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(Br)CNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000797715519 939176395 /nfs/dbraw/zinc/17/63/95/939176395.db2.gz PBHOZHZDZHAWOH-GFCCVEGCSA-N -1 0 341.205 2.637 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)c1 ZINC000797737337 939199932 /nfs/dbraw/zinc/19/99/32/939199932.db2.gz XXALUHBIHDDIGQ-INIZCTEOSA-N -1 0 342.326 2.763 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000797756808 939211469 /nfs/dbraw/zinc/21/14/69/939211469.db2.gz MQYVZDQIBDRRHI-OAHLLOKOSA-N -1 0 327.340 2.594 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)c1ccccc1 ZINC000929045831 939801945 /nfs/dbraw/zinc/80/19/45/939801945.db2.gz SBFAPJQMABIKRU-IXDOHACOSA-N -1 0 346.427 2.873 20 30 EFEDRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)c1 ZINC001611146390 970911470 /nfs/dbraw/zinc/91/14/70/970911470.db2.gz LELRVWKFWILJAC-DLBZAZTESA-N -1 0 336.338 2.536 20 30 EFEDRM N#Cc1ccc(-c2ccc(OC(=O)c3cnc(C(=O)[O-])cn3)cc2)cc1 ZINC001611295833 970979738 /nfs/dbraw/zinc/97/97/38/970979738.db2.gz LPOGAMVFHWMNGC-UHFFFAOYSA-N -1 0 345.314 2.933 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001611299583 970982394 /nfs/dbraw/zinc/98/23/94/970982394.db2.gz JJMWODCJAOSOCA-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#CCSc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000324018440 971074935 /nfs/dbraw/zinc/07/49/35/971074935.db2.gz LJOASCFUUDVSQW-OAHLLOKOSA-N -1 0 340.404 2.728 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001602679076 971258256 /nfs/dbraw/zinc/25/82/56/971258256.db2.gz KBWAZUQCSIAQSJ-OAHLLOKOSA-N -1 0 349.386 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001602679675 971261214 /nfs/dbraw/zinc/26/12/14/971261214.db2.gz VPFCZNKHJDOSKB-GHXNOFRVSA-N -1 0 347.239 2.701 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC001602683093 971272183 /nfs/dbraw/zinc/27/21/83/971272183.db2.gz YOOVXCJITHVLTB-UHFFFAOYSA-N -1 0 332.787 2.621 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC001602683574 971274113 /nfs/dbraw/zinc/27/41/13/971274113.db2.gz FWBXYFREVDKEAR-YJBOKZPZSA-N -1 0 328.412 2.676 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ncc(-c2ccccc2C)s1 ZINC001602688833 971292449 /nfs/dbraw/zinc/29/24/49/971292449.db2.gz XIOFCFVSFXYUKS-UHFFFAOYSA-N -1 0 329.381 2.670 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1oc2ccccc2c1COC(C)C ZINC001602692030 971299894 /nfs/dbraw/zinc/29/98/94/971299894.db2.gz BMSPILQZWWZYGU-UHFFFAOYSA-N -1 0 329.352 2.518 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2F)nc1C ZINC001602692715 971305007 /nfs/dbraw/zinc/30/50/07/971305007.db2.gz WTFUWLSTJTWAQZ-UHFFFAOYSA-N -1 0 346.383 2.726 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001602704464 971334291 /nfs/dbraw/zinc/33/42/91/971334291.db2.gz GOEBLZNVHBOCJS-KFZJALRRSA-N -1 0 326.396 2.791 20 30 EFEDRM C=C(C)Cn1c(C2CC2)nnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602710045 971348993 /nfs/dbraw/zinc/34/89/93/971348993.db2.gz OTLLPQGFXPSFMZ-INIZCTEOSA-N -1 0 338.411 2.920 20 30 EFEDRM C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602711954 971352451 /nfs/dbraw/zinc/35/24/51/971352451.db2.gz CRQFNMVLYANTEP-INIZCTEOSA-N -1 0 340.427 2.550 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001602712081 971353394 /nfs/dbraw/zinc/35/33/94/971353394.db2.gz GEDDFOLZOBXZMK-CQSZACIVSA-N -1 0 345.395 2.566 20 30 EFEDRM C=CCCCCCN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602718811 971377260 /nfs/dbraw/zinc/37/72/60/971377260.db2.gz BMFKXPBRFCKLMN-KRWDZBQOSA-N -1 0 343.427 2.911 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602718993 971379597 /nfs/dbraw/zinc/37/95/97/971379597.db2.gz JKTAEMVQWYAQJF-DIODGJHASA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001602721969 971384513 /nfs/dbraw/zinc/38/45/13/971384513.db2.gz LDESALMHKVSQJH-BBRMVZONSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001602721970 971384612 /nfs/dbraw/zinc/38/46/12/971384612.db2.gz LDESALMHKVSQJH-CJNGLKHVSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001602722013 971386186 /nfs/dbraw/zinc/38/61/86/971386186.db2.gz OPMUHHQOIMGPDH-OAHLLOKOSA-N -1 0 339.457 2.830 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001602722724 971388966 /nfs/dbraw/zinc/38/89/66/971388966.db2.gz JWOHMAPQAVJDFU-UHFFFAOYSA-N -1 0 328.368 2.918 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001602722787 971388977 /nfs/dbraw/zinc/38/89/77/971388977.db2.gz PMWCFBMLORAKLU-CQSZACIVSA-N -1 0 329.805 2.550 20 30 EFEDRM C=CCNc1ncc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC001602722945 971390942 /nfs/dbraw/zinc/39/09/42/971390942.db2.gz BWRYLGSQEJKQBD-NSHDSACASA-N -1 0 325.434 2.608 20 30 EFEDRM CC(=NNc1cccc(Cl)c1Cl)c1cn(CC(=O)[O-])nn1 ZINC001602737839 971433247 /nfs/dbraw/zinc/43/32/47/971433247.db2.gz WRFWSOUAPYPXQG-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM C=C(C)[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001602746380 971450617 /nfs/dbraw/zinc/45/06/17/971450617.db2.gz BWIHCKDGZYSJOA-CQSZACIVSA-N -1 0 333.294 2.500 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1csc2ccccc12 ZINC001602781702 971525319 /nfs/dbraw/zinc/52/53/19/971525319.db2.gz GFBCHCFLCHTKRU-MRXNPFEDSA-N -1 0 331.349 2.632 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001602781489 971524793 /nfs/dbraw/zinc/52/47/93/971524793.db2.gz AHAJALBTFYYYPF-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001602781941 971527449 /nfs/dbraw/zinc/52/74/49/971527449.db2.gz LGBQYFULCOSARW-ZDUSSCGKSA-N -1 0 341.245 2.790 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC001589596311 949148332 /nfs/dbraw/zinc/14/83/32/949148332.db2.gz KMLCOSBIVFNZJH-LPHOPBHVSA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001602800063 971572077 /nfs/dbraw/zinc/57/20/77/971572077.db2.gz CJNCUORPJZHXTO-GUYCJALGSA-N -1 0 338.363 2.667 20 30 EFEDRM CCCCCCCC[C@@H](C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589645377 949724567 /nfs/dbraw/zinc/72/45/67/949724567.db2.gz YTWGGTSAGMTSNW-VKJFTORMSA-N -1 0 325.449 2.933 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001602861407 971720732 /nfs/dbraw/zinc/72/07/32/971720732.db2.gz WDMQOIYHVXTMIV-OAHLLOKOSA-N -1 0 332.400 2.527 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001592343449 951325732 /nfs/dbraw/zinc/32/57/32/951325732.db2.gz TTWMDIKXZDUWSC-UONOGXRCSA-N -1 0 343.383 2.531 20 30 EFEDRM CCOc1ccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OCC ZINC001592426149 951329994 /nfs/dbraw/zinc/32/99/94/951329994.db2.gz NGJJRIHGAWQJNO-KZULUSFZSA-N -1 0 348.399 2.666 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589268343 953385550 /nfs/dbraw/zinc/38/55/50/953385550.db2.gz KXONHXFSTSHCPK-KMFMINBZSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001602959039 971940269 /nfs/dbraw/zinc/94/02/69/971940269.db2.gz QZWFZMXTZXPSJF-UHFFFAOYSA-N -1 0 327.340 2.762 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589298522 953669463 /nfs/dbraw/zinc/66/94/63/953669463.db2.gz ATGMYMWZSRMNAL-DGCLKSJQSA-N -1 0 339.313 2.769 20 30 EFEDRM CON=Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000588508334 953737835 /nfs/dbraw/zinc/73/78/35/953737835.db2.gz KGSWPWSXFQQWQX-JYJNAYRXSA-N -1 0 330.384 2.525 20 30 EFEDRM CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C(C)(C)CC#N ZINC001593660828 953798754 /nfs/dbraw/zinc/79/87/54/953798754.db2.gz SLOFTLINPNIGLP-UHFFFAOYSA-N -1 0 333.436 2.570 20 30 EFEDRM C[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC001589325013 953893230 /nfs/dbraw/zinc/89/32/30/953893230.db2.gz FNJUOOHCJHKUST-BLLLJJGKSA-N -1 0 332.425 2.503 20 30 EFEDRM C[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC001589325014 953893656 /nfs/dbraw/zinc/89/36/56/953893656.db2.gz FNJUOOHCJHKUST-LRDDRELGSA-N -1 0 332.425 2.503 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2ccc(Cl)cc2s1 ZINC001593676107 953928064 /nfs/dbraw/zinc/92/80/64/953928064.db2.gz JYOASMTYZSEGFW-AWEZNQCLSA-N -1 0 337.788 2.917 20 30 EFEDRM O=C([O-])[C@@]1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCO1 ZINC001594870879 954353574 /nfs/dbraw/zinc/35/35/74/954353574.db2.gz CHRNTJHDIDRNBC-FQEVSTJZSA-N -1 0 335.359 2.659 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001589426749 954631743 /nfs/dbraw/zinc/63/17/43/954631743.db2.gz PDWFDWQRICZMSU-KXBFYZLASA-N -1 0 342.395 2.795 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819865192 955459668 /nfs/dbraw/zinc/45/96/68/955459668.db2.gz ITFWOXOYUUXERH-GOSISDBHSA-N -1 0 331.368 2.715 20 30 EFEDRM Cn1cc(-c2csc(NC(=O)CC(C)(C)C#N)c2C(=O)[O-])cn1 ZINC001594523277 955473424 /nfs/dbraw/zinc/47/34/24/955473424.db2.gz UVKBYMSIMKRFLU-UHFFFAOYSA-N -1 0 332.385 2.725 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000823391149 955529310 /nfs/dbraw/zinc/52/93/10/955529310.db2.gz QZWJZLZXXLZNCX-WVYYZCOMSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000831082110 955551856 /nfs/dbraw/zinc/55/18/56/955551856.db2.gz AWDZYNBDUOTQGD-CVEARBPZSA-N -1 0 332.400 2.959 20 30 EFEDRM C[C@@](CNC(=O)[C@@H](CC#N)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589040388 955592285 /nfs/dbraw/zinc/59/22/85/955592285.db2.gz WGYOTQDOSUFWQT-PXNSSMCTSA-N -1 0 336.391 2.843 20 30 EFEDRM C[C@@](CNC(=O)Nc1cccc(CC#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589058373 955716094 /nfs/dbraw/zinc/71/60/94/955716094.db2.gz ZCFFMRQXGWCPAD-IBGZPJMESA-N -1 0 337.379 2.917 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000848450350 955736096 /nfs/dbraw/zinc/73/60/96/955736096.db2.gz ASCFUXUOFZDOAC-HEWZJLJBSA-N -1 0 347.411 2.746 20 30 EFEDRM C[C@@](CNC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589063758 955736432 /nfs/dbraw/zinc/73/64/32/955736432.db2.gz CUOCVFULXWSCFI-SFHVURJKSA-N -1 0 342.782 2.984 20 30 EFEDRM N#C[C@H](C(=O)C1(C(=O)[O-])CC=CC1)c1nccn1Cc1ccccc1 ZINC001594602268 956144124 /nfs/dbraw/zinc/14/41/24/956144124.db2.gz USHASXYEXGHMJC-OAHLLOKOSA-N -1 0 335.363 2.529 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC001594602347 956145393 /nfs/dbraw/zinc/14/53/93/956145393.db2.gz VKCYEPRSNXZBCS-CYBMUJFWSA-N -1 0 335.319 2.516 20 30 EFEDRM N#C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1Br ZINC001594602493 956147191 /nfs/dbraw/zinc/14/71/91/956147191.db2.gz XJNLCQWNDISFQW-GFCCVEGCSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001594605437 956166673 /nfs/dbraw/zinc/16/66/73/956166673.db2.gz BSTUMQRPMLDDRS-QGZVFWFLSA-N -1 0 338.363 2.925 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594610498 956203959 /nfs/dbraw/zinc/20/39/59/956203959.db2.gz WYFFAFPTGQRZQI-QWHCGFSZSA-N -1 0 348.424 2.901 20 30 EFEDRM N#CCOc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001594611174 956210361 /nfs/dbraw/zinc/21/03/61/956210361.db2.gz IOBQQDRZYDPPRW-CYBMUJFWSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594611230 956211860 /nfs/dbraw/zinc/21/18/60/956211860.db2.gz OWPWVTZLOARHKB-GOSISDBHSA-N -1 0 334.375 2.506 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001593934382 956212419 /nfs/dbraw/zinc/21/24/19/956212419.db2.gz VOCUZPPMULVQAQ-SFHVURJKSA-N -1 0 341.319 2.746 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)C2 ZINC001594611349 956214196 /nfs/dbraw/zinc/21/41/96/956214196.db2.gz SEWCIPXSBSYEGT-SNAWJCMRSA-N -1 0 336.347 2.642 20 30 EFEDRM N#CCc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594611490 956215315 /nfs/dbraw/zinc/21/53/15/956215315.db2.gz VAUWRNZXJYMMKU-ZWKOTPCHSA-N -1 0 334.375 2.693 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594611528 956217076 /nfs/dbraw/zinc/21/70/76/956217076.db2.gz SNTCPCSZBFBSPH-HNNXBMFYSA-N -1 0 344.367 2.997 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594618087 956259097 /nfs/dbraw/zinc/25/90/97/956259097.db2.gz BZSHIDLOEDVEAB-QZTJIDSGSA-N -1 0 334.375 2.920 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001594618194 956261425 /nfs/dbraw/zinc/26/14/25/956261425.db2.gz IGTUPRVRSHJTQH-GOSISDBHSA-N -1 0 334.375 2.701 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594619954 956272453 /nfs/dbraw/zinc/27/24/53/956272453.db2.gz UFDHKPDBBMVQRD-CQSZACIVSA-N -1 0 339.326 2.913 20 30 EFEDRM N#Cc1ccc(F)c(COC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001594620009 956273169 /nfs/dbraw/zinc/27/31/69/956273169.db2.gz WIPDGEVSQBPHIW-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc21 ZINC000899315968 956285754 /nfs/dbraw/zinc/28/57/54/956285754.db2.gz AKDQEJJMPQXWIQ-UHFFFAOYSA-N -1 0 330.388 2.987 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc21 ZINC000899316684 956287224 /nfs/dbraw/zinc/28/72/24/956287224.db2.gz HQTQAGWMPOGDSX-QGZVFWFLSA-N -1 0 328.372 2.551 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)CCCC(=O)[O-])c2)nc1 ZINC001594625358 956309030 /nfs/dbraw/zinc/30/90/30/956309030.db2.gz NMJYDVLMGWVTBW-UHFFFAOYSA-N -1 0 325.324 2.939 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccn2)c1Br ZINC001594626138 956316100 /nfs/dbraw/zinc/31/61/00/956316100.db2.gz UIGNWDJDBUWPMA-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594627102 956321507 /nfs/dbraw/zinc/32/15/07/956321507.db2.gz LZXMLKXSWFSSGU-GUYCJALGSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001594628485 956331264 /nfs/dbraw/zinc/33/12/64/956331264.db2.gz XKXRDIJCRGRXRH-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c3ccccc31)C2 ZINC001594628663 956335321 /nfs/dbraw/zinc/33/53/21/956335321.db2.gz IZPMFKRYQPNEEI-WMZOPIPTSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594628927 956339428 /nfs/dbraw/zinc/33/94/28/956339428.db2.gz WTUZKDTWHGQPJA-AWEZNQCLSA-N -1 0 348.280 2.731 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC000901569714 956343270 /nfs/dbraw/zinc/34/32/70/956343270.db2.gz PNJKTQLBUUFXMK-GOSISDBHSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594631842 956347062 /nfs/dbraw/zinc/34/70/62/956347062.db2.gz OOXFSPSTTBYTRS-CYBMUJFWSA-N -1 0 327.365 2.836 20 30 EFEDRM N#Cc1cnc(N2CCC[C@H](CCC(=O)[O-])C2)c(Br)c1 ZINC001594632830 956354373 /nfs/dbraw/zinc/35/43/73/956354373.db2.gz DLTCQCTVJCCVFG-SNVBAGLBSA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1sc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)nc1Cl ZINC001594635046 956366833 /nfs/dbraw/zinc/36/68/33/956366833.db2.gz HQSZSGCMEJCCLS-MRVPVSSYSA-N -1 0 342.808 2.777 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901734837 956446519 /nfs/dbraw/zinc/44/65/19/956446519.db2.gz YKUJIAJYLLLZNI-IRXDYDNUSA-N -1 0 331.412 2.514 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901734834 956447065 /nfs/dbraw/zinc/44/70/65/956447065.db2.gz YKUJIAJYLLLZNI-DLBZAZTESA-N -1 0 331.412 2.514 20 30 EFEDRM C[C@@]1(C#N)CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001589181495 956524462 /nfs/dbraw/zinc/52/44/62/956524462.db2.gz JZRBUJKSKIVQNU-KDOFPFPSSA-N -1 0 331.416 2.706 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Cc3ccccc3C(=O)[O-])CCC2)cc1 ZINC000902033191 956623683 /nfs/dbraw/zinc/62/36/83/956623683.db2.gz PAEHUOABSUKBRE-UHFFFAOYSA-N -1 0 334.375 2.995 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000902058686 956634214 /nfs/dbraw/zinc/63/42/14/956634214.db2.gz OQOGYLMMCIVBEL-UHFFFAOYSA-N -1 0 328.412 2.821 20 30 EFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000902247192 956686959 /nfs/dbraw/zinc/68/69/59/956686959.db2.gz RVFYWFSJUVDQMT-UHFFFAOYSA-N -1 0 340.423 2.774 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001589220264 956766797 /nfs/dbraw/zinc/76/67/97/956766797.db2.gz ZZMMLHYRRMMZQU-CQSZACIVSA-N -1 0 337.719 2.559 20 30 EFEDRM COCCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593995480 956885869 /nfs/dbraw/zinc/88/58/69/956885869.db2.gz BGXBPGORFXWULY-UHFFFAOYSA-N -1 0 338.363 2.858 20 30 EFEDRM CC(C)CN(CCC#N)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904189209 956916481 /nfs/dbraw/zinc/91/64/81/956916481.db2.gz FDNHQRJHOYIAMK-UHFFFAOYSA-N -1 0 333.432 2.952 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC000013310300 957017312 /nfs/dbraw/zinc/01/73/12/957017312.db2.gz FGXYJUHGYGSLTE-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM N#CCCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000926198889 957146929 /nfs/dbraw/zinc/14/69/29/957146929.db2.gz MDGJQRMUTSWCIX-JKSUJKDBSA-N -1 0 327.384 2.717 20 30 EFEDRM C=CCCSCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001263070709 957288852 /nfs/dbraw/zinc/28/88/52/957288852.db2.gz GALHDAGMSFBCFF-HNNXBMFYSA-N -1 0 334.441 2.689 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)n1 ZINC001594274086 957701029 /nfs/dbraw/zinc/70/10/29/957701029.db2.gz PQSCYYRJYJWLQN-FNORWQNLSA-N -1 0 337.335 2.762 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594274037 957701550 /nfs/dbraw/zinc/70/15/50/957701550.db2.gz MFPDHQZEGGMDBR-HXUWFJFHSA-N -1 0 336.391 2.947 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 ZINC001594281579 957751948 /nfs/dbraw/zinc/75/19/48/957751948.db2.gz VWJNHPDEWWJIJM-CQSZACIVSA-N -1 0 338.367 2.501 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC001594284868 957767548 /nfs/dbraw/zinc/76/75/48/957767548.db2.gz PQROVMSELIZIMF-UHFFFAOYSA-N -1 0 349.390 2.527 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594049087 957960528 /nfs/dbraw/zinc/96/05/28/957960528.db2.gz CZEQQAGINIQBLA-CYBMUJFWSA-N -1 0 333.388 2.968 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588371971 957964962 /nfs/dbraw/zinc/96/49/62/957964962.db2.gz AWMXSAFUHOGZEN-BBRMVZONSA-N -1 0 332.375 2.786 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC001588385294 957970246 /nfs/dbraw/zinc/97/02/46/957970246.db2.gz CPCDSAJRHUIYQA-BVUBDWEXSA-N -1 0 328.412 2.796 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603200204 972308272 /nfs/dbraw/zinc/30/82/72/972308272.db2.gz XRPLJMWMBZAKGX-VBKZILBWSA-N -1 0 336.391 2.853 20 30 EFEDRM COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1C#N ZINC001594051004 957990648 /nfs/dbraw/zinc/99/06/48/957990648.db2.gz WLRHDPPFFQKINM-CVEARBPZSA-N -1 0 336.347 2.610 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341432185 957994016 /nfs/dbraw/zinc/99/40/16/957994016.db2.gz JZISTWRUEKBMOA-ZFVVBOAOSA-N -1 0 344.411 2.580 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001588395020 958035777 /nfs/dbraw/zinc/03/57/77/958035777.db2.gz AWGHMIOALMSLDB-XOKHGSTOSA-N -1 0 343.423 2.954 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCc2ccccc21 ZINC001588396689 958052059 /nfs/dbraw/zinc/05/20/59/958052059.db2.gz XWDSHPXUWMEMFD-SFHVURJKSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001588399224 958071294 /nfs/dbraw/zinc/07/12/94/958071294.db2.gz HNHZATJRLUMVLU-NEPJUHHUSA-N -1 0 326.179 2.643 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC001588401760 958084502 /nfs/dbraw/zinc/08/45/02/958084502.db2.gz BTWRUKAPOLHAEV-UHFFFAOYSA-N -1 0 330.409 2.556 20 30 EFEDRM Cc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C#N)cc1N(C)C ZINC001594319644 958114099 /nfs/dbraw/zinc/11/40/99/958114099.db2.gz JPOICWSZNQNCKP-CQSZACIVSA-N -1 0 346.431 2.801 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC001588409130 958124737 /nfs/dbraw/zinc/12/47/37/958124737.db2.gz RUSLRSFOYCFZJP-UHFFFAOYSA-N -1 0 328.412 2.964 20 30 EFEDRM COc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(F)cc1C#N ZINC001594065588 958128904 /nfs/dbraw/zinc/12/89/04/958128904.db2.gz LMNATBBXZSEKKT-IHWYPQMZSA-N -1 0 330.271 2.649 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001588409534 958129708 /nfs/dbraw/zinc/12/97/08/958129708.db2.gz ZDLLAVYESJZKTN-VIFPVBQESA-N -1 0 329.183 2.784 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001588409918 958133946 /nfs/dbraw/zinc/13/39/46/958133946.db2.gz MJZQCOQUYVNXBH-LBPRGKRZSA-N -1 0 346.280 2.549 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC001588417379 958171418 /nfs/dbraw/zinc/17/14/18/958171418.db2.gz LJSAKLGFXRFJLH-HNNXBMFYSA-N -1 0 337.375 2.667 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC001588417535 958174852 /nfs/dbraw/zinc/17/48/52/958174852.db2.gz UOWMXHRFXRETOM-UHFFFAOYSA-N -1 0 328.755 2.562 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccc(F)c(C)c2)nc1C ZINC001588418478 958179433 /nfs/dbraw/zinc/17/94/33/958179433.db2.gz HZGQHIMLIYHMMY-UHFFFAOYSA-N -1 0 346.383 2.726 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001588418711 958183685 /nfs/dbraw/zinc/18/36/85/958183685.db2.gz FBVUVHMQDVILOP-UHFFFAOYSA-N -1 0 329.396 2.806 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc2cccc(Br)c21 ZINC001588418833 958186842 /nfs/dbraw/zinc/18/68/42/958186842.db2.gz GUJGHKSJXDEKHY-UHFFFAOYSA-N -1 0 346.180 2.762 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594075431 958219188 /nfs/dbraw/zinc/21/91/88/958219188.db2.gz ZYGJIMBRVOICPZ-HNNXBMFYSA-N -1 0 325.324 2.514 20 30 EFEDRM COc1ccc([C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2CCC2)cc1 ZINC001594080891 958266207 /nfs/dbraw/zinc/26/62/07/958266207.db2.gz VCXFXOJIUIVWOR-AEFFLSMTSA-N -1 0 330.384 2.657 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588432436 958282884 /nfs/dbraw/zinc/28/28/84/958282884.db2.gz UAEDPILSVAHPGT-BQYQJAHWSA-N -1 0 327.311 2.792 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)nc1 ZINC001588438934 958307610 /nfs/dbraw/zinc/30/76/10/958307610.db2.gz KIPGCFKEPOPFKV-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001594342882 958310467 /nfs/dbraw/zinc/31/04/67/958310467.db2.gz AQUYLBNNPRZTLU-DQUAULGOSA-N -1 0 343.423 2.986 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001594342918 958311566 /nfs/dbraw/zinc/31/15/66/958311566.db2.gz FBSGRLAODNKNCH-DOJUMQAQSA-N -1 0 349.386 2.945 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001594342920 958312114 /nfs/dbraw/zinc/31/21/14/958312114.db2.gz FBSGRLAODNKNCH-RXQFDZFGSA-N -1 0 349.386 2.945 20 30 EFEDRM C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588443618 958355315 /nfs/dbraw/zinc/35/53/15/958355315.db2.gz UJPKMFCVEWJAFW-UHFFFAOYSA-N -1 0 341.415 2.607 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588443641 958355362 /nfs/dbraw/zinc/35/53/62/958355362.db2.gz VKAUGMOZIRSOCA-CQSZACIVSA-N -1 0 326.400 2.741 20 30 EFEDRM C=C(CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588445953 958378391 /nfs/dbraw/zinc/37/83/91/958378391.db2.gz WWSNORDDNQYBNA-SFHVURJKSA-N -1 0 349.390 2.536 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588453478 958439408 /nfs/dbraw/zinc/43/94/08/958439408.db2.gz YBWBDKYKALOTRW-OAHLLOKOSA-N -1 0 333.453 2.888 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588457012 958441096 /nfs/dbraw/zinc/44/10/96/958441096.db2.gz FZTZHCLSQNFXMQ-QMMMGPOBSA-N -1 0 330.743 2.626 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588457064 958443488 /nfs/dbraw/zinc/44/34/88/958443488.db2.gz ICVUEPROPMMSCX-TXKKKEFDSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588457444 958451262 /nfs/dbraw/zinc/45/12/62/958451262.db2.gz ABSOWEBUDIQVBC-OLZOCXBDSA-N -1 0 334.420 2.959 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccnc1-c1ccc(C)s1 ZINC001573317638 958454670 /nfs/dbraw/zinc/45/46/70/958454670.db2.gz LRDOBEDNWMXFPH-UHFFFAOYSA-N -1 0 329.381 2.670 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001573318282 958462305 /nfs/dbraw/zinc/46/23/05/958462305.db2.gz UREOVIKGFBURIA-DIOULYMOSA-N -1 0 334.803 2.767 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588458811 958466000 /nfs/dbraw/zinc/46/60/00/958466000.db2.gz UCRDYCJIIGKGSS-PBHICJAKSA-N -1 0 341.411 2.663 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001573319315 958471503 /nfs/dbraw/zinc/47/15/03/958471503.db2.gz WSIZYOMQZRRFON-XYOKQWHBSA-N -1 0 329.249 2.562 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1c(C)cc(C)c(Br)c1C ZINC001573319423 958471942 /nfs/dbraw/zinc/47/19/42/958471942.db2.gz CTSLKKURECNTMY-UHFFFAOYSA-N -1 0 338.201 2.534 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001573319542 958473120 /nfs/dbraw/zinc/47/31/20/958473120.db2.gz YBPMVLOAEVKBIM-QWHCGFSZSA-N -1 0 326.179 2.643 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)nn1 ZINC001588460414 958474546 /nfs/dbraw/zinc/47/45/46/958474546.db2.gz FUAJSFFEXRHXFZ-UHFFFAOYSA-N -1 0 346.412 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1Oc1ccccc1C#N ZINC001573321624 958482586 /nfs/dbraw/zinc/48/25/86/958482586.db2.gz ZVJKIHBWWAVQKA-UHFFFAOYSA-N -1 0 334.331 2.511 20 30 EFEDRM C=CCOCCCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001588465019 958494829 /nfs/dbraw/zinc/49/48/29/958494829.db2.gz CMKHWQXTZRNYDC-UHFFFAOYSA-N -1 0 349.412 2.768 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001573328119 958496517 /nfs/dbraw/zinc/49/65/17/958496517.db2.gz BBCTYFSBDXVFSJ-MRXNPFEDSA-N -1 0 331.368 2.745 20 30 EFEDRM C=CCC1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CCCC1 ZINC001573328677 958501189 /nfs/dbraw/zinc/50/11/89/958501189.db2.gz LUYZUZMYIJNEAP-MRXNPFEDSA-N -1 0 341.411 2.711 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588466218 958508189 /nfs/dbraw/zinc/50/81/89/958508189.db2.gz ABWWVPXDTYIQBP-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)cc21 ZINC001573336620 958519712 /nfs/dbraw/zinc/51/97/12/958519712.db2.gz FEHMQWMSCPPKIR-JSGCOSHPSA-N -1 0 342.399 2.939 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588470112 958522812 /nfs/dbraw/zinc/52/28/12/958522812.db2.gz DEUXOMPOXCNAJX-UHFFFAOYSA-N -1 0 326.400 2.741 20 30 EFEDRM C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470119 958523878 /nfs/dbraw/zinc/52/38/78/958523878.db2.gz DMVNNUFHHLBRMC-ZDUSSCGKSA-N -1 0 338.367 2.788 20 30 EFEDRM C=CCn1c([C@H](CC)OCC)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588470956 958532095 /nfs/dbraw/zinc/53/20/95/958532095.db2.gz XYZJBHKKMDEHCR-ZDUSSCGKSA-N -1 0 336.436 2.643 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001588473032 958550118 /nfs/dbraw/zinc/55/01/18/958550118.db2.gz WHRJBVWYJOMLBW-UPJWGTAASA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001588473307 958550205 /nfs/dbraw/zinc/55/02/05/958550205.db2.gz XVNVEEQYXODZDX-XQQFMLRXSA-N -1 0 336.461 2.579 20 30 EFEDRM Cc1cccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001594390441 958708343 /nfs/dbraw/zinc/70/83/43/958708343.db2.gz QPNGCBJKAZYREA-GUYCJALGSA-N -1 0 338.363 2.576 20 30 EFEDRM Cc1cccc([C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594397891 958789826 /nfs/dbraw/zinc/78/98/26/958789826.db2.gz ODPFGOOXABHZER-MRXNPFEDSA-N -1 0 325.324 2.690 20 30 EFEDRM Cc1cccc([C@H](NC(=O)Nc2cccc(OCC#N)c2)C(=O)[O-])c1 ZINC001594398250 958797775 /nfs/dbraw/zinc/79/77/75/958797775.db2.gz SYQIUOSBDNMTTK-INIZCTEOSA-N -1 0 339.351 2.845 20 30 EFEDRM Cc1cccc([C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C(=O)[O-])c1 ZINC001594398955 958816358 /nfs/dbraw/zinc/81/63/58/958816358.db2.gz ZKHRZGCGBZDGRY-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM CC(=O)c1ccc(C#N)c(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001588528351 958885515 /nfs/dbraw/zinc/88/55/15/958885515.db2.gz IWMOSFUCDUMHKE-CSLYMUCUSA-N -1 0 328.368 2.585 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1C#N ZINC001573457554 958907264 /nfs/dbraw/zinc/90/72/64/958907264.db2.gz HPELOFLTGDVRTN-CYBMUJFWSA-N -1 0 331.372 2.816 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001588538142 958939477 /nfs/dbraw/zinc/93/94/77/958939477.db2.gz CWOSFEOQBDEPNA-KSSFIOAISA-N -1 0 340.383 2.621 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Br)c1F ZINC001588539979 958956763 /nfs/dbraw/zinc/95/67/63/958956763.db2.gz JHADAXDCDWGOJD-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001588540175 958957838 /nfs/dbraw/zinc/95/78/38/958957838.db2.gz QXNKMFMJVIEYSV-KRWDZBQOSA-N -1 0 326.352 2.958 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001588540176 958958216 /nfs/dbraw/zinc/95/82/16/958958216.db2.gz QXNKMFMJVIEYSV-QGZVFWFLSA-N -1 0 326.352 2.958 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001588542143 958969261 /nfs/dbraw/zinc/96/92/61/958969261.db2.gz SLMQDZIVMHOKRB-MRXNPFEDSA-N -1 0 347.371 2.570 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001588542326 958970929 /nfs/dbraw/zinc/97/09/29/958970929.db2.gz WWARKYXXQHMJDY-INIZCTEOSA-N -1 0 335.310 2.657 20 30 EFEDRM C[C@@H](C#N)C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588544036 958987038 /nfs/dbraw/zinc/98/70/38/958987038.db2.gz XZZJJGITOVXFJM-WPRPVWTQSA-N -1 0 337.173 2.514 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588545405 958996401 /nfs/dbraw/zinc/99/64/01/958996401.db2.gz SROUOBRZNSTIAX-JMEBYUIHSA-N -1 0 326.308 2.921 20 30 EFEDRM CC(C)OCCOCc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001573549437 959226448 /nfs/dbraw/zinc/22/64/48/959226448.db2.gz IDRUWXNLRJZBHB-SFHVURJKSA-N -1 0 348.399 2.571 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001594227644 959440738 /nfs/dbraw/zinc/44/07/38/959440738.db2.gz BDOTWPSHXZNTBA-ZMZPIMSZSA-N -1 0 337.335 2.795 20 30 EFEDRM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573621071 959513275 /nfs/dbraw/zinc/51/32/75/959513275.db2.gz XTTRYTGBAJUIEW-ZMLRMANQSA-N -1 0 333.363 2.954 20 30 EFEDRM CC(C)(C(=O)Nc1cncc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001588611515 959513878 /nfs/dbraw/zinc/51/38/78/959513878.db2.gz SZSGULLNXPGCRS-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000208017896 959665159 /nfs/dbraw/zinc/66/51/59/959665159.db2.gz SXGFSUSBUWHGHB-TWGQIWQCSA-N -1 0 327.292 2.954 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001573668024 959714710 /nfs/dbraw/zinc/71/47/10/959714710.db2.gz QXOBHOAKQLHUGA-CQSZACIVSA-N -1 0 337.173 2.760 20 30 EFEDRM Cc1c(NC(=O)[C@H](C(=O)[O-])C(C)C)ccc(Br)c1C#N ZINC001594263417 959724379 /nfs/dbraw/zinc/72/43/79/959724379.db2.gz RIPNSRJLVIAXJI-GFCCVEGCSA-N -1 0 339.189 2.925 20 30 EFEDRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C2CC2)ccc(Br)c1C#N ZINC001594263369 959724535 /nfs/dbraw/zinc/72/45/35/959724535.db2.gz OSBVHZZGOIMSRD-LBPRGKRZSA-N -1 0 337.173 2.679 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588645496 959732722 /nfs/dbraw/zinc/73/27/22/959732722.db2.gz OVTJOHOGBWNJRK-HOTGVXAUSA-N -1 0 341.411 2.636 20 30 EFEDRM COCCN(CCC#N)Cc1ccc(C(=O)[O-])cc1Br ZINC000226730372 959899890 /nfs/dbraw/zinc/89/98/90/959899890.db2.gz RAGSMNPTXNZHJI-UHFFFAOYSA-N -1 0 341.205 2.509 20 30 EFEDRM CCCCCCCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001191111738 960558611 /nfs/dbraw/zinc/55/86/11/960558611.db2.gz SCSVSDSJMNHTRX-UHFFFAOYSA-N -1 0 335.404 2.593 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198766171 960579320 /nfs/dbraw/zinc/57/93/20/960579320.db2.gz BRIDWVPAOQLPGH-UHFFFAOYSA-N -1 0 331.393 2.762 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1C#N ZINC001588734301 961119320 /nfs/dbraw/zinc/11/93/20/961119320.db2.gz HPELOFLTGDVRTN-ZDUSSCGKSA-N -1 0 331.372 2.816 20 30 EFEDRM C=CCO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001328744526 961223834 /nfs/dbraw/zinc/22/38/34/961223834.db2.gz NLRFUCNUJKZSCO-ZDUSSCGKSA-N -1 0 340.217 2.924 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588758315 961235727 /nfs/dbraw/zinc/23/57/27/961235727.db2.gz OTVKVXFZTMIQRE-CABCVRRESA-N -1 0 329.400 2.929 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCCCCC(=O)[O-] ZINC001588786227 961344433 /nfs/dbraw/zinc/34/44/33/961344433.db2.gz NJCJGNAXRCRNOQ-UHFFFAOYSA-N -1 0 331.416 2.824 20 30 EFEDRM Cc1nc(NC(=O)Cc2ccccc2C(=O)[O-])sc1SCC#N ZINC001574422128 961350409 /nfs/dbraw/zinc/35/04/09/961350409.db2.gz WKLWMVURZZJVMG-UHFFFAOYSA-N -1 0 347.421 2.947 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001588804291 961460836 /nfs/dbraw/zinc/46/08/36/961460836.db2.gz UMBAYHLBLZDBGW-VXGBXAGGSA-N -1 0 344.289 2.623 20 30 EFEDRM CC[S@](=O)(=NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1 ZINC001573929378 961569310 /nfs/dbraw/zinc/56/93/10/961569310.db2.gz ZLBGEWHHQMSEMP-RCDICMHDSA-N -1 0 342.804 2.718 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1F ZINC001574479914 961654504 /nfs/dbraw/zinc/65/45/04/961654504.db2.gz QGFORUHOVWJTRT-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM CCc1ccc(Br)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001573954587 961664755 /nfs/dbraw/zinc/66/47/55/961664755.db2.gz PYGCYGKZMPGGBB-CQSZACIVSA-N -1 0 339.189 2.955 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)CCCCC(=O)[O-])CC2)c(Cl)c1 ZINC001574488209 961693983 /nfs/dbraw/zinc/69/39/83/961693983.db2.gz NIKQLHMETKSYMF-UHFFFAOYSA-N -1 0 349.818 2.505 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001574489173 961702684 /nfs/dbraw/zinc/70/26/84/961702684.db2.gz ZVFVUKPADAHGDL-HUUCEWRRSA-N -1 0 341.392 2.732 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001588835494 961763088 /nfs/dbraw/zinc/76/30/88/961763088.db2.gz JZRXCRGAGVACKP-QRTARXTBSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001588835492 961763123 /nfs/dbraw/zinc/76/31/23/961763123.db2.gz JZRXCRGAGVACKP-LXZKKBNFSA-N -1 0 344.411 2.531 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)n1 ZINC001571164074 961962807 /nfs/dbraw/zinc/96/28/07/961962807.db2.gz BJUGIURSENHGMD-FCMYFTRRSA-N -1 0 325.290 2.883 20 30 EFEDRM CC(C)(C)c1ccc(N=NCc2ccc(OCC(=O)[O-])cc2)nn1 ZINC001339230906 962020987 /nfs/dbraw/zinc/02/09/87/962020987.db2.gz SXCUDUNYTSOCAG-UHFFFAOYSA-N -1 0 328.372 2.684 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)CC3(CC(=O)[O-])CCCC3)nc2c1 ZINC001571171332 962054780 /nfs/dbraw/zinc/05/47/80/962054780.db2.gz VMWUZOXUWSRFHQ-UHFFFAOYSA-N -1 0 326.356 2.798 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001571174174 962081532 /nfs/dbraw/zinc/08/15/32/962081532.db2.gz KJMKZEDKJHMPDE-UHFFFAOYSA-N -1 0 327.315 2.522 20 30 EFEDRM COc1ncc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1C#N ZINC001571174470 962089203 /nfs/dbraw/zinc/08/92/03/962089203.db2.gz WXLQHQGFKCQERR-UHFFFAOYSA-N -1 0 327.300 2.696 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccncc1C#N ZINC001571175030 962093907 /nfs/dbraw/zinc/09/39/07/962093907.db2.gz CPGCTMPYNFDPIZ-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM C[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cccc(C#N)c1 ZINC001571176383 962108259 /nfs/dbraw/zinc/10/82/59/962108259.db2.gz XOPPZNVPSFWYAO-DWQUBVKVSA-N -1 0 327.384 2.658 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001571179779 962141329 /nfs/dbraw/zinc/14/13/29/962141329.db2.gz AWNJZUUEUICYTL-UHFFFAOYSA-N -1 0 328.349 2.643 20 30 EFEDRM CC(C)C[C@@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)[O-] ZINC001588886410 962175925 /nfs/dbraw/zinc/17/59/25/962175925.db2.gz OFNKIVRWIJAOOD-GFCCVEGCSA-N -1 0 339.189 2.550 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(Cl)c1 ZINC001571191611 962265239 /nfs/dbraw/zinc/26/52/39/962265239.db2.gz PFPJMWAWWRWJSW-CYBMUJFWSA-N -1 0 331.130 2.504 20 30 EFEDRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC001574104522 962423393 /nfs/dbraw/zinc/42/33/93/962423393.db2.gz HWHYIMDTRPHUBP-MRXNPFEDSA-N -1 0 340.335 2.697 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588936482 962507874 /nfs/dbraw/zinc/50/78/74/962507874.db2.gz SHQUPDAQAONEBJ-OCCSQVGLSA-N -1 0 345.399 2.920 20 30 EFEDRM N#CC[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001571218207 962528997 /nfs/dbraw/zinc/52/89/97/962528997.db2.gz VYRVINIWYUEDCJ-ROUUACIJSA-N -1 0 334.375 2.894 20 30 EFEDRM C#CCN(C(C)C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001573301457 962628356 /nfs/dbraw/zinc/62/83/56/962628356.db2.gz CHCGBBLEIPNIBT-UHFFFAOYSA-N -1 0 337.422 2.632 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccccc1 ZINC001573301566 962630289 /nfs/dbraw/zinc/63/02/89/962630289.db2.gz ARKUDJRJTURXOX-INIZCTEOSA-N -1 0 343.404 2.654 20 30 EFEDRM C#CCN(C)c1nnc([C@H](C)CC)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573302213 962646701 /nfs/dbraw/zinc/64/67/01/962646701.db2.gz RXJAPGJRXXWJSE-CYBMUJFWSA-N -1 0 341.415 2.999 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1F ZINC001573302468 962653742 /nfs/dbraw/zinc/65/37/42/962653742.db2.gz NHQWWDQUCUGIBX-ZDUSSCGKSA-N -1 0 332.718 2.677 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1F ZINC001573302462 962653937 /nfs/dbraw/zinc/65/39/37/962653937.db2.gz NHQWWDQUCUGIBX-CYBMUJFWSA-N -1 0 332.718 2.677 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001573303034 962668267 /nfs/dbraw/zinc/66/82/67/962668267.db2.gz JLJQYOADVKETDX-INIZCTEOSA-N -1 0 344.798 2.954 20 30 EFEDRM C#C[C@@H](Nc1ncncc1C(=O)[O-])c1ccc(Br)cc1 ZINC001573303175 962671944 /nfs/dbraw/zinc/67/19/44/962671944.db2.gz VZRHQQUNSVGZFP-GFCCVEGCSA-N -1 0 332.157 2.724 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC001573303470 962676917 /nfs/dbraw/zinc/67/69/17/962676917.db2.gz OHOVAOLAZMBEIB-LBPRGKRZSA-N -1 0 329.377 2.630 20 30 EFEDRM C#CCOc1cccc(OC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001573312228 962719068 /nfs/dbraw/zinc/71/90/68/962719068.db2.gz OMCUYTUGMAPTBT-YLJYHZDGSA-N -1 0 336.343 2.863 20 30 EFEDRM C#CCOc1cccc(OC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001573312226 962719208 /nfs/dbraw/zinc/71/92/08/962719208.db2.gz OMCUYTUGMAPTBT-XLIONFOSSA-N -1 0 336.343 2.863 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001573313555 962733265 /nfs/dbraw/zinc/73/32/65/962733265.db2.gz LFJQJPFYRSTOHI-NWDGAFQWSA-N -1 0 339.189 2.905 20 30 EFEDRM C#CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001573317518 962745913 /nfs/dbraw/zinc/74/59/13/962745913.db2.gz CKFDOWGILFHZLH-ZOBUZTSGSA-N -1 0 326.396 2.572 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001573320302 962749399 /nfs/dbraw/zinc/74/93/99/962749399.db2.gz CNENROFZIODZPR-HNNXBMFYSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573321299 962757304 /nfs/dbraw/zinc/75/73/04/962757304.db2.gz KZSMTMQDFBMXLS-ZFWWWQNUSA-N -1 0 333.388 2.557 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(C)cc1Br)C(=O)[O-] ZINC001573321504 962758315 /nfs/dbraw/zinc/75/83/15/962758315.db2.gz NRSGETOYNAQWKD-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)C(=O)[O-] ZINC001573323537 962772589 /nfs/dbraw/zinc/77/25/89/962772589.db2.gz CIMFOJATYKPFDC-CYBMUJFWSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)C(=O)[O-] ZINC001573324372 962782947 /nfs/dbraw/zinc/78/29/47/962782947.db2.gz RCMKZKUDEMBQJC-CQSZACIVSA-N -1 0 345.786 2.946 20 30 EFEDRM C=C(C)CN(CC)c1nnc(CC)n1CC1CCN(C(=O)[O-])CC1 ZINC001573324794 962791374 /nfs/dbraw/zinc/79/13/74/962791374.db2.gz YMYKHXOBBIKRHQ-UHFFFAOYSA-N -1 0 335.452 2.633 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001573325012 962792022 /nfs/dbraw/zinc/79/20/22/962792022.db2.gz BBTATDDUZCEFBC-GOSISDBHSA-N -1 0 345.439 2.966 20 30 EFEDRM C=C(C)CONC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001573325160 962793747 /nfs/dbraw/zinc/79/37/47/962793747.db2.gz FQRORVQIEGQYPW-UHFFFAOYSA-N -1 0 330.344 2.508 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC001573332505 962835753 /nfs/dbraw/zinc/83/57/53/962835753.db2.gz OAQXNEDKEWNOOB-UHFFFAOYSA-N -1 0 340.782 2.549 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001573332618 962838775 /nfs/dbraw/zinc/83/87/75/962838775.db2.gz PNKFWWOJTZMKPX-CYBMUJFWSA-N -1 0 325.405 2.520 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](COC)c1ccc(Cl)cc1 ZINC001573332982 962847774 /nfs/dbraw/zinc/84/77/74/962847774.db2.gz SKEVXFCCFPPWHY-ZDUSSCGKSA-N -1 0 325.792 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC001573336487 962858365 /nfs/dbraw/zinc/85/83/65/962858365.db2.gz CTXDGOSLANBZOW-OAQYLSRUSA-N -1 0 329.805 2.578 20 30 EFEDRM C=C(Cl)Cn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001573343736 962908403 /nfs/dbraw/zinc/90/84/03/962908403.db2.gz JJAJDZVDPLGBEA-NSHDSACASA-N -1 0 326.828 2.629 20 30 EFEDRM C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573343940 962911251 /nfs/dbraw/zinc/91/12/51/962911251.db2.gz MPASCZJEPSSIFR-NSHDSACASA-N -1 0 336.779 2.510 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001573346647 962942433 /nfs/dbraw/zinc/94/24/33/962942433.db2.gz FOEMRVNHXQPLAS-ZCFIWIBFSA-N -1 0 347.140 2.914 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001573346987 962945412 /nfs/dbraw/zinc/94/54/12/962945412.db2.gz IMFYMHJGQSVTDL-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001573357007 963012279 /nfs/dbraw/zinc/01/22/79/963012279.db2.gz IRPQXOUNXKUXDU-HMVFGEFZSA-N -1 0 335.425 2.904 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573357654 963019160 /nfs/dbraw/zinc/01/91/60/963019160.db2.gz QGQDZZSBOLYPHS-IINYFYTJSA-N -1 0 327.327 2.658 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])cc1 ZINC001573360490 963038276 /nfs/dbraw/zinc/03/82/76/963038276.db2.gz QJDURBIVBCGVDO-OAHLLOKOSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001573360811 963042678 /nfs/dbraw/zinc/04/26/78/963042678.db2.gz XSEAVNIZZDBRFN-DLBZAZTESA-N -1 0 347.411 2.935 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(=O)[O-] ZINC001573364695 963049924 /nfs/dbraw/zinc/04/99/24/963049924.db2.gz APRMMGZGVQTXDU-AWEZNQCLSA-N -1 0 345.374 2.925 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001573368708 963086612 /nfs/dbraw/zinc/08/66/12/963086612.db2.gz PMACYPIFCRUDCS-MRXNPFEDSA-N -1 0 346.427 2.894 20 30 EFEDRM N#Cc1ccc(Br)cc1OCc1cccc(C(=O)[O-])n1 ZINC000308023699 963253452 /nfs/dbraw/zinc/25/34/52/963253452.db2.gz VWSAIRIPNBUAAH-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588439516 964029365 /nfs/dbraw/zinc/02/93/65/964029365.db2.gz CKVSLRHYKQRWIK-CVEARBPZSA-N -1 0 348.447 2.805 20 30 EFEDRM C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443460 964061451 /nfs/dbraw/zinc/06/14/51/964061451.db2.gz RKQUYINMQQQJKK-UHFFFAOYSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588443634 964062198 /nfs/dbraw/zinc/06/21/98/964062198.db2.gz VDLLHQRJDZITJG-SUMWQHHRSA-N -1 0 331.420 2.562 20 30 EFEDRM C#CCCN(Cn1ncc2cc(C(=O)[O-])ccc21)CC(F)(F)F ZINC001588446963 964082253 /nfs/dbraw/zinc/08/22/53/964082253.db2.gz APDZSMCOVSRVOD-UHFFFAOYSA-N -1 0 325.290 2.580 20 30 EFEDRM C#CCCCOc1cccnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588447253 964084155 /nfs/dbraw/zinc/08/41/55/964084155.db2.gz VCYQGHXUPYCHQX-UHFFFAOYSA-N -1 0 337.379 2.530 20 30 EFEDRM C#CCCN(CCOC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588447942 964091551 /nfs/dbraw/zinc/09/15/51/964091551.db2.gz URAHWOSMCMLNBR-UHFFFAOYSA-N -1 0 344.436 2.980 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000840990268 969215852 /nfs/dbraw/zinc/21/58/52/969215852.db2.gz DPKUJUWOKWRKRA-IAGOWNOFSA-N -1 0 328.412 2.517 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000853094995 969305446 /nfs/dbraw/zinc/30/54/46/969305446.db2.gz QXCIQCSKNLZMIC-YPMHNXCESA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000853094991 969305630 /nfs/dbraw/zinc/30/56/30/969305630.db2.gz QXCIQCSKNLZMIC-DGCLKSJQSA-N -1 0 331.372 2.600 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001573321175 969807448 /nfs/dbraw/zinc/80/74/48/969807448.db2.gz UYQIQMCRWOLLSL-UHFFFAOYSA-N -1 0 338.285 2.880 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001609691384 970447659 /nfs/dbraw/zinc/44/76/59/970447659.db2.gz LVRHXCBJPXTQNP-KRWDZBQOSA-N -1 0 330.359 2.989 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC001609692904 970451206 /nfs/dbraw/zinc/45/12/06/970451206.db2.gz DGVHVOTVGUXCGR-CYBMUJFWSA-N -1 0 348.252 2.710 20 30 EFEDRM Cc1cc(F)c(Br)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605179141 972891393 /nfs/dbraw/zinc/89/13/93/972891393.db2.gz JQLGNQJGTPDVCE-ZDUSSCGKSA-N -1 0 343.152 2.840 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc(F)c1Br ZINC001605192203 972910693 /nfs/dbraw/zinc/91/06/93/972910693.db2.gz JRBSOUMGDOFTNY-ZDUSSCGKSA-N -1 0 343.152 2.840 20 30 EFEDRM Cc1cc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001605201110 972930059 /nfs/dbraw/zinc/93/00/59/972930059.db2.gz ZFWHWNUSHRSQDE-RISCZKNCSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncc1C#N ZINC001605201983 972938066 /nfs/dbraw/zinc/93/80/66/972938066.db2.gz DGPCBCLQPQGKIT-KGYLQXTDSA-N -1 0 330.388 2.519 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CCC(=O)[O-] ZINC001605219878 972968689 /nfs/dbraw/zinc/96/86/89/972968689.db2.gz RQFFZCWFWHXMPT-UHFFFAOYSA-N -1 0 325.324 2.857 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)C(F)(F)c2ccccc2C#N)C(=O)[O-])c1 ZINC001605328164 973177762 /nfs/dbraw/zinc/17/77/62/973177762.db2.gz LHBBIPYDFUYBDS-OAHLLOKOSA-N -1 0 344.317 2.901 20 30 EFEDRM O=C([O-])CCCC=NN1Cc2ccc(Br)cc2C1=O ZINC001606142461 973398247 /nfs/dbraw/zinc/39/82/47/973398247.db2.gz OLFTZDPBHJDOBZ-UHFFFAOYSA-N -1 0 325.162 2.646 20 30 EFEDRM CC[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC001603555128 973632879 /nfs/dbraw/zinc/63/28/79/973632879.db2.gz AUFDHSDVXYYYDC-BMFZPTHFSA-N -1 0 329.400 2.579 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001603593208 973798946 /nfs/dbraw/zinc/79/89/46/973798946.db2.gz DBGCDGCSAMHISQ-KKMIYCERSA-N -1 0 333.359 2.511 20 30 EFEDRM Cn1nccc1[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC001605567240 973811867 /nfs/dbraw/zinc/81/18/67/973811867.db2.gz BDQOUPFXUNNKNV-LJQANCHMSA-N -1 0 346.390 2.874 20 30 EFEDRM N#C[C@@H](C(=O)CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001605575807 973840797 /nfs/dbraw/zinc/84/07/97/973840797.db2.gz BBWCYIFTUMWXHV-NSHDSACASA-N -1 0 343.166 2.896 20 30 EFEDRM N#CC[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C(F)(F)F ZINC001605581689 973859898 /nfs/dbraw/zinc/85/98/98/973859898.db2.gz HLFKMSPEGFXDCY-LLVKDONJSA-N -1 0 329.278 2.670 20 30 EFEDRM N#CC1CCC(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001605582692 973867106 /nfs/dbraw/zinc/86/71/06/973867106.db2.gz DEAJESZYSLZULC-CXMPNGEBSA-N -1 0 341.411 2.929 20 30 EFEDRM N#CC1CCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001605582697 973867708 /nfs/dbraw/zinc/86/77/08/973867708.db2.gz DEAJESZYSLZULC-SMELUJQZSA-N -1 0 341.411 2.929 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001604684761 973876519 /nfs/dbraw/zinc/87/65/19/973876519.db2.gz AJJMABTXAJQYNY-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM N#CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCCC1 ZINC001605586568 973882183 /nfs/dbraw/zinc/88/21/83/973882183.db2.gz ZPFAOVLKHKAQPG-CQSZACIVSA-N -1 0 331.416 2.849 20 30 EFEDRM N#Cc1cc(C(=O)Nc2sccc2C(=O)[O-])cnc1C(F)(F)F ZINC001605592145 973894959 /nfs/dbraw/zinc/89/49/59/973894959.db2.gz YACAEBXADAIIOK-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#CCc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)n1 ZINC001605601206 973900426 /nfs/dbraw/zinc/90/04/26/973900426.db2.gz AOESOJRFAOYWEH-UHFFFAOYSA-N -1 0 340.383 2.654 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)cc1 ZINC001605601808 973907332 /nfs/dbraw/zinc/90/73/32/973907332.db2.gz DNBWHPKNKQIMBY-FQEVSTJZSA-N -1 0 336.391 2.985 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)s1 ZINC001605611081 973913433 /nfs/dbraw/zinc/91/34/33/973913433.db2.gz BZJIQPLPJMUZSV-LBPRGKRZSA-N -1 0 345.424 2.804 20 30 EFEDRM N#Cc1cccc(N(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C2CCC2)c1 ZINC001605617827 973937683 /nfs/dbraw/zinc/93/76/83/973937683.db2.gz XRYOVTDTNSZPPO-YOEHRIQHSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)COCC(=O)[O-])cc1F ZINC001605619617 973938489 /nfs/dbraw/zinc/93/84/89/973938489.db2.gz BKKHRCCJAKNGTQ-UHFFFAOYSA-N -1 0 344.298 2.529 20 30 EFEDRM N#Cc1ccccc1Sc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001605619753 973940331 /nfs/dbraw/zinc/94/03/31/973940331.db2.gz HPFKBECKJABKTO-UHFFFAOYSA-N -1 0 338.388 2.866 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C/C(=O)c3cncs3)o2)CC1 ZINC001605668089 974069627 /nfs/dbraw/zinc/06/96/27/974069627.db2.gz NVMRADRVMTYSAZ-HNQUOIGGSA-N -1 0 332.381 2.933 20 30 EFEDRM CC(C)[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001603733022 974171847 /nfs/dbraw/zinc/17/18/47/974171847.db2.gz XSMXMOKMFIJABL-INIZCTEOSA-N -1 0 327.384 2.784 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001604023872 974536810 /nfs/dbraw/zinc/53/68/10/974536810.db2.gz BDPRBPNFPTYRKS-CLCXKQKWSA-N -1 0 344.411 2.695 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC(C#N)CC2)c(C(=O)[O-])c1 ZINC001591786596 975957667 /nfs/dbraw/zinc/95/76/67/975957667.db2.gz JNQMQWKTOGPLDP-UHFFFAOYSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1C#N ZINC001591786703 975958836 /nfs/dbraw/zinc/95/88/36/975958836.db2.gz NZAIRWYDLCKQHP-CYBMUJFWSA-N -1 0 329.356 2.640 20 30 EFEDRM CC(C)[C@@H](O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001591846729 976130684 /nfs/dbraw/zinc/13/06/84/976130684.db2.gz UNJSHQHULYXURB-GOSISDBHSA-N -1 0 337.375 2.740 20 30 EFEDRM CC(C)c1cc([C@@H]2CCCN(c3ccc(C(=O)[O-])nc3C#N)C2)n[nH]1 ZINC001591930881 976428526 /nfs/dbraw/zinc/42/85/26/976428526.db2.gz DNRRPQQJPCYJQA-GFCCVEGCSA-N -1 0 339.399 2.882 20 30 EFEDRM CC(C)c1ccc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(=O)[nH]1 ZINC001591947203 976489561 /nfs/dbraw/zinc/48/95/61/976489561.db2.gz IDHOLGSRKBJLKK-UHFFFAOYSA-N -1 0 339.347 2.817 20 30 EFEDRM CC(C)c1ccc([C@@H]2NC(=S)NC(C3CC3)=C2C(=O)C(=O)[O-])cc1 ZINC001591948335 976499172 /nfs/dbraw/zinc/49/91/72/976499172.db2.gz FMOFHCKOUCPXHJ-AWEZNQCLSA-N -1 0 344.436 2.647 20 30 EFEDRM CC(C)c1sc(NC(=O)CNc2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001592111983 976906160 /nfs/dbraw/zinc/90/61/60/976906160.db2.gz VZMHIYIRNQXOED-UHFFFAOYSA-N -1 0 344.396 2.887 20 30 EFEDRM C[C@@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001592212446 977268434 /nfs/dbraw/zinc/26/84/34/977268434.db2.gz RULRCIHRRCORQT-XVKPBYJWSA-N -1 0 345.218 2.644 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)C#Cc1ccccc1)c1cccc(F)c1 ZINC001592277603 977555487 /nfs/dbraw/zinc/55/54/87/977555487.db2.gz DPGAMPDYGKYRIA-IBGZPJMESA-N -1 0 325.339 2.684 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001592374526 977900948 /nfs/dbraw/zinc/90/09/48/977900948.db2.gz BGJUUESXJQZLNN-LBPRGKRZSA-N -1 0 348.374 2.568 20 30 EFEDRM C[C@H](CC=NN1C(=S)N=NC1CSc1ccccc1)C(=O)[O-] ZINC001592471560 978233189 /nfs/dbraw/zinc/23/31/89/978233189.db2.gz TZXJNPAKTPECBG-SNVBAGLBSA-N -1 0 336.442 2.804 20 30 EFEDRM O=C([O-])c1cn(CC(=O)NCC#Cc2ccccc2)c2ccccc12 ZINC000746331262 978681414 /nfs/dbraw/zinc/68/14/14/978681414.db2.gz QOFLXHCMFFOPHV-UHFFFAOYSA-N -1 0 332.359 2.507 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([N+](=O)[O-])cc1F ZINC000777889589 978782079 /nfs/dbraw/zinc/78/20/79/978782079.db2.gz KXXGZXQOIWNPDT-UHFFFAOYSA-N -1 0 333.275 2.887 20 30 EFEDRM C[C@H](Oc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc1)C(=O)[O-] ZINC000794713752 978817457 /nfs/dbraw/zinc/81/74/57/978817457.db2.gz ONDSCHGTIXSELO-AXLKIAQESA-N -1 0 334.331 2.903 20 30 EFEDRM O=C([O-])COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000794716663 978818389 /nfs/dbraw/zinc/81/83/89/978818389.db2.gz URRGURLTHAGQAY-FPYGCLRLSA-N -1 0 339.303 2.893 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccccc2-n2ccnn2)cc1 ZINC000794733718 978818438 /nfs/dbraw/zinc/81/84/38/978818438.db2.gz ZKSHEOQAIVEFAB-JXMROGBWSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])c1ccc(N=NC2c3ccccc3CC23CCOCC3)nc1 ZINC000794923166 978830081 /nfs/dbraw/zinc/83/00/81/978830081.db2.gz MQCFBEIGHCYGFN-UHFFFAOYSA-N -1 0 337.379 2.949 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)NC(=O)OC(C)(C)C ZINC000799112211 978835931 /nfs/dbraw/zinc/83/59/31/978835931.db2.gz QBRZJIABIARDKU-JTQLQIEISA-N -1 0 337.376 2.704 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2ccccc2C(=O)[O-])cs1 ZINC000812445904 978870027 /nfs/dbraw/zinc/87/00/27/978870027.db2.gz FJAHZSZQBJAOOF-UHFFFAOYSA-N -1 0 332.385 2.660 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1CC(=O)[O-] ZINC000814684830 978871811 /nfs/dbraw/zinc/87/18/11/978871811.db2.gz INCSJOMXGADHPW-DTWKUNHWSA-N -1 0 336.304 2.792 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814715622 978876146 /nfs/dbraw/zinc/87/61/46/978876146.db2.gz DUXKFLOJRIMHJL-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814770472 978882793 /nfs/dbraw/zinc/88/27/93/978882793.db2.gz GKDQSTBOVUOMAU-VXGBXAGGSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCCc2cccs2)CC[C@H]1CC(=O)[O-] ZINC000814793529 978886028 /nfs/dbraw/zinc/88/60/28/978886028.db2.gz SMUAZDBWRUWFDD-QWRGUYRKSA-N -1 0 339.486 2.632 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000814888015 978895835 /nfs/dbraw/zinc/89/58/35/978895835.db2.gz VPUVRVIOAGRCDF-UHFFFAOYSA-N -1 0 349.387 2.848 20 30 EFEDRM CCCCCCCS(=O)(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000830142267 979013686 /nfs/dbraw/zinc/01/36/86/979013686.db2.gz NZKFUOSANACRFU-LBPRGKRZSA-N -1 0 345.383 2.626 20 30 EFEDRM CCCCCCCS(=O)(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000830142266 979013721 /nfs/dbraw/zinc/01/37/21/979013721.db2.gz NZKFUOSANACRFU-GFCCVEGCSA-N -1 0 345.383 2.626 20 30 EFEDRM COc1cccc(C#CCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000832515982 979046700 /nfs/dbraw/zinc/04/67/00/979046700.db2.gz YPNCZXVVWJIREI-UHFFFAOYSA-N -1 0 325.320 2.994 20 30 EFEDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CSCC#N ZINC000832848191 979050112 /nfs/dbraw/zinc/05/01/12/979050112.db2.gz TVIYAVKFXHUGQF-UHFFFAOYSA-N -1 0 343.202 2.651 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(F)c(F)c2F)C(=O)[O-])cc1 ZINC000833072906 979077383 /nfs/dbraw/zinc/07/73/83/979077383.db2.gz SEXKSVPJVMCHLH-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM CC[C@@H](CC#N)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595030843 979171178 /nfs/dbraw/zinc/17/11/78/979171178.db2.gz XRJHEBYRTQPGMZ-JTQLQIEISA-N -1 0 335.429 2.545 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCOc2c(C(=O)[O-])cccc21 ZINC000833374736 979173537 /nfs/dbraw/zinc/17/35/37/979173537.db2.gz AIDNFIDHUJIHGI-UHFFFAOYSA-N -1 0 333.384 2.873 20 30 EFEDRM C[C@](CNc1ccc(C#N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592728342 979236248 /nfs/dbraw/zinc/23/62/48/979236248.db2.gz ADIIJRGJZWISFR-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(Cl)c(C#N)c1 ZINC001595043303 979243550 /nfs/dbraw/zinc/24/35/50/979243550.db2.gz DKFIEIDWIFBCFP-UHFFFAOYSA-N -1 0 337.759 2.829 20 30 EFEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC001595047682 979259530 /nfs/dbraw/zinc/25/95/30/979259530.db2.gz DPUHIZPTBDSCNA-GFCCVEGCSA-N -1 0 346.383 2.710 20 30 EFEDRM C[C@@](COC(=O)COc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001592763433 979362931 /nfs/dbraw/zinc/36/29/31/979362931.db2.gz FBNOTNYVMMBSMD-IBGZPJMESA-N -1 0 339.347 2.523 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001592780820 979411586 /nfs/dbraw/zinc/41/15/86/979411586.db2.gz LUUCGIHBOWBCKY-ZDUSSCGKSA-N -1 0 339.347 2.810 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595111769 979460630 /nfs/dbraw/zinc/46/06/30/979460630.db2.gz UVSWUPFZWIMWEG-UHFFFAOYSA-N -1 0 342.417 2.627 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001592834685 979578251 /nfs/dbraw/zinc/57/82/51/979578251.db2.gz UOQAZCODYBXKBZ-LIRRHRJNSA-N -1 0 348.402 2.947 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592834823 979580311 /nfs/dbraw/zinc/58/03/11/979580311.db2.gz YEQCAXXKAFIVJA-CXAGYDPISA-N -1 0 328.412 2.887 20 30 EFEDRM N#Cc1ncc(Br)cc1N1CCC(CCC(=O)[O-])CC1 ZINC000852911429 979583646 /nfs/dbraw/zinc/58/36/46/979583646.db2.gz USMVJSSBALYADN-UHFFFAOYSA-N -1 0 338.205 2.797 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)CC#Cc1ccccc1)C(=O)[O-] ZINC001592847700 979626949 /nfs/dbraw/zinc/62/69/49/979626949.db2.gz XSURFNCQEFEBJB-FQEVSTJZSA-N -1 0 339.366 2.770 20 30 EFEDRM C=CCC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCOCC1 ZINC000864226480 979913135 /nfs/dbraw/zinc/91/31/35/979913135.db2.gz HIORXGVDZSSEKH-CQSZACIVSA-N -1 0 329.396 2.964 20 30 EFEDRM CC[C@H](Cc1cn(Cc2ccccc2C(C)(C)C#N)nn1)C(=O)[O-] ZINC001595218244 980031892 /nfs/dbraw/zinc/03/18/92/980031892.db2.gz KQGSFRVUYXSXTE-CYBMUJFWSA-N -1 0 326.400 2.781 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNC[C@H]2CCCC2(F)F)cc1)C(=O)[O-] ZINC000872406985 980075267 /nfs/dbraw/zinc/07/52/67/980075267.db2.gz NUGDPFHJCVTOKN-DGCLKSJQSA-N -1 0 326.343 2.897 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc21 ZINC000899317104 980227792 /nfs/dbraw/zinc/22/77/92/980227792.db2.gz KBHVBHHBSWPRIM-UHFFFAOYSA-N -1 0 330.388 2.845 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2n1 ZINC000899317070 980227840 /nfs/dbraw/zinc/22/78/40/980227840.db2.gz IWCOLVDORIFBKJ-QGZVFWFLSA-N -1 0 328.372 2.551 20 30 EFEDRM C[C@@H](NC(=O)CC#Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593011266 980246039 /nfs/dbraw/zinc/24/60/39/980246039.db2.gz OSSSBXWNFRGYSR-APWZRJJASA-N -1 0 335.403 2.876 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265980 980279749 /nfs/dbraw/zinc/27/97/49/980279749.db2.gz OWQJHNFVEUJUPQ-MRXNPFEDSA-N -1 0 331.759 2.660 20 30 EFEDRM CC[C@](NCc1c(C#N)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298485 980417608 /nfs/dbraw/zinc/41/76/08/980417608.db2.gz MRAWEGVNGMHBKC-GOSISDBHSA-N -1 0 339.351 2.946 20 30 EFEDRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595355243 980700407 /nfs/dbraw/zinc/70/04/07/980700407.db2.gz SJHMCEYLSUANFT-ILXRZTDVSA-N -1 0 336.432 2.577 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC000902980167 980948693 /nfs/dbraw/zinc/94/86/93/980948693.db2.gz YEBNMAZUHQJPEN-LBPRGKRZSA-N -1 0 341.429 2.554 20 30 EFEDRM CC/C=C/[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001595513546 981305465 /nfs/dbraw/zinc/30/54/65/981305465.db2.gz DJUWSGBQTVYLSH-HMDXOVGESA-N -1 0 328.246 2.548 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001595533130 981374809 /nfs/dbraw/zinc/37/48/09/981374809.db2.gz SAZBKGUUBDWKBE-UHFFFAOYSA-N -1 0 330.431 2.587 20 30 EFEDRM CCC[C@](C)(NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001595554009 981433846 /nfs/dbraw/zinc/43/38/46/981433846.db2.gz VRJFDIXOEJOBBX-KRWDZBQOSA-N -1 0 327.340 2.586 20 30 EFEDRM CCCC1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCC1 ZINC001595616902 981647299 /nfs/dbraw/zinc/64/72/99/981647299.db2.gz IOJASVBOAPLYTE-UHFFFAOYSA-N -1 0 336.413 2.505 20 30 EFEDRM CCC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595622973 981715742 /nfs/dbraw/zinc/71/57/42/981715742.db2.gz ZBAPYBFJXFALKO-CABCVRRESA-N -1 0 335.448 2.993 20 30 EFEDRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC001594766112 981720206 /nfs/dbraw/zinc/72/02/06/981720206.db2.gz TXJONGMCIUHHPP-ATTDUZETSA-N -1 0 345.395 2.521 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001594792029 981856034 /nfs/dbraw/zinc/85/60/34/981856034.db2.gz JXAKGBILDGKABE-IBGZPJMESA-N -1 0 343.427 2.730 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001594792030 981856836 /nfs/dbraw/zinc/85/68/36/981856836.db2.gz JXAKGBILDGKABE-LJQANCHMSA-N -1 0 343.427 2.730 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001595651523 982022842 /nfs/dbraw/zinc/02/28/42/982022842.db2.gz HFIBKNXWXVHDFH-YJBOKZPZSA-N -1 0 349.431 2.859 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001595651522 982022968 /nfs/dbraw/zinc/02/29/68/982022968.db2.gz HFIBKNXWXVHDFH-QAPCUYQASA-N -1 0 349.431 2.859 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001595705229 982282701 /nfs/dbraw/zinc/28/27/01/982282701.db2.gz SFNQDDUIUJXEQF-GJZGRUSLSA-N -1 0 328.453 2.868 20 30 EFEDRM CCCCCCCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595705378 982284584 /nfs/dbraw/zinc/28/45/84/982284584.db2.gz YRIXBKOEGORHOE-AWEZNQCLSA-N -1 0 336.436 2.890 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595709231 982291624 /nfs/dbraw/zinc/29/16/24/982291624.db2.gz XGCMPKNKEANYOL-AWEZNQCLSA-N -1 0 349.399 2.980 20 30 EFEDRM CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001595802895 982621723 /nfs/dbraw/zinc/62/17/23/982621723.db2.gz POSFRHUQMIIDAH-HNNXBMFYSA-N -1 0 339.399 2.528 20 30 EFEDRM CC[C@H](C)C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001594945985 982637407 /nfs/dbraw/zinc/63/74/07/982637407.db2.gz UOTKZYQKGNMEBH-GXTWGEPZSA-N -1 0 327.384 2.784 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C(=O)[O-])cc1 ZINC000923065559 982703901 /nfs/dbraw/zinc/70/39/01/982703901.db2.gz PLPJFIRQVXRYDH-BEFAXECRSA-N -1 0 326.396 2.754 20 30 EFEDRM COc1ccccc1C[C@H](CNC(=O)C1(C#N)CCCCC1)C(=O)[O-] ZINC000923072116 982706769 /nfs/dbraw/zinc/70/67/69/982706769.db2.gz DLWBRTBFCWZRID-OAHLLOKOSA-N -1 0 344.411 2.529 20 30 EFEDRM N#C[C@]1(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC2CCC1CC2 ZINC000923101812 982725140 /nfs/dbraw/zinc/72/51/40/982725140.db2.gz JJRIIDOFAYQVNF-GSQSYGFSSA-N -1 0 326.396 2.650 20 30 EFEDRM N#CC1(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)CCCCC1 ZINC000923108671 982729970 /nfs/dbraw/zinc/72/99/70/982729970.db2.gz FRSWKYFUCRQKJP-UHFFFAOYSA-N -1 0 347.440 2.569 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ocnc1C(=O)[O-] ZINC001595885990 982912968 /nfs/dbraw/zinc/91/29/68/982912968.db2.gz RGVLHSSFTAHUMO-UHFFFAOYSA-N -1 0 341.367 2.616 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2cc(C(=O)[O-])co2)c2ccccc21 ZINC001595894800 982933385 /nfs/dbraw/zinc/93/33/85/982933385.db2.gz XLBKFOFOQOFKAR-UHFFFAOYSA-N -1 0 325.324 2.558 20 30 EFEDRM C=CCO[C@H]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC001118222163 982946114 /nfs/dbraw/zinc/94/61/14/982946114.db2.gz QYKCQOULXSKTBB-NSHDSACASA-N -1 0 333.413 2.788 20 30 EFEDRM CCCOc1ccc(C(=O)N(CC#N)CCC(=O)[O-])c(OC(C)C)c1 ZINC001595952206 983126616 /nfs/dbraw/zinc/12/66/16/983126616.db2.gz CQPFGZDQNXWALT-UHFFFAOYSA-N -1 0 348.399 2.703 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367746 983301105 /nfs/dbraw/zinc/30/11/05/983301105.db2.gz BESQTKOFRQQTPU-CABZTGNLSA-N -1 0 328.290 2.651 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588368183 983304668 /nfs/dbraw/zinc/30/46/68/983304668.db2.gz HTEYRWLWOKBBLF-ZDUSSCGKSA-N -1 0 329.400 2.861 20 30 EFEDRM C#C[C@H](CC)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588369378 983313491 /nfs/dbraw/zinc/31/34/91/983313491.db2.gz JWYHIYKYOUQHSJ-MRXNPFEDSA-N -1 0 328.412 2.761 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588369346 983313717 /nfs/dbraw/zinc/31/37/17/983313717.db2.gz IVVBECTVQSZMFD-VXGBXAGGSA-N -1 0 335.429 2.532 20 30 EFEDRM C#C[C@H](CCC)NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588369432 983314293 /nfs/dbraw/zinc/31/42/93/983314293.db2.gz LTUMVMAAAWFXFT-CQSZACIVSA-N -1 0 328.368 2.775 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588369553 983315443 /nfs/dbraw/zinc/31/54/43/983315443.db2.gz POQYZKHTRMAYQY-VIFPVBQESA-N -1 0 339.189 2.989 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588369853 983317904 /nfs/dbraw/zinc/31/79/04/983317904.db2.gz YYMDRAAOTOZNFK-ZETCQYMHSA-N -1 0 343.152 2.820 20 30 EFEDRM CCCc1c(C(=O)NCCC#C[Si](C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596037441 983320450 /nfs/dbraw/zinc/32/04/50/983320450.db2.gz FWOMRKXUCFCLGU-UHFFFAOYSA-N -1 0 334.492 2.975 20 30 EFEDRM C#C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001588372097 983327867 /nfs/dbraw/zinc/32/78/67/983327867.db2.gz DAFHHOPUNXATGO-GFCCVEGCSA-N -1 0 326.755 2.563 20 30 EFEDRM C#C[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC001588372249 983329377 /nfs/dbraw/zinc/32/93/77/983329377.db2.gz GNNPYCNZCHHHKC-INIZCTEOSA-N -1 0 344.342 2.941 20 30 EFEDRM C#C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588372598 983332277 /nfs/dbraw/zinc/33/22/77/983332277.db2.gz OLHMIZZUZODFAO-QGZVFWFLSA-N -1 0 325.339 2.947 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372642 983332938 /nfs/dbraw/zinc/33/29/38/983332938.db2.gz PTADCZIQUNIIGO-YOEHRIQHSA-N -1 0 334.803 2.911 20 30 EFEDRM C#C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC001588373047 983336019 /nfs/dbraw/zinc/33/60/19/983336019.db2.gz YVGXZYVQMKDEDJ-ZWOKBUDYSA-N -1 0 337.350 2.875 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588373504 983338487 /nfs/dbraw/zinc/33/84/87/983338487.db2.gz GBOWQPQMSNXMRW-OAHLLOKOSA-N -1 0 342.282 2.536 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001588373791 983339758 /nfs/dbraw/zinc/33/97/58/983339758.db2.gz KBWVFDKJBKZNER-CQSZACIVSA-N -1 0 334.335 2.757 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC001588373834 983339780 /nfs/dbraw/zinc/33/97/80/983339780.db2.gz KKQMPHVQCNELKY-CYBMUJFWSA-N -1 0 331.759 2.873 20 30 EFEDRM C#C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(Cl)cc1 ZINC001588374213 983342257 /nfs/dbraw/zinc/34/22/57/983342257.db2.gz REFMWJDBKWKPJK-SOUVJXGZSA-N -1 0 335.787 2.543 20 30 EFEDRM C#C[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588374342 983343562 /nfs/dbraw/zinc/34/35/62/983343562.db2.gz UUEFIPBTWPXYPF-CYBMUJFWSA-N -1 0 331.755 2.973 20 30 EFEDRM C#C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C1CCOCC1 ZINC001588375605 983345868 /nfs/dbraw/zinc/34/58/68/983345868.db2.gz CSZJYROSPNMNRR-JTQLQIEISA-N -1 0 338.747 2.787 20 30 EFEDRM C#C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C1CCOCC1 ZINC001588375606 983346005 /nfs/dbraw/zinc/34/60/05/983346005.db2.gz CSZJYROSPNMNRR-SNVBAGLBSA-N -1 0 338.747 2.787 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588375660 983346373 /nfs/dbraw/zinc/34/63/73/983346373.db2.gz FHMSDAKAIFMROG-HNNXBMFYSA-N -1 0 349.795 2.691 20 30 EFEDRM CCCc1c(Nc2nccc(C(=O)[O-])n2)cnn1-c1cccc(C#N)c1 ZINC001596050009 983348080 /nfs/dbraw/zinc/34/80/80/983348080.db2.gz CVOIPKBALGUSEL-UHFFFAOYSA-N -1 0 348.366 2.928 20 30 EFEDRM C#C[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC001588377482 983357174 /nfs/dbraw/zinc/35/71/74/983357174.db2.gz MOYPMLFYYJHJGT-CVEARBPZSA-N -1 0 342.420 2.779 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001588382213 983369498 /nfs/dbraw/zinc/36/94/98/983369498.db2.gz JWBSWEHIWMZLJN-LLVKDONJSA-N -1 0 334.347 2.942 20 30 EFEDRM C#CC1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC001588382585 983372812 /nfs/dbraw/zinc/37/28/12/983372812.db2.gz DGFHZLUAQYNKDP-UHFFFAOYSA-N -1 0 349.433 2.633 20 30 EFEDRM C#CCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588384227 983388306 /nfs/dbraw/zinc/38/83/06/983388306.db2.gz ZPPDMSSCTGJPAG-UHFFFAOYSA-N -1 0 326.352 2.686 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001588394324 983402246 /nfs/dbraw/zinc/40/22/46/983402246.db2.gz KRGLJZDWLFLXEI-AWEZNQCLSA-N -1 0 327.405 2.740 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588395869 983406880 /nfs/dbraw/zinc/40/68/80/983406880.db2.gz VBBFEEZXMVQSBY-HOTGVXAUSA-N -1 0 346.427 2.566 20 30 EFEDRM C#CC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588407383 983428361 /nfs/dbraw/zinc/42/83/61/983428361.db2.gz HDNWLJCROLLWFA-MTSZKFMLSA-N -1 0 326.396 2.550 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC001588413601 983431362 /nfs/dbraw/zinc/43/13/62/983431362.db2.gz CKTOKCXJDBCGBI-OAHLLOKOSA-N -1 0 343.404 2.938 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001588413608 983431498 /nfs/dbraw/zinc/43/14/98/983431498.db2.gz CSXWTLISVFVPPT-JTQLQIEISA-N -1 0 332.208 2.922 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC001588413574 983431504 /nfs/dbraw/zinc/43/15/04/983431504.db2.gz BPJKNLOHUZJYRB-HNNXBMFYSA-N -1 0 328.755 2.608 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(Br)c(CCC)s1)C(=O)[O-] ZINC001588414412 983434230 /nfs/dbraw/zinc/43/42/30/983434230.db2.gz SLWRNOLTBNNHFT-SECBINFHSA-N -1 0 344.230 2.669 20 30 EFEDRM C#CC[C@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC001588416212 983436412 /nfs/dbraw/zinc/43/64/12/983436412.db2.gz KWUBODRRGKJBEA-NSHDSACASA-N -1 0 334.784 2.670 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cccc2c(Br)cccc12)C(=O)[O-] ZINC001588416483 983436834 /nfs/dbraw/zinc/43/68/34/983436834.db2.gz NDCNPFMSXWXHIA-CQSZACIVSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(-c2ccccc2C)nc1C)C(=O)[O-] ZINC001588421486 983441147 /nfs/dbraw/zinc/44/11/47/983441147.db2.gz KGRFHNJQHITVBO-CYBMUJFWSA-N -1 0 328.393 2.633 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(-c2ccccc2C)nc1C)C(=O)[O-] ZINC001588421487 983441347 /nfs/dbraw/zinc/44/13/47/983441347.db2.gz KGRFHNJQHITVBO-ZDUSSCGKSA-N -1 0 328.393 2.633 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)CCCCC1 ZINC001588427625 983457065 /nfs/dbraw/zinc/45/70/65/983457065.db2.gz GQCUXAHAHPYFTF-UHFFFAOYSA-N -1 0 339.413 2.545 20 30 EFEDRM C#CCC1(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CCCCC1 ZINC001588427884 983458514 /nfs/dbraw/zinc/45/85/14/983458514.db2.gz QFTDKIPXLISMHE-UHFFFAOYSA-N -1 0 335.429 2.858 20 30 EFEDRM C#CCC1(O)CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001588431840 983465969 /nfs/dbraw/zinc/46/59/69/983465969.db2.gz OPINIBUPLIZIPP-AWEZNQCLSA-N -1 0 342.222 2.969 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588433937 983468666 /nfs/dbraw/zinc/46/86/66/983468666.db2.gz DAVVCUWKNFTPEF-STQMWFEESA-N -1 0 348.374 2.945 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001588455169 983478841 /nfs/dbraw/zinc/47/88/41/983478841.db2.gz FWYCNABNQALOGD-KRWDZBQOSA-N -1 0 341.338 2.784 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001588455472 983479836 /nfs/dbraw/zinc/47/98/36/983479836.db2.gz NOVXRDFONVKNMQ-KRWDZBQOSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCCOc1ccc(CNC(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001588458277 983482908 /nfs/dbraw/zinc/48/29/08/983482908.db2.gz LXNMAAMINQQJIR-UHFFFAOYSA-N -1 0 328.368 2.800 20 30 EFEDRM C#CCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001588459611 983485010 /nfs/dbraw/zinc/48/50/10/983485010.db2.gz DPMMMYUADKWORN-FUHWJXTLSA-N -1 0 338.407 2.882 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001588465795 983496630 /nfs/dbraw/zinc/49/66/30/983496630.db2.gz HSJRWNQDFFFHGL-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588468559 983501324 /nfs/dbraw/zinc/50/13/24/983501324.db2.gz ZBXBLQKVPDLQSN-UHFFFAOYSA-N -1 0 326.299 2.516 20 30 EFEDRM C#CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C1CC1 ZINC001588470040 983504518 /nfs/dbraw/zinc/50/45/18/983504518.db2.gz ZYJNNPGZABNRKG-UHFFFAOYSA-N -1 0 338.201 2.754 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588490132 983530998 /nfs/dbraw/zinc/53/09/98/983530998.db2.gz HCWINPHACHITBF-TVQRCGJNSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588490380 983532047 /nfs/dbraw/zinc/53/20/47/983532047.db2.gz MAHFHZAEMCHOLJ-QPUJVOFHSA-N -1 0 331.151 2.701 20 30 EFEDRM C#CCOc1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001588497500 983538999 /nfs/dbraw/zinc/53/89/99/983538999.db2.gz JZHAFAYOHBAUMI-UHFFFAOYSA-N -1 0 337.375 2.646 20 30 EFEDRM C#CCOc1ccc(COC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001588497702 983540623 /nfs/dbraw/zinc/54/06/23/983540623.db2.gz WIUUOPUIFQPWOR-BQYQJAHWSA-N -1 0 326.304 2.746 20 30 EFEDRM C#CCOc1ccc(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001588497758 983541023 /nfs/dbraw/zinc/54/10/23/983541023.db2.gz ZNIGPUCUYCMCHQ-GHTZIAJQSA-N -1 0 349.386 2.573 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC001588497911 983542176 /nfs/dbraw/zinc/54/21/76/983542176.db2.gz KEUQJDXJWRPJNA-UHFFFAOYSA-N -1 0 336.363 2.994 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001588497931 983542634 /nfs/dbraw/zinc/54/26/34/983542634.db2.gz MBMXRXFLCJYGKF-AUUYWEPGSA-N -1 0 342.395 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001588498726 983544173 /nfs/dbraw/zinc/54/41/73/983544173.db2.gz DDCXVIKHFKVAMC-UHFFFAOYSA-N -1 0 343.314 2.883 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001588503973 983545815 /nfs/dbraw/zinc/54/58/15/983545815.db2.gz BJWPPMZIANCQAP-JTQLQIEISA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001588504626 983548254 /nfs/dbraw/zinc/54/82/54/983548254.db2.gz FYINTRCUCVJNLA-UHFFFAOYSA-N -1 0 340.335 2.846 20 30 EFEDRM C#CCSCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588506211 983550845 /nfs/dbraw/zinc/55/08/45/983550845.db2.gz JPWNEFXIZDRYSR-UHFFFAOYSA-N -1 0 342.214 2.761 20 30 EFEDRM C#CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588506154 983551002 /nfs/dbraw/zinc/55/10/02/983551002.db2.gz HESCQIKKKLBONU-INIZCTEOSA-N -1 0 327.405 2.838 20 30 EFEDRM C#CCSCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588506575 983552182 /nfs/dbraw/zinc/55/21/82/983552182.db2.gz XRDIDJGFCRXETA-UHFFFAOYSA-N -1 0 330.768 2.665 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001588510741 983556772 /nfs/dbraw/zinc/55/67/72/983556772.db2.gz JKNRQRUHLNADSY-MRXNPFEDSA-N -1 0 328.412 2.997 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001588511523 983559813 /nfs/dbraw/zinc/55/98/13/983559813.db2.gz XXMRIRWNVCGWLT-RNODOKPDSA-N -1 0 334.375 2.670 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)nc1 ZINC001588516596 983561653 /nfs/dbraw/zinc/56/16/53/983561653.db2.gz RFENDJUZIVPKRS-UHFFFAOYSA-N -1 0 346.289 2.657 20 30 EFEDRM C#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001588517115 983563569 /nfs/dbraw/zinc/56/35/69/983563569.db2.gz MAEQIIIXAJEAGB-UHFFFAOYSA-N -1 0 349.390 2.638 20 30 EFEDRM C#Cc1ccc(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c(Cl)c1 ZINC001588518149 983568144 /nfs/dbraw/zinc/56/81/44/983568144.db2.gz SIMDXMHPZHOUSY-UHFFFAOYSA-N -1 0 346.774 2.982 20 30 EFEDRM C#Cc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001588522107 983569479 /nfs/dbraw/zinc/56/94/79/983569479.db2.gz CBPFJEFCZBPOEO-UHFFFAOYSA-N -1 0 337.379 2.754 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001588522187 983569855 /nfs/dbraw/zinc/56/98/55/983569855.db2.gz HDOHGFDMASRHQK-GOSISDBHSA-N -1 0 334.375 2.562 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588524186 983574139 /nfs/dbraw/zinc/57/41/39/983574139.db2.gz BRSRTXSUUMHDQS-SFHVURJKSA-N -1 0 325.339 2.600 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])c1 ZINC001588528620 983577469 /nfs/dbraw/zinc/57/74/69/983577469.db2.gz AVJWWNLMPVBAMB-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001588529415 983581462 /nfs/dbraw/zinc/58/14/62/983581462.db2.gz YQMADYYVCXXQQT-GOSISDBHSA-N -1 0 330.343 2.772 20 30 EFEDRM C=C(C)C(C)(C)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588530126 983583486 /nfs/dbraw/zinc/58/34/86/983583486.db2.gz RADLKZQEQFQGLG-GFCCVEGCSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001588534959 983587413 /nfs/dbraw/zinc/58/74/13/983587413.db2.gz DLBAMSHVTCNUQR-MNOVXSKESA-N -1 0 336.363 2.569 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588536362 983593538 /nfs/dbraw/zinc/59/35/38/983593538.db2.gz ADODCKKMDVUHIA-STQMWFEESA-N -1 0 342.436 2.558 20 30 EFEDRM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@@H](C)C#N ZINC001596212902 983604257 /nfs/dbraw/zinc/60/42/57/983604257.db2.gz VNVBFSKLPXUPFY-NSHDSACASA-N -1 0 349.456 2.745 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC001588541118 983606266 /nfs/dbraw/zinc/60/62/66/983606266.db2.gz SJFOIONVQWOENR-CQSZACIVSA-N -1 0 343.383 2.595 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)ncc1Br)C(=O)[O-] ZINC001588543109 983610710 /nfs/dbraw/zinc/61/07/10/983610710.db2.gz DANOAMCMEDPAPK-VIFPVBQESA-N -1 0 347.596 2.647 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC001588543724 983612528 /nfs/dbraw/zinc/61/25/28/983612528.db2.gz NAKKICNRWTUEPI-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1sc(C)cc1Br)C(=O)[O-] ZINC001588544008 983613072 /nfs/dbraw/zinc/61/30/72/983613072.db2.gz RUNBDTSBFXFSSY-JTQLQIEISA-N -1 0 346.246 2.897 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588544087 983613121 /nfs/dbraw/zinc/61/31/21/983613121.db2.gz UCXVODROLJYYBV-CYBMUJFWSA-N -1 0 339.775 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1OCC)C(=O)[O-] ZINC001588546829 983617123 /nfs/dbraw/zinc/61/71/23/983617123.db2.gz QOGWOFFUWXSPEN-JTQLQIEISA-N -1 0 346.305 2.648 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001588548754 983625327 /nfs/dbraw/zinc/62/53/27/983625327.db2.gz SXTFYJAKKBLYCJ-QGZVFWFLSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc2nc(CC)c(CC)nc2c1)C(=O)[O-] ZINC001588549074 983626403 /nfs/dbraw/zinc/62/64/03/983626403.db2.gz XAHBXUCUNRATSN-KRWDZBQOSA-N -1 0 341.411 2.904 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-] ZINC001588553038 983627346 /nfs/dbraw/zinc/62/73/46/983627346.db2.gz GGLNJUYZFRREGX-YBJDMEARSA-N -1 0 329.805 2.650 20 30 EFEDRM C=C(C)CCc1noc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)n1 ZINC001588561501 983641476 /nfs/dbraw/zinc/64/14/76/983641476.db2.gz GXUAGYZXOOXXOV-JTQLQIEISA-N -1 0 325.365 2.619 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588567730 983647776 /nfs/dbraw/zinc/64/77/76/983647776.db2.gz RLXNBNWEQGRMHX-JKSUJKDBSA-N -1 0 333.432 2.870 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588570219 983650749 /nfs/dbraw/zinc/65/07/49/983650749.db2.gz URKNLOOMIJMHFW-UHFFFAOYSA-N -1 0 336.388 2.886 20 30 EFEDRM C=C(C)CONC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588573582 983653226 /nfs/dbraw/zinc/65/32/26/983653226.db2.gz QHPVEZXWHCZADE-LLVKDONJSA-N -1 0 332.278 2.795 20 30 EFEDRM C=C(C)Cn1c(-c2ccsc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588579055 983660231 /nfs/dbraw/zinc/66/02/31/983660231.db2.gz SIQORGSTDUBPDY-DGCLKSJQSA-N -1 0 332.429 2.740 20 30 EFEDRM C=C(C)Cn1c(-c2coc(C)c2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588579099 983660641 /nfs/dbraw/zinc/66/06/41/983660641.db2.gz UUUPPPNINDBGJD-BXUZGUMPSA-N -1 0 330.388 2.580 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588591336 983672586 /nfs/dbraw/zinc/67/25/86/983672586.db2.gz HVWKDVRZPSAMLN-RBSFLKMASA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588591909 983674654 /nfs/dbraw/zinc/67/46/54/983674654.db2.gz OFUBVQQFCQHYPW-REBRKWNGSA-N -1 0 330.432 2.525 20 30 EFEDRM C=C(C)Cn1c(Cc2ccco2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588598361 983683237 /nfs/dbraw/zinc/68/32/37/983683237.db2.gz AGAVEBOYZSMSFS-ZIAGYGMSSA-N -1 0 344.415 2.585 20 30 EFEDRM C=C(C)Cn1c(Cc2csc(C)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588598762 983686007 /nfs/dbraw/zinc/68/60/07/983686007.db2.gz NMCZADQYMJFUIU-CQSZACIVSA-N -1 0 346.456 2.726 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001588599108 983688100 /nfs/dbraw/zinc/68/81/00/983688100.db2.gz VJXXBWWOAIIMBD-GOSISDBHSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001588612211 983702205 /nfs/dbraw/zinc/70/22/05/983702205.db2.gz KYMCHRCHKRKFLN-IUCAKERBSA-N -1 0 347.255 2.997 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC001588614437 983707626 /nfs/dbraw/zinc/70/76/26/983707626.db2.gz VDNGUALVDSTLSF-QGZVFWFLSA-N -1 0 331.412 2.658 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC001588614693 983708221 /nfs/dbraw/zinc/70/82/21/983708221.db2.gz ZQAUIBFQUHWJFE-HNNXBMFYSA-N -1 0 335.375 2.925 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001588621593 983720189 /nfs/dbraw/zinc/72/01/89/983720189.db2.gz HFHLIESBWKZTGW-ZDUSSCGKSA-N -1 0 345.317 2.666 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001588622338 983723406 /nfs/dbraw/zinc/72/34/06/983723406.db2.gz VYXQUHYTHCJILL-GFCCVEGCSA-N -1 0 345.399 2.569 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](Cc1ccccc1)c1ccccn1 ZINC001588623244 983726920 /nfs/dbraw/zinc/72/69/20/983726920.db2.gz NIGAPQPVXRAPHE-QGZVFWFLSA-N -1 0 338.407 2.945 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC001588623767 983729626 /nfs/dbraw/zinc/72/96/26/983729626.db2.gz WRPTXIWTRMTBDW-NSHDSACASA-N -1 0 332.183 2.564 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1ccc(Br)cc1 ZINC001588624513 983732727 /nfs/dbraw/zinc/73/27/27/983732727.db2.gz LHVXRVAHELYUEV-UHFFFAOYSA-N -1 0 326.190 2.529 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccncc1OCCC(C)(C)C ZINC001588629968 983740430 /nfs/dbraw/zinc/74/04/30/983740430.db2.gz PGRZWEKUEYJSLF-UHFFFAOYSA-N -1 0 334.416 2.934 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC001588630674 983745470 /nfs/dbraw/zinc/74/54/70/983745470.db2.gz WYPCMBPDULRGHD-NEPJUHHUSA-N -1 0 325.311 2.681 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC)cc1Br ZINC001588633400 983749033 /nfs/dbraw/zinc/74/90/33/983749033.db2.gz GPYCYZORHWDQMV-UHFFFAOYSA-N -1 0 328.162 2.817 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1-c1nncn1C(C)C ZINC001588633471 983749596 /nfs/dbraw/zinc/74/95/96/983749596.db2.gz IPPSUBLZHJNJAR-UHFFFAOYSA-N -1 0 328.372 2.886 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC001588634510 983753315 /nfs/dbraw/zinc/75/33/15/983753315.db2.gz WGDWIKXJMSYJJB-UHFFFAOYSA-N -1 0 328.324 2.891 20 30 EFEDRM C=C(CN[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588637627 983760766 /nfs/dbraw/zinc/76/07/66/983760766.db2.gz SGYUBJQIKBTPRR-KRWDZBQOSA-N -1 0 325.364 2.902 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588663037 983793160 /nfs/dbraw/zinc/79/31/60/983793160.db2.gz BQGXSTYCKZSEIB-DLBZAZTESA-N -1 0 327.355 2.907 20 30 EFEDRM C=C[C@H](C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)c1ccccc1 ZINC001588663104 983793676 /nfs/dbraw/zinc/79/36/76/983793676.db2.gz BWABEBGXEWGGNQ-INIZCTEOSA-N -1 0 348.362 2.874 20 30 EFEDRM C=CC(C)(C)C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588671523 983821285 /nfs/dbraw/zinc/82/12/85/983821285.db2.gz CNGHTJCQTRYURY-UHFFFAOYSA-N -1 0 337.397 2.629 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001588676816 983831507 /nfs/dbraw/zinc/83/15/07/983831507.db2.gz CRURHNBIRGDISB-UHFFFAOYSA-N -1 0 347.383 2.934 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001588677099 983833333 /nfs/dbraw/zinc/83/33/33/983833333.db2.gz QLUZIPSDWCFNLC-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001588677222 983834874 /nfs/dbraw/zinc/83/48/74/983834874.db2.gz YBLXCMLJOHLEQH-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588681225 983839200 /nfs/dbraw/zinc/83/92/00/983839200.db2.gz RIHHDRUQLCOVMV-CYBMUJFWSA-N -1 0 334.464 2.897 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588681226 983839379 /nfs/dbraw/zinc/83/93/79/983839379.db2.gz RIHHDRUQLCOVMV-ZDUSSCGKSA-N -1 0 334.464 2.897 20 30 EFEDRM C=C[C@](C)(CCOC)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001588682822 983845977 /nfs/dbraw/zinc/84/59/77/983845977.db2.gz QUSVHRIDDSJYFC-QGZVFWFLSA-N -1 0 332.356 2.827 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588683962 983852963 /nfs/dbraw/zinc/85/29/63/983852963.db2.gz IBBGVZUNXNCMRB-DOMZBBRYSA-N -1 0 345.317 2.665 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588690827 983877047 /nfs/dbraw/zinc/87/70/47/983877047.db2.gz MINQFOFSNRPAGT-DOMZBBRYSA-N -1 0 330.409 2.615 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001588691353 983879887 /nfs/dbraw/zinc/87/98/87/983879887.db2.gz YVFRMWXJFSSCTL-GHMZBOCLSA-N -1 0 336.363 2.569 20 30 EFEDRM C=C[C@H](Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)C(=O)[O-] ZINC001588702315 983919908 /nfs/dbraw/zinc/91/99/08/983919908.db2.gz PWFXDBSMPKORDK-HNNXBMFYSA-N -1 0 333.363 2.851 20 30 EFEDRM C=C[C@@H](OC(=O)c1cc(C2CC2)nc2onc(CCC)c21)C(=O)[O-] ZINC001588713035 983947740 /nfs/dbraw/zinc/94/77/40/983947740.db2.gz QBEBHXQDEWQVEB-CYBMUJFWSA-N -1 0 330.340 2.849 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001588719239 983959961 /nfs/dbraw/zinc/95/99/61/983959961.db2.gz OAGDSSHFPFJTRA-GHMZBOCLSA-N -1 0 335.429 2.905 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccccc1 ZINC001588720747 983969656 /nfs/dbraw/zinc/96/96/56/983969656.db2.gz GRQSQPUUNTVVMG-HNNXBMFYSA-N -1 0 342.395 2.568 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588735463 984018262 /nfs/dbraw/zinc/01/82/62/984018262.db2.gz AKXLBSLGEFVQGJ-SSDOTTSWSA-N -1 0 338.212 2.935 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588736107 984022912 /nfs/dbraw/zinc/02/29/12/984022912.db2.gz SJIYWSWNDDJDFJ-JTQLQIEISA-N -1 0 336.413 2.516 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588742879 984035648 /nfs/dbraw/zinc/03/56/48/984035648.db2.gz MSESYQGMANWVRP-SNVBAGLBSA-N -1 0 348.143 2.902 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC001588743052 984036120 /nfs/dbraw/zinc/03/61/20/984036120.db2.gz QKDHHYZTCSFVMX-CYBMUJFWSA-N -1 0 331.397 2.958 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588743544 984038675 /nfs/dbraw/zinc/03/86/75/984038675.db2.gz ZVLXEXLLCBGTAC-LBPRGKRZSA-N -1 0 338.354 2.633 20 30 EFEDRM C=CCC(F)(F)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001588744747 984045583 /nfs/dbraw/zinc/04/55/83/984045583.db2.gz QIEAKZPGMMMWNF-LLVKDONJSA-N -1 0 337.244 2.899 20 30 EFEDRM C=CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001588751515 984077100 /nfs/dbraw/zinc/07/71/00/984077100.db2.gz NPCRTPFOAFEFNO-HNNXBMFYSA-N -1 0 327.384 2.711 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588752656 984082236 /nfs/dbraw/zinc/08/22/36/984082236.db2.gz YZUVIDNGPQCELB-NWDGAFQWSA-N -1 0 332.274 2.965 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC001588756076 984096694 /nfs/dbraw/zinc/09/66/94/984096694.db2.gz GYGWUHBDQBZVET-LLVKDONJSA-N -1 0 329.146 2.644 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)[O-] ZINC001588756570 984098132 /nfs/dbraw/zinc/09/81/32/984098132.db2.gz LWJAQZFIKMVYLI-MRXNPFEDSA-N -1 0 328.368 2.734 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)[O-] ZINC001588757055 984101403 /nfs/dbraw/zinc/10/14/03/984101403.db2.gz TYYCFLHPBUPVHQ-ZDUSSCGKSA-N -1 0 337.759 2.653 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCCC1 ZINC001588764561 984122815 /nfs/dbraw/zinc/12/28/15/984122815.db2.gz FIYBDDAHKMJLND-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCC1(C(=O)OCc2nc(C)c(C(=O)[O-])s2)CCOCC1 ZINC001588766965 984126938 /nfs/dbraw/zinc/12/69/38/984126938.db2.gz AUGWKSTWDSCHKR-UHFFFAOYSA-N -1 0 325.386 2.566 20 30 EFEDRM C=CC[C@]1(C(=O)O[C@@H](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588767222 984128855 /nfs/dbraw/zinc/12/88/55/984128855.db2.gz PKNBQVSKJLBWES-YVEFUNNKSA-N -1 0 341.404 2.739 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CCCC1 ZINC001588767375 984130554 /nfs/dbraw/zinc/13/05/54/984130554.db2.gz YGXZUZZJYUZCCJ-CYBMUJFWSA-N -1 0 344.411 2.818 20 30 EFEDRM C=CCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCOCC1 ZINC001588767401 984130561 /nfs/dbraw/zinc/13/05/61/984130561.db2.gz ZSXOYEXOLJFGLX-UHFFFAOYSA-N -1 0 329.352 2.673 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C1 ZINC001588770666 984135163 /nfs/dbraw/zinc/13/51/63/984135163.db2.gz CHUUHMBPUXEMKR-GFCCVEGCSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C1 ZINC001588770740 984135744 /nfs/dbraw/zinc/13/57/44/984135744.db2.gz FKBBJMPDLJSJQD-GFCCVEGCSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588770772 984136275 /nfs/dbraw/zinc/13/62/75/984136275.db2.gz GKXLANYNJKKENE-PWSUYJOCSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588770972 984136783 /nfs/dbraw/zinc/13/67/83/984136783.db2.gz KTTJBMXNYQMYOZ-DZGCQCFKSA-N -1 0 343.427 2.982 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588771058 984137287 /nfs/dbraw/zinc/13/72/87/984137287.db2.gz MZSWDIFKBJEHGG-FZMZJTMJSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC001588771063 984137330 /nfs/dbraw/zinc/13/73/30/984137330.db2.gz NIGBGJGLXPIOIA-AWEZNQCLSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001588771428 984139847 /nfs/dbraw/zinc/13/98/47/984139847.db2.gz UEVDSJRTENRBIC-FMHYQEOESA-N -1 0 334.416 2.687 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588771702 984141389 /nfs/dbraw/zinc/14/13/89/984141389.db2.gz YCSDXDSJYNMJKT-SMDDNHRTSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@H]1CCN1C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001588772228 984141870 /nfs/dbraw/zinc/14/18/70/984141870.db2.gz AVVPCIQKJISTAA-ZDUSSCGKSA-N -1 0 330.384 2.624 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001588772930 984145864 /nfs/dbraw/zinc/14/58/64/984145864.db2.gz QVBLFCFDEDAEGO-SNVBAGLBSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001588776930 984154526 /nfs/dbraw/zinc/15/45/26/984154526.db2.gz NJWTUWCOIQAMJU-UHFFFAOYSA-N -1 0 334.416 2.875 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001588781552 984167051 /nfs/dbraw/zinc/16/70/51/984167051.db2.gz BKNTWMHWLPBUOJ-SNVBAGLBSA-N -1 0 344.820 2.553 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001588781568 984167181 /nfs/dbraw/zinc/16/71/81/984167181.db2.gz CCOUJAHMQZXYFY-OAHLLOKOSA-N -1 0 349.452 2.922 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588781797 984168582 /nfs/dbraw/zinc/16/85/82/984168582.db2.gz HPFUYVFGSKNPQH-CQSZACIVSA-N -1 0 329.462 2.782 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588782644 984174099 /nfs/dbraw/zinc/17/40/99/984174099.db2.gz XONUAKPTXVXXKC-NSHDSACASA-N -1 0 329.443 2.874 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1cccc(OC)c1)C(=O)[O-] ZINC001588784804 984178552 /nfs/dbraw/zinc/17/85/52/984178552.db2.gz BQFDCQCCZDQUPE-CYBMUJFWSA-N -1 0 327.327 2.713 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001588785556 984180710 /nfs/dbraw/zinc/18/07/10/984180710.db2.gz IRHNRQLDYYNBHU-CYBMUJFWSA-N -1 0 334.372 2.798 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588786018 984182377 /nfs/dbraw/zinc/18/23/77/984182377.db2.gz LTOMKMIWIMCAKL-GFCCVEGCSA-N -1 0 342.298 2.612 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC001588786232 984184021 /nfs/dbraw/zinc/18/40/21/984184021.db2.gz NZWCIKRJEWQAAG-QWHCGFSZSA-N -1 0 327.421 2.526 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588787357 984186987 /nfs/dbraw/zinc/18/69/87/984186987.db2.gz VSVXJTUWOWDMPE-LLVKDONJSA-N -1 0 329.393 2.855 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)C(=O)[O-] ZINC001588789492 984198378 /nfs/dbraw/zinc/19/83/78/984198378.db2.gz CSKVFROGOKZNRQ-DOMZBBRYSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1NC(=O)NC(C)C)C(=O)[O-] ZINC001588792555 984210544 /nfs/dbraw/zinc/21/05/44/984210544.db2.gz ARZHNHVWTQWVCX-HNNXBMFYSA-N -1 0 347.415 2.756 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)C(=O)[O-] ZINC001588792756 984212691 /nfs/dbraw/zinc/21/26/91/984212691.db2.gz DIYJALNWNLMBEM-GOEBONIOSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)[O-] ZINC001588793044 984216088 /nfs/dbraw/zinc/21/60/88/984216088.db2.gz ROZHUHDJVCQADG-GFCCVEGCSA-N -1 0 331.290 2.950 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(=O)[O-] ZINC001588793298 984217680 /nfs/dbraw/zinc/21/76/80/984217680.db2.gz VURGUXRJJZQBRZ-QGZVFWFLSA-N -1 0 339.395 2.991 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1N)C(=O)[O-] ZINC001588793292 984217729 /nfs/dbraw/zinc/21/77/29/984217729.db2.gz VSFJQCODXZJDDZ-LBPRGKRZSA-N -1 0 330.306 2.827 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc([C@@H](C)OCC)s1)C(=O)[O-] ZINC001588793366 984218256 /nfs/dbraw/zinc/21/82/56/984218256.db2.gz PPRUXVRGMYFDIF-MNOVXSKESA-N -1 0 326.418 2.780 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CC)C(=O)[O-] ZINC001588794151 984224608 /nfs/dbraw/zinc/22/46/08/984224608.db2.gz MRNHLVMPMJFOIE-SJCJKPOMSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588794120 984224822 /nfs/dbraw/zinc/22/48/22/984224822.db2.gz LVWXHPWPMGNAMG-BFHYXJOUSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)C(=O)[O-] ZINC001588794249 984226043 /nfs/dbraw/zinc/22/60/43/984226043.db2.gz PGQNHPIEJODLNY-XHSDSOJGSA-N -1 0 345.443 2.978 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(=O)[O-] ZINC001588794562 984228279 /nfs/dbraw/zinc/22/82/79/984228279.db2.gz YRAPDXQOCHWVMC-CQSZACIVSA-N -1 0 341.367 2.790 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)C(=O)[O-] ZINC001588797695 984230557 /nfs/dbraw/zinc/23/05/57/984230557.db2.gz JOIVAQAFOGRPTH-OAHLLOKOSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncccc1-c1ccccn1)C(=O)[O-] ZINC001588797744 984231237 /nfs/dbraw/zinc/23/12/37/984231237.db2.gz KXSBDCKKICHETM-HNNXBMFYSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588798153 984233859 /nfs/dbraw/zinc/23/38/59/984233859.db2.gz VWRORIYHDXBNMR-ZDUSSCGKSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC001588798208 984234387 /nfs/dbraw/zinc/23/43/87/984234387.db2.gz XQAIDFYHUXSKNS-HNNXBMFYSA-N -1 0 325.430 2.532 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588798293 984234945 /nfs/dbraw/zinc/23/49/45/984234945.db2.gz ALOZCDFRMXXZQD-GFCCVEGCSA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(CC)c(CC)c1)C(=O)[O-] ZINC001588799064 984241077 /nfs/dbraw/zinc/24/10/77/984241077.db2.gz ZTMTWGLWTFXAMN-MRXNPFEDSA-N -1 0 339.457 2.899 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C)C(=O)[O-] ZINC001588799068 984241253 /nfs/dbraw/zinc/24/12/53/984241253.db2.gz ZWKXXHCGCCUGJN-GFCCVEGCSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001588799857 984242565 /nfs/dbraw/zinc/24/25/65/984242565.db2.gz MGOGJPZZPLDXOZ-UHFFFAOYSA-N -1 0 341.429 2.760 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588801438 984245474 /nfs/dbraw/zinc/24/54/74/984245474.db2.gz LPSMWNRRRDAWCJ-UHFFFAOYSA-N -1 0 329.393 2.809 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001588801766 984247753 /nfs/dbraw/zinc/24/77/53/984247753.db2.gz ZUURJSFKGMFYFN-UHFFFAOYSA-N -1 0 332.400 2.755 20 30 EFEDRM C=CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588803809 984252375 /nfs/dbraw/zinc/25/23/75/984252375.db2.gz LUNZEPQCLYRDIH-UHFFFAOYSA-N -1 0 328.372 2.967 20 30 EFEDRM C=CCCNC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001588807500 984260249 /nfs/dbraw/zinc/26/02/49/984260249.db2.gz MWASLYBSYLYIOU-UHFFFAOYSA-N -1 0 345.218 2.810 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588808924 984263971 /nfs/dbraw/zinc/26/39/71/984263971.db2.gz QEHDGKPYKJTQKG-RYUDHWBXSA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCCOCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588813344 984269558 /nfs/dbraw/zinc/26/95/58/984269558.db2.gz OQWPAJQYLQFXGY-UHFFFAOYSA-N -1 0 342.779 2.518 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001588814741 984272634 /nfs/dbraw/zinc/27/26/34/984272634.db2.gz OVESRMGNQXXBGC-OAHLLOKOSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC001588814830 984273561 /nfs/dbraw/zinc/27/35/61/984273561.db2.gz SXLNPIYZMYBLOD-UHFFFAOYSA-N -1 0 339.457 2.927 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1c(C)cc(C(=O)[O-])cc1Cl)C(C)C ZINC001588819990 984280873 /nfs/dbraw/zinc/28/08/73/984280873.db2.gz LTYMKGXHQCFWAW-UHFFFAOYSA-N -1 0 338.791 2.708 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588828605 984307726 /nfs/dbraw/zinc/30/77/26/984307726.db2.gz DGJLAKQUCNOSQZ-XDNAFOTISA-N -1 0 342.439 2.926 20 30 EFEDRM C=CCN(CCc1ccco1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001588829234 984312570 /nfs/dbraw/zinc/31/25/70/984312570.db2.gz LHDZWLZMKRELMR-UHFFFAOYSA-N -1 0 331.328 2.825 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588829397 984313674 /nfs/dbraw/zinc/31/36/74/984313674.db2.gz YFNJSXBXTXKVMM-JGZJWPJOSA-N -1 0 349.861 2.583 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001588831915 984318851 /nfs/dbraw/zinc/31/88/51/984318851.db2.gz XYVGSPKZXMUZOF-UHFFFAOYSA-N -1 0 330.319 2.534 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001588832178 984320139 /nfs/dbraw/zinc/32/01/39/984320139.db2.gz FUENZRGWIBFJJR-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2cccc(OC3CC3)c2F)C(C(=O)[O-])=C1C ZINC001588836545 984328185 /nfs/dbraw/zinc/32/81/85/984328185.db2.gz AUIBEZIVFVDLMM-MRXNPFEDSA-N -1 0 346.358 2.978 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2C)C(C(=O)[O-])=C1C ZINC001588836710 984329096 /nfs/dbraw/zinc/32/90/96/984329096.db2.gz FSRYQDFOOHDQHS-AWEZNQCLSA-N -1 0 331.328 2.514 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)s1 ZINC001588849307 984370274 /nfs/dbraw/zinc/37/02/74/984370274.db2.gz JFTVHFGDSAFKBV-UHFFFAOYSA-N -1 0 329.381 2.642 20 30 EFEDRM C=CCNc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001588849344 984370281 /nfs/dbraw/zinc/37/02/81/984370281.db2.gz LREAXMZRRDAWRH-NSHDSACASA-N -1 0 332.410 2.926 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001588849440 984371737 /nfs/dbraw/zinc/37/17/37/984371737.db2.gz QRQCJZFPXCHTSP-CQSZACIVSA-N -1 0 345.424 2.914 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001588849940 984376708 /nfs/dbraw/zinc/37/67/08/984376708.db2.gz PUBYWLHJAPJBDF-GFCCVEGCSA-N -1 0 336.413 2.916 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(=O)[O-] ZINC001588859628 984407141 /nfs/dbraw/zinc/40/71/41/984407141.db2.gz RRMPBOYVQQOTEW-OAHLLOKOSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2c(Cl)cccc2nc1C)C(=O)[O-] ZINC001588859762 984408069 /nfs/dbraw/zinc/40/80/69/984408069.db2.gz WBSUTBBKZSNQOL-OAHLLOKOSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001588859729 984408143 /nfs/dbraw/zinc/40/81/43/984408143.db2.gz VGXLNROHGPJFML-HNNXBMFYSA-N -1 0 348.786 2.721 20 30 EFEDRM C=CCOC[C@@H](NCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC001588865898 984420592 /nfs/dbraw/zinc/42/05/92/984420592.db2.gz FKEDAWUEXFQIKM-CQSZACIVSA-N -1 0 337.322 2.970 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001588869540 984439250 /nfs/dbraw/zinc/43/92/50/984439250.db2.gz JUBOJTUEYZISMZ-APWZRJJASA-N -1 0 345.395 2.729 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC001588869677 984440394 /nfs/dbraw/zinc/44/03/94/984440394.db2.gz URLMMDHWXNPHNG-OAHLLOKOSA-N -1 0 347.392 2.877 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001588873631 984444747 /nfs/dbraw/zinc/44/47/47/984444747.db2.gz DWRCYITWAANGJN-INIZCTEOSA-N -1 0 331.393 2.798 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001588873680 984445454 /nfs/dbraw/zinc/44/54/54/984445454.db2.gz GZIBPPNHRJEFHN-GOEBONIOSA-N -1 0 332.400 2.694 20 30 EFEDRM C=CCOc1ccc(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1Cl ZINC001588873801 984445810 /nfs/dbraw/zinc/44/58/10/984445810.db2.gz LZFWBVXEZQMSJJ-NHYWBVRUSA-N -1 0 325.792 2.579 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001588874003 984447133 /nfs/dbraw/zinc/44/71/33/984447133.db2.gz QWTCPSJBUKSYEB-OAHLLOKOSA-N -1 0 332.400 2.552 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588874115 984447648 /nfs/dbraw/zinc/44/76/48/984447648.db2.gz XICRTMXOULFZIG-LLVKDONJSA-N -1 0 346.408 2.826 20 30 EFEDRM C=CCOc1ccc(CC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC001588874986 984450043 /nfs/dbraw/zinc/45/00/43/984450043.db2.gz OEYWQRNDLSBYJG-UHFFFAOYSA-N -1 0 325.364 2.912 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588878600 984454464 /nfs/dbraw/zinc/45/44/64/984454464.db2.gz FMMAIJACQADHBQ-UHFFFAOYSA-N -1 0 330.315 2.665 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001588878551 984454609 /nfs/dbraw/zinc/45/46/09/984454609.db2.gz CWEMHEHUDSCCFB-UHFFFAOYSA-N -1 0 347.396 2.717 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001588879002 984456177 /nfs/dbraw/zinc/45/61/77/984456177.db2.gz QLDJJKAUIVZRLJ-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588879217 984457273 /nfs/dbraw/zinc/45/72/73/984457273.db2.gz WJMXXQFEFZKBER-UHFFFAOYSA-N -1 0 334.278 2.875 20 30 EFEDRM C=CCSCCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588879706 984458299 /nfs/dbraw/zinc/45/82/99/984458299.db2.gz KABQPJLYRXRKKV-UHFFFAOYSA-N -1 0 348.424 2.892 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C)nnc1C ZINC001588884904 984464580 /nfs/dbraw/zinc/46/45/80/984464580.db2.gz HFFVIYHUBPXUDI-UHFFFAOYSA-N -1 0 342.351 2.748 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001588886988 984474824 /nfs/dbraw/zinc/47/48/24/984474824.db2.gz WKFRYANLCMWAAA-SFHVURJKSA-N -1 0 332.400 2.592 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588889753 984481465 /nfs/dbraw/zinc/48/14/65/984481465.db2.gz COERQKBLFGFYMC-SFHVURJKSA-N -1 0 344.390 2.961 20 30 EFEDRM C=CCn1c(-c2cccn2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588889884 984482041 /nfs/dbraw/zinc/48/20/41/984482041.db2.gz GKGPIPZCRFIIQF-CQSZACIVSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN(CCC)CC(=O)[O-])c1=S ZINC001588890050 984483572 /nfs/dbraw/zinc/48/35/72/984483572.db2.gz MOZCBUBLLXOZNX-UHFFFAOYSA-N -1 0 336.417 2.614 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588895601 984495068 /nfs/dbraw/zinc/49/50/68/984495068.db2.gz JGHWTGMJIYJULA-UHFFFAOYSA-N -1 0 326.400 2.848 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588895937 984497243 /nfs/dbraw/zinc/49/72/43/984497243.db2.gz OIVGEHFYRXYQKV-UHFFFAOYSA-N -1 0 326.400 2.848 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(C)c(C(=O)[O-])o2)c1C ZINC001588895945 984497255 /nfs/dbraw/zinc/49/72/55/984497255.db2.gz COHUAYFCGIXFDM-UHFFFAOYSA-N -1 0 345.351 2.930 20 30 EFEDRM C=CCn1c(C)nnc1S[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC001588895999 984497878 /nfs/dbraw/zinc/49/78/78/984497878.db2.gz DISAIJXZQIZYPO-AWEZNQCLSA-N -1 0 349.412 2.708 20 30 EFEDRM C=CCn1c(C2CCC2)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588896293 984500319 /nfs/dbraw/zinc/50/03/19/984500319.db2.gz IBXQHSAFXWZQOV-UHFFFAOYSA-N -1 0 338.411 2.993 20 30 EFEDRM C=CCn1c(CC2CC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896673 984503701 /nfs/dbraw/zinc/50/37/01/984503701.db2.gz DPTCPABEZWXIPT-UHFFFAOYSA-N -1 0 330.388 2.653 20 30 EFEDRM C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588897895 984514183 /nfs/dbraw/zinc/51/41/83/984514183.db2.gz WQDBVXYCLYCHDJ-LBPRGKRZSA-N -1 0 340.374 2.668 20 30 EFEDRM C=CCn1c(C)nnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588898035 984515216 /nfs/dbraw/zinc/51/52/16/984515216.db2.gz YEINBPIMSDYGAA-SNVBAGLBSA-N -1 0 348.428 2.779 20 30 EFEDRM C=CCn1c(=O)c2ccsc2nc1SCC1(CC(=O)[O-])CC1 ZINC001588907174 984538178 /nfs/dbraw/zinc/53/81/78/984538178.db2.gz FRMOUUSRCLHDDD-UHFFFAOYSA-N -1 0 336.438 2.991 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC[C@H](CC(=O)[O-])C3CC3)cc2n1 ZINC001588909160 984542935 /nfs/dbraw/zinc/54/29/35/984542935.db2.gz MKYMAYFTPNMZTE-AWEZNQCLSA-N -1 0 342.399 2.845 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588917085 984565141 /nfs/dbraw/zinc/56/51/41/984565141.db2.gz OHABNXXWTHWDQO-IKGGRYGDSA-N -1 0 325.364 2.673 20 30 EFEDRM C=Cn1cc(C=NNc2cc(C(=O)[O-])ccc2Br)cn1 ZINC001588921921 984580562 /nfs/dbraw/zinc/58/05/62/984580562.db2.gz PJSOUGDFEIUINN-UHFFFAOYSA-N -1 0 335.161 2.890 20 30 EFEDRM CC#CCCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588927104 984596680 /nfs/dbraw/zinc/59/66/80/984596680.db2.gz NCKVENYVYAJGRO-UHFFFAOYSA-N -1 0 329.400 2.910 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1c(F)cc(C#N)cc1F ZINC001599887001 984648225 /nfs/dbraw/zinc/64/82/25/984648225.db2.gz IKURSYCPGGHHLH-LLVKDONJSA-N -1 0 344.317 2.952 20 30 EFEDRM C/C(=C/C(=O)[O-])Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC001588952876 984689632 /nfs/dbraw/zinc/68/96/32/984689632.db2.gz VJMRCTFVHOWFMN-WTKPLQERSA-N -1 0 347.168 2.667 20 30 EFEDRM C/C(=C/COc1cc(C#N)ccc1I)C(=O)[O-] ZINC001588991389 984915344 /nfs/dbraw/zinc/91/53/44/984915344.db2.gz UWEWJKLIFYNGOR-YWEYNIOJSA-N -1 0 343.120 2.573 20 30 EFEDRM CC(=O)[C@@](C#N)(CCSc1nc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC001589021021 985008995 /nfs/dbraw/zinc/00/89/95/985008995.db2.gz JHBQROKZAMUKIM-INIZCTEOSA-N -1 0 329.381 2.641 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cccc(C)c1F ZINC001589024635 985037481 /nfs/dbraw/zinc/03/74/81/985037481.db2.gz UHFURLRTJUMWRW-OAHLLOKOSA-N -1 0 346.358 2.538 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccccc1Cl ZINC001589024594 985037589 /nfs/dbraw/zinc/03/75/89/985037589.db2.gz SIFGUWPQQJKSFC-AWEZNQCLSA-N -1 0 348.786 2.744 20 30 EFEDRM C[C@@](NC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589114630 985361981 /nfs/dbraw/zinc/36/19/81/985361981.db2.gz BYCDUAJECIHXTN-KRWDZBQOSA-N -1 0 328.755 2.941 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)O[C@@H](C#N)C2CCCCC2)c(C(=O)[O-])c1C ZINC001589248374 985855804 /nfs/dbraw/zinc/85/58/04/985855804.db2.gz RAQFFFYKCUCRPJ-AWEZNQCLSA-N -1 0 346.383 2.782 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C(=O)N(CC#N)CCC(=O)[O-])o2)cc1 ZINC001589270631 985962795 /nfs/dbraw/zinc/96/27/95/985962795.db2.gz QQZNRCNBCGCUDE-UHFFFAOYSA-N -1 0 340.335 2.590 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001599975983 986091787 /nfs/dbraw/zinc/09/17/87/986091787.db2.gz CCLDIELTZVSAAO-UHFFFAOYSA-N -1 0 326.377 2.771 20 30 EFEDRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599976177 986093897 /nfs/dbraw/zinc/09/38/97/986093897.db2.gz PZWWQTHXYUOLKJ-UHFFFAOYSA-N -1 0 330.315 2.711 20 30 EFEDRM C[C@@](C#N)(NC(=O)CNc1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001589323691 986148728 /nfs/dbraw/zinc/14/87/28/986148728.db2.gz KHMSMXZHERIFLZ-IBGZPJMESA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@](C#N)(NC(=O)CNc1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001589323692 986148888 /nfs/dbraw/zinc/14/88/88/986148888.db2.gz KHMSMXZHERIFLZ-LJQANCHMSA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@@](C#N)(NC(=O)CNc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001589324238 986155839 /nfs/dbraw/zinc/15/58/39/986155839.db2.gz YXCATMPJDGBDLV-KRWDZBQOSA-N -1 0 343.408 2.820 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589334477 986202534 /nfs/dbraw/zinc/20/25/34/986202534.db2.gz FCWJGNSUBKTJIY-DVBBHNHCSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001589335067 986207355 /nfs/dbraw/zinc/20/73/55/986207355.db2.gz MTQSRSGWAQKYNS-PRXAMGSTSA-N -1 0 331.372 2.552 20 30 EFEDRM CCOc1cc(CN(CC#N)CCC(=O)[O-])cc(Cl)c1OC ZINC001597033730 986464994 /nfs/dbraw/zinc/46/49/94/986464994.db2.gz OFOZIFNOCNFZFR-UHFFFAOYSA-N -1 0 326.780 2.548 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001597055782 986534716 /nfs/dbraw/zinc/53/47/16/986534716.db2.gz JLJAPYGJPVJVSP-QAPCUYQASA-N -1 0 343.383 2.818 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001597055835 986536287 /nfs/dbraw/zinc/53/62/87/986536287.db2.gz LQEKFLXZXZRQPE-UHFFFAOYSA-N -1 0 329.312 2.570 20 30 EFEDRM CCOc1ccc(C#N)cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597056157 986540932 /nfs/dbraw/zinc/54/09/32/986540932.db2.gz VFDOBYRETWHBHS-UHFFFAOYSA-N -1 0 339.351 2.706 20 30 EFEDRM CCOc1ccc(NC(=O)c2ccc(C#N)c(C)n2)c(C(=O)[O-])c1F ZINC001597122931 986821572 /nfs/dbraw/zinc/82/15/72/986821572.db2.gz NRWMNXFWUQYVMW-UHFFFAOYSA-N -1 0 343.314 2.750 20 30 EFEDRM CCOc1ccc(O)c(/C=N\[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597130142 986843495 /nfs/dbraw/zinc/84/34/95/986843495.db2.gz KJMNCKWJXKMUKC-AVOSXBEYSA-N -1 0 333.384 2.622 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC001589524304 987198321 /nfs/dbraw/zinc/19/83/21/987198321.db2.gz ZGZRJCJCJVEHSH-LBPRGKRZSA-N -1 0 337.331 2.594 20 30 EFEDRM CCC(C#N)(CC)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001594721875 987206530 /nfs/dbraw/zinc/20/65/30/987206530.db2.gz GBRVNMXQNXMDEM-UHFFFAOYSA-N -1 0 340.383 2.721 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2C(=O)[O-])c1 ZINC001594725011 987225476 /nfs/dbraw/zinc/22/54/76/987225476.db2.gz IHSFPVAYULKXQP-AWEZNQCLSA-N -1 0 338.363 2.996 20 30 EFEDRM CC(C)(C#N)CC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001589554165 987298674 /nfs/dbraw/zinc/29/86/74/987298674.db2.gz VUZXUAVRAFMUOY-UHFFFAOYSA-N -1 0 326.146 2.993 20 30 EFEDRM CC(C)(C#N)CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001589554662 987301852 /nfs/dbraw/zinc/30/18/52/987301852.db2.gz KAWACYISIYHJGX-CQSZACIVSA-N -1 0 329.400 2.654 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001589558008 987308635 /nfs/dbraw/zinc/30/86/35/987308635.db2.gz KHIMUPRUYZOCTK-KXBFYZLASA-N -1 0 326.396 2.815 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001589558301 987309214 /nfs/dbraw/zinc/30/92/14/987309214.db2.gz NZAYECFFIDXNJM-UHFFFAOYSA-N -1 0 342.317 2.967 20 30 EFEDRM CC(C)(C(=O)N(CC#N)CCC(=O)[O-])c1cccc(Cl)c1F ZINC001589560796 987317393 /nfs/dbraw/zinc/31/73/93/987317393.db2.gz SDDAFFATKXKJPK-UHFFFAOYSA-N -1 0 326.755 2.584 20 30 EFEDRM CCSc1ccc(Cl)cc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001597273429 987328993 /nfs/dbraw/zinc/32/89/93/987328993.db2.gz VBCLSWCTZVZBPP-UHFFFAOYSA-N -1 0 326.805 2.892 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001597363944 987532274 /nfs/dbraw/zinc/53/22/74/987532274.db2.gz NZVGFUBOORHTHQ-LLVKDONJSA-N -1 0 325.368 2.946 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)c(C)c1C(=O)[O-] ZINC001597374198 987560746 /nfs/dbraw/zinc/56/07/46/987560746.db2.gz HSNTVSRBDQHMFN-UHFFFAOYSA-N -1 0 337.339 2.584 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001597423890 987745976 /nfs/dbraw/zinc/74/59/76/987745976.db2.gz JULSSIPZHMULOU-UHFFFAOYSA-N -1 0 349.364 2.796 20 30 EFEDRM CC(C)(C)[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC001589720517 987883586 /nfs/dbraw/zinc/88/35/86/987883586.db2.gz PEZZXKJBICLCRP-AWEZNQCLSA-N -1 0 328.328 2.926 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001597494849 988037732 /nfs/dbraw/zinc/03/77/32/988037732.db2.gz JAICVQBFKFNDHV-GOSISDBHSA-N -1 0 339.366 2.724 20 30 EFEDRM CCc1ccc(C#CC(=O)Nc2cc(CCC(=O)[O-])ccc2O)cc1 ZINC001597494741 988037980 /nfs/dbraw/zinc/03/79/80/988037980.db2.gz IGANLQZJMGPTQB-UHFFFAOYSA-N -1 0 337.375 2.962 20 30 EFEDRM CCc1ccc(C#CC(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001597495664 988044420 /nfs/dbraw/zinc/04/44/20/988044420.db2.gz ZSXMMAHUYPAVES-UHFFFAOYSA-N -1 0 344.392 2.540 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OC(=O)COc2ccc(C#N)cc2)c1 ZINC001597507158 988081517 /nfs/dbraw/zinc/08/15/17/988081517.db2.gz SLMMXKKGPBEYQE-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CC(C)(C)C[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589762060 988096363 /nfs/dbraw/zinc/09/63/63/988096363.db2.gz WMGREWJGJXTRSX-OAHLLOKOSA-N -1 0 341.367 2.790 20 30 EFEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001589780181 988149578 /nfs/dbraw/zinc/14/95/78/988149578.db2.gz PVIQRJDEWNTWLP-UHFFFAOYSA-N -1 0 344.477 2.613 20 30 EFEDRM CSc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])o2)cc1C#N ZINC001599812762 988366049 /nfs/dbraw/zinc/36/60/49/988366049.db2.gz DKMAPCAZOSOVLP-UHFFFAOYSA-N -1 0 345.380 2.571 20 30 EFEDRM CCc1ccccc1NC(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001597614686 988521432 /nfs/dbraw/zinc/52/14/32/988521432.db2.gz KEBYLJVTLWHWKW-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM CC(C)(C)OC(=O)CN(Cc1cccc(C(=O)[O-])c1C#N)C1CCC1 ZINC001589890862 988574528 /nfs/dbraw/zinc/57/45/28/988574528.db2.gz GMKYJZHJHFRJHR-UHFFFAOYSA-N -1 0 344.411 2.953 20 30 EFEDRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001599835064 988729657 /nfs/dbraw/zinc/72/96/57/988729657.db2.gz PLVFXOHIGCOBJE-NSHDSACASA-N -1 0 329.308 2.750 20 30 EFEDRM C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1CC(=O)[O-] ZINC001599853466 989050354 /nfs/dbraw/zinc/05/03/54/989050354.db2.gz UFZRMHZMYGCVLJ-GDBMZVCRSA-N -1 0 344.411 2.677 20 30 EFEDRM CCc1oc(C=NNC(=S)Nc2cccc(OC)c2)cc1C(=O)[O-] ZINC001597793183 989340920 /nfs/dbraw/zinc/34/09/20/989340920.db2.gz UILSXWHRDFOJQX-UHFFFAOYSA-N -1 0 347.396 2.869 20 30 EFEDRM CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001597828842 989494262 /nfs/dbraw/zinc/49/42/62/989494262.db2.gz KRSJWKRPSMPKBA-GFCCVEGCSA-N -1 0 343.387 2.511 20 30 EFEDRM CCn1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C1CC1 ZINC001597927374 989874680 /nfs/dbraw/zinc/87/46/80/989874680.db2.gz GSFAFUAVKJQKDK-MRXNPFEDSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(C)c(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001597933138 989892471 /nfs/dbraw/zinc/89/24/71/989892471.db2.gz BOOYPTUQMVQQGP-KRWDZBQOSA-N -1 0 326.400 2.649 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1C#N ZINC001590410029 989950600 /nfs/dbraw/zinc/95/06/00/989950600.db2.gz VOWYHMXUKRNMTM-UHFFFAOYSA-N -1 0 328.368 2.929 20 30 EFEDRM CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)C1(C(=O)[O-])CCCCC1 ZINC001597982668 990054722 /nfs/dbraw/zinc/05/47/22/990054722.db2.gz RHWKLUIEGBNXJH-YFHOEESVSA-N -1 0 333.359 2.654 20 30 EFEDRM CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001597997629 990113429 /nfs/dbraw/zinc/11/34/29/990113429.db2.gz YGLZMKVGDKYIQW-UHFFFAOYSA-N -1 0 345.355 2.547 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001590615586 990291528 /nfs/dbraw/zinc/29/15/28/990291528.db2.gz YZZMRHWVSIMYLS-UHFFFAOYSA-N -1 0 346.408 2.756 20 30 EFEDRM CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)CC(=O)[O-] ZINC001590715750 990470853 /nfs/dbraw/zinc/47/08/53/990470853.db2.gz CFJCAHXMWFHWSV-UHFFFAOYSA-N -1 0 341.411 2.858 20 30 EFEDRM CC(C)(CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001590723883 990506901 /nfs/dbraw/zinc/50/69/01/990506901.db2.gz KKSONGOYPROPLR-NSHDSACASA-N -1 0 343.305 2.572 20 30 EFEDRM CC(C)(CO)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1 ZINC001590778867 990583879 /nfs/dbraw/zinc/58/38/79/990583879.db2.gz DSUZTNPZMUTANU-CQSZACIVSA-N -1 0 339.395 2.866 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001590822137 990663409 /nfs/dbraw/zinc/66/34/09/990663409.db2.gz WLSMTAJZISGKII-UHFFFAOYSA-N -1 0 336.391 2.936 20 30 EFEDRM CC(C)(C#N)c1ccccc1Cn1cc(CC(C)(C)C(=O)[O-])nn1 ZINC001590826431 990666098 /nfs/dbraw/zinc/66/60/98/990666098.db2.gz BLCVXDKAKRQCLP-UHFFFAOYSA-N -1 0 326.400 2.781 20 30 EFEDRM CN(C)[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001598165304 990679391 /nfs/dbraw/zinc/67/93/91/990679391.db2.gz NFRQHDPOJAOTHQ-IRXDYDNUSA-N -1 0 338.363 2.530 20 30 EFEDRM CC(C)=CCC[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001590922080 990917178 /nfs/dbraw/zinc/91/71/78/990917178.db2.gz SXXYTBXYTGMKHP-LBPRGKRZSA-N -1 0 336.413 2.670 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590960380 991051212 /nfs/dbraw/zinc/05/12/12/991051212.db2.gz CFLUDBQNAIPJEE-HNNXBMFYSA-N -1 0 341.770 2.644 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001598288451 991196108 /nfs/dbraw/zinc/19/61/08/991196108.db2.gz USEZGHOZPNHNON-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM COc1ccccc1C[C@H](CNc1cc(C)c(C#N)cn1)C(=O)[O-] ZINC001599707335 991312906 /nfs/dbraw/zinc/31/29/06/991312906.db2.gz NLEFCWYUYNRKDB-CQSZACIVSA-N -1 0 325.368 2.626 20 30 EFEDRM CC(C)[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001591047015 991439172 /nfs/dbraw/zinc/43/91/72/991439172.db2.gz JGPJPCPOEWCHIL-INIZCTEOSA-N -1 0 343.335 2.996 20 30 EFEDRM CN(C)c1nc(CSCc2cccc(C(=O)[O-])c2C#N)ns1 ZINC001598352931 991454972 /nfs/dbraw/zinc/45/49/72/991454972.db2.gz VKHZTCNTAARJLD-UHFFFAOYSA-N -1 0 334.426 2.607 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001591052053 991455260 /nfs/dbraw/zinc/45/52/60/991455260.db2.gz LKNUOJKJOZDGQA-YJBOKZPZSA-N -1 0 344.411 2.579 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001591052166 991456432 /nfs/dbraw/zinc/45/64/32/991456432.db2.gz NFKYNSPDLWRUNS-VQIMIIECSA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591052180 991456692 /nfs/dbraw/zinc/45/66/92/991456692.db2.gz NWCRVRLMLHTFGI-YSVLISHTSA-N -1 0 344.411 2.531 20 30 EFEDRM COc1nc(Cl)c(/C=C/C(=O)c2cc(C(=O)[O-])cs2)n1C ZINC001599729730 991692729 /nfs/dbraw/zinc/69/27/29/991692729.db2.gz DOXLSXXYMSFLNQ-ONEGZZNKSA-N -1 0 326.761 2.738 20 30 EFEDRM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@H]1CCC[C@H]1C#N ZINC001598419441 991752760 /nfs/dbraw/zinc/75/27/60/991752760.db2.gz HFSMPDUFBRSMDT-LRDDRELGSA-N -1 0 325.368 2.673 20 30 EFEDRM CN(CCC#N)c1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001598468961 991994533 /nfs/dbraw/zinc/99/45/33/991994533.db2.gz OENHCRBBUMGVAI-UHFFFAOYSA-N -1 0 342.399 2.748 20 30 EFEDRM CC(C)CCc1nc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cs1 ZINC001591270529 992189848 /nfs/dbraw/zinc/18/98/48/992189848.db2.gz UULHQOMFSJNSAL-UHFFFAOYSA-N -1 0 331.397 2.512 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(C#N)c(Cl)n1 ZINC001591313237 992275669 /nfs/dbraw/zinc/27/56/69/992275669.db2.gz PIIUFFAZLLNSHP-UHFFFAOYSA-N -1 0 337.807 2.816 20 30 EFEDRM CC(C)COc1cccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001591401944 992479357 /nfs/dbraw/zinc/47/93/57/992479357.db2.gz XLZFPKNNNIEIFG-UHFFFAOYSA-N -1 0 330.384 2.552 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2ccccc2n1CC#N ZINC001591423167 992507376 /nfs/dbraw/zinc/50/73/76/992507376.db2.gz IIKNZCABLKFRJP-INIZCTEOSA-N -1 0 327.384 2.736 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001591507554 992659219 /nfs/dbraw/zinc/65/92/19/992659219.db2.gz GSGRSFNASJXKBW-GUYCJALGSA-N -1 0 333.436 2.642 20 30 EFEDRM CN(Cc1cccc(C#N)c1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598525467 992714480 /nfs/dbraw/zinc/71/44/80/992714480.db2.gz KSYAMVXDGBBMRN-UHFFFAOYSA-N -1 0 325.324 2.730 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001591596392 992821655 /nfs/dbraw/zinc/82/16/55/992821655.db2.gz ADVRZWSCEWIFEK-KRWDZBQOSA-N -1 0 343.427 2.979 20 30 EFEDRM CN1C(=O)CCc2cc(C=NNc3cccc(F)c3C(=O)[O-])ccc21 ZINC001598552429 993019399 /nfs/dbraw/zinc/01/93/99/993019399.db2.gz USLJTRGMTJCYMQ-UHFFFAOYSA-N -1 0 341.342 2.879 20 30 EFEDRM COc1ccc(F)cc1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599582709 993572972 /nfs/dbraw/zinc/57/29/72/993572972.db2.gz FXYQIHVUKHNUCI-QGZVFWFLSA-N -1 0 343.310 2.618 20 30 EFEDRM C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(C#N)cc1 ZINC001593070108 993617547 /nfs/dbraw/zinc/61/75/47/993617547.db2.gz OHAYFXRJNIBAJF-PNPHSEOMSA-N -1 0 327.384 2.658 20 30 EFEDRM COc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C#N ZINC001599595354 993742038 /nfs/dbraw/zinc/74/20/38/993742038.db2.gz ZZPHIZDEXPNKQR-CYBMUJFWSA-N -1 0 345.399 2.922 20 30 EFEDRM COc1ccc(OC)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599602046 993829520 /nfs/dbraw/zinc/82/95/20/993829520.db2.gz JOPDIWUXKYMNNI-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593161263 993992200 /nfs/dbraw/zinc/99/22/00/993992200.db2.gz APGDUQUHOMHYBG-CYBMUJFWSA-N -1 0 338.363 2.707 20 30 EFEDRM C[C@H](NC(=O)c1cscc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593188682 994102387 /nfs/dbraw/zinc/10/23/87/994102387.db2.gz GRGFCUCTKYWSRR-SMDDNHRTSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@H](NC(=S)NN=Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001593190403 994121259 /nfs/dbraw/zinc/12/12/59/994121259.db2.gz NDGXRNBYYQUGSV-QMMMGPOBSA-N -1 0 325.821 2.635 20 30 EFEDRM COc1ccc2ncc(C#N)c(N[C@H]3CC[C@@H](CC(=O)[O-])C3)c2c1 ZINC001599634686 994269544 /nfs/dbraw/zinc/26/95/44/994269544.db2.gz GYPGFKBKRPFFTP-YPMHNXCESA-N -1 0 325.368 2.592 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC001599634822 994271689 /nfs/dbraw/zinc/27/16/89/994271689.db2.gz HXDXZLRAFVCUQJ-GOSISDBHSA-N -1 0 325.368 2.806 20 30 EFEDRM COc1ccc2cc([C@H](C)C(=O)N(CC#N)CCC(=O)[O-])ccc2c1 ZINC001599634854 994272188 /nfs/dbraw/zinc/27/21/88/994272188.db2.gz ULYJWONHYDUBQF-ZDUSSCGKSA-N -1 0 340.379 2.779 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC(CC(=O)[O-])CC3)c2c1 ZINC001599635283 994278470 /nfs/dbraw/zinc/27/84/70/994278470.db2.gz SQTONYAMIOZSQN-UHFFFAOYSA-N -1 0 325.368 2.806 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ncc(C#N)cc1Cl ZINC001599644756 994410148 /nfs/dbraw/zinc/41/01/48/994410148.db2.gz XBWISTWWRBJYPI-UHFFFAOYSA-N -1 0 345.742 2.590 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cccc(C#N)c2)c1 ZINC001599653088 994535164 /nfs/dbraw/zinc/53/51/64/994535164.db2.gz QSQPMDVLUSSAFQ-IBGZPJMESA-N -1 0 338.363 2.687 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cccc(C#N)c2)c1 ZINC001599653089 994536022 /nfs/dbraw/zinc/53/60/22/994536022.db2.gz QSQPMDVLUSSAFQ-LJQANCHMSA-N -1 0 338.363 2.687 20 30 EFEDRM CNC(=O)c1cc2cc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2[nH]1 ZINC001598656960 994537901 /nfs/dbraw/zinc/53/79/01/994537901.db2.gz OFVAUDVMZLQSGT-KRWDZBQOSA-N -1 0 348.362 2.637 20 30 EFEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2[nH]c(=O)oc2c1 ZINC001593304489 994747637 /nfs/dbraw/zinc/74/76/37/994747637.db2.gz MPZSOGFAPIVTFA-JTQLQIEISA-N -1 0 337.335 2.954 20 30 EFEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2[nH]c(=O)oc2c1 ZINC001593304490 994748202 /nfs/dbraw/zinc/74/82/02/994748202.db2.gz MPZSOGFAPIVTFA-SNVBAGLBSA-N -1 0 337.335 2.954 20 30 EFEDRM C[C@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC001593312296 994798737 /nfs/dbraw/zinc/79/87/37/994798737.db2.gz SFZOALFMLHFSNE-NSHDSACASA-N -1 0 348.362 2.756 20 30 EFEDRM C[C@@](O)(CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC001593386336 995102544 /nfs/dbraw/zinc/10/25/44/995102544.db2.gz IDRCBPHXCRQSBV-IEBWSBKVSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@H](O)CN(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001593456754 995360820 /nfs/dbraw/zinc/36/08/20/995360820.db2.gz MBMBGTAXZUAYAF-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM COC(=O)[C@H](Sc1ccc(C#N)cn1)c1cccc(C(=O)[O-])c1 ZINC001598714052 995383773 /nfs/dbraw/zinc/38/37/73/995383773.db2.gz ZXBBOQVATZESNZ-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593612737 995817585 /nfs/dbraw/zinc/81/75/85/995817585.db2.gz ZELUKKBRIKGULS-DJJJIMSYSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)OCc1cccnc1C#N)C(=O)[O-] ZINC001593673062 996081163 /nfs/dbraw/zinc/08/11/63/996081163.db2.gz FWDIIHBJEWDLJL-NSHDSACASA-N -1 0 342.376 2.875 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593698803 996167357 /nfs/dbraw/zinc/16/73/57/996167357.db2.gz NLSOMYABCHKCQF-WBMJQRKESA-N -1 0 329.400 2.762 20 30 EFEDRM CC1(C#N)CN(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001593743133 996365579 /nfs/dbraw/zinc/36/55/79/996365579.db2.gz KKBKQPRCZPHWIM-UHFFFAOYSA-N -1 0 338.161 2.525 20 30 EFEDRM COC(=O)CCN(CC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598855069 996631590 /nfs/dbraw/zinc/63/15/90/996631590.db2.gz OGGROBBPDCMGKL-CYBMUJFWSA-N -1 0 345.182 2.508 20 30 EFEDRM COC(=O)CCN(CC#N)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598855494 996635370 /nfs/dbraw/zinc/63/53/70/996635370.db2.gz UJYGQRPKDBATAI-UHFFFAOYSA-N -1 0 342.351 2.533 20 30 EFEDRM CC1(C)CCC(C)(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001593874018 996686783 /nfs/dbraw/zinc/68/67/83/996686783.db2.gz JEBRTFFOWFJVKD-UHFFFAOYSA-N -1 0 335.448 2.993 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC001599490541 996931304 /nfs/dbraw/zinc/93/13/04/996931304.db2.gz XBMXSVJEMJSWJD-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COCc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc(C(=O)[O-])c1 ZINC001599285881 996977544 /nfs/dbraw/zinc/97/75/44/996977544.db2.gz RKIDUTVTWJHQFH-NSHDSACASA-N -1 0 331.372 2.687 20 30 EFEDRM COc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1F ZINC001599388422 996987790 /nfs/dbraw/zinc/98/77/90/996987790.db2.gz UEWVNGGXKPIZCC-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C#N)cc1 ZINC001599401196 997218455 /nfs/dbraw/zinc/21/84/55/997218455.db2.gz UMJXMECWCQHLDA-WEVVVXLNSA-N -1 0 337.331 2.926 20 30 EFEDRM COCc1nc(NC(=O)/C=C\c2ccccc2C#N)sc1C(=O)[O-] ZINC001599304920 997297537 /nfs/dbraw/zinc/29/75/37/997297537.db2.gz WXLOHZMZSOKTJD-SREVYHEPSA-N -1 0 343.364 2.511 20 30 EFEDRM CC1(/C=C/C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001593996157 997302213 /nfs/dbraw/zinc/30/22/13/997302213.db2.gz JQGBSQNLWINJRD-BQYQJAHWSA-N -1 0 328.364 2.652 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2ccc(C#N)cc2)C(=O)[O-])cc1Cl ZINC001599523809 997524766 /nfs/dbraw/zinc/52/47/66/997524766.db2.gz AHKYISWEVBCTEC-OAHLLOKOSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc([C@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])cc1O ZINC001599525710 997553905 /nfs/dbraw/zinc/55/39/05/997553905.db2.gz AWIUUUWIMSFRTP-KRWDZBQOSA-N -1 0 345.782 2.821 20 30 EFEDRM CON=Cc1ccc(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001599320531 997573371 /nfs/dbraw/zinc/57/33/71/997573371.db2.gz JKSCCFAPTFBJBO-LJQANCHMSA-N -1 0 341.363 2.866 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001599320979 997580108 /nfs/dbraw/zinc/58/01/08/997580108.db2.gz QNFGEKNNAQUDCV-UHFFFAOYSA-N -1 0 345.380 2.951 20 30 EFEDRM CO[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001599123089 997777717 /nfs/dbraw/zinc/77/77/17/997777717.db2.gz PVITXIJNUSONRH-HUUCEWRRSA-N -1 0 341.329 2.621 20 30 EFEDRM C[C@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CCCC[C@@H]1C(=O)[O-] ZINC001594055609 997787782 /nfs/dbraw/zinc/78/77/82/997787782.db2.gz GVMVYCNOHXUXIF-ACJLOTCBSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1Cl ZINC001599434584 997820672 /nfs/dbraw/zinc/82/06/72/997820672.db2.gz HIPSWMXHDWYIGW-UHFFFAOYSA-N -1 0 337.763 2.571 20 30 EFEDRM COC(=O)c1cc(CSCc2ccnc(C#N)c2)cc(C(=O)[O-])c1 ZINC001598934728 997842567 /nfs/dbraw/zinc/84/25/67/997842567.db2.gz QFKRFTZIMCERCS-UHFFFAOYSA-N -1 0 342.376 2.871 20 30 EFEDRM COc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(F)cc1C#N ZINC001599438864 997898299 /nfs/dbraw/zinc/89/82/99/997898299.db2.gz XUCLRZGJASLYRX-NSHDSACASA-N -1 0 337.351 2.574 20 30 EFEDRM COc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(F)cc1C#N ZINC001599438863 997898528 /nfs/dbraw/zinc/89/85/28/997898528.db2.gz XUCLRZGJASLYRX-LLVKDONJSA-N -1 0 337.351 2.574 20 30 EFEDRM COc1cc(NC(=O)NCc2ccc(CC#N)cc2)ccc1C(=O)[O-] ZINC001599440074 997915459 /nfs/dbraw/zinc/91/54/59/997915459.db2.gz NGWIQYIFXGIJIW-UHFFFAOYSA-N -1 0 339.351 2.781 20 30 EFEDRM COc1ccc(C=CC(=O)[O-])cc1OCC(=O)c1ccc(C#N)cc1 ZINC001599545852 997921379 /nfs/dbraw/zinc/92/13/79/997921379.db2.gz RMHXQOVYGPUBMM-UITAMQMPSA-N -1 0 337.331 2.926 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C#N)s1 ZINC001599546155 997926154 /nfs/dbraw/zinc/92/61/54/997926154.db2.gz LPJLOGBGLMYVNP-CLTKARDFSA-N -1 0 329.333 2.945 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])cc1OC ZINC001599442163 997947813 /nfs/dbraw/zinc/94/78/13/997947813.db2.gz HVYLLZXOPHCSMM-UHFFFAOYSA-N -1 0 344.298 2.665 20 30 EFEDRM COc1cc(OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1C#N ZINC001599445695 998005545 /nfs/dbraw/zinc/00/55/45/998005545.db2.gz FYDJFPCMYJRAAE-HNAYVOBHSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(OC(=O)[C@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001599446231 998014334 /nfs/dbraw/zinc/01/43/34/998014334.db2.gz PSZHGSGNSHAAJE-CQSZACIVSA-N -1 0 325.320 2.996 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001599348834 998057562 /nfs/dbraw/zinc/05/75/62/998057562.db2.gz BYYLPHDIFDDEFG-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001599348967 998060125 /nfs/dbraw/zinc/06/01/25/998060125.db2.gz FBYJTYGNVBEGAP-SJCJKPOMSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599349039 998061034 /nfs/dbraw/zinc/06/10/34/998061034.db2.gz GTQYKJCXDKHAOW-CYBMUJFWSA-N -1 0 330.384 2.530 20 30 EFEDRM COc1cc(OC)c(OC)cc1C=NNc1ccc(CC(=O)[O-])cc1 ZINC001599449145 998062104 /nfs/dbraw/zinc/06/21/04/998062104.db2.gz WJATZVORWFMYMM-UHFFFAOYSA-N -1 0 344.367 2.786 20 30 EFEDRM COc1cc(C#N)ccc1OCCN1CCc2ccc(C(=O)[O-])cc21 ZINC001599350533 998086206 /nfs/dbraw/zinc/08/62/06/998086206.db2.gz XMGNRPDUNXPLAN-UHFFFAOYSA-N -1 0 338.363 2.707 20 30 EFEDRM COc1cc(C(=O)N(CCC(=O)[O-])c2ccccc2C)ccc1C#N ZINC001599350652 998086906 /nfs/dbraw/zinc/08/69/06/998086906.db2.gz JGNMUUQGVHZBQA-UHFFFAOYSA-N -1 0 338.363 2.997 20 30 EFEDRM COc1cc(OC)cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599450785 998093817 /nfs/dbraw/zinc/09/38/17/998093817.db2.gz YZLRFCQJNFBEBG-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(C#N)cc2OC)cc(C(=O)[O-])c1 ZINC001598948306 998097840 /nfs/dbraw/zinc/09/78/40/998097840.db2.gz NVVPHVZMXHXHKI-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1cc(OCCc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001598949609 998122854 /nfs/dbraw/zinc/12/28/54/998122854.db2.gz MFSBLLPBCPGFBC-UHFFFAOYSA-N -1 0 325.320 2.665 20 30 EFEDRM COc1cc(C(=O)Nc2c(F)c(OC)ccc2C(=O)[O-])ccc1C#N ZINC001599354992 998163863 /nfs/dbraw/zinc/16/38/63/998163863.db2.gz SZQZJCMBZZMFFS-UHFFFAOYSA-N -1 0 344.298 2.665 20 30 EFEDRM COc1cc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)ccc1C#N ZINC001599355633 998173404 /nfs/dbraw/zinc/17/34/04/998173404.db2.gz DOGKBKGXHVDFPN-UHFFFAOYSA-N -1 0 340.335 2.542 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599257655 998331359 /nfs/dbraw/zinc/33/13/59/998331359.db2.gz POELHERKIAEDID-UHFFFAOYSA-N -1 0 329.356 2.530 20 30 EFEDRM COc1cc2c(cc1F)CN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001599465424 998351759 /nfs/dbraw/zinc/35/17/59/998351759.db2.gz UZCVVJROHXZAMI-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC001599367110 998352252 /nfs/dbraw/zinc/35/22/52/998352252.db2.gz DQZZSBXDAJRUIG-UHFFFAOYSA-N -1 0 341.323 2.828 20 30 EFEDRM COCCOc1cccc(C=NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001599260514 998378027 /nfs/dbraw/zinc/37/80/27/998378027.db2.gz CWMLHVAFMKAQSZ-UHFFFAOYSA-N -1 0 328.368 2.785 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599577268 998465889 /nfs/dbraw/zinc/46/58/89/998465889.db2.gz JNWWCFCPJSIUNL-OLZOCXBDSA-N -1 0 336.771 2.744 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC001599375331 998475880 /nfs/dbraw/zinc/47/58/80/998475880.db2.gz KBRCGMMYSPAFMS-NSHDSACASA-N -1 0 339.351 2.704 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](CC#N)c1ccccc1 ZINC001599377728 998515382 /nfs/dbraw/zinc/51/53/82/998515382.db2.gz LXGJMKBZWFBJQW-CQSZACIVSA-N -1 0 325.320 2.996 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccccc1OCC#N ZINC001599378932 998536136 /nfs/dbraw/zinc/53/61/36/998536136.db2.gz WYFMKWMMKVOKMS-UHFFFAOYSA-N -1 0 327.292 2.515 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599476448 998540486 /nfs/dbraw/zinc/54/04/86/998540486.db2.gz CFUFOVFLFKYYDM-CQSZACIVSA-N -1 0 345.399 2.969 20 30 EFEDRM COc1ccc(C#N)cc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001599476723 998544696 /nfs/dbraw/zinc/54/46/96/998544696.db2.gz KAZRBOJGGXMQIV-UHFFFAOYSA-N -1 0 338.363 2.660 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(/C=C/C(=O)[O-])o2)c1C ZINC001599274010 998583964 /nfs/dbraw/zinc/58/39/64/998583964.db2.gz HUOZPTQCCVTDOA-MKKAVFGOSA-N -1 0 344.367 2.733 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N ZINC001594205869 998791263 /nfs/dbraw/zinc/79/12/63/998791263.db2.gz LZUHFBIZUSQKIB-AGGWBTHJSA-N -1 0 339.395 2.879 20 30 EFEDRM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)ccc1C(=O)[O-] ZINC001574678561 1088049666 /nfs/dbraw/zinc/04/96/66/1088049666.db2.gz GPPCQYKVFAFOFI-UHFFFAOYSA-N -1 0 326.356 2.769 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)c(Cl)c1 ZINC001647157076 1089010627 /nfs/dbraw/zinc/01/06/27/1089010627.db2.gz LQZPLTJISUYNKZ-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001576999109 1089573866 /nfs/dbraw/zinc/57/38/66/1089573866.db2.gz NFXGVXXIXAQZFI-LLVKDONJSA-N -1 0 340.778 2.745 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCc2c(C)nsc2C)cc1C#N ZINC001647638497 1089668142 /nfs/dbraw/zinc/66/81/42/1089668142.db2.gz DPLGDWPWRDSFLR-UHFFFAOYSA-N -1 0 335.410 2.811 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001647701751 1089797077 /nfs/dbraw/zinc/79/70/77/1089797077.db2.gz PVOJOYIMSIQYDW-WFASDCNBSA-N -1 0 338.415 2.706 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@H](C)CCSC ZINC001647703467 1089801061 /nfs/dbraw/zinc/80/10/61/1089801061.db2.gz XNWLEXWIFHCJOC-LLVKDONJSA-N -1 0 346.460 2.515 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001647724008 1089861604 /nfs/dbraw/zinc/86/16/04/1089861604.db2.gz VVRVJQXMBCNCJF-KBMXLJTQSA-N -1 0 329.400 2.926 20 30 EFEDRM CCCCCCCNC(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001577504972 1090016945 /nfs/dbraw/zinc/01/69/45/1090016945.db2.gz HECBMMREUVRORZ-INIZCTEOSA-N -1 0 342.447 2.604 20 30 EFEDRM CCN(c1ccc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1)C(C)C ZINC001578190808 1090299385 /nfs/dbraw/zinc/29/93/85/1090299385.db2.gz SFMHVHLWRRJOLM-UHFFFAOYSA-N -1 0 349.402 2.507 20 30 EFEDRM Cc1c(C(=O)N2CCCc3cc(C#N)ccc32)cccc1-c1nn[nH]n1 ZINC001580532115 1090936799 /nfs/dbraw/zinc/93/67/99/1090936799.db2.gz NBRDEERKTVOENZ-UHFFFAOYSA-N -1 0 344.378 2.640 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(F)c1[O-] ZINC001584404916 1092156781 /nfs/dbraw/zinc/15/67/81/1092156781.db2.gz DOEWPEZCKGXGAD-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC001649690073 1092583701 /nfs/dbraw/zinc/58/37/01/1092583701.db2.gz PTKAQNMYEVCYDP-UHFFFAOYSA-N -1 0 346.433 2.546 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1cccc(Cl)c1 ZINC001649709966 1092611289 /nfs/dbraw/zinc/61/12/89/1092611289.db2.gz UBUNJOCHQFKVJM-LLVKDONJSA-N -1 0 348.811 2.820 20 30 EFEDRM Cc1oc(-c2ccccc2)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC001649923167 1092794120 /nfs/dbraw/zinc/79/41/20/1092794120.db2.gz HAKVQOZJSWXKJX-UHFFFAOYSA-N -1 0 346.408 2.864 20 30 EFEDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000796842624 1092907092 /nfs/dbraw/zinc/90/70/92/1092907092.db2.gz HJCMJSHNMBGGDV-MRXNPFEDSA-N -1 0 338.429 2.588 20 30 EFEDRM C=C1CCC(CNC(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001588462039 1092946255 /nfs/dbraw/zinc/94/62/55/1092946255.db2.gz AWAZWVXMVUZCOZ-UHFFFAOYSA-N -1 0 330.367 2.874 20 30 EFEDRM C=C(CC)CNC(=O)N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588441943 1092947453 /nfs/dbraw/zinc/94/74/53/1092947453.db2.gz KCCARCFTYJVTPH-HNNXBMFYSA-N -1 0 326.404 2.510 20 30 EFEDRM C=C(CNC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC001588444114 1092947732 /nfs/dbraw/zinc/94/77/32/1092947732.db2.gz LGGYUYKYPJOQGO-UHFFFAOYSA-N -1 0 345.406 2.728 20 30 EFEDRM C=C(C)c1cccc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC001588441802 1092947929 /nfs/dbraw/zinc/94/79/29/1092947929.db2.gz HFSSXZFECQSVBY-UHFFFAOYSA-N -1 0 335.367 2.917 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001588486965 1092948803 /nfs/dbraw/zinc/94/88/03/1092948803.db2.gz MTSGCESKMBJXGA-UHFFFAOYSA-N -1 0 346.410 2.797 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588486912 1092950027 /nfs/dbraw/zinc/95/00/27/1092950027.db2.gz MGBLFAQPOPACSC-GFCCVEGCSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001588483151 1092950248 /nfs/dbraw/zinc/95/02/48/1092950248.db2.gz AAXWDLOVIRLOFS-LLVKDONJSA-N -1 0 346.410 2.525 20 30 EFEDRM C=C[C@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588467924 1092950659 /nfs/dbraw/zinc/95/06/59/1092950659.db2.gz NRBHMYRIAUHFJL-KRWDZBQOSA-N -1 0 333.395 2.795 20 30 EFEDRM C=C[C@H](COC)Nc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC001588525976 1092951781 /nfs/dbraw/zinc/95/17/81/1092951781.db2.gz ORGCXCQEAWTHPL-GFCCVEGCSA-N -1 0 349.398 2.589 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC001588525580 1092952248 /nfs/dbraw/zinc/95/22/48/1092952248.db2.gz IRDPGXUSAFTZSU-LLVKDONJSA-N -1 0 326.404 2.681 20 30 EFEDRM C=C[C@@H](COC)Nc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC001588525977 1092952924 /nfs/dbraw/zinc/95/29/24/1092952924.db2.gz ORGCXCQEAWTHPL-LBPRGKRZSA-N -1 0 349.398 2.589 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001588539368 1092955650 /nfs/dbraw/zinc/95/56/50/1092955650.db2.gz ISCOHYMLIGXSKT-OAHLLOKOSA-N -1 0 340.431 2.756 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588547775 1092958501 /nfs/dbraw/zinc/95/85/01/1092958501.db2.gz MQSPTCZBAFSTHB-KRWDZBQOSA-N -1 0 340.379 2.947 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588600912 1092967033 /nfs/dbraw/zinc/96/70/33/1092967033.db2.gz UIDCMCHSSBLUGR-ZDUSSCGKSA-N -1 0 349.460 2.546 20 30 EFEDRM C=CCCCCSCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001588601442 1092967211 /nfs/dbraw/zinc/96/72/11/1092967211.db2.gz LTIOZHGDFWQXAT-UHFFFAOYSA-N -1 0 331.445 2.572 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)c1csc(-c2nn[nH]n2)c1 ZINC001588653635 1092975727 /nfs/dbraw/zinc/97/57/27/1092975727.db2.gz RBIKLVFKBUITKG-UHFFFAOYSA-N -1 0 331.426 2.818 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccsc1-c1nn[nH]n1 ZINC001588653386 1092976532 /nfs/dbraw/zinc/97/65/32/1092976532.db2.gz FTRUMESCZYPOLI-UHFFFAOYSA-N -1 0 343.387 2.896 20 30 EFEDRM CC#CCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001588746880 1092983931 /nfs/dbraw/zinc/98/39/31/1092983931.db2.gz ZOGPIHUTHGBLSX-UHFFFAOYSA-N -1 0 335.314 2.600 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2CCc3ccccc32)o1 ZINC001589238335 1093056329 /nfs/dbraw/zinc/05/63/29/1093056329.db2.gz UBQPMCQGCKNXHR-UHFFFAOYSA-N -1 0 337.387 2.915 20 30 EFEDRM CC(C)[C@@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)CS1 ZINC001589499866 1093094879 /nfs/dbraw/zinc/09/48/79/1093094879.db2.gz UWXZUZUKLYTLLT-JTQLQIEISA-N -1 0 337.840 2.845 20 30 EFEDRM CC(C)[C@H]1CCC[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001589507369 1093099141 /nfs/dbraw/zinc/09/91/41/1093099141.db2.gz JDLXGWGGSZAGMP-NWDGAFQWSA-N -1 0 326.408 2.545 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001650296566 1093120488 /nfs/dbraw/zinc/12/04/88/1093120488.db2.gz GHWOIEOTQFGTPM-WFASDCNBSA-N -1 0 340.431 2.952 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001650296561 1093120651 /nfs/dbraw/zinc/12/06/51/1093120651.db2.gz GHWOIEOTQFGTPM-IUODEOHRSA-N -1 0 340.431 2.952 20 30 EFEDRM CC(C)OCCON=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001589748945 1093131145 /nfs/dbraw/zinc/13/11/45/1093131145.db2.gz MWXIPQWWUHIYPR-UHFFFAOYSA-N -1 0 343.309 2.661 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3ncccc32)o1 ZINC001589774228 1093142274 /nfs/dbraw/zinc/14/22/74/1093142274.db2.gz USVPTXRUCXRWDN-UHFFFAOYSA-N -1 0 338.375 2.526 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc3cccnc32)o1 ZINC001589773826 1093142475 /nfs/dbraw/zinc/14/24/75/1093142475.db2.gz OEMZPKBFYDTNPY-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC(C)(C#N)CC2)o1 ZINC001589773392 1093142991 /nfs/dbraw/zinc/14/29/91/1093142991.db2.gz HCMFCBDFIRVLQE-UHFFFAOYSA-N -1 0 328.380 2.850 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(-c3nn[nH]n3)c2)n1 ZINC001589774192 1093143044 /nfs/dbraw/zinc/14/30/44/1093143044.db2.gz YNBOMOKVBHONBT-VIFPVBQESA-N -1 0 344.425 2.998 20 30 EFEDRM C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589914848 1093178494 /nfs/dbraw/zinc/17/84/94/1093178494.db2.gz VOZWFQPXVSIOEV-IYPWXLATSA-N -1 0 338.327 2.661 20 30 EFEDRM CCOC(=O)Nc1ccc(F)c(C([O-])=C(C#N)c2nccn2C)c1 ZINC001650440307 1093244450 /nfs/dbraw/zinc/24/44/50/1093244450.db2.gz DEVLZZYNRXOSTC-GFCCVEGCSA-N -1 0 330.319 2.618 20 30 EFEDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000588569531 1093304844 /nfs/dbraw/zinc/30/48/44/1093304844.db2.gz NCKRYVVNZPZIFG-OQFOIZHKSA-N -1 0 346.330 2.738 20 30 EFEDRM CCC(=NNc1cccc(C(=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001590359343 1093389086 /nfs/dbraw/zinc/38/90/86/1093389086.db2.gz ZBBUNLTVEHKLDU-UHFFFAOYSA-N -1 0 336.355 2.791 20 30 EFEDRM CCC1(CC)CCC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001590493700 1093454476 /nfs/dbraw/zinc/45/44/76/1093454476.db2.gz JWBMRFZTMWTTNJ-UHFFFAOYSA-N -1 0 326.408 2.689 20 30 EFEDRM CCCc1ccc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)s1 ZINC001590658949 1093532532 /nfs/dbraw/zinc/53/25/32/1093532532.db2.gz VCPAWXFLCCFKCB-UHFFFAOYSA-N -1 0 342.428 2.541 20 30 EFEDRM CCN1CCc2ccc(Nc3c(C#N)cccc3-c3nn[nH]n3)cc21 ZINC001590737386 1093560646 /nfs/dbraw/zinc/56/06/46/1093560646.db2.gz LWPYDDSTEABVSK-UHFFFAOYSA-N -1 0 331.383 2.864 20 30 EFEDRM CCc1cccc2c(CN=Nc3oc(C)nc3-c3nnn[n-]3)c[nH]c21 ZINC001590896349 1093623263 /nfs/dbraw/zinc/62/32/63/1093623263.db2.gz YPGVQSKIEHFUBZ-UHFFFAOYSA-N -1 0 336.359 2.653 20 30 EFEDRM COCCCCN=Nc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001591407693 1093718094 /nfs/dbraw/zinc/71/80/94/1093718094.db2.gz NAJHBIWGTFEVAE-UHFFFAOYSA-N -1 0 328.298 2.710 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1 ZINC001591508855 1093746123 /nfs/dbraw/zinc/74/61/23/1093746123.db2.gz HWRCAMFPXBWJGH-UHFFFAOYSA-N -1 0 349.350 2.583 20 30 EFEDRM COc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1F ZINC001591522418 1093749958 /nfs/dbraw/zinc/74/99/58/1093749958.db2.gz HYFNSEJFNWGMMP-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001591582110 1093779801 /nfs/dbraw/zinc/77/98/01/1093779801.db2.gz JTOBOYQIDMKOOR-UHFFFAOYSA-N -1 0 327.340 2.539 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC001592113110 1093985209 /nfs/dbraw/zinc/98/52/09/1093985209.db2.gz FTMDTGBVLCMILD-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1-c1nn[nH]n1 ZINC001592132237 1093990555 /nfs/dbraw/zinc/99/05/55/1093990555.db2.gz BWGVSLLEHAFWFZ-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001592334942 1094079271 /nfs/dbraw/zinc/07/92/71/1094079271.db2.gz IMKAFNDZVVWBKX-UKRRQHHQSA-N -1 0 333.399 2.827 20 30 EFEDRM Fc1ccc(C=NOCCC(F)(F)F)c(Cl)c1-c1nn[nH]n1 ZINC001592648239 1094161963 /nfs/dbraw/zinc/16/19/63/1094161963.db2.gz DTOWCRXNJGBGCU-UHFFFAOYSA-N -1 0 337.664 2.962 20 30 EFEDRM N#Cc1ccc(Sc2ccnc(-c3nnn[n-]3)n2)cc1C(F)(F)F ZINC001592697670 1094180137 /nfs/dbraw/zinc/18/01/37/1094180137.db2.gz MPHFXQXBUUPYFS-UHFFFAOYSA-N -1 0 349.301 2.698 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1ccc(F)cc1[O-] ZINC001592793813 1094188310 /nfs/dbraw/zinc/18/83/10/1094188310.db2.gz HHFSKXOZISFVOS-DAXSKMNVSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC001593282625 1094263730 /nfs/dbraw/zinc/26/37/30/1094263730.db2.gz YPVJOQWPDFYQFL-AATRIKPKSA-N -1 0 326.337 2.523 20 30 EFEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC001593283369 1094264930 /nfs/dbraw/zinc/26/49/30/1094264930.db2.gz PIBUFEUJJHIAQD-SNAWJCMRSA-N -1 0 326.337 2.523 20 30 EFEDRM O=C([O-])c1cccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC001593283387 1094265311 /nfs/dbraw/zinc/26/53/11/1094265311.db2.gz QCXJYJVRGAIMKF-PLNGDYQASA-N -1 0 326.337 2.523 20 30 EFEDRM O=C1c2cc(-c3nn[nH]n3)ccc2CC1=Cc1cc(F)c([O-])c(F)c1 ZINC001593376541 1094304547 /nfs/dbraw/zinc/30/45/47/1094304547.db2.gz TWAGWVFINNSJGN-JYOAFUTRSA-N -1 0 340.289 2.673 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(=O)n(C)[n-]1 ZINC001595455012 1094469584 /nfs/dbraw/zinc/46/95/84/1094469584.db2.gz RNFDGEIDDXCZHB-UHFFFAOYSA-N -1 0 349.350 2.745 20 30 EFEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC#C[C@H]1CCCCO1 ZINC001597456722 1094589561 /nfs/dbraw/zinc/58/95/61/1094589561.db2.gz AWWLPCJGRIVYBC-OAHLLOKOSA-N -1 0 330.384 2.641 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001599888917 1094700092 /nfs/dbraw/zinc/70/00/92/1094700092.db2.gz GHZAXUAKOKIZLH-CYBMUJFWSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1c(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cnn1CCC#N ZINC001599985192 1094701020 /nfs/dbraw/zinc/70/10/20/1094701020.db2.gz LXXKRHWVQCOPLQ-UHFFFAOYSA-N -1 0 344.396 2.995 20 30 EFEDRM N#Cc1ccc(O)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213192097 1094702879 /nfs/dbraw/zinc/70/28/79/1094702879.db2.gz NMGXZWSFBSTRPD-UHFFFAOYSA-N -1 0 325.324 2.811 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2nc(C(F)(F)F)ccc2C#N)n1C ZINC001599998640 1094710233 /nfs/dbraw/zinc/71/02/33/1094710233.db2.gz YQNBJKQNNNHRRT-UHFFFAOYSA-N -1 0 338.289 2.929 20 30 EFEDRM Cc1c(/C=C\C(=O)c2c[nH]c3cc(F)ccc23)c(C(=O)[O-])nn1C ZINC001600009773 1094718350 /nfs/dbraw/zinc/71/83/50/1094718350.db2.gz RIRDEBKTIVFFJX-WAYWQWQTSA-N -1 0 327.315 2.943 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000785234646 1094732366 /nfs/dbraw/zinc/73/23/66/1094732366.db2.gz VLNXYFBKQAEGMI-UHFFFAOYSA-N -1 0 349.383 2.650 20 30 EFEDRM Cc1c(NC(=O)NC[C@H](C)C#N)ccc(Br)c1C(=O)[O-] ZINC001600039579 1094734218 /nfs/dbraw/zinc/73/42/18/1094734218.db2.gz JQXLFIOBKZKAKC-SSDOTTSWSA-N -1 0 340.177 2.737 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1c2ccccc2C[C@@H](C)[C@H]1C(=O)[O-] ZINC001600076264 1094755742 /nfs/dbraw/zinc/75/57/42/1094755742.db2.gz QPMGNAUTZKRPBN-PXAZEXFGSA-N -1 0 335.363 2.554 20 30 EFEDRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)ncc1C#N ZINC001600086693 1094762532 /nfs/dbraw/zinc/76/25/32/1094762532.db2.gz LSVRXUFWVPIHES-GOSISDBHSA-N -1 0 341.342 2.521 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C)/C=C/C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001600088933 1094764757 /nfs/dbraw/zinc/76/47/57/1094764757.db2.gz YPIZHXHCGAGZKB-OXFRDRNISA-N -1 0 337.379 2.725 20 30 EFEDRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ncc1C#N ZINC001600101370 1094771402 /nfs/dbraw/zinc/77/14/02/1094771402.db2.gz FAAXPXKVCAIMSY-UHFFFAOYSA-N -1 0 341.392 2.832 20 30 EFEDRM Cc1cc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c(C)o1 ZINC001600143639 1094802732 /nfs/dbraw/zinc/80/27/32/1094802732.db2.gz PGWQJZFUEWIJKJ-JTQLQIEISA-N -1 0 348.380 2.506 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2ncc(C#N)cc2Cl)C(=O)[O-])ccc1F ZINC001600148350 1094807815 /nfs/dbraw/zinc/80/78/15/1094807815.db2.gz NRNGZYOHBJRVAE-CYBMUJFWSA-N -1 0 347.733 2.610 20 30 EFEDRM Cc1cc(C)cc([C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001600167598 1094831554 /nfs/dbraw/zinc/83/15/54/1094831554.db2.gz IGXMCLUUOHMRNP-QGZVFWFLSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(/C=C2\CCn3nccc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001600186392 1094851275 /nfs/dbraw/zinc/85/12/75/1094851275.db2.gz MUNIASXIPSOVSZ-NTEUORMPSA-N -1 0 326.352 2.633 20 30 EFEDRM Cc1cc(CN=Nc2ncnc3sc4c(c32)CCC4)[nH]c1C(=O)[O-] ZINC001600185843 1094852396 /nfs/dbraw/zinc/85/23/96/1094852396.db2.gz XAHDAEHTRBIKMS-UHFFFAOYSA-N -1 0 341.396 2.961 20 30 EFEDRM Cc1cc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)oc1C(=O)[O-] ZINC001600200823 1094872878 /nfs/dbraw/zinc/87/28/78/1094872878.db2.gz BUXBFSZXWVYZHV-LLVKDONJSA-N -1 0 343.339 2.899 20 30 EFEDRM Cc1cc(Cl)cc(C(=O)[O-])c1NC(=O)CC1(C#N)CCOCC1 ZINC001600217412 1094893665 /nfs/dbraw/zinc/89/36/65/1094893665.db2.gz GVKVKTBNERRFRJ-UHFFFAOYSA-N -1 0 336.775 2.996 20 30 EFEDRM Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001600250942 1094913818 /nfs/dbraw/zinc/91/38/18/1094913818.db2.gz ZFXNTACITCHCHT-ZDUSSCGKSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1cc(NC(=O)NC2(c3cccc(C#N)c3)CC2)ncc1C(=O)[O-] ZINC001600265923 1094926913 /nfs/dbraw/zinc/92/69/13/1094926913.db2.gz CSFQXGHEMOPKAW-UHFFFAOYSA-N -1 0 336.351 2.771 20 30 EFEDRM Cc1cc(NC(=O)NCc2cccc(OCC#N)c2)ccc1C(=O)[O-] ZINC001600271181 1094932369 /nfs/dbraw/zinc/93/23/69/1094932369.db2.gz WSLDTJWIEYBDEN-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM Cc1cc(Nc2ccc(C(=O)[O-])nc2C#N)ccc1N1CCOCC1 ZINC001600284967 1094944336 /nfs/dbraw/zinc/94/43/36/1094944336.db2.gz PIVHYXWPJGLREP-UHFFFAOYSA-N -1 0 338.367 2.540 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC001600288867 1094947712 /nfs/dbraw/zinc/94/77/12/1094947712.db2.gz JDPZBAIQYURHBE-UHFFFAOYSA-N -1 0 338.363 2.901 20 30 EFEDRM Cc1cc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1F ZINC001600303048 1094956129 /nfs/dbraw/zinc/95/61/29/1094956129.db2.gz DYLOEQCXXOMGLI-GFCCVEGCSA-N -1 0 333.363 2.595 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001600328883 1094975441 /nfs/dbraw/zinc/97/54/41/1094975441.db2.gz WOODTMOEXSSEEI-LJQANCHMSA-N -1 0 340.354 2.822 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001600328863 1094976255 /nfs/dbraw/zinc/97/62/55/1094976255.db2.gz ICBXJOBQJPETFJ-ZGKFYVQTSA-N -1 0 341.338 2.815 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001600329603 1094977643 /nfs/dbraw/zinc/97/76/43/1094977643.db2.gz VGVNLBPKOHAXSZ-FPLPWBNLSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C#N ZINC001600342988 1094986512 /nfs/dbraw/zinc/98/65/12/1094986512.db2.gz LQJOCGXXGGZTRD-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C#CC(C)(C)C ZINC001600352809 1094994864 /nfs/dbraw/zinc/99/48/64/1094994864.db2.gz NETYLYWMFLQIOZ-LBPRGKRZSA-N -1 0 331.368 2.613 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCc2c1cccc2C#N ZINC001600355377 1094997290 /nfs/dbraw/zinc/99/72/90/1094997290.db2.gz DWOWKFOAWKYURC-UHFFFAOYSA-N -1 0 335.363 2.566 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001600358959 1094999880 /nfs/dbraw/zinc/99/98/80/1094999880.db2.gz QLTNBBZRNILJLR-MRXNPFEDSA-N -1 0 335.363 2.854 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC001600358958 1094999969 /nfs/dbraw/zinc/99/99/69/1094999969.db2.gz QLTNBBZRNILJLR-INIZCTEOSA-N -1 0 335.363 2.854 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2OCC#N)cc1 ZINC001600370599 1095009501 /nfs/dbraw/zinc/00/95/01/1095009501.db2.gz BRPDVNULNVBBDW-INIZCTEOSA-N -1 0 338.363 2.843 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C(=O)[O-])cc1 ZINC001600379637 1095018886 /nfs/dbraw/zinc/01/88/86/1095018886.db2.gz GUNBVWYXMXZBFX-OAHLLOKOSA-N -1 0 341.342 2.996 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C(=O)[O-])cc1 ZINC001600379636 1095019080 /nfs/dbraw/zinc/01/90/80/1095019080.db2.gz GUNBVWYXMXZBFX-HNNXBMFYSA-N -1 0 341.342 2.996 20 30 EFEDRM Cc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1O ZINC001600401138 1095036322 /nfs/dbraw/zinc/03/63/22/1095036322.db2.gz MEZFCVLTBFVUSA-UHFFFAOYSA-N -1 0 325.320 2.556 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCc2ccc(C)c(C#N)c2)cc1C(=O)[O-] ZINC001600415012 1095048484 /nfs/dbraw/zinc/04/84/84/1095048484.db2.gz JLQZBFPMXSNQAE-UHFFFAOYSA-N -1 0 341.367 2.808 20 30 EFEDRM Cc1ccc(CNc2ccc(C(=O)[O-])nc2C#N)c(N2CCCC2)n1 ZINC001600420532 1095053596 /nfs/dbraw/zinc/05/35/96/1095053596.db2.gz JYUYXFOUQZNPFW-UHFFFAOYSA-N -1 0 337.383 2.567 20 30 EFEDRM Cc1ccc(CS(=O)(=O)Cc2ccccc2CC(=O)[O-])cc1C#N ZINC001600421929 1095055223 /nfs/dbraw/zinc/05/52/23/1095055223.db2.gz MXAYRPNVVFXWPM-UHFFFAOYSA-N -1 0 343.404 2.609 20 30 EFEDRM Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])nc2C#N)c(Cl)c1 ZINC001600448056 1095072479 /nfs/dbraw/zinc/07/24/79/1095072479.db2.gz QPDGICCHBIQZGD-UHFFFAOYSA-N -1 0 344.758 2.664 20 30 EFEDRM Cc1ccc(Nc2scnc2C(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001600464330 1095085136 /nfs/dbraw/zinc/08/51/36/1095085136.db2.gz LZAKJWBWSATDOO-UHFFFAOYSA-N -1 0 344.396 2.636 20 30 EFEDRM Cc1ccc(NN=Cc2c3c(nn2C)CCSC3)cc1C(=O)[O-] ZINC001600462798 1095085150 /nfs/dbraw/zinc/08/51/50/1095085150.db2.gz IZQUUMXJJJGMRZ-UHFFFAOYSA-N -1 0 330.413 2.662 20 30 EFEDRM Cc1ccc2c(cnn2CN(CCC#N)Cc2cccnc2)c1C(=O)[O-] ZINC001600498614 1095112578 /nfs/dbraw/zinc/11/25/78/1095112578.db2.gz RSCVRFKVADVCPP-UHFFFAOYSA-N -1 0 349.394 2.811 20 30 EFEDRM Cc1cccc(C#N)c1SCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001600509941 1095122292 /nfs/dbraw/zinc/12/22/92/1095122292.db2.gz BJQFZNSUBMWNQG-ZSOIEALJSA-N -1 0 348.449 2.850 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C)c2C)cnn1CCC#N ZINC001600518798 1095130282 /nfs/dbraw/zinc/13/02/82/1095130282.db2.gz BDMKNMAEOLZSCK-INIZCTEOSA-N -1 0 341.367 2.705 20 30 EFEDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc(C#N)ccc2Cl)n1 ZINC001600537158 1095144901 /nfs/dbraw/zinc/14/49/01/1095144901.db2.gz YEXMEULBFYTXHB-UHFFFAOYSA-N -1 0 329.743 2.647 20 30 EFEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)N(C)C[C@@H](C)C#N)c1 ZINC001600632905 1095223972 /nfs/dbraw/zinc/22/39/72/1095223972.db2.gz KFWDWYPJJZVEKB-NSHDSACASA-N -1 0 341.371 2.502 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC001600654167 1095237991 /nfs/dbraw/zinc/23/79/91/1095237991.db2.gz DHQPFTWMSNJWKR-UHFFFAOYSA-N -1 0 337.378 2.589 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccc(C#N)cc1F ZINC001600654589 1095239385 /nfs/dbraw/zinc/23/93/85/1095239385.db2.gz HTNDHUCQVDANRQ-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1csc(N[C@H](C)C(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600662806 1095245908 /nfs/dbraw/zinc/24/59/08/1095245908.db2.gz LTWJDEYBLBINEB-SNVBAGLBSA-N -1 0 345.380 2.565 20 30 EFEDRM Cc1nc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)ccc1C#N ZINC001600682777 1095256042 /nfs/dbraw/zinc/25/60/42/1095256042.db2.gz PTCQFXWFVMQZJY-UHFFFAOYSA-N -1 0 335.363 2.943 20 30 EFEDRM Cc1nc(C2CC2)oc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600693601 1095266380 /nfs/dbraw/zinc/26/63/80/1095266380.db2.gz FJRIKQKSWLWVPV-CQSZACIVSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1nc(N2CCC(CC#N)CC2)c(Br)cc1C(=O)[O-] ZINC001600708192 1095277549 /nfs/dbraw/zinc/27/75/49/1095277549.db2.gz IOKMXQMIUJFMLT-UHFFFAOYSA-N -1 0 338.205 2.981 20 30 EFEDRM Cc1nc2c(Cl)cccc2cc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600721632 1095288315 /nfs/dbraw/zinc/28/83/15/1095288315.db2.gz JFQIQOWQGQKWGN-UHFFFAOYSA-N -1 0 331.759 2.637 20 30 EFEDRM Cc1nc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC001600725650 1095292143 /nfs/dbraw/zinc/29/21/43/1095292143.db2.gz RUKYBSJTNFQWBN-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CCC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC001600762561 1095315458 /nfs/dbraw/zinc/31/54/58/1095315458.db2.gz UXAXXRFILPHQOT-LJQANCHMSA-N -1 0 338.411 2.739 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1O[C@@H](C)C(=O)[O-] ZINC001600768638 1095320727 /nfs/dbraw/zinc/32/07/27/1095320727.db2.gz MWBYWJFZTZJLHH-LXKVQUBZSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NN[C@H]1CCc2c1cccc2F ZINC001600784786 1095330722 /nfs/dbraw/zinc/33/07/22/1095330722.db2.gz SYOGEYQBFHTYME-KRWDZBQOSA-N -1 0 344.390 2.725 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Nc1cccc(C#N)c1C ZINC001600786919 1095331461 /nfs/dbraw/zinc/33/14/61/1095331461.db2.gz HTBXPDZFAHZIMT-UHFFFAOYSA-N -1 0 341.371 2.799 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796707007 1095342065 /nfs/dbraw/zinc/34/20/65/1095342065.db2.gz PTXOCPUANJHSFA-GDBMZVCRSA-N -1 0 336.457 2.956 20 30 EFEDRM Cc1nsc(N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)c1C#N ZINC001600819970 1095352422 /nfs/dbraw/zinc/35/24/22/1095352422.db2.gz SZCOLPJLZJZORP-UHFFFAOYSA-N -1 0 335.772 2.951 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1C#N ZINC001600819713 1095353076 /nfs/dbraw/zinc/35/30/76/1095353076.db2.gz IVBWOSLIZOMQPB-GFCCVEGCSA-N -1 0 348.359 2.800 20 30 EFEDRM Cc1nsc(NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1C#N ZINC001600820274 1095353112 /nfs/dbraw/zinc/35/31/12/1095353112.db2.gz VRWOHYGRRNQAOM-UHFFFAOYSA-N -1 0 342.380 2.612 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001600821747 1095355664 /nfs/dbraw/zinc/35/56/64/1095355664.db2.gz HNNQUMAAOQPDKO-UHFFFAOYSA-N -1 0 331.353 2.674 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC001600830747 1095363320 /nfs/dbraw/zinc/36/33/20/1095363320.db2.gz PHHWMXZMJFIVJI-LLVKDONJSA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CN1CCN(c2ccsc2C#N)CC1 ZINC001600830549 1095364017 /nfs/dbraw/zinc/36/40/17/1095364017.db2.gz YKCOBSWBSFEHKA-UHFFFAOYSA-N -1 0 331.397 2.542 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001600833280 1095368088 /nfs/dbraw/zinc/36/80/88/1095368088.db2.gz IPRFNYRCXIQWSS-UHFFFAOYSA-N -1 0 328.324 2.581 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCC#N)c1ccccc1 ZINC001600836203 1095370234 /nfs/dbraw/zinc/37/02/34/1095370234.db2.gz JTPQJTBGKNEHBS-CYBMUJFWSA-N -1 0 348.380 2.610 20 30 EFEDRM Cc1oc(CN(C)C(=O)Nc2cc(F)cc(C#N)c2)cc1C(=O)[O-] ZINC001600843630 1095376517 /nfs/dbraw/zinc/37/65/17/1095376517.db2.gz WDZNLCORZPNBRJ-UHFFFAOYSA-N -1 0 331.303 2.961 20 30 EFEDRM Cc1oc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001600848443 1095377314 /nfs/dbraw/zinc/37/73/14/1095377314.db2.gz QUNZDJMAFKJVIG-INIZCTEOSA-N -1 0 339.351 2.645 20 30 EFEDRM Cc1onc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1C#N ZINC001600864849 1095389512 /nfs/dbraw/zinc/38/95/12/1095389512.db2.gz ZCXKIRYQPPYEAW-UHFFFAOYSA-N -1 0 335.319 2.887 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)NCCCCC#N)nc1C(=O)[O-] ZINC001600879605 1095403918 /nfs/dbraw/zinc/40/39/18/1095403918.db2.gz MXQPSJRUEUQKLF-LLVKDONJSA-N -1 0 336.417 2.690 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001600899570 1095414421 /nfs/dbraw/zinc/41/44/21/1095414421.db2.gz NBSXHWIZOTXNIK-UHFFFAOYSA-N -1 0 329.381 2.788 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC001600902123 1095415372 /nfs/dbraw/zinc/41/53/72/1095415372.db2.gz FBILBGIYVCUWDF-VIFPVBQESA-N -1 0 331.397 2.967 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Nc1ccccc1C(=O)[O-] ZINC001600908927 1095420216 /nfs/dbraw/zinc/42/02/16/1095420216.db2.gz KTLQHCSDKBZAFX-GFCCVEGCSA-N -1 0 334.335 2.517 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C(=O)[O-])s1 ZINC001600908343 1095420317 /nfs/dbraw/zinc/42/03/17/1095420317.db2.gz ARAZMENYEGESPO-VIFPVBQESA-N -1 0 325.349 2.823 20 30 EFEDRM Cn1cc(C(=O)[O-])c(NC(=O)N[C@H](CCCC#N)c2ccccc2)n1 ZINC001600934501 1095435671 /nfs/dbraw/zinc/43/56/71/1095435671.db2.gz GNBLITYRLQQFHD-CQSZACIVSA-N -1 0 341.371 2.675 20 30 EFEDRM Cn1cc(CN=Nc2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC001600944265 1095440291 /nfs/dbraw/zinc/44/02/91/1095440291.db2.gz LDOGUVQTXDHHIJ-UHFFFAOYSA-N -1 0 327.369 2.688 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2c(Cl)nc3sccn32)cc1C(=O)[O-] ZINC001600945911 1095440373 /nfs/dbraw/zinc/44/03/73/1095440373.db2.gz NATRKWOGPVYEAH-NSCUHMNNSA-N -1 0 335.772 2.982 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2ncc(Br)s2)cc1C(=O)[O-] ZINC001600946215 1095440888 /nfs/dbraw/zinc/44/08/88/1095440888.db2.gz OYQDNRFUFBPCNW-IHWYPQMZSA-N -1 0 341.186 2.838 20 30 EFEDRM Cn1ncc(C2CCC2)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001601026615 1095472344 /nfs/dbraw/zinc/47/23/44/1095472344.db2.gz IAINSBYDAVCNSV-MRXNPFEDSA-N -1 0 339.351 2.542 20 30 EFEDRM N#C[C@@H](C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc2ccccc2n1 ZINC001601047071 1095478245 /nfs/dbraw/zinc/47/82/45/1095478245.db2.gz HZSPCOCNNIQUPD-RRFJBIMHSA-N -1 0 338.363 2.681 20 30 EFEDRM N#C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001601048414 1095479617 /nfs/dbraw/zinc/47/96/17/1095479617.db2.gz LPCXRRYQMWYAJM-HNNXBMFYSA-N -1 0 328.755 2.962 20 30 EFEDRM N#C[C@@H](COC(=O)Cc1ccccc1C(=O)[O-])Cc1cccs1 ZINC001601048243 1095479650 /nfs/dbraw/zinc/47/96/50/1095479650.db2.gz KDYRJCPWZRWOIL-LBPRGKRZSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001601049536 1095479653 /nfs/dbraw/zinc/47/96/53/1095479653.db2.gz ZIJDECLJXSGTHX-CYBMUJFWSA-N -1 0 348.362 2.972 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001601048114 1095479723 /nfs/dbraw/zinc/47/97/23/1095479723.db2.gz HLWPICHSPPFAAL-INIZCTEOSA-N -1 0 328.412 2.910 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001601049127 1095479894 /nfs/dbraw/zinc/47/98/94/1095479894.db2.gz NFZVZDRCDLKDDD-UHFFFAOYSA-N -1 0 346.814 2.880 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001601048717 1095480001 /nfs/dbraw/zinc/48/00/01/1095480001.db2.gz GUQXJXMQDKWDQJ-TZMCWYRMSA-N -1 0 341.392 2.753 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001601049714 1095480064 /nfs/dbraw/zinc/48/00/64/1095480064.db2.gz PPIFRTRVWGSJMU-CVEARBPZSA-N -1 0 341.342 2.886 20 30 EFEDRM N#C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cccc(Cl)c1Cl ZINC001601049257 1095480193 /nfs/dbraw/zinc/48/01/93/1095480193.db2.gz WBIPYTCKQQBYBF-SFNBMPIDSA-N -1 0 339.178 2.929 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC001601051241 1095481310 /nfs/dbraw/zinc/48/13/10/1095481310.db2.gz IADYZWUZPJEBSI-OAHLLOKOSA-N -1 0 327.384 2.538 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](C2CCC2)C2CCCC2)CC1 ZINC001601051423 1095481336 /nfs/dbraw/zinc/48/13/36/1095481336.db2.gz OSHSTMKKXRLHBW-OAHLLOKOSA-N -1 0 333.432 2.745 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC001601051971 1095481673 /nfs/dbraw/zinc/48/16/73/1095481673.db2.gz WSDWRKSTYVLEAL-ZDUSSCGKSA-N -1 0 345.424 2.623 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CC2CCC1CC2 ZINC001601050793 1095481867 /nfs/dbraw/zinc/48/18/67/1095481867.db2.gz MLABJRNAOTZGON-PRDDCLIZSA-N -1 0 348.428 2.604 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC001601051342 1095481904 /nfs/dbraw/zinc/48/19/04/1095481904.db2.gz LQBQRKJGJNLQCU-UHFFFAOYSA-N -1 0 341.194 2.753 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC001601054878 1095482755 /nfs/dbraw/zinc/48/27/55/1095482755.db2.gz AWXZRSFEDGBDDF-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1(CCn2nnc(-c3ccc(C(=O)[O-])cc3)n2)CCCCC1 ZINC001601054502 1095482802 /nfs/dbraw/zinc/48/28/02/1095482802.db2.gz NAPIDTRDRZINIG-UHFFFAOYSA-N -1 0 325.372 2.902 20 30 EFEDRM N#CC1(CC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)CCOCC1 ZINC001601053718 1095482913 /nfs/dbraw/zinc/48/29/13/1095482913.db2.gz PUBOKJWXVNJELY-UHFFFAOYSA-N -1 0 342.395 2.981 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC001601053344 1095482933 /nfs/dbraw/zinc/48/29/33/1095482933.db2.gz VHLGACJAJQQRFQ-UHFFFAOYSA-N -1 0 341.392 2.641 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001601055477 1095482947 /nfs/dbraw/zinc/48/29/47/1095482947.db2.gz KHNMUFYEKKLYAX-UHFFFAOYSA-N -1 0 327.167 2.824 20 30 EFEDRM N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC001601053753 1095482967 /nfs/dbraw/zinc/48/29/67/1095482967.db2.gz REUAGDCKVKHYLE-JYJNAYRXSA-N -1 0 348.443 2.721 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001601053763 1095482975 /nfs/dbraw/zinc/48/29/75/1095482975.db2.gz RRASYUCZSJOQSO-UHFFFAOYSA-N -1 0 343.261 2.808 20 30 EFEDRM N#CC1(CCCOC(=O)c2ccc(C(=O)[O-])cc2F)CCOCC1 ZINC001601054511 1095483049 /nfs/dbraw/zinc/48/30/49/1095483049.db2.gz NBZMESYJMJAEMU-UHFFFAOYSA-N -1 0 335.331 2.781 20 30 EFEDRM N#CC1(CC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCCCC1 ZINC001601054732 1095483223 /nfs/dbraw/zinc/48/32/23/1095483223.db2.gz MSIQTGIIFCPMHK-KRWDZBQOSA-N -1 0 342.395 2.728 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001601058328 1095484260 /nfs/dbraw/zinc/48/42/60/1095484260.db2.gz LJJFOWHCUWHUSH-UHFFFAOYSA-N -1 0 327.409 2.899 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(F)c3ccccc23)CC1 ZINC001601055648 1095484412 /nfs/dbraw/zinc/48/44/12/1095484412.db2.gz UTAVSLHKQABTFF-UHFFFAOYSA-N -1 0 326.327 2.809 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001601057260 1095484790 /nfs/dbraw/zinc/48/47/90/1095484790.db2.gz QNVACTJHRVKNHS-MRXNPFEDSA-N -1 0 331.372 2.946 20 30 EFEDRM N#CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCC1 ZINC001601056514 1095484846 /nfs/dbraw/zinc/48/48/46/1095484846.db2.gz MHZQBYXLURFANP-UHFFFAOYSA-N -1 0 337.763 2.619 20 30 EFEDRM N#CC1(NC(=O)CNc2ccc(Cl)c(C(=O)[O-])c2Cl)CCC1 ZINC001601057123 1095484950 /nfs/dbraw/zinc/48/49/50/1095484950.db2.gz MYUAKAIBDTWUHU-UHFFFAOYSA-N -1 0 342.182 2.666 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCCCC1 ZINC001601056770 1095485065 /nfs/dbraw/zinc/48/50/65/1095485065.db2.gz ZNMSOUFUNQNJDK-UHFFFAOYSA-N -1 0 341.411 2.927 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601059349 1095486546 /nfs/dbraw/zinc/48/65/46/1095486546.db2.gz XUGVLUKVIJLYPF-KRWDZBQOSA-N -1 0 341.392 2.539 20 30 EFEDRM N#CC[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001601061533 1095486709 /nfs/dbraw/zinc/48/67/09/1095486709.db2.gz VSTOHOOJSDLJPJ-ZWKOTPCHSA-N -1 0 336.391 2.886 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001601059555 1095486716 /nfs/dbraw/zinc/48/67/16/1095486716.db2.gz HASDGOPYQZHFMK-QMMMGPOBSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCC1(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001601061876 1095486767 /nfs/dbraw/zinc/48/67/67/1095486767.db2.gz IJMIGRDRLWSPQV-OAHLLOKOSA-N -1 0 341.411 2.798 20 30 EFEDRM N#CCCC[C@H](NS(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001601064534 1095487881 /nfs/dbraw/zinc/48/78/81/1095487881.db2.gz AGJRPJZCFPDZHF-AWEZNQCLSA-N -1 0 348.380 2.691 20 30 EFEDRM N#CCC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001601066959 1095488053 /nfs/dbraw/zinc/48/80/53/1095488053.db2.gz SJJHJGVFSWMJMV-CYBMUJFWSA-N -1 0 344.396 2.937 20 30 EFEDRM N#CCCCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001601065873 1095488211 /nfs/dbraw/zinc/48/82/11/1095488211.db2.gz YCZIFZRIPWHHKK-UHFFFAOYSA-N -1 0 326.150 2.573 20 30 EFEDRM N#CCC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001601066964 1095488525 /nfs/dbraw/zinc/48/85/25/1095488525.db2.gz SJJHJGVFSWMJMV-ZDUSSCGKSA-N -1 0 344.396 2.937 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC001601071204 1095489485 /nfs/dbraw/zinc/48/94/85/1095489485.db2.gz VQINNZCLBJUEPX-UHFFFAOYSA-N -1 0 336.338 2.603 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC001601072115 1095489682 /nfs/dbraw/zinc/48/96/82/1095489682.db2.gz KBZWREAMEUFTQV-KRWDZBQOSA-N -1 0 330.384 2.514 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C=O)s2)cc1 ZINC001601070774 1095489759 /nfs/dbraw/zinc/48/97/59/1095489759.db2.gz VLRAXZAVILBUQV-UHFFFAOYSA-N -1 0 342.376 2.668 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001601070875 1095489845 /nfs/dbraw/zinc/48/98/45/1095489845.db2.gz YNMYKCKXONPEJB-UHFFFAOYSA-N -1 0 334.681 2.799 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(Sc2ccccc2)CCCC1 ZINC001601070909 1095489853 /nfs/dbraw/zinc/48/98/53/1095489853.db2.gz LETJKZWBENMNLK-UHFFFAOYSA-N -1 0 332.425 2.918 20 30 EFEDRM N#CCOc1cccc(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001601075150 1095490978 /nfs/dbraw/zinc/49/09/78/1095490978.db2.gz BMKVKASNMCXDFZ-CABCVRRESA-N -1 0 331.372 2.744 20 30 EFEDRM N#CCOc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001601075786 1095491085 /nfs/dbraw/zinc/49/10/85/1095491085.db2.gz QDUWDXDOMOAQPF-UHFFFAOYSA-N -1 0 342.395 2.630 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccnc(C(=O)[O-])c1 ZINC001601074262 1095491458 /nfs/dbraw/zinc/49/14/58/1095491458.db2.gz PNTVHSCYTNTCTC-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(OCc2ccccc2F)nc1 ZINC001601073072 1095491550 /nfs/dbraw/zinc/49/15/50/1095491550.db2.gz ZVULKTZILSWGHX-UHFFFAOYSA-N -1 0 343.358 2.600 20 30 EFEDRM N#CCN(CCCCOc1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC001601073325 1095491608 /nfs/dbraw/zinc/49/16/08/1095491608.db2.gz PESNNGQBLKISEI-UHFFFAOYSA-N -1 0 330.306 2.775 20 30 EFEDRM N#CCOc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001601073774 1095491642 /nfs/dbraw/zinc/49/16/42/1095491642.db2.gz ABFMVUTZAMQYBE-ZDUSSCGKSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001601075261 1095491705 /nfs/dbraw/zinc/49/17/05/1095491705.db2.gz FOFJBRDVCWFFRA-UHFFFAOYSA-N -1 0 331.353 2.670 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001601076120 1095491748 /nfs/dbraw/zinc/49/17/48/1095491748.db2.gz OAMOSIQELWALDZ-UHFFFAOYSA-N -1 0 336.303 2.516 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001601073996 1095491890 /nfs/dbraw/zinc/49/18/90/1095491890.db2.gz UJDJQDGSRVHPLP-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCSc1ccccc1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC001601076346 1095492671 /nfs/dbraw/zinc/49/26/71/1095492671.db2.gz XYHFXENYZFPLQW-CQSZACIVSA-N -1 0 347.440 2.570 20 30 EFEDRM N#CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001601077020 1095492835 /nfs/dbraw/zinc/49/28/35/1095492835.db2.gz HQNUZENLHZJHBE-QGZVFWFLSA-N -1 0 337.379 2.960 20 30 EFEDRM N#CCSCCCOC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001601076258 1095493130 /nfs/dbraw/zinc/49/31/30/1095493130.db2.gz XCMJXOIRSLYMOV-UHFFFAOYSA-N -1 0 332.381 2.530 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001601076445 1095493644 /nfs/dbraw/zinc/49/36/44/1095493644.db2.gz IHGHFMGYMXHPMY-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM N#Cc1c(Cl)nsc1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601080767 1095494475 /nfs/dbraw/zinc/49/44/75/1095494475.db2.gz IQNBEAZJEHXVFP-UHFFFAOYSA-N -1 0 333.760 2.855 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601079082 1095494735 /nfs/dbraw/zinc/49/47/35/1095494735.db2.gz MJMFSQGYAOSGML-AWEZNQCLSA-N -1 0 328.393 2.630 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001601079632 1095494750 /nfs/dbraw/zinc/49/47/50/1095494750.db2.gz OPQXEWWTTHLFIL-SMDDNHRTSA-N -1 0 333.413 2.818 20 30 EFEDRM N#Cc1c(COC(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001601080363 1095495001 /nfs/dbraw/zinc/49/50/01/1095495001.db2.gz KJTYNZXQQNUMBY-UHFFFAOYSA-N -1 0 326.264 2.522 20 30 EFEDRM N#Cc1c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cccc1C(=O)[O-] ZINC001601081892 1095496047 /nfs/dbraw/zinc/49/60/47/1095496047.db2.gz QMSBLKZXAVKFSE-CYBMUJFWSA-N -1 0 330.775 2.553 20 30 EFEDRM N#Cc1c(CN2CCOC[C@H]2c2cccc(F)c2)cccc1C(=O)[O-] ZINC001601081565 1095496118 /nfs/dbraw/zinc/49/61/18/1095496118.db2.gz IMHISFZJXYACTA-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1F ZINC001601081587 1095496619 /nfs/dbraw/zinc/49/66/19/1095496619.db2.gz XIXHAKIPESJZIP-UHFFFAOYSA-N -1 0 342.301 2.733 20 30 EFEDRM N#Cc1c(F)cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1F ZINC001601081473 1095496906 /nfs/dbraw/zinc/49/69/06/1095496906.db2.gz VJVMDCVVLXEJJK-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NCc3ccc(CC(=O)[O-])cc3)ccc12 ZINC001601084835 1095497523 /nfs/dbraw/zinc/49/75/23/1095497523.db2.gz GGQVRZOZIFSCHA-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#Cc1c(COC(=O)Cc2cc(F)c(F)cc2F)cccc1C(=O)[O-] ZINC001601083817 1095497588 /nfs/dbraw/zinc/49/75/88/1095497588.db2.gz SYGYAQFWAHGJSZ-UHFFFAOYSA-N -1 0 349.264 2.960 20 30 EFEDRM N#Cc1c(NC(=O)c2cccc(CC(=O)[O-])c2)sc2c1CCC2 ZINC001601084248 1095497682 /nfs/dbraw/zinc/49/76/82/1095497682.db2.gz PMPPDYIICIFONU-UHFFFAOYSA-N -1 0 326.377 2.988 20 30 EFEDRM N#Cc1c2c(cn(Cc3cccc(C(=O)[O-])c3Cl)c1=O)CCC2 ZINC001601084300 1095498046 /nfs/dbraw/zinc/49/80/46/1095498046.db2.gz QWIGWNCJYDGXIL-UHFFFAOYSA-N -1 0 328.755 2.609 20 30 EFEDRM N#Cc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)ccc1F ZINC001601084513 1095498106 /nfs/dbraw/zinc/49/81/06/1095498106.db2.gz GWWBHDAJDXMZPR-UHFFFAOYSA-N -1 0 330.290 2.958 20 30 EFEDRM N#Cc1c(N)sc2c1CCN(c1ncc(C(=O)[O-])cc1Cl)C2 ZINC001601083068 1095498191 /nfs/dbraw/zinc/49/81/91/1095498191.db2.gz LLIBVOMCBLFLKB-UHFFFAOYSA-N -1 0 334.788 2.511 20 30 EFEDRM N#Cc1cc(Cl)cc(OCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001601086906 1095499105 /nfs/dbraw/zinc/49/91/05/1095499105.db2.gz NHDRIVHUNZNQGU-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001601086814 1095499134 /nfs/dbraw/zinc/49/91/34/1095499134.db2.gz JQFNIHMUVBACAU-UONOGXRCSA-N -1 0 337.759 2.667 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC001601085941 1095499625 /nfs/dbraw/zinc/49/96/25/1095499625.db2.gz QUTSNFHSBOXJBW-CQSZACIVSA-N -1 0 346.745 2.949 20 30 EFEDRM N#Cc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)co1 ZINC001601088415 1095500836 /nfs/dbraw/zinc/50/08/36/1095500836.db2.gz VSLXYRHJDRJMEF-UHFFFAOYSA-N -1 0 336.097 2.831 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NCCc2ccccc2C(=O)[O-])c(F)c1 ZINC001601088404 1095500999 /nfs/dbraw/zinc/50/09/99/1095500999.db2.gz UCWBPOLZPWCMTM-UHFFFAOYSA-N -1 0 330.290 2.507 20 30 EFEDRM N#Cc1cc(F)ccc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601088724 1095501032 /nfs/dbraw/zinc/50/10/32/1095501032.db2.gz FRYFIFAPXKJGOH-JKSUJKDBSA-N -1 0 326.327 2.708 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC001601088585 1095501172 /nfs/dbraw/zinc/50/11/72/1095501172.db2.gz YWAOBKNCBWGXFY-XPTSAGLGSA-N -1 0 325.290 2.663 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)CCC(=O)[O-])ccc1Oc1ccccc1 ZINC001601089589 1095501274 /nfs/dbraw/zinc/50/12/74/1095501274.db2.gz SIQSRKBCOQXEFK-UHFFFAOYSA-N -1 0 346.364 2.567 20 30 EFEDRM N#Cc1cc(NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001601090502 1095502321 /nfs/dbraw/zinc/50/23/21/1095502321.db2.gz FLKHIOZVDJQVBI-LLVKDONJSA-N -1 0 335.316 2.947 20 30 EFEDRM N#Cc1ccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601091759 1095502650 /nfs/dbraw/zinc/50/26/50/1095502650.db2.gz CJSCMNLFHCRDBM-UHFFFAOYSA-N -1 0 344.754 2.719 20 30 EFEDRM N#Cc1cc(O)cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001601089650 1095502831 /nfs/dbraw/zinc/50/28/31/1095502831.db2.gz URFAUCXQTPALKK-UHFFFAOYSA-N -1 0 338.363 2.771 20 30 EFEDRM N#Cc1cc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC001601090175 1095503035 /nfs/dbraw/zinc/50/30/35/1095503035.db2.gz NBGJZIGAYMXRFM-NKWVEPMBSA-N -1 0 349.290 2.617 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601091683 1095503044 /nfs/dbraw/zinc/50/30/44/1095503044.db2.gz YFVZHIVKIDGUHO-UHFFFAOYSA-N -1 0 330.347 2.762 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)[nH]1 ZINC001601092277 1095503669 /nfs/dbraw/zinc/50/36/69/1095503669.db2.gz JMLDUESGJPDLNH-UHFFFAOYSA-N -1 0 337.379 2.679 20 30 EFEDRM N#Cc1ccc(=O)n(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC001601092753 1095503764 /nfs/dbraw/zinc/50/37/64/1095503764.db2.gz KYUMXYGRJUSONW-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])cc1 ZINC001601093650 1095503842 /nfs/dbraw/zinc/50/38/42/1095503842.db2.gz WMXVFMPUHIICIP-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)nc1Cl ZINC001601092531 1095503914 /nfs/dbraw/zinc/50/39/14/1095503914.db2.gz MWFOYSSSDYHACN-OBJOEFQTSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1 ZINC001601093684 1095503976 /nfs/dbraw/zinc/50/39/76/1095503976.db2.gz XTRGIJNZRYWOSQ-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCCc3nc(C(=O)[O-])ccc32)cc1Cl ZINC001601092319 1095504018 /nfs/dbraw/zinc/50/40/18/1095504018.db2.gz KCNQXFNEHUAVPL-UHFFFAOYSA-N -1 0 341.754 2.898 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC001601094039 1095504360 /nfs/dbraw/zinc/50/43/60/1095504360.db2.gz FEPGPWRVPNIVRR-BAQGIRSFSA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C\c2ccnc(Cl)c2)C(=O)[O-])cc1 ZINC001601095735 1095505561 /nfs/dbraw/zinc/50/55/61/1095505561.db2.gz ANYRBSFCNRAWSH-UYZDIKGJSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(Cc2ccc(F)cc2C(=O)[O-])c1=O ZINC001601095440 1095507222 /nfs/dbraw/zinc/50/72/22/1095507222.db2.gz QPFMPHMDDRCSOS-UHFFFAOYSA-N -1 0 340.232 2.624 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001601096559 1095508412 /nfs/dbraw/zinc/50/84/12/1095508412.db2.gz XLJLIJYLSCQOJB-OAHLLOKOSA-N -1 0 345.738 2.687 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCNc3ccccc32)C(=O)[O-])cc1 ZINC001601095978 1095508481 /nfs/dbraw/zinc/50/84/81/1095508481.db2.gz JETCLCGLXJYQFZ-WBVHZDCISA-N -1 0 336.347 2.827 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCOC3(CCCC3)C2)C(=O)[O-])cc1 ZINC001601096552 1095508551 /nfs/dbraw/zinc/50/85/51/1095508551.db2.gz XFDHQRIVWFYLDC-HZPDHXFCSA-N -1 0 343.379 2.967 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC001601097190 1095508579 /nfs/dbraw/zinc/50/85/79/1095508579.db2.gz ABDWALQYPYTXSF-QGZVFWFLSA-N -1 0 348.402 2.650 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCCCCC(=O)C2)C(=O)[O-])cc1 ZINC001601096165 1095508878 /nfs/dbraw/zinc/50/88/78/1095508878.db2.gz POFCEXQRACTZHL-ZBFHGGJFSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001601098213 1095510469 /nfs/dbraw/zinc/51/04/69/1095510469.db2.gz UOMSOIZTMHETOZ-UHFFFAOYSA-N -1 0 349.390 2.567 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cccc3c2CC(=O)CC3)C(=O)[O-])cc1 ZINC001601099956 1095511496 /nfs/dbraw/zinc/51/14/96/1095511496.db2.gz XMKSKPOORMIQST-SFHVURJKSA-N -1 0 349.342 2.599 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)CC2)cc1 ZINC001601099398 1095511532 /nfs/dbraw/zinc/51/15/32/1095511532.db2.gz OWPQFPVVUBLBOX-UHFFFAOYSA-N -1 0 346.386 2.873 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2coc(C3CCC3)n2)C(=O)[O-])cc1 ZINC001601099243 1095511711 /nfs/dbraw/zinc/51/17/11/1095511711.db2.gz KLDGBUXHVAOCOZ-AWEZNQCLSA-N -1 0 326.308 2.796 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC001601099867 1095511763 /nfs/dbraw/zinc/51/17/63/1095511763.db2.gz RLOJZOOLLSQNQZ-ZDUSSCGKSA-N -1 0 340.360 2.744 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@@H](CC3CC3)C(=O)[O-])CCCC2)cc1 ZINC001601099674 1095512189 /nfs/dbraw/zinc/51/21/89/1095512189.db2.gz TYFSYLVFMMTYFY-INIZCTEOSA-N -1 0 326.396 2.740 20 30 EFEDRM N#Cc1ccc(COC(=O)CCCn2ccc(C(=O)[O-])n2)c(Cl)c1 ZINC001601102875 1095512921 /nfs/dbraw/zinc/51/29/21/1095512921.db2.gz ZTKFYIPBLCQOGA-UHFFFAOYSA-N -1 0 347.758 2.630 20 30 EFEDRM N#Cc1ccc(COc2ccc(C(=O)[O-])cc2C=O)c([N+](=O)[O-])c1 ZINC001601102558 1095512952 /nfs/dbraw/zinc/51/29/52/1095512952.db2.gz SWKJBPLXXWAICG-UHFFFAOYSA-N -1 0 326.264 2.556 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCC2(C(=O)[O-])CCCCC2)c(F)c1 ZINC001601101671 1095513183 /nfs/dbraw/zinc/51/31/83/1095513183.db2.gz ZDWJYFUXFZVPNO-UHFFFAOYSA-N -1 0 333.363 2.532 20 30 EFEDRM N#Cc1ccc(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)o1 ZINC001601103118 1095513320 /nfs/dbraw/zinc/51/33/20/1095513320.db2.gz DHQILWJXWSUHOK-LBPRGKRZSA-N -1 0 348.405 2.950 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601101196 1095513432 /nfs/dbraw/zinc/51/34/32/1095513432.db2.gz BVNRGIZIVGFFSL-COMQUAJESA-N -1 0 347.802 2.510 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC001601101219 1095513638 /nfs/dbraw/zinc/51/36/38/1095513638.db2.gz CVHVAJPZWVWBAR-ZDUSSCGKSA-N -1 0 347.802 2.608 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC001601101287 1095513675 /nfs/dbraw/zinc/51/36/75/1095513675.db2.gz HUXGBEJUKJBLMF-UHFFFAOYSA-N -1 0 327.365 2.543 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001601106619 1095514452 /nfs/dbraw/zinc/51/44/52/1095514452.db2.gz WLCOPONJZGVZIM-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)c(Cl)c1 ZINC001601106081 1095514604 /nfs/dbraw/zinc/51/46/04/1095514604.db2.gz NQMDFDGMSNGVBI-UHFFFAOYSA-N -1 0 344.802 2.560 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001601104846 1095514676 /nfs/dbraw/zinc/51/46/76/1095514676.db2.gz MUNZMNWTNPDLTF-BDVYOWHSSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001601103812 1095514720 /nfs/dbraw/zinc/51/47/20/1095514720.db2.gz PDJGMHGAHWNZGJ-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(F)cc1COC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001601106237 1095514814 /nfs/dbraw/zinc/51/48/14/1095514814.db2.gz PTHZQKZHLXSYJS-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccoc3C(=O)[O-])CC2)c(Cl)c1 ZINC001601106589 1095514915 /nfs/dbraw/zinc/51/49/15/1095514915.db2.gz XTNPSEUELVXKIA-UHFFFAOYSA-N -1 0 345.786 2.825 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601103673 1095515162 /nfs/dbraw/zinc/51/51/62/1095515162.db2.gz VVKOTEJOAVYUAE-QGZVFWFLSA-N -1 0 346.452 2.941 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601106392 1095515268 /nfs/dbraw/zinc/51/52/68/1095515268.db2.gz SKSUTTMUMRJECU-UHFFFAOYSA-N -1 0 329.331 2.763 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601103505 1095515536 /nfs/dbraw/zinc/51/55/36/1095515536.db2.gz GOISTIKOBQXCFB-LJQANCHMSA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1ccc(NC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c(C2CC2)c1 ZINC001601107445 1095515982 /nfs/dbraw/zinc/51/59/82/1095515982.db2.gz OCQPLXBNZRHGHI-AAEUAGOBSA-N -1 0 335.310 2.523 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c(C2CC2)c1 ZINC001601108188 1095516094 /nfs/dbraw/zinc/51/60/94/1095516094.db2.gz FMNBBRSRTDXVOH-XJKSGUPXSA-N -1 0 328.368 2.787 20 30 EFEDRM N#Cc1ccc(NC(=O)NC2CC(CC(=O)[O-])C2)cc1C(F)(F)F ZINC001601107539 1095517226 /nfs/dbraw/zinc/51/72/26/1095517226.db2.gz VTLWVODAPZHKGR-UHFFFAOYSA-N -1 0 341.289 2.952 20 30 EFEDRM N#Cc1ccc(OC2CN(c3nc(Cl)c(C(=O)[O-])s3)C2)cc1 ZINC001601109350 1095517249 /nfs/dbraw/zinc/51/72/49/1095517249.db2.gz PPVVAXIUZHTDLF-UHFFFAOYSA-N -1 0 335.772 2.634 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001601109720 1095517925 /nfs/dbraw/zinc/51/79/25/1095517925.db2.gz KARBBIKVYXMXLT-UHFFFAOYSA-N -1 0 329.352 2.515 20 30 EFEDRM N#Cc1ccc(OCc2ccc(C(=O)OCCCC(=O)[O-])o2)cc1 ZINC001601109985 1095518239 /nfs/dbraw/zinc/51/82/39/1095518239.db2.gz UMYVJMRWBFKXLH-UHFFFAOYSA-N -1 0 329.308 2.752 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2)cc1 ZINC001601111328 1095518259 /nfs/dbraw/zinc/51/82/59/1095518259.db2.gz ZXUBUDDFXJFSCA-PIIMJCKOSA-N -1 0 348.358 2.753 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC001601110750 1095518315 /nfs/dbraw/zinc/51/83/15/1095518315.db2.gz FUENROJGDNRRFC-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(OCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001601110035 1095518568 /nfs/dbraw/zinc/51/85/68/1095518568.db2.gz XCKVNWBMISTCJI-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)cc2)nc1 ZINC001601110607 1095518643 /nfs/dbraw/zinc/51/86/43/1095518643.db2.gz BDFXWNIOFBAUAU-OAHLLOKOSA-N -1 0 349.346 2.649 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)nc1 ZINC001601110604 1095518692 /nfs/dbraw/zinc/51/86/92/1095518692.db2.gz BCHZDKXICWWREI-LSDHHAIUSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(OCc2nnc(Cc3cccc(C(=O)[O-])c3)o2)cc1 ZINC001601109637 1095518786 /nfs/dbraw/zinc/51/87/86/1095518786.db2.gz GRMCOZHUTIBNSW-UHFFFAOYSA-N -1 0 335.319 2.809 20 30 EFEDRM N#Cc1ccc(SC[C@@H]2CC(C(=O)[O-])=NO2)cc1C(F)(F)F ZINC001601113385 1095518914 /nfs/dbraw/zinc/51/89/14/1095518914.db2.gz AYBZCOXPUYOJOV-QMMMGPOBSA-N -1 0 330.287 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(C(=O)[O-])c1 ZINC001601112511 1095518943 /nfs/dbraw/zinc/51/89/43/1095518943.db2.gz ARBGJGMZRIZMMR-DZGCQCFKSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001601109931 1095518953 /nfs/dbraw/zinc/51/89/53/1095518953.db2.gz CGAQVSXTRCWYIA-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1cccc(C(=O)COC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001601115504 1095519354 /nfs/dbraw/zinc/51/93/54/1095519354.db2.gz WMUWDLJISKRYKH-UHFFFAOYSA-N -1 0 337.331 2.615 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001601113923 1095519886 /nfs/dbraw/zinc/51/98/86/1095519886.db2.gz DPVCTRMTUSUTAT-GOSISDBHSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601114413 1095519961 /nfs/dbraw/zinc/51/99/61/1095519961.db2.gz CSPKLLIUKFKPLB-UHFFFAOYSA-N -1 0 335.363 2.648 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)NCc1ccc(C(=O)[O-])s1)C2 ZINC001601115403 1095520017 /nfs/dbraw/zinc/52/00/17/1095520017.db2.gz OKAMPJOOMXTMQC-UHFFFAOYSA-N -1 0 327.365 2.543 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001601114739 1095520027 /nfs/dbraw/zinc/52/00/27/1095520027.db2.gz GDRGWNHHOBAACY-KDOFPFPSSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccsc1C(=O)[O-] ZINC001601115552 1095520084 /nfs/dbraw/zinc/52/00/84/1095520084.db2.gz PZUARAGFFYZPDT-UHFFFAOYSA-N -1 0 341.392 2.709 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001601115333 1095520110 /nfs/dbraw/zinc/52/01/10/1095520110.db2.gz MJLYWUZLAQQOED-UHFFFAOYSA-N -1 0 339.395 2.658 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001601114634 1095520128 /nfs/dbraw/zinc/52/01/28/1095520128.db2.gz DXEHWJRTJLKINR-PGEKIEPBSA-N -1 0 341.411 2.878 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)Cn1cc(C(=O)[O-])c3ccccc31)CC2 ZINC001601115269 1095520220 /nfs/dbraw/zinc/52/02/20/1095520220.db2.gz LMMJEZBGWPTFIQ-UHFFFAOYSA-N -1 0 345.358 2.800 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001601113499 1095520348 /nfs/dbraw/zinc/52/03/48/1095520348.db2.gz HTWMSUPSBVLIFA-UHFFFAOYSA-N -1 0 338.388 2.938 20 30 EFEDRM N#Cc1cccc(Br)c1NCCSCCC(=O)[O-] ZINC001601115474 1095520381 /nfs/dbraw/zinc/52/03/81/1095520381.db2.gz VCPSDNSQFTVRFR-UHFFFAOYSA-N -1 0 329.219 2.941 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC001601113778 1095520392 /nfs/dbraw/zinc/52/03/92/1095520392.db2.gz UQHHPHNWUXFEIM-UHFFFAOYSA-N -1 0 340.404 2.707 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)ccc2N)C(=O)[O-])c1 ZINC001601117648 1095520939 /nfs/dbraw/zinc/52/09/39/1095520939.db2.gz MSXMDMVIVCJGOO-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)CC2 ZINC001601115927 1095521160 /nfs/dbraw/zinc/52/11/60/1095521160.db2.gz XZVIOUQBTWFBTC-JXFKEZNVSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C[C@@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC001601117057 1095521625 /nfs/dbraw/zinc/52/16/25/1095521625.db2.gz BGRKARMAHKQGDG-MAUKXSAKSA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc2ncc(/C=C3/C(=O)Nc4cc(F)c(C(=O)[O-])cc43)n2c1 ZINC001601116227 1095521759 /nfs/dbraw/zinc/52/17/59/1095521759.db2.gz OZISTRZUGYUNRG-KGVSQERTSA-N -1 0 348.293 2.536 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001601115841 1095521961 /nfs/dbraw/zinc/52/19/61/1095521961.db2.gz WHXINRLGHKVSOY-ZOBUZTSGSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3ccccc3c(=O)o2)C(=O)[O-])c1 ZINC001601117944 1095523193 /nfs/dbraw/zinc/52/31/93/1095523193.db2.gz QMAKABWFPGYETJ-MRXNPFEDSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C[C@@H]2OCc3ccccc32)C(=O)[O-])c1 ZINC001601118602 1095523270 /nfs/dbraw/zinc/52/32/70/1095523270.db2.gz YSIYSEIRKPVBBN-FUHWJXTLSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC001601119443 1095523325 /nfs/dbraw/zinc/52/33/25/1095523325.db2.gz QPMFQMHAIIASJH-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2CC(=O)c3ccccc32)C(=O)[O-])c1 ZINC001601118352 1095523739 /nfs/dbraw/zinc/52/37/39/1095523739.db2.gz JMTILEANWRODJN-DOTOQJQBSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(OC(F)F)cn2)C(=O)[O-])c1 ZINC001601118736 1095523855 /nfs/dbraw/zinc/52/38/55/1095523855.db2.gz ZPZHCOVFJFUBDT-CYBMUJFWSA-N -1 0 348.261 2.537 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C[C@@H]2OCc3ccccc32)C(=O)[O-])c1 ZINC001601118606 1095524140 /nfs/dbraw/zinc/52/41/40/1095524140.db2.gz YSIYSEIRKPVBBN-WMZOPIPTSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc([C@H]3CCC(=O)N3)c2)C(=O)[O-])c1 ZINC001601118362 1095524201 /nfs/dbraw/zinc/52/42/01/1095524201.db2.gz JPUDVZSGWJNZDS-SJLPKXTDSA-N -1 0 335.363 2.747 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001601120800 1095524946 /nfs/dbraw/zinc/52/49/46/1095524946.db2.gz MUKOBNWWYONBNN-KDJCLPLCSA-N -1 0 345.424 2.809 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2csc(NC3CC3)n2)C(=O)[O-])c1 ZINC001601120558 1095525016 /nfs/dbraw/zinc/52/50/16/1095525016.db2.gz YZSXIMCKINVFCB-CYBMUJFWSA-N -1 0 343.364 2.572 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2n[nH]c3c2CCCCC3)C(=O)[O-])c1 ZINC001601120489 1095525716 /nfs/dbraw/zinc/52/57/16/1095525716.db2.gz WQLYDZAETSERDI-MRXNPFEDSA-N -1 0 339.351 2.533 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)CCO2)c1 ZINC001601120354 1095525786 /nfs/dbraw/zinc/52/57/86/1095525786.db2.gz RRVKVXLSQRTIBJ-IBGZPJMESA-N -1 0 347.374 2.702 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601121110 1095526048 /nfs/dbraw/zinc/52/60/48/1095526048.db2.gz BQKCKPMUMFQLKY-SJORKVTESA-N -1 0 344.411 2.867 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001601121490 1095526516 /nfs/dbraw/zinc/52/65/16/1095526516.db2.gz RBFJSEZZLMVOEX-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001601123964 1095527009 /nfs/dbraw/zinc/52/70/09/1095527009.db2.gz CSJBRMSNVPGWMG-GFCCVEGCSA-N -1 0 336.319 2.654 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c1Cl ZINC001601121430 1095527099 /nfs/dbraw/zinc/52/70/99/1095527099.db2.gz OCNUSHFRZDSGFD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(NCCSCCC(=O)[O-])n2)c1 ZINC001601121429 1095527708 /nfs/dbraw/zinc/52/77/08/1095527708.db2.gz NZMRVYAWVMTTNT-UHFFFAOYSA-N -1 0 344.396 2.760 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001601124677 1095528781 /nfs/dbraw/zinc/52/87/81/1095528781.db2.gz QZOYOXPLRIWMCH-KSZLIROESA-N -1 0 334.375 2.646 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001601124047 1095529289 /nfs/dbraw/zinc/52/92/89/1095529289.db2.gz GDIKJPTVJSSAIA-UHFFFAOYSA-N -1 0 344.330 2.966 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC001601124243 1095529614 /nfs/dbraw/zinc/52/96/14/1095529614.db2.gz HIJBGHUTQWWIKA-IPMKNSEASA-N -1 0 346.386 2.700 20 30 EFEDRM N#Cc1ccnc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC001601127483 1095530222 /nfs/dbraw/zinc/53/02/22/1095530222.db2.gz OBQXGCASPNNFDQ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccccc1NC1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001601125948 1095530702 /nfs/dbraw/zinc/53/07/02/1095530702.db2.gz SOVLOXQZLTWQKD-UHFFFAOYSA-N -1 0 347.378 2.604 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001601125793 1095530733 /nfs/dbraw/zinc/53/07/33/1095530733.db2.gz JWOFXQMJDRTWIL-WBTMPAOCSA-N -1 0 326.377 2.965 20 30 EFEDRM N#Cc1ccccc1N(C(=O)Cc1ccc(C(=O)[O-])nc1)C1CCC1 ZINC001601125010 1095530759 /nfs/dbraw/zinc/53/07/59/1095530759.db2.gz BHSGLVZJJLGXHR-UHFFFAOYSA-N -1 0 335.363 2.780 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001601126624 1095530822 /nfs/dbraw/zinc/53/08/22/1095530822.db2.gz IDSPTVXOFHSABW-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1ccccc1COc1ccc(C(=O)OC2(C(=O)[O-])CC2)cc1 ZINC001601126300 1095530861 /nfs/dbraw/zinc/53/08/61/1095530861.db2.gz SVYNGEQFTUBVNL-UHFFFAOYSA-N -1 0 337.331 2.911 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601126088 1095530935 /nfs/dbraw/zinc/53/09/35/1095530935.db2.gz NOWHYKICSMBICA-FPLPWBNLSA-N -1 0 348.358 2.691 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Nc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC001601129633 1095532369 /nfs/dbraw/zinc/53/23/69/1095532369.db2.gz MFRWDYRHPFJVCD-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1cn(Cc2occc2C(=O)[O-])c2ccc(Cl)cc2c1=O ZINC001601128756 1095532425 /nfs/dbraw/zinc/53/24/25/1095532425.db2.gz CQRXDWRGFHBANI-UHFFFAOYSA-N -1 0 328.711 2.866 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601129524 1095532491 /nfs/dbraw/zinc/53/24/91/1095532491.db2.gz IJKFGWLZKXTBLB-SECBINFHSA-N -1 0 348.409 2.796 20 30 EFEDRM N#Cc1ccncc1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001601128685 1095532813 /nfs/dbraw/zinc/53/28/13/1095532813.db2.gz TXXDIGISOKBRRS-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cccnc1OC1CCC(Nc2ncc(C(=O)[O-])s2)CC1 ZINC001601128615 1095532953 /nfs/dbraw/zinc/53/29/53/1095532953.db2.gz ULUULWHLKDDEJB-UHFFFAOYSA-N -1 0 344.396 2.910 20 30 EFEDRM N#Cc1cnc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c(Cl)c1 ZINC001601131044 1095533183 /nfs/dbraw/zinc/53/31/83/1095533183.db2.gz YSCHQZCWMKKZMY-UHFFFAOYSA-N -1 0 327.731 2.793 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601130726 1095533256 /nfs/dbraw/zinc/53/32/56/1095533256.db2.gz TWSUDGWKJHLNBN-MNOVXSKESA-N -1 0 347.724 2.692 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCCN(c2ccccc2F)C1 ZINC001601133122 1095534260 /nfs/dbraw/zinc/53/42/60/1095534260.db2.gz MAPWFVGSRCFFNF-LBPRGKRZSA-N -1 0 340.358 2.871 20 30 EFEDRM N#Cc1cscc1C(=O)OCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001601132174 1095534988 /nfs/dbraw/zinc/53/49/88/1095534988.db2.gz JWHQYMYNXJQECN-UTCJRWHESA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001601131191 1095535143 /nfs/dbraw/zinc/53/51/43/1095535143.db2.gz RYYSUYTXVLKPEJ-LLVKDONJSA-N -1 0 345.305 2.715 20 30 EFEDRM N#Cc1nn([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001601136327 1095535779 /nfs/dbraw/zinc/53/57/79/1095535779.db2.gz NPNAPKJBYOHIHU-NSHDSACASA-N -1 0 341.110 2.644 20 30 EFEDRM N#Cc1nc(N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)sc1Cl ZINC001601134200 1095535977 /nfs/dbraw/zinc/53/59/77/1095535977.db2.gz LETJZROZIBZJMN-LURJTMIESA-N -1 0 340.817 2.817 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(OC2CCCC2)nc1 ZINC001601135034 1095536360 /nfs/dbraw/zinc/53/63/60/1095536360.db2.gz VCSNCWMAEMXUEB-UHFFFAOYSA-N -1 0 338.367 2.980 20 30 EFEDRM N#Cc1sc(NC(=O)NCc2ccc(C(=O)[O-])s2)nc1Cl ZINC001601136341 1095536437 /nfs/dbraw/zinc/53/64/37/1095536437.db2.gz OQUDRTRIGRFBIR-UHFFFAOYSA-N -1 0 342.789 2.750 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001601136308 1095536546 /nfs/dbraw/zinc/53/65/46/1095536546.db2.gz NGMNNGBRUVXMCB-HNNXBMFYSA-N -1 0 330.347 2.690 20 30 EFEDRM N#Cc1nc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)sc1Cl ZINC001601134495 1095536589 /nfs/dbraw/zinc/53/65/89/1095536589.db2.gz SBJWQSWMCUSTAB-OAHLLOKOSA-N -1 0 333.800 2.901 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Oc1ccc(C(=O)N2CCCC2)cc1 ZINC001601135196 1095536701 /nfs/dbraw/zinc/53/67/01/1095536701.db2.gz YSHZNRLUMKHAIR-UHFFFAOYSA-N -1 0 337.335 2.680 20 30 EFEDRM N#Cc1nc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1Cl ZINC001601133952 1095536713 /nfs/dbraw/zinc/53/67/13/1095536713.db2.gz AILSMBFCNXMTAX-KRWDZBQOSA-N -1 0 327.771 2.839 20 30 EFEDRM N#Cc1sccc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001601135852 1095536805 /nfs/dbraw/zinc/53/68/05/1095536805.db2.gz RFAMLFAGJIOTQT-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)n1 ZINC001601241534 1095572722 /nfs/dbraw/zinc/57/27/22/1095572722.db2.gz JCEYWEJTWMNMJQ-RMKNXTFCSA-N -1 0 338.363 2.513 20 30 EFEDRM O=C([O-])c1cc(Cl)cc(NC(=O)NCC#C[C@H]2CCCCO2)c1 ZINC001601447432 1095677894 /nfs/dbraw/zinc/67/78/94/1095677894.db2.gz HWVBPLOQVXEQLL-CQSZACIVSA-N -1 0 336.775 2.732 20 30 EFEDRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001601615687 1095765830 /nfs/dbraw/zinc/76/58/30/1095765830.db2.gz FVHUTGAJHSCRMS-ROUUACIJSA-N -1 0 349.390 2.856 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc(C(C)(C)C)cc1 ZINC001204673888 1095862171 /nfs/dbraw/zinc/86/21/71/1095862171.db2.gz SMHXHGXPGAPIGI-INIZCTEOSA-N -1 0 342.457 2.960 20 30 EFEDRM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1CC#Cc1ccccc1Cl ZINC001601865570 1095941091 /nfs/dbraw/zinc/94/10/91/1095941091.db2.gz XPWNWZNDXXRRPX-GOSISDBHSA-N -1 0 341.794 2.909 20 30 EFEDRM O=C([O-])COc1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC001602084391 1096053085 /nfs/dbraw/zinc/05/30/85/1096053085.db2.gz NFHRYRJBSVJEDH-KMKOMSMNSA-N -1 0 343.310 2.510 20 30 EFEDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001602105617 1096065697 /nfs/dbraw/zinc/06/56/97/1096065697.db2.gz VSAWTXLSAORKFM-GXTWGEPZSA-N -1 0 339.313 2.817 20 30 EFEDRM O=C([O-])c1cc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC001602286819 1096161736 /nfs/dbraw/zinc/16/17/36/1096161736.db2.gz QNAPUGULQBVEQB-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)nc1 ZINC001602331167 1096182460 /nfs/dbraw/zinc/18/24/60/1096182460.db2.gz WDBQYVKTKAWYKN-YVMONPNESA-N -1 0 338.363 2.513 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCCOc2ccc3c(c2)OCO3)cc1 ZINC001602332540 1096183818 /nfs/dbraw/zinc/18/38/18/1096183818.db2.gz BVFLQFDZJNWPLP-UHFFFAOYSA-N -1 0 343.335 2.933 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H](O)C3CCC3)c2)c1 ZINC001602431091 1096242583 /nfs/dbraw/zinc/24/25/83/1096242583.db2.gz VSBRLNVHDKTXHF-IBGZPJMESA-N -1 0 349.386 2.884 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@]23CCO[C@@H]2CCCC3)c1 ZINC001602430792 1096242718 /nfs/dbraw/zinc/24/27/18/1096242718.db2.gz QYVLCFCJLJZCGS-VQIMIIECSA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001602472153 1096263835 /nfs/dbraw/zinc/26/38/35/1096263835.db2.gz VODGTWJWXCNTNC-HNNXBMFYSA-N -1 0 326.352 2.999 20 30 EFEDRM O=C([O-])c1cnoc1CON=Cc1ccc(Br)cc1 ZINC001602546570 1096292016 /nfs/dbraw/zinc/29/20/16/1096292016.db2.gz SXMYDDCPANXFBP-UHFFFAOYSA-N -1 0 325.118 2.686 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC001602553749 1096295855 /nfs/dbraw/zinc/29/58/55/1096295855.db2.gz KSNOVNSTESWBMH-RQOWECAXSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC001602651995 1096339840 /nfs/dbraw/zinc/33/98/40/1096339840.db2.gz DWNCCGRDBHNLRS-UHFFFAOYSA-N -1 0 345.742 2.815 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602669859 1096344540 /nfs/dbraw/zinc/34/45/40/1096344540.db2.gz GDZUTHXGDRHBNP-VIFPVBQESA-N -1 0 326.299 2.514 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC001602670905 1096344709 /nfs/dbraw/zinc/34/47/09/1096344709.db2.gz LGRHRZQGLDLVNJ-OAGGEKHMSA-N -1 0 348.830 2.952 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001602672231 1096344830 /nfs/dbraw/zinc/34/48/30/1096344830.db2.gz BDDWGASJOQCBHK-CQSZACIVSA-N -1 0 343.770 2.607 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001602671454 1096344886 /nfs/dbraw/zinc/34/48/86/1096344886.db2.gz TXERRWZOCFJSGI-AWEZNQCLSA-N -1 0 327.336 2.861 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602675045 1096346365 /nfs/dbraw/zinc/34/63/65/1096346365.db2.gz YLQIJNOAOXHUAI-FZMZJTMJSA-N -1 0 338.766 2.802 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccccc1 ZINC001602674605 1096346604 /nfs/dbraw/zinc/34/66/04/1096346604.db2.gz TWOMUQDJNSOIQT-NQIIRXRSSA-N -1 0 348.402 2.799 20 30 EFEDRM C#C[C@H](NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C(C)C ZINC001602674266 1096347060 /nfs/dbraw/zinc/34/70/60/1096347060.db2.gz ODFCGOTUFQTLIL-HNNXBMFYSA-N -1 0 328.368 2.631 20 30 EFEDRM C#C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602677969 1096348343 /nfs/dbraw/zinc/34/83/43/1096348343.db2.gz GPZDXRFZKINJLN-ZDUSSCGKSA-N -1 0 335.718 2.804 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001602679539 1096349001 /nfs/dbraw/zinc/34/90/01/1096349001.db2.gz YEIMKHNOJBRYPS-MELADBBJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CC(C)C ZINC001602682499 1096349479 /nfs/dbraw/zinc/34/94/79/1096349479.db2.gz ADUQWSWNIUPEPI-PMPSAXMXSA-N -1 0 346.475 2.998 20 30 EFEDRM C#CC[C@@H](NC(=O)CSc1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC001602687369 1096350027 /nfs/dbraw/zinc/35/00/27/1096350027.db2.gz MGNBBCCELQMRAS-OAHLLOKOSA-N -1 0 339.416 2.623 20 30 EFEDRM C#CC[C@@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001602687730 1096350038 /nfs/dbraw/zinc/35/00/38/1096350038.db2.gz UNJMEMDKRSZXLP-GOSISDBHSA-N -1 0 349.386 2.909 20 30 EFEDRM C#CC[C@@H](NC(=O)C(CC)(CC)COCc1ccccc1)C(=O)[O-] ZINC001602685821 1096350119 /nfs/dbraw/zinc/35/01/19/1096350119.db2.gz ZYBYXNCQOGOIOD-MRXNPFEDSA-N -1 0 331.412 2.602 20 30 EFEDRM C#CC[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001602687420 1096350342 /nfs/dbraw/zinc/35/03/42/1096350342.db2.gz NGVAEGVOAWUKPJ-KRWDZBQOSA-N -1 0 337.375 2.715 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001602683661 1096350377 /nfs/dbraw/zinc/35/03/77/1096350377.db2.gz SDORUSPTWRVVKP-VIFPVBQESA-N -1 0 342.754 2.727 20 30 EFEDRM C#C[C@@H](NC(=O)c1csc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC001602689244 1096350837 /nfs/dbraw/zinc/35/08/37/1096350837.db2.gz POMGCQOXQRWFKR-GFCCVEGCSA-N -1 0 343.799 2.686 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[nH]n1 ZINC001602690285 1096350880 /nfs/dbraw/zinc/35/08/80/1096350880.db2.gz SZTAVEBOBDKAKW-VIFPVBQESA-N -1 0 332.433 2.711 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C(C)C ZINC001602689430 1096351708 /nfs/dbraw/zinc/35/17/08/1096351708.db2.gz RDXVGUOFFFMDEK-GOSISDBHSA-N -1 0 345.406 2.921 20 30 EFEDRM C#C[C@@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC001602689807 1096351826 /nfs/dbraw/zinc/35/18/26/1096351826.db2.gz LVBKRLFEUSXBNG-ZDUSSCGKSA-N -1 0 331.379 2.675 20 30 EFEDRM C#CCC1(c2nnc(N3CC[C@H](C(=O)[O-])C3)n2CC=C)CCCCC1 ZINC001602700121 1096352714 /nfs/dbraw/zinc/35/27/14/1096352714.db2.gz QSYRKKXKCLSRQZ-HNNXBMFYSA-N -1 0 342.443 2.600 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCOCC1 ZINC001602700100 1096352942 /nfs/dbraw/zinc/35/29/42/1096352942.db2.gz QHTMTEILXRHZBW-UHFFFAOYSA-N -1 0 344.411 2.743 20 30 EFEDRM C#CCCCCCCOC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001602711495 1096354640 /nfs/dbraw/zinc/35/46/40/1096354640.db2.gz VZHGEZPCFLUUKC-UHFFFAOYSA-N -1 0 334.326 2.885 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602708503 1096355198 /nfs/dbraw/zinc/35/51/98/1096355198.db2.gz SMZAEPYNWDIWDH-QGZVFWFLSA-N -1 0 335.359 2.917 20 30 EFEDRM C#CCCCc1nnc(N2CCC(CCC(=O)[O-])CC2)n1CC1CC1 ZINC001602710167 1096355224 /nfs/dbraw/zinc/35/52/24/1096355224.db2.gz COYOACOTNGBIRR-UHFFFAOYSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCCOC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001602707961 1096355257 /nfs/dbraw/zinc/35/52/57/1096355257.db2.gz AOBORHUALUVDOI-GFCCVEGCSA-N -1 0 340.173 2.667 20 30 EFEDRM C#CCN(C(=O)NCc1cc(C(=O)[O-])c(C)n1C)C1CCCCC1 ZINC001602711900 1096355320 /nfs/dbraw/zinc/35/53/20/1096355320.db2.gz ZPUBHOZRYSOZCE-UHFFFAOYSA-N -1 0 331.416 2.509 20 30 EFEDRM C#CCN(C)C(=O)C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001602713686 1096355474 /nfs/dbraw/zinc/35/54/74/1096355474.db2.gz PAYOZVAWKDZZBS-UHFFFAOYSA-N -1 0 348.424 2.524 20 30 EFEDRM C#CCCCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1C(C)=O ZINC001602711279 1096355550 /nfs/dbraw/zinc/35/55/50/1096355550.db2.gz PHRXRDSESXVZCK-UHFFFAOYSA-N -1 0 325.372 2.592 20 30 EFEDRM C#CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001602713578 1096355600 /nfs/dbraw/zinc/35/56/00/1096355600.db2.gz JKNNMIGMRQQEII-UHFFFAOYSA-N -1 0 331.393 2.570 20 30 EFEDRM C#CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@H]1CCc2ccccc21 ZINC001602719518 1096356939 /nfs/dbraw/zinc/35/69/39/1096356939.db2.gz OJRHNZHBMUNZOU-SFHVURJKSA-N -1 0 336.391 2.827 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001602730379 1096357005 /nfs/dbraw/zinc/35/70/05/1096357005.db2.gz FGHYNANZWBIPNW-WCQYABFASA-N -1 0 334.347 2.603 20 30 EFEDRM C#CCN(C(=O)Nc1cccc(C(=O)[O-])c1Br)C1CC1 ZINC001602713920 1096357250 /nfs/dbraw/zinc/35/72/50/1096357250.db2.gz VMAKUHKOBLQVAO-UHFFFAOYSA-N -1 0 337.173 2.777 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001602730334 1096357339 /nfs/dbraw/zinc/35/73/39/1096357339.db2.gz BSSNHAYMCAIUNQ-GQCTYLIASA-N -1 0 329.283 2.781 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602730645 1096358064 /nfs/dbraw/zinc/35/80/64/1096358064.db2.gz XSAIHHPLFICPBM-ZDUSSCGKSA-N -1 0 348.374 2.946 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cc(C(=O)[O-])sc2C)n1 ZINC001602738078 1096358137 /nfs/dbraw/zinc/35/81/37/1096358137.db2.gz ICERGBQKBRIPOZ-UHFFFAOYSA-N -1 0 346.412 2.638 20 30 EFEDRM C#CCOc1ccccc1[C@H](C)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001602733823 1096358213 /nfs/dbraw/zinc/35/82/13/1096358213.db2.gz AHTTUZPFTPOZCF-LBPRGKRZSA-N -1 0 325.320 2.710 20 30 EFEDRM C#Cc1cccc(NC(=S)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC001602742873 1096359548 /nfs/dbraw/zinc/35/95/48/1096359548.db2.gz BFQITQJLRMDFBF-PMPSAXMXSA-N -1 0 328.437 2.940 20 30 EFEDRM C#Cc1ccccc1CC(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001602743374 1096359907 /nfs/dbraw/zinc/35/99/07/1096359907.db2.gz NWVPAYFIKKQILX-PKNBQFBNSA-N -1 0 336.343 2.922 20 30 EFEDRM C#CCn1ccc(CN(CC)[C@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001602738190 1096360292 /nfs/dbraw/zinc/36/02/92/1096360292.db2.gz NVWOCBNXKRUXGJ-INIZCTEOSA-N -1 0 349.793 2.957 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001602738833 1096360332 /nfs/dbraw/zinc/36/03/32/1096360332.db2.gz NYJCGTUFELCPOH-NRFANRHFSA-N -1 0 348.402 2.606 20 30 EFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001602749122 1096361075 /nfs/dbraw/zinc/36/10/75/1096361075.db2.gz CDBJAHBLTIEIFA-GFCCVEGCSA-N -1 0 328.368 2.987 20 30 EFEDRM C=C(C)[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001602747291 1096361204 /nfs/dbraw/zinc/36/12/04/1096361204.db2.gz NFNDEHGHFVOISC-ZDUSSCGKSA-N -1 0 347.383 2.612 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001602746890 1096361998 /nfs/dbraw/zinc/36/19/98/1096361998.db2.gz JPBUBQFJJJDTJE-XPTSAGLGSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC001602748560 1096362231 /nfs/dbraw/zinc/36/22/31/1096362231.db2.gz BXIGLCIVVWAUFD-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001602750310 1096362904 /nfs/dbraw/zinc/36/29/04/1096362904.db2.gz QPNFGGOCDLAXLV-CYBMUJFWSA-N -1 0 338.429 2.702 20 30 EFEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001602750313 1096362916 /nfs/dbraw/zinc/36/29/16/1096362916.db2.gz QPNFGGOCDLAXLV-ZDUSSCGKSA-N -1 0 338.429 2.702 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)C(=O)[O-] ZINC001602754461 1096363350 /nfs/dbraw/zinc/36/33/50/1096363350.db2.gz KDTLIMBMQNADKG-KRWDZBQOSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)C(=O)[O-] ZINC001602750827 1096364163 /nfs/dbraw/zinc/36/41/63/1096364163.db2.gz YTCAAAQWNWCWDQ-JWJUJFCLSA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(Nc2nccc(C)n2)c1)C(=O)[O-] ZINC001602754409 1096364196 /nfs/dbraw/zinc/36/41/96/1096364196.db2.gz IYNKBRPHZVXQBL-HNNXBMFYSA-N -1 0 340.383 2.678 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1scc(Br)c1C)C(=O)[O-] ZINC001602755456 1096364577 /nfs/dbraw/zinc/36/45/77/1096364577.db2.gz ULPHNFDCXRCIQQ-VIFPVBQESA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(C(=O)[O-])c1C#N ZINC001602761732 1096364592 /nfs/dbraw/zinc/36/45/92/1096364592.db2.gz BEFXVXBIILQICM-UHFFFAOYSA-N -1 0 340.379 2.920 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cccc(O[C@H](C)CC)c1)C(=O)[O-] ZINC001602757788 1096364651 /nfs/dbraw/zinc/36/46/51/1096364651.db2.gz WCWGOLJEOQNUMF-IUODEOHRSA-N -1 0 341.429 2.562 20 30 EFEDRM C=C(C)CCNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001602761021 1096365298 /nfs/dbraw/zinc/36/52/98/1096365298.db2.gz QCUYIZPAVYKJKI-UHFFFAOYSA-N -1 0 337.445 2.772 20 30 EFEDRM C=C(C)CS(=O)(=O)Oc1ccn(Cc2ccccc2)c1C(=O)[O-] ZINC001602764817 1096366393 /nfs/dbraw/zinc/36/63/93/1096366393.db2.gz SAIDULNOSAIVHS-UHFFFAOYSA-N -1 0 335.381 2.519 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001602773294 1096367238 /nfs/dbraw/zinc/36/72/38/1096367238.db2.gz TUQGQWFKSKBYNF-VBNZEHGJSA-N -1 0 338.415 2.820 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001602772066 1096367714 /nfs/dbraw/zinc/36/77/14/1096367714.db2.gz ISNJCEFQMAZPMZ-QMTHXVAHSA-N -1 0 326.295 2.687 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001602774378 1096367851 /nfs/dbraw/zinc/36/78/51/1096367851.db2.gz HYBHOTBUKNPSLC-UHFFFAOYSA-N -1 0 343.326 2.676 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602768698 1096367871 /nfs/dbraw/zinc/36/78/71/1096367871.db2.gz LBMMOFFXVSUMHV-SFHVURJKSA-N -1 0 345.447 2.638 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC001602773010 1096368181 /nfs/dbraw/zinc/36/81/81/1096368181.db2.gz IVABYWNPFNHLBV-AOOOYVTPSA-N -1 0 336.321 2.968 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCCO1 ZINC001602771553 1096368263 /nfs/dbraw/zinc/36/82/63/1096368263.db2.gz YRCWVSVRKIDZIE-ROUUACIJSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001602771594 1096368291 /nfs/dbraw/zinc/36/82/91/1096368291.db2.gz ZTLVNHQXMMZFSD-HUUCEWRRSA-N -1 0 348.447 2.787 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC001602774601 1096369190 /nfs/dbraw/zinc/36/91/90/1096369190.db2.gz SFPPTBIRWSSRIN-AWEZNQCLSA-N -1 0 325.792 2.907 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC001602777959 1096369551 /nfs/dbraw/zinc/36/95/51/1096369551.db2.gz JOKCFXBMLNVOFQ-NSHDSACASA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001602777931 1096369770 /nfs/dbraw/zinc/36/97/70/1096369770.db2.gz JAPORRPULWATQN-ZDUSSCGKSA-N -1 0 326.274 2.699 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(=O)OCC)c1ccccc1C ZINC001602783115 1096370603 /nfs/dbraw/zinc/37/06/03/1096370603.db2.gz ALGFSDABFSRSJE-HNNXBMFYSA-N -1 0 333.384 2.527 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1cc(Br)ccc1F ZINC001602783551 1096370658 /nfs/dbraw/zinc/37/06/58/1096370658.db2.gz GVUFTLKMPHPHMT-UHFFFAOYSA-N -1 0 344.180 2.668 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1OCC(F)(F)F ZINC001602784168 1096371305 /nfs/dbraw/zinc/37/13/05/1096371305.db2.gz OEZSPULDCULGSQ-UHFFFAOYSA-N -1 0 331.290 2.665 20 30 EFEDRM C=C1CC(C)(c2noc(Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])n2)C1 ZINC001602791608 1096371574 /nfs/dbraw/zinc/37/15/74/1096371574.db2.gz XXCGIUUHCXPFEJ-UHFFFAOYSA-N -1 0 329.356 2.805 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602791372 1096371608 /nfs/dbraw/zinc/37/16/08/1096371608.db2.gz MRVGMRKLVAYXNA-GFCCVEGCSA-N -1 0 340.855 2.920 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])oc2CC)CC1 ZINC001602791928 1096372507 /nfs/dbraw/zinc/37/25/07/1096372507.db2.gz GGYYSBQBIAGPHC-UHFFFAOYSA-N -1 0 327.402 2.565 20 30 EFEDRM C=C1CCC(C(=O)OCC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC001602792375 1096372532 /nfs/dbraw/zinc/37/25/32/1096372532.db2.gz VTJKPTRNPVBELU-UHFFFAOYSA-N -1 0 331.368 2.637 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001602807460 1096372935 /nfs/dbraw/zinc/37/29/35/1096372935.db2.gz LIIXSYVEAPWZCE-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CC(C)(C)CC(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001602807505 1096374191 /nfs/dbraw/zinc/37/41/91/1096374191.db2.gz NOKKBUNTUPJBIL-LBPRGKRZSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001602809522 1096375432 /nfs/dbraw/zinc/37/54/32/1096375432.db2.gz ILWMPIJPSCAPDE-HNNXBMFYSA-N -1 0 326.418 2.718 20 30 EFEDRM C=C[C@@H](Sc1nnc([C@@H](CC)N(C)C)n1CCCC)C(=O)[O-] ZINC001602828634 1096376862 /nfs/dbraw/zinc/37/68/62/1096376862.db2.gz MHOQZVLSSRGBGL-VXGBXAGGSA-N -1 0 326.466 2.822 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001602828646 1096377557 /nfs/dbraw/zinc/37/75/57/1096377557.db2.gz NBQUAMRUFLQIMH-JTQLQIEISA-N -1 0 336.775 2.544 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602828915 1096378616 /nfs/dbraw/zinc/37/86/16/1096378616.db2.gz RUSDBLCRXFDNPP-GFCCVEGCSA-N -1 0 346.408 2.662 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602837234 1096380492 /nfs/dbraw/zinc/38/04/92/1096380492.db2.gz IXISYVUKYYWUSU-WULFKBJJSA-N -1 0 326.462 2.769 20 30 EFEDRM C=CC[C@H](OC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C(=O)[O-] ZINC001602845366 1096382597 /nfs/dbraw/zinc/38/25/97/1096382597.db2.gz NGEKXYHBRTWUCH-ZDUSSCGKSA-N -1 0 348.330 2.689 20 30 EFEDRM C=CC[C@H](OC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC001602845911 1096382752 /nfs/dbraw/zinc/38/27/52/1096382752.db2.gz YYGJWGABCJLJLU-HNNXBMFYSA-N -1 0 336.359 2.738 20 30 EFEDRM C=CC[C@@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)C(=O)[O-] ZINC001602845207 1096383037 /nfs/dbraw/zinc/38/30/37/1096383037.db2.gz LNEFATPUFIIKOT-SWLSCSKDSA-N -1 0 328.372 2.524 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCC1 ZINC001602851582 1096383970 /nfs/dbraw/zinc/38/39/70/1096383970.db2.gz QVRDYYINVHGPAP-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CCCC1 ZINC001602851618 1096384116 /nfs/dbraw/zinc/38/41/16/1096384116.db2.gz RWQUEBBJBZTXFM-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)[O-] ZINC001602850761 1096384621 /nfs/dbraw/zinc/38/46/21/1096384621.db2.gz YZOAHYMWVBRWHJ-GFCCVEGCSA-N -1 0 348.384 2.995 20 30 EFEDRM C=CC[C@H](OC(=O)c1sc([C@H]2CCCOC2)nc1C)C(=O)[O-] ZINC001602850444 1096384724 /nfs/dbraw/zinc/38/47/24/1096384724.db2.gz VIKZPKQSNYJRSG-QWRGUYRKSA-N -1 0 325.386 2.532 20 30 EFEDRM C=CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)c1ccccc1 ZINC001602856203 1096385320 /nfs/dbraw/zinc/38/53/20/1096385320.db2.gz YFSNPBMXYGJCLC-IXDOHACOSA-N -1 0 331.412 2.590 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001602855182 1096385486 /nfs/dbraw/zinc/38/54/86/1096385486.db2.gz JGRYWFQCWQPVFN-MGPQQGTHSA-N -1 0 326.462 2.581 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001602855831 1096385986 /nfs/dbraw/zinc/38/59/86/1096385986.db2.gz FBWRXKZPSDIMSM-CYBMUJFWSA-N -1 0 346.427 2.922 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001602855387 1096386186 /nfs/dbraw/zinc/38/61/86/1096386186.db2.gz OUUXHDPLMGTBAR-ZYHUDNBSSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001602860690 1096386967 /nfs/dbraw/zinc/38/69/67/1096386967.db2.gz MLPVTENSGQDNKY-LBPRGKRZSA-N -1 0 332.400 2.747 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602860322 1096387704 /nfs/dbraw/zinc/38/77/04/1096387704.db2.gz ARQOTYJLPXZFCN-LBPRGKRZSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001602860384 1096387749 /nfs/dbraw/zinc/38/77/49/1096387749.db2.gz DIHBVTYJDGCOHO-GFCCVEGCSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCC[C@@H]1NC(=O)N(c2cccc(SCCC(=O)[O-])c2)C1=O ZINC001602860842 1096387767 /nfs/dbraw/zinc/38/77/67/1096387767.db2.gz RSCBPEFAKOCPDG-ZDUSSCGKSA-N -1 0 334.397 2.644 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001602856714 1096388189 /nfs/dbraw/zinc/38/81/89/1096388189.db2.gz FYNJAIAWLFNMCX-UHFFFAOYSA-N -1 0 332.400 2.503 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC001602865703 1096388721 /nfs/dbraw/zinc/38/87/21/1096388721.db2.gz PITRXLDDIJZEIX-IAGOWNOFSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCC(=O)[O-] ZINC001602865265 1096388737 /nfs/dbraw/zinc/38/87/37/1096388737.db2.gz HGHZQWKSULFYAU-ZDUSSCGKSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001602860885 1096388972 /nfs/dbraw/zinc/38/89/72/1096388972.db2.gz TYQSLUKIYBPORX-LBPRGKRZSA-N -1 0 332.400 2.801 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC001602862895 1096389017 /nfs/dbraw/zinc/38/90/17/1096389017.db2.gz JPZDPSHQNIAVCW-JSGCOSHPSA-N -1 0 337.803 2.817 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001602863867 1096389628 /nfs/dbraw/zinc/38/96/28/1096389628.db2.gz URZUDEUZXFGDRI-QWHCGFSZSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001602872083 1096390580 /nfs/dbraw/zinc/39/05/80/1096390580.db2.gz PIBVRCUIVLEOKB-JTQLQIEISA-N -1 0 344.726 2.927 20 30 EFEDRM C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602875007 1096390619 /nfs/dbraw/zinc/39/06/19/1096390619.db2.gz PWUBJPPOFYKBAV-CABCVRRESA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccccn2)nc1)C(=O)[O-] ZINC001602873137 1096390728 /nfs/dbraw/zinc/39/07/28/1096390728.db2.gz ZUQWLBGDICFDJM-INIZCTEOSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[O-] ZINC001602873135 1096390967 /nfs/dbraw/zinc/39/09/67/1096390967.db2.gz ZUCBCIKCGGYMRY-CYBMUJFWSA-N -1 0 331.347 2.755 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)[O-] ZINC001602870148 1096390978 /nfs/dbraw/zinc/39/09/78/1096390978.db2.gz FMRPVTICXCMIPC-LBPRGKRZSA-N -1 0 349.770 2.986 20 30 EFEDRM C=CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H](C)COC ZINC001602887310 1096391388 /nfs/dbraw/zinc/39/13/88/1096391388.db2.gz PLYMJLBEKKONLX-LLVKDONJSA-N -1 0 331.372 2.921 20 30 EFEDRM C=CCN(C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)[C@@H](C)COC ZINC001602887483 1096391522 /nfs/dbraw/zinc/39/15/22/1096391522.db2.gz XMEAQMVHLBVSNN-LBPRGKRZSA-N -1 0 336.388 2.586 20 30 EFEDRM C=CCCCS(=O)(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001602880218 1096391565 /nfs/dbraw/zinc/39/15/65/1096391565.db2.gz GJMFCDVYFRGRSV-UHFFFAOYSA-N -1 0 348.218 2.855 20 30 EFEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)COC ZINC001602887446 1096391636 /nfs/dbraw/zinc/39/16/36/1096391636.db2.gz WOKGPDQEOZFVFT-VIFPVBQESA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001602880482 1096392239 /nfs/dbraw/zinc/39/22/39/1096392239.db2.gz OOFGMTYDULKLOS-DLBZAZTESA-N -1 0 347.411 2.793 20 30 EFEDRM C=CCCCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001602875124 1096392392 /nfs/dbraw/zinc/39/23/92/1096392392.db2.gz XMMNLRXEXVTGDN-UHFFFAOYSA-N -1 0 327.384 2.900 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(F)c(C#N)c2Cl)C(C(=O)[O-])=C1C ZINC001602898232 1096393149 /nfs/dbraw/zinc/39/31/49/1096393149.db2.gz NIDKVZDYOFQXLF-AWEZNQCLSA-N -1 0 349.749 2.962 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001602893608 1096394014 /nfs/dbraw/zinc/39/40/14/1096394014.db2.gz IBUSGKWDHXIACZ-QAQDUYKDSA-N -1 0 326.396 2.964 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC001602906054 1096396047 /nfs/dbraw/zinc/39/60/47/1096396047.db2.gz BDOYOEIXDSDFLH-LBPRGKRZSA-N -1 0 344.419 2.613 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C)C(=O)[O-] ZINC001602910272 1096396865 /nfs/dbraw/zinc/39/68/65/1096396865.db2.gz SVJAPKYIWRFQPJ-YCPHGPKFSA-N -1 0 331.412 2.748 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(O)cc(F)c2)o1 ZINC001602911874 1096398860 /nfs/dbraw/zinc/39/88/60/1096398860.db2.gz JNXODNYPYREUBM-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM Cc1csc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)n1 ZINC001602912205 1096398979 /nfs/dbraw/zinc/39/89/79/1096398979.db2.gz OAOODFFJGUQUEK-UHFFFAOYSA-N -1 0 332.393 2.579 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602920776 1096399503 /nfs/dbraw/zinc/39/95/03/1096399503.db2.gz XBLRUFNNABRJEI-UHFFFAOYSA-N -1 0 347.392 2.950 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccc(C)nc1 ZINC001602926106 1096400879 /nfs/dbraw/zinc/40/08/79/1096400879.db2.gz PSMCTHTUQMPAMC-UHFFFAOYSA-N -1 0 341.363 2.973 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001602921942 1096400967 /nfs/dbraw/zinc/40/09/67/1096400967.db2.gz XMUIHBLLPLBDEZ-CABCVRRESA-N -1 0 340.397 2.603 20 30 EFEDRM C=CC[S@@](=O)(=NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001602925121 1096401133 /nfs/dbraw/zinc/40/11/33/1096401133.db2.gz RHPPYUDXIKFJQS-QHCPKHFHSA-N -1 0 330.365 2.633 20 30 EFEDRM C=CCOc1cccc(NC(=O)NCCc2ncc(C(=O)[O-])s2)c1 ZINC001602921791 1096401144 /nfs/dbraw/zinc/40/11/44/1096401144.db2.gz SOLGOAYUJBMGSF-UHFFFAOYSA-N -1 0 347.396 2.770 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1 ZINC001602921826 1096401166 /nfs/dbraw/zinc/40/11/66/1096401166.db2.gz VABZDMMVVMNNFR-BHTHQVBYSA-N -1 0 330.384 2.872 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc(OC)c1OC ZINC001602926049 1096401343 /nfs/dbraw/zinc/40/13/43/1096401343.db2.gz MZDVZWKHUKBFJU-DOMZBBRYSA-N -1 0 347.411 2.806 20 30 EFEDRM C=CCOc1ccc(C(=O)O[C@@H](C)c2nc(C(=O)[O-])co2)cc1OC ZINC001602922030 1096401351 /nfs/dbraw/zinc/40/13/51/1096401351.db2.gz IWWQKOHUAXZTGL-JTQLQIEISA-N -1 0 347.323 2.864 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001602921870 1096401393 /nfs/dbraw/zinc/40/13/93/1096401393.db2.gz CWJWJVGAUAPEKO-UHFFFAOYSA-N -1 0 348.380 2.805 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncccc1F ZINC001602926729 1096402142 /nfs/dbraw/zinc/40/21/42/1096402142.db2.gz KRVIIQVWLHQQBE-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM C=CCn1c(-c2cc(F)ccc2C)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001602929824 1096402317 /nfs/dbraw/zinc/40/23/17/1096402317.db2.gz FQDIPIUKPHLOCS-KRWDZBQOSA-N -1 0 348.353 2.582 20 30 EFEDRM C=CCn1c(C)nn(CN2CCc3cc(C(=O)[O-])ccc3C2)c1=S ZINC001602931851 1096402424 /nfs/dbraw/zinc/40/24/24/1096402424.db2.gz CZKLVFUPVUGXLX-UHFFFAOYSA-N -1 0 344.440 2.623 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001602930364 1096402643 /nfs/dbraw/zinc/40/26/43/1096402643.db2.gz RHUCWZYYJFHDBK-UGSOOPFHSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCn1c([C@H](CC)OCC)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602931434 1096403032 /nfs/dbraw/zinc/40/30/32/1096403032.db2.gz ULQLCXXRZFQCQQ-DEYYWGMASA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602937647 1096403622 /nfs/dbraw/zinc/40/36/22/1096403622.db2.gz FAVLTJIJXIVMMO-HRCADAONSA-N -1 0 338.411 2.646 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001602940202 1096403704 /nfs/dbraw/zinc/40/37/04/1096403704.db2.gz PTYLXWBQPVHORW-ZBFHGGJFSA-N -1 0 341.363 2.833 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001602942110 1096403748 /nfs/dbraw/zinc/40/37/48/1096403748.db2.gz QSTXIVMMUQJBIR-WLTAIBSBSA-N -1 0 328.723 2.739 20 30 EFEDRM C=CCn1c(Sc2ccnc(C(=O)[O-])n2)nnc1-c1ccccc1 ZINC001602937906 1096403815 /nfs/dbraw/zinc/40/38/15/1096403815.db2.gz NEEKWHOOTZDHDY-UHFFFAOYSA-N -1 0 339.380 2.771 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001602940168 1096403848 /nfs/dbraw/zinc/40/38/48/1096403848.db2.gz OFMSVYVXQHGPCN-CABCVRRESA-N -1 0 335.425 2.924 20 30 EFEDRM C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C(F)(F)c1ccccc1 ZINC001602937360 1096403905 /nfs/dbraw/zinc/40/39/05/1096403905.db2.gz WVVRFPJDGRDEAF-LBPRGKRZSA-N -1 0 348.353 2.515 20 30 EFEDRM C=CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C(C)(C)CC#N ZINC001602937308 1096404038 /nfs/dbraw/zinc/40/40/38/1096404038.db2.gz USSPEUNDNBEUJL-UHFFFAOYSA-N -1 0 345.447 2.737 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)cc21 ZINC001602939728 1096404122 /nfs/dbraw/zinc/40/41/22/1096404122.db2.gz BAJVKLSZOGXTMX-OCCSQVGLSA-N -1 0 342.399 2.987 20 30 EFEDRM C=CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001602937778 1096404266 /nfs/dbraw/zinc/40/42/66/1096404266.db2.gz GLOYSTCTBGXDLM-OAHLLOKOSA-N -1 0 342.399 2.650 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001602951745 1096404839 /nfs/dbraw/zinc/40/48/39/1096404839.db2.gz XULAOPPQWKPOCB-AWNIVKPZSA-N -1 0 330.428 2.976 20 30 EFEDRM CC(=NOCc1nnc(C2CC2)s1)c1ccc(OCC(=O)[O-])cc1 ZINC001602993800 1096417722 /nfs/dbraw/zinc/41/77/22/1096417722.db2.gz QLAZTNVYZJFNKJ-UHFFFAOYSA-N -1 0 347.396 2.820 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001603099165 1096440085 /nfs/dbraw/zinc/44/00/85/1096440085.db2.gz AIIYVOIHLDKHHV-JXFKEZNVSA-N -1 0 348.358 2.958 20 30 EFEDRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC001603102984 1096442775 /nfs/dbraw/zinc/44/27/75/1096442775.db2.gz GNDLFGGWSBYLJO-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001603132277 1096454836 /nfs/dbraw/zinc/45/48/36/1096454836.db2.gz WDEULQNJVBMJTQ-GXMKHXEJSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001603132348 1096455160 /nfs/dbraw/zinc/45/51/60/1096455160.db2.gz XOGCHOAPHZMMNJ-VVSAWPALSA-N -1 0 343.383 2.598 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001603131505 1096455382 /nfs/dbraw/zinc/45/53/82/1096455382.db2.gz FKVPXJLLVGIFHN-GFCCVEGCSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001603188533 1096468875 /nfs/dbraw/zinc/46/88/75/1096468875.db2.gz ZQSYYPXEOREKFS-ZBEGNZNMSA-N -1 0 326.327 2.889 20 30 EFEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2nc(C#N)cs2)cc1 ZINC001603213503 1096475749 /nfs/dbraw/zinc/47/57/49/1096475749.db2.gz QFMMZUJPQYXBRN-SECBINFHSA-N -1 0 330.369 2.525 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CCOCC1 ZINC001603293558 1096497579 /nfs/dbraw/zinc/49/75/79/1096497579.db2.gz KPTLEWRINDCSHD-UHFFFAOYSA-N -1 0 331.368 2.752 20 30 EFEDRM CC(C)(C)Nc1ccc(C(N)=NOCc2csc(C(=O)[O-])c2)nc1 ZINC001603351294 1096511195 /nfs/dbraw/zinc/51/11/95/1096511195.db2.gz MJJPWPJTCPTCPV-UHFFFAOYSA-N -1 0 348.428 2.889 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCc3c2cccc3F)o1 ZINC001603407141 1096522125 /nfs/dbraw/zinc/52/21/25/1096522125.db2.gz PNBRJWHTDUSKOG-UHFFFAOYSA-N -1 0 341.350 2.880 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2ccc(C)cc2)o1 ZINC001603499077 1096540179 /nfs/dbraw/zinc/54/01/79/1096540179.db2.gz KDYHUZBEAAPWDP-UHFFFAOYSA-N -1 0 325.376 2.892 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC001603577360 1096557128 /nfs/dbraw/zinc/55/71/28/1096557128.db2.gz DNOPIMGRJSTBAC-UHFFFAOYSA-N -1 0 343.427 2.852 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC001603582002 1096560091 /nfs/dbraw/zinc/56/00/91/1096560091.db2.gz JCYDFFBEDCLIEL-UHFFFAOYSA-N -1 0 341.223 2.827 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001603593192 1096562886 /nfs/dbraw/zinc/56/28/86/1096562886.db2.gz QWTJZRMTLLFMHH-UHFFFAOYSA-N -1 0 327.302 2.817 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC001603693365 1096591104 /nfs/dbraw/zinc/59/11/04/1096591104.db2.gz OOTBBYUXHSVYBR-HIFRSBDPSA-N -1 0 329.352 2.678 20 30 EFEDRM C[C@@H]1C[C@H](CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603850969 1096645656 /nfs/dbraw/zinc/64/56/56/1096645656.db2.gz OSSQMPNPSSSJBD-NEPJUHHUSA-N -1 0 340.435 2.793 20 30 EFEDRM CC(C)Cn1c(CCCCC#N)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603858556 1096646783 /nfs/dbraw/zinc/64/67/83/1096646783.db2.gz NVMGPAKEWDIALN-HUUCEWRRSA-N -1 0 347.463 2.717 20 30 EFEDRM CC(C)O[C@@H](Cn1cc(C(=O)[O-])cc(C#N)c1=O)c1ccccc1 ZINC001603911722 1096667944 /nfs/dbraw/zinc/66/79/44/1096667944.db2.gz AOTISEHMUIRHMY-INIZCTEOSA-N -1 0 326.352 2.584 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001603935689 1096673469 /nfs/dbraw/zinc/67/34/69/1096673469.db2.gz UYGMNCGYSVFHPD-WCQYABFASA-N -1 0 331.372 2.672 20 30 EFEDRM CCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)c1ccco1 ZINC001603966165 1096683995 /nfs/dbraw/zinc/68/39/95/1096683995.db2.gz UYXZDPQRTUCIFV-UHFFFAOYSA-N -1 0 329.364 2.872 20 30 EFEDRM CC(C)c1ncc2c(n1)CCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001604019200 1096701893 /nfs/dbraw/zinc/70/18/93/1096701893.db2.gz AAOPWMLHLXYGQB-KRWDZBQOSA-N -1 0 336.395 2.656 20 30 EFEDRM C[C@@H](CC#Cc1cccnc1)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604061740 1096714864 /nfs/dbraw/zinc/71/48/64/1096714864.db2.gz VRSLJMKUMHLXFJ-AWEZNQCLSA-N -1 0 339.347 2.532 20 30 EFEDRM C[C@@H](CC#N)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604061502 1096715719 /nfs/dbraw/zinc/71/57/19/1096715719.db2.gz UDUBHICVYFNNOO-GZMMTYOYSA-N -1 0 329.278 2.590 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001604062181 1096716700 /nfs/dbraw/zinc/71/67/00/1096716700.db2.gz ZYDFTGQWGQIUBL-ZCFIWIBFSA-N -1 0 344.140 2.710 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001604062180 1096717237 /nfs/dbraw/zinc/71/72/37/1096717237.db2.gz ZYDFTGQWGQIUBL-LURJTMIESA-N -1 0 344.140 2.710 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc(Br)cc1C#N ZINC001604113498 1096742339 /nfs/dbraw/zinc/74/23/39/1096742339.db2.gz YGIHGRBIRQGPQS-SECBINFHSA-N -1 0 340.173 2.865 20 30 EFEDRM C[C@H](C[C@@H](C)Nc1ccc(C(=O)[O-])nc1C#N)NC(=O)OC(C)(C)C ZINC001604124985 1096745297 /nfs/dbraw/zinc/74/52/97/1096745297.db2.gz HRAKATDTUUUAKO-GHMZBOCLSA-N -1 0 348.403 2.755 20 30 EFEDRM C[C@H](CCC#N)c1nnc(N(C)Cc2ccc(C(=O)[O-])cc2)n1C ZINC001604131091 1096745868 /nfs/dbraw/zinc/74/58/68/1096745868.db2.gz ZBWMICBVGYOSLL-GFCCVEGCSA-N -1 0 327.388 2.557 20 30 EFEDRM C[C@](CNC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001604183973 1096765630 /nfs/dbraw/zinc/76/56/30/1096765630.db2.gz BCGLBJKGJFQBCK-GOSISDBHSA-N -1 0 342.782 2.984 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001604217761 1096775888 /nfs/dbraw/zinc/77/58/88/1096775888.db2.gz ODAUEMBKEWMESL-AWEZNQCLSA-N -1 0 328.412 2.983 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001604222407 1096776937 /nfs/dbraw/zinc/77/69/37/1096776937.db2.gz CPPHYYIJDYSWGW-MRXNPFEDSA-N -1 0 332.356 2.575 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1)C(=O)[O-] ZINC001604229348 1096780444 /nfs/dbraw/zinc/78/04/44/1096780444.db2.gz XUIGMWUDOZPMDX-CQSZACIVSA-N -1 0 337.375 2.546 20 30 EFEDRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001604234820 1096781859 /nfs/dbraw/zinc/78/18/59/1096781859.db2.gz FVCKTOXPWVICJY-GFCCVEGCSA-N -1 0 334.803 2.736 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC001604291448 1096797622 /nfs/dbraw/zinc/79/76/22/1096797622.db2.gz MTNILNPMPZLJRQ-JTQLQIEISA-N -1 0 329.381 2.878 20 30 EFEDRM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC001604318704 1096804702 /nfs/dbraw/zinc/80/47/02/1096804702.db2.gz KWBSQBIUJGHYIW-GXFFZTMASA-N -1 0 328.372 2.715 20 30 EFEDRM C[C@@H](NC(=O)c1sccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604320247 1096806463 /nfs/dbraw/zinc/80/64/63/1096806463.db2.gz WBHCNNFZYRXKQU-SNVBAGLBSA-N -1 0 330.365 2.574 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC001604428235 1096849607 /nfs/dbraw/zinc/84/96/07/1096849607.db2.gz VTRKKQIMSCPYQZ-LLVKDONJSA-N -1 0 330.315 2.902 20 30 EFEDRM C[C@H](Oc1ccccc1CNc1n[nH]c(C2CC2)c1C#N)C(=O)[O-] ZINC001604447622 1096858929 /nfs/dbraw/zinc/85/89/29/1096858929.db2.gz JGOJGLUUXVYEDD-JTQLQIEISA-N -1 0 326.356 2.623 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001604466812 1096869751 /nfs/dbraw/zinc/86/97/51/1096869751.db2.gz DELJOMZPNRUOOE-IOASZLSFSA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001604477605 1096874107 /nfs/dbraw/zinc/87/41/07/1096874107.db2.gz GSYXAONRLURTKC-JTQLQIEISA-N -1 0 329.381 2.537 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001604482071 1096876593 /nfs/dbraw/zinc/87/65/93/1096876593.db2.gz FOSRGXSTHFBKBB-AWEZNQCLSA-N -1 0 325.727 2.945 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001604493459 1096879811 /nfs/dbraw/zinc/87/98/11/1096879811.db2.gz SNXBPCNGIWCMFF-GOSISDBHSA-N -1 0 332.375 2.688 20 30 EFEDRM CC1(C)C[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C(C)(C)O1 ZINC001604513369 1096886562 /nfs/dbraw/zinc/88/65/62/1096886562.db2.gz NXCLLZVGRBULNU-ZIAGYGMSSA-N -1 0 331.368 2.821 20 30 EFEDRM CC1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001604535769 1096898621 /nfs/dbraw/zinc/89/86/21/1096898621.db2.gz ANAFMTYVXFGLFD-AWEZNQCLSA-N -1 0 336.413 2.504 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(C#N)c2Cl)N(C)C(=O)N1C ZINC001604607157 1096913954 /nfs/dbraw/zinc/91/39/54/1096913954.db2.gz JQXFJRHABKLQRU-CYBMUJFWSA-N -1 0 337.738 2.748 20 30 EFEDRM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CCCCCC#N ZINC001604620642 1096915831 /nfs/dbraw/zinc/91/58/31/1096915831.db2.gz BBHUAWHUDPYPBQ-LLVKDONJSA-N -1 0 329.356 2.532 20 30 EFEDRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001604689297 1096931670 /nfs/dbraw/zinc/93/16/70/1096931670.db2.gz XFQORJTWJVNAGC-OCCSQVGLSA-N -1 0 330.384 2.553 20 30 EFEDRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001604689298 1096931690 /nfs/dbraw/zinc/93/16/90/1096931690.db2.gz XFQORJTWJVNAGC-TZMCWYRMSA-N -1 0 330.384 2.553 20 30 EFEDRM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604717224 1096939741 /nfs/dbraw/zinc/93/97/41/1096939741.db2.gz RBNVCBDTQGKFNC-AAEUAGOBSA-N -1 0 336.413 2.504 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](CC(F)(F)F)O1 ZINC001604799824 1096958335 /nfs/dbraw/zinc/95/83/35/1096958335.db2.gz MSXNHZSYTMBBMW-CMPLNLGQSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](CC(F)(F)F)O1 ZINC001604799825 1096958341 /nfs/dbraw/zinc/95/83/41/1096958341.db2.gz MSXNHZSYTMBBMW-JQWIXIFHSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@@H]1Cc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2O1 ZINC001604825631 1096966125 /nfs/dbraw/zinc/96/61/25/1096966125.db2.gz KYQYITNZNPXQFZ-DIFFPNOSSA-N -1 0 337.331 2.864 20 30 EFEDRM CN1CCCc2cc(CNc3c(C#N)cccc3-c3nn[nH]n3)ccc21 ZINC001604862547 1096971295 /nfs/dbraw/zinc/97/12/95/1096971295.db2.gz KTTOTIOECNCSCW-UHFFFAOYSA-N -1 0 345.410 2.733 20 30 EFEDRM CC[C@@H](C#N)[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccs1 ZINC001604865239 1096972030 /nfs/dbraw/zinc/97/20/30/1096972030.db2.gz WMWFWROYQBZECV-ZANVPECISA-N -1 0 333.369 2.628 20 30 EFEDRM CC[C@H](C(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001604881943 1096973785 /nfs/dbraw/zinc/97/37/85/1096973785.db2.gz NKLSEQZAPSMWIO-GFCCVEGCSA-N -1 0 330.258 2.591 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001604887052 1096974614 /nfs/dbraw/zinc/97/46/14/1096974614.db2.gz BAHLYTNHLUXIJX-QLJPJBMISA-N -1 0 342.317 2.546 20 30 EFEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(C#N)c1Br ZINC001604901930 1096979123 /nfs/dbraw/zinc/97/91/23/1096979123.db2.gz MRHZVYYHVYBGEA-CQSZACIVSA-N -1 0 339.189 2.694 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001605013324 1097001248 /nfs/dbraw/zinc/00/12/48/1097001248.db2.gz UUCJAUJIUBPLNN-UHFFFAOYSA-N -1 0 344.477 2.611 20 30 EFEDRM CC[C@H](COC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC001605050689 1097010185 /nfs/dbraw/zinc/01/01/85/1097010185.db2.gz VZUDWVLJWFAMIV-CYBMUJFWSA-N -1 0 343.335 2.998 20 30 EFEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1OC ZINC001605085256 1097018559 /nfs/dbraw/zinc/01/85/59/1097018559.db2.gz OMFGWZKJGCQXEO-CQSZACIVSA-N -1 0 345.399 2.546 20 30 EFEDRM CC/C=C\[C@@H](OC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605185210 1097046564 /nfs/dbraw/zinc/04/65/64/1097046564.db2.gz ZDJXWBJWLVLVSE-LWAXHKBTSA-N -1 0 339.351 2.629 20 30 EFEDRM CCCC[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001605247301 1097068098 /nfs/dbraw/zinc/06/80/98/1097068098.db2.gz GZMNUPRKYSVRMP-CJNGLKHVSA-N -1 0 348.374 2.710 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001605251294 1097069338 /nfs/dbraw/zinc/06/93/38/1097069338.db2.gz PYBDQPFWVOEFRA-NSHDSACASA-N -1 0 327.406 2.680 20 30 EFEDRM CCCCCc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]1 ZINC001605271869 1097075982 /nfs/dbraw/zinc/07/59/82/1097075982.db2.gz GWKKPSDSXRGDLC-MRXNPFEDSA-N -1 0 341.367 2.997 20 30 EFEDRM CCCCCn1cc(CNc2ccc(C(=O)[O-])nc2C#N)c(C)n1 ZINC001605273014 1097076898 /nfs/dbraw/zinc/07/68/98/1097076898.db2.gz YTRYZYMDSNDUIW-UHFFFAOYSA-N -1 0 327.388 2.959 20 30 EFEDRM CCCNC(=O)C1(NCc2cccc(C(=O)[O-])c2C#N)CCCCC1 ZINC001605325966 1097097452 /nfs/dbraw/zinc/09/74/52/1097097452.db2.gz AHUXXHKZCIJPRB-UHFFFAOYSA-N -1 0 343.427 2.575 20 30 EFEDRM CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001605393713 1097116085 /nfs/dbraw/zinc/11/60/85/1097116085.db2.gz ILWMOSMKKNBUFZ-LLVKDONJSA-N -1 0 343.408 2.945 20 30 EFEDRM CCN(C(=O)c1csc(C(=O)[O-])n1)[C@@H](C)c1ccc(C#N)cc1 ZINC001605402848 1097118293 /nfs/dbraw/zinc/11/82/93/1097118293.db2.gz FTETZDIOESXDRS-JTQLQIEISA-N -1 0 329.381 2.936 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1 ZINC001605461227 1097130777 /nfs/dbraw/zinc/13/07/77/1097130777.db2.gz KKKOIYUYBQOSPU-UHFFFAOYSA-N -1 0 344.392 2.666 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c1 ZINC001605544333 1097156150 /nfs/dbraw/zinc/15/61/50/1097156150.db2.gz GSEQTOXSVHWAQF-SREVYHEPSA-N -1 0 344.319 2.816 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1C#N ZINC001605556596 1097158780 /nfs/dbraw/zinc/15/87/80/1097158780.db2.gz ZESPSGWDLTWLLG-UHFFFAOYSA-N -1 0 343.295 2.670 20 30 EFEDRM CCOC(=O)c1cc(C=NNc2ccc(CC(=O)[O-])cc2)[nH]c1C ZINC001605566481 1097160113 /nfs/dbraw/zinc/16/01/13/1097160113.db2.gz XMDQEYNHGGTXNY-UHFFFAOYSA-N -1 0 329.356 2.573 20 30 EFEDRM CCOc1cc(C(=O)O[C@@H]2CCCC[C@H]2C#N)ccc1OCC(=O)[O-] ZINC001605665206 1097185568 /nfs/dbraw/zinc/18/55/68/1097185568.db2.gz DXCNQMFPTANYKV-UONOGXRCSA-N -1 0 347.367 2.788 20 30 EFEDRM CCc1[nH]c(CN2CCO[C@H](c3cccc(C#N)c3)C2)cc1C(=O)[O-] ZINC001605772976 1097221720 /nfs/dbraw/zinc/22/17/20/1097221720.db2.gz YXLBYVPDUPELEB-SFHVURJKSA-N -1 0 339.395 2.720 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCc2ccsc2)c1 ZINC000783365306 1097222053 /nfs/dbraw/zinc/22/20/53/1097222053.db2.gz OWYSJLZXSXRKNZ-UHFFFAOYSA-N -1 0 348.449 2.589 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001605785285 1097223441 /nfs/dbraw/zinc/22/34/41/1097223441.db2.gz RSKQPDPUHVXLLC-UHFFFAOYSA-N -1 0 349.339 2.726 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001605804372 1097232454 /nfs/dbraw/zinc/23/24/54/1097232454.db2.gz MCGVVGHIFDMYRJ-UHFFFAOYSA-N -1 0 349.386 2.720 20 30 EFEDRM CCc1ccc([C@H](C)CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001605809494 1097234768 /nfs/dbraw/zinc/23/47/68/1097234768.db2.gz MQMJNQFNZLWRCX-CQSZACIVSA-N -1 0 328.412 2.960 20 30 EFEDRM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC001605834495 1097244283 /nfs/dbraw/zinc/24/42/83/1097244283.db2.gz YBRYOHLBGUFDTK-UHFFFAOYSA-N -1 0 331.405 2.968 20 30 EFEDRM CCc1nnc(NCc2ccc(C(=O)[O-])c(OC)c2)c(C#N)c1CC ZINC001605874552 1097261092 /nfs/dbraw/zinc/26/10/92/1097261092.db2.gz QDUJUWOOYQHNEC-UHFFFAOYSA-N -1 0 340.383 2.792 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cccc(Cl)c1Cl ZINC001606017733 1097299565 /nfs/dbraw/zinc/29/95/65/1097299565.db2.gz MOOMHUYOIJZNFF-UHFFFAOYSA-N -1 0 334.170 2.598 20 30 EFEDRM CN(C)c1ccc(OCc2ccc(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001606060001 1097309621 /nfs/dbraw/zinc/30/96/21/1097309621.db2.gz CDQZKVCQVRPFPT-UHFFFAOYSA-N -1 0 341.323 2.810 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001606135177 1097325870 /nfs/dbraw/zinc/32/58/70/1097325870.db2.gz SRWYKSFUXLWCSW-UHFFFAOYSA-N -1 0 338.363 2.545 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001606154856 1097331701 /nfs/dbraw/zinc/33/17/01/1097331701.db2.gz MRSNOUDDBHHBRR-UHFFFAOYSA-N -1 0 335.363 2.607 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1nc(C#N)c(Cl)s1 ZINC001606162635 1097332376 /nfs/dbraw/zinc/33/23/76/1097332376.db2.gz FZEUIKWZZBIMQT-UHFFFAOYSA-N -1 0 337.788 2.768 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1nc2c(cc1C#N)CCC2 ZINC001606162766 1097332499 /nfs/dbraw/zinc/33/24/99/1097332499.db2.gz HHXBIHLRBNSKON-UHFFFAOYSA-N -1 0 337.379 2.542 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1c(C#N)nnc2ccccc21 ZINC001606163268 1097334424 /nfs/dbraw/zinc/33/44/24/1097334424.db2.gz YJCTXFZBDPGJRV-UHFFFAOYSA-N -1 0 348.362 2.601 20 30 EFEDRM CN1CCc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC001606250438 1097357486 /nfs/dbraw/zinc/35/74/86/1097357486.db2.gz IFOMOSABMMZYMM-QGZVFWFLSA-N -1 0 336.347 2.533 20 30 EFEDRM COC(=O)[C@@H](Sc1ccncc1C#N)c1cccc(C(=O)[O-])c1 ZINC001606342653 1097388602 /nfs/dbraw/zinc/38/86/02/1097388602.db2.gz UYYRJYXSHXJNGX-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001606343338 1097390261 /nfs/dbraw/zinc/39/02/61/1097390261.db2.gz YHGARKMLGATGMZ-HZPDHXFCSA-N -1 0 344.411 2.595 20 30 EFEDRM N#Cc1ccccc1N(C(=O)c1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001606384874 1097397246 /nfs/dbraw/zinc/39/72/46/1097397246.db2.gz HSOSLRUIYULALR-UHFFFAOYSA-N -1 0 334.339 2.531 20 30 EFEDRM N#Cc1ncc(Oc2ccc(Cl)c(Cl)c2)nc1-c1nnn[n-]1 ZINC001606398011 1097397941 /nfs/dbraw/zinc/39/79/41/1097397941.db2.gz HJRNYJJOYKFFQX-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM COC(=O)c1cccc(NN=C(C)c2ncc(C(=O)[O-])s2)c1C ZINC001606617896 1097429977 /nfs/dbraw/zinc/42/99/77/1097429977.db2.gz HLKUEQQZIFJRJP-UHFFFAOYSA-N -1 0 333.369 2.772 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1OC ZINC001606910837 1097471198 /nfs/dbraw/zinc/47/11/98/1097471198.db2.gz SJIWCPAUFFTMAR-PLNGDYQASA-N -1 0 346.335 2.908 20 30 EFEDRM COCOc1ccc(C#N)cc1-c1cccc([C@](C)(O)C(=O)[O-])c1 ZINC001606934066 1097476151 /nfs/dbraw/zinc/47/61/51/1097476151.db2.gz XKAJBEBZKOQXFJ-SFHVURJKSA-N -1 0 327.336 2.500 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001606962609 1097481283 /nfs/dbraw/zinc/48/12/83/1097481283.db2.gz DIQWNOLBWXDYSI-DUXPYHPUSA-N -1 0 344.327 2.662 20 30 EFEDRM COCc1cc(NC(=O)N2CCC[C@H](CC#N)C2)cc(C(=O)[O-])c1 ZINC001606968365 1097483773 /nfs/dbraw/zinc/48/37/73/1097483773.db2.gz XBRKGRUALWMUFD-GFCCVEGCSA-N -1 0 331.372 2.689 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1c(C)coc1CC(=O)[O-] ZINC001607065298 1097504299 /nfs/dbraw/zinc/50/42/99/1097504299.db2.gz LQVSNMDXLXXYCF-UHFFFAOYSA-N -1 0 349.726 2.968 20 30 EFEDRM COc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1C#N ZINC001607068200 1097504565 /nfs/dbraw/zinc/50/45/65/1097504565.db2.gz KUDNXGCNUOAXDK-AWEZNQCLSA-N -1 0 330.384 2.530 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1O ZINC001607087879 1097511493 /nfs/dbraw/zinc/51/14/93/1097511493.db2.gz XELHFKJTFMWGAN-QGZVFWFLSA-N -1 0 330.340 2.512 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C#N)c(Cl)n1 ZINC001607140883 1097542753 /nfs/dbraw/zinc/54/27/53/1097542753.db2.gz NVSRJAIFDTYPCI-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM COc1cc(C=NOCc2oncc2C(=O)[O-])cc(Cl)c1OC ZINC001607152963 1097544111 /nfs/dbraw/zinc/54/41/11/1097544111.db2.gz FMOHZQGEXPYBPC-UHFFFAOYSA-N -1 0 340.719 2.594 20 30 EFEDRM COc1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1C#N ZINC001607161825 1097547618 /nfs/dbraw/zinc/54/76/18/1097547618.db2.gz RKVRPZZFLRPCOE-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(NC(=O)CC#Cc2ccccc2)c(C(=O)[O-])cc1OC ZINC001607174205 1097550171 /nfs/dbraw/zinc/55/01/71/1097550171.db2.gz AMXRUTYNQHVWBR-UHFFFAOYSA-N -1 0 339.347 2.782 20 30 EFEDRM COc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(F)cc1C#N ZINC001607173759 1097550349 /nfs/dbraw/zinc/55/03/49/1097550349.db2.gz JZYRTQBTFFJKSS-UHFFFAOYSA-N -1 0 332.331 2.680 20 30 EFEDRM COc1cc(NC(=O)N(C)Cc2cc(C#N)cs2)ccc1C(=O)[O-] ZINC001607177814 1097552283 /nfs/dbraw/zinc/55/22/83/1097552283.db2.gz XEBWYEBDSJKCDK-UHFFFAOYSA-N -1 0 345.380 2.990 20 30 EFEDRM COc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(F)cc1C#N ZINC001607177635 1097552372 /nfs/dbraw/zinc/55/23/72/1097552372.db2.gz JTPZRJZZDUVGIS-UHFFFAOYSA-N -1 0 343.314 2.977 20 30 EFEDRM COc1cc(OC)c(/C=C/C(=O)c2cc(C(=O)[O-])co2)c(OC)c1 ZINC001607183054 1097553907 /nfs/dbraw/zinc/55/39/07/1097553907.db2.gz CUTHGUPLALFYKF-SNAWJCMRSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc2c(cc1O)CCN(Cc1cccc(C(=O)[O-])c1C#N)C2 ZINC001607193499 1097556396 /nfs/dbraw/zinc/55/63/96/1097556396.db2.gz NNDWLZMAQPKGGB-UHFFFAOYSA-N -1 0 338.363 2.529 20 30 EFEDRM COc1ccc(C#N)cc1N[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001607201188 1097558780 /nfs/dbraw/zinc/55/87/80/1097558780.db2.gz CMTAQMOSPYVCIV-NSHDSACASA-N -1 0 341.367 2.893 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001607201708 1097558886 /nfs/dbraw/zinc/55/88/86/1097558886.db2.gz NJPAGQAKPPZTSS-UHFFFAOYSA-N -1 0 339.351 2.629 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(c1nc(C#N)c(Cl)s1)CC2 ZINC001607215261 1097562806 /nfs/dbraw/zinc/56/28/06/1097562806.db2.gz LNQYRCHWNJZRTK-UHFFFAOYSA-N -1 0 349.799 2.938 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001607223140 1097565641 /nfs/dbraw/zinc/56/56/41/1097565641.db2.gz REJBNHBLPNRHNN-MRXNPFEDSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc([C@@H](NCC#Cc2ccccc2Cl)C(=O)[O-])cc1O ZINC001607230946 1097567417 /nfs/dbraw/zinc/56/74/17/1097567417.db2.gz HIOSGCHTTZBVLI-QGZVFWFLSA-N -1 0 345.782 2.821 20 30 EFEDRM COc1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1C#N ZINC001607258929 1097577033 /nfs/dbraw/zinc/57/70/33/1097577033.db2.gz ZGBIDNPXAYLBEF-UHFFFAOYSA-N -1 0 338.363 2.514 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1c(F)cc(C#N)cc1F ZINC001607307091 1097592558 /nfs/dbraw/zinc/59/25/58/1097592558.db2.gz UYIASZDYQZDIKA-UHFFFAOYSA-N -1 0 346.289 2.820 20 30 EFEDRM COc1ccccc1C1(C(=O)N(CC#N)CCC(=O)[O-])CCCCC1 ZINC001607339809 1097607051 /nfs/dbraw/zinc/60/70/51/1097607051.db2.gz RVLNPNLHDDUFAW-UHFFFAOYSA-N -1 0 344.411 2.724 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1cc(C(=O)[O-])c(C)o1 ZINC001607346956 1097609353 /nfs/dbraw/zinc/60/93/53/1097609353.db2.gz PLRGDORCRJBAEG-UHFFFAOYSA-N -1 0 333.369 2.615 20 30 EFEDRM C[S@@](=O)Cc1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001607383866 1097614929 /nfs/dbraw/zinc/61/49/29/1097614929.db2.gz KOTRYDOWGLYNNA-HSZRJFAPSA-N -1 0 328.393 2.747 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)OCCCCC(=O)[O-])c1C#N ZINC001607414655 1097624558 /nfs/dbraw/zinc/62/45/58/1097624558.db2.gz PDWOOAAJFZOBQD-UHFFFAOYSA-N -1 0 334.397 2.964 20 30 EFEDRM C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1C(=O)[O-] ZINC001607436411 1097629127 /nfs/dbraw/zinc/62/91/27/1097629127.db2.gz WDCQRUMWNRRJHF-UKRRQHHQSA-N -1 0 339.395 2.738 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)N(C)Cc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001607486124 1097639107 /nfs/dbraw/zinc/63/91/07/1097639107.db2.gz ZLFVFTUJTGBNMO-ZDUSSCGKSA-N -1 0 339.395 2.905 20 30 EFEDRM Cc1[nH]c(C(=O)NCc2ccc(C#N)c(Cl)c2)c(C)c1C(=O)[O-] ZINC001607491081 1097640583 /nfs/dbraw/zinc/64/05/83/1097640583.db2.gz NJIFMXRHRSREIH-UHFFFAOYSA-N -1 0 331.759 2.785 20 30 EFEDRM Cc1c(NC(=O)CCCC(=O)[O-])ccc(Br)c1C#N ZINC001607540594 1097655381 /nfs/dbraw/zinc/65/53/81/1097655381.db2.gz XVVUTXIADWFRKK-UHFFFAOYSA-N -1 0 325.162 2.823 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001607565947 1097662522 /nfs/dbraw/zinc/66/25/22/1097662522.db2.gz UCBWZLYTJQWSIE-QZTJIDSGSA-N -1 0 334.375 2.807 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)n1 ZINC001607565733 1097662650 /nfs/dbraw/zinc/66/26/50/1097662650.db2.gz PGEUTXUXDVVGQW-SNAWJCMRSA-N -1 0 337.335 2.762 20 30 EFEDRM Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc(C)c1C#N ZINC001607569073 1097662902 /nfs/dbraw/zinc/66/29/02/1097662902.db2.gz BZUXCXGKPSIREF-UHFFFAOYSA-N -1 0 336.391 2.945 20 30 EFEDRM Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc(C)c1C#N ZINC001607581841 1097666341 /nfs/dbraw/zinc/66/63/41/1097666341.db2.gz YYIDSIZDMPWGCA-QGZVFWFLSA-N -1 0 340.354 2.740 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc(C)c1C#N ZINC001607584203 1097666876 /nfs/dbraw/zinc/66/68/76/1097666876.db2.gz WINBLWURNIOHQG-UHFFFAOYSA-N -1 0 348.362 2.862 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc(C#N)c(Cl)n2)C(=O)[O-])c1 ZINC001607626713 1097681222 /nfs/dbraw/zinc/68/12/22/1097681222.db2.gz HLXQDHIMZUAKIW-AWEZNQCLSA-N -1 0 343.770 2.779 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc(C#N)cc2F)C(=O)[O-])c1 ZINC001607627286 1097682007 /nfs/dbraw/zinc/68/20/07/1097682007.db2.gz SBJBUZOUXVOVPU-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc(C(=O)[O-])no1 ZINC001607654904 1097691353 /nfs/dbraw/zinc/69/13/53/1097691353.db2.gz IOODGZVFBUMOTR-UHFFFAOYSA-N -1 0 343.726 2.570 20 30 EFEDRM Cc1cc(F)c(C#N)c(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1 ZINC001607657999 1097692149 /nfs/dbraw/zinc/69/21/49/1097692149.db2.gz MTUZALJRSMVYBR-UHFFFAOYSA-N -1 0 332.375 2.592 20 30 EFEDRM Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)nc(C)c1C(=O)[O-] ZINC001607675734 1097696424 /nfs/dbraw/zinc/69/64/24/1097696424.db2.gz ZGLZWKZLJDINKY-UHFFFAOYSA-N -1 0 335.363 2.939 20 30 EFEDRM Cc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)c(C#N)cc1N(C)C ZINC001607683248 1097698110 /nfs/dbraw/zinc/69/81/10/1097698110.db2.gz XICVEXOMDJXUPN-UHFFFAOYSA-N -1 0 344.415 2.651 20 30 EFEDRM Cc1cc(NC(=O)c2cccc(CC(=O)[O-])c2)c(C#N)cc1N(C)C ZINC001607691657 1097700789 /nfs/dbraw/zinc/70/07/89/1097700789.db2.gz CCAFMAFKZNLBJS-UHFFFAOYSA-N -1 0 337.379 2.812 20 30 EFEDRM Cc1cc(NCCc2ncc(C(=O)[O-])s2)c(C#N)cc1[N+](=O)[O-] ZINC001607694836 1097702006 /nfs/dbraw/zinc/70/20/06/1097702006.db2.gz JMUQCFYJNXPWHG-UHFFFAOYSA-N -1 0 332.341 2.584 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccc(C#N)c(C)c1 ZINC001607702428 1097704470 /nfs/dbraw/zinc/70/44/70/1097704470.db2.gz QQJQWKZSFVDCST-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM Cc1cc(SCC(=O)Nc2cccc(C(=O)[O-])n2)ccc1C#N ZINC001607710477 1097706341 /nfs/dbraw/zinc/70/63/41/1097706341.db2.gz JRLQEBDNMUKQPV-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001607724756 1097710308 /nfs/dbraw/zinc/71/03/08/1097710308.db2.gz DCESSWQKEDDSSZ-WSKFYRRCSA-N -1 0 344.392 2.766 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC001607746054 1097718026 /nfs/dbraw/zinc/71/80/26/1097718026.db2.gz WVBMYDSYGZZWPR-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)c2[nH]c3ccccc3c2C#N)C(=O)[O-])cc1 ZINC001607757147 1097722217 /nfs/dbraw/zinc/72/22/17/1097722217.db2.gz HDUKPKKLSPIKPB-MRXNPFEDSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc(CN(CC#N)CCC(=O)[O-])c(C)c1Br ZINC001607777161 1097729856 /nfs/dbraw/zinc/72/98/56/1097729856.db2.gz DNBAEOKFPAFGRV-UHFFFAOYSA-N -1 0 325.206 2.866 20 30 EFEDRM Cc1ccc(CS(=O)(=O)Cc2csc(C(=O)[O-])c2)cc1C#N ZINC001607786114 1097733097 /nfs/dbraw/zinc/73/30/97/1097733097.db2.gz OOTOZQJWJWIRNN-UHFFFAOYSA-N -1 0 335.406 2.741 20 30 EFEDRM Cc1ccc(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C)c1 ZINC001607813001 1097741431 /nfs/dbraw/zinc/74/14/31/1097741431.db2.gz ISASWNWCNYLTFP-UHFFFAOYSA-N -1 0 339.347 2.996 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1 ZINC001607822841 1097743861 /nfs/dbraw/zinc/74/38/61/1097743861.db2.gz IOGVPJKCYUYQGT-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC001607836915 1097748386 /nfs/dbraw/zinc/74/83/86/1097748386.db2.gz NJTWAYMHRUVKIG-UHFFFAOYSA-N -1 0 339.395 2.843 20 30 EFEDRM Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1 ZINC001607864212 1097757856 /nfs/dbraw/zinc/75/78/56/1097757856.db2.gz MFTUFKNIUCKCRN-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1cccc2c(CCC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c[nH]c21 ZINC001607864766 1097758326 /nfs/dbraw/zinc/75/83/26/1097758326.db2.gz PVCPGPGCDVYYPN-UHFFFAOYSA-N -1 0 339.395 2.626 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)COc1cccc(C#N)c1 ZINC001607884013 1097766512 /nfs/dbraw/zinc/76/65/12/1097766512.db2.gz VPFPCLJCMWGCKZ-UHFFFAOYSA-N -1 0 338.363 2.753 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC001607918644 1097777596 /nfs/dbraw/zinc/77/75/96/1097777596.db2.gz CLTBSSICULFAFX-UHFFFAOYSA-N -1 0 338.363 2.892 20 30 EFEDRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607935599 1097781869 /nfs/dbraw/zinc/78/18/69/1097781869.db2.gz MMLCMQLKLFBWFT-DYZYQPBXSA-N -1 0 341.367 2.761 20 30 EFEDRM Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607953993 1097786893 /nfs/dbraw/zinc/78/68/93/1097786893.db2.gz BFUJKWBQCFUXTG-MRXNPFEDSA-N -1 0 340.335 2.790 20 30 EFEDRM Cc1nc(COC(=O)[C@@H](C)Oc2ccccc2C#N)sc1C(=O)[O-] ZINC001607958532 1097788239 /nfs/dbraw/zinc/78/82/39/1097788239.db2.gz UDSXYVAHIKWBAC-SNVBAGLBSA-N -1 0 346.364 2.532 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1Nc1snc(Cl)c1C#N ZINC001608009117 1097803345 /nfs/dbraw/zinc/80/33/45/1097803345.db2.gz HFKMGMUMHAFFKO-UHFFFAOYSA-N -1 0 325.781 2.700 20 30 EFEDRM Cc1nocc1/C=C1\CC(C(=O)[O-])C/C(=C\c2conc2C)C1=O ZINC001608029950 1097810201 /nfs/dbraw/zinc/81/02/01/1097810201.db2.gz YYAWNKSAYIHZDA-YDWXAUTNSA-N -1 0 328.324 2.810 20 30 EFEDRM Cc1nsc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1C#N ZINC001608029621 1097810315 /nfs/dbraw/zinc/81/03/15/1097810315.db2.gz CKZHTMZBGXLIOX-UHFFFAOYSA-N -1 0 342.380 2.612 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001608031663 1097810531 /nfs/dbraw/zinc/81/05/31/1097810531.db2.gz FFJZVOBHTOWLNZ-UHFFFAOYSA-N -1 0 348.305 2.855 20 30 EFEDRM Cc1oc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1C(=O)[O-] ZINC001608046123 1097815180 /nfs/dbraw/zinc/81/51/80/1097815180.db2.gz NPEJGRPPDMSQCM-NSHDSACASA-N -1 0 341.367 2.617 20 30 EFEDRM Cc1oc(CN(C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001608045896 1097815612 /nfs/dbraw/zinc/81/56/12/1097815612.db2.gz GDVNZMHOMKYANQ-UHFFFAOYSA-N -1 0 329.312 2.698 20 30 EFEDRM Cc1oc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001608047041 1097815697 /nfs/dbraw/zinc/81/56/97/1097815697.db2.gz DBCYVCOAINAZRE-UHFFFAOYSA-N -1 0 342.351 2.632 20 30 EFEDRM Cc1oc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1C(=O)[O-] ZINC001608046122 1097815918 /nfs/dbraw/zinc/81/59/18/1097815918.db2.gz NPEJGRPPDMSQCM-LLVKDONJSA-N -1 0 341.367 2.617 20 30 EFEDRM Cc1oc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001608056080 1097819424 /nfs/dbraw/zinc/81/94/24/1097819424.db2.gz KHORCLDDCGWEIM-CQSZACIVSA-N -1 0 348.380 2.610 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC001608078840 1097826967 /nfs/dbraw/zinc/82/69/67/1097826967.db2.gz KSBAVPGOUROABZ-SECBINFHSA-N -1 0 343.339 2.962 20 30 EFEDRM N#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001608173133 1097850362 /nfs/dbraw/zinc/85/03/62/1097850362.db2.gz BQGMXBVQKZVUGM-OAHLLOKOSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2nc(C3CCCC3)cs2)CC1 ZINC001608171497 1097850371 /nfs/dbraw/zinc/85/03/71/1097850371.db2.gz NKWKXJJQGIVZJI-UHFFFAOYSA-N -1 0 347.440 2.560 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001608171756 1097850555 /nfs/dbraw/zinc/85/05/55/1097850555.db2.gz REFSPEOJBHLTHK-CVEARBPZSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001608171759 1097850629 /nfs/dbraw/zinc/85/06/29/1097850629.db2.gz REFSPEOJBHLTHK-JKSUJKDBSA-N -1 0 326.396 2.787 20 30 EFEDRM N#C[C@@]1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC12CCCC2 ZINC001608171603 1097850700 /nfs/dbraw/zinc/85/07/00/1097850700.db2.gz CLDBZJGFNCWFPZ-JRPNMDOOSA-N -1 0 344.333 2.572 20 30 EFEDRM N#C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001608173132 1097851128 /nfs/dbraw/zinc/85/11/28/1097851128.db2.gz BQGMXBVQKZVUGM-HNNXBMFYSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001608172388 1097851182 /nfs/dbraw/zinc/85/11/82/1097851182.db2.gz ZIGRJEINESWICE-AWEZNQCLSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(CCCOC(=O)/C=C/c2cc(C(=O)[O-])co2)CCOCC1 ZINC001608175389 1097851433 /nfs/dbraw/zinc/85/14/33/1097851433.db2.gz XHZYRRQQXDACJE-NSCUHMNNSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC001608174300 1097851497 /nfs/dbraw/zinc/85/14/97/1097851497.db2.gz KTFBCQQLORKCCE-UHFFFAOYSA-N -1 0 344.396 2.520 20 30 EFEDRM N#CC1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC001608175488 1097851724 /nfs/dbraw/zinc/85/17/24/1097851724.db2.gz CAUDYQRJWXDKPN-UHFFFAOYSA-N -1 0 326.308 2.777 20 30 EFEDRM N#C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001608174002 1097852387 /nfs/dbraw/zinc/85/23/87/1097852387.db2.gz QHOLJEHLMSSMIQ-CQSZACIVSA-N -1 0 332.312 2.922 20 30 EFEDRM N#CC1(CCCC[S@](=O)Cc2nc(C(=O)[O-])cs2)CCC1 ZINC001608174750 1097852414 /nfs/dbraw/zinc/85/24/14/1097852414.db2.gz BZJGYEPOWOJHKQ-NRFANRHFSA-N -1 0 326.443 2.954 20 30 EFEDRM N#CC1(CC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CCCCC1 ZINC001608176420 1097852585 /nfs/dbraw/zinc/85/25/85/1097852585.db2.gz XDCQZSGQAWVBLO-MRXNPFEDSA-N -1 0 328.412 2.910 20 30 EFEDRM N#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001608179798 1097853003 /nfs/dbraw/zinc/85/30/03/1097853003.db2.gz APLLWVQIXXOKJD-ZDUSSCGKSA-N -1 0 339.189 2.775 20 30 EFEDRM N#C[C@]1(F)CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001608176750 1097853095 /nfs/dbraw/zinc/85/30/95/1097853095.db2.gz CIQYGVLHBWDQCE-WCQYABFASA-N -1 0 327.153 2.512 20 30 EFEDRM N#CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001608181530 1097853137 /nfs/dbraw/zinc/85/31/37/1097853137.db2.gz MDIWJURVPHWLKI-INIZCTEOSA-N -1 0 346.408 2.579 20 30 EFEDRM N#CC1CN(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001608178760 1097853279 /nfs/dbraw/zinc/85/32/79/1097853279.db2.gz BGUWENCMNCZTFT-UHFFFAOYSA-N -1 0 339.804 2.894 20 30 EFEDRM N#C[C@@]1(F)CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001608176201 1097853380 /nfs/dbraw/zinc/85/33/80/1097853380.db2.gz WRSNHXBCYKMGLE-ZDUSSCGKSA-N -1 0 329.690 2.647 20 30 EFEDRM N#CCC1CN(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001608182087 1097853388 /nfs/dbraw/zinc/85/33/88/1097853388.db2.gz SWGGQJYWTACBBG-UHFFFAOYSA-N -1 0 338.161 2.525 20 30 EFEDRM N#CC[C@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001608179139 1097853509 /nfs/dbraw/zinc/85/35/09/1097853509.db2.gz VSTOHOOJSDLJPJ-MSOLQXFVSA-N -1 0 336.391 2.886 20 30 EFEDRM N#C[C@@]1(NC(=O)CC2(CC(=O)[O-])CCCC2)CCc2ccccc2C1 ZINC001608176756 1097853516 /nfs/dbraw/zinc/85/35/16/1097853516.db2.gz CNFIRQXOSPRZBG-HXUWFJFHSA-N -1 0 340.423 2.979 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(Br)c(Cl)c1 ZINC001608186288 1097853978 /nfs/dbraw/zinc/85/39/78/1097853978.db2.gz IRLMBECMVFRMMW-UHFFFAOYSA-N -1 0 331.597 2.903 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cccc(SC(F)(F)F)c1 ZINC001608186528 1097854188 /nfs/dbraw/zinc/85/41/88/1097854188.db2.gz OUURQBYHZWGPCS-UHFFFAOYSA-N -1 0 332.303 2.739 20 30 EFEDRM N#CCCc1ccc(NC(=O)NCCc2ncc(C(=O)[O-])s2)cc1 ZINC001608183837 1097854292 /nfs/dbraw/zinc/85/42/92/1097854292.db2.gz PPUQVVDCJVZMSB-UHFFFAOYSA-N -1 0 344.396 2.662 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001608184491 1097854465 /nfs/dbraw/zinc/85/44/65/1097854465.db2.gz ZGIUXSRSDQACJS-IZZDOVSWSA-N -1 0 348.227 2.592 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)c1 ZINC001608187385 1097855187 /nfs/dbraw/zinc/85/51/87/1097855187.db2.gz WIQCFSAOFRBXDG-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001608188857 1097855229 /nfs/dbraw/zinc/85/52/29/1097855229.db2.gz XHLNFOLFEXWRBA-QGZVFWFLSA-N -1 0 348.358 2.925 20 30 EFEDRM N#CCOc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001608188855 1097855272 /nfs/dbraw/zinc/85/52/72/1097855272.db2.gz PKIAUSKTBWUYHC-UHFFFAOYSA-N -1 0 343.310 2.503 20 30 EFEDRM N#CCOc1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001608187373 1097855634 /nfs/dbraw/zinc/85/56/34/1097855634.db2.gz VVSVQUORDRNCQL-UHFFFAOYSA-N -1 0 331.372 2.888 20 30 EFEDRM N#Cc1c(CSCc2noc3c2COCC3)cccc1C(=O)[O-] ZINC001608191815 1097855813 /nfs/dbraw/zinc/85/58/13/1097855813.db2.gz FAPJBPUNZVOBDM-UHFFFAOYSA-N -1 0 330.365 2.751 20 30 EFEDRM N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1C(=O)[O-] ZINC001608191192 1097855868 /nfs/dbraw/zinc/85/58/68/1097855868.db2.gz IMRQJUAFDICLQI-CGTJXYLNSA-N -1 0 328.412 2.772 20 30 EFEDRM N#Cc1c(COC(=O)CCC(=O)c2ccccc2)cccc1C(=O)[O-] ZINC001608191463 1097856513 /nfs/dbraw/zinc/85/65/13/1097856513.db2.gz VUYMCVDXFACPLY-UHFFFAOYSA-N -1 0 337.331 2.963 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc([N+](=O)[O-])cc2F)cccc1C(=O)[O-] ZINC001608190254 1097856879 /nfs/dbraw/zinc/85/68/79/1097856879.db2.gz BIVQFJKQRCDTNC-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1F ZINC001608192092 1097857650 /nfs/dbraw/zinc/85/76/50/1097857650.db2.gz IWYBHDUEJINKHS-INIZCTEOSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001608192114 1097857666 /nfs/dbraw/zinc/85/76/66/1097857666.db2.gz UKTRNOPNHDZBAY-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#C[C@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001608192367 1097857815 /nfs/dbraw/zinc/85/78/15/1097857815.db2.gz ZEWSDFMDTMFXIX-ZIAGYGMSSA-N -1 0 337.379 2.732 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cnc1C(F)(F)F ZINC001608194169 1097857892 /nfs/dbraw/zinc/85/78/92/1097857892.db2.gz RFBUCYMGXCNBIQ-GFCCVEGCSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1c(Cn2ccnc2[C@H](O)c2ccccc2)cccc1C(=O)[O-] ZINC001608192253 1097857938 /nfs/dbraw/zinc/85/79/38/1097857938.db2.gz LFDGOXPTWOEFGG-QGZVFWFLSA-N -1 0 333.347 2.583 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c[nH]1 ZINC001608193713 1097858035 /nfs/dbraw/zinc/85/80/35/1097858035.db2.gz JXEJBZURHXMLPV-UHFFFAOYSA-N -1 0 334.129 2.599 20 30 EFEDRM N#Cc1cc(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nc(C2CC2)n1 ZINC001608197847 1097858601 /nfs/dbraw/zinc/85/86/01/1097858601.db2.gz SAYUZBIESCHIPY-MRXNPFEDSA-N -1 0 347.378 2.815 20 30 EFEDRM N#Cc1cc(N[C@@H](CC2CC2)C(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001608197560 1097858710 /nfs/dbraw/zinc/85/87/10/1097858710.db2.gz GINFEDAUFFGGNT-AWEZNQCLSA-N -1 0 326.312 2.680 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)NCCCCCCC(=O)[O-])CC2)c1 ZINC001608197269 1097858875 /nfs/dbraw/zinc/85/88/75/1097858875.db2.gz VOWGOSRTJDKERX-UHFFFAOYSA-N -1 0 332.375 2.880 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1Cl ZINC001608197566 1097859058 /nfs/dbraw/zinc/85/90/58/1097859058.db2.gz GNLBKSNHRPMKHC-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001608199232 1097859430 /nfs/dbraw/zinc/85/94/30/1097859430.db2.gz YJPBXVNIBZSPNV-UHFFFAOYSA-N -1 0 346.346 2.623 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC001608199304 1097859500 /nfs/dbraw/zinc/85/95/00/1097859500.db2.gz BNKSJSKZVHADGP-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(Br)c(OCc2ncccc2C(=O)[O-])c1 ZINC001608199057 1097859792 /nfs/dbraw/zinc/85/97/92/1097859792.db2.gz QCQDRUACFCKVPY-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)cn1 ZINC001608199428 1097860003 /nfs/dbraw/zinc/86/00/03/1097860003.db2.gz GTORBJYOUQRGJD-UHFFFAOYSA-N -1 0 332.315 2.953 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CC23CCSCC3)C(=O)[O-])cc1 ZINC001608202769 1097860438 /nfs/dbraw/zinc/86/04/38/1097860438.db2.gz WMWAABMOALSMRN-ZIAGYGMSSA-N -1 0 331.393 2.760 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCc3ccccc3O2)C(=O)[O-])cc1 ZINC001608202266 1097860994 /nfs/dbraw/zinc/86/09/94/1097860994.db2.gz NOEKRKIWGOOZQG-IAGOWNOFSA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(C[C@H]2CCCC[C@H]2C(=O)[O-])c1=O ZINC001608201405 1097861017 /nfs/dbraw/zinc/86/10/17/1097861017.db2.gz ATJDLMHVWKHWFU-GHMZBOCLSA-N -1 0 328.290 2.630 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001608202483 1097861158 /nfs/dbraw/zinc/86/11/58/1097861158.db2.gz PUFSJOFRDWQNQE-AWEZNQCLSA-N -1 0 330.727 2.582 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])cnc3Cl)CC2)cc1 ZINC001608203395 1097861731 /nfs/dbraw/zinc/86/17/31/1097861731.db2.gz KYTHJJKVJDRGMH-UHFFFAOYSA-N -1 0 341.754 2.975 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC001608204530 1097861758 /nfs/dbraw/zinc/86/17/58/1097861758.db2.gz JUTIPKBQKOIXII-UHFFFAOYSA-N -1 0 334.375 2.990 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2nc3cccnc3s2)C(=O)[O-])cc1 ZINC001608203784 1097862360 /nfs/dbraw/zinc/86/23/60/1097862360.db2.gz VIPWADBCGVKZJP-LBPRGKRZSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001608204797 1097862428 /nfs/dbraw/zinc/86/24/28/1097862428.db2.gz PAUPHXFSIPXOJD-KRWDZBQOSA-N -1 0 341.338 2.869 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001608205749 1097862854 /nfs/dbraw/zinc/86/28/54/1097862854.db2.gz MDOIPSUSWRKYAP-CQSZACIVSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Sc3ncc(C(=O)[O-])s3)C2=O)cc1 ZINC001608207571 1097862884 /nfs/dbraw/zinc/86/28/84/1097862884.db2.gz RNMJKWMCDDPGRQ-NSHDSACASA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1ccc(F)c(COC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001608206979 1097863099 /nfs/dbraw/zinc/86/30/99/1097863099.db2.gz SCFRQZJTNAMYAV-HNAYVOBHSA-N -1 0 339.322 2.999 20 30 EFEDRM N#Cc1ccc(N2CCc3[nH]nc(C(=O)[O-])c3C2)c(C(F)(F)F)c1 ZINC001608206476 1097863400 /nfs/dbraw/zinc/86/34/00/1097863400.db2.gz ULLYUSKDWKQFDR-UHFFFAOYSA-N -1 0 336.273 2.561 20 30 EFEDRM N#Cc1ccc(COC(=O)c2occc2C(=O)[O-])c(OC(F)F)c1 ZINC001608207432 1097863426 /nfs/dbraw/zinc/86/34/26/1097863426.db2.gz IJHPMUCTVWSRQL-UHFFFAOYSA-N -1 0 337.234 2.808 20 30 EFEDRM N#Cc1ccc(OCC[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001608210746 1097864224 /nfs/dbraw/zinc/86/42/24/1097864224.db2.gz WSEMABBTGWITJG-UHFFFAOYSA-N -1 0 341.367 2.503 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001608210217 1097864488 /nfs/dbraw/zinc/86/44/88/1097864488.db2.gz IKWIFZMEAGSJQY-UHFFFAOYSA-N -1 0 345.376 2.873 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCC3(C(=O)[O-])CCCC3)on2)c1 ZINC001608214102 1097864766 /nfs/dbraw/zinc/86/47/66/1097864766.db2.gz DOOHTKRKEGXPTG-UHFFFAOYSA-N -1 0 339.351 2.588 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])on2)c1 ZINC001608214312 1097864889 /nfs/dbraw/zinc/86/48/89/1097864889.db2.gz LZAOHGRQWXQGLN-OAHLLOKOSA-N -1 0 339.351 2.683 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C2 ZINC001608213240 1097864935 /nfs/dbraw/zinc/86/49/35/1097864935.db2.gz KAUJBZOQVKMSFA-CQSZACIVSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)C2 ZINC001608214053 1097865033 /nfs/dbraw/zinc/86/50/33/1097865033.db2.gz CBILKJFVXALZRU-UHFFFAOYSA-N -1 0 337.335 2.569 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001608213147 1097865375 /nfs/dbraw/zinc/86/53/75/1097865375.db2.gz ISWRKCGGRZPSIS-UHFFFAOYSA-N -1 0 349.389 2.503 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Oc3cccc(C(=O)[O-])c3)n2)c1 ZINC001608214636 1097865388 /nfs/dbraw/zinc/86/53/88/1097865388.db2.gz DXZGTPWETRMKMY-UHFFFAOYSA-N -1 0 333.303 2.661 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001608213200 1097865418 /nfs/dbraw/zinc/86/54/18/1097865418.db2.gz JNBCYVUZWIMXIV-UHFFFAOYSA-N -1 0 332.425 2.802 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)n1 ZINC001608214566 1097865444 /nfs/dbraw/zinc/86/54/44/1097865444.db2.gz CRUBEVBZVAWKKK-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)cnc2Cl)C(=O)[O-])c1 ZINC001608215994 1097865817 /nfs/dbraw/zinc/86/58/17/1097865817.db2.gz BZHKMXTYUHLXRP-GFCCVEGCSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc(C(=O)OCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)c1 ZINC001608214730 1097865868 /nfs/dbraw/zinc/86/58/68/1097865868.db2.gz DXAKYAGGJIWUQV-UHFFFAOYSA-N -1 0 348.314 2.777 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001608214692 1097865976 /nfs/dbraw/zinc/86/59/76/1097865976.db2.gz SLGUHMRFYIRPOK-UHFFFAOYSA-N -1 0 345.358 2.870 20 30 EFEDRM N#Cc1cccc(C(=O)NCc2ccoc2C(=O)[O-])c1Br ZINC001608215732 1097866020 /nfs/dbraw/zinc/86/60/20/1097866020.db2.gz ZIJRAXYUNUVBCV-UHFFFAOYSA-N -1 0 349.140 2.542 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)n1 ZINC001608215239 1097866050 /nfs/dbraw/zinc/86/60/50/1097866050.db2.gz NZGAZOPKUFEKBZ-UHFFFAOYSA-N -1 0 347.277 2.548 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2csc(C3CC3)n2)C(=O)[O-])c1 ZINC001608216795 1097867101 /nfs/dbraw/zinc/86/71/01/1097867101.db2.gz VOPCOVBFFHDTDV-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608217306 1097867234 /nfs/dbraw/zinc/86/72/34/1097867234.db2.gz XOINAOZYICOEBT-OAHLLOKOSA-N -1 0 327.315 2.687 20 30 EFEDRM N#Cc1cccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001608217405 1097867296 /nfs/dbraw/zinc/86/72/96/1097867296.db2.gz CLJUVELWQYAVGQ-QZTJIDSGSA-N -1 0 349.390 2.568 20 30 EFEDRM N#Cc1cccc(C2(C(=O)OCc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001608216577 1097867337 /nfs/dbraw/zinc/86/73/37/1097867337.db2.gz NJKIPENWJXNQCC-UHFFFAOYSA-N -1 0 346.342 2.903 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)COc2ccc(F)cc2F)C(=O)[O-])c1 ZINC001608216763 1097867500 /nfs/dbraw/zinc/86/75/00/1097867500.db2.gz UBRISOFXEWUHTM-INIZCTEOSA-N -1 0 347.273 2.584 20 30 EFEDRM N#Cc1cccc(OCC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001608218020 1097867505 /nfs/dbraw/zinc/86/75/05/1097867505.db2.gz BZCZEUULANITOB-QGZVFWFLSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001608218038 1097867555 /nfs/dbraw/zinc/86/75/55/1097867555.db2.gz CJJXVSJDXBCCIW-HUUCEWRRSA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1cccc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])c1 ZINC001608218408 1097867582 /nfs/dbraw/zinc/86/75/82/1097867582.db2.gz MVFLWJFLKIXXJS-HNNXBMFYSA-N -1 0 326.377 2.534 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccnn2CC2CCC2)C(=O)[O-])c1 ZINC001608216780 1097867792 /nfs/dbraw/zinc/86/77/92/1097867792.db2.gz UYSCPUDJSUHLQF-INIZCTEOSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001608219953 1097868519 /nfs/dbraw/zinc/86/85/19/1097868519.db2.gz IJJRRVQQUWXAMZ-HJWRWDBZSA-N -1 0 332.315 2.885 20 30 EFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC001608219899 1097868624 /nfs/dbraw/zinc/86/86/24/1097868624.db2.gz FNTMCVDLAIYYHC-UHFFFAOYSA-N -1 0 349.390 2.655 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)c21 ZINC001608220735 1097868806 /nfs/dbraw/zinc/86/88/06/1097868806.db2.gz IDUPISQZNNMLFM-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001608221289 1097869163 /nfs/dbraw/zinc/86/91/63/1097869163.db2.gz SFXGRXQMWVXEJL-UHFFFAOYSA-N -1 0 345.358 2.870 20 30 EFEDRM N#Cc1cnc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001608222236 1097869451 /nfs/dbraw/zinc/86/94/51/1097869451.db2.gz CAJNNXLHXBIHIA-UONOGXRCSA-N -1 0 343.770 2.617 20 30 EFEDRM N#Cc1cnc(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])nc1 ZINC001608223206 1097869660 /nfs/dbraw/zinc/86/96/60/1097869660.db2.gz RHUQMMLAHUSDGM-UHFFFAOYSA-N -1 0 340.286 2.753 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001608223577 1097869745 /nfs/dbraw/zinc/86/97/45/1097869745.db2.gz ZTISGGUORQHQKU-CQSZACIVSA-N -1 0 343.770 2.943 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001608223349 1097869818 /nfs/dbraw/zinc/86/98/18/1097869818.db2.gz AMWQKEBPPFFDPJ-SSDOTTSWSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001608224992 1097870923 /nfs/dbraw/zinc/87/09/23/1097870923.db2.gz LPDRKRDGRHXDSN-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM O=C([O-])[C@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)c2ccccc21 ZINC001608283290 1097879863 /nfs/dbraw/zinc/87/98/63/1097879863.db2.gz AXVNCPVNHBJAIN-XMELGKRDSA-N -1 0 339.322 2.623 20 30 EFEDRM O=C([O-])[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC001608284077 1097881410 /nfs/dbraw/zinc/88/14/10/1097881410.db2.gz HMBUAARFGUMBQS-JXMNSVBMSA-N -1 0 333.359 2.558 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)o1 ZINC001608284472 1097881417 /nfs/dbraw/zinc/88/14/17/1097881417.db2.gz MALGKJHWGQSYKB-ALCCZGGFSA-N -1 0 327.336 2.711 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)o1 ZINC001608284473 1097881474 /nfs/dbraw/zinc/88/14/74/1097881474.db2.gz MALGKJHWGQSYKB-FNORWQNLSA-N -1 0 327.336 2.711 20 30 EFEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC001608286898 1097882929 /nfs/dbraw/zinc/88/29/29/1097882929.db2.gz FBFCZTSERYRALU-FLIBITNWSA-N -1 0 336.347 2.803 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC001608349292 1097899552 /nfs/dbraw/zinc/89/95/52/1097899552.db2.gz FDCDOXKJNFCHPV-UHFFFAOYSA-N -1 0 334.278 2.652 20 30 EFEDRM O=C([O-])[C@@H](F)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001608456642 1097924703 /nfs/dbraw/zinc/92/47/03/1097924703.db2.gz HUZKBFGUMOANNO-QMMMGPOBSA-N -1 0 347.186 2.877 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(C=NN3CCc4ccccc4C3=O)c2c1 ZINC001608917984 1098071247 /nfs/dbraw/zinc/07/12/47/1098071247.db2.gz RAXJZSXOFZEULE-UHFFFAOYSA-N -1 0 333.347 2.899 20 30 EFEDRM O=C([O-])c1cnc(NCC#C[C@@H]2CCCCO2)cc1C(F)(F)F ZINC001608976900 1098095270 /nfs/dbraw/zinc/09/52/70/1098095270.db2.gz KXEORHDVWZHXIK-JTQLQIEISA-N -1 0 328.290 2.783 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(C)(C)C ZINC001609058021 1098124504 /nfs/dbraw/zinc/12/45/04/1098124504.db2.gz NEADJGAEGOOBQD-MRVPVSSYSA-N -1 0 349.861 2.734 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2nccc3ccccc32)o1 ZINC001609061859 1098127187 /nfs/dbraw/zinc/12/71/87/1098127187.db2.gz ZPMWGQZPPVKKJH-UHFFFAOYSA-N -1 0 334.343 2.547 20 30 EFEDRM C#CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccccc1 ZINC001609152825 1098170933 /nfs/dbraw/zinc/17/09/33/1098170933.db2.gz JGRHLPOOMQDXIC-UHFFFAOYSA-N -1 0 336.391 2.767 20 30 EFEDRM C#CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1cc(C(=O)OC)c(C)o1 ZINC001609153050 1098171385 /nfs/dbraw/zinc/17/13/85/1098171385.db2.gz WXIXDGWZYTYWDG-UHFFFAOYSA-N -1 0 345.351 2.610 20 30 EFEDRM C#CCN(Cc1ccccc1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001609158768 1098174233 /nfs/dbraw/zinc/17/42/33/1098174233.db2.gz IBXAAFSSECDCGN-UHFFFAOYSA-N -1 0 325.324 2.636 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001609189930 1098189091 /nfs/dbraw/zinc/18/90/91/1098189091.db2.gz LILCQJYLAJQYKI-HNNXBMFYSA-N -1 0 328.755 2.662 20 30 EFEDRM C=C(C)CNC(=S)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001609248210 1098220996 /nfs/dbraw/zinc/22/09/96/1098220996.db2.gz DHBYODJYPDZKKE-QWHCGFSZSA-N -1 0 340.395 2.515 20 30 EFEDRM C=C(C)CN(CC)C(=O)COc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001609248205 1098221846 /nfs/dbraw/zinc/22/18/46/1098221846.db2.gz CYQNLHJCBNLVNO-VQHVLOKHSA-N -1 0 333.384 2.596 20 30 EFEDRM CCc1cccc(Cl)c1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001609252962 1098226775 /nfs/dbraw/zinc/22/67/75/1098226775.db2.gz HAIPJTIMDIVZEG-UHFFFAOYSA-N -1 0 331.767 2.825 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609257490 1098228891 /nfs/dbraw/zinc/22/88/91/1098228891.db2.gz HNHVHAZMPUAGJZ-GOSISDBHSA-N -1 0 344.390 2.961 20 30 EFEDRM C=C(C)CONC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001609257379 1098228984 /nfs/dbraw/zinc/22/89/84/1098228984.db2.gz ABHYCTATTSPZDH-UHFFFAOYSA-N -1 0 348.277 2.955 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001609267032 1098231713 /nfs/dbraw/zinc/23/17/13/1098231713.db2.gz INOQOFFSLAQVOP-GOSISDBHSA-N -1 0 332.400 2.641 20 30 EFEDRM C=C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)[O-] ZINC001609287315 1098238713 /nfs/dbraw/zinc/23/87/13/1098238713.db2.gz LIGYSEIRCXGNGR-SECBINFHSA-N -1 0 336.438 2.605 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)[O-] ZINC001609287473 1098239307 /nfs/dbraw/zinc/23/93/07/1098239307.db2.gz RDZFZCSHHQNMDB-SECBINFHSA-N -1 0 345.211 2.697 20 30 EFEDRM C=C[C@@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001609287285 1098239842 /nfs/dbraw/zinc/23/98/42/1098239842.db2.gz KTBGSNDQMFFTMF-SNVBAGLBSA-N -1 0 333.413 2.532 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001609320489 1098245823 /nfs/dbraw/zinc/24/58/23/1098245823.db2.gz OCLCFVXTTMRRIX-CVEARBPZSA-N -1 0 348.468 2.633 20 30 EFEDRM C=CCCOCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001609340892 1098254407 /nfs/dbraw/zinc/25/44/07/1098254407.db2.gz DJKCREOEEBWSEY-UHFFFAOYSA-N -1 0 346.408 2.968 20 30 EFEDRM COc1ccc(CCCN=Nc2oc(C)nc2-c2nnn[n-]2)c(C)c1 ZINC001609354583 1098262226 /nfs/dbraw/zinc/26/22/26/1098262226.db2.gz SJKXKYNGBAJWCQ-UHFFFAOYSA-N -1 0 341.375 2.511 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001609356950 1098263549 /nfs/dbraw/zinc/26/35/49/1098263549.db2.gz WHITTYHUAAPOSO-UHFFFAOYSA-N -1 0 329.462 2.639 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ncc(C(F)(F)F)s2)C(C(=O)[O-])=C1C ZINC001609373477 1098272666 /nfs/dbraw/zinc/27/26/66/1098272666.db2.gz BZQKRNUKBHFVMM-VIFPVBQESA-N -1 0 347.318 2.773 20 30 EFEDRM C=CCN1CC[C@H](Nc2ccc(OCC(=O)[O-])c3ccccc23)C1=O ZINC001609398999 1098287921 /nfs/dbraw/zinc/28/79/21/1098287921.db2.gz WDSUFNCOCXULRY-INIZCTEOSA-N -1 0 340.379 2.502 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001609432089 1098316921 /nfs/dbraw/zinc/31/69/21/1098316921.db2.gz DAGQCVJFLZAENT-QGZVFWFLSA-N -1 0 339.391 2.591 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1cccs1 ZINC001609485600 1098351082 /nfs/dbraw/zinc/35/10/82/1098351082.db2.gz ZIPQLRRQIQLYIO-UHFFFAOYSA-N -1 0 337.426 2.719 20 30 EFEDRM C=CCn1c(=O)[nH]nc1S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609485025 1098352854 /nfs/dbraw/zinc/35/28/54/1098352854.db2.gz BTJMZAGQKVIXFR-NSHDSACASA-N -1 0 339.804 2.611 20 30 EFEDRM O=C(C=Cc1nc(-c2nn[nH]n2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519733 1098367298 /nfs/dbraw/zinc/36/72/98/1098367298.db2.gz JYSJZHHFAVMCFM-ARJAWSKDSA-N -1 0 333.760 2.578 20 30 EFEDRM C/C(=C/COC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001609542888 1098375504 /nfs/dbraw/zinc/37/55/04/1098375504.db2.gz DAKWSXFACQZAHD-JYRVWZFOSA-N -1 0 339.351 2.651 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCC1 ZINC001609641007 1098413218 /nfs/dbraw/zinc/41/32/18/1098413218.db2.gz SPZNCFXWZMKRTJ-NSHDSACASA-N -1 0 339.351 2.681 20 30 EFEDRM CC(C)(C#N)CC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001609647059 1098415269 /nfs/dbraw/zinc/41/52/69/1098415269.db2.gz PHITYUQGCASUID-QWHCGFSZSA-N -1 0 336.338 2.531 20 30 EFEDRM CC(C)(C)C1CCC(C#N)(NC(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001609654651 1098417759 /nfs/dbraw/zinc/41/77/59/1098417759.db2.gz DGBSMBSXWRAITN-UHFFFAOYSA-N -1 0 347.415 2.920 20 30 EFEDRM CC(C)(C)c1ccc(C=NOCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001609669863 1098421076 /nfs/dbraw/zinc/42/10/76/1098421076.db2.gz BIAHDPAXUCVVLE-UHFFFAOYSA-N -1 0 346.427 2.658 20 30 EFEDRM CC(C)(CCC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001609673898 1098422877 /nfs/dbraw/zinc/42/28/77/1098422877.db2.gz SLSNNILTQMEQOR-UHFFFAOYSA-N -1 0 328.412 2.961 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609698729 1098431029 /nfs/dbraw/zinc/43/10/29/1098431029.db2.gz SNPAIZKVKUETDK-UHFFFAOYSA-N -1 0 325.368 2.883 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2ccc(C#N)n2C)cccc1C(=O)[O-] ZINC001609712012 1098434801 /nfs/dbraw/zinc/43/48/01/1098434801.db2.gz MNUJCKGFTUEHPI-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(O)cc(C#N)c1)c1cccc(F)c1 ZINC001609728618 1098440593 /nfs/dbraw/zinc/44/05/93/1098440593.db2.gz KMCNRSRXHUIMDJ-SFHVURJKSA-N -1 0 342.326 2.523 20 30 EFEDRM C[C@H](NC(=O)c1csc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609771612 1098452358 /nfs/dbraw/zinc/45/23/58/1098452358.db2.gz NNVRJPFHQNWQPM-NHYWBVRUSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@H](NC(=O)c1csc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609771613 1098452531 /nfs/dbraw/zinc/45/25/31/1098452531.db2.gz NNVRJPFHQNWQPM-XHDPSFHLSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc([S@](C)=O)cc1 ZINC001609779699 1098455397 /nfs/dbraw/zinc/45/53/97/1098455397.db2.gz CUDIVZHETBCFCO-YYUOZPCZSA-N -1 0 342.420 2.845 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC001609810451 1098466045 /nfs/dbraw/zinc/46/60/45/1098466045.db2.gz QSQUWTIVMKGWKY-CRAIPNDOSA-N -1 0 329.400 2.928 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001609813447 1098466351 /nfs/dbraw/zinc/46/63/51/1098466351.db2.gz DKNAMDVZILVYSC-IBGZPJMESA-N -1 0 344.411 2.821 20 30 EFEDRM C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C(=O)[O-])C1 ZINC001609857312 1098478867 /nfs/dbraw/zinc/47/88/67/1098478867.db2.gz RSLQMEGONWIVMU-YOEHRIQHSA-N -1 0 344.411 2.819 20 30 EFEDRM C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C(=O)[O-])C1 ZINC001609857309 1098478948 /nfs/dbraw/zinc/47/89/48/1098478948.db2.gz RSLQMEGONWIVMU-PBHICJAKSA-N -1 0 344.411 2.819 20 30 EFEDRM CC[C@](C)(C(=O)OC)N(Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC001609890717 1098485334 /nfs/dbraw/zinc/48/53/34/1098485334.db2.gz HAXDDXIIKQZADS-LJQANCHMSA-N -1 0 344.411 2.810 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ncc(C#N)cc1Cl ZINC001609890804 1098485381 /nfs/dbraw/zinc/48/53/81/1098485381.db2.gz IADFXKLDNHBEKO-MRXNPFEDSA-N -1 0 335.791 2.712 20 30 EFEDRM CC[C@](C)(C#N)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609889901 1098485555 /nfs/dbraw/zinc/48/55/55/1098485555.db2.gz ADPGRYXDQCGLIP-APPDUMDISA-N -1 0 332.356 2.503 20 30 EFEDRM CC[C@](CNC(=O)N1CCC(CC#N)CC1)(C(=O)[O-])c1ccccc1 ZINC001609921702 1098494904 /nfs/dbraw/zinc/49/49/04/1098494904.db2.gz OBMBXPCFLXPTEN-LJQANCHMSA-N -1 0 343.427 2.754 20 30 EFEDRM CC[C@](NC(=O)c1cc(C#N)[nH]c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929219 1098496749 /nfs/dbraw/zinc/49/67/49/1098496749.db2.gz QSNISPMVKHJUSC-QGZVFWFLSA-N -1 0 345.786 2.968 20 30 EFEDRM CC[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001609939021 1098500233 /nfs/dbraw/zinc/50/02/33/1098500233.db2.gz TWEYGAUTXHGDMR-CQSZACIVSA-N -1 0 326.308 2.766 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC1CC1 ZINC001609946538 1098502713 /nfs/dbraw/zinc/50/27/13/1098502713.db2.gz YULZBALHBSWOMQ-MRXNPFEDSA-N -1 0 343.358 2.922 20 30 EFEDRM CCCC[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609962376 1098507952 /nfs/dbraw/zinc/50/79/52/1098507952.db2.gz BQSATLLWPJYKIP-JTQLQIEISA-N -1 0 330.262 2.772 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001609966215 1098508822 /nfs/dbraw/zinc/50/88/22/1098508822.db2.gz GGTXQJRXRNYZRS-GFCCVEGCSA-N -1 0 339.392 2.695 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001609966216 1098508833 /nfs/dbraw/zinc/50/88/33/1098508833.db2.gz GGTXQJRXRNYZRS-LBPRGKRZSA-N -1 0 339.392 2.695 20 30 EFEDRM CCCC[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001609966388 1098508984 /nfs/dbraw/zinc/50/89/84/1098508984.db2.gz DBALNWWQDCYPTL-HOCLYGCPSA-N -1 0 332.400 2.721 20 30 EFEDRM CCCC[C@@H](SCCS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001609968091 1098509443 /nfs/dbraw/zinc/50/94/43/1098509443.db2.gz UAFCAPPIXGEKIN-CQSZACIVSA-N -1 0 341.454 2.709 20 30 EFEDRM CCCC[C@H](SCCS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001609968088 1098509465 /nfs/dbraw/zinc/50/94/65/1098509465.db2.gz UAFCAPPIXGEKIN-AWEZNQCLSA-N -1 0 341.454 2.709 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1CC(=O)[O-] ZINC001609977883 1098511947 /nfs/dbraw/zinc/51/19/47/1098511947.db2.gz OTFPKGMFRHITRV-UHFFFAOYSA-N -1 0 326.352 2.831 20 30 EFEDRM CCCc1c(C(=O)NCc2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC001609985257 1098513686 /nfs/dbraw/zinc/51/36/86/1098513686.db2.gz JZCCHZCVPJZAMB-UHFFFAOYSA-N -1 0 325.368 2.776 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001610058446 1098533799 /nfs/dbraw/zinc/53/37/99/1098533799.db2.gz NKPBDDACNIYXBR-UHFFFAOYSA-N -1 0 345.376 2.515 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OS(=O)(=O)CC(C)(C)CC#N)c1 ZINC001610061739 1098534672 /nfs/dbraw/zinc/53/46/72/1098534672.db2.gz HEBCHCHCEVDIPB-UHFFFAOYSA-N -1 0 325.386 2.596 20 30 EFEDRM CN(C(=O)c1cc(C#N)ccc1Cl)c1nc(CC(=O)[O-])cs1 ZINC001610092513 1098545471 /nfs/dbraw/zinc/54/54/71/1098545471.db2.gz YSYVBAUGEZFNRJ-UHFFFAOYSA-N -1 0 335.772 2.572 20 30 EFEDRM CN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1(C#N)CCC1 ZINC001610092318 1098545544 /nfs/dbraw/zinc/54/55/44/1098545544.db2.gz PHRVKRQWDCTUSQ-UHFFFAOYSA-N -1 0 337.173 2.666 20 30 EFEDRM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610094200 1098546155 /nfs/dbraw/zinc/54/61/55/1098546155.db2.gz DXAMZOAOPFCOBH-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C)C(=O)c1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1F ZINC001610098067 1098546777 /nfs/dbraw/zinc/54/67/77/1098546777.db2.gz VEDVKTCUDHJQMD-UHFFFAOYSA-N -1 0 341.342 2.709 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccccc2CC(=O)[O-])c1 ZINC001610104660 1098548685 /nfs/dbraw/zinc/54/86/85/1098548685.db2.gz KVDRWWKYQOADQZ-UHFFFAOYSA-N -1 0 338.363 2.608 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001610105117 1098548838 /nfs/dbraw/zinc/54/88/38/1098548838.db2.gz SLADZZUTPNSTEO-KRWDZBQOSA-N -1 0 343.427 2.778 20 30 EFEDRM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc([S-])cc1)CC2 ZINC001269964148 1098550889 /nfs/dbraw/zinc/55/08/89/1098550889.db2.gz XAROTWWZJNWBQZ-MRXNPFEDSA-N -1 0 344.480 2.910 20 30 EFEDRM CN(Cc1ccc(F)cc1)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001610122198 1098553145 /nfs/dbraw/zinc/55/31/45/1098553145.db2.gz NGJOQVBIPCXXOL-UHFFFAOYSA-N -1 0 344.342 2.533 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cccc(Cl)c3[O-])C2)C1=O ZINC001269982582 1098559241 /nfs/dbraw/zinc/55/92/41/1098559241.db2.gz DEJJHZVUCPPHCT-GOSISDBHSA-N -1 0 348.830 2.686 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cccc(Cl)c2[O-])C1=O ZINC001269983430 1098566560 /nfs/dbraw/zinc/56/65/60/1098566560.db2.gz QEKLKGPSYKQLKL-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)c1cc(COc2cc(F)cc(C#N)c2)cc(C(=O)[O-])c1 ZINC001610200644 1098568938 /nfs/dbraw/zinc/56/89/38/1098568938.db2.gz PHAXCVYEYSLZTB-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COC(=O)c1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1C#N)C2 ZINC001610214856 1098574392 /nfs/dbraw/zinc/57/43/92/1098574392.db2.gz KSVZQWTZGKQHRJ-UHFFFAOYSA-N -1 0 336.347 2.559 20 30 EFEDRM COC(=O)c1ccc(NCc2cccc(C#N)c2F)cc1C(=O)[O-] ZINC001610215323 1098574806 /nfs/dbraw/zinc/57/48/06/1098574806.db2.gz BWJCPMQFFKSCHE-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM CON=Cc1ccc(C(=O)OCCc2ccccc2C(=O)[O-])cc1 ZINC001610277543 1098597944 /nfs/dbraw/zinc/59/79/44/1098597944.db2.gz LUXQZZGQLDVQGH-UHFFFAOYSA-N -1 0 327.336 2.765 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OC ZINC001610293896 1098606051 /nfs/dbraw/zinc/60/60/51/1098606051.db2.gz NLSRDCLHHSTQSG-ONEGZZNKSA-N -1 0 347.279 2.799 20 30 EFEDRM COc1cc(C)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610293103 1098606136 /nfs/dbraw/zinc/60/61/36/1098606136.db2.gz ITSZRSALTOUICM-INIZCTEOSA-N -1 0 325.320 2.858 20 30 EFEDRM COc1cc(O)c(C=NNc2cccc(F)c2C(=O)[O-])cc1OC ZINC001610304035 1098611949 /nfs/dbraw/zinc/61/19/49/1098611949.db2.gz IYHGDNGQEYMDOD-UHFFFAOYSA-N -1 0 334.303 2.693 20 30 EFEDRM COc1cc2c(cc1F)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001610311428 1098614416 /nfs/dbraw/zinc/61/44/16/1098614416.db2.gz XGWVXWJRPAMMTM-GOSISDBHSA-N -1 0 340.354 2.890 20 30 EFEDRM COc1ccc(CNC(=O)CCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610334764 1098625709 /nfs/dbraw/zinc/62/57/09/1098625709.db2.gz ZVLWIFMMONWSDR-UHFFFAOYSA-N -1 0 338.363 2.514 20 30 EFEDRM COc1ccc(NN=Cc2cc(C(=O)[O-])no2)c(C(F)(F)F)c1 ZINC001610342800 1098630298 /nfs/dbraw/zinc/63/02/98/1098630298.db2.gz SCBRLXLPIVZQCF-UHFFFAOYSA-N -1 0 329.234 2.846 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001610396707 1098655207 /nfs/dbraw/zinc/65/52/07/1098655207.db2.gz IKBYLBIWUUJRRV-UHFFFAOYSA-N -1 0 340.335 2.512 20 30 EFEDRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610405558 1098659491 /nfs/dbraw/zinc/65/94/91/1098659491.db2.gz MNHYDHBRMORSOR-UHFFFAOYSA-N -1 0 345.786 2.960 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001610407477 1098660727 /nfs/dbraw/zinc/66/07/27/1098660727.db2.gz ZVHLOVHWAQZPJH-UHFFFAOYSA-N -1 0 338.363 2.602 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610432902 1098673652 /nfs/dbraw/zinc/67/36/52/1098673652.db2.gz OXXAMTOBWXIYBC-RDTXWAMCSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001610433279 1098673778 /nfs/dbraw/zinc/67/37/78/1098673778.db2.gz UTYGIUCDMPXSAF-UHFFFAOYSA-N -1 0 344.396 2.966 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001610432988 1098673986 /nfs/dbraw/zinc/67/39/86/1098673986.db2.gz RGZXWCGHIMRWBD-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)ncc1C#N ZINC001610438768 1098677640 /nfs/dbraw/zinc/67/76/40/1098677640.db2.gz RQOWCNXBXKYNRU-UHFFFAOYSA-N -1 0 327.365 2.762 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cscc3C#N)nc2n1 ZINC001610438247 1098678108 /nfs/dbraw/zinc/67/81/08/1098678108.db2.gz JDFVKBUIAVPXII-UHFFFAOYSA-N -1 0 344.377 2.883 20 30 EFEDRM Cc1cc(C)cc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001610456508 1098690411 /nfs/dbraw/zinc/69/04/11/1098690411.db2.gz IRKGKVFLJAGOTO-AWEZNQCLSA-N -1 0 329.400 2.764 20 30 EFEDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)n2c3ccccc3nc2c1C#N ZINC001610468723 1098695908 /nfs/dbraw/zinc/69/59/08/1098695908.db2.gz AYIKFIYURHTPPE-OLZOCXBDSA-N -1 0 334.379 2.967 20 30 EFEDRM Cc1cc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)nn1CCC#N ZINC001610473497 1098697328 /nfs/dbraw/zinc/69/73/28/1098697328.db2.gz JSEPTEXWEABQNB-LBPRGKRZSA-N -1 0 341.371 2.937 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NCCCC1(C#N)CCOCC1 ZINC001610476362 1098699030 /nfs/dbraw/zinc/69/90/30/1098699030.db2.gz QDLXIPVANPJJJO-UHFFFAOYSA-N -1 0 332.400 2.971 20 30 EFEDRM Cc1ccc([C@@H](NC(=O)Cc2ccccc2CC#N)C(=O)[O-])cc1C ZINC001610494570 1098712571 /nfs/dbraw/zinc/71/25/71/1098712571.db2.gz QPKFDHMQALRDBJ-LJQANCHMSA-N -1 0 336.391 2.854 20 30 EFEDRM Cc1c(/C=C2/COc3c(C)ccc(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001610496585 1098713918 /nfs/dbraw/zinc/71/39/18/1098713918.db2.gz ATKKZKLAJKLNDJ-GHXNOFRVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1cc(C=NNC(=S)Nc2cc(C)ccc2F)[nH]c1C(=O)[O-] ZINC001610503168 1098717742 /nfs/dbraw/zinc/71/77/42/1098717742.db2.gz MJZOQCRQNUQLMC-UHFFFAOYSA-N -1 0 334.376 2.789 20 30 EFEDRM Cc1cccc2c1ncc(C#N)c2N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610526908 1098732760 /nfs/dbraw/zinc/73/27/60/1098732760.db2.gz FHJIFVMFHXFSIZ-ZDUSSCGKSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1nn(-c2cccc(F)c2)cc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001610567741 1098757505 /nfs/dbraw/zinc/75/75/05/1098757505.db2.gz UWWNDBSGKQSXAU-UHFFFAOYSA-N -1 0 342.374 2.510 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3cc(C(=O)[O-])cs3)cc12 ZINC001610568053 1098757738 /nfs/dbraw/zinc/75/77/38/1098757738.db2.gz HSIWABMWGPSTFJ-ARJAWSKDSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610578637 1098764518 /nfs/dbraw/zinc/76/45/18/1098764518.db2.gz WFULEWDIBKKZAR-GFCCVEGCSA-N -1 0 345.380 2.900 20 30 EFEDRM Cc1oc(C(C)C)nc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610580742 1098765096 /nfs/dbraw/zinc/76/50/96/1098765096.db2.gz GXHRFXUVCIQPFZ-CQSZACIVSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610579392 1098765384 /nfs/dbraw/zinc/76/53/84/1098765384.db2.gz BTRXFLMAKJTPJN-CQSZACIVSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1sc(NC(=O)COC(=O)C#CC(C)(C)C)c(C(=O)[O-])c1C ZINC001610591686 1098772375 /nfs/dbraw/zinc/77/23/75/1098772375.db2.gz NCLYDNKENKVDOV-UHFFFAOYSA-N -1 0 337.397 2.594 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001610618204 1098785743 /nfs/dbraw/zinc/78/57/43/1098785743.db2.gz CJEWHMVCSZZJNH-ZACQAIPSSA-N -1 0 328.412 2.909 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001610618196 1098786078 /nfs/dbraw/zinc/78/60/78/1098786078.db2.gz CJEWHMVCSZZJNH-BBWFWOEESA-N -1 0 328.412 2.909 20 30 EFEDRM N#CC1(CCCNc2cc3c(cc2C(=O)[O-])OCO3)CCOCC1 ZINC001610619230 1098786138 /nfs/dbraw/zinc/78/61/38/1098786138.db2.gz GUUSQWQHBQPGJQ-UHFFFAOYSA-N -1 0 332.356 2.626 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC001610619483 1098786751 /nfs/dbraw/zinc/78/67/51/1098786751.db2.gz WBOOFSDQLZRHJZ-UHFFFAOYSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC1(CC(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001610620058 1098787145 /nfs/dbraw/zinc/78/71/45/1098787145.db2.gz WNFAUPCDRDQVFG-GDBMZVCRSA-N -1 0 326.396 2.760 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC001610620768 1098787570 /nfs/dbraw/zinc/78/75/70/1098787570.db2.gz UUSZYSUNEFGGJZ-MRXNPFEDSA-N -1 0 338.338 2.937 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC001610621877 1098787697 /nfs/dbraw/zinc/78/76/97/1098787697.db2.gz YLZAMLOYVKENQV-RMKNXTFCSA-N -1 0 335.363 2.735 20 30 EFEDRM N#CCCN(Cc1cccnc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001610621648 1098787883 /nfs/dbraw/zinc/78/78/83/1098787883.db2.gz OIPQQIHCZSVWRQ-UHFFFAOYSA-N -1 0 335.367 2.503 20 30 EFEDRM N#C[C@]1(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC12CCCC2 ZINC001610620206 1098788053 /nfs/dbraw/zinc/78/80/53/1098788053.db2.gz YVPUVLXPRGZNDE-INIZCTEOSA-N -1 0 330.296 2.672 20 30 EFEDRM N#CC1(CC(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001610620059 1098788333 /nfs/dbraw/zinc/78/83/33/1098788333.db2.gz WNFAUPCDRDQVFG-GOEBONIOSA-N -1 0 326.396 2.760 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001610624464 1098788717 /nfs/dbraw/zinc/78/87/17/1098788717.db2.gz UQYGMYHSXZHTOA-UHFFFAOYSA-N -1 0 333.344 2.813 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001610623843 1098789714 /nfs/dbraw/zinc/78/97/14/1098789714.db2.gz BAVQAHJGJXDXLU-AWEZNQCLSA-N -1 0 346.289 2.642 20 30 EFEDRM N#Cc1c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1C(=O)[O-] ZINC001610623879 1098790014 /nfs/dbraw/zinc/79/00/14/1098790014.db2.gz XVMQIXWPSMKRJM-DLBZAZTESA-N -1 0 326.396 2.790 20 30 EFEDRM N#Cc1cc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)ccn1 ZINC001610625620 1098790582 /nfs/dbraw/zinc/79/05/82/1098790582.db2.gz UOOVOSXMOLRANJ-ZDUSSCGKSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CC2CCC(C(F)(F)F)CC2)c1=O ZINC001610625510 1098790658 /nfs/dbraw/zinc/79/06/58/1098790658.db2.gz RKVMVKVTERADML-UHFFFAOYSA-N -1 0 328.290 2.787 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H](F)Cc2ccccc2)cccc1C(=O)[O-] ZINC001610625157 1098790863 /nfs/dbraw/zinc/79/08/63/1098790863.db2.gz OHADIGCELQHYJT-INIZCTEOSA-N -1 0 327.311 2.880 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nc1 ZINC001610626418 1098791022 /nfs/dbraw/zinc/79/10/22/1098791022.db2.gz JRERMEWJZGLYPD-CRAIPNDOSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)CCCC2 ZINC001610625885 1098791231 /nfs/dbraw/zinc/79/12/31/1098791231.db2.gz DZLTXCWLTGDFGM-OLZOCXBDSA-N -1 0 327.384 2.662 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c[nH]1 ZINC001610624874 1098791382 /nfs/dbraw/zinc/79/13/82/1098791382.db2.gz CWDHVPSERQPMLM-CXAGYDPISA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001610625841 1098791493 /nfs/dbraw/zinc/79/14/93/1098791493.db2.gz FBPLUVXOAFNZOA-UHFFFAOYSA-N -1 0 336.273 2.561 20 30 EFEDRM N#Cc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001610626233 1098791498 /nfs/dbraw/zinc/79/14/98/1098791498.db2.gz HAXGLMDWJIUZAQ-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1c(COC(=O)c2ccnn2-c2ccccc2)cccc1C(=O)[O-] ZINC001610624940 1098791525 /nfs/dbraw/zinc/79/15/25/1098791525.db2.gz IRAIHXMEDDHHNV-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)OCc3ccc(C(=O)[O-])o3)CC2)c1 ZINC001610625877 1098791569 /nfs/dbraw/zinc/79/15/69/1098791569.db2.gz HKNNIJUDPHHGCP-UHFFFAOYSA-N -1 0 329.283 2.764 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c[nH]c(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC001610627226 1098791928 /nfs/dbraw/zinc/79/19/28/1098791928.db2.gz CDCDMDIXERHMAT-LBPRGKRZSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)c(OC(F)F)c1 ZINC001610627113 1098792020 /nfs/dbraw/zinc/79/20/20/1098792020.db2.gz NAMUTWFFFAHEKR-UHFFFAOYSA-N -1 0 336.250 2.543 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(F)c1 ZINC001610626486 1098792088 /nfs/dbraw/zinc/79/20/88/1098792088.db2.gz UQHQZBBGSVBXSO-UHFFFAOYSA-N -1 0 342.257 2.763 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001610627084 1098792100 /nfs/dbraw/zinc/79/21/00/1098792100.db2.gz LDSCHYBTAUKRAF-HNNXBMFYSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1ccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC001610627617 1098792298 /nfs/dbraw/zinc/79/22/98/1098792298.db2.gz MMDJABLYXNSBRA-UHFFFAOYSA-N -1 0 343.722 2.950 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC001610627201 1098792623 /nfs/dbraw/zinc/79/26/23/1098792623.db2.gz QNLSTLXTPUKENO-UHFFFAOYSA-N -1 0 342.782 2.981 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001610627352 1098792635 /nfs/dbraw/zinc/79/26/35/1098792635.db2.gz XBZSRQGFUDHCDB-UHFFFAOYSA-N -1 0 326.264 2.522 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001610627830 1098792768 /nfs/dbraw/zinc/79/27/68/1098792768.db2.gz HRWSCBCNFMIAJE-UHFFFAOYSA-N -1 0 338.363 2.983 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC001610626533 1098793118 /nfs/dbraw/zinc/79/31/18/1098793118.db2.gz NIXJYCIUAIYMFB-CQSZACIVSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC001610630043 1098793942 /nfs/dbraw/zinc/79/39/42/1098793942.db2.gz JFXGMJZJIOYASA-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1ccc(NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001610629117 1098794269 /nfs/dbraw/zinc/79/42/69/1098794269.db2.gz MZVWXSQDSYROIW-CYBMUJFWSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC001610631090 1098794336 /nfs/dbraw/zinc/79/43/36/1098794336.db2.gz OBAMOYIUKUXYLS-UHFFFAOYSA-N -1 0 326.377 2.988 20 30 EFEDRM N#Cc1cccc(COC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC001610631129 1098794357 /nfs/dbraw/zinc/79/43/57/1098794357.db2.gz ORDNUYJWEUMDBZ-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001610631027 1098794510 /nfs/dbraw/zinc/79/45/10/1098794510.db2.gz LWVPKXQRPYZRPT-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001610629302 1098794527 /nfs/dbraw/zinc/79/45/27/1098794527.db2.gz QHXZBODEYLQEHE-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccnn2C2CCCC2)C(=O)[O-])c1 ZINC001610632310 1098795118 /nfs/dbraw/zinc/79/51/18/1098795118.db2.gz VGYJCHXWZAUVJE-INIZCTEOSA-N -1 0 339.351 2.853 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cnc(C3CC3)s2)C(=O)[O-])c1 ZINC001610632408 1098795324 /nfs/dbraw/zinc/79/53/24/1098795324.db2.gz WMNIKVCTTZFVJE-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001610631991 1098795380 /nfs/dbraw/zinc/79/53/80/1098795380.db2.gz PEKAOSGLRXXHIJ-GOSISDBHSA-N -1 0 334.331 2.951 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)n2)c1 ZINC001610631903 1098795448 /nfs/dbraw/zinc/79/54/48/1098795448.db2.gz ZRDJWXIEBWVGLK-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610632800 1098795783 /nfs/dbraw/zinc/79/57/83/1098795783.db2.gz GRXLVOWFLGNEDY-PYUISTEWSA-N -1 0 339.322 2.950 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001610632983 1098795958 /nfs/dbraw/zinc/79/59/58/1098795958.db2.gz OIFGINPZPXDWEU-WAYWQWQTSA-N -1 0 336.303 2.637 20 30 EFEDRM N#Cc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001610633090 1098796055 /nfs/dbraw/zinc/79/60/55/1098796055.db2.gz XKWLZJZXVCQFOO-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccn(C3CCCC3)n2)C(=O)[O-])c1 ZINC001610631656 1098796118 /nfs/dbraw/zinc/79/61/18/1098796118.db2.gz HCLWCRITDXCINL-INIZCTEOSA-N -1 0 339.351 2.853 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C2 ZINC001610632069 1098796145 /nfs/dbraw/zinc/79/61/45/1098796145.db2.gz CBFQQTKIOZFOFI-UHFFFAOYSA-N -1 0 342.380 2.580 20 30 EFEDRM N#Cc1cnc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cn1 ZINC001610633980 1098796814 /nfs/dbraw/zinc/79/68/14/1098796814.db2.gz YCVANZOEAGEOCN-INIZCTEOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1cnccc1NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001610633973 1098797133 /nfs/dbraw/zinc/79/71/33/1098797133.db2.gz XYQGBLITNGYRQE-QGZVFWFLSA-N -1 0 331.375 2.884 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001610634351 1098797586 /nfs/dbraw/zinc/79/75/86/1098797586.db2.gz XYDOQOKAFLUYBN-UHFFFAOYSA-N -1 0 336.756 2.989 20 30 EFEDRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001610651164 1098801869 /nfs/dbraw/zinc/80/18/69/1098801869.db2.gz NJMLUGZFNBGPEL-OAQYLSRUSA-N -1 0 333.387 2.683 20 30 EFEDRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC#Cc1ccccc1 ZINC001610650390 1098801888 /nfs/dbraw/zinc/80/18/88/1098801888.db2.gz GMHOWTFVESMRMB-IBGZPJMESA-N -1 0 346.386 2.722 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C=NNC(=S)NCC2CCC2)c1 ZINC001610830323 1098920094 /nfs/dbraw/zinc/92/00/94/1098920094.db2.gz KCVOLFPTROKSTQ-UHFFFAOYSA-N -1 0 325.821 2.636 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)c1 ZINC001610869739 1098947384 /nfs/dbraw/zinc/94/73/84/1098947384.db2.gz AOSNHWINFRDERL-ARJAWSKDSA-N -1 0 329.381 2.733 20 30 EFEDRM COc1ccc2c(O)c(C(=O)Nc3ccc(OC)c(C#N)c3)cnc2c1 ZINC001611626893 1099023703 /nfs/dbraw/zinc/02/37/03/1099023703.db2.gz YJQYLDBVTACBLE-UHFFFAOYSA-N -1 0 349.346 2.669 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000781957124 1099146153 /nfs/dbraw/zinc/14/61/53/1099146153.db2.gz BRZDTUMZLULGDI-VIFPVBQESA-N -1 0 347.795 2.907 20 30 EFEDRM Cc1nc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)s2)cs1 ZINC001627863928 1100038837 /nfs/dbraw/zinc/03/88/37/1100038837.db2.gz VWOVQIICKMROJZ-UHFFFAOYSA-N -1 0 340.393 2.899 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000042234234 1100076827 /nfs/dbraw/zinc/07/68/27/1100076827.db2.gz KVRCMNYZJMNQDL-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM Cc1cc2c(NC(=O)c3cc(F)c([O-])c(F)c3)n[nH]c2cc1C#N ZINC001628455268 1100103849 /nfs/dbraw/zinc/10/38/49/1100103849.db2.gz AWKULAMBGVUXAO-UHFFFAOYSA-N -1 0 328.278 2.979 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001630429924 1100304671 /nfs/dbraw/zinc/30/46/71/1100304671.db2.gz PRHZSSSZWRNYNN-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC001632266625 1100463553 /nfs/dbraw/zinc/46/35/53/1100463553.db2.gz NEFYTRZDOBIYMD-MRXNPFEDSA-N -1 0 348.362 2.805 20 30 EFEDRM C=CCOC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000785407054 1100472270 /nfs/dbraw/zinc/47/22/70/1100472270.db2.gz CUMTXGZQLJAUIB-UHFFFAOYSA-N -1 0 339.394 2.597 20 30 EFEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(Cl)c([O-])c2)n1 ZINC001637277314 1100769336 /nfs/dbraw/zinc/76/93/36/1100769336.db2.gz KHYRKQJULLIMJR-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(F)F ZINC000588394059 1101749939 /nfs/dbraw/zinc/74/99/39/1101749939.db2.gz VYIMXDPEKDJBOV-AFNCTOJWSA-N -1 0 336.290 2.825 20 30 EFEDRM C=C(C)CN1CCC2(CCN(C(=O)c3c(C)cccc3O)CC2)C1=O ZINC001271661782 1102226456 /nfs/dbraw/zinc/22/64/56/1102226456.db2.gz ZLVXFWHXWAHXBR-UHFFFAOYSA-N -1 0 342.439 2.731 20 30 EFEDRM C=C(C)C(=O)OCCNc1ccc(Br)cc1C(=O)[O-] ZINC001168071780 1102391758 /nfs/dbraw/zinc/39/17/58/1102391758.db2.gz BANOTBPPBLUBRS-UHFFFAOYSA-N -1 0 328.162 2.679 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1[O-] ZINC000748131610 1102665490 /nfs/dbraw/zinc/66/54/90/1102665490.db2.gz LEXRNQLDLRLYQY-UHFFFAOYSA-N -1 0 347.381 2.791 20 30 EFEDRM CC[C@H](CS(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2)OC ZINC000906071519 1103882919 /nfs/dbraw/zinc/88/29/19/1103882919.db2.gz HRMLZUHKOJNOTI-SNVBAGLBSA-N -1 0 328.459 2.665 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000906073400 1103904426 /nfs/dbraw/zinc/90/44/26/1103904426.db2.gz CAQNUUNKQBPOPL-UWVGGRQHSA-N -1 0 328.459 2.694 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1 ZINC000906073548 1103904493 /nfs/dbraw/zinc/90/44/93/1103904493.db2.gz PGRXASZMESQJKG-UHFFFAOYSA-N -1 0 336.438 2.918 20 30 EFEDRM CO[C@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000906073926 1103905175 /nfs/dbraw/zinc/90/51/75/1103905175.db2.gz RTAUJSQAMTXOEW-VHSXEESVSA-N -1 0 328.459 2.521 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000906074119 1103905318 /nfs/dbraw/zinc/90/53/18/1103905318.db2.gz FZSNMAFLRMYQLQ-SECBINFHSA-N -1 0 338.410 2.517 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000079731111 1104323534 /nfs/dbraw/zinc/32/35/34/1104323534.db2.gz DAFVUNAOEJSFES-UHFFFAOYSA-N -1 0 346.412 2.592 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960872 1104721718 /nfs/dbraw/zinc/72/17/18/1104721718.db2.gz OYDXLNIEULNEIS-UHFFFAOYSA-N -1 0 340.730 2.629 20 30 EFEDRM N=C(Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)c1nccs1 ZINC001168283735 1106011401 /nfs/dbraw/zinc/01/14/01/1106011401.db2.gz KEFPWKVGPYSHOR-UHFFFAOYSA-N -1 0 334.788 2.942 20 30 EFEDRM C=C(C)CO[N-]C(=O)COCCc1ccc(Br)cc1 ZINC000898281129 1106302796 /nfs/dbraw/zinc/30/27/96/1106302796.db2.gz PNVWSVAJHPDXOO-UHFFFAOYSA-N -1 0 328.206 2.632 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128831054 1106930152 /nfs/dbraw/zinc/93/01/52/1106930152.db2.gz CGTGQQRXMMZGJW-HNNXBMFYSA-N -1 0 326.352 2.544 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1 ZINC000093243234 1107132269 /nfs/dbraw/zinc/13/22/69/1107132269.db2.gz QMHUTNBTIDICCV-UHFFFAOYSA-N -1 0 346.408 2.663 20 30 EFEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000176379242 1108433631 /nfs/dbraw/zinc/43/36/31/1108433631.db2.gz ZRYWSKAGNXDSLE-ORCRQEGFSA-N -1 0 327.292 2.968 20 30 EFEDRM Cc1noc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000176387148 1108437659 /nfs/dbraw/zinc/43/76/59/1108437659.db2.gz RLKLKLCDPXJUNU-ZDUSSCGKSA-N -1 0 336.351 2.692 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000176396895 1108445893 /nfs/dbraw/zinc/44/58/93/1108445893.db2.gz FEZAIUUURYHPDA-UHFFFAOYSA-N -1 0 349.306 2.610 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000176392365 1108447183 /nfs/dbraw/zinc/44/71/83/1108447183.db2.gz LVKAQEPYRIBBDR-UHFFFAOYSA-N -1 0 329.337 2.903 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nnc(-c3ccccc3)o2)c1 ZINC000176407904 1108460117 /nfs/dbraw/zinc/46/01/17/1108460117.db2.gz ZSEIFHSSXDWWHN-UHFFFAOYSA-N -1 0 334.335 2.885 20 30 EFEDRM CCCCCCCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000128200665 1108808202 /nfs/dbraw/zinc/80/82/02/1108808202.db2.gz KMTNYKYKIJPGMZ-UHFFFAOYSA-N -1 0 334.467 2.599 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000128247517 1108844209 /nfs/dbraw/zinc/84/42/09/1108844209.db2.gz UFJJDDAINCTGKJ-CQSZACIVSA-N -1 0 348.337 2.973 20 30 EFEDRM C=C1CN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000898691131 1109058368 /nfs/dbraw/zinc/05/83/68/1109058368.db2.gz KVJCHGGIEZJNKH-UHFFFAOYSA-N -1 0 343.452 2.644 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2CC3(C2)OCCO3)c1[O-] ZINC000899227345 1109252492 /nfs/dbraw/zinc/25/24/92/1109252492.db2.gz JWWLPEDKUNAZSZ-LZYBPNLTSA-N -1 0 326.736 2.526 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1 ZINC000899340409 1109293365 /nfs/dbraw/zinc/29/33/65/1109293365.db2.gz CLODCOUCQZYWLS-FPLPWBNLSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000042232517 1109345324 /nfs/dbraw/zinc/34/53/24/1109345324.db2.gz BPNZLOSUNHJYPF-CYBMUJFWSA-N -1 0 348.355 2.597 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(Cn2cccn2)cc1 ZINC000042232484 1109345577 /nfs/dbraw/zinc/34/55/77/1109345577.db2.gz FGUDGDMVSWOKMH-UHFFFAOYSA-N -1 0 341.392 2.625 20 30 EFEDRM C=CCOc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])cc1 ZINC000899782459 1109473198 /nfs/dbraw/zinc/47/31/98/1109473198.db2.gz MNMIOTMVSPDMEZ-DKYLXPRQSA-N -1 0 341.407 2.781 20 30 EFEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1OCC#N ZINC000899774124 1109475111 /nfs/dbraw/zinc/47/51/11/1109475111.db2.gz OMWYMJDKSANNGJ-XPGNFFGISA-N -1 0 344.342 2.580 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(CC(F)F)C2CCC2)cc1C#N ZINC000899787237 1109480292 /nfs/dbraw/zinc/48/02/92/1109480292.db2.gz RAMQBOSVBGBPPV-UHFFFAOYSA-N -1 0 327.356 2.641 20 30 EFEDRM CCc1sc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1C ZINC000042291904 1109549819 /nfs/dbraw/zinc/54/98/19/1109549819.db2.gz DCQINUJRAUJKIN-UHFFFAOYSA-N -1 0 328.415 2.917 20 30 EFEDRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)C1(C)C ZINC000042325160 1109644891 /nfs/dbraw/zinc/64/48/91/1109644891.db2.gz AZTPMIMSEHAPHR-STQMWFEESA-N -1 0 339.461 2.921 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2C#N)cc1 ZINC000176538727 1111098154 /nfs/dbraw/zinc/09/81/54/1111098154.db2.gz IOVGOTHICIUWDY-OAHLLOKOSA-N -1 0 335.388 2.778 20 30 EFEDRM Cc1nc(-c2ccccc2)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1 ZINC000914532640 1111241295 /nfs/dbraw/zinc/24/12/95/1111241295.db2.gz QZELCSCATNFMSW-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM Cc1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c2ccccn12 ZINC000914599702 1111284107 /nfs/dbraw/zinc/28/41/07/1111284107.db2.gz KPCKUTLPASQIOU-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM CC(C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699962 1111332531 /nfs/dbraw/zinc/33/25/31/1111332531.db2.gz XEVMVUJUHOIHDZ-UHFFFAOYSA-N -1 0 333.417 2.721 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C(C)C)c1 ZINC000916877137 1111993998 /nfs/dbraw/zinc/99/39/98/1111993998.db2.gz ONAVFFSYLAWSNU-HNNXBMFYSA-N -1 0 341.415 2.641 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc(Br)cc1C ZINC000916878455 1111994281 /nfs/dbraw/zinc/99/42/81/1111994281.db2.gz XFBAMLYPZCIQFN-SNVBAGLBSA-N -1 0 341.205 2.979 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1C ZINC000916872820 1111995576 /nfs/dbraw/zinc/99/55/76/1111995576.db2.gz OPUXQFDEGVEWAE-CYBMUJFWSA-N -1 0 336.457 2.873 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1noc2c1CCCC2 ZINC000916933305 1112001509 /nfs/dbraw/zinc/00/15/09/1112001509.db2.gz CRTMYSLQLVTIDE-LBPRGKRZSA-N -1 0 339.351 2.523 20 30 EFEDRM N#CC1(c2ccc(Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc2)CC1 ZINC001212263017 1112412020 /nfs/dbraw/zinc/41/20/20/1112412020.db2.gz PJMAFFUXYYMLQL-UHFFFAOYSA-N -1 0 335.363 2.800 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183133344 1118704269 /nfs/dbraw/zinc/70/42/69/1118704269.db2.gz WKPXTBPXJJAVIM-LLVKDONJSA-N -1 0 347.352 2.686 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000131049334 1118828281 /nfs/dbraw/zinc/82/82/81/1118828281.db2.gz OOZNODKLOSXFQA-ZDUSSCGKSA-N -1 0 327.409 2.581 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cnc3onc(CC)c3c2)c1 ZINC000185575421 1120310814 /nfs/dbraw/zinc/31/08/14/1120310814.db2.gz DKCABLPZPGKDBI-UHFFFAOYSA-N -1 0 327.365 2.567 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2nccc3ccccc32)cc1 ZINC000073087005 1120534761 /nfs/dbraw/zinc/53/47/61/1120534761.db2.gz YKHHWSRKLBLXAS-UHFFFAOYSA-N -1 0 337.360 2.800 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000183398290 529730906 /nfs/dbraw/zinc/73/09/06/529730906.db2.gz UFBRUZYPCYIIID-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000355649501 290840822 /nfs/dbraw/zinc/84/08/22/290840822.db2.gz ZYAVPYLTRPXLGG-UHFFFAOYSA-N -1 0 333.351 2.744 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000353815940 146566888 /nfs/dbraw/zinc/56/68/88/146566888.db2.gz NXSKPKDSGWHSNE-UHFFFAOYSA-N -1 0 332.356 2.823 20 30 EFEDRM O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000021314036 202064665 /nfs/dbraw/zinc/06/46/65/202064665.db2.gz DNBMEMVAPBSYKL-JYRVWZFOSA-N -1 0 333.369 2.803 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262730669 240365751 /nfs/dbraw/zinc/36/57/51/240365751.db2.gz BTMKRXSRWPOAPM-SECBINFHSA-N -1 0 331.290 2.815 20 30 EFEDRM C=CCc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc(OC)c1OC ZINC000262036733 201201240 /nfs/dbraw/zinc/20/12/40/201201240.db2.gz HGURFQPJBCAFJB-UHFFFAOYSA-N -1 0 347.411 2.806 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000262377848 201202386 /nfs/dbraw/zinc/20/23/86/201202386.db2.gz GNFNWFLQXARYRY-GFCCVEGCSA-N -1 0 341.354 2.749 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1OC ZINC000263010089 201205831 /nfs/dbraw/zinc/20/58/31/201205831.db2.gz PNMPIEDNEXYZBU-ZQIUZPCESA-N -1 0 345.395 2.585 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262985432 201206072 /nfs/dbraw/zinc/20/60/72/201206072.db2.gz JUBJLMTZORYGBC-OAHLLOKOSA-N -1 0 341.791 2.573 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc1OC ZINC000262901066 201206259 /nfs/dbraw/zinc/20/62/59/201206259.db2.gz ICFDTCVYZZWYDY-GOSISDBHSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262950620 201206311 /nfs/dbraw/zinc/20/63/11/201206311.db2.gz HGPXQJFFCGYITL-IINYFYTJSA-N -1 0 341.791 2.572 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](CCC)C(=O)[O-])cc1OC ZINC000271924765 201247772 /nfs/dbraw/zinc/24/77/72/201247772.db2.gz CBAUXXFKVYLSKU-QSYFUGGGSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NCC(C)(C)C(=O)[O-])cc1OC ZINC000269028522 201229025 /nfs/dbraw/zinc/22/90/25/201229025.db2.gz LGZLGBFQEBTCMF-VQHVLOKHSA-N -1 0 333.384 2.500 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000268936335 201229082 /nfs/dbraw/zinc/22/90/82/201229082.db2.gz CCFCSEFXRAIFEZ-AWEZNQCLSA-N -1 0 335.400 2.528 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000276980743 201298986 /nfs/dbraw/zinc/29/89/86/201298986.db2.gz FNVWNWWRRVBVPP-UHFFFAOYSA-N -1 0 342.361 2.701 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000276343441 201293023 /nfs/dbraw/zinc/29/30/23/201293023.db2.gz SKYLQXJZXMDHAV-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cn1 ZINC000174758798 239240646 /nfs/dbraw/zinc/24/06/46/239240646.db2.gz HZKXVJWBUZOILU-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000096054772 201374662 /nfs/dbraw/zinc/37/46/62/201374662.db2.gz NDRSNFJJLXDSLD-KHPPLWFESA-N -1 0 332.425 2.641 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000187728934 239723909 /nfs/dbraw/zinc/72/39/09/239723909.db2.gz HXNGRSIETCAFLI-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058421354 202766601 /nfs/dbraw/zinc/76/66/01/202766601.db2.gz OFCBODRJXMPBHQ-IONNQARKSA-N -1 0 332.303 2.878 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000192870889 240069364 /nfs/dbraw/zinc/06/93/64/240069364.db2.gz QDHZECATCWZHCC-UHFFFAOYSA-N -1 0 331.393 2.762 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC000193008216 240077638 /nfs/dbraw/zinc/07/76/38/240077638.db2.gz NAOPQZOPQRNXJI-UHFFFAOYSA-N -1 0 329.356 2.520 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000237633856 240245458 /nfs/dbraw/zinc/24/54/58/240245458.db2.gz ARPKLFPRXAQJOV-SECBINFHSA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000262793500 240369559 /nfs/dbraw/zinc/36/95/59/240369559.db2.gz BZJUFIKAUVXUJX-LLVKDONJSA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000262845173 240372228 /nfs/dbraw/zinc/37/22/28/240372228.db2.gz HIAVEFQHDXNVEP-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000262861660 240372344 /nfs/dbraw/zinc/37/23/44/240372344.db2.gz ARKMBWAZCGFSOB-XJKSGUPXSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000262837244 240373063 /nfs/dbraw/zinc/37/30/63/240373063.db2.gz GKXSWXPVVVJADQ-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1)C(=O)[O-] ZINC000262899969 240373193 /nfs/dbraw/zinc/37/31/93/240373193.db2.gz MELFWBXCJFYIJI-OAHLLOKOSA-N -1 0 345.374 2.777 20 30 EFEDRM N#CCc1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000262892998 240373338 /nfs/dbraw/zinc/37/33/38/240373338.db2.gz LOTIZYDPUMAVAW-QZTJIDSGSA-N -1 0 334.375 2.693 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000262878336 240373386 /nfs/dbraw/zinc/37/33/86/240373386.db2.gz KHZHQDULSCTERU-JOYOIKCWSA-N -1 0 329.755 2.782 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262956834 240374052 /nfs/dbraw/zinc/37/40/52/240374052.db2.gz IWCGISQGWNZRJJ-ZDUSSCGKSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262931543 240375040 /nfs/dbraw/zinc/37/50/40/240375040.db2.gz OYHWJTZYYVLQFO-LLVKDONJSA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262966619 240375419 /nfs/dbraw/zinc/37/54/19/240375419.db2.gz JOZWMRPYOWEGEP-CQSZACIVSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1CC)C(=O)[O-] ZINC000262959423 240375521 /nfs/dbraw/zinc/37/55/21/240375521.db2.gz RMMVIMFFJSVMDL-INIZCTEOSA-N -1 0 341.411 2.643 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263090090 240376316 /nfs/dbraw/zinc/37/63/16/240376316.db2.gz SRIWRQJDVUPNEJ-FUTAKVPZSA-N -1 0 331.412 2.985 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC000263076074 240376890 /nfs/dbraw/zinc/37/68/90/240376890.db2.gz RTCSJYRINPGYHR-ZBFHGGJFSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263025305 240378088 /nfs/dbraw/zinc/37/80/88/240378088.db2.gz ODKAKBGUGOPLMZ-SWLSCSKDSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000263111327 240379834 /nfs/dbraw/zinc/37/98/34/240379834.db2.gz URLPRIVGHYZODY-ZYHUDNBSSA-N -1 0 343.832 2.593 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000263374232 240383344 /nfs/dbraw/zinc/38/33/44/240383344.db2.gz WIJKHORHKIKFPH-VNQPRFMTSA-N -1 0 329.400 2.784 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263489729 240384900 /nfs/dbraw/zinc/38/49/00/240384900.db2.gz QSRKWTUWLRWBQU-IBGZPJMESA-N -1 0 335.407 2.767 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)nn1CCC#N ZINC000271342082 240631733 /nfs/dbraw/zinc/63/17/33/240631733.db2.gz CYOBMTQAWKAIBL-UHFFFAOYSA-N -1 0 348.428 2.693 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)nn1CCC#N ZINC000288175824 241003590 /nfs/dbraw/zinc/00/35/90/241003590.db2.gz DPIGSRIJEBUBIH-UHFFFAOYSA-N -1 0 340.355 2.844 20 30 EFEDRM C=CCOc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000324091247 241204066 /nfs/dbraw/zinc/20/40/66/241204066.db2.gz JLCJROBKAZZJMO-MRXNPFEDSA-N -1 0 325.364 2.677 20 30 EFEDRM Cn1nccc1[C@H]1[C@H](C(=O)Nc2cccc(Cl)c2[O-])CC(=O)N1C ZINC000328925409 241268425 /nfs/dbraw/zinc/26/84/25/241268425.db2.gz DUUOCOPLSXUYRO-YMTOWFKASA-N -1 0 348.790 2.587 20 30 EFEDRM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000328659129 241214768 /nfs/dbraw/zinc/21/47/68/241214768.db2.gz SEAKEHAPJKYALG-LLVKDONJSA-N -1 0 343.366 2.652 20 30 EFEDRM C[C@H]1CCc2nc(NC(=O)c3cccn4c([O-])nnc34)sc2C1 ZINC000329360900 241356447 /nfs/dbraw/zinc/35/64/47/241356447.db2.gz YEMWJWLNNGLHGH-QMMMGPOBSA-N -1 0 329.385 2.653 20 30 EFEDRM Cc1csc(C2(NC(=O)c3cccn4c([O-])nnc34)CCC2)n1 ZINC000329310965 241348551 /nfs/dbraw/zinc/34/85/51/241348551.db2.gz GAXSQKQALSYMJI-UHFFFAOYSA-N -1 0 329.385 2.584 20 30 EFEDRM O=C(N=c1[n-]nc(C(F)(F)F)s1)NC[C@@H]1CCCCS1 ZINC000329556362 241395408 /nfs/dbraw/zinc/39/54/08/241395408.db2.gz KUOSWXJEUKLRTK-LURJTMIESA-N -1 0 326.369 2.590 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3(C#N)CCCC3)n2)c1 ZINC000332158008 241640693 /nfs/dbraw/zinc/64/06/93/241640693.db2.gz RXTRTWZRFNDTMU-UHFFFAOYSA-N -1 0 328.347 2.592 20 30 EFEDRM N#CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000344498279 241812986 /nfs/dbraw/zinc/81/29/86/241812986.db2.gz JEEIENMJALIBAZ-UHFFFAOYSA-N -1 0 349.437 2.582 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCCCCC#N)s1 ZINC000348864573 241861720 /nfs/dbraw/zinc/86/17/20/241861720.db2.gz QZZZFQHTRWEORB-UHFFFAOYSA-N -1 0 333.392 2.890 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350640193 241886757 /nfs/dbraw/zinc/88/67/57/241886757.db2.gz SMOPRBIZNLADGS-SNVBAGLBSA-N -1 0 338.458 2.949 20 30 EFEDRM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354476576 242002023 /nfs/dbraw/zinc/00/20/23/242002023.db2.gz ZHOVLNSLXBUYMW-HNNXBMFYSA-N -1 0 347.378 2.941 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000352193890 241922704 /nfs/dbraw/zinc/92/27/04/241922704.db2.gz UXEWBWUDDZUYTC-UHFFFAOYSA-N -1 0 345.420 2.993 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1CC#N ZINC000355833296 242048969 /nfs/dbraw/zinc/04/89/69/242048969.db2.gz PPAYDCFJHRLTCK-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000355867379 242049492 /nfs/dbraw/zinc/04/94/92/242049492.db2.gz MAYJYNQYEPUXLU-UHFFFAOYSA-N -1 0 338.392 2.944 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000354605441 242007058 /nfs/dbraw/zinc/00/70/58/242007058.db2.gz RJCRCQKDXWEDBM-UHFFFAOYSA-N -1 0 327.768 2.913 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc(-c2ccccc2)cs1 ZINC000355075715 242021942 /nfs/dbraw/zinc/02/19/42/242021942.db2.gz AYMXHZNECONZRJ-LBPRGKRZSA-N -1 0 336.376 2.889 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000355477550 242033436 /nfs/dbraw/zinc/03/34/36/242033436.db2.gz YYLSACHHXDDFOJ-UHFFFAOYSA-N -1 0 335.425 2.603 20 30 EFEDRM C=C(C)Cn1c(-c2cccc3cccnc32)n[n-]c1=Nc1cnn(C)c1 ZINC000359107113 242141585 /nfs/dbraw/zinc/14/15/85/242141585.db2.gz IRXBFHXJVUKWNH-UHFFFAOYSA-N -1 0 345.410 2.968 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357110587 242090332 /nfs/dbraw/zinc/09/03/32/242090332.db2.gz ZVODXBCTDOGQKI-UHFFFAOYSA-N -1 0 329.381 2.709 20 30 EFEDRM CC#CCCCC(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360441898 242198731 /nfs/dbraw/zinc/19/87/31/242198731.db2.gz LQUDZKKJLDBKHW-UHFFFAOYSA-N -1 0 347.422 2.876 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2nnc(C3CC3)n2C2CC2)s1 ZINC000360944927 242213649 /nfs/dbraw/zinc/21/36/49/242213649.db2.gz ANCBHCGXYUSFMD-UHFFFAOYSA-N -1 0 334.474 2.654 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000361519197 242225282 /nfs/dbraw/zinc/22/52/82/242225282.db2.gz MUSUGEIIMUCSJQ-JTQLQIEISA-N -1 0 337.360 2.968 20 30 EFEDRM Cn1c2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2[nH]c1=O ZINC000361530857 242226089 /nfs/dbraw/zinc/22/60/89/242226089.db2.gz MFVWOTYLQNFCPE-GFCCVEGCSA-N -1 0 343.346 2.712 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1C#N ZINC000361678357 242229661 /nfs/dbraw/zinc/22/96/61/242229661.db2.gz NTQRRQBUTNCWQW-GFCCVEGCSA-N -1 0 333.376 2.905 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C#N ZINC000361675326 242229976 /nfs/dbraw/zinc/22/99/76/242229976.db2.gz LMMKHQLKJKQGNS-VIFPVBQESA-N -1 0 340.293 2.527 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000361809650 242233468 /nfs/dbraw/zinc/23/34/68/242233468.db2.gz RECAAQNKJAUAFV-ZDUSSCGKSA-N -1 0 346.374 2.773 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2OC)s1 ZINC000362333919 242249914 /nfs/dbraw/zinc/24/99/14/242249914.db2.gz MZXGCQRFVLIYKQ-UHFFFAOYSA-N -1 0 338.414 2.767 20 30 EFEDRM C#CCOc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000367611032 242386627 /nfs/dbraw/zinc/38/66/27/242386627.db2.gz ZHKCSHHJFGXZCO-GOSISDBHSA-N -1 0 335.359 2.523 20 30 EFEDRM CC(C)(CC#N)CNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000412424861 243308880 /nfs/dbraw/zinc/30/88/80/243308880.db2.gz WBOWLAMMLDNJSO-UHFFFAOYSA-N -1 0 329.169 2.963 20 30 EFEDRM N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000069708470 203041401 /nfs/dbraw/zinc/04/14/01/203041401.db2.gz AUJSRXZPFFITTC-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM Cc1nn(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl ZINC000069869446 203058175 /nfs/dbraw/zinc/05/81/75/203058175.db2.gz JCAUVQYYUYAHRY-UHFFFAOYSA-N -1 0 345.783 2.638 20 30 EFEDRM N#CCc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000414096810 244004820 /nfs/dbraw/zinc/00/48/20/244004820.db2.gz QYMMQCCUUVTZTH-UHFFFAOYSA-N -1 0 334.375 2.951 20 30 EFEDRM N#Cc1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)cc1 ZINC000414620263 244256205 /nfs/dbraw/zinc/25/62/05/244256205.db2.gz CVYYICDQJHWMSY-UHFFFAOYSA-N -1 0 329.400 2.877 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416732600 244811465 /nfs/dbraw/zinc/81/14/65/244811465.db2.gz KSKCVDSFZNYRNG-ZDUSSCGKSA-N -1 0 327.413 2.593 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000416945450 244925604 /nfs/dbraw/zinc/92/56/04/244925604.db2.gz AAWOEQUVLOHRTC-SECBINFHSA-N -1 0 341.339 2.880 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000101927905 204026617 /nfs/dbraw/zinc/02/66/17/204026617.db2.gz UXQCVFZAXNODEW-ZDUSSCGKSA-N -1 0 343.408 2.666 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@@H](C)C(=O)N3)n1 ZINC000103795973 204087618 /nfs/dbraw/zinc/08/76/18/204087618.db2.gz LJNMTRYXFPTKIS-GXSJLCMTSA-N -1 0 327.365 2.661 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1 ZINC000048382519 204351234 /nfs/dbraw/zinc/35/12/34/204351234.db2.gz UPXWCYIEIQESAT-UHFFFAOYSA-N -1 0 332.400 2.822 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c(C)c1C ZINC000123339746 204912749 /nfs/dbraw/zinc/91/27/49/204912749.db2.gz YQOOFPMQZAQBNT-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000158429479 205324960 /nfs/dbraw/zinc/32/49/60/205324960.db2.gz GZRGJQOVCYNGMW-CQSZACIVSA-N -1 0 334.441 2.842 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000158424312 205325712 /nfs/dbraw/zinc/32/57/12/205325712.db2.gz GGHJDBXOUVWEPL-UHFFFAOYSA-N -1 0 349.387 2.845 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1nc(C)cs1 ZINC000157285460 206127875 /nfs/dbraw/zinc/12/78/75/206127875.db2.gz CZCBLKDIKQYGDS-GFCCVEGCSA-N -1 0 339.417 2.892 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ccc1OC(C)C ZINC000157903898 206162210 /nfs/dbraw/zinc/16/22/10/206162210.db2.gz TYPQJUVWCUNZRK-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000425659497 247158081 /nfs/dbraw/zinc/15/80/81/247158081.db2.gz VYAYWYSUWMCWFX-PFDYWKIBSA-N -1 0 329.385 2.537 20 30 EFEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000426499211 247288851 /nfs/dbraw/zinc/28/88/51/247288851.db2.gz JPKOIBYOZGJARW-GFCCVEGCSA-N -1 0 346.350 2.924 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1F ZINC000427209955 247329214 /nfs/dbraw/zinc/32/92/14/247329214.db2.gz AMFDTNPFTCZMDK-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1cc(S(C)(=O)=O)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000427008394 247307307 /nfs/dbraw/zinc/30/73/07/247307307.db2.gz LXWFXVDSONQQET-UHFFFAOYSA-N -1 0 344.392 2.537 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)s1 ZINC000435489423 248245722 /nfs/dbraw/zinc/24/57/22/248245722.db2.gz BMRFBVQCKKVEKF-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435493910 248245843 /nfs/dbraw/zinc/24/58/43/248245843.db2.gz TZCZZDLPZQRXMV-UHFFFAOYSA-N -1 0 326.374 2.958 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)s1 ZINC000435499381 248245858 /nfs/dbraw/zinc/24/58/58/248245858.db2.gz AUCRVQUWPDXDIP-UHFFFAOYSA-N -1 0 336.423 2.872 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)s1 ZINC000435478245 248245949 /nfs/dbraw/zinc/24/59/49/248245949.db2.gz GEKZRYMANDPLMO-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[nH][nH]2)cc1[O-] ZINC000443062975 250155921 /nfs/dbraw/zinc/15/59/21/250155921.db2.gz MSOZEOPXWUBXOH-UHFFFAOYSA-N -1 0 340.289 2.606 20 30 EFEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000443149119 250165849 /nfs/dbraw/zinc/16/58/49/250165849.db2.gz WWODBZWLXKNUBG-UHFFFAOYSA-N -1 0 329.381 2.593 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cn1 ZINC000175039372 207087433 /nfs/dbraw/zinc/08/74/33/207087433.db2.gz ZWOSQKBCHPHWRJ-UHFFFAOYSA-N -1 0 347.371 2.824 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)ccc1F ZINC000177299811 207316985 /nfs/dbraw/zinc/31/69/85/207316985.db2.gz AJIXGIOIXCMVGV-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COCc1nn(C)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453776889 252072094 /nfs/dbraw/zinc/07/20/94/252072094.db2.gz HNTRLYQPOPSVTB-JTQLQIEISA-N -1 0 332.429 2.811 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000238200182 304255594 /nfs/dbraw/zinc/25/55/94/304255594.db2.gz KUTPURLMZPVWQH-SFHVURJKSA-N -1 0 335.359 2.902 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(CC)c1)c1ccc(F)cc1 ZINC000097142068 258068533 /nfs/dbraw/zinc/06/85/33/258068533.db2.gz ZPURAUWQJXTYRE-CQSZACIVSA-N -1 0 339.392 2.881 20 30 EFEDRM CC(=Cc1cnn(Cc2ccc(F)cc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609807 533414064 /nfs/dbraw/zinc/41/40/64/533414064.db2.gz QSUMZEJYUYNMJY-KPKJPENVSA-N -1 0 349.369 2.894 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000353991417 146606213 /nfs/dbraw/zinc/60/62/13/146606213.db2.gz BSQVJURPBHDUQW-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000263401379 141390721 /nfs/dbraw/zinc/39/07/21/141390721.db2.gz JASWQRCBXLVXGW-IBGZPJMESA-N -1 0 338.411 2.785 20 30 EFEDRM C[C@@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC000263558716 141405251 /nfs/dbraw/zinc/40/52/51/141405251.db2.gz PWOFWJFQMKMGRZ-LBPRGKRZSA-N -1 0 326.400 2.641 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(Cl)c1 ZINC000341666404 141847461 /nfs/dbraw/zinc/84/74/61/141847461.db2.gz PCQDZJJZYLZVMQ-NSHDSACASA-N -1 0 338.738 2.831 20 30 EFEDRM Cc1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)cc1C ZINC000341771513 141864213 /nfs/dbraw/zinc/86/42/13/141864213.db2.gz IGJXKRNWGASLJI-HSZRJFAPSA-N -1 0 326.421 2.599 20 30 EFEDRM Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1C#N ZINC000344883943 142092437 /nfs/dbraw/zinc/09/24/37/142092437.db2.gz BCEDQWNRSXWTLL-UHFFFAOYSA-N -1 0 341.371 2.959 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N=c2cccn[n-]2)cc1 ZINC000346091743 142145831 /nfs/dbraw/zinc/14/58/31/142145831.db2.gz ZCCNHKOKUNWBDX-UHFFFAOYSA-N -1 0 334.310 2.954 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3ccccc3F)o2)c(F)c1 ZINC000347887411 142287526 /nfs/dbraw/zinc/28/75/26/142287526.db2.gz HNNGITYEWCMVDL-UHFFFAOYSA-N -1 0 326.306 2.844 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)n[nH]2)s1 ZINC000340938532 144957417 /nfs/dbraw/zinc/95/74/17/144957417.db2.gz MDBZIRAIYHZWKO-UHFFFAOYSA-N -1 0 334.382 2.712 20 30 EFEDRM N#Cc1ccccc1CSCCN=c1[n-]nc(-c2ccon2)s1 ZINC000341350165 145037752 /nfs/dbraw/zinc/03/77/52/145037752.db2.gz MSXFVHCWYWLDEV-UHFFFAOYSA-N -1 0 343.437 2.832 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(F)c1 ZINC000341444828 145053042 /nfs/dbraw/zinc/05/30/42/145053042.db2.gz BGQFMRSFKKOWIN-UHFFFAOYSA-N -1 0 336.310 2.693 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)o1 ZINC000342453406 145129614 /nfs/dbraw/zinc/12/96/14/145129614.db2.gz SUWOYKIYZVZYOL-UHFFFAOYSA-N -1 0 341.320 2.840 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000342578679 145152872 /nfs/dbraw/zinc/15/28/72/145152872.db2.gz XWVLWCKYCHFNLT-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000342589306 145154473 /nfs/dbraw/zinc/15/44/73/145154473.db2.gz BDKIWTDVQOXJGP-BBRMVZONSA-N -1 0 348.374 2.746 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CCc2ccco2)cc1C#N ZINC000349125090 146056769 /nfs/dbraw/zinc/05/67/69/146056769.db2.gz OEXYWWORIGTFGP-JTQLQIEISA-N -1 0 331.397 2.725 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CSCC3)c1 ZINC000351159148 146114047 /nfs/dbraw/zinc/11/40/47/146114047.db2.gz BFZNNPXBEUHBJW-UHFFFAOYSA-N -1 0 337.451 2.605 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000351220832 146116669 /nfs/dbraw/zinc/11/66/69/146116669.db2.gz INFBZBQEZUWRNR-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM COCc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000351827943 146212789 /nfs/dbraw/zinc/21/27/89/146212789.db2.gz SSRSLXVQBYBXMN-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM Cc1ccccc1-n1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)nn1 ZINC000352040357 146274023 /nfs/dbraw/zinc/27/40/23/146274023.db2.gz OITVOHUOFWTPPZ-VQHVLOKHSA-N -1 0 331.335 2.711 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC000352897563 146343811 /nfs/dbraw/zinc/34/38/11/146343811.db2.gz BLUJQAVCAMWPIS-UHFFFAOYSA-N -1 0 346.408 2.557 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1F ZINC000352903882 146345495 /nfs/dbraw/zinc/34/54/95/146345495.db2.gz WQTRNIABGBHZNJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCn1cn[n-]c1=NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000356190903 147171715 /nfs/dbraw/zinc/17/17/15/147171715.db2.gz QGIXRBNSZORUIR-UHFFFAOYSA-N -1 0 347.378 2.945 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000356494820 147260637 /nfs/dbraw/zinc/26/06/37/147260637.db2.gz BJCUWZMZFANZJQ-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM N#Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1F ZINC000356954797 147383137 /nfs/dbraw/zinc/38/31/37/147383137.db2.gz XRMNUTCZGKCKOM-UHFFFAOYSA-N -1 0 338.338 2.896 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000359405786 148076877 /nfs/dbraw/zinc/07/68/77/148076877.db2.gz YVDQJQHEPWRCOB-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1C ZINC000359658703 148154487 /nfs/dbraw/zinc/15/44/87/148154487.db2.gz FEHYCUVKCDIDFH-LLVKDONJSA-N -1 0 348.428 2.844 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cnn1C(CC)CC ZINC000359661939 148155221 /nfs/dbraw/zinc/15/52/21/148155221.db2.gz PEGFPLBDTCGQFK-UHFFFAOYSA-N -1 0 347.444 2.874 20 30 EFEDRM Cc1cccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1Br ZINC000359712803 148168326 /nfs/dbraw/zinc/16/83/26/148168326.db2.gz CPMAVICEMSOIGA-UHFFFAOYSA-N -1 0 345.200 2.904 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1csc(Cc2ccccc2)n1 ZINC000359713828 148169481 /nfs/dbraw/zinc/16/94/81/148169481.db2.gz FKBDFGJZSFQZLV-UHFFFAOYSA-N -1 0 349.419 2.880 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000359721800 148171857 /nfs/dbraw/zinc/17/18/57/148171857.db2.gz YVSORGMRXGMZCZ-NWDGAFQWSA-N -1 0 326.787 2.976 20 30 EFEDRM Cc1nc(-c2ccccc2)oc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359724766 148173052 /nfs/dbraw/zinc/17/30/52/148173052.db2.gz MWQNTZRZJUNILC-UHFFFAOYSA-N -1 0 333.351 2.796 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(Br)c1F ZINC000359727806 148173492 /nfs/dbraw/zinc/17/34/92/148173492.db2.gz UEQOJCTZBKSZET-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ncsc1-c1ccccc1 ZINC000359727867 148173645 /nfs/dbraw/zinc/17/36/45/148173645.db2.gz UYXNAFWGRWVQHR-UHFFFAOYSA-N -1 0 335.392 2.956 20 30 EFEDRM N#Cc1cccc(CCN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000359931386 148227035 /nfs/dbraw/zinc/22/70/35/148227035.db2.gz YPVAOZOTZHNDID-UHFFFAOYSA-N -1 0 335.323 2.593 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000408192838 152162273 /nfs/dbraw/zinc/16/22/73/152162273.db2.gz PXHQWZMEYFRWDY-HYVNUMGLSA-N -1 0 346.452 2.970 20 30 EFEDRM CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408484149 152199007 /nfs/dbraw/zinc/19/90/07/152199007.db2.gz ZCDHSCRBYPOCLH-LBPRGKRZSA-N -1 0 340.832 2.843 20 30 EFEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000161298881 544810930 /nfs/dbraw/zinc/81/09/30/544810930.db2.gz ZUEVCYIISNPRRC-UHFFFAOYSA-N -1 0 335.360 2.682 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc([C@H]3CCCc4ccccc43)s2)[nH]1 ZINC000432622673 269959122 /nfs/dbraw/zinc/95/91/22/269959122.db2.gz ZAYOSZPENQBBJI-AWEZNQCLSA-N -1 0 349.419 2.880 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ccc1OC(C)C ZINC000290438511 270024285 /nfs/dbraw/zinc/02/42/85/270024285.db2.gz BOEUWOSCCDPKIH-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290461163 270024456 /nfs/dbraw/zinc/02/44/56/270024456.db2.gz DMGUNQJELNPFCH-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM N#Cc1cc(F)c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(F)c1 ZINC000290773522 270024757 /nfs/dbraw/zinc/02/47/57/270024757.db2.gz VQWFMCVHSUHJPY-VIFPVBQESA-N -1 0 347.287 2.731 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n[nH]c1C1CC1 ZINC000296107897 270025377 /nfs/dbraw/zinc/02/53/77/270025377.db2.gz XQQNGTYGSNGHDI-UHFFFAOYSA-N -1 0 328.397 2.837 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccnc(Oc3ccccc3)c2)[n-]c1C#N ZINC000522841143 270034166 /nfs/dbraw/zinc/03/41/66/270034166.db2.gz JXVQTGBNORSJFB-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@H]2C)[n-]1 ZINC000530457502 270035396 /nfs/dbraw/zinc/03/53/96/270035396.db2.gz DNKSZRUVAZLVIQ-WMLDXEAASA-N -1 0 337.427 2.611 20 30 EFEDRM N#Cc1csc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000530885544 270035510 /nfs/dbraw/zinc/03/55/10/270035510.db2.gz CFKVFHNFBACHNY-WDZFZDKYSA-N -1 0 349.371 2.972 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cn1 ZINC000532393986 270035540 /nfs/dbraw/zinc/03/55/40/270035540.db2.gz IIEONUHMSMHSSF-UHFFFAOYSA-N -1 0 331.401 2.525 20 30 EFEDRM COc1ccc(COCCCNC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188426804 265133568 /nfs/dbraw/zinc/13/35/68/265133568.db2.gz YVRXHXZVZSSGTB-UHFFFAOYSA-N -1 0 340.379 2.609 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1O ZINC000188427522 265134045 /nfs/dbraw/zinc/13/40/45/265134045.db2.gz MXRUEAKQUFAFJL-KRWDZBQOSA-N -1 0 326.327 2.617 20 30 EFEDRM CSc1ccccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000188472709 265137283 /nfs/dbraw/zinc/13/72/83/265137283.db2.gz TYOQKCMEFDMPEW-UHFFFAOYSA-N -1 0 336.442 2.858 20 30 EFEDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C ZINC000288522469 266021107 /nfs/dbraw/zinc/02/11/07/266021107.db2.gz NRUHYQNYTTXVDX-UHFFFAOYSA-N -1 0 347.396 2.999 20 30 EFEDRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000288606205 266027943 /nfs/dbraw/zinc/02/79/43/266027943.db2.gz OPMWWZKXMRLYET-UHFFFAOYSA-N -1 0 326.403 2.536 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cnn1CCC(C)C ZINC000288347937 266435638 /nfs/dbraw/zinc/43/56/38/266435638.db2.gz WSFRYTRXTNYBPM-UHFFFAOYSA-N -1 0 336.417 2.757 20 30 EFEDRM C[C@@H]1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000183018443 267009384 /nfs/dbraw/zinc/00/93/84/267009384.db2.gz FCHANWGVMKEILY-STQMWFEESA-N -1 0 334.441 2.577 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C#N)s1 ZINC000292849941 267111175 /nfs/dbraw/zinc/11/11/75/267111175.db2.gz TYPUACRMIJXPDF-BXKDBHETSA-N -1 0 331.363 2.651 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000518138109 267166647 /nfs/dbraw/zinc/16/66/47/267166647.db2.gz HOLBHDCDKWTYCE-CYBMUJFWSA-N -1 0 331.372 2.676 20 30 EFEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000277737041 267247410 /nfs/dbraw/zinc/24/74/10/267247410.db2.gz PFDVFAVIQYKGGA-GWCFXTLKSA-N -1 0 334.363 2.955 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2cccc(C#N)c2)sc1C ZINC000492384175 268016555 /nfs/dbraw/zinc/01/65/55/268016555.db2.gz NOMXCUBXBCGQDO-VOTSOKGWSA-N -1 0 346.433 2.755 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000451068907 268071273 /nfs/dbraw/zinc/07/12/73/268071273.db2.gz JTKSPDLJHIRDSS-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000451070584 268071338 /nfs/dbraw/zinc/07/13/38/268071338.db2.gz OPKNREYJDCYGOL-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c1 ZINC000285186062 268098828 /nfs/dbraw/zinc/09/88/28/268098828.db2.gz VAERJTOMOWZUDY-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1 ZINC000174002524 268161697 /nfs/dbraw/zinc/16/16/97/268161697.db2.gz JXSFFWNNWULKMG-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cn1 ZINC000391521447 268208408 /nfs/dbraw/zinc/20/84/08/268208408.db2.gz NJDZKKPUNROAHF-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000195299182 268233982 /nfs/dbraw/zinc/23/39/82/268233982.db2.gz VZMAZXSIJIWWAV-MDZDMXLPSA-N -1 0 332.425 2.598 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cn1 ZINC000284944891 273912749 /nfs/dbraw/zinc/91/27/49/273912749.db2.gz BODCCAUHSOVTAR-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1Cl ZINC000285232366 273964860 /nfs/dbraw/zinc/96/48/60/273964860.db2.gz YJYOMBQCUNKWQF-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM C=CCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000275375891 277836589 /nfs/dbraw/zinc/83/65/89/277836589.db2.gz ZGDQYMLIZVYAGT-OAHLLOKOSA-N -1 0 325.430 2.821 20 30 EFEDRM CC(=O)Nc1ccc(C)c(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329700587 280824289 /nfs/dbraw/zinc/82/42/89/280824289.db2.gz ZXPQUUWBJGGYMB-AWEZNQCLSA-N -1 0 343.387 2.794 20 30 EFEDRM CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329052397 280824425 /nfs/dbraw/zinc/82/44/25/280824425.db2.gz AAUZEKBDVDNHBB-ZDUSSCGKSA-N -1 0 347.350 2.625 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)c1 ZINC000118145982 292892977 /nfs/dbraw/zinc/89/29/77/292892977.db2.gz FLOABZVQEVSCFT-MDZDMXLPSA-N -1 0 332.425 2.641 20 30 EFEDRM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125917820 293020780 /nfs/dbraw/zinc/02/07/80/293020780.db2.gz OGKNTKGVNGVRDB-CHWSQXEVSA-N -1 0 346.424 2.789 20 30 EFEDRM COCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128931508 293118959 /nfs/dbraw/zinc/11/89/59/293118959.db2.gz IJSZVOPGIYCWIP-UHFFFAOYSA-N -1 0 338.335 2.784 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(F)c1 ZINC000129900682 293146957 /nfs/dbraw/zinc/14/69/57/293146957.db2.gz CZRJNVSFIQKGDP-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM CCOc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1F ZINC000131700721 293205440 /nfs/dbraw/zinc/20/54/40/293205440.db2.gz JYGODQJXCWUBEL-UHFFFAOYSA-N -1 0 347.371 2.759 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(F)c1 ZINC000132928624 293242023 /nfs/dbraw/zinc/24/20/23/293242023.db2.gz ADOFYAFBXOMHCR-UHFFFAOYSA-N -1 0 336.319 2.667 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c(F)c1 ZINC000153589400 293383195 /nfs/dbraw/zinc/38/31/95/293383195.db2.gz ONHHATLQDMBYCR-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)CO2 ZINC000096993457 295256278 /nfs/dbraw/zinc/25/62/78/295256278.db2.gz OUUAMICGCDRFLX-WDZFZDKYSA-N -1 0 327.292 2.968 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000263297607 297344036 /nfs/dbraw/zinc/34/40/36/297344036.db2.gz ZSLMTQQRNKPNND-ZJUUUORDSA-N -1 0 331.322 2.932 20 30 EFEDRM C[C@@H]1Cc2sc(NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@@H](C)C1 ZINC000414088638 297507790 /nfs/dbraw/zinc/50/77/90/297507790.db2.gz JHOIFKVITMLJCP-QSFUFRPTSA-N -1 0 348.424 2.876 20 30 EFEDRM Cc1cc(N2CC[C@@](C)(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000263418688 301341332 /nfs/dbraw/zinc/34/13/32/301341332.db2.gz ORDRYOFYZXVHIX-LJQANCHMSA-N -1 0 334.379 2.969 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1/N=C(/[O-])Cc1cn2ccsc2n1 ZINC000330324495 303011498 /nfs/dbraw/zinc/01/14/98/303011498.db2.gz INBNGOVYIDSPMX-JSGCOSHPSA-N -1 0 345.428 2.549 20 30 EFEDRM N#C[C@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CCC[C@]12CCCCO2 ZINC000366181046 303171908 /nfs/dbraw/zinc/17/19/08/303171908.db2.gz HXUZAPYFSMYBRS-RHSMWYFYSA-N -1 0 336.338 2.738 20 30 EFEDRM N#Cc1cnc2ccccc2c1N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263542921 303213487 /nfs/dbraw/zinc/21/34/87/303213487.db2.gz DYXUXOAUMWQTFT-VXGBXAGGSA-N -1 0 335.285 2.806 20 30 EFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137214828 310668078 /nfs/dbraw/zinc/66/80/78/310668078.db2.gz WIPGCOREYBSAQV-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1 ZINC000161024001 310705131 /nfs/dbraw/zinc/70/51/31/310705131.db2.gz HHWYKIRAZGGPPO-CQSZACIVSA-N -1 0 344.392 2.527 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180779105 310803441 /nfs/dbraw/zinc/80/34/41/310803441.db2.gz PLDJJQZYRMGLIC-UHFFFAOYSA-N -1 0 347.714 2.843 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)c1 ZINC000255143054 310808689 /nfs/dbraw/zinc/80/86/89/310808689.db2.gz FLOABZVQEVSCFT-KTKRTIGZSA-N -1 0 332.425 2.641 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000320618374 311238008 /nfs/dbraw/zinc/23/80/08/311238008.db2.gz WERFOWSRBMAHLM-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000322112391 311239264 /nfs/dbraw/zinc/23/92/64/311239264.db2.gz JRBNKYYOAPXPHF-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cncc(Br)c1 ZINC000342415822 311724085 /nfs/dbraw/zinc/72/40/85/311724085.db2.gz MKHAPFKJXDRZBX-IWQZZHSRSA-N -1 0 330.141 2.979 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC000545999480 317947853 /nfs/dbraw/zinc/94/78/53/317947853.db2.gz QTXCSGYWZYDSOQ-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000547433856 318007175 /nfs/dbraw/zinc/00/71/75/318007175.db2.gz RKEILCYHKXFDPW-UHFFFAOYSA-N -1 0 345.355 2.988 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000547879823 318050934 /nfs/dbraw/zinc/05/09/34/318050934.db2.gz XVCCDYXJWGTFJT-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000548534335 318118452 /nfs/dbraw/zinc/11/84/52/318118452.db2.gz FEYQQRIETQHMIW-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CCCc1nc(C)c(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)o1 ZINC000553817132 318294114 /nfs/dbraw/zinc/29/41/14/318294114.db2.gz RFVALXKJKNUVEZ-UHFFFAOYSA-N -1 0 346.412 2.560 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000556799700 318410004 /nfs/dbraw/zinc/41/00/04/318410004.db2.gz QLDQZQIRTKKCSG-UHFFFAOYSA-N -1 0 347.444 2.795 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)ccc1Cl ZINC000560729024 318573234 /nfs/dbraw/zinc/57/32/34/318573234.db2.gz ZFWPIKCCFLGOEM-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Cl)c1O ZINC000565929896 319014980 /nfs/dbraw/zinc/01/49/80/319014980.db2.gz ROEOTTBHWQVBFW-YWEYNIOJSA-N -1 0 331.759 2.878 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])ccc1C#N ZINC000569308216 319367104 /nfs/dbraw/zinc/36/71/04/319367104.db2.gz IIOCBVFQHUMDBO-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000569440279 319380412 /nfs/dbraw/zinc/38/04/12/319380412.db2.gz VVTVNWKHAOFNCJ-LBPRGKRZSA-N -1 0 332.404 2.833 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C3CC3)ccn2)cc1C#N ZINC000577116704 320078764 /nfs/dbraw/zinc/07/87/64/320078764.db2.gz GVSRPSQYXGROLN-UHFFFAOYSA-N -1 0 326.381 2.905 20 30 EFEDRM CCSc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)s1 ZINC000577820507 320146289 /nfs/dbraw/zinc/14/62/89/320146289.db2.gz OJCCGKXPEOSZSC-UHFFFAOYSA-N -1 0 340.455 2.631 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)c1C#N ZINC000578039673 320168033 /nfs/dbraw/zinc/16/80/33/320168033.db2.gz WJNIXGLLPNHTJI-CYBMUJFWSA-N -1 0 347.378 2.799 20 30 EFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000181788037 323250667 /nfs/dbraw/zinc/25/06/67/323250667.db2.gz HRCOAIQIIYYLFJ-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1ccccc1C#N ZINC000391814819 323784407 /nfs/dbraw/zinc/78/44/07/323784407.db2.gz PTHSKECKPFUYJX-UHFFFAOYSA-N -1 0 344.392 2.537 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(Br)c2)s1 ZINC000610725204 450312931 /nfs/dbraw/zinc/31/29/31/450312931.db2.gz MQEFCXIFDZZBTA-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cn1 ZINC000092388848 462949652 /nfs/dbraw/zinc/94/96/52/462949652.db2.gz JCFSGJGRHLUYHJ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM O=C([O-])Cn1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000539573432 468368090 /nfs/dbraw/zinc/36/80/90/468368090.db2.gz YCKBBDZPMCOFOF-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM Cc1sc2[nH]c([C@H](C#N)C(=O)NC3CCCCC3)nc(=O)c2c1C ZINC000155445450 472551033 /nfs/dbraw/zinc/55/10/33/472551033.db2.gz DYFMUVBJCQLTCJ-LBPRGKRZSA-N -1 0 344.440 2.658 20 30 EFEDRM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000095460289 473209271 /nfs/dbraw/zinc/20/92/71/473209271.db2.gz GCMYILQYAYMBMW-UHFFFAOYSA-N -1 0 346.742 2.901 20 30 EFEDRM CCc1ccc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000124252144 473223354 /nfs/dbraw/zinc/22/33/54/473223354.db2.gz WKEYGURHAMTUPC-UHFFFAOYSA-N -1 0 342.392 2.939 20 30 EFEDRM C#CCN(C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000081597748 473228088 /nfs/dbraw/zinc/22/80/88/473228088.db2.gz YVUHCVRCIDYHCU-UHFFFAOYSA-N -1 0 327.500 2.713 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140969335 473249977 /nfs/dbraw/zinc/24/99/77/473249977.db2.gz DCADDNUBMBYVDA-UHFFFAOYSA-N -1 0 337.295 2.604 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000185000512 473296749 /nfs/dbraw/zinc/29/67/49/473296749.db2.gz PTLDJGKLOVCHTB-UHFFFAOYSA-N -1 0 338.429 2.725 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000610725315 469051872 /nfs/dbraw/zinc/05/18/72/469051872.db2.gz UWSYGUHMTRHEJJ-UHFFFAOYSA-N -1 0 347.343 2.975 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)ccc1OC(C)C ZINC000610725587 469051879 /nfs/dbraw/zinc/05/18/79/469051879.db2.gz JQJTZRQGCUXNSU-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000610725121 469052926 /nfs/dbraw/zinc/05/29/26/469052926.db2.gz GNOFFOBXICJHKM-UHFFFAOYSA-N -1 0 349.315 2.714 20 30 EFEDRM COc1ccccc1-c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1 ZINC000615431307 469239427 /nfs/dbraw/zinc/23/94/27/469239427.db2.gz ATFNWLPGNCOMIA-UHFFFAOYSA-N -1 0 334.335 2.915 20 30 EFEDRM C=CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190627931 473339897 /nfs/dbraw/zinc/33/98/97/473339897.db2.gz SATWLVJLRPWJBW-UHFFFAOYSA-N -1 0 328.590 2.706 20 30 EFEDRM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162583513 473358664 /nfs/dbraw/zinc/35/86/64/473358664.db2.gz MHVXOEFEMDCVMN-SSDOTTSWSA-N -1 0 340.189 2.970 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(F)c1 ZINC000177355946 473363261 /nfs/dbraw/zinc/36/32/61/473363261.db2.gz UISQKRCTRPPSMS-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000619751098 479873941 /nfs/dbraw/zinc/87/39/41/479873941.db2.gz SIMPKZBPFLXRGS-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000344832584 474795428 /nfs/dbraw/zinc/79/54/28/474795428.db2.gz OSXBXWRSFSYZIA-UWVGGRQHSA-N -1 0 343.246 2.788 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)[n-]1 ZINC000619789308 479884758 /nfs/dbraw/zinc/88/47/58/479884758.db2.gz MVZQPPCYWPYTFG-ACHSLPGTSA-N -1 0 335.411 2.656 20 30 EFEDRM N#Cc1ccc(CNC(=O)N=c2ccc(C3CC3)n[n-]2)cc1Cl ZINC000619789805 479885318 /nfs/dbraw/zinc/88/53/18/479885318.db2.gz QFEKKAMWPBUKKS-UHFFFAOYSA-N -1 0 327.775 2.623 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)n[nH]2)o1 ZINC000446644653 476901197 /nfs/dbraw/zinc/90/11/97/476901197.db2.gz ODXJGMOBUQMIJV-UHFFFAOYSA-N -1 0 328.353 2.651 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000416958814 477387569 /nfs/dbraw/zinc/38/75/69/477387569.db2.gz PFEPMTSVMGIWIF-ZDUSSCGKSA-N -1 0 338.820 2.878 20 30 EFEDRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613205025 479913251 /nfs/dbraw/zinc/91/32/51/479913251.db2.gz KVNZKLKSNGGTBK-WBVHZDCISA-N -1 0 337.427 2.795 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000010514789 471737550 /nfs/dbraw/zinc/73/75/50/471737550.db2.gz HUPFRDJHMVREEX-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM C=CCc1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c(OC)c1 ZINC000013168491 471818785 /nfs/dbraw/zinc/81/87/85/471818785.db2.gz YQFDAEJXSWAHGX-UHFFFAOYSA-N -1 0 347.411 2.706 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C(F)(F)F ZINC000613286947 479953069 /nfs/dbraw/zinc/95/30/69/479953069.db2.gz ZNQUTKIZMMEHHR-SECBINFHSA-N -1 0 347.300 2.816 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000016740685 471948614 /nfs/dbraw/zinc/94/86/14/471948614.db2.gz NOPPJNVGKXKZSN-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 in-vivo EFEDRM Cc1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000067600405 472056864 /nfs/dbraw/zinc/05/68/64/472056864.db2.gz YCSNTIGTMNTPIE-NSHDSACASA-N -1 0 345.336 2.621 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000054428393 472088523 /nfs/dbraw/zinc/08/85/23/472088523.db2.gz OUKGGIZBFQRTHH-LBPRGKRZSA-N -1 0 328.397 2.506 20 30 EFEDRM COc1cc(F)ccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000025312921 472089424 /nfs/dbraw/zinc/08/94/24/472089424.db2.gz CMCLNLTVWDYQDR-UHFFFAOYSA-N -1 0 333.344 2.781 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1C(C)(C)C ZINC000054727200 472112267 /nfs/dbraw/zinc/11/22/67/472112267.db2.gz XGOFYRGOTRAORM-ZDUSSCGKSA-N -1 0 340.431 2.755 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[n-]c1C#N ZINC000026275930 472130870 /nfs/dbraw/zinc/13/08/70/472130870.db2.gz URGCEGBBGRNCKL-UHFFFAOYSA-N -1 0 330.351 2.765 20 30 EFEDRM N#Cc1nc(NC(=O)c2csc(-c3cccs3)n2)[n-]c1C#N ZINC000026270485 472131012 /nfs/dbraw/zinc/13/10/12/472131012.db2.gz ZENRISVVNJVQIQ-UHFFFAOYSA-N -1 0 326.366 2.590 20 30 EFEDRM Cc1nn(C)c2sc(/C([O-])=N/c3nc(-c4ccccn4)n[nH]3)cc12 ZINC000068237643 472155358 /nfs/dbraw/zinc/15/53/58/472155358.db2.gz XTAISBKUWXYMAE-UHFFFAOYSA-N -1 0 339.384 2.760 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000075555692 472156581 /nfs/dbraw/zinc/15/65/81/472156581.db2.gz UNARFSYQESCKRD-SECBINFHSA-N -1 0 329.747 2.521 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000068334339 472171382 /nfs/dbraw/zinc/17/13/82/472171382.db2.gz MLSALKAKNJEGLJ-UHFFFAOYSA-N -1 0 327.384 2.759 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)C[C@H](C)C#N)n1 ZINC000084386657 472174973 /nfs/dbraw/zinc/17/49/73/472174973.db2.gz NDCZATBMNWKRPO-CYBMUJFWSA-N -1 0 326.400 2.762 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)C[C@@H](C)C#N)n1 ZINC000084386651 472175019 /nfs/dbraw/zinc/17/50/19/472175019.db2.gz NDCZATBMNWKRPO-ZDUSSCGKSA-N -1 0 326.400 2.762 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1C ZINC000075830739 472201621 /nfs/dbraw/zinc/20/16/21/472201621.db2.gz LYOPEJOMOFNALL-ZDUSSCGKSA-N -1 0 348.362 2.933 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1C ZINC000075830738 472202045 /nfs/dbraw/zinc/20/20/45/472202045.db2.gz LYOPEJOMOFNALL-CYBMUJFWSA-N -1 0 348.362 2.933 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000055663733 472221575 /nfs/dbraw/zinc/22/15/75/472221575.db2.gz BCEFJSZZRVVXON-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000044427699 472307336 /nfs/dbraw/zinc/30/73/36/472307336.db2.gz JCEPYMORPJEVMH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C)c1 ZINC000069282751 472316061 /nfs/dbraw/zinc/31/60/61/472316061.db2.gz KSUYQQSNOVLBIE-KGLIPLIRSA-N -1 0 341.429 2.533 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCO2)c(C)c1 ZINC000069282755 472316328 /nfs/dbraw/zinc/31/63/28/472316328.db2.gz KSUYQQSNOVLBIE-KBPBESRZSA-N -1 0 341.429 2.533 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(C#N)ccc1F ZINC000030205015 472318564 /nfs/dbraw/zinc/31/85/64/472318564.db2.gz KGMJGALWEFEBBC-UHFFFAOYSA-N -1 0 328.372 2.627 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2sc(C)nc2C)c1 ZINC000045098335 472373065 /nfs/dbraw/zinc/37/30/65/472373065.db2.gz XMAUXEPKFVXVHF-UHFFFAOYSA-N -1 0 338.410 2.656 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000069677347 472396170 /nfs/dbraw/zinc/39/61/70/472396170.db2.gz RDJXGDXPXCBTHF-UHFFFAOYSA-N -1 0 347.396 2.574 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCCOc2ccccc2)cc1C#N ZINC000031916049 472401258 /nfs/dbraw/zinc/40/12/58/472401258.db2.gz TWYLQWZPWVPOEN-UHFFFAOYSA-N -1 0 343.408 2.580 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(F)c1 ZINC000032085292 472414507 /nfs/dbraw/zinc/41/45/07/472414507.db2.gz OXJVCBVWSJJCLP-UHFFFAOYSA-N -1 0 347.371 2.651 20 30 EFEDRM CC(C)(C)c1ncc(C=CC(=O)[N-]S(=O)(=O)N2CCCC2)s1 ZINC000076877415 472419317 /nfs/dbraw/zinc/41/93/17/472419317.db2.gz MHVVNRZFYNYYMY-VOTSOKGWSA-N -1 0 343.474 2.751 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccc(C)cc2)cn1 ZINC000097049061 472425414 /nfs/dbraw/zinc/42/54/14/472425414.db2.gz WLIHNNBCLBOXSU-CYBMUJFWSA-N -1 0 335.429 2.735 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)nc1C ZINC000069831716 472446344 /nfs/dbraw/zinc/44/63/44/472446344.db2.gz HAHMHGLHZPJAEF-LBPRGKRZSA-N -1 0 329.381 2.822 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)c1 ZINC000089490530 472450777 /nfs/dbraw/zinc/45/07/77/472450777.db2.gz NCEFUESWEIOZFV-VOTSOKGWSA-N -1 0 344.396 2.694 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cncc(OC(C)C)c1 ZINC000089492468 472450822 /nfs/dbraw/zinc/45/08/22/472450822.db2.gz LVVVOANDVFEYCW-UHFFFAOYSA-N -1 0 334.397 2.871 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)nc1 ZINC000089492478 472451281 /nfs/dbraw/zinc/45/12/81/472451281.db2.gz SKNFTTPTMDLARW-GQCTYLIASA-N -1 0 341.776 2.698 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2cc(C)no2)cc1C#N ZINC000077212577 472476520 /nfs/dbraw/zinc/47/65/20/472476520.db2.gz WMWWRGOTWPVIGK-LBPRGKRZSA-N -1 0 344.396 2.655 20 30 EFEDRM CCc1nc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)sc1C ZINC000077223012 472479477 /nfs/dbraw/zinc/47/94/77/472479477.db2.gz TYKHXUHZYNAXOV-UHFFFAOYSA-N -1 0 334.426 2.960 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3cccnc3)c2)C(=O)O1 ZINC000128833848 472501921 /nfs/dbraw/zinc/50/19/21/472501921.db2.gz YWAXQNBITZKLPB-IHHMQQGQSA-N -1 0 333.343 2.977 20 30 EFEDRM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058078194 472503107 /nfs/dbraw/zinc/50/31/07/472503107.db2.gz KZAOVPAUBLZQPR-UHFFFAOYSA-N -1 0 348.465 2.910 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cc2ccccc2oc1=O ZINC000058072611 472503796 /nfs/dbraw/zinc/50/37/96/472503796.db2.gz BVZMMSNHDPYAFU-UHFFFAOYSA-N -1 0 335.381 2.760 20 30 EFEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)cc1 ZINC000070776368 472509894 /nfs/dbraw/zinc/50/98/94/472509894.db2.gz JQWVOSJOXYJMDL-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)COC2CCCCC2)c1 ZINC000058187718 472514567 /nfs/dbraw/zinc/51/45/67/472514567.db2.gz ZXVKBCDAXQFUSP-UHFFFAOYSA-N -1 0 327.402 2.690 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000058209412 472517483 /nfs/dbraw/zinc/51/74/83/472517483.db2.gz WDOIYOUKTXZKHZ-UHFFFAOYSA-N -1 0 342.373 2.829 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(F)c1 ZINC000129178813 472527517 /nfs/dbraw/zinc/52/75/17/472527517.db2.gz LWBRKOHEMIIZBS-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000102115965 472565186 /nfs/dbraw/zinc/56/51/86/472565186.db2.gz IIYVFNHEGLZIDW-LLVKDONJSA-N -1 0 336.307 2.970 20 30 EFEDRM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058421350 472566884 /nfs/dbraw/zinc/56/68/84/472566884.db2.gz OFCBODRJXMPBHQ-CBAPKCEASA-N -1 0 332.303 2.878 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000090166886 472605412 /nfs/dbraw/zinc/60/54/12/472605412.db2.gz ZCBNUTNGPFTSAB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CN(CC#N)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000103472770 472634993 /nfs/dbraw/zinc/63/49/93/472634993.db2.gz PBVVISICMFXVSG-UHFFFAOYSA-N -1 0 328.372 2.746 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CC(C)(C)O3)C(=O)O1 ZINC000103717084 472643167 /nfs/dbraw/zinc/64/31/67/472643167.db2.gz QVPDJIOJLLZGSY-UKINESCASA-N -1 0 326.348 2.628 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccnc2ccccc12 ZINC000077957807 472643324 /nfs/dbraw/zinc/64/33/24/472643324.db2.gz VDWRJOXHGKQQPG-ABZNLYFFSA-N -1 0 334.397 2.569 20 30 EFEDRM N#Cc1cccc(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000104142481 472657579 /nfs/dbraw/zinc/65/75/79/472657579.db2.gz QYGIEKOMGZUCOP-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000072311688 472661987 /nfs/dbraw/zinc/66/19/87/472661987.db2.gz MSKXDIUYCVTMCJ-UHFFFAOYSA-N -1 0 340.364 2.947 20 30 EFEDRM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000131637139 472682910 /nfs/dbraw/zinc/68/29/10/472682910.db2.gz FDUFDAQAXQOINR-UHFFFAOYSA-N -1 0 348.380 2.668 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)Cc2cccs2)cc1C#N ZINC000078601593 472740838 /nfs/dbraw/zinc/74/08/38/472740838.db2.gz YVEQDUKAOOKNMH-SECBINFHSA-N -1 0 333.438 2.803 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000105389513 472751790 /nfs/dbraw/zinc/75/17/90/472751790.db2.gz BLAPAEXJEUPJBO-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM CCc1nc(CN(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)cs1 ZINC000063112062 472756117 /nfs/dbraw/zinc/75/61/17/472756117.db2.gz NKVFZCURRWYAJO-UHFFFAOYSA-N -1 0 348.453 2.672 20 30 EFEDRM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(C)C ZINC000105640311 472766043 /nfs/dbraw/zinc/76/60/43/472766043.db2.gz XNGAUPBHRUPSQO-JJEJIETFSA-N -1 0 344.363 2.711 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cn1 ZINC000047992477 472795316 /nfs/dbraw/zinc/79/53/16/472795316.db2.gz QMGVYTRFUGJWIZ-UHFFFAOYSA-N -1 0 343.433 2.682 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2sccc2-n2cnnn2)n1 ZINC000078984923 472801211 /nfs/dbraw/zinc/80/12/11/472801211.db2.gz IOSPVAIQYSJMDO-VIFPVBQESA-N -1 0 344.425 2.794 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000073353674 472801433 /nfs/dbraw/zinc/80/14/33/472801433.db2.gz OMVOJUYBCDIHRB-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000063878490 472824174 /nfs/dbraw/zinc/82/41/74/472824174.db2.gz QHVANEYYDDLUJN-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccncc2)cc1Cl ZINC000079152152 472826685 /nfs/dbraw/zinc/82/66/85/472826685.db2.gz LODPEUXMFRTTQR-DAFODLJHSA-N -1 0 347.783 2.965 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(C)c1 ZINC000064478959 472857659 /nfs/dbraw/zinc/85/76/59/472857659.db2.gz ZQRJXGVLUYYIFA-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048405318 472873294 /nfs/dbraw/zinc/87/32/94/472873294.db2.gz MJDMYISDVNOTPE-UHFFFAOYSA-N -1 0 342.417 2.637 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000048425703 472876413 /nfs/dbraw/zinc/87/64/13/472876413.db2.gz HEJPSVOISNCWQL-LLVKDONJSA-N -1 0 342.417 2.553 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1C ZINC000048461548 472879998 /nfs/dbraw/zinc/87/99/98/472879998.db2.gz OTTOGNQECWINAX-UHFFFAOYSA-N -1 0 347.392 2.768 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)c1 ZINC000048472504 472880352 /nfs/dbraw/zinc/88/03/52/472880352.db2.gz SLGPIPPRQQRGLT-UHFFFAOYSA-N -1 0 334.397 2.864 20 30 EFEDRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000048471869 472880425 /nfs/dbraw/zinc/88/04/25/472880425.db2.gz UTODRAMWTRVXGP-UHFFFAOYSA-N -1 0 340.445 2.645 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1OC ZINC000157993898 472881286 /nfs/dbraw/zinc/88/12/86/472881286.db2.gz ZBLVGUQBFNAJKP-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(C(=O)[N-]S(C)(=O)=O)cc(Cl)c1OCC(C)C ZINC000048479708 472881374 /nfs/dbraw/zinc/88/13/74/472881374.db2.gz GBZDXAFKVVRKBU-UHFFFAOYSA-N -1 0 335.809 2.648 20 30 EFEDRM Cc1noc(C)c1CSc1ccccc1C(=O)[N-]S(C)(=O)=O ZINC000048479240 472881764 /nfs/dbraw/zinc/88/17/64/472881764.db2.gz AMGDQXYTDXNPCE-UHFFFAOYSA-N -1 0 340.426 2.848 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(C#N)c2)c(C)c1 ZINC000048476576 472881840 /nfs/dbraw/zinc/88/18/40/472881840.db2.gz QIHKBCXVZRIUBY-UHFFFAOYSA-N -1 0 344.392 2.899 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000064925944 472886347 /nfs/dbraw/zinc/88/63/47/472886347.db2.gz UTPMUTQSSODTGB-RMKNXTFCSA-N -1 0 328.368 2.787 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CCCCC1 ZINC000048642535 472895216 /nfs/dbraw/zinc/89/52/16/472895216.db2.gz PVXPAPTWAFFINS-UHFFFAOYSA-N -1 0 336.413 2.797 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCc2c(F)cccc2F)cc1C#N ZINC000079710079 472912237 /nfs/dbraw/zinc/91/22/37/472912237.db2.gz HIWRLPGBBZYBJV-UHFFFAOYSA-N -1 0 349.362 2.631 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049391889 472946604 /nfs/dbraw/zinc/94/66/04/472946604.db2.gz GVBPPSVTFCZBEK-OAHLLOKOSA-N -1 0 344.378 2.996 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391532 472947521 /nfs/dbraw/zinc/94/75/21/472947521.db2.gz HAJJSYTZWVRQKU-HNNXBMFYSA-N -1 0 344.378 2.996 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000122042249 472968648 /nfs/dbraw/zinc/96/86/48/472968648.db2.gz QLDVZLXAMVZBSW-CQSZACIVSA-N -1 0 340.431 2.800 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cccc3c2OCO3)c1 ZINC000065593589 472985022 /nfs/dbraw/zinc/98/50/22/472985022.db2.gz YELRKPFHSAKWAC-BQYQJAHWSA-N -1 0 326.304 2.775 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000107928992 472990845 /nfs/dbraw/zinc/99/08/45/472990845.db2.gz XHRYTSVQBLDZHP-UHFFFAOYSA-N -1 0 325.364 2.922 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000122397846 473009483 /nfs/dbraw/zinc/00/94/83/473009483.db2.gz DUZBNXLATFFWCJ-FNORWQNLSA-N -1 0 345.355 2.656 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OCC(N)=O)n1 ZINC000080454031 473034227 /nfs/dbraw/zinc/03/42/27/473034227.db2.gz ALALNNOQOFGDER-LBPRGKRZSA-N -1 0 343.408 2.621 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC#N)CC2CC2)n1 ZINC000080480034 473037951 /nfs/dbraw/zinc/03/79/51/473037951.db2.gz CWFFSZYMUCBAPR-UHFFFAOYSA-N -1 0 342.374 2.791 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)cc1 ZINC000066249455 473063195 /nfs/dbraw/zinc/06/31/95/473063195.db2.gz QDPMUXCQHQDSBE-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#Cc1cc(NC(=O)c2ncccc2[O-])ccc1OCC(F)(F)F ZINC000123031332 473089235 /nfs/dbraw/zinc/08/92/35/473089235.db2.gz JWMKLGQVQINWLC-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)cc2)n1 ZINC000123219585 473112756 /nfs/dbraw/zinc/11/27/56/473112756.db2.gz AHRINZJAKBFKSN-UHFFFAOYSA-N -1 0 336.392 2.591 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1snc(Cl)c1C#N ZINC000160567684 473142924 /nfs/dbraw/zinc/14/29/24/473142924.db2.gz ZFKSGYVMJCLKRH-UHFFFAOYSA-N -1 0 337.817 2.603 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c(F)c1 ZINC000123615415 473165020 /nfs/dbraw/zinc/16/50/20/473165020.db2.gz DQAZBSVNSUDJSQ-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000160716323 473166288 /nfs/dbraw/zinc/16/62/88/473166288.db2.gz AEADLUSZPXJULS-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000123826111 473190016 /nfs/dbraw/zinc/19/00/16/473190016.db2.gz XWWXOKAPUJKYSV-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000160910281 473190547 /nfs/dbraw/zinc/19/05/47/473190547.db2.gz YTSMRKMEBJWEHP-UHFFFAOYSA-N -1 0 349.387 2.845 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1F ZINC000075491660 473191725 /nfs/dbraw/zinc/19/17/25/473191725.db2.gz OENJOGUPBCFKAD-UHFFFAOYSA-N -1 0 339.286 2.566 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1C ZINC000137273481 473200954 /nfs/dbraw/zinc/20/09/54/473200954.db2.gz JRQFSFAPSIGYAM-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137264168 473201032 /nfs/dbraw/zinc/20/10/32/473201032.db2.gz AGCKSPULAGLAAM-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C)o1 ZINC000095429690 473202174 /nfs/dbraw/zinc/20/21/74/473202174.db2.gz AJVAJDGLWWDSCU-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM Cn1c2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2oc1=O ZINC000190885248 473419251 /nfs/dbraw/zinc/41/92/51/473419251.db2.gz UBZDZMXWBCQMSM-GFCCVEGCSA-N -1 0 344.330 2.565 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000185621627 473470270 /nfs/dbraw/zinc/47/02/70/473470270.db2.gz HPOKARQOWMXRTC-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000185638162 473474425 /nfs/dbraw/zinc/47/44/25/473474425.db2.gz ZRQVDERTOBFMHU-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114674047 473492324 /nfs/dbraw/zinc/49/23/24/473492324.db2.gz WZGJEIWQQJUEFG-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1-c1ncco1 ZINC000164704840 473496735 /nfs/dbraw/zinc/49/67/35/473496735.db2.gz PSLZAVXLMMPAFF-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172183414 473543532 /nfs/dbraw/zinc/54/35/32/473543532.db2.gz FXMZOYPBEPRFOA-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c1 ZINC000170605026 473562606 /nfs/dbraw/zinc/56/26/06/473562606.db2.gz UIZUGAVXHMLNQT-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2o1 ZINC000172349415 473587996 /nfs/dbraw/zinc/58/79/96/473587996.db2.gz XJYKXHAIHWHSOG-GFCCVEGCSA-N -1 0 329.319 2.899 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000179015806 473612229 /nfs/dbraw/zinc/61/22/29/473612229.db2.gz JCKSGFJLCWMUHG-UHFFFAOYSA-N -1 0 334.397 2.527 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C#N)c2C)c1C ZINC000179029403 473615119 /nfs/dbraw/zinc/61/51/19/473615119.db2.gz WLDDZEZTNJNXIU-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC(F)F ZINC000186213984 473618851 /nfs/dbraw/zinc/61/88/51/473618851.db2.gz KDRALKQGMLXAAL-QMMMGPOBSA-N -1 0 332.266 2.653 20 30 EFEDRM CCO[C@H](C)c1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000153457135 473625753 /nfs/dbraw/zinc/62/57/53/473625753.db2.gz KKPKDUWJKVMWJK-LLVKDONJSA-N -1 0 347.419 2.871 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000172668116 473669663 /nfs/dbraw/zinc/66/96/63/473669663.db2.gz NWNWYRGDGORRJQ-LBPRGKRZSA-N -1 0 328.397 2.759 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)n1 ZINC000186607808 473698278 /nfs/dbraw/zinc/69/82/78/473698278.db2.gz ZMARGZXKHOPBGA-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186664651 473718828 /nfs/dbraw/zinc/71/88/28/473718828.db2.gz AEHUOYGEUJQGOK-UHFFFAOYSA-N -1 0 332.306 2.839 20 30 EFEDRM C[C@]1(NC(=O)CSCc2ccc(C#N)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000262777702 473722369 /nfs/dbraw/zinc/72/23/69/473722369.db2.gz LXASGTZFVHDUQL-QAPCUYQASA-N -1 0 346.452 2.941 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000262800962 473725486 /nfs/dbraw/zinc/72/54/86/473725486.db2.gz CPOBWVBNOJMNRX-UHFFFAOYSA-N -1 0 332.425 2.695 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(OC)c1OC ZINC000263258482 473746223 /nfs/dbraw/zinc/74/62/23/473746223.db2.gz ULDSHKTXQNXTAC-GXTWGEPZSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC000263286381 473747807 /nfs/dbraw/zinc/74/78/07/473747807.db2.gz YBQJDAGRBWTVJN-GXTWGEPZSA-N -1 0 333.384 2.585 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000179916932 473754123 /nfs/dbraw/zinc/75/41/23/473754123.db2.gz XMJGZUWZGLIHFW-CYBMUJFWSA-N -1 0 337.335 2.738 20 30 EFEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nnc2n1CCCCC2 ZINC000193261704 473778396 /nfs/dbraw/zinc/77/83/96/473778396.db2.gz MPANMFPQBBWAOR-AWEZNQCLSA-N -1 0 346.394 2.885 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193361734 473783454 /nfs/dbraw/zinc/78/34/54/473783454.db2.gz LEUDCUGBUSUURX-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193356155 473784213 /nfs/dbraw/zinc/78/42/13/473784213.db2.gz MORBHMABIRPOQL-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1 ZINC000187006266 473799922 /nfs/dbraw/zinc/79/99/22/473799922.db2.gz CCNVHLRQKYDBNL-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM CC(C)(CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000281667460 473801698 /nfs/dbraw/zinc/80/16/98/473801698.db2.gz CZUDYLQVPRFKGB-UHFFFAOYSA-N -1 0 330.262 2.896 20 30 EFEDRM CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000187556123 473884129 /nfs/dbraw/zinc/88/41/29/473884129.db2.gz IRBKYCSPYGSDFU-NSHDSACASA-N -1 0 340.339 2.790 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cccc(C(=O)OC)c1OC(C)C ZINC000281994344 473911046 /nfs/dbraw/zinc/91/10/46/473911046.db2.gz MYWOYRADYBDLNH-UHFFFAOYSA-N -1 0 327.402 2.578 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000194623324 473927615 /nfs/dbraw/zinc/92/76/15/473927615.db2.gz UCRRTCXPJUCAHY-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM CC(C)(C)c1csc(CNS(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000288449893 473946545 /nfs/dbraw/zinc/94/65/45/473946545.db2.gz VCJCCPFKBCUCOP-UHFFFAOYSA-N -1 0 349.481 2.932 20 30 EFEDRM COc1ccc(-n2cc([O-])c(C(=O)NC3(C#N)CCCCC3)n2)cc1 ZINC000180729634 473952365 /nfs/dbraw/zinc/95/23/65/473952365.db2.gz IHHBVSKQPLTVFQ-UHFFFAOYSA-N -1 0 340.383 2.543 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000194805354 473955542 /nfs/dbraw/zinc/95/55/42/473955542.db2.gz WPWMRQMVJBGDFS-UHFFFAOYSA-N -1 0 340.792 2.738 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(CCC(C)C)o1 ZINC000194879294 473969523 /nfs/dbraw/zinc/96/95/23/473969523.db2.gz YUMNTHBIQHTYBC-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1[N+](=O)[O-] ZINC000181144561 474009304 /nfs/dbraw/zinc/00/93/04/474009304.db2.gz XDVXKLRERONTON-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccnn1C ZINC000264507162 474017939 /nfs/dbraw/zinc/01/79/39/474017939.db2.gz RRSPDTSUBCUZAP-LLVKDONJSA-N -1 0 336.442 2.615 20 30 EFEDRM Cc1ccc(NC(=O)[C@@H](C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000181292613 474023433 /nfs/dbraw/zinc/02/34/33/474023433.db2.gz AZYGLVIRCWFMBE-JTQLQIEISA-N -1 0 338.289 2.694 20 30 EFEDRM Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188287102 474046597 /nfs/dbraw/zinc/04/65/97/474046597.db2.gz NYXBCPMAOIIZTN-UHFFFAOYSA-N -1 0 337.379 2.661 20 30 EFEDRM Cn1ccnc1COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188327172 474060227 /nfs/dbraw/zinc/06/02/27/474060227.db2.gz NQFSONMHHUHWKZ-UHFFFAOYSA-N -1 0 348.362 2.829 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1F ZINC000188570628 474130566 /nfs/dbraw/zinc/13/05/66/474130566.db2.gz TVVSQVOFMWNGRW-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000220092146 474152511 /nfs/dbraw/zinc/15/25/11/474152511.db2.gz BGIOBCWPPWYKIG-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)nn1CCC#N ZINC000271013685 474368594 /nfs/dbraw/zinc/36/85/94/474368594.db2.gz DYLFMLIUNZCSBM-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nn1CCC#N ZINC000271036176 474378610 /nfs/dbraw/zinc/37/86/10/474378610.db2.gz JENCPPHGXDGXGH-UHFFFAOYSA-N -1 0 344.440 2.785 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000183450159 474381296 /nfs/dbraw/zinc/38/12/96/474381296.db2.gz NSIPBKIFWNBUOZ-QWHCGFSZSA-N -1 0 329.381 2.504 20 30 EFEDRM C[C@H](NC(=O)N=c1ncn(Cc2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000608840783 480099811 /nfs/dbraw/zinc/09/98/11/480099811.db2.gz CJQXKHGITZKLGG-AWEZNQCLSA-N -1 0 346.394 2.503 20 30 EFEDRM N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1nc2ccccc2o1 ZINC000183516364 474389526 /nfs/dbraw/zinc/38/95/26/474389526.db2.gz UVWSESDPFDYEOQ-KGLIPLIRSA-N -1 0 349.346 2.881 20 30 EFEDRM C=CCn1c(C2CC2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000283399660 474393496 /nfs/dbraw/zinc/39/34/96/474393496.db2.gz FHDWOLHLRACIQR-UHFFFAOYSA-N -1 0 342.428 2.688 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183809453 474431746 /nfs/dbraw/zinc/43/17/46/474431746.db2.gz FPFVUJCURJFCGM-UHFFFAOYSA-N -1 0 330.296 2.714 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000238111023 474535434 /nfs/dbraw/zinc/53/54/34/474535434.db2.gz FSBHTTAMRNCMKB-RMKNXTFCSA-N -1 0 336.347 2.868 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n(CCC#N)n1 ZINC000609128670 480115226 /nfs/dbraw/zinc/11/52/26/480115226.db2.gz NWHYXMCNPAFPPD-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271640825 474583089 /nfs/dbraw/zinc/58/30/89/474583089.db2.gz FTJXUCXXGUAXCZ-UHFFFAOYSA-N -1 0 333.413 2.621 20 30 EFEDRM COCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184797802 474610194 /nfs/dbraw/zinc/61/01/94/474610194.db2.gz CKVXOCKBWIRFOD-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cn1 ZINC000272519692 474615677 /nfs/dbraw/zinc/61/56/77/474615677.db2.gz XMRFDPFSVFFYCV-LBPRGKRZSA-N -1 0 334.401 2.556 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ncccc2C)C1=O ZINC000267361814 474658117 /nfs/dbraw/zinc/65/81/17/474658117.db2.gz AFWYFRUIYDBUNU-GOSISDBHSA-N -1 0 346.431 2.706 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ncccc2C)C1=O ZINC000267361818 474658623 /nfs/dbraw/zinc/65/86/23/474658623.db2.gz AFWYFRUIYDBUNU-SFHVURJKSA-N -1 0 346.431 2.706 20 30 EFEDRM Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340814559 474687333 /nfs/dbraw/zinc/68/73/33/474687333.db2.gz IFDVYURWDCPQFY-UHFFFAOYSA-N -1 0 348.409 2.567 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCO[C@H](c3cccnc3)C2)s1 ZINC000629086672 480120608 /nfs/dbraw/zinc/12/06/08/480120608.db2.gz QETBHAJOQYDGBQ-STQMWFEESA-N -1 0 334.470 2.965 20 30 EFEDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340829229 474696415 /nfs/dbraw/zinc/69/64/15/474696415.db2.gz RBTOEVMQCJEQDH-UHFFFAOYSA-N -1 0 339.760 2.564 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000291862276 474722894 /nfs/dbraw/zinc/72/28/94/474722894.db2.gz KDUFKUZNSLCTAQ-ZDUSSCGKSA-N -1 0 331.821 2.741 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000291864004 474724541 /nfs/dbraw/zinc/72/45/41/474724541.db2.gz KKIMMIMNBHIPRL-UHFFFAOYSA-N -1 0 341.433 2.976 20 30 EFEDRM C=CCCOCCCCC(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000344598074 474768890 /nfs/dbraw/zinc/76/88/90/474768890.db2.gz CUWZWWHCCFPWHK-UHFFFAOYSA-N -1 0 332.429 2.724 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2nc(=O)c3sccc3[n-]2)n1 ZINC000253604644 474771289 /nfs/dbraw/zinc/77/12/89/474771289.db2.gz LYFCROKICTZLLE-UHFFFAOYSA-N -1 0 329.410 2.968 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc4nsnc4c3)nc21 ZINC000344625186 474773836 /nfs/dbraw/zinc/77/38/36/474773836.db2.gz LQQGAGGULWPNNH-SNVBAGLBSA-N -1 0 334.364 2.761 20 30 EFEDRM Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000255275216 474825704 /nfs/dbraw/zinc/82/57/04/474825704.db2.gz KHQRWUOOOJQNCL-HJWRWDBZSA-N -1 0 340.404 2.526 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)o1 ZINC000340974528 474837181 /nfs/dbraw/zinc/83/71/81/474837181.db2.gz KSMTWAPDYIDUOE-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)o1 ZINC000340982260 474845013 /nfs/dbraw/zinc/84/50/13/474845013.db2.gz QCRALVKTQKOPQQ-UHFFFAOYSA-N -1 0 328.296 2.596 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)o1 ZINC000340999897 474866831 /nfs/dbraw/zinc/86/68/31/474866831.db2.gz VSJXEWXOWTWCDY-UHFFFAOYSA-N -1 0 330.365 2.935 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc([C@H](C)CC)cc1)C(=O)[O-] ZINC000315936138 474874271 /nfs/dbraw/zinc/87/42/71/474874271.db2.gz RUSGZYMUAIWDMZ-IUODEOHRSA-N -1 0 325.430 2.898 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc([C@@H](C)CC)cc1)C(=O)[O-] ZINC000315936142 474875244 /nfs/dbraw/zinc/87/52/44/474875244.db2.gz RUSGZYMUAIWDMZ-WFASDCNBSA-N -1 0 325.430 2.898 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)[O-] ZINC000316192367 474878234 /nfs/dbraw/zinc/87/82/34/474878234.db2.gz XXYGYYYUUYPZEE-GFCCVEGCSA-N -1 0 341.205 2.668 20 30 EFEDRM CC#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000341018133 474885074 /nfs/dbraw/zinc/88/50/74/474885074.db2.gz AMNRZOGMYVPNRT-UHFFFAOYSA-N -1 0 348.449 2.644 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000320405286 474912022 /nfs/dbraw/zinc/91/20/22/474912022.db2.gz AZWXMYXDNDYHFZ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000339094976 474923602 /nfs/dbraw/zinc/92/36/02/474923602.db2.gz AKUHPTBMDLFGJH-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#CCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273527344 474945507 /nfs/dbraw/zinc/94/55/07/474945507.db2.gz RIIKUCOROCGUIR-UHFFFAOYSA-N -1 0 338.289 2.630 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000323964679 474958601 /nfs/dbraw/zinc/95/86/01/474958601.db2.gz HGKSMIBRKPWZFU-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])ccc1C#N ZINC000324044832 474960802 /nfs/dbraw/zinc/96/08/02/474960802.db2.gz FLJRRVVUUYOWOP-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2C[C@]23CCCc2ccccc23)[n-]1 ZINC000345183626 474969807 /nfs/dbraw/zinc/96/98/07/474969807.db2.gz CPGIERNBNUCKLZ-XLIONFOSSA-N -1 0 334.423 2.990 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000324949151 474979714 /nfs/dbraw/zinc/97/97/14/474979714.db2.gz TUOHYVNPSOIXOP-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000328594378 475035216 /nfs/dbraw/zinc/03/52/16/475035216.db2.gz GOMRJQSHLLQZSL-JKSUJKDBSA-N -1 0 346.408 2.680 20 30 EFEDRM CC(C)[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nncn1C ZINC000285685573 475036755 /nfs/dbraw/zinc/03/67/55/475036755.db2.gz ZHTFYPIKELHCLC-VOMFFSSUSA-N -1 0 337.767 2.899 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC=C(C)C3)cc2[n-]c1=S ZINC000280633984 475039948 /nfs/dbraw/zinc/03/99/48/475039948.db2.gz HOZKKOZABASYPS-UHFFFAOYSA-N -1 0 341.436 2.663 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000280812464 475050529 /nfs/dbraw/zinc/05/05/29/475050529.db2.gz MIKGHVQHTMAKEI-KOMYPQRHSA-N -1 0 345.395 2.643 20 30 EFEDRM COCCOCc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000345275084 475051116 /nfs/dbraw/zinc/05/11/16/475051116.db2.gz UHEJGCJRZDNYIF-VURMDHGXSA-N -1 0 338.363 2.985 20 30 EFEDRM C=CCC(C)(C)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000293752048 475051710 /nfs/dbraw/zinc/05/17/10/475051710.db2.gz KJZNKAOKVIDRJS-UHFFFAOYSA-N -1 0 331.441 2.554 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCN(c3nccs3)CC2)c1 ZINC000280914435 475055335 /nfs/dbraw/zinc/05/53/35/475055335.db2.gz DPXBYAPRMZBKEF-LICLKQGHSA-N -1 0 332.385 2.845 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(C)CCCC3)cc2[n-]c1=S ZINC000280916579 475056489 /nfs/dbraw/zinc/05/64/89/475056489.db2.gz XCKYPZXWDQSXGU-UHFFFAOYSA-N -1 0 343.452 2.934 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[n-]n2c1nccc2=O ZINC000339241999 475072831 /nfs/dbraw/zinc/07/28/31/475072831.db2.gz YNJJANHUHPEJNW-UHFFFAOYSA-N -1 0 348.815 2.566 20 30 EFEDRM CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(C#N)o1 ZINC000286720957 475078392 /nfs/dbraw/zinc/07/83/92/475078392.db2.gz BQOKBIOJGCQXQS-AWEZNQCLSA-N -1 0 332.381 2.516 20 30 EFEDRM O=S1(=O)CCC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000287218358 475098053 /nfs/dbraw/zinc/09/80/53/475098053.db2.gz NBOWOJNTHHRZRX-UHDDOIDHSA-N -1 0 336.240 2.943 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1noc(Cc2ccc(F)cc2)n1 ZINC000295205983 475111293 /nfs/dbraw/zinc/11/12/93/475111293.db2.gz OJAQPGRRPIQUBM-UHFFFAOYSA-N -1 0 325.365 2.507 20 30 EFEDRM Cc1csc2ncc(C([O-])=Nc3c(C)noc3C3CC3)c(=O)n12 ZINC000329794878 475135229 /nfs/dbraw/zinc/13/52/29/475135229.db2.gz GGVKVUZILZRMSU-UHFFFAOYSA-N -1 0 330.369 2.875 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cs1 ZINC000345387393 475148126 /nfs/dbraw/zinc/14/81/26/475148126.db2.gz YLRWOYSIHCZQHA-JTQLQIEISA-N -1 0 326.381 2.964 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)nn(CC)c2C)n1 ZINC000339359908 475162397 /nfs/dbraw/zinc/16/23/97/475162397.db2.gz MQPXUORZANZOSP-LLVKDONJSA-N -1 0 346.412 2.643 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s[n-]1 ZINC000330020598 475184861 /nfs/dbraw/zinc/18/48/61/475184861.db2.gz WSAKYUJKSZWEJP-NSHDSACASA-N -1 0 341.506 2.756 20 30 EFEDRM Cc1cc(N=C([O-])[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cn(C)c1=O ZINC000330192809 475209425 /nfs/dbraw/zinc/20/94/25/475209425.db2.gz NXEZJSKPEDDWSD-LSDHHAIUSA-N -1 0 340.379 2.857 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1C ZINC000345556669 475263577 /nfs/dbraw/zinc/26/35/77/475263577.db2.gz GEEQCQIPCQIJGZ-JTQLQIEISA-N -1 0 331.397 2.882 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)s1 ZINC000330695284 475268133 /nfs/dbraw/zinc/26/81/33/475268133.db2.gz JFFMCASRFQTTEY-NEPJUHHUSA-N -1 0 326.466 2.832 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000609394165 480156983 /nfs/dbraw/zinc/15/69/83/480156983.db2.gz FTDSYUCEGMAJAD-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)s[n-]1 ZINC000330863099 475284037 /nfs/dbraw/zinc/28/40/37/475284037.db2.gz SXORUTAQSRZLFF-NEPJUHHUSA-N -1 0 326.466 2.832 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cnc3ccccc3c2)n1 ZINC000337737603 475284131 /nfs/dbraw/zinc/28/41/31/475284131.db2.gz BEPJKOGMCCYVBB-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncnc3cccc([N+](=O)[O-])c32)s1 ZINC000347413358 475307054 /nfs/dbraw/zinc/30/70/54/475307054.db2.gz UMDZMSWCJMBHOW-UHFFFAOYSA-N -1 0 346.397 2.561 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)cc1C#N ZINC000331118609 475313406 /nfs/dbraw/zinc/31/34/06/475313406.db2.gz NJWCHWUDFQOFPZ-ZIAGYGMSSA-N -1 0 349.456 2.704 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@H](CCO)C2CCCCC2)s[n-]1 ZINC000331181711 475319011 /nfs/dbraw/zinc/31/90/11/475319011.db2.gz RTNRZPVYQJTFSF-GFCCVEGCSA-N -1 0 340.493 2.915 20 30 EFEDRM CCOC(=O)C(C)(C)ONC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000296454067 475323063 /nfs/dbraw/zinc/32/30/63/475323063.db2.gz LUDWEAKFBGFTPT-UHFFFAOYSA-N -1 0 349.387 2.740 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@@H]1C#N ZINC000331219534 475323733 /nfs/dbraw/zinc/32/37/33/475323733.db2.gz SURBYPNIUIYFCA-OAHLLOKOSA-N -1 0 342.374 2.871 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347730454 475338079 /nfs/dbraw/zinc/33/80/79/475338079.db2.gz ISHIBRIMCCBNKP-SNVBAGLBSA-N -1 0 341.396 2.997 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N=c3nc(-c4cccnc4)[n-]s3)CC2)c1 ZINC000339600117 475338147 /nfs/dbraw/zinc/33/81/47/475338147.db2.gz IBTWSFALBMBDCD-UHFFFAOYSA-N -1 0 347.403 2.564 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000337850980 475376697 /nfs/dbraw/zinc/37/66/97/475376697.db2.gz JHMRUFWNOWIFAI-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM CCc1oncc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000337854100 475379209 /nfs/dbraw/zinc/37/92/09/475379209.db2.gz KKYMYUMCDIWGRZ-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc21 ZINC000358173340 475460819 /nfs/dbraw/zinc/46/08/19/475460819.db2.gz WPWAFKDMBZSCGD-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COCC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000337958416 475460925 /nfs/dbraw/zinc/46/09/25/475460925.db2.gz AOKUBCICWVSENB-ZDUSSCGKSA-N -1 0 346.399 2.566 20 30 EFEDRM Cc1cc2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)c(C)n2n1 ZINC000361530519 475524069 /nfs/dbraw/zinc/52/40/69/475524069.db2.gz KEOVJUHIYJBXPH-CYBMUJFWSA-N -1 0 342.362 2.779 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000345983480 475550147 /nfs/dbraw/zinc/55/01/47/475550147.db2.gz RUCRMGFEHDQJFW-ZWNOBZJWSA-N -1 0 343.326 2.511 20 30 EFEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(C#N)nc3)sc2C1 ZINC000332238430 475569319 /nfs/dbraw/zinc/56/93/19/475569319.db2.gz QRZUNXDFYFMVHN-UHFFFAOYSA-N -1 0 348.453 2.725 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1ccc(C(F)(F)F)cn1 ZINC000342270120 475580656 /nfs/dbraw/zinc/58/06/56/475580656.db2.gz DXDNNSCLZGJUNT-MRVPVSSYSA-N -1 0 339.298 2.751 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C)c(C)nc2C)n1 ZINC000342331461 475585230 /nfs/dbraw/zinc/58/52/30/475585230.db2.gz CBGQYLVJFKIFPH-NSHDSACASA-N -1 0 344.396 2.525 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000342348690 475586293 /nfs/dbraw/zinc/58/62/93/475586293.db2.gz SHBFRCQBDIKDIE-SNVBAGLBSA-N -1 0 326.381 2.964 20 30 EFEDRM Cc1nnc(Sc2n[n-]c(=NCc3ccco3)s2)c(C#N)c1C ZINC000352746828 475587195 /nfs/dbraw/zinc/58/71/95/475587195.db2.gz BUFNPFILMYEVFW-UHFFFAOYSA-N -1 0 344.425 2.595 20 30 EFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000342437247 475599297 /nfs/dbraw/zinc/59/92/97/475599297.db2.gz IYVKKGYHMLVFOA-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000332369728 475616479 /nfs/dbraw/zinc/61/64/79/475616479.db2.gz WNCDRIRUSGBRIE-YPMHNXCESA-N -1 0 349.456 2.536 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000339952270 475637093 /nfs/dbraw/zinc/63/70/93/475637093.db2.gz QIPAVVZUPICTCF-KPZWWZAWSA-N -1 0 342.374 2.919 20 30 EFEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000348424943 475658909 /nfs/dbraw/zinc/65/89/09/475658909.db2.gz SMGIDINZOISYRL-UHFFFAOYSA-N -1 0 348.359 2.791 20 30 EFEDRM N#Cc1cccc(NC(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)c1 ZINC000338191150 475662617 /nfs/dbraw/zinc/66/26/17/475662617.db2.gz LWPDLKAKYPDFNZ-UHFFFAOYSA-N -1 0 337.335 2.614 20 30 EFEDRM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nc2ccccc2o1 ZINC000353030440 475683200 /nfs/dbraw/zinc/68/32/00/475683200.db2.gz SPFSWCCARVMLEJ-ZDUSSCGKSA-N -1 0 329.319 2.899 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000332645343 475698841 /nfs/dbraw/zinc/69/88/41/475698841.db2.gz IPISVPGGVCXEGH-XIKOKIGWSA-N -1 0 342.374 2.919 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c(F)c1 ZINC000358494178 475723258 /nfs/dbraw/zinc/72/32/58/475723258.db2.gz KHVRUHMUCNXYLA-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c1 ZINC000355302908 475810904 /nfs/dbraw/zinc/81/09/04/475810904.db2.gz DLFCHBVNUMIAAY-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnn2C(C)C)n1 ZINC000361864696 475821684 /nfs/dbraw/zinc/82/16/84/475821684.db2.gz CYHIBHHOJJSYAD-SNVBAGLBSA-N -1 0 332.385 2.587 20 30 EFEDRM N#Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)ccc1F ZINC000361876303 475830385 /nfs/dbraw/zinc/83/03/85/475830385.db2.gz DTOOAXVEBGNQIA-UHFFFAOYSA-N -1 0 334.310 2.904 20 30 EFEDRM Cc1nc(C(F)(F)F)sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000361914405 475862331 /nfs/dbraw/zinc/86/23/31/475862331.db2.gz PRAVQZZBAKVWIA-UHFFFAOYSA-N -1 0 343.334 2.794 20 30 EFEDRM C[C@H]1CC(CCNS(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000338424230 475891586 /nfs/dbraw/zinc/89/15/86/475891586.db2.gz MVQXLFCWNAGENK-RYUDHWBXSA-N -1 0 340.420 2.569 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000361951715 475892801 /nfs/dbraw/zinc/89/28/01/475892801.db2.gz KLFXVXAUCXPATQ-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(NCCCc3n[nH]c(=O)[n-]3)c2c1 ZINC000338484895 475948166 /nfs/dbraw/zinc/94/81/66/475948166.db2.gz NROZMSGQZBNATG-UHFFFAOYSA-N -1 0 342.790 2.937 20 30 EFEDRM CCn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000340328768 475948644 /nfs/dbraw/zinc/94/86/44/475948644.db2.gz ZXCQKXHMVYUKOL-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncccc2CC)n1 ZINC000346928151 475969121 /nfs/dbraw/zinc/96/91/21/475969121.db2.gz XYJNZCMEFMSLLG-LLVKDONJSA-N -1 0 329.381 2.767 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)onc1C(F)(F)F ZINC000358950222 476064522 /nfs/dbraw/zinc/06/45/22/476064522.db2.gz HESOLYVLYGKXBI-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccsc2)sc1SCC#N ZINC000350147237 476069252 /nfs/dbraw/zinc/06/92/52/476069252.db2.gz ODZNWAKTUFWBDF-UHFFFAOYSA-N -1 0 331.469 2.930 20 30 EFEDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000299636368 476145547 /nfs/dbraw/zinc/14/55/47/476145547.db2.gz UGHIMFKBJPLDQP-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)s1 ZINC000336865794 476148394 /nfs/dbraw/zinc/14/83/94/476148394.db2.gz MUAWHNUZTQCQPI-UHFFFAOYSA-N -1 0 344.320 2.742 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000336871786 476154084 /nfs/dbraw/zinc/15/40/84/476154084.db2.gz IJAMACSTNBXAAZ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000336873367 476155092 /nfs/dbraw/zinc/15/50/92/476155092.db2.gz SLRMGUSSMXECTM-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1C#N ZINC000336873666 476155561 /nfs/dbraw/zinc/15/55/61/476155561.db2.gz UNXZDHZWNHTGCT-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COc1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)cc1C#N ZINC000340679825 476201177 /nfs/dbraw/zinc/20/11/77/476201177.db2.gz NWXNSNNGQKBMOY-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357074456 476208484 /nfs/dbraw/zinc/20/84/84/476208484.db2.gz MMDPUYNUHCZTON-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)n1 ZINC000340741244 476244965 /nfs/dbraw/zinc/24/49/65/476244965.db2.gz OUEAOWVSPQDPQN-UHFFFAOYSA-N -1 0 346.746 2.529 20 30 EFEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cncc(C#N)c3)c2)n1 ZINC000357142665 476260130 /nfs/dbraw/zinc/26/01/30/476260130.db2.gz BNPXBPJDYHTOKI-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000357157587 476269065 /nfs/dbraw/zinc/26/90/65/476269065.db2.gz NWBIWTPNYPKSQV-UHFFFAOYSA-N -1 0 345.384 2.674 20 30 EFEDRM C=CCN=c1[n-]nc(SCC(=O)c2cc(C)ccc2OC)s1 ZINC000353785219 476271037 /nfs/dbraw/zinc/27/10/37/476271037.db2.gz HYCJSJFJPLUQJM-UHFFFAOYSA-N -1 0 335.454 2.850 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000357164155 476271398 /nfs/dbraw/zinc/27/13/98/476271398.db2.gz LLIBNPVVKVMKLV-HZMBPMFUSA-N -1 0 348.765 2.521 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000362519675 476294437 /nfs/dbraw/zinc/29/44/37/476294437.db2.gz NEDLAAYGRASWRP-RFAUZJTJSA-N -1 0 349.456 2.586 20 30 EFEDRM C=CCn1c(C(=O)NC(CC)CC)n[n-]c1=Nc1cccc(OC)c1 ZINC000350730790 476295055 /nfs/dbraw/zinc/29/50/55/476295055.db2.gz WABNXJVIRJJKMB-UHFFFAOYSA-N -1 0 343.431 2.557 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cnn(C(C)C)c2-c2ccccc2)c1C#N ZINC000357235651 476299319 /nfs/dbraw/zinc/29/93/19/476299319.db2.gz WINLNIXPDJFXPW-UHFFFAOYSA-N -1 0 334.383 2.708 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)n1 ZINC000360338956 476299316 /nfs/dbraw/zinc/29/93/16/476299316.db2.gz WJQJFQJZDNXLQO-GFCCVEGCSA-N -1 0 332.429 2.908 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c1C#N ZINC000357240245 476301682 /nfs/dbraw/zinc/30/16/82/476301682.db2.gz IEVIDFMCPLGFHC-UHFFFAOYSA-N -1 0 345.334 2.666 20 30 EFEDRM CCCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1-c1cccc(C)c1 ZINC000357247579 476304416 /nfs/dbraw/zinc/30/44/16/476304416.db2.gz UZELYOPNBWCEQP-UHFFFAOYSA-N -1 0 348.410 2.711 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccccc2CC#N)ccc1C(=O)[O-] ZINC000350870503 476308460 /nfs/dbraw/zinc/30/84/60/476308460.db2.gz NAOZAVOJBZNTRP-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM C[C@H](N=c1ccc(C(N)=O)n[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682683 476339628 /nfs/dbraw/zinc/33/96/28/476339628.db2.gz VNWNBMHEPPOJPR-ZDUSSCGKSA-N -1 0 343.390 2.709 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c1 ZINC000357374920 476349549 /nfs/dbraw/zinc/34/95/49/476349549.db2.gz UBCAPSMPTUNVNN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000362689907 476351657 /nfs/dbraw/zinc/35/16/57/476351657.db2.gz DMDOVARCVBZFSF-UGSOOPFHSA-N -1 0 338.363 2.515 20 30 EFEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357385065 476352346 /nfs/dbraw/zinc/35/23/46/476352346.db2.gz IHMYPMGLSMANTO-GFCCVEGCSA-N -1 0 333.417 2.558 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cc(Cl)cc3c2OCC3)[n-]1 ZINC000360785903 476385211 /nfs/dbraw/zinc/38/52/11/476385211.db2.gz ITHFAZZJSRNOSL-UHFFFAOYSA-N -1 0 344.802 2.772 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000357458065 476397285 /nfs/dbraw/zinc/39/72/85/476397285.db2.gz XIRIHHXJRIRBAW-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C#N)cc1N(C)C ZINC000357481488 476408360 /nfs/dbraw/zinc/40/83/60/476408360.db2.gz PJWHIPFEHYOBGY-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1F ZINC000357481355 476408909 /nfs/dbraw/zinc/40/89/09/476408909.db2.gz ZJOACUGPXHXMPQ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CCc1ccc(S(=O)(=O)NCC(C)(C)CCC#N)cc1C(=O)[O-] ZINC000352180784 476529876 /nfs/dbraw/zinc/52/98/76/476529876.db2.gz SXYCGHWPFZMBFT-UHFFFAOYSA-N -1 0 338.429 2.555 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC000352190858 476537425 /nfs/dbraw/zinc/53/74/25/476537425.db2.gz FKQMZTLVKLYBPT-UHFFFAOYSA-N -1 0 331.393 2.685 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000352190430 476537493 /nfs/dbraw/zinc/53/74/93/476537493.db2.gz CUZWBTUKYQWHFO-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000352205654 476550894 /nfs/dbraw/zinc/55/08/94/476550894.db2.gz HIDAZOOSXSPADQ-UHFFFAOYSA-N -1 0 328.412 2.692 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)o1 ZINC000361118461 476613698 /nfs/dbraw/zinc/61/36/98/476613698.db2.gz BOIYRKKEQJBJMM-UHFFFAOYSA-N -1 0 346.286 2.893 20 30 EFEDRM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000361120427 476615146 /nfs/dbraw/zinc/61/51/46/476615146.db2.gz RAYBNZMAPYXVJB-UHFFFAOYSA-N -1 0 347.396 2.855 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)o1 ZINC000361132193 476623881 /nfs/dbraw/zinc/62/38/81/476623881.db2.gz ODGQCWJOQYYACX-UHFFFAOYSA-N -1 0 329.337 2.971 20 30 EFEDRM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1ccncn1 ZINC000354460006 476674384 /nfs/dbraw/zinc/67/43/84/476674384.db2.gz DPZGZTHXHYTRFA-CQSZACIVSA-N -1 0 337.770 2.865 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CCCC1 ZINC000422645234 476728926 /nfs/dbraw/zinc/72/89/26/476728926.db2.gz SRUKLHHGXVRLCQ-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM COCCn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000430586709 476871427 /nfs/dbraw/zinc/87/14/27/476871427.db2.gz XDDWDIFSPYMSDV-NSHDSACASA-N -1 0 332.429 2.774 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3cccnc23)s1 ZINC000430602324 476877984 /nfs/dbraw/zinc/87/79/84/476877984.db2.gz KZPKORGJDSEURA-JTQLQIEISA-N -1 0 325.397 2.973 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)n[nH]2)o1 ZINC000446619457 476896091 /nfs/dbraw/zinc/89/60/91/476896091.db2.gz FZOGCFHJQNJZCS-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM CS[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000415260123 476910395 /nfs/dbraw/zinc/91/03/95/476910395.db2.gz WFVQJKBROCURPJ-AWEZNQCLSA-N -1 0 328.441 2.974 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c3c(nn2C(C)C)CCC3)ccc1C#N ZINC000446770061 476919019 /nfs/dbraw/zinc/91/90/19/476919019.db2.gz SVRQAHCZRZXTEX-UHFFFAOYSA-N -1 0 344.440 2.934 20 30 EFEDRM COc1ccc(CN=c2[n-]c(Cc3ccc(F)cc3)no2)cc1C#N ZINC000446976488 476939522 /nfs/dbraw/zinc/93/95/22/476939522.db2.gz HUDRNYLNXRDTSH-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000447155602 476959178 /nfs/dbraw/zinc/95/91/78/476959178.db2.gz GNCOAPIOXPDNLJ-SNVBAGLBSA-N -1 0 329.805 2.767 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)cc(OC)c1C ZINC000431163122 476987676 /nfs/dbraw/zinc/98/76/76/476987676.db2.gz MBLOHJMIFJIFJC-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000431313373 477008361 /nfs/dbraw/zinc/00/83/61/477008361.db2.gz OUBTYLBJWKMKDN-QMMMGPOBSA-N -1 0 333.273 2.914 20 30 EFEDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3C#N)cccc21 ZINC000447787003 477052975 /nfs/dbraw/zinc/05/29/75/477052975.db2.gz IKWNPFPTNBILFE-OAHLLOKOSA-N -1 0 344.392 2.829 20 30 EFEDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc21 ZINC000447787095 477053007 /nfs/dbraw/zinc/05/30/07/477053007.db2.gz LXNRWTJYRAOYHO-INIZCTEOSA-N -1 0 344.392 2.829 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)c3ncc(C#N)cc3Cl)[nH][n-]2)o1 ZINC000447802202 477060848 /nfs/dbraw/zinc/06/08/48/477060848.db2.gz IIGPUBIQAAJJIG-UHFFFAOYSA-N -1 0 327.731 2.572 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c1C#N ZINC000431712039 477079832 /nfs/dbraw/zinc/07/98/32/477079832.db2.gz QFVSYGBSJIABOA-NEPJUHHUSA-N -1 0 345.200 2.516 20 30 EFEDRM N#CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000431998468 477134439 /nfs/dbraw/zinc/13/44/39/477134439.db2.gz MVYSWCZPTOJJMU-UHFFFAOYSA-N -1 0 344.317 2.758 20 30 EFEDRM N#CC1(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCC1 ZINC000416349285 477139370 /nfs/dbraw/zinc/13/93/70/477139370.db2.gz XYXCSNNYZIRZCL-UHFFFAOYSA-N -1 0 330.775 2.655 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480697 477184139 /nfs/dbraw/zinc/18/41/39/477184139.db2.gz SIGQCAUONNOHHN-XHDPSFHLSA-N -1 0 342.848 2.639 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCOCC2)o1 ZINC000376274565 477262553 /nfs/dbraw/zinc/26/25/53/477262553.db2.gz OUBPNHXMYZLROO-KRWDZBQOSA-N -1 0 346.408 2.597 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435756405 477365005 /nfs/dbraw/zinc/36/50/05/477365005.db2.gz QYRZEFZDHDAUHU-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1C#N ZINC000435761941 477366644 /nfs/dbraw/zinc/36/66/44/477366644.db2.gz QWYAXZZODUWOGK-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416938658 477378620 /nfs/dbraw/zinc/37/86/20/477378620.db2.gz LMIUEWGGSJAJBC-GFCCVEGCSA-N -1 0 346.836 2.799 20 30 EFEDRM CC(C)C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000424378945 477382693 /nfs/dbraw/zinc/38/26/93/477382693.db2.gz UMTOZXXBJDPHSP-LBPRGKRZSA-N -1 0 342.355 2.595 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@H](C)COC ZINC000416951065 477384055 /nfs/dbraw/zinc/38/40/55/477384055.db2.gz FTEKFHSXDVJUHB-ZYHUDNBSSA-N -1 0 346.836 2.798 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000416954518 477385159 /nfs/dbraw/zinc/38/51/59/477385159.db2.gz LLZGCSAYGRHVOV-OAHLLOKOSA-N -1 0 332.429 2.841 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)C(=O)[O-] ZINC000424390574 477387087 /nfs/dbraw/zinc/38/70/87/477387087.db2.gz OFKSGIZOLMRGDN-ZDUSSCGKSA-N -1 0 348.403 2.633 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-] ZINC000424391577 477388184 /nfs/dbraw/zinc/38/81/84/477388184.db2.gz QRMMCIKKTFJCTC-ZDUSSCGKSA-N -1 0 334.420 2.983 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1C#N ZINC000435898969 477389821 /nfs/dbraw/zinc/38/98/21/477389821.db2.gz WKCGTTYLEVKOEA-UHFFFAOYSA-N -1 0 349.174 2.837 20 30 EFEDRM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3CC#N)cn21 ZINC000416967930 477393632 /nfs/dbraw/zinc/39/36/32/477393632.db2.gz XVHZGTIZZKQZIT-LBPRGKRZSA-N -1 0 330.413 2.647 20 30 EFEDRM CC(C)(CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000424407213 477394232 /nfs/dbraw/zinc/39/42/32/477394232.db2.gz SATFOVXJIDSXNY-HOTGVXAUSA-N -1 0 343.427 2.969 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424446387 477410650 /nfs/dbraw/zinc/41/06/50/477410650.db2.gz GBKOAHPCXDOCBC-OAHLLOKOSA-N -1 0 334.416 2.798 20 30 EFEDRM CC(C)c1n[n-]c(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000436417939 477476625 /nfs/dbraw/zinc/47/66/25/477476625.db2.gz GRBNXHXJWKJNGG-UHFFFAOYSA-N -1 0 339.380 2.862 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000455053805 477482004 /nfs/dbraw/zinc/48/20/04/477482004.db2.gz OWJWGUZJGYDIFD-SREVYHEPSA-N -1 0 331.401 2.737 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751975 477579564 /nfs/dbraw/zinc/57/95/64/477579564.db2.gz PHBLHPJLISKEGS-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000436935628 477641534 /nfs/dbraw/zinc/64/15/34/477641534.db2.gz WRRDKTLMNHQMAJ-UHFFFAOYSA-N -1 0 328.343 2.692 20 30 EFEDRM C=CCN=c1[n-]nc(SCC(=O)CC[C@@H]2CCCCO2)s1 ZINC000450608386 477652685 /nfs/dbraw/zinc/65/26/85/477652685.db2.gz JANBOKZGHUFHTP-LBPRGKRZSA-N -1 0 327.475 2.568 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000377124995 477655605 /nfs/dbraw/zinc/65/56/05/477655605.db2.gz ZYNLRJMHENTDFP-OXJNMPFZSA-N -1 0 332.407 2.813 20 30 EFEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccc1[N+](=O)[O-] ZINC000420269633 477655690 /nfs/dbraw/zinc/65/56/90/477655690.db2.gz ILPGGNMDSOSGGM-LBPRGKRZSA-N -1 0 326.312 2.662 20 30 EFEDRM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000377139874 477662587 /nfs/dbraw/zinc/66/25/87/477662587.db2.gz JXFSLTYKYYTJNP-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc(-c2ccccc2)cs1 ZINC000437392662 477702996 /nfs/dbraw/zinc/70/29/96/477702996.db2.gz OKYKUUMKXGNHAU-NSHDSACASA-N -1 0 337.360 2.992 20 30 EFEDRM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000437601493 477726309 /nfs/dbraw/zinc/72/63/09/477726309.db2.gz JPSZAFFIBIRSDE-LBPRGKRZSA-N -1 0 325.368 2.963 20 30 EFEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455768669 477747327 /nfs/dbraw/zinc/74/73/27/477747327.db2.gz WMYZGDXJMOGMCZ-UHFFFAOYSA-N -1 0 332.429 2.969 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](N=c3[n-]nc(C(F)F)o3)C2)c(F)c1 ZINC000367911562 477750235 /nfs/dbraw/zinc/75/02/35/477750235.db2.gz PIYYASCVIHRBAU-SNVBAGLBSA-N -1 0 337.305 2.521 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427267981 477772130 /nfs/dbraw/zinc/77/21/30/477772130.db2.gz UAOHWIOBFZZMSD-UHFFFAOYSA-N -1 0 344.371 2.802 20 30 EFEDRM CCCn1nccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450970550 477780025 /nfs/dbraw/zinc/78/00/25/477780025.db2.gz NLBVRENXYAMCCZ-UHFFFAOYSA-N -1 0 338.820 2.813 20 30 EFEDRM C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455907182 477781598 /nfs/dbraw/zinc/78/15/98/477781598.db2.gz AFWYBIVJDBWHKY-KDOFPFPSSA-N -1 0 336.391 2.814 20 30 EFEDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)c1C ZINC000451004409 477789267 /nfs/dbraw/zinc/78/92/67/477789267.db2.gz NFZCXUOEABVMQC-UHFFFAOYSA-N -1 0 338.820 2.801 20 30 EFEDRM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000427980268 477797558 /nfs/dbraw/zinc/79/75/58/477797558.db2.gz ARIOWIOIMLMLTG-UHFFFAOYSA-N -1 0 338.367 2.966 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000451097154 477822773 /nfs/dbraw/zinc/82/27/73/477822773.db2.gz OMGVVXQCVGTIFR-UHFFFAOYSA-N -1 0 329.425 2.782 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c(C)[nH]c2ccccc21)C(=O)[O-] ZINC000515786911 477861007 /nfs/dbraw/zinc/86/10/07/477861007.db2.gz HQDDYNXFCWHOPS-INIZCTEOSA-N -1 0 329.400 2.737 20 30 EFEDRM CC(C)(CC#N)CNC(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000459397103 477887267 /nfs/dbraw/zinc/88/72/67/477887267.db2.gz JJAIUKKKRHVOHR-UHFFFAOYSA-N -1 0 347.419 2.751 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000558589086 477891397 /nfs/dbraw/zinc/89/13/97/477891397.db2.gz XGAUKQWDQKEGSS-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C[C@@H]1CC(=NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])NO1 ZINC000494044643 477910346 /nfs/dbraw/zinc/91/03/46/477910346.db2.gz RXOSGKJBFONJEA-SECBINFHSA-N -1 0 335.360 2.591 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000516236953 477910626 /nfs/dbraw/zinc/91/06/26/477910626.db2.gz RECSWBJTIYDIMP-ZDUSSCGKSA-N -1 0 347.371 2.729 20 30 EFEDRM Cc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)[O-] ZINC000531768125 477910831 /nfs/dbraw/zinc/91/08/31/477910831.db2.gz AUPRWKPLRXCPOW-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000439247560 477948655 /nfs/dbraw/zinc/94/86/55/477948655.db2.gz NFXCKGGRQAXTKL-UHFFFAOYSA-N -1 0 341.314 2.818 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000439252907 477949597 /nfs/dbraw/zinc/94/95/97/477949597.db2.gz ZDTAONIJHOBSQU-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM C=CCC1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCCC1 ZINC000456485079 477951958 /nfs/dbraw/zinc/95/19/58/477951958.db2.gz JYAHHSYROITIEE-UHFFFAOYSA-N -1 0 342.399 2.611 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000516574067 477953753 /nfs/dbraw/zinc/95/37/53/477953753.db2.gz KDBXKYRHYCMESG-VIFPVBQESA-N -1 0 344.820 2.517 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H](CN=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000494298923 477961443 /nfs/dbraw/zinc/96/14/43/477961443.db2.gz KXMWAWJIFSOEOO-LBPRGKRZSA-N -1 0 348.403 2.825 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccccn2)cc1C#N ZINC000516619928 477961613 /nfs/dbraw/zinc/96/16/13/477961613.db2.gz KSHKAVJTQFJMDU-AWEZNQCLSA-N -1 0 340.408 2.753 20 30 EFEDRM CC#CCCNC(=O)N=c1nc(Sc2ccc(C)cc2)[n-]s1 ZINC000516689887 477974601 /nfs/dbraw/zinc/97/46/01/477974601.db2.gz MBKAUSSQPJOADP-UHFFFAOYSA-N -1 0 332.454 2.955 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000532874483 478000561 /nfs/dbraw/zinc/00/05/61/478000561.db2.gz RAVOPLHLCKPOFD-CYBMUJFWSA-N -1 0 333.384 2.587 20 30 EFEDRM CC(C)(C)CC[C@@](C)(NS(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000560076803 478017312 /nfs/dbraw/zinc/01/73/12/478017312.db2.gz DLXUIDFNOUMYRS-MRXNPFEDSA-N -1 0 338.429 2.506 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)s1 ZINC000487279555 478035022 /nfs/dbraw/zinc/03/50/22/478035022.db2.gz KCCKXVRVLHWHES-UHFFFAOYSA-N -1 0 326.406 2.736 20 30 EFEDRM N#C[C@@H](C(=O)c1cnc(OCc2ccccc2)cn1)c1ccccn1 ZINC000429097435 478057646 /nfs/dbraw/zinc/05/76/46/478057646.db2.gz HAVGMRLXNXUXRU-OAHLLOKOSA-N -1 0 330.347 2.941 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2c1cccc2C)C(=O)[O-] ZINC000560488136 478094575 /nfs/dbraw/zinc/09/45/75/478094575.db2.gz RZBOCUCPICMTNL-HNNXBMFYSA-N -1 0 329.400 2.737 20 30 EFEDRM N#CCCn1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000429277497 478097924 /nfs/dbraw/zinc/09/79/24/478097924.db2.gz GVNACKBWBWSWDD-OAHLLOKOSA-N -1 0 342.362 2.744 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000494989157 478098359 /nfs/dbraw/zinc/09/83/59/478098359.db2.gz CHCNIZOEXUOCCL-UHFFFAOYSA-N -1 0 348.403 2.969 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000517573411 478104505 /nfs/dbraw/zinc/10/45/05/478104505.db2.gz SVBODBCCMRBKCD-LLVKDONJSA-N -1 0 331.821 2.521 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440410384 478114587 /nfs/dbraw/zinc/11/45/87/478114587.db2.gz OTFLKWMHOZXHIU-CQSZACIVSA-N -1 0 344.374 2.843 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000533992342 478121870 /nfs/dbraw/zinc/12/18/70/478121870.db2.gz JFYKKEHBPVIEJV-SNVBAGLBSA-N -1 0 341.396 2.668 20 30 EFEDRM Cc1ccc(C2(CNS(=O)(=O)c3cccnc3C#N)CC2)c(C)c1 ZINC000451638820 478136964 /nfs/dbraw/zinc/13/69/64/478136964.db2.gz GELHVPFWKKPJMH-UHFFFAOYSA-N -1 0 341.436 2.580 20 30 EFEDRM C=CCn1cccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000488383823 478143811 /nfs/dbraw/zinc/14/38/11/478143811.db2.gz YYELTJPDJNQFKT-UHFFFAOYSA-N -1 0 328.397 2.657 20 30 EFEDRM CCCCOC1CCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000440855723 478170196 /nfs/dbraw/zinc/17/01/96/478170196.db2.gz GQRWURWNZJJJPE-UHFFFAOYSA-N -1 0 349.456 2.802 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000518885839 478196699 /nfs/dbraw/zinc/19/66/99/478196699.db2.gz BAEOLPSPAXEFRX-AHIWAGSCSA-N -1 0 326.437 2.689 20 30 EFEDRM N#Cc1ccccc1/C=C1\CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000535146510 478200511 /nfs/dbraw/zinc/20/05/11/478200511.db2.gz DVSCTIGMBJHKFE-UKTHLTGXSA-N -1 0 343.342 2.911 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000562429705 478247745 /nfs/dbraw/zinc/24/77/45/478247745.db2.gz FDCGNGQBNUVSOP-GOEBONIOSA-N -1 0 348.443 2.698 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000495650655 478256052 /nfs/dbraw/zinc/25/60/52/478256052.db2.gz JHXLENQXIAOTMN-GFCCVEGCSA-N -1 0 334.376 2.577 20 30 EFEDRM C[C@@]1(C#N)CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000590755205 478320209 /nfs/dbraw/zinc/32/02/09/478320209.db2.gz XULPTRBKYYZVEH-ZDUSSCGKSA-N -1 0 348.346 2.725 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495796844 478327878 /nfs/dbraw/zinc/32/78/78/478327878.db2.gz YTOYGVNBAPEWKU-CYBMUJFWSA-N -1 0 348.403 2.967 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000580521663 478363892 /nfs/dbraw/zinc/36/38/92/478363892.db2.gz MLRNPEBBJYEQJL-ZDUSSCGKSA-N -1 0 333.384 2.587 20 30 EFEDRM CCOC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000490653228 478365914 /nfs/dbraw/zinc/36/59/14/478365914.db2.gz VMIPERZNLCAESS-OAHLLOKOSA-N -1 0 343.383 2.636 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)o2)n1 ZINC000570474671 478367579 /nfs/dbraw/zinc/36/75/79/478367579.db2.gz NCASBFRBUHNLIB-VIFPVBQESA-N -1 0 332.337 2.605 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1 ZINC000490672185 478368572 /nfs/dbraw/zinc/36/85/72/478368572.db2.gz ZGNNGCAWZAUBQK-HNNXBMFYSA-N -1 0 345.399 2.884 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000490710020 478374389 /nfs/dbraw/zinc/37/43/89/478374389.db2.gz IGGBTZNQJXZLRE-CQSZACIVSA-N -1 0 343.383 2.658 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)s1 ZINC000581611161 478401672 /nfs/dbraw/zinc/40/16/72/478401672.db2.gz PSESJBHLFACWCF-LBPRGKRZSA-N -1 0 330.475 2.985 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000594535920 478427784 /nfs/dbraw/zinc/42/77/84/478427784.db2.gz IHKSLXGAVSTPOJ-KRWDZBQOSA-N -1 0 341.411 2.714 20 30 EFEDRM CC(C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000594535921 478428415 /nfs/dbraw/zinc/42/84/15/478428415.db2.gz IHKSLXGAVSTPOJ-QGZVFWFLSA-N -1 0 341.411 2.714 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000594538831 478429128 /nfs/dbraw/zinc/42/91/28/478429128.db2.gz VGYVCWXPELKUQI-INIZCTEOSA-N -1 0 331.416 2.837 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1nc2cc(F)ccc2s1 ZINC000527596850 478438744 /nfs/dbraw/zinc/43/87/44/478438744.db2.gz WOOCQKXGDYMYHH-SECBINFHSA-N -1 0 343.339 2.986 20 30 EFEDRM Cc1cc(NC(=O)c2cccc(Br)c2[O-])n(CCC#N)n1 ZINC000539845187 478445672 /nfs/dbraw/zinc/44/56/72/478445672.db2.gz CDTUUYZBDPLAIX-UHFFFAOYSA-N -1 0 349.188 2.826 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)OC)c1 ZINC000491143972 478452146 /nfs/dbraw/zinc/45/21/46/478452146.db2.gz ZRPYOSFAWOAVQI-HNNXBMFYSA-N -1 0 345.399 2.884 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)n1C ZINC000600653855 478456406 /nfs/dbraw/zinc/45/64/06/478456406.db2.gz PCYHJVUDILEXHS-UHFFFAOYSA-N -1 0 348.428 2.578 20 30 EFEDRM Cc1c(C(=O)[O-])cnn1C1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000600678426 478465505 /nfs/dbraw/zinc/46/55/05/478465505.db2.gz QRZBQTFIUSYYSP-UHFFFAOYSA-N -1 0 345.790 2.651 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000491209716 478472733 /nfs/dbraw/zinc/47/27/33/478472733.db2.gz KTUDVQVQFMQLGH-SNVBAGLBSA-N -1 0 337.301 2.690 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000491268142 478493096 /nfs/dbraw/zinc/49/30/96/478493096.db2.gz XTYRDWVDOGOXPF-UHFFFAOYSA-N -1 0 335.479 2.581 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000594691169 478496372 /nfs/dbraw/zinc/49/63/72/478496372.db2.gz QSWDSPGXKNZXLM-AWEZNQCLSA-N -1 0 340.420 2.868 20 30 EFEDRM N#CC1(CNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)CCCCC1 ZINC000594691480 478496380 /nfs/dbraw/zinc/49/63/80/478496380.db2.gz UTOIPKKAFGTLDQ-IBGZPJMESA-N -1 0 341.411 2.686 20 30 EFEDRM C=CCCSCCNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000594690550 478496876 /nfs/dbraw/zinc/49/68/76/478496876.db2.gz LHLRDLPINPJPGD-QGZVFWFLSA-N -1 0 334.441 2.521 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1cn(C)c2cc(F)ccc12)C(=O)[O-] ZINC000582106644 478511743 /nfs/dbraw/zinc/51/17/43/478511743.db2.gz AEJSFUUFHWXYOI-OAHLLOKOSA-N -1 0 347.390 2.579 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1C#N)C1CCCC1 ZINC000594722370 478512221 /nfs/dbraw/zinc/51/22/21/478512221.db2.gz ILMUFIMILUNQGX-HNNXBMFYSA-N -1 0 326.393 2.644 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)c1 ZINC000594724420 478514677 /nfs/dbraw/zinc/51/46/77/478514677.db2.gz VTHZUIRRQKNKST-LBPRGKRZSA-N -1 0 348.428 2.753 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)c1 ZINC000594725833 478515840 /nfs/dbraw/zinc/51/58/40/478515840.db2.gz LBHFEYPIJOLDKQ-LBPRGKRZSA-N -1 0 345.424 2.662 20 30 EFEDRM CCOC(=O)c1cc([N-]S(=O)(=O)[C@H](C#N)CC)ccc1Cl ZINC000591338856 478527327 /nfs/dbraw/zinc/52/73/27/478527327.db2.gz JEFISBRVIJESDX-JTQLQIEISA-N -1 0 330.793 2.561 20 30 EFEDRM CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000591338181 478527486 /nfs/dbraw/zinc/52/74/86/478527486.db2.gz SLEVVTVOIJPDLA-SJORKVTESA-N -1 0 337.427 2.904 20 30 EFEDRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1 ZINC000591338170 478528265 /nfs/dbraw/zinc/52/82/65/478528265.db2.gz QUNHNRZFVQSDQU-LXZKKBNFSA-N -1 0 337.427 2.808 20 30 EFEDRM C=CCOc1ccc(C=CC(=O)Nc2n[nH]c(SC)n2)cc1OC ZINC000491386637 478532048 /nfs/dbraw/zinc/53/20/48/478532048.db2.gz PNIWWXZBCFMHHV-SOFGYWHQSA-N -1 0 346.412 2.752 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c(C)cc(C)c(Br)c2C)c1C#N ZINC000600826516 478536821 /nfs/dbraw/zinc/53/68/21/478536821.db2.gz OQXZLGOQMSTDFE-UHFFFAOYSA-N -1 0 347.216 2.952 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496117565 478548021 /nfs/dbraw/zinc/54/80/21/478548021.db2.gz AHSVLTSARINUKT-YUTCNCBUSA-N -1 0 336.388 2.872 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496117564 478548252 /nfs/dbraw/zinc/54/82/52/478548252.db2.gz AHSVLTSARINUKT-UBHSHLNASA-N -1 0 336.388 2.872 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000491473972 478558001 /nfs/dbraw/zinc/55/80/01/478558001.db2.gz IYSMFBWNFUXSIS-LLVKDONJSA-N -1 0 338.264 2.552 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]OCc1ccccc1 ZINC000496133860 478560222 /nfs/dbraw/zinc/56/02/22/478560222.db2.gz PAYYDVNSIHUQPV-HNNXBMFYSA-N -1 0 347.415 2.822 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H](CC#N)C2)n1 ZINC000597908165 478568490 /nfs/dbraw/zinc/56/84/90/478568490.db2.gz NUWZAMODNSDTDC-CYBMUJFWSA-N -1 0 342.374 2.791 20 30 EFEDRM C=CCC[C@H](NC(=O)C(C)(C)Oc1ccc(OCC)cc1)C(=O)[O-] ZINC000571373475 478578683 /nfs/dbraw/zinc/57/86/83/478578683.db2.gz ARROPJBQDBLHQW-HNNXBMFYSA-N -1 0 335.400 2.778 20 30 EFEDRM N#Cc1sccc1N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000597936073 478585390 /nfs/dbraw/zinc/58/53/90/478585390.db2.gz JQFFHJONNCEFNV-UHFFFAOYSA-N -1 0 349.362 2.566 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000491634870 478607900 /nfs/dbraw/zinc/60/79/00/478607900.db2.gz RDLZLZMYQUUVBK-GXTWGEPZSA-N -1 0 328.441 2.987 20 30 EFEDRM C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC000496203830 478607948 /nfs/dbraw/zinc/60/79/48/478607948.db2.gz CQKFVNWVNMHVDR-ZDUSSCGKSA-N -1 0 342.342 2.764 20 30 EFEDRM C#C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000491675787 478628254 /nfs/dbraw/zinc/62/82/54/478628254.db2.gz XTXWIUZASIUPDH-SNVBAGLBSA-N -1 0 329.702 2.635 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1CC)C(=O)[O-] ZINC000571582790 478630645 /nfs/dbraw/zinc/63/06/45/478630645.db2.gz CRIXWYXQOFITPB-HNNXBMFYSA-N -1 0 341.411 2.892 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])nc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496238921 478631095 /nfs/dbraw/zinc/63/10/95/478631095.db2.gz VQWSAXGYSPCIHP-GFCCVEGCSA-N -1 0 348.403 2.825 20 30 EFEDRM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccncn2)n1 ZINC000496251115 478640210 /nfs/dbraw/zinc/64/02/10/478640210.db2.gz CALCYHZERHLVPA-LLVKDONJSA-N -1 0 339.355 2.709 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1O ZINC000582644362 478646682 /nfs/dbraw/zinc/64/66/82/478646682.db2.gz XSTOWLWKUAOKAV-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc1OC ZINC000571685896 478655647 /nfs/dbraw/zinc/65/56/47/478655647.db2.gz QGTGBHPHFPVTGR-GXTWGEPZSA-N -1 0 335.400 2.879 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(Cl)cc1 ZINC000491746134 478658574 /nfs/dbraw/zinc/65/85/74/478658574.db2.gz QEPGZQYWQVCKMI-CYBMUJFWSA-N -1 0 331.807 2.604 20 30 EFEDRM C[C@H](C=NN=c1[n-]ncc2ccccc21)CNC(=O)OC(C)(C)C ZINC000496543633 478668881 /nfs/dbraw/zinc/66/88/81/478668881.db2.gz AJALELVNTKFECA-LBPRGKRZSA-N -1 0 329.404 2.610 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000491771913 478670860 /nfs/dbraw/zinc/67/08/60/478670860.db2.gz RSGUDRDNSADJKW-UHFFFAOYSA-N -1 0 349.452 2.615 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@@H](C)C#N)C3CC3)n2)c1 ZINC000598138760 478675196 /nfs/dbraw/zinc/67/51/96/478675196.db2.gz VIJRXXIIAYRJNB-NSHDSACASA-N -1 0 328.347 2.542 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](C=NN=c1ccc(Cl)n[n-]1)CC1CC1 ZINC000496757427 478690913 /nfs/dbraw/zinc/69/09/13/478690913.db2.gz JXIGHNDCKIKIEP-NSHDSACASA-N -1 0 339.827 2.643 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)[C@H](C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000598191221 478698465 /nfs/dbraw/zinc/69/84/65/478698465.db2.gz MRUJHZZTOAUKQL-GFCCVEGCSA-N -1 0 328.441 2.847 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000564177591 478702197 /nfs/dbraw/zinc/70/21/97/478702197.db2.gz GCJPRGZHMAYPEJ-NSHDSACASA-N -1 0 335.385 2.622 20 30 EFEDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1 ZINC000542860595 478702235 /nfs/dbraw/zinc/70/22/35/478702235.db2.gz YZDTVPQXZSRYQX-ZDUSSCGKSA-N -1 0 344.477 2.611 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)CC(=O)[O-] ZINC000595263825 478707363 /nfs/dbraw/zinc/70/73/63/478707363.db2.gz UZKUHYIZKCNRDN-HNNXBMFYSA-N -1 0 343.427 2.984 20 30 EFEDRM CC(CCCNC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1 ZINC000496943259 478711858 /nfs/dbraw/zinc/71/18/58/478711858.db2.gz WYZMAMLKPVGNKQ-UHFFFAOYSA-N -1 0 336.392 2.873 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000497042162 478721192 /nfs/dbraw/zinc/72/11/92/478721192.db2.gz AJCBQPOLSAAFFC-DZGCQCFKSA-N -1 0 334.416 2.745 20 30 EFEDRM Cc1ccc(Sc2nc(=NC(=O)NC[C@H](C)C#N)s[n-]2)cc1 ZINC000583174277 478780689 /nfs/dbraw/zinc/78/06/89/478780689.db2.gz WACDXWNNEOGHRE-SNVBAGLBSA-N -1 0 333.442 2.701 20 30 EFEDRM CO[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)C1CCCCC1 ZINC000598437413 478824176 /nfs/dbraw/zinc/82/41/76/478824176.db2.gz JWLUTVCKTHBYDB-AWEZNQCLSA-N -1 0 349.456 2.706 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000572400257 478826438 /nfs/dbraw/zinc/82/64/38/478826438.db2.gz ZIQSEVQFZGZBQD-MRVPVSSYSA-N -1 0 337.319 2.647 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@](C)(CC)C(=O)[O-])cc1OC ZINC000492143687 478845517 /nfs/dbraw/zinc/84/55/17/478845517.db2.gz XWKIWAXJWOZTEV-IQBZNYMQSA-N -1 0 333.384 2.643 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(SC)n2)n1 ZINC000592366827 478868181 /nfs/dbraw/zinc/86/81/81/478868181.db2.gz OHHVNSQOFYANBK-SECBINFHSA-N -1 0 347.421 2.927 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399920 478885538 /nfs/dbraw/zinc/88/55/38/478885538.db2.gz YLMSVQDWBHAFEI-LBPRGKRZSA-N -1 0 327.365 2.692 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000572649916 478887764 /nfs/dbraw/zinc/88/77/64/478887764.db2.gz IZZCMTCNFVWPFZ-LLVKDONJSA-N -1 0 327.377 2.562 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC[C@H](CC(=O)[O-])C3)c2c1 ZINC000592421742 478890659 /nfs/dbraw/zinc/89/06/59/478890659.db2.gz WVGCGSVFKHXYMV-GFCCVEGCSA-N -1 0 325.368 2.806 20 30 EFEDRM CCCn1c(C)c(C(=O)N=c2[nH][n-]cc2C#N)c2cc(OC)ccc21 ZINC000601642075 478922257 /nfs/dbraw/zinc/92/22/57/478922257.db2.gz WOPOBIBPQPQPCH-UHFFFAOYSA-N -1 0 337.383 2.637 20 30 EFEDRM COc1cccc(CC2(C(=O)N=c3[nH][n-]cc3C#N)CCCCC2)c1 ZINC000601639282 478922310 /nfs/dbraw/zinc/92/23/10/478922310.db2.gz MYQOQPMQYLFQKF-UHFFFAOYSA-N -1 0 338.411 2.844 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000601639276 478922744 /nfs/dbraw/zinc/92/27/44/478922744.db2.gz MVPBJDGXCKAEEG-UHFFFAOYSA-N -1 0 349.316 2.575 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000492326037 478932811 /nfs/dbraw/zinc/93/28/11/478932811.db2.gz WIICIJAJNYZBON-CSKARUKUSA-N -1 0 335.356 2.731 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000492329377 478934375 /nfs/dbraw/zinc/93/43/75/478934375.db2.gz KVTMBRXHQXETSA-IUYMFKLXSA-N -1 0 345.395 2.643 20 30 EFEDRM CCc1oc2ccccc2c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000528968838 479003940 /nfs/dbraw/zinc/00/39/40/479003940.db2.gz NIFIXLXMGKNLRH-CQSZACIVSA-N -1 0 335.363 2.863 20 30 EFEDRM Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000492516777 479004414 /nfs/dbraw/zinc/00/44/14/479004414.db2.gz CIADMCWDJBINKY-FPLPWBNLSA-N -1 0 332.425 2.538 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccsc2)CCCCC1 ZINC000492561419 479007721 /nfs/dbraw/zinc/00/77/21/479007721.db2.gz KCEIWZAIGZNTHM-PLNGDYQASA-N -1 0 338.454 2.681 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccccc2)CCCCC1 ZINC000492604286 479010300 /nfs/dbraw/zinc/01/03/00/479010300.db2.gz OUUDLLKJBUFTAN-MDZDMXLPSA-N -1 0 332.425 2.620 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC)cc1 ZINC000528985698 479010625 /nfs/dbraw/zinc/01/06/25/479010625.db2.gz JHALGXLVWAPAGS-UHFFFAOYSA-N -1 0 338.429 2.610 20 30 EFEDRM C=C(C)Cn1c(Cc2nc(C)cs2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000573206087 479014928 /nfs/dbraw/zinc/01/49/28/479014928.db2.gz RNVOADQHUSDYNH-UHFFFAOYSA-N -1 0 343.460 2.715 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC(=O)[O-])C(C)C)cc1OC ZINC000492857546 479022641 /nfs/dbraw/zinc/02/26/41/479022641.db2.gz YCZAZZOYZRVGRK-CLFYSBASSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC1(c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC000514583549 479026886 /nfs/dbraw/zinc/02/68/86/479026886.db2.gz GDRLFVWCXCRGRB-AWEZNQCLSA-N -1 0 338.354 2.715 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)C(C)(C)C(=O)[O-])cc1OC ZINC000493082324 479033257 /nfs/dbraw/zinc/03/32/57/479033257.db2.gz KJVVNKYDTAUZOE-CSKARUKUSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)CC(=O)[O-])cc1OC ZINC000493431724 479049861 /nfs/dbraw/zinc/04/98/61/479049861.db2.gz JRCKQLKGKZSOBJ-BUUCAEBMSA-N -1 0 333.384 2.595 20 30 EFEDRM COc1ccc([C@@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])cc1F ZINC000514705873 479050373 /nfs/dbraw/zinc/05/03/73/479050373.db2.gz RHOMEUOFQUMCES-OAHLLOKOSA-N -1 0 343.314 2.653 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000546707414 479060414 /nfs/dbraw/zinc/06/04/14/479060414.db2.gz MNHVPIHLRREAHZ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000573437121 479065389 /nfs/dbraw/zinc/06/53/89/479065389.db2.gz VDZDIAQYCSYJKS-UHFFFAOYSA-N -1 0 346.337 2.622 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000546864756 479078452 /nfs/dbraw/zinc/07/84/52/479078452.db2.gz IDNULZVJLIDNSH-LBPRGKRZSA-N -1 0 329.381 2.938 20 30 EFEDRM Cc1[n-]n(-c2nc(-c3ccccn3)nc3c2CCC3)c(=O)c1CCC#N ZINC000601938355 479081556 /nfs/dbraw/zinc/08/15/56/479081556.db2.gz FWTQXESRUYZBRG-CYBMUJFWSA-N -1 0 346.394 2.670 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000546970110 479083069 /nfs/dbraw/zinc/08/30/69/479083069.db2.gz OADPQXYESASGPW-UHFFFAOYSA-N -1 0 331.821 2.933 20 30 EFEDRM N#Cc1c(N2CCC[C@H](CCC(=O)[O-])C2)nc2cc(Cl)ccn21 ZINC000595973957 479086453 /nfs/dbraw/zinc/08/64/53/479086453.db2.gz JZBFYRFTZUSTLG-LLVKDONJSA-N -1 0 332.791 2.941 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000595973388 479086523 /nfs/dbraw/zinc/08/65/23/479086523.db2.gz KXAAAYHYXJEEIP-MNOVXSKESA-N -1 0 340.339 2.704 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000595973387 479086690 /nfs/dbraw/zinc/08/66/90/479086690.db2.gz KXAAAYHYXJEEIP-GHMZBOCLSA-N -1 0 340.339 2.704 20 30 EFEDRM N#Cc1c(C#N)c2c(nc1NCC1(C(=O)[O-])CCC1)CCCCCC2 ZINC000595977150 479087314 /nfs/dbraw/zinc/08/73/14/479087314.db2.gz FUYBAWZNNCNIGI-UHFFFAOYSA-N -1 0 338.411 2.573 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000566795217 479096588 /nfs/dbraw/zinc/09/65/88/479096588.db2.gz ZENOUDUKOSPSLW-UHFFFAOYSA-N -1 0 347.383 2.538 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000566775335 479096969 /nfs/dbraw/zinc/09/69/69/479096969.db2.gz JATUXENVHALFHV-LBPRGKRZSA-N -1 0 342.779 2.516 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cn1 ZINC000601976578 479104894 /nfs/dbraw/zinc/10/48/94/479104894.db2.gz GMEYVWNLFZTGHT-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM C[C@](CC(=O)[O-])(C(=O)NCCc1ccc(C#N)cc1)c1ccsc1 ZINC000601986807 479113734 /nfs/dbraw/zinc/11/37/34/479113734.db2.gz DTQWDPIMJSNCIE-GOSISDBHSA-N -1 0 342.420 2.711 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000596058921 479113588 /nfs/dbraw/zinc/11/35/88/479113588.db2.gz QCYPZKBMADDORZ-ZDUSSCGKSA-N -1 0 333.388 2.825 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000567866906 479117726 /nfs/dbraw/zinc/11/77/26/479117726.db2.gz ADOMPSLYQCEIDQ-UHFFFAOYSA-N -1 0 344.411 2.918 20 30 EFEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000547628360 479118568 /nfs/dbraw/zinc/11/85/68/479118568.db2.gz XIWHOQYHBFGKNP-UHFFFAOYSA-N -1 0 338.392 2.805 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1C#N ZINC000601994698 479121934 /nfs/dbraw/zinc/12/19/34/479121934.db2.gz ZDORUDZPBZYGMQ-GHMZBOCLSA-N -1 0 336.413 2.879 20 30 EFEDRM N#CC1(CS(=O)(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCCC1 ZINC000548238217 479124280 /nfs/dbraw/zinc/12/42/80/479124280.db2.gz CLQJIJLPKGGWOG-UHFFFAOYSA-N -1 0 348.424 2.504 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnn2CC(C)C)n1 ZINC000568509780 479126320 /nfs/dbraw/zinc/12/63/20/479126320.db2.gz YRYRGQSXAONSDI-NSHDSACASA-N -1 0 346.412 2.662 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000548565151 479126921 /nfs/dbraw/zinc/12/69/21/479126921.db2.gz VIXQAHSPFXTKLN-UHFFFAOYSA-N -1 0 331.393 2.615 20 30 EFEDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000548592292 479127172 /nfs/dbraw/zinc/12/71/72/479127172.db2.gz BSRNQUVHIFRUPM-CYBMUJFWSA-N -1 0 344.477 2.659 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2ccc3oc(C(=O)[O-])c(C)c3c2)CC1 ZINC000568623117 479127949 /nfs/dbraw/zinc/12/79/49/479127949.db2.gz LOYZMHRRMZDNMA-UHFFFAOYSA-N -1 0 335.381 2.780 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000493726431 479133290 /nfs/dbraw/zinc/13/32/90/479133290.db2.gz RCWMALUIXPWJSS-FSNWXROXSA-N -1 0 344.411 2.998 20 30 EFEDRM COC[C@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000602010577 479134624 /nfs/dbraw/zinc/13/46/24/479134624.db2.gz FRTWVXLPCUVFTG-KRWDZBQOSA-N -1 0 345.786 2.687 20 30 EFEDRM CC(C)(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000573758795 479137540 /nfs/dbraw/zinc/13/75/40/479137540.db2.gz KJBZAGSLHZMTQJ-UHFFFAOYSA-N -1 0 327.302 2.674 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000569683852 479155967 /nfs/dbraw/zinc/15/59/67/479155967.db2.gz OLNJJWFVNIARAZ-AAEUAGOBSA-N -1 0 344.371 2.516 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000554529136 479157703 /nfs/dbraw/zinc/15/77/03/479157703.db2.gz WUQKNPRERKUBEW-UHFFFAOYSA-N -1 0 343.451 2.885 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](C(=O)[O-])C(C)C ZINC000555634695 479166046 /nfs/dbraw/zinc/16/60/46/479166046.db2.gz TUXGWIDRBVJESU-INIZCTEOSA-N -1 0 339.457 2.894 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncc(C#N)s2)c(C)c1C ZINC000610725353 479167317 /nfs/dbraw/zinc/16/73/17/479167317.db2.gz YFMXZBSREYQYLO-UHFFFAOYSA-N -1 0 335.454 2.780 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)C(=O)[O-] ZINC000556708997 479179789 /nfs/dbraw/zinc/17/97/89/479179789.db2.gz KFMAYPGTOZXCHY-MELADBBJSA-N -1 0 326.437 2.546 20 30 EFEDRM N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1 ZINC000610796141 479190725 /nfs/dbraw/zinc/19/07/25/479190725.db2.gz TWMUMRLIAAXJPG-MDZDMXLPSA-N -1 0 331.331 2.523 20 30 EFEDRM N#Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])c1 ZINC000610796133 479191332 /nfs/dbraw/zinc/19/13/32/479191332.db2.gz QNKLPVGLPAHNRM-HJWRWDBZSA-N -1 0 331.331 2.523 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCCc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000610821339 479197921 /nfs/dbraw/zinc/19/79/21/479197921.db2.gz FIXIXORLISUDSV-UHFFFAOYSA-N -1 0 345.406 2.745 20 30 EFEDRM N#CC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCOCC1 ZINC000610851798 479206290 /nfs/dbraw/zinc/20/62/90/479206290.db2.gz FGHMMCKMTOLBDW-UHFFFAOYSA-N -1 0 344.392 2.536 20 30 EFEDRM N#CC1CCC(CN=c2[n-]nc3ccc(Br)cn32)CC1 ZINC000596221227 479208706 /nfs/dbraw/zinc/20/87/06/479208706.db2.gz CRPUYRYJDOMMGF-UHFFFAOYSA-N -1 0 334.221 2.656 20 30 EFEDRM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000602171419 479215938 /nfs/dbraw/zinc/21/59/38/479215938.db2.gz ONBADEJZFZTVKA-HNNXBMFYSA-N -1 0 338.411 2.930 20 30 EFEDRM CC[C@H](CC#N)NC(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603080409 479236432 /nfs/dbraw/zinc/23/64/32/479236432.db2.gz FOONWPAIWFVCTL-MRVPVSSYSA-N -1 0 337.355 2.719 20 30 EFEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c(F)c1 ZINC000602209176 479237614 /nfs/dbraw/zinc/23/76/14/479237614.db2.gz AYECZJOROUJECS-SNVBAGLBSA-N -1 0 336.323 2.792 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)N=c1[n-]nc([C@H]2CCCO2)s1 ZINC000603164881 479285711 /nfs/dbraw/zinc/28/57/11/479285711.db2.gz LETODRGTUMVWCR-GFCCVEGCSA-N -1 0 337.449 2.605 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000574453317 479290710 /nfs/dbraw/zinc/29/07/10/479290710.db2.gz NOSRJZMPDAQFSP-IUODEOHRSA-N -1 0 345.399 2.920 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1CC)C(=O)[O-] ZINC000574482724 479293947 /nfs/dbraw/zinc/29/39/47/479293947.db2.gz GCRWHGDRLXDITL-INIZCTEOSA-N -1 0 341.411 2.892 20 30 EFEDRM CC(C)c1ccc(C[C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000611228362 479316776 /nfs/dbraw/zinc/31/67/76/479316776.db2.gz OWXYBRJYSMCJHP-ZDUSSCGKSA-N -1 0 325.416 2.590 20 30 EFEDRM C=CCCSCCNC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000596637138 479365968 /nfs/dbraw/zinc/36/59/68/479365968.db2.gz RHJLHZUEEHCYLA-UHFFFAOYSA-N -1 0 348.497 2.982 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)nn1C ZINC000602493448 479366555 /nfs/dbraw/zinc/36/65/55/479366555.db2.gz HNVQXLUPBRBGTE-SNVBAGLBSA-N -1 0 344.371 2.976 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C)nn1C ZINC000602493447 479367106 /nfs/dbraw/zinc/36/71/06/479367106.db2.gz HNVQXLUPBRBGTE-JTQLQIEISA-N -1 0 344.371 2.976 20 30 EFEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)nn1[C@H](C)C1CC1 ZINC000611472782 479387988 /nfs/dbraw/zinc/38/79/88/479387988.db2.gz MKVXFXLLGJBXBI-GFCCVEGCSA-N -1 0 340.431 2.660 20 30 EFEDRM CCc1ccc([C@H]2CCCN(C(=O)N=c3[n-]n(C)cc3C#N)C2)cc1 ZINC000588259666 479411021 /nfs/dbraw/zinc/41/10/21/479411021.db2.gz CTNVVXHWQFFQHC-INIZCTEOSA-N -1 0 337.427 2.688 20 30 EFEDRM CC(C)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258885 479411623 /nfs/dbraw/zinc/41/16/23/479411623.db2.gz LDCNVENIESODLR-HNNXBMFYSA-N -1 0 345.834 2.928 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC[C@H](C)c1ccc(OC)cc1)C(=O)[O-] ZINC000575225671 479422793 /nfs/dbraw/zinc/42/27/93/479422793.db2.gz IVQVTRZXDFMHJQ-BBRMVZONSA-N -1 0 334.416 2.907 20 30 EFEDRM C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1 ZINC000588848412 479449146 /nfs/dbraw/zinc/44/91/46/479449146.db2.gz BRDBLEJGBAGVAU-GFCCVEGCSA-N -1 0 342.380 2.758 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000599863617 479458255 /nfs/dbraw/zinc/45/82/55/479458255.db2.gz DYQXIKWCUQTNLZ-BMFZPTHFSA-N -1 0 329.400 2.784 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000599915012 479469086 /nfs/dbraw/zinc/46/90/86/479469086.db2.gz WVJRLHJCFSQFBC-UHFFFAOYSA-N -1 0 343.433 2.980 20 30 EFEDRM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1 ZINC000604205468 479486723 /nfs/dbraw/zinc/48/67/23/479486723.db2.gz YEJYLVQKSRRYOY-SNVBAGLBSA-N -1 0 349.437 2.618 20 30 EFEDRM CCc1cc(=O)c2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2[nH]1 ZINC000589196474 479495251 /nfs/dbraw/zinc/49/52/51/479495251.db2.gz FPSRXPAODWWFMY-UHFFFAOYSA-N -1 0 333.347 2.920 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)s1 ZINC000618602725 479511914 /nfs/dbraw/zinc/51/19/14/479511914.db2.gz GBGWWIZVXKDITA-UHFFFAOYSA-N -1 0 348.236 2.685 20 30 EFEDRM C[C@@H](NC(=O)N=c1nc2cc(Cl)ccn2[n-]1)c1cccc(C#N)c1 ZINC000589344517 479517010 /nfs/dbraw/zinc/51/70/10/479517010.db2.gz VTTPHMZMPPULIA-SNVBAGLBSA-N -1 0 340.774 2.559 20 30 EFEDRM C=CCSCCNC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000604488424 479525191 /nfs/dbraw/zinc/52/51/91/479525191.db2.gz MEGVFRZHTQBVHJ-UHFFFAOYSA-N -1 0 334.470 2.592 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000589585794 479542824 /nfs/dbraw/zinc/54/28/24/479542824.db2.gz KSWVVCVGIVVIBV-UHFFFAOYSA-N -1 0 333.438 2.889 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC000589585607 479542914 /nfs/dbraw/zinc/54/29/14/479542914.db2.gz FWACIGNIMMFSOF-UHFFFAOYSA-N -1 0 330.344 2.569 20 30 EFEDRM N#CC1(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCCC1 ZINC000597058559 479553347 /nfs/dbraw/zinc/55/33/47/479553347.db2.gz MWJPMULAZXXITH-UHFFFAOYSA-N -1 0 326.356 2.833 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)s[n-]1 ZINC000618752566 479579899 /nfs/dbraw/zinc/57/98/99/479579899.db2.gz RWNRSKDEDANDJB-CYBMUJFWSA-N -1 0 341.440 2.938 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000577369689 479591211 /nfs/dbraw/zinc/59/12/11/479591211.db2.gz IHANTRICEVONJL-AWEZNQCLSA-N -1 0 331.821 2.525 20 30 EFEDRM CC[C@H](c1n[n-]c(=NC(=O)NCC2(C#N)CC2)s1)c1ccccc1 ZINC000577697011 479594859 /nfs/dbraw/zinc/59/48/59/479594859.db2.gz QTCZQGQIYUGMCK-ZDUSSCGKSA-N -1 0 341.440 2.927 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000577823033 479597231 /nfs/dbraw/zinc/59/72/31/479597231.db2.gz RSZDSEGQWYUILF-LESCRADOSA-N -1 0 346.427 2.825 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N([C@H](CC)C(=O)[O-])C1CC1 ZINC000578283061 479604746 /nfs/dbraw/zinc/60/47/46/479604746.db2.gz PLWBVQFUINWZSS-OAHLLOKOSA-N -1 0 332.400 2.789 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000578949359 479635344 /nfs/dbraw/zinc/63/53/44/479635344.db2.gz SHRJZQIVBLNCHP-HIFRSBDPSA-N -1 0 332.400 2.646 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000590399060 479639588 /nfs/dbraw/zinc/63/95/88/479639588.db2.gz DWNOXXZXNXONQQ-UHFFFAOYSA-N -1 0 333.351 2.705 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000612321169 479642767 /nfs/dbraw/zinc/64/27/67/479642767.db2.gz OTECIFBUZCDCNG-OGZRUICASA-N -1 0 343.412 2.881 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc3c(c2)CCCCC3=O)[n-]1 ZINC000579065405 479654402 /nfs/dbraw/zinc/65/44/02/479654402.db2.gz LSMDTAJYKBGUHK-UHFFFAOYSA-N -1 0 336.395 2.919 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)OCC ZINC000579128769 479665442 /nfs/dbraw/zinc/66/54/42/479665442.db2.gz GJNCPDRKHNEVAW-AWEZNQCLSA-N -1 0 330.388 2.796 20 30 EFEDRM COCCn1ncc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc21 ZINC000615427500 479672570 /nfs/dbraw/zinc/67/25/70/479672570.db2.gz YKYMKMUWPSTPRA-UHFFFAOYSA-N -1 0 336.351 2.512 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1[O-] ZINC000615423281 479672859 /nfs/dbraw/zinc/67/28/59/479672859.db2.gz CKBZSNHADJMEPF-UHFFFAOYSA-N -1 0 336.376 2.958 20 30 EFEDRM C[C@@H](c1ccccc1)n1ccc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH]1 ZINC000615427211 479673167 /nfs/dbraw/zinc/67/31/67/479673167.db2.gz GIDUXGROEGVUQQ-ZDUSSCGKSA-N -1 0 332.363 2.744 20 30 EFEDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000615565929 479694276 /nfs/dbraw/zinc/69/42/76/479694276.db2.gz MVOQTXUPPCZHKN-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM N#C[C@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCC[C@@]12CCCCO2 ZINC000619221940 479722968 /nfs/dbraw/zinc/72/29/68/479722968.db2.gz GUYXVWTXYDOUOF-SJORKVTESA-N -1 0 331.372 2.728 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000615872216 479774294 /nfs/dbraw/zinc/77/42/94/479774294.db2.gz ZNVCJLHKDAYMBN-HIFRSBDPSA-N -1 0 347.802 2.695 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462579 479799983 /nfs/dbraw/zinc/79/99/83/479799983.db2.gz OOKVZMGKELZKPU-UHFFFAOYSA-N -1 0 343.408 2.820 20 30 EFEDRM C=CCC[C@H](NC(=O)N=c1ccc(C(=O)OC)n[n-]1)c1ccccc1 ZINC000619634820 479846080 /nfs/dbraw/zinc/84/60/80/479846080.db2.gz NVKOLRRTXUDKEL-AWEZNQCLSA-N -1 0 340.383 2.514 20 30 EFEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000609873063 480215820 /nfs/dbraw/zinc/21/58/20/480215820.db2.gz ATZRYGLBRPEOPX-UHFFFAOYSA-N -1 0 332.429 2.722 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000614182400 480218022 /nfs/dbraw/zinc/21/80/22/480218022.db2.gz PBRODBBEABTFDZ-UHFFFAOYSA-N -1 0 343.818 2.779 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1C ZINC000610057422 480232755 /nfs/dbraw/zinc/23/27/55/480232755.db2.gz RGRNQARSKMXCAK-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)s1 ZINC000610317671 480279124 /nfs/dbraw/zinc/27/91/24/480279124.db2.gz VJQORLYNDLLGJK-NSHDSACASA-N -1 0 329.429 2.913 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000629492651 480279226 /nfs/dbraw/zinc/27/92/26/480279226.db2.gz MLRIZDCBRMFGRB-KRWDZBQOSA-N -1 0 334.441 2.842 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])[C@H](C)COC ZINC000617579762 480286883 /nfs/dbraw/zinc/28/68/83/480286883.db2.gz KPRQEXDZQJXVLN-CYBMUJFWSA-N -1 0 347.390 2.689 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc(-c2ccncc2)cs1 ZINC000626313100 480306507 /nfs/dbraw/zinc/30/65/07/480306507.db2.gz FVQOSTYDDDMQCX-LBPRGKRZSA-N -1 0 336.380 2.622 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc(-c2ccncc2)cs1 ZINC000626313099 480306572 /nfs/dbraw/zinc/30/65/72/480306572.db2.gz FVQOSTYDDDMQCX-GFCCVEGCSA-N -1 0 336.380 2.622 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000614462645 480313927 /nfs/dbraw/zinc/31/39/27/480313927.db2.gz YYTUBMNXRDLMIX-UHFFFAOYSA-N -1 0 338.367 2.814 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000610479239 480316448 /nfs/dbraw/zinc/31/64/48/480316448.db2.gz PPXPIRDESMLAEK-UHFFFAOYSA-N -1 0 348.428 2.993 20 30 EFEDRM Cc1ccc([C@@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)o1 ZINC000610560367 480336601 /nfs/dbraw/zinc/33/66/01/480336601.db2.gz BFFDNJTWBHNIRK-AWEZNQCLSA-N -1 0 327.388 2.764 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)[n-]1 ZINC000610560996 480337324 /nfs/dbraw/zinc/33/73/24/480337324.db2.gz CATWBYINPCGKRC-CQSZACIVSA-N -1 0 343.818 2.606 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)[n-]1 ZINC000610560993 480337487 /nfs/dbraw/zinc/33/74/87/480337487.db2.gz CATWBYINPCGKRC-AWEZNQCLSA-N -1 0 343.818 2.606 20 30 EFEDRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564494 480338055 /nfs/dbraw/zinc/33/80/55/480338055.db2.gz RDHGZFCQDSPBDS-MRXNPFEDSA-N -1 0 325.416 2.507 20 30 EFEDRM CC[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610564508 480338077 /nfs/dbraw/zinc/33/80/77/480338077.db2.gz REFZRWXAHYLKNC-RHSMWYFYSA-N -1 0 337.427 2.761 20 30 EFEDRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564493 480338338 /nfs/dbraw/zinc/33/83/38/480338338.db2.gz RDHGZFCQDSPBDS-INIZCTEOSA-N -1 0 325.416 2.507 20 30 EFEDRM CCCN(Cc1c(F)cccc1Cl)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564818 480338730 /nfs/dbraw/zinc/33/87/30/480338730.db2.gz SNPLOQKIVITDFT-UHFFFAOYSA-N -1 0 349.797 2.950 20 30 EFEDRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563366 480338801 /nfs/dbraw/zinc/33/88/01/480338801.db2.gz AZNJEWJLIYGKDB-IRXDYDNUSA-N -1 0 337.427 2.904 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccccc2F)C2CCCC2)[n-]1 ZINC000610674804 480361951 /nfs/dbraw/zinc/36/19/51/480361951.db2.gz VRKBILXNKXWTGA-INIZCTEOSA-N -1 0 341.390 2.906 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000634654311 480401006 /nfs/dbraw/zinc/40/10/06/480401006.db2.gz DQTUFAFELPJPKV-UHFFFAOYSA-N -1 0 325.430 2.584 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634834066 480568225 /nfs/dbraw/zinc/56/82/25/480568225.db2.gz UCUQJZNYLFQKDH-PVUWLOKVSA-N -1 0 337.441 2.578 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2cc(F)ccc2s1 ZINC000644786639 480575191 /nfs/dbraw/zinc/57/51/91/480575191.db2.gz IZBFZPDRJFMLNO-SNVBAGLBSA-N -1 0 342.355 2.904 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000634853268 480582271 /nfs/dbraw/zinc/58/22/71/480582271.db2.gz JVAXNXHADVNSTA-VHSXEESVSA-N -1 0 331.821 2.794 20 30 EFEDRM C=CCC[C@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000630183438 480595507 /nfs/dbraw/zinc/59/55/07/480595507.db2.gz WKJOGSBINKOQGZ-HNNXBMFYSA-N -1 0 347.411 2.706 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@](C)(CC)CC(=O)[O-])cc(OC)c1OC ZINC000634876757 480599959 /nfs/dbraw/zinc/59/99/59/480599959.db2.gz WKQFQHLLGQPLLV-LJQANCHMSA-N -1 0 349.427 2.940 20 30 EFEDRM N#CCCCn1cc(C(=O)N=c2nc3ccccn3[n-]2)c2ccccc21 ZINC000618337939 480624205 /nfs/dbraw/zinc/62/42/05/480624205.db2.gz OLSKABPWCMFHGE-UHFFFAOYSA-N -1 0 344.378 2.662 20 30 EFEDRM C=CCCOCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630254906 480634835 /nfs/dbraw/zinc/63/48/35/480634835.db2.gz CCENSQSAGOUCFQ-UHFFFAOYSA-N -1 0 329.299 2.560 20 30 EFEDRM C=CCN(C(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1)[C@@H](C)COC ZINC000634928905 480641334 /nfs/dbraw/zinc/64/13/34/480641334.db2.gz AGPZRCSZNAAMKV-SCLBCKFNSA-N -1 0 337.391 2.608 20 30 EFEDRM C=CCN(C(=O)[C@](C)(CC(=O)[O-])c1ccsc1)[C@@H](C)COC ZINC000634929878 480642589 /nfs/dbraw/zinc/64/25/89/480642589.db2.gz UHMUAKVVSYECIC-BLLLJJGKSA-N -1 0 325.430 2.530 20 30 EFEDRM C=CC[C@H](CC)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000630288862 480655019 /nfs/dbraw/zinc/65/50/19/480655019.db2.gz JUEIHKCVTXRMIU-AWEZNQCLSA-N -1 0 327.384 2.963 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630302677 480661904 /nfs/dbraw/zinc/66/19/04/480661904.db2.gz HAXZPGYEPZUEJY-XEZPLFJOSA-N -1 0 349.452 2.963 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000630316519 480667878 /nfs/dbraw/zinc/66/78/78/480667878.db2.gz FENAFLGIXAJVDP-GFCCVEGCSA-N -1 0 334.397 2.790 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1ccc(/C=C/C)cc1OC)C(=O)[O-] ZINC000630319099 480668977 /nfs/dbraw/zinc/66/89/77/480668977.db2.gz RUYYKHRKNAKSCK-GJBLVYBDSA-N -1 0 333.384 2.643 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000630318674 480669006 /nfs/dbraw/zinc/66/90/06/480669006.db2.gz LKYOQZKUAUAQMR-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000630318591 480669033 /nfs/dbraw/zinc/66/90/33/480669033.db2.gz JSCKUFWPEDNLSZ-GFCCVEGCSA-N -1 0 326.780 2.671 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000630318122 480669069 /nfs/dbraw/zinc/66/90/69/480669069.db2.gz CXMYJDNTKTZQNK-LBPRGKRZSA-N -1 0 339.775 2.651 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000630320029 480669853 /nfs/dbraw/zinc/66/98/53/480669853.db2.gz NFWAUAHGDWSVEH-MRXNPFEDSA-N -1 0 341.411 2.947 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322827 480670582 /nfs/dbraw/zinc/67/05/82/480670582.db2.gz WOBSPBYGQKLKQO-WBVHZDCISA-N -1 0 348.443 2.681 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322164 480670714 /nfs/dbraw/zinc/67/07/14/480670714.db2.gz QCYGBJRWWAIDIH-ZBFHGGJFSA-N -1 0 334.416 2.606 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCOc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000630325132 480671612 /nfs/dbraw/zinc/67/16/12/480671612.db2.gz IDHBELVRENPSMC-MRXNPFEDSA-N -1 0 333.384 2.584 20 30 EFEDRM C=CCc1cc(CNc2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC000630455975 480720252 /nfs/dbraw/zinc/72/02/52/480720252.db2.gz MLZNDYXVGDLFSY-UHFFFAOYSA-N -1 0 334.397 2.621 20 30 EFEDRM C=C(C)C[C@H](NC(=O)N[C@@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000630471940 480732557 /nfs/dbraw/zinc/73/25/57/480732557.db2.gz XFTRRJGQRKJZCQ-BBRMVZONSA-N -1 0 334.416 2.735 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)N[C@@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000630471943 480732839 /nfs/dbraw/zinc/73/28/39/480732839.db2.gz XFTRRJGQRKJZCQ-XJKSGUPXSA-N -1 0 334.416 2.735 20 30 EFEDRM CC#CC[C@@H](CO)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000645406892 480827937 /nfs/dbraw/zinc/82/79/37/480827937.db2.gz DRKUUOHDMMEGEF-LURJTMIESA-N -1 0 343.168 2.533 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@H]2CN(c3ccccc3)CCO2)s1 ZINC000641406050 480923344 /nfs/dbraw/zinc/92/33/44/480923344.db2.gz LIZFOTMPQFCEDS-CQSZACIVSA-N -1 0 348.497 2.555 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000645964524 480992748 /nfs/dbraw/zinc/99/27/48/480992748.db2.gz BQLYNLSROORKDJ-UHFFFAOYSA-N -1 0 349.330 2.744 20 30 EFEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000641686647 481009159 /nfs/dbraw/zinc/00/91/59/481009159.db2.gz YIQCVKMZNFMFQZ-UHFFFAOYSA-N -1 0 333.413 2.585 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000669504471 481166426 /nfs/dbraw/zinc/16/64/26/481166426.db2.gz DWSAXESFVOXOFV-HNNXBMFYSA-N -1 0 332.400 2.856 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c(OC)c1 ZINC000659232611 481292039 /nfs/dbraw/zinc/29/20/39/481292039.db2.gz CCBKNJJDUBXNCC-LPHOPBHVSA-N -1 0 347.411 2.562 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000653659040 481391149 /nfs/dbraw/zinc/39/11/49/481391149.db2.gz BBIULAIKPDBEGO-JOYOIKCWSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCC1(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCOCC1 ZINC000649258944 481999546 /nfs/dbraw/zinc/99/95/46/481999546.db2.gz JJJQTUXFLWAVAI-UHFFFAOYSA-N -1 0 329.396 2.642 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000654800286 482056306 /nfs/dbraw/zinc/05/63/06/482056306.db2.gz NNUDIPYIOCCMOS-ZIAGYGMSSA-N -1 0 336.363 2.758 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccccc2Cl)CCC1)C(=O)[O-] ZINC000652071214 482060143 /nfs/dbraw/zinc/06/01/43/482060143.db2.gz LVLCJPHVNBICAC-CQSZACIVSA-N -1 0 337.803 2.534 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000654819991 482065114 /nfs/dbraw/zinc/06/51/14/482065114.db2.gz DMHCZPMZCHXAOS-QRHJNKNDSA-N -1 0 338.448 2.690 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663294388 482152957 /nfs/dbraw/zinc/15/29/57/482152957.db2.gz PQYCAYNGDPJOGL-NSHDSACASA-N -1 0 338.212 2.615 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000652372598 482201358 /nfs/dbraw/zinc/20/13/58/482201358.db2.gz ZKXWWDHRWABGAR-LLVKDONJSA-N -1 0 349.740 2.515 20 30 EFEDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283754 533893384 /nfs/dbraw/zinc/89/33/84/533893384.db2.gz KLWGVXXKMSAMNT-MNOVXSKESA-N -1 0 347.820 2.569 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000191280331 533961523 /nfs/dbraw/zinc/96/15/23/533961523.db2.gz VRRQDAXCIPBFHC-CYBMUJFWSA-N -1 0 330.384 2.571 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000263376206 534408931 /nfs/dbraw/zinc/40/89/31/534408931.db2.gz WQODWUHKSAVQQP-DOMZBBRYSA-N -1 0 347.411 2.615 20 30 EFEDRM C=C(CNC(=O)N=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000348196890 534431575 /nfs/dbraw/zinc/43/15/75/534431575.db2.gz IZIGRYRABPZAQO-UHFFFAOYSA-N -1 0 328.319 2.814 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000263135960 519780715 /nfs/dbraw/zinc/78/07/15/519780715.db2.gz NQGLCEVWNJCYTI-OCCSQVGLSA-N -1 0 345.399 2.920 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cn1 ZINC000181060310 521210849 /nfs/dbraw/zinc/21/08/49/521210849.db2.gz HQOYDGFXYSAGKC-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000180070908 521435378 /nfs/dbraw/zinc/43/53/78/521435378.db2.gz SERVPHNZKDSJQB-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000180235001 521563478 /nfs/dbraw/zinc/56/34/78/521563478.db2.gz PTPWOTJFHDHVSD-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000178201295 523865829 /nfs/dbraw/zinc/86/58/29/523865829.db2.gz OLNZOMOUYLEVSH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000361119494 534743669 /nfs/dbraw/zinc/74/36/69/534743669.db2.gz JNHPQTZIRAXFFH-UHFFFAOYSA-N -1 0 339.760 2.564 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000152920037 524016543 /nfs/dbraw/zinc/01/65/43/524016543.db2.gz VINBZYOFVDFCAF-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccc(C)c1Br)C(=O)[O-] ZINC000262979986 534793664 /nfs/dbraw/zinc/79/36/64/534793664.db2.gz UFGYPJBAQFLUQW-LLVKDONJSA-N -1 0 326.190 2.907 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(OC)c1 ZINC000073353772 524687344 /nfs/dbraw/zinc/68/73/44/524687344.db2.gz KMXVLBSOTUIODH-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000073353790 524870156 /nfs/dbraw/zinc/87/01/56/524870156.db2.gz KIOLJHQJQCOVRP-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000073840601 525037892 /nfs/dbraw/zinc/03/78/92/525037892.db2.gz COPLEVSGIZNIST-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000073840587 525038312 /nfs/dbraw/zinc/03/83/12/525038312.db2.gz HXYJJBNPGLPKLV-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000263085796 525183635 /nfs/dbraw/zinc/18/36/35/525183635.db2.gz VDCFXTIHAYNLNC-HNJNHCNJSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000263044079 525226505 /nfs/dbraw/zinc/22/65/05/525226505.db2.gz DINXEULOWMHAOL-KRWDZBQOSA-N -1 0 332.425 2.505 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000238002566 534840748 /nfs/dbraw/zinc/84/07/48/534840748.db2.gz BITALYIVAOOPMO-UHFFFAOYSA-N -1 0 343.451 2.885 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c(C)c1 ZINC000178733056 525620703 /nfs/dbraw/zinc/62/07/03/525620703.db2.gz PGDANPBPXVEIGY-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000071803832 525899124 /nfs/dbraw/zinc/89/91/24/525899124.db2.gz GTHWXHUXJQXLJR-NSHDSACASA-N -1 0 334.397 2.695 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc1C#N ZINC000074343936 526214174 /nfs/dbraw/zinc/21/41/74/526214174.db2.gz MGDLJOHCYIBNHA-UHFFFAOYSA-N -1 0 333.800 2.964 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000186542549 526225170 /nfs/dbraw/zinc/22/51/70/526225170.db2.gz LHFLIUKPWXAAOZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000120748585 526530917 /nfs/dbraw/zinc/53/09/17/526530917.db2.gz XLUHCAUBADMQDW-UHFFFAOYSA-N -1 0 342.336 2.749 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000120584854 526531223 /nfs/dbraw/zinc/53/12/23/526531223.db2.gz UPOOBODXMTVSCW-UHFFFAOYSA-N -1 0 343.364 2.756 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000124593094 526562264 /nfs/dbraw/zinc/56/22/64/526562264.db2.gz RELINQUGUFYOBA-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000161674375 526664959 /nfs/dbraw/zinc/66/49/59/526664959.db2.gz OTLSCDGSOUMISZ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)s1 ZINC000230366600 526683475 /nfs/dbraw/zinc/68/34/75/526683475.db2.gz JXTSYKMRFNVLBD-UHFFFAOYSA-N -1 0 332.765 2.919 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cn1 ZINC000195442150 526683944 /nfs/dbraw/zinc/68/39/44/526683944.db2.gz FOWARFMYFNXVHD-UHFFFAOYSA-N -1 0 340.364 2.773 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)s1 ZINC000230344149 526683955 /nfs/dbraw/zinc/68/39/55/526683955.db2.gz RFXJMBVLCYGPMA-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193028014 526744818 /nfs/dbraw/zinc/74/48/18/526744818.db2.gz XMLPVHNMMFRZFN-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160828680 527630523 /nfs/dbraw/zinc/63/05/23/527630523.db2.gz VPADPGBJZFOANU-OAHLLOKOSA-N -1 0 330.428 2.601 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000160656518 528547552 /nfs/dbraw/zinc/54/75/52/528547552.db2.gz ONBRRICCNPOPJN-UHFFFAOYSA-N -1 0 330.413 2.625 20 30 EFEDRM CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000179394775 528953616 /nfs/dbraw/zinc/95/36/16/528953616.db2.gz OBLQPJKIEPGWHU-OAHLLOKOSA-N -1 0 334.441 2.721 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263473003 534972791 /nfs/dbraw/zinc/97/27/91/534972791.db2.gz IJWHOTYASYYYGE-ZDUSSCGKSA-N -1 0 331.372 2.674 20 30 EFEDRM CC(C)(C#N)CC(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000356026806 534978148 /nfs/dbraw/zinc/97/81/48/534978148.db2.gz BQBFZPLVOGKBQH-UHFFFAOYSA-N -1 0 336.367 2.707 20 30 EFEDRM CC(C)(C#N)CC(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360564834 534978764 /nfs/dbraw/zinc/97/87/64/534978764.db2.gz YVKAGKZPWSYELK-UHFFFAOYSA-N -1 0 348.410 2.622 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1ccccc1S(C)(=O)=O ZINC000194800834 534989825 /nfs/dbraw/zinc/98/98/25/534989825.db2.gz MMMKCGMASJTHHJ-UHFFFAOYSA-N -1 0 333.475 2.802 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000349699440 534995928 /nfs/dbraw/zinc/99/59/28/534995928.db2.gz ATGOEAOGXYTFSE-UHFFFAOYSA-N -1 0 347.469 2.924 20 30 EFEDRM CC(C)(CCNC(=O)NCCSCc1ccccc1C#N)C(=O)[O-] ZINC000424393009 535036482 /nfs/dbraw/zinc/03/64/82/535036482.db2.gz VPINDLPLUOWQHI-UHFFFAOYSA-N -1 0 349.456 2.592 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000348885955 535195663 /nfs/dbraw/zinc/19/56/63/535195663.db2.gz WKONJAFHPMJDEM-UHFFFAOYSA-N -1 0 347.444 2.706 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1OC ZINC000435494352 535685962 /nfs/dbraw/zinc/68/59/62/535685962.db2.gz WGKVOKJEWUFBGC-UHFFFAOYSA-N -1 0 338.410 2.828 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1COC ZINC000351828517 535696678 /nfs/dbraw/zinc/69/66/78/535696678.db2.gz ZTUBNFTYEYFSNM-UHFFFAOYSA-N -1 0 346.408 2.904 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sccc2OC)n1 ZINC000358402355 535727935 /nfs/dbraw/zinc/72/79/35/535727935.db2.gz NBCVGTZCTHLIKW-MRVPVSSYSA-N -1 0 336.394 2.880 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2noc3c2CCCC3)n1 ZINC000354684691 535728235 /nfs/dbraw/zinc/72/82/35/535728235.db2.gz QHYYQHMGEPRURR-SNVBAGLBSA-N -1 0 345.380 2.677 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2OCC)n1 ZINC000354938555 535728450 /nfs/dbraw/zinc/72/84/50/535728450.db2.gz DFQDHVVCNUQBJN-LLVKDONJSA-N -1 0 345.380 2.604 20 30 EFEDRM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000342567936 536017149 /nfs/dbraw/zinc/01/71/49/536017149.db2.gz KZHFEKDEFWCGLB-UHFFFAOYSA-N -1 0 339.804 2.667 20 30 EFEDRM CCc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1-c1ccccc1 ZINC000359722815 536049108 /nfs/dbraw/zinc/04/91/08/536049108.db2.gz GTYXUKTXYNEIBK-UHFFFAOYSA-N -1 0 346.394 2.581 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356752715 536657206 /nfs/dbraw/zinc/65/72/06/536657206.db2.gz SEPCUDGNCUOLDW-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COC(=O)c1ccc(Cl)c(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000359520444 536711877 /nfs/dbraw/zinc/71/18/77/536711877.db2.gz ANZJBVRUKPDVCK-TWGQIWQCSA-N -1 0 343.770 2.951 20 30 EFEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000680617252 549359574 /nfs/dbraw/zinc/35/95/74/549359574.db2.gz KRDQWUDLRKUCAK-VIFPVBQESA-N -1 0 329.312 2.617 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[n-]1 ZINC000330225101 545848220 /nfs/dbraw/zinc/84/82/20/545848220.db2.gz AYHFUIDCAATVKV-UHFFFAOYSA-N -1 0 337.383 2.889 20 30 EFEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1ccc(C(F)(F)F)cn1 ZINC000355108164 546077236 /nfs/dbraw/zinc/07/72/36/546077236.db2.gz AJHXJWTXJZCSLS-JTQLQIEISA-N -1 0 343.268 2.929 20 30 EFEDRM C=CCCn1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)nn1 ZINC000656571901 546845773 /nfs/dbraw/zinc/84/57/73/546845773.db2.gz DCFOUXWEBUOFSW-OAHLLOKOSA-N -1 0 334.807 2.732 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000656716474 546899644 /nfs/dbraw/zinc/89/96/44/546899644.db2.gz GHJYQYMEGVIXEI-HOCLYGCPSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1OC ZINC000675944770 548378739 /nfs/dbraw/zinc/37/87/39/548378739.db2.gz IYWCDPKHYBKNJE-UHFFFAOYSA-N -1 0 348.380 2.596 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000677644470 548741121 /nfs/dbraw/zinc/74/11/21/548741121.db2.gz PYMPFVNIUDNFNH-KBXCAEBGSA-N -1 0 333.395 2.765 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCCC[C@H]2CC(=O)[O-])c(OC)c1 ZINC000679400448 549120753 /nfs/dbraw/zinc/12/07/53/549120753.db2.gz OGMYIFNEJBIKGY-HNNXBMFYSA-N -1 0 347.411 2.658 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(-c2ccncc2)n1 ZINC000681350308 549514998 /nfs/dbraw/zinc/51/49/98/549514998.db2.gz NCLNBEWXWXZGJQ-CYBMUJFWSA-N -1 0 342.362 2.848 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C ZINC000681357030 549515945 /nfs/dbraw/zinc/51/59/45/549515945.db2.gz URGHCBVZMTWFAO-VIFPVBQESA-N -1 0 330.344 2.668 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000681557841 549565849 /nfs/dbraw/zinc/56/58/49/549565849.db2.gz HYIOHHZUVPOIPT-CQSZACIVSA-N -1 0 325.430 2.682 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(OCCCCC)cc1)C(=O)[O-] ZINC000681558755 549567141 /nfs/dbraw/zinc/56/71/41/549567141.db2.gz WIYORKVNHBPPLH-OAHLLOKOSA-N -1 0 341.429 2.563 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000684730960 550084543 /nfs/dbraw/zinc/08/45/43/550084543.db2.gz ASGRPUIOKHMGJZ-HNNXBMFYSA-N -1 0 332.400 2.790 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684747587 550088578 /nfs/dbraw/zinc/08/85/78/550088578.db2.gz CXRXDTQLIJEPAW-OAHLLOKOSA-N -1 0 345.399 2.829 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753934846 575362480 /nfs/dbraw/zinc/36/24/80/575362480.db2.gz KRZVZHLYVRYSMC-VXGBXAGGSA-N -1 0 327.215 2.893 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CCCC#N ZINC000754003247 575374178 /nfs/dbraw/zinc/37/41/78/575374178.db2.gz ZYJDLSWVKHHTPW-KBPBESRZSA-N -1 0 334.441 2.726 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ccc(C(F)(F)F)nn1)O2 ZINC000754711120 575475684 /nfs/dbraw/zinc/47/56/84/575475684.db2.gz LUMGNRAGRLLCDD-UHFFFAOYSA-N -1 0 338.245 2.510 20 30 EFEDRM COc1ccc(CCC(C)N=Nc2ccc(C(=O)[O-])cn2)cc1O ZINC000754960208 575519820 /nfs/dbraw/zinc/51/98/20/575519820.db2.gz CIOQQYCLNRJSID-UHFFFAOYSA-N -1 0 329.356 2.915 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1NN=Cc1cc(C(=O)[O-])cs1 ZINC000755604232 575606586 /nfs/dbraw/zinc/60/65/86/575606586.db2.gz MAJAHTNGCHSBTJ-UHFFFAOYSA-N -1 0 342.380 2.622 20 30 EFEDRM CC(=O)Nc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000755617293 575608953 /nfs/dbraw/zinc/60/89/53/575608953.db2.gz JIWRLVMNGPOBIK-UHFFFAOYSA-N -1 0 338.392 2.526 20 30 EFEDRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000755643450 575612522 /nfs/dbraw/zinc/61/25/22/575612522.db2.gz LDUNREZAQQFQHB-CYBMUJFWSA-N -1 0 336.457 2.967 20 30 EFEDRM CCCCCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755646452 575613020 /nfs/dbraw/zinc/61/30/20/575613020.db2.gz URDRJGOBWAHGTK-UHFFFAOYSA-N -1 0 333.417 2.865 20 30 EFEDRM COc1ccc2c(c1)C(=N[N-]c1nc(C(F)(F)F)cs1)C(=O)N2 ZINC000755906521 575653017 /nfs/dbraw/zinc/65/30/17/575653017.db2.gz ZCHFCRYFUPAVDR-UHFFFAOYSA-N -1 0 342.302 2.939 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)OCC ZINC000756504444 575750291 /nfs/dbraw/zinc/75/02/91/575750291.db2.gz OCXJWNOLBGHPAC-GFCCVEGCSA-N -1 0 331.821 2.516 20 30 EFEDRM COc1ccc(C=NNCc2cccc(Cl)c2)c(OCC(=O)[O-])c1 ZINC000756828156 575789992 /nfs/dbraw/zinc/78/99/92/575789992.db2.gz XSHAEGDFTQOWNY-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000756898879 575798530 /nfs/dbraw/zinc/79/85/30/575798530.db2.gz GCGMCSGCUCBWSO-UHFFFAOYSA-N -1 0 337.339 2.625 20 30 EFEDRM COc1ccc2c(c1)OCC2=NNc1ccc(C(=O)[O-])cc1OC ZINC000756901299 575798923 /nfs/dbraw/zinc/79/89/23/575798923.db2.gz NYGLCXCKXSBWHG-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000756905760 575799651 /nfs/dbraw/zinc/79/96/51/575799651.db2.gz IQDMLMOVPZRYEL-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1sccc1NC(C)=O ZINC000756905836 575799665 /nfs/dbraw/zinc/79/96/65/575799665.db2.gz MGVBOLRZLXCXLI-UHFFFAOYSA-N -1 0 333.369 2.859 20 30 EFEDRM CC(N=Nc1ncnc2sccc21)c1cc(C(=O)[O-])ccc1O ZINC000757460074 575839633 /nfs/dbraw/zinc/83/96/33/575839633.db2.gz NIRRLRXHXAKPQM-UHFFFAOYSA-N -1 0 328.353 2.931 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000757472095 575840106 /nfs/dbraw/zinc/84/01/06/575840106.db2.gz LAPVWQCGTLNACZ-UTCJRWHESA-N -1 0 345.307 2.919 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000757476396 575840370 /nfs/dbraw/zinc/84/03/70/575840370.db2.gz QUVZUINUVCZWDU-QPJJXVBHSA-N -1 0 338.331 2.970 20 30 EFEDRM CC(=O)c1ccccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000757499403 575840894 /nfs/dbraw/zinc/84/08/94/575840894.db2.gz ZYZSHEYXGQGNQU-AWEZNQCLSA-N -1 0 342.376 2.687 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758090219 575859712 /nfs/dbraw/zinc/85/97/12/575859712.db2.gz IFVXOXUXRADRFI-UHFFFAOYSA-N -1 0 336.417 2.821 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758111640 575859994 /nfs/dbraw/zinc/85/99/94/575859994.db2.gz YGVWDPMABVCVND-UHFFFAOYSA-N -1 0 349.368 2.540 20 30 EFEDRM CC(N=Nc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758120514 575860261 /nfs/dbraw/zinc/86/02/61/575860261.db2.gz MMPNNFSDNDVMAZ-UHFFFAOYSA-N -1 0 340.299 2.582 20 30 EFEDRM O=C([O-])COc1ccc(C=NOCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000758142995 575861166 /nfs/dbraw/zinc/86/11/66/575861166.db2.gz BPKZNXNKFVHOIX-UHFFFAOYSA-N -1 0 348.286 2.748 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000758503602 575871083 /nfs/dbraw/zinc/87/10/83/575871083.db2.gz JIJPTDCWTJOOPY-UHFFFAOYSA-N -1 0 334.397 2.542 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CC#N)cc2)n1 ZINC000758689324 575875598 /nfs/dbraw/zinc/87/55/98/575875598.db2.gz KGVNHJAFXMZPFU-AWEZNQCLSA-N -1 0 339.376 2.551 20 30 EFEDRM CCO[C@@H]1COCC[C@@H]1/N=C/c1cc(Br)ccc1O ZINC000758815380 575877824 /nfs/dbraw/zinc/87/78/24/575877824.db2.gz KRIILNLFMVXMMK-UXBRTFHTSA-N -1 0 328.206 2.768 20 30 EFEDRM CCO[C@@H]1COCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758814488 575877861 /nfs/dbraw/zinc/87/78/61/575877861.db2.gz HCFISDLRGINLPN-GTTBJYQFSA-N -1 0 328.752 2.567 20 30 EFEDRM O=C([O-])COc1ccc(C=NOCC(F)F)cc1Br ZINC000758904802 575879854 /nfs/dbraw/zinc/87/98/54/575879854.db2.gz XUTKXGPHERWLJO-UHFFFAOYSA-N -1 0 338.104 2.528 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(-c3cccs3)cc2)nn1 ZINC000759077720 575884139 /nfs/dbraw/zinc/88/41/39/575884139.db2.gz VXVUNHXPEKRHRE-FPLPWBNLSA-N -1 0 339.376 2.987 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2/CCc3c4ccccc4sc3C2=O)nn1 ZINC000759083633 575884213 /nfs/dbraw/zinc/88/42/13/575884213.db2.gz ONVIRPTVBAQBLX-YFHOEESVSA-N -1 0 339.376 2.790 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cn(CC(=O)[O-])nn1)CCO2 ZINC000759083112 575884233 /nfs/dbraw/zinc/88/42/33/575884233.db2.gz KZAHCXURNHIQBE-NTUHNPAUSA-N -1 0 341.367 2.535 20 30 EFEDRM O=C(/C=C\c1cnc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088513 575884312 /nfs/dbraw/zinc/88/43/12/575884312.db2.gz AURBDCHERAEOEY-HYXAFXHYSA-N -1 0 340.339 2.587 20 30 EFEDRM CCOC(=O)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000759092690 575884392 /nfs/dbraw/zinc/88/43/92/575884392.db2.gz ZITXAIADMDVKFK-QPJJXVBHSA-N -1 0 331.280 2.966 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)cc1 ZINC000759121145 575884929 /nfs/dbraw/zinc/88/49/29/575884929.db2.gz KSKWAJWKAOHBCS-FLIBITNWSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)c1 ZINC000759121509 575884966 /nfs/dbraw/zinc/88/49/66/575884966.db2.gz PENIQZQNNZYMEK-KTKRTIGZSA-N -1 0 349.346 2.627 20 30 EFEDRM CCCN1c2ccccc2C(=N[N-]c2ncccc2[N+](=O)[O-])C1=O ZINC000759203680 575886892 /nfs/dbraw/zinc/88/68/92/575886892.db2.gz TVPYHOOHUVWBIR-UHFFFAOYSA-N -1 0 325.328 2.563 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CC1 ZINC000759234867 575887411 /nfs/dbraw/zinc/88/74/11/575887411.db2.gz BTAJQOITDPJDKW-CYBMUJFWSA-N -1 0 330.384 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CCCC1 ZINC000759235833 575887425 /nfs/dbraw/zinc/88/74/25/575887425.db2.gz NKYXSAQZAVEKIH-CYBMUJFWSA-N -1 0 330.384 2.890 20 30 EFEDRM C#CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759439772 575891797 /nfs/dbraw/zinc/89/17/97/575891797.db2.gz BOOCDKOIZKYLAD-CYBMUJFWSA-N -1 0 328.368 2.503 20 30 EFEDRM COC(=O)[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(C#N)c1 ZINC000759543302 575897682 /nfs/dbraw/zinc/89/76/82/575897682.db2.gz ZKLMRJIMGWCSDZ-HNNXBMFYSA-N -1 0 347.273 2.613 20 30 EFEDRM COC(=O)c1cccc(COC(=O)c2cc(F)c([O-])c(F)c2)c1C#N ZINC000759545526 575898114 /nfs/dbraw/zinc/89/81/14/575898114.db2.gz XEAAFRRLDRVLDH-UHFFFAOYSA-N -1 0 347.273 2.686 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(-n2cccn2)c1 ZINC000760239836 575994135 /nfs/dbraw/zinc/99/41/35/575994135.db2.gz PQLUJSBLDXLYAB-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(=S)n1-c1ccc(F)cc1)c1ccncn1 ZINC000760346182 576008595 /nfs/dbraw/zinc/00/85/95/576008595.db2.gz QAACSHWQNNMQFZ-GFCCVEGCSA-N -1 0 339.355 2.580 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000761288425 576140765 /nfs/dbraw/zinc/14/07/65/576140765.db2.gz CHRCDTODZOTHER-OAHLLOKOSA-N -1 0 347.367 2.567 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(C(F)(F)F)s2)C(=O)O1 ZINC000761473896 576167530 /nfs/dbraw/zinc/16/75/30/576167530.db2.gz IXPWWXWBFYSPLA-FXMSTWTQSA-N -1 0 330.283 2.995 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc3ccc(F)cc3s2)C(=O)O1 ZINC000761476147 576167932 /nfs/dbraw/zinc/16/79/32/576167932.db2.gz RKUKZJJAODILRU-XVWMLYKFSA-N -1 0 331.324 2.664 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762033679 576246635 /nfs/dbraw/zinc/24/66/35/576246635.db2.gz DNOZIDWRNSYYEI-WBVHZDCISA-N -1 0 326.396 2.572 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762033678 576246704 /nfs/dbraw/zinc/24/67/04/576246704.db2.gz DNOZIDWRNSYYEI-RDJZCZTQSA-N -1 0 326.396 2.572 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000762053692 576249962 /nfs/dbraw/zinc/24/99/62/576249962.db2.gz WIGURWUCLPRSQY-UHFFFAOYSA-N -1 0 333.775 2.547 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OC2CCCC2)c(OC)c1 ZINC000762068550 576252813 /nfs/dbraw/zinc/25/28/13/576252813.db2.gz PSNFUCVFGDYQFK-UHFFFAOYSA-N -1 0 333.384 2.729 20 30 EFEDRM CCc1ccc2c(c1)C(=N[N-]c1nccc(N(CC)CC)n1)C(=O)N2 ZINC000762607423 576317113 /nfs/dbraw/zinc/31/71/13/576317113.db2.gz DQMYGOZNJMBIAM-UHFFFAOYSA-N -1 0 338.415 2.654 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2c3cc(C)cc(F)c3NC2=O)n1 ZINC000762606664 576317185 /nfs/dbraw/zinc/31/71/85/576317185.db2.gz AGNRXPBVAUTCBK-UHFFFAOYSA-N -1 0 342.378 2.539 20 30 EFEDRM CS[C@H](C)CCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000762929809 576348593 /nfs/dbraw/zinc/34/85/93/576348593.db2.gz RLTRPRFQOKZXTD-GHMZBOCLSA-N -1 0 326.443 2.703 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cnn(Cc2ccccc2)c1 ZINC000763367511 576374395 /nfs/dbraw/zinc/37/43/95/576374395.db2.gz BBIHKEXJVSRDCF-UHFFFAOYSA-N -1 0 335.367 2.861 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCC(=O)[O-] ZINC000763367343 576374434 /nfs/dbraw/zinc/37/44/34/576374434.db2.gz BGOJFSPDYJLYIJ-GQCTYLIASA-N -1 0 327.336 2.840 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)OCCCO2 ZINC000763367750 576374462 /nfs/dbraw/zinc/37/44/62/576374462.db2.gz GVUAIAVHGBFQRF-UHFFFAOYSA-N -1 0 327.340 2.777 20 30 EFEDRM CC#CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000764230071 576442622 /nfs/dbraw/zinc/44/26/22/576442622.db2.gz CMQRNPRVCRKDSJ-UHFFFAOYSA-N -1 0 332.356 2.588 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCCc2ccccc2F)c1)C(=O)[O-] ZINC000764722936 576494464 /nfs/dbraw/zinc/49/44/64/576494464.db2.gz OWRSFCLYGQXCBD-ZDUSSCGKSA-N -1 0 330.359 2.844 20 30 EFEDRM O=C([O-])COc1ccc(C=NNCc2cnc3ccccc3c2)cc1 ZINC000764779819 576502557 /nfs/dbraw/zinc/50/25/57/576502557.db2.gz VWLGBLMGOTYWSH-UHFFFAOYSA-N -1 0 335.363 2.822 20 30 EFEDRM COc1cc(CN=Nc2ncnc3ccsc32)cc([N+](=O)[O-])c1[O-] ZINC000764834907 576509842 /nfs/dbraw/zinc/50/98/42/576509842.db2.gz INYWDOYDPPLAFV-UHFFFAOYSA-N -1 0 345.340 2.760 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Cl ZINC000765041114 576540070 /nfs/dbraw/zinc/54/00/70/576540070.db2.gz WXVCVFJHXVQGMS-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM CC#CCCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000765409417 577039132 /nfs/dbraw/zinc/03/91/32/577039132.db2.gz MMOWBAFOZMKUAW-UHFFFAOYSA-N -1 0 331.393 2.782 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNCCCOc3ccccc3)[nH]nc2c1 ZINC000765578340 577055948 /nfs/dbraw/zinc/05/59/48/577055948.db2.gz YIXYFVBOKRNXPB-UHFFFAOYSA-N -1 0 338.367 2.654 20 30 EFEDRM COC(=O)COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC000765827726 577080997 /nfs/dbraw/zinc/08/09/97/577080997.db2.gz XWAAPFXGAXMKCD-VOTSOKGWSA-N -1 0 346.360 2.894 20 30 EFEDRM O=C([O-])c1cccc(NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000765993357 577096649 /nfs/dbraw/zinc/09/66/49/577096649.db2.gz VYKXYDDPLNBMQX-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000766048563 577101644 /nfs/dbraw/zinc/10/16/44/577101644.db2.gz UHCMJPRYPSUFQW-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnn1C1CCCC1 ZINC000766257725 577128419 /nfs/dbraw/zinc/12/84/19/577128419.db2.gz NTHNUOVAPSYBIV-OAHLLOKOSA-N -1 0 328.416 2.770 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C2CC2)cc1OC ZINC000766913287 577187696 /nfs/dbraw/zinc/18/76/96/577187696.db2.gz IYIWAOCEKNPTCM-WEVVVXLNSA-N -1 0 345.395 2.739 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000766987421 577190911 /nfs/dbraw/zinc/19/09/11/577190911.db2.gz ZIUISXWQQUBQRX-UHFFFAOYSA-N -1 0 338.429 2.588 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000737991477 577230005 /nfs/dbraw/zinc/23/00/05/577230005.db2.gz LIEPIUQDIMWAMF-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM O=c1[nH]c2ccccc2cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725858887 577253353 /nfs/dbraw/zinc/25/33/53/577253353.db2.gz IAHGHHLRQVWCJH-UHFFFAOYSA-N -1 0 348.387 2.821 20 30 EFEDRM CCOc1ccc(O)c(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000725858848 577253377 /nfs/dbraw/zinc/25/33/77/577253377.db2.gz HGQZVXZCTUEDAZ-UHFFFAOYSA-N -1 0 341.392 2.672 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnc2ccccc2n1 ZINC000725859520 577253554 /nfs/dbraw/zinc/25/35/54/577253554.db2.gz PZLTYYLYEKYDEB-UHFFFAOYSA-N -1 0 333.376 2.511 20 30 EFEDRM N#C[C@H](NC(=O)CCCNC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739073578 577264050 /nfs/dbraw/zinc/26/40/50/577264050.db2.gz DNXODJFDLPNSBF-JTQLQIEISA-N -1 0 330.171 2.722 20 30 EFEDRM N#C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000739074711 577265977 /nfs/dbraw/zinc/26/59/77/577265977.db2.gz LLVYMAWYGIXCCS-CYBMUJFWSA-N -1 0 349.268 2.793 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000739077130 577267932 /nfs/dbraw/zinc/26/79/32/577267932.db2.gz IPDMPMKQUCBKQL-GHMZBOCLSA-N -1 0 327.167 2.534 20 30 EFEDRM N#Cc1ccc(OCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739128441 577283645 /nfs/dbraw/zinc/28/36/45/577283645.db2.gz DOOVLEYLCZWSIA-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000739139397 577284704 /nfs/dbraw/zinc/28/47/04/577284704.db2.gz GJHTWEBUGOTVFL-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000739173375 577290224 /nfs/dbraw/zinc/29/02/24/577290224.db2.gz AADKPQDTJZCCKI-UHFFFAOYSA-N -1 0 328.821 2.843 20 30 EFEDRM CC(=O)N1CCc2c1cccc2N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000768753456 577298692 /nfs/dbraw/zinc/29/86/92/577298692.db2.gz UUDVSERBWFYGGV-UHFFFAOYSA-N -1 0 325.324 2.960 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000739193137 577305289 /nfs/dbraw/zinc/30/52/89/577305289.db2.gz YQLXAUFDLROEEU-UHFFFAOYSA-N -1 0 327.405 2.556 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](F)c2ccccc2)n1 ZINC000769170424 577341324 /nfs/dbraw/zinc/34/13/24/577341324.db2.gz XTOLMNMUNKNSSY-GXTWGEPZSA-N -1 0 332.356 2.882 20 30 EFEDRM C[C@@H](Oc1cccc(C=NN2CCc3ccccc3C2=O)c1)C(=O)[O-] ZINC000769597449 577374034 /nfs/dbraw/zinc/37/40/34/577374034.db2.gz IJSRUUXAKDWPFF-CYBMUJFWSA-N -1 0 338.363 2.571 20 30 EFEDRM CCOC(=O)C1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769717806 577380910 /nfs/dbraw/zinc/38/09/10/577380910.db2.gz CBZZCHLBNOHTAP-APSNUPSMSA-N -1 0 326.736 2.716 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(F)F)cc2)cc1 ZINC000726729451 577382046 /nfs/dbraw/zinc/38/20/46/577382046.db2.gz XGUPOOMPUYYOBD-UHFFFAOYSA-N -1 0 336.319 2.615 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21 ZINC000726733080 577382210 /nfs/dbraw/zinc/38/22/10/577382210.db2.gz PKNUETICHGFERG-OAHLLOKOSA-N -1 0 326.400 2.890 20 30 EFEDRM O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)no2)cc1[O-] ZINC000726738312 577382300 /nfs/dbraw/zinc/38/23/00/577382300.db2.gz PAYSEOXKJOOLST-UHFFFAOYSA-N -1 0 325.284 2.796 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2nc(-c3ccccc3)no2)cc1 ZINC000726739104 577383210 /nfs/dbraw/zinc/38/32/10/577383210.db2.gz CQYKVGAGCBIVLG-UHFFFAOYSA-N -1 0 338.323 2.646 20 30 EFEDRM N#Cc1ccc(CNN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)cc1 ZINC000769816961 577387610 /nfs/dbraw/zinc/38/76/10/577387610.db2.gz YLQIIDDITSXPNA-UHFFFAOYSA-N -1 0 345.305 2.738 20 30 EFEDRM O=C([O-])COc1ccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000769828486 577388087 /nfs/dbraw/zinc/38/80/87/577388087.db2.gz IOAXXXCLFGDCLY-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738319478 577394666 /nfs/dbraw/zinc/39/46/66/577394666.db2.gz MDRRVAFLKNYGDL-LBPRGKRZSA-N -1 0 339.395 2.759 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nn1C(C)(C)C ZINC000738347632 577405990 /nfs/dbraw/zinc/40/59/90/577405990.db2.gz QUDFCIKDHQAKFS-OAHLLOKOSA-N -1 0 341.367 2.801 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNCc2ccc(F)cc2F)c1 ZINC000727060197 577432254 /nfs/dbraw/zinc/43/22/54/577432254.db2.gz IMAFFJCUMRNSHY-UHFFFAOYSA-N -1 0 334.322 2.942 20 30 EFEDRM Cc1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)c1 ZINC000770866523 581143441 /nfs/dbraw/zinc/14/34/41/581143441.db2.gz RKQBZYZVYAIKDG-CYBMUJFWSA-N -1 0 327.409 2.721 20 30 EFEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770869150 581143762 /nfs/dbraw/zinc/14/37/62/581143762.db2.gz RIGWCBWDERDPBX-JTQLQIEISA-N -1 0 340.364 2.650 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnccc2Cl)n1 ZINC000771064585 581170437 /nfs/dbraw/zinc/17/04/37/581170437.db2.gz MUCRTKFHANJNLJ-SECBINFHSA-N -1 0 335.772 2.533 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnccc2Cl)n1 ZINC000771064588 581170447 /nfs/dbraw/zinc/17/04/47/581170447.db2.gz MUCRTKFHANJNLJ-VIFPVBQESA-N -1 0 335.772 2.533 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000771073985 581171594 /nfs/dbraw/zinc/17/15/94/581171594.db2.gz IEAZVKRYPCNBIO-UHFFFAOYSA-N -1 0 347.223 2.747 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771073928 581171623 /nfs/dbraw/zinc/17/16/23/581171623.db2.gz HOLVOVFDTAIOEZ-OAHLLOKOSA-N -1 0 334.441 2.710 20 30 EFEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC(C)(C)C1 ZINC000771074210 581171667 /nfs/dbraw/zinc/17/16/67/581171667.db2.gz AKXBUNVQVCJURP-KGLIPLIRSA-N -1 0 340.489 2.979 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771075908 581171974 /nfs/dbraw/zinc/17/19/74/581171974.db2.gz KHPKRHVNCYRMAN-CQSZACIVSA-N -1 0 334.441 2.710 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCC2CCCCC2)CCC1 ZINC000771075775 581172012 /nfs/dbraw/zinc/17/20/12/581172012.db2.gz CLSSVCNNHHJMQK-UHFFFAOYSA-N -1 0 326.462 2.877 20 30 EFEDRM CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771080660 581172763 /nfs/dbraw/zinc/17/27/63/581172763.db2.gz MQHWNXFHHNGNCH-UHFFFAOYSA-N -1 0 348.468 2.666 20 30 EFEDRM Cn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1Cc1ccccc1 ZINC000772432521 581322373 /nfs/dbraw/zinc/32/23/73/581322373.db2.gz IBJFPUUDHIRWGY-UHFFFAOYSA-N -1 0 332.363 2.840 20 30 EFEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000772682618 581355402 /nfs/dbraw/zinc/35/54/02/581355402.db2.gz YJZIXKXNSADSOY-CQSZACIVSA-N -1 0 347.378 2.632 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000772710000 581358465 /nfs/dbraw/zinc/35/84/65/581358465.db2.gz LLLNSOBHPJAPRM-UHFFFAOYSA-N -1 0 337.441 2.891 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000772722761 581359824 /nfs/dbraw/zinc/35/98/24/581359824.db2.gz CWSIELZZLVFKPM-UHFFFAOYSA-N -1 0 332.425 2.648 20 30 EFEDRM COc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)ccc1C ZINC000773032459 581389465 /nfs/dbraw/zinc/38/94/65/581389465.db2.gz LTXKNJBMHPHFKL-UHFFFAOYSA-N -1 0 325.393 2.884 20 30 EFEDRM COc1cc(C=NNc2nccnc2C(C)C)cc([N+](=O)[O-])c1[O-] ZINC000773091119 581395908 /nfs/dbraw/zinc/39/59/08/581395908.db2.gz NNBLASYPGQUDBR-UHFFFAOYSA-N -1 0 331.332 2.668 20 30 EFEDRM CC(C)c1nccnc1N=NCc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000773091008 581396054 /nfs/dbraw/zinc/39/60/54/581396054.db2.gz LWFLGGOJAAVSLO-LBPRGKRZSA-N -1 0 328.372 2.898 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)c1)C(=O)[O-] ZINC000773158171 581401585 /nfs/dbraw/zinc/40/15/85/581401585.db2.gz ACQWOQATZPZGIL-OUZNOSRWSA-N -1 0 334.331 2.903 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C)c3C#N)n[nH]2)o1 ZINC000773278302 581413261 /nfs/dbraw/zinc/41/32/61/581413261.db2.gz BVZKOQHPMDUGNQ-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2nc(C)c(C)s2)n1 ZINC000773511454 581438930 /nfs/dbraw/zinc/43/89/30/581438930.db2.gz LOSOHVZBTOIOKT-JTQLQIEISA-N -1 0 335.410 2.558 20 30 EFEDRM C#CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000773760054 581462404 /nfs/dbraw/zinc/46/24/04/581462404.db2.gz HURBZYASLJQLDK-AWEZNQCLSA-N -1 0 342.395 2.893 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccn1[C@@H](C)Cc1ccccc1 ZINC000773770870 581463395 /nfs/dbraw/zinc/46/33/95/581463395.db2.gz PQFHKXCIEHIWBZ-DOTOQJQBSA-N -1 0 335.407 2.916 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)sn1 ZINC000774051099 581480541 /nfs/dbraw/zinc/48/05/41/581480541.db2.gz HQWWTDNOPDWHKA-NSHDSACASA-N -1 0 329.381 2.811 20 30 EFEDRM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000774073974 581481795 /nfs/dbraw/zinc/48/17/95/581481795.db2.gz ZHYZGFQTBFWLFK-SWLSCSKDSA-N -1 0 340.832 2.699 20 30 EFEDRM COC(=O)c1coc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000774125876 581484620 /nfs/dbraw/zinc/48/46/20/581484620.db2.gz CQHXFHGIYOAGOK-JMEBYUIHSA-N -1 0 344.319 2.814 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)sc1C ZINC000774259714 581488254 /nfs/dbraw/zinc/48/82/54/581488254.db2.gz KLASBYZFOWEIBM-LBPRGKRZSA-N -1 0 349.362 2.677 20 30 EFEDRM COc1ccc(C)cc1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737974956 581506741 /nfs/dbraw/zinc/50/67/41/581506741.db2.gz ADDZQICXXJUQTQ-SFHVURJKSA-N -1 0 339.347 2.787 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C12CCC2 ZINC000736612585 599032289 /nfs/dbraw/zinc/03/22/89/599032289.db2.gz AGNJVCAKNSIWHV-LLVKDONJSA-N -1 0 345.407 2.725 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CCC(C(=O)[O-])CC2)c1=S ZINC000738503068 596913327 /nfs/dbraw/zinc/91/33/27/596913327.db2.gz MDBPXHKJAHJVEJ-UHFFFAOYSA-N -1 0 348.428 2.614 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000818435716 596985244 /nfs/dbraw/zinc/98/52/44/596985244.db2.gz ZVXOOAQGPUSTLS-UHFFFAOYSA-N -1 0 340.339 2.684 20 30 EFEDRM CC(C)[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000817948167 597185097 /nfs/dbraw/zinc/18/50/97/597185097.db2.gz OWBBZIABUGCMMD-MRXNPFEDSA-N -1 0 342.351 2.569 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819090955 597263988 /nfs/dbraw/zinc/26/39/88/597263988.db2.gz MKNSYFMUIRTRLK-UHFFFAOYSA-N -1 0 327.340 2.854 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000819100670 597318598 /nfs/dbraw/zinc/31/85/98/597318598.db2.gz YYRUTFDFRBOTOY-GOSISDBHSA-N -1 0 349.390 2.793 20 30 EFEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000817762797 597461717 /nfs/dbraw/zinc/46/17/17/597461717.db2.gz ZXVSPQUDAODIFI-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000817762281 597465308 /nfs/dbraw/zinc/46/53/08/597465308.db2.gz FCIJMVKOMLWXCG-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(Br)cc1F ZINC000819847841 597603405 /nfs/dbraw/zinc/60/34/05/597603405.db2.gz PISJILMPKSSADJ-GFCCVEGCSA-N -1 0 347.115 2.670 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000819822476 597605724 /nfs/dbraw/zinc/60/57/24/597605724.db2.gz OCGFBSJZCUPZBN-QMTHXVAHSA-N -1 0 340.166 2.679 20 30 EFEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819821376 597605833 /nfs/dbraw/zinc/60/58/33/597605833.db2.gz FKICUSJEZMZZQC-KBXCAEBGSA-N -1 0 327.384 2.670 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000819832329 597607238 /nfs/dbraw/zinc/60/72/38/597607238.db2.gz AXMAGRKDBAWURD-DJJJIMSYSA-N -1 0 328.412 2.962 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000819847086 597608900 /nfs/dbraw/zinc/60/89/00/597608900.db2.gz JWQVSKHMSVCACK-IBGZPJMESA-N -1 0 348.362 2.969 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1-c1ccccc1Cl ZINC000821008414 597610404 /nfs/dbraw/zinc/61/04/04/597610404.db2.gz FSBMIRCWVXRCCG-INIZCTEOSA-N -1 0 346.774 2.777 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccccc2F)n1 ZINC000819875465 597611663 /nfs/dbraw/zinc/61/16/63/597611663.db2.gz XGVDUYQAADGDSF-INIZCTEOSA-N -1 0 348.355 2.997 20 30 EFEDRM Cc1cc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)c(C)c1C ZINC000820954254 597613303 /nfs/dbraw/zinc/61/33/03/597613303.db2.gz WLXHRFQCFFJQDY-GOSISDBHSA-N -1 0 331.368 2.651 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc2ccccc2nc1Cl ZINC000819874633 597615390 /nfs/dbraw/zinc/61/53/90/597615390.db2.gz NSNJTDHFEOCANK-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Cl)c2cccnc12 ZINC000819874245 597621796 /nfs/dbraw/zinc/62/17/96/597621796.db2.gz JPVDQSOCCIZSJE-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2cccs2)n1 ZINC000819875439 597623524 /nfs/dbraw/zinc/62/35/24/597623524.db2.gz WZMHISYPCVRCNX-CQSZACIVSA-N -1 0 336.394 2.919 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1ccc(Cl)cc1Cl ZINC000819866770 597624575 /nfs/dbraw/zinc/62/45/75/597624575.db2.gz ZTYXQIQNCZCMOH-AWEZNQCLSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000819874887 597624850 /nfs/dbraw/zinc/62/48/50/597624850.db2.gz SELILRPWCWMGMK-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(F)c2)n1 ZINC000819873744 597624866 /nfs/dbraw/zinc/62/48/66/597624866.db2.gz CPYUXQMPWKWZSU-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1ccc(Cl)cc1Cl ZINC000819866772 597624870 /nfs/dbraw/zinc/62/48/70/597624870.db2.gz ZTYXQIQNCZCMOH-CQSZACIVSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000819811741 597632733 /nfs/dbraw/zinc/63/27/33/597632733.db2.gz VOXJOTIASKYURQ-XIKOKIGWSA-N -1 0 341.367 2.538 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000819811970 597635696 /nfs/dbraw/zinc/63/56/96/597635696.db2.gz YBVUXXXAVOXOEC-SFHVURJKSA-N -1 0 332.375 2.611 20 30 EFEDRM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820574439 597641672 /nfs/dbraw/zinc/64/16/72/597641672.db2.gz ZRMINNMZRLCEAU-IEZWGBDMSA-N -1 0 344.411 2.617 20 30 EFEDRM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820574442 597641696 /nfs/dbraw/zinc/64/16/96/597641696.db2.gz ZRMINNMZRLCEAU-WDYCEAGBSA-N -1 0 344.411 2.617 20 30 EFEDRM CC1CCN(c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)CC1 ZINC000820238249 597646203 /nfs/dbraw/zinc/64/62/03/597646203.db2.gz LQOBFTVTPAXRCD-LJQANCHMSA-N -1 0 343.427 2.544 20 30 EFEDRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2 ZINC000819821566 597672923 /nfs/dbraw/zinc/67/29/23/597672923.db2.gz IKGPCKIHSUEEIC-IBGZPJMESA-N -1 0 328.412 2.873 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000819857116 597720382 /nfs/dbraw/zinc/72/03/82/597720382.db2.gz RSLXCWZXCNQVSU-LBPRGKRZSA-N -1 0 345.233 2.557 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000821324655 598049174 /nfs/dbraw/zinc/04/91/74/598049174.db2.gz KSZLBYIHRSCYGL-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000821340616 598145751 /nfs/dbraw/zinc/14/57/51/598145751.db2.gz QYAPGNSKMKKJGG-UHFFFAOYSA-N -1 0 349.390 2.655 20 30 EFEDRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000821512079 598206930 /nfs/dbraw/zinc/20/69/30/598206930.db2.gz XQYIAWQUCLNBOO-QGZVFWFLSA-N -1 0 335.363 2.562 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000819857139 598222022 /nfs/dbraw/zinc/22/20/22/598222022.db2.gz SDGOSLLLUZPYPQ-GOSISDBHSA-N -1 0 340.383 2.706 20 30 EFEDRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602312 598222163 /nfs/dbraw/zinc/22/21/63/598222163.db2.gz ZFIGKZGLAINWCR-AWEZNQCLSA-N -1 0 329.183 2.956 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819713263 598222297 /nfs/dbraw/zinc/22/22/97/598222297.db2.gz FRKWGPYWFCETJP-CQSZACIVSA-N -1 0 326.805 2.921 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC000820115607 598222505 /nfs/dbraw/zinc/22/25/05/598222505.db2.gz XWPZPTWUDLSGFO-OTYXRUKQSA-N -1 0 339.189 2.631 20 30 EFEDRM Cc1cc(C)n(-c2ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000820972595 598222815 /nfs/dbraw/zinc/22/28/15/598222815.db2.gz QENSDTHILKBRKQ-SFHVURJKSA-N -1 0 341.367 2.537 20 30 EFEDRM COc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OC1CCCC1 ZINC000820841567 598223503 /nfs/dbraw/zinc/22/35/03/598223503.db2.gz ZUFRQNCRXOFIIO-GOSISDBHSA-N -1 0 346.383 2.960 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819976794 598223636 /nfs/dbraw/zinc/22/36/36/598223636.db2.gz DGXQTCABTMZZRU-SFHVURJKSA-N -1 0 327.384 2.547 20 30 EFEDRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820597556 598224545 /nfs/dbraw/zinc/22/45/45/598224545.db2.gz XIHLYFFSLHEVCH-AWEZNQCLSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000820115669 598225073 /nfs/dbraw/zinc/22/50/73/598225073.db2.gz ZAPTYTIBBUAMLJ-XPTSAGLGSA-N -1 0 328.290 2.887 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1F ZINC000820517648 598225137 /nfs/dbraw/zinc/22/51/37/598225137.db2.gz MQEUSAYMUKUZKO-ZDUSSCGKSA-N -1 0 343.152 2.556 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000819833263 598225475 /nfs/dbraw/zinc/22/54/75/598225475.db2.gz FQYCAWYLMPAZJQ-IAQYHMDHSA-N -1 0 338.816 2.998 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000819811474 598225679 /nfs/dbraw/zinc/22/56/79/598225679.db2.gz PJEFWXFVCCAKMN-KRWDZBQOSA-N -1 0 330.359 2.989 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000819865051 598225867 /nfs/dbraw/zinc/22/58/67/598225867.db2.gz GORAZRHNHYWBBT-CYBMUJFWSA-N -1 0 325.296 2.518 20 30 EFEDRM Cc1c(Br)cccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820934139 598226449 /nfs/dbraw/zinc/22/64/49/598226449.db2.gz FFFLMFTUJIDMDS-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819874748 598226998 /nfs/dbraw/zinc/22/69/98/598226998.db2.gz QEECTZWGYJGNFQ-MEDUHNTESA-N -1 0 331.397 2.881 20 30 EFEDRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821088209 598227559 /nfs/dbraw/zinc/22/75/59/598227559.db2.gz QOWFIBXROREJAA-SFHVURJKSA-N -1 0 345.399 2.923 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000819834302 598227630 /nfs/dbraw/zinc/22/76/30/598227630.db2.gz MYECOAMBGYRWPZ-APWZRJJASA-N -1 0 344.411 2.591 20 30 EFEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000820160949 598227672 /nfs/dbraw/zinc/22/76/72/598227672.db2.gz KULZHEKCYKGTDZ-RFAUZJTJSA-N -1 0 327.283 2.897 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(OC(F)(F)F)c1 ZINC000819873849 598229147 /nfs/dbraw/zinc/22/91/47/598229147.db2.gz DTCQMHBCXQIVFR-CYBMUJFWSA-N -1 0 331.246 2.633 20 30 EFEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC000820160443 598229804 /nfs/dbraw/zinc/22/98/04/598229804.db2.gz DPOQTNPDJQBJQG-JDNHERCYSA-N -1 0 349.774 2.835 20 30 EFEDRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820266864 598230148 /nfs/dbraw/zinc/23/01/48/598230148.db2.gz WGBVKLYKMYVNGW-SCLBCKFNSA-N -1 0 332.400 2.793 20 30 EFEDRM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602304 598230265 /nfs/dbraw/zinc/23/02/65/598230265.db2.gz YHNZYDWWGDUMRQ-AWEZNQCLSA-N -1 0 344.289 2.548 20 30 EFEDRM Cc1coc(-c2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2C)n1 ZINC000821146712 598230792 /nfs/dbraw/zinc/23/07/92/598230792.db2.gz ASIUXPAGXUDJFT-QGZVFWFLSA-N -1 0 327.340 2.902 20 30 EFEDRM C[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000736696101 599730482 /nfs/dbraw/zinc/73/04/82/599730482.db2.gz HGHUAAQUFCKPHM-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000738313986 599734271 /nfs/dbraw/zinc/73/42/71/599734271.db2.gz ROJSRNDBILWSDS-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCOCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736109307 599748246 /nfs/dbraw/zinc/74/82/46/599748246.db2.gz GVNSNMNLVIUULZ-CYBMUJFWSA-N -1 0 344.367 2.665 20 30 EFEDRM C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000736605325 599781400 /nfs/dbraw/zinc/78/14/00/599781400.db2.gz AOYOXSJKYPXFFD-ZDUSSCGKSA-N -1 0 338.363 2.588 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738425630 599789441 /nfs/dbraw/zinc/78/94/41/599789441.db2.gz IOLCMALIZYKAGL-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890416 599798354 /nfs/dbraw/zinc/79/83/54/599798354.db2.gz APHBDLJVDITYHT-IUODEOHRSA-N -1 0 345.399 2.895 20 30 EFEDRM N#C[C@H](C(=O)CCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739074085 599798716 /nfs/dbraw/zinc/79/87/16/599798716.db2.gz GWUBNNPJHZKQAP-SECBINFHSA-N -1 0 336.298 2.655 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1NC(C)=O ZINC000737919713 599802023 /nfs/dbraw/zinc/80/20/23/599802023.db2.gz BELULPHTJJOJGZ-XQRVVYSFSA-N -1 0 329.308 2.841 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1NC(C)=O ZINC000737920518 599802044 /nfs/dbraw/zinc/80/20/44/599802044.db2.gz MFENLXWZZVJPTN-HYXAFXHYSA-N -1 0 329.308 2.841 20 30 EFEDRM CC(C)[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736385236 599803598 /nfs/dbraw/zinc/80/35/98/599803598.db2.gz OPONYABIKSFHIT-MRXNPFEDSA-N -1 0 342.351 2.569 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCc2cc(C(=O)[O-])co2)n1 ZINC000737153960 599803724 /nfs/dbraw/zinc/80/37/24/599803724.db2.gz JKCHESDAUVDQET-UHFFFAOYSA-N -1 0 332.337 2.713 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccsc1C(=O)[O-] ZINC000738230249 599804855 /nfs/dbraw/zinc/80/48/55/599804855.db2.gz PHEWJTCPOBEHSW-UHFFFAOYSA-N -1 0 345.380 2.607 20 30 EFEDRM C#CCOc1ccc(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)cc1 ZINC000736089258 599833828 /nfs/dbraw/zinc/83/38/28/599833828.db2.gz IUMUODLUNANZCM-UHFFFAOYSA-N -1 0 326.352 2.848 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000739123041 599839831 /nfs/dbraw/zinc/83/98/31/599839831.db2.gz LUMUILFKCFZQGH-OAHLLOKOSA-N -1 0 340.335 2.562 20 30 EFEDRM Cc1nc(NC(=O)c2cc3ccccc3n2CC#N)sc1C(=O)[O-] ZINC000738360813 599839960 /nfs/dbraw/zinc/83/99/60/599839960.db2.gz MUVVOZZFSZQMLQ-UHFFFAOYSA-N -1 0 340.364 2.880 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000738425989 599844409 /nfs/dbraw/zinc/84/44/09/599844409.db2.gz RAEDYCIJDKJQPH-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc(F)c(C)c1 ZINC000736124419 599851123 /nfs/dbraw/zinc/85/11/23/599851123.db2.gz CEJUGKFMZNPDDG-HNNXBMFYSA-N -1 0 346.358 2.538 20 30 EFEDRM COc1ccc(C/N=C2/NN=C(c3cc(C(=O)[O-])co3)CS2)cc1 ZINC000738008394 599857643 /nfs/dbraw/zinc/85/76/43/599857643.db2.gz JFFKHLDWPIRWCW-UHFFFAOYSA-N -1 0 345.380 2.583 20 30 EFEDRM C#Cc1cccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c1 ZINC000736095037 599858686 /nfs/dbraw/zinc/85/86/86/599858686.db2.gz FWOGKHZWEICDON-UHFFFAOYSA-N -1 0 325.349 2.687 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)[O-] ZINC000736095022 599867632 /nfs/dbraw/zinc/86/76/32/599867632.db2.gz FBJNLGBUZXVCID-GFCCVEGCSA-N -1 0 334.372 2.746 20 30 EFEDRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000738327733 599868552 /nfs/dbraw/zinc/86/85/52/599868552.db2.gz NVDJTIVSXKZXDE-HNNXBMFYSA-N -1 0 337.379 2.513 20 30 EFEDRM CCOc1cccc(/C=N/CCOc2ccc(C(=O)[O-])cc2)c1O ZINC000737211811 599886437 /nfs/dbraw/zinc/88/64/37/599886437.db2.gz WOVWDALJOMAJKM-XDHOZWIPSA-N -1 0 329.352 2.987 20 30 EFEDRM O=C([O-])CSCc1cccc(N=Cc2ccc(O)c(O)c2O)c1 ZINC000739868957 599891422 /nfs/dbraw/zinc/89/14/22/599891422.db2.gz VYPJKHANJSNBHT-UHFFFAOYSA-N -1 0 333.365 2.872 20 30 EFEDRM Cc1cc(NCCSCC(=O)[O-])n2c3ccccc3nc2c1C#N ZINC000738461727 599893416 /nfs/dbraw/zinc/89/34/16/599893416.db2.gz WZWKSXRJAFUKSS-UHFFFAOYSA-N -1 0 340.408 2.897 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccccc2-n2cncn2)cc1 ZINC000739818761 599907914 /nfs/dbraw/zinc/90/79/14/599907914.db2.gz BYVNXTYVBXYEQR-YFHOEESVSA-N -1 0 349.346 2.627 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000739132214 599912400 /nfs/dbraw/zinc/91/24/00/599912400.db2.gz GXXVUPNVMZCFTB-AWEZNQCLSA-N -1 0 332.406 2.654 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000237051712 599925272 /nfs/dbraw/zinc/92/52/72/599925272.db2.gz RKFGPTJDGXQURF-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC000738276854 599930268 /nfs/dbraw/zinc/93/02/68/599930268.db2.gz DEXIHYFGPZYPMI-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM N#Cc1ccc(NCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739121490 599952181 /nfs/dbraw/zinc/95/21/81/599952181.db2.gz SLTPXIMSYSJXIJ-QGZVFWFLSA-N -1 0 337.379 2.692 20 30 EFEDRM N#CCc1ccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000739091654 599954147 /nfs/dbraw/zinc/95/41/47/599954147.db2.gz HNNKTKNTNKVVTB-UHFFFAOYSA-N -1 0 339.351 2.651 20 30 EFEDRM N#Cc1ccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739121041 599982628 /nfs/dbraw/zinc/98/26/28/599982628.db2.gz JWTRIIHPSKHYQQ-CQSZACIVSA-N -1 0 341.342 2.762 20 30 EFEDRM CCCCN1C(=O)N[C@@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736993985 599983887 /nfs/dbraw/zinc/98/38/87/599983887.db2.gz MTPBXUJLQTTXNT-INIZCTEOSA-N -1 0 343.383 2.814 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)Nc2cccc(C#N)c2)C(=O)[O-])c1 ZINC000738707042 600009400 /nfs/dbraw/zinc/00/94/00/600009400.db2.gz BWAYFDCWBIZDGL-INIZCTEOSA-N -1 0 337.379 2.932 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000737012339 600024503 /nfs/dbraw/zinc/02/45/03/600024503.db2.gz PPSDWRXLZLUFLR-UHFFFAOYSA-N -1 0 339.395 2.903 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1 ZINC000737226203 600029536 /nfs/dbraw/zinc/02/95/36/600029536.db2.gz DOLZMWMLKMPBBL-YVMONPNESA-N -1 0 349.364 2.636 20 30 EFEDRM N#CCOc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000739086682 600033544 /nfs/dbraw/zinc/03/35/44/600033544.db2.gz BQFSULZPLKMQOH-RUDMXATFSA-N -1 0 337.331 2.948 20 30 EFEDRM C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000736605930 600060010 /nfs/dbraw/zinc/06/00/10/600060010.db2.gz VOISFXXAFQFPEO-LLVKDONJSA-N -1 0 342.326 2.940 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cn1 ZINC000736092122 600061307 /nfs/dbraw/zinc/06/13/07/600061307.db2.gz CDUUJDRYMSKNIB-UHFFFAOYSA-N -1 0 335.363 2.614 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cn1 ZINC000736093740 600063292 /nfs/dbraw/zinc/06/32/92/600063292.db2.gz ZJQAPVFDCQGSRQ-INIZCTEOSA-N -1 0 340.404 2.731 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739076368 600069856 /nfs/dbraw/zinc/06/98/56/600069856.db2.gz VRWUDCOIWULFRH-UHFFFAOYSA-N -1 0 337.379 2.655 20 30 EFEDRM CCc1[nH]c(C(=O)N(CCC#N)Cc2ccccn2)c(C)c1C(=O)[O-] ZINC000737240234 600075259 /nfs/dbraw/zinc/07/52/59/600075259.db2.gz FWOZXSQUMDXMBW-UHFFFAOYSA-N -1 0 340.383 2.535 20 30 EFEDRM O=C([O-])c1cc(F)ccc1CON=CC(=O)Nc1cccc(F)c1 ZINC000739216363 600080981 /nfs/dbraw/zinc/08/09/81/600080981.db2.gz LRXQMDURCKABSX-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM N#CCOc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000739088170 600114112 /nfs/dbraw/zinc/11/41/12/600114112.db2.gz PQQSEXFPYNHXAS-UHFFFAOYSA-N -1 0 337.335 2.835 20 30 EFEDRM N#CC1(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)CCCCC1 ZINC000739066865 600127767 /nfs/dbraw/zinc/12/77/67/600127767.db2.gz SXXCKVCFWVPDHW-UHFFFAOYSA-N -1 0 334.351 2.670 20 30 EFEDRM CC[C@@](NC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907747 600134093 /nfs/dbraw/zinc/13/40/93/600134093.db2.gz RYUKOXJYELYENM-FQEVSTJZSA-N -1 0 336.391 2.997 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)c2ccc(C(=O)[O-])cc2)cc1 ZINC000738652142 600146798 /nfs/dbraw/zinc/14/67/98/600146798.db2.gz FRUNDUBYLYZHEX-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000738554230 600165903 /nfs/dbraw/zinc/16/59/03/600165903.db2.gz LAHOBKNDCFNEET-SFHVURJKSA-N -1 0 336.391 2.784 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1OC ZINC000736114634 600168835 /nfs/dbraw/zinc/16/88/35/600168835.db2.gz ZJZNNKJBDYAFTF-UHFFFAOYSA-N -1 0 330.340 2.847 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cccnc1 ZINC000736114106 600191082 /nfs/dbraw/zinc/19/10/82/600191082.db2.gz GTGQVEFSLWXLSY-UHFFFAOYSA-N -1 0 327.336 2.665 20 30 EFEDRM N#CCn1c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC000739092724 600215298 /nfs/dbraw/zinc/21/52/98/600215298.db2.gz VMKPZNQLMRBSBE-HNNXBMFYSA-N -1 0 345.358 2.993 20 30 EFEDRM Cc1cc(N)cc(C)c1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000826269266 607783528 /nfs/dbraw/zinc/78/35/28/607783528.db2.gz GQFFSVVRSLFHFA-UHFFFAOYSA-N -1 0 340.391 2.623 20 30 EFEDRM N#CCOc1ccc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000739086944 600246151 /nfs/dbraw/zinc/24/61/51/600246151.db2.gz DVGKSDSGWWFLQA-UHFFFAOYSA-N -1 0 335.319 2.928 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccccc1OCC#N ZINC000738087810 600250282 /nfs/dbraw/zinc/25/02/82/600250282.db2.gz DYOQDQGZAHIHHW-UHFFFAOYSA-N -1 0 327.292 2.515 20 30 EFEDRM C#CCN(Cc1noc(CCCC(=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000736080329 600290305 /nfs/dbraw/zinc/29/03/05/600290305.db2.gz UEFCGHVZLQNSJB-INIZCTEOSA-N -1 0 339.395 2.600 20 30 EFEDRM CN(Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737486883 600315370 /nfs/dbraw/zinc/31/53/70/600315370.db2.gz XYRWEIDELHCIFS-UHFFFAOYSA-N -1 0 338.367 2.719 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736306845 600316226 /nfs/dbraw/zinc/31/62/26/600316226.db2.gz VBRMVHHHGYMBDC-CYBMUJFWSA-N -1 0 344.415 2.833 20 30 EFEDRM N#Cc1ccc(NCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739121926 600327645 /nfs/dbraw/zinc/32/76/45/600327645.db2.gz ZWZKRQAVWDOLNZ-INIZCTEOSA-N -1 0 344.754 2.993 20 30 EFEDRM CN(CCCC(=O)OCc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000737433214 600333249 /nfs/dbraw/zinc/33/32/49/600333249.db2.gz GZBDUDIPYNCOFZ-UHFFFAOYSA-N -1 0 340.763 2.676 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000739085500 600401368 /nfs/dbraw/zinc/40/13/68/600401368.db2.gz ARXKSQIIRBANFA-UHFFFAOYSA-N -1 0 346.289 2.807 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(Br)cc2ccccc21 ZINC000739078195 600406003 /nfs/dbraw/zinc/40/60/03/600406003.db2.gz BNKPKRQPZYRXRE-UHFFFAOYSA-N -1 0 347.168 2.653 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CSCc1ccc(Cl)cc1Cl ZINC000739079324 600409155 /nfs/dbraw/zinc/40/91/55/600409155.db2.gz WAVINXGOEYRZAC-UHFFFAOYSA-N -1 0 347.223 2.663 20 30 EFEDRM Cc1ccc(OC(=O)Cc2ccc(OCC#N)cc2)c(C(=O)[O-])c1 ZINC000738638315 600422048 /nfs/dbraw/zinc/42/20/48/600422048.db2.gz FYHAWZSBSIEFIX-UHFFFAOYSA-N -1 0 325.320 2.744 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC000736109569 600446949 /nfs/dbraw/zinc/44/69/49/600446949.db2.gz PRFUWJGMCLMSJW-GFCCVEGCSA-N -1 0 336.344 2.863 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739086679 600456722 /nfs/dbraw/zinc/45/67/22/600456722.db2.gz BQEHDYIYBHFBCU-QGZVFWFLSA-N -1 0 343.310 2.640 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNc2ccc(Br)nc2)c1 ZINC000740154561 600473474 /nfs/dbraw/zinc/47/34/74/600473474.db2.gz GEBPYMKPQJNXFM-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)nc21 ZINC000738746689 600519593 /nfs/dbraw/zinc/51/95/93/600519593.db2.gz KAFVUEIYCMWBAG-CQSZACIVSA-N -1 0 349.346 2.825 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000739102644 600564627 /nfs/dbraw/zinc/56/46/27/600564627.db2.gz ZYQAGVMYFXZJPD-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM C#Cc1cccc(NC(=S)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000736095423 600567785 /nfs/dbraw/zinc/56/77/85/600567785.db2.gz WBAFUSMKJQAWTM-UHFFFAOYSA-N -1 0 340.404 2.618 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000739103600 600567920 /nfs/dbraw/zinc/56/79/20/600567920.db2.gz CAAPKRUJAMZSFR-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000736114715 600576152 /nfs/dbraw/zinc/57/61/52/600576152.db2.gz OIQSPJODCDIXKF-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM COC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737643080 600594677 /nfs/dbraw/zinc/59/46/77/600594677.db2.gz JKIJOYKDYOFTKC-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(CN3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739107348 600595131 /nfs/dbraw/zinc/59/51/31/600595131.db2.gz AMUWWOGJKXXPBG-LJQANCHMSA-N -1 0 349.390 2.918 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(CN3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739107345 600595151 /nfs/dbraw/zinc/59/51/51/600595151.db2.gz AMUWWOGJKXXPBG-IBGZPJMESA-N -1 0 349.390 2.918 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737581248 600595492 /nfs/dbraw/zinc/59/54/92/600595492.db2.gz XRDIVKSNSBSTRI-MRXNPFEDSA-N -1 0 339.351 2.999 20 30 EFEDRM CN1c2ccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2CCC1=O ZINC000737510878 600597719 /nfs/dbraw/zinc/59/77/19/600597719.db2.gz YWOUPSGYKHQZJA-SFHVURJKSA-N -1 0 335.363 2.705 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000738637925 600603898 /nfs/dbraw/zinc/60/38/98/600603898.db2.gz BREGOBVVPSKKHE-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cc(C)cc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738364345 600603971 /nfs/dbraw/zinc/60/39/71/600603971.db2.gz PXNABTBDZKVVNU-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1ccc(SCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000739131675 600604235 /nfs/dbraw/zinc/60/42/35/600604235.db2.gz DUDXKFSCXAVGFJ-UHFFFAOYSA-N -1 0 326.377 2.768 20 30 EFEDRM COc1cc(OC)cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737902442 600604753 /nfs/dbraw/zinc/60/47/53/600604753.db2.gz LFECRGXPCQFUGC-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)c(N)c2)C(=O)[O-])cc1 ZINC000739113561 600605187 /nfs/dbraw/zinc/60/51/87/600605187.db2.gz AIWLZKKVOQOHJR-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCC(=O)c2cccs2)C(=O)[O-])cc1 ZINC000739109120 600605239 /nfs/dbraw/zinc/60/52/39/600605239.db2.gz KANRPNOXJKIJBL-MRXNPFEDSA-N -1 0 343.360 2.952 20 30 EFEDRM COCc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737833858 600605630 /nfs/dbraw/zinc/60/56/30/600605630.db2.gz ARCMXFIPEWDVSN-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM N#CCn1c(C(=O)N(CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000739092705 600605937 /nfs/dbraw/zinc/60/59/37/600605937.db2.gz UXDMEUFDIAJPRA-UHFFFAOYSA-N -1 0 333.347 2.896 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702940 600607479 /nfs/dbraw/zinc/60/74/79/600607479.db2.gz HNJOIVJYWJVLSQ-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)[O-])cc1 ZINC000739110905 600609944 /nfs/dbraw/zinc/60/99/44/600609944.db2.gz SDRYPYZENKZBMF-KRWDZBQOSA-N -1 0 335.315 2.703 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccn(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739117236 600611628 /nfs/dbraw/zinc/61/16/28/600611628.db2.gz KHASOWCDNOAXMO-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000739048904 600612921 /nfs/dbraw/zinc/61/29/21/600612921.db2.gz FIFJLYXFBCWOMX-HNNXBMFYSA-N -1 0 341.367 2.572 20 30 EFEDRM Cc1ccc(F)c(N)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738602726 600613915 /nfs/dbraw/zinc/61/39/15/600613915.db2.gz CLYLQZCETXLLPG-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(NC3CC3)nc2)C(=O)[O-])cc1 ZINC000739113526 600614301 /nfs/dbraw/zinc/61/43/01/600614301.db2.gz AGYLUTILLJHOPF-MRXNPFEDSA-N -1 0 337.335 2.510 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])cc1 ZINC000739113994 600615083 /nfs/dbraw/zinc/61/50/83/600615083.db2.gz DXSIZYKXCBXMPU-AWEZNQCLSA-N -1 0 333.246 2.525 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3c(s2)CCOC3)C(=O)[O-])cc1 ZINC000739113534 600617214 /nfs/dbraw/zinc/61/72/14/600617214.db2.gz AIQFJVDTPFHVRC-HNNXBMFYSA-N -1 0 343.360 2.675 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])cc1 ZINC000739115904 600617230 /nfs/dbraw/zinc/61/72/30/600617230.db2.gz WDYGCFYYRUHCPO-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CNc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739110954 600618044 /nfs/dbraw/zinc/61/80/44/600618044.db2.gz SWFMCSBGUOHWQJ-MRXNPFEDSA-N -1 0 344.754 2.993 20 30 EFEDRM Cc1nc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000738855547 600618892 /nfs/dbraw/zinc/61/88/92/600618892.db2.gz SYLQZWHRTCDNGE-OAHLLOKOSA-N -1 0 330.365 2.625 20 30 EFEDRM CC(Cn1nc(C)cc1C)=NOCCOc1cccc(C(=O)[O-])c1 ZINC000736629448 600638897 /nfs/dbraw/zinc/63/88/97/600638897.db2.gz LJMOLUBAQUUIKT-UHFFFAOYSA-N -1 0 331.372 2.670 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736095718 600641569 /nfs/dbraw/zinc/64/15/69/600641569.db2.gz ABDCODUDMAULJX-MRXNPFEDSA-N -1 0 325.368 2.896 20 30 EFEDRM N#CC1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000739066895 600641658 /nfs/dbraw/zinc/64/16/58/600641658.db2.gz UOXIKNVLGRXSKR-QGZVFWFLSA-N -1 0 336.391 2.893 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736098251 600656710 /nfs/dbraw/zinc/65/67/10/600656710.db2.gz YDMQGLACEHIWNP-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM N#Cc1ccc(-c2nnc(COC(=O)c3ccccc3C(=O)[O-])o2)cc1 ZINC000833070590 600659311 /nfs/dbraw/zinc/65/93/11/600659311.db2.gz NKSHQVUIBPLOSL-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM C=CCOCC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000825699422 600664245 /nfs/dbraw/zinc/66/42/45/600664245.db2.gz ZWBXWLPZMOAWGJ-UHFFFAOYSA-N -1 0 333.365 2.754 20 30 EFEDRM N#Cc1nnc2ccccc2c1NCc1cccc(OCC(=O)[O-])c1 ZINC000739145574 600708642 /nfs/dbraw/zinc/70/86/42/600708642.db2.gz PXIYNKSDYFRRJE-UHFFFAOYSA-N -1 0 334.335 2.577 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000832852417 600708680 /nfs/dbraw/zinc/70/86/80/600708680.db2.gz XSBBXPLRKZYVTG-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM CC(C)[C@@H](Sc1ccccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826722024 600729178 /nfs/dbraw/zinc/72/91/78/600729178.db2.gz DXFHBBWHYSATJD-MRXNPFEDSA-N -1 0 346.452 2.998 20 30 EFEDRM Cc1ncc(CO)c(/C=N/[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1O ZINC000833008763 600763788 /nfs/dbraw/zinc/76/37/88/600763788.db2.gz UKXTXGCRJRXZLR-IGSPZPEDSA-N -1 0 348.786 2.876 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000830191921 600791146 /nfs/dbraw/zinc/79/11/46/600791146.db2.gz KWRVLALQPYWEMB-LLVKDONJSA-N -1 0 325.368 2.946 20 30 EFEDRM N#Cc1ccc(OCCCON=C(N)c2cccc(C(=O)[O-])c2)cc1 ZINC000833072301 600806915 /nfs/dbraw/zinc/80/69/15/600806915.db2.gz XARCKILVGORYSV-UHFFFAOYSA-N -1 0 339.351 2.572 20 30 EFEDRM N#Cc1cc(NCCSCCC(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC000833069617 600814444 /nfs/dbraw/zinc/81/44/44/600814444.db2.gz ILIOQKBEXAYLHJ-UHFFFAOYSA-N -1 0 346.368 2.634 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000736089745 600824335 /nfs/dbraw/zinc/82/43/35/600824335.db2.gz PJJZSWHCPYHFNT-UHFFFAOYSA-N -1 0 326.304 2.625 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000736089477 600825216 /nfs/dbraw/zinc/82/52/16/600825216.db2.gz LHLUWFDKQATJIU-UHFFFAOYSA-N -1 0 326.304 2.625 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000736090743 600893311 /nfs/dbraw/zinc/89/33/11/600893311.db2.gz IZWHPEWSCCLVQD-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC000238155802 600901930 /nfs/dbraw/zinc/90/19/30/600901930.db2.gz LDEMMLDUFNHXDF-UHFFFAOYSA-N -1 0 335.319 2.525 20 30 EFEDRM CCC(CC)(NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000828835051 600923644 /nfs/dbraw/zinc/92/36/44/600923644.db2.gz GBFPWWYHDARBEY-UHFFFAOYSA-N -1 0 349.456 2.730 20 30 EFEDRM CCCc1cc(=O)[nH]c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000737044923 600935959 /nfs/dbraw/zinc/93/59/59/600935959.db2.gz KFYIMXDVAQUIFS-AWEZNQCLSA-N -1 0 329.381 2.924 20 30 EFEDRM CCCc1cc(=O)[nH]c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000737044924 600936087 /nfs/dbraw/zinc/93/60/87/600936087.db2.gz KFYIMXDVAQUIFS-CQSZACIVSA-N -1 0 329.381 2.924 20 30 EFEDRM CC(C)n1ccc(=O)nc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736532171 600937062 /nfs/dbraw/zinc/93/70/62/600937062.db2.gz ASTUQDQFUYIHNA-AWEZNQCLSA-N -1 0 329.381 2.614 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnnn2C2CCCCC2)C(=O)[O-])cc1 ZINC000739119328 600937987 /nfs/dbraw/zinc/93/79/87/600937987.db2.gz ZJDHIUCKXBRZET-AWEZNQCLSA-N -1 0 343.412 2.968 20 30 EFEDRM C#CCN(CC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000825614016 601009936 /nfs/dbraw/zinc/00/99/36/601009936.db2.gz AWYWUUHRBWLVCI-UHFFFAOYSA-N -1 0 329.183 2.585 20 30 EFEDRM CCN(CCC#N)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000829697259 601011948 /nfs/dbraw/zinc/01/19/48/601011948.db2.gz GEBJQHFJSXZHEL-UHFFFAOYSA-N -1 0 344.198 2.866 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(CCC#N)CCC(C)C ZINC000832914286 601017438 /nfs/dbraw/zinc/01/74/38/601017438.db2.gz BGWAPTCSROQRHG-UHFFFAOYSA-N -1 0 331.416 2.894 20 30 EFEDRM N#Cc1ccc(CC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000739118460 601025405 /nfs/dbraw/zinc/02/54/05/601025405.db2.gz RVDCQYRVJUZQKC-UHFFFAOYSA-N -1 0 326.327 2.748 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000832152430 601034374 /nfs/dbraw/zinc/03/43/74/601034374.db2.gz FTRSIIXYYVLWKM-CQSZACIVSA-N -1 0 339.351 2.557 20 30 EFEDRM Cc1cc(NC(=O)NCCOc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000832894288 601041703 /nfs/dbraw/zinc/04/17/03/601041703.db2.gz BSVQSEPDDVXMCV-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736883353 601045290 /nfs/dbraw/zinc/04/52/90/601045290.db2.gz MZVLOEJHTCTHND-QFYYESIMSA-N -1 0 343.383 2.790 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736883351 601045309 /nfs/dbraw/zinc/04/53/09/601045309.db2.gz MZVLOEJHTCTHND-MGPLVRAMSA-N -1 0 343.383 2.790 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736883349 601045313 /nfs/dbraw/zinc/04/53/13/601045313.db2.gz MZVLOEJHTCTHND-HWPZZCPQSA-N -1 0 343.383 2.790 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cs1 ZINC000825692046 601072389 /nfs/dbraw/zinc/07/23/89/601072389.db2.gz FZAJEASYIKMEGS-LBPRGKRZSA-N -1 0 336.344 2.863 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827879462 601072858 /nfs/dbraw/zinc/07/28/58/601072858.db2.gz QVENWMHKMDNISX-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM CC#CCOC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000825710922 601075650 /nfs/dbraw/zinc/07/56/50/601075650.db2.gz HIJMIDNQPVLITC-UHFFFAOYSA-N -1 0 340.379 2.686 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)nc1 ZINC000825636545 601079458 /nfs/dbraw/zinc/07/94/58/601079458.db2.gz MOFBBTXNWPUSEF-UHFFFAOYSA-N -1 0 329.381 2.767 20 30 EFEDRM N#CCSCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833067816 601101582 /nfs/dbraw/zinc/10/15/82/601101582.db2.gz JANSQQHMXPMFII-LLVKDONJSA-N -1 0 334.180 2.919 20 30 EFEDRM CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC000737049314 601112553 /nfs/dbraw/zinc/11/25/53/601112553.db2.gz FAJSYCZENNIHHR-SNVBAGLBSA-N -1 0 345.380 2.533 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827861358 601133016 /nfs/dbraw/zinc/13/30/16/601133016.db2.gz KRZHCBMIVCKPBF-GFCCVEGCSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000832983764 601143109 /nfs/dbraw/zinc/14/31/09/601143109.db2.gz FYXBSYLSQAODSK-AWEZNQCLSA-N -1 0 348.362 2.774 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000826045595 601166326 /nfs/dbraw/zinc/16/63/26/601166326.db2.gz USEUTPVHLZYVBA-DYVFJYSZSA-N -1 0 338.363 2.781 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccccc2C#N)c1C ZINC000013087513 601204434 /nfs/dbraw/zinc/20/44/34/601204434.db2.gz HCAABSQAXGNXCL-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(CC#N)cc2)c1C ZINC000013088651 601207526 /nfs/dbraw/zinc/20/75/26/601207526.db2.gz LQJGGLYYGNZQCZ-UHFFFAOYSA-N -1 0 345.376 2.835 20 30 EFEDRM N#CCc1ccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000833069090 601208147 /nfs/dbraw/zinc/20/81/47/601208147.db2.gz MDFDGHRSPPIXMS-YHYXMXQVSA-N -1 0 343.360 2.618 20 30 EFEDRM COc1ccc(CN(CC#N)CC(=O)[O-])cc1SC(F)(F)F ZINC000832314712 601226554 /nfs/dbraw/zinc/22/65/54/601226554.db2.gz NJHFKVAUYRENJF-UHFFFAOYSA-N -1 0 334.319 2.717 20 30 EFEDRM N#CCN(CC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000833067657 601226879 /nfs/dbraw/zinc/22/68/79/601226879.db2.gz XAXZJMGRHMEHPJ-UHFFFAOYSA-N -1 0 335.816 2.797 20 30 EFEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825681944 601230307 /nfs/dbraw/zinc/23/03/07/601230307.db2.gz NHBWRXSMALDNOO-VMPITWQZSA-N -1 0 349.330 2.523 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000825637003 601237060 /nfs/dbraw/zinc/23/70/60/601237060.db2.gz ZWZKFUABKJQRBT-XFXZXTDPSA-N -1 0 341.388 2.591 20 30 EFEDRM N#C[C@H](COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000833063346 601237622 /nfs/dbraw/zinc/23/76/22/601237622.db2.gz ITGRGQHYYAHFSN-KFWWJZLASA-N -1 0 333.359 2.942 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@@H]1CCOC1 ZINC000825702272 601252128 /nfs/dbraw/zinc/25/21/28/601252128.db2.gz HKLIGWIUFBAFQE-GFCCVEGCSA-N -1 0 334.368 2.844 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832859851 601253238 /nfs/dbraw/zinc/25/32/38/601253238.db2.gz ZOMAQOSLCQLKRF-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3ccc(CCC(=O)[O-])cc3)C2=O)cc1 ZINC000738432438 601265368 /nfs/dbraw/zinc/26/53/68/601265368.db2.gz LWNIQMXQWLFUFQ-SFHVURJKSA-N -1 0 349.390 2.793 20 30 EFEDRM Cc1cc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1C(=O)[O-] ZINC000832896328 601265640 /nfs/dbraw/zinc/26/56/40/601265640.db2.gz FWSJPUUJFCKXKH-QGZVFWFLSA-N -1 0 335.363 2.782 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000833069851 601270261 /nfs/dbraw/zinc/27/02/61/601270261.db2.gz VSZXPAHBMSPHGP-UHFFFAOYSA-N -1 0 337.310 2.989 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)s2)cc1 ZINC000832235444 601278682 /nfs/dbraw/zinc/27/86/82/601278682.db2.gz KIIUSJWEOSAYSE-ZDUSSCGKSA-N -1 0 330.365 2.574 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000827037897 601279574 /nfs/dbraw/zinc/27/95/74/601279574.db2.gz DOJQCJGAZPSKHW-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000826881350 601281071 /nfs/dbraw/zinc/28/10/71/601281071.db2.gz PPDDWKHUBGJTEH-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM CC(C)NC(=O)c1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976123 601301799 /nfs/dbraw/zinc/30/17/99/601301799.db2.gz KQGXJRNRSZLGDF-KRWDZBQOSA-N -1 0 337.379 2.934 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2ccccc2n1CC#N ZINC000828790236 601306606 /nfs/dbraw/zinc/30/66/06/601306606.db2.gz WSGSOHWQPIBLRO-UHFFFAOYSA-N -1 0 327.384 2.928 20 30 EFEDRM Cc1ccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832943873 601309516 /nfs/dbraw/zinc/30/95/16/601309516.db2.gz PBJBQDCHDUNTAF-GOSISDBHSA-N -1 0 337.379 2.563 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000829852836 601331212 /nfs/dbraw/zinc/33/12/12/601331212.db2.gz QLANELOQFKNNEK-NTMALXAHSA-N -1 0 327.336 2.715 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(C#N)cc1 ZINC000832848843 601332633 /nfs/dbraw/zinc/33/26/33/601332633.db2.gz OCCBDMNGAJMALT-WEVVVXLNSA-N -1 0 346.346 2.975 20 30 EFEDRM CCc1cc(N=NCc2ccc(C(=O)[O-])[nH]2)nc(-c2ccccn2)n1 ZINC000830224738 601337005 /nfs/dbraw/zinc/33/70/05/601337005.db2.gz UIVSTIJZEVQPQI-UHFFFAOYSA-N -1 0 336.355 2.573 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(N3CC=CC3)c2)C(=O)[O-])cc1 ZINC000833072793 601340607 /nfs/dbraw/zinc/34/06/07/601340607.db2.gz QCWUAISMSGOIHN-SFHVURJKSA-N -1 0 348.358 2.917 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832213925 601344885 /nfs/dbraw/zinc/34/48/85/601344885.db2.gz WNTVQGINGVHFBX-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM COCc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831817564 601346741 /nfs/dbraw/zinc/34/67/41/601346741.db2.gz QEEXWYZGVPMJBH-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccc(C)c(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832926612 601347482 /nfs/dbraw/zinc/34/74/82/601347482.db2.gz VXCASHIQKLONND-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM CO[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000831479274 601349407 /nfs/dbraw/zinc/34/94/07/601349407.db2.gz LVKPNGCWDMCHLD-HOTGVXAUSA-N -1 0 325.320 2.615 20 30 EFEDRM CCc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1O ZINC000830260216 601349435 /nfs/dbraw/zinc/34/94/35/601349435.db2.gz XQPYKPIRTFJDLN-MRXNPFEDSA-N -1 0 325.320 2.809 20 30 EFEDRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000832774174 601350177 /nfs/dbraw/zinc/35/01/77/601350177.db2.gz DDVSNXSCWBDTMM-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC000833075766 601350499 /nfs/dbraw/zinc/35/04/99/601350499.db2.gz DMHQNLBCFPEJSH-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832959092 601351311 /nfs/dbraw/zinc/35/13/11/601351311.db2.gz YZLJCGLXOVDONO-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077413 601351443 /nfs/dbraw/zinc/35/14/43/601351443.db2.gz RTDDLYQQRQBGTB-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM Cc1noc(C)c1[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020081 601352193 /nfs/dbraw/zinc/35/21/93/601352193.db2.gz SYESLPOPWZRLBN-VFZGTOFNSA-N -1 0 328.324 2.636 20 30 EFEDRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828245408 601353328 /nfs/dbraw/zinc/35/33/28/601353328.db2.gz JRKIBWZKPMRHBE-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM CCn1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1Cl ZINC000830441138 601354788 /nfs/dbraw/zinc/35/47/88/601354788.db2.gz YFUINIIJHKDHGS-ZDUSSCGKSA-N -1 0 347.758 2.719 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccccn3)no2)C(=O)[O-])c1 ZINC000833076849 601355830 /nfs/dbraw/zinc/35/58/30/601355830.db2.gz IWDKQROPPMKQMV-INIZCTEOSA-N -1 0 349.302 2.591 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)OC/C=C(\C)C(=O)[O-])c1C#N ZINC000832795168 601413772 /nfs/dbraw/zinc/41/37/72/601413772.db2.gz WUCLIHQDVCIEHF-WEVVVXLNSA-N -1 0 332.381 2.740 20 30 EFEDRM O=C([O-])CCCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000833225998 601413985 /nfs/dbraw/zinc/41/39/85/601413985.db2.gz ZXSFOFGSGVAGNY-UHFFFAOYSA-N -1 0 342.317 2.611 20 30 EFEDRM C/C(=C/COC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000825785765 601423388 /nfs/dbraw/zinc/42/33/88/601423388.db2.gz BNPGDZJIFJAWEX-XGICHPGQSA-N -1 0 341.319 2.918 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000833065182 601427151 /nfs/dbraw/zinc/42/71/51/601427151.db2.gz UQFOGIUUZVSLOG-YOEHRIQHSA-N -1 0 335.363 2.692 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC000832777407 601436893 /nfs/dbraw/zinc/43/68/93/601436893.db2.gz LKIRMPPRSKJIGM-ZDUSSCGKSA-N -1 0 329.381 2.554 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC000832777406 601437063 /nfs/dbraw/zinc/43/70/63/601437063.db2.gz LKIRMPPRSKJIGM-CYBMUJFWSA-N -1 0 329.381 2.554 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833074926 601475466 /nfs/dbraw/zinc/47/54/66/601475466.db2.gz GLAZQIUWXISJBC-YXBWYFRISA-N -1 0 332.359 2.782 20 30 EFEDRM Cc1cc(C(=O)Nc2sccc2C#N)cc(C)c1OCC(=O)[O-] ZINC000832868312 601526304 /nfs/dbraw/zinc/52/63/04/601526304.db2.gz ZJAJIHPMJCBLSB-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM CCc1noc(CC)c1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830347901 601604620 /nfs/dbraw/zinc/60/46/20/601604620.db2.gz LKWOEHUEILAMSO-QGZVFWFLSA-N -1 0 342.351 2.583 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000833068627 601607629 /nfs/dbraw/zinc/60/76/29/601607629.db2.gz FOWVYWJLCPCKOE-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])cc1 ZINC000833071874 601607781 /nfs/dbraw/zinc/60/77/81/601607781.db2.gz JIPTXTUQQUYCOX-OAHLLOKOSA-N -1 0 342.257 2.691 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000827212149 601624855 /nfs/dbraw/zinc/62/48/55/601624855.db2.gz BNUCQCLFHRERHA-MRVPVSSYSA-N -1 0 327.287 2.752 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC000833068624 601658633 /nfs/dbraw/zinc/65/86/33/601658633.db2.gz FIFQIZFLUJFJIV-UHFFFAOYSA-N -1 0 328.274 2.738 20 30 EFEDRM COc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000832404359 601672116 /nfs/dbraw/zinc/67/21/16/601672116.db2.gz VPFVBVIUILFLFL-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000833069283 601672258 /nfs/dbraw/zinc/67/22/58/601672258.db2.gz ZNHLLSPJWDYVJQ-CQSZACIVSA-N -1 0 348.280 2.921 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000833069274 601672899 /nfs/dbraw/zinc/67/28/99/601672899.db2.gz ZKLRTZBMWSIAMZ-UHFFFAOYSA-N -1 0 346.289 2.942 20 30 EFEDRM CC(C)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000826602054 601704959 /nfs/dbraw/zinc/70/49/59/601704959.db2.gz GVQAFNHOZGJTQC-UHFFFAOYSA-N -1 0 342.351 2.571 20 30 EFEDRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000832862559 601712248 /nfs/dbraw/zinc/71/22/48/601712248.db2.gz BJNMIEZPQUWDDW-UHFFFAOYSA-N -1 0 339.395 2.806 20 30 EFEDRM C[C@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828394799 601716164 /nfs/dbraw/zinc/71/61/64/601716164.db2.gz SSRMAEFCJVGATM-KXBFYZLASA-N -1 0 333.387 2.879 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833071778 601736763 /nfs/dbraw/zinc/73/67/63/601736763.db2.gz IKZVYBPESGSKJN-QGZVFWFLSA-N -1 0 326.327 2.572 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000825625418 601748389 /nfs/dbraw/zinc/74/83/89/601748389.db2.gz AGUPDESXBVCKNX-UHFFFAOYSA-N -1 0 344.392 2.815 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825966639 601758326 /nfs/dbraw/zinc/75/83/26/601758326.db2.gz ISMUEWXAOZEYFJ-LURJTMIESA-N -1 0 344.140 2.568 20 30 EFEDRM COC(=O)c1cc(/C=C2/CC/C(=C/c3c[nH]c(C(=O)[O-])c3)C2=O)c[nH]1 ZINC000831248674 601791127 /nfs/dbraw/zinc/79/11/27/601791127.db2.gz ORAOVRURYNCNRA-FQCPIAEUSA-N -1 0 340.335 2.658 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000829852806 601791767 /nfs/dbraw/zinc/79/17/67/601791767.db2.gz ORQZWJSEASUREA-VMPITWQZSA-N -1 0 327.336 2.715 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1OC ZINC000831773830 601791772 /nfs/dbraw/zinc/79/17/72/601791772.db2.gz KXKBMELRBFAWCQ-HWKANZROSA-N -1 0 345.351 2.643 20 30 EFEDRM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000829869586 601791933 /nfs/dbraw/zinc/79/19/33/601791933.db2.gz APRUACZUFOWMCJ-IZZDOVSWSA-N -1 0 342.351 2.739 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1OC ZINC000831773831 601791945 /nfs/dbraw/zinc/79/19/45/601791945.db2.gz KXKBMELRBFAWCQ-HYXAFXHYSA-N -1 0 345.351 2.643 20 30 EFEDRM Cc1c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000832908896 601793006 /nfs/dbraw/zinc/79/30/06/601793006.db2.gz BAWHECKYONHPST-YVMONPNESA-N -1 0 336.351 2.807 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000825702709 601800984 /nfs/dbraw/zinc/80/09/84/601800984.db2.gz WLVDJSRIBXBMQA-KGLIPLIRSA-N -1 0 334.368 2.985 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000833068668 601820728 /nfs/dbraw/zinc/82/07/28/601820728.db2.gz IXZIWZVUPMLJJK-AWEZNQCLSA-N -1 0 334.253 2.531 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cc(F)c(F)cc2C(=O)[O-])cc1 ZINC000833068970 601831571 /nfs/dbraw/zinc/83/15/71/601831571.db2.gz JBOVWTQAXYXUFK-UHFFFAOYSA-N -1 0 345.305 2.780 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3cccc3)nc2)C(=O)[O-])cc1 ZINC000833073185 601846774 /nfs/dbraw/zinc/84/67/74/601846774.db2.gz WXKJBRFKFDXCPA-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM C[C@@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000828128429 601896444 /nfs/dbraw/zinc/89/64/44/601896444.db2.gz UABBKMWNXNTXPT-ICSRJNTNSA-N -1 0 336.391 2.932 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833067606 601904804 /nfs/dbraw/zinc/90/48/04/601904804.db2.gz GROAHPNGGMYISE-HIFRSBDPSA-N -1 0 330.384 2.742 20 30 EFEDRM N#CCCN(C(=O)CNc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833065426 601908921 /nfs/dbraw/zinc/90/89/21/601908921.db2.gz CFINVPRFPLJMQJ-UHFFFAOYSA-N -1 0 341.342 2.883 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833024703 601926737 /nfs/dbraw/zinc/92/67/37/601926737.db2.gz RWKXFHBPXKYIGU-UHFFFAOYSA-N -1 0 349.346 2.879 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H](O)c1ccc(C#N)cc1 ZINC000831977933 601959445 /nfs/dbraw/zinc/95/94/45/601959445.db2.gz VUJKXIIRYVJLHW-RDTXFTJFSA-N -1 0 339.347 2.777 20 30 EFEDRM CN(C(=O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830522927 601999149 /nfs/dbraw/zinc/99/91/49/601999149.db2.gz DJNRIXZNMSIMIR-HNNXBMFYSA-N -1 0 348.280 2.873 20 30 EFEDRM CN(C(=O)C(F)(F)C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830458696 602000560 /nfs/dbraw/zinc/00/05/60/602000560.db2.gz YBWWWNIXUQTKAP-QMMMGPOBSA-N -1 0 347.186 2.588 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000831836753 602051715 /nfs/dbraw/zinc/05/17/15/602051715.db2.gz MOEXVDUAFOIWNC-HOTGVXAUSA-N -1 0 332.400 2.820 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCc2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000794894988 602072197 /nfs/dbraw/zinc/07/21/97/602072197.db2.gz AEVHJSOGPVPRGM-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@H](Oc1ccc(C=NNc2cnnc3ccccc32)cc1)C(=O)[O-] ZINC000794912636 602075733 /nfs/dbraw/zinc/07/57/33/602075733.db2.gz IPLYVVTVBRMXEY-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738083660 602100053 /nfs/dbraw/zinc/10/00/53/602100053.db2.gz GVTQTXBLBLYEBO-UHFFFAOYSA-N -1 0 325.324 2.838 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000827326717 602106112 /nfs/dbraw/zinc/10/61/12/602106112.db2.gz ZWOQVYWSGYERLG-JTQLQIEISA-N -1 0 329.381 2.655 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1)C(=O)[O-] ZINC000794702410 602112231 /nfs/dbraw/zinc/11/22/31/602112231.db2.gz QDJRHYQXDAICLK-LAUIRUGDSA-N -1 0 328.320 2.846 20 30 EFEDRM CC(C)(C)c1nnc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000826528203 602145763 /nfs/dbraw/zinc/14/57/63/602145763.db2.gz OQZYYWDMWRZZDP-ZDUSSCGKSA-N -1 0 330.413 2.623 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000825659906 602147086 /nfs/dbraw/zinc/14/70/86/602147086.db2.gz KRWDBDBFUUXWRH-UHFFFAOYSA-N -1 0 344.411 2.928 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNCc1ccc(Cl)cc1 ZINC000833015956 602181338 /nfs/dbraw/zinc/18/13/38/602181338.db2.gz OCSJHRKPBHHMGL-UHFFFAOYSA-N -1 0 334.807 2.752 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000827240928 602185710 /nfs/dbraw/zinc/18/57/10/602185710.db2.gz PDNHXJQVSGENBY-GXFFZTMASA-N -1 0 339.376 2.969 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000827240927 602185732 /nfs/dbraw/zinc/18/57/32/602185732.db2.gz PDNHXJQVSGENBY-GWCFXTLKSA-N -1 0 339.376 2.969 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825614654 602227054 /nfs/dbraw/zinc/22/70/54/602227054.db2.gz SISZDXNBRBZLKX-UHFFFAOYSA-N -1 0 326.352 2.790 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000833071878 602232409 /nfs/dbraw/zinc/23/24/09/602232409.db2.gz MAZICVWMGNQKBP-ZBFHGGJFSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000833071571 602241717 /nfs/dbraw/zinc/24/17/17/602241717.db2.gz JDLIXRODYXMOFY-JKSUJKDBSA-N -1 0 328.393 2.819 20 30 EFEDRM C=CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1cnccn1 ZINC000825711052 602242006 /nfs/dbraw/zinc/24/20/06/602242006.db2.gz MTVQEWLEMHFFJG-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C[C@H](CC#N)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000827217678 602328119 /nfs/dbraw/zinc/32/81/19/602328119.db2.gz HLUFMAKTKPQVKA-MRVPVSSYSA-N -1 0 344.198 2.864 20 30 EFEDRM CN(CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737396604 602687301 /nfs/dbraw/zinc/68/73/01/602687301.db2.gz IRMHSTLEAJBRQI-UHFFFAOYSA-N -1 0 325.324 2.899 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000736330956 603057035 /nfs/dbraw/zinc/05/70/35/603057035.db2.gz FBWQMYJZIHUBQJ-UHFFFAOYSA-N -1 0 343.408 2.949 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738203042 603132785 /nfs/dbraw/zinc/13/27/85/603132785.db2.gz HNPCKAOTDDGDFC-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738252011 603181777 /nfs/dbraw/zinc/18/17/77/603181777.db2.gz ZNOLOINNPQYLNC-UHFFFAOYSA-N -1 0 331.353 2.757 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739146067 603233608 /nfs/dbraw/zinc/23/36/08/603233608.db2.gz ZLOIWGQZCBKQSX-LLVKDONJSA-N -1 0 332.310 2.939 20 30 EFEDRM CN(CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000828279457 603707885 /nfs/dbraw/zinc/70/78/85/603707885.db2.gz XQRWYTBZFMQVLL-HZPDHXFCSA-N -1 0 329.400 2.675 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(-c3ccccn3)c2)o1 ZINC000826322748 607653621 /nfs/dbraw/zinc/65/36/21/607653621.db2.gz AINLGZDHDUEWBI-UHFFFAOYSA-N -1 0 346.354 2.671 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000830611928 604190777 /nfs/dbraw/zinc/19/07/77/604190777.db2.gz QKTUWWMHTPRUBV-GFCCVEGCSA-N -1 0 335.323 2.846 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000826636704 604306242 /nfs/dbraw/zinc/30/62/42/604306242.db2.gz FGXHVZQEPMBUDA-UHFFFAOYSA-N -1 0 344.411 2.819 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000826642269 604408438 /nfs/dbraw/zinc/40/84/38/604408438.db2.gz USIMZVANMITVEX-UHFFFAOYSA-N -1 0 329.308 2.750 20 30 EFEDRM CCNc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000829813143 604431407 /nfs/dbraw/zinc/43/14/07/604431407.db2.gz FWVHEXUFBNGKIS-LBPRGKRZSA-N -1 0 345.380 2.738 20 30 EFEDRM CCNc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829813939 604431777 /nfs/dbraw/zinc/43/17/77/604431777.db2.gz ZUXMXKIPVVPUDZ-GFCCVEGCSA-N -1 0 345.380 2.738 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000825692115 604432761 /nfs/dbraw/zinc/43/27/61/604432761.db2.gz IOYAXRDXUFGJRY-GFCCVEGCSA-N -1 0 336.344 2.863 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000825692303 604432905 /nfs/dbraw/zinc/43/29/05/604432905.db2.gz PNJVGXUCIUABFB-LBPRGKRZSA-N -1 0 336.344 2.863 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833374009 604486100 /nfs/dbraw/zinc/48/61/00/604486100.db2.gz NJKKDQPOCWDIST-CYBMUJFWSA-N -1 0 343.383 2.799 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCC ZINC000833366759 604537527 /nfs/dbraw/zinc/53/75/27/604537527.db2.gz CRMGERFTSPWAFX-SJORKVTESA-N -1 0 344.411 2.651 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000832850046 604555652 /nfs/dbraw/zinc/55/56/52/604555652.db2.gz YYXBBMANRPEQRG-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1C ZINC000833400917 604579678 /nfs/dbraw/zinc/57/96/78/604579678.db2.gz PEKFZZOFNBCPFK-UHFFFAOYSA-N -1 0 340.335 2.761 20 30 EFEDRM Cc1ccc(F)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1N ZINC000833749360 604583837 /nfs/dbraw/zinc/58/38/37/604583837.db2.gz HEYZROOHLBBFHO-UHFFFAOYSA-N -1 0 328.299 2.643 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000833371595 604593334 /nfs/dbraw/zinc/59/33/34/604593334.db2.gz VXBAPUBKOQKNFU-KRWDZBQOSA-N -1 0 339.395 2.939 20 30 EFEDRM C#CCN(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000833365453 604602202 /nfs/dbraw/zinc/60/22/02/604602202.db2.gz RDPOIRIAANQFHB-UHFFFAOYSA-N -1 0 328.412 2.905 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000826642304 604616216 /nfs/dbraw/zinc/61/62/16/604616216.db2.gz VUDWJGSEHAUSPH-UHFFFAOYSA-N -1 0 329.308 2.750 20 30 EFEDRM C=C(C)CN(CC)c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000825642146 604628608 /nfs/dbraw/zinc/62/86/08/604628608.db2.gz ISYFGDVLZCXYEG-UHFFFAOYSA-N -1 0 347.802 2.987 20 30 EFEDRM N#Cc1ccc(N(CCC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000692525899 604631927 /nfs/dbraw/zinc/63/19/27/604631927.db2.gz YQNOKIYQGTWSKS-UHFFFAOYSA-N -1 0 325.324 2.948 20 30 EFEDRM CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(C(=O)[O-])cc1 ZINC000731933213 604639682 /nfs/dbraw/zinc/63/96/82/604639682.db2.gz KUIBETCQANRJQX-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814875452 604641653 /nfs/dbraw/zinc/64/16/53/604641653.db2.gz IZIAGWDDWKOBSN-NSHDSACASA-N -1 0 344.408 2.761 20 30 EFEDRM C=CCOc1ccc(CN2CCO[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000833378154 604652124 /nfs/dbraw/zinc/65/21/24/604652124.db2.gz YXKPMFFNHHGWRE-ZDUSSCGKSA-N -1 0 325.792 2.580 20 30 EFEDRM C#CC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833360839 604655962 /nfs/dbraw/zinc/65/59/62/604655962.db2.gz PKWNQIHDJJRFRW-CVEARBPZSA-N -1 0 326.396 2.647 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000825665361 604691756 /nfs/dbraw/zinc/69/17/56/604691756.db2.gz YYRKUBJTNHIBPS-HOTGVXAUSA-N -1 0 332.400 2.579 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000825665363 604691829 /nfs/dbraw/zinc/69/18/29/604691829.db2.gz YYRKUBJTNHIBPS-JKSUJKDBSA-N -1 0 332.400 2.579 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833538228 604694920 /nfs/dbraw/zinc/69/49/20/604694920.db2.gz RVQJRVSYATYOCG-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM C=CCOc1ccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000833377932 604695687 /nfs/dbraw/zinc/69/56/87/604695687.db2.gz RBQHCSQQFOCPHW-UHFFFAOYSA-N -1 0 340.331 2.989 20 30 EFEDRM CC(C)C(=O)N1CCC(=NOCc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833462991 604698887 /nfs/dbraw/zinc/69/88/87/604698887.db2.gz TUVKXMSCYBUMQM-UHFFFAOYSA-N -1 0 336.363 2.675 20 30 EFEDRM COC1CCC(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833718420 604717060 /nfs/dbraw/zinc/71/70/60/604717060.db2.gz AVKVFDYQWRQPIM-MWHAMWOXSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000825692306 604737986 /nfs/dbraw/zinc/73/79/86/604737986.db2.gz PQFHMOMKGUXRFB-LBPRGKRZSA-N -1 0 331.397 2.687 20 30 EFEDRM C=CCNc1ncc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000825692543 604739719 /nfs/dbraw/zinc/73/97/19/604739719.db2.gz XDFXXIKXKLMFSV-UHFFFAOYSA-N -1 0 331.397 2.711 20 30 EFEDRM C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)[O-] ZINC000817690107 604750054 /nfs/dbraw/zinc/75/00/54/604750054.db2.gz QHEIKVIOKMVXDI-GFCCVEGCSA-N -1 0 333.413 2.917 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833432963 604776506 /nfs/dbraw/zinc/77/65/06/604776506.db2.gz SZHNGFHHFILCOS-INIZCTEOSA-N -1 0 344.411 2.953 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833462442 604798660 /nfs/dbraw/zinc/79/86/60/604798660.db2.gz BBLDLBNQJTWXTC-UHFFFAOYSA-N -1 0 340.335 2.758 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C#N)cc2F)c1C ZINC000135370552 604805905 /nfs/dbraw/zinc/80/59/05/604805905.db2.gz ATPHCMPNAWMBGX-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM C#Cc1ccc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)nc1 ZINC000833368579 604819175 /nfs/dbraw/zinc/81/91/75/604819175.db2.gz RCTKAZKJQDJFSO-UHFFFAOYSA-N -1 0 346.136 2.743 20 30 EFEDRM N#Cc1c(Cl)nsc1NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833761340 604829342 /nfs/dbraw/zinc/82/93/42/604829342.db2.gz VXVOTYVOAMJKAD-VIFPVBQESA-N -1 0 337.788 2.729 20 30 EFEDRM C=CCSc1ccccc1NC(=O)Cn1cc(C(=O)[O-])nc1C ZINC000833378748 604858503 /nfs/dbraw/zinc/85/85/03/604858503.db2.gz UPEXENOERXLIJC-UHFFFAOYSA-N -1 0 331.397 2.807 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224984 604881832 /nfs/dbraw/zinc/88/18/32/604881832.db2.gz MMIGLLLWHGLXMT-CXAGYDPISA-N -1 0 338.363 2.658 20 30 EFEDRM C=CCn1c(SC[C@H]2CC(C(=O)[O-])=C(C)O2)nnc1-c1ccco1 ZINC000833380542 604887053 /nfs/dbraw/zinc/88/70/53/604887053.db2.gz JMXZDNCOAVSJIQ-LLVKDONJSA-N -1 0 347.396 2.964 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1OC ZINC000825699367 604896322 /nfs/dbraw/zinc/89/63/22/604896322.db2.gz YDVFVAJADZFDIW-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM O=C([O-])COc1ccc(NC(=O)C#Cc2ccccc2)cc1Cl ZINC000833254899 604960447 /nfs/dbraw/zinc/96/04/47/604960447.db2.gz XYUOXZKCMXQRKE-UHFFFAOYSA-N -1 0 329.739 2.794 20 30 EFEDRM C[C@]1(NC(=O)CSc2ccc(C#N)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833569640 604961442 /nfs/dbraw/zinc/96/14/42/604961442.db2.gz OIVCTKICIBGNTI-YOEHRIQHSA-N -1 0 332.425 2.800 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825705618 604981358 /nfs/dbraw/zinc/98/13/58/604981358.db2.gz OWALMGPXLWPDOT-LBPRGKRZSA-N -1 0 348.428 2.757 20 30 EFEDRM COC(=O)c1cc(NCc2cc(C#N)ccc2OC)ccc1C(=O)[O-] ZINC000831322107 604984251 /nfs/dbraw/zinc/98/42/51/604984251.db2.gz BIZCGTAIMBVGKF-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833376517 605013748 /nfs/dbraw/zinc/01/37/48/605013748.db2.gz YVOCCEZSFODIHS-UHFFFAOYSA-N -1 0 335.356 2.905 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833365734 605021787 /nfs/dbraw/zinc/02/17/87/605021787.db2.gz YFPYLSOFXQECCF-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000833368814 605024386 /nfs/dbraw/zinc/02/43/86/605024386.db2.gz ULGAITKSEAVYAM-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccncc1 ZINC000833371922 605028517 /nfs/dbraw/zinc/02/85/17/605028517.db2.gz ZLPIBSFFRASDTM-INIZCTEOSA-N -1 0 346.408 2.517 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1C#N ZINC000833506712 605032914 /nfs/dbraw/zinc/03/29/14/605032914.db2.gz MWRFLFBASCVZRG-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)Nc1ccccc1F ZINC000833405276 605037902 /nfs/dbraw/zinc/03/79/02/605037902.db2.gz CLKSITRMYKNCPH-JTQLQIEISA-N -1 0 334.376 2.593 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000833406508 605038150 /nfs/dbraw/zinc/03/81/50/605038150.db2.gz NEMBOYMXMZAGPG-SECBINFHSA-N -1 0 326.278 2.994 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)N[C@@H]1CCCC[C@H]1C ZINC000833611859 605038569 /nfs/dbraw/zinc/03/85/69/605038569.db2.gz KPLNCDHHDRDOJX-YRGRVCCFSA-N -1 0 336.461 2.510 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000833407138 605039202 /nfs/dbraw/zinc/03/92/02/605039202.db2.gz RNLPMHSURFOYQE-MRVPVSSYSA-N -1 0 333.298 2.734 20 30 EFEDRM COC(=O)c1cc(OCc2cccc(C#N)c2F)cc(C(=O)[O-])c1 ZINC000833713445 605042019 /nfs/dbraw/zinc/04/20/19/605042019.db2.gz BWHLVCNHOLXKDX-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833367161 605054952 /nfs/dbraw/zinc/05/49/52/605054952.db2.gz QUJLTDGTVQAVHV-CZUORRHYSA-N -1 0 333.384 2.985 20 30 EFEDRM C=C(C)Cn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccncc1 ZINC000833371367 605071981 /nfs/dbraw/zinc/07/19/81/605071981.db2.gz ZUSBTEOWJYUSKU-CYBMUJFWSA-N -1 0 330.413 2.872 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833378861 605077467 /nfs/dbraw/zinc/07/74/67/605077467.db2.gz PLCSJNVOHSTNNB-UHFFFAOYSA-N -1 0 331.299 2.841 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833373656 605084392 /nfs/dbraw/zinc/08/43/92/605084392.db2.gz WQLCWIILIOFRLX-SNVBAGLBSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833372862 605084457 /nfs/dbraw/zinc/08/44/57/605084457.db2.gz AANKZTKCBMHNQV-SECBINFHSA-N -1 0 338.429 2.863 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000833368705 605093282 /nfs/dbraw/zinc/09/32/82/605093282.db2.gz SFTXFTMUUAZYOA-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C=CCN(CC=C)C(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000833374200 605129255 /nfs/dbraw/zinc/12/92/55/605129255.db2.gz CDHZSMLKLHFTEE-UHFFFAOYSA-N -1 0 338.385 2.747 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(=O)[O-])cc1 ZINC000833377408 605145733 /nfs/dbraw/zinc/14/57/33/605145733.db2.gz VOJYIBBMHACLMO-GOSISDBHSA-N -1 0 338.363 2.903 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833379059 605150650 /nfs/dbraw/zinc/15/06/50/605150650.db2.gz WYSSZDJCHKKYCB-UHFFFAOYSA-N -1 0 343.295 2.505 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833378614 605152831 /nfs/dbraw/zinc/15/28/31/605152831.db2.gz KQEUZWNYPCBJIW-UHFFFAOYSA-N -1 0 347.396 2.763 20 30 EFEDRM C=CCn1c(S[C@@H](CC(C)(C)C)C(=O)[O-])nnc1-c1cnccn1 ZINC000833380458 605155256 /nfs/dbraw/zinc/15/52/56/605155256.db2.gz FVPBECASORXTCI-LBPRGKRZSA-N -1 0 347.444 2.903 20 30 EFEDRM C#CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000833366858 605167169 /nfs/dbraw/zinc/16/71/69/605167169.db2.gz KEMJZPVOPNSTIZ-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM C#CCOc1ccccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833366702 605185001 /nfs/dbraw/zinc/18/50/01/605185001.db2.gz GBRISOXVALLYAW-UHFFFAOYSA-N -1 0 326.308 2.917 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833367125 605187237 /nfs/dbraw/zinc/18/72/37/605187237.db2.gz PSUJNKBURLVSBF-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C=CCCOCCCCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000833374965 605230974 /nfs/dbraw/zinc/23/09/74/605230974.db2.gz PHGFWPDFHFPHHE-MRXNPFEDSA-N -1 0 333.384 2.628 20 30 EFEDRM COc1ccc2nc(N=NCc3cccn3CC(=O)[O-])c(C)cc2c1 ZINC000833735364 605287802 /nfs/dbraw/zinc/28/78/02/605287802.db2.gz XRYUUQTXJASGTE-UHFFFAOYSA-N -1 0 338.367 2.884 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000833366127 605299745 /nfs/dbraw/zinc/29/97/45/605299745.db2.gz HLDSAKINLDFQJF-UHFFFAOYSA-N -1 0 329.327 2.913 20 30 EFEDRM C=CCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833376070 605307981 /nfs/dbraw/zinc/30/79/81/605307981.db2.gz RWYBCGZBZLXFPG-LBPRGKRZSA-N -1 0 331.290 2.540 20 30 EFEDRM CC(N=Nc1cnc2ccccc2n1)c1ccccc1OCC(=O)[O-] ZINC000833387015 605329906 /nfs/dbraw/zinc/32/99/06/605329906.db2.gz JVHXUEOSQLXBCD-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000833374437 605445879 /nfs/dbraw/zinc/44/58/79/605445879.db2.gz JMNUKNYZSHMXGL-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833374271 605446161 /nfs/dbraw/zinc/44/61/61/605446161.db2.gz DPYVZJGPHCXBSL-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833374541 605477014 /nfs/dbraw/zinc/47/70/14/605477014.db2.gz PLCIRAYXOBNWEJ-UHFFFAOYSA-N -1 0 328.368 2.647 20 30 EFEDRM C#CCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833362008 605575179 /nfs/dbraw/zinc/57/51/79/605575179.db2.gz VPHHZIJCIZBZLT-QGZVFWFLSA-N -1 0 326.396 2.864 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000833432675 605575381 /nfs/dbraw/zinc/57/53/81/605575381.db2.gz PYMXOLIVFUNEIF-QGZVFWFLSA-N -1 0 333.340 2.552 20 30 EFEDRM CCOc1cc(C(=O)OCC2(C#N)CCCC2)ccc1OCC(=O)[O-] ZINC000833663659 605709960 /nfs/dbraw/zinc/70/99/60/605709960.db2.gz UBRMRAVOJRFGCP-UHFFFAOYSA-N -1 0 347.367 2.789 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833366393 605803632 /nfs/dbraw/zinc/80/36/32/605803632.db2.gz VDKXIYTVGZHWAZ-UHFFFAOYSA-N -1 0 328.295 2.684 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833373916 605921909 /nfs/dbraw/zinc/92/19/09/605921909.db2.gz ISZLLLDZXGUBIF-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM N#Cc1cccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000822837637 606944998 /nfs/dbraw/zinc/94/49/98/606944998.db2.gz PXCFKBADWLQEFW-UHFFFAOYSA-N -1 0 331.364 2.833 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCCc3ccc(Cl)cc32)o1 ZINC000826323198 608054182 /nfs/dbraw/zinc/05/41/82/608054182.db2.gz UOZQYHVHXTUXJD-UHFFFAOYSA-N -1 0 343.778 2.969 20 30 EFEDRM CCC1(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCOCC1 ZINC000825164942 609276052 /nfs/dbraw/zinc/27/60/52/609276052.db2.gz NIXGJPXGYDCVNU-UHFFFAOYSA-N -1 0 333.396 2.583 20 30 EFEDRM CC[C@@H]1C[C@@H](CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184385 609516949 /nfs/dbraw/zinc/51/69/49/609516949.db2.gz SVWQUSHKUZNWCA-WDEREUQCSA-N -1 0 333.396 2.581 20 30 EFEDRM C[C@@H]1Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000850758174 1250597213 /nfs/dbraw/zinc/59/72/13/1250597213.db2.gz ZNBCFXKILBSEEM-MLGOLLRUSA-N -1 0 326.396 2.781 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)NC(C)C)c1C ZINC000850762624 1250600072 /nfs/dbraw/zinc/60/00/72/1250600072.db2.gz ZZCVBDCMIYDSMH-CYBMUJFWSA-N -1 0 337.217 2.913 20 30 EFEDRM CO[C@@](C)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000850781957 1250615966 /nfs/dbraw/zinc/61/59/66/1250615966.db2.gz HIEYUIWLMWDWIT-ADLMAVQZSA-N -1 0 344.367 2.751 20 30 EFEDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC(C)(C)C1 ZINC000850939809 1250706681 /nfs/dbraw/zinc/70/66/81/1250706681.db2.gz BXMMAUAVNWPJHQ-UHFFFAOYSA-N -1 0 326.462 2.589 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000850976984 1250722063 /nfs/dbraw/zinc/72/20/63/1250722063.db2.gz KNWNAJLBFPAILK-KDOFPFPSSA-N -1 0 348.402 2.957 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000850977288 1250722866 /nfs/dbraw/zinc/72/28/66/1250722866.db2.gz QGAJRXBGIBGOCT-HNNXBMFYSA-N -1 0 342.420 2.842 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(F)F)c1ccccc1 ZINC000850978055 1250723904 /nfs/dbraw/zinc/72/39/04/1250723904.db2.gz KPYWGPRULFSQDS-STQMWFEESA-N -1 0 346.337 2.868 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C)c1ccccc1 ZINC000850977839 1250724722 /nfs/dbraw/zinc/72/47/22/1250724722.db2.gz FQCQQHOCACIYJQ-TZMCWYRMSA-N -1 0 344.802 2.663 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851008743 1250742170 /nfs/dbraw/zinc/74/21/70/1250742170.db2.gz VOGSPPWTFCGEBN-UHFFFAOYSA-N -1 0 334.441 2.805 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)cc1 ZINC000851026621 1250756151 /nfs/dbraw/zinc/75/61/51/1250756151.db2.gz MIEHUCCDGSMBEX-UHFFFAOYSA-N -1 0 334.441 2.805 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccn(C)c2-c2ccccc2)CC1 ZINC000851032162 1250761686 /nfs/dbraw/zinc/76/16/86/1250761686.db2.gz NFJFDZFXDPOMMS-UHFFFAOYSA-N -1 0 344.436 2.860 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000851031312 1250761697 /nfs/dbraw/zinc/76/16/97/1250761697.db2.gz BDTZOFROXADMRM-VIFPVBQESA-N -1 0 326.245 2.515 20 30 EFEDRM C=CCOCC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175980 1250843069 /nfs/dbraw/zinc/84/30/69/1250843069.db2.gz MAMBNISXVVXJAQ-STQMWFEESA-N -1 0 343.301 2.597 20 30 EFEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192843 1250851282 /nfs/dbraw/zinc/85/12/82/1250851282.db2.gz UDGWHNRLGJCZJD-CYBMUJFWSA-N -1 0 340.420 2.860 20 30 EFEDRM CC(C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)=C1CCCC1 ZINC000851191504 1250858282 /nfs/dbraw/zinc/85/82/82/1250858282.db2.gz FHANVECOWFQEOR-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)C ZINC000851191799 1250859234 /nfs/dbraw/zinc/85/92/34/1250859234.db2.gz OLRGVJKRFZRWQX-AWEZNQCLSA-N -1 0 340.420 2.716 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604850 1265534680 /nfs/dbraw/zinc/53/46/80/1265534680.db2.gz ADTRBXYAVPTLQM-MRVPVSSYSA-N -1 0 325.308 2.776 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851510227 1251042213 /nfs/dbraw/zinc/04/22/13/1251042213.db2.gz QRDBMDMKEODOKA-UHFFFAOYSA-N -1 0 345.417 2.540 20 30 EFEDRM C[C@@]1(CNc2ccc(C#N)nc2)CCN(C(=O)c2ccccc2O)C1 ZINC001065389590 1265655304 /nfs/dbraw/zinc/65/53/04/1265655304.db2.gz HFNSJYCTKDDIMV-IBGZPJMESA-N -1 0 336.395 2.623 20 30 EFEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)N1CCCC1=O ZINC000073288881 1253970532 /nfs/dbraw/zinc/97/05/32/1253970532.db2.gz XRMCBEVFVKOEES-HNNXBMFYSA-N -1 0 344.477 2.500 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000385021243 1256558259 /nfs/dbraw/zinc/55/82/59/1256558259.db2.gz ZWGBZMSXDHDURJ-UHFFFAOYSA-N -1 0 335.784 2.668 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000186188514 1258095658 /nfs/dbraw/zinc/09/56/58/1258095658.db2.gz FIDDSEOPEYVVPR-UHFFFAOYSA-N -1 0 333.331 2.704 20 30 EFEDRM Cc1cc(CCCC(=O)[N-]S(=O)(=O)N2CCCC2)c(C)s1 ZINC000084693341 1258722319 /nfs/dbraw/zinc/72/23/19/1258722319.db2.gz NZANHURYSLMATM-UHFFFAOYSA-N -1 0 330.475 2.985 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)CC ZINC000073534271 1259114115 /nfs/dbraw/zinc/11/41/15/1259114115.db2.gz LCAYXKWIUVFBFB-QWHCGFSZSA-N -1 0 332.466 2.500 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001116906425 1261841038 /nfs/dbraw/zinc/84/10/38/1261841038.db2.gz JIWNZVCIEHCJEQ-AVGNSLFASA-N -1 0 338.201 2.698 20 30 EFEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000747021138 1278180261 /nfs/dbraw/zinc/18/02/61/1278180261.db2.gz JSOPMHMQKVXUCS-CQSZACIVSA-N -1 0 345.362 2.741 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2sccc2C2CC2)c1 ZINC000729886307 1264100372 /nfs/dbraw/zinc/10/03/72/1264100372.db2.gz ACFMGVFOKUNEEX-UHFFFAOYSA-N -1 0 332.406 2.616 20 30 EFEDRM Cc1nnc(NN=C2c3ccc(Cl)c(Cl)c3O[C@@H]2C)[n-]c1=O ZINC000729932546 1264114526 /nfs/dbraw/zinc/11/45/26/1264114526.db2.gz LVRFYEXVSMNTMQ-ZCFIWIBFSA-N -1 0 340.170 2.790 20 30 EFEDRM COc1ccsc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000730056234 1264176137 /nfs/dbraw/zinc/17/61/37/1264176137.db2.gz SIADEMVWUATFBP-VIFPVBQESA-N -1 0 336.394 2.555 20 30 EFEDRM O=C([O-])CCOc1ccc(C=NNc2ccnc3ccccc32)cc1 ZINC000730147513 1264214162 /nfs/dbraw/zinc/21/41/62/1264214162.db2.gz PHUFWCYAJVRHPJ-UHFFFAOYSA-N -1 0 335.363 2.956 20 30 EFEDRM COC(=O)[C@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000730547663 1264367679 /nfs/dbraw/zinc/36/76/79/1264367679.db2.gz ZWTFHFSACWOBON-GZQZNAIASA-N -1 0 328.324 2.504 20 30 EFEDRM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2O)CC1 ZINC001066156290 1266656860 /nfs/dbraw/zinc/65/68/60/1266656860.db2.gz YLNAELZXHJRDFH-OAHLLOKOSA-N -1 0 342.439 2.553 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733200237 1265109209 /nfs/dbraw/zinc/10/92/09/1265109209.db2.gz CPJMEZDAKQYVGY-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM Cc1c(NN=Cc2cccc(OCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000733204371 1265111033 /nfs/dbraw/zinc/11/10/33/1265111033.db2.gz QAHAAZTVAMZPDM-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM COc1cc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)ccc1O ZINC000733206835 1265125476 /nfs/dbraw/zinc/12/54/76/1265125476.db2.gz QWYRGNGWWUKDJH-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM N#CCOc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733206200 1265126312 /nfs/dbraw/zinc/12/63/12/1265126312.db2.gz CUYUWWIEBFCORR-WTKPLQERSA-N -1 0 337.331 2.948 20 30 EFEDRM COc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000734080610 1266865493 /nfs/dbraw/zinc/86/54/93/1266865493.db2.gz XLVYGEOZZGZECI-SNVBAGLBSA-N -1 0 343.293 2.720 20 30 EFEDRM COc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000734080609 1266866306 /nfs/dbraw/zinc/86/63/06/1266866306.db2.gz XLVYGEOZZGZECI-JTQLQIEISA-N -1 0 343.293 2.720 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1occc1Br ZINC000735227318 1267232002 /nfs/dbraw/zinc/23/20/02/1267232002.db2.gz ALPRPVSYYWPHRY-UHFFFAOYSA-N -1 0 341.112 2.823 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000073837843 1267532879 /nfs/dbraw/zinc/53/28/79/1267532879.db2.gz OGWBHZRWKPZCAC-CHWSQXEVSA-N -1 0 346.493 2.746 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(N2CCCC2=O)c1 ZINC000073837865 1267533242 /nfs/dbraw/zinc/53/32/42/1267533242.db2.gz UJVMAWZALKJAMH-UHFFFAOYSA-N -1 0 338.429 2.636 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000073837999 1267534447 /nfs/dbraw/zinc/53/44/47/1267534447.db2.gz UNFAGKJNKNSCAQ-UHFFFAOYSA-N -1 0 326.418 2.776 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000073837996 1267534729 /nfs/dbraw/zinc/53/47/29/1267534729.db2.gz ITPQBHQYIAWDAP-UHFFFAOYSA-N -1 0 338.429 2.858 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000073838403 1267535758 /nfs/dbraw/zinc/53/57/58/1267535758.db2.gz VPIADFDAXGEVMD-UHFFFAOYSA-N -1 0 344.399 2.736 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000073838587 1267535887 /nfs/dbraw/zinc/53/58/87/1267535887.db2.gz LIAZTGPOGUZBPT-LLVKDONJSA-N -1 0 325.386 2.605 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000073838805 1267536730 /nfs/dbraw/zinc/53/67/30/1267536730.db2.gz WRRWPERONKMBII-GFCCVEGCSA-N -1 0 343.420 2.959 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000073839483 1267537764 /nfs/dbraw/zinc/53/77/64/1267537764.db2.gz KUCOHYHSBJVXFA-VHSXEESVSA-N -1 0 331.459 2.542 20 30 EFEDRM CCCc1sc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cc1CC ZINC000073839250 1267538297 /nfs/dbraw/zinc/53/82/97/1267538297.db2.gz YPIXCQRAXMQSBZ-JTQLQIEISA-N -1 0 333.475 2.932 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000073839480 1267538353 /nfs/dbraw/zinc/53/83/53/1267538353.db2.gz KUCOHYHSBJVXFA-ZJUUUORDSA-N -1 0 331.459 2.542 20 30 EFEDRM C=C(Cl)CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000736246349 1267552466 /nfs/dbraw/zinc/55/24/66/1267552466.db2.gz YUHABQNQQXHKNR-UHFFFAOYSA-N -1 0 338.816 2.694 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000825080231 1278407822 /nfs/dbraw/zinc/40/78/22/1278407822.db2.gz KMKNSZOOPIIESS-AWEZNQCLSA-N -1 0 341.363 2.623 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cs1 ZINC000741111116 1269312048 /nfs/dbraw/zinc/31/20/48/1269312048.db2.gz HETHRDZXHFLDLQ-GFCCVEGCSA-N -1 0 342.376 2.920 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000741649162 1269625062 /nfs/dbraw/zinc/62/50/62/1269625062.db2.gz OOWGCUAMUPAXAS-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000741658476 1269638260 /nfs/dbraw/zinc/63/82/60/1269638260.db2.gz YQEFYFLGUIPQSS-UHFFFAOYSA-N -1 0 349.383 2.956 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000741657328 1269638595 /nfs/dbraw/zinc/63/85/95/1269638595.db2.gz MUTXIIGHXRAXSV-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000741656674 1269638856 /nfs/dbraw/zinc/63/88/56/1269638856.db2.gz FPIBXAGXXKWIGQ-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC000792070402 1278528946 /nfs/dbraw/zinc/52/89/46/1278528946.db2.gz YFZDNMUAOQLDCM-UHFFFAOYSA-N -1 0 337.441 2.782 20 30 EFEDRM COc1cc(/C=C2\Oc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000742436138 1270062319 /nfs/dbraw/zinc/06/23/19/1270062319.db2.gz HUWJMRASSMQTRC-SXGWCWSVSA-N -1 0 326.304 2.775 20 30 EFEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1cnc2ccccc2n1 ZINC000792109134 1278548895 /nfs/dbraw/zinc/54/88/95/1278548895.db2.gz SPDRRFJZFCJQRK-AWEZNQCLSA-N -1 0 343.346 2.958 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H](C)OCC)s1 ZINC000744023497 1270833295 /nfs/dbraw/zinc/83/32/95/1270833295.db2.gz ZYEGUWKEZJMROR-NEPJUHHUSA-N -1 0 337.445 2.869 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2ccsc2c1 ZINC000744026877 1270836858 /nfs/dbraw/zinc/83/68/58/1270836858.db2.gz AEDSEZIMHDQAPE-AWEZNQCLSA-N -1 0 335.388 2.935 20 30 EFEDRM COC(=O)COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000744999329 1271266520 /nfs/dbraw/zinc/26/65/20/1271266520.db2.gz NTBKKXYZJKRUDN-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM COC(=O)c1occc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020439 1271275004 /nfs/dbraw/zinc/27/50/04/1271275004.db2.gz FHPCEHSJHBPEPO-JMEBYUIHSA-N -1 0 344.319 2.814 20 30 EFEDRM Cn1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1-c1ccc(F)cc1 ZINC000749265331 1271514582 /nfs/dbraw/zinc/51/45/82/1271514582.db2.gz LSTFEYMLLHNBJD-UHFFFAOYSA-N -1 0 334.314 2.550 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(F)c2)n1 ZINC000745569820 1271517584 /nfs/dbraw/zinc/51/75/84/1271517584.db2.gz ZLDVKKFVYPOFBF-ZDUSSCGKSA-N -1 0 332.356 2.932 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2ccc(OCCC(=O)[O-])cc2)o1 ZINC000745611705 1271539984 /nfs/dbraw/zinc/53/99/84/1271539984.db2.gz DQQHBVBUEHXCQS-UHFFFAOYSA-N -1 0 342.355 2.969 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000746448788 1272282726 /nfs/dbraw/zinc/28/27/26/1272282726.db2.gz AGBYIXNESDAJGJ-UHFFFAOYSA-N -1 0 337.441 2.891 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206006141 1272825863 /nfs/dbraw/zinc/82/58/63/1272825863.db2.gz YCJVBIQXIYKIOA-UHFFFAOYSA-N -1 0 334.278 2.888 20 30 EFEDRM N#Cc1c2c(cnc1NCc1cc(=O)[n-]o1)CCN2Cc1ccccc1 ZINC001169482603 1272948622 /nfs/dbraw/zinc/94/86/22/1272948622.db2.gz SOQBVDWFCBLTNK-UHFFFAOYSA-N -1 0 347.378 2.822 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)cc(C(F)(F)F)n1 ZINC001169962085 1273283034 /nfs/dbraw/zinc/28/30/34/1273283034.db2.gz IJAXYWURQQOWBG-UHFFFAOYSA-N -1 0 346.656 2.575 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccccc2OCC(=O)[O-])o1 ZINC000746497785 1274304004 /nfs/dbraw/zinc/30/40/04/1274304004.db2.gz CYAJCUFBXSLPMU-UHFFFAOYSA-N -1 0 342.355 2.753 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1oc(C(C)(C)C)nc1C#N)O2 ZINC000746498136 1274305347 /nfs/dbraw/zinc/30/53/47/1274305347.db2.gz JXWCIXFSYCSTPP-UHFFFAOYSA-N -1 0 340.339 2.859 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000771074255 1274638627 /nfs/dbraw/zinc/63/86/27/1274638627.db2.gz BPKCWQRJIBIPQG-UHFFFAOYSA-N -1 0 347.223 2.747 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1 ZINC000792562269 1278900834 /nfs/dbraw/zinc/90/08/34/1278900834.db2.gz JMXGRRYNXXYXKS-HNNXBMFYSA-N -1 0 348.509 2.757 20 30 EFEDRM CC(=NNC(=S)NC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000746556892 1275171953 /nfs/dbraw/zinc/17/19/53/1275171953.db2.gz GTTWIXIDQWCMRU-UHFFFAOYSA-N -1 0 346.225 2.644 20 30 EFEDRM CCS[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000785828553 1275199455 /nfs/dbraw/zinc/19/94/55/1275199455.db2.gz SNLZMDSWVLFLJL-DGCLKSJQSA-N -1 0 340.470 2.949 20 30 EFEDRM N#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001212600402 1278936715 /nfs/dbraw/zinc/93/67/15/1278936715.db2.gz RQFDTJYGRLHWEQ-UHFFFAOYSA-N -1 0 337.788 2.625 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2ccccc2n1CC(F)(F)F ZINC000786311777 1275367458 /nfs/dbraw/zinc/36/74/58/1275367458.db2.gz XAFUAXLQXREPKE-GFCCVEGCSA-N -1 0 349.312 2.805 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)OC ZINC000786329124 1275372617 /nfs/dbraw/zinc/37/26/17/1275372617.db2.gz NPDQNOTZSMLXAU-GFCCVEGCSA-N -1 0 348.399 2.515 20 30 EFEDRM Cc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786531643 1275421109 /nfs/dbraw/zinc/42/11/09/1275421109.db2.gz SETSMUUTRITWJV-LBPRGKRZSA-N -1 0 333.800 2.744 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(C#N)cc1 ZINC000786535527 1275422369 /nfs/dbraw/zinc/42/23/69/1275422369.db2.gz SDMDYENZOSZUOJ-INIZCTEOSA-N -1 0 337.766 2.851 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(C#N)cc1 ZINC000786535528 1275422399 /nfs/dbraw/zinc/42/23/99/1275422399.db2.gz SDMDYENZOSZUOJ-MRXNPFEDSA-N -1 0 337.766 2.851 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(C#N)c1 ZINC000786536103 1275423922 /nfs/dbraw/zinc/42/39/22/1275423922.db2.gz XMCDQHHQEOAHBD-INIZCTEOSA-N -1 0 337.766 2.851 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)c1 ZINC000786539164 1275424940 /nfs/dbraw/zinc/42/49/40/1275424940.db2.gz IJIPLUIMHBIYEJ-CQSZACIVSA-N -1 0 338.411 2.655 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1)OCC ZINC000786511079 1275431262 /nfs/dbraw/zinc/43/12/62/1275431262.db2.gz YKGZTVFFQWQVKD-CQSZACIVSA-N -1 0 343.420 2.619 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)c1 ZINC000786548083 1275437817 /nfs/dbraw/zinc/43/78/17/1275437817.db2.gz GUZDZPMULFAKOO-MRXNPFEDSA-N -1 0 337.335 2.542 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)c1 ZINC000786548908 1275439206 /nfs/dbraw/zinc/43/92/06/1275439206.db2.gz OISBWSXAXJVJQF-HNNXBMFYSA-N -1 0 332.363 2.510 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786554877 1275441183 /nfs/dbraw/zinc/44/11/83/1275441183.db2.gz PLXVYOZPZDBQQY-NSHDSACASA-N -1 0 349.362 2.623 20 30 EFEDRM CC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786552786 1275441522 /nfs/dbraw/zinc/44/15/22/1275441522.db2.gz QGUUMYKDSGPTSU-GOSISDBHSA-N -1 0 334.375 2.837 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786557209 1275441562 /nfs/dbraw/zinc/44/15/62/1275441562.db2.gz HHIJDNZBPFGLJZ-HNNXBMFYSA-N -1 0 328.318 2.912 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(F)cc1 ZINC000786557196 1275441637 /nfs/dbraw/zinc/44/16/37/1275441637.db2.gz HAFJMIUZBOTCFO-CQSZACIVSA-N -1 0 332.281 2.743 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786559356 1275442826 /nfs/dbraw/zinc/44/28/26/1275442826.db2.gz UYFVATUGWJFKGG-NSHDSACASA-N -1 0 349.362 2.623 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(F)c1 ZINC000786561152 1275443680 /nfs/dbraw/zinc/44/36/80/1275443680.db2.gz OAISMRQVYLZIKB-AWEZNQCLSA-N -1 0 332.281 2.743 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786561905 1275443881 /nfs/dbraw/zinc/44/38/81/1275443881.db2.gz AUIZLSXZFNAEDX-AWEZNQCLSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562317 1275443938 /nfs/dbraw/zinc/44/39/38/1275443938.db2.gz IPRZZSJULOVBCR-HNNXBMFYSA-N -1 0 328.318 2.912 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(F)c1 ZINC000786569195 1275445734 /nfs/dbraw/zinc/44/57/34/1275445734.db2.gz CXHWWCJNCMRVIY-ZDUSSCGKSA-N -1 0 332.281 2.743 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786572040 1275446920 /nfs/dbraw/zinc/44/69/20/1275446920.db2.gz VAHRZWGJHHKTSE-CQSZACIVSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)oc1C ZINC000786570881 1275447076 /nfs/dbraw/zinc/44/70/76/1275447076.db2.gz QCVUXNVOLUEKHR-GFCCVEGCSA-N -1 0 332.306 2.814 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(C#N)s1 ZINC000786571192 1275447497 /nfs/dbraw/zinc/44/74/97/1275447497.db2.gz SHFPMSONIDSWNJ-LLVKDONJSA-N -1 0 345.330 2.537 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000786773504 1275520687 /nfs/dbraw/zinc/52/06/87/1275520687.db2.gz ZENPPWDAZIYRLJ-GWCFXTLKSA-N -1 0 342.317 2.866 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(OC)n1)c1ccccc1 ZINC000787034005 1275620735 /nfs/dbraw/zinc/62/07/35/1275620735.db2.gz YVYDLXDIZAIQAO-CABCVRRESA-N -1 0 337.379 2.680 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(OC)n1)c1ccccc1 ZINC000787034009 1275621334 /nfs/dbraw/zinc/62/13/34/1275621334.db2.gz YVYDLXDIZAIQAO-GJZGRUSLSA-N -1 0 337.379 2.680 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000787048119 1275629153 /nfs/dbraw/zinc/62/91/53/1275629153.db2.gz ZOWIWELYJSZKQI-ZIAGYGMSSA-N -1 0 325.368 2.827 20 30 EFEDRM CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167912 1275700318 /nfs/dbraw/zinc/70/03/18/1275700318.db2.gz GZQOHPVULUSONS-OLWLVDRSSA-N -1 0 341.319 2.769 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2cccc(OCCC(=O)[O-])c2)o1 ZINC000746680143 1275764132 /nfs/dbraw/zinc/76/41/32/1275764132.db2.gz QJUYUOCVRSLJGR-UHFFFAOYSA-N -1 0 342.355 2.969 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCc2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC000746679514 1275765986 /nfs/dbraw/zinc/76/59/86/1275765986.db2.gz IXBBGBDFBHPSPQ-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNc2nc3ccccc3n2C)c1)C(=O)[O-] ZINC000746679639 1275773600 /nfs/dbraw/zinc/77/36/00/1275773600.db2.gz KBGCUUGMXBCERP-GFCCVEGCSA-N -1 0 338.367 2.871 20 30 EFEDRM C=CCN1C(=O)/C(=C\c2cccc(OCCC(=O)[O-])c2)SC1=S ZINC000746684173 1275783165 /nfs/dbraw/zinc/78/31/65/1275783165.db2.gz WRHIQYDGLFOAOG-JLHYYAGUSA-N -1 0 349.433 2.927 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1n[n-]c(=S)s1 ZINC000787845063 1275939240 /nfs/dbraw/zinc/93/92/40/1275939240.db2.gz RUUAITJZXOSFKR-NSHDSACASA-N -1 0 348.478 2.594 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nnc(-c3ccccn3)s2)c1 ZINC000788032139 1276011001 /nfs/dbraw/zinc/01/10/01/1276011001.db2.gz NVVQRMJXNRQURC-UHFFFAOYSA-N -1 0 342.340 2.660 20 30 EFEDRM C=CCOC(=O)c1sc2[n-]c(-c3nccc(C)n3)nc(=O)c2c1C ZINC000788340166 1276138290 /nfs/dbraw/zinc/13/82/90/1276138290.db2.gz HMLXEBIYGDTKPP-UHFFFAOYSA-N -1 0 342.380 2.814 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NN[C@H](CO)c1ccccc1)CCC2 ZINC000788462629 1276182213 /nfs/dbraw/zinc/18/22/13/1276182213.db2.gz YOKBTWCSZYOTFG-CQSZACIVSA-N -1 0 328.368 2.650 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2ccncc2)cc1 ZINC000817713754 1276289491 /nfs/dbraw/zinc/28/94/91/1276289491.db2.gz HCVPWQAEDXBKIR-SFHVURJKSA-N -1 0 349.390 2.605 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788747352 1276309627 /nfs/dbraw/zinc/30/96/27/1276309627.db2.gz IVTTZUNWRWRNEU-UHFFFAOYSA-N -1 0 342.376 2.742 20 30 EFEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000789409534 1276722981 /nfs/dbraw/zinc/72/29/81/1276722981.db2.gz VQHVKHFZGCFTNU-AWEZNQCLSA-N -1 0 326.396 2.738 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000789492824 1276750657 /nfs/dbraw/zinc/75/06/57/1276750657.db2.gz WEPJXTFHEPWTMN-HNNXBMFYSA-N -1 0 343.333 2.561 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000789491677 1276750727 /nfs/dbraw/zinc/75/07/27/1276750727.db2.gz MUCYUOAYFWFKSE-MRXNPFEDSA-N -1 0 341.798 2.936 20 30 EFEDRM C[C@H](NC(=O)C1(C#N)CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000923084028 1276754141 /nfs/dbraw/zinc/75/41/41/1276754141.db2.gz VQNFNZQHVHZBIA-HOCLYGCPSA-N -1 0 328.412 2.909 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000819936456 1276959728 /nfs/dbraw/zinc/95/97/28/1276959728.db2.gz YIRUZZAMKHWPPU-UHFFFAOYSA-N -1 0 346.792 2.655 20 30 EFEDRM Cc1sc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000819941936 1276962284 /nfs/dbraw/zinc/96/22/84/1276962284.db2.gz BUHZPQDPIXKUPG-QMMMGPOBSA-N -1 0 329.219 2.666 20 30 EFEDRM Cc1cccc2c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)coc21 ZINC000819941543 1276962343 /nfs/dbraw/zinc/96/23/43/1276962343.db2.gz OPYABCGDHMQBIC-OAHLLOKOSA-N -1 0 342.395 2.995 20 30 EFEDRM COc1ccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)cc1C#N ZINC000789904132 1277090291 /nfs/dbraw/zinc/09/02/91/1277090291.db2.gz QZFGHFKZVOARNK-UHFFFAOYSA-N -1 0 340.335 2.648 20 30 EFEDRM C#CC(C)(C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000789950837 1277114209 /nfs/dbraw/zinc/11/42/09/1277114209.db2.gz NKAJJXCCIQOXPG-UHFFFAOYSA-N -1 0 337.301 2.738 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nccn1-c1ccccc1 ZINC000790156124 1277297733 /nfs/dbraw/zinc/29/77/33/1277297733.db2.gz YTIHFPMTRBYQMW-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM CC(C)CCN1c2ccccc2C(=N[N-]c2nc3ccccn3n2)C1=O ZINC000790195820 1277343572 /nfs/dbraw/zinc/34/35/72/1277343572.db2.gz RVOPYITXSAYWRK-UHFFFAOYSA-N -1 0 348.410 2.938 20 30 EFEDRM N#CC1(C(=O)N=c2nc(-c3cccnc3Cl)[n-]s2)CCCC1 ZINC000585125113 1277405857 /nfs/dbraw/zinc/40/58/57/1277405857.db2.gz HDUHKDZNRNFYPV-UHFFFAOYSA-N -1 0 333.804 2.698 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cnnn1-c1ccccc1 ZINC000821007839 1277415194 /nfs/dbraw/zinc/41/51/94/1277415194.db2.gz LKRZRSKBAOTKDT-VQHVLOKHSA-N -1 0 336.307 2.777 20 30 EFEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ncc[n-]2)c1 ZINC000821173531 1277476430 /nfs/dbraw/zinc/47/64/30/1277476430.db2.gz QPVIUOMMTDNZBJ-UHFFFAOYSA-N -1 0 337.404 2.787 20 30 EFEDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790867602 1277813133 /nfs/dbraw/zinc/81/31/33/1277813133.db2.gz GFPJEGFIZVGQCF-RUDMXATFSA-N -1 0 346.330 2.738 20 30 EFEDRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790869291 1277813960 /nfs/dbraw/zinc/81/39/60/1277813960.db2.gz OTMHHBWVZQNQNL-SECBINFHSA-N -1 0 348.346 2.674 20 30 EFEDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790864223 1277842191 /nfs/dbraw/zinc/84/21/91/1277842191.db2.gz MPORQPXTUQAQDU-SNAWJCMRSA-N -1 0 346.330 2.738 20 30 EFEDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000790864959 1277843759 /nfs/dbraw/zinc/84/37/59/1277843759.db2.gz UHQMKAQKYWACGX-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM CN(C)c1cc(F)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1[N+](=O)[O-] ZINC000791222059 1277989670 /nfs/dbraw/zinc/98/96/70/1277989670.db2.gz LVKCOHOAPIOSJH-UHFFFAOYSA-N -1 0 344.302 2.629 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)c1 ZINC000844650349 1279136621 /nfs/dbraw/zinc/13/66/21/1279136621.db2.gz WQVKDOHTOQPUNF-HNNXBMFYSA-N -1 0 341.429 2.725 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)CC1 ZINC000871867807 1287330339 /nfs/dbraw/zinc/33/03/39/1287330339.db2.gz SNWNJBIQRFRAAQ-UHFFFAOYSA-N -1 0 329.805 2.687 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000871867115 1287330763 /nfs/dbraw/zinc/33/07/63/1287330763.db2.gz CPGNQODWKVNNAO-UHFFFAOYSA-N -1 0 333.768 2.518 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000871886802 1287340498 /nfs/dbraw/zinc/34/04/98/1287340498.db2.gz DTHZYHGNSNGONA-UHFFFAOYSA-N -1 0 325.430 2.681 20 30 EFEDRM CC[C@@H](NN=C(C)c1ccc(OC)cc1Br)C(=O)[O-] ZINC000793056095 1279331968 /nfs/dbraw/zinc/33/19/68/1279331968.db2.gz CSBOWPZOMFCPJJ-GFCCVEGCSA-N -1 0 329.194 2.635 20 30 EFEDRM CC[C@@H](NN=C1CCOc2c(F)cc(Br)cc21)C(=O)[O-] ZINC000793055572 1279345464 /nfs/dbraw/zinc/34/54/64/1279345464.db2.gz MSDLAAJBDWRXSQ-SNVBAGLBSA-N -1 0 345.168 2.528 20 30 EFEDRM CC[C@@H](NN=C(C)c1ccc(NC(=O)N(CC)CC)cc1)C(=O)[O-] ZINC000793072614 1279357157 /nfs/dbraw/zinc/35/71/57/1279357157.db2.gz OAYNJOUVQKPTHY-OAHLLOKOSA-N -1 0 334.420 2.737 20 30 EFEDRM CC[C@H](NN=Cc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000793073388 1279357409 /nfs/dbraw/zinc/35/74/09/1279357409.db2.gz UPDVCMGGNBAEME-LBPRGKRZSA-N -1 0 336.189 2.784 20 30 EFEDRM CC[C@@H](NN=C(C)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000793072482 1279357923 /nfs/dbraw/zinc/35/79/23/1279357923.db2.gz SVRVVPZPCPGVAE-GFCCVEGCSA-N -1 0 331.185 2.959 20 30 EFEDRM CC[C@@H](NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)[O-] ZINC000793072228 1279358082 /nfs/dbraw/zinc/35/80/82/1279358082.db2.gz MOEVQUMJJUGTPV-QGZVFWFLSA-N -1 0 349.394 2.721 20 30 EFEDRM CC[C@@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)[O-] ZINC000793077845 1279358332 /nfs/dbraw/zinc/35/83/32/1279358332.db2.gz ISIFUZXIAJUGPH-QGZVFWFLSA-N -1 0 349.394 2.721 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(Cc2ccccc2Cl)c1C)C(=O)[O-] ZINC000793077733 1279358733 /nfs/dbraw/zinc/35/87/33/1279358733.db2.gz HEUMKPYGAUXSAF-MRXNPFEDSA-N -1 0 348.834 2.988 20 30 EFEDRM CC[C@H](NN=Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000793077229 1279358856 /nfs/dbraw/zinc/35/88/56/1279358856.db2.gz CDVBOSIUPVGIED-SFHVURJKSA-N -1 0 337.379 2.924 20 30 EFEDRM CC[C@@H](NN=C1CCCOc2cc(Br)ccc21)C(=O)[O-] ZINC000793079303 1279359672 /nfs/dbraw/zinc/35/96/72/1279359672.db2.gz QOQDPUXIKVHDCC-LLVKDONJSA-N -1 0 341.205 2.779 20 30 EFEDRM CC[C@H](NN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000793077998 1279360195 /nfs/dbraw/zinc/36/01/95/1279360195.db2.gz KSTJWKFUWGVVFN-NWDGAFQWSA-N -1 0 327.425 2.653 20 30 EFEDRM CC[C@@H](NN=C1CCOc2c(Br)cc(C)cc21)C(=O)[O-] ZINC000793082001 1279361529 /nfs/dbraw/zinc/36/15/29/1279361529.db2.gz RQNLJGGCUJYLOA-LLVKDONJSA-N -1 0 341.205 2.697 20 30 EFEDRM CC[C@@H](NN=Cc1csc(N(C(C)=O)c2ccccc2)n1)C(=O)[O-] ZINC000793057077 1279366583 /nfs/dbraw/zinc/36/65/83/1279366583.db2.gz ZVZKGJYRHBYBSS-CQSZACIVSA-N -1 0 346.412 2.614 20 30 EFEDRM CC[C@@H](NN=Cc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000793057851 1279367652 /nfs/dbraw/zinc/36/76/52/1279367652.db2.gz QBHCWTSUEURJGP-GOSISDBHSA-N -1 0 337.379 2.924 20 30 EFEDRM CC[C@H](NN=C1CCc2c1c(Br)ccc2F)C(=O)[O-] ZINC000793059150 1279367741 /nfs/dbraw/zinc/36/77/41/1279367741.db2.gz YUHNGUGMSQJVPT-JTQLQIEISA-N -1 0 329.169 2.691 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(-c2ccc(F)cc2F)c1C)C(=O)[O-] ZINC000793058650 1279367845 /nfs/dbraw/zinc/36/78/45/1279367845.db2.gz XNUVZSBQQIBJBV-AWEZNQCLSA-N -1 0 336.342 2.554 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793121873 1279369675 /nfs/dbraw/zinc/36/96/75/1279369675.db2.gz CIRKDNRHAZZEPO-KRWDZBQOSA-N -1 0 326.396 2.511 20 30 EFEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2COC)cc1 ZINC000793127681 1279372500 /nfs/dbraw/zinc/37/25/00/1279372500.db2.gz XIURLAJUCLGVKT-ZDUSSCGKSA-N -1 0 343.408 2.813 20 30 EFEDRM COC(=O)c1cc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)ccc1C ZINC000793098984 1279377027 /nfs/dbraw/zinc/37/70/27/1279377027.db2.gz XWSPMEWHNIXKQM-UHFFFAOYSA-N -1 0 329.312 2.841 20 30 EFEDRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000793136939 1279400081 /nfs/dbraw/zinc/40/00/81/1279400081.db2.gz DIILQRIYOOLSSR-UHFFFAOYSA-N -1 0 332.381 2.534 20 30 EFEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000793195203 1279439220 /nfs/dbraw/zinc/43/92/20/1279439220.db2.gz HVCOFQIZBLZOEV-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)Sc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793197809 1279441404 /nfs/dbraw/zinc/44/14/04/1279441404.db2.gz SKDYPZNFGUGYCC-UHFFFAOYSA-N -1 0 338.454 2.550 20 30 EFEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC(C)(C)C1 ZINC000793196346 1279441453 /nfs/dbraw/zinc/44/14/53/1279441453.db2.gz IUUKVTLQLKNGCG-QWHCGFSZSA-N -1 0 326.462 2.589 20 30 EFEDRM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)n21 ZINC000845441156 1279630597 /nfs/dbraw/zinc/63/05/97/1279630597.db2.gz OXRCXCXJMALOPE-TZMCWYRMSA-N -1 0 328.416 2.552 20 30 EFEDRM C[C@H]1CCCc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)n21 ZINC000845441153 1279630952 /nfs/dbraw/zinc/63/09/52/1279630952.db2.gz OXRCXCXJMALOPE-GXTWGEPZSA-N -1 0 328.416 2.552 20 30 EFEDRM Cc1nc(-c2ccccc2F)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000845441683 1279633280 /nfs/dbraw/zinc/63/32/80/1279633280.db2.gz GXFMPUPOVGJYAJ-LBPRGKRZSA-N -1 0 343.383 2.859 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2 ZINC000845443407 1279634564 /nfs/dbraw/zinc/63/45/64/1279634564.db2.gz CJYCLNWOQSUHNH-OAHLLOKOSA-N -1 0 344.411 2.867 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793417326 1279662402 /nfs/dbraw/zinc/66/24/02/1279662402.db2.gz VGBKIBPJHJIESA-NSHDSACASA-N -1 0 345.355 2.789 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871954974 1287375002 /nfs/dbraw/zinc/37/50/02/1287375002.db2.gz GWSZBZBOBMPFTH-VIFPVBQESA-N -1 0 347.820 2.680 20 30 EFEDRM Cc1cc(S(=O)(=O)N(C)CC(C)(C)C#N)cc(C(=O)[O-])c1Cl ZINC000871967532 1287378979 /nfs/dbraw/zinc/37/89/79/1287378979.db2.gz VKHOIVMOXHSDDD-UHFFFAOYSA-N -1 0 344.820 2.517 20 30 EFEDRM Cc1c(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C#N)cc1C(=O)[O-] ZINC000871967369 1287379405 /nfs/dbraw/zinc/37/94/05/1287379405.db2.gz NEWWPZLVMLOJPH-UHFFFAOYSA-N -1 0 344.820 2.517 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000871993137 1287388526 /nfs/dbraw/zinc/38/85/26/1287388526.db2.gz LUCLQRMNYCLDET-UHFFFAOYSA-N -1 0 343.445 2.571 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1C(C)C ZINC000872005067 1287392854 /nfs/dbraw/zinc/39/28/54/1287392854.db2.gz ZFIGSVFLEGAGNH-UHFFFAOYSA-N -1 0 348.428 2.615 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000846153540 1280039310 /nfs/dbraw/zinc/03/93/10/1280039310.db2.gz JGTQXFAWGJVSJP-VIFPVBQESA-N -1 0 342.342 2.703 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000846153734 1280039376 /nfs/dbraw/zinc/03/93/76/1280039376.db2.gz HOYYRPDLDAKMOV-VIFPVBQESA-N -1 0 346.305 2.665 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000846154674 1280039994 /nfs/dbraw/zinc/03/99/94/1280039994.db2.gz OWLFJTGYVJLPDR-GFCCVEGCSA-N -1 0 347.415 2.540 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000846155372 1280040421 /nfs/dbraw/zinc/04/04/21/1280040421.db2.gz SKMLTQIJMBQPLH-SNVBAGLBSA-N -1 0 345.424 2.736 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000846155436 1280041077 /nfs/dbraw/zinc/04/10/77/1280041077.db2.gz QFKMTHYPYLIOFI-SNVBAGLBSA-N -1 0 333.413 2.981 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000846155509 1280041164 /nfs/dbraw/zinc/04/11/64/1280041164.db2.gz XRTXXAMGYYNKEF-QWRGUYRKSA-N -1 0 337.445 2.609 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000846146143 1280053608 /nfs/dbraw/zinc/05/36/08/1280053608.db2.gz FUNVBUIATWCPQU-UHFFFAOYSA-N -1 0 326.780 2.690 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000846264651 1280091065 /nfs/dbraw/zinc/09/10/65/1280091065.db2.gz NMWCFINFLPNYLK-UHFFFAOYSA-N -1 0 348.424 2.900 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846542860 1280236808 /nfs/dbraw/zinc/23/68/08/1280236808.db2.gz IDHOOOPXIJCCDP-GWNJHRMDSA-N -1 0 348.487 2.966 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000846543778 1280239340 /nfs/dbraw/zinc/23/93/40/1280239340.db2.gz RZMKXZXDAJTMKW-NSHDSACASA-N -1 0 348.424 2.992 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846539985 1280255039 /nfs/dbraw/zinc/25/50/39/1280255039.db2.gz RDJUUUHKLALYRF-NSHDSACASA-N -1 0 343.210 2.970 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747205045 1280345450 /nfs/dbraw/zinc/34/54/50/1280345450.db2.gz OOLWYAVGAOOFPO-CYBMUJFWSA-N -1 0 325.393 2.755 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@H](c1ccc(OC)cc1)C(F)(F)F ZINC000805058486 1280434484 /nfs/dbraw/zinc/43/44/84/1280434484.db2.gz SLXNEPZFDNKMPZ-CYBMUJFWSA-N -1 0 335.347 2.631 20 30 EFEDRM N#CCCCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805135810 1280454162 /nfs/dbraw/zinc/45/41/62/1280454162.db2.gz UFGBZVHEZMBPMW-UHFFFAOYSA-N -1 0 337.228 2.812 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2COC)CCC1 ZINC000806094966 1280969289 /nfs/dbraw/zinc/96/92/89/1280969289.db2.gz PFDVWGCIMWFRIU-UHFFFAOYSA-N -1 0 337.441 2.525 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Br)cs1 ZINC000806099598 1281008726 /nfs/dbraw/zinc/00/87/26/1281008726.db2.gz OESVTVNSINEUKE-UHFFFAOYSA-N -1 0 338.248 2.672 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000123983837 1287471427 /nfs/dbraw/zinc/47/14/27/1287471427.db2.gz NWVUYXZMDLTWNJ-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM COC(=O)c1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806561820 1281096043 /nfs/dbraw/zinc/09/60/43/1281096043.db2.gz AJXLKUAGAIDCPV-QQBNSCQMSA-N -1 0 326.304 2.904 20 30 EFEDRM CNC(=O)c1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806563455 1281096337 /nfs/dbraw/zinc/09/63/37/1281096337.db2.gz XICDFNQKTGJOCT-IDKBZEPQSA-N -1 0 335.359 2.884 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000806566264 1281096798 /nfs/dbraw/zinc/09/67/98/1281096798.db2.gz ZFGYZDPCUUOFPB-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cc(F)ncc2F)cc1CC(=O)[O-] ZINC000806566952 1281098636 /nfs/dbraw/zinc/09/86/36/1281098636.db2.gz CEFBBBBFMSUAAO-RQOWECAXSA-N -1 0 333.290 2.892 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(-n2ccnn2)c1 ZINC000806575606 1281100597 /nfs/dbraw/zinc/10/05/97/1281100597.db2.gz HTDDAQILSZHIIS-FNORWQNLSA-N -1 0 336.307 2.777 20 30 EFEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000123999901 1287477756 /nfs/dbraw/zinc/47/77/56/1287477756.db2.gz AWMCUBCBIAVMLX-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM N#Cc1c[nH]c2cc(NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)ccc12 ZINC001147887270 1281323031 /nfs/dbraw/zinc/32/30/31/1281323031.db2.gz KBOWCAZJUYRBBP-UHFFFAOYSA-N -1 0 343.346 2.771 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000747406919 1281357382 /nfs/dbraw/zinc/35/73/82/1281357382.db2.gz MKLIIMXEXCEFFZ-UHFFFAOYSA-N -1 0 331.184 2.514 20 30 EFEDRM O=S(=O)([N-]c1ccccn1)c1ccc(N=NCCCC2CC2)nc1 ZINC000807962281 1281480459 /nfs/dbraw/zinc/48/04/59/1281480459.db2.gz IBIOSIIZIPZSDX-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000808070935 1281514585 /nfs/dbraw/zinc/51/45/85/1281514585.db2.gz GIJWREDOVONCJO-WEVVVXLNSA-N -1 0 346.364 2.528 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808123757 1281544924 /nfs/dbraw/zinc/54/49/24/1281544924.db2.gz FXJHHRGTMRQXEW-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(Cl)cn1 ZINC000808978079 1281979785 /nfs/dbraw/zinc/97/97/85/1281979785.db2.gz FQROOAYSGWADGH-CYBMUJFWSA-N -1 0 340.770 2.918 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808978081 1281979838 /nfs/dbraw/zinc/97/98/38/1281979838.db2.gz FSHREVINLDDBSS-LLVKDONJSA-N -1 0 327.306 2.729 20 30 EFEDRM Cn1cc(N2CC[C@@H](CN=Nc3ccc(Cl)c(C(=O)[O-])c3)C2)cn1 ZINC000872325870 1287541168 /nfs/dbraw/zinc/54/11/68/1287541168.db2.gz KEYGXUHSBOINNE-NSHDSACASA-N -1 0 347.806 2.696 20 30 EFEDRM O=S(=O)([N-]c1ccccn1)c1ccc(N=NC2CCC[C@@H]2F)nc1 ZINC000872342354 1287545737 /nfs/dbraw/zinc/54/57/37/1287545737.db2.gz MQRNNWQPSZEUSX-LBPRGKRZSA-N -1 0 349.391 2.567 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c(C#N)c2n1CCC2 ZINC000809153742 1282067023 /nfs/dbraw/zinc/06/70/23/1282067023.db2.gz DAZZYYWJFSLGBO-FNORWQNLSA-N -1 0 336.347 2.914 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)ccc1O ZINC000809157351 1282068128 /nfs/dbraw/zinc/06/81/28/1282068128.db2.gz JPBFPDNZRCYCHS-VQHVLOKHSA-N -1 0 335.319 2.567 20 30 EFEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)n1 ZINC000124057130 1287550382 /nfs/dbraw/zinc/55/03/82/1287550382.db2.gz HDJDWTDSLMPTAB-AWEZNQCLSA-N -1 0 325.393 2.720 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000872363963 1287552955 /nfs/dbraw/zinc/55/29/55/1287552955.db2.gz YGSBHBBJQPEAIC-UHFFFAOYSA-N -1 0 345.424 2.811 20 30 EFEDRM N#Cc1cc(Nc2cccc(CN3CCOCC3)c2)c([O-])cc1F ZINC001175866082 1287593472 /nfs/dbraw/zinc/59/34/72/1287593472.db2.gz SXRJTZHAJBFZHY-UHFFFAOYSA-N -1 0 327.359 2.979 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000810001246 1282746398 /nfs/dbraw/zinc/74/63/98/1282746398.db2.gz BTNRZRFJWZDROB-UHFFFAOYSA-N -1 0 337.404 2.579 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000810514986 1283297411 /nfs/dbraw/zinc/29/74/11/1283297411.db2.gz NRQWPAGWHNXOQF-UHFFFAOYSA-N -1 0 349.411 2.869 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000810520176 1283306847 /nfs/dbraw/zinc/30/68/47/1283306847.db2.gz UGMUQRHXCREINR-UHFFFAOYSA-N -1 0 333.331 2.560 20 30 EFEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)s1 ZINC000810561584 1283349059 /nfs/dbraw/zinc/34/90/59/1283349059.db2.gz MHAVGSBHWQLZOY-UHFFFAOYSA-N -1 0 348.449 2.507 20 30 EFEDRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC1 ZINC000810655589 1283433819 /nfs/dbraw/zinc/43/38/19/1283433819.db2.gz TUHQHGVTDDZLOU-UHFFFAOYSA-N -1 0 334.441 2.557 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000810643064 1283453947 /nfs/dbraw/zinc/45/39/47/1283453947.db2.gz GIITYRCTHDIDRH-UHFFFAOYSA-N -1 0 327.471 2.873 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccn1C ZINC000810708881 1283547949 /nfs/dbraw/zinc/54/79/49/1283547949.db2.gz JRLCGEZTMDLNRH-OAHLLOKOSA-N -1 0 343.814 2.880 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc(-c2ccccc2)cc1OC ZINC000810781004 1283586096 /nfs/dbraw/zinc/58/60/96/1283586096.db2.gz AYZYYCOBPCXBOS-UHFFFAOYSA-N -1 0 349.433 2.507 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000810783109 1283587570 /nfs/dbraw/zinc/58/75/70/1283587570.db2.gz FWQHWWCTCJOOEP-UHFFFAOYSA-N -1 0 345.395 2.884 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000810784587 1283587608 /nfs/dbraw/zinc/58/76/08/1283587608.db2.gz KSLPVVYSCNKBBW-UHFFFAOYSA-N -1 0 333.453 2.666 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000810784723 1283587771 /nfs/dbraw/zinc/58/77/71/1283587771.db2.gz NCPJSQXYIDWXKR-SECBINFHSA-N -1 0 334.224 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000810785499 1283587819 /nfs/dbraw/zinc/58/78/19/1283587819.db2.gz JQJHYNPOIBSBKA-CVEARBPZSA-N -1 0 343.489 2.611 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000810785091 1283588050 /nfs/dbraw/zinc/58/80/50/1283588050.db2.gz WSSPHSUMQLTAKO-OLZOCXBDSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1SCC ZINC000810777767 1283632912 /nfs/dbraw/zinc/63/29/12/1283632912.db2.gz OMWNPFUQVOZROG-UHFFFAOYSA-N -1 0 331.846 2.535 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000810775811 1283633517 /nfs/dbraw/zinc/63/35/17/1283633517.db2.gz VBVPVXRHLGAHMR-UHFFFAOYSA-N -1 0 349.358 2.715 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000810777389 1283633872 /nfs/dbraw/zinc/63/38/72/1283633872.db2.gz BGHUVACAKQCWCT-RYUDHWBXSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000810777332 1283634022 /nfs/dbraw/zinc/63/40/22/1283634022.db2.gz ACKLJWVBRAVLGZ-UHFFFAOYSA-N -1 0 345.445 2.921 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000810774442 1283634620 /nfs/dbraw/zinc/63/46/20/1283634620.db2.gz ZMVBCEIBDCATPV-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cccc(Nc2ccccc2)c1 ZINC000810774279 1283634685 /nfs/dbraw/zinc/63/46/85/1283634685.db2.gz GKUCTCFVEVDVLR-UHFFFAOYSA-N -1 0 328.393 2.513 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000810779283 1283645048 /nfs/dbraw/zinc/64/50/48/1283645048.db2.gz GZGKVOGAUXYVSH-UHFFFAOYSA-N -1 0 342.420 2.504 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000810780265 1283645879 /nfs/dbraw/zinc/64/58/79/1283645879.db2.gz VYELFXMBEGZUJT-UHFFFAOYSA-N -1 0 339.844 2.621 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Nc1ccc(C)cc1 ZINC000810779871 1283648536 /nfs/dbraw/zinc/64/85/36/1283648536.db2.gz FBQCKRVBQPSFBU-UHFFFAOYSA-N -1 0 342.420 2.822 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000810979617 1283883777 /nfs/dbraw/zinc/88/37/77/1283883777.db2.gz GBLUXLVGKXGBSV-UHFFFAOYSA-N -1 0 337.416 2.802 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(CSC)cc2)CC1 ZINC000810979471 1283883801 /nfs/dbraw/zinc/88/38/01/1283883801.db2.gz DOYSLXFXVHHSSG-UHFFFAOYSA-N -1 0 325.455 2.718 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000810980264 1283884677 /nfs/dbraw/zinc/88/46/77/1283884677.db2.gz SXZTUOXGCZXDRH-UHFFFAOYSA-N -1 0 349.330 2.754 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCn2ccc3ccccc32)CC1 ZINC000810980410 1283885739 /nfs/dbraw/zinc/88/57/39/1283885739.db2.gz WRHSGKRXHJETHL-UHFFFAOYSA-N -1 0 332.425 2.586 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cn2c(C)cc3ccccc32)CC1 ZINC000810981352 1283885867 /nfs/dbraw/zinc/88/58/67/1283885867.db2.gz AJCOOJGOWOASHX-UHFFFAOYSA-N -1 0 332.425 2.504 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cncc3ccccc32)CC1 ZINC000810981623 1283885902 /nfs/dbraw/zinc/88/59/02/1283885902.db2.gz UTWOYQRHYSVVEQ-UHFFFAOYSA-N -1 0 344.436 2.722 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000810982001 1283907053 /nfs/dbraw/zinc/90/70/53/1283907053.db2.gz JRBTYELSCFPYQW-UHFFFAOYSA-N -1 0 330.409 2.646 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000810983636 1283907624 /nfs/dbraw/zinc/90/76/24/1283907624.db2.gz DYHNNBWYZCVEND-UHFFFAOYSA-N -1 0 337.416 2.703 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOCc2ccccc2)CC1 ZINC000810982057 1283907653 /nfs/dbraw/zinc/90/76/53/1283907653.db2.gz XTSSTNBCVXRHOL-UHFFFAOYSA-N -1 0 337.441 2.538 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC000810984536 1283909219 /nfs/dbraw/zinc/90/92/19/1283909219.db2.gz DWYSSJUWBOTFFB-ZDUSSCGKSA-N -1 0 329.462 2.669 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)Oc2ccccc2F)CC1 ZINC000810984140 1283911180 /nfs/dbraw/zinc/91/11/80/1283911180.db2.gz STTFHFSRAZKIQG-CYBMUJFWSA-N -1 0 341.404 2.538 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC000810986443 1283913376 /nfs/dbraw/zinc/91/33/76/1283913376.db2.gz ZTPKKPUZYCJVTM-LBPRGKRZSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000810985910 1283914076 /nfs/dbraw/zinc/91/40/76/1283914076.db2.gz UUCLBSBXHRHFNE-UHFFFAOYSA-N -1 0 337.416 2.802 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2OCC2CC2)CC1 ZINC000810986921 1283914848 /nfs/dbraw/zinc/91/48/48/1283914848.db2.gz RTICSUNSJXINDM-UHFFFAOYSA-N -1 0 335.425 2.644 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2OCC(C)C)CC1 ZINC000810986920 1283915125 /nfs/dbraw/zinc/91/51/25/1283915125.db2.gz RTBJRYHTDALZGA-UHFFFAOYSA-N -1 0 337.441 2.890 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3ccc(OC)cc3c2C)CC1 ZINC000810986044 1283915303 /nfs/dbraw/zinc/91/53/03/1283915303.db2.gz XTGPAYUWZDEKJR-UHFFFAOYSA-N -1 0 349.408 2.918 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSc2ccc(C)cc2C)CC1 ZINC000810988777 1283915337 /nfs/dbraw/zinc/91/53/37/1283915337.db2.gz WWTGQTIYSSMTCI-UHFFFAOYSA-N -1 0 339.482 2.950 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)Oc2ccccc2C)CC1 ZINC000810988393 1283915362 /nfs/dbraw/zinc/91/53/62/1283915362.db2.gz PAYMJFAHVBMFEE-AWEZNQCLSA-N -1 0 337.441 2.707 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)OC2CCCCC2)CC1 ZINC000810987630 1283915451 /nfs/dbraw/zinc/91/54/51/1283915451.db2.gz SNNHHIRAYRJCNN-AWEZNQCLSA-N -1 0 329.462 2.669 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCc2ccccc2F)CC1 ZINC000810987885 1283915549 /nfs/dbraw/zinc/91/55/49/1283915549.db2.gz CYEZGHIEVHYZAO-ZDUSSCGKSA-N -1 0 339.432 2.949 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000810988124 1283916788 /nfs/dbraw/zinc/91/67/88/1283916788.db2.gz JEYUJHHFFPAYTG-NSHDSACASA-N -1 0 343.832 2.662 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000810988044 1283916822 /nfs/dbraw/zinc/91/68/22/1283916822.db2.gz IDDZJWXCOQEWAU-AAEUAGOBSA-N -1 0 341.379 2.623 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3ccccn3)c2)C(=O)O1 ZINC000747698086 1284238173 /nfs/dbraw/zinc/23/81/73/1284238173.db2.gz HHBKUYXMBMMNIH-QWUACUGRSA-N -1 0 333.343 2.977 20 30 EFEDRM CC[C@@H](O)CNN=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000811655432 1284462927 /nfs/dbraw/zinc/46/29/27/1284462927.db2.gz NUXSAQPMFBDRBI-CQSZACIVSA-N -1 0 346.383 2.560 20 30 EFEDRM C[C@@H]1C(=NNc2cnnc([O-])c2Cl)CCN1Cc1ccccc1 ZINC000811637129 1284467547 /nfs/dbraw/zinc/46/75/47/1284467547.db2.gz UDSCSDIVFPDBGP-LLVKDONJSA-N -1 0 331.807 2.898 20 30 EFEDRM COc1cc(C=NN[C@H](C)COc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000811666249 1284494614 /nfs/dbraw/zinc/49/46/14/1284494614.db2.gz BARBYJIUGNKKRL-GFCCVEGCSA-N -1 0 345.355 2.700 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000811683511 1284510509 /nfs/dbraw/zinc/51/05/09/1284510509.db2.gz WIKCFLBIMMITTJ-UHFFFAOYSA-N -1 0 343.404 2.510 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(O)cc(C(F)(F)F)c2)C(=O)O1 ZINC000811684667 1284512569 /nfs/dbraw/zinc/51/25/69/1284512569.db2.gz AKEFIPFZMCWTMP-BAABZTOOSA-N -1 0 340.253 2.639 20 30 EFEDRM COc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)ccc1OCC(=O)[O-] ZINC000811695450 1284540644 /nfs/dbraw/zinc/54/06/44/1284540644.db2.gz GOFQHQNQVSXBDY-GIDUJCDVSA-N -1 0 349.342 2.853 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1 ZINC000811822778 1284681751 /nfs/dbraw/zinc/68/17/51/1284681751.db2.gz HIIRIYHTBKLMRG-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000811824113 1284687699 /nfs/dbraw/zinc/68/76/99/1284687699.db2.gz ILVYADPHTOZTPF-UHFFFAOYSA-N -1 0 349.441 2.653 20 30 EFEDRM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cocn1 ZINC000105756497 1285135754 /nfs/dbraw/zinc/13/57/54/1285135754.db2.gz ZLACSTOQNFFEPZ-JTQLQIEISA-N -1 0 337.307 2.950 20 30 EFEDRM C#CCO[N-]C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000812783062 1285417144 /nfs/dbraw/zinc/41/71/44/1285417144.db2.gz WVOYXTBVAABENW-UHFFFAOYSA-N -1 0 334.331 2.615 20 30 EFEDRM C#CCO[N-]C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000812784429 1285417258 /nfs/dbraw/zinc/41/72/58/1285417258.db2.gz NNYURTGELJELJP-UHFFFAOYSA-N -1 0 335.816 2.607 20 30 EFEDRM C=C(C)Cn1c(SCC(=O)[N-]OC2CCC2)nnc1-c1ccco1 ZINC000812794375 1285438846 /nfs/dbraw/zinc/43/88/46/1285438846.db2.gz AYLKRUVYGIBKRY-UHFFFAOYSA-N -1 0 348.428 2.807 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000814017112 1286238893 /nfs/dbraw/zinc/23/88/93/1286238893.db2.gz WFVBIMFFWACUJN-AWEZNQCLSA-N -1 0 334.422 2.831 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C ZINC000814020707 1286241947 /nfs/dbraw/zinc/24/19/47/1286241947.db2.gz MHOUEAUGDIBGGW-HNNXBMFYSA-N -1 0 332.381 2.671 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2cccc(Br)c2)o1 ZINC000814231265 1286428950 /nfs/dbraw/zinc/42/89/50/1286428950.db2.gz RYTLPRUFXITYHX-UHFFFAOYSA-N -1 0 349.144 2.594 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000814233307 1286429007 /nfs/dbraw/zinc/42/90/07/1286429007.db2.gz KKVRZWYGGAREDF-UHFFFAOYSA-N -1 0 338.245 2.850 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000814232780 1286429617 /nfs/dbraw/zinc/42/96/17/1286429617.db2.gz LXAFBFHZOZVLBD-UHFFFAOYSA-N -1 0 344.758 2.804 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CC3CCC2CC3)n1 ZINC000814496325 1286705940 /nfs/dbraw/zinc/70/59/40/1286705940.db2.gz PLOOPIWFJVGYJR-CLRIEMFWSA-N -1 0 332.425 2.997 20 30 EFEDRM CC1(C#N)CCC([NH2+]C2(P(=O)([O-])[O-])Cc3ccccc3C2)CC1 ZINC001173586087 1286708037 /nfs/dbraw/zinc/70/80/37/1286708037.db2.gz HIWSQYDFHPKHEY-UHFFFAOYSA-N -1 0 334.356 2.721 20 30 EFEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000814681053 1286891271 /nfs/dbraw/zinc/89/12/71/1286891271.db2.gz VEQLNPCWNOOZMX-UHFFFAOYSA-N -1 0 341.433 2.547 20 30 EFEDRM CCC(=NNC(=S)NC)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814692131 1286941513 /nfs/dbraw/zinc/94/15/13/1286941513.db2.gz IRUWUKWCBTXCGU-UHFFFAOYSA-N -1 0 337.445 2.528 20 30 EFEDRM O=C([O-])c1cccc(C=NN2C(=O)c3ccccc3C2=O)c1Cl ZINC000814692100 1286942432 /nfs/dbraw/zinc/94/24/32/1286942432.db2.gz XXXKKCWBFSPQGP-UHFFFAOYSA-N -1 0 328.711 2.668 20 30 EFEDRM Cc1ccc(S(=O)(=O)NN=Cc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000814691790 1286943652 /nfs/dbraw/zinc/94/36/52/1286943652.db2.gz REGCVCPTPXPOPD-UHFFFAOYSA-N -1 0 346.408 2.622 20 30 EFEDRM C=CCNC(=S)NN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814715395 1286960205 /nfs/dbraw/zinc/96/02/05/1286960205.db2.gz UELGUWWWMGAKFS-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(=NNC(=S)NC2CCCCC2)C1 ZINC000814715763 1286960298 /nfs/dbraw/zinc/96/02/98/1286960298.db2.gz JVPWPYURTRVBOV-UHFFFAOYSA-N -1 0 345.468 2.956 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000814715975 1286960523 /nfs/dbraw/zinc/96/05/23/1286960523.db2.gz UELCZHPYPIFOQZ-ZYHUDNBSSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814721840 1286965493 /nfs/dbraw/zinc/96/54/93/1286965493.db2.gz YGMFNRKSBZPAHX-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Br)o1 ZINC000814723164 1286966428 /nfs/dbraw/zinc/96/64/28/1286966428.db2.gz AFNOGSDPLNBZKU-UHFFFAOYSA-N -1 0 341.112 2.823 20 30 EFEDRM Cc1nnc(N=NC(C)Cc2ccc(Br)cc2)[n-]c1=O ZINC000814735119 1286978430 /nfs/dbraw/zinc/97/84/30/1286978430.db2.gz RBJGIWSQEGHFMG-UHFFFAOYSA-N -1 0 336.193 2.679 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000814765811 1287010677 /nfs/dbraw/zinc/01/06/77/1287010677.db2.gz TWZBJGJLIQVYQI-ZDUSSCGKSA-N -1 0 346.412 2.616 20 30 EFEDRM Cn1c(=O)sc2cc(C=NNc3ccccc3C(=O)[O-])ccc21 ZINC000814769193 1287012780 /nfs/dbraw/zinc/01/27/80/1287012780.db2.gz WERQCPRYBODSLF-UHFFFAOYSA-N -1 0 327.365 2.744 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(C)nc2sccc2c1=O ZINC000814770781 1287016534 /nfs/dbraw/zinc/01/65/34/1287016534.db2.gz GFMCVHZWHZAWNM-UHFFFAOYSA-N -1 0 341.392 2.964 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1cnccn1 ZINC000814797645 1287028171 /nfs/dbraw/zinc/02/81/71/1287028171.db2.gz SFNYLMDXNJEWIO-CYBMUJFWSA-N -1 0 328.372 2.749 20 30 EFEDRM CC(N=Nc1cn[nH]c(=O)c1Cl)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814782992 1287036334 /nfs/dbraw/zinc/03/63/34/1287036334.db2.gz SJNINXJBTILOOR-BDAKNGLRSA-N -1 0 326.784 2.760 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNC(=S)NCC(F)(F)F ZINC000814822210 1287055676 /nfs/dbraw/zinc/05/56/76/1287055676.db2.gz UXXKMYDEINRYSI-UHFFFAOYSA-N -1 0 327.372 2.814 20 30 EFEDRM CC(=NNC(=S)NCC(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814822268 1287056155 /nfs/dbraw/zinc/05/61/55/1287056155.db2.gz KUGJQGRJOSAASK-BDAKNGLRSA-N -1 0 339.383 2.526 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1nc(-c2ccncc2)no1 ZINC000814827378 1287065327 /nfs/dbraw/zinc/06/53/27/1287065327.db2.gz HKXKEKFMQZERIY-UHFFFAOYSA-N -1 0 337.339 2.893 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccc([N+](=O)[O-])cn1 ZINC000814805816 1287074949 /nfs/dbraw/zinc/07/49/49/1287074949.db2.gz JFCIAMHUZJKRFU-UHFFFAOYSA-N -1 0 326.312 2.841 20 30 EFEDRM C[C@H]1C(N=Nc2ccc(-n3cccn3)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814806842 1287076136 /nfs/dbraw/zinc/07/61/36/1287076136.db2.gz TYBNNEFYUQQXKQ-NWDGAFQWSA-N -1 0 342.403 2.587 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccc(-n2cccn2)nn1 ZINC000814806952 1287076369 /nfs/dbraw/zinc/07/63/69/1287076369.db2.gz YNOPRKDARHGOEE-UHFFFAOYSA-N -1 0 348.366 2.513 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814831706 1287078447 /nfs/dbraw/zinc/07/84/47/1287078447.db2.gz NLPJALRPRPPJSP-IAQYHMDHSA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCC2CCC2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814833396 1287082452 /nfs/dbraw/zinc/08/24/52/1287082452.db2.gz HYGUHYXNASUMJF-ZYHUDNBSSA-N -1 0 325.478 2.764 20 30 EFEDRM CC(=NNC(=S)N(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814844268 1287094004 /nfs/dbraw/zinc/09/40/04/1287094004.db2.gz GRTYKLOXFYERHF-UHFFFAOYSA-N -1 0 333.413 2.528 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CC[C@H](Cc3ccccc3)C1)[n-]c2=O ZINC000814848678 1287097102 /nfs/dbraw/zinc/09/71/02/1287097102.db2.gz ZJNXMEDYULRRCB-CYBMUJFWSA-N -1 0 336.399 2.880 20 30 EFEDRM CC(N=Nc1nccnc1Cl)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814850298 1287097873 /nfs/dbraw/zinc/09/78/73/1287097873.db2.gz HWUHNKLCDIRGJR-SNVBAGLBSA-N -1 0 334.763 2.818 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1-c1ccccn1 ZINC001174673777 1287108232 /nfs/dbraw/zinc/10/82/32/1287108232.db2.gz NXPSLFSNBAWGLA-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM CC(=NNCC(C)C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814892442 1287130505 /nfs/dbraw/zinc/13/05/05/1287130505.db2.gz UFYDKBXRTKTKAY-UHFFFAOYSA-N -1 0 343.221 2.882 20 30 EFEDRM C[C@H]1C(=NNCCC(=O)OC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000814901778 1287141806 /nfs/dbraw/zinc/14/18/06/1287141806.db2.gz XBKCSRSQONPJHA-NWDGAFQWSA-N -1 0 326.437 2.821 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(=Nn2cc(Br)cn2)C1 ZINC000814884677 1287151898 /nfs/dbraw/zinc/15/18/98/1287151898.db2.gz TVUVIMOAWYFQEZ-UHFFFAOYSA-N -1 0 334.173 2.666 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2ccccn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814882122 1287152358 /nfs/dbraw/zinc/15/23/58/1287152358.db2.gz DODBSBDADQEORE-MNOVXSKESA-N -1 0 334.445 2.881 20 30 EFEDRM CC(=NNCCc1ccncc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814924830 1287157329 /nfs/dbraw/zinc/15/73/29/1287157329.db2.gz DFSCAJIYSMOMHG-UHFFFAOYSA-N -1 0 341.411 2.882 20 30 EFEDRM C=C(C)CNN=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814932904 1287165436 /nfs/dbraw/zinc/16/54/36/1287165436.db2.gz XHPRYRTYVIEZIU-UHFFFAOYSA-N -1 0 341.205 2.802 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ncncc1F ZINC000814940454 1287168559 /nfs/dbraw/zinc/16/85/59/1287168559.db2.gz XYFJZDOYZHCXCT-LBPRGKRZSA-N -1 0 346.362 2.888 20 30 EFEDRM C[C@@H]1CC(N=Nc2nnc(-c3ccccn3)s2)CC[C@H]1C(=O)[O-] ZINC000814911211 1287172778 /nfs/dbraw/zinc/17/27/78/1287172778.db2.gz XBRQYXKXJLVJDF-MWLCHTKSSA-N -1 0 331.401 2.889 20 30 EFEDRM C[C@H]1CC(N=Nc2nnc(-c3ccccn3)s2)CC[C@H]1C(=O)[O-] ZINC000814911209 1287172782 /nfs/dbraw/zinc/17/27/82/1287172782.db2.gz XBRQYXKXJLVJDF-GXSJLCMTSA-N -1 0 331.401 2.889 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOC[C@H]1CCOC1 ZINC000814912284 1287173204 /nfs/dbraw/zinc/17/32/04/1287173204.db2.gz OTERJYOTUOHPPM-INIZCTEOSA-N -1 0 335.400 2.902 20 30 EFEDRM O=C1Nc2cccc(Cl)c2C1=N[N-]c1nc(-c2cccnc2)no1 ZINC000814949434 1287181345 /nfs/dbraw/zinc/18/13/45/1287181345.db2.gz KVXMETUQEYNSIC-UHFFFAOYSA-N -1 0 340.730 2.553 20 30 EFEDRM O=C([O-])CNN=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000814956924 1287184598 /nfs/dbraw/zinc/18/45/98/1287184598.db2.gz PSMMPDLJRTWYFK-UHFFFAOYSA-N -1 0 331.759 2.600 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000815877792 1287864300 /nfs/dbraw/zinc/86/43/00/1287864300.db2.gz HMBBNTSTFIQLMW-OAHLLOKOSA-N -1 0 335.363 2.646 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000815891984 1287885333 /nfs/dbraw/zinc/88/53/33/1287885333.db2.gz BSRALFXNEJMGRW-UHFFFAOYSA-N -1 0 325.336 2.856 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cs1 ZINC000816037358 1287949841 /nfs/dbraw/zinc/94/98/41/1287949841.db2.gz LHPPHQQSQZBUGA-OAHLLOKOSA-N -1 0 340.404 2.898 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816107735 1287978288 /nfs/dbraw/zinc/97/82/88/1287978288.db2.gz PCDYZEJRCIJSJF-GDBMZVCRSA-N -1 0 339.457 2.811 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)nc1C#N ZINC001176587406 1288028115 /nfs/dbraw/zinc/02/81/15/1288028115.db2.gz ZATBMNMCRODWKT-UHFFFAOYSA-N -1 0 339.742 2.733 20 30 EFEDRM N#Cc1cc2cccnc2nc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672231 1288064648 /nfs/dbraw/zinc/06/46/48/1288064648.db2.gz KBVJYDDKBNMHKO-UHFFFAOYSA-N -1 0 335.279 2.851 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674167 1288064690 /nfs/dbraw/zinc/06/46/90/1288064690.db2.gz FTIGAJSZIXQPHL-UHFFFAOYSA-N -1 0 347.308 2.756 20 30 EFEDRM COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C#N)c1 ZINC001176679967 1288068077 /nfs/dbraw/zinc/06/80/77/1288068077.db2.gz UIQDZPPJQFDYBA-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)[O-] ZINC000150257991 1289170919 /nfs/dbraw/zinc/17/09/19/1289170919.db2.gz NTJBCBYYTQUDCL-GFCCVEGCSA-N -1 0 338.201 2.626 20 30 EFEDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C#N)cc1C(C)=O ZINC000817352808 1288547131 /nfs/dbraw/zinc/54/71/31/1288547131.db2.gz MWAJYYJRPFSCDR-AWEZNQCLSA-N -1 0 338.429 2.564 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817330665 1288551626 /nfs/dbraw/zinc/55/16/26/1288551626.db2.gz ZUYKORCICOWNSY-UHFFFAOYSA-N -1 0 338.371 2.550 20 30 EFEDRM N#C[C@@H](Cc1cccs1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001177915677 1288589795 /nfs/dbraw/zinc/58/97/95/1288589795.db2.gz ASRRCGJGZJOULB-GFCCVEGCSA-N -1 0 338.392 2.960 20 30 EFEDRM N#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000821582153 1288751768 /nfs/dbraw/zinc/75/17/68/1288751768.db2.gz FFYUMZLWQGIFIV-UHFFFAOYSA-N -1 0 338.772 2.573 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821555842 1288754405 /nfs/dbraw/zinc/75/44/05/1288754405.db2.gz JZFOAXPTVMBDOJ-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM C=C(Br)CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000872914461 1289462496 /nfs/dbraw/zinc/46/24/96/1289462496.db2.gz IUVDAOPUSVBZDF-GFCCVEGCSA-N -1 0 332.219 2.505 20 30 EFEDRM N=C(Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC001171051503 1289586897 /nfs/dbraw/zinc/58/68/97/1289586897.db2.gz MXYVGLWXPJDUMN-UHFFFAOYSA-N -1 0 336.307 2.878 20 30 EFEDRM Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2O)CC1=O ZINC001180675046 1289604181 /nfs/dbraw/zinc/60/41/81/1289604181.db2.gz ZMOBWPOHXQTBLW-HNNXBMFYSA-N -1 0 349.390 2.872 20 30 EFEDRM CCCOc1ccc([C@H](O)C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001180837505 1289635625 /nfs/dbraw/zinc/63/56/25/1289635625.db2.gz ITSUXPSBHRZUQB-KRWDZBQOSA-N -1 0 344.342 2.864 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000805869324 1289708597 /nfs/dbraw/zinc/70/85/97/1289708597.db2.gz WGLDZYXLUDTCBD-UHFFFAOYSA-N -1 0 332.425 2.894 20 30 EFEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)NC(C)C)c2)cc1 ZINC000124569053 1289926889 /nfs/dbraw/zinc/92/68/89/1289926889.db2.gz RONZUAAZQTXIFH-KRWDZBQOSA-N -1 0 337.379 2.604 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1F ZINC001232674270 1312757548 /nfs/dbraw/zinc/75/75/48/1312757548.db2.gz VCUWODXEXSUDEL-HUUCEWRRSA-N -1 0 349.406 2.701 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2cc(C#N)ccc2[O-])C[C@H](F)C1 ZINC001232676109 1312758290 /nfs/dbraw/zinc/75/82/90/1312758290.db2.gz ZHNRYVSWZSDXGO-HNNXBMFYSA-N -1 0 349.406 2.655 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC000873934075 1290127958 /nfs/dbraw/zinc/12/79/58/1290127958.db2.gz HFJIVNQAVZLGQC-SNVBAGLBSA-N -1 0 330.306 2.883 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCc3ncc(Br)cc3C2)c1 ZINC001232679832 1312760526 /nfs/dbraw/zinc/76/05/26/1312760526.db2.gz SXJPTUDBMHEIMO-UHFFFAOYSA-N -1 0 344.212 2.980 20 30 EFEDRM COC(=O)[C@H](CC(=O)Nc1ccc(C#N)cc1O)Cc1ccccc1 ZINC001182803712 1290249579 /nfs/dbraw/zinc/24/95/79/1290249579.db2.gz XTTKJZHLTKCCSZ-HNNXBMFYSA-N -1 0 338.363 2.624 20 30 EFEDRM CCCCN(C)c1ccc(C(=O)[N-]S(=O)(=O)CCOCC)cc1 ZINC000091695885 1290333678 /nfs/dbraw/zinc/33/36/78/1290333678.db2.gz CYHWNADYOZTMGX-UHFFFAOYSA-N -1 0 342.461 2.594 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccnc1OCC(C)C ZINC000091696366 1290333878 /nfs/dbraw/zinc/33/38/78/1290333878.db2.gz CPFSCKUZMRQPAC-UHFFFAOYSA-N -1 0 328.434 2.939 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC001184695754 1290494196 /nfs/dbraw/zinc/49/41/96/1290494196.db2.gz GZQRCTXXHAGMAW-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM C=C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001184732871 1290506745 /nfs/dbraw/zinc/50/67/45/1290506745.db2.gz AVHHKYXQXUCWNL-MRXNPFEDSA-N -1 0 331.393 2.899 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184880833 1290545326 /nfs/dbraw/zinc/54/53/26/1290545326.db2.gz SOZGCMJTAVLJII-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135237 1290601539 /nfs/dbraw/zinc/60/15/39/1290601539.db2.gz NUSATGCUHHNXCF-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1ccc(-c2nc(SCCCC#N)[n-]c(=O)c2C#N)cc1 ZINC000125581320 1290645451 /nfs/dbraw/zinc/64/54/51/1290645451.db2.gz MBTQQDBATGRJKP-UHFFFAOYSA-N -1 0 326.381 2.713 20 30 EFEDRM N#Cc1cnc(CNS(=O)(=O)c2cc3ccccc3s2)s1 ZINC001185481648 1290687627 /nfs/dbraw/zinc/68/76/27/1290687627.db2.gz SPDPGBZLVLVKEC-UHFFFAOYSA-N -1 0 335.435 2.708 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)ccc1Cl ZINC001185495039 1290690820 /nfs/dbraw/zinc/69/08/20/1290690820.db2.gz XATCUAYYSPSNLR-UHFFFAOYSA-N -1 0 346.799 2.896 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001186001350 1290806239 /nfs/dbraw/zinc/80/62/39/1290806239.db2.gz SPASDSKPKTUETB-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cccc([S-])c1 ZINC001186152251 1290883149 /nfs/dbraw/zinc/88/31/49/1290883149.db2.gz IZUGYNBAUJKIAU-UHFFFAOYSA-N -1 0 325.393 2.767 20 30 EFEDRM Cc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1-c1ccccc1 ZINC001186212479 1290913163 /nfs/dbraw/zinc/91/31/63/1290913163.db2.gz PUTIIXDWTCNOPT-UHFFFAOYSA-N -1 0 346.390 2.533 20 30 EFEDRM COc1ccc(COCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000092844131 1290913220 /nfs/dbraw/zinc/91/32/20/1290913220.db2.gz JJJYRPULQPYBJT-WOJGMQOQSA-N -1 0 330.340 2.945 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186261288 1290915327 /nfs/dbraw/zinc/91/53/27/1290915327.db2.gz LRPFOEOZORXHPD-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#C[C@H]1C[C@H]1C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001186976615 1291066772 /nfs/dbraw/zinc/06/67/72/1291066772.db2.gz DYFVSNCFMMJEGE-GDBMZVCRSA-N -1 0 348.358 2.643 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000093243064 1291082037 /nfs/dbraw/zinc/08/20/37/1291082037.db2.gz FQIIBTXMWSOIFM-UHFFFAOYSA-N -1 0 340.788 2.827 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000093243241 1291082202 /nfs/dbraw/zinc/08/22/02/1291082202.db2.gz WQINAMLEXXTXTK-UHFFFAOYSA-N -1 0 346.408 2.663 20 30 EFEDRM COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000093247023 1291082635 /nfs/dbraw/zinc/08/26/35/1291082635.db2.gz BIOULRANVQQWGD-UHFFFAOYSA-N -1 0 344.751 2.576 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187104758 1291092765 /nfs/dbraw/zinc/09/27/65/1291092765.db2.gz UVBJMXABBYPLMK-UHFFFAOYSA-N -1 0 344.830 2.783 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C#N)cc1C(F)(F)F ZINC001187369867 1291152635 /nfs/dbraw/zinc/15/26/35/1291152635.db2.gz ZPZDQEKYNJGUAW-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#CCCN(CCC#N)Cc1c([O-])cc(Br)cc1F ZINC001233030456 1312835847 /nfs/dbraw/zinc/83/58/47/1312835847.db2.gz ULFVZHGJWPGUPZ-UHFFFAOYSA-N -1 0 326.169 2.923 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1nccs1 ZINC001187891273 1291265882 /nfs/dbraw/zinc/26/58/82/1291265882.db2.gz SSFLELYQWNLSSN-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nnc(C(F)(F)F)n1C ZINC001187993446 1291280688 /nfs/dbraw/zinc/28/06/88/1291280688.db2.gz WPWWVAMPMJDNIK-UHFFFAOYSA-N -1 0 342.387 2.936 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188070842 1291304385 /nfs/dbraw/zinc/30/43/85/1291304385.db2.gz GCUDGULXQVJIDF-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM COc1ccc(C(=NC(=O)c2c(C)ccc(C(C)C)c2[O-])NO)nc1 ZINC001188188070 1291325262 /nfs/dbraw/zinc/32/52/62/1291325262.db2.gz UKOQYSCJKWATFI-UHFFFAOYSA-N -1 0 343.383 2.793 20 30 EFEDRM C=CCOCc1nn(C)c2c1CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233073804 1312848581 /nfs/dbraw/zinc/84/85/81/1312848581.db2.gz DEFINHABOKITDY-UHFFFAOYSA-N -1 0 349.381 2.665 20 30 EFEDRM N#Cc1cnn(-c2ccc(Cl)cc2)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188577320 1291424622 /nfs/dbraw/zinc/42/46/22/1291424622.db2.gz ZIMYVOQHFPXABW-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM O=C(Nc1ccccc1N1CCCCCC1)N[C@H]1CCCN(O)C1=O ZINC000878120779 1291505930 /nfs/dbraw/zinc/50/59/30/1291505930.db2.gz BLGJWESFHMTNCH-HNNXBMFYSA-N -1 0 346.431 2.569 20 30 EFEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188976241 1291514521 /nfs/dbraw/zinc/51/45/21/1291514521.db2.gz CVOCDIJBXFKELV-UHFFFAOYSA-N -1 0 333.182 2.612 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1C#N ZINC001189346921 1291665488 /nfs/dbraw/zinc/66/54/88/1291665488.db2.gz ASJMPSSJESPDBJ-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)nc2C)c1 ZINC001189577343 1291768727 /nfs/dbraw/zinc/76/87/27/1291768727.db2.gz PGTBGYQUXRLECX-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c1 ZINC001189610686 1291783343 /nfs/dbraw/zinc/78/33/43/1291783343.db2.gz LUWCNXHZKRIWJP-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1c[nH]c2cc(NC(=O)c3ccccc3S(=O)(=O)[O-])ccc12 ZINC001189694174 1291816584 /nfs/dbraw/zinc/81/65/84/1291816584.db2.gz KOBTXPBIRREFKX-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)cc1 ZINC000878855387 1291826537 /nfs/dbraw/zinc/82/65/37/1291826537.db2.gz JIVPDFCLZNAEJU-HNNXBMFYSA-N -1 0 335.404 2.613 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C#N)c1C ZINC001189781915 1291857769 /nfs/dbraw/zinc/85/77/69/1291857769.db2.gz IQSJCKPNTIZCDI-UHFFFAOYSA-N -1 0 326.324 2.988 20 30 EFEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)CCCF ZINC001189920119 1291918937 /nfs/dbraw/zinc/91/89/37/1291918937.db2.gz SDLYFGAQNYXSEI-UHFFFAOYSA-N -1 0 339.161 2.561 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189956878 1291947741 /nfs/dbraw/zinc/94/77/41/1291947741.db2.gz ANPNBNURMHMMOT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957240 1291948039 /nfs/dbraw/zinc/94/80/39/1291948039.db2.gz LRBGYPGWCYLUDN-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cc(Br)ccc2[S-])cn1 ZINC001189979733 1291957139 /nfs/dbraw/zinc/95/71/39/1291957139.db2.gz ZXMJFLVLCNAPMH-UHFFFAOYSA-N -1 0 348.225 2.934 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ncc(F)cc1F)CCC2 ZINC001190141204 1292002178 /nfs/dbraw/zinc/00/21/78/1292002178.db2.gz KQIQZZUQLLZBKQ-UHFFFAOYSA-N -1 0 341.364 2.582 20 30 EFEDRM COc1cc(O)c(C(=O)N(CC#N)Cc2ccccc2)c(OC)c1 ZINC001190128417 1292016058 /nfs/dbraw/zinc/01/60/58/1292016058.db2.gz GVCFQMQPMXCZQR-UHFFFAOYSA-N -1 0 326.352 2.575 20 30 EFEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ncc(F)cc2F)c1 ZINC001190181511 1292049203 /nfs/dbraw/zinc/04/92/03/1292049203.db2.gz MJUDHLISVWNMGQ-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387878 1292142550 /nfs/dbraw/zinc/14/25/50/1292142550.db2.gz NPVCSISURGWFDZ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190616922 1292228370 /nfs/dbraw/zinc/22/83/70/1292228370.db2.gz AECFKPHKBRZLGF-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(Cl)n1 ZINC001190617835 1292228591 /nfs/dbraw/zinc/22/85/91/1292228591.db2.gz SAEOLNKXVTVWTR-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)cn2)c1 ZINC001190590327 1292237070 /nfs/dbraw/zinc/23/70/70/1292237070.db2.gz HLNFEHNZVVWJFG-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000879762379 1292261307 /nfs/dbraw/zinc/26/13/07/1292261307.db2.gz BFYAMOXVRCORCE-CQSZACIVSA-N -1 0 345.752 2.855 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C)c1 ZINC001190647814 1292262788 /nfs/dbraw/zinc/26/27/88/1292262788.db2.gz BTQZCZJNBNJULZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC001190648110 1292263154 /nfs/dbraw/zinc/26/31/54/1292263154.db2.gz UAZYSWXMWYCLOU-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnco3)cc2)c1 ZINC001190647875 1292264034 /nfs/dbraw/zinc/26/40/34/1292264034.db2.gz LNISKXMVZZJZJL-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc21 ZINC001190655754 1292267922 /nfs/dbraw/zinc/26/79/22/1292267922.db2.gz OEMFJDDKBAGGKX-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc2c1OCCO2 ZINC001190657557 1292270850 /nfs/dbraw/zinc/27/08/50/1292270850.db2.gz CXEZULHZCGRWNQ-UHFFFAOYSA-N -1 0 348.355 2.578 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)CC1 ZINC001190766748 1292307066 /nfs/dbraw/zinc/30/70/66/1292307066.db2.gz XDZGXUFXJBZGBB-UHFFFAOYSA-N -1 0 340.470 2.576 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nc(Br)ccc2OC)CC1 ZINC001190772857 1292308109 /nfs/dbraw/zinc/30/81/09/1292308109.db2.gz LLXDRNQTYOUKCZ-UHFFFAOYSA-N -1 0 347.234 2.703 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2OCCOC)CC1 ZINC001190805684 1292322656 /nfs/dbraw/zinc/32/26/56/1292322656.db2.gz SLCYOOCRGWMZMX-UHFFFAOYSA-N -1 0 329.393 2.701 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2oc(C(C)C)nc2C)n1 ZINC000796181576 1292332263 /nfs/dbraw/zinc/33/22/63/1292332263.db2.gz BIRDIZNSVDUVNI-NSHDSACASA-N -1 0 347.396 2.905 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190896559 1292369143 /nfs/dbraw/zinc/36/91/43/1292369143.db2.gz OAHHKVSWVFCULP-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190926289 1292372594 /nfs/dbraw/zinc/37/25/94/1292372594.db2.gz SBRJBNSQNBOIIO-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nccnc2C2CC2)c1 ZINC001190932530 1292374298 /nfs/dbraw/zinc/37/42/98/1292374298.db2.gz LTMSIYIAJOEEEX-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn3ccnc23)c1 ZINC001190937261 1292378145 /nfs/dbraw/zinc/37/81/45/1292378145.db2.gz GEVMYBYYXXDNOX-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939283 1292378227 /nfs/dbraw/zinc/37/82/27/1292378227.db2.gz YPCJDGSCJIEPRP-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM CSc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC001190939091 1292378309 /nfs/dbraw/zinc/37/83/09/1292378309.db2.gz OFSXAISDIKRVKF-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)c1 ZINC001190943203 1292382286 /nfs/dbraw/zinc/38/22/86/1292382286.db2.gz WOKFIFIDSWWVSW-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cnncc32)c1 ZINC001190970122 1292405558 /nfs/dbraw/zinc/40/55/58/1292405558.db2.gz ZVNCLGMLIXEOKL-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2C#N)c1 ZINC001190972529 1292407097 /nfs/dbraw/zinc/40/70/97/1292407097.db2.gz AWMQGPYTTOVTDI-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C#N)c1 ZINC001190981731 1292410522 /nfs/dbraw/zinc/41/05/22/1292410522.db2.gz QYHQTJLZWYSVJX-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190981924 1292411486 /nfs/dbraw/zinc/41/14/86/1292411486.db2.gz USJPJPNZNYILFY-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2C(=O)OC3)c1 ZINC001190981974 1292413117 /nfs/dbraw/zinc/41/31/17/1292413117.db2.gz XMHBIUWFAMHMOE-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1 ZINC001191175224 1292498673 /nfs/dbraw/zinc/49/86/73/1292498673.db2.gz INSZLUSNTHGUGH-UHFFFAOYSA-N -1 0 335.363 2.643 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cncc(C#N)c1 ZINC001191663513 1292609054 /nfs/dbraw/zinc/60/90/54/1292609054.db2.gz OTIOLVYPSYCESJ-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM N#Cc1ccc(NC(=O)c2nc(Br)ccc2[O-])c(C#N)c1 ZINC001191749472 1292648627 /nfs/dbraw/zinc/64/86/27/1292648627.db2.gz UHNNNUXORAYGBU-UHFFFAOYSA-N -1 0 343.140 2.545 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192034063 1292756020 /nfs/dbraw/zinc/75/60/20/1292756020.db2.gz AXCBGNBMFPEFEG-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192041351 1292756795 /nfs/dbraw/zinc/75/67/95/1292756795.db2.gz UQZBQEAMZAZWCB-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)s3)c2)o1 ZINC001192229034 1292842238 /nfs/dbraw/zinc/84/22/38/1292842238.db2.gz AUHKXFTXXUQGPX-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(O)cc(F)c1F ZINC001192651434 1292956689 /nfs/dbraw/zinc/95/66/89/1292956689.db2.gz IOPOVWHNGPZIJP-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192694184 1292992468 /nfs/dbraw/zinc/99/24/68/1292992468.db2.gz CXMDDWZCYXKEMF-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(C3CC3)nn2C)s1 ZINC000903632055 1312972021 /nfs/dbraw/zinc/97/20/21/1312972021.db2.gz JJGSQXQVFHHBTA-UHFFFAOYSA-N -1 0 336.442 2.594 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1 ZINC001192805985 1293055866 /nfs/dbraw/zinc/05/58/66/1293055866.db2.gz ZNALFMNPBLYMGF-UHFFFAOYSA-N -1 0 341.392 2.802 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c1 ZINC001192821323 1293064272 /nfs/dbraw/zinc/06/42/72/1293064272.db2.gz MXVDQIPDZZHYEG-UHFFFAOYSA-N -1 0 341.392 2.802 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2cnccc2Cl)c1C#N ZINC001192854707 1293082105 /nfs/dbraw/zinc/08/21/05/1293082105.db2.gz DPGCMICSBYVGHW-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192900611 1293094635 /nfs/dbraw/zinc/09/46/35/1293094635.db2.gz LTAIYRQSSLUQRI-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cn(Cc2ccccc2)c2ccccc12 ZINC001192942886 1293105922 /nfs/dbraw/zinc/10/59/22/1293105922.db2.gz FFJVDLNXNYURLN-UHFFFAOYSA-N -1 0 325.393 2.955 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccccc1S(=O)(=O)N1CCCC1 ZINC001192942031 1293105942 /nfs/dbraw/zinc/10/59/42/1293105942.db2.gz PCQSMIRRYDFDCV-UHFFFAOYSA-N -1 0 349.437 2.853 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC001192986030 1293116955 /nfs/dbraw/zinc/11/69/55/1293116955.db2.gz SYAQLKVREWGARQ-UHFFFAOYSA-N -1 0 327.562 2.507 20 30 EFEDRM Cc1ccc(NC(=O)OC(C)(C)C)c([N-]S(=O)(=O)CC#N)c1 ZINC001192987951 1293118076 /nfs/dbraw/zinc/11/80/76/1293118076.db2.gz FZWGNSKLQLRDSB-UHFFFAOYSA-N -1 0 325.390 2.607 20 30 EFEDRM CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)CC#N ZINC001192987692 1293118206 /nfs/dbraw/zinc/11/82/06/1293118206.db2.gz BIIWKRSYKFIRIX-UHFFFAOYSA-N -1 0 347.343 2.577 20 30 EFEDRM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)CC#N)c1 ZINC001192988997 1293120050 /nfs/dbraw/zinc/12/00/50/1293120050.db2.gz XAXHGEXFVOGVST-UHFFFAOYSA-N -1 0 328.393 2.800 20 30 EFEDRM N#CCS(=O)(=O)[N-][C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001192994044 1293121392 /nfs/dbraw/zinc/12/13/92/1293121392.db2.gz KTBQHYNCWZURQC-VIFPVBQESA-N -1 0 346.252 2.752 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccc(Br)c(Cl)c1F ZINC001192972099 1293128955 /nfs/dbraw/zinc/12/89/55/1293128955.db2.gz KIMWHKXBDRXHCF-UHFFFAOYSA-N -1 0 327.562 2.507 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001193060317 1293164453 /nfs/dbraw/zinc/16/44/53/1293164453.db2.gz DWEQMXHPAWAYDZ-UHFFFAOYSA-N -1 0 344.820 2.604 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001193107284 1293171316 /nfs/dbraw/zinc/17/13/16/1293171316.db2.gz SIZPFDYXHIJCPY-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2cc(C(F)(F)F)ccc2c1 ZINC001193106937 1293171675 /nfs/dbraw/zinc/17/16/75/1293171675.db2.gz LWVYEZHOHPLENX-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)nc2ccccc12 ZINC001193106794 1293171851 /nfs/dbraw/zinc/17/18/51/1293171851.db2.gz KCIDSQMIYOGUMP-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1F ZINC001193146244 1293185976 /nfs/dbraw/zinc/18/59/76/1293185976.db2.gz JPBDXPNIDZAXSV-YFKPBYRVSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001193146403 1293186262 /nfs/dbraw/zinc/18/62/62/1293186262.db2.gz MNAOZBHNPKCVOB-GFCCVEGCSA-N -1 0 329.381 2.593 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1NC(=O)OC(C)(C)C ZINC001193150499 1293187641 /nfs/dbraw/zinc/18/76/41/1293187641.db2.gz GQEQPEUAKKRKRO-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001193157464 1293189061 /nfs/dbraw/zinc/18/90/61/1293189061.db2.gz FCLCTENGAIUNFK-SNVBAGLBSA-N -1 0 349.799 2.620 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OCc2ccccc2)cc1 ZINC001193161202 1293189823 /nfs/dbraw/zinc/18/98/23/1293189823.db2.gz MZVDVKCRMXTEQY-CYBMUJFWSA-N -1 0 344.392 2.697 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)ccnc12 ZINC001193161114 1293190159 /nfs/dbraw/zinc/19/01/59/1293190159.db2.gz LTABQWBNPLQVCJ-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)C(F)(F)F ZINC001193160481 1293190207 /nfs/dbraw/zinc/19/02/07/1293190207.db2.gz DGGYDMFIENPYMI-LURJTMIESA-N -1 0 340.710 2.739 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(Br)cncc2c1 ZINC001193159055 1293190540 /nfs/dbraw/zinc/19/05/40/1293190540.db2.gz ZOCNYZQZIJBHBV-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001193162214 1293191122 /nfs/dbraw/zinc/19/11/22/1293191122.db2.gz WIUQNLRIUJZMSD-LURJTMIESA-N -1 0 337.710 2.884 20 30 EFEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193260393 1293218806 /nfs/dbraw/zinc/21/88/06/1293218806.db2.gz CFEGNRSBYYIMQU-MRVPVSSYSA-N -1 0 335.212 2.786 20 30 EFEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193264834 1293220914 /nfs/dbraw/zinc/22/09/14/1293220914.db2.gz OEOTUJSYZLCXPH-JTQLQIEISA-N -1 0 335.212 2.786 20 30 EFEDRM N#Cc1c(F)cc(Nc2nc[n-]c(=O)c2Br)cc1F ZINC001203674165 1312985914 /nfs/dbraw/zinc/98/59/14/1312985914.db2.gz NZAXYKMZPYELGQ-UHFFFAOYSA-N -1 0 327.088 2.838 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C[C@H]2CCCO2)nc1 ZINC001193280432 1293233347 /nfs/dbraw/zinc/23/33/47/1293233347.db2.gz PXKPBQOEXKOVLQ-CQSZACIVSA-N -1 0 343.408 2.541 20 30 EFEDRM CCc1cc(C(=O)OC)c(NC(=O)c2ccc([O-])c(C#N)c2)s1 ZINC001193497853 1293326043 /nfs/dbraw/zinc/32/60/43/1293326043.db2.gz DAZXQVYHLFGSGE-UHFFFAOYSA-N -1 0 330.365 2.927 20 30 EFEDRM CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193499810 1293327083 /nfs/dbraw/zinc/32/70/83/1293327083.db2.gz WCXWJIONZDPKAT-UHFFFAOYSA-N -1 0 341.323 2.558 20 30 EFEDRM CCOC(=O)CN(Cc1ccsc1)C(=O)c1ccc([O-])c(C#N)c1 ZINC001193505003 1293336049 /nfs/dbraw/zinc/33/60/49/1293336049.db2.gz WXJQJAQRUTXMAK-UHFFFAOYSA-N -1 0 344.392 2.531 20 30 EFEDRM COc1cc(NC(=O)c2ccc([O-])c(C#N)c2)ncc1C(F)(F)F ZINC001193506443 1293336389 /nfs/dbraw/zinc/33/63/89/1293336389.db2.gz MMBDUVOIJGNDJR-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM N#Cc1cc(C(=O)N2Cc3cc(Br)cnc3C2)ccc1[O-] ZINC001193504032 1293336901 /nfs/dbraw/zinc/33/69/01/1293336901.db2.gz LSFPVAFWFJVNLE-UHFFFAOYSA-N -1 0 344.168 2.577 20 30 EFEDRM COC(Cc1ccc(NC(=O)c2ccc([O-])c(C#N)c2)cc1)OC ZINC001193511541 1293339086 /nfs/dbraw/zinc/33/90/86/1293339086.db2.gz BXIZDGZDDKCDDB-UHFFFAOYSA-N -1 0 326.352 2.678 20 30 EFEDRM COC(=O)[C@H]1CCc2cc(NC(=O)c3ccc([O-])c(C#N)c3)ccc21 ZINC001193513027 1293341750 /nfs/dbraw/zinc/34/17/50/1293341750.db2.gz XFOJOVHEHQGAIA-INIZCTEOSA-N -1 0 336.347 2.719 20 30 EFEDRM COc1cccc2c1SC[C@@H](NC(=O)c1ccc([O-])c(C#N)c1)C2 ZINC001193519163 1293342896 /nfs/dbraw/zinc/34/28/96/1293342896.db2.gz SJDSPQULKNCYEQ-AWEZNQCLSA-N -1 0 340.404 2.719 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnn2)ccc1[O-] ZINC001193519176 1293343456 /nfs/dbraw/zinc/34/34/56/1293343456.db2.gz SNQTYHSIRQLION-SFHVURJKSA-N -1 0 330.347 2.573 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3c2CCC3)c1 ZINC001193635501 1293377756 /nfs/dbraw/zinc/37/77/56/1293377756.db2.gz ATXHWPIXBZCHPO-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1ccc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c1 ZINC001193635550 1293378409 /nfs/dbraw/zinc/37/84/09/1293378409.db2.gz AZUAICSPZJWBRM-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1[O-] ZINC001193634191 1293378716 /nfs/dbraw/zinc/37/87/16/1293378716.db2.gz ADXNDYUGOPYUMG-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1 ZINC001193640541 1293379263 /nfs/dbraw/zinc/37/92/63/1293379263.db2.gz KFIFIVZRLMVEAM-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccc(Br)nc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193642998 1293380676 /nfs/dbraw/zinc/38/06/76/1293380676.db2.gz VEAQAVPUCYXXKM-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001193641088 1293383284 /nfs/dbraw/zinc/38/32/84/1293383284.db2.gz QVGKUCQJDYUQNM-UHFFFAOYSA-N -1 0 333.394 2.609 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnccc2C2CC2)c1 ZINC001193644885 1293383384 /nfs/dbraw/zinc/38/33/84/1293383384.db2.gz SSPNPHYFRIRXKP-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM COc1ccc(Br)c(NC(=O)c2cccc(C#N)c2[O-])n1 ZINC001193643174 1293384575 /nfs/dbraw/zinc/38/45/75/1293384575.db2.gz YXKOFKFGYQSRCT-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1ccc2c(c1)CCN(C(=O)c1cc(O)c([O-])c(Cl)c1)C2 ZINC001193606153 1293391122 /nfs/dbraw/zinc/39/11/22/1293391122.db2.gz VDRLAUWHHWJZPB-UHFFFAOYSA-N -1 0 328.755 2.821 20 30 EFEDRM N#Cc1cccc(C(=O)N2Cc3cc(Br)cnc3C2)c1[O-] ZINC001193646814 1293392457 /nfs/dbraw/zinc/39/24/57/1293392457.db2.gz NYNVMXPVDNXXCV-UHFFFAOYSA-N -1 0 344.168 2.577 20 30 EFEDRM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cccc(C#N)c3[O-])C2)cc1 ZINC001193647303 1293392501 /nfs/dbraw/zinc/39/25/01/1293392501.db2.gz ZHKGCDRQLWUFOD-KRWDZBQOSA-N -1 0 347.374 2.819 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC001193655530 1293396991 /nfs/dbraw/zinc/39/69/91/1293396991.db2.gz WGLBMOAGDWQXPQ-UHFFFAOYSA-N -1 0 335.410 2.702 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccsc2C(C)=O)c1 ZINC001193654297 1293397689 /nfs/dbraw/zinc/39/76/89/1293397689.db2.gz XAUJLPYMDJXNLS-UHFFFAOYSA-N -1 0 336.394 2.632 20 30 EFEDRM N#Cc1cccc(C(=O)NCc2cc(-c3ccccc3F)no2)c1[O-] ZINC001193658693 1293398474 /nfs/dbraw/zinc/39/84/74/1293398474.db2.gz DVOVOCWSXFPXMO-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H](C)CON)c1 ZINC001233823371 1312998973 /nfs/dbraw/zinc/99/89/73/1312998973.db2.gz QWOGCMGXCDTORJ-XEHSLEBBSA-N -1 0 343.379 2.955 20 30 EFEDRM C=CCOCC(COCC=C)Oc1cc([O-])cc2occc(=O)c12 ZINC001233828261 1312999899 /nfs/dbraw/zinc/99/98/99/1312999899.db2.gz ZRKIPEKUZBWBES-UHFFFAOYSA-N -1 0 332.352 2.651 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncn(-c2cccc(F)c2)n1 ZINC001193760198 1293438331 /nfs/dbraw/zinc/43/83/31/1293438331.db2.gz JDHVNXQRASUFPO-UHFFFAOYSA-N -1 0 343.268 2.809 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193928598 1293479667 /nfs/dbraw/zinc/47/96/67/1293479667.db2.gz HCSNDRBZTVRBHW-UHFFFAOYSA-N -1 0 341.314 2.960 20 30 EFEDRM C#CC(CC)(CC)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193964035 1293489251 /nfs/dbraw/zinc/48/92/51/1293489251.db2.gz AEQRVUHAXDVHJT-UHFFFAOYSA-N -1 0 347.795 2.648 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194044676 1293511358 /nfs/dbraw/zinc/51/13/58/1293511358.db2.gz LLMFGLBDZFNDMW-UHFFFAOYSA-N -1 0 327.365 2.950 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194089196 1293529027 /nfs/dbraw/zinc/52/90/27/1293529027.db2.gz JVZCQGWJLKKTJI-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194456212 1293629984 /nfs/dbraw/zinc/62/99/84/1293629984.db2.gz MPCLXTYOFOVMOT-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1F ZINC001194569003 1293671905 /nfs/dbraw/zinc/67/19/05/1293671905.db2.gz XFSYUYDTADRUFY-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001194718118 1293704808 /nfs/dbraw/zinc/70/48/08/1293704808.db2.gz FUJQMQQZUWZIKN-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1C#N ZINC001194720892 1293705243 /nfs/dbraw/zinc/70/52/43/1293705243.db2.gz ZGDVQNSJMHKAOM-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccnc2C#N)c(C)c1C ZINC001194844151 1293737450 /nfs/dbraw/zinc/73/74/50/1293737450.db2.gz VOMSPIISHBICTE-UHFFFAOYSA-N -1 0 345.424 2.996 20 30 EFEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000133489851 1293884456 /nfs/dbraw/zinc/88/44/56/1293884456.db2.gz VSIMFZYLZRIXPR-MRXNPFEDSA-N -1 0 348.406 2.833 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000102117863 1294000305 /nfs/dbraw/zinc/00/03/05/1294000305.db2.gz PDOIAYSFUNUZAI-CYBMUJFWSA-N -1 0 347.371 2.622 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2C#N)cn1 ZINC001195724901 1294002285 /nfs/dbraw/zinc/00/22/85/1294002285.db2.gz HXQUNCSLPMYBHF-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3cccc(N)n3)n2)c([O-])c1 ZINC001195733942 1294004121 /nfs/dbraw/zinc/00/41/21/1294004121.db2.gz ZILILMFJAMDDJR-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM COc1ccc(Br)nc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195733128 1294004146 /nfs/dbraw/zinc/00/41/46/1294004146.db2.gz AAKALYTTXPSVBU-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2)c([O-])c1 ZINC001195758351 1294014223 /nfs/dbraw/zinc/01/42/23/1294014223.db2.gz NQIDECJBLOGFFA-UHFFFAOYSA-N -1 0 331.331 2.667 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2[O-])c(C(C)=O)c1 ZINC001195758604 1294014337 /nfs/dbraw/zinc/01/43/37/1294014337.db2.gz PJCXEFQJZSRAPV-UHFFFAOYSA-N -1 0 338.319 2.505 20 30 EFEDRM CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195758262 1294014564 /nfs/dbraw/zinc/01/45/64/1294014564.db2.gz LVMIRIZXBUJCQL-UHFFFAOYSA-N -1 0 337.379 2.902 20 30 EFEDRM COC(=O)C1(c2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2)CC1 ZINC001195757837 1294014864 /nfs/dbraw/zinc/01/48/64/1294014864.db2.gz HCSJNWLXSNZSLQ-UHFFFAOYSA-N -1 0 336.347 2.721 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H]2CCOc3c(F)cc(F)cc32)c([O-])c1 ZINC001195767814 1294019635 /nfs/dbraw/zinc/01/96/35/1294019635.db2.gz AFOFKWXHBCQHST-AWEZNQCLSA-N -1 0 330.290 2.796 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)c([O-])c1 ZINC001195741769 1294025335 /nfs/dbraw/zinc/02/53/35/1294025335.db2.gz YYOAPGCWCUCNCC-UHFFFAOYSA-N -1 0 341.330 2.845 20 30 EFEDRM COc1ccc(Br)c(NC(=O)c2ccc(C#N)cc2[O-])n1 ZINC001195741731 1294025787 /nfs/dbraw/zinc/02/57/87/1294025787.db2.gz XIKSGZRXLMHGBK-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(F)c(F)c(Cl)c2F)c([O-])c1 ZINC001195741161 1294025849 /nfs/dbraw/zinc/02/58/49/1294025849.db2.gz PURBPGUWCCXSIU-UHFFFAOYSA-N -1 0 327.649 2.982 20 30 EFEDRM CC(C)(C)c1cnn2cc(NC(=O)c3ccc(C#N)cc3[O-])cnc12 ZINC001195741425 1294025953 /nfs/dbraw/zinc/02/59/53/1294025953.db2.gz SYXBKNOWUBTWQE-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM N#Cc1ccc(C(=O)N(Cc2cccnc2)Cc2ccccn2)c([O-])c1 ZINC001195742042 1294026778 /nfs/dbraw/zinc/02/67/78/1294026778.db2.gz VDYZMDWDUJAHGC-UHFFFAOYSA-N -1 0 344.374 2.896 20 30 EFEDRM N#CCCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196107337 1294121797 /nfs/dbraw/zinc/12/17/97/1294121797.db2.gz BFYMPTPFYXXOIY-UHFFFAOYSA-N -1 0 344.392 2.634 20 30 EFEDRM C#CCCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196097356 1294132296 /nfs/dbraw/zinc/13/22/96/1294132296.db2.gz RRJLWIJTWBOBJT-UHFFFAOYSA-N -1 0 343.404 2.744 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)n2)cs1 ZINC001196289026 1294194692 /nfs/dbraw/zinc/19/46/92/1294194692.db2.gz XEBHHVUPCHFRPM-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc2ccccc2cc1C ZINC001234105762 1313058264 /nfs/dbraw/zinc/05/82/64/1313058264.db2.gz LEANUEZLRMVWGB-INIZCTEOSA-N -1 0 336.409 2.986 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c(C#N)n1 ZINC001196416189 1294240456 /nfs/dbraw/zinc/24/04/56/1294240456.db2.gz FLIBESVUIKTIAU-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1nc(Cl)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196643824 1294302256 /nfs/dbraw/zinc/30/22/56/1294302256.db2.gz YOGAFLFUPCZNPE-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)no1 ZINC001196643790 1294302279 /nfs/dbraw/zinc/30/22/79/1294302279.db2.gz VYDRLVNHCXLQMK-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(F)c(F)cc1F ZINC001196647551 1294318241 /nfs/dbraw/zinc/31/82/41/1294318241.db2.gz HNTJPEZUSYXJHI-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cn1ccc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)cnc21 ZINC001196648582 1294318413 /nfs/dbraw/zinc/31/84/13/1294318413.db2.gz YNIYEAXDBJEXSG-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CC(C)c1nccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196651997 1294321224 /nfs/dbraw/zinc/32/12/24/1294321224.db2.gz OBQCYECDFKOMFK-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cnc2Cl)n1 ZINC000885107743 1294327436 /nfs/dbraw/zinc/32/74/36/1294327436.db2.gz BDEFLWQTYRNQAG-LLVKDONJSA-N -1 0 349.799 2.842 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c1 ZINC001196723227 1294343012 /nfs/dbraw/zinc/34/30/12/1294343012.db2.gz WOIJPDLJUIAEAJ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c1 ZINC001196730493 1294352868 /nfs/dbraw/zinc/35/28/68/1294352868.db2.gz FZVWKUWINMCGHM-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc3c(n2)CC[C@H](C)C3)ccc1C#N ZINC000903689791 1313072694 /nfs/dbraw/zinc/07/26/94/1313072694.db2.gz QAJJTELEIVRVHQ-NSHDSACASA-N -1 0 342.424 2.582 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC001197040370 1294437898 /nfs/dbraw/zinc/43/78/98/1294437898.db2.gz IEIVVYOOUGKMQE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C(=O)OC ZINC001197035802 1294446596 /nfs/dbraw/zinc/44/65/96/1294446596.db2.gz BJJAKRPOEUKJKU-UHFFFAOYSA-N -1 0 329.377 2.564 20 30 EFEDRM C=CC[C@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)c1ccccc1 ZINC001234189936 1313077518 /nfs/dbraw/zinc/07/75/18/1313077518.db2.gz PTTXAGBXWATHGK-LBPRGKRZSA-N -1 0 330.340 2.679 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796371748 1294576743 /nfs/dbraw/zinc/57/67/43/1294576743.db2.gz TVPRFLNOPKRNRZ-NXEZZACHSA-N -1 0 328.340 2.606 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(C#N)c1 ZINC001197601303 1294635101 /nfs/dbraw/zinc/63/51/01/1294635101.db2.gz XRAQNJAGPAFXHX-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC001197645839 1294640912 /nfs/dbraw/zinc/64/09/12/1294640912.db2.gz CINKIWINSFNCGS-UHFFFAOYSA-N -1 0 329.740 2.589 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136880617 1294691084 /nfs/dbraw/zinc/69/10/84/1294691084.db2.gz PFBSPGXOFVCDRG-LBPRGKRZSA-N -1 0 340.408 2.586 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197821267 1294750539 /nfs/dbraw/zinc/75/05/39/1294750539.db2.gz HQINVECSQWBBKK-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197829814 1294757628 /nfs/dbraw/zinc/75/76/28/1294757628.db2.gz NTVVVDROTOUWNI-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153252 1294914934 /nfs/dbraw/zinc/91/49/34/1294914934.db2.gz LWTLGRWBHFUWCW-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1F ZINC001198154928 1294915882 /nfs/dbraw/zinc/91/58/82/1294915882.db2.gz FELDXEUEBOPOAN-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233642 1294945596 /nfs/dbraw/zinc/94/55/96/1294945596.db2.gz ORDOIGCZCLXZRW-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198235177 1294947291 /nfs/dbraw/zinc/94/72/91/1294947291.db2.gz UFVXRQNPCTYDJY-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000121514496 1295040571 /nfs/dbraw/zinc/04/05/71/1295040571.db2.gz MJGCCUQPXCEPFO-LBPRGKRZSA-N -1 0 327.344 2.661 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1scc(C)c1C#N ZINC001198652456 1295169435 /nfs/dbraw/zinc/16/94/35/1295169435.db2.gz WISOCFMMFUGVGI-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM N#Cc1cc(NC(=O)c2cncn2-c2ccc(F)cc2)c([O-])cc1F ZINC001198715871 1295226882 /nfs/dbraw/zinc/22/68/82/1295226882.db2.gz LNFQTUQDWJISHD-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@]34C[C@H]3CCC4)cc2[n-]c1=S ZINC000887042643 1295257143 /nfs/dbraw/zinc/25/71/43/1295257143.db2.gz YFBQUUOUUUZVBW-KZULUSFZSA-N -1 0 341.436 2.544 20 30 EFEDRM CCOC(=O)[C@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511422 1313142233 /nfs/dbraw/zinc/14/22/33/1313142233.db2.gz PPMKRLIBUZBPBS-ZDUSSCGKSA-N -1 0 329.356 2.564 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)c(C)c1 ZINC001198950605 1295383653 /nfs/dbraw/zinc/38/36/53/1295383653.db2.gz IAXVGPKWMYEAEH-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CON(C)C(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000775989760 1295596359 /nfs/dbraw/zinc/59/63/59/1295596359.db2.gz ZXYCLXAGZVNXKL-UHFFFAOYSA-N -1 0 335.414 2.727 20 30 EFEDRM COc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c(OC)c1 ZINC001204655940 1313178013 /nfs/dbraw/zinc/17/80/13/1313178013.db2.gz AVSMAALQJBWKCM-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM C#C[C@@H](C)Oc1cc([O-])cc2oc(-c3c(O)cccc3O)cc(=O)c12 ZINC001234725943 1313186312 /nfs/dbraw/zinc/18/63/12/1313186312.db2.gz RIWSTVGUWZZZCG-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777292913 1295990310 /nfs/dbraw/zinc/99/03/10/1295990310.db2.gz OAPOEKBSIGVPSB-KRWDZBQOSA-N -1 0 343.427 2.920 20 30 EFEDRM CCOC(=O)N1CCC([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000777401024 1296005778 /nfs/dbraw/zinc/00/57/78/1296005778.db2.gz JJEGXFLEGMPGFG-SJWFJVLYSA-N -1 0 349.387 2.976 20 30 EFEDRM C=CCN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235066129 1313234788 /nfs/dbraw/zinc/23/47/88/1313234788.db2.gz WFAMLLSPQZYLGU-UHFFFAOYSA-N -1 0 329.213 2.597 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000776096808 1296285024 /nfs/dbraw/zinc/28/50/24/1296285024.db2.gz DYPXXUIFNBCMLZ-OLZOCXBDSA-N -1 0 327.771 2.695 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1CCC(c2ccccc2)CC1 ZINC000776135547 1296556658 /nfs/dbraw/zinc/55/66/58/1296556658.db2.gz FLSFFVUEYHZVTP-UHFFFAOYSA-N -1 0 348.468 2.956 20 30 EFEDRM C/C(=C/c1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776139262 1296629938 /nfs/dbraw/zinc/62/99/38/1296629938.db2.gz WMZUQGOVPJEJRD-FLIBITNWSA-N -1 0 340.832 2.739 20 30 EFEDRM Cc1cc(CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C)s1 ZINC000776140985 1296648033 /nfs/dbraw/zinc/64/80/33/1296648033.db2.gz SYRGAERJJNPLFK-UHFFFAOYSA-N -1 0 342.486 2.683 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000776145542 1296652110 /nfs/dbraw/zinc/65/21/10/1296652110.db2.gz CHUPDDALLUKTCK-XFFZJAGNSA-N -1 0 340.832 2.739 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C)cc1C#N ZINC001201292717 1296685490 /nfs/dbraw/zinc/68/54/90/1296685490.db2.gz JAXPTBZHXNBNGV-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c3nccn3c2)cc1C#N ZINC001201295753 1296711197 /nfs/dbraw/zinc/71/11/97/1296711197.db2.gz YSGKXRMEQFVITP-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3nn(C)cc32)cc1C#N ZINC001201316603 1296723482 /nfs/dbraw/zinc/72/34/82/1296723482.db2.gz CAWMVGDDIJJEBZ-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317614 1296723573 /nfs/dbraw/zinc/72/35/73/1296723573.db2.gz XIBROTZSOAHWSH-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1ccccc1NN=C(C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776190162 1296858897 /nfs/dbraw/zinc/85/88/97/1296858897.db2.gz YWJNQILDIVNFMG-UHFFFAOYSA-N -1 0 329.312 2.923 20 30 EFEDRM Cc1ccccc1[C@H](CC(=O)[O-])c1nc(-c2ccc(C#N)cn2)no1 ZINC001205581027 1313317044 /nfs/dbraw/zinc/31/70/44/1313317044.db2.gz KFZXWIJSLBCUKT-AWEZNQCLSA-N -1 0 334.335 2.918 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000929044818 1297154482 /nfs/dbraw/zinc/15/44/82/1297154482.db2.gz NNZUXZVTQBPUKK-CYBMUJFWSA-N -1 0 336.363 2.710 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1ccc(F)cc1 ZINC000042290638 1297695976 /nfs/dbraw/zinc/69/59/76/1297695976.db2.gz YDZWVUKMMHUJDB-UHFFFAOYSA-N -1 0 326.349 2.709 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000042303949 1297698304 /nfs/dbraw/zinc/69/83/04/1297698304.db2.gz YJJSWLXPESKWLV-UHFFFAOYSA-N -1 0 339.376 2.927 20 30 EFEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000042304153 1297699147 /nfs/dbraw/zinc/69/91/47/1297699147.db2.gz BIWDQCIPVDAMPJ-UHFFFAOYSA-N -1 0 344.392 2.845 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1csc(C(=O)[O-])c1 ZINC001206265729 1313428063 /nfs/dbraw/zinc/42/80/63/1313428063.db2.gz OXKWNJOYOSVBHT-JTQLQIEISA-N -1 0 345.380 2.852 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160045274 1297778536 /nfs/dbraw/zinc/77/85/36/1297778536.db2.gz KJJJRJMWOWNUIF-UHFFFAOYSA-N -1 0 326.393 2.863 20 30 EFEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000107023055 1297783040 /nfs/dbraw/zinc/78/30/40/1297783040.db2.gz DQTKOKQIOYGMSS-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)s1 ZINC000075040364 1297809901 /nfs/dbraw/zinc/80/99/01/1297809901.db2.gz KAJZNDAWPZVLAX-UHFFFAOYSA-N -1 0 328.390 2.901 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1OCC(C)C ZINC000193353832 1298431387 /nfs/dbraw/zinc/43/13/87/1298431387.db2.gz MNNYRCBPZZJNEE-OAHLLOKOSA-N -1 0 344.411 2.675 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000108250079 1298493388 /nfs/dbraw/zinc/49/33/88/1298493388.db2.gz YPONIDSSLACANA-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779843717 1298951596 /nfs/dbraw/zinc/95/15/96/1298951596.db2.gz CPMYCBBLJGYNMG-ZDUSSCGKSA-N -1 0 346.408 2.925 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000779847869 1298966681 /nfs/dbraw/zinc/96/66/81/1298966681.db2.gz GXJDPDKTCQMMRC-CYBMUJFWSA-N -1 0 346.408 2.925 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000086054379 1299254779 /nfs/dbraw/zinc/25/47/79/1299254779.db2.gz XTQGJJYITXTGSV-UHFFFAOYSA-N -1 0 336.413 2.612 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCCC2)oc2c1C(=O)CCC2 ZINC000086054552 1299255518 /nfs/dbraw/zinc/25/55/18/1299255518.db2.gz FBPSNZCXAYSDHN-UHFFFAOYSA-N -1 0 325.386 2.684 20 30 EFEDRM CCOc1ncc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1Cl ZINC000086056621 1299256223 /nfs/dbraw/zinc/25/62/23/1299256223.db2.gz WKGXWFOCXJNTTL-UHFFFAOYSA-N -1 0 332.809 2.711 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccn(-c2ccccc2F)n1 ZINC000086055797 1299257289 /nfs/dbraw/zinc/25/72/89/1299257289.db2.gz UYQUCBKFEYRYJK-UHFFFAOYSA-N -1 0 337.376 2.588 20 30 EFEDRM O=S(=O)([N-]c1ccc(F)c(OC(F)(F)F)c1)C(F)(F)F ZINC001252355755 1299315081 /nfs/dbraw/zinc/31/50/81/1299315081.db2.gz XBYLQQGBMDVTCO-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776514991 1299328407 /nfs/dbraw/zinc/32/84/07/1299328407.db2.gz GYYQYSNVAWEQMQ-LBPRGKRZSA-N -1 0 343.770 2.940 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776516908 1299335590 /nfs/dbraw/zinc/33/55/90/1299335590.db2.gz OHGLJVPMNZYOAP-NSHDSACASA-N -1 0 329.743 2.596 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C1CCCCC1 ZINC000776518057 1299339448 /nfs/dbraw/zinc/33/94/48/1299339448.db2.gz USHFAWSKKQYATN-OAHLLOKOSA-N -1 0 328.416 2.642 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776519107 1299341735 /nfs/dbraw/zinc/34/17/35/1299341735.db2.gz YMXUACDYZDBTCL-LLVKDONJSA-N -1 0 331.759 2.842 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000109959460 1299351575 /nfs/dbraw/zinc/35/15/75/1299351575.db2.gz DJNWSEMHJNLHJM-UHFFFAOYSA-N -1 0 349.390 2.760 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)/C=C/c1ccccc1Cl)C(=O)[O-] ZINC000776596912 1299714488 /nfs/dbraw/zinc/71/44/88/1299714488.db2.gz KBVHHBIISACWFM-LXKVQUBZSA-N -1 0 329.805 2.650 20 30 EFEDRM C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756380 1299868751 /nfs/dbraw/zinc/86/87/51/1299868751.db2.gz GPAVCKDYYICGCF-SKDRFNHKSA-N -1 0 331.363 2.509 20 30 EFEDRM C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757692 1299869257 /nfs/dbraw/zinc/86/92/57/1299869257.db2.gz HMFHMRHDFLCPHX-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852758092 1299869951 /nfs/dbraw/zinc/86/99/51/1299869951.db2.gz YBAMIZOECKRANN-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM CCOC(=O)N1CCC(C)(CN=Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000853369991 1300098821 /nfs/dbraw/zinc/09/88/21/1300098821.db2.gz CDQBVRSIQRLRSC-UHFFFAOYSA-N -1 0 347.415 2.970 20 30 EFEDRM CCOC(=O)C1(C#N)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623115 1313678755 /nfs/dbraw/zinc/67/87/55/1313678755.db2.gz HZKUDBFZLHURNN-UHFFFAOYSA-N -1 0 340.782 2.854 20 30 EFEDRM C[C@@H]1CCN(c2ccc(F)cc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989321 1300379058 /nfs/dbraw/zinc/37/90/58/1300379058.db2.gz KZCVFSSZEVHDCG-SKDRFNHKSA-N -1 0 329.297 2.591 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]Oc1ccccc1 ZINC000854535534 1300614639 /nfs/dbraw/zinc/61/46/39/1300614639.db2.gz ARQQJRJZXWJYBE-CQSZACIVSA-N -1 0 333.388 2.684 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)cc1 ZINC000088800153 1300630136 /nfs/dbraw/zinc/63/01/36/1300630136.db2.gz UYVKYZGTOJBNDZ-UHFFFAOYSA-N -1 0 336.319 2.724 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(COC)ccc2OC)c1 ZINC000795287153 1300644802 /nfs/dbraw/zinc/64/48/02/1300644802.db2.gz HHQWYDRDPALWTK-UHFFFAOYSA-N -1 0 331.393 2.624 20 30 EFEDRM COC(=O)c1ccc(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)nc1 ZINC000776777309 1300778781 /nfs/dbraw/zinc/77/87/81/1300778781.db2.gz YGLCEUJYNREBJD-UHFFFAOYSA-N -1 0 331.303 2.542 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1coc2ccccc12 ZINC000113651816 1301106913 /nfs/dbraw/zinc/10/69/13/1301106913.db2.gz GGOCZUQGSPOJIC-CQSZACIVSA-N -1 0 328.368 2.687 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000856030555 1301210273 /nfs/dbraw/zinc/21/02/73/1301210273.db2.gz IMEGEAINOCUREK-HNNXBMFYSA-N -1 0 338.816 2.893 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000856030951 1301210775 /nfs/dbraw/zinc/21/07/75/1301210775.db2.gz YEGOTGIDOXEECS-NSHDSACASA-N -1 0 343.210 2.970 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000860473640 1301820471 /nfs/dbraw/zinc/82/04/71/1301820471.db2.gz OSFVWBIAHCRSGT-VIFPVBQESA-N -1 0 346.692 2.840 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cocc1C ZINC000860482995 1301823276 /nfs/dbraw/zinc/82/32/76/1301823276.db2.gz NYCLPBXIARMXHF-GFCCVEGCSA-N -1 0 342.351 2.915 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CC[C@H]3C)cc2[n-]c1=S ZINC000119315143 1302545603 /nfs/dbraw/zinc/54/56/03/1302545603.db2.gz WBZKSZCLXCVVTQ-VXGBXAGGSA-N -1 0 343.452 2.884 20 30 EFEDRM O=C([O-])Cc1ccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)cc1 ZINC000863180755 1302549753 /nfs/dbraw/zinc/54/97/53/1302549753.db2.gz RHIWOTSXFUEMOW-ZROIWOOFSA-N -1 0 330.409 2.816 20 30 EFEDRM CCCCCCCS(=O)(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000863428896 1302611183 /nfs/dbraw/zinc/61/11/83/1302611183.db2.gz HISLBXZBTCRJJA-UHFFFAOYSA-N -1 0 327.446 2.704 20 30 EFEDRM C[C@H](SCc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119483031 1302632317 /nfs/dbraw/zinc/63/23/17/1302632317.db2.gz UGSQPAKEAVOJRF-JSGCOSHPSA-N -1 0 327.409 2.634 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794596875 1302831162 /nfs/dbraw/zinc/83/11/62/1302831162.db2.gz QHVBTJLJVZUAGN-CYBMUJFWSA-N -1 0 341.392 2.844 20 30 EFEDRM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2C1 ZINC000797817627 1302920159 /nfs/dbraw/zinc/92/01/59/1302920159.db2.gz DTAFNMWQUJKECE-CYBMUJFWSA-N -1 0 334.422 2.534 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(OCC)c(C(C)C)c1)C(=O)[O-] ZINC000864428284 1302932326 /nfs/dbraw/zinc/93/23/26/1302932326.db2.gz DLAUGNZRYHJXHE-CQSZACIVSA-N -1 0 341.429 2.516 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000120097473 1302965839 /nfs/dbraw/zinc/96/58/39/1302965839.db2.gz LLASZCIMTSGMOR-JTQLQIEISA-N -1 0 327.296 2.844 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OCCC)c(C)c1)C(=O)[O-] ZINC000864583777 1302988182 /nfs/dbraw/zinc/98/81/82/1302988182.db2.gz YSROVJRCVCVXST-AWEZNQCLSA-N -1 0 336.388 2.561 20 30 EFEDRM CN(C)Cc1cnc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000794701613 1302989985 /nfs/dbraw/zinc/98/99/85/1302989985.db2.gz LVAHKGMAVIGXOT-WAYWQWQTSA-N -1 0 333.369 2.715 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125597 1303027999 /nfs/dbraw/zinc/02/79/99/1303027999.db2.gz BIKZPZKTRVGWDX-UHFFFAOYSA-N -1 0 337.422 2.961 20 30 EFEDRM O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125705 1303028084 /nfs/dbraw/zinc/02/80/84/1303028084.db2.gz HMVQQQFLWAUGKS-UHFFFAOYSA-N -1 0 346.408 2.685 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccnc(F)c2)ccc1OCCC(=O)[O-] ZINC000794717608 1303039184 /nfs/dbraw/zinc/03/91/84/1303039184.db2.gz AADUWYZMVXJWRO-DUXPYHPUSA-N -1 0 345.326 2.979 20 30 EFEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000794734068 1303041681 /nfs/dbraw/zinc/04/16/81/1303041681.db2.gz XGWVSLHFPWAEGA-RQOWECAXSA-N -1 0 329.333 2.673 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864904991 1303074771 /nfs/dbraw/zinc/07/47/71/1303074771.db2.gz TUGHTSNRHKWFOZ-QMMMGPOBSA-N -1 0 329.169 2.916 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)cc1C(C)(C)C ZINC000865225567 1303194800 /nfs/dbraw/zinc/19/48/00/1303194800.db2.gz GFAFOPBSIFPFJQ-FNORWQNLSA-N -1 0 343.383 2.565 20 30 EFEDRM O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1ccc(Cl)cc1[O-] ZINC000865226294 1303195438 /nfs/dbraw/zinc/19/54/38/1303195438.db2.gz RYBMZWDSPSZSIO-RYWCDNDXSA-N -1 0 333.775 2.712 20 30 EFEDRM C=CCOC[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000794847961 1303293856 /nfs/dbraw/zinc/29/38/56/1303293856.db2.gz KZEJZNXRERMSDX-MSBCHBQFSA-N -1 0 332.183 2.862 20 30 EFEDRM Cc1nn(-c2ccccc2)c(N)c1C=[NH+][N-]c1cccc(C(=O)[O-])c1 ZINC000794854711 1303343425 /nfs/dbraw/zinc/34/34/25/1303343425.db2.gz KYBZRNRWEWWLNC-UHFFFAOYSA-N -1 0 335.367 2.907 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccn2)n1 ZINC000120720974 1303392559 /nfs/dbraw/zinc/39/25/59/1303392559.db2.gz IZWBMECUNRCONP-NSHDSACASA-N -1 0 349.375 2.561 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000748410613 1313912007 /nfs/dbraw/zinc/91/20/07/1313912007.db2.gz MVEXGGXIJXPQOG-UHFFFAOYSA-N -1 0 336.307 2.765 20 30 EFEDRM CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1cccs1 ZINC000748411673 1313912574 /nfs/dbraw/zinc/91/25/74/1313912574.db2.gz WQTQTFYFFPMYIZ-CYBMUJFWSA-N -1 0 329.381 2.531 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000748411821 1313912628 /nfs/dbraw/zinc/91/26/28/1313912628.db2.gz ZKTTYIRKQZICDK-QGZVFWFLSA-N -1 0 349.362 2.551 20 30 EFEDRM CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1cccs1 ZINC000748411675 1313912828 /nfs/dbraw/zinc/91/28/28/1313912828.db2.gz WQTQTFYFFPMYIZ-ZDUSSCGKSA-N -1 0 329.381 2.531 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C(=O)[O-])cc1F ZINC001239250732 1313919184 /nfs/dbraw/zinc/91/91/84/1313919184.db2.gz RFWIWKFZNISEAK-UFWORHAWSA-N -1 0 334.303 2.685 20 30 EFEDRM c1nc2nc[n-]c(NN=C3c4ccccc4CC34CCOCC4)c-2n1 ZINC000794902606 1303546208 /nfs/dbraw/zinc/54/62/08/1303546208.db2.gz ZHFLWYNDMDNBRV-UHFFFAOYSA-N -1 0 334.383 2.522 20 30 EFEDRM COc1cc(/C=C2\Cc3cc(O)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000780188148 1313932120 /nfs/dbraw/zinc/93/21/20/1313932120.db2.gz LLHYBVATQVOVKF-AWNIVKPZSA-N -1 0 340.331 2.687 20 30 EFEDRM O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121142357 1303708284 /nfs/dbraw/zinc/70/82/84/1303708284.db2.gz XQBOOAVFLRWNIV-UHFFFAOYSA-N -1 0 338.344 2.835 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000794941659 1303741835 /nfs/dbraw/zinc/74/18/35/1303741835.db2.gz UDCOQOTXYAHFFV-QHHAFSJGSA-N -1 0 325.320 2.628 20 30 EFEDRM CC(=NNCc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794952404 1303786392 /nfs/dbraw/zinc/78/63/92/1303786392.db2.gz POEVDUOMOCTXIM-UHFFFAOYSA-N -1 0 328.372 2.880 20 30 EFEDRM CC(=NNCc1ccccc1N(C)C)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794956372 1303816341 /nfs/dbraw/zinc/81/63/41/1303816341.db2.gz QRTWNHSDURCLMY-UHFFFAOYSA-N -1 0 328.372 2.880 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1sccc1OC ZINC000121703113 1303869280 /nfs/dbraw/zinc/86/92/80/1303869280.db2.gz BOBNVJNNGGRUJN-UHFFFAOYSA-N -1 0 341.385 2.709 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000121703613 1303870301 /nfs/dbraw/zinc/87/03/01/1303870301.db2.gz HRXMPWVMFBKWQB-UHFFFAOYSA-N -1 0 341.385 2.709 20 30 EFEDRM CCc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000121734294 1303891581 /nfs/dbraw/zinc/89/15/81/1303891581.db2.gz MXUZXVFZPPJINM-UHFFFAOYSA-N -1 0 329.425 2.987 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121832731 1303957343 /nfs/dbraw/zinc/95/73/43/1303957343.db2.gz XPEPFNLWANEQED-ZDUSSCGKSA-N -1 0 340.301 2.966 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000121998635 1304099412 /nfs/dbraw/zinc/09/94/12/1304099412.db2.gz BCHPZXBYLFJZLE-HNNXBMFYSA-N -1 0 338.411 2.843 20 30 EFEDRM C=CCNN=Cc1ccc(Cl)c(I)c1[O-] ZINC000794999927 1304171333 /nfs/dbraw/zinc/17/13/33/1304171333.db2.gz TUPUVNKUFGEPAS-UHFFFAOYSA-N -1 0 336.560 2.760 20 30 EFEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)o1 ZINC000796745848 1304524733 /nfs/dbraw/zinc/52/47/33/1304524733.db2.gz NANOYJCXNPUFFW-GFCCVEGCSA-N -1 0 341.367 2.905 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)s1 ZINC000122344590 1304530790 /nfs/dbraw/zinc/53/07/90/1304530790.db2.gz LJLQYOKCTRABDT-UHFFFAOYSA-N -1 0 326.374 2.899 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000868961254 1304550602 /nfs/dbraw/zinc/55/06/02/1304550602.db2.gz XFIFFYPYOZYLHA-IONNQARKSA-N -1 0 327.153 2.716 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000122398429 1304580464 /nfs/dbraw/zinc/58/04/64/1304580464.db2.gz ZYCLEKHMFAJVDO-UHFFFAOYSA-N -1 0 345.355 2.709 20 30 EFEDRM C[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2C1 ZINC000122554913 1304741475 /nfs/dbraw/zinc/74/14/75/1304741475.db2.gz QUPDSCHLIGVCKB-ZYHUDNBSSA-N -1 0 327.409 2.812 20 30 EFEDRM CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122632605 1304823664 /nfs/dbraw/zinc/82/36/64/1304823664.db2.gz BNRGDHHKFQJYLZ-DOMZBBRYSA-N -1 0 325.368 2.803 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(C)c1OC(F)F ZINC000122648950 1304853780 /nfs/dbraw/zinc/85/37/80/1304853780.db2.gz LTFUOKMNKLOOKR-GFCCVEGCSA-N -1 0 347.321 2.844 20 30 EFEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122655208 1304855964 /nfs/dbraw/zinc/85/59/64/1304855964.db2.gz SWHGELRTYPIBII-MRXNPFEDSA-N -1 0 338.411 2.862 20 30 EFEDRM COc1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c(OC)nn1 ZINC001240325803 1314020595 /nfs/dbraw/zinc/02/05/95/1314020595.db2.gz GQKKYYWZKQENIH-CNHKJKLMSA-N -1 0 327.262 2.988 20 30 EFEDRM C[C@@H](CCc1ccccc1F)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122746950 1304947032 /nfs/dbraw/zinc/94/70/32/1304947032.db2.gz BOCRSWPPGLIFLF-JSGCOSHPSA-N -1 0 327.359 2.720 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122848433 1305052376 /nfs/dbraw/zinc/05/23/76/1305052376.db2.gz IUTXUSLEYJVPFL-AWEZNQCLSA-N -1 0 348.362 2.518 20 30 EFEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122868037 1305062015 /nfs/dbraw/zinc/06/20/15/1305062015.db2.gz GYNNFSIWFBUCKF-NWDGAFQWSA-N -1 0 345.786 2.741 20 30 EFEDRM O=C(C1CCCC1)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000122909782 1305099332 /nfs/dbraw/zinc/09/93/32/1305099332.db2.gz IPSWUYMHJHSTQU-YFEUJDIGSA-N -1 0 331.372 2.510 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C2CC2)n1 ZINC000870138752 1305164024 /nfs/dbraw/zinc/16/40/24/1305164024.db2.gz OBVCRGBYVQMESC-AWEZNQCLSA-N -1 0 328.416 2.552 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(F)cc2C)n1 ZINC000870175382 1305190140 /nfs/dbraw/zinc/19/01/40/1305190140.db2.gz RYVSGMCKMFAYFI-VIFPVBQESA-N -1 0 333.344 2.652 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(F)cc2C)n1 ZINC000870175381 1305190191 /nfs/dbraw/zinc/19/01/91/1305190191.db2.gz RYVSGMCKMFAYFI-SECBINFHSA-N -1 0 333.344 2.652 20 30 EFEDRM C/C(=C\C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000870383596 1305295436 /nfs/dbraw/zinc/29/54/36/1305295436.db2.gz AWGSZXPVABNZPM-NTUHNPAUSA-N -1 0 347.440 2.531 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC000123164327 1305375048 /nfs/dbraw/zinc/37/50/48/1305375048.db2.gz YXARUMBFXOZGRB-LBPRGKRZSA-N -1 0 327.409 2.956 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000123181148 1305382817 /nfs/dbraw/zinc/38/28/17/1305382817.db2.gz RHNVOPZFSDTWOY-ZBUUCQELSA-N -1 0 325.412 2.918 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC000123283701 1305547767 /nfs/dbraw/zinc/54/77/67/1305547767.db2.gz JPDFBJGVUOQIBZ-NSHDSACASA-N -1 0 335.285 2.573 20 30 EFEDRM Cc1cccc(CSCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000123285525 1305549177 /nfs/dbraw/zinc/54/91/77/1305549177.db2.gz YPNUPADKHQNQLN-AWEZNQCLSA-N -1 0 327.409 2.554 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1-c1cc(C#N)cc(OC)c1OC(C)=O ZINC001240735432 1314064446 /nfs/dbraw/zinc/06/44/46/1314064446.db2.gz YSZVYCFELIBESC-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM CSc1ccc(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123374173 1305656812 /nfs/dbraw/zinc/65/68/12/1305656812.db2.gz ONUDIRAKAGQGSX-FZMZJTMJSA-N -1 0 343.408 2.501 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241181639 1314100747 /nfs/dbraw/zinc/10/07/47/1314100747.db2.gz ADBACNCIORBYTH-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241185241 1314101193 /nfs/dbraw/zinc/10/11/93/1314101193.db2.gz SFOQWQRDUDPMOM-UFWORHAWSA-N -1 0 334.303 2.685 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241246735 1314104539 /nfs/dbraw/zinc/10/45/39/1314104539.db2.gz DTGOJRKOVWRPDU-UHFFFAOYSA-N -1 0 338.356 2.976 20 30 EFEDRM COc1ccc(Nc2ccc(C#N)cc2OC)c(S(=O)(=O)[O-])c1 ZINC001209433954 1314162934 /nfs/dbraw/zinc/16/29/34/1314162934.db2.gz REAHDUIUKIBLPL-UHFFFAOYSA-N -1 0 334.353 2.566 20 30 EFEDRM N#Cc1csc(CNS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259045592 1316201668 /nfs/dbraw/zinc/20/16/68/1316201668.db2.gz RFAQPFMVQBCUEJ-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM O=C(/C=C/[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F)C(F)(F)F ZINC001260204714 1316323765 /nfs/dbraw/zinc/32/37/65/1316323765.db2.gz IHNGLUWLDQRRQV-OWOJBTEDSA-N -1 0 349.664 2.542 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(F)cc1[O-] ZINC001242217863 1314193462 /nfs/dbraw/zinc/19/34/62/1314193462.db2.gz MHJOPHHEHUQTNN-GFCCVEGCSA-N -1 0 337.310 2.922 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1cccc(CC(=O)[O-])c1 ZINC001242262371 1314194977 /nfs/dbraw/zinc/19/49/77/1314194977.db2.gz PUCIZCPFXVVUAT-UHFFFAOYSA-N -1 0 346.346 2.776 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2cccc(F)c2[O-])nc1 ZINC001242349282 1314200512 /nfs/dbraw/zinc/20/05/12/1314200512.db2.gz NACSLKYZYJMEOC-SILNSSARSA-N -1 0 328.372 2.979 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(F)(F)C2)n1 ZINC000800279178 1307647972 /nfs/dbraw/zinc/64/79/72/1307647972.db2.gz FFJWJMKIGHIMLG-QWRGUYRKSA-N -1 0 342.367 2.997 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCC(F)(F)C2)n1 ZINC000800279179 1307647978 /nfs/dbraw/zinc/64/79/78/1307647978.db2.gz FFJWJMKIGHIMLG-WDEREUQCSA-N -1 0 342.367 2.997 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1cccc(F)c1[O-] ZINC001242349966 1314200752 /nfs/dbraw/zinc/20/07/52/1314200752.db2.gz ANXYWZSGZMQVCL-LLVKDONJSA-N -1 0 337.310 2.922 20 30 EFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)c1 ZINC000800443171 1307847070 /nfs/dbraw/zinc/84/70/70/1307847070.db2.gz NMIJFDWILMGZDR-UHFFFAOYSA-N -1 0 342.420 2.629 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000900332633 1307993318 /nfs/dbraw/zinc/99/33/18/1307993318.db2.gz CYJJTEKBRKTAEN-UHFFFAOYSA-N -1 0 349.456 2.653 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc(-c2ccnn2C)ccc1C)C(=O)[O-] ZINC000900343081 1308015907 /nfs/dbraw/zinc/01/59/07/1308015907.db2.gz CTKHGMSEUUDLTN-CQSZACIVSA-N -1 0 342.399 2.936 20 30 EFEDRM Cc1[nH]c(C=NN2C(=S)N=NC2c2cccs2)cc1C(=O)[O-] ZINC000800806760 1308453653 /nfs/dbraw/zinc/45/36/53/1308453653.db2.gz GXAFYQRCPIZSQY-UHFFFAOYSA-N -1 0 333.398 2.512 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000800808063 1308460316 /nfs/dbraw/zinc/46/03/16/1308460316.db2.gz FDZANJLKWLIOOP-GPCCPHFNSA-N -1 0 336.461 2.644 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000749037142 1314249296 /nfs/dbraw/zinc/24/92/96/1314249296.db2.gz SQEGXJZYNJBQBH-SNVBAGLBSA-N -1 0 343.832 2.825 20 30 EFEDRM Cc1nc(C#N)c([N-]N=C2C(=O)Nc3cccc(C(F)(F)F)c32)o1 ZINC000800811221 1308465238 /nfs/dbraw/zinc/46/52/38/1308465238.db2.gz MCPQRMLWWAOWNZ-UHFFFAOYSA-N -1 0 335.245 2.642 20 30 EFEDRM O=C1Nc2cccc(C(F)(F)F)c2C1=N[N-]c1ncncc1Cl ZINC000800816467 1308479064 /nfs/dbraw/zinc/47/90/64/1308479064.db2.gz LJRVMSWKYNHSNF-UHFFFAOYSA-N -1 0 341.680 2.917 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000800818681 1308482225 /nfs/dbraw/zinc/48/22/25/1308482225.db2.gz KEYRJZUUMJJPKZ-UHFFFAOYSA-N -1 0 333.275 2.672 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000800836412 1308516567 /nfs/dbraw/zinc/51/65/67/1308516567.db2.gz UDYDDYANCCLUBD-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209899269 1314256708 /nfs/dbraw/zinc/25/67/08/1314256708.db2.gz OTPAPZDVQOKWMT-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000800840158 1308527959 /nfs/dbraw/zinc/52/79/59/1308527959.db2.gz WVSOGGQKIIAZKS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cc(Nc2ccccc2CN2CCOCC2)c([O-])cc1F ZINC001209932504 1314260653 /nfs/dbraw/zinc/26/06/53/1314260653.db2.gz OPDQIMMKBFDHGH-UHFFFAOYSA-N -1 0 327.359 2.979 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc(C)cc(C(=O)[O-])c1 ZINC001243177326 1314267787 /nfs/dbraw/zinc/26/77/87/1314267787.db2.gz HRAAZCZSIHGZGI-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM COC(=O)c1cc(Br)c([O-])c(Nc2cccnc2C#N)c1 ZINC001210147537 1314288044 /nfs/dbraw/zinc/28/80/44/1314288044.db2.gz NXQUCQLTDSOWRE-UHFFFAOYSA-N -1 0 348.156 2.952 20 30 EFEDRM COCCN(CCC(=O)[O-])c1c(C#N)cnc2c(Cl)cccc21 ZINC000900978802 1309100928 /nfs/dbraw/zinc/10/09/28/1309100928.db2.gz RMRLMNBUGSBLMT-UHFFFAOYSA-N -1 0 333.775 2.687 20 30 EFEDRM COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(C(=O)[O-])nc1 ZINC001210170826 1314291432 /nfs/dbraw/zinc/29/14/32/1314291432.db2.gz WUHKMBKJAXZHQA-UHFFFAOYSA-N -1 0 349.393 2.965 20 30 EFEDRM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001413278046 1309238583 /nfs/dbraw/zinc/23/85/83/1309238583.db2.gz CESSCFPOQDOHHA-MNOVXSKESA-N -1 0 328.384 2.941 20 30 EFEDRM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001413278043 1309238946 /nfs/dbraw/zinc/23/89/46/1309238946.db2.gz CESSCFPOQDOHHA-GHMZBOCLSA-N -1 0 328.384 2.941 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(C(=O)[O-])ccc1OC ZINC001210260437 1314304228 /nfs/dbraw/zinc/30/42/28/1314304228.db2.gz NVOVRCWPVFSKOM-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM CC#CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000801177744 1309334819 /nfs/dbraw/zinc/33/48/19/1309334819.db2.gz FQTJCIXAKPYQEP-GFCCVEGCSA-N -1 0 348.449 2.749 20 30 EFEDRM CC[C@]1(C)NC(=O)N(N=Cc2csc3ccc(C(=O)[O-])cc23)C1=O ZINC000901144790 1309602245 /nfs/dbraw/zinc/60/22/45/1309602245.db2.gz WFNMHLLGIFGWLQ-INIZCTEOSA-N -1 0 345.380 2.654 20 30 EFEDRM N#Cc1ncnc2ccc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cc12 ZINC001244038913 1314346349 /nfs/dbraw/zinc/34/63/49/1314346349.db2.gz UGCPBRPXPPCPAD-UHFFFAOYSA-N -1 0 346.346 2.972 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NN[C@@H]2CCCSC2)c1 ZINC000901277535 1310033351 /nfs/dbraw/zinc/03/33/51/1310033351.db2.gz CWPPXFPLWSKELO-LLVKDONJSA-N -1 0 343.246 2.966 20 30 EFEDRM N#Cc1cccc(COC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000801379085 1310043774 /nfs/dbraw/zinc/04/37/74/1310043774.db2.gz YYJVICGNSNUTAP-UHFFFAOYSA-N -1 0 337.310 2.946 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cc(OC)cc(C(=O)[O-])c2)c1C#N ZINC001244175614 1314359324 /nfs/dbraw/zinc/35/93/24/1314359324.db2.gz OIXSJCPUOYZSMD-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM COC(=O)c1ccc(-c2cc(C(=O)[O-])c(Cl)cc2F)c(C#N)n1 ZINC001244611957 1314394987 /nfs/dbraw/zinc/39/49/87/1314394987.db2.gz BSHKUICZALSJQI-UHFFFAOYSA-N -1 0 334.690 2.898 20 30 EFEDRM O=C([O-])c1coc2c1C(=O)/C(=C/c1nccn1CC(F)(F)F)CC2 ZINC000901516219 1310594537 /nfs/dbraw/zinc/59/45/37/1310594537.db2.gz SDGREFAYLKNFSW-VMPITWQZSA-N -1 0 340.257 2.949 20 30 EFEDRM O=C([O-])c1coc2c1C(=O)/C(=C\c1nccn1CC(F)(F)F)CC2 ZINC000901516220 1310594811 /nfs/dbraw/zinc/59/48/11/1310594811.db2.gz SDGREFAYLKNFSW-YVMONPNESA-N -1 0 340.257 2.949 20 30 EFEDRM Cn1nc(C(F)(F)F)cc1/C=C1\CCc2occ(C(=O)[O-])c2C1=O ZINC000901517336 1310596358 /nfs/dbraw/zinc/59/63/58/1310596358.db2.gz ZUUUYYWFVHUDKN-QPJJXVBHSA-N -1 0 340.257 2.943 20 30 EFEDRM N#Cc1c(N)cc(=N)n(-c2cccc([O-])c2Cl)c1Br ZINC001210844816 1314398112 /nfs/dbraw/zinc/39/81/12/1314398112.db2.gz LVAOYQHQTKLSGC-UHFFFAOYSA-N -1 0 339.580 2.532 20 30 EFEDRM CCn1ccnc1C(=O)/C=C\c1ccc(OCCC(=O)[O-])c(OC)c1 ZINC000901557006 1310662649 /nfs/dbraw/zinc/66/26/49/1310662649.db2.gz XEFRFFGIYGSZOR-XQRVVYSFSA-N -1 0 344.367 2.661 20 30 EFEDRM O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1ccc([O-])cc1Cl ZINC000901578365 1310690583 /nfs/dbraw/zinc/69/05/83/1310690583.db2.gz LRZJERGRZIDLIN-ACVFHECNSA-N -1 0 333.775 2.712 20 30 EFEDRM N#Cc1c(Cl)cccc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001244733588 1314406260 /nfs/dbraw/zinc/40/62/60/1314406260.db2.gz FCUCXLCSEPBIPL-UHFFFAOYSA-N -1 0 333.756 2.702 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)cc1F ZINC000901765812 1311018679 /nfs/dbraw/zinc/01/86/79/1311018679.db2.gz KJOUMGZEGUWKSK-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901766928 1311019453 /nfs/dbraw/zinc/01/94/53/1311019453.db2.gz DKMHSAZBLXTWKV-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c(C#N)c1 ZINC001222679281 1311172149 /nfs/dbraw/zinc/17/21/49/1311172149.db2.gz ZPVMTAUZCYWGRB-UHFFFAOYSA-N -1 0 336.347 2.913 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1 ZINC000802040761 1311256999 /nfs/dbraw/zinc/25/69/99/1311256999.db2.gz KICJGOQTRZAWJY-LBPRGKRZSA-N -1 0 339.351 2.912 20 30 EFEDRM CCC[C@@H](CC(=O)OC)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893257 1311317081 /nfs/dbraw/zinc/31/70/81/1311317081.db2.gz TXRWTWGTIIBFNR-ICDILTBESA-N -1 0 325.361 2.588 20 30 EFEDRM CCOC(=O)CC1CC(O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223893668 1311317100 /nfs/dbraw/zinc/31/71/00/1311317100.db2.gz YLCMDEUYOFPQLU-ZCXUNETKSA-N -1 0 337.372 2.588 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccccc1C(C)C ZINC001223908148 1311319371 /nfs/dbraw/zinc/31/93/71/1311319371.db2.gz PMVVFTOLHUFREQ-OAHLLOKOSA-N -1 0 328.430 2.786 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccc(C(C)C)c1 ZINC001223948642 1311324630 /nfs/dbraw/zinc/32/46/30/1311324630.db2.gz OBTRBLWRAWLTLS-MRXNPFEDSA-N -1 0 328.430 2.786 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1csc2ccccc12 ZINC001223977026 1311328390 /nfs/dbraw/zinc/32/83/90/1311328390.db2.gz RLDRUNLMSPXDHN-ZDUSSCGKSA-N -1 0 342.438 2.877 20 30 EFEDRM O=S(=O)([O-])CCO[C@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224571702 1311408977 /nfs/dbraw/zinc/40/89/77/1311408977.db2.gz OIQMEXMYIVIOLZ-SFHVURJKSA-N -1 0 328.389 2.588 20 30 EFEDRM O=S(=O)([O-])CCCO[C@@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224896156 1311447936 /nfs/dbraw/zinc/44/79/36/1311447936.db2.gz ALRIUNRVYJJYHM-LJQANCHMSA-N -1 0 342.416 2.978 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)co1 ZINC000802212928 1311464921 /nfs/dbraw/zinc/46/49/21/1311464921.db2.gz ISTKJCYJYQMZSV-ZDUSSCGKSA-N -1 0 345.786 2.919 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000802213307 1311468030 /nfs/dbraw/zinc/46/80/30/1311468030.db2.gz VMGVPAVVPHJQMB-CQSZACIVSA-N -1 0 343.333 2.616 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(Cl)cc(Cl)c1 ZINC001225233668 1311492753 /nfs/dbraw/zinc/49/27/53/1311492753.db2.gz LCMONHPWCDLEEK-GFCCVEGCSA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C(C)C)ccc1C ZINC001225223430 1311491811 /nfs/dbraw/zinc/49/18/11/1311491811.db2.gz URCGSXRARILPTN-OAHLLOKOSA-N -1 0 328.430 2.956 20 30 EFEDRM C#C[C@@H](CCCCCCCCCCC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225832701 1311580297 /nfs/dbraw/zinc/58/02/97/1311580297.db2.gz OQVRFXIAAQOKDB-AWEZNQCLSA-N -1 0 334.412 2.650 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)c(F)cc1C#N ZINC001226013855 1311601377 /nfs/dbraw/zinc/60/13/77/1311601377.db2.gz RSMZKIROUAHYBK-CYBMUJFWSA-N -1 0 349.362 2.742 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(CC(Oc3[n-]c(=O)c(F)cc3C#N)C2)C1 ZINC001226012797 1311601421 /nfs/dbraw/zinc/60/14/21/1311601421.db2.gz GGWLQEKXQLVJEI-UHFFFAOYSA-N -1 0 349.362 2.576 20 30 EFEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cc(Br)no1 ZINC001226015628 1311601484 /nfs/dbraw/zinc/60/14/84/1311601484.db2.gz LQLPXQUIZQTPSC-YFKPBYRVSA-N -1 0 328.097 2.688 20 30 EFEDRM CCOC(=O)C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1 ZINC001226014628 1311601528 /nfs/dbraw/zinc/60/15/28/1311601528.db2.gz YSRUQKFFFRXPLS-CQSZACIVSA-N -1 0 330.315 2.871 20 30 EFEDRM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065492 1311608180 /nfs/dbraw/zinc/60/81/80/1311608180.db2.gz UJMIWISWSASJSR-KCJUWKMLSA-N -1 0 344.289 2.788 20 30 EFEDRM CCC1=C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C(=O)[C@H](C)O1 ZINC001226064790 1311608364 /nfs/dbraw/zinc/60/83/64/1311608364.db2.gz QCTGSKMCXMHUOI-LURJTMIESA-N -1 0 328.246 2.666 20 30 EFEDRM CCC[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)OCC ZINC001226066219 1311608371 /nfs/dbraw/zinc/60/83/71/1311608371.db2.gz ZGJUDJXFWOOTKP-SNVBAGLBSA-N -1 0 332.278 2.788 20 30 EFEDRM CCC[C@H](CC(=O)OC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226066580 1311608633 /nfs/dbraw/zinc/60/86/33/1311608633.db2.gz BYCVDEMQBLZNPM-MRVPVSSYSA-N -1 0 332.278 2.788 20 30 EFEDRM COC(=O)[C@@H]1C[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1(C)C ZINC001226067607 1311608887 /nfs/dbraw/zinc/60/88/87/1311608887.db2.gz IMMGUMWWWUBXSQ-UWVGGRQHSA-N -1 0 344.289 2.644 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226222236 1311632417 /nfs/dbraw/zinc/63/24/17/1311632417.db2.gz WSXNKAYHKIFBMW-LLVKDONJSA-N -1 0 333.388 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(OC2CC3(CCN3C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221143 1311632490 /nfs/dbraw/zinc/63/24/90/1311632490.db2.gz HKFXNFHZRYEIKP-UHFFFAOYSA-N -1 0 345.399 2.888 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1C#N ZINC001226223065 1311633204 /nfs/dbraw/zinc/63/32/04/1311633204.db2.gz KHLCSDIJAVUVEW-TZMCWYRMSA-N -1 0 347.415 2.992 20 30 EFEDRM O/N=C/c1ccnc(O[C@@H]2Cc3ccc(Br)cc3C2)n1 ZINC001226254135 1311638172 /nfs/dbraw/zinc/63/81/72/1311638172.db2.gz RZBFAGNAHBWVIF-QOSBVPTNSA-N -1 0 334.173 2.593 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226409009 1311663028 /nfs/dbraw/zinc/66/30/28/1311663028.db2.gz PHMJNVOLVBBHEJ-UHFFFAOYSA-N -1 0 334.347 2.627 20 30 EFEDRM C=CC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])c1ccccc1 ZINC001226649584 1311702286 /nfs/dbraw/zinc/70/22/86/1311702286.db2.gz LTLXXIXVKIYOBN-LLVKDONJSA-N -1 0 345.311 2.573 20 30 EFEDRM C#CC(C#C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227032382 1311754128 /nfs/dbraw/zinc/75/41/28/1311754128.db2.gz NMUFETCGCIHYNN-UHFFFAOYSA-N -1 0 348.310 2.591 20 30 EFEDRM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc(=O)[nH]n3)[C@@H]12 ZINC001227092774 1311761150 /nfs/dbraw/zinc/76/11/50/1311761150.db2.gz DQXKQBYALRNMRN-LZLXCTOHSA-N -1 0 342.395 2.938 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)nc2[nH]ccc21 ZINC001227270635 1311786029 /nfs/dbraw/zinc/78/60/29/1311786029.db2.gz JJFWCIDPVNCDMN-LBPRGKRZSA-N -1 0 346.387 2.608 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1C(C)(C)C ZINC001227470978 1311810487 /nfs/dbraw/zinc/81/04/87/1311810487.db2.gz ZLCXQRLWKXSYKG-CYBMUJFWSA-N -1 0 328.430 2.822 20 30 EFEDRM CC#C[C@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495016 1311812372 /nfs/dbraw/zinc/81/23/72/1311812372.db2.gz KRYNTKAZEQJOIK-JTQLQIEISA-N -1 0 340.397 2.988 20 30 EFEDRM C#C[C@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227593726 1311825773 /nfs/dbraw/zinc/82/57/73/1311825773.db2.gz HKTMPUSGTRCUIZ-VIFPVBQESA-N -1 0 345.156 2.574 20 30 EFEDRM C#C[C@@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227593725 1311826066 /nfs/dbraw/zinc/82/60/66/1311826066.db2.gz HKTMPUSGTRCUIZ-SECBINFHSA-N -1 0 345.156 2.574 20 30 EFEDRM CSc1nc(O[C@H](CC#N)c2ccccc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624809 1311832999 /nfs/dbraw/zinc/83/29/99/1311832999.db2.gz FTSVPAXCFVNBKL-SNVBAGLBSA-N -1 0 332.341 2.846 20 30 EFEDRM CC#CC[C@@H](CC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227638426 1311835404 /nfs/dbraw/zinc/83/54/04/1311835404.db2.gz VTGWXKAWMMZCBW-LLVKDONJSA-N -1 0 338.356 2.909 20 30 EFEDRM C[C@@H](Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21)[C@H](C)S ZINC001227670538 1311836978 /nfs/dbraw/zinc/83/69/78/1311836978.db2.gz DPQDBROLPQSPPA-BDAKNGLRSA-N -1 0 328.411 2.878 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc(-n2nn[n-]c2=S)cc1 ZINC001228436338 1311947695 /nfs/dbraw/zinc/94/76/95/1311947695.db2.gz BJRTYADUJFHZCV-GFCCVEGCSA-N -1 0 348.428 2.616 20 30 EFEDRM N#C[C@@H](Oc1ccc(-n2nn[n-]c2=S)cc1)c1ccccc1F ZINC001228442149 1311949048 /nfs/dbraw/zinc/94/90/48/1311949048.db2.gz VKKNHEXAQAMYQY-CQSZACIVSA-N -1 0 327.344 2.734 20 30 EFEDRM Cc1[nH]c(C=NN[C@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000802715336 1311950527 /nfs/dbraw/zinc/95/05/27/1311950527.db2.gz ZXDHABOTAWWPSV-LLVKDONJSA-N -1 0 343.383 2.695 20 30 EFEDRM CCC#C[C@H](C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520284 1311960085 /nfs/dbraw/zinc/96/00/85/1311960085.db2.gz XVGMNMLWZXZVDZ-NSHDSACASA-N -1 0 342.347 2.921 20 30 EFEDRM C#CC[C@@H](C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228519976 1311960386 /nfs/dbraw/zinc/96/03/86/1311960386.db2.gz SYVVQRNTEIMYQE-SNVBAGLBSA-N -1 0 328.320 2.531 20 30 EFEDRM CC#C[C@@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228523245 1311960860 /nfs/dbraw/zinc/96/08/60/1311960860.db2.gz SUCROKHPWRJICD-CYBMUJFWSA-N -1 0 342.347 2.921 20 30 EFEDRM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1C#N ZINC001228609794 1311969856 /nfs/dbraw/zinc/96/98/56/1311969856.db2.gz ISHOZAFBLYVNOD-SECBINFHSA-N -1 0 326.312 2.979 20 30 EFEDRM C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2ncn(C)c21 ZINC001228674569 1311979942 /nfs/dbraw/zinc/97/99/42/1311979942.db2.gz NZYUPXXWHCRTKJ-NSHDSACASA-N -1 0 326.356 2.774 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC12CC(Oc1[n-]c(=O)ccc1C#N)C2 ZINC001228898309 1312016283 /nfs/dbraw/zinc/01/62/83/1312016283.db2.gz FMZYYRQVXLEWPI-UHFFFAOYSA-N -1 0 331.372 2.580 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1Cc2ccc(Br)cc2C1 ZINC001228898473 1312016576 /nfs/dbraw/zinc/01/65/76/1312016576.db2.gz GVLPMONYDSQMSY-CYBMUJFWSA-N -1 0 331.169 2.968 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899433 1312016936 /nfs/dbraw/zinc/01/69/36/1312016936.db2.gz XFKLXCFJFRGDPI-ZDUSSCGKSA-N -1 0 331.372 2.603 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001228905940 1312018204 /nfs/dbraw/zinc/01/82/04/1312018204.db2.gz RMNIURPTFMESRI-HNNXBMFYSA-N -1 0 345.349 2.947 20 30 EFEDRM C=CC[C@H](Oc1nc[n-]c(=O)c1I)C(C)C ZINC001228932636 1312022474 /nfs/dbraw/zinc/02/24/74/1312022474.db2.gz IIDXLBXJYFIAOZ-QMMMGPOBSA-N -1 0 334.157 2.766 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969812 1312028914 /nfs/dbraw/zinc/02/89/14/1312028914.db2.gz CYJRUPFBHHWPEO-JTQLQIEISA-N -1 0 325.317 2.671 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1occ2c1CCC2 ZINC000802797697 1312032833 /nfs/dbraw/zinc/03/28/33/1312032833.db2.gz ZOMKACXLSMSSIV-AWEZNQCLSA-N -1 0 344.317 2.685 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OC(=O)[C@H](C)O ZINC001229408683 1312091098 /nfs/dbraw/zinc/09/10/98/1312091098.db2.gz YBBPYTPOZHFBOW-CRALRDPISA-N -1 0 342.347 2.583 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1 ZINC000802868339 1312091975 /nfs/dbraw/zinc/09/19/75/1312091975.db2.gz LDWGEJKJQIKNAF-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM N#CC1(CCCCN2c3ccccc3C([O-])=CS2(=O)=O)CCC1 ZINC000902778089 1312099518 /nfs/dbraw/zinc/09/95/18/1312099518.db2.gz BSVLYBGJYPERGQ-UHFFFAOYSA-N -1 0 332.425 2.883 20 30 EFEDRM Cc1cccc(-c2ccc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)cc2)c1 ZINC001162576916 1312128224 /nfs/dbraw/zinc/12/82/24/1312128224.db2.gz URPVTYLDPGDLOI-UHFFFAOYSA-N -1 0 346.390 2.533 20 30 EFEDRM N#CCN1CC[C@H](Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229798606 1312142250 /nfs/dbraw/zinc/14/22/50/1312142250.db2.gz ZGWSZXSVAZNHMO-AWEZNQCLSA-N -1 0 336.347 2.628 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)ccc1C#N ZINC000903145285 1312406035 /nfs/dbraw/zinc/40/60/35/1312406035.db2.gz SMMZGWGOLVTVGY-LLVKDONJSA-N -1 0 334.228 2.587 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccncc2C#N)cc1C(C)C ZINC000903150162 1312411987 /nfs/dbraw/zinc/41/19/87/1312411987.db2.gz NSIIXGXAQFPZBU-UHFFFAOYSA-N -1 0 345.424 2.698 20 30 EFEDRM CC[C@H](C#Cc1ccccc1)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231075335 1312423984 /nfs/dbraw/zinc/42/39/84/1312423984.db2.gz CKUTWLXVVJFABL-LLVKDONJSA-N -1 0 333.731 2.953 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C#N ZINC000903173841 1312429266 /nfs/dbraw/zinc/42/92/66/1312429266.db2.gz XFSAAZJUBXAIFP-UHFFFAOYSA-N -1 0 332.429 2.699 20 30 EFEDRM O=C([N-]CCNc1cc(/C=N/O)cc(C(F)(F)F)c1)C(F)(F)F ZINC001164246264 1312477309 /nfs/dbraw/zinc/47/73/09/1312477309.db2.gz WQTNNXJBMBDIDI-AERZKKPOSA-N -1 0 343.227 2.604 20 30 EFEDRM COc1cc(C=NNC(=S)Nc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000252477301 1312500702 /nfs/dbraw/zinc/50/07/02/1312500702.db2.gz LRBSZUUNXBIEOX-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM N#Cc1ccccc1OC1CN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231461741 1312503687 /nfs/dbraw/zinc/50/36/87/1312503687.db2.gz QCTQGTWHWRFUEF-UHFFFAOYSA-N -1 0 326.327 2.659 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Br)c1 ZINC000753531645 1312522300 /nfs/dbraw/zinc/52/23/00/1312522300.db2.gz FJVZGNUKJOVNKV-VIFPVBQESA-N -1 0 341.592 2.727 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3nc(Br)ccc3[O-])n2)nc1 ZINC001213052055 1312529137 /nfs/dbraw/zinc/52/91/37/1312529137.db2.gz BDBGTIBJIKLKND-UHFFFAOYSA-N -1 0 344.128 2.533 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1c([O-])cccc1F ZINC001245652833 1314520351 /nfs/dbraw/zinc/52/03/51/1314520351.db2.gz IJVUJOWUPOPFDV-SNVBAGLBSA-N -1 0 337.310 2.922 20 30 EFEDRM N#Cc1ccc(-n2[n-]c(Cc3cc(F)c(F)cc3F)cc2=O)cn1 ZINC001245928982 1314550570 /nfs/dbraw/zinc/55/05/70/1314550570.db2.gz NZSNRUYXYBVLCR-UHFFFAOYSA-N -1 0 330.269 2.853 20 30 EFEDRM N#Cc1ccc(-c2cc(=O)n(-c3ncc(Br)cn3)[n-]2)cc1 ZINC001245932448 1314550921 /nfs/dbraw/zinc/55/09/21/1314550921.db2.gz HAEREVPGQCJAIA-UHFFFAOYSA-N -1 0 342.156 2.669 20 30 EFEDRM COC(=O)c1ccc(-n2[n-]c(-c3cccc(C#N)c3)cc2=O)cc1OC ZINC001245937666 1314551833 /nfs/dbraw/zinc/55/18/33/1314551833.db2.gz RVLWBMOYRMMYFR-UHFFFAOYSA-N -1 0 349.346 2.912 20 30 EFEDRM CSc1ncccc1C(=O)n1[n-]c(-c2ccc(C#N)cc2)cc1=O ZINC001245933624 1314551840 /nfs/dbraw/zinc/55/18/40/1314551840.db2.gz SKTFBFQCTUSPFF-UHFFFAOYSA-N -1 0 336.376 2.933 20 30 EFEDRM CN(C)c1ccc(C(=O)n2[n-]c(-c3cccc(C#N)c3)cc2=O)cc1 ZINC001245937291 1314552008 /nfs/dbraw/zinc/55/20/08/1314552008.db2.gz LSNSEMJCGOFRGE-UHFFFAOYSA-N -1 0 332.363 2.882 20 30 EFEDRM N#Cc1ccc(-n2[n-]c(-c3ccc(N4CCOCC4)cc3)cc2=O)cc1 ZINC001245941406 1314552460 /nfs/dbraw/zinc/55/24/60/1314552460.db2.gz ATFNNXQZUIZYBC-UHFFFAOYSA-N -1 0 346.390 2.953 20 30 EFEDRM COc1cc(Nc2ccc(NC(C)=O)c(C#N)c2)cc(C(=O)[O-])c1 ZINC001213592873 1314577857 /nfs/dbraw/zinc/57/78/57/1314577857.db2.gz QOLUEIMPWGALCX-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(CCC(=O)[O-])cc2)nc1C#N ZINC001213625878 1314582793 /nfs/dbraw/zinc/58/27/93/1314582793.db2.gz XJGKWNBYOLFCMU-UHFFFAOYSA-N -1 0 327.731 2.634 20 30 EFEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1OC ZINC000119796280 1314706867 /nfs/dbraw/zinc/70/68/67/1314706867.db2.gz HXQMLZWNBAKGCE-HNNXBMFYSA-N -1 0 342.395 2.641 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556438 1314707300 /nfs/dbraw/zinc/70/73/00/1314707300.db2.gz SEZXJUSWZWXYQV-UHFFFAOYSA-N -1 0 330.710 2.776 20 30 EFEDRM N#Cc1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000119819611 1314713679 /nfs/dbraw/zinc/71/36/79/1314713679.db2.gz OUVDMSFEIZKBKT-FNORWQNLSA-N -1 0 348.402 2.992 20 30 EFEDRM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000119817251 1314713878 /nfs/dbraw/zinc/71/38/78/1314713878.db2.gz PPZRBXGFQIHLMZ-VIFPVBQESA-N -1 0 328.199 2.713 20 30 EFEDRM N#Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)c(Br)n1 ZINC001215120340 1314784262 /nfs/dbraw/zinc/78/42/62/1314784262.db2.gz YDKWSCNNLDVTIW-UHFFFAOYSA-N -1 0 337.108 2.692 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215269823 1314807507 /nfs/dbraw/zinc/80/75/07/1314807507.db2.gz GJAVRUOTYDBSOF-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM C=CCCNC(=S)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001247649902 1314814928 /nfs/dbraw/zinc/81/49/28/1314814928.db2.gz LMAABEPQNOVFJP-UHFFFAOYSA-N -1 0 336.438 2.949 20 30 EFEDRM N#Cc1nn(-c2ccc(Cl)c(C(=O)[O-])c2F)c2ccc(N)cc12 ZINC001215700020 1314869371 /nfs/dbraw/zinc/86/93/71/1314869371.db2.gz HFSSJZAAOBLPJL-UHFFFAOYSA-N -1 0 330.706 2.970 20 30 EFEDRM N#Cc1cccc2c1c(N)nn2-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215696566 1314869377 /nfs/dbraw/zinc/86/93/77/1314869377.db2.gz TUXAXWQDTJKFBI-UHFFFAOYSA-N -1 0 330.706 2.970 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1ccc(C(=O)[O-])cc1Cl ZINC001248548603 1314943368 /nfs/dbraw/zinc/94/33/68/1314943368.db2.gz GEXCSCLGJBJLHO-UHFFFAOYSA-N -1 0 340.730 2.629 20 30 EFEDRM N#Cc1cc(-c2nc(-c3ccc(OC4COC4)cc3)no2)ccc1[O-] ZINC001216969701 1315027141 /nfs/dbraw/zinc/02/71/41/1315027141.db2.gz NGWKKECAMMGMDD-UHFFFAOYSA-N -1 0 335.319 2.758 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3cccnc3OC(F)F)no2)c([O-])c1 ZINC001217039727 1315032567 /nfs/dbraw/zinc/03/25/67/1315032567.db2.gz YKPHGKPEUKHTNL-UHFFFAOYSA-N -1 0 330.250 2.977 20 30 EFEDRM Cc1nc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)ccc1F ZINC001217502057 1315079075 /nfs/dbraw/zinc/07/90/75/1315079075.db2.gz DKJOXHVPKIQYOB-UHFFFAOYSA-N -1 0 347.309 2.959 20 30 EFEDRM Cc1cncc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)c1 ZINC001217507957 1315079295 /nfs/dbraw/zinc/07/92/95/1315079295.db2.gz XBLKGRMEDHLIDP-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1ccncc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217506530 1315079577 /nfs/dbraw/zinc/07/95/77/1315079577.db2.gz LFDJDGOJVVDNKK-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM N#Cc1cccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502708 1315079591 /nfs/dbraw/zinc/07/95/91/1315079591.db2.gz RFCJPFFQHNVTQU-UHFFFAOYSA-N -1 0 339.314 2.988 20 30 EFEDRM Cc1nc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)ccc1F ZINC001217506650 1315079631 /nfs/dbraw/zinc/07/96/31/1315079631.db2.gz MYXLBCBDXAERSE-UHFFFAOYSA-N -1 0 347.309 2.959 20 30 EFEDRM Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2cccs2)cc1 ZINC001250867874 1315283180 /nfs/dbraw/zinc/28/31/80/1315283180.db2.gz WDEHGGUJQYBBAF-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2cccs2)c(C#N)c1C ZINC001250866974 1315283289 /nfs/dbraw/zinc/28/32/89/1315283289.db2.gz DIJPYWOBQIEDLO-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)C(F)(F)F)c1cccs1 ZINC001250934292 1315298148 /nfs/dbraw/zinc/29/81/48/1315298148.db2.gz CMNDCINNTRDTSI-UHFFFAOYSA-N -1 0 345.261 2.859 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250969647 1315303170 /nfs/dbraw/zinc/30/31/70/1315303170.db2.gz CAVRVVXLINWYEI-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM N#Cc1ncc(Br)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001251115476 1315322804 /nfs/dbraw/zinc/32/28/04/1315322804.db2.gz DFGCTEGFHOETRJ-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccccc2)cc1C(F)(F)F ZINC001251116098 1315323910 /nfs/dbraw/zinc/32/39/10/1315323910.db2.gz FPMLSLZKTJDWJB-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251239548 1315333550 /nfs/dbraw/zinc/33/35/50/1315333550.db2.gz IAIMBXHTHKFOOV-GFCCVEGCSA-N -1 0 342.289 2.599 20 30 EFEDRM CC(C)(C)C#CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251246778 1315334503 /nfs/dbraw/zinc/33/45/03/1315334503.db2.gz LAEOCTKQHCSVRQ-UHFFFAOYSA-N -1 0 341.301 2.710 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001251531500 1315353674 /nfs/dbraw/zinc/35/36/74/1315353674.db2.gz ODSQSKMMKHAOHH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001251531542 1315353752 /nfs/dbraw/zinc/35/37/52/1315353752.db2.gz QXPHJVGZYKURCF-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251668124 1315364826 /nfs/dbraw/zinc/36/48/26/1315364826.db2.gz JEROWUFDQNBGRF-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)cc1 ZINC001251805031 1315378845 /nfs/dbraw/zinc/37/88/45/1315378845.db2.gz DCPFWJSMQIIAIA-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM O=S(=O)([N-][C@H](c1cccc(F)c1)C(F)(F)F)C(F)(F)F ZINC001252368340 1315440171 /nfs/dbraw/zinc/44/01/71/1315440171.db2.gz SLNOCRGIPHROHB-SSDOTTSWSA-N -1 0 325.205 2.868 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000316284829 1315457894 /nfs/dbraw/zinc/45/78/94/1315457894.db2.gz GQRYZDYMOKSIRQ-NSHDSACASA-N -1 0 338.212 2.691 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252892220 1315523512 /nfs/dbraw/zinc/52/35/12/1315523512.db2.gz BFTGFTXMLGBSOR-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM CCCCCCCCCC[C@@H](O)C[NH2+]CCOP(=O)([O-])[O-] ZINC001252987356 1315546952 /nfs/dbraw/zinc/54/69/52/1315546952.db2.gz RLFQXSDCHIKNEH-CQSZACIVSA-N -1 0 325.386 2.577 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)CC(F)(F)F ZINC001253188844 1315578055 /nfs/dbraw/zinc/57/80/55/1315578055.db2.gz JRYKBKLSXNHYCW-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253188906 1315578201 /nfs/dbraw/zinc/57/82/01/1315578201.db2.gz MQEMRXFTLSLJPE-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1C ZINC001254044924 1315669466 /nfs/dbraw/zinc/66/94/66/1315669466.db2.gz LINBSQVQIDQRGN-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCCCCc1cn(Cc2cccc(C(=O)CC(=O)C(=O)[O-])c2)nn1 ZINC001254081813 1315671548 /nfs/dbraw/zinc/67/15/48/1315671548.db2.gz WGBOJXKWLPOOSO-YVLHZVERSA-N -1 0 343.383 2.768 20 30 EFEDRM O=C([O-])C(O)=CC(=O)c1cccc(Cn2cc(C3CCCC3)nn2)c1 ZINC001254083513 1315671864 /nfs/dbraw/zinc/67/18/64/1315671864.db2.gz FMUZRNYYAAPTCH-MFOYZWKCSA-N -1 0 341.367 2.693 20 30 EFEDRM C#Cc1cc(C#C)cc(-c2cn(Cc3ccccc3C(=O)[O-])nn2)c1 ZINC001254099830 1315672921 /nfs/dbraw/zinc/67/29/21/1315672921.db2.gz WFOCFSKAJPFQSR-UHFFFAOYSA-N -1 0 327.343 2.654 20 30 EFEDRM C#Cc1ccc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)cc1 ZINC001254163560 1315677199 /nfs/dbraw/zinc/67/71/99/1315677199.db2.gz CYQZXFXHPFYBEB-UHFFFAOYSA-N -1 0 329.315 2.728 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)N(CC)C1CCCCC1 ZINC001254368477 1315697907 /nfs/dbraw/zinc/69/79/07/1315697907.db2.gz VAFRPDLONVZSHK-UHFFFAOYSA-N -1 0 328.478 2.586 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001254420083 1315702685 /nfs/dbraw/zinc/70/26/85/1315702685.db2.gz MELGWRRBMYYRET-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c1 ZINC001254420210 1315703011 /nfs/dbraw/zinc/70/30/11/1315703011.db2.gz VCVSWFHHLRFREJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC001255506316 1315833907 /nfs/dbraw/zinc/83/39/07/1315833907.db2.gz JOOHLDMBANCGNV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001255721357 1315861573 /nfs/dbraw/zinc/86/15/73/1315861573.db2.gz CRMMKQZLDJRYLJ-UHFFFAOYSA-N -1 0 348.449 2.787 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 ZINC001255741009 1315863480 /nfs/dbraw/zinc/86/34/80/1315863480.db2.gz JVMLZUQJUSWASA-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256072196 1315899487 /nfs/dbraw/zinc/89/94/87/1315899487.db2.gz DGTNJECHZMTFSW-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1F ZINC001256077743 1315901579 /nfs/dbraw/zinc/90/15/79/1315901579.db2.gz RSDGZJVPLQFCEW-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC001256551933 1315955215 /nfs/dbraw/zinc/95/52/15/1315955215.db2.gz YHOCTWDGCHFOCF-OAHLLOKOSA-N -1 0 331.412 2.961 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC001256574609 1315962328 /nfs/dbraw/zinc/96/23/28/1315962328.db2.gz CBHRJCPRWDPEJW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC001256869019 1316002162 /nfs/dbraw/zinc/00/21/62/1316002162.db2.gz MQYQNJXLBPAPTG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1C#N ZINC001257183502 1316044818 /nfs/dbraw/zinc/04/48/18/1316044818.db2.gz SSWUXRGSBFNTEU-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM CN(C)Cc1cnc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC001257399138 1316062222 /nfs/dbraw/zinc/06/22/22/1316062222.db2.gz MRHQONYCWNFLMJ-BQYQJAHWSA-N -1 0 330.409 2.728 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C#N)cc1C#N ZINC001257556687 1316073818 /nfs/dbraw/zinc/07/38/18/1316073818.db2.gz LTFHDKWFSJVIOT-UHFFFAOYSA-N -1 0 346.799 2.896 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2F)cc1 ZINC001258045410 1316115164 /nfs/dbraw/zinc/11/51/64/1316115164.db2.gz KFOGDELTCOJAGK-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn2n1 ZINC001258053766 1316115814 /nfs/dbraw/zinc/11/58/14/1316115814.db2.gz NTPTVRUXHPLGJL-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnc2ccc(Cl)cc12 ZINC001258201461 1316131090 /nfs/dbraw/zinc/13/10/90/1316131090.db2.gz CLAUXTWNJSEEOR-UHFFFAOYSA-N -1 0 343.795 2.983 20 30 EFEDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258201558 1316131105 /nfs/dbraw/zinc/13/11/05/1316131105.db2.gz ICDZJRQLPBOFPL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnc2ccc(O)cc2c1 ZINC001258208354 1316131397 /nfs/dbraw/zinc/13/13/97/1316131397.db2.gz MRBKDPPINBSOPI-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COC(=O)c1csc(C)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258208119 1316131476 /nfs/dbraw/zinc/13/14/76/1316131476.db2.gz IJQXGSPYNTYTQV-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cncc(N2CCCCC2)c1 ZINC001258214807 1316131904 /nfs/dbraw/zinc/13/19/04/1316131904.db2.gz RIIFSXWDRJQSAX-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM CC(C)c1cnn2cc([N-]S(=O)(=O)c3ccccc3C#N)cnc12 ZINC001258215048 1316132040 /nfs/dbraw/zinc/13/20/40/1316132040.db2.gz YIYREGOZKVBTEH-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)cnc1OC(C)C ZINC001258215046 1316132104 /nfs/dbraw/zinc/13/21/04/1316132104.db2.gz YINJEAOVQRRXNZ-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258916662 1316192230 /nfs/dbraw/zinc/19/22/30/1316192230.db2.gz PRGWCMZGKHPITI-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001258927212 1316192718 /nfs/dbraw/zinc/19/27/18/1316192718.db2.gz OUZLJNUYIWKWNE-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1C#N ZINC001258967941 1316198267 /nfs/dbraw/zinc/19/82/67/1316198267.db2.gz OWJJIGAWWITQKH-ZBEGNZNMSA-N -1 0 336.413 2.597 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1sccc1C#N)C(=O)C2 ZINC001258979402 1316198666 /nfs/dbraw/zinc/19/86/66/1316198666.db2.gz UDSVYEMLFQAWOK-IAQYHMDHSA-N -1 0 338.454 2.757 20 30 EFEDRM CC(C)C[C@@](C)(C#N)NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258991959 1316199333 /nfs/dbraw/zinc/19/93/33/1316199333.db2.gz UBZONPIELLVRMS-XOKHGSTOSA-N -1 0 340.489 2.630 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC001259035570 1316200278 /nfs/dbraw/zinc/20/02/78/1316200278.db2.gz MDWHIAFLKOOPOQ-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259039977 1316200735 /nfs/dbraw/zinc/20/07/35/1316200735.db2.gz UJZHMCAMNYTFHV-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ccn1 ZINC001259045887 1316202026 /nfs/dbraw/zinc/20/20/26/1316202026.db2.gz XCGPTYMXYXNSCY-UHFFFAOYSA-N -1 0 334.400 2.953 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259063363 1316203237 /nfs/dbraw/zinc/20/32/37/1316203237.db2.gz BCIBMEQLIFDZGG-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1 ZINC001259064113 1316203323 /nfs/dbraw/zinc/20/33/23/1316203323.db2.gz ZVRDXTGVYLSWGV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(F)c1F ZINC001259068755 1316203763 /nfs/dbraw/zinc/20/37/63/1316203763.db2.gz NOIZZAAFJAKMSD-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C#N ZINC001259073308 1316204845 /nfs/dbraw/zinc/20/48/45/1316204845.db2.gz QQYCTJSTYKMRSB-UHFFFAOYSA-N -1 0 333.316 2.541 20 30 EFEDRM N#Cc1cc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cs1 ZINC001259083151 1316206637 /nfs/dbraw/zinc/20/66/37/1316206637.db2.gz FAIVSKXSXFFIAS-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091653 1316207445 /nfs/dbraw/zinc/20/74/45/1316207445.db2.gz PBWSOQFXBIVUTE-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC001259091470 1316207747 /nfs/dbraw/zinc/20/77/47/1316207747.db2.gz HOXGXPXIPAGXDI-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2C)cc1OC ZINC001259100942 1316209455 /nfs/dbraw/zinc/20/94/55/1316209455.db2.gz UPBQXQPAWQERPZ-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3cccnc23)c(Cl)c1 ZINC001259106259 1316210229 /nfs/dbraw/zinc/21/02/29/1316210229.db2.gz GEAZMSVOVAPJSM-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM CCOc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107340 1316210633 /nfs/dbraw/zinc/21/06/33/1316210633.db2.gz RLQOVLIXHRSGTO-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)C3)c(Cl)c1 ZINC001259114102 1316210836 /nfs/dbraw/zinc/21/08/36/1316210836.db2.gz PQHZVXLKISJTFJ-UHFFFAOYSA-N -1 0 346.795 2.680 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CO)c(Cl)c1 ZINC001259113191 1316210842 /nfs/dbraw/zinc/21/08/42/1316210842.db2.gz JBPWZHINMGPHQK-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)c(Cl)c1 ZINC001259112490 1316211038 /nfs/dbraw/zinc/21/10/38/1316211038.db2.gz NOHPPGAFJCCVSR-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CC3)c(Cl)c1 ZINC001259114365 1316211083 /nfs/dbraw/zinc/21/10/83/1316211083.db2.gz VCIOMRSVNMDHDN-HNNXBMFYSA-N -1 0 348.811 2.992 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c(Cl)c1 ZINC001259112929 1316211178 /nfs/dbraw/zinc/21/11/78/1316211178.db2.gz SPWOJVHBLQFFQU-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)cnc2c1 ZINC001259118656 1316211626 /nfs/dbraw/zinc/21/16/26/1316211626.db2.gz VJGOOGPOHRKSKI-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2OC(F)(F)F)c1 ZINC001259118479 1316211655 /nfs/dbraw/zinc/21/16/55/1316211655.db2.gz QBVXAWFCZLHFPV-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(C)c1cc2ncc([N-]S(=O)(=O)c3cccc(C#N)c3)cn2n1 ZINC001259118922 1316211859 /nfs/dbraw/zinc/21/18/59/1316211859.db2.gz WZKUORHKZZEVFK-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2)c1 ZINC001259118636 1316211885 /nfs/dbraw/zinc/21/18/85/1316211885.db2.gz MZYNAMMOTBPZTK-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259124854 1316212251 /nfs/dbraw/zinc/21/22/51/1316212251.db2.gz VAWNTFGAEZETHU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC001259125928 1316212372 /nfs/dbraw/zinc/21/23/72/1316212372.db2.gz AMBQJHIRPQCQAV-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC001259124549 1316212456 /nfs/dbraw/zinc/21/24/56/1316212456.db2.gz TWWXAHGOECBNPW-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1C#N ZINC001259157534 1316214093 /nfs/dbraw/zinc/21/40/93/1316214093.db2.gz IMQCWTAVHADLGQ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)cc1 ZINC001259172719 1316214889 /nfs/dbraw/zinc/21/48/89/1316214889.db2.gz NUOKWPRHXBJWKX-UHFFFAOYSA-N -1 0 349.799 2.919 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC001259178573 1316215716 /nfs/dbraw/zinc/21/57/16/1316215716.db2.gz SYAXVHKWBIXSTC-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)cc1 ZINC001259178309 1316215837 /nfs/dbraw/zinc/21/58/37/1316215837.db2.gz KBSNDGCZZTVDPF-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)c1 ZINC001259183515 1316216491 /nfs/dbraw/zinc/21/64/91/1316216491.db2.gz OLFUPNITRDIPJI-UHFFFAOYSA-N -1 0 333.413 2.924 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2OC)c1 ZINC001259190173 1316217905 /nfs/dbraw/zinc/21/79/05/1316217905.db2.gz ZCOFFZUEIKARQT-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001259196768 1316218173 /nfs/dbraw/zinc/21/81/73/1316218173.db2.gz HIOATUJBJPCQGD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001259204611 1316219523 /nfs/dbraw/zinc/21/95/23/1316219523.db2.gz YIHRWNIHYSVXOX-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C)cc1OC ZINC001259204544 1316219779 /nfs/dbraw/zinc/21/97/79/1316219779.db2.gz UHUJIXJUPLGFHY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC001259276148 1316223950 /nfs/dbraw/zinc/22/39/50/1316223950.db2.gz ASLYOGCUMAGMNX-UHFFFAOYSA-N -1 0 335.610 2.878 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccn2)cc1C(F)(F)F ZINC001259288101 1316225434 /nfs/dbraw/zinc/22/54/34/1316225434.db2.gz YQZFTZDGANRJLQ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259288384 1316225492 /nfs/dbraw/zinc/22/54/92/1316225492.db2.gz NYCLFQQXCGNTSO-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1cccc(C#CC(C)(C)O)c1 ZINC001259300944 1316227030 /nfs/dbraw/zinc/22/70/30/1316227030.db2.gz IKYAZPAZDRWXGY-UHFFFAOYSA-N -1 0 345.420 2.618 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C#N)c1 ZINC001259311335 1316228429 /nfs/dbraw/zinc/22/84/29/1316228429.db2.gz BFGRUKNQVYTYHU-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259312254 1316229199 /nfs/dbraw/zinc/22/91/99/1316229199.db2.gz AZNJOPANKCPDCT-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)OC)cc1 ZINC001259325011 1316230441 /nfs/dbraw/zinc/23/04/41/1316230441.db2.gz GSFBCHMKGCIZDG-UHFFFAOYSA-N -1 0 343.404 2.574 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1C#N ZINC001259369402 1316234003 /nfs/dbraw/zinc/23/40/03/1316234003.db2.gz AJBYEHNDEYWDHH-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259384335 1316235907 /nfs/dbraw/zinc/23/59/07/1316235907.db2.gz JRHPJUXSQODRCZ-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001259402968 1316238239 /nfs/dbraw/zinc/23/82/39/1316238239.db2.gz WOYAQIGGTUNTJQ-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC001259412797 1316239245 /nfs/dbraw/zinc/23/92/45/1316239245.db2.gz STVGOSAEASYZJE-UHFFFAOYSA-N -1 0 344.371 2.694 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3nsnc32)ccc1F ZINC001259411011 1316239317 /nfs/dbraw/zinc/23/93/17/1316239317.db2.gz JYMYWSQPRDVORJ-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)ccc1F ZINC001259412582 1316239375 /nfs/dbraw/zinc/23/93/75/1316239375.db2.gz DGIYUGIKIMZNAA-UHFFFAOYSA-N -1 0 333.300 2.746 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259411834 1316239381 /nfs/dbraw/zinc/23/93/81/1316239381.db2.gz GAQXWTXBPSAECQ-UHFFFAOYSA-N -1 0 346.387 2.926 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nsc3ncccc23)ccc1F ZINC001259412784 1316239420 /nfs/dbraw/zinc/23/94/20/1316239420.db2.gz SEOPUCCYGORQPP-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1OC ZINC001259412045 1316239426 /nfs/dbraw/zinc/23/94/26/1316239426.db2.gz MJKCQTMDCXTQSQ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259413268 1316239677 /nfs/dbraw/zinc/23/96/77/1316239677.db2.gz ZPZGVXOCDCVXLC-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)ccc1F ZINC001259413656 1316239817 /nfs/dbraw/zinc/23/98/17/1316239817.db2.gz UJLIBCVZVUZDGM-UHFFFAOYSA-N -1 0 327.287 2.831 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)ccc1F ZINC001259413239 1316239834 /nfs/dbraw/zinc/23/98/34/1316239834.db2.gz YGJQGAXHGWYOPM-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)ccc1F ZINC001259419454 1316240181 /nfs/dbraw/zinc/24/01/81/1316240181.db2.gz ZWMZNKJARYOURH-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259425576 1316241581 /nfs/dbraw/zinc/24/15/81/1316241581.db2.gz UXMHMXCDGFWZDN-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1F ZINC001259474686 1316248267 /nfs/dbraw/zinc/24/82/67/1316248267.db2.gz JSNJJOZHYJZQKQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259495169 1316251368 /nfs/dbraw/zinc/25/13/68/1316251368.db2.gz FJJMNELOOCQGFP-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001259506919 1316253390 /nfs/dbraw/zinc/25/33/90/1316253390.db2.gz QRZUBBFJWUEMLX-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC001259524427 1316256445 /nfs/dbraw/zinc/25/64/45/1316256445.db2.gz QTNBUTSNWHABQI-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(C#N)c1 ZINC001259759372 1316273519 /nfs/dbraw/zinc/27/35/19/1316273519.db2.gz AVKZXIYIKVCGTI-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259781666 1316277760 /nfs/dbraw/zinc/27/77/60/1316277760.db2.gz PCZWYZRITXEJJK-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259785960 1316278248 /nfs/dbraw/zinc/27/82/48/1316278248.db2.gz VFMYWJWBWTVRGP-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)C2CCCCC2)c1C#N ZINC001259809146 1316282013 /nfs/dbraw/zinc/28/20/13/1316282013.db2.gz GZMMSUHTHMWBNI-UHFFFAOYSA-N -1 0 340.401 2.711 20 30 EFEDRM CN1CCc2c(C#N)c([N-]S(=O)(=O)C3CCCCC3)sc2C1 ZINC001259808662 1316282118 /nfs/dbraw/zinc/28/21/18/1316282118.db2.gz WLDVGYIJODYUTO-UHFFFAOYSA-N -1 0 339.486 2.682 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)C2CCCCC2)c(C#N)c1C ZINC001259808778 1316282349 /nfs/dbraw/zinc/28/23/49/1316282349.db2.gz DUVYDUNYJQOPKW-UHFFFAOYSA-N -1 0 342.442 2.789 20 30 EFEDRM N#Cc1cc(-c2ccccc2)oc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259908187 1316296647 /nfs/dbraw/zinc/29/66/47/1316296647.db2.gz ANALNDVBUZKOGX-UHFFFAOYSA-N -1 0 332.381 2.739 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(C#N)cc3)cc2)n1 ZINC001259937212 1316299869 /nfs/dbraw/zinc/29/98/69/1316299869.db2.gz UKDITMOFCCZJQE-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)c1 ZINC001259988823 1316304096 /nfs/dbraw/zinc/30/40/96/1316304096.db2.gz CFJJJDIYLZTSES-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259990356 1316304223 /nfs/dbraw/zinc/30/42/23/1316304223.db2.gz PYJSDWLWMIPJGU-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1C#N ZINC001260004172 1316304942 /nfs/dbraw/zinc/30/49/42/1316304942.db2.gz VBZOJBNJRPOQSJ-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1C#N ZINC001260010711 1316306110 /nfs/dbraw/zinc/30/61/10/1316306110.db2.gz KCEWEJMJZAFKRW-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C ZINC001260015825 1316307074 /nfs/dbraw/zinc/30/70/74/1316307074.db2.gz BWGMQRNWMDXVLE-UHFFFAOYSA-N -1 0 332.429 2.760 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc3ccccc3oc2=O)cc1 ZINC001260038690 1316310031 /nfs/dbraw/zinc/31/00/31/1316310031.db2.gz SFJYCEMABFIGAD-UHFFFAOYSA-N -1 0 340.360 2.607 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260044973 1316311136 /nfs/dbraw/zinc/31/11/36/1316311136.db2.gz UAWPYKKCOGVIJF-UHFFFAOYSA-N -1 0 344.392 2.711 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccc1 ZINC001260062364 1316311908 /nfs/dbraw/zinc/31/19/08/1316311908.db2.gz FAFPNDPTJGIYAU-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c2ccccc12 ZINC001260104724 1316316245 /nfs/dbraw/zinc/31/62/45/1316316245.db2.gz HDBDXLRNYRPDKU-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001260111404 1316316553 /nfs/dbraw/zinc/31/65/53/1316316553.db2.gz YPMJWSRMDUXCGG-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1C#N ZINC001260111656 1316317002 /nfs/dbraw/zinc/31/70/02/1316317002.db2.gz NBOFIYJPHAKZHS-UHFFFAOYSA-N -1 0 342.783 2.502 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C#N ZINC001260229265 1316324538 /nfs/dbraw/zinc/32/45/38/1316324538.db2.gz YVFYBIBTHKDDPO-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C[C@H](C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001260228443 1316324842 /nfs/dbraw/zinc/32/48/42/1316324842.db2.gz YVVZQZMGMXPVKT-LLVKDONJSA-N -1 0 330.365 2.813 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001260231756 1316325057 /nfs/dbraw/zinc/32/50/57/1316325057.db2.gz YOLLDMDZUAOFFC-MRXNPFEDSA-N -1 0 344.392 2.686 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1 ZINC001260233463 1316325350 /nfs/dbraw/zinc/32/53/50/1316325350.db2.gz SIAFEPIIHFMXJV-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260278117 1316327973 /nfs/dbraw/zinc/32/79/73/1316327973.db2.gz OINRBKGUQXUIHV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001260292085 1316329520 /nfs/dbraw/zinc/32/95/20/1316329520.db2.gz JTAIITHEMFGJBL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC001260297820 1316330205 /nfs/dbraw/zinc/33/02/05/1316330205.db2.gz BFBCWLHWPUBBML-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1 ZINC001260297951 1316330304 /nfs/dbraw/zinc/33/03/04/1316330304.db2.gz IWQDHUCGGSYLMD-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC001260348426 1316332920 /nfs/dbraw/zinc/33/29/20/1316332920.db2.gz NXFRIGLYEHXDSI-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260348048 1316333136 /nfs/dbraw/zinc/33/31/36/1316333136.db2.gz NOLODOUASCSIHC-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260353433 1316333414 /nfs/dbraw/zinc/33/34/14/1316333414.db2.gz URMAPTMIXMFQQQ-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C#N)c1 ZINC001260354569 1316333865 /nfs/dbraw/zinc/33/38/65/1316333865.db2.gz QFOACZYCIGSZCY-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1C#N ZINC001260389099 1316336917 /nfs/dbraw/zinc/33/69/17/1316336917.db2.gz RYMJXOASULUYJV-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC001260440666 1316338287 /nfs/dbraw/zinc/33/82/87/1316338287.db2.gz COISGABINXQBFC-SNVBAGLBSA-N -1 0 328.353 2.651 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cccc3nonc32)c(C#N)c1C ZINC001260435744 1316338315 /nfs/dbraw/zinc/33/83/15/1316338315.db2.gz QQKFYCJBEQJREB-UHFFFAOYSA-N -1 0 334.382 2.574 20 30 EFEDRM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC001260440665 1316338524 /nfs/dbraw/zinc/33/85/24/1316338524.db2.gz COISGABINXQBFC-JTQLQIEISA-N -1 0 328.353 2.651 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C#N ZINC001260446036 1316339243 /nfs/dbraw/zinc/33/92/43/1316339243.db2.gz CLWVWSCFFIJQEW-UHFFFAOYSA-N -1 0 346.389 2.835 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC001260446050 1316339331 /nfs/dbraw/zinc/33/93/31/1316339331.db2.gz DFGWUOMYQZTONA-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC001260495821 1316342151 /nfs/dbraw/zinc/34/21/51/1316342151.db2.gz SVLJOSKAFFBTLD-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)cn1 ZINC001260527892 1316343407 /nfs/dbraw/zinc/34/34/07/1316343407.db2.gz LKXRKXAXKCUZDX-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)o1 ZINC001260528599 1316343447 /nfs/dbraw/zinc/34/34/47/1316343447.db2.gz PGYFTICASNORAF-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628393 1316350275 /nfs/dbraw/zinc/35/02/75/1316350275.db2.gz UDUDCTOKRHWVGR-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628128 1316350468 /nfs/dbraw/zinc/35/04/68/1316350468.db2.gz HBNCJUVGCSPYDQ-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1C ZINC001260651155 1316354659 /nfs/dbraw/zinc/35/46/59/1316354659.db2.gz RLOHQJHDZZWPJU-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)ccc1F ZINC001260756173 1316364794 /nfs/dbraw/zinc/36/47/94/1316364794.db2.gz NJPALZWNSPYQLT-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1 ZINC001260771776 1316367247 /nfs/dbraw/zinc/36/72/47/1316367247.db2.gz YCMAIGIVZDPPCZ-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1OC ZINC001260771805 1316367385 /nfs/dbraw/zinc/36/73/85/1316367385.db2.gz ZRCFZTLJCGRBLN-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1O ZINC001260772232 1316367494 /nfs/dbraw/zinc/36/74/94/1316367494.db2.gz STVYVIMIMVAPOG-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC001260809735 1316370470 /nfs/dbraw/zinc/37/04/70/1316370470.db2.gz ACMHMTZRKPOENM-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c1 ZINC001260846114 1316373681 /nfs/dbraw/zinc/37/36/81/1316373681.db2.gz BGJRZPUVNCBTAM-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260875234 1316374650 /nfs/dbraw/zinc/37/46/50/1316374650.db2.gz PPBCCOPJLNLGLD-GFCCVEGCSA-N -1 0 335.212 2.623 20 30 EFEDRM N#Cc1ccc(CNS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)o1 ZINC001260882113 1316375262 /nfs/dbraw/zinc/37/52/62/1316375262.db2.gz ZLYMXPJFEXILLR-UHFFFAOYSA-N -1 0 347.179 2.642 20 30 EFEDRM CC(C)(S)CNS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260880758 1316375318 /nfs/dbraw/zinc/37/53/18/1316375318.db2.gz ZQSVXSTWBBPOSP-UHFFFAOYSA-N -1 0 330.258 2.686 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001260890435 1316375577 /nfs/dbraw/zinc/37/55/77/1316375577.db2.gz LLQMXTZKRUVDOI-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260982506 1316381118 /nfs/dbraw/zinc/38/11/18/1316381118.db2.gz ONFQZIZDBWFTGZ-UHFFFAOYSA-N -1 0 328.393 2.943 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)c1C ZINC001260992582 1316381647 /nfs/dbraw/zinc/38/16/47/1316381647.db2.gz YDWMZVFVOJAUTF-UHFFFAOYSA-N -1 0 326.381 2.551 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1oc(-c2ccccc2)cc1C#N ZINC001261023314 1316385489 /nfs/dbraw/zinc/38/54/89/1316385489.db2.gz AAZBHNSKAGKRAK-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc(CC)c1C#N ZINC001261030642 1316386137 /nfs/dbraw/zinc/38/61/37/1316386137.db2.gz ZKRHTMYQFCKZER-UHFFFAOYSA-N -1 0 332.429 2.824 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261067754 1316387571 /nfs/dbraw/zinc/38/75/71/1316387571.db2.gz NOGXFORGSHBSMW-UHFFFAOYSA-N -1 0 340.773 2.610 20 30 EFEDRM C=CCC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC001261113185 1316391200 /nfs/dbraw/zinc/39/12/00/1316391200.db2.gz PDGTYCGNWIUJMO-CYBMUJFWSA-N -1 0 344.333 2.810 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc2nc(CC)c(CC)nc2c1)C(=O)[O-] ZINC001262177073 1316450841 /nfs/dbraw/zinc/45/08/41/1316450841.db2.gz JXQGOYLYHMPQRA-OAHLLOKOSA-N -1 0 327.384 2.514 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCCCC1 ZINC001262983374 1316511924 /nfs/dbraw/zinc/51/19/24/1316511924.db2.gz JZVABCUPQJQEQD-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2nccs2)n1 ZINC001263289415 1316527719 /nfs/dbraw/zinc/52/77/19/1316527719.db2.gz FCTUMSZKRUHKTP-CDAZIORVSA-N -1 0 333.394 2.666 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCCC[C@H](SC)C1 ZINC001263323150 1316530539 /nfs/dbraw/zinc/53/05/39/1316530539.db2.gz HSSPZMAWLLXVIN-LBPRGKRZSA-N -1 0 349.460 2.937 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@@H](CC)C1 ZINC001263323327 1316530582 /nfs/dbraw/zinc/53/05/82/1316530582.db2.gz MYGSVKLCVIVJNR-NSHDSACASA-N -1 0 335.433 2.547 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@H](CC)C1 ZINC001263323326 1316530777 /nfs/dbraw/zinc/53/07/77/1316530777.db2.gz MYGSVKLCVIVJNR-LLVKDONJSA-N -1 0 335.433 2.547 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001263344742 1316535099 /nfs/dbraw/zinc/53/50/99/1316535099.db2.gz PAEWYTQGUHVZMS-OKILXGFUSA-N -1 0 344.463 2.926 20 30 EFEDRM COc1cc(OC)nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC001263485639 1316545454 /nfs/dbraw/zinc/54/54/54/1316545454.db2.gz HXSRBFHVVYEZOW-VIFPVBQESA-N -1 0 346.412 2.738 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318966245 1328752205 /nfs/dbraw/zinc/75/22/05/1328752205.db2.gz RHSREHUBUBLXPN-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1 ZINC001319036862 1328767931 /nfs/dbraw/zinc/76/79/31/1328767931.db2.gz BKQVDVHONXJJFD-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([S@](C)=O)cc1 ZINC001320212878 1329104262 /nfs/dbraw/zinc/10/42/62/1329104262.db2.gz UAHPZZHVTLLHJR-QHCPKHFHSA-N -1 0 332.381 2.577 20 30 EFEDRM Cn1c(C=NOCCC(F)(F)F)c(Br)cc1C(=O)[O-] ZINC001320445371 1329133283 /nfs/dbraw/zinc/13/32/83/1329133283.db2.gz ITFSPVXKBHANRC-UHFFFAOYSA-N -1 0 343.099 2.789 20 30 EFEDRM N#Cc1c(NC(=O)c2ccc3ccc(O)cc3c2[O-])n[nH]c1C1CC1 ZINC001302307220 1324571745 /nfs/dbraw/zinc/57/17/45/1324571745.db2.gz TUUIGIWCLYYKDK-UHFFFAOYSA-N -1 0 334.335 2.975 20 30 EFEDRM Cn1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001320869921 1329312311 /nfs/dbraw/zinc/31/23/11/1329312311.db2.gz SVERHQVXVGTMQT-UHFFFAOYSA-N -1 0 342.380 2.547 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)n[nH]2)o1 ZINC001321016188 1329332241 /nfs/dbraw/zinc/33/22/41/1329332241.db2.gz RDEYZIIDYUZYJF-UHFFFAOYSA-N -1 0 342.380 2.845 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001321111234 1329344555 /nfs/dbraw/zinc/34/45/55/1329344555.db2.gz PZHHMBFMTSLSBE-VHSXEESVSA-N -1 0 325.434 2.830 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)[O-] ZINC001321202875 1329356273 /nfs/dbraw/zinc/35/62/73/1329356273.db2.gz GGYOVQAYGBFZQM-AWEZNQCLSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC001321206301 1329356752 /nfs/dbraw/zinc/35/67/52/1329356752.db2.gz MZKAEKKORJBVAF-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)C(=O)[O-] ZINC001321276448 1329366520 /nfs/dbraw/zinc/36/65/20/1329366520.db2.gz IOBFYKNBHDWSCS-MRXNPFEDSA-N -1 0 348.399 2.643 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001321342182 1329375346 /nfs/dbraw/zinc/37/53/46/1329375346.db2.gz XTUZTTKMCXXGER-AWEZNQCLSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC001321657032 1329401412 /nfs/dbraw/zinc/40/14/12/1329401412.db2.gz AGVSLXSHAVPINL-HNNXBMFYSA-N -1 0 327.384 2.557 20 30 EFEDRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2C#N)C1(C)C ZINC001321707339 1329404333 /nfs/dbraw/zinc/40/43/33/1329404333.db2.gz ZPKJLSPADPDKBW-ZFWWWQNUSA-N -1 0 332.425 2.602 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC001322599726 1329471062 /nfs/dbraw/zinc/47/10/62/1329471062.db2.gz JQNYXBLZRXBCNO-CYBMUJFWSA-N -1 0 344.392 2.760 20 30 EFEDRM C=CC[C@@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC001322603219 1329471408 /nfs/dbraw/zinc/47/14/08/1329471408.db2.gz YFYHBPXOALFMOK-CYBMUJFWSA-N -1 0 330.409 2.801 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001324648427 1329648393 /nfs/dbraw/zinc/64/83/93/1329648393.db2.gz JPBKXTDYUZAKPS-UHFFFAOYSA-N -1 0 344.314 2.846 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC001325065838 1329668662 /nfs/dbraw/zinc/66/86/62/1329668662.db2.gz OQRPRDDZWZSKFG-OAHLLOKOSA-N -1 0 334.416 2.830 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCCOc1ccc(Cl)cc1)C(=O)[O-] ZINC001325066016 1329668917 /nfs/dbraw/zinc/66/89/17/1329668917.db2.gz QMDGHKPACSLLSU-AWEZNQCLSA-N -1 0 340.807 2.828 20 30 EFEDRM Cn1c(C(=O)[O-])cc(Br)c1C=NNCC1CCCC1 ZINC001325254098 1329676712 /nfs/dbraw/zinc/67/67/12/1329676712.db2.gz LASAWQQBNFYORQ-UHFFFAOYSA-N -1 0 328.210 2.600 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1cccc(Cl)c1 ZINC001329963343 1330756693 /nfs/dbraw/zinc/75/66/93/1330756693.db2.gz ALBAFKVJPCKGFE-AWEZNQCLSA-N -1 0 342.848 2.973 20 30 EFEDRM Cn1c(C=NNc2cccc(C#N)c2)c(Br)cc1C(=O)[O-] ZINC001329976224 1330757976 /nfs/dbraw/zinc/75/79/76/1330757976.db2.gz LIFCPGKFPGKDQD-UHFFFAOYSA-N -1 0 347.172 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc(F)cc2F)CC1 ZINC001330000222 1330760516 /nfs/dbraw/zinc/76/05/16/1330760516.db2.gz QDRJAVMVOIJPRX-SNVBAGLBSA-N -1 0 329.368 2.623 20 30 EFEDRM C#CCSCC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001331288955 1330816662 /nfs/dbraw/zinc/81/66/62/1330816662.db2.gz KEYCAMGHBWJPGI-UHFFFAOYSA-N -1 0 335.454 2.502 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-] ZINC001332474753 1330976153 /nfs/dbraw/zinc/97/61/53/1330976153.db2.gz XIKMTTQYYGKUFP-QWHCGFSZSA-N -1 0 336.363 2.756 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC001332586706 1330987671 /nfs/dbraw/zinc/98/76/71/1330987671.db2.gz CFZSRSNUFDHQTO-UHFFFAOYSA-N -1 0 325.430 2.801 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001333659612 1331189109 /nfs/dbraw/zinc/18/91/09/1331189109.db2.gz MYYZLNLVXILCNI-NKWVEPMBSA-N -1 0 337.323 2.551 20 30 EFEDRM C[C@H](Oc1cccc(C=NN[C@@H]2CC(C)(C)OC2(C)C)c1)C(=O)[O-] ZINC001333669108 1331191297 /nfs/dbraw/zinc/19/12/97/1331191297.db2.gz AUACNNZXRPRXRO-SWLSCSKDSA-N -1 0 334.416 2.808 20 30 EFEDRM C[C@@H](Oc1cccc(C=NN[C@@H]2CC(C)(C)OC2(C)C)c1)C(=O)[O-] ZINC001333669107 1331191461 /nfs/dbraw/zinc/19/14/61/1331191461.db2.gz AUACNNZXRPRXRO-IUODEOHRSA-N -1 0 334.416 2.808 20 30 EFEDRM C[C@@H](Oc1ccc(C=NN[C@@H]2CC(C)(C)OC2(C)C)cc1)C(=O)[O-] ZINC001337007441 1331526401 /nfs/dbraw/zinc/52/64/01/1331526401.db2.gz NAYDGBNWAGQDPC-IUODEOHRSA-N -1 0 334.416 2.808 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001338885821 1331752754 /nfs/dbraw/zinc/75/27/54/1331752754.db2.gz UYIFJPUFNRZHSV-OUCADQQQSA-N -1 0 329.404 2.840 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001338885824 1331752918 /nfs/dbraw/zinc/75/29/18/1331752918.db2.gz UYIFJPUFNRZHSV-SCRDCRAPSA-N -1 0 329.404 2.840 20 30 EFEDRM C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CCC(C)(C(C)C)CC1 ZINC001338963793 1331762269 /nfs/dbraw/zinc/76/22/69/1331762269.db2.gz QJBVZZGJRADONM-UHFFFAOYSA-N -1 0 342.447 2.889 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@@H](CF)C1 ZINC001339037650 1331775421 /nfs/dbraw/zinc/77/54/21/1331775421.db2.gz SODJQXAEWQAUQB-NSHDSACASA-N -1 0 347.350 2.541 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CCC)CCC ZINC001339157058 1331805278 /nfs/dbraw/zinc/80/52/78/1331805278.db2.gz CRBJOYRXLJLZKR-UHFFFAOYSA-N -1 0 326.404 2.730 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)CCC(C)(C)C ZINC001339482421 1331878133 /nfs/dbraw/zinc/87/81/33/1331878133.db2.gz AMFACHKZTIGZRE-UHFFFAOYSA-N -1 0 332.452 2.926 20 30 EFEDRM C=CC[C@H](NC(=O)NCC1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC001339748623 1331949548 /nfs/dbraw/zinc/94/95/48/1331949548.db2.gz ZZGFZMXKNPNOOI-INIZCTEOSA-N -1 0 346.427 2.836 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(C)=C(C)C1 ZINC001339813528 1332103769 /nfs/dbraw/zinc/10/37/69/1332103769.db2.gz BWBFUTFJXILEGU-UHFFFAOYSA-N -1 0 336.399 2.650 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001339814753 1332104419 /nfs/dbraw/zinc/10/44/19/1332104419.db2.gz MIXVVZGTWKXJJU-YNEHKIRRSA-N -1 0 338.415 2.584 20 30 EFEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]n(CC)c2=O)n1CC ZINC001339831615 1332105922 /nfs/dbraw/zinc/10/59/22/1332105922.db2.gz NKUAAFKSLOWTGY-CYBMUJFWSA-N -1 0 330.436 2.822 20 30 EFEDRM COc1cc(CN(C)Cc2nc(=O)c3sccc3[n-]2)ccc1C#N ZINC001339891564 1332109530 /nfs/dbraw/zinc/10/95/30/1332109530.db2.gz CXNKKMAMSNBJRS-UHFFFAOYSA-N -1 0 340.408 2.909 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C[C@H]1CC1(C)C ZINC001340206733 1332154083 /nfs/dbraw/zinc/15/40/83/1332154083.db2.gz AIVHRLPMQOKBDB-GFCCVEGCSA-N -1 0 330.436 2.535 20 30 EFEDRM C=CC1CCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2CC)CC1 ZINC001341195585 1332241808 /nfs/dbraw/zinc/24/18/08/1332241808.db2.gz HVACEXHIAAVHBH-UHFFFAOYSA-N -1 0 343.387 2.981 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nn1C(C)C ZINC001341821779 1332286268 /nfs/dbraw/zinc/28/62/68/1332286268.db2.gz WLYCNCHHTHIZRB-CYBMUJFWSA-N -1 0 334.383 2.788 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001342027299 1332296667 /nfs/dbraw/zinc/29/66/67/1332296667.db2.gz XJJQYWMCOZCQBB-AWEZNQCLSA-N -1 0 342.447 2.680 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1 ZINC001343348594 1332346610 /nfs/dbraw/zinc/34/66/10/1332346610.db2.gz RVANRYBXTKAVGO-NSHDSACASA-N -1 0 340.221 2.796 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccsc1C(F)F ZINC001343473082 1332348866 /nfs/dbraw/zinc/34/88/66/1332348866.db2.gz FYZYSZKUQVDMDQ-NSHDSACASA-N -1 0 344.383 2.939 20 30 EFEDRM C[C@@H](Sc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC001343618313 1332363377 /nfs/dbraw/zinc/36/33/77/1332363377.db2.gz PMWVVIPDIGTFKS-MFKMUULPSA-N -1 0 331.372 2.632 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(Cl)n1 ZINC001343696937 1332370639 /nfs/dbraw/zinc/37/06/39/1332370639.db2.gz DTSUBUHEPSGQGE-NSHDSACASA-N -1 0 345.790 2.552 20 30 EFEDRM C=CC[C@H](NCc1cccc(Br)c1[O-])C(=O)OCC ZINC001343731614 1332374178 /nfs/dbraw/zinc/37/41/78/1332374178.db2.gz FFUXYJXWSXXYDC-LBPRGKRZSA-N -1 0 328.206 2.752 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC2(CCC2)C1 ZINC001343786135 1332380189 /nfs/dbraw/zinc/38/01/89/1332380189.db2.gz BBRCGUWFDQGIPF-UHFFFAOYSA-N -1 0 342.447 2.824 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)on1 ZINC001343982112 1332395229 /nfs/dbraw/zinc/39/52/29/1332395229.db2.gz DYBWAGVVUHTNNS-LLVKDONJSA-N -1 0 329.743 2.620 20 30 EFEDRM Cc1nn(C)c(Br)c1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344035802 1332398963 /nfs/dbraw/zinc/39/89/63/1332398963.db2.gz PALLZRXHHVCYIE-MRVPVSSYSA-N -1 0 337.152 2.515 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(CC)cc2)n1 ZINC001344539295 1332461952 /nfs/dbraw/zinc/46/19/52/1332461952.db2.gz DFHMHRYURJFZFY-CQSZACIVSA-N -1 0 339.420 2.997 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC001344551766 1332462946 /nfs/dbraw/zinc/46/29/46/1332462946.db2.gz FYXNOSXNYLYFDX-MRXNPFEDSA-N -1 0 338.363 2.698 20 30 EFEDRM CC[C@@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001344572928 1332463837 /nfs/dbraw/zinc/46/38/37/1332463837.db2.gz ZBGSZVFQDVRGAB-ZBFHGGJFSA-N -1 0 338.411 2.801 20 30 EFEDRM Cc1ccn(-c2cccc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)n1 ZINC001344568894 1332463847 /nfs/dbraw/zinc/46/38/47/1332463847.db2.gz KFCOFRUTUQAFHK-QGZVFWFLSA-N -1 0 336.395 2.562 20 30 EFEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001344622923 1332467750 /nfs/dbraw/zinc/46/77/50/1332467750.db2.gz UEZJIFHGRBFRNJ-AWEZNQCLSA-N -1 0 346.383 2.893 20 30 EFEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC001344849754 1332487630 /nfs/dbraw/zinc/48/76/30/1332487630.db2.gz BSUDUKAQZSECSC-WCQYABFASA-N -1 0 331.379 2.968 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1C(C)C ZINC001346054872 1332595288 /nfs/dbraw/zinc/59/52/88/1332595288.db2.gz SDLOYWKWMGDYNT-CYBMUJFWSA-N -1 0 334.383 2.788 20 30 EFEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)ccc21 ZINC001346065734 1332596191 /nfs/dbraw/zinc/59/61/91/1332596191.db2.gz WVOMRXXYFSECCK-ZDUSSCGKSA-N -1 0 342.362 2.589 20 30 EFEDRM C=CCN(c1nnc(-c2c[n-]n(CC)c2=O)n1CC(=C)C)C1CC1 ZINC001346671752 1332671178 /nfs/dbraw/zinc/67/11/78/1332671178.db2.gz ZPWVNFJLXROURE-UHFFFAOYSA-N -1 0 328.420 2.598 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001347363149 1332738024 /nfs/dbraw/zinc/73/80/24/1332738024.db2.gz WWPSWAJKCVJZDT-UHFFFAOYSA-N -1 0 346.408 2.548 20 30 EFEDRM CSc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC001347587051 1332758412 /nfs/dbraw/zinc/75/84/12/1332758412.db2.gz MYDIMOFTTTVSTH-AWEZNQCLSA-N -1 0 327.409 2.666 20 30 EFEDRM C=CC[C@H](NC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001348480491 1332841680 /nfs/dbraw/zinc/84/16/80/1332841680.db2.gz IFYJLPZWMQOOHH-FBOQAHMBSA-N -1 0 329.274 2.744 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC001350744857 1333125359 /nfs/dbraw/zinc/12/53/59/1333125359.db2.gz VOELDQAUJMKGPQ-MRXNPFEDSA-N -1 0 332.400 2.837 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCc2ccccc21 ZINC001351545912 1333247887 /nfs/dbraw/zinc/24/78/87/1333247887.db2.gz YKAHSVIHTFYFIZ-UHFFFAOYSA-N -1 0 336.399 2.747 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001351543898 1333248003 /nfs/dbraw/zinc/24/80/03/1333248003.db2.gz JUIFSFDFJSZCLA-ZDUSSCGKSA-N -1 0 344.463 2.926 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001352013326 1333352232 /nfs/dbraw/zinc/35/22/32/1333352232.db2.gz LLORVUPSNCLIFN-IUODEOHRSA-N -1 0 338.415 2.728 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001352326205 1333471181 /nfs/dbraw/zinc/47/11/81/1333471181.db2.gz FNVYVVOGLDTRTN-LBPRGKRZSA-N -1 0 348.362 2.719 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 ZINC000847534716 1333859293 /nfs/dbraw/zinc/85/92/93/1333859293.db2.gz VJEKNJQQDHEEAS-GFCCVEGCSA-N -1 0 338.379 2.811 20 30 EFEDRM Cn1ccnc1[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F ZINC000847615464 1334002155 /nfs/dbraw/zinc/00/21/55/1334002155.db2.gz DKRNUWLOQVOIOK-JTQLQIEISA-N -1 0 338.289 2.672 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847622357 1334016306 /nfs/dbraw/zinc/01/63/06/1334016306.db2.gz IPHYVTXTSZYIQT-LLVKDONJSA-N -1 0 336.413 2.538 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000847643423 1334059675 /nfs/dbraw/zinc/05/96/75/1334059675.db2.gz AKSCXSJEZQWTSB-KGLIPLIRSA-N -1 0 336.457 2.619 20 30 EFEDRM COc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2F)ccc1F ZINC001200510406 1334118788 /nfs/dbraw/zinc/11/87/88/1334118788.db2.gz ZJZJWHKSRAOSFV-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC001200810491 1334578091 /nfs/dbraw/zinc/57/80/91/1334578091.db2.gz GUWZBZRCFAJUQG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@H]1C(N=Nc2ncc(Br)cn2)CC[C@H]1CC(=O)[O-] ZINC000848419887 1334714444 /nfs/dbraw/zinc/71/44/44/1334714444.db2.gz IEQJJISPISDVNI-SFYZADRCSA-N -1 0 327.182 2.528 20 30 EFEDRM CC(C)COC(=O)N1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000848414687 1334712393 /nfs/dbraw/zinc/71/23/93/1334712393.db2.gz QMARDGWUNCHBNF-UHFFFAOYSA-N -1 0 347.415 2.970 20 30 EFEDRM C[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](n2cncn2)C1 ZINC000848414904 1334712624 /nfs/dbraw/zinc/71/26/24/1334712624.db2.gz TUHHYQHTNVQQJP-WBMJQRKESA-N -1 0 327.388 2.734 20 30 EFEDRM C[C@@H]1CC(N=Nc2ncc(Br)cn2)CC[C@H]1C(=O)[O-] ZINC000848420138 1334714626 /nfs/dbraw/zinc/71/46/26/1334714626.db2.gz QNBQMGOUYWHGAE-GMSGAONNSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCCCCC1 ZINC001355888439 1334899043 /nfs/dbraw/zinc/89/90/43/1334899043.db2.gz NSNXMFPMJYNABR-UHFFFAOYSA-N -1 0 330.436 2.824 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C1CC(C)(C)C1 ZINC001356115920 1334960894 /nfs/dbraw/zinc/96/08/94/1334960894.db2.gz LICCTLJOJSECQJ-UHFFFAOYSA-N -1 0 338.415 2.728 20 30 EFEDRM N#CCN(C(=O)COC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000848949919 1335004897 /nfs/dbraw/zinc/00/48/97/1335004897.db2.gz IILVCTFOAYHZKH-UHFFFAOYSA-N -1 0 344.754 2.759 20 30 EFEDRM CCc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC001356264796 1335004962 /nfs/dbraw/zinc/00/49/62/1335004962.db2.gz GGQPMMNXBNYMRQ-CYBMUJFWSA-N -1 0 335.201 2.613 20 30 EFEDRM N#Cc1cccc(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000848950043 1335005094 /nfs/dbraw/zinc/00/50/94/1335005094.db2.gz CYDZWICZVJNBFI-UHFFFAOYSA-N -1 0 330.727 2.713 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001356276137 1335008367 /nfs/dbraw/zinc/00/83/67/1335008367.db2.gz QMZRCXPBWUGPFG-CHWSQXEVSA-N -1 0 338.415 2.586 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2ccc(C)n2)c1 ZINC001357569325 1335316819 /nfs/dbraw/zinc/31/68/19/1335316819.db2.gz ZPULNWFMMKMWNL-QGZVFWFLSA-N -1 0 338.411 2.810 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000849245175 1335576190 /nfs/dbraw/zinc/57/61/90/1335576190.db2.gz FYQBWXIHVHJNQY-ABZNLYFFSA-N -1 0 326.352 2.577 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CF)cc2)n1 ZINC000849861746 1335783087 /nfs/dbraw/zinc/78/30/87/1335783087.db2.gz NWEBUPPVZHSKJG-ZDUSSCGKSA-N -1 0 332.356 2.954 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC001361318017 1335984970 /nfs/dbraw/zinc/98/49/70/1335984970.db2.gz CDLFVNYILKCMFM-QGZVFWFLSA-N -1 0 342.424 2.829 20 30 EFEDRM COc1ccc(N(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC001361552673 1336174309 /nfs/dbraw/zinc/17/43/09/1336174309.db2.gz GYUGKSGVKMAXGZ-UHFFFAOYSA-N -1 0 329.381 2.666 20 30 EFEDRM N#Cc1cc(NC(=O)c2ncc(Br)cc2[O-])ccc1F ZINC001362016013 1336465214 /nfs/dbraw/zinc/46/52/14/1336465214.db2.gz DQCCIMXCMHHMFD-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001362060302 1336484489 /nfs/dbraw/zinc/48/44/89/1336484489.db2.gz SJOHSXAXSIBCHL-LBPRGKRZSA-N -1 0 330.363 2.647 20 30 EFEDRM CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)c1ccc(C#N)c(O)c1 ZINC001363548394 1336925848 /nfs/dbraw/zinc/92/58/48/1336925848.db2.gz SSZFQBYZXVLCSX-UHFFFAOYSA-N -1 0 347.415 2.687 20 30 EFEDRM N#Cc1nc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)[n-]c1C#N ZINC001363639331 1336967178 /nfs/dbraw/zinc/96/71/78/1336967178.db2.gz CQJVXDXAMCVTDW-UHFFFAOYSA-N -1 0 341.321 2.882 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(OC(F)F)c(Cl)c2)[n-]c1C#N ZINC001363641027 1336968823 /nfs/dbraw/zinc/96/88/23/1336968823.db2.gz IXGTZXZHPWRXHP-UHFFFAOYSA-N -1 0 337.673 2.660 20 30 EFEDRM N#Cc1nc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)[n-]c1C#N ZINC001363645835 1336970741 /nfs/dbraw/zinc/97/07/41/1336970741.db2.gz SQMWJTIMKCXAIX-UHFFFAOYSA-N -1 0 325.759 2.768 20 30 EFEDRM CC(C)C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)cc1 ZINC001363734790 1337017941 /nfs/dbraw/zinc/01/79/41/1337017941.db2.gz MVTLDYRBDPOSIE-AWEZNQCLSA-N -1 0 346.818 2.798 20 30 EFEDRM N#Cc1cccnc1N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001364209605 1337181531 /nfs/dbraw/zinc/18/15/31/1337181531.db2.gz GAOMPCWRLGAXGD-ZDUSSCGKSA-N -1 0 346.312 2.695 20 30 EFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ncc(C#N)cc1Cl ZINC001365231004 1337216617 /nfs/dbraw/zinc/21/66/17/1337216617.db2.gz FNNFHGWVIGOKNN-KWQFWETISA-N -1 0 346.740 2.642 20 30 EFEDRM COc1c(F)cc(NC(=O)c2ccc(C#N)c([O-])c2)c(OC)c1F ZINC001434008937 1387055793 /nfs/dbraw/zinc/05/57/93/1387055793.db2.gz GCUOTINPSQGHFJ-UHFFFAOYSA-N -1 0 334.278 2.812 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@]3(CCSC3)C2)cc1C#N ZINC001451371074 1392826095 /nfs/dbraw/zinc/82/60/95/1392826095.db2.gz LEHUMLXXTRLAEK-INIZCTEOSA-N -1 0 349.481 2.740 20 30 EFEDRM COc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1C#N ZINC001454985552 1394497370 /nfs/dbraw/zinc/49/73/70/1394497370.db2.gz GZUVKYXLDFFLMS-UHFFFAOYSA-N -1 0 346.346 2.773 20 30 EFEDRM COc1ncc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc1C#N ZINC001455612014 1394628365 /nfs/dbraw/zinc/62/83/65/1394628365.db2.gz WZXDHLZGZQKENP-UHFFFAOYSA-N -1 0 335.319 2.779 20 30 EFEDRM Cc1ccccc1Oc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nc1 ZINC001469568179 1397039509 /nfs/dbraw/zinc/03/95/09/1397039509.db2.gz XFSUHNGNBXBYLB-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cn1 ZINC000820187500 1426051934 /nfs/dbraw/zinc/05/19/34/1426051934.db2.gz DPPFWAFBQBEDTQ-UHFFFAOYSA-N -1 0 333.355 2.509 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450862 1426629164 /nfs/dbraw/zinc/62/91/64/1426629164.db2.gz HBELXNQBPHTLNU-UHFFFAOYSA-N -1 0 329.367 2.673 20 30 EFEDRM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000820838283 1428234074 /nfs/dbraw/zinc/23/40/74/1428234074.db2.gz RKZRQWPIJGHPBU-UHFFFAOYSA-N -1 0 346.350 2.583 20 30 EFEDRM C(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000819718413 1428249007 /nfs/dbraw/zinc/24/90/07/1428249007.db2.gz GAQQYTDYJYNKHE-UHFFFAOYSA-N -1 0 335.396 2.600 20 30 EFEDRM Fc1cc2c(c(F)c1)CCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826372890 1428250500 /nfs/dbraw/zinc/25/05/00/1428250500.db2.gz PWNIDQWIJUEPML-UHFFFAOYSA-N -1 0 340.337 2.585 20 30 EFEDRM N#Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737717139 1428760100 /nfs/dbraw/zinc/76/01/00/1428760100.db2.gz ZQTRXLXHCAWPBS-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447641 1414455703 /nfs/dbraw/zinc/45/57/03/1414455703.db2.gz VBDGTNMAUQRKTN-BBRMVZONSA-N -1 0 328.372 2.684 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@@H]2c2nccn2C)cccc1C(=O)[O-] ZINC001552452198 1414456971 /nfs/dbraw/zinc/45/69/71/1414456971.db2.gz CTGDYWMNPSHKHM-CJNGLKHVSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552453839 1414457634 /nfs/dbraw/zinc/45/76/34/1414457634.db2.gz NAJOUDKKNPCCKQ-RDTXWAMCSA-N -1 0 342.399 2.613 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552454421 1414457643 /nfs/dbraw/zinc/45/76/43/1414457643.db2.gz OHNQGYTWLATMJM-PBHICJAKSA-N -1 0 342.399 2.613 20 30 EFEDRM CC(C)CSCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000824274988 1428836091 /nfs/dbraw/zinc/83/60/91/1428836091.db2.gz PEQNCHYHWBTNFF-UHFFFAOYSA-N -1 0 349.489 2.587 20 30 EFEDRM Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2Br)cc1C#N ZINC000826317232 1428842257 /nfs/dbraw/zinc/84/22/57/1428842257.db2.gz UEEJCZHXCCUVLB-UHFFFAOYSA-N -1 0 343.188 2.659 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822016273 1428852916 /nfs/dbraw/zinc/85/29/16/1428852916.db2.gz WRQCCAMCYLMGRK-JXMROGBWSA-N -1 0 335.323 2.979 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccnc2Nc2ccccc2F)[n-]c1C#N ZINC001557254390 1415115327 /nfs/dbraw/zinc/11/53/27/1415115327.db2.gz BCGWHLKKZDPIAE-UHFFFAOYSA-N -1 0 347.313 2.683 20 30 EFEDRM CCCCCCCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825271387 1428888263 /nfs/dbraw/zinc/88/82/63/1428888263.db2.gz IOAKDSBQVLIRNT-UHFFFAOYSA-N -1 0 330.388 2.953 20 30 EFEDRM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(F)c1 ZINC000735551742 1428912191 /nfs/dbraw/zinc/91/21/91/1428912191.db2.gz SXCWSMXPGIGPTO-JTQLQIEISA-N -1 0 336.330 2.620 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821589569 1428938963 /nfs/dbraw/zinc/93/89/63/1428938963.db2.gz UCJVCIYGQDDPNC-JXMROGBWSA-N -1 0 337.358 2.968 20 30 EFEDRM C=CCOc1ccccc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000735436570 1429163620 /nfs/dbraw/zinc/16/36/20/1429163620.db2.gz NPTNIFWPQVUGQC-UHFFFAOYSA-N -1 0 339.374 2.860 20 30 EFEDRM FC(F)(F)c1cc(N=NCC[C@@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC000826368676 1429238540 /nfs/dbraw/zinc/23/85/40/1429238540.db2.gz YMUNTXVUVINRJP-SECBINFHSA-N -1 0 340.309 2.710 20 30 EFEDRM C#CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823837982 1429240460 /nfs/dbraw/zinc/24/04/60/1429240460.db2.gz JZPMEFWSVULHOW-HWOXTHGCSA-N -1 0 343.390 2.761 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737373267 1429293717 /nfs/dbraw/zinc/29/37/17/1429293717.db2.gz RUKBEQKTSRXHKT-VURMDHGXSA-N -1 0 335.323 2.979 20 30 EFEDRM Oc1ccc(Cl)cc1C=NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823732989 1429452380 /nfs/dbraw/zinc/45/23/80/1429452380.db2.gz RDKQRTLRVUHVHI-LSCVHKIXSA-N -1 0 331.738 2.984 20 30 EFEDRM Cc1[nH]c2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822010103 1429456988 /nfs/dbraw/zinc/45/69/88/1429456988.db2.gz NMSHQKBVTRCPCJ-UHFFFAOYSA-N -1 0 331.383 2.780 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000169273914 1422773992 /nfs/dbraw/zinc/77/39/92/1422773992.db2.gz XVNDREUSWSQPLO-NSHDSACASA-N -1 0 343.177 2.609 20 30 EFEDRM CCCn1cccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825363397 1429614945 /nfs/dbraw/zinc/61/49/45/1429614945.db2.gz ZYTUJHMLQXPARE-UHFFFAOYSA-N -1 0 330.783 2.573 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826256999 1423312324 /nfs/dbraw/zinc/31/23/24/1423312324.db2.gz JQJHIVJXYXQIRT-CMDGGOBGSA-N -1 0 345.362 2.803 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821566502 1429633626 /nfs/dbraw/zinc/63/36/26/1429633626.db2.gz HJWROXHRWCFEQP-AATRIKPKSA-N -1 0 328.401 2.658 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000822823449 1423506603 /nfs/dbraw/zinc/50/66/03/1423506603.db2.gz QTUXAKSYYCANGK-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CCc1nnc(N[C@@H](C)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1CC ZINC000821529610 1429643720 /nfs/dbraw/zinc/64/37/20/1429643720.db2.gz XVMZZEJNQKDWTA-NSHDSACASA-N -1 0 348.414 2.826 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400561 1423843295 /nfs/dbraw/zinc/84/32/95/1423843295.db2.gz BIHYUFYMQQSCLJ-VURMDHGXSA-N -1 0 339.286 2.810 20 30 EFEDRM C=CCCCCCN(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819739843 1423860202 /nfs/dbraw/zinc/86/02/02/1423860202.db2.gz JEZWAFMTBXYLIF-UHFFFAOYSA-N -1 0 335.358 2.963 20 30 EFEDRM N#Cc1cc(NC(=O)C=Cc2ccccc2F)ccc1-c1nn[n-]n1 ZINC000737705159 1423871800 /nfs/dbraw/zinc/87/18/00/1423871800.db2.gz NFOBCEPNUWTHIZ-YVMONPNESA-N -1 0 334.314 2.529 20 30 EFEDRM C=C1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402583 1429716937 /nfs/dbraw/zinc/71/69/37/1429716937.db2.gz YCHPIQJGCZHVOW-UHFFFAOYSA-N -1 0 341.415 2.594 20 30 EFEDRM C#CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCCC1 ZINC000891472530 1424331279 /nfs/dbraw/zinc/33/12/79/1424331279.db2.gz DJXBFVXIXXLLRO-UHFFFAOYSA-N -1 0 327.363 2.918 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736612586 1424511771 /nfs/dbraw/zinc/51/17/71/1424511771.db2.gz AGNJVCAKNSIWHV-NSHDSACASA-N -1 0 345.407 2.725 20 30 EFEDRM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826166949 1424552360 /nfs/dbraw/zinc/55/23/60/1424552360.db2.gz IXYKTTSMBPUNBU-SOFGYWHQSA-N -1 0 340.314 2.616 20 30 EFEDRM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC2(CCOCC2)CC1 ZINC000823742714 1424933061 /nfs/dbraw/zinc/93/30/61/1424933061.db2.gz KXFXQOXSWDJJQY-UHFFFAOYSA-N -1 0 340.431 2.683 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000826187505 1424958709 /nfs/dbraw/zinc/95/87/09/1424958709.db2.gz SXXIGBQMMQFFBL-YFHOEESVSA-N -1 0 336.351 2.780 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000775538762 1425116990 /nfs/dbraw/zinc/11/69/90/1425116990.db2.gz MPAHUIADMPTMGJ-LSDHHAIUSA-N -1 0 337.468 2.876 20 30 EFEDRM N#CCC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826380869 1425290806 /nfs/dbraw/zinc/29/08/06/1425290806.db2.gz OVGDRNJZCXODDS-UHFFFAOYSA-N -1 0 347.220 2.759 20 30 EFEDRM CCn1nc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1C ZINC000821566529 1425518239 /nfs/dbraw/zinc/51/82/39/1425518239.db2.gz ILBIAGHRKSCCIN-UVTDQMKNSA-N -1 0 348.410 2.912 20 30 EFEDRM C=C(C)CN(C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000823872932 1425667979 /nfs/dbraw/zinc/66/79/79/1425667979.db2.gz FRACARDEBHAZCU-UHFFFAOYSA-N -1 0 326.187 2.822 20 30 EFEDRM C[C@@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000824034649 1425698677 /nfs/dbraw/zinc/69/86/77/1425698677.db2.gz MOWFAIFRRRDQLE-VIFPVBQESA-N -1 0 327.779 2.664 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819729776 1425709134 /nfs/dbraw/zinc/70/91/34/1425709134.db2.gz MPAKVUREBVXAIW-CYBMUJFWSA-N -1 0 349.394 2.750 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000826179094 1425729046 /nfs/dbraw/zinc/72/90/46/1425729046.db2.gz ZDOKUKXKVUWGQI-ARJAWSKDSA-N -1 0 342.380 2.842 20 30 EFEDRM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735446618 1425745029 /nfs/dbraw/zinc/74/50/29/1425745029.db2.gz BXYDOLMNIVZYKE-XFXZXTDPSA-N -1 0 330.351 2.780 20 30 EFEDRM C=CCC(CC=C)C(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734348 1425944399 /nfs/dbraw/zinc/94/43/99/1425944399.db2.gz MOOMBUNJOAYPOA-UHFFFAOYSA-N -1 0 341.415 2.615 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC000822829713 1425962520 /nfs/dbraw/zinc/96/25/20/1425962520.db2.gz FQENVBLWTGKAOH-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM C#Cc1cccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000819709867 1425987726 /nfs/dbraw/zinc/98/77/26/1425987726.db2.gz RYNUUPUEALMFFB-UHFFFAOYSA-N -1 0 343.350 2.510 20 30 EFEDRM C#CCCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000819692743 1426108966 /nfs/dbraw/zinc/10/89/66/1426108966.db2.gz JGKLUGIKFWROJI-UHFFFAOYSA-N -1 0 344.781 2.845 20 30 EFEDRM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1O ZINC000821786968 1426167417 /nfs/dbraw/zinc/16/74/17/1426167417.db2.gz MMNDBGCYPCITHL-JYRVWZFOSA-N -1 0 348.362 2.793 20 30 EFEDRM COCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826165524 1426194296 /nfs/dbraw/zinc/19/42/96/1426194296.db2.gz YUUAFXGZGVXXHC-PLNGDYQASA-N -1 0 345.359 2.505 20 30 EFEDRM Fc1ccc(F)c2c1CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826375275 1426206754 /nfs/dbraw/zinc/20/67/54/1426206754.db2.gz GXMRDJQKWDXIIM-UHFFFAOYSA-N -1 0 326.310 2.907 20 30 EFEDRM Cc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822340946 1426293290 /nfs/dbraw/zinc/29/32/90/1426293290.db2.gz OEVZVXLDLJMUBA-QPEQYQDCSA-N -1 0 336.326 2.973 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc2[n-]c1=S ZINC000179949605 1426313468 /nfs/dbraw/zinc/31/34/68/1426313468.db2.gz BIIAHTMHFDUHLE-PWSUYJOCSA-N -1 0 343.408 2.554 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2[n-]c1=S ZINC000179949590 1426313895 /nfs/dbraw/zinc/31/38/95/1426313895.db2.gz BIIAHTMHFDUHLE-ZYHUDNBSSA-N -1 0 343.408 2.554 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(C2CCC2)s1 ZINC000819718626 1426326608 /nfs/dbraw/zinc/32/66/08/1426326608.db2.gz LOIOMOGSOQXPKA-UHFFFAOYSA-N -1 0 339.428 2.714 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826383847 1426345031 /nfs/dbraw/zinc/34/50/31/1426345031.db2.gz UDVNJUZJJVIKMV-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM CCC1(CC)C(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1OC ZINC000820958181 1426460340 /nfs/dbraw/zinc/46/03/40/1426460340.db2.gz SLRZUGNLGNYWQN-HNNXBMFYSA-N -1 0 328.420 2.537 20 30 EFEDRM CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C[C@@H](C)C#N ZINC000825428432 1426531779 /nfs/dbraw/zinc/53/17/79/1426531779.db2.gz MSOVNDITPJQQSK-JTQLQIEISA-N -1 0 349.236 2.611 20 30 EFEDRM C#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380098 1426569378 /nfs/dbraw/zinc/56/93/78/1426569378.db2.gz CFVYIAUEHHERBW-KPKJPENVSA-N -1 0 345.362 2.531 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000819772767 1426576051 /nfs/dbraw/zinc/57/60/51/1426576051.db2.gz LLZOGIFRRWUIEI-UHFFFAOYSA-N -1 0 349.423 2.990 20 30 EFEDRM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000820456296 1426577426 /nfs/dbraw/zinc/57/74/26/1426577426.db2.gz RPQBMXGJYRXJGR-SNVBAGLBSA-N -1 0 335.327 2.820 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737082564 1426705155 /nfs/dbraw/zinc/70/51/55/1426705155.db2.gz XJNIKLXPCGAKIP-WAPJZHGLSA-N -1 0 331.335 2.643 20 30 EFEDRM C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508849 1426733004 /nfs/dbraw/zinc/73/30/04/1426733004.db2.gz ZBROYVYOYPPDIN-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-n2cccn2)cc1 ZINC000826402561 1426733363 /nfs/dbraw/zinc/73/33/63/1426733363.db2.gz XEOLNISYQRUOMX-FLIBITNWSA-N -1 0 342.362 2.949 20 30 EFEDRM C[C@H](C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034767 1426772925 /nfs/dbraw/zinc/77/29/25/1426772925.db2.gz OSAHRBUKSUHATI-GFCCVEGCSA-N -1 0 349.350 2.975 20 30 EFEDRM O=[N+]([O-])c1ccccc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823647468 1426867275 /nfs/dbraw/zinc/86/72/75/1426867275.db2.gz KHJCLMSIGQYJGY-UHFFFAOYSA-N -1 0 348.326 2.702 20 30 EFEDRM Cc1nnc(SCc2ccc(F)cc2C#N)c(-c2nn[n-]n2)c1C ZINC000826337155 1426928629 /nfs/dbraw/zinc/92/86/29/1426928629.db2.gz DRTKIJUPDQZBKI-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC3CCCc4cccc2c43)o1 ZINC000826323050 1427015317 /nfs/dbraw/zinc/01/53/17/1427015317.db2.gz NTIOXEKJMKXNDH-LLVKDONJSA-N -1 0 335.371 2.803 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000735451420 1427098017 /nfs/dbraw/zinc/09/80/17/1427098017.db2.gz ZKTOGKQRJPZZHQ-SECBINFHSA-N -1 0 340.309 2.710 20 30 EFEDRM N#Cc1cc(NC(=O)CC=Cc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000822823065 1427327165 /nfs/dbraw/zinc/32/71/65/1427327165.db2.gz JVDWECNUWGXNLS-UPHRSURJSA-N -1 0 348.341 2.919 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000825039185 1427327606 /nfs/dbraw/zinc/32/76/06/1427327606.db2.gz NXHNSBNRSDGNJJ-CQSZACIVSA-N -1 0 349.398 2.863 20 30 EFEDRM C=CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759361 1427345639 /nfs/dbraw/zinc/34/56/39/1427345639.db2.gz VEAVFOHSIPWZJG-UHFFFAOYSA-N -1 0 334.383 2.555 20 30 EFEDRM Cc1nc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)s1 ZINC000823958805 1427455183 /nfs/dbraw/zinc/45/51/83/1427455183.db2.gz XJWSFLARLAUNJL-UHFFFAOYSA-N -1 0 348.823 2.825 20 30 EFEDRM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824780016 1427475743 /nfs/dbraw/zinc/47/57/43/1427475743.db2.gz ZLGZAMUAZXQWGO-UHFFFAOYSA-N -1 0 345.794 2.678 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735389828 1427478446 /nfs/dbraw/zinc/47/84/46/1427478446.db2.gz LBUDKIYBNSOMSX-VAWYXSNFSA-N -1 0 329.363 2.524 20 30 EFEDRM Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826360432 1427492998 /nfs/dbraw/zinc/49/29/98/1427492998.db2.gz KBPMMXVYMLUSEJ-UHFFFAOYSA-N -1 0 344.382 2.713 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(CC#N)cc1 ZINC000826251946 1427602202 /nfs/dbraw/zinc/60/22/02/1427602202.db2.gz HZNVCTINYFNLHR-UHFFFAOYSA-N -1 0 333.351 2.598 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000825038719 1427625212 /nfs/dbraw/zinc/62/52/12/1427625212.db2.gz GWCIDLRSDNLWMW-CYBMUJFWSA-N -1 0 335.371 2.555 20 30 EFEDRM COc1ccc2c(c1)OC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821850013 1427652355 /nfs/dbraw/zinc/65/23/55/1427652355.db2.gz UZOJNELBDUSGAT-MLPAPPSSSA-N -1 0 326.337 2.553 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824352817 1427715338 /nfs/dbraw/zinc/71/53/38/1427715338.db2.gz PBHPMVMMSTVNEW-UHFFFAOYSA-N -1 0 333.302 2.702 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737372657 1427772732 /nfs/dbraw/zinc/77/27/32/1427772732.db2.gz HKRRKXRKAMOCSE-UITAMQMPSA-N -1 0 335.323 2.979 20 30 EFEDRM C=CCC[C@H](C(=O)N[C@@H](CCSC)c1nn[n-]n1)c1ccccc1 ZINC000912862661 1427794034 /nfs/dbraw/zinc/79/40/34/1427794034.db2.gz UGAVHVMOGAZKHM-GJZGRUSLSA-N -1 0 345.472 2.860 20 30 EFEDRM COc1ccc(C=NNc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737084129 1427894718 /nfs/dbraw/zinc/89/47/18/1427894718.db2.gz XAUXKIJIULNXLA-UHFFFAOYSA-N -1 0 345.366 2.870 20 30 EFEDRM C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612277 1427922471 /nfs/dbraw/zinc/92/24/71/1427922471.db2.gz LWPZCTWIUULPLQ-SNVBAGLBSA-N -1 0 340.337 2.867 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819743736 1427978123 /nfs/dbraw/zinc/97/81/23/1427978123.db2.gz PIWFQGXBFYPESR-UHFFFAOYSA-N -1 0 339.424 2.799 20 30 EFEDRM C=CCC(CC=C)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000819734903 1428148757 /nfs/dbraw/zinc/14/87/57/1428148757.db2.gz XFSVHIRLQJQKNW-ZDUSSCGKSA-N -1 0 342.399 2.946 20 30 EFEDRM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826374237 1428160580 /nfs/dbraw/zinc/16/05/80/1428160580.db2.gz RELAYSVJADDALL-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000819773206 1429882173 /nfs/dbraw/zinc/88/21/73/1429882173.db2.gz SDJAFRXVIJSWAD-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM COc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1C#N ZINC000826207186 1429903707 /nfs/dbraw/zinc/90/37/07/1429903707.db2.gz DGJSYPOWTGZGLQ-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM N#CCOc1cc(F)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822810059 1429936803 /nfs/dbraw/zinc/93/68/03/1429936803.db2.gz BEOCXIQYCDTAMC-UHFFFAOYSA-N -1 0 342.309 2.659 20 30 EFEDRM Clc1cc(-c2nn[n-]n2)cc(N=NCCCc2ccccc2)n1 ZINC000826350321 1430015570 /nfs/dbraw/zinc/01/55/70/1430015570.db2.gz QNYJAAWAKVDYRQ-UHFFFAOYSA-N -1 0 327.779 2.946 20 30 EFEDRM N#CCC1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000826380678 1430054623 /nfs/dbraw/zinc/05/46/23/1430054623.db2.gz JGRRGGJTLRJCAN-UHFFFAOYSA-N -1 0 347.220 2.759 20 30 EFEDRM C=CCC[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000913744343 1430123485 /nfs/dbraw/zinc/12/34/85/1430123485.db2.gz KFPDXEOMXRRTER-INIZCTEOSA-N -1 0 325.416 2.656 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000826246555 1430134071 /nfs/dbraw/zinc/13/40/71/1430134071.db2.gz GRVHZGVAIMFKQQ-LBPRGKRZSA-N -1 0 332.367 2.538 20 30 EFEDRM COc1ccc(C#N)cc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826186948 1430144133 /nfs/dbraw/zinc/14/41/33/1430144133.db2.gz RORWXWCSSDEWPL-UHFFFAOYSA-N -1 0 346.394 2.526 20 30 EFEDRM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737081505 1430204416 /nfs/dbraw/zinc/20/44/16/1430204416.db2.gz OEMUBCUIUIYDED-JXMROGBWSA-N -1 0 349.394 2.828 20 30 EFEDRM N#Cc1ccc(-c2ccn(Cc3ccc(F)cc3-c3nnn[n-]3)n2)cc1 ZINC000737709862 1441461887 /nfs/dbraw/zinc/46/18/87/1441461887.db2.gz OBTYLYWWWYAZLU-UHFFFAOYSA-N -1 0 345.341 2.789 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689102 1441507741 /nfs/dbraw/zinc/50/77/41/1441507741.db2.gz UPXKVAWSLMUOFB-LBPRGKRZSA-N -1 0 334.335 2.838 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000824034437 1441549380 /nfs/dbraw/zinc/54/93/80/1441549380.db2.gz JRSIUHULGSYYAS-JTQLQIEISA-N -1 0 326.385 2.831 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826246676 1441583022 /nfs/dbraw/zinc/58/30/22/1441583022.db2.gz JDZRWKUEJUSSRT-QGZVFWFLSA-N -1 0 346.394 2.950 20 30 EFEDRM C#CCN(CC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374325 1441618017 /nfs/dbraw/zinc/61/80/17/1441618017.db2.gz HWNOJUCINQDJJM-UHFFFAOYSA-N -1 0 346.394 2.706 20 30 EFEDRM C=CCCOC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735416936 1441713802 /nfs/dbraw/zinc/71/38/02/1441713802.db2.gz USNJOEJUYPWFFI-UHFFFAOYSA-N -1 0 340.339 2.772 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826381883 1441749949 /nfs/dbraw/zinc/74/99/49/1441749949.db2.gz CXYDNDJMLDTEDO-QPJJXVBHSA-N -1 0 349.325 2.804 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825631937 1441750693 /nfs/dbraw/zinc/75/06/93/1441750693.db2.gz JGQZNKRJGQQGTF-UHFFFAOYSA-N -1 0 348.366 2.698 20 30 EFEDRM N#Cc1cc2c(nc1SCc1ccnc(-c3nn[n-]n3)c1)CCCC2 ZINC000826384233 1441860448 /nfs/dbraw/zinc/86/04/48/1441860448.db2.gz MFMUIDBXSQXJGO-UHFFFAOYSA-N -1 0 349.423 2.699 20 30 EFEDRM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735399155 1441883666 /nfs/dbraw/zinc/88/36/66/1441883666.db2.gz PRAZBJPZYUBYIL-UHFFFAOYSA-N -1 0 335.408 2.523 20 30 EFEDRM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826383699 1441945610 /nfs/dbraw/zinc/94/56/10/1441945610.db2.gz MGUMTFVEAWTMHD-QHHAFSJGSA-N -1 0 337.289 2.913 20 30 EFEDRM CCc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)oc1CC ZINC000821471307 1441958697 /nfs/dbraw/zinc/95/86/97/1441958697.db2.gz ZFHXBZHYLPPOPR-UHFFFAOYSA-N -1 0 336.355 2.708 20 30 EFEDRM N#Cc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000822825392 1441980481 /nfs/dbraw/zinc/98/04/81/1441980481.db2.gz DDRRWLBMEGQEKC-UHFFFAOYSA-N -1 0 335.755 2.599 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n2c1 ZINC000826295653 1442004219 /nfs/dbraw/zinc/00/42/19/1442004219.db2.gz RKKBCDWKIQDARX-XQRVVYSFSA-N -1 0 348.341 2.858 20 30 EFEDRM N#Cc1ccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000822833572 1442049988 /nfs/dbraw/zinc/04/99/88/1442049988.db2.gz RXCJODVOGGQHTQ-UHFFFAOYSA-N -1 0 328.339 2.666 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(O)cc1F ZINC000823958857 1442126388 /nfs/dbraw/zinc/12/63/88/1442126388.db2.gz ZKZNXULLUWRLQD-UHFFFAOYSA-N -1 0 347.741 2.596 20 30 EFEDRM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820457255 1442148032 /nfs/dbraw/zinc/14/80/32/1442148032.db2.gz ZDSYQGITUSLGJH-JTQLQIEISA-N -1 0 335.327 2.820 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737674582 1442171846 /nfs/dbraw/zinc/17/18/46/1442171846.db2.gz KNMHOIHLKJLAOU-AWEZNQCLSA-N -1 0 338.758 2.515 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000821849435 1442181173 /nfs/dbraw/zinc/18/11/73/1442181173.db2.gz IMXBRGAUFIAZSW-NTUHNPAUSA-N -1 0 336.326 2.837 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823963226 1442200014 /nfs/dbraw/zinc/20/00/14/1442200014.db2.gz YMPWNAYUPOCIMJ-UHFFFAOYSA-N -1 0 335.396 2.734 20 30 EFEDRM N#Cc1cc(F)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822819425 1442209458 /nfs/dbraw/zinc/20/94/58/1442209458.db2.gz SKHVBHCRPKELRQ-UHFFFAOYSA-N -1 0 342.309 2.507 20 30 EFEDRM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400936 1442226830 /nfs/dbraw/zinc/22/68/30/1442226830.db2.gz LJSVMXMPERPKMP-ALCCZGGFSA-N -1 0 338.298 2.631 20 30 EFEDRM N#Cc1cc(NC(=O)C=CSc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737706670 1442269241 /nfs/dbraw/zinc/26/92/41/1442269241.db2.gz XXNSZTMBALZASY-HJWRWDBZSA-N -1 0 348.391 2.983 20 30 EFEDRM C[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512993 1442281451 /nfs/dbraw/zinc/28/14/51/1442281451.db2.gz RRSXPJHGLLZLTJ-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM CC(C)(C#N)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000824058713 1442320150 /nfs/dbraw/zinc/32/01/50/1442320150.db2.gz ARNPTVOZZWAEAH-UHFFFAOYSA-N -1 0 345.769 2.591 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)n2c1 ZINC000826295351 1442328569 /nfs/dbraw/zinc/32/85/69/1442328569.db2.gz DDXWEZDWHOZAPZ-GQCTYLIASA-N -1 0 348.341 2.858 20 30 EFEDRM Cc1sc(NC(=O)c2ccc(C#N)cc2C)c(-c2nnn[n-]2)c1C ZINC000826257224 1442378202 /nfs/dbraw/zinc/37/82/02/1442378202.db2.gz SWWLKPXZDPDDDL-UHFFFAOYSA-N -1 0 338.396 2.977 20 30 EFEDRM CC(C)c1csc([C@H](C#N)C(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000820198463 1442444038 /nfs/dbraw/zinc/44/40/38/1442444038.db2.gz WPKXCRTXGANSAT-SECBINFHSA-N -1 0 344.425 2.998 20 30 EFEDRM C#CCCCNc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000823842073 1442446215 /nfs/dbraw/zinc/44/62/15/1442446215.db2.gz XYDJXZSZPUWCGK-UHFFFAOYSA-N -1 0 327.779 2.531 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(Cl)c2F)ccc1-c1nn[n-]n1 ZINC000822822930 1442469016 /nfs/dbraw/zinc/46/90/16/1442469016.db2.gz IGOUKCHXSJPIOB-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400750 1442490913 /nfs/dbraw/zinc/49/09/13/1442490913.db2.gz HJKGHGZOKJKHET-HNQUOIGGSA-N -1 0 340.364 2.596 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825225073 1443184877 /nfs/dbraw/zinc/18/48/77/1443184877.db2.gz KNPKRHLVPFSQGZ-UHFFFAOYSA-N -1 0 326.404 2.768 20 30 EFEDRM Cc1cccc([C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000822288962 1443209487 /nfs/dbraw/zinc/20/94/87/1443209487.db2.gz OCEOLZZHPRRGCQ-SNVBAGLBSA-N -1 0 337.412 2.877 20 30 EFEDRM Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737471026 1443229510 /nfs/dbraw/zinc/22/95/10/1443229510.db2.gz LTABHBGHZYXESH-SNVBAGLBSA-N -1 0 337.412 2.999 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826384256 1443239321 /nfs/dbraw/zinc/23/93/21/1443239321.db2.gz NLULATIHGNQALL-WAYWQWQTSA-N -1 0 337.289 2.913 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000775538758 1443255780 /nfs/dbraw/zinc/25/57/80/1443255780.db2.gz MPAHUIADMPTMGJ-GJZGRUSLSA-N -1 0 337.468 2.876 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCO2 ZINC000822922349 1443326727 /nfs/dbraw/zinc/32/67/27/1443326727.db2.gz FSXLFNKUPUKIIG-HWKANZROSA-N -1 0 338.298 2.631 20 30 EFEDRM Fc1ccc(-n2cc(C=NNc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000737651217 1443355990 /nfs/dbraw/zinc/35/59/90/1443355990.db2.gz RBLRNOYSHNOOKA-UHFFFAOYSA-N -1 0 348.345 2.638 20 30 EFEDRM Cc1sc(NC(=O)c2ccc(CC#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826349763 1443407379 /nfs/dbraw/zinc/40/73/79/1443407379.db2.gz UCUNZSKFDYWCNP-UHFFFAOYSA-N -1 0 338.396 2.863 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2 ZINC000822923269 1443437045 /nfs/dbraw/zinc/43/70/45/1443437045.db2.gz PJARQCYNAQROOW-RQOWECAXSA-N -1 0 340.364 2.596 20 30 EFEDRM N#Cc1ccc(F)c(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000822829638 1443530867 /nfs/dbraw/zinc/53/08/67/1443530867.db2.gz BFQFECOPRDOAHC-UHFFFAOYSA-N -1 0 335.755 2.599 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1Cl ZINC000822823821 1443574985 /nfs/dbraw/zinc/57/49/85/1443574985.db2.gz ZOOPHDMJUAALIV-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CCOc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000825632686 1443581081 /nfs/dbraw/zinc/58/10/81/1443581081.db2.gz ZNJZNFFMAZKWMV-UHFFFAOYSA-N -1 0 326.385 2.811 20 30 EFEDRM C=CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccc(OC)cc1 ZINC000823909698 1443598538 /nfs/dbraw/zinc/59/85/38/1443598538.db2.gz NTRXZCHNXACXBV-UHFFFAOYSA-N -1 0 325.372 2.657 20 30 EFEDRM Cc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C ZINC000826297789 1443604777 /nfs/dbraw/zinc/60/47/77/1443604777.db2.gz SGLSJCWSJGBGTJ-UHFFFAOYSA-N -1 0 327.779 2.978 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744065 1443605830 /nfs/dbraw/zinc/60/58/30/1443605830.db2.gz VDEKACNOCDJRDP-UHFFFAOYSA-N -1 0 347.422 2.667 20 30 EFEDRM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826383496 1443606600 /nfs/dbraw/zinc/60/66/00/1443606600.db2.gz DEGBKADLWXKQHM-QHHAFSJGSA-N -1 0 337.289 2.913 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1OCCCOc1ccc(C#N)cc1 ZINC000822221183 1443628940 /nfs/dbraw/zinc/62/89/40/1443628940.db2.gz DPHULAAGDGAZRQ-UHFFFAOYSA-N -1 0 335.367 2.895 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@@H]1CCc2ccccc21 ZINC000826383869 1443648427 /nfs/dbraw/zinc/64/84/27/1443648427.db2.gz VDRXLQTUHQPKOQ-NSHDSACASA-N -1 0 349.423 2.538 20 30 EFEDRM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)c(F)c1 ZINC000824606521 1443653474 /nfs/dbraw/zinc/65/34/74/1443653474.db2.gz PSZIXMMIKFJFKK-SNVBAGLBSA-N -1 0 340.337 2.867 20 30 EFEDRM N#Cc1cc(NC(=O)c2cnc3ccsc3c2)ccc1-c1nnn[n-]1 ZINC000737708369 1443711616 /nfs/dbraw/zinc/71/16/16/1443711616.db2.gz COHGXWQOOCEBIH-UHFFFAOYSA-N -1 0 347.363 2.600 20 30 EFEDRM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000737472277 1443721344 /nfs/dbraw/zinc/72/13/44/1443721344.db2.gz YMMNAVCYIADUQK-JTQLQIEISA-N -1 0 337.412 2.999 20 30 EFEDRM COc1ccc(OC)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737107716 1443748667 /nfs/dbraw/zinc/74/86/67/1443748667.db2.gz GBYDDOIZMMDPKA-VURMDHGXSA-N -1 0 336.351 2.780 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824137242 1443773846 /nfs/dbraw/zinc/77/38/46/1443773846.db2.gz ZCQNODGSVITNFZ-SNAWJCMRSA-N -1 0 328.401 2.845 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736310119 1443786592 /nfs/dbraw/zinc/78/65/92/1443786592.db2.gz UWZKANWGZXKNEY-CQSZACIVSA-N -1 0 348.366 2.691 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391226 1443800234 /nfs/dbraw/zinc/80/02/34/1443800234.db2.gz OYYOTHRFCBRIJS-UHFFFAOYSA-N -1 0 349.419 2.603 20 30 EFEDRM CC(=NNCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953869 1443802900 /nfs/dbraw/zinc/80/29/00/1443802900.db2.gz SYWQFIIKLGXZNT-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000822846290 1443874702 /nfs/dbraw/zinc/87/47/02/1443874702.db2.gz UNIZGNRKULMEPC-UHFFFAOYSA-N -1 0 349.354 2.972 20 30 EFEDRM CCCCCCCCCN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825270805 1443894667 /nfs/dbraw/zinc/89/46/67/1443894667.db2.gz DPEYDPZGHMUFEF-UHFFFAOYSA-N -1 0 348.451 2.915 20 30 EFEDRM O=C(OCC#Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463213 1443917870 /nfs/dbraw/zinc/91/78/70/1443917870.db2.gz WINPDBLIBMVNFH-UHFFFAOYSA-N -1 0 338.754 2.729 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825480671 1443931767 /nfs/dbraw/zinc/93/17/67/1443931767.db2.gz FXSCURZDPYDVLM-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM CC[C@H]1C[C@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184383 1446091842 /nfs/dbraw/zinc/09/18/42/1446091842.db2.gz SVWQUSHKUZNWCA-MNOVXSKESA-N -1 0 333.396 2.581 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826384664 1446123730 /nfs/dbraw/zinc/12/37/30/1446123730.db2.gz FAVPHLCMDDBGNK-XQRVVYSFSA-N -1 0 337.289 2.913 20 30 EFEDRM COc1ccccc1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737149689 1446210841 /nfs/dbraw/zinc/21/08/41/1446210841.db2.gz YPGMNIWPBSZXHC-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM COc1ccc(O)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837367 1446232971 /nfs/dbraw/zinc/23/29/71/1446232971.db2.gz CUKJLXJSIBQCTN-HYXAFXHYSA-N -1 0 328.353 2.539 20 30 EFEDRM CN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732625 1446238635 /nfs/dbraw/zinc/23/86/35/1446238635.db2.gz MYNHTNNNKFPMLP-CLFYSBASSA-N -1 0 348.341 2.554 20 30 EFEDRM C=CCN(CCc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823909992 1446309950 /nfs/dbraw/zinc/30/99/50/1446309950.db2.gz VHZBAPXQEXPVIU-UHFFFAOYSA-N -1 0 327.363 2.830 20 30 EFEDRM Clc1ccc(C=NOCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826352327 1446346434 /nfs/dbraw/zinc/34/64/34/1446346434.db2.gz WZPMSEBBUNYDAZ-UHFFFAOYSA-N -1 0 343.774 2.950 20 30 EFEDRM CCCCCCCCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907474318 1446408672 /nfs/dbraw/zinc/40/86/72/1446408672.db2.gz GNDCPYCMYKWDLW-CYBMUJFWSA-N -1 0 325.482 2.957 20 30 EFEDRM C#CCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819693613 1446418048 /nfs/dbraw/zinc/41/80/48/1446418048.db2.gz UJRKEFNDKVCRIY-UHFFFAOYSA-N -1 0 346.394 2.754 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCc2ccc(F)cc2)o1 ZINC000820197507 1446451492 /nfs/dbraw/zinc/45/14/92/1446451492.db2.gz KLEZATJHLQNELC-UHFFFAOYSA-N -1 0 329.339 2.758 20 30 EFEDRM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402859 1446517821 /nfs/dbraw/zinc/51/78/21/1446517821.db2.gz DMOZZYSNPBYNKT-FNORWQNLSA-N -1 0 334.314 2.550 20 30 EFEDRM Cc1c(Cl)cnc(NCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826240121 1446653589 /nfs/dbraw/zinc/65/35/89/1446653589.db2.gz CXCMNKAUKVBLMO-UHFFFAOYSA-N -1 0 325.763 2.707 20 30 EFEDRM C=CCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819758602 1446653673 /nfs/dbraw/zinc/65/36/73/1446653673.db2.gz AQHGFULVBYAICQ-UHFFFAOYSA-N -1 0 328.353 2.712 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1[N+](=O)[O-] ZINC000823503748 1446945210 /nfs/dbraw/zinc/94/52/10/1446945210.db2.gz IKYBPEBCKVZDRS-RAXLEYEMSA-N -1 0 347.334 2.987 20 30 EFEDRM C=CCNc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)s1 ZINC000819751062 1446957189 /nfs/dbraw/zinc/95/71/89/1446957189.db2.gz NWYAUJWLFFATIN-UHFFFAOYSA-N -1 0 349.420 2.748 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735603301 1446978984 /nfs/dbraw/zinc/97/89/84/1446978984.db2.gz ZBJDNGQHKSLKIU-UHFFFAOYSA-N -1 0 343.460 2.825 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCO2 ZINC000822921983 1446980510 /nfs/dbraw/zinc/98/05/10/1446980510.db2.gz BMGUEGCXLNMBKU-NSCUHMNNSA-N -1 0 326.337 2.553 20 30 EFEDRM COc1cccc(O)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826217598 1447056901 /nfs/dbraw/zinc/05/69/01/1447056901.db2.gz UMAVTYFRLQJQFV-UHFFFAOYSA-N -1 0 344.762 2.680 20 30 EFEDRM Cc1c(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822122319 1447077349 /nfs/dbraw/zinc/07/73/49/1447077349.db2.gz KXZGEJYYTLIIBP-UHFFFAOYSA-N -1 0 341.306 2.668 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccncc1 ZINC000823888777 1447083250 /nfs/dbraw/zinc/08/32/50/1447083250.db2.gz WIWYPCJEFWELCG-MRXNPFEDSA-N -1 0 334.383 2.617 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000822801919 1447152082 /nfs/dbraw/zinc/15/20/82/1447152082.db2.gz QXNIFJGVZOGEHZ-UHFFFAOYSA-N -1 0 330.779 2.933 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826384255 1447164092 /nfs/dbraw/zinc/16/40/92/1447164092.db2.gz NLULATIHGNQALL-AATRIKPKSA-N -1 0 337.289 2.913 20 30 EFEDRM N#Cc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1-c1nn[n-]n1 ZINC000737706244 1447260719 /nfs/dbraw/zinc/26/07/19/1447260719.db2.gz WSSLWLVWRLYKEJ-UHFFFAOYSA-N -1 0 344.378 2.799 20 30 EFEDRM N#CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000826380963 1447301676 /nfs/dbraw/zinc/30/16/76/1447301676.db2.gz SEZZWLFAYPQUDH-UHFFFAOYSA-N -1 0 348.357 2.594 20 30 EFEDRM N#Cc1cccc(OCCOc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822837934 1449101948 /nfs/dbraw/zinc/10/19/48/1449101948.db2.gz ZITCZCXUIWPLAE-UHFFFAOYSA-N -1 0 341.758 2.850 20 30 EFEDRM FC(F)(F)c1cc(N=NCC[C@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC000826368677 1449137928 /nfs/dbraw/zinc/13/79/28/1449137928.db2.gz YMUNTXVUVINRJP-VIFPVBQESA-N -1 0 340.309 2.710 20 30 EFEDRM C=C[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819729644 1449189352 /nfs/dbraw/zinc/18/93/52/1449189352.db2.gz JZJDBMGEHDBSMH-ZDUSSCGKSA-N -1 0 328.420 2.609 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CCO2 ZINC000826212482 1449279461 /nfs/dbraw/zinc/27/94/61/1449279461.db2.gz RXCSDTAWUKUJNY-JLHYYAGUSA-N -1 0 348.362 2.924 20 30 EFEDRM Clc1ccnc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000826353970 1449382194 /nfs/dbraw/zinc/38/21/94/1449382194.db2.gz LFSGKTQOLBSUFG-UHFFFAOYSA-N -1 0 338.762 2.842 20 30 EFEDRM COc1ccccc1CC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821889943 1449428655 /nfs/dbraw/zinc/42/86/55/1449428655.db2.gz HQOOJSGPPDHOCU-UHFFFAOYSA-N -1 0 336.399 2.584 20 30 EFEDRM C=CCC[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894022 1449554845 /nfs/dbraw/zinc/55/48/45/1449554845.db2.gz FAKCTVOQCBHTPD-AWEZNQCLSA-N -1 0 328.372 2.534 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccnc3ccccc23)o1 ZINC000735940319 1449585557 /nfs/dbraw/zinc/58/55/57/1449585557.db2.gz YLXCRIRPLKMPMY-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826384362 1449670750 /nfs/dbraw/zinc/67/07/50/1449670750.db2.gz SAKJFRAWQZNJEZ-HYXAFXHYSA-N -1 0 325.328 2.835 20 30 EFEDRM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1nccn1Cc1ccccc1 ZINC000735399863 1449699354 /nfs/dbraw/zinc/69/93/54/1449699354.db2.gz MQHPGOILZZGHOM-UHFFFAOYSA-N -1 0 344.382 2.558 20 30 EFEDRM CC(=NNc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963179 1449940026 /nfs/dbraw/zinc/94/00/26/1449940026.db2.gz XKALQXBHDDNKKJ-UHFFFAOYSA-N -1 0 348.345 2.785 20 30 EFEDRM Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826289077 1449956808 /nfs/dbraw/zinc/95/68/08/1449956808.db2.gz JNFXHPWVQJFJHJ-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM C#CCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823840674 1449957403 /nfs/dbraw/zinc/95/74/03/1449957403.db2.gz BAWZWZBANXCDDZ-UHFFFAOYSA-N -1 0 328.372 2.502 20 30 EFEDRM CC[C@@H]1C[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000825183438 1449960671 /nfs/dbraw/zinc/96/06/71/1449960671.db2.gz OQGBFMLJIUGLHX-MWLCHTKSSA-N -1 0 335.799 2.518 20 30 EFEDRM C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735410082 1450025398 /nfs/dbraw/zinc/02/53/98/1450025398.db2.gz SZRSZPVULYOMKL-CYBMUJFWSA-N -1 0 328.420 2.753 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826380402 1450068568 /nfs/dbraw/zinc/06/85/68/1450068568.db2.gz ZJSXVSVANUJOFE-GOEBONIOSA-N -1 0 331.383 2.538 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H](c2ccccc2)C2CC2)ccc1-c1nn[n-]n1 ZINC000826384298 1450086026 /nfs/dbraw/zinc/08/60/26/1450086026.db2.gz PPRRKQSLPHZOMV-QGZVFWFLSA-N -1 0 344.378 2.871 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)OCC ZINC000823872655 1450143287 /nfs/dbraw/zinc/14/32/87/1450143287.db2.gz CKWSOAHRDGLOCP-CYBMUJFWSA-N -1 0 335.795 2.830 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819722197 1450169076 /nfs/dbraw/zinc/16/90/76/1450169076.db2.gz BXDVIUULUUJPLJ-GFCCVEGCSA-N -1 0 331.445 2.772 20 30 EFEDRM O=C(C#Cc1ccccc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826396929 1450281680 /nfs/dbraw/zinc/28/16/80/1450281680.db2.gz OSLHMXRBKYJQOL-UHFFFAOYSA-N -1 0 338.754 2.615 20 30 EFEDRM C=CCCOCCCCC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823898831 1450315506 /nfs/dbraw/zinc/31/55/06/1450315506.db2.gz DCRFHZZRKGVEPR-UHFFFAOYSA-N -1 0 343.431 2.588 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823893958 1450407137 /nfs/dbraw/zinc/40/71/37/1450407137.db2.gz CHFXEYQYOMUKJA-ZDUSSCGKSA-N -1 0 340.431 2.900 20 30 EFEDRM FC(F)(F)c1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)nc1 ZINC000822728294 1450419637 /nfs/dbraw/zinc/41/96/37/1450419637.db2.gz FQSVQXIVQCPYRJ-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM COc1ccc(OC)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210685 1450421290 /nfs/dbraw/zinc/42/12/90/1450421290.db2.gz AFOMEZJNGPBMKJ-CLFYSBASSA-N -1 0 336.351 2.780 20 30 EFEDRM COCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000821679772 1450482246 /nfs/dbraw/zinc/48/22/46/1450482246.db2.gz MFYJBOOVLOLCDK-UHFFFAOYSA-N -1 0 340.309 2.710 20 30 EFEDRM c1ccc2c(c1)CSCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823801765 1450504220 /nfs/dbraw/zinc/50/42/20/1450504220.db2.gz AMWTUKYVWYXPKL-UHFFFAOYSA-N -1 0 336.424 2.607 20 30 EFEDRM C=CCCCN(C)C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735408078 1450512910 /nfs/dbraw/zinc/51/29/10/1450512910.db2.gz FRVYDHXHJOOMJN-MRXNPFEDSA-N -1 0 343.431 2.695 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000013357547 713283076 /nfs/dbraw/zinc/28/30/76/713283076.db2.gz MDNJVKAWZRERIX-BQYQJAHWSA-N -1 0 327.292 2.954 20 30 EFEDRM O=C1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1 ZINC000255028355 713327605 /nfs/dbraw/zinc/32/76/05/713327605.db2.gz JKFLRZAOGYXWDL-VQIMKDEXSA-N -1 0 325.324 2.525 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C(F)(F)F)n1 ZINC000120954945 713597785 /nfs/dbraw/zinc/59/77/85/713597785.db2.gz GSZTWISIGOKURY-SECBINFHSA-N -1 0 347.300 2.816 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000177604902 713740660 /nfs/dbraw/zinc/74/06/60/713740660.db2.gz SNAGXMSFZQLHIT-AWEZNQCLSA-N -1 0 329.356 2.538 20 30 EFEDRM CSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000048497339 713797666 /nfs/dbraw/zinc/79/76/66/713797666.db2.gz NFARUTVOAFDOSG-UHFFFAOYSA-N -1 0 332.406 2.974 20 30 EFEDRM O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048579675 713839260 /nfs/dbraw/zinc/83/92/60/713839260.db2.gz NUSOSSIUTSAWAC-UHFFFAOYSA-N -1 0 345.726 2.954 20 30 EFEDRM COc1ccc2oc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)cc2c1 ZINC000160347420 713933589 /nfs/dbraw/zinc/93/35/89/713933589.db2.gz BOQRPNMBQJUFHQ-RCFWFJCLSA-N -1 0 326.304 2.670 20 30 EFEDRM COc1ccc2oc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)cc2c1 ZINC000160347569 713934908 /nfs/dbraw/zinc/93/49/08/713934908.db2.gz BOQRPNMBQJUFHQ-NJELEJDNSA-N -1 0 326.304 2.670 20 30 EFEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000892491211 717949353 /nfs/dbraw/zinc/94/93/53/717949353.db2.gz GLWDASYHFHKWMI-AWEZNQCLSA-N -1 0 328.416 2.680 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2c(cccc2C)c1C ZINC000121186832 714126141 /nfs/dbraw/zinc/12/61/41/714126141.db2.gz RRYYAPJTXGKFFZ-CQSZACIVSA-N -1 0 328.368 2.525 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050206650 714201362 /nfs/dbraw/zinc/20/13/62/714201362.db2.gz NENRMIGAPOQEEY-CHWSQXEVSA-N -1 0 328.821 2.741 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc2c1C(=O)CCC2 ZINC000050685403 714454339 /nfs/dbraw/zinc/45/43/39/714454339.db2.gz VPZSATCTAWSWOO-ZDUSSCGKSA-N -1 0 342.395 2.878 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000050821395 714480084 /nfs/dbraw/zinc/48/00/84/714480084.db2.gz LCLYVIVWFCKEOV-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000176014525 714708085 /nfs/dbraw/zinc/70/80/85/714708085.db2.gz WMOLSYYKDIOTHQ-UHFFFAOYSA-N -1 0 348.449 2.756 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000176016160 714712963 /nfs/dbraw/zinc/71/29/63/714712963.db2.gz RMTUCWBVZNZMCN-INIZCTEOSA-N -1 0 346.427 2.729 20 30 EFEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000121590490 715039647 /nfs/dbraw/zinc/03/96/47/715039647.db2.gz AOUTZWHGASKIAE-CYBMUJFWSA-N -1 0 341.342 2.734 20 30 EFEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000121590661 715039755 /nfs/dbraw/zinc/03/97/55/715039755.db2.gz AOUTZWHGASKIAE-ZDUSSCGKSA-N -1 0 341.342 2.734 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C ZINC000092316052 715107495 /nfs/dbraw/zinc/10/74/95/715107495.db2.gz QRWMHTDZZGYCLX-LLVKDONJSA-N -1 0 329.466 2.788 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OCC ZINC000124706574 715462237 /nfs/dbraw/zinc/46/22/37/715462237.db2.gz LRXYYODBISTHIK-OAHLLOKOSA-N -1 0 344.411 2.819 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc32)c(F)c1 ZINC000075040499 715472342 /nfs/dbraw/zinc/47/23/42/715472342.db2.gz RBNKIIQTVJEILC-GFCCVEGCSA-N -1 0 335.356 2.956 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2cccs2)n1 ZINC000124755337 715484678 /nfs/dbraw/zinc/48/46/78/715484678.db2.gz FMPLWNXSLAMHLF-SNVBAGLBSA-N -1 0 331.422 2.816 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)N3CCCC3)cs2)o1 ZINC000124897643 715519475 /nfs/dbraw/zinc/51/94/75/715519475.db2.gz LNUQTQZYIYZMDB-LLVKDONJSA-N -1 0 329.381 2.656 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000121403139 724418436 /nfs/dbraw/zinc/41/84/36/724418436.db2.gz SJNJYHKWJDVAFR-ZCFIWIBFSA-N -1 0 325.802 2.593 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000051896943 715802669 /nfs/dbraw/zinc/80/26/69/715802669.db2.gz NVUPARSFTGEOAX-UHFFFAOYSA-N -1 0 335.410 2.579 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1C ZINC000125048104 715899700 /nfs/dbraw/zinc/89/97/00/715899700.db2.gz ALYKKHVMQUKMKA-NSHDSACASA-N -1 0 348.399 2.824 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000127235542 724433128 /nfs/dbraw/zinc/43/31/28/724433128.db2.gz HMWSYQLPEDCBNY-AWEZNQCLSA-N -1 0 329.356 2.675 20 30 EFEDRM C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000909370096 715951769 /nfs/dbraw/zinc/95/17/69/715951769.db2.gz ZPKHADNKQTVFKO-OAHLLOKOSA-N -1 0 333.384 2.529 20 30 EFEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000125513781 715980040 /nfs/dbraw/zinc/98/00/40/715980040.db2.gz MXODWYCANRQBOK-HNNXBMFYSA-N -1 0 334.441 2.662 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1O ZINC000975872325 716020785 /nfs/dbraw/zinc/02/07/85/716020785.db2.gz AEFHDIHDGLDUFJ-AWEZNQCLSA-N -1 0 345.443 2.500 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC000977385756 716149683 /nfs/dbraw/zinc/14/96/83/716149683.db2.gz IAWFLRUZSLTPJD-CQSZACIVSA-N -1 0 330.428 2.667 20 30 EFEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052368470 716155658 /nfs/dbraw/zinc/15/56/58/716155658.db2.gz TXNSYFJOPOGAKX-UHFFFAOYSA-N -1 0 345.333 2.584 20 30 EFEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000255570570 716182982 /nfs/dbraw/zinc/18/29/82/716182982.db2.gz YKUSPJZPHNDZLK-IWQZZHSRSA-N -1 0 331.274 2.897 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000178987253 723262875 /nfs/dbraw/zinc/26/28/75/723262875.db2.gz NIQKXGKRYFGNPQ-HNNXBMFYSA-N -1 0 325.343 2.755 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000157990230 716397924 /nfs/dbraw/zinc/39/79/24/716397924.db2.gz WFSADPBICNHKRH-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1 ZINC000125576763 716584041 /nfs/dbraw/zinc/58/40/41/716584041.db2.gz LIXAQCDXSUNZJY-AWEZNQCLSA-N -1 0 332.400 2.723 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1 ZINC000125573773 716587175 /nfs/dbraw/zinc/58/71/75/716587175.db2.gz PTPNBWUAGLFTGZ-MRXNPFEDSA-N -1 0 332.400 2.723 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)ccc1Cl ZINC000052792914 716605721 /nfs/dbraw/zinc/60/57/21/716605721.db2.gz WEAJCGUGVJEXRN-NSHDSACASA-N -1 0 346.836 2.713 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc(Cl)sc1Cl ZINC000052793639 716614464 /nfs/dbraw/zinc/61/44/64/716614464.db2.gz FGVPVYSEDVLPMI-UHFFFAOYSA-N -1 0 329.230 2.700 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(OC)c1 ZINC000169257078 716716714 /nfs/dbraw/zinc/71/67/14/716716714.db2.gz SRMZDRUMZZGQCU-UHFFFAOYSA-N -1 0 343.177 2.562 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1 ZINC000125695774 716723404 /nfs/dbraw/zinc/72/34/04/716723404.db2.gz YUFXUWSCJIBBCW-UPCLLVRISA-N -1 0 348.468 2.584 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000926562722 716771839 /nfs/dbraw/zinc/77/18/39/716771839.db2.gz GQLPDVAXVWWYGD-PHIMTYICSA-N -1 0 341.816 2.910 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(C)=O)c1 ZINC000125713337 716850786 /nfs/dbraw/zinc/85/07/86/716850786.db2.gz MDAFKRDPSSTVCV-MRXNPFEDSA-N -1 0 343.427 2.972 20 30 EFEDRM C#CCC1(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])CCCCC1 ZINC000909386023 716886410 /nfs/dbraw/zinc/88/64/10/716886410.db2.gz BVKDNRCONWFPDT-INIZCTEOSA-N -1 0 347.386 2.748 20 30 EFEDRM COCCOCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000064665317 716912097 /nfs/dbraw/zinc/91/20/97/716912097.db2.gz SOYLBJCUWBQTQT-UHFFFAOYSA-N -1 0 337.397 2.538 20 30 EFEDRM COc1cc(C(=O)N(C)C)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255603281 716981226 /nfs/dbraw/zinc/98/12/26/716981226.db2.gz UIAVEHGGTZXRNZ-UHFFFAOYSA-N -1 0 343.339 2.761 20 30 EFEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000178470603 716991760 /nfs/dbraw/zinc/99/17/60/716991760.db2.gz WAPPMROUMAQGQQ-GFCCVEGCSA-N -1 0 346.184 2.696 20 30 EFEDRM O=C1Nc2cc([O-])c(Br)cc2C1=NNC1CCCCC1 ZINC000841638609 717008731 /nfs/dbraw/zinc/00/87/31/717008731.db2.gz SQPYUYJJSJMVCW-UHFFFAOYSA-N -1 0 338.205 2.733 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000125621352 717077977 /nfs/dbraw/zinc/07/79/77/717077977.db2.gz CZCDTWCPWSTNJE-QGZVFWFLSA-N -1 0 338.411 2.891 20 30 EFEDRM O=C(C1CCCC1)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000255615660 717141749 /nfs/dbraw/zinc/14/17/49/717141749.db2.gz IPSWUYMHJHSTQU-KPYNCUPYSA-N -1 0 331.372 2.510 20 30 EFEDRM COCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000065763180 717342249 /nfs/dbraw/zinc/34/22/49/717342249.db2.gz DEQJZKCAGWUQPM-UHFFFAOYSA-N -1 0 349.408 2.714 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)cc1C ZINC000065763928 717346913 /nfs/dbraw/zinc/34/69/13/717346913.db2.gz RNZSSBYLYQCCGT-UHFFFAOYSA-N -1 0 340.445 2.501 20 30 EFEDRM CC(C)Oc1cc(Br)ccc1C(=O)[N-]S(C)(=O)=O ZINC000065764018 717346990 /nfs/dbraw/zinc/34/69/90/717346990.db2.gz CNIAFUJYSXTOMS-UHFFFAOYSA-N -1 0 336.207 2.501 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cn(-c2ccccc2)nn1 ZINC000255696674 717424855 /nfs/dbraw/zinc/42/48/55/717424855.db2.gz XXBCUNAFHHHDTD-CLFYSBASSA-N -1 0 336.307 2.777 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892456955 717599902 /nfs/dbraw/zinc/59/99/02/717599902.db2.gz ALTNNQKJRGCWPR-SNVBAGLBSA-N -1 0 342.729 2.886 20 30 EFEDRM CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C\c2cc(Cl)cc(Cl)c2[O-])O1 ZINC000255836648 717790690 /nfs/dbraw/zinc/79/06/90/717790690.db2.gz JAJRNJGCLIMERM-PISOQPSISA-N -1 0 345.226 2.754 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892530583 718217512 /nfs/dbraw/zinc/21/75/12/718217512.db2.gz RVGMCCKHBJEFHY-CYBMUJFWSA-N -1 0 346.456 2.515 20 30 EFEDRM C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000935798012 718345274 /nfs/dbraw/zinc/34/52/74/718345274.db2.gz NRZQGBHYKXBDCR-LBPRGKRZSA-N -1 0 343.210 2.558 20 30 EFEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1C ZINC000180734688 718371212 /nfs/dbraw/zinc/37/12/12/718371212.db2.gz CGRNRMHUVRWTFQ-MRXNPFEDSA-N -1 0 346.427 2.566 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000180774863 718374205 /nfs/dbraw/zinc/37/42/05/718374205.db2.gz AJGIHGVXYVTWDF-QGZVFWFLSA-N -1 0 336.395 2.644 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000892700501 718802504 /nfs/dbraw/zinc/80/25/04/718802504.db2.gz XXFIFRKVWVTASP-UHFFFAOYSA-N -1 0 325.430 2.719 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000892919519 719277142 /nfs/dbraw/zinc/27/71/42/719277142.db2.gz QWVMMMKWVDNUBO-UHFFFAOYSA-N -1 0 335.425 2.563 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C ZINC000122658582 719611120 /nfs/dbraw/zinc/61/11/20/719611120.db2.gz JVNVXIOLLUJTDC-NSHDSACASA-N -1 0 340.770 2.771 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122665276 719632707 /nfs/dbraw/zinc/63/27/07/719632707.db2.gz JUQMLBVROAFEFL-OAHLLOKOSA-N -1 0 342.395 2.915 20 30 EFEDRM Cc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122712638 719718811 /nfs/dbraw/zinc/71/88/11/719718811.db2.gz MDQOXJIWWXXGQT-CQSZACIVSA-N -1 0 327.409 2.803 20 30 EFEDRM N#CC(=C([O-])C1=CCCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000122720673 719718885 /nfs/dbraw/zinc/71/88/85/719718885.db2.gz VAWZYQUUFWYRRN-CQSZACIVSA-N -1 0 334.383 2.874 20 30 EFEDRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)CCCC#N)CC1 ZINC000181268676 720017593 /nfs/dbraw/zinc/01/75/93/720017593.db2.gz DRGZHCQAJQPIJG-UHFFFAOYSA-N -1 0 328.478 2.979 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000120236702 720051670 /nfs/dbraw/zinc/05/16/70/720051670.db2.gz RZFVJSVZWOQPTL-QGZVFWFLSA-N -1 0 335.363 2.819 20 30 EFEDRM N#Cc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000014177037 720121130 /nfs/dbraw/zinc/12/11/30/720121130.db2.gz JJXVFVVBYYBHEN-XYOKQWHBSA-N -1 0 332.406 2.624 20 30 EFEDRM C=C1CCC(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CC1 ZINC000909639023 724696054 /nfs/dbraw/zinc/69/60/54/724696054.db2.gz BEOPFJOTWMUWKL-UHFFFAOYSA-N -1 0 326.356 2.650 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc2cc(C)cc(Br)c2o1 ZINC000123195319 720823247 /nfs/dbraw/zinc/82/32/47/720823247.db2.gz VMWXQQOTUVRXSA-SECBINFHSA-N -1 0 335.157 2.572 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000124177073 721383952 /nfs/dbraw/zinc/38/39/52/721383952.db2.gz CWASRZSLODBDLN-NSHDSACASA-N -1 0 343.210 2.859 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2c1CC[C@@H](C)C2 ZINC000124204599 721413616 /nfs/dbraw/zinc/41/36/16/721413616.db2.gz MRFPKXREEJZVAV-TZMCWYRMSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(SC)ccc1C ZINC000124288580 721461526 /nfs/dbraw/zinc/46/15/26/721461526.db2.gz YPBCRAQNPKNEDM-HNNXBMFYSA-N -1 0 334.441 2.582 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NCCC#N)cc1 ZINC000427634045 722066635 /nfs/dbraw/zinc/06/66/35/722066635.db2.gz OWJMLCDKDCRIFW-UHFFFAOYSA-N -1 0 349.437 2.501 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1sccc1Br ZINC000048518624 722606879 /nfs/dbraw/zinc/60/68/79/722606879.db2.gz RYGJRAUOKYDQKM-UHFFFAOYSA-N -1 0 326.237 2.945 20 30 EFEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1cccc(Br)c1 ZINC000917555478 728759214 /nfs/dbraw/zinc/75/92/14/728759214.db2.gz RPJDRTNVEWSRCI-UHFFFAOYSA-N -1 0 331.177 2.952 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000126734886 723015647 /nfs/dbraw/zinc/01/56/47/723015647.db2.gz DKJTXWZEQPTKKF-SFHVURJKSA-N -1 0 344.374 2.511 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000194028732 723286646 /nfs/dbraw/zinc/28/66/46/723286646.db2.gz QATIGYHLCVYDHP-AWEZNQCLSA-N -1 0 340.345 2.724 20 30 EFEDRM C#C[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC000185339824 723344620 /nfs/dbraw/zinc/34/46/20/723344620.db2.gz FTNSPWDQYAPPII-SNVBAGLBSA-N -1 0 344.317 2.674 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000320093843 723374469 /nfs/dbraw/zinc/37/44/69/723374469.db2.gz LOQWWHILFWCSIY-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)[n-]c1C#N ZINC000917973102 728815619 /nfs/dbraw/zinc/81/56/19/728815619.db2.gz KXQKMKCLBRGMJW-UHFFFAOYSA-N -1 0 330.351 2.719 20 30 EFEDRM CO[C@@H]1COCC[C@H]1C/N=C/c1cc(Br)ccc1O ZINC000840704994 723513166 /nfs/dbraw/zinc/51/31/66/723513166.db2.gz BJKLZBBICNXESE-DNXKIUMKSA-N -1 0 328.206 2.625 20 30 EFEDRM COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1[O-] ZINC000727972987 723544539 /nfs/dbraw/zinc/54/45/39/723544539.db2.gz OBKJZKIWJIWTSY-UHFFFAOYSA-N -1 0 346.299 2.972 20 30 EFEDRM C=CCOC[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000796014681 723563521 /nfs/dbraw/zinc/56/35/21/723563521.db2.gz JLUSKDWPRVOVMW-GFCCVEGCSA-N -1 0 334.199 2.533 20 30 EFEDRM C=CCOC[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000796014689 723564043 /nfs/dbraw/zinc/56/40/43/723564043.db2.gz JLUSKDWPRVOVMW-LBPRGKRZSA-N -1 0 334.199 2.533 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc12 ZINC000728147943 723603626 /nfs/dbraw/zinc/60/36/26/723603626.db2.gz PFHFAIRFNGXEKC-AWEZNQCLSA-N -1 0 340.383 2.557 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000130565220 728857329 /nfs/dbraw/zinc/85/73/29/728857329.db2.gz UZMMIWMOHNFECY-OAHLLOKOSA-N -1 0 344.342 2.845 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000320497904 723897465 /nfs/dbraw/zinc/89/74/65/723897465.db2.gz JFRCWDGDVOMFEZ-UHFFFAOYSA-N -1 0 329.393 2.939 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895236771 723910963 /nfs/dbraw/zinc/91/09/63/723910963.db2.gz PCYDPCSFNGCIEV-UHFFFAOYSA-N -1 0 335.379 2.926 20 30 EFEDRM C#CCOC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000728343912 723928123 /nfs/dbraw/zinc/92/81/23/723928123.db2.gz PYNQPPMBNBPWNE-UHFFFAOYSA-N -1 0 349.795 2.931 20 30 EFEDRM CC(C)(CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])S(C)(=O)=O ZINC000840713574 724046009 /nfs/dbraw/zinc/04/60/09/724046009.db2.gz SXKHNHWDMCFRAK-OVCLIPMQSA-N -1 0 348.808 2.586 20 30 EFEDRM N#CCN1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000895413181 724122598 /nfs/dbraw/zinc/12/25/98/724122598.db2.gz YMSQPZYDCGGVSE-JTQLQIEISA-N -1 0 342.226 2.664 20 30 EFEDRM C=C[C@@H](CC)CC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000909524875 724220998 /nfs/dbraw/zinc/22/09/98/724220998.db2.gz KRDSECHZYJKTFD-NSHDSACASA-N -1 0 332.352 2.599 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2C)n1 ZINC000727626426 724249776 /nfs/dbraw/zinc/24/97/76/724249776.db2.gz BOZRXLNDYVHZIM-ZDUSSCGKSA-N -1 0 325.393 2.743 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000127364121 724974491 /nfs/dbraw/zinc/97/44/91/724974491.db2.gz GTMZAVKGIQYBJS-LBPRGKRZSA-N -1 0 344.802 2.759 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc(OC)c1C ZINC000127364348 724974642 /nfs/dbraw/zinc/97/46/42/724974642.db2.gz PEPOMQVLRNTABU-OAHLLOKOSA-N -1 0 344.411 2.784 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC3CC3)cc2[n-]c1=S ZINC000174677124 725619498 /nfs/dbraw/zinc/61/94/98/725619498.db2.gz LCTYEXZIBUQSLH-UHFFFAOYSA-N -1 0 329.425 2.775 20 30 EFEDRM C#CCCCCC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909672257 725829717 /nfs/dbraw/zinc/82/97/17/725829717.db2.gz ZFIDVFSWEUDIQG-UHFFFAOYSA-N -1 0 338.201 2.957 20 30 EFEDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000151894099 725858349 /nfs/dbraw/zinc/85/83/49/725858349.db2.gz MPUMTRYCNDSEPH-CQSZACIVSA-N -1 0 334.441 2.970 20 30 EFEDRM O=C1Nc2c(cccc2F)C1=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788026741 726127861 /nfs/dbraw/zinc/12/78/61/726127861.db2.gz IZAPOBYKLHKBJR-UHFFFAOYSA-N -1 0 340.343 2.508 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000914355644 726256463 /nfs/dbraw/zinc/25/64/63/726256463.db2.gz OJQLGMIXABXEEN-LLVKDONJSA-N -1 0 326.384 2.967 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000054491976 726355952 /nfs/dbraw/zinc/35/59/52/726355952.db2.gz ZTKIHVNCEXJHFE-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/COc3ccc(F)cc3C2=O)cc1 ZINC000731565124 726892777 /nfs/dbraw/zinc/89/27/77/726892777.db2.gz FQRRAJNQBPMWAA-GHXNOFRVSA-N -1 0 328.295 2.948 20 30 EFEDRM C[C@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)NC4CC4)cc3c2C1 ZINC000193462394 726938644 /nfs/dbraw/zinc/93/86/44/726938644.db2.gz JIQDYMFSYKTFPC-MEDUHNTESA-N -1 0 335.407 2.894 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000129115258 726957322 /nfs/dbraw/zinc/95/73/22/726957322.db2.gz KFPOQPCSFXFUMC-OAHLLOKOSA-N -1 0 342.326 2.599 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1OCCC(C)C ZINC000129121163 726958085 /nfs/dbraw/zinc/95/80/85/726958085.db2.gz KJPYDSSZUOKBRQ-OAHLLOKOSA-N -1 0 344.411 2.721 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000907541136 726960900 /nfs/dbraw/zinc/96/09/00/726960900.db2.gz GGDPLVJOIHNVIN-JSGCOSHPSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000907541138 726960924 /nfs/dbraw/zinc/96/09/24/726960924.db2.gz GGDPLVJOIHNVIN-OCCSQVGLSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000907541134 726960946 /nfs/dbraw/zinc/96/09/46/726960946.db2.gz GGDPLVJOIHNVIN-GXTWGEPZSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C[C@H](CC)CC(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000907638872 726979987 /nfs/dbraw/zinc/97/99/87/726979987.db2.gz FPLLPFSIVSXFES-CYBMUJFWSA-N -1 0 327.384 2.789 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@@H]2CCCCO2)n1 ZINC000732380745 727067114 /nfs/dbraw/zinc/06/71/14/727067114.db2.gz BRJDCUAIKOQZDY-STQMWFEESA-N -1 0 336.413 2.520 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)OCC ZINC000908177204 727115124 /nfs/dbraw/zinc/11/51/24/727115124.db2.gz QJLOSLIXIFYNCR-CWVKQELPSA-N -1 0 341.473 2.603 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)OCC ZINC000908177210 727115186 /nfs/dbraw/zinc/11/51/86/727115186.db2.gz QJLOSLIXIFYNCR-YXXKGXSTSA-N -1 0 341.473 2.603 20 30 EFEDRM C=CCCOCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908406994 727179786 /nfs/dbraw/zinc/17/97/86/727179786.db2.gz FCHUUGVACZEVCC-CYBMUJFWSA-N -1 0 345.317 2.930 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000908628698 727228224 /nfs/dbraw/zinc/22/82/24/727228224.db2.gz XSGJBGBJEPPQDM-LBPRGKRZSA-N -1 0 328.290 2.780 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000908652668 727235880 /nfs/dbraw/zinc/23/58/80/727235880.db2.gz RCMKKISCANPIEZ-OAHLLOKOSA-N -1 0 339.395 2.718 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000908751080 727256589 /nfs/dbraw/zinc/25/65/89/727256589.db2.gz ISCRQKKXDJSNTK-DLBZAZTESA-N -1 0 345.443 2.542 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnc(C)s2)n1 ZINC000732865495 727262915 /nfs/dbraw/zinc/26/29/15/727262915.db2.gz AETGHBOCOPAFQY-MVZIDQBPSA-N -1 0 347.421 2.649 20 30 EFEDRM CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000732899975 727270043 /nfs/dbraw/zinc/27/00/43/727270043.db2.gz DLDRKTYNYXOWEH-INIZCTEOSA-N -1 0 342.420 2.632 20 30 EFEDRM C=C1CCC(C(=O)N(CC(=O)[O-])Cc2cc(OC)cc(OC)c2)CC1 ZINC000908910568 727287045 /nfs/dbraw/zinc/28/70/45/727287045.db2.gz YOGUTOMZFZAOQJ-UHFFFAOYSA-N -1 0 347.411 2.863 20 30 EFEDRM C#CCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909004948 727306433 /nfs/dbraw/zinc/30/64/33/727306433.db2.gz JFXZOGCAECOZMO-CJNGLKHVSA-N -1 0 331.412 2.654 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cc(C)ccc1OC(F)F)C(=O)[O-] ZINC000909113306 727324545 /nfs/dbraw/zinc/32/45/45/727324545.db2.gz RJHJYAXANVDWPS-LBPRGKRZSA-N -1 0 342.342 2.815 20 30 EFEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129259577 727333430 /nfs/dbraw/zinc/33/34/30/727333430.db2.gz ZGWPODWRJDXLHK-SNVBAGLBSA-N -1 0 331.422 2.781 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO)C(=O)[O-] ZINC000909162493 727339889 /nfs/dbraw/zinc/33/98/89/727339889.db2.gz WAFSMGHSNDNZCD-HZPDHXFCSA-N -1 0 348.443 2.507 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC000909715561 727366522 /nfs/dbraw/zinc/36/65/22/727366522.db2.gz MXANKBREUIKFDO-MRVPVSSYSA-N -1 0 343.355 2.722 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cn(CC)nc1-c1ccccc1)C(=O)[O-] ZINC000909715315 727366591 /nfs/dbraw/zinc/36/65/91/727366591.db2.gz LNJKMMLKYNZIBR-OAHLLOKOSA-N -1 0 327.384 2.719 20 30 EFEDRM C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909787441 727377956 /nfs/dbraw/zinc/37/79/56/727377956.db2.gz KAIHRBBDNUUXCN-CXAGYDPISA-N -1 0 325.364 2.510 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000909818941 727383687 /nfs/dbraw/zinc/38/36/87/727383687.db2.gz FGVHDYAZKFHEJR-QFBILLFUSA-N -1 0 349.427 2.873 20 30 EFEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909955533 727401281 /nfs/dbraw/zinc/40/12/81/727401281.db2.gz RVXOJZVZKMLPTE-AWEZNQCLSA-N -1 0 338.201 2.885 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)C(=O)[O-] ZINC000910052656 727406095 /nfs/dbraw/zinc/40/60/95/727406095.db2.gz DYYWJZUQJLJNHC-HNNXBMFYSA-N -1 0 341.363 2.682 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000910053030 727406104 /nfs/dbraw/zinc/40/61/04/727406104.db2.gz MVBSXOVTRZLYAF-KSSFIOAISA-N -1 0 338.407 2.921 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054531 727406170 /nfs/dbraw/zinc/40/61/70/727406170.db2.gz PNZYFVPYCVLYBI-LXKVQUBZSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055186 727406176 /nfs/dbraw/zinc/40/61/76/727406176.db2.gz ZCLOYECIQPOLCG-GFCCVEGCSA-N -1 0 327.302 2.576 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC000910055121 727406193 /nfs/dbraw/zinc/40/61/93/727406193.db2.gz XRUBTHBRQPPXLS-OAHLLOKOSA-N -1 0 342.420 2.508 20 30 EFEDRM C#CC[C@H](NC(=O)c1c(C)cc(C)c(Br)c1C)C(=O)[O-] ZINC000910048803 727408113 /nfs/dbraw/zinc/40/81/13/727408113.db2.gz OVRJCUWJCDVIKW-NSHDSACASA-N -1 0 338.201 2.581 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104731 727412720 /nfs/dbraw/zinc/41/27/20/727412720.db2.gz WXZHEKIDBJMKNW-HNAYVOBHSA-N -1 0 331.412 2.656 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910577332 727451440 /nfs/dbraw/zinc/45/14/40/727451440.db2.gz BLSXKBRNQLTOOH-IUODEOHRSA-N -1 0 331.368 2.526 20 30 EFEDRM C#CCCCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910709677 727458373 /nfs/dbraw/zinc/45/83/73/727458373.db2.gz FUFGSVMHEHMNKL-AWEZNQCLSA-N -1 0 338.201 2.837 20 30 EFEDRM C#Cc1cncc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000910721448 727459622 /nfs/dbraw/zinc/45/96/22/727459622.db2.gz LNEDHJMCGWASQY-CYBMUJFWSA-N -1 0 341.392 2.503 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910728963 727460053 /nfs/dbraw/zinc/46/00/53/727460053.db2.gz FPSXYRXBFHKCAC-CMPLNLGQSA-N -1 0 338.429 2.794 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(N2CCC(C)=N2)cc1)C(=O)[O-] ZINC000910914169 727471626 /nfs/dbraw/zinc/47/16/26/727471626.db2.gz CRXJYVCHUJBAKG-INIZCTEOSA-N -1 0 329.400 2.812 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cn1c(CC)nc2ccccc21)C(=O)[O-] ZINC000910914461 727471778 /nfs/dbraw/zinc/47/17/78/727471778.db2.gz HJXNSLTZINYNDE-CQSZACIVSA-N -1 0 329.400 2.524 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)[O-] ZINC000910914507 727471782 /nfs/dbraw/zinc/47/17/82/727471782.db2.gz LEUFUSUQTQYWFQ-OAHLLOKOSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000910914767 727471801 /nfs/dbraw/zinc/47/18/01/727471801.db2.gz ODUFTIJNGOHESH-ZDUSSCGKSA-N -1 0 334.397 2.871 20 30 EFEDRM C=CCCC[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000910916546 727471912 /nfs/dbraw/zinc/47/19/12/727471912.db2.gz XWNQOVGOAOYMRO-INIZCTEOSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(-c2ccccn2)s1)C(=O)[O-] ZINC000910915968 727471923 /nfs/dbraw/zinc/47/19/23/727471923.db2.gz RVLYCPYVBVSCNC-LBPRGKRZSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(-c2cccnc2)s1)C(=O)[O-] ZINC000910917482 727472031 /nfs/dbraw/zinc/47/20/31/727472031.db2.gz RDQJYPHKZLZGCT-LBPRGKRZSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(-c2cccnc2)s1)C(=O)[O-] ZINC000910917480 727472059 /nfs/dbraw/zinc/47/20/59/727472059.db2.gz RDQJYPHKZLZGCT-GFCCVEGCSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1cccc(OC)c1Cl)C(=O)[O-] ZINC000910923565 727472211 /nfs/dbraw/zinc/47/22/11/727472211.db2.gz SYLBZGRCRXEBIU-GFCCVEGCSA-N -1 0 325.792 2.817 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@H]1CCc2sccc2C1=O)C(=O)[O-] ZINC000910923856 727472242 /nfs/dbraw/zinc/47/22/42/727472242.db2.gz WGVHFXSIENOCBB-YPMHNXCESA-N -1 0 335.425 2.809 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(Nc2ccn(C)n2)cc1)C(=O)[O-] ZINC000910925155 727472330 /nfs/dbraw/zinc/47/23/30/727472330.db2.gz ICZTUBKGIIMKNI-OAHLLOKOSA-N -1 0 342.399 2.703 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000910925672 727472335 /nfs/dbraw/zinc/47/23/35/727472335.db2.gz NIEHIALKVRWJJH-BMFZPTHFSA-N -1 0 347.411 2.733 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2cccc(OC)c12)C(=O)[O-] ZINC000910927439 727472586 /nfs/dbraw/zinc/47/25/86/727472586.db2.gz YOIMKTAJFNDOAD-CQSZACIVSA-N -1 0 330.384 2.645 20 30 EFEDRM C#CC1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1 ZINC000911405961 727537029 /nfs/dbraw/zinc/53/70/29/727537029.db2.gz GLPJUEUMZPWULP-UHFFFAOYSA-N -1 0 336.185 2.633 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000911586261 727565938 /nfs/dbraw/zinc/56/59/38/727565938.db2.gz VDNPDYJBTVABLU-WFASDCNBSA-N -1 0 329.400 2.926 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000911748454 727592912 /nfs/dbraw/zinc/59/29/12/727592912.db2.gz RLXNBNWEQGRMHX-CVEARBPZSA-N -1 0 333.432 2.870 20 30 EFEDRM O=C1NCCN1c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000915978707 727644953 /nfs/dbraw/zinc/64/49/53/727644953.db2.gz INBHJQITFZFMQV-UHFFFAOYSA-N -1 0 326.312 2.581 20 30 EFEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000915983055 727645286 /nfs/dbraw/zinc/64/52/86/727645286.db2.gz OLNWCQIVTLYCFV-OAOMGELKSA-N -1 0 325.324 2.975 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1 ZINC000915988434 727645998 /nfs/dbraw/zinc/64/59/98/727645998.db2.gz WLTYEAVKURTWGD-VMPITWQZSA-N -1 0 337.379 2.600 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cc1 ZINC000915988435 727646032 /nfs/dbraw/zinc/64/60/32/727646032.db2.gz WLTYEAVKURTWGD-YVMONPNESA-N -1 0 337.379 2.600 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc(OC)c1O ZINC000915989640 727646059 /nfs/dbraw/zinc/64/60/59/727646059.db2.gz BDRFQASALXJMKQ-YVMONPNESA-N -1 0 342.347 2.933 20 30 EFEDRM CN(N=Cc1ccc(C(=O)[O-])cc1)C(=S)NCc1ccccc1 ZINC000916278153 727672856 /nfs/dbraw/zinc/67/28/56/727672856.db2.gz COBODWOVIPAJDC-UHFFFAOYSA-N -1 0 327.409 2.725 20 30 EFEDRM COC[C@@H](C)NC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000916281836 727673529 /nfs/dbraw/zinc/67/35/29/727673529.db2.gz URWMOHNKPGLZBH-SSDOTTSWSA-N -1 0 336.244 2.532 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC000916312535 727676240 /nfs/dbraw/zinc/67/62/40/727676240.db2.gz CLBFNONQCKSCGX-UHFFFAOYSA-N -1 0 335.363 2.965 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccoc2C)C1=O ZINC000154019791 727691873 /nfs/dbraw/zinc/69/18/73/727691873.db2.gz BXEPJJIZICVOSX-QGZVFWFLSA-N -1 0 335.404 2.904 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(F)cc2c1C ZINC000916867577 727740170 /nfs/dbraw/zinc/74/01/70/727740170.db2.gz DMZGCMSVBGYIEX-CQSZACIVSA-N -1 0 346.358 2.746 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916875008 727740573 /nfs/dbraw/zinc/74/05/73/727740573.db2.gz ORRXSIVNMYSETM-OAHLLOKOSA-N -1 0 342.399 2.543 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000916947259 727745326 /nfs/dbraw/zinc/74/53/26/727745326.db2.gz XSPOCLTZCRPDFQ-CQSZACIVSA-N -1 0 344.802 2.681 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Nc2ncccn2)c1 ZINC000917040366 727756081 /nfs/dbraw/zinc/75/60/81/727756081.db2.gz FNVQQVUCXWFMPE-MRXNPFEDSA-N -1 0 349.394 2.601 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000156327506 727904430 /nfs/dbraw/zinc/90/44/30/727904430.db2.gz JTHBKMQWZRBYOT-UHFFFAOYSA-N -1 0 347.367 2.639 20 30 EFEDRM COCc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000045099921 727972684 /nfs/dbraw/zinc/97/26/84/727972684.db2.gz DXFXAAMKPMXMLN-UHFFFAOYSA-N -1 0 337.372 2.807 20 30 EFEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000057740113 728102949 /nfs/dbraw/zinc/10/29/49/728102949.db2.gz LKHHWAQTAYQNAJ-QMMMGPOBSA-N -1 0 327.431 2.547 20 30 EFEDRM O=C(COCCc1ccccc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000057748644 728106976 /nfs/dbraw/zinc/10/69/76/728106976.db2.gz IICDFMBWPFUWCB-UHFFFAOYSA-N -1 0 325.430 2.865 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000058061952 728136018 /nfs/dbraw/zinc/13/60/18/728136018.db2.gz TYHMDMCRMDZYIR-LLVKDONJSA-N -1 0 341.820 2.913 20 30 EFEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000058067058 728136754 /nfs/dbraw/zinc/13/67/54/728136754.db2.gz FUQITAOXTIUYRK-UHFFFAOYSA-N -1 0 346.474 2.652 20 30 EFEDRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058103611 728143699 /nfs/dbraw/zinc/14/36/99/728143699.db2.gz UCLDHXPHSFTLRW-UHFFFAOYSA-N -1 0 339.760 2.583 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cc(F)ccc1F ZINC000058152578 728147129 /nfs/dbraw/zinc/14/71/29/728147129.db2.gz NMMZMYHKQCGSBZ-UHFFFAOYSA-N -1 0 346.742 2.848 20 30 EFEDRM C=CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058848395 728234644 /nfs/dbraw/zinc/23/46/44/728234644.db2.gz LCVSGBVZLVAOSE-UHFFFAOYSA-N -1 0 335.356 2.969 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)cc1 ZINC000077941984 728282485 /nfs/dbraw/zinc/28/24/85/728282485.db2.gz GUIVCRHBXBFVRW-UHFFFAOYSA-N -1 0 342.760 2.585 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000046929923 728324763 /nfs/dbraw/zinc/32/47/63/728324763.db2.gz YRHVVJOUZIZNBE-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2)cc1 ZINC000046927188 728325446 /nfs/dbraw/zinc/32/54/46/728325446.db2.gz PNHRQWHIUDSOMA-UHFFFAOYSA-N -1 0 332.381 2.647 20 30 EFEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000046927648 728325692 /nfs/dbraw/zinc/32/56/92/728325692.db2.gz HHSFCIWOPCXJBD-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000046927593 728325812 /nfs/dbraw/zinc/32/58/12/728325812.db2.gz RHZPMKUSALJWJU-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000076758790 728382666 /nfs/dbraw/zinc/38/26/66/728382666.db2.gz OZFFRJLSOWGIBP-UHFFFAOYSA-N -1 0 346.836 2.682 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000171105763 728514612 /nfs/dbraw/zinc/51/46/12/728514612.db2.gz YLVQIHGTBZRZHR-CYBMUJFWSA-N -1 0 345.399 2.720 20 30 EFEDRM CC(C)c1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000171146033 728519514 /nfs/dbraw/zinc/51/95/14/728519514.db2.gz HLWBUZXFUIADGS-CYBMUJFWSA-N -1 0 327.409 2.905 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1Cl ZINC000171407945 728533637 /nfs/dbraw/zinc/53/36/37/728533637.db2.gz YKSWRJDGEQRXON-UHFFFAOYSA-N -1 0 348.811 2.780 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1nccc2ccccc21 ZINC000172020380 728563123 /nfs/dbraw/zinc/56/31/23/728563123.db2.gz ICTZHTCNLAPJTR-QGZVFWFLSA-N -1 0 329.359 2.874 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(F)c(Br)c1 ZINC000173935347 728640903 /nfs/dbraw/zinc/64/09/03/728640903.db2.gz SDOUMJNYWRJQLK-SNVBAGLBSA-N -1 0 339.164 2.533 20 30 EFEDRM CCNC(=O)CCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000173915664 728642214 /nfs/dbraw/zinc/64/22/14/728642214.db2.gz RLILHAGRYSAWFG-CQSZACIVSA-N -1 0 339.395 2.674 20 30 EFEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NCCOC)o2)cc1 ZINC000173958595 728642816 /nfs/dbraw/zinc/64/28/16/728642816.db2.gz QEMKUKQIRQORTD-HNNXBMFYSA-N -1 0 340.379 2.594 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCC2CCCC2)c1 ZINC000174147807 728650857 /nfs/dbraw/zinc/65/08/57/728650857.db2.gz GMQLQJCTSRRCFG-UHFFFAOYSA-N -1 0 334.441 2.865 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1 ZINC000154960395 729016920 /nfs/dbraw/zinc/01/69/20/729016920.db2.gz JTDNSVIXRQMKPK-KRWDZBQOSA-N -1 0 340.354 2.516 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(C)c2)cc1 ZINC000154971406 729020071 /nfs/dbraw/zinc/02/00/71/729020071.db2.gz SIKSYKAZSUKSGI-GOSISDBHSA-N -1 0 336.391 2.685 20 30 EFEDRM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000069597543 729040007 /nfs/dbraw/zinc/04/00/07/729040007.db2.gz TYPVYISFVANLQK-UHFFFAOYSA-N -1 0 341.335 2.808 20 30 EFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604378 729047166 /nfs/dbraw/zinc/04/71/66/729047166.db2.gz YXLVFNPLDVSNFB-KBPBESRZSA-N -1 0 325.430 2.990 20 30 EFEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604376 729047191 /nfs/dbraw/zinc/04/71/91/729047191.db2.gz YXLVFNPLDVSNFB-UONOGXRCSA-N -1 0 325.430 2.990 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)cc2C)cc1 ZINC000155038020 729056383 /nfs/dbraw/zinc/05/63/83/729056383.db2.gz ZGDPMPPAZQWKMC-GOSISDBHSA-N -1 0 336.391 2.951 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000155036791 729059587 /nfs/dbraw/zinc/05/95/87/729059587.db2.gz RXNGUCODGPFFIW-SFHVURJKSA-N -1 0 336.391 2.896 20 30 EFEDRM CC(=NN[C@@H]1CCCC[C@H]1O)c1cccc(OCCCC(=O)[O-])c1 ZINC000901334781 729069132 /nfs/dbraw/zinc/06/91/32/729069132.db2.gz NDFOMFLBJQVICN-IAGOWNOFSA-N -1 0 334.416 2.547 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(F)c2)cc1 ZINC000155066556 729072690 /nfs/dbraw/zinc/07/26/90/729072690.db2.gz IGQVLVLCQJIQKJ-MRXNPFEDSA-N -1 0 340.354 2.782 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000130683680 729098024 /nfs/dbraw/zinc/09/80/24/729098024.db2.gz XAGZQSCUGHCTQE-LBPRGKRZSA-N -1 0 331.372 2.739 20 30 EFEDRM CCOC(=O)[C@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000920175077 729157385 /nfs/dbraw/zinc/15/73/85/729157385.db2.gz SYIXFXBCXMGYIE-JJBLJPBOSA-N -1 0 342.351 2.894 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(O)cc2)n1 ZINC000921249747 729280942 /nfs/dbraw/zinc/28/09/42/729280942.db2.gz AJCMHMIZIHPDNH-ZBKLQPJUSA-N -1 0 342.376 2.590 20 30 EFEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000175322410 729494577 /nfs/dbraw/zinc/49/45/77/729494577.db2.gz YKUSPJZPHNDZLK-HNQUOIGGSA-N -1 0 331.274 2.897 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1F ZINC000170848648 729512913 /nfs/dbraw/zinc/51/29/13/729512913.db2.gz KZAJNIBVOQPZHU-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000130786814 729595661 /nfs/dbraw/zinc/59/56/61/729595661.db2.gz KLFFQROGCFHBJX-QGZVFWFLSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000179740589 729619446 /nfs/dbraw/zinc/61/94/46/729619446.db2.gz HEQOPBOSASYCNO-LJQANCHMSA-N -1 0 349.390 2.956 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000179795879 729628151 /nfs/dbraw/zinc/62/81/51/729628151.db2.gz QFZZAWIYMXWHCN-HNNXBMFYSA-N -1 0 329.400 2.640 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000180730463 729766054 /nfs/dbraw/zinc/76/60/54/729766054.db2.gz JVLQVGSEUVHKPL-UHFFFAOYSA-N -1 0 333.331 2.704 20 30 EFEDRM C=CCCC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000737527961 939056638 /nfs/dbraw/zinc/05/66/38/939056638.db2.gz WOQSOQONWZTCRN-QGZVFWFLSA-N -1 0 345.374 2.836 20 30 EFEDRM C=C(Br)CNC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000797715541 939176298 /nfs/dbraw/zinc/17/62/98/939176298.db2.gz RBXMFRLSKTVAFT-GFCCVEGCSA-N -1 0 341.205 2.637 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000797742598 939204576 /nfs/dbraw/zinc/20/45/76/939204576.db2.gz CPFPABUARBWRNU-AWEZNQCLSA-N -1 0 330.365 2.708 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000797744659 939206819 /nfs/dbraw/zinc/20/68/19/939206819.db2.gz VIGTXZYJLVKLFT-IBGZPJMESA-N -1 0 338.363 2.820 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000797756806 939211258 /nfs/dbraw/zinc/21/12/58/939211258.db2.gz MQYVZDQIBDRRHI-HNNXBMFYSA-N -1 0 327.340 2.594 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746589 939266132 /nfs/dbraw/zinc/26/61/32/939266132.db2.gz YTEKVKZJEVUZOI-GWCFXTLKSA-N -1 0 345.317 2.929 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1)c1ccccc1 ZINC000929045833 939801773 /nfs/dbraw/zinc/80/17/73/939801773.db2.gz SBFAPJQMABIKRU-ULQDDVLXSA-N -1 0 346.427 2.873 20 30 EFEDRM Cc1ccc(OC(F)F)c(COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001611186094 970928575 /nfs/dbraw/zinc/92/85/75/970928575.db2.gz ACWXDXFUDVXWQX-OAHLLOKOSA-N -1 0 327.283 2.644 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001601078713 970928623 /nfs/dbraw/zinc/92/86/23/970928623.db2.gz WWWJZBXHUZCMLI-RBUKOAKNSA-N -1 0 348.402 2.622 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)ccc12 ZINC001601085180 970929317 /nfs/dbraw/zinc/92/93/17/970929317.db2.gz OWNMVKXHQJUWDW-QGZVFWFLSA-N -1 0 345.358 2.864 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1OC(F)(F)F ZINC001601090888 970931156 /nfs/dbraw/zinc/93/11/56/970931156.db2.gz YTNOQPZCSVOMJJ-DTWKUNHWSA-N -1 0 342.273 2.896 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001601093939 970931242 /nfs/dbraw/zinc/93/12/42/970931242.db2.gz JPLNNCGKTUWBIV-HNNXBMFYSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])cnc1C(F)(F)F ZINC001611295906 970981253 /nfs/dbraw/zinc/98/12/53/970981253.db2.gz UTOQIUHWHQGPPA-UHFFFAOYSA-N -1 0 349.268 2.851 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC001602684127 971278866 /nfs/dbraw/zinc/27/88/66/971278866.db2.gz QZXRMMAZBAUXOT-LBPRGKRZSA-N -1 0 328.343 2.769 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC001602686202 971286565 /nfs/dbraw/zinc/28/65/65/971286565.db2.gz UNHKLZDFXDBSQK-UHFFFAOYSA-N -1 0 336.391 2.626 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001602686205 971286666 /nfs/dbraw/zinc/28/66/66/971286666.db2.gz UUCSBBSLNOFXQZ-UHFFFAOYSA-N -1 0 348.830 2.881 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(Cl)c(C)cc1Br ZINC001602695497 971307356 /nfs/dbraw/zinc/30/73/56/971307356.db2.gz HQVFPAONNCCTLQ-UHFFFAOYSA-N -1 0 330.609 2.931 20 30 EFEDRM C=C1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)C1 ZINC001573296352 947043670 /nfs/dbraw/zinc/04/36/70/947043670.db2.gz NJXIZDFUTRHKSP-UHFFFAOYSA-N -1 0 333.351 2.671 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602709438 971345600 /nfs/dbraw/zinc/34/56/00/971345600.db2.gz AIVGPCBGKUMZDT-UHFFFAOYSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602712668 971357319 /nfs/dbraw/zinc/35/73/19/971357319.db2.gz XWXAMNYPTPHDTN-UHFFFAOYSA-N -1 0 346.456 2.808 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602718470 971373920 /nfs/dbraw/zinc/37/39/20/971373920.db2.gz NHZLJTYOVCPARY-QMMMGPOBSA-N -1 0 342.754 2.587 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)C1(C(=O)[O-])CCOCC1 ZINC001602722722 971388516 /nfs/dbraw/zinc/38/85/16/971388516.db2.gz JSBLKOUVEZGBDA-UHFFFAOYSA-N -1 0 343.832 2.798 20 30 EFEDRM C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602729679 971400360 /nfs/dbraw/zinc/40/03/60/971400360.db2.gz AXVSRERRTDWVRI-CYBMUJFWSA-N -1 0 346.456 2.612 20 30 EFEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602730216 971407277 /nfs/dbraw/zinc/40/72/77/971407277.db2.gz XHHRJDWPNWNLEW-GFCCVEGCSA-N -1 0 332.791 2.695 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602730280 971408149 /nfs/dbraw/zinc/40/81/49/971408149.db2.gz ZIUXXASPYCCLHX-UHFFFAOYSA-N -1 0 332.429 2.802 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 ZINC001589591973 949096330 /nfs/dbraw/zinc/09/63/30/949096330.db2.gz UVSNBSQCXKZDQF-JBVUFVISSA-N -1 0 329.396 2.837 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC001589596313 949148634 /nfs/dbraw/zinc/14/86/34/949148634.db2.gz KMLCOSBIVFNZJH-VQIMIIECSA-N -1 0 341.411 2.832 20 30 EFEDRM C=C(Br)CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000161482989 949384284 /nfs/dbraw/zinc/38/42/84/949384284.db2.gz NFGNALIPNQMQGG-UHFFFAOYSA-N -1 0 327.178 2.734 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001589640088 949680247 /nfs/dbraw/zinc/68/02/47/949680247.db2.gz YIRFYUWCWPKJNO-LBPRGKRZSA-N -1 0 338.408 2.613 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(F)c1Br ZINC000231841907 949754548 /nfs/dbraw/zinc/75/45/48/949754548.db2.gz VQACHEKFCUTXRB-SECBINFHSA-N -1 0 327.153 2.761 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC001602815466 971617561 /nfs/dbraw/zinc/61/75/61/971617561.db2.gz WFCCVXUESRYTDE-AWEZNQCLSA-N -1 0 349.390 2.951 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589674235 949972532 /nfs/dbraw/zinc/97/25/32/949972532.db2.gz HJOCCGNHZFOTCR-IRXDYDNUSA-N -1 0 344.411 2.567 20 30 EFEDRM CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001589703356 950247951 /nfs/dbraw/zinc/24/79/51/950247951.db2.gz OJEIQARHLPCJJT-MRVPVSSYSA-N -1 0 329.278 2.904 20 30 EFEDRM O=C([O-])CC1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001594978409 950954927 /nfs/dbraw/zinc/95/49/27/950954927.db2.gz MPKLSUTWHIEIDO-UHFFFAOYSA-N -1 0 325.286 2.571 20 30 EFEDRM CCOc1ccc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OCC ZINC001592426148 951329349 /nfs/dbraw/zinc/32/93/49/951329349.db2.gz NGJJRIHGAWQJNO-KPZWWZAWSA-N -1 0 348.399 2.666 20 30 EFEDRM O=C([O-])CCNN=Cc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC001595060968 951516861 /nfs/dbraw/zinc/51/68/61/951516861.db2.gz UZVQBEQBSSRZSU-UHFFFAOYSA-N -1 0 327.171 2.577 20 30 EFEDRM O=C([O-])Cc1ccccc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001595138768 952069852 /nfs/dbraw/zinc/06/98/52/952069852.db2.gz ZODQJBCYDHLBFN-YFHOEESVSA-N -1 0 327.311 2.674 20 30 EFEDRM CCn1cc(C(=O)/C=C\c2ccc(N3CCC(C(=O)[O-])CC3)o2)cn1 ZINC001593664691 953820160 /nfs/dbraw/zinc/82/01/60/953820160.db2.gz IYNABUPNMNICPY-HYXAFXHYSA-N -1 0 343.383 2.693 20 30 EFEDRM C[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC001589325016 953893145 /nfs/dbraw/zinc/89/31/45/953893145.db2.gz FNJUOOHCJHKUST-WBMJQRKESA-N -1 0 332.425 2.503 20 30 EFEDRM CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1 ZINC001603002410 972045047 /nfs/dbraw/zinc/04/50/47/972045047.db2.gz PASPSQYKWLEZEN-SCLBCKFNSA-N -1 0 347.415 2.516 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-] ZINC001603005164 972055834 /nfs/dbraw/zinc/05/58/34/972055834.db2.gz UWVPZLPWPNNSOT-ZDUSSCGKSA-N -1 0 332.375 2.592 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001589478027 954966014 /nfs/dbraw/zinc/96/60/14/954966014.db2.gz WRSKFZBWRTWVHW-UHFFFAOYSA-N -1 0 340.177 2.545 20 30 EFEDRM CC[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001589547184 955205996 /nfs/dbraw/zinc/20/59/96/955205996.db2.gz UUQDEMIKGFLMEU-OAHLLOKOSA-N -1 0 337.379 2.714 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000780568513 955341942 /nfs/dbraw/zinc/34/19/42/955341942.db2.gz MAFSODDRCLEQRS-QGZVFWFLSA-N -1 0 338.363 2.516 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001594506302 955361487 /nfs/dbraw/zinc/36/14/87/955361487.db2.gz JZNQGYSYUKMBBR-AWEZNQCLSA-N -1 0 326.352 2.666 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000817859991 955370302 /nfs/dbraw/zinc/37/03/02/955370302.db2.gz XQZKUIJIUSROCU-AGIUHOORSA-N -1 0 331.372 2.552 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccsc2)n1 ZINC000819873808 955461283 /nfs/dbraw/zinc/46/12/83/955461283.db2.gz DGNZWSNKPZNLOE-AWEZNQCLSA-N -1 0 336.394 2.919 20 30 EFEDRM CC(C)C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001603048075 972112226 /nfs/dbraw/zinc/11/22/26/972112226.db2.gz DIXNSVPERUHJDH-INIZCTEOSA-N -1 0 332.400 2.723 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000843320113 955626945 /nfs/dbraw/zinc/62/69/45/955626945.db2.gz FFRAGJLYFWDOOG-YNEHKIRRSA-N -1 0 331.372 2.552 20 30 EFEDRM C[C@](CNC(=O)Nc1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589055986 955695695 /nfs/dbraw/zinc/69/56/95/955695695.db2.gz FXKHXMSZRUUGSF-GOSISDBHSA-N -1 0 341.342 2.861 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000848580254 955751687 /nfs/dbraw/zinc/75/16/87/955751687.db2.gz ZUPZCKXTEQGCTF-HOCLYGCPSA-N -1 0 347.415 2.524 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000848580250 955751698 /nfs/dbraw/zinc/75/16/98/955751698.db2.gz ZUPZCKXTEQGCTF-GDBMZVCRSA-N -1 0 347.415 2.524 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1F ZINC000848591861 955764901 /nfs/dbraw/zinc/76/49/01/955764901.db2.gz YZUCMJFIFZMQMT-TZMCWYRMSA-N -1 0 340.782 2.809 20 30 EFEDRM C[C@](CNc1ccc([N+](=O)[O-])c(N)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072197 955783137 /nfs/dbraw/zinc/78/31/37/955783137.db2.gz PPWCWXMJRXNHPH-QGZVFWFLSA-N -1 0 340.339 2.503 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000851649896 955791602 /nfs/dbraw/zinc/79/16/02/955791602.db2.gz XQQQDUZLBZCLCE-HNNXBMFYSA-N -1 0 346.427 2.635 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589079561 955842340 /nfs/dbraw/zinc/84/23/40/955842340.db2.gz SMVWSBWUYJAWSL-OSRSDYAFSA-N -1 0 342.439 2.988 20 30 EFEDRM C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114740 956085209 /nfs/dbraw/zinc/08/52/09/956085209.db2.gz VCWGFGLDGZKDIP-INTQDDNPSA-N -1 0 336.338 2.702 20 30 EFEDRM C[C@@](NC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589117562 956104293 /nfs/dbraw/zinc/10/42/93/956104293.db2.gz LZWFVQCGLRSOQE-KRWDZBQOSA-N -1 0 328.755 2.941 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC001594600908 956127434 /nfs/dbraw/zinc/12/74/34/956127434.db2.gz CORYJAZEFGVPHF-GHMZBOCLSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC001594600911 956127748 /nfs/dbraw/zinc/12/77/48/956127748.db2.gz CORYJAZEFGVPHF-QWRGUYRKSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594602088 956143189 /nfs/dbraw/zinc/14/31/89/956143189.db2.gz UFVBKNRKHFWRCV-RDJZCZTQSA-N -1 0 349.346 2.510 20 30 EFEDRM N#C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(C(F)(F)F)c1 ZINC001594602405 956146980 /nfs/dbraw/zinc/14/69/80/956146980.db2.gz WRFGLABCTNZLOY-GFCCVEGCSA-N -1 0 338.285 2.807 20 30 EFEDRM N#C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(C(F)(F)F)c1 ZINC001594602416 956147020 /nfs/dbraw/zinc/14/70/20/956147020.db2.gz WRFGLABCTNZLOY-LBPRGKRZSA-N -1 0 338.285 2.807 20 30 EFEDRM N#CC1(c2ccc(COC(=O)C3(CC(=O)[O-])CCOCC3)cc2)CC1 ZINC001594602527 956148320 /nfs/dbraw/zinc/14/83/20/956148320.db2.gz OVEYVTCVMWASRO-UHFFFAOYSA-N -1 0 343.379 2.556 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594602742 956151059 /nfs/dbraw/zinc/15/10/59/956151059.db2.gz ZKKYWBUEUJVLLI-YLFCFFPRSA-N -1 0 326.396 2.786 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594602746 956151363 /nfs/dbraw/zinc/15/13/63/956151363.db2.gz ZKKYWBUEUJVLLI-YVSFHVDLSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC001594605731 956170299 /nfs/dbraw/zinc/17/02/99/956170299.db2.gz HQHCFAZPBOPXML-DLBZAZTESA-N -1 0 343.427 2.798 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC001594605735 956171057 /nfs/dbraw/zinc/17/10/57/956171057.db2.gz HQHCFAZPBOPXML-IAGOWNOFSA-N -1 0 343.427 2.798 20 30 EFEDRM N#CC[C@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(F)(F)F ZINC001594606032 956175927 /nfs/dbraw/zinc/17/59/27/956175927.db2.gz MZNLQRUOPHFHDE-PWSUYJOCSA-N -1 0 345.321 2.515 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001594609130 956189838 /nfs/dbraw/zinc/18/98/38/956189838.db2.gz QIABPBBMEKRYTR-BBRMVZONSA-N -1 0 346.383 2.578 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594610312 956201256 /nfs/dbraw/zinc/20/12/56/956201256.db2.gz UVQZCCWXXCOSLY-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001594610693 956205671 /nfs/dbraw/zinc/20/56/71/956205671.db2.gz BRELVGQGPDNQAO-UHFFFAOYSA-N -1 0 342.376 2.837 20 30 EFEDRM N#CCn1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC001594611268 956211907 /nfs/dbraw/zinc/21/19/07/956211907.db2.gz PZSUJTVBJMTLRK-AWEZNQCLSA-N -1 0 339.395 2.882 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594612010 956224752 /nfs/dbraw/zinc/22/47/52/956224752.db2.gz SWNMJWKORPJYJA-MRXNPFEDSA-N -1 0 345.358 2.864 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001594616008 956237123 /nfs/dbraw/zinc/23/71/23/956237123.db2.gz KULCEJPGWSTRBV-OAHLLOKOSA-N -1 0 327.315 2.515 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(OCC(=O)[O-])c2)nc2ccccc12 ZINC001594616339 956239451 /nfs/dbraw/zinc/23/94/51/956239451.db2.gz QRZOAYXEXHIYLK-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594618086 956258688 /nfs/dbraw/zinc/25/86/88/956258688.db2.gz BZSHIDLOEDVEAB-MSOLQXFVSA-N -1 0 334.375 2.920 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594618746 956266468 /nfs/dbraw/zinc/26/64/68/956266468.db2.gz ZCQSYGFLCYYEFQ-KRWDZBQOSA-N -1 0 347.374 2.896 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594627717 956324229 /nfs/dbraw/zinc/32/42/29/956324229.db2.gz UDWLRGMIVXKXEI-LSDHHAIUSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001594627668 956324573 /nfs/dbraw/zinc/32/45/73/956324573.db2.gz SOYBBTBPELCVTO-AWEZNQCLSA-N -1 0 332.425 2.754 20 30 EFEDRM N#Cc1cccc(OCC(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001594628433 956331159 /nfs/dbraw/zinc/33/11/59/956331159.db2.gz SPPDVMPSUZMZCV-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594628554 956332044 /nfs/dbraw/zinc/33/20/44/956332044.db2.gz CAVKKVWKLQPTFZ-QZEKMECESA-N -1 0 332.359 2.782 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cn2)c1 ZINC001594628594 956333395 /nfs/dbraw/zinc/33/33/95/956333395.db2.gz FJMIXNVUILVGRR-HUUCEWRRSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001594632713 956352600 /nfs/dbraw/zinc/35/26/00/956352600.db2.gz AEGQKCYAMGFLMD-GFCCVEGCSA-N -1 0 341.754 2.825 20 30 EFEDRM O=C([O-])c1ncccc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594667541 956591006 /nfs/dbraw/zinc/59/10/06/956591006.db2.gz LPGONLFRIDVPTF-UHFFFAOYSA-N -1 0 334.253 2.789 20 30 EFEDRM CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001589191298 956594903 /nfs/dbraw/zinc/59/49/03/956594903.db2.gz OALKRLGBISFCFA-INIZCTEOSA-N -1 0 341.411 2.832 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C\C(=O)c3ccncc3)o2)CC1 ZINC001594675096 956652716 /nfs/dbraw/zinc/65/27/16/956652716.db2.gz OYKASUGWNDWJMX-IWQZZHSRSA-N -1 0 326.352 2.872 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001603127777 972221692 /nfs/dbraw/zinc/22/16/92/972221692.db2.gz ZTPKWEUCTJTMAL-CYBMUJFWSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000013388553 957041531 /nfs/dbraw/zinc/04/15/31/957041531.db2.gz CFRBJXOYZJOEBL-BXUZGUMPSA-N -1 0 344.392 2.719 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016406642 957098545 /nfs/dbraw/zinc/09/85/45/957098545.db2.gz SXGFSUSBUWHGHB-RMKNXTFCSA-N -1 0 327.292 2.954 20 30 EFEDRM C=C(C)[C@@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001340553716 957929876 /nfs/dbraw/zinc/92/98/76/957929876.db2.gz NZSSFRAXKIAZDD-QMTHXVAHSA-N -1 0 326.343 2.992 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594049094 957960474 /nfs/dbraw/zinc/96/04/74/957960474.db2.gz CZEQQAGINIQBLA-ZDUSSCGKSA-N -1 0 333.388 2.968 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC001588385295 957969645 /nfs/dbraw/zinc/96/96/45/957969645.db2.gz CPCDSAJRHUIYQA-HNKHHVNMSA-N -1 0 328.412 2.796 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588386384 957978515 /nfs/dbraw/zinc/97/85/15/957978515.db2.gz QFKSBCCOOSOBIN-BZSNNMDCSA-N -1 0 334.375 2.973 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC001588388607 957996249 /nfs/dbraw/zinc/99/62/49/957996249.db2.gz VMTCNMSTLRBGRK-DFBGVHRSSA-N -1 0 334.803 2.767 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001594311677 958032404 /nfs/dbraw/zinc/03/24/04/958032404.db2.gz YNYCVSKLKOOZLA-UHFFFAOYSA-N -1 0 326.327 2.932 20 30 EFEDRM C#CCCOc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001588395980 958045436 /nfs/dbraw/zinc/04/54/36/958045436.db2.gz NJXNIKGDUVWZCM-UHFFFAOYSA-N -1 0 329.396 2.996 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001588397548 958059271 /nfs/dbraw/zinc/05/92/71/958059271.db2.gz LQTXUMXUYQAUIJ-UHFFFAOYSA-N -1 0 328.195 2.817 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC001588402307 958090458 /nfs/dbraw/zinc/09/04/58/958090458.db2.gz QNVZYQDFIFZMEP-UHFFFAOYSA-N -1 0 328.195 2.863 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001588409237 958124761 /nfs/dbraw/zinc/12/47/61/958124761.db2.gz CRGCMGYRVRXCPX-KRWDZBQOSA-N -1 0 332.375 2.786 20 30 EFEDRM COc1cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(F)cc1C#N ZINC001594065589 958128781 /nfs/dbraw/zinc/12/87/81/958128781.db2.gz LMNATBBXZSEKKT-NSCUHMNNSA-N -1 0 330.271 2.649 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC001588409802 958132796 /nfs/dbraw/zinc/13/27/96/958132796.db2.gz KNMXAQZTJZZDNY-CYBMUJFWSA-N -1 0 334.441 2.978 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588410217 958137002 /nfs/dbraw/zinc/13/70/02/958137002.db2.gz QSXWILCUTCZHAW-LLVKDONJSA-N -1 0 342.317 2.538 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC001588411097 958146365 /nfs/dbraw/zinc/14/63/65/958146365.db2.gz KDQICLSPPZHQAU-UHFFFAOYSA-N -1 0 329.381 2.670 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC001588412803 958153685 /nfs/dbraw/zinc/15/36/85/958153685.db2.gz KRHLZAZHYBXYTF-UHFFFAOYSA-N -1 0 343.427 2.927 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001588418464 958179394 /nfs/dbraw/zinc/17/93/94/958179394.db2.gz HHQHURZNZFGONT-UHFFFAOYSA-N -1 0 334.784 2.624 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCCC(=O)[O-] ZINC001594327991 958189990 /nfs/dbraw/zinc/18/99/90/958189990.db2.gz CTHCBDIUXDQODF-UHFFFAOYSA-N -1 0 340.339 2.650 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001357175929 958193125 /nfs/dbraw/zinc/19/31/25/958193125.db2.gz XROKJZVEILHFIC-CABCVRRESA-N -1 0 334.441 2.908 20 30 EFEDRM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603216037 972329553 /nfs/dbraw/zinc/32/95/53/972329553.db2.gz MXAYVEVNORHBIX-QCEMKRCNSA-N -1 0 328.412 2.935 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)Cc1ccccc1C(=O)[O-] ZINC001594331596 958230177 /nfs/dbraw/zinc/23/01/77/958230177.db2.gz QVKMUVSZLPRNDQ-UHFFFAOYSA-N -1 0 334.335 2.622 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001588432982 958289907 /nfs/dbraw/zinc/28/99/07/958289907.db2.gz IYEQZMKIRSEOOT-CQSZACIVSA-N -1 0 334.375 2.747 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588433892 958302251 /nfs/dbraw/zinc/30/22/51/958302251.db2.gz WLFTVLXRQMINLG-AWEZNQCLSA-N -1 0 330.384 2.807 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001594342884 958309554 /nfs/dbraw/zinc/30/95/54/958309554.db2.gz AQUYLBNNPRZTLU-VEAGFFOPSA-N -1 0 343.423 2.986 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001594342991 958312872 /nfs/dbraw/zinc/31/28/72/958312872.db2.gz KKMNXMAGHSBMGX-SJFMBGHLSA-N -1 0 337.375 2.850 20 30 EFEDRM C[C@H](NC(=O)/C=C/c1ccccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219264 972337482 /nfs/dbraw/zinc/33/74/82/972337482.db2.gz SPELCQFDXUFDJX-KHWCICNYSA-N -1 0 326.396 2.823 20 30 EFEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588442088 958341810 /nfs/dbraw/zinc/34/18/10/958341810.db2.gz GHPGAYOBKPZFKB-UHFFFAOYSA-N -1 0 330.388 2.805 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001573319535 958473589 /nfs/dbraw/zinc/47/35/89/958473589.db2.gz YBPMVLOAEVKBIM-CHWSQXEVSA-N -1 0 326.179 2.643 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001588460436 958474302 /nfs/dbraw/zinc/47/43/02/958474302.db2.gz GVCWSERZYMERMS-UHFFFAOYSA-N -1 0 337.441 2.871 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(C)C ZINC001588460897 958481408 /nfs/dbraw/zinc/48/14/08/958481408.db2.gz ZPKWTHFYIGWICR-UHFFFAOYSA-N -1 0 342.754 2.539 20 30 EFEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001573327099 958484356 /nfs/dbraw/zinc/48/43/56/958484356.db2.gz CVXZGIKPJASRGA-IUCAKERBSA-N -1 0 339.438 2.773 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC001573328118 958496283 /nfs/dbraw/zinc/49/62/83/958496283.db2.gz BBCTYFSBDXVFSJ-INIZCTEOSA-N -1 0 331.368 2.745 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001588466477 958513996 /nfs/dbraw/zinc/51/39/96/958513996.db2.gz SMNCIUDNTQAGHQ-FPLPWBNLSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC001588469621 958518382 /nfs/dbraw/zinc/51/83/82/958518382.db2.gz OLWVYSQKQOSUIU-BXUZGUMPSA-N -1 0 333.384 2.510 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2n1 ZINC001573336915 958519791 /nfs/dbraw/zinc/51/97/91/958519791.db2.gz HIXMXDTUMCEWCN-SFHVURJKSA-N -1 0 325.368 2.972 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001588470131 958522923 /nfs/dbraw/zinc/52/29/23/958522923.db2.gz FJAKXKIXKXCHRD-UKRRQHHQSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001588470132 958523010 /nfs/dbraw/zinc/52/30/10/958523010.db2.gz FJAKXKIXKXCHRD-ZFWWWQNUSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588473303 958549474 /nfs/dbraw/zinc/54/94/74/958549474.db2.gz XVNVEEQYXODZDX-UPJWGTAASA-N -1 0 336.461 2.579 20 30 EFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001573389980 958689596 /nfs/dbraw/zinc/68/95/96/958689596.db2.gz HAKYQRTWPWQQIR-ZDUSSCGKSA-N -1 0 341.329 2.920 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594390245 958705099 /nfs/dbraw/zinc/70/50/99/958705099.db2.gz HRHHBIHEGQENGT-PYUISTEWSA-N -1 0 341.338 2.659 20 30 EFEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594405861 958906817 /nfs/dbraw/zinc/90/68/17/958906817.db2.gz XXGFSKPOLDUVKY-INIZCTEOSA-N -1 0 336.347 2.963 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001588538794 958944734 /nfs/dbraw/zinc/94/47/34/958944734.db2.gz NSMRZYKZJMZCJM-HNNXBMFYSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Cl)nc2ccccc12 ZINC001588539857 958953941 /nfs/dbraw/zinc/95/39/41/958953941.db2.gz CLTPWSRSAQIAAP-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001588542340 958970580 /nfs/dbraw/zinc/97/05/80/958970580.db2.gz YCRRFGDEHPCOSM-LLVKDONJSA-N -1 0 333.291 2.637 20 30 EFEDRM C[C@H](C#N)C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588544033 958987223 /nfs/dbraw/zinc/98/72/23/958987223.db2.gz XZZJJGITOVXFJM-SCZZXKLOSA-N -1 0 337.173 2.514 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1C#N ZINC001594197128 959204823 /nfs/dbraw/zinc/20/48/23/959204823.db2.gz NDBQXOYVNBKPCQ-CQSZACIVSA-N -1 0 347.440 2.782 20 30 EFEDRM Cc1nc(-c2cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)cs1 ZINC001594443644 959310101 /nfs/dbraw/zinc/31/01/01/959310101.db2.gz LZQUKYXDDPXHHS-QGZVFWFLSA-N -1 0 343.408 2.739 20 30 EFEDRM C[C@H](C(=O)[O-])N(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001588593081 959366191 /nfs/dbraw/zinc/36/61/91/959366191.db2.gz WJASCXGINLLMMQ-LLVKDONJSA-N -1 0 327.302 2.874 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC001594224919 959413691 /nfs/dbraw/zinc/41/36/91/959413691.db2.gz SMQSXUZKLLEZGK-IMIVBSTGSA-N -1 0 327.167 2.785 20 30 EFEDRM C[C@](CNc1nc2ncccc2cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573602479 959453365 /nfs/dbraw/zinc/45/33/65/959453365.db2.gz WIKYFNSSMHBOGY-LJQANCHMSA-N -1 0 332.363 2.956 20 30 EFEDRM C=CC1CCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CC1 ZINC000191592439 959585415 /nfs/dbraw/zinc/58/54/15/959585415.db2.gz LFDSVVMDWVNSHE-UHFFFAOYSA-N -1 0 325.368 2.609 20 30 EFEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CSCC(=O)[O-])c1C#N ZINC001594253087 959629904 /nfs/dbraw/zinc/62/99/04/959629904.db2.gz OSTAGMNFILSSGD-UHFFFAOYSA-N -1 0 335.429 2.848 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001594258837 959672436 /nfs/dbraw/zinc/67/24/36/959672436.db2.gz JLBJGMUNVMUMLG-UHFFFAOYSA-N -1 0 326.337 2.755 20 30 EFEDRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C(C)C)ccc(Br)c1C#N ZINC001594263418 959724487 /nfs/dbraw/zinc/72/44/87/959724487.db2.gz RIPNSRJLVIAXJI-LBPRGKRZSA-N -1 0 339.189 2.925 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1C#N ZINC001574257068 960534915 /nfs/dbraw/zinc/53/49/15/960534915.db2.gz HJXBMLOCRQJTEA-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001574267141 960593055 /nfs/dbraw/zinc/59/30/55/960593055.db2.gz QXFDDWWRYFHPGJ-BXUZGUMPSA-N -1 0 339.313 2.911 20 30 EFEDRM Cc1cc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(C#N)cc1[N+](=O)[O-] ZINC001574332652 960894885 /nfs/dbraw/zinc/89/48/85/960894885.db2.gz CYJUEGYBBQUCTI-OAHLLOKOSA-N -1 0 337.335 2.963 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C#N ZINC001574367192 961045794 /nfs/dbraw/zinc/04/57/94/961045794.db2.gz AZVLHCORLOUEGC-INIZCTEOSA-N -1 0 329.400 2.796 20 30 EFEDRM CC(C)(CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588768026 961254267 /nfs/dbraw/zinc/25/42/67/961254267.db2.gz FDCXOXFTFLIGOQ-UHFFFAOYSA-N -1 0 327.302 2.674 20 30 EFEDRM CC(C)(c1nc(C2(C(=O)[O-])CCC2)no1)c1cc(F)cc(C#N)c1 ZINC001588794930 961373570 /nfs/dbraw/zinc/37/35/70/961373570.db2.gz WUWGFPZNXGMKFP-UHFFFAOYSA-N -1 0 329.331 2.913 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001588809359 961513306 /nfs/dbraw/zinc/51/33/06/961513306.db2.gz NJSSBZWFZKEYBN-AWEZNQCLSA-N -1 0 343.408 2.901 20 30 EFEDRM N#C[C@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001574479384 961648564 /nfs/dbraw/zinc/64/85/64/961648564.db2.gz HSDXKZMBPPXFAN-FBIMIBRVSA-N -1 0 349.184 2.514 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001574479926 961654011 /nfs/dbraw/zinc/65/40/11/961654011.db2.gz QQRJQJSLDCSBTA-BLLLJJGKSA-N -1 0 342.301 2.879 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001574485655 961677835 /nfs/dbraw/zinc/67/78/35/961677835.db2.gz JPRNKDDPZLRKII-QZTJIDSGSA-N -1 0 349.390 2.713 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574486091 961681058 /nfs/dbraw/zinc/68/10/58/961681058.db2.gz QIUFRHTUMRZPOS-CVEARBPZSA-N -1 0 338.363 2.920 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574486093 961681573 /nfs/dbraw/zinc/68/15/73/961681573.db2.gz QIUFRHTUMRZPOS-HOTGVXAUSA-N -1 0 338.363 2.920 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001574489177 961703104 /nfs/dbraw/zinc/70/31/04/961703104.db2.gz ZVFVUKPADAHGDL-LSDHHAIUSA-N -1 0 341.392 2.732 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001574489169 961703244 /nfs/dbraw/zinc/70/32/44/961703244.db2.gz ZVFVUKPADAHGDL-GJZGRUSLSA-N -1 0 341.392 2.732 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851395 961927707 /nfs/dbraw/zinc/92/77/07/961927707.db2.gz CTJOVUSXJMBMSZ-HOCLYGCPSA-N -1 0 329.400 2.592 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001588854647 961962620 /nfs/dbraw/zinc/96/26/20/961962620.db2.gz GWNMYHMSHHRBTC-AWEZNQCLSA-N -1 0 341.367 2.690 20 30 EFEDRM N#CCc1ccnc(NC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC001571167977 962013584 /nfs/dbraw/zinc/01/35/84/962013584.db2.gz PBIZEZIWAHFADA-UHFFFAOYSA-N -1 0 325.328 2.559 20 30 EFEDRM Cc1ncc(NC(=O)Nc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001571170786 962046896 /nfs/dbraw/zinc/04/68/96/962046896.db2.gz KTTSQFHCIOCIRX-UHFFFAOYSA-N -1 0 326.312 2.635 20 30 EFEDRM COc1ccc(NC(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1 ZINC001571171032 962051250 /nfs/dbraw/zinc/05/12/50/962051250.db2.gz OVCUPKAFIVSRAN-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)ccc1C#N ZINC001571171396 962056575 /nfs/dbraw/zinc/05/65/75/962056575.db2.gz XCQBGGCYFFXABB-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588871058 962082146 /nfs/dbraw/zinc/08/21/46/962082146.db2.gz LJCAUXRREGLLKL-WKILWMFISA-N -1 0 329.400 2.589 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001571175160 962095154 /nfs/dbraw/zinc/09/51/54/962095154.db2.gz DKWLOXJHROFEKD-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM C=CCCSCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001341326764 962127096 /nfs/dbraw/zinc/12/70/96/962127096.db2.gz PBRXZAHWEQHZDF-JKSUJKDBSA-N -1 0 348.468 2.806 20 30 EFEDRM CC(C)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588880862 962143667 /nfs/dbraw/zinc/14/36/67/962143667.db2.gz IEVFJKSTVBHDHU-CYBMUJFWSA-N -1 0 327.302 2.672 20 30 EFEDRM N#Cc1ccc(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001571180531 962152695 /nfs/dbraw/zinc/15/26/95/962152695.db2.gz AXYHUWILNJURCB-QGZVFWFLSA-N -1 0 328.412 2.888 20 30 EFEDRM CC(C)C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)CC(=O)[O-] ZINC001588887523 962185934 /nfs/dbraw/zinc/18/59/34/962185934.db2.gz MEQORWNYDGEWIN-YOEHRIQHSA-N -1 0 330.428 2.990 20 30 EFEDRM C=CCCC(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001344551241 962199358 /nfs/dbraw/zinc/19/93/58/962199358.db2.gz REHGGTWOWRXJJU-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1ccncc1 ZINC001571190169 962237166 /nfs/dbraw/zinc/23/71/66/962237166.db2.gz ATQLGYKSYRRHNF-HNNXBMFYSA-N -1 0 330.369 2.526 20 30 EFEDRM C=CCCC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000263121552 962272786 /nfs/dbraw/zinc/27/27/86/962272786.db2.gz VHSUURRVMOHVHD-CYBMUJFWSA-N -1 0 338.201 2.753 20 30 EFEDRM C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001571223659 962563458 /nfs/dbraw/zinc/56/34/58/962563458.db2.gz JMSXSGVJUBYPNP-JTQLQIEISA-N -1 0 335.326 2.507 20 30 EFEDRM C#CCCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001573301430 962625913 /nfs/dbraw/zinc/62/59/13/962625913.db2.gz BDHSLFXIILWOPK-SFHVURJKSA-N -1 0 337.375 2.687 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)C ZINC001573302128 962644638 /nfs/dbraw/zinc/64/46/38/962644638.db2.gz JSSBCCJSPPGAIH-NSHDSACASA-N -1 0 340.326 2.808 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc2nc(-c3ccccc3)oc2c1)C(=O)[O-] ZINC001573303971 962683234 /nfs/dbraw/zinc/68/32/34/962683234.db2.gz VAXSEECUVGDCSF-HNNXBMFYSA-N -1 0 334.331 2.701 20 30 EFEDRM C#CCN(CC)c1nnc([C@@H](C)CC)n1CC1CCN(C(=O)[O-])CC1 ZINC001573310622 962688524 /nfs/dbraw/zinc/68/85/24/962688524.db2.gz AFNRQQPTSINSIA-AWEZNQCLSA-N -1 0 347.463 2.641 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cn1 ZINC001573312504 962722488 /nfs/dbraw/zinc/72/24/88/962722488.db2.gz WAISRPHPIQQSRR-SFHVURJKSA-N -1 0 342.782 2.532 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001573319009 962745361 /nfs/dbraw/zinc/74/53/61/962745361.db2.gz TYTLHNIGOBBOMC-CYBMUJFWSA-N -1 0 332.718 2.677 20 30 EFEDRM C#CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001573317517 962745875 /nfs/dbraw/zinc/74/58/75/962745875.db2.gz CKFDOWGILFHZLH-BFYDXBDKSA-N -1 0 326.396 2.572 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC001573320024 962749223 /nfs/dbraw/zinc/74/92/23/962749223.db2.gz BZCAPUCRVYXSGF-NSHDSACASA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)C(=O)[O-] ZINC001573321671 962760429 /nfs/dbraw/zinc/76/04/29/962760429.db2.gz PIJDZITYZQEGQD-HNNXBMFYSA-N -1 0 347.802 2.734 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001573321552 962760635 /nfs/dbraw/zinc/76/06/35/962760635.db2.gz OSNHTBZYGHVFEY-CQSZACIVSA-N -1 0 333.384 2.791 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-])OCC ZINC001573322223 962767701 /nfs/dbraw/zinc/76/77/01/962767701.db2.gz WAQXPVVYENVMLL-LBPRGKRZSA-N -1 0 331.372 2.581 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc2cc(C)ccc2c1)C(=O)[O-] ZINC001573323569 962774621 /nfs/dbraw/zinc/77/46/21/962774621.db2.gz DDSLCNJXSARAOV-INIZCTEOSA-N -1 0 333.409 2.846 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001517365174 962775226 /nfs/dbraw/zinc/77/52/26/962775226.db2.gz ONTVATZPWUZHRH-BFHYXJOUSA-N -1 0 339.338 2.927 20 30 EFEDRM C=C(C)C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC001573324647 962789309 /nfs/dbraw/zinc/78/93/09/962789309.db2.gz WOZWMHWJUUNUBN-AWEZNQCLSA-N -1 0 326.312 2.846 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001573325132 962792126 /nfs/dbraw/zinc/79/21/26/962792126.db2.gz DSBRPOKVKRAYDH-HNNXBMFYSA-N -1 0 331.347 2.518 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)c1ccccc1 ZINC001517434824 962797463 /nfs/dbraw/zinc/79/74/63/962797463.db2.gz UMNPWLHZHGSSAT-BZSNNMDCSA-N -1 0 345.439 2.980 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588989497 962798866 /nfs/dbraw/zinc/79/88/66/962798866.db2.gz LIVBSZRGZVQRHP-VIFPVBQESA-N -1 0 330.369 2.754 20 30 EFEDRM C=CCCOCCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573328195 962809089 /nfs/dbraw/zinc/80/90/89/962809089.db2.gz CKAPIBCILWWZAG-KRWDZBQOSA-N -1 0 331.412 2.960 20 30 EFEDRM C=CCCOCCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573328197 962809332 /nfs/dbraw/zinc/80/93/32/962809332.db2.gz CKAPIBCILWWZAG-QGZVFWFLSA-N -1 0 331.412 2.960 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(Br)c1OC)C(=O)[O-] ZINC001520173067 962826300 /nfs/dbraw/zinc/82/63/00/962826300.db2.gz IBMCSAKJQMNGIL-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001573332205 962827426 /nfs/dbraw/zinc/82/74/26/962827426.db2.gz FLRFVLAUPYDEMF-JTQLQIEISA-N -1 0 349.774 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(F)cc1Br ZINC001573332343 962831361 /nfs/dbraw/zinc/83/13/61/962831361.db2.gz HRBQBEGZIYEVJC-UHFFFAOYSA-N -1 0 330.153 2.625 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC001573333070 962850010 /nfs/dbraw/zinc/85/00/10/962850010.db2.gz UALGUWXLOPCUCH-UHFFFAOYSA-N -1 0 330.167 2.713 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(OC)cc2c(OC)ccnc12 ZINC001573336833 962862374 /nfs/dbraw/zinc/86/23/74/962862374.db2.gz HFFPFBVSHXMIIU-UHFFFAOYSA-N -1 0 330.340 2.612 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccncc1OCc1ccccc1 ZINC001573338175 962873867 /nfs/dbraw/zinc/87/38/67/962873867.db2.gz ZBUPEBMSZJLZBW-UHFFFAOYSA-N -1 0 340.379 2.698 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001573338810 962881686 /nfs/dbraw/zinc/88/16/86/962881686.db2.gz JKKCNJVKBIWQSQ-UHFFFAOYSA-N -1 0 335.356 2.620 20 30 EFEDRM C=C(Cl)Cn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1C(C)(C)C ZINC001573343735 962907985 /nfs/dbraw/zinc/90/79/85/962907985.db2.gz JJAJDZVDPLGBEA-LLVKDONJSA-N -1 0 326.828 2.629 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001573347457 962947496 /nfs/dbraw/zinc/94/74/96/962947496.db2.gz KTWHRLQOLMFMHX-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001573347824 962952185 /nfs/dbraw/zinc/95/21/85/962952185.db2.gz OTEAHHRYAGQDHI-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001573347994 962954153 /nfs/dbraw/zinc/95/41/53/962954153.db2.gz RKVHRROZXNPUPG-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001573348287 962956988 /nfs/dbraw/zinc/95/69/88/962956988.db2.gz UUTPBUFXONHROK-SFHVURJKSA-N -1 0 329.400 2.598 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573352410 962986380 /nfs/dbraw/zinc/98/63/80/962986380.db2.gz BJHTYZGZSZIDJZ-NHYWBVRUSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001573353214 962999800 /nfs/dbraw/zinc/99/98/00/962999800.db2.gz RRPXKZSXMZAUPH-UHFFFAOYSA-N -1 0 347.383 2.934 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573356572 963008001 /nfs/dbraw/zinc/00/80/01/963008001.db2.gz DWFCBXPNIGNHOC-GFCCVEGCSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])c1ccccc1 ZINC001573356933 963010017 /nfs/dbraw/zinc/01/00/17/963010017.db2.gz GXWWFOJLZMZRDL-DLBZAZTESA-N -1 0 341.411 2.662 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001573357010 963011584 /nfs/dbraw/zinc/01/15/84/963011584.db2.gz IRPQXOUNXKUXDU-SAAWKEMMSA-N -1 0 335.425 2.904 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001573357008 963012160 /nfs/dbraw/zinc/01/21/60/963012160.db2.gz IRPQXOUNXKUXDU-LMRWQKIVSA-N -1 0 335.425 2.904 20 30 EFEDRM C=CCCC[C@@H](NC(=O)COc1ccc(F)cc1Cl)C(=O)[O-] ZINC001573357771 963021418 /nfs/dbraw/zinc/02/14/18/963021418.db2.gz SFUNGJNPEJDXFN-GFCCVEGCSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001573358324 963026288 /nfs/dbraw/zinc/02/62/88/963026288.db2.gz YJDBKODHOKNUMK-LBPRGKRZSA-N -1 0 333.281 2.982 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573360041 963030261 /nfs/dbraw/zinc/03/02/61/963030261.db2.gz DRWIECIADXRGFF-LBPRGKRZSA-N -1 0 344.367 2.618 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(=O)[O-] ZINC001573364696 963049900 /nfs/dbraw/zinc/04/99/00/963049900.db2.gz APRMMGZGVQTXDU-CQSZACIVSA-N -1 0 345.374 2.925 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(Br)c1N)C(=O)[O-] ZINC001573365698 963055832 /nfs/dbraw/zinc/05/58/32/963055832.db2.gz HNZVJPQQOCLMLZ-LLVKDONJSA-N -1 0 341.205 2.571 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2)C(=O)[O-] ZINC001573366708 963061198 /nfs/dbraw/zinc/06/11/98/963061198.db2.gz PAAXOPRLALQVLH-LRDDRELGSA-N -1 0 346.427 2.841 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)no1)C(=O)[O-] ZINC001573367431 963065499 /nfs/dbraw/zinc/06/54/99/963065499.db2.gz VRWPIIJVZCVMCG-CQSZACIVSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)no1)C(=O)[O-] ZINC001573367430 963065775 /nfs/dbraw/zinc/06/57/75/963065775.db2.gz VRWPIIJVZCVMCG-AWEZNQCLSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCCCCCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001573367644 963069109 /nfs/dbraw/zinc/06/91/09/963069109.db2.gz YTKYWVFXROIXCY-KRWDZBQOSA-N -1 0 337.420 2.528 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001573368566 963082742 /nfs/dbraw/zinc/08/27/42/963082742.db2.gz OFLPWTIFICVSIY-UHFFFAOYSA-N -1 0 341.411 2.930 20 30 EFEDRM C#C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311681628 963502699 /nfs/dbraw/zinc/50/26/99/963502699.db2.gz BMKBDUFVLNZSFY-QMMMGPOBSA-N -1 0 325.162 2.599 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000314276281 963733874 /nfs/dbraw/zinc/73/38/74/963733874.db2.gz VSUQOJSTAADEPV-UHFFFAOYSA-N -1 0 325.411 2.796 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588443631 964061437 /nfs/dbraw/zinc/06/14/37/964061437.db2.gz VDLLHQRJDZITJG-CXAGYDPISA-N -1 0 331.420 2.562 20 30 EFEDRM C#CCCCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588446564 964076635 /nfs/dbraw/zinc/07/66/35/964076635.db2.gz PHRINYFKYKCVQV-UHFFFAOYSA-N -1 0 325.162 2.682 20 30 EFEDRM C#CCCCc1nnc(N(C)Cc2ccc(C(=O)[O-])cc2)n1CC ZINC001588446817 964079282 /nfs/dbraw/zinc/07/92/82/964079282.db2.gz LQZYSBHYMANDKW-UHFFFAOYSA-N -1 0 326.400 2.589 20 30 EFEDRM C#CCN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000233445006 967748340 /nfs/dbraw/zinc/74/83/40/967748340.db2.gz UBUDNXGKZDLEDK-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM CSc1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C#N ZINC000898871485 969417217 /nfs/dbraw/zinc/41/72/17/969417217.db2.gz MOGVXHLDQMTPBF-BXUZGUMPSA-N -1 0 347.440 2.532 20 30 EFEDRM CSc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000898869615 969417238 /nfs/dbraw/zinc/41/72/38/969417238.db2.gz IYRSHELANYLIFN-RISCZKNCSA-N -1 0 347.440 2.532 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)cc2n1 ZINC000899317745 969420089 /nfs/dbraw/zinc/42/00/89/969420089.db2.gz PGZNELODBIRZHP-UHFFFAOYSA-N -1 0 342.399 2.941 20 30 EFEDRM N#Cc1cc(N2CCC(CCC(=O)[O-])CC2)ncc1Br ZINC000900963218 969424216 /nfs/dbraw/zinc/42/42/16/969424216.db2.gz VREYQTRBAILNQZ-UHFFFAOYSA-N -1 0 338.205 2.797 20 30 EFEDRM CC(C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC000902028834 969509326 /nfs/dbraw/zinc/50/93/26/969509326.db2.gz YYPSMIQTVLGZCO-INIZCTEOSA-N -1 0 328.412 2.843 20 30 EFEDRM CSc1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC000902732097 969559816 /nfs/dbraw/zinc/55/98/16/969559816.db2.gz WRZRZBLLNSDJOY-KRWDZBQOSA-N -1 0 330.409 2.707 20 30 EFEDRM C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573378507 969808579 /nfs/dbraw/zinc/80/85/79/969808579.db2.gz GBECAYYALZJWDF-LBPRGKRZSA-N -1 0 337.383 2.523 20 30 EFEDRM C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573378506 969808654 /nfs/dbraw/zinc/80/86/54/969808654.db2.gz GBECAYYALZJWDF-GFCCVEGCSA-N -1 0 337.383 2.523 20 30 EFEDRM N#Cc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)cnc1C(F)(F)F ZINC001608194074 970402295 /nfs/dbraw/zinc/40/22/95/970402295.db2.gz OWOJXNMMIFROEH-UHFFFAOYSA-N -1 0 349.268 2.703 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001609691225 970446751 /nfs/dbraw/zinc/44/67/51/970446751.db2.gz DPHGUCKFVAJCFM-AWEZNQCLSA-N -1 0 343.166 2.723 20 30 EFEDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)cc(C#N)c1 ZINC001609743301 970503449 /nfs/dbraw/zinc/50/34/49/970503449.db2.gz AKFXCWRBQGGCOG-UHFFFAOYSA-N -1 0 340.354 2.990 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603290444 972545814 /nfs/dbraw/zinc/54/58/14/972545814.db2.gz MNCUAUVSKSWEJM-CABCVRRESA-N -1 0 327.384 2.635 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603290446 972546124 /nfs/dbraw/zinc/54/61/24/972546124.db2.gz MNCUAUVSKSWEJM-HUUCEWRRSA-N -1 0 327.384 2.635 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)Cc2ccccc2C(=O)[O-])C2CC2)n1 ZINC001605101772 972752558 /nfs/dbraw/zinc/75/25/58/972752558.db2.gz CBIRZHOQHJZVKQ-UHFFFAOYSA-N -1 0 335.363 2.698 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001605102289 972759402 /nfs/dbraw/zinc/75/94/02/972759402.db2.gz SBYWRLZXAVEKEL-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001605244318 973005985 /nfs/dbraw/zinc/00/59/85/973005985.db2.gz CDKGSWLWBSOADF-CFGKVWFZSA-N -1 0 349.386 2.945 20 30 EFEDRM O=C([O-])CCCCN=Nc1c(F)cc(C(=O)NC2CC2)cc1F ZINC001606142278 973396876 /nfs/dbraw/zinc/39/68/76/973396876.db2.gz IOSNYAQPUXFNPT-UHFFFAOYSA-N -1 0 325.315 2.510 20 30 EFEDRM O=C([O-])CCCC=NN1C(=S)N=NC1CSc1ccccc1 ZINC001606142722 973399928 /nfs/dbraw/zinc/39/99/28/973399928.db2.gz ZWEVVRBCTIIBFV-UHFFFAOYSA-N -1 0 336.442 2.948 20 30 EFEDRM CC[C@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001603516167 973530265 /nfs/dbraw/zinc/53/02/65/973530265.db2.gz NZOKFVVOUORTGM-SECBINFHSA-N -1 0 340.177 2.961 20 30 EFEDRM CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Oc1cccc(Cl)c1 ZINC001603551072 973623649 /nfs/dbraw/zinc/62/36/49/973623649.db2.gz YQBLKYCIJDIWGE-LRDDRELGSA-N -1 0 338.791 2.618 20 30 EFEDRM N#CC1(CCC[S@](=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001605576073 973843202 /nfs/dbraw/zinc/84/32/02/973843202.db2.gz JHJDNBLXYMCASG-QHCPKHFHSA-N -1 0 335.425 2.734 20 30 EFEDRM N#C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001605576465 973847989 /nfs/dbraw/zinc/84/79/89/973847989.db2.gz NYIJPQBOISKMPH-RYUDHWBXSA-N -1 0 327.167 2.785 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1Nc1cccc(CCC(=O)[O-])c1 ZINC001605590647 973884916 /nfs/dbraw/zinc/88/49/16/973884916.db2.gz KCDMRGCXTJNSRH-UHFFFAOYSA-N -1 0 326.312 2.809 20 30 EFEDRM N#CCc1ccsc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001605601252 973902319 /nfs/dbraw/zinc/90/23/19/973902319.db2.gz FOGYEAWPOULRJO-UHFFFAOYSA-N -1 0 348.405 2.899 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605601566 973904732 /nfs/dbraw/zinc/90/47/32/973904732.db2.gz SNCHZJFWOREVRL-KGLIPLIRSA-N -1 0 326.377 2.857 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cn2)cc1 ZINC001605612549 973926616 /nfs/dbraw/zinc/92/66/16/973926616.db2.gz PWNIKRRGKCICFC-UHFFFAOYSA-N -1 0 337.335 2.939 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605620010 973940691 /nfs/dbraw/zinc/94/06/91/973940691.db2.gz RGIZXEHSENIIJV-OAHLLOKOSA-N -1 0 329.287 2.521 20 30 EFEDRM CCCCOC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001603648865 974010713 /nfs/dbraw/zinc/01/07/13/974010713.db2.gz QLSWFZQJHQOMDZ-KRWDZBQOSA-N -1 0 332.356 2.587 20 30 EFEDRM COc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C#N ZINC001604820741 974056683 /nfs/dbraw/zinc/05/66/83/974056683.db2.gz PXJWSMZTSONWEI-LBPRGKRZSA-N -1 0 333.388 2.825 20 30 EFEDRM CCN(C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001603713881 974119515 /nfs/dbraw/zinc/11/95/15/974119515.db2.gz NHZWFIXVNUCOEW-JOYOIKCWSA-N -1 0 343.305 2.666 20 30 EFEDRM CC(C)[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001603733024 974171839 /nfs/dbraw/zinc/17/18/39/974171839.db2.gz XSMXMOKMFIJABL-MRXNPFEDSA-N -1 0 327.384 2.784 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@](C)(C#N)C1 ZINC001591763027 975861138 /nfs/dbraw/zinc/86/11/38/975861138.db2.gz AIAYVBTXFHXEGS-KRWDZBQOSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC001591763028 975861301 /nfs/dbraw/zinc/86/13/01/975861301.db2.gz AIAYVBTXFHXEGS-QGZVFWFLSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1C#N ZINC001591786585 975957841 /nfs/dbraw/zinc/95/78/41/975957841.db2.gz JCEJKQKWAANJHS-SGTLLEGYSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)[C@H](NC(=O)CON=Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001591877092 976228615 /nfs/dbraw/zinc/22/86/15/976228615.db2.gz PKCMKMKRBZFCGX-ZDUSSCGKSA-N -1 0 347.198 2.569 20 30 EFEDRM N#Cc1ccc(N(CCC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000692523235 976522009 /nfs/dbraw/zinc/52/20/09/976522009.db2.gz LRJICAFWMGQFEC-UHFFFAOYSA-N -1 0 325.324 2.948 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3C[C@@H](O)C[C@H](C(=O)[O-])C3)c2c1 ZINC001591981668 976598599 /nfs/dbraw/zinc/59/85/99/976598599.db2.gz WBBQMHIIGOBPIQ-ZFWWWQNUSA-N -1 0 339.395 2.502 20 30 EFEDRM CC(C)c1nc(NC(=O)CC2(C#N)CCOCC2)sc1C(=O)[O-] ZINC001592022612 976721760 /nfs/dbraw/zinc/72/17/60/976721760.db2.gz QVMNADWXIDCHLG-UHFFFAOYSA-N -1 0 337.401 2.614 20 30 EFEDRM CC(C)c1nnsc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001592093817 976849824 /nfs/dbraw/zinc/84/98/24/976849824.db2.gz UAHDXJWIJMOLKA-UHFFFAOYSA-N -1 0 330.365 2.568 20 30 EFEDRM C[C@@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001592210168 977252186 /nfs/dbraw/zinc/25/21/86/977252186.db2.gz BCPIXUSUPVQIFR-CABZTGNLSA-N -1 0 339.189 2.583 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001592221973 977404089 /nfs/dbraw/zinc/40/40/89/977404089.db2.gz QAMSYAZJPZCUES-SSDOTTSWSA-N -1 0 326.150 2.571 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001592225567 977410378 /nfs/dbraw/zinc/41/03/78/977410378.db2.gz BSGLMSMBVWUWDA-NSHDSACASA-N -1 0 344.396 2.614 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@H](CC#N)c1ccccc1)c1ccccn1 ZINC001592278370 977563935 /nfs/dbraw/zinc/56/39/35/977563935.db2.gz UMKDWICTJQGWCG-BEFAXECRSA-N -1 0 337.379 2.585 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ncccc1OCCCC#N)C1CC1 ZINC001592297230 977634686 /nfs/dbraw/zinc/63/46/86/977634686.db2.gz HNXIWRGUYRPMRP-KRWDZBQOSA-N -1 0 346.387 2.529 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)c(C#N)c1)c1cccnc1 ZINC001592303661 977658604 /nfs/dbraw/zinc/65/86/04/977658604.db2.gz FHLPFBRNRHXWKA-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(C#N)ccc1Cl)c1ccccn1 ZINC001592303813 977659618 /nfs/dbraw/zinc/65/96/18/977659618.db2.gz MVSIZJWZXTUFBF-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM Cc1ccc(S(=O)(=O)CC(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000734295904 978300792 /nfs/dbraw/zinc/30/07/92/978300792.db2.gz DTQNPCPKLVEAEL-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736545479 978342422 /nfs/dbraw/zinc/34/24/22/978342422.db2.gz PXXGKHHEJIQHAY-JTQLQIEISA-N -1 0 328.290 2.636 20 30 EFEDRM C[C@@H](CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC001592552193 978437736 /nfs/dbraw/zinc/43/77/36/978437736.db2.gz QDQHJAHXHNKPGY-NSHDSACASA-N -1 0 339.313 2.769 20 30 EFEDRM COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1C#N ZINC000746519943 978685651 /nfs/dbraw/zinc/68/56/51/978685651.db2.gz IJKMGKWXRXQCTA-UHFFFAOYSA-N -1 0 330.384 2.608 20 30 EFEDRM C#CCOc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000777382766 978779112 /nfs/dbraw/zinc/77/91/12/978779112.db2.gz UEVWLVNTWAGWRU-UHFFFAOYSA-N -1 0 329.396 2.854 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000782111132 978791818 /nfs/dbraw/zinc/79/18/18/978791818.db2.gz NDPOFXFANWFYOM-UHFFFAOYSA-N -1 0 338.367 2.751 20 30 EFEDRM COc1cccc(CC(C)N=Nc2ccc(C(=O)[O-])cc2OC)n1 ZINC000782908366 978793371 /nfs/dbraw/zinc/79/33/71/978793371.db2.gz QCYIWTYVOSDBOJ-UHFFFAOYSA-N -1 0 329.356 2.828 20 30 EFEDRM CC1(CNN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCCC1 ZINC000793085061 978801918 /nfs/dbraw/zinc/80/19/18/978801918.db2.gz WNYFLPKOXIAFEK-UHFFFAOYSA-N -1 0 335.360 2.562 20 30 EFEDRM CC(C)C1N=NC(=S)N1N=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799869246 978842729 /nfs/dbraw/zinc/84/27/29/978842729.db2.gz NQAVNQXBULHCGB-UHFFFAOYSA-N -1 0 343.412 2.612 20 30 EFEDRM O=C([O-])Cn1cc(C=NN2Cc3ccccc3C2=O)c2ccccc21 ZINC000799884577 978845171 /nfs/dbraw/zinc/84/51/71/978845171.db2.gz PUOXPQYMWUDQRR-UHFFFAOYSA-N -1 0 333.347 2.716 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1CC(=O)[O-] ZINC000814684831 978871540 /nfs/dbraw/zinc/87/15/40/978871540.db2.gz INCSJOMXGADHPW-IUCAKERBSA-N -1 0 336.304 2.792 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1cc(C(=O)[O-])cs1 ZINC000814714954 978876031 /nfs/dbraw/zinc/87/60/31/978876031.db2.gz VXFFUMQBWSWUTR-UHFFFAOYSA-N -1 0 333.438 2.835 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814715638 978876220 /nfs/dbraw/zinc/87/62/20/978876220.db2.gz DZVUPKUKLAIDCS-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM CN(N=Cc1cccc(C(=O)[O-])c1)C(=S)NCc1ccccc1 ZINC000814731653 978878036 /nfs/dbraw/zinc/87/80/36/978878036.db2.gz YPTKANKMQXJJGJ-UHFFFAOYSA-N -1 0 327.409 2.725 20 30 EFEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCC(C(=O)[O-])CC2)[C@@H]1C ZINC000814758882 978881902 /nfs/dbraw/zinc/88/19/02/978881902.db2.gz KILJYIINWZMJOG-XHMIPKSJSA-N -1 0 325.478 2.906 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)n1C)c1cc(C(=O)[O-])cs1 ZINC000814771000 978883138 /nfs/dbraw/zinc/88/31/38/978883138.db2.gz JYVIITRDMGAYBY-UHFFFAOYSA-N -1 0 342.380 2.529 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814786076 978884703 /nfs/dbraw/zinc/88/47/03/978884703.db2.gz TYQMTMMNWUNOOK-CMPLNLGQSA-N -1 0 337.420 2.667 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCCc2cccs2)CC[C@H]1CC(=O)[O-] ZINC000814793528 978885965 /nfs/dbraw/zinc/88/59/65/978885965.db2.gz SMUAZDBWRUWFDD-MNOVXSKESA-N -1 0 339.486 2.632 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=Cc2cccc(C(=O)[O-])c2)cc1 ZINC000814838216 978891872 /nfs/dbraw/zinc/89/18/72/978891872.db2.gz DXVZFKGKJISUGU-UHFFFAOYSA-N -1 0 342.424 2.771 20 30 EFEDRM COCc1nc(Cl)cc(N=NC(C)c2ccc(C(=O)[O-])cc2)n1 ZINC000814974946 978900112 /nfs/dbraw/zinc/90/01/12/978900112.db2.gz LJZJWDWSBTXVRE-UHFFFAOYSA-N -1 0 334.763 2.811 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000818625912 978921310 /nfs/dbraw/zinc/92/13/10/978921310.db2.gz YLUBSSKMLRWUEW-AWEZNQCLSA-N -1 0 347.415 2.668 20 30 EFEDRM CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819346 979022159 /nfs/dbraw/zinc/02/21/59/979022159.db2.gz FHDLPDXONPZPPE-UHFFFAOYSA-N -1 0 348.362 2.938 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc(OC)c1OC ZINC000831861030 979035155 /nfs/dbraw/zinc/03/51/55/979035155.db2.gz KUVKFQHKVZCALU-FNORWQNLSA-N -1 0 331.324 2.635 20 30 EFEDRM C[C@](CNC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001592694658 979148659 /nfs/dbraw/zinc/14/86/59/979148659.db2.gz YCBGBOZAIJFQFK-GOSISDBHSA-N -1 0 342.782 2.984 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001595041715 979227425 /nfs/dbraw/zinc/22/74/25/979227425.db2.gz VLAJDUVHQKKWTQ-PWGQDJSOSA-N -1 0 335.400 2.710 20 30 EFEDRM C[C@@](COC(=O)COc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001592762910 979360712 /nfs/dbraw/zinc/36/07/12/979360712.db2.gz BVTVPXDNHGAEDL-IBGZPJMESA-N -1 0 339.347 2.523 20 30 EFEDRM C[C@](COC(=O)COc1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592763440 979363665 /nfs/dbraw/zinc/36/36/65/979363665.db2.gz FGFJXHWNDFNSSI-LJQANCHMSA-N -1 0 339.347 2.523 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)[C@H]1n1cccn1 ZINC000844623120 979397326 /nfs/dbraw/zinc/39/73/26/979397326.db2.gz KWFXHPCJQKFTOZ-HZPDHXFCSA-N -1 0 328.372 2.708 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001592780819 979411671 /nfs/dbraw/zinc/41/16/71/979411671.db2.gz LUUCGIHBOWBCKY-CYBMUJFWSA-N -1 0 339.347 2.810 20 30 EFEDRM C[C@@H](CSCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592825057 979539449 /nfs/dbraw/zinc/53/94/49/979539449.db2.gz BIAPKWUVEIDNQO-AWEZNQCLSA-N -1 0 346.452 2.773 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001592834404 979576626 /nfs/dbraw/zinc/57/66/26/979576626.db2.gz PXFOTMGNAHQFDH-IAQYHMDHSA-N -1 0 328.393 2.740 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001592834380 979576866 /nfs/dbraw/zinc/57/68/66/979576866.db2.gz PUWOYHWLXYUIJF-NRXGSXMXSA-N -1 0 326.396 2.593 20 30 EFEDRM CC[C@@](CNC(=O)Cc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595145538 979614238 /nfs/dbraw/zinc/61/42/38/979614238.db2.gz MFJQLQVBAFWEPM-FQEVSTJZSA-N -1 0 336.391 2.650 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC000863429778 979665541 /nfs/dbraw/zinc/66/55/41/979665541.db2.gz VRVOWWBHUQXZDX-UHFFFAOYSA-N -1 0 331.409 2.702 20 30 EFEDRM O=C([O-])c1cccc(NN=Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000863951000 979676675 /nfs/dbraw/zinc/67/66/75/979676675.db2.gz ZYUPQCFLTURLFF-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM C[C@@H](Cc1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884059 979765670 /nfs/dbraw/zinc/76/56/70/979765670.db2.gz ZUAIDTKSAVIICK-JTQLQIEISA-N -1 0 326.312 2.868 20 30 EFEDRM C=C(C)C[C@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC000864187000 979832832 /nfs/dbraw/zinc/83/28/32/979832832.db2.gz BMHASTDTWHDVNK-LBPRGKRZSA-N -1 0 327.327 2.713 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(Br)cc1C)C(=O)[O-] ZINC000864188751 979837117 /nfs/dbraw/zinc/83/71/17/979837117.db2.gz UWPZZUFPNNFZNA-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM CC1(C)Sc2ccccc2C(=O)/C1=C/c1cn(CC(=O)[O-])nn1 ZINC000871670936 979966681 /nfs/dbraw/zinc/96/66/81/979966681.db2.gz GJISXKAWWDASBM-GHXNOFRVSA-N -1 0 329.381 2.513 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000871988124 980023715 /nfs/dbraw/zinc/02/37/15/980023715.db2.gz JQZCRYQNVDUKND-TXEJJXNPSA-N -1 0 339.388 2.704 20 30 EFEDRM C[C@@H]1C(N=Nc2cc(Br)ncn2)CC[C@@H]1CC(=O)[O-] ZINC000872437031 980075044 /nfs/dbraw/zinc/07/50/44/980075044.db2.gz YULWZXWTUDMWSL-JGVFFNPUSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000898860788 980224934 /nfs/dbraw/zinc/22/49/34/980224934.db2.gz HUQQEQRRZUVJBF-JKSUJKDBSA-N -1 0 332.400 2.579 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2n1 ZINC000899317069 980227736 /nfs/dbraw/zinc/22/77/36/980227736.db2.gz IWCOLVDORIFBKJ-KRWDZBQOSA-N -1 0 328.372 2.551 20 30 EFEDRM C=CCOC[C@@H](NCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000901809681 980530686 /nfs/dbraw/zinc/53/06/86/980530686.db2.gz FYJOEEHMTLJFFH-OAHLLOKOSA-N -1 0 332.425 2.864 20 30 EFEDRM CC[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](C)C(=O)[O-] ZINC001595353133 980678065 /nfs/dbraw/zinc/67/80/65/980678065.db2.gz NKZWHPVSURHDBD-XVKPBYJWSA-N -1 0 330.262 2.628 20 30 EFEDRM CC[C@H](Sc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595358648 980734304 /nfs/dbraw/zinc/73/43/04/980734304.db2.gz OWSHJOVUNLJNBR-AWEZNQCLSA-N -1 0 332.425 2.774 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)n1C ZINC001595361524 980762564 /nfs/dbraw/zinc/76/25/64/980762564.db2.gz YUWXUUQGEIKEDB-HNNXBMFYSA-N -1 0 325.368 2.575 20 30 EFEDRM CC/C=C/[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001595513545 981305363 /nfs/dbraw/zinc/30/53/63/981305363.db2.gz DJUWSGBQTVYLSH-FSIBCCDJSA-N -1 0 328.246 2.548 20 30 EFEDRM CCC[C@@](C)(NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC001595546442 981411145 /nfs/dbraw/zinc/41/11/45/981411145.db2.gz CHDTYOMARQETJZ-QGZVFWFLSA-N -1 0 349.456 2.730 20 30 EFEDRM CCC[C@H]1C[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001595620481 981689949 /nfs/dbraw/zinc/68/99/49/981689949.db2.gz JRPKWZJXDNKHHB-IRXDYDNUSA-N -1 0 330.380 2.875 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccccc1OCC#N ZINC001594792792 981863465 /nfs/dbraw/zinc/86/34/65/981863465.db2.gz REGIVJOVOUSHFQ-SFHVURJKSA-N -1 0 330.384 2.694 20 30 EFEDRM CCCC[C@@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)[O-] ZINC001595636550 981918444 /nfs/dbraw/zinc/91/84/44/981918444.db2.gz ATQDRQGZDWAJHL-GFCCVEGCSA-N -1 0 339.189 2.694 20 30 EFEDRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCCOc1cccc(C#N)c1 ZINC001594819225 981964598 /nfs/dbraw/zinc/96/45/98/981964598.db2.gz VREWRLQFEBFUMK-GOSISDBHSA-N -1 0 332.400 2.867 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595651830 982026859 /nfs/dbraw/zinc/02/68/59/982026859.db2.gz LJKMAIQJWGIDMW-HNNXBMFYSA-N -1 0 337.420 2.619 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595651963 982028456 /nfs/dbraw/zinc/02/84/56/982028456.db2.gz NDVRHYCHTPAIHK-MNOVXSKESA-N -1 0 341.433 2.990 20 30 EFEDRM CCCC[C@H](SCC#CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001595655568 982045252 /nfs/dbraw/zinc/04/52/52/982045252.db2.gz LXRQWDLGHPZPNA-HNNXBMFYSA-N -1 0 345.420 2.663 20 30 EFEDRM CC[C@@](C)(O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594854347 982121685 /nfs/dbraw/zinc/12/16/85/982121685.db2.gz XMIHRYACPOLHJY-HXUWFJFHSA-N -1 0 337.375 2.884 20 30 EFEDRM CCCCCCCS(=O)(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595708994 982288708 /nfs/dbraw/zinc/28/87/08/982288708.db2.gz PMAXBHZPILLEMS-UHFFFAOYSA-N -1 0 339.417 2.973 20 30 EFEDRM CC[C@@H](C)[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001594927369 982524395 /nfs/dbraw/zinc/52/43/95/982524395.db2.gz SXWSJMRVMDIMON-XCBNKYQSSA-N -1 0 330.262 2.628 20 30 EFEDRM CCCCc1ccc(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1 ZINC001595793418 982595682 /nfs/dbraw/zinc/59/56/82/982595682.db2.gz IANWEKGEGSHLED-UHFFFAOYSA-N -1 0 338.363 2.644 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCc3ccc(C(=O)[O-])cc32)CCCCC1 ZINC000921691477 982696462 /nfs/dbraw/zinc/69/64/62/982696462.db2.gz AIIQVGQFJXYHMP-UHFFFAOYSA-N -1 0 348.424 2.551 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000923063497 982702414 /nfs/dbraw/zinc/70/24/14/982702414.db2.gz XZYXYOXCJYKBEO-GOSISDBHSA-N -1 0 328.368 2.871 20 30 EFEDRM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)c1snc(C)c1C#N ZINC001595824893 982708279 /nfs/dbraw/zinc/70/82/79/982708279.db2.gz YVBNKAUXICWSSE-UHFFFAOYSA-N -1 0 333.369 2.980 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000923077233 982709235 /nfs/dbraw/zinc/70/92/35/982709235.db2.gz LWVONKYTXBWGTK-AWEZNQCLSA-N -1 0 339.189 2.703 20 30 EFEDRM N#C[C@]1(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC2CCC1CC2 ZINC000923098658 982723436 /nfs/dbraw/zinc/72/34/36/982723436.db2.gz YODADPFDJIILJD-ZNQCYWAISA-N -1 0 338.407 2.990 20 30 EFEDRM CC[C@H](C)Oc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595000820 982913353 /nfs/dbraw/zinc/91/33/53/982913353.db2.gz YPMFRUJLBMXFLP-ZDUSSCGKSA-N -1 0 330.384 2.694 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2cc(C)c(C(=O)[O-])[nH]2)c2ccccc21 ZINC001595894557 982930715 /nfs/dbraw/zinc/93/07/15/982930715.db2.gz KORGVXHRIHLRGR-UHFFFAOYSA-N -1 0 338.367 2.601 20 30 EFEDRM C=CCO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001118318620 982952757 /nfs/dbraw/zinc/95/27/57/982952757.db2.gz GZSGSWOEYMYRIG-UONOGXRCSA-N -1 0 340.217 2.852 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC001118889699 982964298 /nfs/dbraw/zinc/96/42/98/982964298.db2.gz QSAJXLLIIHTEFR-LLVKDONJSA-N -1 0 334.376 2.625 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588369163 983311790 /nfs/dbraw/zinc/31/17/90/983311790.db2.gz DGNYTEGMEFLBBZ-SSDOTTSWSA-N -1 0 343.152 2.820 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588369483 983314687 /nfs/dbraw/zinc/31/46/87/983314687.db2.gz NJRXXWPNFKXLSN-MRVPVSSYSA-N -1 0 325.162 2.681 20 30 EFEDRM C#C[C@H](CCC)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588370629 983320775 /nfs/dbraw/zinc/32/07/75/983320775.db2.gz JFZPKZBQWPHEST-GFCCVEGCSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(F)cc1 ZINC001588371987 983326446 /nfs/dbraw/zinc/32/64/46/983326446.db2.gz BEOBDENVUXIRAC-DAYGRLMNSA-N -1 0 330.359 2.539 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc(Cl)cc1 ZINC001588371941 983326458 /nfs/dbraw/zinc/32/64/58/983326458.db2.gz AOFRSMIVQYVKIK-ARFHVFGLSA-N -1 0 346.814 2.767 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372025 983327037 /nfs/dbraw/zinc/32/70/37/983327037.db2.gz BRUIBZFRLHLNMD-KYOSRNDESA-N -1 0 334.803 2.767 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372274 983329357 /nfs/dbraw/zinc/32/93/57/983329357.db2.gz HCDCWISAURGTNE-BXUZGUMPSA-N -1 0 336.750 2.626 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001588372400 983330485 /nfs/dbraw/zinc/33/04/85/983330485.db2.gz JSFVVJJMVXWFBS-IDHHARJASA-N -1 0 344.386 2.786 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372803 983334227 /nfs/dbraw/zinc/33/42/27/983334227.db2.gz SXJYCTOCGNQKFJ-GAJTVXKRSA-N -1 0 338.766 2.516 20 30 EFEDRM C#C[C@H](NC(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588373422 983338774 /nfs/dbraw/zinc/33/87/74/983338774.db2.gz FZKKBGXICFBFGB-AWEZNQCLSA-N -1 0 330.315 2.599 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588374158 983341478 /nfs/dbraw/zinc/34/14/78/983341478.db2.gz PPWUZTLGCPQEAL-INIZCTEOSA-N -1 0 326.327 2.698 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588374315 983343277 /nfs/dbraw/zinc/34/32/77/983343277.db2.gz UFUXKZQDIXUNDS-QGZVFWFLSA-N -1 0 340.354 2.627 20 30 EFEDRM C#C[C@H](OC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC001588376415 983351310 /nfs/dbraw/zinc/35/13/10/983351310.db2.gz SZVNGBPWHVFJFV-LBPRGKRZSA-N -1 0 330.764 2.905 20 30 EFEDRM C#C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC001588376884 983354702 /nfs/dbraw/zinc/35/47/02/983354702.db2.gz ZKFVNNFQLWYTPF-KXQLTZBTSA-N -1 0 330.340 2.533 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC001588376995 983355280 /nfs/dbraw/zinc/35/52/80/983355280.db2.gz HYCZEGCJTYCDGU-MJBXVCDLSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C1 ZINC001588382752 983374237 /nfs/dbraw/zinc/37/42/37/983374237.db2.gz HFGROOIANRMHNF-CYBMUJFWSA-N -1 0 343.404 2.572 20 30 EFEDRM C#C[C@H]1CCCCN1S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588382906 983375326 /nfs/dbraw/zinc/37/53/26/983375326.db2.gz VWRJERJCIVIKNS-ZDUSSCGKSA-N -1 0 343.404 2.714 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(=C)C ZINC001588389953 983390116 /nfs/dbraw/zinc/39/01/16/983390116.db2.gz GRJGBDKOBUEBDZ-RBSFLKMASA-N -1 0 330.432 2.528 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CC1CC1 ZINC001588390470 983394236 /nfs/dbraw/zinc/39/42/36/983394236.db2.gz VTBTYTFJDAJOQP-BMFZPTHFSA-N -1 0 344.459 2.752 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC001588407708 983429154 /nfs/dbraw/zinc/42/91/54/983429154.db2.gz NCBZCTIZFUXMPE-LLVKDONJSA-N -1 0 340.162 2.875 20 30 EFEDRM C#CC[C@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001588408061 983430197 /nfs/dbraw/zinc/43/01/97/983430197.db2.gz WHMHNWHKDHGKRL-SFHVURJKSA-N -1 0 336.391 2.878 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC001588413600 983431455 /nfs/dbraw/zinc/43/14/55/983431455.db2.gz CKTOKCXJDBCGBI-HNNXBMFYSA-N -1 0 343.404 2.938 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)[O-] ZINC001588413820 983432255 /nfs/dbraw/zinc/43/22/55/983432255.db2.gz JFEANCRLXZUSFA-QGZVFWFLSA-N -1 0 345.358 2.503 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(-c2cccc(Cl)c2)nc1C)C(=O)[O-] ZINC001588421328 983440562 /nfs/dbraw/zinc/44/05/62/983440562.db2.gz HDALDKHAGHDJJS-GFCCVEGCSA-N -1 0 348.811 2.978 20 30 EFEDRM C#CC[C@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC001588423368 983452300 /nfs/dbraw/zinc/45/23/00/983452300.db2.gz DNZVKANPPWTFEG-HNNXBMFYSA-N -1 0 330.409 2.597 20 30 EFEDRM C#CCC1(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)CCCCC1 ZINC001588428015 983459236 /nfs/dbraw/zinc/45/92/36/983459236.db2.gz XDRNWCHMJSJAKH-UHFFFAOYSA-N -1 0 341.473 2.667 20 30 EFEDRM C#CCC1(C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-])CCCCC1 ZINC001588428496 983462147 /nfs/dbraw/zinc/46/21/47/983462147.db2.gz QMVBNIZPKFCKSW-MRXNPFEDSA-N -1 0 337.460 2.936 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001588431435 983464630 /nfs/dbraw/zinc/46/46/30/983464630.db2.gz IICBHJRYHDYOPE-CYBMUJFWSA-N -1 0 330.384 2.798 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC001588431547 983465060 /nfs/dbraw/zinc/46/50/60/983465060.db2.gz KTEBFTZENMPTJV-UHFFFAOYSA-N -1 0 339.388 2.528 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588455185 983479239 /nfs/dbraw/zinc/47/92/39/983479239.db2.gz GPTSBENTADHQJJ-UHFFFAOYSA-N -1 0 341.338 2.856 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001588455879 983480856 /nfs/dbraw/zinc/48/08/56/983480856.db2.gz VALJYKAWTRUKEV-LPHOPBHVSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001588455878 983480964 /nfs/dbraw/zinc/48/09/64/983480964.db2.gz VALJYKAWTRUKEV-APWZRJJASA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCN(C(=O)NCCc1ccc(C(=O)[O-])cc1OC)C1CCCC1 ZINC001588459594 983484902 /nfs/dbraw/zinc/48/49/02/983484902.db2.gz DGXGGXHACAPWCA-UHFFFAOYSA-N -1 0 344.411 2.523 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C1CC1 ZINC001588459563 983485013 /nfs/dbraw/zinc/48/50/13/983485013.db2.gz BOCLBGZPBCUSPE-UHFFFAOYSA-N -1 0 338.367 2.508 20 30 EFEDRM C#CCN(C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C1CCCC1 ZINC001588459709 983485978 /nfs/dbraw/zinc/48/59/78/983485978.db2.gz IVLBTQMJOYMNNF-LLVKDONJSA-N -1 0 347.440 2.742 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC001588460099 983487097 /nfs/dbraw/zinc/48/70/97/983487097.db2.gz RXYIVYMYPQRATH-UHFFFAOYSA-N -1 0 326.299 2.862 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C1CSC1 ZINC001588460107 983487158 /nfs/dbraw/zinc/48/71/58/983487158.db2.gz SFWCTMCXYSVIBO-LBPRGKRZSA-N -1 0 332.425 2.532 20 30 EFEDRM C#CCOc1ccc(COC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001588497703 983540560 /nfs/dbraw/zinc/54/05/60/983540560.db2.gz WIUUOPUIFQPWOR-FPLPWBNLSA-N -1 0 326.304 2.746 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001588497744 983541260 /nfs/dbraw/zinc/54/12/60/983541260.db2.gz YNIDHVXSYNAYTL-UHFFFAOYSA-N -1 0 328.320 2.584 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588498144 983543856 /nfs/dbraw/zinc/54/38/56/983543856.db2.gz YALCWPXPXWVELN-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])cc1 ZINC001588499060 983544626 /nfs/dbraw/zinc/54/46/26/983544626.db2.gz LVPWTLRXEJKKHI-IBGZPJMESA-N -1 0 329.396 2.804 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588499420 983545848 /nfs/dbraw/zinc/54/58/48/983545848.db2.gz YWJXBTBKBINHIG-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588505153 983549896 /nfs/dbraw/zinc/54/98/96/983549896.db2.gz WCZNNLRCMMOLIA-UHFFFAOYSA-N -1 0 328.324 2.620 20 30 EFEDRM C#CCSCC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588506279 983551222 /nfs/dbraw/zinc/55/12/22/983551222.db2.gz OBYVEXLEKRDOTL-LBPRGKRZSA-N -1 0 332.299 2.741 20 30 EFEDRM C#CCSCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588506265 983551272 /nfs/dbraw/zinc/55/12/72/983551272.db2.gz NFAGAYJTXCEMQF-UHFFFAOYSA-N -1 0 330.768 2.665 20 30 EFEDRM C#CCSCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588506592 983552166 /nfs/dbraw/zinc/55/21/66/983552166.db2.gz YTYVRHDBIRPCEG-KRWDZBQOSA-N -1 0 341.432 2.566 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC001588509467 983552742 /nfs/dbraw/zinc/55/27/42/983552742.db2.gz GTYMXMIFOLQTGJ-UHFFFAOYSA-N -1 0 331.803 2.890 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC001588516158 983560253 /nfs/dbraw/zinc/56/02/53/983560253.db2.gz BEEDPVYRSAJADN-SFHVURJKSA-N -1 0 332.359 2.575 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)cc1 ZINC001588516853 983562623 /nfs/dbraw/zinc/56/26/23/983562623.db2.gz FCBCBKUHEOAHSY-UHFFFAOYSA-N -1 0 337.379 2.754 20 30 EFEDRM C#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001588517752 983566471 /nfs/dbraw/zinc/56/64/71/983566471.db2.gz HJNHYWQWEDZLLU-KRWDZBQOSA-N -1 0 349.452 2.617 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001588522198 983569954 /nfs/dbraw/zinc/56/99/54/983569954.db2.gz HXVRXSLGKPWJOW-RBUKOAKNSA-N -1 0 348.402 2.678 20 30 EFEDRM C#Cc1cccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001588522468 983571491 /nfs/dbraw/zinc/57/14/91/983571491.db2.gz ZDIJEJCHPVNEGJ-UHFFFAOYSA-N -1 0 328.412 2.892 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001588523381 983572397 /nfs/dbraw/zinc/57/23/97/983572397.db2.gz HYLIIXBIRPGWHC-UHFFFAOYSA-N -1 0 336.391 2.745 20 30 EFEDRM C=C(Br)CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001588528666 983577497 /nfs/dbraw/zinc/57/74/97/983577497.db2.gz CBABUSKJZHNGHB-UHFFFAOYSA-N -1 0 346.093 2.522 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC001588529014 983579250 /nfs/dbraw/zinc/57/92/50/983579250.db2.gz MUISHJQBUQKVMB-UHFFFAOYSA-N -1 0 329.381 2.767 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588533894 983584792 /nfs/dbraw/zinc/58/47/92/983584792.db2.gz BVUCGGWOPHUWCO-HOTGVXAUSA-N -1 0 332.400 2.507 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588534579 983586224 /nfs/dbraw/zinc/58/62/24/983586224.db2.gz AJYVFWLAUWBEGI-LKFCYVNXSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588535678 983590214 /nfs/dbraw/zinc/59/02/14/983590214.db2.gz KIRAYWNEXNKEJO-PBHICJAKSA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588536700 983595363 /nfs/dbraw/zinc/59/53/63/983595363.db2.gz UENKSOIEJAETTC-LKFCYVNXSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001588536705 983595489 /nfs/dbraw/zinc/59/54/89/983595489.db2.gz CZGDEVSUXORKIU-KWBADKCTSA-N -1 0 327.302 2.743 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588536956 983596636 /nfs/dbraw/zinc/59/66/36/983596636.db2.gz WBSJWPWGXJMYAZ-CMPLNLGQSA-N -1 0 337.397 2.697 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1ccc(Cl)c(CC)c1)C(=O)[O-] ZINC001588543199 983610929 /nfs/dbraw/zinc/61/09/29/983610929.db2.gz YDKHLNBNHSAKMX-AWEZNQCLSA-N -1 0 325.792 2.817 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(Cl)c(CC)c1)C(=O)[O-] ZINC001588543203 983611059 /nfs/dbraw/zinc/61/10/59/983611059.db2.gz YDKHLNBNHSAKMX-CQSZACIVSA-N -1 0 325.792 2.817 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(F)cc1F)C(=O)[O-] ZINC001588544193 983613319 /nfs/dbraw/zinc/61/33/19/983613319.db2.gz WURDOZZDIWSBBJ-LLVKDONJSA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC001588544213 983613730 /nfs/dbraw/zinc/61/37/30/983613730.db2.gz XRFWZIFMUXDEJF-MRVPVSSYSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(Cc2ccncc2)c1C)C(=O)[O-] ZINC001588544210 983613762 /nfs/dbraw/zinc/61/37/62/983613762.db2.gz XNEGOYCVBXUTII-QGZVFWFLSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)[O-] ZINC001588544245 983613849 /nfs/dbraw/zinc/61/38/49/983613849.db2.gz ZCVDQMCYOYKINZ-LLVKDONJSA-N -1 0 335.743 2.596 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001588546238 983614309 /nfs/dbraw/zinc/61/43/09/983614309.db2.gz BKXQKUDIYSQTCV-ZDUSSCGKSA-N -1 0 344.333 2.921 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001588548320 983624054 /nfs/dbraw/zinc/62/40/54/983624054.db2.gz POLUTWFKDAMOQQ-LBPRGKRZSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001588548986 983626024 /nfs/dbraw/zinc/62/60/24/983626024.db2.gz ZYHNKKWFUWPSND-CQSZACIVSA-N -1 0 339.775 2.552 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC001588567254 983646403 /nfs/dbraw/zinc/64/64/03/983646403.db2.gz HCAXSYQAJKEGJW-INIZCTEOSA-N -1 0 335.448 2.864 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C(=O)[O-])C1(OC)CCC1 ZINC001588567255 983646456 /nfs/dbraw/zinc/64/64/56/983646456.db2.gz HCAXSYQAJKEGJW-MRXNPFEDSA-N -1 0 335.448 2.864 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588567467 983646891 /nfs/dbraw/zinc/64/68/91/983646891.db2.gz LTPAOSFTZMNUEX-INIZCTEOSA-N -1 0 346.431 2.725 20 30 EFEDRM C=C(C)CONC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588573259 983652257 /nfs/dbraw/zinc/65/22/57/983652257.db2.gz GSJZOAOUZHWQEQ-SNVBAGLBSA-N -1 0 325.390 2.504 20 30 EFEDRM C=C(C)CONC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588573611 983653593 /nfs/dbraw/zinc/65/35/93/983653593.db2.gz RIFHOGSRBQUAFZ-UONOGXRCSA-N -1 0 338.791 2.657 20 30 EFEDRM C=C(C)Cn1c(-c2cscn2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588588818 983664523 /nfs/dbraw/zinc/66/45/23/983664523.db2.gz AOHCVHAETSBKNW-MRXNPFEDSA-N -1 0 347.444 2.669 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)SC)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588588858 983664814 /nfs/dbraw/zinc/66/48/14/983664814.db2.gz BHRJJQYLJMVYIE-OZVIIMIRSA-N -1 0 338.477 2.825 20 30 EFEDRM C=C(C)Cn1c(-c2nccs2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588588845 983664832 /nfs/dbraw/zinc/66/48/32/983664832.db2.gz BBWMPLHTPSNTBL-MRXNPFEDSA-N -1 0 347.444 2.669 20 30 EFEDRM C=C(C)Cn1c(C2CC=CC2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588591627 983673852 /nfs/dbraw/zinc/67/38/52/983673852.db2.gz KYNSDGXFIBUWKR-SFHVURJKSA-N -1 0 330.432 2.979 20 30 EFEDRM C=C(C)Cn1c([C@H]2CC=CCC2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588591642 983673860 /nfs/dbraw/zinc/67/38/60/983673860.db2.gz LASZMLFWAWJSGC-QLFBSQMISA-N -1 0 330.432 2.835 20 30 EFEDRM C=C(C)Cn1c(COC2CCCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588597579 983679770 /nfs/dbraw/zinc/67/97/70/983679770.db2.gz IAOZNJSICREMNZ-AWEZNQCLSA-N -1 0 348.447 2.614 20 30 EFEDRM C=C(C)Cn1c(CCc2ccsc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588598243 983682501 /nfs/dbraw/zinc/68/25/01/983682501.db2.gz WNLZNICWYWZBGG-CQSZACIVSA-N -1 0 346.456 2.612 20 30 EFEDRM C=C(C)Cn1nc(C(=O)[O-])cc1-c1ccc(N2CCOCC2)cc1 ZINC001588599444 983690334 /nfs/dbraw/zinc/69/03/34/983690334.db2.gz QCQWOHRJOBSDNT-UHFFFAOYSA-N -1 0 327.384 2.661 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC001588606956 983699458 /nfs/dbraw/zinc/69/94/58/983699458.db2.gz MUHGMLQHKXLWMV-UHFFFAOYSA-N -1 0 341.411 2.889 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001588611972 983701114 /nfs/dbraw/zinc/70/11/14/983701114.db2.gz DENSYLGTKHLESZ-UHFFFAOYSA-N -1 0 326.736 2.628 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC001588611995 983701452 /nfs/dbraw/zinc/70/14/52/983701452.db2.gz DWJNVUFAPDNRNG-INIZCTEOSA-N -1 0 343.379 2.763 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC001588612850 983704496 /nfs/dbraw/zinc/70/44/96/983704496.db2.gz YREDAUDAXBFEMF-UHFFFAOYSA-N -1 0 344.180 2.968 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC001588613993 983706019 /nfs/dbraw/zinc/70/60/19/983706019.db2.gz IQPJIJVXRCVAAS-UHFFFAOYSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001588615316 983711424 /nfs/dbraw/zinc/71/14/24/983711424.db2.gz QBFRENGQWGOTBZ-CQSZACIVSA-N -1 0 339.432 2.910 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC001588615309 983711445 /nfs/dbraw/zinc/71/14/45/983711445.db2.gz PVULSXBGBUKPET-UHFFFAOYSA-N -1 0 342.317 2.823 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001588615411 983711940 /nfs/dbraw/zinc/71/19/40/983711940.db2.gz SSQBGQJLHINNIX-LSDHHAIUSA-N -1 0 335.400 2.895 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC001588619063 983714578 /nfs/dbraw/zinc/71/45/78/983714578.db2.gz JOHNAQFNHRHMDV-ZDUSSCGKSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001588619156 983715026 /nfs/dbraw/zinc/71/50/26/983715026.db2.gz MGYODMJYBVEVGU-XPTSAGLGSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC001588619541 983717526 /nfs/dbraw/zinc/71/75/26/983717526.db2.gz WVNBJIGEUNFHJH-IAQYHMDHSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001588621456 983719226 /nfs/dbraw/zinc/71/92/26/983719226.db2.gz DPBQZUDSWBJHSJ-CYBMUJFWSA-N -1 0 346.383 2.632 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC001588621862 983720995 /nfs/dbraw/zinc/72/09/95/983720995.db2.gz LIQKPFJDKNWAMK-SNVBAGLBSA-N -1 0 349.774 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)OC)CC1CCCCC1 ZINC001588622250 983722469 /nfs/dbraw/zinc/72/24/69/983722469.db2.gz SJKUSELDOAQQDA-HNNXBMFYSA-N -1 0 339.432 2.816 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C ZINC001588622851 983725492 /nfs/dbraw/zinc/72/54/92/983725492.db2.gz FWKWDLAAOJRAND-UHFFFAOYSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC001588623286 983727653 /nfs/dbraw/zinc/72/76/53/983727653.db2.gz OCWIAQMPDMJENO-GOSISDBHSA-N -1 0 339.391 2.924 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCOc1cccc(Cl)c1Cl ZINC001588624526 983732612 /nfs/dbraw/zinc/73/26/12/983732612.db2.gz LYABJPQTFIWZOC-UHFFFAOYSA-N -1 0 332.183 2.909 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Br)cc1F ZINC001588629672 983738648 /nfs/dbraw/zinc/73/86/48/983738648.db2.gz HXMYBRIXZCVDOY-UHFFFAOYSA-N -1 0 330.153 2.625 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC001588629762 983738970 /nfs/dbraw/zinc/73/89/70/983738970.db2.gz JVCANXGKTLDHKV-AWEZNQCLSA-N -1 0 334.416 2.932 20 30 EFEDRM C=C[C@@H](C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001588661829 983787951 /nfs/dbraw/zinc/78/79/51/983787951.db2.gz SSWOKCSTAVDPOR-RHSMWYFYSA-N -1 0 341.338 2.974 20 30 EFEDRM C=C[C@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588663192 983793573 /nfs/dbraw/zinc/79/35/73/983793573.db2.gz CMOOVJVCXCGTHG-HNNXBMFYSA-N -1 0 325.364 2.979 20 30 EFEDRM C=C[C@H](C(=O)[O-])N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001588663705 983796338 /nfs/dbraw/zinc/79/63/38/983796338.db2.gz JRMUJVVEYBFDTJ-CQSZACIVSA-N -1 0 345.226 2.571 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC001588664321 983799565 /nfs/dbraw/zinc/79/95/65/983799565.db2.gz PMZDTTFFRHEBIQ-NCOADZHNSA-N -1 0 331.412 2.731 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(=C)C ZINC001588681313 983840153 /nfs/dbraw/zinc/84/01/53/983840153.db2.gz WFLIEZWXTSGDLB-ZIAGYGMSSA-N -1 0 332.448 2.766 20 30 EFEDRM C=C[C@](C)(O)CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001588684449 983859526 /nfs/dbraw/zinc/85/95/26/983859526.db2.gz RAWMJMJHGRYVFJ-KRWDZBQOSA-N -1 0 346.408 2.698 20 30 EFEDRM C=C[C@H](OC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1)C(=O)[O-] ZINC001588705392 983927067 /nfs/dbraw/zinc/92/70/67/983927067.db2.gz MODULPQXUXERIN-HNNXBMFYSA-N -1 0 345.395 2.501 20 30 EFEDRM C=C[C@@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)[O-] ZINC001588714760 983952824 /nfs/dbraw/zinc/95/28/24/983952824.db2.gz MXCRQMYHJWTQBM-CYBMUJFWSA-N -1 0 326.381 2.606 20 30 EFEDRM C=C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC001588715045 983954514 /nfs/dbraw/zinc/95/45/14/983954514.db2.gz SNFAXICTOIWDLE-SECBINFHSA-N -1 0 327.456 2.986 20 30 EFEDRM C=CC[C@@H](C(=O)NCCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588721067 983971337 /nfs/dbraw/zinc/97/13/37/983971337.db2.gz LWSFUYWCDRQOQW-CYBMUJFWSA-N -1 0 330.409 2.860 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588735814 984020640 /nfs/dbraw/zinc/02/06/40/984020640.db2.gz MIRCLUAGLXQNII-MRVPVSSYSA-N -1 0 335.784 2.810 20 30 EFEDRM C=CCC(C)(C)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588736414 984024815 /nfs/dbraw/zinc/02/48/15/984024815.db2.gz IYDZCIASCAAQGB-LBPRGKRZSA-N -1 0 333.384 2.535 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588736665 984025925 /nfs/dbraw/zinc/02/59/25/984025925.db2.gz QVWFCKKKRNMJGJ-UHFFFAOYSA-N -1 0 339.457 2.929 20 30 EFEDRM C=CCC(CC=C)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588737930 984031441 /nfs/dbraw/zinc/03/14/41/984031441.db2.gz WHTOFPAAHYPIQE-DLBZAZTESA-N -1 0 329.396 2.787 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccncc1 ZINC001588743158 984036744 /nfs/dbraw/zinc/03/67/44/984036744.db2.gz RZFDCXZVBUBOMQ-KRWDZBQOSA-N -1 0 339.395 2.825 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001588745241 984049962 /nfs/dbraw/zinc/04/99/62/984049962.db2.gz WLPADKHTMGWDPT-HNNXBMFYSA-N -1 0 345.420 2.851 20 30 EFEDRM C=CC[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001588749028 984062712 /nfs/dbraw/zinc/06/27/12/984062712.db2.gz CSWKZNYOXPKDHZ-HNNXBMFYSA-N -1 0 328.368 2.530 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)[O-] ZINC001588757054 984101461 /nfs/dbraw/zinc/10/14/61/984101461.db2.gz TYYCFLHPBUPVHQ-CYBMUJFWSA-N -1 0 337.759 2.653 20 30 EFEDRM C=CC[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001588757957 984104276 /nfs/dbraw/zinc/10/42/76/984104276.db2.gz CUQNFMHKTHYNQO-BYPYZUCNSA-N -1 0 339.562 2.810 20 30 EFEDRM C=CC[C@H](OC(=O)c1sc(N2CCCC2)nc1Cl)C(=O)[O-] ZINC001588758664 984106718 /nfs/dbraw/zinc/10/67/18/984106718.db2.gz HRJHCEQOMBFDDQ-QMMMGPOBSA-N -1 0 330.793 2.583 20 30 EFEDRM C=CC[C@H](Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)[O-] ZINC001588759138 984110327 /nfs/dbraw/zinc/11/03/27/984110327.db2.gz QBMZYCBCBNAXFQ-LBPRGKRZSA-N -1 0 336.369 2.875 20 30 EFEDRM C=CCC1(CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)CCCC1 ZINC001588767132 984128358 /nfs/dbraw/zinc/12/83/58/984128358.db2.gz KRODXHMEYVMTPP-UHFFFAOYSA-N -1 0 329.462 2.687 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001588769085 984132246 /nfs/dbraw/zinc/13/22/46/984132246.db2.gz LMBFAEPBZGIMKY-JKSUJKDBSA-N -1 0 344.411 2.810 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001588770508 984134576 /nfs/dbraw/zinc/13/45/76/984134576.db2.gz AKEQUSOZNXYNIS-PWSUYJOCSA-N -1 0 336.413 2.636 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001588770509 984134638 /nfs/dbraw/zinc/13/46/38/984134638.db2.gz AKEQUSOZNXYNIS-ZYHUDNBSSA-N -1 0 336.413 2.636 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001588770685 984135681 /nfs/dbraw/zinc/13/56/81/984135681.db2.gz DCAXTYTZDOJDIR-APIJFGDWSA-N -1 0 329.462 2.684 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588771057 984137257 /nfs/dbraw/zinc/13/72/57/984137257.db2.gz MZSWDIFKBJEHGG-BXUZGUMPSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588771006 984137539 /nfs/dbraw/zinc/13/75/39/984137539.db2.gz LENBFUZKPMJOEP-GXTWGEPZSA-N -1 0 334.420 2.959 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC001588771110 984137907 /nfs/dbraw/zinc/13/79/07/984137907.db2.gz OJOBBNCGIPJLIZ-GFCCVEGCSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001588771286 984139246 /nfs/dbraw/zinc/13/92/46/984139246.db2.gz ROAQKBREHWKDSZ-GFCCVEGCSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001588771411 984139839 /nfs/dbraw/zinc/13/98/39/984139839.db2.gz TZFPHVWMWLXUJQ-LLVKDONJSA-N -1 0 338.433 2.765 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588771700 984140839 /nfs/dbraw/zinc/14/08/39/984140839.db2.gz YCSDXDSJYNMJKT-FZMZJTMJSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1(C)C ZINC001588773677 984148770 /nfs/dbraw/zinc/14/87/70/984148770.db2.gz FFFAEFQITIGNPL-LBPRGKRZSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)c2scnc2C(=O)[O-])CCCC1(C)C ZINC001588773881 984149869 /nfs/dbraw/zinc/14/98/69/984149869.db2.gz MEIQYTGNNTZOMK-SNVBAGLBSA-N -1 0 344.458 2.597 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588776985 984154598 /nfs/dbraw/zinc/15/45/98/984154598.db2.gz POVLFEOKUZVTGX-TXKKKEFDSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001588777024 984155040 /nfs/dbraw/zinc/15/50/40/984155040.db2.gz RNINIMQMRYMWDU-UHFFFAOYSA-N -1 0 343.379 2.889 20 30 EFEDRM C=CCC[C@@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588777166 984155529 /nfs/dbraw/zinc/15/55/29/984155529.db2.gz VGKPBGOPDIJOGH-SQGPQFPESA-N -1 0 343.423 2.686 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001588777678 984156809 /nfs/dbraw/zinc/15/68/09/984156809.db2.gz FOEZJFWDJGQYCA-UHFFFAOYSA-N -1 0 346.836 2.704 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001588778177 984159936 /nfs/dbraw/zinc/15/99/36/984159936.db2.gz WJXYGQAAQQFSOX-UHFFFAOYSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588781746 984167907 /nfs/dbraw/zinc/16/79/07/984167907.db2.gz GADKPPOYDMDREJ-LBPRGKRZSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCC[C@H]1NC(=O)N(c2cccc(CSCCC(=O)[O-])c2)C1=O ZINC001588781881 984168999 /nfs/dbraw/zinc/16/89/99/984168999.db2.gz KLZZDNMGZRHLDX-CQSZACIVSA-N -1 0 348.424 2.786 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588783093 984176868 /nfs/dbraw/zinc/17/68/68/984176868.db2.gz XLXPDFUFWNJCBY-XOKHGSTOSA-N -1 0 346.427 2.947 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001588785558 984181604 /nfs/dbraw/zinc/18/16/04/984181604.db2.gz IRHNRQLDYYNBHU-ZDUSSCGKSA-N -1 0 334.372 2.798 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC001588788593 984191127 /nfs/dbraw/zinc/19/11/27/984191127.db2.gz IAVGKMIPMMIIGQ-AWEZNQCLSA-N -1 0 337.803 2.743 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588788557 984191138 /nfs/dbraw/zinc/19/11/38/984191138.db2.gz GVJXETCARJGGSD-CYBMUJFWSA-N -1 0 338.385 2.613 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788601 984191720 /nfs/dbraw/zinc/19/17/20/984191720.db2.gz IEMWVLBUCIVHPM-AWEZNQCLSA-N -1 0 339.338 2.853 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788767 984193174 /nfs/dbraw/zinc/19/31/74/984193174.db2.gz NFEJKHORBODWJK-CYBMUJFWSA-N -1 0 329.368 2.983 20 30 EFEDRM C=CCCC[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)C(=O)[O-] ZINC001588789360 984198392 /nfs/dbraw/zinc/19/83/92/984198392.db2.gz BNUUFSUMJOZXDP-OFAQMXQXSA-N -1 0 325.368 2.569 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(=O)[O-] ZINC001588793035 984214984 /nfs/dbraw/zinc/21/49/84/984214984.db2.gz JZTOTLKRPYTEQL-INIZCTEOSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(=O)[O-] ZINC001588793037 984215045 /nfs/dbraw/zinc/21/50/45/984215045.db2.gz JZTOTLKRPYTEQL-MRXNPFEDSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1)C(=O)[O-] ZINC001588793129 984216423 /nfs/dbraw/zinc/21/64/23/984216423.db2.gz TXCYGFWLUJXRCA-CYBMUJFWSA-N -1 0 348.399 2.576 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2ncnn2CC)cc1)C(=O)[O-] ZINC001588793312 984217546 /nfs/dbraw/zinc/21/75/46/984217546.db2.gz WGZDRMNQZLPIHP-OAHLLOKOSA-N -1 0 342.399 2.504 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc([C@H](C)OCC)s1)C(=O)[O-] ZINC001588793367 984218317 /nfs/dbraw/zinc/21/83/17/984218317.db2.gz PPRUXVRGMYFDIF-QWRGUYRKSA-N -1 0 326.418 2.780 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc([C@H](C)OCC)s1)C(=O)[O-] ZINC001588793368 984218458 /nfs/dbraw/zinc/21/84/58/984218458.db2.gz PPRUXVRGMYFDIF-WDEREUQCSA-N -1 0 326.418 2.780 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc([C@@H](C)OCC)s1)C(=O)[O-] ZINC001588793365 984218500 /nfs/dbraw/zinc/21/85/00/984218500.db2.gz PPRUXVRGMYFDIF-GHMZBOCLSA-N -1 0 326.418 2.780 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)C(=O)[O-] ZINC001588793412 984218825 /nfs/dbraw/zinc/21/88/25/984218825.db2.gz XKYABPCUNBIKSI-MRXNPFEDSA-N -1 0 345.374 2.766 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(OCC)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588794350 984226570 /nfs/dbraw/zinc/22/65/70/984226570.db2.gz ROAZGUJPNCNVEP-LLVKDONJSA-N -1 0 336.344 2.533 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1nc(SC)n2ccccc12)C(=O)[O-] ZINC001588797897 984231621 /nfs/dbraw/zinc/23/16/21/984231621.db2.gz NAHNVDIOIHXPFA-NSHDSACASA-N -1 0 333.413 2.596 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC001588798637 984237814 /nfs/dbraw/zinc/23/78/14/984237814.db2.gz MKJLDSBYRRNTRM-GFCCVEGCSA-N -1 0 339.438 2.989 20 30 EFEDRM CCNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001596494934 984239317 /nfs/dbraw/zinc/23/93/17/984239317.db2.gz ZJHCFQITADCDDA-UHFFFAOYSA-N -1 0 328.368 2.916 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001588799746 984241449 /nfs/dbraw/zinc/24/14/49/984241449.db2.gz FCHFFLGJEHVUJV-UHFFFAOYSA-N -1 0 346.836 2.848 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588802420 984249025 /nfs/dbraw/zinc/24/90/25/984249025.db2.gz LPQODKFHBREVJU-UHFFFAOYSA-N -1 0 340.379 2.901 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1 ZINC001588814769 984272948 /nfs/dbraw/zinc/27/29/48/984272948.db2.gz QILXNMXOYKZNEX-CZUORRHYSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCSCCNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588814865 984274173 /nfs/dbraw/zinc/27/41/73/984274173.db2.gz VTFCRYPCASWRNQ-UHFFFAOYSA-N -1 0 334.441 2.762 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(C)C ZINC001588819875 984279590 /nfs/dbraw/zinc/27/95/90/984279590.db2.gz FTVFFCSYWLPHDD-UHFFFAOYSA-N -1 0 346.408 2.961 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001588819995 984280979 /nfs/dbraw/zinc/28/09/79/984280979.db2.gz LYUDVTKHCZMULF-UHFFFAOYSA-N -1 0 338.363 2.654 20 30 EFEDRM C=CCCn1cc(CN2CCCCc3cc(C(=O)[O-])ccc32)nn1 ZINC001588820157 984282410 /nfs/dbraw/zinc/28/24/10/984282410.db2.gz TYXXUOHURJCQLD-UHFFFAOYSA-N -1 0 326.400 2.895 20 30 EFEDRM C=CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)Cc1cccc(C#N)c1 ZINC001588824041 984296349 /nfs/dbraw/zinc/29/63/49/984296349.db2.gz MMAVJJZYNRYHPB-UHFFFAOYSA-N -1 0 337.379 2.764 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001588828588 984307729 /nfs/dbraw/zinc/30/77/29/984307729.db2.gz BUBUKNSKWDXRJM-KRWDZBQOSA-N -1 0 330.428 2.928 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588831652 984315602 /nfs/dbraw/zinc/31/56/02/984315602.db2.gz GOMDKFLFIFHISF-OSRDXIQISA-N -1 0 334.441 2.945 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588831651 984315668 /nfs/dbraw/zinc/31/56/68/984315668.db2.gz GOMDKFLFIFHISF-GBOPCIDUSA-N -1 0 334.441 2.945 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588832360 984321687 /nfs/dbraw/zinc/32/16/87/984321687.db2.gz GAIHUBHTNKKORO-VCBZYWHSSA-N -1 0 344.411 2.646 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001588832505 984323017 /nfs/dbraw/zinc/32/30/17/984323017.db2.gz IEZVLHYLWVJEFC-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001588844220 984356788 /nfs/dbraw/zinc/35/67/88/984356788.db2.gz UABQJYBIXYSUPD-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM C=CCNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001588844456 984357955 /nfs/dbraw/zinc/35/79/55/984357955.db2.gz HHKFAJSSFYZSNR-UHFFFAOYSA-N -1 0 327.384 2.941 20 30 EFEDRM C=CCNC(=S)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588845512 984363595 /nfs/dbraw/zinc/36/35/95/984363595.db2.gz TXBHQUUFZKKHFK-UHFFFAOYSA-N -1 0 333.438 2.658 20 30 EFEDRM C=CCNC(=S)NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001588845564 984364155 /nfs/dbraw/zinc/36/41/55/984364155.db2.gz XGQBQRKKYXZWLQ-UHFFFAOYSA-N -1 0 329.381 2.629 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC001588849281 984369956 /nfs/dbraw/zinc/36/99/56/984369956.db2.gz IGAQNROJJCSNJI-AWEZNQCLSA-N -1 0 345.424 2.914 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588853632 984384953 /nfs/dbraw/zinc/38/49/53/984384953.db2.gz CXZFOJDEOWPAIT-OOPCZODUSA-N -1 0 344.194 2.779 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588853630 984385009 /nfs/dbraw/zinc/38/50/09/984385009.db2.gz CXZFOJDEOWPAIT-DHCBQETCSA-N -1 0 344.194 2.779 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588853826 984386421 /nfs/dbraw/zinc/38/64/21/984386421.db2.gz JHUJHHJAHRQPAW-SYJIQKIWSA-N -1 0 343.354 2.764 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)[O-] ZINC001588859607 984406893 /nfs/dbraw/zinc/40/68/93/984406893.db2.gz RFQIWXSDMGRSRM-LLVKDONJSA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001588861379 984415366 /nfs/dbraw/zinc/41/53/66/984415366.db2.gz HKVQJMXTJPXHPK-AWEZNQCLSA-N -1 0 341.791 2.513 20 30 EFEDRM C=CCONC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588868499 984433160 /nfs/dbraw/zinc/43/31/60/984433160.db2.gz ICFIVNWZZWGZHY-UHFFFAOYSA-N -1 0 333.369 2.676 20 30 EFEDRM C=CCOCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588869108 984438330 /nfs/dbraw/zinc/43/83/30/984438330.db2.gz SCWYTELQGWLFEV-UHFFFAOYSA-N -1 0 342.779 2.518 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588869534 984439179 /nfs/dbraw/zinc/43/91/79/984439179.db2.gz JJOXLTMZMSNGKY-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001588872931 984443151 /nfs/dbraw/zinc/44/31/51/984443151.db2.gz UGDWCNTURSKUDD-UGSOOPFHSA-N -1 0 330.384 2.970 20 30 EFEDRM C=CCOc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1OC ZINC001588873485 984444098 /nfs/dbraw/zinc/44/40/98/984444098.db2.gz BLQCSOBRARELFG-UHFFFAOYSA-N -1 0 346.383 2.971 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001588873665 984444654 /nfs/dbraw/zinc/44/46/54/984444654.db2.gz FUSAHVZOYVIEJL-MRXNPFEDSA-N -1 0 329.396 2.507 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588877170 984451603 /nfs/dbraw/zinc/45/16/03/984451603.db2.gz AABSOBRWXNXZPC-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001588877261 984452267 /nfs/dbraw/zinc/45/22/67/984452267.db2.gz FYVCGEOSDNLIEN-UHFFFAOYSA-N -1 0 329.312 2.865 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC[C@@H]1OC ZINC001588881637 984461012 /nfs/dbraw/zinc/46/10/12/984461012.db2.gz DGYVBUVDWUBWSG-KGLIPLIRSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(C#N)n1 ZINC001588884888 984464476 /nfs/dbraw/zinc/46/44/76/984464476.db2.gz FYHGUSZRYGFOSB-UHFFFAOYSA-N -1 0 338.319 2.608 20 30 EFEDRM C=CCc1ccc(OCC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c(OC)c1 ZINC001588885141 984465894 /nfs/dbraw/zinc/46/58/94/984465894.db2.gz CEWFQMNHVOPNIW-ZDUSSCGKSA-N -1 0 347.411 2.657 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(F)n1 ZINC001588885448 984467679 /nfs/dbraw/zinc/46/76/79/984467679.db2.gz RROCHWQYPJLHBD-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588886140 984470965 /nfs/dbraw/zinc/47/09/65/984470965.db2.gz ARLXXGYIADCRCY-INIZCTEOSA-N -1 0 332.429 2.802 20 30 EFEDRM C=CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588888892 984476305 /nfs/dbraw/zinc/47/63/05/984476305.db2.gz HRGOVSUUIJROMQ-DGCLKSJQSA-N -1 0 346.818 2.941 20 30 EFEDRM C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588889339 984478892 /nfs/dbraw/zinc/47/88/92/984478892.db2.gz QNUJZAQQWBVAMX-AWEZNQCLSA-N -1 0 337.383 2.523 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588890231 984484777 /nfs/dbraw/zinc/48/47/77/984484777.db2.gz UJBGPSBEFHSGBR-QWHCGFSZSA-N -1 0 344.390 2.817 20 30 EFEDRM C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895907 984497259 /nfs/dbraw/zinc/49/72/59/984497259.db2.gz NZFZHHMZRCNSHX-GUYCJALGSA-N -1 0 331.420 2.562 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(C(=O)[O-])co2)c1C ZINC001588896051 984498405 /nfs/dbraw/zinc/49/84/05/984498405.db2.gz DSKYKQJJZDENDN-UHFFFAOYSA-N -1 0 331.324 2.622 20 30 EFEDRM C=CCn1c(CCC)nnc1N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588896662 984503902 /nfs/dbraw/zinc/50/39/02/984503902.db2.gz DISKUYREYJYBBM-LLVKDONJSA-N -1 0 347.444 2.565 20 30 EFEDRM C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897264 984508773 /nfs/dbraw/zinc/50/87/73/984508773.db2.gz JBJSUBWTXFTZBV-JHJVBQTASA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC[C@@](C)(C(=O)[O-])C2)c1=S ZINC001588897258 984508850 /nfs/dbraw/zinc/50/88/50/984508850.db2.gz PIFWMTYPVYBPKK-MRXNPFEDSA-N -1 0 336.461 2.622 20 30 EFEDRM C=CCn1c([C@@H](C)C2CCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897474 984510581 /nfs/dbraw/zinc/51/05/81/984510581.db2.gz ZONNYCUSMJQSAF-VNHYZAJKSA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCn1c([C@@H]2CC=CCC2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588897590 984511764 /nfs/dbraw/zinc/51/17/64/984511764.db2.gz RSPYGNRGXYGMQB-IYOUNJFTSA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC001588907186 984538366 /nfs/dbraw/zinc/53/83/66/984538366.db2.gz GLGCJUVWHHCKCN-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1ccccc1C ZINC001588907158 984538395 /nfs/dbraw/zinc/53/83/95/984538395.db2.gz DOGCPBFZMNZQHD-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM C=CCn1c(SCSc2nccc(C(=O)[O-])n2)nnc1C1CC1 ZINC001588907354 984538830 /nfs/dbraw/zinc/53/88/30/984538830.db2.gz KGQYWMFUEOGNKI-UHFFFAOYSA-N -1 0 349.441 2.672 20 30 EFEDRM C=CCn1c(SCC(=O)c2cc(C(=O)[O-])[nH]c2C)nnc1C1CC1 ZINC001588907711 984539850 /nfs/dbraw/zinc/53/98/50/984539850.db2.gz VAJDUFGIXKSJPC-UHFFFAOYSA-N -1 0 346.412 2.651 20 30 EFEDRM C=CCn1cc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)nn1 ZINC001588909445 984544317 /nfs/dbraw/zinc/54/43/17/984544317.db2.gz UOAJUBYOTBTMDP-ZDUSSCGKSA-N -1 0 341.198 2.686 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588914201 984557328 /nfs/dbraw/zinc/55/73/28/984557328.db2.gz QFPNUPABHGFGLD-PMPSAXMXSA-N -1 0 332.400 2.544 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588916496 984560952 /nfs/dbraw/zinc/56/09/52/984560952.db2.gz PNSMGRMESIQXPF-AGIUHOORSA-N -1 0 343.301 2.696 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001588916500 984561126 /nfs/dbraw/zinc/56/11/26/984561126.db2.gz PQFLMSLKHNPDHT-FRRDWIJNSA-N -1 0 326.295 2.825 20 30 EFEDRM CC#CCNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588931949 984604744 /nfs/dbraw/zinc/60/47/44/984604744.db2.gz HDIYJXVCHSREQU-UHFFFAOYSA-N -1 0 325.162 2.601 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCc2cncc(C(=O)[O-])c2)n1 ZINC001596713074 984931169 /nfs/dbraw/zinc/93/11/69/984931169.db2.gz CRTCMZJRYCYKFJ-UHFFFAOYSA-N -1 0 343.364 2.515 20 30 EFEDRM C/C(=C\c1ccccc1Cl)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589003696 984955914 /nfs/dbraw/zinc/95/59/14/984955914.db2.gz IKEJHHRHLJWYSO-ZRDIBKRKSA-N -1 0 332.787 2.960 20 30 EFEDRM CC(=NNCCCOCc1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001589016577 984996310 /nfs/dbraw/zinc/99/63/10/984996310.db2.gz BDALRLIQOBFBDJ-UHFFFAOYSA-N -1 0 327.384 2.700 20 30 EFEDRM CC(=NNC[C@@H]1COc2ccccc2O1)c1cc(C(=O)[O-])cs1 ZINC001589016812 984998558 /nfs/dbraw/zinc/99/85/58/984998558.db2.gz JUVHWWSMLRYKIE-GFCCVEGCSA-N -1 0 332.381 2.600 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001589017431 985003807 /nfs/dbraw/zinc/00/38/07/985003807.db2.gz OGPVOESMTKSGEO-UHFFFAOYSA-N -1 0 342.355 2.969 20 30 EFEDRM CC(N=Nc1ncnc2sccc21)c1ccc(OCC(=O)[O-])cc1 ZINC001589017569 985004912 /nfs/dbraw/zinc/00/49/12/985004912.db2.gz VDQVJZRFLXDXAT-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM CC(=NOCc1noc(C(C)(C)C)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001589020360 985006667 /nfs/dbraw/zinc/00/66/67/985006667.db2.gz AWIZSCPHRPYKIP-UHFFFAOYSA-N -1 0 347.371 2.771 20 30 EFEDRM CCOC(=O)c1cnn(Cc2cccc(C(=O)[O-])c2C#N)c1C(F)F ZINC001596742682 985053101 /nfs/dbraw/zinc/05/31/01/985053101.db2.gz AUOZYFJEFDDVST-UHFFFAOYSA-N -1 0 349.293 2.616 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1cc(C(=O)[O-])cs1 ZINC001596761083 985149863 /nfs/dbraw/zinc/14/98/63/985149863.db2.gz OKVZXMLDWBFMLU-ARJAWSKDSA-N -1 0 337.378 2.976 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)c2cc(C(=O)[O-])co2)c(C#N)c1C ZINC001596761422 985153936 /nfs/dbraw/zinc/15/39/36/985153936.db2.gz VVIFMVKKFAHUBT-UHFFFAOYSA-N -1 0 348.336 2.648 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001599942336 985470647 /nfs/dbraw/zinc/47/06/47/985470647.db2.gz FVCZPEONIGEAQI-XJKSGUPXSA-N -1 0 329.400 2.690 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001599942334 985470760 /nfs/dbraw/zinc/47/07/60/985470760.db2.gz FVCZPEONIGEAQI-CJNGLKHVSA-N -1 0 329.400 2.690 20 30 EFEDRM CC(=O)Nc1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001589206088 985676108 /nfs/dbraw/zinc/67/61/08/985676108.db2.gz QQOMXMVMKUUXLZ-UHFFFAOYSA-N -1 0 349.390 2.773 20 30 EFEDRM CC(=O)[C@@H]1C[C@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC001589231022 985782405 /nfs/dbraw/zinc/78/24/05/985782405.db2.gz PPMLMWZNHNCSHK-VYDXJSESSA-N -1 0 343.379 2.869 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ncc(Cl)c(C)c1C#N ZINC001596914586 985928203 /nfs/dbraw/zinc/92/82/03/985928203.db2.gz BPVBDIRCPLVGDQ-LLVKDONJSA-N -1 0 339.823 2.869 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(F)c1 ZINC001589279385 986003622 /nfs/dbraw/zinc/00/36/22/986003622.db2.gz PWVFNJJFXHLTGT-MRXNPFEDSA-N -1 0 341.294 2.883 20 30 EFEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccn1 ZINC001599974808 986072011 /nfs/dbraw/zinc/07/20/11/986072011.db2.gz JMTJCGZQKHWPSE-SREVYHEPSA-N -1 0 336.351 2.509 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001599976227 986095454 /nfs/dbraw/zinc/09/54/54/986095454.db2.gz UPANGSXZTHRHIE-INIZCTEOSA-N -1 0 332.356 2.720 20 30 EFEDRM CCOCc1nc(Cl)cc(NN=Cc2cc(C(=O)[O-])oc2C)n1 ZINC001596952583 986125510 /nfs/dbraw/zinc/12/55/10/986125510.db2.gz UJPYHGJBPICJPN-UHFFFAOYSA-N -1 0 338.751 2.712 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599983173 986192323 /nfs/dbraw/zinc/19/23/23/986192323.db2.gz CQQFXXSZNJEYNW-RQJABVFESA-N -1 0 340.404 2.920 20 30 EFEDRM CC(C)[C@H](NC(=O)CNc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001589331827 986192389 /nfs/dbraw/zinc/19/23/89/986192389.db2.gz PZSWNOTXWVVAMV-LRDDRELGSA-N -1 0 349.456 2.576 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001589334111 986198374 /nfs/dbraw/zinc/19/83/74/986198374.db2.gz AIMCLDSYHJOWCM-SNVBAGLBSA-N -1 0 328.328 2.658 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001589334567 986203171 /nfs/dbraw/zinc/20/31/71/986203171.db2.gz GSQPJNUFGSVGAW-OLZOCXBDSA-N -1 0 343.383 2.696 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2ncccc2C(F)(F)F)n1C ZINC001599984138 986206956 /nfs/dbraw/zinc/20/69/56/986206956.db2.gz BSTOXEQNHLOYRC-UHFFFAOYSA-N -1 0 326.278 2.892 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])n1C ZINC001596993621 986285705 /nfs/dbraw/zinc/28/57/05/986285705.db2.gz NTPMGGMKRBXUCO-UHFFFAOYSA-N -1 0 348.742 2.866 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC001594566876 986355035 /nfs/dbraw/zinc/35/50/35/986355035.db2.gz DFFYWUIPVBTERA-CQSZACIVSA-N -1 0 349.390 2.607 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1C#N ZINC001594569351 986379587 /nfs/dbraw/zinc/37/95/87/986379587.db2.gz PNLIKQDJBNDGPQ-HNNXBMFYSA-N -1 0 335.407 2.967 20 30 EFEDRM CCOc1cc(Cl)ccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597038296 986484140 /nfs/dbraw/zinc/48/41/40/986484140.db2.gz JYCRKMQZCNSGFT-UHFFFAOYSA-N -1 0 336.775 2.569 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(CC#N)CCC(=O)[O-] ZINC001589434959 986741199 /nfs/dbraw/zinc/74/11/99/986741199.db2.gz ALOIEWBRMIWOAZ-VIFPVBQESA-N -1 0 344.198 2.621 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)CCCCOc1cccc(C#N)c1)C1CCC1 ZINC001589472545 986967617 /nfs/dbraw/zinc/96/76/17/986967617.db2.gz QUNGFMQMCOHVQC-CQSZACIVSA-N -1 0 344.411 2.962 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594722018 987207903 /nfs/dbraw/zinc/20/79/03/987207903.db2.gz HHZOMTRFALPNCW-BXKDBHETSA-N -1 0 328.290 2.887 20 30 EFEDRM CCC(C#N)(CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001594722148 987209255 /nfs/dbraw/zinc/20/92/55/987209255.db2.gz KCFPTMOHWQZOIL-UHFFFAOYSA-N -1 0 332.385 2.966 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594722457 987212571 /nfs/dbraw/zinc/21/25/71/987212571.db2.gz PTCVQNMTNHGWBP-BXKDBHETSA-N -1 0 344.289 2.767 20 30 EFEDRM CCC(C#N)(CC)C(=O)OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001594722811 987216466 /nfs/dbraw/zinc/21/64/66/987216466.db2.gz WCXLJZZKKPPRQV-UHFFFAOYSA-N -1 0 332.356 2.505 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001594725235 987228133 /nfs/dbraw/zinc/22/81/33/987228133.db2.gz PEZACFKLPQPMIM-CYBMUJFWSA-N -1 0 342.351 2.897 20 30 EFEDRM CC(C)(C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1Cl ZINC001589560673 987315242 /nfs/dbraw/zinc/31/52/42/987315242.db2.gz MDGOBXJINGREFL-UHFFFAOYSA-N -1 0 334.803 2.835 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001597363945 987531916 /nfs/dbraw/zinc/53/19/16/987531916.db2.gz NZVGFUBOORHTHQ-NSHDSACASA-N -1 0 325.368 2.946 20 30 EFEDRM CCc1cc(C#N)ccc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001597423403 987744329 /nfs/dbraw/zinc/74/43/29/987744329.db2.gz AKALQBZVJLSTKK-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001597424609 987748439 /nfs/dbraw/zinc/74/84/39/987748439.db2.gz TVQPOJQMNWPJIZ-UHFFFAOYSA-N -1 0 349.339 2.726 20 30 EFEDRM CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589699617 987786643 /nfs/dbraw/zinc/78/66/43/987786643.db2.gz MWPRHIBALLEQJV-GOSISDBHSA-N -1 0 340.383 2.629 20 30 EFEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001589699750 987787587 /nfs/dbraw/zinc/78/75/87/987787587.db2.gz QNMKSAHUYFHNQZ-CQSZACIVSA-N -1 0 344.820 2.645 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001589712139 987843138 /nfs/dbraw/zinc/84/31/38/987843138.db2.gz PMJGSHYPPXUTBM-OAHLLOKOSA-N -1 0 328.412 2.986 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001597494687 988036920 /nfs/dbraw/zinc/03/69/20/988036920.db2.gz GKCKLBWLCLKSNE-FQEVSTJZSA-N -1 0 336.391 2.502 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC001597506830 988079670 /nfs/dbraw/zinc/07/96/70/988079670.db2.gz NZVSCSBRHUROKC-UHFFFAOYSA-N -1 0 339.347 2.998 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597508764 988088226 /nfs/dbraw/zinc/08/82/26/988088226.db2.gz UCLZRQDTSBSKBO-CQSZACIVSA-N -1 0 325.368 2.887 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597543036 988236208 /nfs/dbraw/zinc/23/62/08/988236208.db2.gz PSCWLGUBKSFBLY-AWEZNQCLSA-N -1 0 340.335 2.810 20 30 EFEDRM CSc1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C#N ZINC001599812739 988366082 /nfs/dbraw/zinc/36/60/82/988366082.db2.gz BYUVKSDTQYQXDR-QPJJXVBHSA-N -1 0 342.376 2.901 20 30 EFEDRM CSc1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1C(=O)[O-] ZINC001599817501 988452488 /nfs/dbraw/zinc/45/24/88/988452488.db2.gz MTHFCDPILWIAAK-UHFFFAOYSA-N -1 0 344.396 2.778 20 30 EFEDRM CSc1ccc(NC(=O)c2cc(C)c(C#N)cn2)cc1C(=O)[O-] ZINC001599818866 988476888 /nfs/dbraw/zinc/47/68/88/988476888.db2.gz DLOUYCLVHLMRGS-UHFFFAOYSA-N -1 0 327.365 2.934 20 30 EFEDRM CCc1nc(C#N)cc(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001597646548 988668030 /nfs/dbraw/zinc/66/80/30/988668030.db2.gz CISLNVIXFSEVCZ-UHFFFAOYSA-N -1 0 340.383 2.766 20 30 EFEDRM CCc1nc(C#N)cc(N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001597647142 988673630 /nfs/dbraw/zinc/67/36/30/988673630.db2.gz SYYHFRLQMJFUPZ-NSHDSACASA-N -1 0 326.356 2.547 20 30 EFEDRM C[C@@H](OC(=O)CCCn1ccc(C(=O)[O-])n1)c1cccc(C#N)c1 ZINC001599845677 988927199 /nfs/dbraw/zinc/92/71/99/988927199.db2.gz PRCGVBKLZXWIQX-GFCCVEGCSA-N -1 0 327.340 2.538 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)c1ccccc1 ZINC001597777577 989248903 /nfs/dbraw/zinc/24/89/03/989248903.db2.gz AMTIQKVCJBMCAS-UHFFFAOYSA-N -1 0 348.380 2.649 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC001597790495 989311890 /nfs/dbraw/zinc/31/18/90/989311890.db2.gz FFLXIOPKCQMIFX-UHFFFAOYSA-N -1 0 349.364 2.796 20 30 EFEDRM CCc1oc(CN=Nc2nnc(-c3ccccc3)n2C)cc1C(=O)[O-] ZINC001597793216 989341390 /nfs/dbraw/zinc/34/13/90/989341390.db2.gz WKRAGNJDVZJGDV-UHFFFAOYSA-N -1 0 339.355 2.782 20 30 EFEDRM CCc1oc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)[O-] ZINC001597800118 989389698 /nfs/dbraw/zinc/38/96/98/989389698.db2.gz YAAHJHIMBMBLNH-UHFFFAOYSA-N -1 0 339.395 2.734 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597860577 989636260 /nfs/dbraw/zinc/63/62/60/989636260.db2.gz WITAJSYSFQVPNK-UHFFFAOYSA-N -1 0 348.362 2.807 20 30 EFEDRM CCn1cc(C(=O)/C=C/c2cc(C)c(OCC(=O)[O-])c(C)c2)cn1 ZINC001597876177 989689457 /nfs/dbraw/zinc/68/94/57/989689457.db2.gz UIKMBFDESWKUQV-AATRIKPKSA-N -1 0 328.368 2.879 20 30 EFEDRM CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC001597981578 990046057 /nfs/dbraw/zinc/04/60/57/990046057.db2.gz CHLQTJPIHDAVPS-UHFFFAOYSA-N -1 0 339.313 2.913 20 30 EFEDRM CC(C)(C)c1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1 ZINC001590492474 990091756 /nfs/dbraw/zinc/09/17/56/990091756.db2.gz CCSJNJAWGQJMHE-UHFFFAOYSA-N -1 0 330.388 2.601 20 30 EFEDRM CC(C)(C)c1ccccc1OCC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590505605 990120300 /nfs/dbraw/zinc/12/03/00/990120300.db2.gz KYTQBWXGKMVQAZ-UHFFFAOYSA-N -1 0 344.411 2.580 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001590586907 990232163 /nfs/dbraw/zinc/23/21/63/990232163.db2.gz ACQPTAIZKGMFFI-QWHCGFSZSA-N -1 0 332.404 2.880 20 30 EFEDRM CC(C)(CC#N)CNC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001590615002 990285646 /nfs/dbraw/zinc/28/56/46/990285646.db2.gz FCBVLILHLATSHC-UHFFFAOYSA-N -1 0 347.415 2.669 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001590655804 990351557 /nfs/dbraw/zinc/35/15/57/990351557.db2.gz DIPLJLJGJLEROF-UHFFFAOYSA-N -1 0 338.433 2.957 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)CC(=O)[O-] ZINC001590716586 990477873 /nfs/dbraw/zinc/47/78/73/990477873.db2.gz CQGIQQJOCRCOTF-CVEARBPZSA-N -1 0 343.427 2.969 20 30 EFEDRM CC(C)(COCC(F)F)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001590787504 990605344 /nfs/dbraw/zinc/60/53/44/990605344.db2.gz PXUDQOFXAVEMNO-UHFFFAOYSA-N -1 0 341.310 2.608 20 30 EFEDRM CC(C)(CS(=O)(=O)Oc1c(C#N)ccc2ccccc21)C(=O)[O-] ZINC001590811982 990642114 /nfs/dbraw/zinc/64/21/14/990642114.db2.gz DVLFHKVKACEISB-UHFFFAOYSA-N -1 0 333.365 2.531 20 30 EFEDRM CN(C)[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001598165297 990679302 /nfs/dbraw/zinc/67/93/02/990679302.db2.gz NFRQHDPOJAOTHQ-DLBZAZTESA-N -1 0 338.363 2.530 20 30 EFEDRM CN(C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001598167005 990684910 /nfs/dbraw/zinc/68/49/10/990684910.db2.gz YTEHJBNJUMHDLT-QGZVFWFLSA-N -1 0 338.363 2.603 20 30 EFEDRM CN(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001598167004 990684967 /nfs/dbraw/zinc/68/49/67/990684967.db2.gz YTEHJBNJUMHDLT-KRWDZBQOSA-N -1 0 338.363 2.603 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590904702 990865918 /nfs/dbraw/zinc/86/59/18/990865918.db2.gz IPNZSNTVFGZTLL-DZGCQCFKSA-N -1 0 331.368 2.902 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590904707 990866119 /nfs/dbraw/zinc/86/61/19/990866119.db2.gz IPNZSNTVFGZTLL-ZFWWWQNUSA-N -1 0 331.368 2.902 20 30 EFEDRM COc1ccccc1-c1nc(CN2CCC(C#N)(C(=O)[O-])CC2)co1 ZINC001599695021 991135204 /nfs/dbraw/zinc/13/52/04/991135204.db2.gz GMIVQCBFBDNMKB-UHFFFAOYSA-N -1 0 341.367 2.541 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC001598287217 991186157 /nfs/dbraw/zinc/18/61/57/991186157.db2.gz CWYDDIFZGROLCU-UHFFFAOYSA-N -1 0 349.390 2.915 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001598287254 991187036 /nfs/dbraw/zinc/18/70/36/991187036.db2.gz FKHJDDIPTQFPDW-QGZVFWFLSA-N -1 0 343.427 2.635 20 30 EFEDRM COc1ccccc1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599704334 991269793 /nfs/dbraw/zinc/26/97/93/991269793.db2.gz RSZUYJVOUABOEB-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ccccc1C[C@](C)(OC(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC001599705726 991289888 /nfs/dbraw/zinc/28/98/88/991289888.db2.gz WNEPGBCBUTZXTJ-KRWDZBQOSA-N -1 0 345.376 2.871 20 30 EFEDRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001591045577 991422131 /nfs/dbraw/zinc/42/21/31/991422131.db2.gz KWLVTJWGBMVHQJ-OAHLLOKOSA-N -1 0 338.791 2.570 20 30 EFEDRM CC(C)CN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc(C#N)cc1 ZINC001591281648 992217566 /nfs/dbraw/zinc/21/75/66/992217566.db2.gz WKVXEZFSOPHUHT-DOTOQJQBSA-N -1 0 344.411 2.817 20 30 EFEDRM CC(C)CN(CCC#N)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591322271 992293017 /nfs/dbraw/zinc/29/30/17/992293017.db2.gz VHQCNKXCWKYJES-UHFFFAOYSA-N -1 0 327.384 2.807 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccccc1SCC#N ZINC001591428576 992517323 /nfs/dbraw/zinc/51/73/23/992517323.db2.gz KTKUWUHBTXTWOR-AWEZNQCLSA-N -1 0 349.456 2.672 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598509142 992545412 /nfs/dbraw/zinc/54/54/12/992545412.db2.gz CWXUMWKEUXFMDL-UHFFFAOYSA-N -1 0 325.324 2.730 20 30 EFEDRM CC(C)Cn1c(CC(C)(C)C#N)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591512967 992667553 /nfs/dbraw/zinc/66/75/53/992667553.db2.gz BNSZPVAQRYWCAH-UGSOOPFHSA-N -1 0 347.463 2.573 20 30 EFEDRM C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001593078781 993644687 /nfs/dbraw/zinc/64/46/87/993644687.db2.gz NINDADKYWNBHAK-VVFCZOMOSA-N -1 0 341.411 2.906 20 30 EFEDRM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593079471 993648076 /nfs/dbraw/zinc/64/80/76/993648076.db2.gz UGYAJJVWGDLBPS-VHSXEESVSA-N -1 0 344.396 2.834 20 30 EFEDRM COc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1C#N ZINC001599594022 993725975 /nfs/dbraw/zinc/72/59/75/993725975.db2.gz KFDBJMQMAHGWGV-UHFFFAOYSA-N -1 0 339.351 2.629 20 30 EFEDRM COc1ccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C#N ZINC001599595356 993741659 /nfs/dbraw/zinc/74/16/59/993741659.db2.gz ZZPHIZDEXPNKQR-ZDUSSCGKSA-N -1 0 345.399 2.922 20 30 EFEDRM C[C@@H](NC(=O)Nc1sccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593126196 993869009 /nfs/dbraw/zinc/86/90/09/993869009.db2.gz ZAOSVDSJAPSTAE-SNVBAGLBSA-N -1 0 345.380 2.966 20 30 EFEDRM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ncc(C(=O)[O-])s1 ZINC001593145704 993941773 /nfs/dbraw/zinc/94/17/73/993941773.db2.gz HESDQZCEVTXTIG-QMMMGPOBSA-N -1 0 340.364 2.685 20 30 EFEDRM C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593161264 993992052 /nfs/dbraw/zinc/99/20/52/993992052.db2.gz APGDUQUHOMHYBG-ZDUSSCGKSA-N -1 0 338.363 2.707 20 30 EFEDRM COc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1F ZINC001599646015 994425281 /nfs/dbraw/zinc/42/52/81/994425281.db2.gz NRSFRWKWJQZUQD-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(C#N)ccc2F)c1 ZINC001599649410 994474124 /nfs/dbraw/zinc/47/41/24/994474124.db2.gz FFSXDRPJLPLGGT-KRWDZBQOSA-N -1 0 328.343 2.964 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)c1 ZINC001599654461 994555736 /nfs/dbraw/zinc/55/57/36/994555736.db2.gz ZVCKCRIKYSGUEZ-IBGZPJMESA-N -1 0 338.363 2.687 20 30 EFEDRM COc1cccc([C@@H](C)CCCC(=O)N(CC#N)CCC(=O)[O-])c1 ZINC001599655201 994567244 /nfs/dbraw/zinc/56/72/44/994567244.db2.gz LOAPPFHSVBICMW-AWEZNQCLSA-N -1 0 332.400 2.796 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NCc2nc(C#N)cs2)c1 ZINC001599655651 994575226 /nfs/dbraw/zinc/57/52/26/994575226.db2.gz NBNSXWMONUMPFW-INIZCTEOSA-N -1 0 331.397 2.503 20 30 EFEDRM C[C@@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292325 994676004 /nfs/dbraw/zinc/67/60/04/994676004.db2.gz KIUATZSGPJJKPZ-KRWDZBQOSA-N -1 0 343.314 2.695 20 30 EFEDRM COc1cccc([C@@H](OC(=O)Cc2ccccc2CC#N)C(=O)[O-])c1 ZINC001599662911 994683079 /nfs/dbraw/zinc/68/30/79/994683079.db2.gz VPXLBKYSHXKTRL-GOSISDBHSA-N -1 0 339.347 2.673 20 30 EFEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2c(c1)CC(=O)N2C ZINC001593303253 994733190 /nfs/dbraw/zinc/73/31/90/994733190.db2.gz AEUCZMPKWUDBMG-LBPRGKRZSA-N -1 0 349.390 2.626 20 30 EFEDRM CNc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(Cl)n1 ZINC001598675883 994842190 /nfs/dbraw/zinc/84/21/90/994842190.db2.gz IYLJAJDMYXOOJB-CQSZACIVSA-N -1 0 345.742 2.631 20 30 EFEDRM C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365779 995044228 /nfs/dbraw/zinc/04/42/28/995044228.db2.gz JHNWOAWUMAHOCQ-VBNZEHGJSA-N -1 0 341.411 2.791 20 30 EFEDRM COC(=O)[C@H](C)Cc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001598691266 995069094 /nfs/dbraw/zinc/06/90/94/995069094.db2.gz WROZOTIBMMCUQJ-LLVKDONJSA-N -1 0 339.351 2.747 20 30 EFEDRM COC(=O)[C@H](Sc1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001598710624 995344624 /nfs/dbraw/zinc/34/46/24/995344624.db2.gz FZFCUGQDRFPQOT-LLVKDONJSA-N -1 0 334.378 2.719 20 30 EFEDRM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1cc(C(=O)[O-])co1 ZINC001593537228 995602518 /nfs/dbraw/zinc/60/25/18/995602518.db2.gz LSZHOACSUVKUPY-NSHDSACASA-N -1 0 329.308 2.727 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)c1ccccc1 ZINC001593610792 995804503 /nfs/dbraw/zinc/80/45/03/995804503.db2.gz JRFUSRJQKWRAQN-ZDUSSCGKSA-N -1 0 326.352 2.787 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCc1ccccc1C(=O)[O-] ZINC001593612039 995812273 /nfs/dbraw/zinc/81/22/73/995812273.db2.gz JFNJKDVGJLJQSL-CYBMUJFWSA-N -1 0 339.347 2.810 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2ccccc2CC#N)cc1F)C(=O)[O-] ZINC001593633556 995923730 /nfs/dbraw/zinc/92/37/30/995923730.db2.gz IJCPHPVEMVYGGG-NSHDSACASA-N -1 0 342.326 2.996 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2sccc2C#N)cc1F)C(=O)[O-] ZINC001593633914 995924496 /nfs/dbraw/zinc/92/44/96/995924496.db2.gz KYLDKFYVPFDVGJ-QMMMGPOBSA-N -1 0 334.328 2.863 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1F)C(=O)[O-] ZINC001593634627 995927037 /nfs/dbraw/zinc/92/70/37/995927037.db2.gz WKHWAPAEMTUGAA-JTQLQIEISA-N -1 0 328.299 2.802 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001593641434 995951517 /nfs/dbraw/zinc/95/15/17/995951517.db2.gz KPLZBWAEVHQKHE-LRDDRELGSA-N -1 0 325.320 2.695 20 30 EFEDRM CC(C)c1nccnc1N=NCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001593644983 995969162 /nfs/dbraw/zinc/96/91/62/995969162.db2.gz NYFSJGOSZPNZOO-GFCCVEGCSA-N -1 0 328.372 2.898 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(C#N)n1)C(=O)[O-] ZINC001593672470 996076650 /nfs/dbraw/zinc/07/66/50/996076650.db2.gz RLINUWJIBSWUFW-JTQLQIEISA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)OCc1cccnc1C#N)C(=O)[O-] ZINC001593673061 996081191 /nfs/dbraw/zinc/08/11/91/996081191.db2.gz FWDIIHBJEWDLJL-LLVKDONJSA-N -1 0 342.376 2.875 20 30 EFEDRM C[C@@H](Sc1nc(C(=O)[O-])cs1)C(=O)Nc1cccc(C#N)c1 ZINC001593678787 996095258 /nfs/dbraw/zinc/09/52/58/996095258.db2.gz ABYKGKOQGSQBSZ-MRVPVSSYSA-N -1 0 333.394 2.832 20 30 EFEDRM C[C@@H](c1ccc(C#N)cc1)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593685659 996117529 /nfs/dbraw/zinc/11/75/29/996117529.db2.gz DEUSYKRLFISOKK-ZDUSSCGKSA-N -1 0 332.400 2.738 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001593689881 996134582 /nfs/dbraw/zinc/13/45/82/996134582.db2.gz MKSGNMMQSVWWQY-GFCCVEGCSA-N -1 0 343.358 2.872 20 30 EFEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H]1C[C@@H]1C#N ZINC001593720597 996251791 /nfs/dbraw/zinc/25/17/91/996251791.db2.gz WLUUWJXSLMSLBH-MRVWCRGKSA-N -1 0 339.351 2.622 20 30 EFEDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCCN(c2ccccc2C#N)CC1 ZINC001593728101 996287630 /nfs/dbraw/zinc/28/76/30/996287630.db2.gz AZVJWBLYMRUXBO-ZDUSSCGKSA-N -1 0 340.383 2.518 20 30 EFEDRM C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(CC#N)CCC(=O)[O-] ZINC001593737520 996336354 /nfs/dbraw/zinc/33/63/54/996336354.db2.gz IASGXNDJEMMTEK-JTQLQIEISA-N -1 0 334.763 2.751 20 30 EFEDRM C[C@@]1(C#N)CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001593742578 996361412 /nfs/dbraw/zinc/36/14/12/996361412.db2.gz AZIPZYVCKMEOQL-ZDUSSCGKSA-N -1 0 327.178 2.866 20 30 EFEDRM COc1cc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1OC ZINC001599389793 997012657 /nfs/dbraw/zinc/01/26/57/997012657.db2.gz LAXUAWKGKVFJJO-AATRIKPKSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1cc(C)cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1O ZINC001599392124 997057298 /nfs/dbraw/zinc/05/72/98/997057298.db2.gz NJYUDPHVBFKDAB-UHFFFAOYSA-N -1 0 341.319 2.636 20 30 EFEDRM CC1(C)OCC[C@H]1NN=Cc1ccc(C(=O)[O-])cc1Br ZINC001593981292 997201701 /nfs/dbraw/zinc/20/17/01/997201701.db2.gz KLANKXWELBAZGE-GFCCVEGCSA-N -1 0 341.205 2.638 20 30 EFEDRM COC(=O)c1c(N)sc(C(=O)[O-])c1CSc1ccc(C#N)cc1 ZINC001598914497 997434334 /nfs/dbraw/zinc/43/43/34/997434334.db2.gz UCJPDSCERQHWJJ-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])C1 ZINC001599107210 997501568 /nfs/dbraw/zinc/50/15/68/997501568.db2.gz LFKJWDRJLYIELM-UNEWFSDZSA-N -1 0 344.411 2.563 20 30 EFEDRM CC1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCCCC1 ZINC001594026995 997567149 /nfs/dbraw/zinc/56/71/49/997567149.db2.gz AHJOQXJJTLOUAQ-UHFFFAOYSA-N -1 0 336.413 2.505 20 30 EFEDRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599113146 997605864 /nfs/dbraw/zinc/60/58/64/997605864.db2.gz RFKYFUGSHZUVJF-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM COCC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)o1 ZINC001599217963 997615997 /nfs/dbraw/zinc/61/59/97/997615997.db2.gz OIMRDHNQUDWNCJ-DOTOQJQBSA-N -1 0 328.368 2.953 20 30 EFEDRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599114152 997623330 /nfs/dbraw/zinc/62/33/30/997623330.db2.gz XILQUPZECUNRJF-UNEWFSDZSA-N -1 0 331.368 2.822 20 30 EFEDRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599114148 997623447 /nfs/dbraw/zinc/62/34/47/997623447.db2.gz XILQUPZECUNRJF-FRFSOERESA-N -1 0 331.368 2.822 20 30 EFEDRM COc1ccc([C@@H](NCc2ccc(Cl)cc2C#N)C(=O)[O-])cc1O ZINC001599533256 997697004 /nfs/dbraw/zinc/69/70/04/997697004.db2.gz XXPPURBYWIGKNB-MRXNPFEDSA-N -1 0 346.770 2.841 20 30 EFEDRM COC(=O)c1cc(CN(CCC#N)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598929891 997727766 /nfs/dbraw/zinc/72/77/66/997727766.db2.gz VITRBSZKQYYGLN-UHFFFAOYSA-N -1 0 332.400 2.933 20 30 EFEDRM COc1c(NC(=O)N2Cc3cccc(C#N)c3C2)cccc1C(=O)[O-] ZINC001599340006 997905508 /nfs/dbraw/zinc/90/55/08/997905508.db2.gz FKRCZLSFWORFBC-UHFFFAOYSA-N -1 0 337.335 2.813 20 30 EFEDRM COc1cc(NC(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])cc1OC ZINC001599441376 997934933 /nfs/dbraw/zinc/93/49/33/997934933.db2.gz JXIVKHPOJFXQQW-UHFFFAOYSA-N -1 0 340.335 2.834 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599235810 997943762 /nfs/dbraw/zinc/94/37/62/997943762.db2.gz RZJDIENYIRMJFK-UHFFFAOYSA-N -1 0 341.367 2.932 20 30 EFEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001599444046 997977856 /nfs/dbraw/zinc/97/78/56/997977856.db2.gz DQZIZUMJDJCCAZ-DAXSKMNVSA-N -1 0 329.308 2.841 20 30 EFEDRM COc1ccc(C[C@H](C)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599551447 998013964 /nfs/dbraw/zinc/01/39/64/998013964.db2.gz SGQVSPHKPFEKKU-LBPRGKRZSA-N -1 0 325.368 2.951 20 30 EFEDRM COCCN(Cc1cccs1)Cc1cccc(C(=O)[O-])c1C#N ZINC001599239889 998019682 /nfs/dbraw/zinc/01/96/82/998019682.db2.gz MTBQQRPHLZASSA-UHFFFAOYSA-N -1 0 330.409 2.967 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599348465 998051215 /nfs/dbraw/zinc/05/12/15/998051215.db2.gz YAMWNDJFDRZISZ-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599348858 998059235 /nfs/dbraw/zinc/05/92/35/998059235.db2.gz CTJVOIDMXPMUBW-UHFFFAOYSA-N -1 0 330.384 2.722 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001599349305 998065575 /nfs/dbraw/zinc/06/55/75/998065575.db2.gz NRYCATUKLCFDHP-UHFFFAOYSA-N -1 0 336.347 2.858 20 30 EFEDRM COc1ccc(CCCNc2ccc(C(=O)[O-])nc2C#N)cc1OC ZINC001599555590 998085878 /nfs/dbraw/zinc/08/58/78/998085878.db2.gz TYBZYAONXRDADY-UHFFFAOYSA-N -1 0 341.367 2.713 20 30 EFEDRM COCC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC001599141488 998138096 /nfs/dbraw/zinc/13/80/96/998138096.db2.gz OTSXTJPFDWYSHQ-UHFFFAOYSA-N -1 0 326.780 2.879 20 30 EFEDRM COC(=O)c1cc(Oc2cc(C#N)nc(C3CC3)n2)cc(C(=O)[O-])c1 ZINC001598951612 998163981 /nfs/dbraw/zinc/16/39/81/998163981.db2.gz JGOAAQNDIKADJN-UHFFFAOYSA-N -1 0 339.307 2.503 20 30 EFEDRM COc1cc(OCC(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1C#N ZINC001599456098 998189895 /nfs/dbraw/zinc/18/98/95/998189895.db2.gz QFRCIMWEGFYCIL-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM COc1cc(OCc2ccc(C#N)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599456936 998203553 /nfs/dbraw/zinc/20/35/53/998203553.db2.gz PBVFLUVEXWXYKF-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COCCOCc1cc(C#N)ccc1N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC001599251345 998236412 /nfs/dbraw/zinc/23/64/12/998236412.db2.gz FDTFPAHWNMFFCZ-JSSFPYSZSA-N -1 0 344.411 2.632 20 30 EFEDRM COCCOCc1cc(C#N)ccc1N1CCC(CCC(=O)[O-])CC1 ZINC001599251680 998242700 /nfs/dbraw/zinc/24/27/00/998242700.db2.gz NQMFWUJYFUCTQG-UHFFFAOYSA-N -1 0 346.427 2.802 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C)c(C#N)c(C)c2)c1O ZINC001599360104 998246605 /nfs/dbraw/zinc/24/66/05/998246605.db2.gz BBTGSGQWZJOAAC-UHFFFAOYSA-N -1 0 340.335 2.840 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C#N)c2C)c1O ZINC001599361429 998267940 /nfs/dbraw/zinc/26/79/40/998267940.db2.gz JBHJSIOIVUZFLY-UHFFFAOYSA-N -1 0 326.308 2.531 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001599570203 998351383 /nfs/dbraw/zinc/35/13/83/998351383.db2.gz VICCXQLFOMVMIF-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1cc(C(=O)[O-])n(C)c1 ZINC001599261004 998386137 /nfs/dbraw/zinc/38/61/37/998386137.db2.gz RKQQJDVGCAZOMO-SREVYHEPSA-N -1 0 347.342 2.784 20 30 EFEDRM COc1ccc(CNN=Cc2ccccc2O[C@@H](C)C(=O)[O-])cc1 ZINC001599572567 998388269 /nfs/dbraw/zinc/38/82/69/998388269.db2.gz DSHXXZFZJYOSNR-ZDUSSCGKSA-N -1 0 328.368 2.671 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ncc(C#N)cc1Cl ZINC001599378614 998530382 /nfs/dbraw/zinc/53/03/82/998530382.db2.gz PGRRYNUDADHHPE-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599477170 998551791 /nfs/dbraw/zinc/55/17/91/998551791.db2.gz YSXMTUFYZPRGMA-UHFFFAOYSA-N -1 0 349.346 2.928 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001594155632 998562463 /nfs/dbraw/zinc/56/24/63/998562463.db2.gz DEAZMJCEQMZBFF-APPZFPTMSA-N -1 0 327.167 2.800 20 30 EFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001594155634 998562537 /nfs/dbraw/zinc/56/25/37/998562537.db2.gz DEAZMJCEQMZBFF-IONNQARKSA-N -1 0 327.167 2.800 20 30 EFEDRM COc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1-c1ccccc1 ZINC001599479219 998580658 /nfs/dbraw/zinc/58/06/58/998580658.db2.gz KDLSXIICNPVVCW-UHFFFAOYSA-N -1 0 338.363 2.803 20 30 EFEDRM COC(=O)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC001598978342 998627791 /nfs/dbraw/zinc/62/77/91/998627791.db2.gz NNYBMYDXQCTUFO-GOSISDBHSA-N -1 0 342.351 2.584 20 30 EFEDRM COC(=O)c1cccc([C@@H](Sc2cc(C#N)ccn2)C(=O)[O-])c1 ZINC001598993351 998756486 /nfs/dbraw/zinc/75/64/86/998756486.db2.gz VSYSMARUCYKBJH-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM CO[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CCCCC1 ZINC001599030315 999045771 /nfs/dbraw/zinc/04/57/71/999045771.db2.gz SVUUVATWTGGKJT-HOTGVXAUSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@H]1CC[C@](NC(=O)c2cccc(C#N)n2)(C(=O)[O-])c2ccccc21 ZINC001594321020 999232840 /nfs/dbraw/zinc/23/28/40/999232840.db2.gz BCAMQUBWTBOTOM-HXPMCKFVSA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@H]1CCCc2ncc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)n21 ZINC001594387256 999465124 /nfs/dbraw/zinc/46/51/24/999465124.db2.gz BMZCSQFBTMJJBN-ZBEGNZNMSA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574040902 1087924881 /nfs/dbraw/zinc/92/48/81/1087924881.db2.gz WUSFQAQSEBRDIJ-STECZYCISA-N -1 0 326.396 2.591 20 30 EFEDRM CCC1(CC)CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1 ZINC001646672916 1088055649 /nfs/dbraw/zinc/05/56/49/1088055649.db2.gz QONBCKUIYXGIKV-UHFFFAOYSA-N -1 0 340.431 2.861 20 30 EFEDRM N#CCSc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCC[C@@H]32)c1 ZINC001574790750 1088098236 /nfs/dbraw/zinc/09/82/36/1088098236.db2.gz WUELHYNZKOSFLE-CQDKDKBSSA-N -1 0 330.409 2.770 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001574797139 1088103186 /nfs/dbraw/zinc/10/31/86/1088103186.db2.gz HIVSXBGOIQUFOR-QZTJIDSGSA-N -1 0 349.390 2.713 20 30 EFEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001647075467 1088837484 /nfs/dbraw/zinc/83/74/84/1088837484.db2.gz QFTNIRBELBNPIJ-UHFFFAOYSA-N -1 0 334.422 2.862 20 30 EFEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC001647076724 1088843592 /nfs/dbraw/zinc/84/35/92/1088843592.db2.gz MYONUOKUFUPOQP-UHFFFAOYSA-N -1 0 332.429 2.813 20 30 EFEDRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC001647165092 1089025304 /nfs/dbraw/zinc/02/53/04/1089025304.db2.gz SULJGJQMPRVHFE-UHFFFAOYSA-N -1 0 330.413 2.582 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001647701746 1089797481 /nfs/dbraw/zinc/79/74/81/1089797481.db2.gz PVOJOYIMSIQYDW-SWLSCSKDSA-N -1 0 338.415 2.706 20 30 EFEDRM COc1cc(-c2nn[nH]n2)ccc1OCc1cc(Cl)cc(C#N)c1 ZINC001579887133 1090715328 /nfs/dbraw/zinc/71/53/28/1090715328.db2.gz IOEIHKVPAXHYRE-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001585810723 1092582023 /nfs/dbraw/zinc/58/20/23/1092582023.db2.gz QTIAXYCRPXWKTH-UHFFFAOYSA-N -1 0 348.366 2.751 20 30 EFEDRM N#Cc1cc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)cs1 ZINC001649827326 1092713887 /nfs/dbraw/zinc/71/38/87/1092713887.db2.gz HPWDHQKAGDOXGY-UHFFFAOYSA-N -1 0 326.443 2.650 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ncccc2OC(C)C)c1C#N ZINC001650014757 1092882029 /nfs/dbraw/zinc/88/20/29/1092882029.db2.gz HOKYWBLUOYBTQV-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001588455927 1092946453 /nfs/dbraw/zinc/94/64/53/1092946453.db2.gz DTURFCCIVDWODB-IYBDPMFKSA-N -1 0 335.411 2.608 20 30 EFEDRM C=C(CNC(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001588443994 1092946595 /nfs/dbraw/zinc/94/65/95/1092946595.db2.gz DQEXLEBYMJVHFT-UHFFFAOYSA-N -1 0 347.422 2.974 20 30 EFEDRM C=C(CNC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC001588443960 1092946624 /nfs/dbraw/zinc/94/66/24/1092946624.db2.gz BWWNVHKNMHPPCR-UHFFFAOYSA-N -1 0 345.406 2.728 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1sc(C)c(CC)c1-c1nn[nH]n1 ZINC001588441356 1092947140 /nfs/dbraw/zinc/94/71/40/1092947140.db2.gz DJRZFVBMCQUWOV-DGCLKSJQSA-N -1 0 347.444 2.719 20 30 EFEDRM C=C(CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588444040 1092947648 /nfs/dbraw/zinc/94/76/48/1092947648.db2.gz HIWBOLWXTNRZTB-AWEZNQCLSA-N -1 0 348.410 2.940 20 30 EFEDRM C=C(CNC(=O)c1ccc2c(c1)[nH]cc2-c1nn[nH]n1)c1ccccc1 ZINC001588443935 1092948237 /nfs/dbraw/zinc/94/82/37/1092948237.db2.gz BHKHHEZEIYBVMH-UHFFFAOYSA-N -1 0 344.378 2.791 20 30 EFEDRM C=CC(C)(C)CC(=O)N(CCC)c1snc(C)c1-c1nn[nH]n1 ZINC001588480529 1092950322 /nfs/dbraw/zinc/95/03/22/1092950322.db2.gz AOPWKPRKHAAOGC-UHFFFAOYSA-N -1 0 334.449 2.977 20 30 EFEDRM C=C[C@H](C(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC001588468822 1092950616 /nfs/dbraw/zinc/95/06/16/1092950616.db2.gz XSJPNYFEZPCXLV-HNNXBMFYSA-N -1 0 337.358 2.592 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001588541291 1092954237 /nfs/dbraw/zinc/95/42/37/1092954237.db2.gz LPNIXTUSQHNYEN-CQSZACIVSA-N -1 0 331.395 2.754 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC001588540848 1092956182 /nfs/dbraw/zinc/95/61/82/1092956182.db2.gz GOLHTSJWZYISFW-GFCCVEGCSA-N -1 0 340.387 2.643 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001588549414 1092956946 /nfs/dbraw/zinc/95/69/46/1092956946.db2.gz ZMOOGLDGRXIGPG-CYBMUJFWSA-N -1 0 346.408 2.968 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588552811 1092957714 /nfs/dbraw/zinc/95/77/14/1092957714.db2.gz ATCVHLBNJYPHJU-WSROAFLRSA-N -1 0 329.805 2.650 20 30 EFEDRM C=CCCCN(CC)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC001588601030 1092966941 /nfs/dbraw/zinc/96/69/41/1092966941.db2.gz BFIVRCCSLVEJJX-UHFFFAOYSA-N -1 0 330.392 2.695 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001588654807 1092975261 /nfs/dbraw/zinc/97/52/61/1092975261.db2.gz NYPAZJUKLGKIHC-QGZVFWFLSA-N -1 0 332.367 2.619 20 30 EFEDRM CC#CCCCCOC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC001588746057 1092983528 /nfs/dbraw/zinc/98/35/28/1092983528.db2.gz LQVYXKXUSZFJJY-UHFFFAOYSA-N -1 0 344.440 2.837 20 30 EFEDRM Cc1ncsc1C(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001588782412 1092992407 /nfs/dbraw/zinc/99/24/07/1092992407.db2.gz UKVCTJWIBIMMOF-UHFFFAOYSA-N -1 0 346.420 2.654 20 30 EFEDRM CC(C)(CCC#N)CNc1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589272327 1093061514 /nfs/dbraw/zinc/06/15/14/1093061514.db2.gz JMAAKQWTWGQHLY-UHFFFAOYSA-N -1 0 333.327 2.656 20 30 EFEDRM Cn1c(CCc2cccc(Cl)c2O)nnc1N1CCC(C#N)CC1 ZINC001650261724 1093086081 /nfs/dbraw/zinc/08/60/81/1093086081.db2.gz QBZZMVGHDDRJRG-UHFFFAOYSA-N -1 0 345.834 2.699 20 30 EFEDRM CC(C)[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CCO1 ZINC001589499064 1093094909 /nfs/dbraw/zinc/09/49/09/1093094909.db2.gz HLXKLZVDVJCADY-IUODEOHRSA-N -1 0 326.404 2.601 20 30 EFEDRM CC[C@@H]1CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC)C1 ZINC001650294432 1093118942 /nfs/dbraw/zinc/11/89/42/1093118942.db2.gz ATQVEOMMZFPLJP-GFCCVEGCSA-N -1 0 326.404 2.564 20 30 EFEDRM CCC[C@@H]1CCCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001650297991 1093122681 /nfs/dbraw/zinc/12/26/81/1093122681.db2.gz KOFFICYHBDOEFR-CQSZACIVSA-N -1 0 326.404 2.706 20 30 EFEDRM CC[C@H](C)CN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001650299943 1093125867 /nfs/dbraw/zinc/12/58/67/1093125867.db2.gz TZWSQAVOGINAHB-LBPRGKRZSA-N -1 0 328.420 2.810 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001650320568 1093150831 /nfs/dbraw/zinc/15/08/31/1093150831.db2.gz GYMYDYSSRUXWKE-VMGRFDJRSA-N -1 0 341.411 2.688 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001650320985 1093151008 /nfs/dbraw/zinc/15/10/08/1093151008.db2.gz LBHZCNPFBAUDLC-DOTOQJQBSA-N -1 0 341.411 2.974 20 30 EFEDRM C[C@@H](c1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1)C(F)(F)F ZINC001590039989 1093235452 /nfs/dbraw/zinc/23/54/52/1093235452.db2.gz KGWGHBCOLKXDIG-VIFPVBQESA-N -1 0 347.304 2.649 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000176405181 1093248052 /nfs/dbraw/zinc/24/80/52/1093248052.db2.gz KBENTQPZKINUHJ-UHFFFAOYSA-N -1 0 335.363 2.794 20 30 EFEDRM CCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccc(N)cc1 ZINC001590359333 1093390193 /nfs/dbraw/zinc/39/01/93/1093390193.db2.gz YWUSFJGZOAPALT-UHFFFAOYSA-N -1 0 340.391 2.787 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cn1 ZINC000588578701 1093433319 /nfs/dbraw/zinc/43/33/19/1093433319.db2.gz HXOLSZDELNAMIA-CLTKARDFSA-N -1 0 330.359 2.905 20 30 EFEDRM CCC[C@H]1CCCC[C@H]1CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590569292 1093494078 /nfs/dbraw/zinc/49/40/78/1093494078.db2.gz KLOYVBSNFOFYOE-RYUDHWBXSA-N -1 0 326.408 2.547 20 30 EFEDRM CCCn1cccc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001590664556 1093538829 /nfs/dbraw/zinc/53/88/29/1093538829.db2.gz YYVWXZUJZCQGPG-UHFFFAOYSA-N -1 0 342.407 2.711 20 30 EFEDRM CC(C)C[C@H](NC(=O)CSc1cccc(C#N)c1Cl)C(=O)[O-] ZINC001591174065 1093677758 /nfs/dbraw/zinc/67/77/58/1093677758.db2.gz VJCSKUKVPGEGGR-NSHDSACASA-N -1 0 340.832 2.919 20 30 EFEDRM CO[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1CCCC1 ZINC001591326106 1093692118 /nfs/dbraw/zinc/69/21/18/1093692118.db2.gz ICPBLQIYTOFYSN-LLVKDONJSA-N -1 0 347.423 2.755 20 30 EFEDRM COC1(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCC1 ZINC001591337655 1093696918 /nfs/dbraw/zinc/69/69/18/1093696918.db2.gz VNOPVLAMQQPHKJ-UHFFFAOYSA-N -1 0 333.396 2.509 20 30 EFEDRM CO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C12CCC2 ZINC001591345181 1093699675 /nfs/dbraw/zinc/69/96/75/1093699675.db2.gz HJILFYXTWXTHLL-SNVBAGLBSA-N -1 0 345.407 2.509 20 30 EFEDRM Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N(C)CC(C)(C)C#N ZINC001591991247 1093949409 /nfs/dbraw/zinc/94/94/09/1093949409.db2.gz PCFOECQHZZWWQF-UHFFFAOYSA-N -1 0 339.378 2.848 20 30 EFEDRM Cc1ccc(Br)c(N2CCC[C@H](C#N)C2)c1-c1nn[nH]n1 ZINC001592112489 1093984281 /nfs/dbraw/zinc/98/42/81/1093984281.db2.gz QKVNBPAAWNEXBR-SNVBAGLBSA-N -1 0 347.220 2.678 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)OCc1cc(-c2nn[nH]n2)ccc1F ZINC001592113192 1093985137 /nfs/dbraw/zinc/98/51/37/1093985137.db2.gz IDMQENHBBHHTQH-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[nH]n1 ZINC001592113645 1093985281 /nfs/dbraw/zinc/98/52/81/1093985281.db2.gz VOGYUADOLUTYCD-UHFFFAOYSA-N -1 0 343.350 2.780 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCC2C3CC4CC(C3)CC2C4)o1 ZINC001592338610 1094081819 /nfs/dbraw/zinc/08/18/19/1094081819.db2.gz JXFQYDTYBDWLIU-UHFFFAOYSA-N -1 0 327.392 2.633 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCCc2ccc(F)cc2Cl)o1 ZINC001592338770 1094082305 /nfs/dbraw/zinc/08/23/05/1094082305.db2.gz MONPDHJBCGGJNS-UHFFFAOYSA-N -1 0 335.730 2.596 20 30 EFEDRM Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC001592494929 1094113096 /nfs/dbraw/zinc/11/30/96/1094113096.db2.gz GHARYULGROJRPN-JTQLQIEISA-N -1 0 342.384 2.838 20 30 EFEDRM N#Cc1cc(Cl)ccc1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001592688225 1094177878 /nfs/dbraw/zinc/17/78/78/1094177878.db2.gz IZCDHFZBXAGPIC-UHFFFAOYSA-N -1 0 330.710 2.505 20 30 EFEDRM N#Cc1cnc(Oc2ccc(F)nc2-c2nnn[n-]2)c2sccc21 ZINC001592704312 1094182797 /nfs/dbraw/zinc/18/27/97/1094182797.db2.gz HIHFYRPFIVHETM-UHFFFAOYSA-N -1 0 339.315 2.674 20 30 EFEDRM O=C1c2ccc([O-])cc2O/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000588594623 1094302868 /nfs/dbraw/zinc/30/28/68/1094302868.db2.gz GLVDMGIQELIDAL-LHHJGKSTSA-N -1 0 328.236 2.825 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000799922284 1094633941 /nfs/dbraw/zinc/63/39/41/1094633941.db2.gz GDCGYZSWVRPIQE-UHFFFAOYSA-N -1 0 345.424 2.824 20 30 EFEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001598712045 1094684519 /nfs/dbraw/zinc/68/45/19/1094684519.db2.gz MVOHLEUKXZTNHE-QGZVFWFLSA-N -1 0 338.363 2.603 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(C#N)ccn3)ccc2n1C ZINC001599985249 1094701466 /nfs/dbraw/zinc/70/14/66/1094701466.db2.gz AKRRMAYRNJVYGK-UHFFFAOYSA-N -1 0 335.319 2.671 20 30 EFEDRM Cc1c(NC(=O)NC[C@@H](C)C#N)ccc(Br)c1C(=O)[O-] ZINC001600039582 1094734275 /nfs/dbraw/zinc/73/42/75/1094734275.db2.gz JQXLFIOBKZKAKC-ZETCQYMHSA-N -1 0 340.177 2.737 20 30 EFEDRM Cc1c(Cl)cnc(N2CCc3ccc(C(=O)[O-])nc3C2)c1C#N ZINC001600017985 1094723348 /nfs/dbraw/zinc/72/33/48/1094723348.db2.gz QIOLDASBBLSUCL-UHFFFAOYSA-N -1 0 328.759 2.571 20 30 EFEDRM Cc1c(Cl)cnc(NC[C@@H](Oc2ccccc2)C(=O)[O-])c1C#N ZINC001600018372 1094724089 /nfs/dbraw/zinc/72/40/89/1094724089.db2.gz ZJNHBBVKNZSMHS-CQSZACIVSA-N -1 0 331.759 2.859 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OS(=O)(=O)c1cccc(CC#N)c1 ZINC001600019683 1094724803 /nfs/dbraw/zinc/72/48/03/1094724803.db2.gz GJQIFBBKESGNTK-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OS(=O)(=O)c1ccc(CC#N)cc1 ZINC001600019751 1094725593 /nfs/dbraw/zinc/72/55/93/1094725593.db2.gz KNGWSXJDKGVKTC-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1c(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035904 1094731668 /nfs/dbraw/zinc/73/16/68/1094731668.db2.gz ZTQIPWBSMFLNIB-GWCFXTLKSA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)N2CCC[C@@](C)(C#N)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037349 1094733461 /nfs/dbraw/zinc/73/34/61/1094733461.db2.gz BVZQVXMDQLOXEQ-INIZCTEOSA-N -1 0 346.343 2.759 20 30 EFEDRM Cc1c(NC(=O)Nc2ccc(C3CC3)c(C#N)c2)cnn1CC(=O)[O-] ZINC001600044212 1094737201 /nfs/dbraw/zinc/73/72/01/1094737201.db2.gz KUARKZUBNDKMIX-UHFFFAOYSA-N -1 0 339.355 2.669 20 30 EFEDRM Cc1c(Nc2c(Br)cccc2C#N)cnn1CC(=O)[O-] ZINC001600057253 1094744752 /nfs/dbraw/zinc/74/47/52/1094744752.db2.gz UWBLMABLBIYSPN-UHFFFAOYSA-N -1 0 335.161 2.654 20 30 EFEDRM Cc1cc(Br)ccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600073068 1094752325 /nfs/dbraw/zinc/75/23/25/1094752325.db2.gz ZKGPMFCNZXCPRE-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001600075180 1094753362 /nfs/dbraw/zinc/75/33/62/1094753362.db2.gz LCTMNMRSDOMEFU-OAHLLOKOSA-N -1 0 342.326 2.812 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600073941 1094753527 /nfs/dbraw/zinc/75/35/27/1094753527.db2.gz DHIDLMOKLIONCH-GFCCVEGCSA-N -1 0 341.392 2.651 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600074601 1094753738 /nfs/dbraw/zinc/75/37/38/1094753738.db2.gz LJADOKFQDXIZLS-WTTBNOFXSA-N -1 0 327.380 2.760 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600075153 1094753767 /nfs/dbraw/zinc/75/37/67/1094753767.db2.gz KEYKQXMIKSELPU-UHFFFAOYSA-N -1 0 340.291 2.830 20 30 EFEDRM Cc1cc(C#N)cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001600074185 1094753840 /nfs/dbraw/zinc/75/38/40/1094753840.db2.gz RCRFMJZMSLCJSF-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001600074390 1094754246 /nfs/dbraw/zinc/75/42/46/1094754246.db2.gz BQZPBLXXDCWJDF-UHFFFAOYSA-N -1 0 328.393 2.794 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001600075414 1094754734 /nfs/dbraw/zinc/75/47/34/1094754734.db2.gz XAXAZLLGIUHFNE-HNNXBMFYSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001600075280 1094754918 /nfs/dbraw/zinc/75/49/18/1094754918.db2.gz QRCHXPUXYOKCLA-UHFFFAOYSA-N -1 0 335.363 2.767 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001600076178 1094755457 /nfs/dbraw/zinc/75/54/57/1094755457.db2.gz MXBFGGZEYZRJTP-HZPDHXFCSA-N -1 0 341.411 2.757 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001600075415 1094756022 /nfs/dbraw/zinc/75/60/22/1094756022.db2.gz XAXAZLLGIUHFNE-OAHLLOKOSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC001600087596 1094763604 /nfs/dbraw/zinc/76/36/04/1094763604.db2.gz LYNXVWAWDZJQNL-SFHVURJKSA-N -1 0 332.400 2.825 20 30 EFEDRM Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC001600087595 1094764033 /nfs/dbraw/zinc/76/40/33/1094764033.db2.gz LYNXVWAWDZJQNL-GOSISDBHSA-N -1 0 332.400 2.825 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)ncc1C#N ZINC001600102139 1094772448 /nfs/dbraw/zinc/77/24/48/1094772448.db2.gz RSHGBNHPKJJHCI-UHFFFAOYSA-N -1 0 330.369 2.792 20 30 EFEDRM Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001600142850 1094799347 /nfs/dbraw/zinc/79/93/47/1094799347.db2.gz FMXIWFJCJBOWMO-SSDOTTSWSA-N -1 0 345.302 2.602 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])ccc1F ZINC001600151115 1094813954 /nfs/dbraw/zinc/81/39/54/1094813954.db2.gz STWVWHYNHAIQMU-HNNXBMFYSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1CCC#N ZINC001600158309 1094821675 /nfs/dbraw/zinc/82/16/75/1094821675.db2.gz HPOTZZDVMADXGX-UHFFFAOYSA-N -1 0 326.356 2.673 20 30 EFEDRM Cc1cc(C)c2ncc(C#N)c(N3CCSC[C@H](C(=O)[O-])C3)c2c1 ZINC001600165542 1094831304 /nfs/dbraw/zinc/83/13/04/1094831304.db2.gz DAISEFGGBZOTLR-CQSZACIVSA-N -1 0 341.436 2.977 20 30 EFEDRM Cc1cc(C=NNCc2ccc(Br)cc2)[nH]c1C(=O)[O-] ZINC001600185830 1094850680 /nfs/dbraw/zinc/85/06/80/1094850680.db2.gz WKBNOWIPMXJAEP-UHFFFAOYSA-N -1 0 336.189 2.908 20 30 EFEDRM Cc1cc(C=NN2C(=S)N=NC2C(C)C)cc(C)c1OCC(=O)[O-] ZINC001600184965 1094850696 /nfs/dbraw/zinc/85/06/96/1094850696.db2.gz DDXIAJNBHFUCIU-UHFFFAOYSA-N -1 0 348.428 2.653 20 30 EFEDRM Cc1cc(/C=C/C(=O)c2cc3n(n2)CCC3)cc(C)c1OCC(=O)[O-] ZINC001600186609 1094852560 /nfs/dbraw/zinc/85/25/60/1094852560.db2.gz QGOOSLWEJPLAEM-AATRIKPKSA-N -1 0 340.379 2.806 20 30 EFEDRM Cc1cc(CNC(=O)[C@@H](C#N)CCc2ccccc2)oc1C(=O)[O-] ZINC001600197435 1094868706 /nfs/dbraw/zinc/86/87/06/1094868706.db2.gz NTGIYSHRFBLVKT-CQSZACIVSA-N -1 0 326.352 2.675 20 30 EFEDRM Cc1cc(CNC(=O)C[C@@H](CC#N)c2ccccc2)oc1C(=O)[O-] ZINC001600198519 1094870402 /nfs/dbraw/zinc/87/04/02/1094870402.db2.gz OZWZHTXSOSWUHY-CQSZACIVSA-N -1 0 326.352 2.990 20 30 EFEDRM Cc1cc(CNC(=O)Nc2ccc(F)cc2OCC#N)oc1C(=O)[O-] ZINC001600200612 1094872549 /nfs/dbraw/zinc/87/25/49/1094872549.db2.gz UZPDDEQBKRVDEK-UHFFFAOYSA-N -1 0 347.302 2.649 20 30 EFEDRM Cc1cc(COC(=O)C2(c3cccc(C#N)c3)CC2)oc1C(=O)[O-] ZINC001600212905 1094889339 /nfs/dbraw/zinc/88/93/39/1094889339.db2.gz BBUWTGLJABGQKU-UHFFFAOYSA-N -1 0 325.320 2.933 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ncc1C#N ZINC001600241157 1094911505 /nfs/dbraw/zinc/91/15/05/1094911505.db2.gz VNFBDTOBUUIWNT-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc(C#N)n1 ZINC001600241140 1094911576 /nfs/dbraw/zinc/91/15/76/1094911576.db2.gz UBRRRYQCHJXVFC-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C#N)cc1N(C)C ZINC001600264758 1094927083 /nfs/dbraw/zinc/92/70/83/1094927083.db2.gz NTDJDUDAKLOEER-GXTWGEPZSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)oc1C(=O)[O-] ZINC001600274968 1094935291 /nfs/dbraw/zinc/93/52/91/1094935291.db2.gz YZVOIJXSLAQDOO-UHFFFAOYSA-N -1 0 327.340 2.785 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(C#N)c(Cl)n2)nc(C)c1C(=O)[O-] ZINC001600274122 1094935786 /nfs/dbraw/zinc/93/57/86/1094935786.db2.gz LUBFNBHWHMJHQR-UHFFFAOYSA-N -1 0 330.731 2.569 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC001600278290 1094938094 /nfs/dbraw/zinc/93/80/94/1094938094.db2.gz UQQOUQVXPLCARN-UHFFFAOYSA-N -1 0 327.340 2.785 20 30 EFEDRM Cc1cc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])nn1CCC#N ZINC001600279616 1094940697 /nfs/dbraw/zinc/94/06/97/1094940697.db2.gz MVEOXPGEROFVMW-AWEZNQCLSA-N -1 0 332.791 2.866 20 30 EFEDRM Cc1cc(N[C@@H](CCC#N)c2ccccc2)n2nc(C(=O)[O-])nc2n1 ZINC001600279103 1094940935 /nfs/dbraw/zinc/94/09/35/1094940935.db2.gz GLPLJOMFFRXINX-ZDUSSCGKSA-N -1 0 336.355 2.588 20 30 EFEDRM Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)c(C#N)cc1[N+](=O)[O-] ZINC001600280789 1094942513 /nfs/dbraw/zinc/94/25/13/1094942513.db2.gz ACSQJTVJPHPWEL-UHFFFAOYSA-N -1 0 341.323 2.964 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2C)ccc1C#N ZINC001600300912 1094953273 /nfs/dbraw/zinc/95/32/73/1094953273.db2.gz OTCIKJWPHOPOPV-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1ccc(-c2csc(C(=O)[O-])c2NC(=O)NCC#CCO)cc1 ZINC001600316104 1094967612 /nfs/dbraw/zinc/96/76/12/1094967612.db2.gz YWGHOBACMGUKKP-UHFFFAOYSA-N -1 0 344.392 2.539 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001600328748 1094975703 /nfs/dbraw/zinc/97/57/03/1094975703.db2.gz FLVHPWPVSSHBAO-ZCLAENRFSA-N -1 0 327.380 2.590 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001600328679 1094975884 /nfs/dbraw/zinc/97/58/84/1094975884.db2.gz PPJRQMLMOPUULX-UHFFFAOYSA-N -1 0 326.264 2.692 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001600329387 1094977023 /nfs/dbraw/zinc/97/70/23/1094977023.db2.gz QKLSRNXKWNNDIW-FMQWLBJXSA-N -1 0 337.375 2.719 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001600329602 1094977401 /nfs/dbraw/zinc/97/74/01/1094977401.db2.gz VGVNLBPKOHAXSZ-BQYQJAHWSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1C#N ZINC001600336698 1094982995 /nfs/dbraw/zinc/98/29/95/1094982995.db2.gz CLQVBGYJNVXPIX-KDOFPFPSSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CNc2ccc(C#N)cc2)cc1 ZINC001600374885 1095015471 /nfs/dbraw/zinc/01/54/71/1095015471.db2.gz URAXSEWFAJEFKI-QGZVFWFLSA-N -1 0 337.379 2.611 20 30 EFEDRM Cc1ccc(C[C@@H](SCC(=O)N[C@](C)(C#N)C2CC2)C(=O)[O-])cc1 ZINC001600403668 1095040201 /nfs/dbraw/zinc/04/02/01/1095040201.db2.gz GMZAZBQEQNNSRN-CRAIPNDOSA-N -1 0 346.452 2.532 20 30 EFEDRM Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1Br ZINC001600412447 1095046043 /nfs/dbraw/zinc/04/60/43/1095046043.db2.gz FZIZIIQTXNDMLC-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC001600458613 1095083848 /nfs/dbraw/zinc/08/38/48/1095083848.db2.gz RJJCXESZWBIADB-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1ccc2c(c1)nc(CN[C@H](C(=O)[O-])c1ccc(C#N)cc1)n2C ZINC001600498750 1095112260 /nfs/dbraw/zinc/11/22/60/1095112260.db2.gz HBKHOKMDNNVFGK-SFHVURJKSA-N -1 0 334.379 2.669 20 30 EFEDRM Cc1ccc2cccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2n1 ZINC001600501288 1095116121 /nfs/dbraw/zinc/11/61/21/1095116121.db2.gz TXWUEYCPHXCTGB-UHFFFAOYSA-N -1 0 338.367 2.766 20 30 EFEDRM Cc1cccc(-c2nsc(N3CCC(C#N)(C(=O)[O-])CC3)n2)c1 ZINC001600508997 1095122153 /nfs/dbraw/zinc/12/21/53/1095122153.db2.gz XCNWXAVHMMLPPZ-UHFFFAOYSA-N -1 0 328.397 2.708 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2cscc2C#N)C(=O)[O-])c1 ZINC001600526884 1095137138 /nfs/dbraw/zinc/13/71/38/1095137138.db2.gz BGBWWTMAPCMVGT-CYBMUJFWSA-N -1 0 328.393 2.602 20 30 EFEDRM Cc1cccc(NC(=S)NN=Cc2cc(C(=O)[O-])n(C)c2)c1C ZINC001600541976 1095148521 /nfs/dbraw/zinc/14/85/21/1095148521.db2.gz PCDWVRJFHWWJLK-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1cccc(Oc2ccc(C(=O)N(CC#N)CCC(=O)[O-])nc2)c1 ZINC001600547836 1095154450 /nfs/dbraw/zinc/15/44/50/1095154450.db2.gz QEBDXYBRTDPATG-UHFFFAOYSA-N -1 0 339.351 2.623 20 30 EFEDRM Cc1ccccc1-n1cc(C=NNc2cccc(F)c2C(=O)[O-])nn1 ZINC001600565056 1095168438 /nfs/dbraw/zinc/16/84/38/1095168438.db2.gz GGWSVESFERESHL-UHFFFAOYSA-N -1 0 339.330 2.859 20 30 EFEDRM Cc1ccccc1Nc1scnc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600584882 1095188714 /nfs/dbraw/zinc/18/87/14/1095188714.db2.gz HTADUMZCILLCDU-UHFFFAOYSA-N -1 0 344.396 2.636 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(C(=O)[O-])c(C)o1 ZINC001600610991 1095209857 /nfs/dbraw/zinc/20/98/57/1095209857.db2.gz TVUXNQWQIIERLD-UHFFFAOYSA-N -1 0 337.339 2.659 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N1CCC[C@H](CC#N)C1 ZINC001600651369 1095237764 /nfs/dbraw/zinc/23/77/64/1095237764.db2.gz XVDVGAJFXQUSHV-NWDGAFQWSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1C#N ZINC001600664001 1095245274 /nfs/dbraw/zinc/24/52/74/1095245274.db2.gz SAXHTYJWKBCRLB-SSDOTTSWSA-N -1 0 336.398 2.966 20 30 EFEDRM Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)ccc1C#N ZINC001600684092 1095256901 /nfs/dbraw/zinc/25/69/01/1095256901.db2.gz RDABPEZUFMEAMT-ODXCJYRJSA-N -1 0 349.390 2.869 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)ccc1C#N ZINC001600684659 1095259144 /nfs/dbraw/zinc/25/91/44/1095259144.db2.gz PVXVOQGPRJLFTP-SNVBAGLBSA-N -1 0 343.314 2.505 20 30 EFEDRM Cc1nc(C(C)C)oc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600689879 1095262438 /nfs/dbraw/zinc/26/24/38/1095262438.db2.gz UOPVEDPZXIRTQP-CQSZACIVSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1nc(Cl)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600705287 1095275301 /nfs/dbraw/zinc/27/53/01/1095275301.db2.gz JPSNVTDHOKVDAG-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1nc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)sc1C(C)(C)C ZINC001600709484 1095278749 /nfs/dbraw/zinc/27/87/49/1095278749.db2.gz OXYNNLMNZHHTES-UHFFFAOYSA-N -1 0 331.397 2.529 20 30 EFEDRM Cc1nc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c(Cl)cc1C#N ZINC001600715439 1095284315 /nfs/dbraw/zinc/28/43/15/1095284315.db2.gz SHWQLZATBCRAPS-LLVKDONJSA-N -1 0 331.763 2.757 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2o1 ZINC001600727210 1095293313 /nfs/dbraw/zinc/29/33/13/1095293313.db2.gz FSANGZZSDZVPOP-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2n1C ZINC001600728015 1095293382 /nfs/dbraw/zinc/29/33/82/1095293382.db2.gz VCBOQEKMRXLKOK-QGZVFWFLSA-N -1 0 349.346 2.736 20 30 EFEDRM Cc1ncc(NC(=O)C(F)(F)c2ccccc2C#N)cc1C(=O)[O-] ZINC001600738637 1095299203 /nfs/dbraw/zinc/29/92/03/1095299203.db2.gz JTGPMYNLIQKXQM-UHFFFAOYSA-N -1 0 331.278 2.690 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001600822722 1095356785 /nfs/dbraw/zinc/35/67/85/1095356785.db2.gz YJAMLUHXZKKWFS-UHFFFAOYSA-N -1 0 329.268 2.627 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001600830488 1095363989 /nfs/dbraw/zinc/36/39/89/1095363989.db2.gz VGSVYNWWHSDLBX-QGZVFWFLSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1oc(C(C)C)nc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600835697 1095368632 /nfs/dbraw/zinc/36/86/32/1095368632.db2.gz LNFRCWJYUIQMEB-AWEZNQCLSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600837793 1095370056 /nfs/dbraw/zinc/37/00/56/1095370056.db2.gz ARRBKJNULBZZMH-UHFFFAOYSA-N -1 0 326.308 2.787 20 30 EFEDRM Cc1oc(CN2CCN(c3ccsc3C#N)CC2)cc1C(=O)[O-] ZINC001600844356 1095376748 /nfs/dbraw/zinc/37/67/48/1095376748.db2.gz FMIAZCSLMPHIKU-UHFFFAOYSA-N -1 0 331.397 2.542 20 30 EFEDRM Cc1oc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600848791 1095377260 /nfs/dbraw/zinc/37/72/60/1095377260.db2.gz WLSCSURYMDSEJG-SNVBAGLBSA-N -1 0 327.340 2.718 20 30 EFEDRM Cc1oc(COC(=O)c2cc(C#N)cc(N(C)C)c2)cc1C(=O)[O-] ZINC001600855294 1095385284 /nfs/dbraw/zinc/38/52/84/1095385284.db2.gz YJKAYVXSTMVSEQ-UHFFFAOYSA-N -1 0 328.324 2.581 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)C#Cc2ccccc2)nc1C(=O)[O-] ZINC001600876787 1095399470 /nfs/dbraw/zinc/39/94/70/1095399470.db2.gz OAEPVPLKQSMRIC-AWEZNQCLSA-N -1 0 340.404 2.865 20 30 EFEDRM Cc1sc([C@@H]2CCCN2c2ncc(C#N)cc2F)nc1C(=O)[O-] ZINC001600879930 1095402988 /nfs/dbraw/zinc/40/29/88/1095402988.db2.gz XFCKTTGUGNXWCM-NSHDSACASA-N -1 0 332.360 2.897 20 30 EFEDRM Cc1sc([C@@H]2CCCN2c2cccc(CC#N)n2)nc1C(=O)[O-] ZINC001600879733 1095403030 /nfs/dbraw/zinc/40/30/30/1095403030.db2.gz SZNUCKRNHMFRFQ-LBPRGKRZSA-N -1 0 328.397 2.952 20 30 EFEDRM Cc1sc([C@H]2CCCN2c2cccc(CC#N)n2)nc1C(=O)[O-] ZINC001600879732 1095403319 /nfs/dbraw/zinc/40/33/19/1095403319.db2.gz SZNUCKRNHMFRFQ-GFCCVEGCSA-N -1 0 328.397 2.952 20 30 EFEDRM Cc1sc(N(C)CCOCc2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001600881337 1095403398 /nfs/dbraw/zinc/40/33/98/1095403398.db2.gz WINQHPWEALOQQF-UHFFFAOYSA-N -1 0 331.397 2.674 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)nc1C(=O)[O-] ZINC001600879823 1095403614 /nfs/dbraw/zinc/40/36/14/1095403614.db2.gz QFCFWQRAZIDKJX-QJPTWQEYSA-N -1 0 348.428 2.689 20 30 EFEDRM Cc1sc(NC(=O)CN2CCC[C@@](C)(C#N)C2)c(C(=O)[O-])c1C ZINC001600885559 1095407673 /nfs/dbraw/zinc/40/76/73/1095407673.db2.gz BNKDMSCVJMCZMQ-INIZCTEOSA-N -1 0 335.429 2.627 20 30 EFEDRM Cc1sc(NC(=O)COc2cccc(C#N)c2)c(C(=O)[O-])c1C ZINC001600888154 1095409116 /nfs/dbraw/zinc/40/91/16/1095409116.db2.gz RZNLHWKERYNPTR-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001600899940 1095413460 /nfs/dbraw/zinc/41/34/60/1095413460.db2.gz YZNUYEUBGJBCFH-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)/C=C/c2ccccc2C#N)c1C(=O)[O-] ZINC001600901324 1095415151 /nfs/dbraw/zinc/41/51/51/1095415151.db2.gz GSLSVNOSUSBWDG-CMDGGOBGSA-N -1 0 346.346 2.795 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)Cc2ccccc2CC#N)c1C(=O)[O-] ZINC001600901180 1095415624 /nfs/dbraw/zinc/41/56/24/1095415624.db2.gz YZVXOTVMOGCWSE-UHFFFAOYSA-N -1 0 348.362 2.519 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)[C@@H](C#N)c1ncc(C(C)(C)C)s1 ZINC001600902121 1095415733 /nfs/dbraw/zinc/41/57/33/1095415733.db2.gz FBILBGIYVCUWDF-SECBINFHSA-N -1 0 331.397 2.967 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001600905474 1095418328 /nfs/dbraw/zinc/41/83/28/1095418328.db2.gz MQFOYRYXYUVWDS-GJZGRUSLSA-N -1 0 337.379 2.635 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001600909330 1095420174 /nfs/dbraw/zinc/42/01/74/1095420174.db2.gz ROOZEZWREKMYMJ-CQSZACIVSA-N -1 0 333.347 2.690 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C(=O)[O-])s1 ZINC001600908342 1095421311 /nfs/dbraw/zinc/42/13/11/1095421311.db2.gz ARAZMENYEGESPO-SECBINFHSA-N -1 0 325.349 2.823 20 30 EFEDRM Cn1cc([C@@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2)cn1 ZINC001600938722 1095437046 /nfs/dbraw/zinc/43/70/46/1095437046.db2.gz DFFWZHUJVYUISJ-OALUTQOASA-N -1 0 346.390 2.797 20 30 EFEDRM Cn1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C(C)(C)C)n1 ZINC001600938773 1095437352 /nfs/dbraw/zinc/43/73/52/1095437352.db2.gz VMQNIAPBFINYOF-UHFFFAOYSA-N -1 0 341.367 2.644 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1C(=O)[O-] ZINC001600945287 1095440743 /nfs/dbraw/zinc/44/07/43/1095440743.db2.gz IUORJQXSDBKUDU-QPJJXVBHSA-N -1 0 338.363 2.849 20 30 EFEDRM Cn1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001600964226 1095448115 /nfs/dbraw/zinc/44/81/15/1095448115.db2.gz IJINPZDPIDMVRJ-AWEZNQCLSA-N -1 0 326.356 2.890 20 30 EFEDRM Cn1cc(NC(=O)c2cccc(C#N)c2Br)cc1C(=O)[O-] ZINC001600965290 1095449936 /nfs/dbraw/zinc/44/99/36/1095449936.db2.gz BYXKTYPWWCLJBK-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1nc(Br)cc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1 ZINC001600999184 1095461077 /nfs/dbraw/zinc/46/10/77/1095461077.db2.gz RMLXIWBSEJXMGM-SREVYHEPSA-N -1 0 335.157 2.777 20 30 EFEDRM N#CC(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1nc2ccccc2s1 ZINC001601047621 1095477458 /nfs/dbraw/zinc/47/74/58/1095477458.db2.gz VUVJQMDFNBYNTK-TUAOUCFPSA-N -1 0 344.392 2.742 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(C(=O)[O-])[nH]1)c1nc2ccccc2n1C(F)F ZINC001601047789 1095478061 /nfs/dbraw/zinc/47/80/61/1095478061.db2.gz XVAMODDBAOTBKG-MRVPVSSYSA-N -1 0 344.277 2.948 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001601047306 1095478531 /nfs/dbraw/zinc/47/85/31/1095478531.db2.gz MIFYHVGXDZWVSN-MRXNPFEDSA-N -1 0 334.375 3.000 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001601049689 1095479911 /nfs/dbraw/zinc/47/99/11/1095479911.db2.gz PCIRGYQWDHEVNE-SJLPKXTDSA-N -1 0 349.390 2.621 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1 ZINC001601048459 1095479976 /nfs/dbraw/zinc/47/99/76/1095479976.db2.gz GAXFXVJAVDPNFI-UHFFFAOYSA-N -1 0 348.349 2.603 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CC[C@H]2CCc3ccccc32)CC1 ZINC001601048061 1095480043 /nfs/dbraw/zinc/48/00/43/1095480043.db2.gz BYNKZOCZYXYXBW-OAHLLOKOSA-N -1 0 326.396 2.714 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001601048853 1095480089 /nfs/dbraw/zinc/48/00/89/1095480089.db2.gz QNBBIDMRSYOLBD-SNVBAGLBSA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001601049845 1095480249 /nfs/dbraw/zinc/48/02/49/1095480249.db2.gz WXQHTEGABLWDTE-CABCVRRESA-N -1 0 330.359 2.536 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001601049637 1095480239 /nfs/dbraw/zinc/48/02/39/1095480239.db2.gz NUMXZMIKNHSLTL-HZPDHXFCSA-N -1 0 338.363 2.819 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001601048873 1095480288 /nfs/dbraw/zinc/48/02/88/1095480288.db2.gz QXSFLIPNJJCDQJ-VDDIYKPWSA-N -1 0 327.167 2.785 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccc(C3CC3)cc2F)CC1 ZINC001601052591 1095481259 /nfs/dbraw/zinc/48/12/59/1095481259.db2.gz SKAPIDANUYUCAU-UHFFFAOYSA-N -1 0 345.374 2.603 20 30 EFEDRM N#CC1(C(=O)[O-])CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001601052539 1095481318 /nfs/dbraw/zinc/48/13/18/1095481318.db2.gz SAMBHYAVFVPXAU-UHFFFAOYSA-N -1 0 329.183 2.889 20 30 EFEDRM N#C[C@@]1(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC12CCCC2 ZINC001601050980 1095481547 /nfs/dbraw/zinc/48/15/47/1095481547.db2.gz VUACLVOVUVZBEH-MRXNPFEDSA-N -1 0 333.775 2.523 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CC12CCCC2 ZINC001601050704 1095481570 /nfs/dbraw/zinc/48/15/70/1095481570.db2.gz GTENGCHEHPUQRE-DYZYQPBXSA-N -1 0 345.424 2.745 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001601051095 1095481667 /nfs/dbraw/zinc/48/16/67/1095481667.db2.gz BYMWNBGHBQDDFI-AWEZNQCLSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC001601051503 1095481669 /nfs/dbraw/zinc/48/16/69/1095481669.db2.gz BCUKGRGEWGKNSL-UHFFFAOYSA-N -1 0 339.298 2.510 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001601052103 1095481784 /nfs/dbraw/zinc/48/17/84/1095481784.db2.gz YXQHSBJEWCRQBN-UHFFFAOYSA-N -1 0 345.786 2.581 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 ZINC001601051596 1095481794 /nfs/dbraw/zinc/48/17/94/1095481794.db2.gz RVRKRKYCAWRRFX-LBPRGKRZSA-N -1 0 343.374 2.602 20 30 EFEDRM N#CC1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCSCC1 ZINC001601051014 1095481831 /nfs/dbraw/zinc/48/18/31/1095481831.db2.gz YBKKKCYLDRSYML-UHFFFAOYSA-N -1 0 326.324 2.638 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC001601055182 1095482741 /nfs/dbraw/zinc/48/27/41/1095482741.db2.gz GQKKSIPZDYKKMX-UHFFFAOYSA-N -1 0 326.274 2.594 20 30 EFEDRM N#CC1(CC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)CCOCC1 ZINC001601053811 1095483183 /nfs/dbraw/zinc/48/31/83/1095483183.db2.gz VHMVEMQGWXVRLN-UHFFFAOYSA-N -1 0 342.395 2.765 20 30 EFEDRM N#CC1(CC(=O)N2CCc3ccc(C(=O)[O-])nc3C2)CCCCC1 ZINC001601054213 1095483512 /nfs/dbraw/zinc/48/35/12/1095483512.db2.gz CHADYDJMKRZDHH-UHFFFAOYSA-N -1 0 327.384 2.529 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2)CC1 ZINC001601058312 1095484366 /nfs/dbraw/zinc/48/43/66/1095484366.db2.gz LGFXGHGEWLCFHV-UHFFFAOYSA-N -1 0 326.396 2.959 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2cccc3cc(C(=O)[O-])ccc32)CC1 ZINC001601058511 1095484421 /nfs/dbraw/zinc/48/44/21/1095484421.db2.gz VRCZMUDYIAXUIA-UHFFFAOYSA-N -1 0 331.349 2.550 20 30 EFEDRM N#CC1(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCC1 ZINC001601056564 1095484461 /nfs/dbraw/zinc/48/44/61/1095484461.db2.gz ONPANBSQQUXLFV-MRXNPFEDSA-N -1 0 341.411 2.854 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001601057611 1095484531 /nfs/dbraw/zinc/48/45/31/1095484531.db2.gz ALQGDCLFHDYPBB-KRWDZBQOSA-N -1 0 327.409 2.899 20 30 EFEDRM N#C[C@]1(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)CCc2ccccc2C1 ZINC001601058109 1095484573 /nfs/dbraw/zinc/48/45/73/1095484573.db2.gz IUXOTQUUXRSZNV-QJSCKGPTSA-N -1 0 336.347 2.558 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCCCC1 ZINC001601056248 1095484875 /nfs/dbraw/zinc/48/48/75/1095484875.db2.gz DXOLOFUVJNHYCY-UHFFFAOYSA-N -1 0 341.411 2.927 20 30 EFEDRM N#C[C@]1(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)CCc2ccccc2C1 ZINC001601058106 1095484908 /nfs/dbraw/zinc/48/49/08/1095484908.db2.gz IUXOTQUUXRSZNV-FNQPIQQGSA-N -1 0 336.347 2.558 20 30 EFEDRM N#CC1CCC(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001601057769 1095484939 /nfs/dbraw/zinc/48/49/39/1095484939.db2.gz DRZSLZVFAGORQR-UHFFFAOYSA-N -1 0 327.384 2.740 20 30 EFEDRM N#CC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CCCCC1 ZINC001601058245 1095485005 /nfs/dbraw/zinc/48/50/05/1095485005.db2.gz JVKIGSUYGXIXFO-UHFFFAOYSA-N -1 0 342.804 2.543 20 30 EFEDRM N#CC1CCC(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001601059393 1095485998 /nfs/dbraw/zinc/48/59/98/1095485998.db2.gz YIXRJQAQYBRCAZ-PPPKJHQXSA-N -1 0 333.432 2.603 20 30 EFEDRM N#CC1(c2ccc(C(=O)OCC(=O)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001601059315 1095486030 /nfs/dbraw/zinc/48/60/30/1095486030.db2.gz YSMYXIXGHBMRPF-UHFFFAOYSA-N -1 0 339.303 2.573 20 30 EFEDRM N#CC1CN(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001601060766 1095486533 /nfs/dbraw/zinc/48/65/33/1095486533.db2.gz JFPXJGQEKZRXLV-UHFFFAOYSA-N -1 0 338.323 2.559 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC001601061207 1095486578 /nfs/dbraw/zinc/48/65/78/1095486578.db2.gz RNWRALLOTOSSLT-GFCCVEGCSA-N -1 0 334.335 2.897 20 30 EFEDRM N#CC[C@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001601061629 1095486591 /nfs/dbraw/zinc/48/65/91/1095486591.db2.gz YMVYJCUUCMSKMR-ZDUSSCGKSA-N -1 0 340.291 2.896 20 30 EFEDRM N#CC1CCC(CNC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001601059430 1095486672 /nfs/dbraw/zinc/48/66/72/1095486672.db2.gz YYKYQSSYRQDQML-OFLPRAFFSA-N -1 0 343.427 2.559 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001601065350 1095487736 /nfs/dbraw/zinc/48/77/36/1095487736.db2.gz IMKILJJGGSCVLZ-UHFFFAOYSA-N -1 0 343.314 2.854 20 30 EFEDRM N#CCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001601066087 1095488230 /nfs/dbraw/zinc/48/82/30/1095488230.db2.gz COPMSPJATMKMPN-HRCADAONSA-N -1 0 330.384 2.560 20 30 EFEDRM N#CCC[C@@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001601066971 1095488244 /nfs/dbraw/zinc/48/82/44/1095488244.db2.gz SNEMAEUFMYGTOE-VNQPRFMTSA-N -1 0 329.400 2.974 20 30 EFEDRM N#CCC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001601066838 1095488568 /nfs/dbraw/zinc/48/85/68/1095488568.db2.gz QMGKTUUHDJHAMO-HNNXBMFYSA-N -1 0 338.367 2.875 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001601072859 1095489339 /nfs/dbraw/zinc/48/93/39/1095489339.db2.gz PLGGSAFONGDSEG-UHFFFAOYSA-N -1 0 332.143 2.702 20 30 EFEDRM N#CCCn1ccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001601069635 1095489649 /nfs/dbraw/zinc/48/96/49/1095489649.db2.gz FZQJRBUNPDXKIJ-UHFFFAOYSA-N -1 0 333.735 2.792 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001601067697 1095489740 /nfs/dbraw/zinc/48/97/40/1095489740.db2.gz HRXUZLOKIRCIOB-UHFFFAOYSA-N -1 0 348.746 2.974 20 30 EFEDRM N#CCCn1cc(CNc2ccc(C(=O)[O-])nc2)c(-c2ccncc2)n1 ZINC001601068544 1095489876 /nfs/dbraw/zinc/48/98/76/1095489876.db2.gz FOBZNJYFPDSHQI-UHFFFAOYSA-N -1 0 348.366 2.564 20 30 EFEDRM N#CCCCn1cc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c2ccccc21 ZINC001601067265 1095489896 /nfs/dbraw/zinc/48/98/96/1095489896.db2.gz RUJYTIGIUWUWQD-LRDDRELGSA-N -1 0 343.358 2.582 20 30 EFEDRM N#CCCNC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001601068040 1095489998 /nfs/dbraw/zinc/48/99/98/1095489998.db2.gz CHLYFQOXLUYNOP-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM N#CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001601073842 1095490990 /nfs/dbraw/zinc/49/09/90/1095490990.db2.gz BJUOXPHXRVGBHB-QFBILLFUSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601074442 1095491414 /nfs/dbraw/zinc/49/14/14/1095491414.db2.gz YROUWXSGQXNWLR-INIZCTEOSA-N -1 0 345.399 2.992 20 30 EFEDRM N#CCN(CCCCOc1ccccc1C(F)(F)F)CC(=O)[O-] ZINC001601073311 1095491511 /nfs/dbraw/zinc/49/15/11/1095491511.db2.gz OLGAEQYBAIEARP-UHFFFAOYSA-N -1 0 330.306 2.775 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1 ZINC001601075530 1095491520 /nfs/dbraw/zinc/49/15/20/1095491520.db2.gz NOSYNSJIKBNQSW-OSRDXIQISA-N -1 0 330.409 2.531 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001601075029 1095491574 /nfs/dbraw/zinc/49/15/74/1095491574.db2.gz BSWQIXIGPUMXRJ-UHFFFAOYSA-N -1 0 326.377 2.930 20 30 EFEDRM N#CCN(CCCCOc1ccc(Br)cc1)CC(=O)[O-] ZINC001601073446 1095491582 /nfs/dbraw/zinc/49/15/82/1095491582.db2.gz VSVVPRFXJPQBCQ-UHFFFAOYSA-N -1 0 341.205 2.518 20 30 EFEDRM N#CCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001601074270 1095491615 /nfs/dbraw/zinc/49/16/15/1095491615.db2.gz QAWYIAJLEVUHTM-UHFFFAOYSA-N -1 0 346.730 2.980 20 30 EFEDRM N#CCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001601074081 1095491804 /nfs/dbraw/zinc/49/18/04/1095491804.db2.gz IPDYOTJVWVFEBK-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001601076713 1095492998 /nfs/dbraw/zinc/49/29/98/1095492998.db2.gz YIDLRDALNBXXRX-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#CCc1ccccc1CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001601078196 1095493042 /nfs/dbraw/zinc/49/30/42/1095493042.db2.gz IHUDGBMVOAGYHX-KRWDZBQOSA-N -1 0 328.412 2.835 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001601077847 1095493202 /nfs/dbraw/zinc/49/32/02/1095493202.db2.gz NLVTTZNYAAJSBE-QGZVFWFLSA-N -1 0 348.358 2.925 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001601077951 1095493262 /nfs/dbraw/zinc/49/32/62/1095493262.db2.gz SGJMJHZKDANBRK-GFCCVEGCSA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001601078046 1095493499 /nfs/dbraw/zinc/49/34/99/1095493499.db2.gz GHCVFLWMFCGLDP-UHFFFAOYSA-N -1 0 344.392 2.571 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001601076511 1095493533 /nfs/dbraw/zinc/49/35/33/1095493533.db2.gz SRRNRZSTVWBVPT-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001601076664 1095493578 /nfs/dbraw/zinc/49/35/78/1095493578.db2.gz OIQBFOJGQXTODH-UHFFFAOYSA-N -1 0 344.758 2.821 20 30 EFEDRM N#CCOc1ccccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001601076425 1095493601 /nfs/dbraw/zinc/49/36/01/1095493601.db2.gz QVTQTOKGNCIMCH-UHFFFAOYSA-N -1 0 330.384 2.744 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001601078702 1095495013 /nfs/dbraw/zinc/49/50/13/1095495013.db2.gz WJRAICFEPXUITE-OKZBNKHCSA-N -1 0 340.423 2.787 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc2ccccc21 ZINC001601079306 1095495021 /nfs/dbraw/zinc/49/50/21/1095495021.db2.gz UURCVEYQXAEUJG-OAHLLOKOSA-N -1 0 348.362 2.506 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccc(C(=O)[O-])s2)cc1F ZINC001601080819 1095496172 /nfs/dbraw/zinc/49/61/72/1095496172.db2.gz JPXJHKYKPXGERV-UHFFFAOYSA-N -1 0 337.307 2.918 20 30 EFEDRM N#Cc1c(Cl)nsc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601081178 1095496302 /nfs/dbraw/zinc/49/63/02/1095496302.db2.gz PAUMPHGZXFMDEK-VXGBXAGGSA-N -1 0 333.800 2.973 20 30 EFEDRM N#Cc1c(CN2CCO[C@@H](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001601082464 1095496310 /nfs/dbraw/zinc/49/63/10/1095496310.db2.gz VHFQDXWJSLFSMX-KRWDZBQOSA-N -1 0 336.391 2.700 20 30 EFEDRM N#Cc1c(Cl)nsc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601081508 1095496336 /nfs/dbraw/zinc/49/63/36/1095496336.db2.gz WEDOCFDMPBAYFE-NWDGAFQWSA-N -1 0 349.799 2.678 20 30 EFEDRM N#Cc1c(CN2CCc3c(cccc3[N+](=O)[O-])C2)cccc1C(=O)[O-] ZINC001601082025 1095496578 /nfs/dbraw/zinc/49/65/78/1095496578.db2.gz OGVMMYBIPXTOTC-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001601080972 1095496586 /nfs/dbraw/zinc/49/65/86/1095496586.db2.gz GTOFELFNAXCBGY-UHFFFAOYSA-N -1 0 331.331 2.941 20 30 EFEDRM N#Cc1c(CN2CCOC(C3CC3)(C3CC3)C2)cccc1C(=O)[O-] ZINC001601081379 1095496688 /nfs/dbraw/zinc/49/66/88/1095496688.db2.gz FXQUIBPYHVFVLN-UHFFFAOYSA-N -1 0 326.396 2.647 20 30 EFEDRM N#Cc1c(COC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cccc1C(=O)[O-] ZINC001601083669 1095497505 /nfs/dbraw/zinc/49/75/05/1095497505.db2.gz NGMBCPXHOQRLRD-CJNGLKHVSA-N -1 0 329.352 2.647 20 30 EFEDRM N#Cc1c(COC(=O)c2c[nH]c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001601083884 1095497533 /nfs/dbraw/zinc/49/75/33/1095497533.db2.gz WUJBODJBXZLMSI-UHFFFAOYSA-N -1 0 338.241 2.960 20 30 EFEDRM N#Cc1c(COC(=O)CSCC(F)(F)F)cccc1C(=O)[O-] ZINC001601083690 1095497545 /nfs/dbraw/zinc/49/75/45/1095497545.db2.gz NWVIIJBOJGRRBN-UHFFFAOYSA-N -1 0 333.287 2.595 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NC3(CC(=O)[O-])CCCCC3)ccc12 ZINC001601084931 1095497562 /nfs/dbraw/zinc/49/75/62/1095497562.db2.gz IMFYVUNUTARGBG-UHFFFAOYSA-N -1 0 325.368 2.947 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601083016 1095497724 /nfs/dbraw/zinc/49/77/24/1095497724.db2.gz XCAAPLNULHLKBB-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(O)ccc2Cl)cccc1C(=O)[O-] ZINC001601083853 1095497900 /nfs/dbraw/zinc/49/79/00/1095497900.db2.gz VNBPGFUONQKUSW-UHFFFAOYSA-N -1 0 331.711 2.972 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1cc(C(=O)[O-])ccn1)CCCC2 ZINC001601084466 1095498065 /nfs/dbraw/zinc/49/80/65/1095498065.db2.gz VUDFNIJAVKSBGH-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(Cl)cc2N)cccc1C(=O)[O-] ZINC001601083459 1095498187 /nfs/dbraw/zinc/49/81/87/1095498187.db2.gz FZODGHRHBSQGEH-UHFFFAOYSA-N -1 0 330.727 2.849 20 30 EFEDRM N#Cc1c2c(cn(Cc3cc(C(=O)[O-])ccc3Cl)c1=O)CCC2 ZINC001601084038 1095498200 /nfs/dbraw/zinc/49/82/00/1095498200.db2.gz FBYDIHSNJICOFQ-UHFFFAOYSA-N -1 0 328.755 2.609 20 30 EFEDRM N#Cc1c(COC(=O)c2c(N)cccc2Cl)cccc1C(=O)[O-] ZINC001601083820 1095498246 /nfs/dbraw/zinc/49/82/46/1095498246.db2.gz TUETTYQTHOMIFE-UHFFFAOYSA-N -1 0 330.727 2.849 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])ccc12 ZINC001601085300 1095499043 /nfs/dbraw/zinc/49/90/43/1095499043.db2.gz QXQGAMCXGCADGU-UHFFFAOYSA-N -1 0 339.273 2.519 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)ccn1 ZINC001601085907 1095499184 /nfs/dbraw/zinc/49/91/84/1095499184.db2.gz PUOZVGPAIMAXKA-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)ccc1F ZINC001601085929 1095499466 /nfs/dbraw/zinc/49/94/66/1095499466.db2.gz QGOJIANZDZXERW-UIORMTCPSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCCSCc2ccccc2)c1=O ZINC001601087558 1095500220 /nfs/dbraw/zinc/50/02/20/1095500220.db2.gz LIEPBWUFGPVNAI-UHFFFAOYSA-N -1 0 328.393 2.742 20 30 EFEDRM N#Cc1cc(C(=O)Oc2cccc(C(=O)[O-])c2)cnc1C(F)(F)F ZINC001601088396 1095500381 /nfs/dbraw/zinc/50/03/81/1095500381.db2.gz VCPIUBQDNUBJNX-UHFFFAOYSA-N -1 0 336.225 2.889 20 30 EFEDRM N#Cc1cc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)ccc1Cl ZINC001601087427 1095500441 /nfs/dbraw/zinc/50/04/41/1095500441.db2.gz JMEBNONXXYUBEH-UHFFFAOYSA-N -1 0 343.722 2.950 20 30 EFEDRM N#Cc1cc(Cl)ccc1Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC001601087429 1095500657 /nfs/dbraw/zinc/50/06/57/1095500657.db2.gz UVFPSXWQWRHARK-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001601088851 1095500740 /nfs/dbraw/zinc/50/07/40/1095500740.db2.gz IDQCVGOUTVBOFN-UHFFFAOYSA-N -1 0 348.721 2.766 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2csc(C3CCCCC3)n2)c1=O ZINC001601088315 1095500941 /nfs/dbraw/zinc/50/09/41/1095500941.db2.gz ZFWKIAYLQQCNFK-UHFFFAOYSA-N -1 0 343.408 2.971 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC001601088449 1095501165 /nfs/dbraw/zinc/50/11/65/1095501165.db2.gz VJOHTZBUCBERGD-ZDUSSCGKSA-N -1 0 344.317 2.652 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(F)c1 ZINC001601088053 1095501509 /nfs/dbraw/zinc/50/15/09/1095501509.db2.gz OBMUFXYNUXSWOU-LBPRGKRZSA-N -1 0 336.338 2.847 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601091506 1095502366 /nfs/dbraw/zinc/50/23/66/1095502366.db2.gz NUTCRQWRKGKFKW-OAHLLOKOSA-N -1 0 336.326 2.921 20 30 EFEDRM N#Cc1cc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(F)cc1F ZINC001601090557 1095502505 /nfs/dbraw/zinc/50/25/05/1095502505.db2.gz HQUJSBARCNMBDW-GFCCVEGCSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001601090959 1095502592 /nfs/dbraw/zinc/50/25/92/1095502592.db2.gz DEMNMSRCWFLESW-VHSXEESVSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1cc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)ccc1F ZINC001601090593 1095502663 /nfs/dbraw/zinc/50/26/63/1095502663.db2.gz IZJXVZBQIUVMKM-SJKOYZFVSA-N -1 0 331.347 2.806 20 30 EFEDRM N#Cc1ccc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)cc1 ZINC001601092576 1095504125 /nfs/dbraw/zinc/50/41/25/1095504125.db2.gz UFMFZPXVWOXSLA-UHFFFAOYSA-N -1 0 334.331 2.975 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1Cl ZINC001601093271 1095504214 /nfs/dbraw/zinc/50/42/14/1095504214.db2.gz ZJKFUOWQSRULTF-KCQAQPDRSA-N -1 0 332.787 2.927 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601094098 1095504229 /nfs/dbraw/zinc/50/42/29/1095504229.db2.gz MYTKQVPYXHBOQS-JKSUJKDBSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1O ZINC001601092502 1095504531 /nfs/dbraw/zinc/50/45/31/1095504531.db2.gz RTVLGJISHCHGBO-HNNXBMFYSA-N -1 0 330.384 2.665 20 30 EFEDRM N#Cc1ccc(Br)c(COc2cccnc2C(=O)[O-])c1 ZINC001601092486 1095504744 /nfs/dbraw/zinc/50/47/44/1095504744.db2.gz HXVRGHGPNLKQBE-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001601095398 1095505546 /nfs/dbraw/zinc/50/55/46/1095505546.db2.gz PLBUABSENQSQOT-GFCCVEGCSA-N -1 0 341.797 2.873 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H]2CCC3(CCC3)O2)C(=O)[O-])cc1 ZINC001601095794 1095506498 /nfs/dbraw/zinc/50/64/98/1095506498.db2.gz CGQFWPWGHNUCLO-GDBMZVCRSA-N -1 0 329.352 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1O ZINC001601094369 1095506922 /nfs/dbraw/zinc/50/69/22/1095506922.db2.gz TZBXEVGMRDMTJN-SFHVURJKSA-N -1 0 346.342 2.973 20 30 EFEDRM N#Cc1ccc([C@@H](O)CNc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001601095763 1095506978 /nfs/dbraw/zinc/50/69/78/1095506978.db2.gz BQZBEQHJTDEALE-SFHVURJKSA-N -1 0 340.379 2.947 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)CCC2)cc1 ZINC001601097192 1095508322 /nfs/dbraw/zinc/50/83/22/1095508322.db2.gz ADPFZJIDVQCWPF-ZBFHGGJFSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1ccc([C@H](N[C@H]2c3ccccc3OC[C@@H]2F)C(=O)[O-])cc1 ZINC001601096437 1095508356 /nfs/dbraw/zinc/50/83/56/1095508356.db2.gz DODKGYBHBBYPGN-XIRDDKMYSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1 ZINC001601096574 1095508566 /nfs/dbraw/zinc/50/85/66/1095508566.db2.gz YDXQBJUBDCKOJY-AWEZNQCLSA-N -1 0 348.717 2.721 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CSC[C@H]2CCCCO2)C(=O)[O-])cc1 ZINC001601095829 1095508818 /nfs/dbraw/zinc/50/88/18/1095508818.db2.gz DDZVAABILSFVCI-ZBFHGGJFSA-N -1 0 349.408 2.529 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCCc2ccccc2N)C(=O)[O-])cc1 ZINC001601096077 1095508907 /nfs/dbraw/zinc/50/89/07/1095508907.db2.gz NNIJSUWMYJGERM-SFHVURJKSA-N -1 0 338.363 2.832 20 30 EFEDRM N#Cc1ccc(CC(=O)COC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001601097936 1095510034 /nfs/dbraw/zinc/51/00/34/1095510034.db2.gz HGXXCGPZAGMNQU-UHFFFAOYSA-N -1 0 343.379 2.638 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Cc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC001601097901 1095510171 /nfs/dbraw/zinc/51/01/71/1095510171.db2.gz PGGRLTUWYIBFNG-UHFFFAOYSA-N -1 0 334.375 2.995 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001601097357 1095510370 /nfs/dbraw/zinc/51/03/70/1095510370.db2.gz CESFIMBQOSNLTH-UHFFFAOYSA-N -1 0 345.305 2.899 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@H]3CC(=O)[O-])CCCC2)cc1 ZINC001601099072 1095510500 /nfs/dbraw/zinc/51/05/00/1095510500.db2.gz IMXJCCTWWAWRAV-INIZCTEOSA-N -1 0 326.396 2.836 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cc1 ZINC001601099963 1095511359 /nfs/dbraw/zinc/51/13/59/1095511359.db2.gz TVNPDRVFWWUWLH-UHFFFAOYSA-N -1 0 338.319 2.556 20 30 EFEDRM N#Cc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)c([N+](=O)[O-])c1 ZINC001601100606 1095511593 /nfs/dbraw/zinc/51/15/93/1095511593.db2.gz RAZWKQPSJHXYOB-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nc(C(F)F)cc(=O)[nH]2)C(=O)[O-])cc1 ZINC001601099646 1095511686 /nfs/dbraw/zinc/51/16/86/1095511686.db2.gz SLTZLVWOAVQBAU-NSHDSACASA-N -1 0 337.307 2.909 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCCc2ccccc2C(=O)[O-])cc1 ZINC001601100377 1095511770 /nfs/dbraw/zinc/51/17/70/1095511770.db2.gz ZLGMMLYSZKQRMD-QGZVFWFLSA-N -1 0 348.358 2.725 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc3c2CC(=O)CC3)C(=O)[O-])cc1 ZINC001601099954 1095511927 /nfs/dbraw/zinc/51/19/27/1095511927.db2.gz XMKSKPOORMIQST-GOSISDBHSA-N -1 0 349.342 2.599 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC001601099347 1095512124 /nfs/dbraw/zinc/51/21/24/1095512124.db2.gz LBVIKHGTNLKYDC-FGTMMUONSA-N -1 0 340.423 2.983 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001601099227 1095512364 /nfs/dbraw/zinc/51/23/64/1095512364.db2.gz INAVSLGAKGAGBO-QGZVFWFLSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001601103112 1095513160 /nfs/dbraw/zinc/51/31/60/1095513160.db2.gz DCGNXPOSUOCFMK-HUUCEWRRSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)c(F)c1 ZINC001601101230 1095513692 /nfs/dbraw/zinc/51/36/92/1095513692.db2.gz DBXGDOHDVNCLMQ-UHFFFAOYSA-N -1 0 347.390 2.922 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001601103006 1095513771 /nfs/dbraw/zinc/51/37/71/1095513771.db2.gz XHVOQACPBXKWAB-UHFFFAOYSA-N -1 0 330.359 2.739 20 30 EFEDRM N#Cc1ccc(CNC(=O)COc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001601100810 1095513930 /nfs/dbraw/zinc/51/39/30/1095513930.db2.gz ZSTZBTSWXIIBKV-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001601105793 1095514772 /nfs/dbraw/zinc/51/47/72/1095514772.db2.gz ISRYZHLWIBMLCA-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601106576 1095515044 /nfs/dbraw/zinc/51/50/44/1095515044.db2.gz VRJJXUMLPVDHOD-CYBMUJFWSA-N -1 0 345.252 2.568 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC001601103520 1095515095 /nfs/dbraw/zinc/51/50/95/1095515095.db2.gz SFMMYOGQYGAHBI-MRXNPFEDSA-N -1 0 340.766 2.863 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001601103688 1095515367 /nfs/dbraw/zinc/51/53/67/1095515367.db2.gz WINGBEVFUBEHCU-AWEZNQCLSA-N -1 0 328.755 2.810 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2csc(C(=O)[O-])n2)c1 ZINC001601108378 1095515950 /nfs/dbraw/zinc/51/59/50/1095515950.db2.gz NEXGOZKLHFRBCR-UHFFFAOYSA-N -1 0 328.353 2.540 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001601108638 1095516099 /nfs/dbraw/zinc/51/60/99/1095516099.db2.gz NIIOOBJZAYIHDZ-ZJUUUORDSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001601108235 1095516233 /nfs/dbraw/zinc/51/62/33/1095516233.db2.gz IBTUSDIWDGZJKG-DLBZAZTESA-N -1 0 335.363 2.797 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601113445 1095518024 /nfs/dbraw/zinc/51/80/24/1095518024.db2.gz DTEAVSAJOATGBI-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001601110121 1095518275 /nfs/dbraw/zinc/51/82/75/1095518275.db2.gz IOUUYYDSJQELRI-ZDUSSCGKSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(S[C@@H]2CCCN(CCC(=O)[O-])C2=O)c(Cl)c1 ZINC001601113464 1095518509 /nfs/dbraw/zinc/51/85/09/1095518509.db2.gz FUJLSFYTEUMCOH-CYBMUJFWSA-N -1 0 338.816 2.769 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC001601113454 1095518672 /nfs/dbraw/zinc/51/86/72/1095518672.db2.gz FGPCZOSTBJRJCT-UHFFFAOYSA-N -1 0 343.360 2.513 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001601109916 1095518702 /nfs/dbraw/zinc/51/87/02/1095518702.db2.gz BNDFMMFJIRMANW-ZDUSSCGKSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC001601115521 1095519498 /nfs/dbraw/zinc/51/94/98/1095519498.db2.gz XPAYTFPWKWVYLL-UHFFFAOYSA-N -1 0 349.390 2.746 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001601114601 1095520260 /nfs/dbraw/zinc/52/02/60/1095520260.db2.gz UQRXTDKHGSPGTF-SFHVURJKSA-N -1 0 349.390 2.864 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601114219 1095520471 /nfs/dbraw/zinc/52/04/71/1095520471.db2.gz OLUXFBWCXQFHCQ-JTQLQIEISA-N -1 0 344.352 2.615 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)on2)c1 ZINC001601116065 1095521072 /nfs/dbraw/zinc/52/10/72/1095521072.db2.gz IMFPWYUVGQWAPO-RISCZKNCSA-N -1 0 339.351 2.586 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001601115839 1095521087 /nfs/dbraw/zinc/52/10/87/1095521087.db2.gz WHXINRLGHKVSOY-INMHGKMJSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C[C@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC001601117058 1095521921 /nfs/dbraw/zinc/52/19/21/1095521921.db2.gz BGRKARMAHKQGDG-QAPCUYQASA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC001601118281 1095522949 /nfs/dbraw/zinc/52/29/49/1095522949.db2.gz UZQGDRKLSSNQKI-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCCc2ccccc2N)C(=O)[O-])c1 ZINC001601118722 1095523512 /nfs/dbraw/zinc/52/35/12/1095523512.db2.gz ZIYKJFCHQQLBDJ-SFHVURJKSA-N -1 0 338.363 2.832 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001601119615 1095524068 /nfs/dbraw/zinc/52/40/68/1095524068.db2.gz VBVBNWQQXYMDTF-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3nc(CCC(=O)[O-])cs3)CC2)c1 ZINC001601120424 1095524985 /nfs/dbraw/zinc/52/49/85/1095524985.db2.gz UQXJFXZTJFOLDQ-UHFFFAOYSA-N -1 0 341.392 2.702 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)c1 ZINC001601120577 1095525064 /nfs/dbraw/zinc/52/50/64/1095525064.db2.gz ZKTIFGZSCBDDEC-MRXNPFEDSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])[nH]2)C(F)(F)F)c1 ZINC001601119848 1095525641 /nfs/dbraw/zinc/52/56/41/1095525641.db2.gz ZIKDPVNQSCWLBR-GFCCVEGCSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)c1 ZINC001601120576 1095526148 /nfs/dbraw/zinc/52/61/48/1095526148.db2.gz ZKTIFGZSCBDDEC-INIZCTEOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1cccc(OCC(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC001601121743 1095526909 /nfs/dbraw/zinc/52/69/09/1095526909.db2.gz SQWVDRXGHBIRCZ-UHFFFAOYSA-N -1 0 343.360 2.719 20 30 EFEDRM N#Cc1cccc(OC2CCN(C(=O)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC001601121863 1095527051 /nfs/dbraw/zinc/52/70/51/1095527051.db2.gz XFEJKMQAPCNQKB-UHFFFAOYSA-N -1 0 340.335 2.533 20 30 EFEDRM N#Cc1cccc(OC2CCN(Cc3nc(C(=O)[O-])cs3)CC2)c1 ZINC001601121390 1095527059 /nfs/dbraw/zinc/52/70/59/1095527059.db2.gz JZQZBPUDPBUERL-UHFFFAOYSA-N -1 0 343.408 2.756 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001601123852 1095527549 /nfs/dbraw/zinc/52/75/49/1095527549.db2.gz WVQOYGJOSUWNNA-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)c21 ZINC001601124283 1095528644 /nfs/dbraw/zinc/52/86/44/1095528644.db2.gz ITSCEIRTEYAPJM-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001601124976 1095528923 /nfs/dbraw/zinc/52/89/23/1095528923.db2.gz AEMVGZTXIGVELJ-IBSYWUHOSA-N -1 0 332.359 2.862 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001601124982 1095529208 /nfs/dbraw/zinc/52/92/08/1095529208.db2.gz AJWWNHICVPMDEF-CMDGGOBGSA-N -1 0 337.331 2.892 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601124988 1095530267 /nfs/dbraw/zinc/53/02/67/1095530267.db2.gz ASGQCBNCGZDDKL-HJWRWDBZSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1ccccc1NC(=S)NCCc1cccc(C(=O)[O-])c1 ZINC001601125974 1095530479 /nfs/dbraw/zinc/53/04/79/1095530479.db2.gz UDYISYBORULRMY-UHFFFAOYSA-N -1 0 325.393 2.786 20 30 EFEDRM N#Cc1ccccc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601125736 1095531118 /nfs/dbraw/zinc/53/11/18/1095531118.db2.gz JKRQERIECBGGQE-UHFFFAOYSA-N -1 0 326.264 2.522 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001601125799 1095531209 /nfs/dbraw/zinc/53/12/09/1095531209.db2.gz KDMBAFDHGLSIPX-VQHVLOKHSA-N -1 0 336.347 2.933 20 30 EFEDRM N#Cc1ccccc1NC(=S)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001601125363 1095531255 /nfs/dbraw/zinc/53/12/55/1095531255.db2.gz GOZOKXQEXQOQBL-YDHLFZDLSA-N -1 0 329.425 2.830 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001601127444 1095531594 /nfs/dbraw/zinc/53/15/94/1095531594.db2.gz MDLCFQMLTMKTSN-ZDUSSCGKSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1csc(C(=O)OCCOc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001601130686 1095532227 /nfs/dbraw/zinc/53/22/27/1095532227.db2.gz JQTGIRWOACINGS-UTCJRWHESA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001601128731 1095532410 /nfs/dbraw/zinc/53/24/10/1095532410.db2.gz CALJELVVACLNSM-SGMGOOAPSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(Cl)c1 ZINC001601129008 1095532476 /nfs/dbraw/zinc/53/24/76/1095532476.db2.gz HUSTXFYOPXZNHR-SNVBAGLBSA-N -1 0 335.772 2.614 20 30 EFEDRM N#Cc1csc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC001601130892 1095532514 /nfs/dbraw/zinc/53/25/14/1095532514.db2.gz MGBNSGOEVVWYLJ-UHFFFAOYSA-N -1 0 327.321 2.947 20 30 EFEDRM N#Cc1csc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001601130188 1095532599 /nfs/dbraw/zinc/53/25/99/1095532599.db2.gz BJBQBXUUQVJGSZ-UHFFFAOYSA-N -1 0 327.365 2.520 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001601130648 1095532801 /nfs/dbraw/zinc/53/28/01/1095532801.db2.gz SQJDIWGKXUVNBT-UHFFFAOYSA-N -1 0 327.771 2.863 20 30 EFEDRM N#Cc1csc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])c1 ZINC001601130612 1095533121 /nfs/dbraw/zinc/53/31/21/1095533121.db2.gz IJBBZZNHDLXAEZ-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(Cl)c1 ZINC001601129007 1095533194 /nfs/dbraw/zinc/53/31/94/1095533194.db2.gz HUSTXFYOPXZNHR-JTQLQIEISA-N -1 0 335.772 2.614 20 30 EFEDRM N#Cc1csc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1 ZINC001601130434 1095533200 /nfs/dbraw/zinc/53/32/00/1095533200.db2.gz GEFCCVNBRVVCAD-UHFFFAOYSA-N -1 0 342.424 2.789 20 30 EFEDRM N#Cc1cnc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(Cl)c1 ZINC001601130026 1095533392 /nfs/dbraw/zinc/53/33/92/1095533392.db2.gz GITOUMMTIBGZJX-QGZVFWFLSA-N -1 0 327.771 2.839 20 30 EFEDRM N#Cc1cnc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001601130817 1095533472 /nfs/dbraw/zinc/53/34/72/1095533472.db2.gz WWGAGFHNSKSBJH-ZIAGYGMSSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1NC[C@@H](CC1CC1)C(=O)[O-] ZINC001601130697 1095533481 /nfs/dbraw/zinc/53/34/81/1095533481.db2.gz LESWMUHECDDAFI-SNVBAGLBSA-N -1 0 331.322 2.719 20 30 EFEDRM N#Cc1cnc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c(F)c1 ZINC001601131050 1095534232 /nfs/dbraw/zinc/53/42/32/1095534232.db2.gz YTSHLSTXEJYCJG-JTQLQIEISA-N -1 0 332.360 2.631 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001601133779 1095534531 /nfs/dbraw/zinc/53/45/31/1095534531.db2.gz VMGAGBKDYMXDSH-UHFFFAOYSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCOc1ccc(F)c(Cl)c1 ZINC001601133039 1095534840 /nfs/dbraw/zinc/53/48/40/1095534840.db2.gz KVJRHXXTUHNMTD-UHFFFAOYSA-N -1 0 335.722 2.935 20 30 EFEDRM N#Cc1cscc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601132207 1095535001 /nfs/dbraw/zinc/53/50/01/1095535001.db2.gz LDNYSRBWODKIRE-ZIAGYGMSSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001601132852 1095535014 /nfs/dbraw/zinc/53/50/14/1095535014.db2.gz FVPOQGRRTOVTPO-ZDUSSCGKSA-N -1 0 343.770 2.963 20 30 EFEDRM N#Cc1nc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1Cl ZINC001601134508 1095536045 /nfs/dbraw/zinc/53/60/45/1095536045.db2.gz SLEIAMVHVPGHIU-CHWSQXEVSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1nc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC001601134111 1095536138 /nfs/dbraw/zinc/53/61/38/1095536138.db2.gz ILSZYUCSPVPLIA-SNVBAGLBSA-N -1 0 341.751 2.751 20 30 EFEDRM N#Cc1ncc(C(F)(F)F)cc1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001601134313 1095536173 /nfs/dbraw/zinc/53/61/73/1095536173.db2.gz NWYGAGYMAPHDOV-JTQLQIEISA-N -1 0 325.290 2.663 20 30 EFEDRM N#Cc1nc(F)ccc1OCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001601134612 1095536745 /nfs/dbraw/zinc/53/67/45/1095536745.db2.gz IUIJGSNYQMPTFW-FPYGCLRLSA-N -1 0 328.299 2.648 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccn(Cc2ccccc2)n1 ZINC001601134543 1095536842 /nfs/dbraw/zinc/53/68/42/1095536842.db2.gz GXXSCBIVZSSVID-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM O=C([O-])c1cnc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)s1 ZINC001601224527 1095562816 /nfs/dbraw/zinc/56/28/16/1095562816.db2.gz VQDBNKRGFKUBLV-UHFFFAOYSA-N -1 0 340.282 2.850 20 30 EFEDRM O=C([O-])c1occc1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001601242303 1095572506 /nfs/dbraw/zinc/57/25/06/1095572506.db2.gz AGDYWXCKSKEBMY-DUXPYHPUSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])c1c[nH]c2cc(NC(=O)NCC#C[C@@H]3CCCCO3)ccc12 ZINC001601449586 1095678269 /nfs/dbraw/zinc/67/82/69/1095678269.db2.gz ZDNFSDMBPSJGNU-ZDUSSCGKSA-N -1 0 341.367 2.560 20 30 EFEDRM O=C([O-])/C=C/c1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)o1 ZINC001601877432 1095949232 /nfs/dbraw/zinc/94/92/32/1095949232.db2.gz RPNVLSJDBWFKLF-NJHPPEEMSA-N -1 0 332.381 2.880 20 30 EFEDRM O=C([O-])C[C@@H](NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001601899327 1095964199 /nfs/dbraw/zinc/96/41/99/1095964199.db2.gz HPZVHAPUNWRZLQ-QGZVFWFLSA-N -1 0 325.339 2.900 20 30 EFEDRM O=C([O-])CCCCC(=NOCC(=O)N1CCCCC1)C(F)(F)F ZINC001601980687 1096004469 /nfs/dbraw/zinc/00/44/69/1096004469.db2.gz AVJUCPZRUYKPDR-UHFFFAOYSA-N -1 0 338.326 2.579 20 30 EFEDRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001602109431 1096068843 /nfs/dbraw/zinc/06/88/43/1096068843.db2.gz UYESNADQBGWEBD-OCCSQVGLSA-N -1 0 339.313 2.817 20 30 EFEDRM O=C([O-])c1cc(C(=O)OCC#Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC001602250239 1096138501 /nfs/dbraw/zinc/13/85/01/1096138501.db2.gz XIZOBMJRSOGTKQ-UHFFFAOYSA-N -1 0 325.276 2.502 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ncc(Br)s2)c[nH]1 ZINC001602254588 1096141559 /nfs/dbraw/zinc/14/15/59/1096141559.db2.gz CZKCMNRDVJCQBL-OWOJBTEDSA-N -1 0 327.159 2.828 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)nc1 ZINC001602331165 1096182449 /nfs/dbraw/zinc/18/24/49/1096182449.db2.gz WDBQYVKTKAWYKN-VMPITWQZSA-N -1 0 338.363 2.513 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2ncnc3c2cnn3-c2ccccc2)o1 ZINC001602331222 1096182762 /nfs/dbraw/zinc/18/27/62/1096182762.db2.gz VBRYJNZTLHERRK-UHFFFAOYSA-N -1 0 348.322 2.553 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC001602382659 1096216405 /nfs/dbraw/zinc/21/64/05/1096216405.db2.gz VEZPLCSLHUAYKR-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM O=C([O-])c1ccc(S(=O)(=O)OCC(F)(F)F)c2ccccc12 ZINC001602402698 1096222353 /nfs/dbraw/zinc/22/23/53/1096222353.db2.gz PPUGEGACHJMAPH-UHFFFAOYSA-N -1 0 334.271 2.806 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@]23CCO[C@H]2CCCC3)c1 ZINC001602430791 1096241397 /nfs/dbraw/zinc/24/13/97/1096241397.db2.gz QYVLCFCJLJZCGS-QFBILLFUSA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3c[nH]cn3)c2)c1 ZINC001602429997 1096241417 /nfs/dbraw/zinc/24/14/17/1096241417.db2.gz ALWLSBINYIFSBM-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@H]2CCCN2c2ccccc2)c1 ZINC001602430836 1096241959 /nfs/dbraw/zinc/24/19/59/1096241959.db2.gz TUOJKDNSJPGLHJ-IBGZPJMESA-N -1 0 349.386 2.949 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H](O)C3CCC3)c2)c1 ZINC001602431092 1096242145 /nfs/dbraw/zinc/24/21/45/1096242145.db2.gz VSBRLNVHDKTXHF-LJQANCHMSA-N -1 0 349.386 2.884 20 30 EFEDRM O=C([O-])c1cccc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)c1F ZINC001602446734 1096250082 /nfs/dbraw/zinc/25/00/82/1096250082.db2.gz MXJRHPSFVZVDCF-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1coc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC001602551288 1096294157 /nfs/dbraw/zinc/29/41/57/1096294157.db2.gz GLNVHLPAJSODJC-LREOWRDNSA-N -1 0 333.227 2.684 20 30 EFEDRM C=C1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC001602796563 1096371743 /nfs/dbraw/zinc/37/17/43/1096371743.db2.gz WLANAYQBYRVVBN-UHFFFAOYSA-N -1 0 329.125 2.690 20 30 EFEDRM C#C[C@H](CCC)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001602672079 1096344628 /nfs/dbraw/zinc/34/46/28/1096344628.db2.gz ZVEIHJIUSCEFAV-CQSZACIVSA-N -1 0 329.400 2.908 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccccc1 ZINC001602674606 1096346010 /nfs/dbraw/zinc/34/60/10/1096346010.db2.gz TWOMUQDJNSOIQT-RXVVDRJESA-N -1 0 348.402 2.799 20 30 EFEDRM C#C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001602677014 1096346426 /nfs/dbraw/zinc/34/64/26/1096346426.db2.gz OKXRFIQUFBLVOD-GFCCVEGCSA-N -1 0 346.452 2.751 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001602672508 1096346653 /nfs/dbraw/zinc/34/66/53/1096346653.db2.gz DUMQAYNARUHQGS-MRXNPFEDSA-N -1 0 344.317 2.837 20 30 EFEDRM C#C[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)[C@@H]1CCCO1 ZINC001602677748 1096347677 /nfs/dbraw/zinc/34/76/77/1096347677.db2.gz AVPUROQMNCBNJH-WMZOPIPTSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC001602678069 1096347731 /nfs/dbraw/zinc/34/77/31/1096347731.db2.gz HSRPJRPXLLSNMP-BFHYXJOUSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001602679535 1096347963 /nfs/dbraw/zinc/34/79/63/1096347963.db2.gz YEIMKHNOJBRYPS-BFHYXJOUSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001602678177 1096348486 /nfs/dbraw/zinc/34/84/86/1096348486.db2.gz KLLYAZGMVCKVIH-AWEZNQCLSA-N -1 0 349.795 2.691 20 30 EFEDRM C#CC[C@H](NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001602687731 1096350225 /nfs/dbraw/zinc/35/02/25/1096350225.db2.gz UNJMEMDKRSZXLP-SFHVURJKSA-N -1 0 349.386 2.909 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001602692007 1096351001 /nfs/dbraw/zinc/35/10/01/1096351001.db2.gz GYPDLYCNSYVDNH-QGZVFWFLSA-N -1 0 341.338 2.708 20 30 EFEDRM C#CC1(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC001602691169 1096351808 /nfs/dbraw/zinc/35/18/08/1096351808.db2.gz USCJRKPHJQIQSP-UHFFFAOYSA-N -1 0 349.354 2.681 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)C1 ZINC001602700363 1096352611 /nfs/dbraw/zinc/35/26/11/1096352611.db2.gz VZXNMJMOYBUXPB-VXGBXAGGSA-N -1 0 347.440 2.600 20 30 EFEDRM C#CCCN(CCOC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001602710734 1096354721 /nfs/dbraw/zinc/35/47/21/1096354721.db2.gz LMPLCGPKIYYTNP-INIZCTEOSA-N -1 0 346.427 2.520 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001602711295 1096354912 /nfs/dbraw/zinc/35/49/12/1096354912.db2.gz CCCGZMVBQNJHSI-UHFFFAOYSA-N -1 0 329.377 2.778 20 30 EFEDRM C#CCCCCCSc1nc(C(=O)OCC)ccc1-c1nn[nH]n1 ZINC001602711322 1096355025 /nfs/dbraw/zinc/35/50/25/1096355025.db2.gz QHNVJUZVWLUNQV-UHFFFAOYSA-N -1 0 345.428 2.724 20 30 EFEDRM C#CCCC[C@@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602705908 1096355079 /nfs/dbraw/zinc/35/50/79/1096355079.db2.gz HHTXVHUCHLXKSE-ZIAGYGMSSA-N -1 0 326.400 2.781 20 30 EFEDRM C#CCCCCCC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001602702848 1096355266 /nfs/dbraw/zinc/35/52/66/1096355266.db2.gz MJUFPJYWBCOWHO-UHFFFAOYSA-N -1 0 329.396 2.862 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CC1 ZINC001602715307 1096356196 /nfs/dbraw/zinc/35/61/96/1096356196.db2.gz BTCRXSDZWOUTRZ-LLVKDONJSA-N -1 0 346.452 2.607 20 30 EFEDRM C#CCSCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001602734581 1096358361 /nfs/dbraw/zinc/35/83/61/1096358361.db2.gz QXCYXSNYAOWRHE-UHFFFAOYSA-N -1 0 342.214 2.761 20 30 EFEDRM C#CCOc1ccc(COC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001602733984 1096358676 /nfs/dbraw/zinc/35/86/76/1096358676.db2.gz FWBULDIIGJYPST-UHFFFAOYSA-N -1 0 328.364 2.777 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cn1 ZINC001602739971 1096359588 /nfs/dbraw/zinc/35/95/88/1096359588.db2.gz USHUTUHWHSQNNJ-CYBMUJFWSA-N -1 0 341.392 2.503 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001602742042 1096360143 /nfs/dbraw/zinc/36/01/43/1096360143.db2.gz AMXRQUKYJYHQDT-INIZCTEOSA-N -1 0 328.412 2.700 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001602746893 1096361575 /nfs/dbraw/zinc/36/15/75/1096361575.db2.gz JPBUBQFJJJDTJE-YMTOWFKASA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(Br)COC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001602744772 1096361982 /nfs/dbraw/zinc/36/19/82/1096361982.db2.gz MWCQPKPNOKRKFV-SMDDNHRTSA-N -1 0 325.158 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(F)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001602754265 1096363441 /nfs/dbraw/zinc/36/34/41/1096363441.db2.gz BITNETKAEVVMSS-MRVPVSSYSA-N -1 0 335.162 2.864 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001602754877 1096364813 /nfs/dbraw/zinc/36/48/13/1096364813.db2.gz YCVQCKQJZOMGNC-GFCCVEGCSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001602755337 1096365283 /nfs/dbraw/zinc/36/52/83/1096365283.db2.gz PFNCWZBJOXSIKT-CYBMUJFWSA-N -1 0 339.775 2.552 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1scc(Br)c1C)C(=O)[O-] ZINC001602755455 1096365375 /nfs/dbraw/zinc/36/53/75/1096365375.db2.gz ULPHNFDCXRCIQQ-SECBINFHSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602765869 1096366144 /nfs/dbraw/zinc/36/61/44/1096366144.db2.gz MTXZSGJCHSFYNQ-HNNXBMFYSA-N -1 0 326.400 2.822 20 30 EFEDRM C=C(C)CN(CC)C(=O)COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001602762099 1096366363 /nfs/dbraw/zinc/36/63/63/1096366363.db2.gz ROMSEQLRQHLFIK-UHFFFAOYSA-N -1 0 339.775 2.620 20 30 EFEDRM C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602765675 1096366412 /nfs/dbraw/zinc/36/64/12/1096366412.db2.gz GQNIIFQYLMGBSW-QWHCGFSZSA-N -1 0 336.436 2.641 20 30 EFEDRM C=C(CC)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001602772094 1096367438 /nfs/dbraw/zinc/36/74/38/1096367438.db2.gz KHRKUBNDXRYBMM-CQSZACIVSA-N -1 0 326.190 2.831 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602765968 1096366598 /nfs/dbraw/zinc/36/65/98/1096366598.db2.gz QCWBMUWRIHWPGO-GDBMZVCRSA-N -1 0 340.427 2.987 20 30 EFEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602765666 1096366642 /nfs/dbraw/zinc/36/66/42/1096366642.db2.gz GLWCFWOGAAUUPV-KRWDZBQOSA-N -1 0 330.388 2.805 20 30 EFEDRM C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602766197 1096366697 /nfs/dbraw/zinc/36/66/97/1096366697.db2.gz XBCOZDAHRBQLQY-KRWDZBQOSA-N -1 0 345.403 2.509 20 30 EFEDRM C=C(CC(C)C)C(=O)NC(C)(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602770049 1096367364 /nfs/dbraw/zinc/36/73/64/1096367364.db2.gz SGLKJKXNGIKYFS-UHFFFAOYSA-N -1 0 327.432 2.906 20 30 EFEDRM C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602770732 1096367600 /nfs/dbraw/zinc/36/76/00/1096367600.db2.gz ASWUTXNQZRZLQV-TZMCWYRMSA-N -1 0 346.456 2.663 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001602771487 1096367935 /nfs/dbraw/zinc/36/79/35/1096367935.db2.gz WRTURIHWYNPBFX-NUXNZHGMSA-N -1 0 348.447 2.641 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001602776449 1096368608 /nfs/dbraw/zinc/36/86/08/1096368608.db2.gz RDMZZBYXPGQQBR-ZDUSSCGKSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC001602778605 1096368619 /nfs/dbraw/zinc/36/86/19/1096368619.db2.gz RUERVCLZMHQKHS-ZDUSSCGKSA-N -1 0 341.766 2.800 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC001602774632 1096368740 /nfs/dbraw/zinc/36/87/40/1096368740.db2.gz SYEQELXXFRXMHG-UHFFFAOYSA-N -1 0 345.443 2.568 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1cc(Br)ccc1F ZINC001602774760 1096368889 /nfs/dbraw/zinc/36/88/89/1096368889.db2.gz VXCCIRBVZQZTOA-UHFFFAOYSA-N -1 0 344.180 2.968 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC001602777814 1096369345 /nfs/dbraw/zinc/36/93/45/1096369345.db2.gz FHOQPHGGVRXALA-ZDUSSCGKSA-N -1 0 346.408 2.617 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001602776803 1096369896 /nfs/dbraw/zinc/36/98/96/1096369896.db2.gz YZNFLFXSGQVIIO-ZDUSSCGKSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001602782758 1096370286 /nfs/dbraw/zinc/37/02/86/1096370286.db2.gz PKVDZUUIIXTKEI-LBPRGKRZSA-N -1 0 332.183 2.564 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001602786943 1096370320 /nfs/dbraw/zinc/37/03/20/1096370320.db2.gz RGBXAZAEMHIYDE-KHPPLWFESA-N -1 0 325.416 2.989 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001602787426 1096370449 /nfs/dbraw/zinc/37/04/49/1096370449.db2.gz FHLXHNJDLZKMSK-UHFFFAOYSA-N -1 0 344.758 2.757 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1ccc(Br)s1 ZINC001602783147 1096370763 /nfs/dbraw/zinc/37/07/63/1096370763.db2.gz BTNWIAUYDLZWOS-UHFFFAOYSA-N -1 0 332.219 2.590 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC001602785910 1096370855 /nfs/dbraw/zinc/37/08/55/1096370855.db2.gz PJNAYTACRUWXQB-UHFFFAOYSA-N -1 0 327.340 2.937 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC001602785787 1096371029 /nfs/dbraw/zinc/37/10/29/1096371029.db2.gz JLBFBSNMIHBGAN-UHFFFAOYSA-N -1 0 331.347 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC001602787567 1096371040 /nfs/dbraw/zinc/37/10/40/1096371040.db2.gz LECKJHQBZFWSLQ-UHFFFAOYSA-N -1 0 340.792 2.557 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(F)c(Br)cc1F ZINC001602783794 1096371333 /nfs/dbraw/zinc/37/13/33/1096371333.db2.gz JTSFKVKZIYJPDR-UHFFFAOYSA-N -1 0 348.143 2.765 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC001602791893 1096371804 /nfs/dbraw/zinc/37/18/04/1096371804.db2.gz DILASNOOSRXWSF-FLIBITNWSA-N -1 0 335.425 2.809 20 30 EFEDRM C=C[C@@H](C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1)c1ccccc1 ZINC001602801643 1096372187 /nfs/dbraw/zinc/37/21/87/1096372187.db2.gz RVRCQCDFRYWSBV-UZLBHIALSA-N -1 0 343.423 2.565 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001602807853 1096372950 /nfs/dbraw/zinc/37/29/50/1096372950.db2.gz WLIPSLLLXFDQGY-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001602807546 1096373021 /nfs/dbraw/zinc/37/30/21/1096373021.db2.gz PSTZUBNDZSFCEZ-LBPRGKRZSA-N -1 0 332.400 2.532 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001602807866 1096373541 /nfs/dbraw/zinc/37/35/41/1096373541.db2.gz XEBGPRKOHCNEPM-CYBMUJFWSA-N -1 0 346.427 2.607 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001602807893 1096373869 /nfs/dbraw/zinc/37/38/69/1096373869.db2.gz YQNDPEKQVCGVER-UHFFFAOYSA-N -1 0 332.400 2.891 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1)c1ccccc1 ZINC001602802141 1096374021 /nfs/dbraw/zinc/37/40/21/1096374021.db2.gz WYURMFJJYBFHNI-YOEHRIQHSA-N -1 0 341.363 2.613 20 30 EFEDRM C=CC[C@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001602807146 1096374032 /nfs/dbraw/zinc/37/40/32/1096374032.db2.gz IIVSHYAICGVTAG-INIZCTEOSA-N -1 0 335.367 2.637 20 30 EFEDRM C=C[C@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001602804168 1096374439 /nfs/dbraw/zinc/37/44/39/1096374439.db2.gz MPPCKVGONXZNQF-AEFFLSMTSA-N -1 0 339.391 2.722 20 30 EFEDRM C=CC(C)(C)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001602809248 1096374914 /nfs/dbraw/zinc/37/49/14/1096374914.db2.gz CPHCHPCZRDCXSO-UHFFFAOYSA-N -1 0 325.411 2.842 20 30 EFEDRM C=C[C@H](C)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602813382 1096376191 /nfs/dbraw/zinc/37/61/91/1096376191.db2.gz XBXHYUZUPXOUJW-JTQLQIEISA-N -1 0 331.397 2.882 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001602809007 1096376585 /nfs/dbraw/zinc/37/65/85/1096376585.db2.gz ANFLCISNRVULSP-OXJNMPFZSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)[O-] ZINC001602828931 1096378700 /nfs/dbraw/zinc/37/87/00/1096378700.db2.gz SBTUBZFJFJOCFZ-LLVKDONJSA-N -1 0 339.804 2.779 20 30 EFEDRM C=CC[C@@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001602829690 1096379849 /nfs/dbraw/zinc/37/98/49/1096379849.db2.gz UZPCWWVOISIJFU-HUUCEWRRSA-N -1 0 330.409 2.615 20 30 EFEDRM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001602836126 1096381011 /nfs/dbraw/zinc/38/10/11/1096381011.db2.gz GJEVNSKENXVJFX-ZIAGYGMSSA-N -1 0 346.431 2.616 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCc2ccc(Br)c(F)c2C1 ZINC001602836414 1096381620 /nfs/dbraw/zinc/38/16/20/1096381620.db2.gz QREFLGOWWKVHRV-GFCCVEGCSA-N -1 0 328.181 2.976 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001602837478 1096381808 /nfs/dbraw/zinc/38/18/08/1096381808.db2.gz XAZSWVHMXHMZAX-MRXNPFEDSA-N -1 0 342.395 2.523 20 30 EFEDRM C=CC[C@H](OC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001602845712 1096382498 /nfs/dbraw/zinc/38/24/98/1096382498.db2.gz UMRVUCOKAVAIQU-VIFPVBQESA-N -1 0 331.290 2.951 20 30 EFEDRM C=CC[C@@H](Cn1c(C)nnc1N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602842619 1096382947 /nfs/dbraw/zinc/38/29/47/1096382947.db2.gz MLFLSOHYFGJPAI-DLBZAZTESA-N -1 0 340.427 2.857 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001602842760 1096383274 /nfs/dbraw/zinc/38/32/74/1096383274.db2.gz OLRBPZVBGZPCLB-UHFFFAOYSA-N -1 0 330.356 2.759 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccncc1 ZINC001602841939 1096383429 /nfs/dbraw/zinc/38/34/29/1096383429.db2.gz ANROVFCUJFZCJS-ZYHUDNBSSA-N -1 0 346.412 2.914 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCCC1 ZINC001602851690 1096384011 /nfs/dbraw/zinc/38/40/11/1096384011.db2.gz USHPDDQQNYFXER-UHFFFAOYSA-N -1 0 333.793 2.798 20 30 EFEDRM C=CCC1(O)CCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001602851318 1096384257 /nfs/dbraw/zinc/38/42/57/1096384257.db2.gz HFPNRLDMMVHLCJ-UHFFFAOYSA-N -1 0 344.205 2.643 20 30 EFEDRM C=CCC1(C(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CCCC1 ZINC001602849731 1096384630 /nfs/dbraw/zinc/38/46/30/1096384630.db2.gz OCSOAVULQSRPBV-LJQANCHMSA-N -1 0 335.444 2.731 20 30 EFEDRM C=CCC1(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC001602850185 1096385018 /nfs/dbraw/zinc/38/50/18/1096385018.db2.gz UCGANKPRJBLSJL-JKSUJKDBSA-N -1 0 329.396 2.765 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602855654 1096385173 /nfs/dbraw/zinc/38/51/73/1096385173.db2.gz WNOHSZFVMYQGDF-FZMZJTMJSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001602855183 1096385201 /nfs/dbraw/zinc/38/52/01/1096385201.db2.gz JGRYWFQCWQPVFN-RDBSUJKOSA-N -1 0 326.462 2.581 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)C1 ZINC001602854964 1096386010 /nfs/dbraw/zinc/38/60/10/1096386010.db2.gz CQCBYHOXGOGMBG-AWEZNQCLSA-N -1 0 346.427 2.934 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001602855858 1096386704 /nfs/dbraw/zinc/38/67/04/1096386704.db2.gz FVFVJKAMGZVFMO-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001602856762 1096386999 /nfs/dbraw/zinc/38/69/99/1096386999.db2.gz HOSZWYDVCKINIZ-UHFFFAOYSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCC[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)C(=O)OCC ZINC001602857715 1096387380 /nfs/dbraw/zinc/38/73/80/1096387380.db2.gz VYBBFLHEGRIHAQ-HNNXBMFYSA-N -1 0 334.416 2.510 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001602857302 1096388060 /nfs/dbraw/zinc/38/80/60/1096388060.db2.gz PNWPANBBAAWBJL-UHFFFAOYSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001602856719 1096388069 /nfs/dbraw/zinc/38/80/69/1096388069.db2.gz FZACAYKHMLYLJZ-UHFFFAOYSA-N -1 0 332.400 2.747 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC001602866113 1096388862 /nfs/dbraw/zinc/38/88/62/1096388862.db2.gz XIOHKXDSISYFJB-CQSZACIVSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)c2ccccc2oc1=O)C(=O)[O-] ZINC001602865593 1096389006 /nfs/dbraw/zinc/38/90/06/1096389006.db2.gz MTCUMRNUSRQRQG-CYBMUJFWSA-N -1 0 329.352 2.641 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC001602865707 1096389010 /nfs/dbraw/zinc/38/90/10/1096389010.db2.gz PITRXLDDIJZEIX-SJORKVTESA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)cccc1Cl)C(=O)[O-] ZINC001602869107 1096389202 /nfs/dbraw/zinc/38/92/02/1096389202.db2.gz BCVYNPBOHHQBBK-GFCCVEGCSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC001602862896 1096389287 /nfs/dbraw/zinc/38/92/87/1096389287.db2.gz JPZDPSHQNIAVCW-OCCSQVGLSA-N -1 0 337.803 2.817 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602862480 1096389379 /nfs/dbraw/zinc/38/93/79/1096389379.db2.gz FPPGQUIMCYTNII-CXAGYDPISA-N -1 0 331.412 2.868 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(F)c(Br)c1)C(=O)[O-] ZINC001602869312 1096389397 /nfs/dbraw/zinc/38/93/97/1096389397.db2.gz CPXHLGJLRHTKKO-SNVBAGLBSA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001602865702 1096389571 /nfs/dbraw/zinc/38/95/71/1096389571.db2.gz PITRXLDDIJZEIX-DLBZAZTESA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)ccc2cccnc21)C(=O)[O-] ZINC001602873296 1096390113 /nfs/dbraw/zinc/39/01/13/1096390113.db2.gz UWMOGOWGZOCDQL-AWEZNQCLSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001602871392 1096390469 /nfs/dbraw/zinc/39/04/69/1096390469.db2.gz XPAYTMZUOGXEIN-UHFFFAOYSA-N -1 0 338.429 2.898 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001602880078 1096391661 /nfs/dbraw/zinc/39/16/61/1096391661.db2.gz BONKIRBZPVEKPF-UHFFFAOYSA-N -1 0 340.379 2.859 20 30 EFEDRM C=CCCn1cc(CSCc2cccc(C(=O)[O-])c2C#N)nn1 ZINC001602884678 1096391732 /nfs/dbraw/zinc/39/17/32/1096391732.db2.gz NMPQHTSUUUOVBK-UHFFFAOYSA-N -1 0 328.397 2.857 20 30 EFEDRM C=CCCS(=O)(=O)Oc1ccn(Cc2ccccc2)c1C(=O)[O-] ZINC001602880774 1096391868 /nfs/dbraw/zinc/39/18/68/1096391868.db2.gz CFJGQYZCJYEUDX-UHFFFAOYSA-N -1 0 335.381 2.519 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001602884537 1096391918 /nfs/dbraw/zinc/39/19/18/1096391918.db2.gz HPDRLAAZBNCGRI-CQSZACIVSA-N -1 0 325.430 2.583 20 30 EFEDRM C=CCN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](C)COC ZINC001602886881 1096392043 /nfs/dbraw/zinc/39/20/43/1096392043.db2.gz BHKPPOWASUUHOM-VIFPVBQESA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCCn1cc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)nn1 ZINC001602884704 1096392100 /nfs/dbraw/zinc/39/21/00/1096392100.db2.gz PASZPVXAUVYHDA-ZDUSSCGKSA-N -1 0 347.444 2.654 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@](C)(CC)CC(=O)[O-])cc1 ZINC001602881061 1096392343 /nfs/dbraw/zinc/39/23/43/1096392343.db2.gz PTSXOKNQLHRKTO-INIZCTEOSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H](C)COC ZINC001602887311 1096392451 /nfs/dbraw/zinc/39/24/51/1096392451.db2.gz PLYMJLBEKKONLX-NSHDSACASA-N -1 0 331.372 2.921 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccoc1CC(=O)[O-] ZINC001602894053 1096393029 /nfs/dbraw/zinc/39/30/29/1096393029.db2.gz RHVRXZUKBOGNOV-UHFFFAOYSA-N -1 0 329.352 2.744 20 30 EFEDRM C=CCNc1nc(-c2cn([C@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001602904881 1096395211 /nfs/dbraw/zinc/39/52/11/1096395211.db2.gz MATFTTOTEWQREY-QWRGUYRKSA-N -1 0 333.417 2.815 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001602910222 1096396725 /nfs/dbraw/zinc/39/67/25/1096396725.db2.gz QXVQHRJRDUIZNM-UTUOFQBUSA-N -1 0 337.338 2.517 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001602910223 1096397236 /nfs/dbraw/zinc/39/72/36/1096397236.db2.gz QXVQHRJRDUIZNM-WOPDTQHZSA-N -1 0 337.338 2.517 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001602906228 1096398009 /nfs/dbraw/zinc/39/80/09/1096398009.db2.gz BRBGDFVQHXSABQ-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001602921544 1096398907 /nfs/dbraw/zinc/39/89/07/1096398907.db2.gz ACWGBQWRWZBWNE-INIZCTEOSA-N -1 0 344.411 2.648 20 30 EFEDRM C=CCSCCNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001602925234 1096400891 /nfs/dbraw/zinc/40/08/91/1096400891.db2.gz YGFMDMOHLYQECU-UHFFFAOYSA-N -1 0 349.861 2.544 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001602921727 1096401287 /nfs/dbraw/zinc/40/12/87/1096401287.db2.gz OMAWYISQAMTQIL-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CC[S@](=O)(=NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001602924908 1096401305 /nfs/dbraw/zinc/40/13/05/1096401305.db2.gz KNPXJSFZMSEUMJ-XMMPIXPASA-N -1 0 344.392 2.562 20 30 EFEDRM C=CCn1c([C@@H](C)c2ccsc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931506 1096402382 /nfs/dbraw/zinc/40/23/82/1096402382.db2.gz WKQZENFZBPGCHF-MBNYWOFBSA-N -1 0 346.456 2.834 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602932205 1096402462 /nfs/dbraw/zinc/40/24/62/1096402462.db2.gz MCWHAFHOQSSOQO-BLLLJJGKSA-N -1 0 336.461 2.723 20 30 EFEDRM C=CCn1c([C@H](C)C(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602930811 1096402548 /nfs/dbraw/zinc/40/25/48/1096402548.db2.gz FSSUAIPTTROAGF-VHDGCEQUSA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCn1c([C@H]2C[C@@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931942 1096402654 /nfs/dbraw/zinc/40/26/54/1096402654.db2.gz GBTMRGDPFKQHHY-RQJABVFESA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCc1ccc(OCC(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC001602926771 1096402676 /nfs/dbraw/zinc/40/26/76/1096402676.db2.gz MRZLBLQJHQWZOZ-CABCVRRESA-N -1 0 346.379 2.765 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC001602931973 1096402742 /nfs/dbraw/zinc/40/27/42/1096402742.db2.gz GZDIKKQHXBDQRF-SHTZXODSSA-N -1 0 347.411 2.908 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602929858 1096402787 /nfs/dbraw/zinc/40/27/87/1096402787.db2.gz GWDFVHWRAHXSJB-LBPRGKRZSA-N -1 0 332.429 2.802 20 30 EFEDRM C=CCc1cc([C@@H]2C(C(=O)[O-])=C(C)N(C)C(=O)N2C)cc(OC)c1O ZINC001602926703 1096402829 /nfs/dbraw/zinc/40/28/29/1096402829.db2.gz IRGWBUFAYZLALF-OAHLLOKOSA-N -1 0 346.383 2.526 20 30 EFEDRM C=CCc1cc(CNc2ncc(C(=O)[O-])cn2)cc(OC)c1OC ZINC001602926758 1096402992 /nfs/dbraw/zinc/40/29/92/1096402992.db2.gz MEAWXBWFLGESCB-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001602930827 1096403011 /nfs/dbraw/zinc/40/30/11/1096403011.db2.gz FZLFLXJXDGMSTC-HUUCEWRRSA-N -1 0 345.447 2.953 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001602941947 1096403492 /nfs/dbraw/zinc/40/34/92/1096403492.db2.gz PXIPZJGYOGDTCS-KOLCDFICSA-N -1 0 341.157 2.644 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)cc21 ZINC001602939793 1096403524 /nfs/dbraw/zinc/40/35/24/1096403524.db2.gz CMRHPMJZEJIBGY-UHFFFAOYSA-N -1 0 339.355 2.903 20 30 EFEDRM C=CCn1c(S[C@H](CC(C)C)C(=O)[O-])nnc1-c1cnccn1 ZINC001602936679 1096404160 /nfs/dbraw/zinc/40/41/60/1096404160.db2.gz DLPISLGSIMWYGK-GFCCVEGCSA-N -1 0 333.417 2.513 20 30 EFEDRM C/C(=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001602951160 1096405241 /nfs/dbraw/zinc/40/52/41/1096405241.db2.gz GNKCUWVXSHSNQR-FMIVXFBMSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@](C#N)(NC(=O)CNc1cc2ccccc2cc1C(=O)[O-])C1CC1 ZINC001603127287 1096453372 /nfs/dbraw/zinc/45/33/72/1096453372.db2.gz WGMUSIHZUNTANB-LJQANCHMSA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001603131506 1096454305 /nfs/dbraw/zinc/45/43/05/1096454305.db2.gz FKVPXJLLVGIFHN-LBPRGKRZSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001603131661 1096454453 /nfs/dbraw/zinc/45/44/53/1096454453.db2.gz IWRPNGFLTIUVIM-XQQFMLRXSA-N -1 0 331.372 2.742 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001603131932 1096454826 /nfs/dbraw/zinc/45/48/26/1096454826.db2.gz OTAHMZUODUWEBF-SMDDNHRTSA-N -1 0 333.388 2.988 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001603131891 1096455019 /nfs/dbraw/zinc/45/50/19/1096455019.db2.gz NZZDRPQGAKJRKT-AAEUAGOBSA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001603132179 1096455124 /nfs/dbraw/zinc/45/51/24/1096455124.db2.gz TWGHDCUDJJJWLL-GFCCVEGCSA-N -1 0 331.372 2.886 20 30 EFEDRM C[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001603138420 1096456035 /nfs/dbraw/zinc/45/60/35/1096456035.db2.gz OAESBIYBLXYZKF-VIFPVBQESA-N -1 0 329.183 2.924 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001603230668 1096479730 /nfs/dbraw/zinc/47/97/30/1096479730.db2.gz UDTXQRQTGKLJBI-UHFFFAOYSA-N -1 0 335.385 2.548 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(Nc2ncc(C#N)cc2[N+](=O)[O-])cc1 ZINC001603271224 1096490758 /nfs/dbraw/zinc/49/07/58/1096490758.db2.gz JHFMLJYWNUKYKS-UHFFFAOYSA-N -1 0 326.312 2.967 20 30 EFEDRM CC(C)(CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC(=O)[O-] ZINC001603630207 1096571363 /nfs/dbraw/zinc/57/13/63/1096571363.db2.gz HIYXHZOOMSRCHJ-HNNXBMFYSA-N -1 0 329.400 2.736 20 30 EFEDRM CC(C)(CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)Cc1ccccc1 ZINC001603627416 1096571992 /nfs/dbraw/zinc/57/19/92/1096571992.db2.gz OUCGCAGPOLMXSV-UHFFFAOYSA-N -1 0 343.427 2.655 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001603661479 1096582927 /nfs/dbraw/zinc/58/29/27/1096582927.db2.gz SPETWTVHIRRANJ-UHFFFAOYSA-N -1 0 338.367 2.794 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001603693334 1096591158 /nfs/dbraw/zinc/59/11/58/1096591158.db2.gz MTYIJZIMBPIRQT-UHFFFAOYSA-N -1 0 340.335 2.552 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-] ZINC001603769493 1096621391 /nfs/dbraw/zinc/62/13/91/1096621391.db2.gz BPJPEJYIZSDMHU-CYBMUJFWSA-N -1 0 334.391 2.838 20 30 EFEDRM CC(C)Cn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001603857908 1096645241 /nfs/dbraw/zinc/64/52/41/1096645241.db2.gz IIWURUKDTGNSLZ-ZIAGYGMSSA-N -1 0 347.463 2.672 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2ccc(C#N)nc2)cccc1C(=O)[O-] ZINC001603933905 1096672070 /nfs/dbraw/zinc/67/20/70/1096672070.db2.gz RDOTZFYDDQZPCK-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)c1sc(NC(=O)[C@H](O)c2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001604030069 1096704479 /nfs/dbraw/zinc/70/44/79/1096704479.db2.gz WBDWRJJOGHLEMI-GFCCVEGCSA-N -1 0 345.380 2.508 20 30 EFEDRM C[C@H](CC#N)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604060476 1096714757 /nfs/dbraw/zinc/71/47/57/1096714757.db2.gz MRQREWXKDBBQDQ-CLAHSXSESA-N -1 0 329.183 2.959 20 30 EFEDRM C[C@@H](CC#N)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604060477 1096714779 /nfs/dbraw/zinc/71/47/79/1096714779.db2.gz MRQREWXKDBBQDQ-RMLUDKJBSA-N -1 0 329.183 2.959 20 30 EFEDRM C[C@H](CC#N)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604061512 1096715042 /nfs/dbraw/zinc/71/50/42/1096715042.db2.gz UDUBHICVYFNNOO-KCJUWKMLSA-N -1 0 329.278 2.590 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@]1(C#N)CC2CCC1CC2)c1ccccn1 ZINC001604077190 1096721599 /nfs/dbraw/zinc/72/15/99/1096721599.db2.gz BITVCICHXNAELS-BDHCGPDFSA-N -1 0 341.411 2.608 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 ZINC001604076441 1096722547 /nfs/dbraw/zinc/72/25/47/1096722547.db2.gz BYAFWIBKXLXKGX-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001604106440 1096739314 /nfs/dbraw/zinc/73/93/14/1096739314.db2.gz YMNASNPVNXTTRX-SKDRFNHKSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](C[C@H](C)Nc1ccc(C(=O)[O-])nc1C#N)NC(=O)OC(C)(C)C ZINC001604124987 1096745115 /nfs/dbraw/zinc/74/51/15/1096745115.db2.gz HRAKATDTUUUAKO-QWRGUYRKSA-N -1 0 348.403 2.755 20 30 EFEDRM C[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1nc(-c2ccccc2)no1 ZINC001604191517 1096768507 /nfs/dbraw/zinc/76/85/07/1096768507.db2.gz XHCXFYDEUPGMJJ-LLVKDONJSA-N -1 0 349.350 2.917 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001604217842 1096775823 /nfs/dbraw/zinc/77/58/23/1096775823.db2.gz QSPNTQVIYUYVQE-AWEZNQCLSA-N -1 0 336.391 2.680 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001604217075 1096776235 /nfs/dbraw/zinc/77/62/35/1096776235.db2.gz FGLLMSJLHSBOOH-CQSZACIVSA-N -1 0 336.391 2.794 20 30 EFEDRM CC(Cn1cccn1)N=Nc1cc(C(=O)[O-])ccc1Br ZINC001604247419 1096784936 /nfs/dbraw/zinc/78/49/36/1096784936.db2.gz QJDFFUFFEZUCKR-UHFFFAOYSA-N -1 0 337.177 2.832 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001604300865 1096799839 /nfs/dbraw/zinc/79/98/39/1096799839.db2.gz LHIDCLDUYZQVCR-GFCCVEGCSA-N -1 0 339.351 2.904 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604310271 1096801992 /nfs/dbraw/zinc/80/19/92/1096801992.db2.gz FHAKKROFOJEXGZ-WBMJQRKESA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@H](NC(=O)c1sccc1CC#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604320306 1096806158 /nfs/dbraw/zinc/80/61/58/1096806158.db2.gz XKHOQAPPIGNSJS-NSHDSACASA-N -1 0 344.392 2.769 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[nH]n2)o1 ZINC001604388407 1096833749 /nfs/dbraw/zinc/83/37/49/1096833749.db2.gz WXRISFQVDVJMTM-CLFYSBASSA-N -1 0 338.323 2.533 20 30 EFEDRM CCO[C@@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1 ZINC001604411709 1096845003 /nfs/dbraw/zinc/84/50/03/1096845003.db2.gz DFQLJEVOGLNLGS-LLVKDONJSA-N -1 0 333.396 2.725 20 30 EFEDRM C[C@@H](ON=C(N)COc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001604425780 1096848377 /nfs/dbraw/zinc/84/83/77/1096848377.db2.gz SGBDNENJQWRCQZ-GFCCVEGCSA-N -1 0 339.351 2.895 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001604426375 1096848415 /nfs/dbraw/zinc/84/84/15/1096848415.db2.gz DOWXIPYLDIYPFA-MLGOLLRUSA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001604426376 1096849076 /nfs/dbraw/zinc/84/90/76/1096849076.db2.gz DOWXIPYLDIYPFA-WBMJQRKESA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604427611 1096850571 /nfs/dbraw/zinc/85/05/71/1096850571.db2.gz PNXZLJHPWDPKII-CXAGYDPISA-N -1 0 339.347 2.565 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001604461031 1096866299 /nfs/dbraw/zinc/86/62/99/1096866299.db2.gz FWGUKGSUEQJDHO-ZDUSSCGKSA-N -1 0 325.368 2.733 20 30 EFEDRM C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001604468642 1096870769 /nfs/dbraw/zinc/87/07/69/1096870769.db2.gz RVFCDCOTGLFVMR-LBPRGKRZSA-N -1 0 344.392 2.638 20 30 EFEDRM C[C@@]1(C#N)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC001604484187 1096877979 /nfs/dbraw/zinc/87/79/79/1096877979.db2.gz CFELIVSKWVXATP-TZMCWYRMSA-N -1 0 329.183 2.734 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2[nH]c3ccccc3c2C#N)c1C ZINC000585129170 1096902274 /nfs/dbraw/zinc/90/22/74/1096902274.db2.gz ABCXZFWXLKERPG-UHFFFAOYSA-N -1 0 343.412 2.674 20 30 EFEDRM C[C@@H]1CCCc2ncc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)n21 ZINC001604740300 1096944787 /nfs/dbraw/zinc/94/47/87/1096944787.db2.gz ONUJMOAOZUEGLX-BZNIZROVSA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@H]1C ZINC001604767326 1096951855 /nfs/dbraw/zinc/95/18/55/1096951855.db2.gz SXLGHEXCWBKYBL-XPXLGCRWSA-N -1 0 348.424 2.876 20 30 EFEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC001604787215 1096954977 /nfs/dbraw/zinc/95/49/77/1096954977.db2.gz XVEIPLHHJPXDSC-LERXQTSPSA-N -1 0 342.317 2.726 20 30 EFEDRM C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)sc2[C@H](C)C1 ZINC001604825907 1096966076 /nfs/dbraw/zinc/96/60/76/1096966076.db2.gz VLHKCGREAPQIAI-RQSQLSILSA-N -1 0 348.424 2.876 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc(C#N)cc1 ZINC001604887832 1096975915 /nfs/dbraw/zinc/97/59/15/1096975915.db2.gz KPIRRYCHYIXCQW-IBGZPJMESA-N -1 0 328.412 2.983 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001604986551 1096994011 /nfs/dbraw/zinc/99/40/11/1096994011.db2.gz URJZLNLHGQNJOJ-UHFFFAOYSA-N -1 0 343.379 2.593 20 30 EFEDRM CCC(CC)CN(CCC#N)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001605013351 1097000944 /nfs/dbraw/zinc/00/09/44/1097000944.db2.gz VEQVHGBTHDJEHE-UHFFFAOYSA-N -1 0 331.416 2.975 20 30 EFEDRM CO[C@@]1(C)CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001605017258 1097001793 /nfs/dbraw/zinc/00/17/93/1097001793.db2.gz QSMNKTIKQIBAPB-HNNXBMFYSA-N -1 0 333.396 2.581 20 30 EFEDRM COC1(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCCCC1 ZINC001605016566 1097001908 /nfs/dbraw/zinc/00/19/08/1097001908.db2.gz XBHITMZYNDGIMB-UHFFFAOYSA-N -1 0 333.396 2.725 20 30 EFEDRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605060913 1097012329 /nfs/dbraw/zinc/01/23/29/1097012329.db2.gz BLRGRFBNCGPYIH-HNNXBMFYSA-N -1 0 328.412 2.781 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)c(Cl)n1)(C(=O)[O-])c1ccccc1 ZINC001605084202 1097018624 /nfs/dbraw/zinc/01/86/24/1097018624.db2.gz PNIZJIYPXPCZNH-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001605193101 1097049059 /nfs/dbraw/zinc/04/90/59/1097049059.db2.gz RSKSCWVBWYFDFE-UHFFFAOYSA-N -1 0 342.392 2.665 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001605267161 1097074568 /nfs/dbraw/zinc/07/45/68/1097074568.db2.gz RJUVHPCSYPERMR-KBPBESRZSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)c1snc(C)c1C#N ZINC001605299603 1097087239 /nfs/dbraw/zinc/08/72/39/1097087239.db2.gz HROGCFIWQIRVCB-UHFFFAOYSA-N -1 0 333.369 2.980 20 30 EFEDRM CCCc1c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)[nH]c(C)c1C(=O)[O-] ZINC001605366753 1097105859 /nfs/dbraw/zinc/10/58/59/1097105859.db2.gz XWEBGRSNCHTFQC-UHFFFAOYSA-N -1 0 341.371 2.698 20 30 EFEDRM CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001605384311 1097112596 /nfs/dbraw/zinc/11/25/96/1097112596.db2.gz OJDYYZKMCAADRF-OAHLLOKOSA-N -1 0 339.399 2.528 20 30 EFEDRM CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)C(C)(C)C(=O)[O-] ZINC001605396508 1097116894 /nfs/dbraw/zinc/11/68/94/1097116894.db2.gz UXWORDRCRBJCAZ-UHFFFAOYSA-N -1 0 349.456 2.682 20 30 EFEDRM CCN(C(=O)c1cc(C(=O)[O-])ccn1)c1ccc(C#N)c(Cl)c1 ZINC001605399745 1097117687 /nfs/dbraw/zinc/11/76/87/1097117687.db2.gz QGIAXFLABDDEAN-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1n1cccn1 ZINC001605648165 1097179063 /nfs/dbraw/zinc/17/90/63/1097179063.db2.gz PIGVUVJDPNIHMV-HUUCEWRRSA-N -1 0 332.335 2.538 20 30 EFEDRM Cc1cc(C=CC(=O)c2csc(C(=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605652169 1097180637 /nfs/dbraw/zinc/18/06/37/1097180637.db2.gz FDJANWOYQWHTQS-HYXAFXHYSA-N -1 0 340.364 2.831 20 30 EFEDRM CCOc1cc(C#N)ccc1OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001605656978 1097181574 /nfs/dbraw/zinc/18/15/74/1097181574.db2.gz JHCYGFBNTHNALR-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM CCOc1ccc(C=NO[C@H](C)c2nc(C(=O)[O-])co2)cc1OC ZINC001605685613 1097195252 /nfs/dbraw/zinc/19/52/52/1097195252.db2.gz ULNAMQQPADDTKI-SNVBAGLBSA-N -1 0 334.328 2.892 20 30 EFEDRM CCOc1ccc(NC(=S)NN=Cc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001605696583 1097197191 /nfs/dbraw/zinc/19/71/91/1097197191.db2.gz DRKMBWSRZPAFLQ-UHFFFAOYSA-N -1 0 346.412 2.741 20 30 EFEDRM CCc1ccc(N2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)cc1 ZINC001605816502 1097236238 /nfs/dbraw/zinc/23/62/38/1097236238.db2.gz QFTTYZIFVQCITD-UHFFFAOYSA-N -1 0 336.395 2.540 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)c(Cl)c1 ZINC001605823478 1097238782 /nfs/dbraw/zinc/23/87/82/1097238782.db2.gz IIUNDPBBPUKCFN-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001605897537 1097269510 /nfs/dbraw/zinc/26/95/10/1097269510.db2.gz MGVVXBAWUKOXFC-SFHVURJKSA-N -1 0 339.399 2.528 20 30 EFEDRM CCn1c(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001605910786 1097272768 /nfs/dbraw/zinc/27/27/68/1097272768.db2.gz BPCDEAOOIPDVLH-UGSOOPFHSA-N -1 0 345.447 2.570 20 30 EFEDRM CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(C#N)c(Cl)c1 ZINC001605977485 1097290398 /nfs/dbraw/zinc/29/03/98/1097290398.db2.gz MXAYHESULKNWRX-GXTWGEPZSA-N -1 0 336.775 2.587 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2-c2nn[nH]n2)n1 ZINC001606001406 1097294911 /nfs/dbraw/zinc/29/49/11/1097294911.db2.gz QOAVAASMYTUNBP-KTRBRXNASA-N -1 0 336.380 2.521 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001606019964 1097300297 /nfs/dbraw/zinc/30/02/97/1097300297.db2.gz PHYVIFGGSYZRER-BDAKNGLRSA-N -1 0 343.313 2.930 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ncc(C#N)cc1Cl ZINC001606053159 1097307944 /nfs/dbraw/zinc/30/79/44/1097307944.db2.gz NFBWUIAFSCBAGI-UHFFFAOYSA-N -1 0 344.758 2.623 20 30 EFEDRM CN(CCCOc1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001606126166 1097324159 /nfs/dbraw/zinc/32/41/59/1097324159.db2.gz NDCBSNLFOUZECC-UHFFFAOYSA-N -1 0 340.379 2.927 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)c1ccsc1CC(=O)[O-] ZINC001606139886 1097327217 /nfs/dbraw/zinc/32/72/17/1097327217.db2.gz SAPNBUPWLWHKRP-UHFFFAOYSA-N -1 0 328.393 2.562 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001606148937 1097328684 /nfs/dbraw/zinc/32/86/84/1097328684.db2.gz WXPFWGRLODYXKC-UHFFFAOYSA-N -1 0 329.381 2.660 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001606151084 1097330001 /nfs/dbraw/zinc/33/00/01/1097330001.db2.gz VRMYXHWZMUJMDV-GOSISDBHSA-N -1 0 347.374 2.597 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)Cc1ccc(C#N)cc1OC(F)F ZINC001606155328 1097331624 /nfs/dbraw/zinc/33/16/24/1097331624.db2.gz HOAUQFZIRRTSKF-UHFFFAOYSA-N -1 0 347.321 2.885 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC001606163323 1097333801 /nfs/dbraw/zinc/33/38/01/1097333801.db2.gz ZQXAGANXAKGDDB-UHFFFAOYSA-N -1 0 341.323 2.566 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001606166152 1097334410 /nfs/dbraw/zinc/33/44/10/1097334410.db2.gz PEABVKQGUFKZBG-UHFFFAOYSA-N -1 0 347.374 2.939 20 30 EFEDRM CN(Cc1ccnc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001606173501 1097337775 /nfs/dbraw/zinc/33/77/75/1097337775.db2.gz QYTXTFFGKMPLBX-OAHLLOKOSA-N -1 0 335.285 2.628 20 30 EFEDRM CC#Cc1cncc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167938260 1097377127 /nfs/dbraw/zinc/37/71/27/1097377127.db2.gz HRGHNLNABZGRLL-UHFFFAOYSA-N -1 0 328.308 2.538 20 30 EFEDRM COC(=O)c1cc(CSc2ccc(C#N)cn2)cc(C(=O)[O-])c1 ZINC001606545310 1097417585 /nfs/dbraw/zinc/41/75/85/1097417585.db2.gz ZOPSAOHZXKASEW-UHFFFAOYSA-N -1 0 328.349 2.730 20 30 EFEDRM COC(=O)c1cccc([C@H](Sc2cccnc2C#N)C(=O)[O-])c1 ZINC001606611872 1097429170 /nfs/dbraw/zinc/42/91/70/1097429170.db2.gz SSTHAQIMQZRGMS-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])c1C ZINC001606618250 1097430961 /nfs/dbraw/zinc/43/09/61/1097430961.db2.gz POOSXJXFGOKUAG-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM CO[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001606651935 1097435974 /nfs/dbraw/zinc/43/59/74/1097435974.db2.gz MPGCKCHKGBEBQR-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM COCCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(C#N)cc1 ZINC001606877504 1097465081 /nfs/dbraw/zinc/46/50/81/1097465081.db2.gz NOJZHSISKKZOSP-SREVYHEPSA-N -1 0 340.335 2.542 20 30 EFEDRM COCCOc1cc(C)ccc1CNc1ccc(C(=O)[O-])nc1C#N ZINC001606912333 1097471854 /nfs/dbraw/zinc/47/18/54/1097471854.db2.gz XRJXBECKFNBMDC-UHFFFAOYSA-N -1 0 341.367 2.597 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccsc2C(=O)[O-])c1C ZINC001606933137 1097476171 /nfs/dbraw/zinc/47/61/71/1097476171.db2.gz NZABANFJSMEODU-PLNGDYQASA-N -1 0 334.397 2.802 20 30 EFEDRM CON(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@H](C)CC(=O)[O-] ZINC001606984030 1097489395 /nfs/dbraw/zinc/48/93/95/1097489395.db2.gz BMWORTHOAJEXDL-CYBMUJFWSA-N -1 0 330.384 2.623 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001607065546 1097503975 /nfs/dbraw/zinc/50/39/75/1097503975.db2.gz SEVWVCARHAMIMQ-YCPHGPKFSA-N -1 0 342.395 2.672 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001607065555 1097504549 /nfs/dbraw/zinc/50/45/49/1097504549.db2.gz SRTZFYHFDRDADP-HNNXBMFYSA-N -1 0 330.384 2.720 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001607065543 1097504638 /nfs/dbraw/zinc/50/46/38/1097504638.db2.gz SEVWVCARHAMIMQ-DZKIICNBSA-N -1 0 342.395 2.672 20 30 EFEDRM COc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC001607073362 1097505874 /nfs/dbraw/zinc/50/58/74/1097505874.db2.gz DUTVYZNHETYLBF-SJCJKPOMSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001607122233 1097523595 /nfs/dbraw/zinc/52/35/95/1097523595.db2.gz HWBOCZBLPUWOGW-OAHLLOKOSA-N -1 0 349.346 2.586 20 30 EFEDRM COc1cc(CNC(=O)c2c[nH]c3cccc(C#N)c23)ccc1C(=O)[O-] ZINC001607162149 1097547612 /nfs/dbraw/zinc/54/76/12/1097547612.db2.gz MBUSSTWGFXUVGH-UHFFFAOYSA-N -1 0 349.346 2.676 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1C#N ZINC001607161973 1097547753 /nfs/dbraw/zinc/54/77/53/1097547753.db2.gz DLVLWZKVJPUTDJ-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(NC(=O)c2cccc(CC(=O)[O-])c2)c(F)cc1C#N ZINC001607179468 1097552978 /nfs/dbraw/zinc/55/29/78/1097552978.db2.gz PWWHGOBUSZOKAY-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1cc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)ccc1C(=O)[O-] ZINC001607179499 1097553085 /nfs/dbraw/zinc/55/30/85/1097553085.db2.gz RQLXIJTVSREYBZ-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM COc1ccc([C@H](NCc2cc(C#N)cs2)C(=O)[O-])c(OC)c1 ZINC001607235412 1097569417 /nfs/dbraw/zinc/56/94/17/1097569417.db2.gz VEVAADSUXBWSPN-HNNXBMFYSA-N -1 0 332.381 2.552 20 30 EFEDRM COc1ccc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1C(=O)[O-] ZINC001607258334 1097577054 /nfs/dbraw/zinc/57/70/54/1097577054.db2.gz KZFAMXIXANWIRK-UHFFFAOYSA-N -1 0 349.346 2.676 20 30 EFEDRM COc1ccc2cc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)sc2c1 ZINC001607299604 1097589809 /nfs/dbraw/zinc/58/98/09/1097589809.db2.gz HFATWVZRIMVHBD-UHFFFAOYSA-N -1 0 344.392 2.740 20 30 EFEDRM CSC1([C@@H](C#N)N(C)C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001607389896 1097616822 /nfs/dbraw/zinc/61/68/22/1097616822.db2.gz LQJBNDKYXNNFQA-CQSZACIVSA-N -1 0 332.425 2.564 20 30 EFEDRM CSc1c(F)cccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607403062 1097620250 /nfs/dbraw/zinc/62/02/50/1097620250.db2.gz ZRKPPZBDRTWYEX-UHFFFAOYSA-N -1 0 337.376 2.770 20 30 EFEDRM CSc1ccc(CNC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1C#N ZINC001607408727 1097621999 /nfs/dbraw/zinc/62/19/99/1097621999.db2.gz SFPXCILJHKJASP-BXUZGUMPSA-N -1 0 347.440 2.532 20 30 EFEDRM CSc1nn(-c2ccccc2)c(NC(=O)CCCC(=O)[O-])c1C#N ZINC001607415572 1097624486 /nfs/dbraw/zinc/62/44/86/1097624486.db2.gz RKCQWAUCHIORSU-UHFFFAOYSA-N -1 0 344.396 2.659 20 30 EFEDRM C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1CC(=O)[O-] ZINC001607439228 1097628724 /nfs/dbraw/zinc/62/87/24/1097628724.db2.gz YOZGDWQQIBGUOF-ZYHUDNBSSA-N -1 0 340.339 2.562 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001607452489 1097630948 /nfs/dbraw/zinc/63/09/48/1097630948.db2.gz GPIBYSAQHLFCMY-SNVBAGLBSA-N -1 0 344.396 2.590 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001607447816 1097631089 /nfs/dbraw/zinc/63/10/89/1097631089.db2.gz VEEOAIJINZKUMP-IBGZPJMESA-N -1 0 339.395 2.677 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001607452681 1097631908 /nfs/dbraw/zinc/63/19/08/1097631908.db2.gz QQROHVVKCDAUFF-LLVKDONJSA-N -1 0 340.339 2.730 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001607483258 1097637966 /nfs/dbraw/zinc/63/79/66/1097637966.db2.gz GKPDOPOXVLNTHL-UHFFFAOYSA-N -1 0 339.351 2.545 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001607484994 1097638968 /nfs/dbraw/zinc/63/89/68/1097638968.db2.gz QEBJMWOQADKTJU-CQSZACIVSA-N -1 0 337.379 2.743 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)N(C)Cc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001607486121 1097639001 /nfs/dbraw/zinc/63/90/01/1097639001.db2.gz ZLFVFTUJTGBNMO-CYBMUJFWSA-N -1 0 339.395 2.905 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC001607496212 1097643010 /nfs/dbraw/zinc/64/30/10/1097643010.db2.gz WANQCXWBMIXDQQ-LBPRGKRZSA-N -1 0 325.368 2.769 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001607504250 1097644915 /nfs/dbraw/zinc/64/49/15/1097644915.db2.gz IAQVEAUVPLGDHP-SNVBAGLBSA-N -1 0 341.392 2.765 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cccc(C#N)c2C)n1C ZINC001607504624 1097644919 /nfs/dbraw/zinc/64/49/19/1097644919.db2.gz QIFCGELJSMCOOC-UHFFFAOYSA-N -1 0 326.356 2.534 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001607504783 1097645230 /nfs/dbraw/zinc/64/52/30/1097645230.db2.gz VBJRJIUNWHHSAT-UHFFFAOYSA-N -1 0 327.365 2.831 20 30 EFEDRM Cc1c(NN=C2CCCc3c(C#N)c(=O)[nH]cc32)cccc1C(=O)[O-] ZINC001607550026 1097659421 /nfs/dbraw/zinc/65/94/21/1097659421.db2.gz AXUNTYMPKJXOJX-UHFFFAOYSA-N -1 0 336.351 2.818 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001607564641 1097661652 /nfs/dbraw/zinc/66/16/52/1097661652.db2.gz OPZAONPRMRTSRF-RYRKJORJSA-N -1 0 340.423 2.819 20 30 EFEDRM Cc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ccc(F)cc2n1 ZINC001607571048 1097663513 /nfs/dbraw/zinc/66/35/13/1097663513.db2.gz VKURIRYVJDZMOT-UHFFFAOYSA-N -1 0 341.342 2.513 20 30 EFEDRM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC001607581278 1097666118 /nfs/dbraw/zinc/66/61/18/1097666118.db2.gz JLGBFYZQFXDCAO-GASCZTMLSA-N -1 0 337.379 2.559 20 30 EFEDRM Cc1cc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)ncc1C#N ZINC001607608165 1097674231 /nfs/dbraw/zinc/67/42/31/1097674231.db2.gz ZCFJYTGOFYAZQJ-UHFFFAOYSA-N -1 0 332.262 2.595 20 30 EFEDRM Cc1cc([C@H](NC(=O)CCc2ccc(C#N)cc2)C(=O)[O-])ccc1F ZINC001607610691 1097675940 /nfs/dbraw/zinc/67/59/40/1097675940.db2.gz IZPQPRVJUGXQAX-SFHVURJKSA-N -1 0 340.354 2.881 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001607614242 1097677826 /nfs/dbraw/zinc/67/78/26/1097677826.db2.gz FKLLMZLTOULGBS-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)c(NC(=O)CNc2ccc(C(=O)[O-])nc2C#N)c(C)c1 ZINC001607620850 1097679593 /nfs/dbraw/zinc/67/95/93/1097679593.db2.gz LRCZOOXBLMXNBD-UHFFFAOYSA-N -1 0 338.367 2.627 20 30 EFEDRM Cc1c(/C=C2\COc3cc(C)cc(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001607622684 1097680477 /nfs/dbraw/zinc/68/04/77/1097680477.db2.gz QKGHVFNMOIBTJM-KPKJPENVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1cc(COC(=O)C2(c3ccc(C#N)cc3)CC2)oc1C(=O)[O-] ZINC001607652201 1097690639 /nfs/dbraw/zinc/69/06/39/1097690639.db2.gz HQNWRXYYIJAREP-UHFFFAOYSA-N -1 0 325.320 2.933 20 30 EFEDRM Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607676572 1097696341 /nfs/dbraw/zinc/69/63/41/1097696341.db2.gz FTKHWPXBNQDZND-CHWSQXEVSA-N -1 0 329.400 2.762 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC001607692911 1097701211 /nfs/dbraw/zinc/70/12/11/1097701211.db2.gz SDMNRSYHDPMIQA-UHFFFAOYSA-N -1 0 327.340 2.785 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C#N)cc1F ZINC001607701842 1097703274 /nfs/dbraw/zinc/70/32/74/1097703274.db2.gz BMKSZETYFMWROA-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)C1(C(=O)[O-])CC1 ZINC001607702299 1097704529 /nfs/dbraw/zinc/70/45/29/1097704529.db2.gz IIZUWYRBTPMKCL-UHFFFAOYSA-N -1 0 337.335 2.857 20 30 EFEDRM Cc1cc2occ(CC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2cc1C ZINC001607715123 1097706821 /nfs/dbraw/zinc/70/68/21/1097706821.db2.gz ZDRWSFSBWQZAGQ-UHFFFAOYSA-N -1 0 340.379 2.809 20 30 EFEDRM Cc1oc(CNC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001607725443 1097710273 /nfs/dbraw/zinc/71/02/73/1097710273.db2.gz ZLUFCWWBYJAOKV-FPLPWBNLSA-N -1 0 327.336 2.650 20 30 EFEDRM Cc1ccc(Br)cc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001607724322 1097710379 /nfs/dbraw/zinc/71/03/79/1097710379.db2.gz SZMGWGFFWMJMTP-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1C(=O)[O-] ZINC001607727078 1097710961 /nfs/dbraw/zinc/71/09/61/1097710961.db2.gz FEXKYDQIOYIWQK-FQEVSTJZSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CC(C)(C)C#N ZINC001607740474 1097716228 /nfs/dbraw/zinc/71/62/28/1097716228.db2.gz MVLWBMJHJZEYIL-NSHDSACASA-N -1 0 332.356 2.503 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC(C)(C)[C@@H]1C#N ZINC001607741496 1097716966 /nfs/dbraw/zinc/71/69/66/1097716966.db2.gz KICNYOQZIJLOCB-HNNXBMFYSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc(C[C@@H](Sc2nccc(C#N)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001607776487 1097729729 /nfs/dbraw/zinc/72/97/29/1097729729.db2.gz XQFUZTWJWJRRFP-CYBMUJFWSA-N -1 0 343.364 2.958 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1C#N ZINC001607782878 1097730911 /nfs/dbraw/zinc/73/09/11/1097730911.db2.gz PGFNHXVSYUOCCU-UHFFFAOYSA-N -1 0 349.390 2.833 20 30 EFEDRM Cc1cc(CON=CC(=O)Nc2cc(F)ccc2C)oc1C(=O)[O-] ZINC001607790398 1097734938 /nfs/dbraw/zinc/73/49/38/1097734938.db2.gz LDTJNUJLMKHJOY-UHFFFAOYSA-N -1 0 334.303 2.875 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2csc(C#N)c2)C(=O)[O-])c1 ZINC001607849847 1097753270 /nfs/dbraw/zinc/75/32/70/1097753270.db2.gz NSFLYWDWQCQWPJ-CYBMUJFWSA-N -1 0 328.393 2.602 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)Nc2sccc2C#N)C(=O)[O-])c1 ZINC001607849666 1097753380 /nfs/dbraw/zinc/75/33/80/1097753380.db2.gz KZNLHANJOJCIAH-AWEZNQCLSA-N -1 0 343.408 2.993 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C(=O)[O-])n(C)c3)S2)c1 ZINC001607857069 1097755960 /nfs/dbraw/zinc/75/59/60/1097755960.db2.gz LUKCOHFBLGLABM-ZSOIEALJSA-N -1 0 341.392 2.923 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C\c3cc(C(=O)[O-])n(C)c3)S2)c1 ZINC001607857068 1097756147 /nfs/dbraw/zinc/75/61/47/1097756147.db2.gz LUKCOHFBLGLABM-RIYZIHGNSA-N -1 0 341.392 2.923 20 30 EFEDRM Cc1ccccc1N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001607885859 1097766769 /nfs/dbraw/zinc/76/67/69/1097766769.db2.gz MAZDFUUSAMTSKV-UHFFFAOYSA-N -1 0 335.407 2.887 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)C#N ZINC001607885892 1097767844 /nfs/dbraw/zinc/76/78/44/1097767844.db2.gz OBQSPRRWFXQTBK-UHFFFAOYSA-N -1 0 338.429 2.546 20 30 EFEDRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607935597 1097781970 /nfs/dbraw/zinc/78/19/70/1097781970.db2.gz MMLCMQLKLFBWFT-BMLIUANNSA-N -1 0 341.367 2.761 20 30 EFEDRM Cc1nc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1C#N ZINC001607946018 1097784708 /nfs/dbraw/zinc/78/47/08/1097784708.db2.gz PJUSJJNHVZWBKN-INIZCTEOSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1nc(CC2CC2)oc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607953992 1097787662 /nfs/dbraw/zinc/78/76/62/1097787662.db2.gz BFUJKWBQCFUXTG-INIZCTEOSA-N -1 0 340.335 2.790 20 30 EFEDRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3ccnc(C#N)c3)c12 ZINC001607966329 1097790682 /nfs/dbraw/zinc/79/06/82/1097790682.db2.gz UUDRJXSXHNLWQC-UHFFFAOYSA-N -1 0 339.380 2.885 20 30 EFEDRM Cc1ncsc1CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607994102 1097799341 /nfs/dbraw/zinc/79/93/41/1097799341.db2.gz KJWAHNNLVZPVLO-HNNXBMFYSA-N -1 0 330.365 2.625 20 30 EFEDRM Cc1ncsc1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607994104 1097799730 /nfs/dbraw/zinc/79/97/30/1097799730.db2.gz KJWAHNNLVZPVLO-OAHLLOKOSA-N -1 0 330.365 2.625 20 30 EFEDRM Cc1nn2c(C=NNc3ccc(C)c(C(=O)[O-])c3)c(C)nc2s1 ZINC001608010331 1097803317 /nfs/dbraw/zinc/80/33/17/1097803317.db2.gz YVBCHBHQYMYXMC-UHFFFAOYSA-N -1 0 329.385 2.860 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001608031863 1097810054 /nfs/dbraw/zinc/81/00/54/1097810054.db2.gz RIEQWQRQTQDQIF-XJKSGUPXSA-N -1 0 330.384 2.955 20 30 EFEDRM Cc1oc(CN(C)C(=O)CSc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001608044179 1097814552 /nfs/dbraw/zinc/81/45/52/1097814552.db2.gz ITVMNWRKVPKFHT-UHFFFAOYSA-N -1 0 344.392 2.909 20 30 EFEDRM Cc1oc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608046177 1097815070 /nfs/dbraw/zinc/81/50/70/1097815070.db2.gz QXAJRDPLGSFMMP-NSHDSACASA-N -1 0 341.367 2.617 20 30 EFEDRM Cc1oc(COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001608051013 1097817536 /nfs/dbraw/zinc/81/75/36/1097817536.db2.gz BUBRQNRKXWFTMQ-UHFFFAOYSA-N -1 0 325.320 2.933 20 30 EFEDRM Cc1oc(CON=CC(=O)Nc2ccc(F)cc2F)cc1C(=O)[O-] ZINC001608052311 1097818056 /nfs/dbraw/zinc/81/80/56/1097818056.db2.gz LWRMUGMGEGWNMF-UHFFFAOYSA-N -1 0 338.266 2.706 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001608057861 1097820035 /nfs/dbraw/zinc/82/00/35/1097820035.db2.gz CJHRQGHRMZYKEX-UHFFFAOYSA-N -1 0 345.380 2.542 20 30 EFEDRM Cc1onc(CC(=O)Nc2cccc(SCCC(=O)[O-])c2)c1C#N ZINC001608058239 1097820097 /nfs/dbraw/zinc/82/00/97/1097820097.db2.gz HNBGAJFVPBEYHX-UHFFFAOYSA-N -1 0 345.380 2.603 20 30 EFEDRM Cc1cc(NC(=O)Nc2cc(C(=O)[O-])sc2C)nn1CCC#N ZINC001608063405 1097822504 /nfs/dbraw/zinc/82/25/04/1097822504.db2.gz RPVWZLGAOJLCSQ-UHFFFAOYSA-N -1 0 333.373 2.817 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cccc(C#CCO)c1 ZINC001608067938 1097823022 /nfs/dbraw/zinc/82/30/22/1097823022.db2.gz XZIYRSBVDWNEPK-UHFFFAOYSA-N -1 0 329.377 2.659 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001608068146 1097824325 /nfs/dbraw/zinc/82/43/25/1097824325.db2.gz NLNJLYRFEQSHLR-CYBMUJFWSA-N -1 0 341.392 2.999 20 30 EFEDRM Cc1sc([C@H]2CCCN2Cc2ccnc(C#N)c2)nc1C(=O)[O-] ZINC001608068189 1097824630 /nfs/dbraw/zinc/82/46/30/1097824630.db2.gz LXSALVTWXQBRBL-CYBMUJFWSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1c2ccc(F)cc2c(CN[C@H](CC#N)C(F)(F)F)c1C(=O)[O-] ZINC001608078870 1097826878 /nfs/dbraw/zinc/82/68/78/1097826878.db2.gz FOGIAGFNMYAQHC-GFCCVEGCSA-N -1 0 343.280 2.950 20 30 EFEDRM Cn1cc(C=NNCc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC001608107795 1097836135 /nfs/dbraw/zinc/83/61/35/1097836135.db2.gz XHHZEIPFSVVXTK-UHFFFAOYSA-N -1 0 325.290 2.866 20 30 EFEDRM Cn1nc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001608150239 1097846738 /nfs/dbraw/zinc/84/67/38/1097846738.db2.gz KUNBCNIQCUIPCK-ZDUSSCGKSA-N -1 0 341.371 2.675 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001608170628 1097849560 /nfs/dbraw/zinc/84/95/60/1097849560.db2.gz VBXHTMBKSRKPMB-SQWLQELKSA-N -1 0 339.391 2.887 20 30 EFEDRM N#CC(C(=O)CCc1ocnc1C(=O)[O-])c1nc(C2CC2)cs1 ZINC001608169876 1097849744 /nfs/dbraw/zinc/84/97/44/1097849744.db2.gz FCNGNYOOQDJPSE-VIFPVBQESA-N -1 0 331.353 2.516 20 30 EFEDRM Cn1nccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1Br ZINC001608162782 1097849765 /nfs/dbraw/zinc/84/97/65/1097849765.db2.gz QWUOEJWWPFQWCW-PLNGDYQASA-N -1 0 335.157 2.777 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001608170312 1097850056 /nfs/dbraw/zinc/85/00/56/1097850056.db2.gz MXSBBHQMCZPMIV-KRWDZBQOSA-N -1 0 336.391 2.816 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CC2C3CC4CC(C3)CC2C4)CC1 ZINC001608171032 1097850692 /nfs/dbraw/zinc/85/06/92/1097850692.db2.gz DRSQDVUIIYXHAO-UHFFFAOYSA-N -1 0 330.428 2.666 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC001608172780 1097850814 /nfs/dbraw/zinc/85/08/14/1097850814.db2.gz PXQIRJNECBWGCC-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc([S@](=O)C(F)(F)F)cc2)CC1 ZINC001608173841 1097850907 /nfs/dbraw/zinc/85/09/07/1097850907.db2.gz CBGAWESSAKMMRC-QHCPKHFHSA-N -1 0 346.330 2.509 20 30 EFEDRM N#CC1(CCC[S@@](=O)Cc2ccccc2C(=O)[O-])CCOCC1 ZINC001608175354 1097851598 /nfs/dbraw/zinc/85/15/98/1097851598.db2.gz WBEABSCKUJFAAT-HSZRJFAPSA-N -1 0 335.425 2.734 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001608174585 1097851741 /nfs/dbraw/zinc/85/17/41/1097851741.db2.gz SERLPKRFIFRXMH-UHFFFAOYSA-N -1 0 327.699 2.582 20 30 EFEDRM N#C[C@]1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCCOC1 ZINC001608175677 1097851831 /nfs/dbraw/zinc/85/18/31/1097851831.db2.gz FUBWBWXCYYDTDD-MAUKXSAKSA-N -1 0 329.352 2.626 20 30 EFEDRM N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCC1 ZINC001608174459 1097852057 /nfs/dbraw/zinc/85/20/57/1097852057.db2.gz ZGNMLKHVQKZOOB-OAHLLOKOSA-N -1 0 325.368 2.607 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2sc3ncccc3c2Cl)CC1 ZINC001608174041 1097852312 /nfs/dbraw/zinc/85/23/12/1097852312.db2.gz GFJLSMXQHXHIRS-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#CC1CCC(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001608179636 1097853110 /nfs/dbraw/zinc/85/31/10/1097853110.db2.gz YKURRFDUBQHGBF-UHFFFAOYSA-N -1 0 331.372 2.601 20 30 EFEDRM N#CC1(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CCCCC1 ZINC001608176419 1097853173 /nfs/dbraw/zinc/85/31/73/1097853173.db2.gz XDCQZSGQAWVBLO-INIZCTEOSA-N -1 0 328.412 2.910 20 30 EFEDRM N#CC1(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCCC1 ZINC001608177554 1097853209 /nfs/dbraw/zinc/85/32/09/1097853209.db2.gz ZGCDJJLVGBNEED-UHFFFAOYSA-N -1 0 337.173 2.713 20 30 EFEDRM N#CC1(c2ccc(C(=O)NCc3ccc(C(=O)[O-])s3)cc2)CC1 ZINC001608176770 1097853298 /nfs/dbraw/zinc/85/32/98/1097853298.db2.gz CYAXFHDJTXEUDL-UHFFFAOYSA-N -1 0 326.377 2.931 20 30 EFEDRM N#CCCCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001608181058 1097853414 /nfs/dbraw/zinc/85/34/14/1097853414.db2.gz FQMLDHXLQDLEJQ-UHFFFAOYSA-N -1 0 339.189 2.556 20 30 EFEDRM N#CCCNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001608184710 1097853861 /nfs/dbraw/zinc/85/38/61/1097853861.db2.gz TWLSQWQYAFMTNM-UHFFFAOYSA-N -1 0 339.307 2.850 20 30 EFEDRM N#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CC1 ZINC001608184295 1097853935 /nfs/dbraw/zinc/85/39/35/1097853935.db2.gz WHVWLVZYWYXDAJ-UHFFFAOYSA-N -1 0 342.182 2.618 20 30 EFEDRM N#CCOc1cccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001608186972 1097854069 /nfs/dbraw/zinc/85/40/69/1097854069.db2.gz HQVZFJYTJMDACY-AWEZNQCLSA-N -1 0 345.399 2.992 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC001608186529 1097854084 /nfs/dbraw/zinc/85/40/84/1097854084.db2.gz OVIOJRLAODIGJF-UHFFFAOYSA-N -1 0 337.379 2.739 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001608184233 1097854312 /nfs/dbraw/zinc/85/43/12/1097854312.db2.gz UGNGVTPZFIJBOB-UHFFFAOYSA-N -1 0 335.772 2.514 20 30 EFEDRM N#CCOc1ccc(COC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001608188854 1097854888 /nfs/dbraw/zinc/85/48/88/1097854888.db2.gz PCMSKRMUKQAWJR-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#CCSc1ccccc1C(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001608188674 1097854937 /nfs/dbraw/zinc/85/49/37/1097854937.db2.gz QZBICWAKWLZDLT-ZMJPVWNMSA-N -1 0 331.393 2.958 20 30 EFEDRM N#CCc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001608189369 1097855297 /nfs/dbraw/zinc/85/52/97/1097855297.db2.gz OXAJRPBFIVKMNH-AWEZNQCLSA-N -1 0 328.393 2.689 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001608188154 1097855404 /nfs/dbraw/zinc/85/54/04/1097855404.db2.gz KGQVPMOJMLNUER-JSGCOSHPSA-N -1 0 327.384 2.535 20 30 EFEDRM N#CCOc1cccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001608189065 1097855642 /nfs/dbraw/zinc/85/56/42/1097855642.db2.gz YWUXXTXWWBTQEM-QPEQYQDCSA-N -1 0 338.294 2.919 20 30 EFEDRM N#Cc1c(CN[C@@]2(CO)CCCc3ccccc32)cccc1C(=O)[O-] ZINC001608191048 1097856229 /nfs/dbraw/zinc/85/62/29/1097856229.db2.gz NUPZZWQBCALTSO-HXUWFJFHSA-N -1 0 336.391 2.570 20 30 EFEDRM N#CCn1c(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC001608190121 1097856498 /nfs/dbraw/zinc/85/64/98/1097856498.db2.gz IPMRFMRUUSPOKY-XJKSGUPXSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c(CSC[C@H]2CC3(CCC3)C(=O)O2)cccc1C(=O)[O-] ZINC001608191808 1097856632 /nfs/dbraw/zinc/85/66/32/1097856632.db2.gz DWDRHQXDCFOHFB-GFCCVEGCSA-N -1 0 331.393 2.975 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1F ZINC001608192060 1097856688 /nfs/dbraw/zinc/85/66/88/1097856688.db2.gz HPXIBFZXDBLKCU-ZDUSSCGKSA-N -1 0 344.317 2.652 20 30 EFEDRM N#CCn1c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC001608190541 1097856717 /nfs/dbraw/zinc/85/67/17/1097856717.db2.gz UHISQBYAUSSEMV-CABCVRRESA-N -1 0 339.395 2.928 20 30 EFEDRM N#Cc1c(COC(=O)CSc2ccc(O)cc2)cccc1C(=O)[O-] ZINC001608191651 1097856811 /nfs/dbraw/zinc/85/68/11/1097856811.db2.gz YLELUFFJIQEZML-UHFFFAOYSA-N -1 0 343.360 2.798 20 30 EFEDRM N#Cc1c(CON=C(N)c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC001608192696 1097857161 /nfs/dbraw/zinc/85/71/61/1097857161.db2.gz YEDZYZMSGMJRRX-UHFFFAOYSA-N -1 0 331.278 2.581 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001608192117 1097857364 /nfs/dbraw/zinc/85/73/64/1097857364.db2.gz UOECILCXXWJGPW-UHFFFAOYSA-N -1 0 325.368 2.804 20 30 EFEDRM N#Cc1cc(Br)ccc1COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001608195245 1097857903 /nfs/dbraw/zinc/85/79/03/1097857903.db2.gz JYFYPSDCBBWXCP-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001608192470 1097857968 /nfs/dbraw/zinc/85/79/68/1097857968.db2.gz PTKWATRXJQZLDM-CYBMUJFWSA-N -1 0 348.280 2.574 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])n1 ZINC001608195572 1097858043 /nfs/dbraw/zinc/85/80/43/1097858043.db2.gz CIEYODJIOMOWFL-CABZTGNLSA-N -1 0 343.305 2.654 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001608198623 1097858301 /nfs/dbraw/zinc/85/83/01/1097858301.db2.gz QVYVASUQVJYSQG-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1c(NC(=O)c2ccoc2CC(=O)[O-])sc2c1CCCC2 ZINC001608195716 1097858937 /nfs/dbraw/zinc/85/89/37/1097858937.db2.gz WOEMXRGTGXLZOY-UHFFFAOYSA-N -1 0 330.365 2.971 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001608196857 1097858994 /nfs/dbraw/zinc/85/89/94/1097858994.db2.gz HNJFSPVQJWGQKS-CYBMUJFWSA-N -1 0 345.252 2.568 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001608197139 1097859007 /nfs/dbraw/zinc/85/90/07/1097859007.db2.gz RGKUEXGADXTVFD-UHFFFAOYSA-N -1 0 331.328 2.522 20 30 EFEDRM N#Cc1ccc(-c2ccccc2)nc1SC[C@H]1CC(C(=O)[O-])=NO1 ZINC001608198347 1097859086 /nfs/dbraw/zinc/85/90/86/1097859086.db2.gz BHAWPPUIUWDHGS-CYBMUJFWSA-N -1 0 339.376 2.942 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c(F)c1 ZINC001608196766 1097859116 /nfs/dbraw/zinc/85/91/16/1097859116.db2.gz FNFLYDGBIXOIKF-UHFFFAOYSA-N -1 0 342.301 2.733 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC001608200315 1097859435 /nfs/dbraw/zinc/85/94/35/1097859435.db2.gz ZAFHLXOYQWGYSZ-RTBURBONSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001608199007 1097859559 /nfs/dbraw/zinc/85/95/59/1097859559.db2.gz OCRXGJZBXDFJLD-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cn1 ZINC001608200164 1097859827 /nfs/dbraw/zinc/85/98/27/1097859827.db2.gz FOIQVBKODLAXQN-KBXCAEBGSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[nH]1 ZINC001608199551 1097860105 /nfs/dbraw/zinc/86/01/05/1097860105.db2.gz MTMPCBGVNIJCMW-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1ccc([C@H](O)COc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001608201614 1097860688 /nfs/dbraw/zinc/86/06/88/1097860688.db2.gz FJFXYUMINNDYAT-MRXNPFEDSA-N -1 0 329.377 2.847 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCc3ccccc3O2)C(=O)[O-])cc1 ZINC001608202268 1097861111 /nfs/dbraw/zinc/86/11/11/1097861111.db2.gz NOEKRKIWGOOZQG-SJORKVTESA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CC23CCSCC3)C(=O)[O-])cc1 ZINC001608202766 1097861221 /nfs/dbraw/zinc/86/12/21/1097861221.db2.gz WMWAABMOALSMRN-KGLIPLIRSA-N -1 0 331.393 2.760 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Nc3ccc(C(=O)[O-])cn3)CCC2)cc1 ZINC001608203873 1097861582 /nfs/dbraw/zinc/86/15/82/1097861582.db2.gz WSWPMCJUFXYAKN-UHFFFAOYSA-N -1 0 336.351 2.852 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001608204358 1097861712 /nfs/dbraw/zinc/86/17/12/1097861712.db2.gz CWOLDIJAEUEKBA-UHFFFAOYSA-N -1 0 345.305 2.899 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001608204709 1097862258 /nfs/dbraw/zinc/86/22/58/1097862258.db2.gz NUWRZACETDVDAO-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)cc1 ZINC001608203863 1097862266 /nfs/dbraw/zinc/86/22/66/1097862266.db2.gz KRTNHANHEQYLGO-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1ccc(F)c(COC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001608206976 1097862893 /nfs/dbraw/zinc/86/28/93/1097862893.db2.gz SCFRQZJTNAMYAV-BEFAXECRSA-N -1 0 339.322 2.999 20 30 EFEDRM N#Cc1ccc(CCC(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001608204917 1097863017 /nfs/dbraw/zinc/86/30/17/1097863017.db2.gz SEOPDJAEHPDOEU-UHFFFAOYSA-N -1 0 337.331 2.615 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001608206954 1097863109 /nfs/dbraw/zinc/86/31/09/1097863109.db2.gz RHMKDIPGQZNGLY-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001608210077 1097864203 /nfs/dbraw/zinc/86/42/03/1097864203.db2.gz CULOBLAPLZLXFO-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(F)c1 ZINC001608208759 1097864389 /nfs/dbraw/zinc/86/43/89/1097864389.db2.gz OSMNBVJRQQWPLC-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2cccc3sc(C(=O)[O-])cc32)o1 ZINC001608213462 1097865013 /nfs/dbraw/zinc/86/50/13/1097865013.db2.gz NAFWCAKWMFCLSC-UHFFFAOYSA-N -1 0 349.345 2.832 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)CCc1ccccc1C(=O)[O-] ZINC001608214067 1097865185 /nfs/dbraw/zinc/86/51/85/1097865185.db2.gz CILYSLQVNILDET-UHFFFAOYSA-N -1 0 335.363 2.563 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C2 ZINC001608213441 1097865300 /nfs/dbraw/zinc/86/53/00/1097865300.db2.gz MQTBIIMUBVJLIW-GFCCVEGCSA-N -1 0 327.365 2.607 20 30 EFEDRM N#Cc1cccc([C@@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1 ZINC001608214512 1097865338 /nfs/dbraw/zinc/86/53/38/1097865338.db2.gz BPEZNVFSDKTESI-MRXNPFEDSA-N -1 0 327.409 2.809 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC001608213094 1097865396 /nfs/dbraw/zinc/86/53/96/1097865396.db2.gz GPKFWIROROSODQ-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001608213587 1097865527 /nfs/dbraw/zinc/86/55/27/1097865527.db2.gz SUHHIODUOOQQDO-INIZCTEOSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)c1 ZINC001608215118 1097865801 /nfs/dbraw/zinc/86/58/01/1097865801.db2.gz LSBHFHYWDVQFKP-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001608215329 1097865842 /nfs/dbraw/zinc/86/58/42/1097865842.db2.gz PFDRJXIBMGCODP-CQSZACIVSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1cccc([C@@H](N[C@H]2COc3cc(F)cc(F)c32)C(=O)[O-])c1 ZINC001608216118 1097866455 /nfs/dbraw/zinc/86/64/55/1097866455.db2.gz WGGZHFQWLRVPDA-XJKSGUPXSA-N -1 0 330.290 2.685 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001608218039 1097867304 /nfs/dbraw/zinc/86/73/04/1097867304.db2.gz CJJXVSJDXBCCIW-LSDHHAIUSA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1cccc(C2([NH2+]Cc3ccc(C(=O)[O-])o3)CCOCC2)c1 ZINC001608217845 1097867330 /nfs/dbraw/zinc/86/73/30/1097867330.db2.gz VZYUCDUBYQYNPW-UHFFFAOYSA-N -1 0 326.352 2.645 20 30 EFEDRM N#Cc1ccccc1COc1ccc(Br)nc1C(=O)[O-] ZINC001608220435 1097868200 /nfs/dbraw/zinc/86/82/00/1097868200.db2.gz ZNSSGEQRVQAEPA-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001608218798 1097868293 /nfs/dbraw/zinc/86/82/93/1097868293.db2.gz ZEUIYWDUKRJBQD-UHFFFAOYSA-N -1 0 343.364 2.608 20 30 EFEDRM N#Cc1ccccc1NC1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001608219000 1097868476 /nfs/dbraw/zinc/86/84/76/1097868476.db2.gz FGFHAUJBAZYYEP-UHFFFAOYSA-N -1 0 339.351 2.566 20 30 EFEDRM N#Cc1cccc2c1CCCN2C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001608220611 1097868859 /nfs/dbraw/zinc/86/88/59/1097868859.db2.gz FVTSGUNROWLEIK-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1cnc(Nc2cccc(CSCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001608223292 1097869148 /nfs/dbraw/zinc/86/91/48/1097869148.db2.gz YQAQCBCWKQHZIX-UHFFFAOYSA-N -1 0 344.352 2.923 20 30 EFEDRM N#Cc1cnccc1NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001608222292 1097869597 /nfs/dbraw/zinc/86/95/97/1097869597.db2.gz DQYMOFOMNWOTNR-UHFFFAOYSA-N -1 0 336.376 2.809 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC2(CC1)OCc1ccccc12 ZINC001608223791 1097869787 /nfs/dbraw/zinc/86/97/87/1097869787.db2.gz JGYNGAXOIVDOIT-UHFFFAOYSA-N -1 0 335.363 2.677 20 30 EFEDRM N#Cc1ccsc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001608222376 1097869880 /nfs/dbraw/zinc/86/98/80/1097869880.db2.gz CERNAWWOGTUYPU-UHFFFAOYSA-N -1 0 325.349 2.911 20 30 EFEDRM N#Cc1sc(N2CCOc3c(cccc3C(=O)[O-])C2)nc1Cl ZINC001608224763 1097870532 /nfs/dbraw/zinc/87/05/32/1097870532.db2.gz BGAFAGADABOGJE-UHFFFAOYSA-N -1 0 335.772 2.765 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(OC2CCCCC2)CC1 ZINC001608224255 1097871017 /nfs/dbraw/zinc/87/10/17/1097871017.db2.gz TYRXRAIZUJSGGX-UHFFFAOYSA-N -1 0 329.400 2.970 20 30 EFEDRM O=C([O-])c1cccc2c1CCN2C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001608284781 1097881519 /nfs/dbraw/zinc/88/15/19/1097881519.db2.gz RFLUOIUKYMUSCF-RMKNXTFCSA-N -1 0 339.322 2.696 20 30 EFEDRM O=C([O-])c1c(NC(=O)CC#Cc2ccccc2)sc2c1CCOC2 ZINC001608288640 1097883482 /nfs/dbraw/zinc/88/34/82/1097883482.db2.gz ILSCKJOQXJZJDC-UHFFFAOYSA-N -1 0 341.388 2.899 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)NCc2cccc(Cl)c2)cc1 ZINC001608349422 1097899597 /nfs/dbraw/zinc/89/95/97/1097899597.db2.gz JNCIYCXLSCVYEI-UHFFFAOYSA-N -1 0 346.770 2.705 20 30 EFEDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001608391834 1097909949 /nfs/dbraw/zinc/90/99/49/1097909949.db2.gz VRKLXYIABBBOOB-MRVPVSSYSA-N -1 0 347.186 2.980 20 30 EFEDRM O=C([O-])CN(CCC(F)(F)F)C(=O)c1c(F)c(F)cc(F)c1F ZINC001608745006 1098009270 /nfs/dbraw/zinc/00/92/70/1098009270.db2.gz KMHJJSHRFJGFAF-UHFFFAOYSA-N -1 0 347.186 2.722 20 30 EFEDRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)N(O)Cc2cccc3ccccc32)C1 ZINC001608809917 1098029371 /nfs/dbraw/zinc/02/93/71/1098029371.db2.gz UJMMBJZYBJFDQP-JKSUJKDBSA-N -1 0 343.379 2.828 20 30 EFEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC001608876133 1098054086 /nfs/dbraw/zinc/05/40/86/1098054086.db2.gz BPMGWFGFBJOKSN-UHFFFAOYSA-N -1 0 337.253 2.940 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001608879508 1098055395 /nfs/dbraw/zinc/05/53/95/1098055395.db2.gz KSHHSMPXQIWSBU-WBVHZDCISA-N -1 0 344.411 2.917 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2noc3c2CCCCC3)c1 ZINC001608927684 1098077086 /nfs/dbraw/zinc/07/70/86/1098077086.db2.gz AGBPGGYTQVVDRK-UHFFFAOYSA-N -1 0 339.347 2.850 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001608928254 1098077534 /nfs/dbraw/zinc/07/75/34/1098077534.db2.gz ZFUXUHACKWFQAX-MQVJKMGUSA-N -1 0 330.405 2.954 20 30 EFEDRM O=C([O-])c1cccc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)c1F ZINC001608935868 1098081321 /nfs/dbraw/zinc/08/13/21/1098081321.db2.gz NMKLCYLMNCKTRF-UHFFFAOYSA-N -1 0 349.387 2.868 20 30 EFEDRM O=C([O-])c1cccc2c1CN(C(=O)NCC#Cc1ccccc1)CC2 ZINC001608941660 1098084188 /nfs/dbraw/zinc/08/41/88/1098084188.db2.gz NWJBWJXIJIXYBV-UHFFFAOYSA-N -1 0 334.375 2.504 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC001608985523 1098099087 /nfs/dbraw/zinc/09/90/87/1098099087.db2.gz FVWHWHKCWBRKPB-ZZXKWVIFSA-N -1 0 327.336 2.711 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001609054341 1098123230 /nfs/dbraw/zinc/12/32/30/1098123230.db2.gz HMLBFKZOWSMANH-LBPRGKRZSA-N -1 0 326.352 2.837 20 30 EFEDRM C#C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057930 1098124192 /nfs/dbraw/zinc/12/41/92/1098124192.db2.gz JVSCCZQSWWNGHN-KRWDZBQOSA-N -1 0 340.354 2.740 20 30 EFEDRM C#C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001609055262 1098124588 /nfs/dbraw/zinc/12/45/88/1098124588.db2.gz ZLDFPZJQVHOYAV-KRWDZBQOSA-N -1 0 325.339 2.947 20 30 EFEDRM C=CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[nH]n2)c1 ZINC001609058868 1098126614 /nfs/dbraw/zinc/12/66/14/1098126614.db2.gz AGMXJERDHGWLOK-VURMDHGXSA-N -1 0 349.350 2.695 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001609076552 1098133375 /nfs/dbraw/zinc/13/33/75/1098133375.db2.gz PVYQUPIEAYCLMA-HNNXBMFYSA-N -1 0 325.364 2.580 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001609076325 1098133526 /nfs/dbraw/zinc/13/35/26/1098133526.db2.gz HWOJHZYMJUOYMJ-GOSISDBHSA-N -1 0 336.391 2.819 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)ccc2F)o1 ZINC001609081409 1098135361 /nfs/dbraw/zinc/13/53/61/1098135361.db2.gz OACRZGYRHLOXOC-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM C#CCCCCCC(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001609105054 1098146563 /nfs/dbraw/zinc/14/65/63/1098146563.db2.gz GYALQZNWHPJBLW-UHFFFAOYSA-N -1 0 340.383 2.547 20 30 EFEDRM C#CCCOc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001609137353 1098162976 /nfs/dbraw/zinc/16/29/76/1098162976.db2.gz OOLPEHXGLWPOGZ-UHFFFAOYSA-N -1 0 329.396 2.996 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC001609137284 1098163339 /nfs/dbraw/zinc/16/33/39/1098163339.db2.gz JGLZJUIQRFOPQW-IBGZPJMESA-N -1 0 349.386 2.740 20 30 EFEDRM C#CCN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccccc1 ZINC001609153060 1098171356 /nfs/dbraw/zinc/17/13/56/1098171356.db2.gz XYPIFUFJYMYVRY-UHFFFAOYSA-N -1 0 328.393 2.520 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001609167543 1098180144 /nfs/dbraw/zinc/18/01/44/1098180144.db2.gz GGTFDPHQXHIHES-UHFFFAOYSA-N -1 0 330.727 2.698 20 30 EFEDRM C#CCOc1ccccc1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001609174954 1098183211 /nfs/dbraw/zinc/18/32/11/1098183211.db2.gz SONQXLYPHMCJKD-UHFFFAOYSA-N -1 0 345.380 2.816 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001609174833 1098183217 /nfs/dbraw/zinc/18/32/17/1098183217.db2.gz OOSPHQGJTNVJOZ-UHFFFAOYSA-N -1 0 328.324 2.620 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001609183731 1098185358 /nfs/dbraw/zinc/18/53/58/1098185358.db2.gz PFKDXDHNKMWKDT-RTBURBONSA-N -1 0 348.402 2.678 20 30 EFEDRM CCO[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001609239250 1098217766 /nfs/dbraw/zinc/21/77/66/1098217766.db2.gz CWEQDTOQOCPALM-SNVBAGLBSA-N -1 0 333.396 2.509 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001609248209 1098221903 /nfs/dbraw/zinc/22/19/03/1098221903.db2.gz DGLRELQKNQTMSN-UHFFFAOYSA-N -1 0 330.743 2.892 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001609259433 1098228623 /nfs/dbraw/zinc/22/86/23/1098228623.db2.gz QEEQHIULXURCSH-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001609257999 1098228834 /nfs/dbraw/zinc/22/88/34/1098228834.db2.gz WMYWDUOVATUKKP-QCWFZSBYSA-N -1 0 332.352 2.680 20 30 EFEDRM C=C(CNC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC001609259412 1098229320 /nfs/dbraw/zinc/22/93/20/1098229320.db2.gz OPNTVEWHKKFZQN-UHFFFAOYSA-N -1 0 346.412 2.780 20 30 EFEDRM C=C[C@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC001609272222 1098234283 /nfs/dbraw/zinc/23/42/83/1098234283.db2.gz KZUZOUOZADOIEC-KRWDZBQOSA-N -1 0 336.391 2.870 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001609345873 1098258353 /nfs/dbraw/zinc/25/83/53/1098258353.db2.gz LBEICXJBRZWVHW-SFHVURJKSA-N -1 0 332.400 2.951 20 30 EFEDRM COc1ccc2ccccc2c1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001609360071 1098265278 /nfs/dbraw/zinc/26/52/78/1098265278.db2.gz CUEAELUSLHYNPZ-UHFFFAOYSA-N -1 0 349.354 2.771 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(-c2nn[nH]n2)cc1 ZINC001609397351 1098286922 /nfs/dbraw/zinc/28/69/22/1098286922.db2.gz SEPHGZXRSCQVAD-UHFFFAOYSA-N -1 0 336.355 2.628 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001609407231 1098294789 /nfs/dbraw/zinc/29/47/89/1098294789.db2.gz ULBVRVLSYMSZGP-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM Cc1nn(C(C)C)cc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001609458207 1098335552 /nfs/dbraw/zinc/33/55/52/1098335552.db2.gz ZDAUAGWCMMWFCS-UHFFFAOYSA-N -1 0 343.395 2.510 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC001609460347 1098335863 /nfs/dbraw/zinc/33/58/63/1098335863.db2.gz PTGHPSMQIJZMNA-MRXNPFEDSA-N -1 0 327.336 2.513 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1ccoc1C(=O)[O-] ZINC001609459993 1098336165 /nfs/dbraw/zinc/33/61/65/1098336165.db2.gz BXTJOMVGCOVFCB-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCOc1ccccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609461556 1098336649 /nfs/dbraw/zinc/33/66/49/1098336649.db2.gz AVMJUGUFZKAKTB-UHFFFAOYSA-N -1 0 329.312 2.865 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001609460086 1098337192 /nfs/dbraw/zinc/33/71/92/1098337192.db2.gz FHUFGBKTWNGUGC-UHFFFAOYSA-N -1 0 329.352 2.710 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001609469928 1098343705 /nfs/dbraw/zinc/34/37/05/1098343705.db2.gz CJQZGBISGWUNBH-CYBMUJFWSA-N -1 0 343.431 2.786 20 30 EFEDRM CC#CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001609488858 1098353109 /nfs/dbraw/zinc/35/31/09/1098353109.db2.gz NPFMVBNVHUIVRQ-AWEZNQCLSA-N -1 0 338.201 2.885 20 30 EFEDRM CC#CCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001609489202 1098356532 /nfs/dbraw/zinc/35/65/32/1098356532.db2.gz VVXJCTSKGCXGCB-UHFFFAOYSA-N -1 0 328.412 2.762 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)ccc1O ZINC001269685823 1098358862 /nfs/dbraw/zinc/35/88/62/1098358862.db2.gz FEEYMKWASVNDEI-HUUCEWRRSA-N -1 0 348.830 2.827 20 30 EFEDRM CC(=NNc1cccc(F)c1C(=O)[O-])c1cnnn1-c1ccccc1 ZINC001609556952 1098379208 /nfs/dbraw/zinc/37/92/08/1098379208.db2.gz WMKRYLGIQMRCNK-UHFFFAOYSA-N -1 0 339.330 2.941 20 30 EFEDRM CC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1cc([N+](=O)[O-])ccc1N ZINC001609556809 1098379434 /nfs/dbraw/zinc/37/94/34/1098379434.db2.gz MCLARQHEUOLDDV-UHFFFAOYSA-N -1 0 332.291 2.850 20 30 EFEDRM O=C([O-])c1cccc(C=NNc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC001609572754 1098385514 /nfs/dbraw/zinc/38/55/14/1098385514.db2.gz LOIPRCAVHYUZLZ-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001609572930 1098386149 /nfs/dbraw/zinc/38/61/49/1098386149.db2.gz PEXVWYWOSXKLAC-DUXPYHPUSA-N -1 0 344.327 2.662 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001609630912 1098410381 /nfs/dbraw/zinc/41/03/81/1098410381.db2.gz JBLVSOHZFAYDSE-SNVBAGLBSA-N -1 0 344.396 2.718 20 30 EFEDRM CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001609653700 1098417037 /nfs/dbraw/zinc/41/70/37/1098417037.db2.gz NAESTVFGCXPYDL-AWEZNQCLSA-N -1 0 344.820 2.645 20 30 EFEDRM CC(C)(NC(=O)C[C@@H](CC#N)c1ccccc1)c1cc(C(=O)[O-])on1 ZINC001609678839 1098424317 /nfs/dbraw/zinc/42/43/17/1098424317.db2.gz KUXYKAMEVGVKFJ-CYBMUJFWSA-N -1 0 341.367 2.812 20 30 EFEDRM CC(C)OCCON=Cc1ccc(C(=O)[O-])cc1Br ZINC001609711032 1098433862 /nfs/dbraw/zinc/43/38/62/1098433862.db2.gz PIKHAHSDTBDXPB-UHFFFAOYSA-N -1 0 330.178 2.923 20 30 EFEDRM CC(C)c1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)c(C(=O)[O-])c1 ZINC001609719614 1098436272 /nfs/dbraw/zinc/43/62/72/1098436272.db2.gz KFZBYGRQBMRTFF-UHFFFAOYSA-N -1 0 345.399 2.597 20 30 EFEDRM CC(C)c1cccc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001609720322 1098437270 /nfs/dbraw/zinc/43/72/70/1098437270.db2.gz BDEPMRGTAZGJDA-UHFFFAOYSA-N -1 0 329.400 2.710 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001609732508 1098441495 /nfs/dbraw/zinc/44/14/95/1098441495.db2.gz AYVYZJQDRDOMON-JOYOIKCWSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 ZINC001609801428 1098461572 /nfs/dbraw/zinc/46/15/72/1098461572.db2.gz GMIVTGMJGZWSFY-GFCCVEGCSA-N -1 0 337.335 2.634 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)OCc1nc(C#N)cs1)C(=O)[O-] ZINC001609806307 1098463788 /nfs/dbraw/zinc/46/37/88/1098463788.db2.gz YZGDVAUDXRBPOM-VIFPVBQESA-N -1 0 348.405 2.937 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001609832726 1098471311 /nfs/dbraw/zinc/47/13/11/1098471311.db2.gz HANSVFOBWZDPCU-APPZFPTMSA-N -1 0 335.285 2.823 20 30 EFEDRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1ccc(Cl)cc1C#N ZINC001609853957 1098477184 /nfs/dbraw/zinc/47/71/84/1098477184.db2.gz UHBQSUCFJWOFNI-GCUJQHFUSA-N -1 0 334.803 2.807 20 30 EFEDRM CC[C@@H](C)C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609906147 1098490178 /nfs/dbraw/zinc/49/01/78/1098490178.db2.gz BKCXNQBUHYSXLY-KCJUWKMLSA-N -1 0 343.305 2.591 20 30 EFEDRM CC[C@@](NC(=O)c1ncc(C#N)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001609934391 1098498692 /nfs/dbraw/zinc/49/86/92/1098498692.db2.gz VYCOHKMFOBQODH-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM CC[C@](NC(=O)c1ncc(C#N)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001609934399 1098498787 /nfs/dbraw/zinc/49/87/87/1098498787.db2.gz VYCOHKMFOBQODH-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM CCCC[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609962379 1098507967 /nfs/dbraw/zinc/50/79/67/1098507967.db2.gz BQSATLLWPJYKIP-SNVBAGLBSA-N -1 0 330.262 2.772 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC001609967285 1098509467 /nfs/dbraw/zinc/50/94/67/1098509467.db2.gz PCPLNSHYDCWSQM-LBPRGKRZSA-N -1 0 344.820 2.523 20 30 EFEDRM CCc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1O ZINC001610059561 1098533837 /nfs/dbraw/zinc/53/38/37/1098533837.db2.gz YMULBQGIAPKZHO-MRXNPFEDSA-N -1 0 325.320 2.809 20 30 EFEDRM CCc1ccc(C#CC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001610060090 1098534122 /nfs/dbraw/zinc/53/41/22/1098534122.db2.gz AUZOBYHZRJBXTO-UHFFFAOYSA-N -1 0 337.375 2.727 20 30 EFEDRM CCc1ccc2occ(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001610065334 1098536514 /nfs/dbraw/zinc/53/65/14/1098536514.db2.gz OIYXSTQGWDRSPG-UHFFFAOYSA-N -1 0 326.352 2.826 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([S-])cc1 ZINC001269961965 1098548097 /nfs/dbraw/zinc/54/80/97/1098548097.db2.gz ASHPZUUKWOQDSH-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCCc2ccccc2C(=O)[O-])c1 ZINC001610105005 1098548847 /nfs/dbraw/zinc/54/88/47/1098548847.db2.gz NXHRLXVGXSRMEN-UHFFFAOYSA-N -1 0 338.363 2.722 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccccc2[S-])C1=O ZINC001269962679 1098550539 /nfs/dbraw/zinc/55/05/39/1098550539.db2.gz ICSBHLXMQMOYEJ-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc([S-])cc1)CC2 ZINC001269963670 1098550547 /nfs/dbraw/zinc/55/05/47/1098550547.db2.gz MMVPKGGFGHXWQW-OAHLLOKOSA-N -1 0 330.453 2.520 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccccc3[S-])C2)C1=O ZINC001269964557 1098551005 /nfs/dbraw/zinc/55/10/05/1098551005.db2.gz WXALGIMAXPVSHN-GOSISDBHSA-N -1 0 330.453 2.616 20 30 EFEDRM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001610119646 1098552054 /nfs/dbraw/zinc/55/20/54/1098552054.db2.gz SPXLYWOYYQJIIQ-UHFFFAOYSA-N -1 0 347.415 2.555 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC001610123743 1098553797 /nfs/dbraw/zinc/55/37/97/1098553797.db2.gz LYIGUMUDKDTIKI-UHFFFAOYSA-N -1 0 341.323 2.566 20 30 EFEDRM CN1CCc2cc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)ccc21 ZINC001610138405 1098556143 /nfs/dbraw/zinc/55/61/43/1098556143.db2.gz ILYXMSNMYYVVLR-UHFFFAOYSA-N -1 0 336.347 2.606 20 30 EFEDRM COC(=O)[C@H](C)n1cccc1C=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001610152108 1098558389 /nfs/dbraw/zinc/55/83/89/1098558389.db2.gz GTMCHKSFMKHROG-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(Cl)c1[O-] ZINC001269983576 1098567467 /nfs/dbraw/zinc/56/74/67/1098567467.db2.gz SROUTCXVMHWXOB-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001610312357 1098616388 /nfs/dbraw/zinc/61/63/88/1098616388.db2.gz XLIJAGCVHWVBKW-UHFFFAOYSA-N -1 0 328.368 2.931 20 30 EFEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)nc1Cl ZINC001610316864 1098617957 /nfs/dbraw/zinc/61/79/57/1098617957.db2.gz CUQYGPROHHNZQA-UHFFFAOYSA-N -1 0 346.726 2.670 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)o2)cc1 ZINC001610384512 1098648677 /nfs/dbraw/zinc/64/86/77/1098648677.db2.gz FNJZKNBUQBVDCB-ZDUSSCGKSA-N -1 0 330.365 2.819 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ncc(C#N)cc1Cl ZINC001610393953 1098653038 /nfs/dbraw/zinc/65/30/38/1098653038.db2.gz MJRMVWXIORJXPS-LLVKDONJSA-N -1 0 343.770 2.722 20 30 EFEDRM Cc1c(Br)cccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001610406803 1098659404 /nfs/dbraw/zinc/65/94/04/1098659404.db2.gz DYGNFTZKOLCEJP-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1c(Br)c(C(=O)[O-])nn1CN(C)c1ccccc1C#N ZINC001610406214 1098659655 /nfs/dbraw/zinc/65/96/55/1098659655.db2.gz ULNWGTDNOOMWMG-UHFFFAOYSA-N -1 0 349.188 2.618 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001610407447 1098661237 /nfs/dbraw/zinc/66/12/37/1098661237.db2.gz YVUAFOHNFDKBJW-SFHVURJKSA-N -1 0 347.374 2.774 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)OCC(=O)C(C)(C)C(=O)[O-] ZINC001610413622 1098664326 /nfs/dbraw/zinc/66/43/26/1098664326.db2.gz QDIYVNPOPZCIRE-UHFFFAOYSA-N -1 0 345.376 2.918 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001610432456 1098673296 /nfs/dbraw/zinc/67/32/96/1098673296.db2.gz DROLGXZQFKDRCA-UHFFFAOYSA-N -1 0 328.353 2.546 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC001610441852 1098678923 /nfs/dbraw/zinc/67/89/23/1098678923.db2.gz XDHQVMRNNALPGK-GOSISDBHSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1cc(C)c(NC(=O)CN2CCC(C#N)(C(=O)[O-])CC2)c(Cl)c1 ZINC001610456614 1098689354 /nfs/dbraw/zinc/68/93/54/1098689354.db2.gz WUBHYPRNSSPUDD-UHFFFAOYSA-N -1 0 349.818 2.586 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C/c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001610458060 1098689861 /nfs/dbraw/zinc/68/98/61/1098689861.db2.gz SKCGYYYGFREJHF-AATRIKPKSA-N -1 0 328.368 2.705 20 30 EFEDRM Cc1cc(CCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)s1 ZINC001610459782 1098691775 /nfs/dbraw/zinc/69/17/75/1098691775.db2.gz VXDMPSXFMXSSBK-UHFFFAOYSA-N -1 0 334.441 2.905 20 30 EFEDRM Cc1cc(CN=Nc2ccc(Cl)nn2)cc(C)c1OCC(=O)[O-] ZINC001610459690 1098692091 /nfs/dbraw/zinc/69/20/91/1098692091.db2.gz SBXKYRZCTTWDBT-UHFFFAOYSA-N -1 0 334.763 2.656 20 30 EFEDRM Cc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)nn1CC(F)(F)F ZINC001610474546 1098697347 /nfs/dbraw/zinc/69/73/47/1098697347.db2.gz KKKSPJLDNAWMNO-ZDUSSCGKSA-N -1 0 338.289 2.863 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cccc(F)c2C#N)c(C(=O)[O-])s1 ZINC001610476667 1098698691 /nfs/dbraw/zinc/69/86/91/1098698691.db2.gz BNJPLPJYQLZWHC-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1cc(SCCCN2C(=O)CS/C2=C\C(=O)[O-])ccc1C#N ZINC001610478345 1098700711 /nfs/dbraw/zinc/70/07/11/1098700711.db2.gz CCMKRANBMKYLGW-NVNXTCNLSA-N -1 0 348.449 2.850 20 30 EFEDRM Cc1ccc(-c2cncc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2)cc1 ZINC001610480685 1098701430 /nfs/dbraw/zinc/70/14/30/1098701430.db2.gz RAZLCIRNLQSRQE-UHFFFAOYSA-N -1 0 349.390 2.888 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC001610485951 1098705485 /nfs/dbraw/zinc/70/54/85/1098705485.db2.gz IKXBABHZCAMAOY-UHFFFAOYSA-N -1 0 339.347 2.882 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1ccc(CC#N)cc1 ZINC001610490172 1098708672 /nfs/dbraw/zinc/70/86/72/1098708672.db2.gz ZOZBPUMLUKIXMZ-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1c(/C=C2\COc3c(C)ccc(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001610496586 1098714042 /nfs/dbraw/zinc/71/40/42/1098714042.db2.gz ATKKZKLAJKLNDJ-KPKJPENVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1ccccc1-c1cnc(CN2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001610527876 1098732844 /nfs/dbraw/zinc/73/28/44/1098732844.db2.gz OHEURVDOKQYJQI-UHFFFAOYSA-N -1 0 325.368 2.840 20 30 EFEDRM Cc1n[nH]c(C)c1C[C@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610550203 1098746137 /nfs/dbraw/zinc/74/61/37/1098746137.db2.gz FSXYLJRRZJLFAA-JTQLQIEISA-N -1 0 341.367 2.518 20 30 EFEDRM Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)sc1C(=O)[O-] ZINC001610558442 1098752305 /nfs/dbraw/zinc/75/23/05/1098752305.db2.gz SQYQLOXQXGDBRT-UHFFFAOYSA-N -1 0 327.365 2.957 20 30 EFEDRM Cc1nc2scc(C3CC3)n2c1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001610562106 1098756315 /nfs/dbraw/zinc/75/63/15/1098756315.db2.gz ZQLMGZGDYVDKPV-UHFFFAOYSA-N -1 0 344.440 2.772 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610567388 1098758420 /nfs/dbraw/zinc/75/84/20/1098758420.db2.gz UCYBGQFDAOLIQX-OAHLLOKOSA-N -1 0 341.367 2.801 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610578541 1098763651 /nfs/dbraw/zinc/76/36/51/1098763651.db2.gz QTIOHVZGDCQDBV-IAQYHMDHSA-N -1 0 326.352 2.522 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CN1C(=O)CS/C1=C\C(=O)C(C)(C)C ZINC001610578671 1098764013 /nfs/dbraw/zinc/76/40/13/1098764013.db2.gz XIGZGDWCGKMTPC-NSIKDUERSA-N -1 0 337.397 2.818 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001610578462 1098764047 /nfs/dbraw/zinc/76/40/47/1098764047.db2.gz LRQLLZSADQOHIX-UHFFFAOYSA-N -1 0 348.305 2.855 20 30 EFEDRM Cc1sc([C@@H]2CCCN2Cc2ccncc2C#N)nc1C(=O)[O-] ZINC001610591647 1098771921 /nfs/dbraw/zinc/77/19/21/1098771921.db2.gz IWIABONLAOMJAT-ZDUSSCGKSA-N -1 0 328.397 2.754 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)NCC(C)(C)C#N)nc1C(=O)[O-] ZINC001610592142 1098773310 /nfs/dbraw/zinc/77/33/10/1098773310.db2.gz PJHZYCIYSLFUHQ-SNVBAGLBSA-N -1 0 336.417 2.546 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)NCC2(C#N)CCC2)nc1C(=O)[O-] ZINC001610592196 1098774021 /nfs/dbraw/zinc/77/40/21/1098774021.db2.gz QMTCFWUJWHMHNH-NSHDSACASA-N -1 0 348.428 2.690 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC001610617985 1098785680 /nfs/dbraw/zinc/78/56/80/1098785680.db2.gz SRJWKKAFBVMEDF-UHFFFAOYSA-N -1 0 342.395 2.839 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001610617452 1098785997 /nfs/dbraw/zinc/78/59/97/1098785997.db2.gz DXVLGROHARCDGE-UHFFFAOYSA-N -1 0 341.289 2.928 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC001610617682 1098786593 /nfs/dbraw/zinc/78/65/93/1098786593.db2.gz JNWUGRVCGOCTPE-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1(c2ccc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC001610620382 1098787708 /nfs/dbraw/zinc/78/77/08/1098787708.db2.gz NAKNXFGZHQABML-KRWDZBQOSA-N -1 0 334.375 2.840 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cccc2cccc(Br)c21 ZINC001610622393 1098787832 /nfs/dbraw/zinc/78/78/32/1098787832.db2.gz FVRZSMARQUYQQD-UHFFFAOYSA-N -1 0 347.168 2.653 20 30 EFEDRM N#CCOc1ccc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001610623454 1098788763 /nfs/dbraw/zinc/78/87/63/1098788763.db2.gz PSEMACPPIVQYLV-UHFFFAOYSA-N -1 0 341.323 2.696 20 30 EFEDRM N#CCc1ccccc1CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001610624228 1098789012 /nfs/dbraw/zinc/78/90/12/1098789012.db2.gz IHXUIGWVRXEZJN-UHFFFAOYSA-N -1 0 336.391 2.799 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001610624245 1098789131 /nfs/dbraw/zinc/78/91/31/1098789131.db2.gz JKDOIJOJDAGGMO-UHFFFAOYSA-N -1 0 345.305 2.780 20 30 EFEDRM N#Cc1c[nH]c(C(=O)OCc2c(Br)cccc2C(=O)[O-])c1 ZINC001610624141 1098789324 /nfs/dbraw/zinc/78/93/24/1098789324.db2.gz KNNJMRINEQTNNO-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001610624619 1098789427 /nfs/dbraw/zinc/78/94/27/1098789427.db2.gz WPXSZZXDHRAGPD-IBGZPJMESA-N -1 0 334.375 2.506 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3nccnc3c2)cccc1C(=O)[O-] ZINC001610625237 1098791253 /nfs/dbraw/zinc/79/12/53/1098791253.db2.gz PCQDLHLMYVCNPA-UHFFFAOYSA-N -1 0 333.303 2.557 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c[nH]1 ZINC001610624877 1098791267 /nfs/dbraw/zinc/79/12/67/1098791267.db2.gz CWDHVPSERQPMLM-SUMWQHHRSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(Cl)cc(F)c2N)cccc1C(=O)[O-] ZINC001610625084 1098791338 /nfs/dbraw/zinc/79/13/38/1098791338.db2.gz MGRHITGMYPTIQT-UHFFFAOYSA-N -1 0 348.717 2.988 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c[nH]1 ZINC001610624876 1098791557 /nfs/dbraw/zinc/79/15/57/1098791557.db2.gz CWDHVPSERQPMLM-GUYCJALGSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC001610627152 1098792111 /nfs/dbraw/zinc/79/21/11/1098792111.db2.gz AGZSGIZCHWNZON-QGZVFWFLSA-N -1 0 334.375 2.574 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC001610626971 1098792282 /nfs/dbraw/zinc/79/22/82/1098792282.db2.gz DNAYCHGPLOQAJS-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC001610627576 1098792306 /nfs/dbraw/zinc/79/23/06/1098792306.db2.gz LVUZSRHEUROWKD-GOSISDBHSA-N -1 0 348.358 2.611 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c[nH]c(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC001610627225 1098792321 /nfs/dbraw/zinc/79/23/21/1098792321.db2.gz CDCDMDIXERHMAT-GFCCVEGCSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001610627864 1098792837 /nfs/dbraw/zinc/79/28/37/1098792837.db2.gz SQYVWNSKVFYIKL-KRWDZBQOSA-N -1 0 340.354 2.615 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2Br)o1 ZINC001610627721 1098793058 /nfs/dbraw/zinc/79/30/58/1098793058.db2.gz FWKWUGKFQVNGOD-UHFFFAOYSA-N -1 0 335.157 2.902 20 30 EFEDRM N#Cc1cccc(NC(=O)CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001610631045 1098793580 /nfs/dbraw/zinc/79/35/80/1098793580.db2.gz MQCKHUYUDUNSOR-ROUUACIJSA-N -1 0 349.390 2.787 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001610629504 1098794051 /nfs/dbraw/zinc/79/40/51/1098794051.db2.gz QFVNYZHBUKKBFU-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610631109 1098794411 /nfs/dbraw/zinc/79/44/11/1098794411.db2.gz IQKXFIYNZMOQSJ-QGZVFWFLSA-N -1 0 335.363 2.994 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3CCc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC001610631342 1098794459 /nfs/dbraw/zinc/79/44/59/1098794459.db2.gz BFOUEFAOMLJXIV-UHFFFAOYSA-N -1 0 332.359 2.877 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2nc(Cl)ccc2F)C(=O)[O-])c1 ZINC001610631940 1098795235 /nfs/dbraw/zinc/79/52/35/1098795235.db2.gz NDANIBIIEIKZKA-CYBMUJFWSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1Cl ZINC001610631521 1098795307 /nfs/dbraw/zinc/79/53/07/1098795307.db2.gz QOCJXAJFLMJTOB-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM O=C([O-])[C@H](CC(F)F)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001610681645 1098825351 /nfs/dbraw/zinc/82/53/51/1098825351.db2.gz OSUCBICGUKLHGY-ZETCQYMHSA-N -1 0 347.186 2.822 20 30 EFEDRM O=C([O-])c1cncc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001610862478 1098942637 /nfs/dbraw/zinc/94/26/37/1098942637.db2.gz XVOVRIIUZFCORL-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 ZINC001610867347 1098945019 /nfs/dbraw/zinc/94/50/19/1098945019.db2.gz ZRXMBQPNNFSUIP-SNAWJCMRSA-N -1 0 345.326 2.850 20 30 EFEDRM N#Cc1c[n-]c(=O)n(Cc2cccc(SCc3ccccc3)c2)c1=O ZINC001613878516 1099110519 /nfs/dbraw/zinc/11/05/19/1099110519.db2.gz FFMHZOSWPPJBHJ-UHFFFAOYSA-N -1 0 349.415 2.749 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)Cc3ccc([S-])cc3)CC2)C1=O ZINC001270467203 1099117919 /nfs/dbraw/zinc/11/79/19/1099117919.db2.gz ZOSWFSJKDRIKCT-UHFFFAOYSA-N -1 0 344.480 2.545 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001626960625 1099940506 /nfs/dbraw/zinc/94/05/06/1099940506.db2.gz VXZRAYDETWNWDR-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234227 1100076840 /nfs/dbraw/zinc/07/68/40/1100076840.db2.gz NGKSUCYHNNKPEP-UHFFFAOYSA-N -1 0 326.355 2.544 20 30 EFEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234064 1100077238 /nfs/dbraw/zinc/07/72/38/1100077238.db2.gz RULTVFYEUXLGCZ-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000042234218 1100077923 /nfs/dbraw/zinc/07/79/23/1100077923.db2.gz HREBMALFJTWQMW-UHFFFAOYSA-N -1 0 334.353 2.791 20 30 EFEDRM Cn1[n-]c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc1=O ZINC001628412407 1100098433 /nfs/dbraw/zinc/09/84/33/1100098433.db2.gz YRNUILFDVMUGOH-UHFFFAOYSA-N -1 0 338.392 2.656 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000048418946 1100575887 /nfs/dbraw/zinc/57/58/87/1100575887.db2.gz CRLDKOPJICDLER-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM CC(C)n1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1-c1ccccc1 ZINC001640271053 1101031630 /nfs/dbraw/zinc/03/16/30/1101031630.db2.gz LVFJRNMZBVZUAS-UHFFFAOYSA-N -1 0 345.366 2.850 20 30 EFEDRM Cc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cccc1-c1ccccn1 ZINC001640270657 1101031729 /nfs/dbraw/zinc/03/17/29/1101031729.db2.gz HIZHATWVTXUITA-UHFFFAOYSA-N -1 0 328.335 2.776 20 30 EFEDRM Cn1c(Cl)cnc1C(C#N)=C([O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC001649249537 1101681593 /nfs/dbraw/zinc/68/15/93/1101681593.db2.gz RABCWSGQCZDQRA-RYUDHWBXSA-N -1 0 344.827 2.812 20 30 EFEDRM COCCCC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000069363599 1101701777 /nfs/dbraw/zinc/70/17/77/1101701777.db2.gz UDGYEXBJNHJUPS-UHFFFAOYSA-N -1 0 342.236 2.582 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001210089385 1102267913 /nfs/dbraw/zinc/26/79/13/1102267913.db2.gz NVMGAXJWEPVNTA-UHFFFAOYSA-N -1 0 343.195 2.643 20 30 EFEDRM CC[C@@H](NN=C1CCc2c1ccc(F)c2Br)C(=O)[O-] ZINC000834981475 1102382735 /nfs/dbraw/zinc/38/27/35/1102382735.db2.gz QHENMSWKQYJHOX-SNVBAGLBSA-N -1 0 329.169 2.691 20 30 EFEDRM C=C(C)C(=O)OCCNc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl ZINC001168076122 1102500061 /nfs/dbraw/zinc/50/00/61/1102500061.db2.gz DPEGQIPOHJJXNB-UHFFFAOYSA-N -1 0 336.775 2.980 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000783608241 1102541333 /nfs/dbraw/zinc/54/13/33/1102541333.db2.gz AWSFGEXFQSMNIX-BQYQJAHWSA-N -1 0 336.804 2.841 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000075779119 1102572950 /nfs/dbraw/zinc/57/29/50/1102572950.db2.gz BVQIZRAXNRFPIH-UHFFFAOYSA-N -1 0 339.392 2.859 20 30 EFEDRM Cc1sc2ncn(N=Cc3ccc([N+](=O)[O-])c([O-])c3)c(=O)c2c1C ZINC000748131767 1102663643 /nfs/dbraw/zinc/66/36/43/1102663643.db2.gz NTEATAXCCKHRQC-UHFFFAOYSA-N -1 0 344.352 2.571 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748132140 1102685985 /nfs/dbraw/zinc/68/59/85/1102685985.db2.gz QUPHORMRBYNTNZ-JQWIXIFHSA-N -1 0 336.417 2.677 20 30 EFEDRM Cc1cc(Br)ncc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785413080 1103550991 /nfs/dbraw/zinc/55/09/91/1103550991.db2.gz AQPCJYVTIHFWMG-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1sccc1C#N ZINC000906068277 1103880283 /nfs/dbraw/zinc/88/02/83/1103880283.db2.gz ICJCCYPFNDEKRJ-CQSZACIVSA-N -1 0 336.438 2.619 20 30 EFEDRM COc1ccsc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000906071763 1103882540 /nfs/dbraw/zinc/88/25/40/1103882540.db2.gz DTWZXTPYEPMWIU-UHFFFAOYSA-N -1 0 340.451 2.979 20 30 EFEDRM CO[C@@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000906072815 1103902502 /nfs/dbraw/zinc/90/25/02/1103902502.db2.gz LEVLRKICTAFFJP-JTQLQIEISA-N -1 0 328.459 2.665 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000906073392 1103903271 /nfs/dbraw/zinc/90/32/71/1103903271.db2.gz BYXADDORPXWWMZ-UWVGGRQHSA-N -1 0 328.459 2.694 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000906074120 1103905134 /nfs/dbraw/zinc/90/51/34/1103905134.db2.gz FZSNMAFLRMYQLQ-VIFPVBQESA-N -1 0 338.410 2.517 20 30 EFEDRM Cc1cc(N(C)C)ccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000841606787 1104166697 /nfs/dbraw/zinc/16/66/97/1104166697.db2.gz LKNZOTNAZYIBSR-UHFFFAOYSA-N -1 0 329.351 2.842 20 30 EFEDRM Cc1cc(COc2ccc(C=NN(C)C[C@H](C)O)cc2)oc1C(=O)[O-] ZINC000841650659 1104304888 /nfs/dbraw/zinc/30/48/88/1104304888.db2.gz HBQPYDYXBHOYFK-ZDUSSCGKSA-N -1 0 346.383 2.512 20 30 EFEDRM N#Cc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)nc1 ZINC001212173950 1104305578 /nfs/dbraw/zinc/30/55/78/1104305578.db2.gz OKOQJKMRIBJEIB-UHFFFAOYSA-N -1 0 327.250 2.534 20 30 EFEDRM C[C@H](O)CN(C)N=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000841652900 1104321042 /nfs/dbraw/zinc/32/10/42/1104321042.db2.gz OURVYENVLXPCFZ-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cn1 ZINC000093242511 1107132541 /nfs/dbraw/zinc/13/25/41/1107132541.db2.gz SLHXJUBFUXVUCU-ZHACJKMWSA-N -1 0 332.381 2.786 20 30 EFEDRM C[C@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)NC4CC4)cc3c2C1 ZINC000193462423 1107605196 /nfs/dbraw/zinc/60/51/96/1107605196.db2.gz JIQDYMFSYKTFPC-ZBEGNZNMSA-N -1 0 335.407 2.894 20 30 EFEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cn3c(n2)CCCC3)c1)C(=O)[O-] ZINC000905074396 1108397074 /nfs/dbraw/zinc/39/70/74/1108397074.db2.gz NTILOYQGKDESHK-YXVBKTCISA-N -1 0 340.379 2.967 20 30 EFEDRM COc1cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c(F)cc1C#N ZINC000905105925 1108406036 /nfs/dbraw/zinc/40/60/36/1108406036.db2.gz JWKBTVDHYBPMRM-LBPRGKRZSA-N -1 0 344.408 2.509 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905115994 1108414616 /nfs/dbraw/zinc/41/46/16/1108414616.db2.gz WHXINRLGHKVSOY-HLLBOEOZSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC000176403311 1108456697 /nfs/dbraw/zinc/45/66/97/1108456697.db2.gz PRSQYAMEZQZWOP-UHFFFAOYSA-N -1 0 336.376 2.964 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000176409950 1108469127 /nfs/dbraw/zinc/46/91/27/1108469127.db2.gz FRHVZEIHTLUMNE-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c(C2CC2)n1 ZINC000899340533 1109293334 /nfs/dbraw/zinc/29/33/34/1109293334.db2.gz FBBHGMUVJIJCNL-BQYQJAHWSA-N -1 0 326.352 2.657 20 30 EFEDRM CCn1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c(C)n1 ZINC000899351026 1109296548 /nfs/dbraw/zinc/29/65/48/1109296548.db2.gz XHMBACNSZUWJFM-XEHSLEBBSA-N -1 0 328.368 2.959 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c1)C(=O)[O-] ZINC000899350633 1109296817 /nfs/dbraw/zinc/29/68/17/1109296817.db2.gz KCYHTGOPZOLOLM-VMPCVLLUSA-N -1 0 340.379 2.657 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])c(C)o2)c1C ZINC000899366349 1109301576 /nfs/dbraw/zinc/30/15/76/1109301576.db2.gz LDJHDHVYIHRKIA-WAYWQWQTSA-N -1 0 332.356 2.642 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])c(C)o2)c1C ZINC000899366348 1109301668 /nfs/dbraw/zinc/30/16/68/1109301668.db2.gz LDJHDHVYIHRKIA-AATRIKPKSA-N -1 0 332.356 2.642 20 30 EFEDRM Cc1nn(C)c2sc(/C([O-])=N/S(=O)(=O)c3ccccc3)cc12 ZINC000042232443 1109344828 /nfs/dbraw/zinc/34/48/28/1109344828.db2.gz SIEJKHIXNKUVBY-UHFFFAOYSA-N -1 0 335.410 2.637 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000842323666 1109447822 /nfs/dbraw/zinc/44/78/22/1109447822.db2.gz OWDBEVXNCNIHFO-UONOGXRCSA-N -1 0 337.379 2.657 20 30 EFEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000899782190 1109473108 /nfs/dbraw/zinc/47/31/08/1109473108.db2.gz KNLJACRVSAIDEM-HMECXNKFSA-N -1 0 344.798 2.741 20 30 EFEDRM CCCCCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000842331436 1109504060 /nfs/dbraw/zinc/50/40/60/1109504060.db2.gz UODMJQZCLQYAFV-CQSZACIVSA-N -1 0 344.477 2.502 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000042324870 1109643963 /nfs/dbraw/zinc/64/39/63/1109643963.db2.gz KYIASMRJBMVSQN-UHFFFAOYSA-N -1 0 345.783 2.523 20 30 EFEDRM Cc1cc(COc2ccc(C=NN(C)[C@H](C)CO)cc2)oc1C(=O)[O-] ZINC000842540751 1111090596 /nfs/dbraw/zinc/09/05/96/1111090596.db2.gz MNPUBBIVECBFGC-CYBMUJFWSA-N -1 0 346.383 2.512 20 30 EFEDRM N#Cc1nc(NC(=O)c2occc2COc2ccccc2)[n-]c1C#N ZINC000914532650 1111241305 /nfs/dbraw/zinc/24/13/05/1111241305.db2.gz RDNSZAAAQNJOMF-UHFFFAOYSA-N -1 0 333.307 2.577 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)[n-]c1C#N ZINC000914532289 1111241500 /nfs/dbraw/zinc/24/15/00/1111241500.db2.gz DHMQSSROAHYHMV-UHFFFAOYSA-N -1 0 338.330 2.944 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2Cn2cncn2)c1 ZINC000914701866 1111333104 /nfs/dbraw/zinc/33/31/04/1111333104.db2.gz QEQBQUGQVFWIFA-NVMNQCDNSA-N -1 0 337.339 2.559 20 30 EFEDRM Cc1ccc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000901195140 1111965475 /nfs/dbraw/zinc/96/54/75/1111965475.db2.gz TXVPTULPIOXZBK-CYBMUJFWSA-N -1 0 346.412 2.697 20 30 EFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000916844437 1111991893 /nfs/dbraw/zinc/99/18/93/1111991893.db2.gz JFYIRMLTIWJJMA-GFCCVEGCSA-N -1 0 335.367 2.574 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000916870806 1111993506 /nfs/dbraw/zinc/99/35/06/1111993506.db2.gz NZEWXCKCYMHSIN-LBPRGKRZSA-N -1 0 334.372 2.516 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916894131 1111996955 /nfs/dbraw/zinc/99/69/55/1111996955.db2.gz PRGZPSKVDLRCHD-GFCCVEGCSA-N -1 0 339.317 2.872 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1COC ZINC000916920510 1111997465 /nfs/dbraw/zinc/99/74/65/1111997465.db2.gz LKTKJGCWVWWHBN-JTQLQIEISA-N -1 0 346.383 2.811 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916920059 1111997523 /nfs/dbraw/zinc/99/75/23/1111997523.db2.gz HKCWDJDLHSEKTI-LJQANCHMSA-N -1 0 328.371 2.711 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000916921667 1111998021 /nfs/dbraw/zinc/99/80/21/1111998021.db2.gz WSCDSMQCOHNWCL-KRWDZBQOSA-N -1 0 339.370 2.858 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000916922374 1111998116 /nfs/dbraw/zinc/99/81/16/1111998116.db2.gz XCEFTPONLKYGKX-INIZCTEOSA-N -1 0 340.404 2.952 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916927330 1111999249 /nfs/dbraw/zinc/99/92/49/1111999249.db2.gz RFUUNSSZHLHAHT-ZDUSSCGKSA-N -1 0 338.388 2.909 20 30 EFEDRM C[C@@H](Oc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cn1)c1ccccc1 ZINC000916927531 1112000723 /nfs/dbraw/zinc/00/07/23/1112000723.db2.gz LFWOYKBNEBPQPI-DYVFJYSZSA-N -1 0 349.390 2.823 20 30 EFEDRM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000901715784 1120640569 /nfs/dbraw/zinc/64/05/69/1120640569.db2.gz XITIVAVQRVLZQV-UHFFFAOYSA-N -1 0 330.822 2.851 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)COC3)cc1 ZINC000050204598 214049684 /nfs/dbraw/zinc/04/96/84/214049684.db2.gz CTFBWSBQBOGDFR-UHFFFAOYSA-N -1 0 347.392 2.809 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000191841264 529526611 /nfs/dbraw/zinc/52/66/11/529526611.db2.gz BFXDZQQEZQBJMT-UHFFFAOYSA-N -1 0 342.424 2.897 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1C#N ZINC000334018265 295688787 /nfs/dbraw/zinc/68/87/87/295688787.db2.gz KGQSNFLEBPXPOY-QFYYESIMSA-N -1 0 330.413 2.583 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Br)o1 ZINC000100871150 219110375 /nfs/dbraw/zinc/11/03/75/219110375.db2.gz GGOBRZPCVTUCSH-LLVKDONJSA-N -1 0 347.168 2.681 20 30 EFEDRM C=C(C)CN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000101382750 219125218 /nfs/dbraw/zinc/12/52/18/219125218.db2.gz OKVBIPMOJRJAHN-UHFFFAOYSA-N -1 0 331.441 2.743 20 30 EFEDRM CCCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1OC ZINC000103279957 219282555 /nfs/dbraw/zinc/28/25/55/219282555.db2.gz MRBDOJZUUDFEEJ-FZMUQLTDSA-N -1 0 344.363 2.712 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000103502665 219308393 /nfs/dbraw/zinc/30/83/93/219308393.db2.gz SOHRYLFWFCFVOC-LBPRGKRZSA-N -1 0 326.274 2.530 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(Cl)s2)nc1C ZINC000103664573 219319209 /nfs/dbraw/zinc/31/92/09/219319209.db2.gz RKGDZJRBESKOSF-SSDOTTSWSA-N -1 0 339.829 2.902 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435503748 535231511 /nfs/dbraw/zinc/23/15/11/535231511.db2.gz WRZBZEGFYHGHNC-UHFFFAOYSA-N -1 0 337.426 2.850 20 30 EFEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040129893 213270240 /nfs/dbraw/zinc/27/02/40/213270240.db2.gz LUXKGHPOVVENFT-UHFFFAOYSA-N -1 0 332.303 2.737 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000238032450 295989536 /nfs/dbraw/zinc/98/95/36/295989536.db2.gz ZNGBXNJEBGXFSR-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000262513475 240359233 /nfs/dbraw/zinc/35/92/33/240359233.db2.gz PILILCXSFUKOQR-AWEZNQCLSA-N -1 0 335.400 2.737 20 30 EFEDRM C#CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000262638856 240363310 /nfs/dbraw/zinc/36/33/10/240363310.db2.gz POUTVNPTWWYEGY-UHFFFAOYSA-N -1 0 330.340 2.701 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000262707563 240364523 /nfs/dbraw/zinc/36/45/23/240364523.db2.gz KBIRIVBTSYJBRJ-UHFFFAOYSA-N -1 0 345.399 2.824 20 30 EFEDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130398146 223149520 /nfs/dbraw/zinc/14/95/20/223149520.db2.gz ISFQEQUUCIZCDZ-SECBINFHSA-N -1 0 347.300 2.989 20 30 EFEDRM Cn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000159923480 239038431 /nfs/dbraw/zinc/03/84/31/239038431.db2.gz ZRHUBAUSZMWQMR-ZDUSSCGKSA-N -1 0 333.376 2.905 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2CCCCCCC2)c1 ZINC000174147251 239219318 /nfs/dbraw/zinc/21/93/18/239219318.db2.gz SLPTXGCUJWBTHG-UHFFFAOYSA-N -1 0 334.441 2.865 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1Cl ZINC000176354890 239315299 /nfs/dbraw/zinc/31/52/99/239315299.db2.gz PSWWZPOYMDMDFU-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000191269968 239982349 /nfs/dbraw/zinc/98/23/49/239982349.db2.gz YKBLCJMEOHONTC-UHFFFAOYSA-N -1 0 332.331 2.513 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000194747362 240173392 /nfs/dbraw/zinc/17/33/92/240173392.db2.gz UETZAARZFKHDFC-LLVKDONJSA-N -1 0 349.437 2.581 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000238001400 240249377 /nfs/dbraw/zinc/24/93/77/240249377.db2.gz YTJGWLYZUCJDIZ-KRWDZBQOSA-N -1 0 325.364 2.677 20 30 EFEDRM C=CCOCCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000238199360 240250093 /nfs/dbraw/zinc/25/00/93/240250093.db2.gz RTYOMUZHZDHOHI-UHFFFAOYSA-N -1 0 342.395 2.734 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cn1 ZINC000195438828 240225347 /nfs/dbraw/zinc/22/53/47/240225347.db2.gz DEWKDIUXIBIFQX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000237457958 240244063 /nfs/dbraw/zinc/24/40/63/240244063.db2.gz ARPKLFPRXAQJOV-VIFPVBQESA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC000262799556 240370308 /nfs/dbraw/zinc/37/03/08/240370308.db2.gz CNFMRGFBBRUAOH-NSHDSACASA-N -1 0 343.221 2.981 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1Cl)C(=O)[O-] ZINC000262803876 240371007 /nfs/dbraw/zinc/37/10/07/240371007.db2.gz CWYRZFIMGMSMRJ-WCQYABFASA-N -1 0 325.792 2.951 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262930114 240374976 /nfs/dbraw/zinc/37/49/76/240374976.db2.gz OUGPHGLJPVAKBV-SNVBAGLBSA-N -1 0 346.261 2.763 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262915392 240375528 /nfs/dbraw/zinc/37/55/28/240375528.db2.gz FSQMEXGDSDCNID-LSDHHAIUSA-N -1 0 339.819 2.852 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263174669 240379658 /nfs/dbraw/zinc/37/96/58/240379658.db2.gz ZAHBFNFSXYEKCA-OAHLLOKOSA-N -1 0 337.441 2.674 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263133646 240381326 /nfs/dbraw/zinc/38/13/26/240381326.db2.gz WEBDLEHPDLEQRY-MRXNPFEDSA-N -1 0 333.428 2.689 20 30 EFEDRM N#C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000263443585 240382383 /nfs/dbraw/zinc/38/23/83/240382383.db2.gz FGDDRAGSXUOWDF-LJQANCHMSA-N -1 0 335.407 2.595 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000263346039 240382572 /nfs/dbraw/zinc/38/25/72/240382572.db2.gz GOHADDGGPLJDOO-YJBOKZPZSA-N -1 0 329.400 2.928 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263373537 240383688 /nfs/dbraw/zinc/38/36/88/240383688.db2.gz WBTPGKAFMIENBX-DZGCQCFKSA-N -1 0 332.400 2.504 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000263333409 240383807 /nfs/dbraw/zinc/38/38/07/240383807.db2.gz QJQMBTBETGSWBT-QWHCGFSZSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000263528386 240384586 /nfs/dbraw/zinc/38/45/86/240384586.db2.gz LFQMCELBRHSMRP-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263464952 240385291 /nfs/dbraw/zinc/38/52/91/240385291.db2.gz FWMLGVJGTAICSU-NEPJUHHUSA-N -1 0 333.413 2.877 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000263514924 240385738 /nfs/dbraw/zinc/38/57/38/240385738.db2.gz DJMONMNXANUDQA-CYBMUJFWSA-N -1 0 345.317 2.706 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000261723826 240319396 /nfs/dbraw/zinc/31/93/96/240319396.db2.gz RBMQHSONUQUYPP-OAHLLOKOSA-N -1 0 343.301 2.731 20 30 EFEDRM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000295665872 241059900 /nfs/dbraw/zinc/05/99/00/241059900.db2.gz AVXKMBVNKZNOLJ-NSHDSACASA-N -1 0 340.804 2.542 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000310896785 241203673 /nfs/dbraw/zinc/20/36/73/241203673.db2.gz MAVCURWDDLWVMJ-MRVPVSSYSA-N -1 0 335.198 2.941 20 30 EFEDRM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000328917995 241268477 /nfs/dbraw/zinc/26/84/77/241268477.db2.gz BCPIYHMXMMCVDF-YDHLFZDLSA-N -1 0 331.372 2.814 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000324897077 241205869 /nfs/dbraw/zinc/20/58/69/241205869.db2.gz HDTFQZLSFGIERF-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM O=C1C[C@@H](/C([O-])=N/Cc2cn3ccsc3n2)CN1C1CCCC1 ZINC000328957602 241277346 /nfs/dbraw/zinc/27/73/46/241277346.db2.gz ZUQPPHVTOGKUQU-LLVKDONJSA-N -1 0 332.429 2.643 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000329174797 241317835 /nfs/dbraw/zinc/31/78/35/241317835.db2.gz LIJRWMPPVYFRCF-CBAPKCEASA-N -1 0 342.808 2.553 20 30 EFEDRM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)Nc1ccccc1Cl ZINC000329508662 241387087 /nfs/dbraw/zinc/38/70/87/241387087.db2.gz BBFQWLSZGJOSOT-UHFFFAOYSA-N -1 0 335.795 2.631 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000343306547 241801602 /nfs/dbraw/zinc/80/16/02/241801602.db2.gz VOZOLUWZVGACFD-NSHDSACASA-N -1 0 336.442 2.615 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccncn1 ZINC000354468789 242000643 /nfs/dbraw/zinc/00/06/43/242000643.db2.gz POZHIQNNUHYKSP-HNNXBMFYSA-N -1 0 347.353 2.780 20 30 EFEDRM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354471717 242000883 /nfs/dbraw/zinc/00/08/83/242000883.db2.gz TWIJGMIDYWHVEZ-CQSZACIVSA-N -1 0 346.346 2.836 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000355872875 242049859 /nfs/dbraw/zinc/04/98/59/242049859.db2.gz ZEIGKSKZRSZJRM-UHFFFAOYSA-N -1 0 338.392 2.944 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cnn1CC(C)C ZINC000355868438 242051087 /nfs/dbraw/zinc/05/10/87/242051087.db2.gz OPJCFMURXNCRHJ-UHFFFAOYSA-N -1 0 332.429 2.714 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356020624 242057877 /nfs/dbraw/zinc/05/78/77/242057877.db2.gz GSMJUPANJYYWKA-UHFFFAOYSA-N -1 0 336.351 2.994 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356021225 242058920 /nfs/dbraw/zinc/05/89/20/242058920.db2.gz IIKHFIKBRRDFMW-HNNXBMFYSA-N -1 0 347.378 2.888 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cc3cc(Cl)ccn3n2)nc(C)n1 ZINC000355102692 242020699 /nfs/dbraw/zinc/02/06/99/242020699.db2.gz RVAIQPSHTXANMM-ZDUSSCGKSA-N -1 0 325.759 2.885 20 30 EFEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1cnc2ccccc2n1 ZINC000355402244 242032785 /nfs/dbraw/zinc/03/27/85/242032785.db2.gz BDQXCPBJBQRBTA-LBPRGKRZSA-N -1 0 340.346 2.905 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000355470254 242034692 /nfs/dbraw/zinc/03/46/92/242034692.db2.gz GVRDUOTWFJKZPU-UHFFFAOYSA-N -1 0 329.805 2.709 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCc3ccccc3NC2=O)s1 ZINC000358319233 242117775 /nfs/dbraw/zinc/11/77/75/242117775.db2.gz FRMRTYOHDSZENY-LBPRGKRZSA-N -1 0 332.454 2.604 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@@H](CC)c2ccc(F)cc2)s1 ZINC000358743988 242132024 /nfs/dbraw/zinc/13/20/24/242132024.db2.gz QORYWJOJNNWYMM-LBPRGKRZSA-N -1 0 341.433 2.622 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCO[C@H]2C(C)(C)C)n[n-]c1=Nc1cnn(C)c1 ZINC000359113168 242142631 /nfs/dbraw/zinc/14/26/31/242142631.db2.gz FGYUFYWJOJZGGG-LSDHHAIUSA-N -1 0 344.463 2.672 20 30 EFEDRM C=C(C)Cn1c([C@H](C)OCCOC)n[n-]c1=Nc1cccc(OC)c1 ZINC000359249165 242145319 /nfs/dbraw/zinc/14/53/19/242145319.db2.gz ZXNFLBJWTXPNBW-AWEZNQCLSA-N -1 0 346.431 2.752 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000359479803 242153659 /nfs/dbraw/zinc/15/36/59/242153659.db2.gz HSFZXWBTFDNNKK-UHFFFAOYSA-N -1 0 327.413 2.785 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCCN(CC(C)(C)C)C2=O)s1 ZINC000359644476 242160016 /nfs/dbraw/zinc/16/00/16/242160016.db2.gz YPJSMDUDQDZUQW-LLVKDONJSA-N -1 0 340.518 2.687 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3cc[nH]c3n2)n1 ZINC000360124020 242186016 /nfs/dbraw/zinc/18/60/16/242186016.db2.gz JJCDCSGZFQNNJP-JTQLQIEISA-N -1 0 340.364 2.686 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nnc(-c3ccccn3)s2)s1 ZINC000360879652 242212729 /nfs/dbraw/zinc/21/27/29/242212729.db2.gz JXODCDSPLTXVNV-UHFFFAOYSA-N -1 0 334.455 2.623 20 30 EFEDRM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1cnc2ccccc2n1 ZINC000361532863 242224376 /nfs/dbraw/zinc/22/43/76/242224376.db2.gz ZXNICDQMXYWSKA-NSHDSACASA-N -1 0 330.303 2.967 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1C#N ZINC000361678361 242230101 /nfs/dbraw/zinc/23/01/01/242230101.db2.gz NTQRRQBUTNCWQW-LBPRGKRZSA-N -1 0 333.376 2.905 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000362585382 242259584 /nfs/dbraw/zinc/25/95/84/242259584.db2.gz BLRZWTURHSUWRY-NSHDSACASA-N -1 0 336.438 2.853 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000362680943 242261762 /nfs/dbraw/zinc/26/17/62/242261762.db2.gz LAARFRNZRHOPDN-LBPRGKRZSA-N -1 0 341.354 2.749 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000362811842 242268412 /nfs/dbraw/zinc/26/84/12/242268412.db2.gz FJZDZVAQIRJQAK-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1C(F)F ZINC000414387768 244124468 /nfs/dbraw/zinc/12/44/68/244124468.db2.gz WWNZGYLIMRVLKS-UHFFFAOYSA-N -1 0 340.355 2.533 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000414602796 244249357 /nfs/dbraw/zinc/24/93/57/244249357.db2.gz UITVYGBDDNMEFW-UHFFFAOYSA-N -1 0 342.317 2.563 20 30 EFEDRM C#CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000262488322 244998343 /nfs/dbraw/zinc/99/83/43/244998343.db2.gz VUUIYDIWDWZBAV-PVAVHDDUSA-N -1 0 327.380 2.557 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262950616 245266624 /nfs/dbraw/zinc/26/66/24/245266624.db2.gz HGPXQJFFCGYITL-HZMBPMFUSA-N -1 0 341.791 2.572 20 30 EFEDRM CN(Cc1ccco1)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418899470 245310578 /nfs/dbraw/zinc/31/05/78/245310578.db2.gz LFEJRCZMEYLJIW-UHFFFAOYSA-N -1 0 344.415 2.594 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000263178376 245352724 /nfs/dbraw/zinc/35/27/24/245352724.db2.gz ZIZAODRJHRQSHZ-JSGCOSHPSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422585537 246395707 /nfs/dbraw/zinc/39/57/07/246395707.db2.gz HJWCRVYIUVRTSK-UHFFFAOYSA-N -1 0 344.411 2.918 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1OC ZINC000424256274 246708143 /nfs/dbraw/zinc/70/81/43/246708143.db2.gz MKZUWCYIOBYBPA-MLGOLLRUSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CCCn1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)nn1 ZINC000425260696 247020617 /nfs/dbraw/zinc/02/06/17/247020617.db2.gz VIJQPIPPHAZBEA-HNNXBMFYSA-N -1 0 348.447 2.788 20 30 EFEDRM COCc1nocc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000425330977 247045896 /nfs/dbraw/zinc/04/58/96/247045896.db2.gz SRVXBKWTSMXYFL-SECBINFHSA-N -1 0 325.246 2.725 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000425683815 247167471 /nfs/dbraw/zinc/16/74/71/247167471.db2.gz MIHWBWQQSMULDD-MNOVXSKESA-N -1 0 345.428 2.764 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427327234 247337914 /nfs/dbraw/zinc/33/79/14/247337914.db2.gz KRTAGOGNCHGFEK-JTQLQIEISA-N -1 0 336.392 2.974 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427352142 247340143 /nfs/dbraw/zinc/34/01/43/247340143.db2.gz LMMJJHIFVLQRNG-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2cc(C(=O)OC)oc2CC)s1 ZINC000427120153 247319922 /nfs/dbraw/zinc/31/99/22/247319922.db2.gz AEOGREKOTPXAMO-UHFFFAOYSA-N -1 0 339.442 2.792 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1F ZINC000427782458 247394904 /nfs/dbraw/zinc/39/49/04/247394904.db2.gz VEHFXONDFYYDMR-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC(C)n1nc2c(c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000427796434 247396083 /nfs/dbraw/zinc/39/60/83/247396083.db2.gz HUMAHHXHSBIGEX-UHFFFAOYSA-N -1 0 348.403 2.764 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1F ZINC000427804059 247396498 /nfs/dbraw/zinc/39/64/98/247396498.db2.gz XFTHMSLYXRPVBH-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc2cccnc21 ZINC000427646603 247377751 /nfs/dbraw/zinc/37/77/51/247377751.db2.gz IQXXNAORMHEVPI-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435474134 248244797 /nfs/dbraw/zinc/24/47/97/248244797.db2.gz LXRNDSHMVJYKMC-UHFFFAOYSA-N -1 0 330.337 2.707 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435476774 248245598 /nfs/dbraw/zinc/24/55/98/248245598.db2.gz JFHBQZDNEIDRMK-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)s1 ZINC000435502382 248245848 /nfs/dbraw/zinc/24/58/48/248245848.db2.gz RELSKWRXCHETJT-UHFFFAOYSA-N -1 0 347.421 2.547 20 30 EFEDRM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435485329 248246052 /nfs/dbraw/zinc/24/60/52/248246052.db2.gz VOOAOKGUDLYPDR-UHFFFAOYSA-N -1 0 342.373 2.577 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)n[nH]2)o1 ZINC000435503851 248247220 /nfs/dbraw/zinc/24/72/20/248247220.db2.gz DSXUEYTVXWWZCN-UHFFFAOYSA-N -1 0 334.382 2.712 20 30 EFEDRM COc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])ccc1C#N ZINC000442336498 250078046 /nfs/dbraw/zinc/07/80/46/250078046.db2.gz PZBNDBSJWBKVRJ-HYXAFXHYSA-N -1 0 325.280 2.739 20 30 EFEDRM CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)c(OC)c1 ZINC000442640360 250093542 /nfs/dbraw/zinc/09/35/42/250093542.db2.gz AXYBKSSLUZHZBY-UHFFFAOYSA-N -1 0 326.352 2.948 20 30 EFEDRM Cc1nc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2)cs1 ZINC000443315964 250183970 /nfs/dbraw/zinc/18/39/70/250183970.db2.gz OLDQQLLGXYGJHS-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM N#Cc1nc(Sc2n[n-]c(=NC3CC3)s2)ccc1C(F)(F)F ZINC000443442227 250194464 /nfs/dbraw/zinc/19/44/64/250194464.db2.gz WNDHPWCFKBQCDG-UHFFFAOYSA-N -1 0 343.359 2.971 20 30 EFEDRM Cc1nc(=NC(=O)c2cn(CCCC#N)c3ccccc23)s[n-]1 ZINC000444300368 250284351 /nfs/dbraw/zinc/28/43/51/250284351.db2.gz ZQCNTGKVUMVDDN-UHFFFAOYSA-N -1 0 325.397 2.779 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000238200280 304255535 /nfs/dbraw/zinc/25/55/35/304255535.db2.gz KUTPURLMZPVWQH-GOSISDBHSA-N -1 0 335.359 2.902 20 30 EFEDRM CC#CCSc1nc([O-])c(CC)c(=O)n1-c1ccc(OC)cc1 ZINC000463260521 255978082 /nfs/dbraw/zinc/97/80/82/255978082.db2.gz RDORYQGBCJTOFR-UHFFFAOYSA-N -1 0 330.409 2.625 20 30 EFEDRM COCCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F ZINC000188364001 269741893 /nfs/dbraw/zinc/74/18/93/269741893.db2.gz MZVCJHOJPQVNLP-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263484951 141397977 /nfs/dbraw/zinc/39/79/77/141397977.db2.gz PAWHVPCDWCNQDM-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#Cc1ccc(CN(C(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000263485887 141398410 /nfs/dbraw/zinc/39/84/10/141398410.db2.gz PIVLJLBUEXBWPM-UHFFFAOYSA-N -1 0 341.411 2.876 20 30 EFEDRM CCOc1ccc(CNS(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000344831670 142085255 /nfs/dbraw/zinc/08/52/55/142085255.db2.gz WWOMWXIBLMTBLA-UHFFFAOYSA-N -1 0 340.788 2.682 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)Nc2ncccc2[O-])c1C#N ZINC000344960830 142103711 /nfs/dbraw/zinc/10/37/11/142103711.db2.gz FJIFNVRYQNFFIJ-UHFFFAOYSA-N -1 0 326.381 2.905 20 30 EFEDRM N#Cc1ccccc1COc1cccc(C(=O)N=c2cccn[n-]2)c1 ZINC000346051029 142139689 /nfs/dbraw/zinc/13/96/89/142139689.db2.gz FHXKGXMLSPBYHU-UHFFFAOYSA-N -1 0 330.347 2.601 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1CC(C)C ZINC000346485692 142210648 /nfs/dbraw/zinc/21/06/48/142210648.db2.gz PNRKZZSVPMXDQX-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cn1 ZINC000347435402 142215688 /nfs/dbraw/zinc/21/56/88/142215688.db2.gz XDKVHIMCTPYSHX-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cn1 ZINC000350032201 142392154 /nfs/dbraw/zinc/39/21/54/142392154.db2.gz BPISAUZTLNLCIP-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)o1 ZINC000340947369 144959083 /nfs/dbraw/zinc/95/90/83/144959083.db2.gz GXTNUKSWCKOBSZ-UHFFFAOYSA-N -1 0 333.152 2.964 20 30 EFEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340972822 144964430 /nfs/dbraw/zinc/96/44/30/144964430.db2.gz PIONSZGMXJGECN-UHFFFAOYSA-N -1 0 334.401 2.962 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)o1 ZINC000340971193 144964625 /nfs/dbraw/zinc/96/46/25/144964625.db2.gz WBJBYNXWDLHBDJ-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cc(F)cc3cccnc32)[n-]1 ZINC000341412666 145048281 /nfs/dbraw/zinc/04/82/81/145048281.db2.gz ALARQFWMAMGQRU-UHFFFAOYSA-N -1 0 337.358 2.871 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)o1 ZINC000342454692 145129610 /nfs/dbraw/zinc/12/96/10/145129610.db2.gz VPZLPNAXPNMIRG-UHFFFAOYSA-N -1 0 334.401 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)o1 ZINC000342567925 145150465 /nfs/dbraw/zinc/15/04/65/145150465.db2.gz KYJFYEIWBVBUIW-UHFFFAOYSA-N -1 0 333.300 2.746 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000342589308 145154786 /nfs/dbraw/zinc/15/47/86/145154786.db2.gz BDKIWTDVQOXJGP-CZUORRHYSA-N -1 0 348.374 2.746 20 30 EFEDRM CCCC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000347344231 145845379 /nfs/dbraw/zinc/84/53/79/145845379.db2.gz KYPKXIFECABBJT-CQSZACIVSA-N -1 0 349.456 2.730 20 30 EFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000348776005 146000037 /nfs/dbraw/zinc/00/00/37/146000037.db2.gz OOFIOLMIYSYCTC-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM Cc1ccccc1-n1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)nn1 ZINC000352040356 146273816 /nfs/dbraw/zinc/27/38/16/146273816.db2.gz OITVOHUOFWTPPZ-CLFYSBASSA-N -1 0 331.335 2.711 20 30 EFEDRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000355824027 147074754 /nfs/dbraw/zinc/07/47/54/147074754.db2.gz YFWBYVUPTRYERQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c(F)c1 ZINC000355995392 147117810 /nfs/dbraw/zinc/11/78/10/147117810.db2.gz GOTKOGFNPFJHQT-UHFFFAOYSA-N -1 0 341.277 2.579 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c[nH]nc3c2)cc1C#N ZINC000356598169 147286645 /nfs/dbraw/zinc/28/66/45/147286645.db2.gz PBELDKTXGJHOGN-UHFFFAOYSA-N -1 0 325.353 2.509 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000358498080 147822509 /nfs/dbraw/zinc/82/25/09/147822509.db2.gz PIYNMIUBYWQGKM-NSHDSACASA-N -1 0 330.413 2.971 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000359721804 148171870 /nfs/dbraw/zinc/17/18/70/148171870.db2.gz YVSORGMRXGMZCZ-VXGBXAGGSA-N -1 0 326.787 2.976 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)ccc1Cl ZINC000359723796 148172137 /nfs/dbraw/zinc/17/21/37/148172137.db2.gz JWXGHULQTQYELB-JTQLQIEISA-N -1 0 344.802 2.949 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359728480 148173505 /nfs/dbraw/zinc/17/35/05/148173505.db2.gz XDOVINJDNAHMGK-UHFFFAOYSA-N -1 0 339.380 2.858 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1[N+](=O)[O-] ZINC000359837594 148203330 /nfs/dbraw/zinc/20/33/30/148203330.db2.gz UQGWTSRJWJVCJL-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2=O)cc1 ZINC000360157999 148286783 /nfs/dbraw/zinc/28/67/83/148286783.db2.gz WPTJMYJRWVYVEO-CQSZACIVSA-N -1 0 346.390 2.837 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2cccc(Br)c2)c1C#N ZINC000360454984 148365423 /nfs/dbraw/zinc/36/54/23/148365423.db2.gz LKIOMMCRVZMUPR-QMMMGPOBSA-N -1 0 333.189 2.516 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)ccc1C#N ZINC000373604225 151197333 /nfs/dbraw/zinc/19/73/33/151197333.db2.gz PBZQFSGTAMFTCJ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1ccccc1N1CCCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123421581 222274641 /nfs/dbraw/zinc/27/46/41/222274641.db2.gz HZKBPUVZWSPXPX-UHFFFAOYSA-N -1 0 339.370 2.755 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1C(C)C ZINC000092695707 544550699 /nfs/dbraw/zinc/55/06/99/544550699.db2.gz YDTNKUBCECSWSO-CYBMUJFWSA-N -1 0 326.404 2.580 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nccc(-c2ccco2)n1 ZINC000163258655 544833505 /nfs/dbraw/zinc/83/35/05/544833505.db2.gz JEHKKEPJHPXRJN-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170747844 544858997 /nfs/dbraw/zinc/85/89/97/544858997.db2.gz ORVQMKBABUWONR-UHFFFAOYSA-N -1 0 337.335 2.847 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(C)c1 ZINC000290516199 270024435 /nfs/dbraw/zinc/02/44/35/270024435.db2.gz IVBNBAAEVNMWIO-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290758998 270024736 /nfs/dbraw/zinc/02/47/36/270024736.db2.gz ZCUHYFLKRSQYBZ-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000326520567 270026188 /nfs/dbraw/zinc/02/61/88/270026188.db2.gz AFLYQJQNBRNCAE-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427212314 270028164 /nfs/dbraw/zinc/02/81/64/270028164.db2.gz KSTDTCLHERXGKX-UHFFFAOYSA-N -1 0 348.355 2.759 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000491623704 270031824 /nfs/dbraw/zinc/03/18/24/270031824.db2.gz GDGQNWQFHFGRCO-UHFFFAOYSA-N -1 0 337.404 2.656 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(F)c1 ZINC000527247195 270034705 /nfs/dbraw/zinc/03/47/05/270034705.db2.gz WPQNWARIDCNFEI-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(F)c1 ZINC000527247086 270034818 /nfs/dbraw/zinc/03/48/18/270034818.db2.gz IFRYEMJJOIGPTQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C ZINC000532341916 270035355 /nfs/dbraw/zinc/03/53/55/270035355.db2.gz LFUCRUKZQXTOCX-UHFFFAOYSA-N -1 0 348.428 2.844 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)[n-]1 ZINC000531577517 270035516 /nfs/dbraw/zinc/03/55/16/270035516.db2.gz UVITWOWEYIEXJW-UHFFFAOYSA-N -1 0 344.325 2.824 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc12 ZINC000534317183 270036658 /nfs/dbraw/zinc/03/66/58/270036658.db2.gz ACNZHJPKTSVSIJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)o1)O[C@H](C)C2 ZINC000288517430 266309855 /nfs/dbraw/zinc/30/98/55/266309855.db2.gz VSNJZDDRZLASGV-SNVBAGLBSA-N -1 0 348.380 2.674 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000292085287 267110057 /nfs/dbraw/zinc/11/00/57/267110057.db2.gz GFKYQINFKLEDCR-QMTHXVAHSA-N -1 0 343.324 2.729 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)c2ncc(C)cc2[O-])cc1C#N ZINC000495531340 267128966 /nfs/dbraw/zinc/12/89/66/267128966.db2.gz VKXZVVSFRLBIRW-UHFFFAOYSA-N -1 0 340.339 2.788 20 30 EFEDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000496421958 267130072 /nfs/dbraw/zinc/13/00/72/267130072.db2.gz VHFBUWDSCAVIDF-UHFFFAOYSA-N -1 0 335.341 2.520 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC000443404839 267173228 /nfs/dbraw/zinc/17/32/28/267173228.db2.gz HPRPBLCQZRJKPG-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187746827 267312063 /nfs/dbraw/zinc/31/20/63/267312063.db2.gz OXBFXARCAUVIDE-GFCCVEGCSA-N -1 0 330.413 2.835 20 30 EFEDRM COC(=O)N(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000492134915 267372631 /nfs/dbraw/zinc/37/26/31/267372631.db2.gz PXBGPSSLXSDTJA-UHFFFAOYSA-N -1 0 325.324 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cncc(Br)c1 ZINC000184753837 268048000 /nfs/dbraw/zinc/04/80/00/268048000.db2.gz MKHAPFKJXDRZBX-HNQUOIGGSA-N -1 0 330.141 2.979 20 30 EFEDRM Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c1 ZINC000491448743 268050291 /nfs/dbraw/zinc/05/02/91/268050291.db2.gz KLRHRUFXOXSORT-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2n1C ZINC000531199576 268078660 /nfs/dbraw/zinc/07/86/60/268078660.db2.gz KMIZOFRRDJVELZ-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM Cc1nc2ccc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)cc2nc1C ZINC000531830809 268079461 /nfs/dbraw/zinc/07/94/61/268079461.db2.gz OVLUMULEVXHZIP-UHFFFAOYSA-N -1 0 334.383 2.570 20 30 EFEDRM N#Cc1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000281815067 268106524 /nfs/dbraw/zinc/10/65/24/268106524.db2.gz JQMXEJVZFRIIMJ-UHFFFAOYSA-N -1 0 329.297 2.592 20 30 EFEDRM N#Cc1cc(Sc2n[n-]c(=NCc3ccc(F)cc3)s2)ncn1 ZINC000527380275 268191780 /nfs/dbraw/zinc/19/17/80/268191780.db2.gz OYHHOTHBHZAFAJ-UHFFFAOYSA-N -1 0 344.400 2.524 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCOCC3)s2)cc1 ZINC000296667653 268209021 /nfs/dbraw/zinc/20/90/21/268209021.db2.gz GLMREILHOQOYAY-UHFFFAOYSA-N -1 0 349.437 2.710 20 30 EFEDRM N#Cc1cccc(C=CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000492884424 268270821 /nfs/dbraw/zinc/27/08/21/268270821.db2.gz YOHZLDFBYOAWFV-FPLPWBNLSA-N -1 0 331.335 2.701 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000450983506 269638683 /nfs/dbraw/zinc/63/86/83/269638683.db2.gz QTFHMPGATXGLFZ-UHFFFAOYSA-N -1 0 330.822 2.851 20 30 EFEDRM O=C([O-])c1cnc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)cn1 ZINC000439936946 280073026 /nfs/dbraw/zinc/07/30/26/280073026.db2.gz WXNCWTNIGOPOAA-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM CC(=O)Nc1ccc(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329700588 280824388 /nfs/dbraw/zinc/82/43/88/280824388.db2.gz ZXPQUUWBJGGYMB-CQSZACIVSA-N -1 0 343.387 2.794 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935516 292761228 /nfs/dbraw/zinc/76/12/28/292761228.db2.gz ZDYLRTCTPRAUHN-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000125347015 293009399 /nfs/dbraw/zinc/00/93/99/293009399.db2.gz VTQSXPBPZUFRQJ-UHFFFAOYSA-N -1 0 344.371 2.802 20 30 EFEDRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1 ZINC000126794705 293049703 /nfs/dbraw/zinc/04/97/03/293049703.db2.gz UKOSWERBUVXAAV-UHFFFAOYSA-N -1 0 336.392 2.810 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(F)c1 ZINC000128019430 293088604 /nfs/dbraw/zinc/08/86/04/293088604.db2.gz YPFQZEHRHBJBBO-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000132616216 293232309 /nfs/dbraw/zinc/23/23/09/293232309.db2.gz JETNQJBHTDKXSQ-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)o1 ZINC000153809315 293395267 /nfs/dbraw/zinc/39/52/67/293395267.db2.gz FKFQOJVWHCNZBH-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM COc1ccc(=NC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)[n-]n1 ZINC000329149604 295064282 /nfs/dbraw/zinc/06/42/82/295064282.db2.gz YZMAMHFXRJFQCU-GFCCVEGCSA-N -1 0 346.362 2.675 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000263103172 297215224 /nfs/dbraw/zinc/21/52/24/297215224.db2.gz KEWUAYGNVAFIDT-DGCLKSJQSA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000263297600 297216319 /nfs/dbraw/zinc/21/63/19/297216319.db2.gz ZSLMTQQRNKPNND-NXEZZACHSA-N -1 0 331.322 2.932 20 30 EFEDRM C[C@@]1(NC(=O)CSCc2ccc(C#N)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000262777700 297911549 /nfs/dbraw/zinc/91/15/49/297911549.db2.gz LXASGTZFVHDUQL-CRAIPNDOSA-N -1 0 346.452 2.941 20 30 EFEDRM C[C@H](NC(=O)CC#N)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000357628855 299036872 /nfs/dbraw/zinc/03/68/72/299036872.db2.gz CBUPAUNWOYZDFD-NSHDSACASA-N -1 0 349.437 2.640 20 30 EFEDRM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856933 303159386 /nfs/dbraw/zinc/15/93/86/303159386.db2.gz ZXTSSFWMTSKMBL-CPCISQLKSA-N -1 0 327.153 2.716 20 30 EFEDRM N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005382604 303177555 /nfs/dbraw/zinc/17/75/55/303177555.db2.gz DNWRHFPOGGGALB-MMDVMMEASA-N -1 0 342.420 2.960 20 30 EFEDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137214602 310667983 /nfs/dbraw/zinc/66/79/83/310667983.db2.gz IRACIVRTQMOVOM-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1C#N ZINC000137251283 310668053 /nfs/dbraw/zinc/66/80/53/310668053.db2.gz GUGFNBGDIICJQA-UHFFFAOYSA-N -1 0 341.392 2.552 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cc1 ZINC000161031811 310705402 /nfs/dbraw/zinc/70/54/02/310705402.db2.gz AUHVOMMUBCCFKK-CQSZACIVSA-N -1 0 344.392 2.527 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)cc1 ZINC000172313584 310758858 /nfs/dbraw/zinc/75/88/58/310758858.db2.gz NJOHEWPXEFOSIM-ZHACJKMWSA-N -1 0 332.425 2.641 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000325584807 311243298 /nfs/dbraw/zinc/24/32/98/311243298.db2.gz WSLFDQNLTZHGFZ-ZDUSSCGKSA-N -1 0 330.384 2.619 20 30 EFEDRM Cn1cc(/C=C\c2cc(C(=O)[O-])ncn2)c(-c2ccc(C#N)cc2)n1 ZINC000539756875 317727440 /nfs/dbraw/zinc/72/74/40/317727440.db2.gz NKSGZSCIZXPBKZ-SREVYHEPSA-N -1 0 331.335 2.617 20 30 EFEDRM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC000547413984 318005296 /nfs/dbraw/zinc/00/52/96/318005296.db2.gz BCHJBYBSSUWXIY-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000547874124 318050531 /nfs/dbraw/zinc/05/05/31/318050531.db2.gz OTLZYGTZDZSAJA-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000548205365 318084356 /nfs/dbraw/zinc/08/43/56/318084356.db2.gz VKJANHHHBSUEIH-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c(F)c1 ZINC000554670187 318331924 /nfs/dbraw/zinc/33/19/24/318331924.db2.gz PSHFPSIGVKIRKD-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)cc3F)noc2c1 ZINC000559214687 318505071 /nfs/dbraw/zinc/50/50/71/318505071.db2.gz PBTBAIUYWYESKB-UHFFFAOYSA-N -1 0 347.327 2.648 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566238595 319051194 /nfs/dbraw/zinc/05/11/94/319051194.db2.gz CGGBPVSWKPELID-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ncc1C#N ZINC000570865438 319520431 /nfs/dbraw/zinc/52/04/31/319520431.db2.gz BHRZSJIREPFUSI-UHFFFAOYSA-N -1 0 329.425 2.683 20 30 EFEDRM N#Cc1nc(N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)ccc1C(F)(F)F ZINC000571461375 319576078 /nfs/dbraw/zinc/57/60/78/319576078.db2.gz JAVGKUUPLBNPHL-JTQLQIEISA-N -1 0 338.293 2.527 20 30 EFEDRM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F)OCO2 ZINC000572749806 319701212 /nfs/dbraw/zinc/70/12/12/319701212.db2.gz ZVLXOTIGOYTBLF-UHFFFAOYSA-N -1 0 334.328 2.535 20 30 EFEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F ZINC000574751062 319891472 /nfs/dbraw/zinc/89/14/72/319891472.db2.gz PNZLGELCCMATSE-UFBFGSQYSA-N -1 0 338.326 2.953 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc2n1CCCC2 ZINC000576346485 320007399 /nfs/dbraw/zinc/00/73/99/320007399.db2.gz WVIPHMSZWDKDGH-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM CN=c1[n-]nc(Sc2cc(Br)c(C#N)cc2F)s1 ZINC000576381671 320011156 /nfs/dbraw/zinc/01/11/56/320011156.db2.gz VEGRALBVSCCYQT-UHFFFAOYSA-N -1 0 345.222 2.926 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(C#N)o3)cccc12 ZINC000576734411 320043755 /nfs/dbraw/zinc/04/37/55/320043755.db2.gz GDRJCBNMXQFQQR-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)ccc1C#N ZINC000577702965 320134975 /nfs/dbraw/zinc/13/49/75/320134975.db2.gz VRIPKUDDNZKVIQ-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM COc1ccc(-n2cc([O-])c(C(=O)N(C)c3cccc(C#N)c3)n2)cc1 ZINC000180979082 323224052 /nfs/dbraw/zinc/22/40/52/323224052.db2.gz BFSVHMLCUOOKAA-UHFFFAOYSA-N -1 0 348.362 2.735 20 30 EFEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000181146266 323228628 /nfs/dbraw/zinc/22/86/28/323228628.db2.gz QZQPMKIOTZLDTD-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C)oc2c1 ZINC000184793885 323374777 /nfs/dbraw/zinc/37/47/77/323374777.db2.gz QTRXXQKYPADTQZ-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C1CC1 ZINC000579796660 324030561 /nfs/dbraw/zinc/03/05/61/324030561.db2.gz GRIKPUSMTMQUDL-UHFFFAOYSA-N -1 0 330.413 2.843 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cnn(-c3ccccc3)c2C(C)C)c1C#N ZINC000580610693 324196806 /nfs/dbraw/zinc/19/68/06/324196806.db2.gz NKQWZPMTZFWUAE-UHFFFAOYSA-N -1 0 334.383 2.573 20 30 EFEDRM N#Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)nc2ccc([N+](=O)[O-])cc12 ZINC000580630734 324201072 /nfs/dbraw/zinc/20/10/72/324201072.db2.gz CWQQDQAAPMHXQY-NSHDSACASA-N -1 0 340.339 2.706 20 30 EFEDRM N#Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)nc2ccc([N+](=O)[O-])cc12 ZINC000580630733 324201378 /nfs/dbraw/zinc/20/13/78/324201378.db2.gz CWQQDQAAPMHXQY-LLVKDONJSA-N -1 0 340.339 2.706 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ncc(C#N)cc3C)s2)cc1 ZINC000581086013 324302660 /nfs/dbraw/zinc/30/26/60/324302660.db2.gz PASSCANMKLYYMW-UHFFFAOYSA-N -1 0 349.419 2.687 20 30 EFEDRM CC[C@@H](C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000583206412 324761803 /nfs/dbraw/zinc/76/18/03/324761803.db2.gz MTJNGBJKIZFNBU-DOMZBBRYSA-N -1 0 334.441 2.797 20 30 EFEDRM Cc1sc2[nH]c([C@@H](C#N)C(=O)NC3CCCCC3)nc(=O)c2c1C ZINC000155445339 472550892 /nfs/dbraw/zinc/55/08/92/472550892.db2.gz DYFMUVBJCQLTCJ-GFCCVEGCSA-N -1 0 344.440 2.658 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCC1=O ZINC000095461484 473209103 /nfs/dbraw/zinc/20/91/03/473209103.db2.gz HDDXQEPLUUSFPR-NXEZZACHSA-N -1 0 329.805 2.991 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c(F)c1 ZINC000124124431 473213646 /nfs/dbraw/zinc/21/36/46/473213646.db2.gz ZOANXQKKYRCXMZ-OAHLLOKOSA-N -1 0 334.347 2.802 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c(Cl)c1 ZINC000095941014 473225980 /nfs/dbraw/zinc/22/59/80/473225980.db2.gz MNSPWYWOOKUCTM-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000184863201 473257499 /nfs/dbraw/zinc/25/74/99/473257499.db2.gz VHYMGAHJNYHPAJ-UHFFFAOYSA-N -1 0 335.784 2.764 20 30 EFEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184872802 473259624 /nfs/dbraw/zinc/25/96/24/473259624.db2.gz ONODTADWLNBQIE-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000184869361 473259673 /nfs/dbraw/zinc/25/96/73/473259673.db2.gz OYEYCWBAQUHGLV-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000184884151 473263686 /nfs/dbraw/zinc/26/36/86/473263686.db2.gz NOOBBECJNPHGBE-UHFFFAOYSA-N -1 0 341.410 2.725 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000177024703 473289159 /nfs/dbraw/zinc/28/91/59/473289159.db2.gz XAIKRKSANNLTFS-RYUDHWBXSA-N -1 0 343.452 2.742 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c(F)c1 ZINC000177123403 473311464 /nfs/dbraw/zinc/31/14/64/473311464.db2.gz XQVHRLBTEWSYPY-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000185109492 473329896 /nfs/dbraw/zinc/32/98/96/473329896.db2.gz IOMYUBYECWMMRF-UHFFFAOYSA-N -1 0 335.381 2.976 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000610725187 469052184 /nfs/dbraw/zinc/05/21/84/469052184.db2.gz LJIGQSDKOZRPQF-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000177299942 473351609 /nfs/dbraw/zinc/35/16/09/473351609.db2.gz WKWWZKQXFBYZRJ-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000171338959 473365815 /nfs/dbraw/zinc/36/58/15/473365815.db2.gz QPIAIGPEVCQEMB-UHFFFAOYSA-N -1 0 346.408 2.904 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(F)c1 ZINC000150854981 473368500 /nfs/dbraw/zinc/36/85/00/473368500.db2.gz KUOQVFAOBBRGFN-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000177499326 473389640 /nfs/dbraw/zinc/38/96/40/473389640.db2.gz RHIRNOHBAXBNNL-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000393733647 476836444 /nfs/dbraw/zinc/83/64/44/476836444.db2.gz CSRUPIWAHBCBLY-BBRMVZONSA-N -1 0 329.400 2.818 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000416960555 477387834 /nfs/dbraw/zinc/38/78/34/477387834.db2.gz QVTGYCUDBDLQLN-AWEZNQCLSA-N -1 0 332.429 2.841 20 30 EFEDRM CCN(CCC/N=C/c1c(O)c(C)ncc1CO)c1ccccc1 ZINC000005111392 471487175 /nfs/dbraw/zinc/48/71/75/471487175.db2.gz VJBHIHQMISVZNZ-DEDYPNTBSA-N -1 0 327.428 2.923 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)nc2)n1 ZINC000008428305 471688277 /nfs/dbraw/zinc/68/82/77/471688277.db2.gz XLKXZMZHKGFCSB-SNVBAGLBSA-N -1 0 335.772 2.533 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2[n-]c1=S ZINC000024579060 472060332 /nfs/dbraw/zinc/06/03/32/472060332.db2.gz IUDZCNHZDTZEIB-LBPRGKRZSA-N -1 0 343.452 2.886 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2SCC(N)=O)n1 ZINC000041516552 472066796 /nfs/dbraw/zinc/06/67/96/472066796.db2.gz VJQGOPAVNTWHSP-LLVKDONJSA-N -1 0 331.422 2.519 20 30 EFEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041546732 472068855 /nfs/dbraw/zinc/06/88/55/472068855.db2.gz YXRBWTDJVNOMJX-ZDUSSCGKSA-N -1 0 340.360 2.721 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)n1 ZINC000067894061 472106566 /nfs/dbraw/zinc/10/65/66/472106566.db2.gz DGWGOGPZKLQLPV-SECBINFHSA-N -1 0 332.385 2.656 20 30 EFEDRM Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026271295 472130105 /nfs/dbraw/zinc/13/01/05/472130105.db2.gz SRPOEKKAGWYFPM-UHFFFAOYSA-N -1 0 340.393 2.899 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)[n-]c1C#N ZINC000026274299 472130491 /nfs/dbraw/zinc/13/04/91/472130491.db2.gz NTBQKCDCKDEWET-UHFFFAOYSA-N -1 0 331.335 2.984 20 30 EFEDRM CCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000068232309 472154660 /nfs/dbraw/zinc/15/46/60/472154660.db2.gz ZXBUJTLBKRXKJH-UHFFFAOYSA-N -1 0 349.437 2.535 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000075555688 472156371 /nfs/dbraw/zinc/15/63/71/472156371.db2.gz UNARFSYQESCKRD-VIFPVBQESA-N -1 0 329.747 2.521 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cccc(F)c2)cc1C#N ZINC000027607043 472187373 /nfs/dbraw/zinc/18/73/73/472187373.db2.gz BJIFQNIXYVAYBM-UHFFFAOYSA-N -1 0 331.372 2.792 20 30 EFEDRM COc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc(OC)c1 ZINC000027607213 472187558 /nfs/dbraw/zinc/18/75/58/472187558.db2.gz ZDCWBWXKESPWQJ-UHFFFAOYSA-N -1 0 345.380 2.650 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)nc1 ZINC000076068420 472259379 /nfs/dbraw/zinc/25/93/79/472259379.db2.gz LTAJSBUWYXCLBQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283757 472316170 /nfs/dbraw/zinc/31/61/70/472316170.db2.gz KLWGVXXKMSAMNT-WDEREUQCSA-N -1 0 347.820 2.569 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000031722501 472390446 /nfs/dbraw/zinc/39/04/46/472390446.db2.gz FMRNXJAXOSWLJR-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(F)cc2F)cc1C#N ZINC000031906305 472401663 /nfs/dbraw/zinc/40/16/63/472401663.db2.gz BZLVNGVXMLYKND-UHFFFAOYSA-N -1 0 349.362 2.931 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc(Br)s1 ZINC000089286984 472406138 /nfs/dbraw/zinc/40/61/38/472406138.db2.gz ZECJCEPZQXISFF-GQCTYLIASA-N -1 0 336.232 2.996 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1c(C)nn(-c2ccccc2)c1C ZINC000089287018 472406234 /nfs/dbraw/zinc/40/62/34/472406234.db2.gz PMPGGBMYFCQNJD-ZHACJKMWSA-N -1 0 345.424 2.975 20 30 EFEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000076825556 472409500 /nfs/dbraw/zinc/40/95/00/472409500.db2.gz FUPAOTYKWVRDFY-CYBMUJFWSA-N -1 0 347.330 2.998 20 30 EFEDRM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc2ccccc2o1 ZINC000076843104 472413925 /nfs/dbraw/zinc/41/39/25/472413925.db2.gz XLCNOQPLELUZMD-HNNXBMFYSA-N -1 0 343.346 2.958 20 30 EFEDRM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc2ccccc2o1 ZINC000076843100 472414140 /nfs/dbraw/zinc/41/41/40/472414140.db2.gz XLCNOQPLELUZMD-OAHLLOKOSA-N -1 0 343.346 2.958 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000057734598 472468740 /nfs/dbraw/zinc/46/87/40/472468740.db2.gz MXNQAQZBGKUSPW-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000117740795 472478430 /nfs/dbraw/zinc/47/84/30/472478430.db2.gz CGGIEGWXMFEELD-UHFFFAOYSA-N -1 0 326.381 2.751 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000128669460 472481927 /nfs/dbraw/zinc/48/19/27/472481927.db2.gz UBUWRHIKSSZLTD-UHFFFAOYSA-N -1 0 333.319 2.703 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000045945455 472489298 /nfs/dbraw/zinc/48/92/98/472489298.db2.gz AEZFKXFYANGPOS-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000046015578 472496128 /nfs/dbraw/zinc/49/61/28/472496128.db2.gz JSSJESSHAOLMES-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3cccnc3)c2)C(=O)O1 ZINC000128833644 472502402 /nfs/dbraw/zinc/50/24/02/472502402.db2.gz YWAXQNBITZKLPB-UCFODXPJSA-N -1 0 333.343 2.977 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000097676451 472504713 /nfs/dbraw/zinc/50/47/13/472504713.db2.gz CBACRSHMSCTLIG-AWEZNQCLSA-N -1 0 343.383 2.937 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000070775222 472509933 /nfs/dbraw/zinc/50/99/33/472509933.db2.gz CXAJDECNRZZXOU-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000118984523 472517624 /nfs/dbraw/zinc/51/76/24/472517624.db2.gz RJXLXMMZNOZIMJ-UHFFFAOYSA-N -1 0 337.382 2.832 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCOCc2ccccc2)c1 ZINC000058267459 472529767 /nfs/dbraw/zinc/52/97/67/472529767.db2.gz NCBWBVCJEFPIEK-UHFFFAOYSA-N -1 0 349.408 2.947 20 30 EFEDRM C=C(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000119145201 472531521 /nfs/dbraw/zinc/53/15/21/472531521.db2.gz IWUZIRIMYVKCGQ-UHFFFAOYSA-N -1 0 325.173 2.756 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000058289561 472536945 /nfs/dbraw/zinc/53/69/45/472536945.db2.gz BNCVYNVYYFOBSG-UHFFFAOYSA-N -1 0 343.430 2.739 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1cc(C2CC2)n[nH]1 ZINC000071803830 472569818 /nfs/dbraw/zinc/56/98/18/472569818.db2.gz NPNNOEWOVWZZQQ-UHFFFAOYSA-N -1 0 342.380 2.529 20 30 EFEDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130303570 472596173 /nfs/dbraw/zinc/59/61/73/472596173.db2.gz CQBJUXKVTSBQTM-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000130292960 472596363 /nfs/dbraw/zinc/59/63/63/472596363.db2.gz VNVFHIFFINZJCO-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130310515 472596832 /nfs/dbraw/zinc/59/68/32/472596832.db2.gz QWECXUCATDPUJH-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)cc1 ZINC000130428141 472605504 /nfs/dbraw/zinc/60/55/04/472605504.db2.gz PFAMXYXRFCYPMI-UHFFFAOYSA-N -1 0 348.280 2.585 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)nc1Cl ZINC000119947792 472606683 /nfs/dbraw/zinc/60/66/83/472606683.db2.gz UDZRVLZDUGBFKO-UHFFFAOYSA-N -1 0 338.820 2.675 20 30 EFEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000103085729 472609887 /nfs/dbraw/zinc/60/98/87/472609887.db2.gz AALQEFUTGMVUFX-SUQGKYDKSA-N -1 0 344.363 2.712 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000071916514 472621065 /nfs/dbraw/zinc/62/10/65/472621065.db2.gz BUJHGRPHBFEAMW-UHFFFAOYSA-N -1 0 344.392 2.721 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000120239189 472655443 /nfs/dbraw/zinc/65/54/43/472655443.db2.gz FBUXFASNIZMGFX-UHFFFAOYSA-N -1 0 342.848 2.798 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCCCC#N)c2)C(=O)O1 ZINC000104077948 472655544 /nfs/dbraw/zinc/65/55/44/472655544.db2.gz IMTBIWCETHGYGN-JTHGQSKGSA-N -1 0 339.347 2.597 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(C)CCC3)cc2[n-]c1=S ZINC000156515295 472717653 /nfs/dbraw/zinc/71/76/53/472717653.db2.gz GKQGBVPAZBZFOW-UHFFFAOYSA-N -1 0 329.425 2.544 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120690061 472730871 /nfs/dbraw/zinc/73/08/71/472730871.db2.gz UXYIRRJIHPTUIQ-QMMMGPOBSA-N -1 0 349.206 2.600 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1F ZINC000105592138 472761743 /nfs/dbraw/zinc/76/17/43/472761743.db2.gz UDUFFTUYPNYPMK-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccn(C(C)C)n2)n1 ZINC000073091841 472770729 /nfs/dbraw/zinc/77/07/29/472770729.db2.gz VMCBALBDWZLAMA-JTQLQIEISA-N -1 0 332.385 2.587 20 30 EFEDRM CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017490 472783794 /nfs/dbraw/zinc/78/37/94/472783794.db2.gz GMYFHEGVEKHACJ-NEPJUHHUSA-N -1 0 337.401 2.714 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073266247 472790892 /nfs/dbraw/zinc/79/08/92/472790892.db2.gz DKZYMRYYJCBTBK-KKZNHRDASA-N -1 0 333.768 2.692 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000047992300 472795585 /nfs/dbraw/zinc/79/55/85/472795585.db2.gz OMTCTZJLFXRHDZ-UHFFFAOYSA-N -1 0 344.436 2.587 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(F)c1 ZINC000157429736 472819932 /nfs/dbraw/zinc/81/99/32/472819932.db2.gz VAPISNCRIMSXBH-UHFFFAOYSA-N -1 0 326.368 2.695 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1C ZINC000064478991 472858218 /nfs/dbraw/zinc/85/82/18/472858218.db2.gz QIYKDARHIBALBY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CCOc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427212 472876124 /nfs/dbraw/zinc/87/61/24/472876124.db2.gz VFXCAEAHKBNHEB-UHFFFAOYSA-N -1 0 341.410 2.871 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)cc1 ZINC000048452453 472879914 /nfs/dbraw/zinc/87/99/14/472879914.db2.gz GNCJJNGPNZSLTJ-UHFFFAOYSA-N -1 0 347.392 2.714 20 30 EFEDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC)cc1 ZINC000048492840 472882762 /nfs/dbraw/zinc/88/27/62/472882762.db2.gz MXSFKFYHSVLEOA-NSHDSACASA-N -1 0 342.417 2.624 20 30 EFEDRM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000048529610 472885590 /nfs/dbraw/zinc/88/55/90/472885590.db2.gz DZYVQMSXPPGXRV-ZHACJKMWSA-N -1 0 342.376 2.894 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(F)c1 ZINC000158039825 472886862 /nfs/dbraw/zinc/88/68/62/472886862.db2.gz CGWJRGAVTSWVGQ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM C=CCCn1cc(CN=c2nc(-c3ccccc3C)[n-]s2)nn1 ZINC000631307418 480016376 /nfs/dbraw/zinc/01/63/76/480016376.db2.gz QJLXDJWCCHQZQY-UHFFFAOYSA-N -1 0 326.429 2.715 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc2nsnc21)C1CCCCC1 ZINC000048637304 472894637 /nfs/dbraw/zinc/89/46/37/472894637.db2.gz VXHQGXZDBSBAMF-UHFFFAOYSA-N -1 0 325.415 2.917 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000121740987 472904710 /nfs/dbraw/zinc/90/47/10/472904710.db2.gz NROKSSJZHHNNRX-UHFFFAOYSA-N -1 0 333.388 2.705 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3cnn(C)c3)n2)n1 ZINC000048789176 472909366 /nfs/dbraw/zinc/90/93/66/472909366.db2.gz LPXDHBRVIITZCU-SNVBAGLBSA-N -1 0 329.410 2.799 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000049405087 472947118 /nfs/dbraw/zinc/94/71/18/472947118.db2.gz NXVCHMMKJPNJCB-ZDUSSCGKSA-N -1 0 340.339 2.890 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049394074 472947413 /nfs/dbraw/zinc/94/74/13/472947413.db2.gz VPSWJZRIVYBBSS-HNNXBMFYSA-N -1 0 344.378 2.996 20 30 EFEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nnc2n1CCCCC2 ZINC000122102749 472975592 /nfs/dbraw/zinc/97/55/92/472975592.db2.gz DKLJBHYKHLRQNI-CQSZACIVSA-N -1 0 338.415 2.806 20 30 EFEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1F ZINC000080114685 472979543 /nfs/dbraw/zinc/97/95/43/472979543.db2.gz WTPHZQGOSVEKEK-UHFFFAOYSA-N -1 0 333.344 2.781 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000065594617 472985278 /nfs/dbraw/zinc/98/52/78/472985278.db2.gz CNBHQRHQLWABLU-UHFFFAOYSA-N -1 0 337.335 2.847 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cn1 ZINC000108250876 473009768 /nfs/dbraw/zinc/00/97/68/473009768.db2.gz ZVMFOSUKZNALOM-UHFFFAOYSA-N -1 0 336.442 2.710 20 30 EFEDRM N#Cc1nc(NC(=O)CCCOc2ccccc2Cl)[n-]c1C#N ZINC000051342730 473042315 /nfs/dbraw/zinc/04/23/15/473042315.db2.gz MCPVOVNAVKNXEX-UHFFFAOYSA-N -1 0 329.747 2.604 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135375483 473064280 /nfs/dbraw/zinc/06/42/80/473064280.db2.gz WSIQQGLDSVDXRE-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000066250010 473065237 /nfs/dbraw/zinc/06/52/37/473065237.db2.gz WXWPTZDZKITIMX-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM O=C(C=Cc1cscn1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000051901603 473072380 /nfs/dbraw/zinc/07/23/80/473072380.db2.gz NHCDIEIVDRVYKJ-DUXPYHPUSA-N -1 0 343.817 2.691 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000109422561 473099623 /nfs/dbraw/zinc/09/96/23/473099623.db2.gz AOWNTFKWFAFISE-UHFFFAOYSA-N -1 0 331.397 2.873 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1Cl ZINC000052557366 473124484 /nfs/dbraw/zinc/12/44/84/473124484.db2.gz FCYKYCXCRLHHSQ-SECBINFHSA-N -1 0 329.747 2.521 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2occc2C)C1=O ZINC000136009821 473126793 /nfs/dbraw/zinc/12/67/93/473126793.db2.gz KBOZRRKDFVZLOB-KRWDZBQOSA-N -1 0 335.404 2.904 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000123379734 473133804 /nfs/dbraw/zinc/13/38/04/473133804.db2.gz BLZZLTNPXWTCBW-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000066814357 473157477 /nfs/dbraw/zinc/15/74/77/473157477.db2.gz RGNNSMYDRZYDAU-LLVKDONJSA-N -1 0 336.442 2.615 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1[N+](=O)[O-] ZINC000093930579 473164181 /nfs/dbraw/zinc/16/41/81/473164181.db2.gz HOHLPCRVVGDXGK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COC(=O)N1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000066887819 473169485 /nfs/dbraw/zinc/16/94/85/473169485.db2.gz UONXZTNCLYQJFF-LZYBPNLTSA-N -1 0 341.751 2.604 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137195184 473198574 /nfs/dbraw/zinc/19/85/74/473198574.db2.gz YQAACUSOGNZKNZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(F)c1 ZINC000123925262 473198653 /nfs/dbraw/zinc/19/86/53/473198653.db2.gz MXIJINWZEYBLEZ-UHFFFAOYSA-N -1 0 342.754 2.968 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000163240694 473424923 /nfs/dbraw/zinc/42/49/23/473424923.db2.gz BBSQZZZVWOKCRS-UHFFFAOYSA-N -1 0 326.765 2.519 20 30 EFEDRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)cc1 ZINC000096457161 473432410 /nfs/dbraw/zinc/43/24/10/473432410.db2.gz ZTYQEJZAGKKANG-TWGQIWQCSA-N -1 0 345.804 2.593 20 30 EFEDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114061359 473436099 /nfs/dbraw/zinc/43/60/99/473436099.db2.gz RPHKRKYKDSTSDR-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000185638569 473474877 /nfs/dbraw/zinc/47/48/77/473474877.db2.gz ITFRTXCXBJDIHX-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000164024485 473476062 /nfs/dbraw/zinc/47/60/62/473476062.db2.gz VIKURWWJWPQXTH-UHFFFAOYSA-N -1 0 330.369 2.883 20 30 EFEDRM CC(C)(C)c1[n-]n(CC(=O)N2CCCCCC2)c(=O)c1CCC#N ZINC000151832692 473497738 /nfs/dbraw/zinc/49/77/38/473497738.db2.gz UOQILLMWYPDBQJ-UHFFFAOYSA-N -1 0 332.448 2.745 20 30 EFEDRM N#CCNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000126392862 473513955 /nfs/dbraw/zinc/51/39/55/473513955.db2.gz SBJTXMUWSAOAQG-UHFFFAOYSA-N -1 0 344.680 2.503 20 30 EFEDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000172124124 473528953 /nfs/dbraw/zinc/52/89/53/473528953.db2.gz LPIHSDFHGGNHTQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000167724331 473538478 /nfs/dbraw/zinc/53/84/78/473538478.db2.gz KAFALKQADAMKSK-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000178621499 473538993 /nfs/dbraw/zinc/53/89/93/473538993.db2.gz ZXVSUEAZAAZZEF-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191535484 473551479 /nfs/dbraw/zinc/55/14/79/473551479.db2.gz AJYCPWZSROSFJT-GOSISDBHSA-N -1 0 336.391 2.959 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C2CC2)n1 ZINC000633898918 480045927 /nfs/dbraw/zinc/04/59/27/480045927.db2.gz BTJHHBHPPPXHBJ-ZDUSSCGKSA-N -1 0 338.415 2.588 20 30 EFEDRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4o3)c2oc1=O ZINC000178882945 473584527 /nfs/dbraw/zinc/58/45/27/473584527.db2.gz VZRXLWUTZSPDJC-NSHDSACASA-N -1 0 333.303 2.763 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccn1 ZINC000153262245 473615810 /nfs/dbraw/zinc/61/58/10/473615810.db2.gz QGJSUYOMORCQBT-GFCCVEGCSA-N -1 0 333.307 2.666 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186240029 473625904 /nfs/dbraw/zinc/62/59/04/473625904.db2.gz DOQTZRBRZTTXHV-UHFFFAOYSA-N -1 0 327.296 2.823 20 30 EFEDRM CC(C)(C)CCNC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153486678 473626175 /nfs/dbraw/zinc/62/61/75/473626175.db2.gz RPPQMOMDUSTNLY-UHFFFAOYSA-N -1 0 334.464 2.895 20 30 EFEDRM N#CC(=C([O-])c1ccc(-n2ccnn2)cc1)c1nc2ccccc2o1 ZINC000179363352 473680238 /nfs/dbraw/zinc/68/02/38/473680238.db2.gz ZSIGYCMEJKIUHO-AWEZNQCLSA-N -1 0 329.319 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cn1 ZINC000172900763 473700470 /nfs/dbraw/zinc/70/04/70/473700470.db2.gz BYNZQJHMFDTURJ-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192726867 473714681 /nfs/dbraw/zinc/71/46/81/473714681.db2.gz WGODRZZOHVLJGL-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000192731929 473715566 /nfs/dbraw/zinc/71/55/66/473715566.db2.gz HZTZLWJFDWNWMR-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CCOC(=O)c1sc2[nH]c(CCCOCC)nc(=O)c2c1C ZINC000172996465 473721807 /nfs/dbraw/zinc/72/18/07/473721807.db2.gz UTKKGNKTEZFCBM-UHFFFAOYSA-N -1 0 336.413 2.605 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000186704174 473734417 /nfs/dbraw/zinc/73/44/17/473734417.db2.gz GPGHXCCITYIKLB-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263498904 473761235 /nfs/dbraw/zinc/76/12/35/473761235.db2.gz URCPBSYHDDIECV-INIZCTEOSA-N -1 0 343.427 2.798 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCN(CC(F)(F)F)CC2)c1 ZINC000186937965 473784675 /nfs/dbraw/zinc/78/46/75/473784675.db2.gz YAJKZHCDVARWGV-DJKKODMXSA-N -1 0 345.321 2.994 20 30 EFEDRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187039351 473805888 /nfs/dbraw/zinc/80/58/88/473805888.db2.gz KPRPAKQYAVPOOA-UHFFFAOYSA-N -1 0 325.777 2.871 20 30 EFEDRM CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000187556142 473884745 /nfs/dbraw/zinc/88/47/45/473884745.db2.gz IRBKYCSPYGSDFU-LLVKDONJSA-N -1 0 340.339 2.790 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000187765730 473916401 /nfs/dbraw/zinc/91/64/01/473916401.db2.gz HCIMECWDQJYFRQ-UHFFFAOYSA-N -1 0 332.429 2.809 20 30 EFEDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000288380918 473926602 /nfs/dbraw/zinc/92/66/02/473926602.db2.gz IWJCHYWLRBOIMY-UHFFFAOYSA-N -1 0 336.369 2.749 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000194791762 473954418 /nfs/dbraw/zinc/95/44/18/473954418.db2.gz KLFIYRHBZPPGKF-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180758397 473958788 /nfs/dbraw/zinc/95/87/88/473958788.db2.gz LNDXPHHRPCQCLJ-NSHDSACASA-N -1 0 342.289 2.791 20 30 EFEDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc(C#N)c3)o2)s1 ZINC000194839867 473961499 /nfs/dbraw/zinc/96/14/99/473961499.db2.gz OMOGHBBSWROISH-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000180789518 473965851 /nfs/dbraw/zinc/96/58/51/473965851.db2.gz VCNKGSLRDAZGAM-XIKOKIGWSA-N -1 0 342.374 2.919 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)cc1 ZINC000194895646 473972793 /nfs/dbraw/zinc/97/27/93/473972793.db2.gz GVTZMFSPKACTMA-UHFFFAOYSA-N -1 0 346.412 2.865 20 30 EFEDRM N#Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)sc2c1CCCCCC2 ZINC000188151375 474000723 /nfs/dbraw/zinc/00/07/23/474000723.db2.gz RYJBHWPSVDTHTK-QWHCGFSZSA-N -1 0 348.424 2.849 20 30 EFEDRM CC(C)Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181272562 474020867 /nfs/dbraw/zinc/02/08/67/474020867.db2.gz GPKYPQJAANEHBN-MDZDMXLPSA-N -1 0 334.441 2.648 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nc(C(=O)OCC)c(C)o1 ZINC000288696734 474024276 /nfs/dbraw/zinc/02/42/76/474024276.db2.gz XXKVIUJJDBOXNL-UHFFFAOYSA-N -1 0 332.422 2.872 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1[O-] ZINC000188252009 474034940 /nfs/dbraw/zinc/03/49/40/474034940.db2.gz FYDRCWDBMZGHTD-UHFFFAOYSA-N -1 0 335.363 2.752 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000188261871 474038241 /nfs/dbraw/zinc/03/82/41/474038241.db2.gz VHZOCCOSVRTVCL-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CC(=O)OCC)cs1 ZINC000282384285 474045398 /nfs/dbraw/zinc/04/53/98/474045398.db2.gz IIFXLPWCIAMTRB-UHFFFAOYSA-N -1 0 348.490 2.961 20 30 EFEDRM CC(C)Sc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cc1 ZINC000270438268 474117965 /nfs/dbraw/zinc/11/79/65/474117965.db2.gz QKWFVQDYGDAJJZ-VMPITWQZSA-N -1 0 331.397 2.759 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c1 ZINC000264880640 474160203 /nfs/dbraw/zinc/16/02/03/474160203.db2.gz CREVTOGQIWJZBF-ZROIWOOFSA-N -1 0 346.408 2.653 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000228195179 474249326 /nfs/dbraw/zinc/24/93/26/474249326.db2.gz LMDXVRDBBRBRKA-LURJTMIESA-N -1 0 339.161 2.771 20 30 EFEDRM CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)[C@@H](O)C(F)(F)F ZINC000270835750 474286871 /nfs/dbraw/zinc/28/68/71/474286871.db2.gz GZUUJWNZSBZSRW-PSASIEDQSA-N -1 0 347.230 2.875 20 30 EFEDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2O1 ZINC000275959835 474372488 /nfs/dbraw/zinc/37/24/88/474372488.db2.gz BEMSXEZIRAUYNZ-MRXNPFEDSA-N -1 0 345.380 2.651 20 30 EFEDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000189661544 474457705 /nfs/dbraw/zinc/45/77/05/474457705.db2.gz QAAMEIFCXGHHQW-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC(C)(C)n1ncnc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000283785045 474495527 /nfs/dbraw/zinc/49/55/27/474495527.db2.gz LORLVWUIFBKGGT-OMCISZLKSA-N -1 0 337.767 2.919 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[O-] ZINC000189924447 474506751 /nfs/dbraw/zinc/50/67/51/474506751.db2.gz QTZMWRIUSYFOCZ-GOSISDBHSA-N -1 0 335.407 2.831 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000238004316 474518913 /nfs/dbraw/zinc/51/89/13/474518913.db2.gz KBEUXOLHVXGICA-DXWDOBMASA-N -1 0 342.395 2.706 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000276761340 474570461 /nfs/dbraw/zinc/57/04/61/474570461.db2.gz HQSJCLORIWOEHY-UHFFFAOYSA-N -1 0 347.820 2.681 20 30 EFEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290480403 474572881 /nfs/dbraw/zinc/57/28/81/474572881.db2.gz HVHRFTMZMFCWMK-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM C=C(C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000290552318 474577340 /nfs/dbraw/zinc/57/73/40/474577340.db2.gz QONJNQOHUUFYFD-UHFFFAOYSA-N -1 0 339.291 2.601 20 30 EFEDRM C#CCO[N-]C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000291005315 474589565 /nfs/dbraw/zinc/58/95/65/474589565.db2.gz AAFOTCWFHUTVPF-OAHLLOKOSA-N -1 0 346.427 2.960 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184710709 474591729 /nfs/dbraw/zinc/59/17/29/474591729.db2.gz MPHVXNYCCBDYNW-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C)CCC(=O)[O-])cc1OC ZINC000271938089 474598388 /nfs/dbraw/zinc/59/83/88/474598388.db2.gz PTQDMPDEVXASOY-BUUCAEBMSA-N -1 0 333.384 2.643 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000184764215 474602643 /nfs/dbraw/zinc/60/26/43/474602643.db2.gz HAXHWQCJYDBGFE-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000184808774 474611408 /nfs/dbraw/zinc/61/14/08/474611408.db2.gz DHOFDGBXPHFMJQ-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184814947 474613881 /nfs/dbraw/zinc/61/38/81/474613881.db2.gz FKKCITIZEHROGY-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)s1 ZINC000629085664 480119845 /nfs/dbraw/zinc/11/98/45/480119845.db2.gz ALEXOXJQBMDFEK-CHWSQXEVSA-N -1 0 334.470 2.965 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c3c(n2)CCCC3)ccc1C#N ZINC000278501748 474666508 /nfs/dbraw/zinc/66/65/08/474666508.db2.gz NXRAXLFMTFAFCB-UHFFFAOYSA-N -1 0 342.424 2.645 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)o1 ZINC000340807390 474680200 /nfs/dbraw/zinc/68/02/00/474680200.db2.gz DFUPTZKDCRNXHH-UHFFFAOYSA-N -1 0 345.302 2.926 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCO[C@H](c3ccncc3)C2)s1 ZINC000629085667 480120082 /nfs/dbraw/zinc/12/00/82/480120082.db2.gz ALEXOXJQBMDFEK-OLZOCXBDSA-N -1 0 334.470 2.965 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCCC(=O)[O-])c1ccc(OC)cc1 ZINC000291798805 474693435 /nfs/dbraw/zinc/69/34/35/474693435.db2.gz AYLLOPXQDYPCNF-UHFFFAOYSA-N -1 0 341.429 2.662 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCCC(=O)[O-])Cc1ccc(F)cc1 ZINC000291811648 474699690 /nfs/dbraw/zinc/69/96/90/474699690.db2.gz CTEAGWSSYHYDAQ-UHFFFAOYSA-N -1 0 343.420 2.789 20 30 EFEDRM COC(=O)c1c(C)nc(=O)[nH]c1SCc1cccc(C#N)c1F ZINC000340855552 474720471 /nfs/dbraw/zinc/72/04/71/474720471.db2.gz NRZCHGRVXFVKFO-UHFFFAOYSA-N -1 0 333.344 2.580 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000291870060 474726889 /nfs/dbraw/zinc/72/68/89/474726889.db2.gz LITQVVHUIXJJQJ-AWEZNQCLSA-N -1 0 343.470 2.508 20 30 EFEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340941447 474801130 /nfs/dbraw/zinc/80/11/30/474801130.db2.gz QRLOGILZNYERMO-UHFFFAOYSA-N -1 0 333.394 2.958 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)o1 ZINC000340943083 474803122 /nfs/dbraw/zinc/80/31/22/474803122.db2.gz SWTQTIHDEBBREB-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1 ZINC000344864677 474803946 /nfs/dbraw/zinc/80/39/46/474803946.db2.gz VPVXLOCJZGRVBE-SECBINFHSA-N -1 0 331.353 2.675 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1 ZINC000344954943 474818392 /nfs/dbraw/zinc/81/83/92/474818392.db2.gz YNTYHCZHNQFJMI-GFCCVEGCSA-N -1 0 335.319 2.890 20 30 EFEDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000255202629 474819543 /nfs/dbraw/zinc/81/95/43/474819543.db2.gz VWPOHACOHIMAQA-SREVYHEPSA-N -1 0 326.805 2.619 20 30 EFEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F ZINC000340965015 474827160 /nfs/dbraw/zinc/82/71/60/474827160.db2.gz HOUBKGBBZZAONS-UHFFFAOYSA-N -1 0 330.337 2.952 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)o1 ZINC000340967033 474828538 /nfs/dbraw/zinc/82/85/38/474828538.db2.gz TWZCFOSQPNYULS-UHFFFAOYSA-N -1 0 328.296 2.596 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000255386528 474847628 /nfs/dbraw/zinc/84/76/28/474847628.db2.gz ZBHWQNLJXASZJH-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM CCn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000345065432 474861130 /nfs/dbraw/zinc/86/11/30/474861130.db2.gz YEXHEOCOXULEQW-ZDUSSCGKSA-N -1 0 348.391 2.783 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1Br)C(=O)[O-] ZINC000315927590 474874471 /nfs/dbraw/zinc/87/44/71/474874471.db2.gz QJYFCCNEQPLYQL-GFCCVEGCSA-N -1 0 341.205 2.668 20 30 EFEDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000285115471 474896972 /nfs/dbraw/zinc/89/69/72/474896972.db2.gz MVBPQBFMEYDDFF-UHFFFAOYSA-N -1 0 336.442 2.535 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000339094291 474920792 /nfs/dbraw/zinc/92/07/92/474920792.db2.gz CFDIKABGJYQMLN-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000321460816 474926445 /nfs/dbraw/zinc/92/64/45/474926445.db2.gz GUWLOMRWJCRAFI-UHFFFAOYSA-N -1 0 329.278 2.906 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1C#N ZINC000323203459 474945097 /nfs/dbraw/zinc/94/50/97/474945097.db2.gz GTQFDVIXMNKCAM-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)ccc1C(=O)[O-] ZINC000323692941 474952392 /nfs/dbraw/zinc/95/23/92/474952392.db2.gz DJSQMGLIZDQLSR-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000324067527 474959999 /nfs/dbraw/zinc/95/99/99/474959999.db2.gz DMRVJOVUPFDWPA-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1c(F)cccc1F ZINC000345175454 474962541 /nfs/dbraw/zinc/96/25/41/474962541.db2.gz WXHIDVZYHPVYKU-LLVKDONJSA-N -1 0 339.305 2.739 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)[n-]1 ZINC000345183629 474969911 /nfs/dbraw/zinc/96/99/11/474969911.db2.gz CPGIERNBNUCKLZ-YLJYHZDGSA-N -1 0 334.423 2.990 20 30 EFEDRM C=CCOc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000324860977 474977860 /nfs/dbraw/zinc/97/78/60/474977860.db2.gz APSCUUKLCHORHM-UHFFFAOYSA-N -1 0 325.364 2.922 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000280691792 475044324 /nfs/dbraw/zinc/04/43/24/475044324.db2.gz FWOHHYAJBFEIFT-IINYFYTJSA-N -1 0 333.812 2.739 20 30 EFEDRM CC[C@@H]1C[C@@H](C([O-])=Nc2cccc(-c3nnnn3C)c2)CC(=O)N1 ZINC000329762054 475127163 /nfs/dbraw/zinc/12/71/63/475127163.db2.gz SFVNGRCTHGVOEM-VXGBXAGGSA-N -1 0 328.376 2.610 20 30 EFEDRM CO[C@@H]1CC[C@@H](NC(=O)N=c2nc(-c3sccc3C)[n-]s2)C1 ZINC000329897263 475158339 /nfs/dbraw/zinc/15/83/39/475158339.db2.gz CUKCKEICTHPHCY-NXEZZACHSA-N -1 0 338.458 2.890 20 30 EFEDRM Cc1cc(N=C([O-])[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cn(C)c1=O ZINC000330192806 475210131 /nfs/dbraw/zinc/21/01/31/475210131.db2.gz NXEZJSKPEDDWSD-CABCVRRESA-N -1 0 340.379 2.857 20 30 EFEDRM COc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000361194655 475259816 /nfs/dbraw/zinc/25/98/16/475259816.db2.gz UNWVMEYPLRJSPW-VIFPVBQESA-N -1 0 343.293 2.720 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347358926 475265204 /nfs/dbraw/zinc/26/52/04/475265204.db2.gz GMAPZRYYRHEYON-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)s[n-]1 ZINC000330863100 475284776 /nfs/dbraw/zinc/28/47/76/475284776.db2.gz SXORUTAQSRZLFF-VXGBXAGGSA-N -1 0 326.466 2.832 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1Cl ZINC000337745625 475289552 /nfs/dbraw/zinc/28/95/52/475289552.db2.gz GERNGHSSAQTZSL-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)n[nH]c1C1CC1 ZINC000337761082 475301513 /nfs/dbraw/zinc/30/15/13/475301513.db2.gz KGIZPYGJJVVEDY-UHFFFAOYSA-N -1 0 339.380 2.508 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)NC[C@@](C)(O)C2CCCCC2)s1 ZINC000331171582 475318030 /nfs/dbraw/zinc/31/80/30/475318030.db2.gz OHCNJLFUYRYWCJ-OAHLLOKOSA-N -1 0 326.466 2.570 20 30 EFEDRM Cc1nc(CC(C)C)sc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000331166247 475318546 /nfs/dbraw/zinc/31/85/46/475318546.db2.gz BHEMDQYAIAJNQL-UHFFFAOYSA-N -1 0 340.445 2.836 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)ccc1C#N ZINC000337787434 475323532 /nfs/dbraw/zinc/32/35/32/475323532.db2.gz YDTUPEPAYXXUDH-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347730452 475337633 /nfs/dbraw/zinc/33/76/33/475337633.db2.gz ISHIBRIMCCBNKP-JTQLQIEISA-N -1 0 341.396 2.997 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(CCC(C)C)[nH]n1 ZINC000345673207 475355018 /nfs/dbraw/zinc/35/50/18/475355018.db2.gz FMCUEJBCBJROHZ-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM CCCCCc1n[n-]c(=NC(=O)N2CCC(F)(C#N)CC2)s1 ZINC000348084262 475375277 /nfs/dbraw/zinc/37/52/77/475375277.db2.gz VVGQZUGMBRRJIJ-UHFFFAOYSA-N -1 0 325.413 2.552 20 30 EFEDRM N#Cc1ccc(OCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345788665 475452128 /nfs/dbraw/zinc/45/21/28/475452128.db2.gz UFRXCORATOVPBC-MRXNPFEDSA-N -1 0 344.754 2.533 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000338028276 475522378 /nfs/dbraw/zinc/52/23/78/475522378.db2.gz LXYFJRKZLOTFCA-YPMHNXCESA-N -1 0 330.413 2.693 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000352700444 475545108 /nfs/dbraw/zinc/54/51/08/475545108.db2.gz PDVNWZFUFGWZGD-UHFFFAOYSA-N -1 0 338.458 2.928 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000346317029 475582916 /nfs/dbraw/zinc/58/29/16/475582916.db2.gz IOGWTGOACAHXJL-UHFFFAOYSA-N -1 0 330.438 2.879 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)cc1C#N ZINC000332422789 475633076 /nfs/dbraw/zinc/63/30/76/475633076.db2.gz GMMURBKRPMCJEN-OLZOCXBDSA-N -1 0 349.456 2.703 20 30 EFEDRM CCOC(=O)C(C)(C)ONC(=O)Nc1ccc(C#N)cc1Cl ZINC000297177274 475642176 /nfs/dbraw/zinc/64/21/76/475642176.db2.gz SLEVVEWSDZEIJU-UHFFFAOYSA-N -1 0 325.752 2.606 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1-c1ccccc1 ZINC000342854974 475649552 /nfs/dbraw/zinc/64/95/52/475649552.db2.gz HODYVELCNGEGPV-CQSZACIVSA-N -1 0 342.362 2.942 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1-c1ccccc1 ZINC000342854973 475649826 /nfs/dbraw/zinc/64/98/26/475649826.db2.gz HODYVELCNGEGPV-AWEZNQCLSA-N -1 0 342.362 2.942 20 30 EFEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc2ccccc2[nH]1 ZINC000338186772 475659799 /nfs/dbraw/zinc/65/97/99/475659799.db2.gz BEFGCFBIRYKKED-AWEZNQCLSA-N -1 0 342.362 2.693 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc(C(=O)[O-])c1C ZINC000348451269 475674978 /nfs/dbraw/zinc/67/49/78/475674978.db2.gz DOJYURMHXUEERB-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(OC)cs2)n1 ZINC000353086628 475688900 /nfs/dbraw/zinc/68/89/00/475688900.db2.gz NVAPJJVBSNCTIN-SECBINFHSA-N -1 0 336.394 2.880 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000358493042 475720961 /nfs/dbraw/zinc/72/09/61/475720961.db2.gz LCBACTYWABMULL-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM CC(C)c1ncc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000358498125 475726185 /nfs/dbraw/zinc/72/61/85/475726185.db2.gz PPLXHMDVOASHSG-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000358501736 475729962 /nfs/dbraw/zinc/72/99/62/475729962.db2.gz JOESJNMCBZZPBO-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)C(C)C)n2)c1 ZINC000340104899 475762091 /nfs/dbraw/zinc/76/20/91/475762091.db2.gz WYZGXONGJPTQBH-HNNXBMFYSA-N -1 0 326.400 2.979 20 30 EFEDRM COCC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)(C)C ZINC000338311262 475771046 /nfs/dbraw/zinc/77/10/46/475771046.db2.gz DAHIHQFDOGYYSI-LBPRGKRZSA-N -1 0 337.445 2.562 20 30 EFEDRM N#CC1CCC(CNC(=O)N=c2ncn(C3CCCCC3)[n-]2)CC1 ZINC000333063769 475828125 /nfs/dbraw/zinc/82/81/25/475828125.db2.gz JBNHILSVNHQYLR-UHFFFAOYSA-N -1 0 330.436 2.657 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)nn1CCC#N ZINC000348891223 475879408 /nfs/dbraw/zinc/87/94/08/475879408.db2.gz WWSJQQSZSZRLKO-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)cc(C)[nH]c2=O)n1 ZINC000349298137 475941204 /nfs/dbraw/zinc/94/12/04/475941204.db2.gz OJHAFKLTNFZBNT-JTQLQIEISA-N -1 0 345.380 2.527 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cn1 ZINC000350013482 476030767 /nfs/dbraw/zinc/03/07/67/476030767.db2.gz FUYVXVIVURZIAY-UHFFFAOYSA-N -1 0 347.396 2.574 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000350114686 476052692 /nfs/dbraw/zinc/05/26/92/476052692.db2.gz LCQCEZPNFAYAIF-UHFFFAOYSA-N -1 0 335.355 2.516 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1C#N ZINC000334018264 476091190 /nfs/dbraw/zinc/09/11/90/476091190.db2.gz KGQSNFLEBPXPOY-HWPZZCPQSA-N -1 0 330.413 2.583 20 30 EFEDRM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(C#N)cc3F)c2)c1 ZINC000340582611 476121098 /nfs/dbraw/zinc/12/10/98/476121098.db2.gz JIKXIEHWXFNQGI-UHFFFAOYSA-N -1 0 337.310 2.828 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000336868462 476149426 /nfs/dbraw/zinc/14/94/26/476149426.db2.gz TVJXJXJBUXOWFQ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000336866956 476149609 /nfs/dbraw/zinc/14/96/09/476149609.db2.gz JYZANXNHNHXIAS-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)ccc1C#N ZINC000336872345 476156559 /nfs/dbraw/zinc/15/65/59/476156559.db2.gz MCLZVRZKGJCACH-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000302689904 476200915 /nfs/dbraw/zinc/20/09/15/476200915.db2.gz SGKUMIPMPHTSTC-QMMMGPOBSA-N -1 0 325.162 2.760 20 30 EFEDRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)n1 ZINC000340722956 476231411 /nfs/dbraw/zinc/23/14/11/476231411.db2.gz AOHPMJSKPDAQDX-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)nc2OC)n1 ZINC000347291662 476235951 /nfs/dbraw/zinc/23/59/51/476235951.db2.gz BKKCCWNSVVZXDB-LLVKDONJSA-N -1 0 345.380 2.522 20 30 EFEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357108425 476237568 /nfs/dbraw/zinc/23/75/68/476237568.db2.gz USLMKWORGJTAGJ-UHFFFAOYSA-N -1 0 331.397 2.679 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)nn1CCC#N ZINC000340742939 476246377 /nfs/dbraw/zinc/24/63/77/476246377.db2.gz SJHCZKCZSYHTCC-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000357164157 476271328 /nfs/dbraw/zinc/27/13/28/476271328.db2.gz LLIBNPVVKVMKLV-QMTHXVAHSA-N -1 0 348.765 2.521 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000350661907 476284198 /nfs/dbraw/zinc/28/41/98/476284198.db2.gz FDYYQQCDNCQFCG-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H](CCC#N)c2ccccc2)s[n-]1 ZINC000350717363 476293654 /nfs/dbraw/zinc/29/36/54/476293654.db2.gz RKOADMKLDNBZTB-AAEUAGOBSA-N -1 0 345.428 2.834 20 30 EFEDRM C=CCn1c(Cc2ccc(F)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350730150 476295025 /nfs/dbraw/zinc/29/50/25/476295025.db2.gz PZSKKRDSKJWBMG-UHFFFAOYSA-N -1 0 326.379 2.699 20 30 EFEDRM COc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(OC2CCCC2)c1 ZINC000357234411 476299823 /nfs/dbraw/zinc/29/98/23/476299823.db2.gz TYRJFPVCFUMNPM-UHFFFAOYSA-N -1 0 340.383 2.594 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1C#N ZINC000357237105 476300130 /nfs/dbraw/zinc/30/01/30/476300130.db2.gz DOLUIVXMFUTMQF-UHFFFAOYSA-N -1 0 345.384 2.673 20 30 EFEDRM Cc1nc(SCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C#N)c(C)c1C ZINC000362537211 476300405 /nfs/dbraw/zinc/30/04/05/476300405.db2.gz GHVNINAWAJAXTO-CQSZACIVSA-N -1 0 349.456 2.586 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000350969381 476318897 /nfs/dbraw/zinc/31/88/97/476318897.db2.gz DOJLSQPIBWJUQU-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc2ccccn2c1C#N ZINC000357327066 476332865 /nfs/dbraw/zinc/33/28/65/476332865.db2.gz HXPOWKGQPXMLSQ-UHFFFAOYSA-N -1 0 336.380 2.553 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1 ZINC000357336450 476336290 /nfs/dbraw/zinc/33/62/90/476336290.db2.gz FAECUOOXFOIQHW-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM C=CCn1c(-c2cccc3cccnc32)n[n-]c1=Nc1cnn(C)c1 ZINC000351119660 476342461 /nfs/dbraw/zinc/34/24/61/476342461.db2.gz UYLMODDCRSZYAT-UHFFFAOYSA-N -1 0 331.383 2.578 20 30 EFEDRM C=CCn1c(-c2cccc(OC(F)F)c2)n[n-]c1=Nc1cnn(C)c1 ZINC000351174679 476351765 /nfs/dbraw/zinc/35/17/65/476351765.db2.gz XXWSFSJWHPWBSM-UHFFFAOYSA-N -1 0 346.341 2.632 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1[N+](=O)[O-] ZINC000357463277 476399307 /nfs/dbraw/zinc/39/93/07/476399307.db2.gz DRQQOSHBMFVXEP-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357463272 476399835 /nfs/dbraw/zinc/39/98/35/476399835.db2.gz DPYZOROBKQRKJD-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCN(C(C)=O)c1nc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cs1 ZINC000357570182 476460872 /nfs/dbraw/zinc/46/08/72/476460872.db2.gz RMCWKARKRYDNNU-ALCCZGGFSA-N -1 0 342.380 2.651 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1nc2ccccn2[n-]1 ZINC000354225395 476518912 /nfs/dbraw/zinc/51/89/12/476518912.db2.gz RWWDCAZQZUQBOA-UHFFFAOYSA-N -1 0 348.410 2.713 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000352180007 476529180 /nfs/dbraw/zinc/52/91/80/476529180.db2.gz GUNRZDFQCXDBEO-UHFFFAOYSA-N -1 0 338.429 2.555 20 30 EFEDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2C#N)o1 ZINC000363214846 476609647 /nfs/dbraw/zinc/60/96/47/476609647.db2.gz ALRIEZJCTORGLB-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1n[n-]c(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000363274167 476634915 /nfs/dbraw/zinc/63/49/15/476634915.db2.gz JFGNRIYRMPCTEV-ZIAGYGMSSA-N -1 0 327.413 2.572 20 30 EFEDRM Cc1ccc(C(=O)CCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000354396271 476635012 /nfs/dbraw/zinc/63/50/12/476635012.db2.gz NNDJMAFSZWIAPI-UHFFFAOYSA-N -1 0 335.367 2.843 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000365614526 476647365 /nfs/dbraw/zinc/64/73/65/476647365.db2.gz NNNUWUOTDGSCCL-KBPBESRZSA-N -1 0 341.440 2.826 20 30 EFEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3ccncn3)c3c2CCC3)cc1 ZINC000354479034 476681524 /nfs/dbraw/zinc/68/15/24/476681524.db2.gz VOKDRWWMVAQZFK-INIZCTEOSA-N -1 0 343.390 2.950 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@@H]1C ZINC000414102420 476872465 /nfs/dbraw/zinc/87/24/65/476872465.db2.gz SXLGHEXCWBKYBL-LSKIRQOJSA-N -1 0 348.424 2.876 20 30 EFEDRM CS[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000415260126 476910998 /nfs/dbraw/zinc/91/09/98/476910998.db2.gz WFVQJKBROCURPJ-CQSZACIVSA-N -1 0 328.441 2.974 20 30 EFEDRM CCOC(=O)c1cnc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[n-]1 ZINC000415646478 476948323 /nfs/dbraw/zinc/94/83/23/476948323.db2.gz KSOUOMGOLVTJJN-UHFFFAOYSA-N -1 0 344.346 2.513 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000408513708 476956738 /nfs/dbraw/zinc/95/67/38/476956738.db2.gz NCGPYJPEVPSOCM-OALUTQOASA-N -1 0 348.402 2.829 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ncc1Br ZINC000408514346 476956837 /nfs/dbraw/zinc/95/68/37/476956837.db2.gz UVMXFOLDJFCRET-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000447156137 476959296 /nfs/dbraw/zinc/95/92/96/476959296.db2.gz IMIGCBQAOLKMHA-LLVKDONJSA-N -1 0 329.805 2.767 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccc(C3CCC3)cc2)s1 ZINC000447193795 476961418 /nfs/dbraw/zinc/96/14/18/476961418.db2.gz NBPZTMCVGZHNFX-UHFFFAOYSA-N -1 0 349.481 2.799 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)[n-]1 ZINC000410538530 477017358 /nfs/dbraw/zinc/01/73/58/477017358.db2.gz HHOCONDSGOWCDQ-NHYWBVRUSA-N -1 0 344.440 2.708 20 30 EFEDRM Cn1nc(-c2ccccc2)cc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000410544534 477018635 /nfs/dbraw/zinc/01/86/35/477018635.db2.gz ZOADTLMJVJVBLR-UHFFFAOYSA-N -1 0 348.410 2.584 20 30 EFEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000447609607 477023640 /nfs/dbraw/zinc/02/36/40/477023640.db2.gz YQMGKHNSRJQWDY-OAHLLOKOSA-N -1 0 343.408 2.540 20 30 EFEDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc21 ZINC000447787598 477055066 /nfs/dbraw/zinc/05/50/66/477055066.db2.gz KWMRZGHYIPOSPY-MRXNPFEDSA-N -1 0 344.392 2.829 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c1C#N ZINC000431677315 477073383 /nfs/dbraw/zinc/07/33/83/477073383.db2.gz CJYSRJNFAOKVAJ-VXGBXAGGSA-N -1 0 345.200 2.516 20 30 EFEDRM N#CCC1(CNC(=O)N=c2[n-]nc(Cc3ccccc3F)s2)CC1 ZINC000432082806 477152130 /nfs/dbraw/zinc/15/21/30/477152130.db2.gz VFFOGBWVNDCTQD-UHFFFAOYSA-N -1 0 345.403 2.505 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](Nc3cccc(C(=O)[O-])n3)C2)c(F)c1 ZINC000416407479 477162198 /nfs/dbraw/zinc/16/21/98/477162198.db2.gz KLMVSNJRADPHQN-ZDUSSCGKSA-N -1 0 340.358 2.871 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480694 477184637 /nfs/dbraw/zinc/18/46/37/477184637.db2.gz SIGQCAUONNOHHN-ABAIWWIYSA-N -1 0 342.848 2.639 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000371329479 477246702 /nfs/dbraw/zinc/24/67/02/477246702.db2.gz JPVPLIGHZXWRHD-UHFFFAOYSA-N -1 0 339.424 2.715 20 30 EFEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000424216800 477333469 /nfs/dbraw/zinc/33/34/69/477333469.db2.gz VDXPORKJAQRQFQ-UHFFFAOYSA-N -1 0 348.453 2.785 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1OC ZINC000424256272 477343762 /nfs/dbraw/zinc/34/37/62/477343762.db2.gz MKZUWCYIOBYBPA-LRDDRELGSA-N -1 0 333.384 2.585 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)ccc1C#N ZINC000435722986 477358208 /nfs/dbraw/zinc/35/82/08/477358208.db2.gz POSSEVGIKZJHFE-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000435746014 477364382 /nfs/dbraw/zinc/36/43/82/477364382.db2.gz SJVNCFGYODVDJP-ZIAGYGMSSA-N -1 0 344.440 2.730 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000416934024 477376126 /nfs/dbraw/zinc/37/61/26/477376126.db2.gz CKKWAVJPCXILDV-CYBMUJFWSA-N -1 0 334.401 2.904 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000416933064 477376159 /nfs/dbraw/zinc/37/61/59/477376159.db2.gz ADSSGMYCGJXFIN-XJKSGUPXSA-N -1 0 349.456 2.745 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000416936309 477377462 /nfs/dbraw/zinc/37/74/62/477377462.db2.gz HTAVGVFUYQVXTF-INIZCTEOSA-N -1 0 349.456 2.603 20 30 EFEDRM CCCNC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1Cl ZINC000416937915 477378592 /nfs/dbraw/zinc/37/85/92/477378592.db2.gz KAHAPONSNYZJEN-LLVKDONJSA-N -1 0 343.836 2.524 20 30 EFEDRM CC(C)C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000424378944 477383238 /nfs/dbraw/zinc/38/32/38/477383238.db2.gz UMTOZXXBJDPHSP-GFCCVEGCSA-N -1 0 342.355 2.595 20 30 EFEDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416955531 477385229 /nfs/dbraw/zinc/38/52/29/477385229.db2.gz VRWDPWAIUSFMHH-CYBMUJFWSA-N -1 0 326.418 2.918 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424396957 477389150 /nfs/dbraw/zinc/38/91/50/477389150.db2.gz ISSLSWLHIOLMEX-UHFFFAOYSA-N -1 0 334.416 2.894 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c1C#N ZINC000371600839 477405376 /nfs/dbraw/zinc/40/53/76/477405376.db2.gz DFCGPYSBRMQEMJ-UHFFFAOYSA-N -1 0 342.376 2.633 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000424458028 477415506 /nfs/dbraw/zinc/41/55/06/477415506.db2.gz ZKPOZXVNRRXETI-UHFFFAOYSA-N -1 0 334.416 2.942 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000377125002 477655533 /nfs/dbraw/zinc/65/55/33/477655533.db2.gz ZYNLRJMHENTDFP-UZLBHIALSA-N -1 0 332.407 2.813 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[n-]c1C#N ZINC000367870809 477729576 /nfs/dbraw/zinc/72/95/76/477729576.db2.gz YBSKRSBCQWUKSJ-UHFFFAOYSA-N -1 0 349.741 2.516 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(CC#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455958868 477790444 /nfs/dbraw/zinc/79/04/44/477790444.db2.gz WHYCIYUHDIYXFT-RDTXWAMCSA-N -1 0 336.391 2.814 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000493874263 477868251 /nfs/dbraw/zinc/86/82/51/477868251.db2.gz WQRYMOCJVYNNGR-HJWRWDBZSA-N -1 0 340.404 2.603 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531854191 477913844 /nfs/dbraw/zinc/91/38/44/477913844.db2.gz DJGCYPVFZUESSS-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000439253661 477949913 /nfs/dbraw/zinc/94/99/13/477949913.db2.gz SRAJBNFIOPNPAZ-UHFFFAOYSA-N -1 0 337.351 2.987 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1cc(C(F)(F)F)ccn1 ZINC000559281700 477972382 /nfs/dbraw/zinc/97/23/82/477972382.db2.gz RZGJAHVZDDCMHR-JTQLQIEISA-N -1 0 336.273 2.569 20 30 EFEDRM CC#CCCNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471304912 478007528 /nfs/dbraw/zinc/00/75/28/478007528.db2.gz UQIIFRKHLHOLBU-UHFFFAOYSA-N -1 0 338.795 2.954 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N=c1[n-]nc2ccccn21)c1ccc(F)c(F)c1 ZINC000480553489 478025490 /nfs/dbraw/zinc/02/54/90/478025490.db2.gz QOVJRIHHSJKRFI-OAHLLOKOSA-N -1 0 343.337 2.868 20 30 EFEDRM C=C(C)COCCNC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481949328 478025786 /nfs/dbraw/zinc/02/57/86/478025786.db2.gz DEVLGVNDCYWRNX-UHFFFAOYSA-N -1 0 346.456 2.958 20 30 EFEDRM C=CCCOCCNC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481953019 478025890 /nfs/dbraw/zinc/02/58/90/478025890.db2.gz LMIUWBUIDRBCQJ-UHFFFAOYSA-N -1 0 346.456 2.958 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2cccc3ccccc32)s1 ZINC000484017121 478029834 /nfs/dbraw/zinc/02/98/34/478029834.db2.gz IRWWIGJOKVRDNA-UHFFFAOYSA-N -1 0 345.449 2.685 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000517008100 478032741 /nfs/dbraw/zinc/03/27/41/478032741.db2.gz DASXWSOPROSWSM-CJNGLKHVSA-N -1 0 348.399 2.643 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)s1 ZINC000487231591 478034149 /nfs/dbraw/zinc/03/41/49/478034149.db2.gz CGQWGCSCPQLNRZ-UHFFFAOYSA-N -1 0 344.396 2.875 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000517238189 478069077 /nfs/dbraw/zinc/06/90/77/478069077.db2.gz DESZYRAPEZGROF-UHFFFAOYSA-N -1 0 342.395 2.694 20 30 EFEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1n[nH]cc1C#N ZINC000440096007 478073099 /nfs/dbraw/zinc/07/30/99/478073099.db2.gz YDISAYZUPSUTOT-UHFFFAOYSA-N -1 0 332.429 2.997 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000517365422 478084126 /nfs/dbraw/zinc/08/41/26/478084126.db2.gz CACGJNKKMCLTEA-CQSZACIVSA-N -1 0 343.470 2.810 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440286011 478102483 /nfs/dbraw/zinc/10/24/83/478102483.db2.gz WECWKCWTYUBTRN-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000440316282 478104409 /nfs/dbraw/zinc/10/44/09/478104409.db2.gz VLGIEVUAMKBCPH-MRXNPFEDSA-N -1 0 348.362 2.805 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000517700330 478114700 /nfs/dbraw/zinc/11/47/00/478114700.db2.gz CJFRYICXZFWFGG-WCQYABFASA-N -1 0 335.360 2.683 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429558992 478153911 /nfs/dbraw/zinc/15/39/11/478153911.db2.gz GENAGLBWYZXRBY-ZDUSSCGKSA-N -1 0 334.335 2.543 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429572085 478157046 /nfs/dbraw/zinc/15/70/46/478157046.db2.gz YXKTZZVSWFUNJI-ZDUSSCGKSA-N -1 0 330.351 2.941 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c([N+](=O)[O-])c3)nc1-2 ZINC000429576330 478158073 /nfs/dbraw/zinc/15/80/73/478158073.db2.gz XYNVWZUFYQCLQM-GFCCVEGCSA-N -1 0 335.323 2.973 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000440815809 478164599 /nfs/dbraw/zinc/16/45/99/478164599.db2.gz AJNKUDKGJYKWPL-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)nsc2C)n1 ZINC000429692091 478174091 /nfs/dbraw/zinc/17/40/91/478174091.db2.gz ZEOFGJGBXVCPSX-VIFPVBQESA-N -1 0 335.410 2.883 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)cc1 ZINC000535052660 478193105 /nfs/dbraw/zinc/19/31/05/478193105.db2.gz RVGZDTSDFBBXMH-UHFFFAOYSA-N -1 0 345.406 2.969 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000518885840 478196994 /nfs/dbraw/zinc/19/69/94/478196994.db2.gz BAEOLPSPAXEFRX-DCGLDWPTSA-N -1 0 326.437 2.689 20 30 EFEDRM C=CC(C)(C)C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000451807951 478211522 /nfs/dbraw/zinc/21/15/22/478211522.db2.gz CJGRUEOHTUGPEQ-UHFFFAOYSA-N -1 0 339.280 2.705 20 30 EFEDRM N#C[C@H](Sc1n[n-]c(=NC[C@H]2CCCO2)s1)c1ccccc1 ZINC000519604961 478239193 /nfs/dbraw/zinc/23/91/93/478239193.db2.gz DVSRIKPMOZXEBT-OLZOCXBDSA-N -1 0 332.454 2.908 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCCC(=O)[O-])Cc1cccc(F)c1 ZINC000562373635 478240110 /nfs/dbraw/zinc/24/01/10/478240110.db2.gz PNIJWNJDPQPLMQ-UHFFFAOYSA-N -1 0 343.420 2.789 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2c1CCCC2 ZINC000562577238 478270591 /nfs/dbraw/zinc/27/05/91/478270591.db2.gz AQDJHNJRPHHYDJ-CYBMUJFWSA-N -1 0 331.379 2.732 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597331496 478297028 /nfs/dbraw/zinc/29/70/28/478297028.db2.gz YMQAJINZWWWIPM-HIFRSBDPSA-N -1 0 348.362 2.840 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000562647192 478297274 /nfs/dbraw/zinc/29/72/74/478297274.db2.gz AUWJSBWNNSUNID-YPMHNXCESA-N -1 0 348.424 2.917 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000562648071 478297424 /nfs/dbraw/zinc/29/74/24/478297424.db2.gz MJYBNQLPLQQEFR-GFCCVEGCSA-N -1 0 326.780 2.567 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000562649231 478297527 /nfs/dbraw/zinc/29/75/27/478297527.db2.gz AJDJNJPKTBPDJX-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM CCC1(CNS(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1 ZINC000490425554 478340026 /nfs/dbraw/zinc/34/00/26/478340026.db2.gz YLXGFOKNQCWRDJ-UHFFFAOYSA-N -1 0 342.848 2.697 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)[n-]1 ZINC000570341615 478340089 /nfs/dbraw/zinc/34/00/89/478340089.db2.gz LQKKUVUBUAZTSU-HNNXBMFYSA-N -1 0 345.834 2.652 20 30 EFEDRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000590822351 478355502 /nfs/dbraw/zinc/35/55/02/478355502.db2.gz PBQNORZQAOXUPW-HNNXBMFYSA-N -1 0 327.363 2.530 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)[n-]1 ZINC000590822374 478355953 /nfs/dbraw/zinc/35/59/53/478355953.db2.gz SPXSCYTXSZECTJ-SWLSCSKDSA-N -1 0 343.818 2.825 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000495839254 478356166 /nfs/dbraw/zinc/35/61/66/478356166.db2.gz FWOKGZIONGROBN-CHWSQXEVSA-N -1 0 349.435 2.924 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](OC3CCC3)C2)cc1C#N ZINC000594390871 478358288 /nfs/dbraw/zinc/35/82/88/478358288.db2.gz XNNFFDIBIKHXJT-CYBMUJFWSA-N -1 0 347.440 2.554 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000580314852 478359056 /nfs/dbraw/zinc/35/90/56/478359056.db2.gz KXHFNXGTLHLLTO-RHSMWYFYSA-N -1 0 328.368 2.646 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OCC)cc1 ZINC000490671274 478367981 /nfs/dbraw/zinc/36/79/81/478367981.db2.gz UITXXDGPOMGJME-OAHLLOKOSA-N -1 0 345.399 2.884 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000521067917 478368171 /nfs/dbraw/zinc/36/81/71/478368171.db2.gz FQPCBUWTBIMVTH-NSHDSACASA-N -1 0 327.302 2.674 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000570492716 478370456 /nfs/dbraw/zinc/37/04/56/478370456.db2.gz XYGOOTQWCUNWHN-GFCCVEGCSA-N -1 0 326.780 2.567 20 30 EFEDRM COc1ccc2c(c1)[C@@H](C(=O)N=c1[nH][n-]c(C3CC3)c1C#N)CCC2 ZINC000594420712 478375298 /nfs/dbraw/zinc/37/52/98/478375298.db2.gz HTJRXDCECWXOGD-AWEZNQCLSA-N -1 0 336.395 2.648 20 30 EFEDRM C=CCn1c(-c2ccc(Cl)cc2OC)n[n-]c1=Nc1cnn(C)c1 ZINC000521517524 478377011 /nfs/dbraw/zinc/37/70/11/478377011.db2.gz KZQKNQPFQCVULR-UHFFFAOYSA-N -1 0 344.806 2.692 20 30 EFEDRM N#CCCC1CCN(C(=O)N=c2ncn(C3CCCCC3)[n-]2)CC1 ZINC000581308754 478377374 /nfs/dbraw/zinc/37/73/74/478377374.db2.gz DZRYAWVCKCHAPZ-UHFFFAOYSA-N -1 0 330.436 2.753 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000581473258 478379641 /nfs/dbraw/zinc/37/96/41/478379641.db2.gz XAGSXUISLYBDFL-DJIMGWMZSA-N -1 0 346.427 2.653 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2F)C1)C(=O)[O-] ZINC000581532904 478380163 /nfs/dbraw/zinc/38/01/63/478380163.db2.gz RRGMWRSPNHMNHJ-DZGCQCFKSA-N -1 0 349.406 2.513 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000562920512 478380226 /nfs/dbraw/zinc/38/02/26/478380226.db2.gz SRIWRQJDVUPNEJ-KEGWNNHHSA-N -1 0 331.412 2.985 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000581556382 478387426 /nfs/dbraw/zinc/38/74/26/478387426.db2.gz FIKMIGLLWIZDTI-UHFFFAOYSA-N -1 0 325.368 2.554 20 30 EFEDRM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000525366827 478393406 /nfs/dbraw/zinc/39/34/06/478393406.db2.gz RDQACLRIQVLODU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCOC(=O)c1[nH]c(C)c(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1C ZINC000600511838 478395935 /nfs/dbraw/zinc/39/59/35/478395935.db2.gz RDGSIKANUAERQL-CLFYSBASSA-N -1 0 340.383 2.632 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n(CCC#N)n1 ZINC000594460489 478398325 /nfs/dbraw/zinc/39/83/25/478398325.db2.gz QDJZMWVQXZYJLO-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM C[C@H](C#N)CNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000525909161 478398896 /nfs/dbraw/zinc/39/88/96/478398896.db2.gz XGSUNVXKTCSCNP-SSDOTTSWSA-N -1 0 339.783 2.701 20 30 EFEDRM Cc1ccc(-n2ccc([N-]S(=O)(=O)CCC(C)(C)C#N)n2)cc1 ZINC000594465047 478399472 /nfs/dbraw/zinc/39/94/72/478399472.db2.gz FGTYUDVLIAQMRT-UHFFFAOYSA-N -1 0 332.429 2.862 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000594466373 478400973 /nfs/dbraw/zinc/40/09/73/478400973.db2.gz NRBBWOLMLOAWKD-ZDUSSCGKSA-N -1 0 348.403 2.544 20 30 EFEDRM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000526960942 478409097 /nfs/dbraw/zinc/40/90/97/478409097.db2.gz COIQBHBHNBPQCG-UHFFFAOYSA-N -1 0 334.372 2.687 20 30 EFEDRM CC(C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)C(=O)[O-] ZINC000594541738 478430614 /nfs/dbraw/zinc/43/06/14/478430614.db2.gz YOLLIGFQBIVREU-CYBMUJFWSA-N -1 0 349.337 2.898 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2noc3c2COCC3)s1 ZINC000527599920 478439578 /nfs/dbraw/zinc/43/95/78/478439578.db2.gz PGWMNURJIULHSQ-SECBINFHSA-N -1 0 331.397 2.991 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1cc(C(F)(F)F)ccn1 ZINC000527602184 478440694 /nfs/dbraw/zinc/44/06/94/478440694.db2.gz UHLQKQYYTQQGJP-VIFPVBQESA-N -1 0 337.257 2.651 20 30 EFEDRM COC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000491141828 478451360 /nfs/dbraw/zinc/45/13/60/478451360.db2.gz RZXSBDHEINZZJA-HNNXBMFYSA-N -1 0 343.383 2.636 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000570850129 478462443 /nfs/dbraw/zinc/46/24/43/478462443.db2.gz PTZQDHCXRBDIRW-UHFFFAOYSA-N -1 0 331.821 2.933 20 30 EFEDRM N#Cc1cnc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000600677319 478465952 /nfs/dbraw/zinc/46/59/52/478465952.db2.gz CHZYTHTYDOGPSQ-BDAKNGLRSA-N -1 0 333.697 2.696 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000563227505 478489654 /nfs/dbraw/zinc/48/96/54/478489654.db2.gz XMHSRNDWXOXBSY-OAHLLOKOSA-N -1 0 325.430 2.821 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000582037970 478494725 /nfs/dbraw/zinc/49/47/25/478494725.db2.gz FCGGUCSXVQFMMJ-HNNXBMFYSA-N -1 0 339.457 2.995 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000594688101 478495162 /nfs/dbraw/zinc/49/51/62/478495162.db2.gz VXVWMPBTOSTEMG-BBWFWOEESA-N -1 0 341.411 2.528 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000594691008 478496216 /nfs/dbraw/zinc/49/62/16/478496216.db2.gz PDGLMROCGSTQGY-KRWDZBQOSA-N -1 0 343.427 2.824 20 30 EFEDRM N#CC1(CNC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)CCCCC1 ZINC000594691576 478498139 /nfs/dbraw/zinc/49/81/39/478498139.db2.gz WIDJHGRSSPOMGQ-UHFFFAOYSA-N -1 0 347.390 2.896 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000491285846 478498805 /nfs/dbraw/zinc/49/88/05/478498805.db2.gz FUQWNXZDYFFOMU-GFCCVEGCSA-N -1 0 328.441 2.771 20 30 EFEDRM CC(C)(C)OC(=O)NC1CCC(=NN=c2ccc(Cl)n[n-]2)CC1 ZINC000491320524 478510405 /nfs/dbraw/zinc/51/04/05/478510405.db2.gz RPLULCVFCIIMCL-UHFFFAOYSA-N -1 0 339.827 2.787 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)c1 ZINC000594725832 478515542 /nfs/dbraw/zinc/51/55/42/478515542.db2.gz LBHFEYPIJOLDKQ-GFCCVEGCSA-N -1 0 345.424 2.662 20 30 EFEDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000594729655 478516834 /nfs/dbraw/zinc/51/68/34/478516834.db2.gz QYQVIBDSYUOQAH-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)[n-]1 ZINC000591338105 478528218 /nfs/dbraw/zinc/52/82/18/478528218.db2.gz GBFORBCPZOIOQV-WFASDCNBSA-N -1 0 343.818 2.825 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000591339014 478528278 /nfs/dbraw/zinc/52/82/78/478528278.db2.gz UQTOQLKMNFFTHY-AWEZNQCLSA-N -1 0 331.397 2.704 20 30 EFEDRM C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](c2ccccc2)C1 ZINC000591338171 478528323 /nfs/dbraw/zinc/52/83/23/478528323.db2.gz QUNHNRZFVQSDQU-QRTARXTBSA-N -1 0 337.427 2.808 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000582222908 478542023 /nfs/dbraw/zinc/54/20/23/478542023.db2.gz YGQPEDGFHUMBII-NSHDSACASA-N -1 0 332.347 2.801 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000600878546 478549133 /nfs/dbraw/zinc/54/91/33/478549133.db2.gz XPABHVSMVFRUHL-XJKSGUPXSA-N -1 0 344.411 2.723 20 30 EFEDRM N#Cc1ccc(CCSc2n[n-]c(=NC[C@H]3CCCO3)s2)cc1 ZINC000594881021 478571386 /nfs/dbraw/zinc/57/13/86/478571386.db2.gz ALLWTWFZZFNEGZ-CQSZACIVSA-N -1 0 346.481 2.757 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1OC(F)F)C(=O)[O-] ZINC000571380139 478582199 /nfs/dbraw/zinc/58/21/99/478582199.db2.gz SRXXVGWFTCDXRK-LLVKDONJSA-N -1 0 328.315 2.507 20 30 EFEDRM C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000600964570 478586992 /nfs/dbraw/zinc/58/69/92/478586992.db2.gz QWWJJYURTFQQHJ-AAEUAGOBSA-N -1 0 332.404 2.689 20 30 EFEDRM N#CC1(CS(=O)(=O)N[C@@H]2COCc3ccccc32)CCCCC1 ZINC000582409374 478590138 /nfs/dbraw/zinc/59/01/38/478590138.db2.gz ZBTULICEEFLZIG-MRXNPFEDSA-N -1 0 334.441 2.651 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)CCC2CCCCC2)nc2n1CCS2 ZINC000591649293 478600772 /nfs/dbraw/zinc/60/07/72/478600772.db2.gz ABYCMWTXXYWERQ-UHFFFAOYSA-N -1 0 340.474 2.573 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000582484328 478609093 /nfs/dbraw/zinc/60/90/93/478609093.db2.gz IJZHZJHUHQHONI-HNNXBMFYSA-N -1 0 339.457 2.995 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496236114 478629726 /nfs/dbraw/zinc/62/97/26/478629726.db2.gz VDOCNWOUYJRNMC-UONOGXRCSA-N -1 0 336.388 2.874 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1CC)C(=O)[O-] ZINC000571582791 478631096 /nfs/dbraw/zinc/63/10/96/478631096.db2.gz CRIXWYXQOFITPB-OAHLLOKOSA-N -1 0 341.411 2.892 20 30 EFEDRM C#CCN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1CC1 ZINC000491709773 478643317 /nfs/dbraw/zinc/64/33/17/478643317.db2.gz PTOWGYAKDOQCNF-UHFFFAOYSA-N -1 0 332.816 2.910 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1 ZINC000496712105 478685478 /nfs/dbraw/zinc/68/54/78/478685478.db2.gz IPNNEHXSTQONAY-LLVKDONJSA-N -1 0 334.376 2.625 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)[C@@H](C#N)CCc2ccccc2)s[n-]1 ZINC000598191558 478698559 /nfs/dbraw/zinc/69/85/59/478698559.db2.gz PPLIRZICHSSLIT-CQSZACIVSA-N -1 0 328.441 2.870 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000595262507 478706306 /nfs/dbraw/zinc/70/63/06/478706306.db2.gz JHCPOZCCSRAXME-UHFFFAOYSA-N -1 0 329.400 2.539 20 30 EFEDRM N#CCCC[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000595263797 478707774 /nfs/dbraw/zinc/70/77/74/478707774.db2.gz TZGCTMWHZWFQNE-OAHLLOKOSA-N -1 0 329.400 2.976 20 30 EFEDRM N#CCN1CCC(CN=c2nc(-c3cc(F)cc(F)c3)[n-]s2)CC1 ZINC000591926770 478710451 /nfs/dbraw/zinc/71/04/51/478710451.db2.gz UYXWZRZSEITLJH-UHFFFAOYSA-N -1 0 349.410 2.553 20 30 EFEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000571951749 478713176 /nfs/dbraw/zinc/71/31/76/478713176.db2.gz GLNJHUURABDQPH-GFCCVEGCSA-N -1 0 327.388 2.744 20 30 EFEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000571951756 478714167 /nfs/dbraw/zinc/71/41/67/478714167.db2.gz GLNJHUURABDQPH-LBPRGKRZSA-N -1 0 327.388 2.744 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000571962161 478714701 /nfs/dbraw/zinc/71/47/01/478714701.db2.gz IYSIHIKQDVLBRM-HOCLYGCPSA-N -1 0 348.399 2.737 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000582962434 478729233 /nfs/dbraw/zinc/72/92/33/478729233.db2.gz LWJDPQSOZFSYMT-UHFFFAOYSA-N -1 0 327.402 2.735 20 30 EFEDRM N#CCC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000583011861 478742837 /nfs/dbraw/zinc/74/28/37/478742837.db2.gz RXUWVUJJPINSDN-GDBMZVCRSA-N -1 0 329.400 2.928 20 30 EFEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000564622044 478769005 /nfs/dbraw/zinc/76/90/05/478769005.db2.gz RRUCRCCYSROKQK-JTQLQIEISA-N -1 0 337.305 2.937 20 30 EFEDRM Cc1cnc([C@H](C)NS(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601366993 478804741 /nfs/dbraw/zinc/80/47/41/478804741.db2.gz RNVYLSMDVOYTCM-JTQLQIEISA-N -1 0 339.417 2.810 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000583266429 478808184 /nfs/dbraw/zinc/80/81/84/478808184.db2.gz JUHHPDZAFOPPBC-UHFFFAOYSA-N -1 0 331.821 2.523 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000583315827 478820313 /nfs/dbraw/zinc/82/03/13/478820313.db2.gz BSWLALOUOBRJRT-UHFFFAOYSA-N -1 0 331.184 2.530 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592214340 478828797 /nfs/dbraw/zinc/82/87/97/478828797.db2.gz YIJDUCWATAZFIK-JKSUJKDBSA-N -1 0 329.400 2.733 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c(Cl)c1 ZINC000572471744 478843295 /nfs/dbraw/zinc/84/32/95/478843295.db2.gz XAGDOIUCPCENSL-UHFFFAOYSA-N -1 0 340.817 2.741 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)ccc1C#N ZINC000572587130 478872897 /nfs/dbraw/zinc/87/28/97/478872897.db2.gz DOLZEEQBVNQOIR-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000583552279 478875852 /nfs/dbraw/zinc/87/58/52/478875852.db2.gz KVYUWSWHMIVQSR-LSDHHAIUSA-N -1 0 330.413 2.633 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c(NCC2(C(=O)[O-])CCOCC2)c1 ZINC000592418879 478889320 /nfs/dbraw/zinc/88/93/20/478889320.db2.gz BYGPDVOBAXKTNF-UHFFFAOYSA-N -1 0 328.290 2.870 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000601641433 478921795 /nfs/dbraw/zinc/92/17/95/478921795.db2.gz PFDRTLWZAAZDAK-UHFFFAOYSA-N -1 0 345.200 2.526 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(SC(F)F)cc1 ZINC000492324409 478931290 /nfs/dbraw/zinc/93/12/90/478931290.db2.gz QNJJUNQBNMLFKJ-YVMONPNESA-N -1 0 333.381 2.647 20 30 EFEDRM CCc1oc2ccccc2c1/C=C\C(=O)[N-]S(=O)(=O)CCCC#N ZINC000492331597 478935676 /nfs/dbraw/zinc/93/56/76/478935676.db2.gz QLSCOGZCNGCFJD-KTKRTIGZSA-N -1 0 346.408 2.758 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(c3cccc(F)c3)CCCCC2)c1C#N ZINC000601680121 478948402 /nfs/dbraw/zinc/94/84/02/478948402.db2.gz PMIFTEZIRYBWDI-UHFFFAOYSA-N -1 0 326.375 2.991 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2cc(C(=O)OC)ccc2F)s1 ZINC000511876935 478984151 /nfs/dbraw/zinc/98/41/51/478984151.db2.gz QVNWLEJIUQBOAR-UHFFFAOYSA-N -1 0 339.417 2.776 20 30 EFEDRM C[C@H](c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1)c1ccccc1 ZINC000528917509 478984963 /nfs/dbraw/zinc/98/49/63/478984963.db2.gz UONJRUNMVYQOBS-ZFWWWQNUSA-N -1 0 336.395 2.506 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1C ZINC000565366181 478991175 /nfs/dbraw/zinc/99/11/75/478991175.db2.gz ARVJVOCEEAMHLL-UHFFFAOYSA-N -1 0 325.430 2.568 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000512309535 478994557 /nfs/dbraw/zinc/99/45/57/478994557.db2.gz PSEHCKPBVKSHHM-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCc3occc3C2)cc1C#N ZINC000565394599 478996271 /nfs/dbraw/zinc/99/62/71/478996271.db2.gz LCGBMWPMPWHILV-UHFFFAOYSA-N -1 0 329.381 2.562 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000528944320 478996301 /nfs/dbraw/zinc/99/63/01/478996301.db2.gz OKLKXUKQYFJWBE-CYBMUJFWSA-N -1 0 349.456 2.519 20 30 EFEDRM COCCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000528965064 479002738 /nfs/dbraw/zinc/00/27/38/479002738.db2.gz BMNRUXDJJPHMNS-ZDUSSCGKSA-N -1 0 332.429 2.990 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1 ZINC000601789069 479004898 /nfs/dbraw/zinc/00/48/98/479004898.db2.gz JTQOCAQABKNRCD-UHFFFAOYSA-N -1 0 342.447 2.763 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccsc2)CCCCC1 ZINC000492561420 479008047 /nfs/dbraw/zinc/00/80/47/479008047.db2.gz KCEIWZAIGZNTHM-SNAWJCMRSA-N -1 0 338.454 2.681 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000601794542 479008327 /nfs/dbraw/zinc/00/83/27/479008327.db2.gz AUSKVMCIJHZFLQ-ZDUSSCGKSA-N -1 0 344.440 2.868 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000601798996 479009335 /nfs/dbraw/zinc/00/93/35/479009335.db2.gz XXOJYVRMMNMVGD-NSHDSACASA-N -1 0 344.440 2.530 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)[C@H](C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000601798398 479009354 /nfs/dbraw/zinc/00/93/54/479009354.db2.gz XXOJYVRMMNMVGD-LLVKDONJSA-N -1 0 344.440 2.530 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc2ccccc2c1 ZINC000492590302 479009613 /nfs/dbraw/zinc/00/96/13/479009613.db2.gz GEQRECNZCHRNBV-CSKARUKUSA-N -1 0 342.420 2.849 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc(Cl)s2)CCC1 ZINC000492593777 479009639 /nfs/dbraw/zinc/00/96/39/479009639.db2.gz KGZJRIWIBSCXNE-HYXAFXHYSA-N -1 0 344.845 2.555 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)C(C)(C)Oc2ccc(C#N)cc2)s[n-]1 ZINC000598769022 479017756 /nfs/dbraw/zinc/01/77/56/479017756.db2.gz BVQWNIVTMPLBQC-UHFFFAOYSA-N -1 0 344.440 2.826 20 30 EFEDRM N#CCC1CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000573217113 479017852 /nfs/dbraw/zinc/01/78/52/479017852.db2.gz JFEXXRDWKUENJN-KRWDZBQOSA-N -1 0 343.427 2.798 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1OC ZINC000492799946 479019407 /nfs/dbraw/zinc/01/94/07/479019407.db2.gz NSJXSJORBAZJRU-HEWZJLJBSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])C(C)C)cc1OC ZINC000492857547 479023135 /nfs/dbraw/zinc/02/31/35/479023135.db2.gz YCZAZZOYZRVGRK-VQHVLOKHSA-N -1 0 333.384 2.595 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc(C3CC3)cc2)CCC1 ZINC000493032926 479031746 /nfs/dbraw/zinc/03/17/46/479031746.db2.gz ZUJCBYYEWYJLTI-WTKPLQERSA-N -1 0 344.436 2.717 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000493316020 479044633 /nfs/dbraw/zinc/04/46/33/479044633.db2.gz DUMKFMAVTVZIOO-XQRVVYSFSA-N -1 0 331.846 2.969 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2nc3ccccc3s2)CC1 ZINC000493456007 479050884 /nfs/dbraw/zinc/05/08/84/479050884.db2.gz IHZSFBLJWCIQSW-FPLPWBNLSA-N -1 0 348.449 2.864 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000546864752 479079842 /nfs/dbraw/zinc/07/98/42/479079842.db2.gz IDNULZVJLIDNSH-GFCCVEGCSA-N -1 0 329.381 2.938 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000565878356 479081141 /nfs/dbraw/zinc/08/11/41/479081141.db2.gz SWLJWDBKJXWVOI-UAGQMJEPSA-N -1 0 346.427 2.710 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000565878358 479081646 /nfs/dbraw/zinc/08/16/46/479081646.db2.gz SWLJWDBKJXWVOI-XIRDDKMYSA-N -1 0 346.427 2.710 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000546958431 479081878 /nfs/dbraw/zinc/08/18/78/479081878.db2.gz SLWSRSPHTVRTME-UHFFFAOYSA-N -1 0 345.420 2.804 20 30 EFEDRM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1 ZINC000601948049 479087324 /nfs/dbraw/zinc/08/73/24/479087324.db2.gz IYCGQPLOABEUJE-UHFFFAOYSA-N -1 0 327.775 2.703 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(Nc2nc(C(F)(F)F)ccc2C#N)cn1 ZINC000595981617 479087538 /nfs/dbraw/zinc/08/75/38/479087538.db2.gz YRLZXWBSMQLMKX-UHFFFAOYSA-N -1 0 339.277 2.732 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000596000307 479089616 /nfs/dbraw/zinc/08/96/16/479089616.db2.gz WNTLYHQTSOQBCA-UHFFFAOYSA-N -1 0 340.383 2.529 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000584335684 479097210 /nfs/dbraw/zinc/09/72/10/479097210.db2.gz YVKBVSNEPVETPM-GFCCVEGCSA-N -1 0 339.461 2.702 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000493661496 479104242 /nfs/dbraw/zinc/10/42/42/479104242.db2.gz VXUPPAVIYXNLMA-DOFRETIQSA-N -1 0 335.425 2.971 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000596057924 479111920 /nfs/dbraw/zinc/11/19/20/479111920.db2.gz DJLQBSGHRPDIIU-UHFFFAOYSA-N -1 0 339.298 2.536 20 30 EFEDRM C=CCCS(=O)(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000567810358 479115881 /nfs/dbraw/zinc/11/58/81/479115881.db2.gz VAHAMAWXGYIUML-UHFFFAOYSA-N -1 0 337.441 2.545 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C(=O)[O-])C(C)C ZINC000548212990 479124754 /nfs/dbraw/zinc/12/47/54/479124754.db2.gz XAFXOJZXUXDTLF-OAHLLOKOSA-N -1 0 325.430 2.504 20 30 EFEDRM C=C(C)COCCNC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000568467715 479125331 /nfs/dbraw/zinc/12/53/31/479125331.db2.gz JUVMSPUGTMAEIY-MRXNPFEDSA-N -1 0 334.416 2.827 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC000548565144 479126504 /nfs/dbraw/zinc/12/65/04/479126504.db2.gz UZWLUCLFWGCGAS-UHFFFAOYSA-N -1 0 325.430 2.636 20 30 EFEDRM N#CCc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000568515308 479127001 /nfs/dbraw/zinc/12/70/01/479127001.db2.gz MTYOWNPXWOFUBN-FQEVSTJZSA-N -1 0 334.375 2.621 20 30 EFEDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000548592294 479127409 /nfs/dbraw/zinc/12/74/09/479127409.db2.gz BSRNQUVHIFRUPM-ZDUSSCGKSA-N -1 0 344.477 2.659 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000602001867 479128934 /nfs/dbraw/zinc/12/89/34/479128934.db2.gz SCXWCZXGOKHFNH-IKGGRYGDSA-N -1 0 326.396 2.943 20 30 EFEDRM C=CCSCCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000602008724 479134762 /nfs/dbraw/zinc/13/47/62/479134762.db2.gz NHKXGYPJAZDXEU-MRXNPFEDSA-N -1 0 325.405 2.594 20 30 EFEDRM C=CCCCCNC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000569076564 479135325 /nfs/dbraw/zinc/13/53/25/479135325.db2.gz SQECPTYKFUVJEA-INIZCTEOSA-N -1 0 347.390 2.958 20 30 EFEDRM C=CCCCCNC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000569076565 479135699 /nfs/dbraw/zinc/13/56/99/479135699.db2.gz SQECPTYKFUVJEA-MRXNPFEDSA-N -1 0 347.390 2.958 20 30 EFEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc2ccccc2[nH]1 ZINC000549085678 479137939 /nfs/dbraw/zinc/13/79/39/479137939.db2.gz GZDXJPDVLIAVKS-LBPRGKRZSA-N -1 0 336.351 2.935 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3cccnc3)nn2)n1 ZINC000573775800 479140172 /nfs/dbraw/zinc/14/01/72/479140172.db2.gz MFGGTLCFCROHFV-LBPRGKRZSA-N -1 0 338.396 2.732 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000549685350 479143424 /nfs/dbraw/zinc/14/34/24/479143424.db2.gz JQBIQADDUHLQJI-UHFFFAOYSA-N -1 0 344.444 2.763 20 30 EFEDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000555456598 479164907 /nfs/dbraw/zinc/16/49/07/479164907.db2.gz FEJMFCPEUSHCEL-ZIAGYGMSSA-N -1 0 344.477 2.659 20 30 EFEDRM CCC[C@H](C)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000555456595 479165135 /nfs/dbraw/zinc/16/51/35/479165135.db2.gz FEJMFCPEUSHCEL-KBPBESRZSA-N -1 0 344.477 2.659 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000610725585 479167638 /nfs/dbraw/zinc/16/76/38/479167638.db2.gz JCNMXUAKLJDPFR-UHFFFAOYSA-N -1 0 340.238 2.606 20 30 EFEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000610725249 479168385 /nfs/dbraw/zinc/16/83/85/479168385.db2.gz PSQMGWBBRQBYJU-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM CC[C@H](Cc1ccccc1)N(CC)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610730890 479170790 /nfs/dbraw/zinc/17/07/90/479170790.db2.gz WNCALMALLZKPAH-MRXNPFEDSA-N -1 0 325.416 2.589 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC000556707777 479179570 /nfs/dbraw/zinc/17/95/70/479179570.db2.gz DUJUEEKBJPYNPM-MRXNPFEDSA-N -1 0 343.427 2.991 20 30 EFEDRM CN(C)c1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000573934012 479180789 /nfs/dbraw/zinc/18/07/89/479180789.db2.gz LOUIWVWWVZLRIL-JTQLQIEISA-N -1 0 329.429 2.787 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C(F)F ZINC000584814703 479247581 /nfs/dbraw/zinc/24/75/81/479247581.db2.gz CDUGRKALBFZDIK-SECBINFHSA-N -1 0 327.294 2.791 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(Br)c1[O-] ZINC000574261908 479251489 /nfs/dbraw/zinc/25/14/89/479251489.db2.gz UAOVEWHJCQQWAK-YGRLFVJLSA-N -1 0 340.217 2.866 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Br)c1[O-] ZINC000574261905 479252377 /nfs/dbraw/zinc/25/23/77/479252377.db2.gz UAOVEWHJCQQWAK-HZMBPMFUSA-N -1 0 340.217 2.866 20 30 EFEDRM COc1ccc(OC(F)F)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000574403443 479280795 /nfs/dbraw/zinc/28/07/95/479280795.db2.gz CYKJCMRBBPXSDJ-UHFFFAOYSA-N -1 0 348.371 2.978 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1)c1cccc(C#N)c1 ZINC000603164907 479285599 /nfs/dbraw/zinc/28/55/99/479285599.db2.gz LYBHINQLPMTXQP-GXFFZTMASA-N -1 0 343.412 2.566 20 30 EFEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000611124163 479288301 /nfs/dbraw/zinc/28/83/01/479288301.db2.gz XZMRSRRRKLBEJS-ZIAGYGMSSA-N -1 0 346.481 2.778 20 30 EFEDRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000611127413 479289379 /nfs/dbraw/zinc/28/93/79/479289379.db2.gz APZBLNYSYAWZLR-LLVKDONJSA-N -1 0 346.460 2.827 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1CC)C(=O)[O-] ZINC000574482725 479293972 /nfs/dbraw/zinc/29/39/72/479293972.db2.gz GCRWHGDRLXDITL-MRXNPFEDSA-N -1 0 341.411 2.892 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CC=C(c3ccccc3Cl)CC2)[n-]1 ZINC000611261949 479326950 /nfs/dbraw/zinc/32/69/50/479326950.db2.gz ZCFKSCXACJRZGF-UHFFFAOYSA-N -1 0 341.802 2.688 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000586753010 479342375 /nfs/dbraw/zinc/34/23/75/479342375.db2.gz BBADXGBIHGBJKL-UHFFFAOYSA-N -1 0 341.417 2.904 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cn1 ZINC000586750171 479343031 /nfs/dbraw/zinc/34/30/31/479343031.db2.gz BOJRJCDWQNKMEU-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000574895320 479368374 /nfs/dbraw/zinc/36/83/74/479368374.db2.gz NZDRGJBOMHYYEO-UHFFFAOYSA-N -1 0 332.400 2.790 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(F)c1 ZINC000611437849 479380758 /nfs/dbraw/zinc/38/07/58/479380758.db2.gz VUNCFALINOLFTR-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)cc1 ZINC000575037042 479391906 /nfs/dbraw/zinc/39/19/06/479391906.db2.gz WCWGDMIRIXXGRN-UHFFFAOYSA-N -1 0 348.453 2.785 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000611497795 479396940 /nfs/dbraw/zinc/39/69/40/479396940.db2.gz OCDYSYQVROZOHF-UHFFFAOYSA-N -1 0 338.392 2.805 20 30 EFEDRM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000593624386 479406854 /nfs/dbraw/zinc/40/68/54/479406854.db2.gz WWQRDRMOPRHWHB-CHWSQXEVSA-N -1 0 346.424 2.789 20 30 EFEDRM C[C@](CNC(=O)N1Cc2cccc(C#N)c2C1)(C(=O)[O-])c1ccccc1 ZINC000593700460 479428753 /nfs/dbraw/zinc/42/87/53/479428753.db2.gz PQUWUOJCBLEXJE-HXUWFJFHSA-N -1 0 349.390 2.626 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCCCc1cc(=O)[nH][nH]1 ZINC000588876115 479451644 /nfs/dbraw/zinc/45/16/44/479451644.db2.gz TUKSVJYMCMAPFA-UHFFFAOYSA-N -1 0 346.390 2.611 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000575815942 479480062 /nfs/dbraw/zinc/48/00/62/479480062.db2.gz LCPDUMAHHBIGFP-AWEZNQCLSA-N -1 0 344.411 2.940 20 30 EFEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1 ZINC000604205466 479487590 /nfs/dbraw/zinc/48/75/90/479487590.db2.gz YEJYLVQKSRRYOY-JTQLQIEISA-N -1 0 349.437 2.618 20 30 EFEDRM N#Cc1nc(NC(=O)CCCc2ccc3c(c2)CCCC3)[n-]c1C#N ZINC000593893284 479500959 /nfs/dbraw/zinc/50/09/59/479500959.db2.gz DLSSEQGXSZGPIX-UHFFFAOYSA-N -1 0 333.395 2.993 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000593988013 479535040 /nfs/dbraw/zinc/53/50/40/479535040.db2.gz CEQYNTCGBDWLJP-ZDUSSCGKSA-N -1 0 335.411 2.621 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000589556211 479539980 /nfs/dbraw/zinc/53/99/80/479539980.db2.gz WODUVEYGLCQWMU-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1c(F)cccc1/C=C/c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000589555262 479540092 /nfs/dbraw/zinc/54/00/92/479540092.db2.gz NEBPIAALGDAZBH-CMDGGOBGSA-N -1 0 349.321 2.662 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000618667490 479543917 /nfs/dbraw/zinc/54/39/17/479543917.db2.gz DPTBMSFLGVDFGW-CYBMUJFWSA-N -1 0 325.397 2.518 20 30 EFEDRM CC(C)N(CCC#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597038686 479544657 /nfs/dbraw/zinc/54/46/57/479544657.db2.gz RLHAGZHJKQEFDL-UHFFFAOYSA-N -1 0 332.791 2.996 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1C#N ZINC000600182402 479567252 /nfs/dbraw/zinc/56/72/52/479567252.db2.gz BHNLNWCEQDUWBU-IUCAKERBSA-N -1 0 341.383 2.744 20 30 EFEDRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618750046 479580301 /nfs/dbraw/zinc/58/03/01/479580301.db2.gz ZSVFPLDRILZNQE-ZDUSSCGKSA-N -1 0 341.440 2.938 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC000577183856 479588861 /nfs/dbraw/zinc/58/88/61/479588861.db2.gz DUKPREJJWQALQM-HNNXBMFYSA-N -1 0 334.372 2.605 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1cccc(F)c1)[C@H](C(=O)[O-])C(C)C ZINC000577224360 479588975 /nfs/dbraw/zinc/58/89/75/479588975.db2.gz WDERSBVQPKWCDP-HNNXBMFYSA-N -1 0 343.420 2.643 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]c1C(F)(F)F ZINC000589976449 479589040 /nfs/dbraw/zinc/58/90/40/479589040.db2.gz QMNLIMDQVGHJIE-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3n[nH]nc3c2)s1 ZINC000578495557 479606912 /nfs/dbraw/zinc/60/69/12/479606912.db2.gz WMLDRVDCFWTZLB-SECBINFHSA-N -1 0 326.385 2.597 20 30 EFEDRM C[C@](C#N)(NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000597248838 479643088 /nfs/dbraw/zinc/64/30/88/479643088.db2.gz GMMYAUXGRSSWMG-GOSISDBHSA-N -1 0 340.383 2.622 20 30 EFEDRM N#Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)cc1 ZINC000618939663 479646636 /nfs/dbraw/zinc/64/66/36/479646636.db2.gz JULSGIOZYPSMOP-UHFFFAOYSA-N -1 0 327.315 2.816 20 30 EFEDRM C=C(C)COCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000612436516 479672005 /nfs/dbraw/zinc/67/20/05/479672005.db2.gz RAQYSRUOACYQGN-UHFFFAOYSA-N -1 0 335.791 2.554 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000612582087 479700776 /nfs/dbraw/zinc/70/07/76/479700776.db2.gz UTFDPXLXEDTIPQ-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM C=C[C@H](CC(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000621596601 479715051 /nfs/dbraw/zinc/71/50/51/479715051.db2.gz XSLOXLAVLQRGIP-OAHLLOKOSA-N -1 0 331.412 2.734 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000612775426 479757929 /nfs/dbraw/zinc/75/79/29/479757929.db2.gz ZHPQVVHQMZVASW-OAHLLOKOSA-N -1 0 331.331 2.906 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619461270 479800034 /nfs/dbraw/zinc/80/00/34/479800034.db2.gz FBMNFZAIURTLTG-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC(c3cccc(Cl)c3)CC2)[n-]1 ZINC000619536974 479822490 /nfs/dbraw/zinc/82/24/90/479822490.db2.gz NMHMQSVFYJNSJE-UHFFFAOYSA-N -1 0 343.818 2.779 20 30 EFEDRM C=CCNC(=O)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000614112844 480195007 /nfs/dbraw/zinc/19/50/07/480195007.db2.gz WMUKDWSJXQTODX-UHFFFAOYSA-N -1 0 343.383 2.635 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(F)c1 ZINC000610056781 480232667 /nfs/dbraw/zinc/23/26/67/480232667.db2.gz WCSNTDMTDSVJBO-UHFFFAOYSA-N -1 0 348.355 2.659 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1cccc(C#N)c1 ZINC000610321802 480280998 /nfs/dbraw/zinc/28/09/98/480280998.db2.gz IITKMOKQBWBSEC-JTQLQIEISA-N -1 0 339.380 2.974 20 30 EFEDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610338966 480282880 /nfs/dbraw/zinc/28/28/80/480282880.db2.gz YTYFUSDPPAMMMV-JTQLQIEISA-N -1 0 349.343 2.645 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H](C)COC ZINC000617580068 480287142 /nfs/dbraw/zinc/28/71/42/480287142.db2.gz PZKGUOHDSDZVCN-GFCCVEGCSA-N -1 0 349.818 2.894 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(N)=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000614388874 480292681 /nfs/dbraw/zinc/29/26/81/480292681.db2.gz ZXIDZBLRWOSIAE-SECBINFHSA-N -1 0 344.783 2.867 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)[n-]1 ZINC000610561725 480336621 /nfs/dbraw/zinc/33/66/21/480336621.db2.gz BYWRHWPVWLDFBF-DOTOQJQBSA-N -1 0 337.427 2.637 20 30 EFEDRM CC(C)N(Cc1cccc(Cl)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610560775 480336893 /nfs/dbraw/zinc/33/68/93/480336893.db2.gz KKTIJJYZYNWQNU-UHFFFAOYSA-N -1 0 331.807 2.810 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)[n-]1 ZINC000610561727 480337085 /nfs/dbraw/zinc/33/70/85/480337085.db2.gz BYWRHWPVWLDFBF-RDJZCZTQSA-N -1 0 337.427 2.637 20 30 EFEDRM CN(Cc1ccc(Cl)cc1Cl)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610561544 480337113 /nfs/dbraw/zinc/33/71/13/480337113.db2.gz MSWOUNIPPLYDPL-UHFFFAOYSA-N -1 0 338.198 2.684 20 30 EFEDRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562156 480337375 /nfs/dbraw/zinc/33/73/75/480337375.db2.gz YOPVAIRMXVUMPS-SNVBAGLBSA-N -1 0 340.412 2.548 20 30 EFEDRM CCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](C)c1ccccc1OC ZINC000610561027 480337429 /nfs/dbraw/zinc/33/74/29/480337429.db2.gz CUPAALKEHSNTSQ-CYBMUJFWSA-N -1 0 341.415 2.727 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cc2ccccc2s1 ZINC000610561125 480337512 /nfs/dbraw/zinc/33/75/12/480337512.db2.gz PHSOYZZXSJOSTN-SNVBAGLBSA-N -1 0 325.397 2.811 20 30 EFEDRM CC(C)CN(CCc1ccc(F)cc1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610564563 480337832 /nfs/dbraw/zinc/33/78/32/480337832.db2.gz JAFLHCROYJQVNS-UHFFFAOYSA-N -1 0 343.406 2.585 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2Cc3ccccc3-c3ccccc3C2)[n-]1 ZINC000610565141 480338821 /nfs/dbraw/zinc/33/88/21/480338821.db2.gz WIPUQAZSBCNWPQ-UHFFFAOYSA-N -1 0 343.390 2.928 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)[n-]1 ZINC000610652613 480355137 /nfs/dbraw/zinc/35/51/37/480355137.db2.gz ZJGREJHPROMSTF-HXUWFJFHSA-N -1 0 349.438 2.616 20 30 EFEDRM Cc1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)c(OC(C)(C)C)c1 ZINC000610655651 480356344 /nfs/dbraw/zinc/35/63/44/480356344.db2.gz BRKASVBBUSUDST-UHFFFAOYSA-N -1 0 341.415 2.521 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)C1 ZINC000617785024 480361851 /nfs/dbraw/zinc/36/18/51/480361851.db2.gz BXFGZODYMHLCKS-AWEZNQCLSA-N -1 0 336.457 2.877 20 30 EFEDRM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610711234 480370646 /nfs/dbraw/zinc/37/06/46/480370646.db2.gz AYOKHHITHPWTIK-WBVHZDCISA-N -1 0 348.374 2.845 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c1 ZINC000632183568 480435076 /nfs/dbraw/zinc/43/50/76/480435076.db2.gz YAMDEYIAKJCSRA-UHFFFAOYSA-N -1 0 347.440 2.665 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634834108 480568077 /nfs/dbraw/zinc/56/80/77/480568077.db2.gz VDRVCJLBHORJGR-SOVGHPHASA-N -1 0 349.402 2.656 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634834107 480568143 /nfs/dbraw/zinc/56/81/43/480568143.db2.gz VDRVCJLBHORJGR-IXDGSTSKSA-N -1 0 349.402 2.656 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634834067 480568397 /nfs/dbraw/zinc/56/83/97/480568397.db2.gz UCUQJZNYLFQKDH-YLQAJVPDSA-N -1 0 337.441 2.578 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)[C@](CC)(CC(=O)[O-])c1ccc(C)cc1 ZINC000634840276 480573409 /nfs/dbraw/zinc/57/34/09/480573409.db2.gz HLDGAKOIIRXYJE-JTDSTZFVSA-N -1 0 331.412 2.577 20 30 EFEDRM C=C(C)COCCNC(=O)[C@](CC)(CC(=O)[O-])c1ccc(C)cc1 ZINC000634909244 480625514 /nfs/dbraw/zinc/62/55/14/480625514.db2.gz BCXNTINDMMVPOK-LJQANCHMSA-N -1 0 333.428 2.826 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630258147 480636186 /nfs/dbraw/zinc/63/61/86/480636186.db2.gz KGQFFSLYVZNHEK-WDEREUQCSA-N -1 0 325.336 2.597 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630259135 480636389 /nfs/dbraw/zinc/63/63/89/480636389.db2.gz WYCPQGNONHZREN-NSHDSACASA-N -1 0 325.336 2.599 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC000630317482 480667883 /nfs/dbraw/zinc/66/78/83/480667883.db2.gz QJALSORMSZJEOS-INIZCTEOSA-N -1 0 327.380 3.000 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000630318225 480668543 /nfs/dbraw/zinc/66/85/43/480668543.db2.gz FUABYQKYHJQVAP-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000630318635 480668926 /nfs/dbraw/zinc/66/89/26/480668926.db2.gz KPYWDDQIYHNEAE-GFCCVEGCSA-N -1 0 331.290 2.663 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630322421 480670933 /nfs/dbraw/zinc/67/09/33/480670933.db2.gz SBNBJVCAPHNAEN-SUMWQHHRSA-N -1 0 326.396 2.949 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC000630322467 480670992 /nfs/dbraw/zinc/67/09/92/480670992.db2.gz TYTKNQKTECYCBX-VIFPVBQESA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000630324532 480671913 /nfs/dbraw/zinc/67/19/13/480671913.db2.gz FLLBPWBTYBUWHE-JOYOIKCWSA-N -1 0 329.755 2.782 20 30 EFEDRM CC#CC[C@H](CO)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000645406893 480828062 /nfs/dbraw/zinc/82/80/62/480828062.db2.gz DRKUUOHDMMEGEF-ZCFIWIBFSA-N -1 0 343.168 2.533 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000632980515 480833154 /nfs/dbraw/zinc/83/31/54/480833154.db2.gz HIIPLWSHCVDBQS-UHFFFAOYSA-N -1 0 336.363 2.571 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000645968943 480995099 /nfs/dbraw/zinc/99/50/99/480995099.db2.gz LYNXNONMNYWOHC-UHFFFAOYSA-N -1 0 327.402 2.735 20 30 EFEDRM C=CCCS(=O)(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000646024053 481027881 /nfs/dbraw/zinc/02/78/81/481027881.db2.gz OBXAYCHMOFDALH-MRXNPFEDSA-N -1 0 347.436 2.579 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646171095 481138146 /nfs/dbraw/zinc/13/81/46/481138146.db2.gz WWXOGMZFRPZEJK-UHFFFAOYSA-N -1 0 338.448 2.646 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCC1 ZINC000659067030 481198242 /nfs/dbraw/zinc/19/82/42/481198242.db2.gz FFSLKYDGXOLWRP-UHFFFAOYSA-N -1 0 344.411 2.647 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](CCC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659155913 481238554 /nfs/dbraw/zinc/23/85/54/481238554.db2.gz GRBJZXVFTHKGJO-LSDHHAIUSA-N -1 0 339.819 2.996 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C)C(=O)[O-] ZINC000653472351 481270343 /nfs/dbraw/zinc/27/03/43/481270343.db2.gz MZOZOXYRVMEJLG-XHDPSFHLSA-N -1 0 333.432 2.685 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c(OC)c1 ZINC000659232613 481292335 /nfs/dbraw/zinc/29/23/35/481292335.db2.gz CCBKNJJDUBXNCC-QFBILLFUSA-N -1 0 347.411 2.562 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659237217 481298603 /nfs/dbraw/zinc/29/86/03/481298603.db2.gz BDUDBKOONAUUSL-YJBOKZPZSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000653658063 481391467 /nfs/dbraw/zinc/39/14/67/481391467.db2.gz QKVCASQEJBJPBB-AWEZNQCLSA-N -1 0 337.803 2.534 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1c(C)sc2c1cccc2C)C(=O)[O-] ZINC000643297538 481392209 /nfs/dbraw/zinc/39/22/09/481392209.db2.gz NMLRVDRSKLOHIA-GFCCVEGCSA-N -1 0 339.438 2.826 20 30 EFEDRM C=CCCn1cc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)nn1 ZINC000659794065 481553262 /nfs/dbraw/zinc/55/32/62/481553262.db2.gz MVYUEDNJSPALPS-DLBZAZTESA-N -1 0 326.400 2.645 20 30 EFEDRM C=CCCn1cc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])nn1 ZINC000659793392 481553744 /nfs/dbraw/zinc/55/37/44/481553744.db2.gz UKMHTQNGHBIHIM-NVXWUHKLSA-N -1 0 332.448 2.710 20 30 EFEDRM C=CCCn1cc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])nn1 ZINC000659793394 481553932 /nfs/dbraw/zinc/55/39/32/481553932.db2.gz UKMHTQNGHBIHIM-WBVHZDCISA-N -1 0 332.448 2.710 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000659795995 481556356 /nfs/dbraw/zinc/55/63/56/481556356.db2.gz VSRMLTDFVFNHOD-QWHCGFSZSA-N -1 0 331.290 2.598 20 30 EFEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371959 481787558 /nfs/dbraw/zinc/78/75/58/481787558.db2.gz AUFRMFVFHKHTRO-ZDUSSCGKSA-N -1 0 346.433 2.914 20 30 EFEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378117 481793127 /nfs/dbraw/zinc/79/31/27/481793127.db2.gz WHOHGXWRSMOQMX-ZDUSSCGKSA-N -1 0 325.393 2.870 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000654800283 482056849 /nfs/dbraw/zinc/05/68/49/482056849.db2.gz NNUDIPYIOCCMOS-KBPBESRZSA-N -1 0 336.363 2.758 20 30 EFEDRM O=C([O-])CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000666513218 482361245 /nfs/dbraw/zinc/36/12/45/482361245.db2.gz OLTYKYIOMAQCKV-UHFFFAOYSA-N -1 0 342.317 2.611 20 30 EFEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000174218242 533726425 /nfs/dbraw/zinc/72/64/25/533726425.db2.gz INCRXSWNFBESCK-GHMZBOCLSA-N -1 0 340.832 2.843 20 30 EFEDRM C=C(C)[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000263423567 534337452 /nfs/dbraw/zinc/33/74/52/534337452.db2.gz XJOUQHARTJVUBI-YGRLFVJLSA-N -1 0 326.343 2.944 20 30 EFEDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000065833840 519162898 /nfs/dbraw/zinc/16/28/98/519162898.db2.gz WHSRSJUSXYBUJB-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000263376207 534408887 /nfs/dbraw/zinc/40/88/87/534408887.db2.gz WQODWUHKSAVQQP-IUODEOHRSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000263114897 534407978 /nfs/dbraw/zinc/40/79/78/534407978.db2.gz UYTXKWOWGIFOMW-IUODEOHRSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000263114899 534409267 /nfs/dbraw/zinc/40/92/67/534409267.db2.gz UYTXKWOWGIFOMW-SWLSCSKDSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCc1cc(C(=O)NCCCCCC(=O)[O-])cc(OC)c1OC ZINC000299343560 534409608 /nfs/dbraw/zinc/40/96/08/534409608.db2.gz HSSQBXWCSGXQEQ-UHFFFAOYSA-N -1 0 335.400 2.807 20 30 EFEDRM C=CCn1c(C)cc(C(O)=CSc2nc(=O)c3cn[nH]c3[n-]2)c1C ZINC000298698781 534432552 /nfs/dbraw/zinc/43/25/52/534432552.db2.gz UOLVOXCWFWNCME-UHFFFAOYSA-N -1 0 343.412 2.638 20 30 EFEDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000073314046 519539494 /nfs/dbraw/zinc/53/94/94/519539494.db2.gz RNCRNNUAWAFFDL-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000058495278 519719489 /nfs/dbraw/zinc/71/94/89/519719489.db2.gz CNNPXRIVXRBZOY-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195445974 519775892 /nfs/dbraw/zinc/77/58/92/519775892.db2.gz WLCBKBVFBCEXIT-UHFFFAOYSA-N -1 0 331.397 2.679 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263181488 519778372 /nfs/dbraw/zinc/77/83/72/519778372.db2.gz UHUJKMYHPKXXCQ-GXTWGEPZSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263181492 519778383 /nfs/dbraw/zinc/77/83/83/519778383.db2.gz UHUJKMYHPKXXCQ-OCCSQVGLSA-N -1 0 345.399 2.920 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(C)c1 ZINC000195445400 520403277 /nfs/dbraw/zinc/40/32/77/520403277.db2.gz WAJKIAIMSTYWMU-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)O1 ZINC000188975277 534522847 /nfs/dbraw/zinc/52/28/47/534522847.db2.gz FYBNIEWAUYWBNO-MSOLQXFVSA-N -1 0 335.359 2.657 20 30 EFEDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195445416 520917296 /nfs/dbraw/zinc/91/72/96/520917296.db2.gz SECWOKOBWDVBDU-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000048676039 521272129 /nfs/dbraw/zinc/27/21/29/521272129.db2.gz ZYCBGRTUFPLRBJ-UHFFFAOYSA-N -1 0 335.429 2.651 20 30 EFEDRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120568537 521554149 /nfs/dbraw/zinc/55/41/49/521554149.db2.gz YTHHZTWFTCZTCQ-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)ccc1C ZINC000183396051 521914354 /nfs/dbraw/zinc/91/43/54/521914354.db2.gz GFMDKKONOUQVML-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)cc12 ZINC000186640001 522927809 /nfs/dbraw/zinc/92/78/09/522927809.db2.gz RGXWSALTARIAQK-UHFFFAOYSA-N -1 0 346.343 2.597 20 30 EFEDRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000180182888 523002674 /nfs/dbraw/zinc/00/26/74/523002674.db2.gz VRSLXIIOXDOASV-UHFFFAOYSA-N -1 0 348.380 2.610 20 30 EFEDRM CCc1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)s1 ZINC000060648563 523939304 /nfs/dbraw/zinc/93/93/04/523939304.db2.gz NZOARMALLIEJJK-UHFFFAOYSA-N -1 0 333.438 2.935 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000076839262 524878218 /nfs/dbraw/zinc/87/82/18/524878218.db2.gz HJMCDBYLQFRUOT-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263067353 534879927 /nfs/dbraw/zinc/87/99/27/534879927.db2.gz RCEMTJLJCCDFMW-ZDUSSCGKSA-N -1 0 345.317 2.567 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000077966265 526194327 /nfs/dbraw/zinc/19/43/27/526194327.db2.gz DRIBLHLJTHMQNS-UHFFFAOYSA-N -1 0 346.456 2.990 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)cc2C)cc1C#N ZINC000074383907 526213896 /nfs/dbraw/zinc/21/38/96/526213896.db2.gz SKFSJFINARVCRO-UHFFFAOYSA-N -1 0 327.409 2.928 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCc2ccccc2)cc1C#N ZINC000074373271 526214135 /nfs/dbraw/zinc/21/41/35/526214135.db2.gz MHBQVIFVAHXWHD-UHFFFAOYSA-N -1 0 327.409 2.695 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000185109564 526385221 /nfs/dbraw/zinc/38/52/21/526385221.db2.gz XWOGFWCUZGPUPD-UHFFFAOYSA-N -1 0 335.356 2.905 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(F)c1 ZINC000177374633 526556876 /nfs/dbraw/zinc/55/68/76/526556876.db2.gz ATSJOUHFPCNSIX-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000010514737 526574178 /nfs/dbraw/zinc/57/41/78/526574178.db2.gz BMMWBPJAVIMSMP-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CC(C)(C)Sc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1 ZINC000181220433 526605532 /nfs/dbraw/zinc/60/55/32/526605532.db2.gz RTPASEVZQDORPQ-UHFFFAOYSA-N -1 0 326.385 2.691 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000075177577 526639058 /nfs/dbraw/zinc/63/90/58/526639058.db2.gz YGAQCRVLEMPLJZ-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM C=CCOC(=O)c1sc2[n-]c([C@@H]3CC(CC)=NO3)nc(=O)c2c1C ZINC000172996452 526684016 /nfs/dbraw/zinc/68/40/16/526684016.db2.gz OZIGYGDHRICLTC-JTQLQIEISA-N -1 0 347.396 2.863 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cccs3)ns2)cc1 ZINC000181118310 526685243 /nfs/dbraw/zinc/68/52/43/526685243.db2.gz CJPLMBXTTBMAJG-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000089540960 526685735 /nfs/dbraw/zinc/68/57/35/526685735.db2.gz BRTCNGMMKVBZFD-UHFFFAOYSA-N -1 0 329.337 2.903 20 30 EFEDRM N#Cc1nc(NC(=O)c2cnc(-c3ccccc3F)s2)[n-]c1C#N ZINC000063092686 526787173 /nfs/dbraw/zinc/78/71/73/526787173.db2.gz NZBWBUTWTXTUCQ-UHFFFAOYSA-N -1 0 338.327 2.668 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000162977962 527681352 /nfs/dbraw/zinc/68/13/52/527681352.db2.gz LVNSQFMJRTVRFS-UHFFFAOYSA-N -1 0 326.400 2.980 20 30 EFEDRM CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000179394759 528979015 /nfs/dbraw/zinc/97/90/15/528979015.db2.gz OBLQPJKIEPGWHU-HNNXBMFYSA-N -1 0 334.441 2.721 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1 ZINC000362128166 534953707 /nfs/dbraw/zinc/95/37/07/534953707.db2.gz DCUJYVASAQBMJM-JTQLQIEISA-N -1 0 337.305 2.937 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263475033 534972379 /nfs/dbraw/zinc/97/23/79/534972379.db2.gz IZFPZOXAOGXJCI-KRWDZBQOSA-N -1 0 331.372 2.674 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1ncc(CC(=O)OCC)s1 ZINC000296679928 534989272 /nfs/dbraw/zinc/98/92/72/534989272.db2.gz IBHFGADIBOBOOD-UHFFFAOYSA-N -1 0 348.490 2.961 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357021614 535003763 /nfs/dbraw/zinc/00/37/63/535003763.db2.gz AOTYPMNPSPCQNV-UHFFFAOYSA-N -1 0 326.381 2.555 20 30 EFEDRM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000192760403 535004011 /nfs/dbraw/zinc/00/40/11/535004011.db2.gz AAEPCCKEUAZMKL-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM CC(C)(CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000424407211 535033211 /nfs/dbraw/zinc/03/32/11/535033211.db2.gz SATFOVXJIDSXNY-CVEARBPZSA-N -1 0 343.427 2.969 20 30 EFEDRM CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416935853 535126083 /nfs/dbraw/zinc/12/60/83/535126083.db2.gz GYLJVRKVRQIWIK-LLVKDONJSA-N -1 0 343.836 2.524 20 30 EFEDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cccn3c([O-])nnc23)C1 ZINC000329352753 535339439 /nfs/dbraw/zinc/33/94/39/535339439.db2.gz URWQHJCSCMLTDK-NEPJUHHUSA-N -1 0 345.403 2.663 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC000352900171 535400141 /nfs/dbraw/zinc/40/01/41/535400141.db2.gz IPFQPNPDKLKLQH-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355883049 535696846 /nfs/dbraw/zinc/69/68/46/535696846.db2.gz KZRLOIBMGSDBDE-UHFFFAOYSA-N -1 0 341.392 2.824 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(C)nc2C(C)C)n1 ZINC000354688724 535728804 /nfs/dbraw/zinc/72/88/04/535728804.db2.gz WCGVPJDJLZKMNO-SNVBAGLBSA-N -1 0 346.412 2.667 20 30 EFEDRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc21 ZINC000435503737 535841006 /nfs/dbraw/zinc/84/10/06/535841006.db2.gz WOHPWHVWKQEFKE-UHFFFAOYSA-N -1 0 332.410 2.790 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360561139 536183867 /nfs/dbraw/zinc/18/38/67/536183867.db2.gz NKILZSOMJMWMRK-LJQANCHMSA-N -1 0 348.410 2.622 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1OC ZINC000343812870 536614394 /nfs/dbraw/zinc/61/43/94/536614394.db2.gz NMUMAKFFVOCODK-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356751344 536657911 /nfs/dbraw/zinc/65/79/11/536657911.db2.gz JUXUURITJGOYJU-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000350898136 536787225 /nfs/dbraw/zinc/78/72/25/536787225.db2.gz QMKWVXBNLPGNMQ-UHFFFAOYSA-N -1 0 346.408 2.823 20 30 EFEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000194213178 537096966 /nfs/dbraw/zinc/09/69/66/537096966.db2.gz VSLODNHZLJWUNL-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000320390789 545816379 /nfs/dbraw/zinc/81/63/79/545816379.db2.gz DCTYXILZGJIHEB-UHFFFAOYSA-N -1 0 332.381 2.645 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1C(C)C ZINC000359727900 546121037 /nfs/dbraw/zinc/12/10/37/546121037.db2.gz VXZPDXWMWGCLNU-UHFFFAOYSA-N -1 0 339.399 2.796 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575149 546489195 /nfs/dbraw/zinc/48/91/95/546489195.db2.gz GSLNRRHMIWHVLF-FRRDWIJNSA-N -1 0 332.400 2.512 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655892698 546627821 /nfs/dbraw/zinc/62/78/21/546627821.db2.gz XRQGSCCAGHNGRJ-INIZCTEOSA-N -1 0 334.416 2.750 20 30 EFEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)nn1 ZINC000656565397 546843606 /nfs/dbraw/zinc/84/36/06/546843606.db2.gz NBXUKOIXUYCEPL-HNNXBMFYSA-N -1 0 334.807 2.813 20 30 EFEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)nn1 ZINC000656574775 546847623 /nfs/dbraw/zinc/84/76/23/546847623.db2.gz YQSVWWVTSHCDLI-AWEZNQCLSA-N -1 0 338.770 2.562 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000656716466 546899709 /nfs/dbraw/zinc/89/97/09/546899709.db2.gz GHJYQYMEGVIXEI-GDBMZVCRSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759703 546914342 /nfs/dbraw/zinc/91/43/42/546914342.db2.gz JWLNDBNNRDSQGE-ZBFHGGJFSA-N -1 0 330.428 2.678 20 30 EFEDRM C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759701 546914683 /nfs/dbraw/zinc/91/46/83/546914683.db2.gz JWLNDBNNRDSQGE-HOCLYGCPSA-N -1 0 330.428 2.678 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1 ZINC000678027450 548823450 /nfs/dbraw/zinc/82/34/50/548823450.db2.gz IITVPPQENOPWQR-SNVBAGLBSA-N -1 0 329.360 2.927 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)C(=O)[O-] ZINC000681579663 549570829 /nfs/dbraw/zinc/57/08/29/549570829.db2.gz QJRGRSPJHBCCGR-CQSZACIVSA-N -1 0 349.408 2.546 20 30 EFEDRM COc1cncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000682992235 549835456 /nfs/dbraw/zinc/83/54/56/549835456.db2.gz YXOOMBUTACEIML-SECBINFHSA-N -1 0 328.328 2.724 20 30 EFEDRM C=CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1)C1CC1 ZINC000683341212 549885347 /nfs/dbraw/zinc/88/53/47/549885347.db2.gz MDGBIMHHIHNLIA-UHFFFAOYSA-N -1 0 325.368 2.670 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2cc(F)ccc2s1 ZINC000685787835 550182321 /nfs/dbraw/zinc/18/23/21/550182321.db2.gz BXVAPDIXTWPUQL-VIFPVBQESA-N -1 0 328.328 2.514 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ocnc1C ZINC000755601056 575606592 /nfs/dbraw/zinc/60/65/92/575606592.db2.gz DASHYYFAFZRLJA-JTQLQIEISA-N -1 0 347.758 2.915 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c(O)cccc1Cl ZINC000755616281 575608898 /nfs/dbraw/zinc/60/88/98/575608898.db2.gz BFKLGCPDEPUONV-UHFFFAOYSA-N -1 0 331.784 2.926 20 30 EFEDRM CC[C@H](C)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755645209 575612939 /nfs/dbraw/zinc/61/29/39/575612939.db2.gz LPWQZDPSTRKVTO-LBPRGKRZSA-N -1 0 333.417 2.721 20 30 EFEDRM CC(C)(C)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755646022 575613056 /nfs/dbraw/zinc/61/30/56/575613056.db2.gz QEOMYKDOLKQGGR-UHFFFAOYSA-N -1 0 333.417 2.721 20 30 EFEDRM COc1cc(C=NNCCCc2ccccc2)ccc1OCC(=O)[O-] ZINC000755696590 575619711 /nfs/dbraw/zinc/61/97/11/575619711.db2.gz QZTVAASQAPNJCD-UHFFFAOYSA-N -1 0 342.395 2.715 20 30 EFEDRM C=C(C)CN(C)C(=O)c1cccc(I)c1[O-] ZINC000756122077 575687987 /nfs/dbraw/zinc/68/79/87/575687987.db2.gz LRPUEGHTOAIZTP-UHFFFAOYSA-N -1 0 331.153 2.645 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)OCC ZINC000756500054 575749482 /nfs/dbraw/zinc/74/94/82/575749482.db2.gz RMYYVXOCEPSUMJ-ZDUSSCGKSA-N -1 0 331.821 2.516 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)cc2c1OCO2 ZINC000756899410 575798548 /nfs/dbraw/zinc/79/85/48/575798548.db2.gz ZMKAPTMXSPEOOK-UHFFFAOYSA-N -1 0 344.323 2.577 20 30 EFEDRM COc1cc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)ccc1O ZINC000756901717 575798957 /nfs/dbraw/zinc/79/89/57/575798957.db2.gz YBDQPZHMGFBMRQ-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM CCc1nn(C)c(CC)c1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000756905551 575799702 /nfs/dbraw/zinc/79/97/02/575799702.db2.gz CPQKBTUYGFDIQK-UHFFFAOYSA-N -1 0 330.388 2.698 20 30 EFEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1C#N ZINC000756906196 575799714 /nfs/dbraw/zinc/79/97/14/575799714.db2.gz UGZBECOXEAOFKF-UHFFFAOYSA-N -1 0 325.324 2.720 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757306327 575836608 /nfs/dbraw/zinc/83/66/08/575836608.db2.gz QVBFCJMAYMSBRB-AWEZNQCLSA-N -1 0 340.782 2.733 20 30 EFEDRM CC(=NNc1nc2ccccc2n1C)c1cccc(OCC(=O)[O-])c1 ZINC000757460812 575839653 /nfs/dbraw/zinc/83/96/53/575839653.db2.gz GZIUEHSHAGLDLV-UHFFFAOYSA-N -1 0 338.367 2.873 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1 ZINC000757467816 575839880 /nfs/dbraw/zinc/83/98/80/575839880.db2.gz MWHMUUNIROLSLP-XVNBXDOJSA-N -1 0 328.320 2.847 20 30 EFEDRM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1ccc(O)cc1[O-] ZINC000757467691 575839985 /nfs/dbraw/zinc/83/99/85/575839985.db2.gz KAJYLYWNHQEWNI-KXFIGUGUSA-N -1 0 325.299 2.714 20 30 EFEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1 ZINC000757468888 575840191 /nfs/dbraw/zinc/84/01/91/575840191.db2.gz YZQSYGWZDNVBGW-GQCTYLIASA-N -1 0 328.320 2.847 20 30 EFEDRM O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000757476203 575840336 /nfs/dbraw/zinc/84/03/36/575840336.db2.gz OIFQQAJJOWZNAI-ONEGZZNKSA-N -1 0 331.322 2.957 20 30 EFEDRM Cc1sc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c(C#N)c1C ZINC000757800494 575853315 /nfs/dbraw/zinc/85/33/15/575853315.db2.gz MLRMGXNNRWDBOV-UHFFFAOYSA-N -1 0 333.335 2.632 20 30 EFEDRM COC(=O)[C@H](C)Oc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000758372350 575867944 /nfs/dbraw/zinc/86/79/44/575867944.db2.gz QCVFGOXQVKWCJL-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM C[C@H]1CCCCN1C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000758423399 575869372 /nfs/dbraw/zinc/86/93/72/575869372.db2.gz GCQDYWJXAZENNM-ZDUSSCGKSA-N -1 0 332.448 2.743 20 30 EFEDRM CCO[C@@H]1COCC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758814489 575877867 /nfs/dbraw/zinc/87/78/67/575877867.db2.gz HCFISDLRGINLPN-PKKFTADVSA-N -1 0 328.752 2.567 20 30 EFEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCO2 ZINC000758930385 575880482 /nfs/dbraw/zinc/88/04/82/575880482.db2.gz IFBLDFDCZVZBDH-ONEGZZNKSA-N -1 0 343.291 2.934 20 30 EFEDRM CNC(=O)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759089518 575884376 /nfs/dbraw/zinc/88/43/76/575884376.db2.gz GMZHMERTXHTINN-XBXARRHUSA-N -1 0 326.308 2.556 20 30 EFEDRM O=C(/C=C/c1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088942 575884385 /nfs/dbraw/zinc/88/43/85/575884385.db2.gz DIBPDYMZPWBDIW-ONEGZZNKSA-N -1 0 341.245 2.955 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000759091373 575884407 /nfs/dbraw/zinc/88/44/07/575884407.db2.gz RAXRHYWVHYWGHN-HWKANZROSA-N -1 0 338.323 2.787 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000759111352 575884851 /nfs/dbraw/zinc/88/48/51/575884851.db2.gz LEFDXLIIEZFCJR-UHFFFAOYSA-N -1 0 347.720 2.692 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000759152071 575885703 /nfs/dbraw/zinc/88/57/03/575885703.db2.gz XMYZJRPFJUHLEM-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM COc1ccc(C=NNc2cc(F)cc(OC)c2)c(OCC(=O)[O-])c1 ZINC000759213227 575887167 /nfs/dbraw/zinc/88/71/67/575887167.db2.gz XHOCVOJHRVBENY-UHFFFAOYSA-N -1 0 348.330 2.752 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CCCC1 ZINC000759235836 575887389 /nfs/dbraw/zinc/88/73/89/575887389.db2.gz NKYXSAQZAVEKIH-ZDUSSCGKSA-N -1 0 330.384 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccoc1C ZINC000759238935 575887526 /nfs/dbraw/zinc/88/75/26/575887526.db2.gz YPCHQOLHZGWBNF-CYBMUJFWSA-N -1 0 342.351 2.915 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1CCC1 ZINC000759242953 575887600 /nfs/dbraw/zinc/88/76/00/575887600.db2.gz QOQASMDWPAHWGY-CYBMUJFWSA-N -1 0 330.384 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C(C)C ZINC000759242097 575887606 /nfs/dbraw/zinc/88/76/06/575887606.db2.gz OAWSXROUPTXKIV-ZWNOBZJWSA-N -1 0 332.400 2.992 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1occc1C ZINC000759241724 575887612 /nfs/dbraw/zinc/88/76/12/575887612.db2.gz XKRYYSVZEITUPJ-LBPRGKRZSA-N -1 0 342.351 2.915 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC1(C)C ZINC000759241633 575887618 /nfs/dbraw/zinc/88/76/18/575887618.db2.gz WQENKCDOISTEJO-NWDGAFQWSA-N -1 0 330.384 2.746 20 30 EFEDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000759395395 575890772 /nfs/dbraw/zinc/89/07/72/575890772.db2.gz NLERHIXCPVNTTM-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000759426638 575891448 /nfs/dbraw/zinc/89/14/48/575891448.db2.gz PVVFBWVYCANVRG-NSHDSACASA-N -1 0 349.312 2.868 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759432736 575891619 /nfs/dbraw/zinc/89/16/19/575891619.db2.gz YRNBNZITTZKLPT-MRVPVSSYSA-N -1 0 332.228 2.608 20 30 EFEDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000759451473 575892010 /nfs/dbraw/zinc/89/20/10/575892010.db2.gz APMCFDAINWPACL-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000759499776 575893302 /nfs/dbraw/zinc/89/33/02/575893302.db2.gz PSJFZGNLFNEKMM-UHFFFAOYSA-N -1 0 344.323 2.605 20 30 EFEDRM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759712645 575924588 /nfs/dbraw/zinc/92/45/88/575924588.db2.gz DVRNELAEZVZHRE-ZDUSSCGKSA-N -1 0 347.440 2.540 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713239 575924703 /nfs/dbraw/zinc/92/47/03/575924703.db2.gz JRCBMLGDKNILPH-CHWSQXEVSA-N -1 0 345.399 2.896 20 30 EFEDRM O=C1Nc2c(ccc(Cl)c2Cl)C1=N[N-]c1ncc(F)cn1 ZINC000760246843 575995103 /nfs/dbraw/zinc/99/51/03/575995103.db2.gz JOPSZSSFWCLTTE-UHFFFAOYSA-N -1 0 326.118 2.691 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000761289127 576140571 /nfs/dbraw/zinc/14/05/71/576140571.db2.gz OITXQQNMFUYHAG-CYBMUJFWSA-N -1 0 349.433 2.798 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC000761289497 576140783 /nfs/dbraw/zinc/14/07/83/576140783.db2.gz SDOPVDOWOOKHAY-MRXNPFEDSA-N -1 0 347.367 2.567 20 30 EFEDRM CC(=NNc1cnn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000761884624 576224984 /nfs/dbraw/zinc/22/49/84/576224984.db2.gz IYKJNAKEBRTCCM-UHFFFAOYSA-N -1 0 327.157 2.863 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761951302 576233533 /nfs/dbraw/zinc/23/35/33/576233533.db2.gz SRTPMLJMFZEURF-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762023677 576244741 /nfs/dbraw/zinc/24/47/41/576244741.db2.gz GBGIAYBIUOIZSH-AEFFLSMTSA-N -1 0 340.423 2.962 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(OC2CCCC2)c1 ZINC000762049663 576249631 /nfs/dbraw/zinc/24/96/31/576249631.db2.gz GEDZQTBFPAIVRW-UHFFFAOYSA-N -1 0 333.384 2.729 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000762049649 576249650 /nfs/dbraw/zinc/24/96/50/576249650.db2.gz BDHFQFRKVLOURH-UHFFFAOYSA-N -1 0 334.372 2.746 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2c3cc(Cl)ccc3NC2=O)n1 ZINC000762607691 576317433 /nfs/dbraw/zinc/31/74/33/576317433.db2.gz HXFQFNPMXVINTD-UHFFFAOYSA-N -1 0 344.806 2.745 20 30 EFEDRM COC(=O)[C@H](OC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC000762822707 576334802 /nfs/dbraw/zinc/33/48/02/576334802.db2.gz JSMRKNFJVPCDQI-OAHLLOKOSA-N -1 0 345.738 2.988 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c(OC)cc1O ZINC000763106130 576361799 /nfs/dbraw/zinc/36/17/99/576361799.db2.gz OEGDHYMZZZHFJF-XQRVVYSFSA-N -1 0 345.307 2.919 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccncc2)ccc1OCCC(=O)[O-] ZINC000763369568 576374542 /nfs/dbraw/zinc/37/45/42/576374542.db2.gz NMALNGDXYAFWFA-RQOWECAXSA-N -1 0 327.336 2.840 20 30 EFEDRM COc1ccccc1N1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000763368404 576374570 /nfs/dbraw/zinc/37/45/70/576374570.db2.gz NEFADINQHICQGM-UHFFFAOYSA-N -1 0 340.383 2.857 20 30 EFEDRM COc1cc(F)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763371695 576374598 /nfs/dbraw/zinc/37/45/98/576374598.db2.gz IRDCXAKJVOTSDD-UHFFFAOYSA-N -1 0 333.319 2.772 20 30 EFEDRM COCCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763370831 576374693 /nfs/dbraw/zinc/37/46/93/576374693.db2.gz VRSNSAPQLXHOQL-UHFFFAOYSA-N -1 0 329.356 2.641 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000763375030 576374731 /nfs/dbraw/zinc/37/47/31/576374731.db2.gz UHLHEWGNNYECPR-UHFFFAOYSA-N -1 0 340.401 2.657 20 30 EFEDRM CCn1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])c(OC)c2)cn1 ZINC000763373228 576374795 /nfs/dbraw/zinc/37/47/95/576374795.db2.gz JKPGPOJLQWEWBZ-XQRVVYSFSA-N -1 0 344.367 2.661 20 30 EFEDRM C[C@H](Oc1cccc(CN=Nc2ncnc3ccsc32)c1)C(=O)[O-] ZINC000764839829 576510169 /nfs/dbraw/zinc/51/01/69/576510169.db2.gz DYYBWGCOWOKCKK-JTQLQIEISA-N -1 0 342.380 2.989 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNCc3ccc(F)c(F)c3)[nH]nc2c1 ZINC000765573056 577055283 /nfs/dbraw/zinc/05/52/83/577055283.db2.gz HSINGDINIWEGPZ-UHFFFAOYSA-N -1 0 330.294 2.663 20 30 EFEDRM COC(=O)c1coc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC000766452142 577151932 /nfs/dbraw/zinc/15/19/32/577151932.db2.gz AQERTHLYHLJORM-UHFFFAOYSA-N -1 0 332.312 2.609 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000766502511 577159037 /nfs/dbraw/zinc/15/90/37/577159037.db2.gz OQIFSXDCLZCEEP-XUIVZRPNSA-N -1 0 344.319 2.814 20 30 EFEDRM C#CCCCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000766899190 577187110 /nfs/dbraw/zinc/18/71/10/577187110.db2.gz NCQSDNPEUKYJDO-UHFFFAOYSA-N -1 0 334.169 2.861 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1OC ZINC000767077433 577195431 /nfs/dbraw/zinc/19/54/31/577195431.db2.gz PWVKXMAKNSZGJY-FUVBFXSKSA-N -1 0 345.395 2.643 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cncc(C)c2)ccc1OCC(=O)[O-] ZINC000767367203 577206389 /nfs/dbraw/zinc/20/63/89/577206389.db2.gz MTIWOHBKICKISA-HYXAFXHYSA-N -1 0 327.336 2.758 20 30 EFEDRM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(C(F)(F)F)c1 ZINC000767456197 577209128 /nfs/dbraw/zinc/20/91/28/577209128.db2.gz LUQVIMWOCYBHLY-NSHDSACASA-N -1 0 348.271 2.937 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1 ZINC000767729083 577230799 /nfs/dbraw/zinc/23/07/99/577230799.db2.gz KSHLMCFKSVXCHG-YHYXMXQVSA-N -1 0 340.331 2.833 20 30 EFEDRM Cc1nnc(NN=Cc2cc(Br)ccc2Cl)[n-]c1=O ZINC000767760302 577232289 /nfs/dbraw/zinc/23/22/89/577232289.db2.gz HIYNKSRXTJWFPZ-UHFFFAOYSA-N -1 0 342.584 2.748 20 30 EFEDRM COc1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767798860 577234692 /nfs/dbraw/zinc/23/46/92/577234692.db2.gz ZSWNBARYTMUTGB-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)Nc1ccccn1)CCC2 ZINC000767803274 577235041 /nfs/dbraw/zinc/23/50/41/577235041.db2.gz KPCAZFPKBBPLSZ-UHFFFAOYSA-N -1 0 344.396 2.708 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21 ZINC000767961394 577245293 /nfs/dbraw/zinc/24/52/93/577245293.db2.gz XRRLBZRMGOENSR-AWEZNQCLSA-N -1 0 330.409 2.767 20 30 EFEDRM N#C[C@@H](C(=O)CCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739074090 577265232 /nfs/dbraw/zinc/26/52/32/577265232.db2.gz GWUBNNPJHZKQAP-VIFPVBQESA-N -1 0 336.298 2.655 20 30 EFEDRM N#CCCn1ncc2c1ncnc2Oc1ccc(C(=O)[O-])cc1Cl ZINC000739075502 577266395 /nfs/dbraw/zinc/26/63/95/577266395.db2.gz GJUCFSSXUCNKKB-UHFFFAOYSA-N -1 0 343.730 2.884 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000768361714 577268579 /nfs/dbraw/zinc/26/85/79/577268579.db2.gz UZMHVVLVVOQESY-UHFFFAOYSA-N -1 0 332.726 2.606 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000739077514 577268817 /nfs/dbraw/zinc/26/88/17/577268817.db2.gz OZISTQOOSKMAQE-VHSXEESVSA-N -1 0 327.167 2.534 20 30 EFEDRM Cc1nnc(NN=C2CCCOc3c2cccc3C(C)C)[n-]c1=O ZINC000768476570 577277244 /nfs/dbraw/zinc/27/72/44/577277244.db2.gz QFIUGGJCKZTCLT-UHFFFAOYSA-N -1 0 327.388 2.998 20 30 EFEDRM O=C([O-])CCOc1cccc(C=C2CCc3[nH]c(=O)ccc3C2=O)c1 ZINC000768840507 577308087 /nfs/dbraw/zinc/30/80/87/577308087.db2.gz DRYQBIKHEHHHGH-RAXLEYEMSA-N -1 0 339.347 2.853 20 30 EFEDRM Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738942246 577320980 /nfs/dbraw/zinc/32/09/80/577320980.db2.gz YXQPVJVKAOUGDD-BJOHPYRUSA-N -1 0 328.324 2.636 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nc(-c2ccccc2)no1 ZINC000726423285 577365171 /nfs/dbraw/zinc/36/51/71/577365171.db2.gz FHMDVRPNBUMTCK-UHFFFAOYSA-N -1 0 349.375 2.617 20 30 EFEDRM COCCN(C(=O)c1cccc(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737764428 577374012 /nfs/dbraw/zinc/37/40/12/577374012.db2.gz GKJFWMLEDODPDW-UHFFFAOYSA-N -1 0 339.351 2.941 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2coc(C3CCC3)n2)n1 ZINC000769623933 577375820 /nfs/dbraw/zinc/37/58/20/577375820.db2.gz OFUUYTASOUUUIX-NSHDSACASA-N -1 0 345.380 2.740 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(F)c2F)n1 ZINC000726677704 577379826 /nfs/dbraw/zinc/37/98/26/577379826.db2.gz CSGXIRBBPJLUAY-JTQLQIEISA-N -1 0 336.319 2.763 20 30 EFEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000726731852 577382262 /nfs/dbraw/zinc/38/22/62/577382262.db2.gz OZYGVGVHXHCXRW-JTQLQIEISA-N -1 0 328.397 2.797 20 30 EFEDRM Cc1ccc(C)c2c1CCCC2N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769780291 577384592 /nfs/dbraw/zinc/38/45/92/577384592.db2.gz UOQPTLOGIKXUMD-UHFFFAOYSA-N -1 0 336.399 2.838 20 30 EFEDRM O=[N+]([O-])c1cc(C=NNc2ccnc(Br)c2)ccc1[O-] ZINC000769810337 577387155 /nfs/dbraw/zinc/38/71/55/577387155.db2.gz LTQKWCCTUFNYDR-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CCC[C@H]1c1ccc(F)cc1)[n-]c2=O ZINC000769820039 577387837 /nfs/dbraw/zinc/38/78/37/577387837.db2.gz UNTMUSCYRHEROU-LBPRGKRZSA-N -1 0 340.362 2.944 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1F ZINC000769889369 577391678 /nfs/dbraw/zinc/39/16/78/577391678.db2.gz JLWIXQKIGMNDFP-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C=CCOC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000727040010 577431265 /nfs/dbraw/zinc/43/12/65/577431265.db2.gz WBKXXAXQIFPNOT-UHFFFAOYSA-N -1 0 342.376 2.669 20 30 EFEDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079297 581172443 /nfs/dbraw/zinc/17/24/43/581172443.db2.gz SULKSHPKDGHEOD-CYBMUJFWSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771078344 581172454 /nfs/dbraw/zinc/17/24/54/581172454.db2.gz OTUSHBHPXOUZRS-AWEZNQCLSA-N -1 0 334.441 2.629 20 30 EFEDRM CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771078332 581172582 /nfs/dbraw/zinc/17/25/82/581172582.db2.gz PGAIVGJFNWQPSH-UHFFFAOYSA-N -1 0 348.468 2.567 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 ZINC000771081894 581173017 /nfs/dbraw/zinc/17/30/17/581173017.db2.gz UQAFYQZGTCNJTN-SOUVJXGZSA-N -1 0 338.473 2.733 20 30 EFEDRM COC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCCC1 ZINC000772448998 581324285 /nfs/dbraw/zinc/32/42/85/581324285.db2.gz ZNLPGQDUXMFUPE-LBPRGKRZSA-N -1 0 336.413 2.520 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OCCCCCC)cc1 ZINC000772717766 581359214 /nfs/dbraw/zinc/35/92/14/581359214.db2.gz HKKFMSGRRNVAPU-UHFFFAOYSA-N -1 0 339.457 2.820 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1oc2ccccc2c1CSC ZINC000772715078 581359276 /nfs/dbraw/zinc/35/92/76/581359276.db2.gz FCFDWIWWOSPVRK-UHFFFAOYSA-N -1 0 325.411 2.541 20 30 EFEDRM CCOC(=O)c1cnc(C(=O)Nc2cc(C#N)ccc2[O-])c(Cl)c1 ZINC000772719212 581359691 /nfs/dbraw/zinc/35/96/91/581359691.db2.gz XEUUDLYGIPXBQY-UHFFFAOYSA-N -1 0 345.742 2.741 20 30 EFEDRM O=C(C=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000772797756 581369602 /nfs/dbraw/zinc/36/96/02/581369602.db2.gz POPJOCQJHYBPFL-KXFIGUGUSA-N -1 0 325.280 2.778 20 30 EFEDRM C#C[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000772961564 581383774 /nfs/dbraw/zinc/38/37/74/581383774.db2.gz AAZDWYWZEDNGTP-LBPRGKRZSA-N -1 0 348.449 2.609 20 30 EFEDRM CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1 ZINC000774137018 581485034 /nfs/dbraw/zinc/48/50/34/581485034.db2.gz DTRDTESQVTZGID-HJWRWDBZSA-N -1 0 345.376 2.652 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2/CC(=O)Nc3ccccc3C2=O)c1 ZINC000774147030 581485534 /nfs/dbraw/zinc/48/55/34/581485534.db2.gz XXKOYMGVIXUTBK-JYRVWZFOSA-N -1 0 337.331 2.759 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1sc(-c2ccccc2C)nc1C ZINC000774253233 581488144 /nfs/dbraw/zinc/48/81/44/581488144.db2.gz ZLVZQNJLXJRDEE-UHFFFAOYSA-N -1 0 336.438 2.673 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ns1 ZINC000774257208 581488173 /nfs/dbraw/zinc/48/81/73/581488173.db2.gz GVIWCCBTZLTDFD-GFCCVEGCSA-N -1 0 333.800 2.744 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(CC)cc1)OCC ZINC000774550546 581493853 /nfs/dbraw/zinc/49/38/53/581493853.db2.gz HVZCZQTYPPFMML-MRXNPFEDSA-N -1 0 339.457 2.566 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000774620974 581495447 /nfs/dbraw/zinc/49/54/47/581495447.db2.gz OSALCIOVVMFLIU-UHFFFAOYSA-N -1 0 345.424 2.571 20 30 EFEDRM C[C@H](NC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000738994214 581506468 /nfs/dbraw/zinc/50/64/68/581506468.db2.gz IUPFGCVXNXUWOA-JTQLQIEISA-N -1 0 329.381 2.559 20 30 EFEDRM C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)[O-] ZINC000738503878 597049659 /nfs/dbraw/zinc/04/96/59/597049659.db2.gz WICOJZVODFLPSN-SNVBAGLBSA-N -1 0 337.376 2.747 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC000738503987 597049772 /nfs/dbraw/zinc/04/97/72/597049772.db2.gz WXVJTGDWACWKBE-GWCFXTLKSA-N -1 0 347.396 2.542 20 30 EFEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CSCC(=O)[O-])c1 ZINC000738467644 597091972 /nfs/dbraw/zinc/09/19/72/597091972.db2.gz OUBBQDGGUQAGCV-UHFFFAOYSA-N -1 0 329.377 2.612 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819091360 597122596 /nfs/dbraw/zinc/12/25/96/597122596.db2.gz YNMVUQZYPRTVFA-UHFFFAOYSA-N -1 0 343.314 2.999 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738434836 597158818 /nfs/dbraw/zinc/15/88/18/597158818.db2.gz PKQCOSKVZKWOLQ-UHFFFAOYSA-N -1 0 326.377 2.916 20 30 EFEDRM CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)[O-] ZINC000818293200 597199296 /nfs/dbraw/zinc/19/92/96/597199296.db2.gz CCDRHYCYBRFJBG-CQSZACIVSA-N -1 0 340.339 2.730 20 30 EFEDRM N#Cc1ccccc1COc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000819106444 597278972 /nfs/dbraw/zinc/27/89/72/597278972.db2.gz QRAZQWWJSCCCAJ-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM N#Cc1ccc(CNC(=O)CSCc2ccc(C(=O)[O-])cc2)cc1 ZINC000819100662 597284736 /nfs/dbraw/zinc/28/47/36/597284736.db2.gz YGPNRWFSOYXGQW-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM N#Cc1cccc(CNC(=O)CSCc2ccc(C(=O)[O-])cc2)c1 ZINC000819106210 597284787 /nfs/dbraw/zinc/28/47/87/597284787.db2.gz GEWCEIKGIVAPII-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000817791938 597298544 /nfs/dbraw/zinc/29/85/44/597298544.db2.gz UWTFLUQYJCCHSA-NVNXTCNLSA-N -1 0 333.409 2.917 20 30 EFEDRM N#CCc1ccc(OCc2cccc(NC(=O)NCC(=O)[O-])c2)cc1 ZINC000819090914 597491210 /nfs/dbraw/zinc/49/12/10/597491210.db2.gz LLZABFXBHKKCLG-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000819865912 597603759 /nfs/dbraw/zinc/60/37/59/597603759.db2.gz PUZVESIBWVVNNP-ZDUSSCGKSA-N -1 0 340.261 2.525 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000819822474 597605601 /nfs/dbraw/zinc/60/56/01/597605601.db2.gz OCGFBSJZCUPZBN-HZMBPMFUSA-N -1 0 340.166 2.679 20 30 EFEDRM CCOc1ccc(C2=CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC000820386943 597607741 /nfs/dbraw/zinc/60/77/41/597607741.db2.gz BZKOSPQDEFWLGC-IBGZPJMESA-N -1 0 342.395 2.706 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000819842356 597607937 /nfs/dbraw/zinc/60/79/37/597607937.db2.gz NVPRFICZLWRARV-FQEVSTJZSA-N -1 0 347.374 2.846 20 30 EFEDRM COc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc(OC)c1C(C)C ZINC000820770872 597611018 /nfs/dbraw/zinc/61/10/18/597611018.db2.gz QXLAVCFJRLWTDL-KRWDZBQOSA-N -1 0 334.372 2.770 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820161661 597614157 /nfs/dbraw/zinc/61/41/57/597614157.db2.gz QVEWDLSKXAVRRM-XIKOKIGWSA-N -1 0 346.383 2.685 20 30 EFEDRM Cc1oc(-c2cccs2)nc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821248037 597614817 /nfs/dbraw/zinc/61/48/17/597614817.db2.gz AAMRLLTYUYWCAY-HNNXBMFYSA-N -1 0 334.353 2.759 20 30 EFEDRM Cc1ccc(-c2nnc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052006 597624241 /nfs/dbraw/zinc/62/42/41/597624241.db2.gz GZTXPPAOQYHSHE-APPDUMDISA-N -1 0 343.339 2.654 20 30 EFEDRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820161663 597625033 /nfs/dbraw/zinc/62/50/33/597625033.db2.gz QXPXDWUSPLKILV-KPZWWZAWSA-N -1 0 331.368 2.929 20 30 EFEDRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602124 597628797 /nfs/dbraw/zinc/62/87/97/597628797.db2.gz GURFJCTVPLXEQS-CQSZACIVSA-N -1 0 328.290 2.668 20 30 EFEDRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820607467 597632217 /nfs/dbraw/zinc/63/22/17/597632217.db2.gz FMTPMUKDPSDLTC-CQSZACIVSA-N -1 0 328.290 2.668 20 30 EFEDRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC000821078911 597641871 /nfs/dbraw/zinc/64/18/71/597641871.db2.gz AZYSIUMLQHQTCV-LPHOPBHVSA-N -1 0 328.412 2.781 20 30 EFEDRM COc1cccc(C=C2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000820865359 597655954 /nfs/dbraw/zinc/65/59/54/597655954.db2.gz JLTCOLCTTQSATE-LJQANCHMSA-N -1 0 342.395 2.706 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000819874377 597658826 /nfs/dbraw/zinc/65/88/26/597658826.db2.gz KOJDBEVOKGBJHH-GFCCVEGCSA-N -1 0 339.351 2.997 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819874213 597658854 /nfs/dbraw/zinc/65/88/54/597658854.db2.gz JEOYMNMVFKTYFN-GFCCVEGCSA-N -1 0 339.351 2.997 20 30 EFEDRM COc1cccc(-c2nn(C(C)(C)C)cc2C=NNCCC(=O)[O-])c1 ZINC000820858756 597738851 /nfs/dbraw/zinc/73/88/51/597738851.db2.gz RZRXHTBWIRVDTQ-UHFFFAOYSA-N -1 0 344.415 2.712 20 30 EFEDRM O=C([O-])CCNN=Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000821524296 597743998 /nfs/dbraw/zinc/74/39/98/597743998.db2.gz BIZOTGYKLMGIMN-UHFFFAOYSA-N -1 0 345.786 2.991 20 30 EFEDRM CC(C)Oc1c(F)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1F ZINC000820033134 597777814 /nfs/dbraw/zinc/77/78/14/597777814.db2.gz XLAOKYRUGLSQCI-HNNXBMFYSA-N -1 0 326.299 2.695 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000820733202 597818165 /nfs/dbraw/zinc/81/81/65/597818165.db2.gz VRRSWGOWRKROBX-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000819846717 598221585 /nfs/dbraw/zinc/22/15/85/598221585.db2.gz GAYBZWSPAFYMMR-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000819857140 598222038 /nfs/dbraw/zinc/22/20/38/598222038.db2.gz SDGOSLLLUZPYPQ-SFHVURJKSA-N -1 0 340.383 2.706 20 30 EFEDRM Cc1cc(Br)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820953762 598222245 /nfs/dbraw/zinc/22/22/45/598222245.db2.gz BCRXBHRFOVSVCJ-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM CC1CCN(c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)CC1 ZINC000820238353 598222646 /nfs/dbraw/zinc/22/26/46/598222646.db2.gz NOVVNIZGSPIFRH-GOSISDBHSA-N -1 0 329.400 2.866 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000819866513 598222692 /nfs/dbraw/zinc/22/26/92/598222692.db2.gz XTQTVROQUMGFSE-MRXNPFEDSA-N -1 0 347.371 2.816 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Br)c1 ZINC000820115467 598223404 /nfs/dbraw/zinc/22/34/04/598223404.db2.gz WTLXYUZOYLVMCS-LKFCYVNXSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000819856133 598223910 /nfs/dbraw/zinc/22/39/10/598223910.db2.gz GUUTXOFGOXMAMA-ZDUSSCGKSA-N -1 0 330.262 2.571 20 30 EFEDRM COc1cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OC(C)C ZINC000820759072 598223999 /nfs/dbraw/zinc/22/39/99/598223999.db2.gz DVDJOVKVGHUXTG-XIKOKIGWSA-N -1 0 348.399 2.664 20 30 EFEDRM COc1cc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OC(C)C ZINC000820759069 598224034 /nfs/dbraw/zinc/22/40/34/598224034.db2.gz DVDJOVKVGHUXTG-KPZWWZAWSA-N -1 0 348.399 2.664 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000819857263 598224443 /nfs/dbraw/zinc/22/44/43/598224443.db2.gz UWWXYCXWEOHSGD-AWEZNQCLSA-N -1 0 348.409 2.632 20 30 EFEDRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820597558 598224490 /nfs/dbraw/zinc/22/44/90/598224490.db2.gz XIHLYFFSLHEVCH-CQSZACIVSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000819847503 598224719 /nfs/dbraw/zinc/22/47/19/598224719.db2.gz NGTZVLSHVKIXMD-INIZCTEOSA-N -1 0 337.326 2.508 20 30 EFEDRM COc1ccccc1C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC1 ZINC000820876303 598225172 /nfs/dbraw/zinc/22/51/72/598225172.db2.gz CHWWVVQQIOROPR-SFHVURJKSA-N -1 0 344.411 2.628 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000819835761 598225210 /nfs/dbraw/zinc/22/52/10/598225210.db2.gz XNEJDYZLMLGCBG-OAHLLOKOSA-N -1 0 342.317 2.759 20 30 EFEDRM Cc1ccc(-c2nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s2)c(C)c1 ZINC000821058441 598225459 /nfs/dbraw/zinc/22/54/59/598225459.db2.gz QGHLGIJSOILWSB-MRXNPFEDSA-N -1 0 344.396 2.765 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000819842544 598225577 /nfs/dbraw/zinc/22/55/77/598225577.db2.gz RHKHZILFRHHODR-AWEZNQCLSA-N -1 0 329.183 2.657 20 30 EFEDRM CCC[C@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820304847 598225939 /nfs/dbraw/zinc/22/59/39/598225939.db2.gz YXTDMZUOLKMHLK-MGPLVRAMSA-N -1 0 335.429 2.991 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000819820856 598225986 /nfs/dbraw/zinc/22/59/86/598225986.db2.gz ACCCRCNMBMYSNS-IFUGULHKSA-N -1 0 340.301 2.682 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000819855268 598226076 /nfs/dbraw/zinc/22/60/76/598226076.db2.gz AIAIBIQZVKSJLP-MRXNPFEDSA-N -1 0 345.380 2.665 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000820114815 598227058 /nfs/dbraw/zinc/22/70/58/598227058.db2.gz QETMIIWEQOROSP-DIFFPNOSSA-N -1 0 343.408 2.992 20 30 EFEDRM CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1Cl ZINC000819833515 598227369 /nfs/dbraw/zinc/22/73/69/598227369.db2.gz HLSJRXCEZVRBGY-INIZCTEOSA-N -1 0 340.782 2.877 20 30 EFEDRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820696854 598228161 /nfs/dbraw/zinc/22/81/61/598228161.db2.gz LYIDPQABWUBSCT-JMPLFQLZSA-N -1 0 338.791 2.537 20 30 EFEDRM CC1CCN(c2cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)CC1 ZINC000820238464 598228476 /nfs/dbraw/zinc/22/84/76/598228476.db2.gz PZPNMASSKOBTED-GOSISDBHSA-N -1 0 329.400 2.866 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000819811486 598228589 /nfs/dbraw/zinc/22/85/89/598228589.db2.gz PPGLTSKTXCNNEJ-GOSISDBHSA-N -1 0 336.432 2.579 20 30 EFEDRM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602305 598230282 /nfs/dbraw/zinc/23/02/82/598230282.db2.gz YHNZYDWWGDUMRQ-CQSZACIVSA-N -1 0 344.289 2.548 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000819856209 598230649 /nfs/dbraw/zinc/23/06/49/598230649.db2.gz HRVGSTCCJLHINB-ZDUSSCGKSA-N -1 0 341.245 2.790 20 30 EFEDRM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCCNC(=O)[O-] ZINC000736737620 599707538 /nfs/dbraw/zinc/70/75/38/599707538.db2.gz VCUUBZBZZKFQJU-CYVLTUHYSA-N -1 0 349.456 2.944 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000739146519 599717577 /nfs/dbraw/zinc/71/75/77/599717577.db2.gz GSKSIYAPTLYCFL-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM Cc1oc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc1C(=O)[O-] ZINC000738977449 599718873 /nfs/dbraw/zinc/71/88/73/599718873.db2.gz DSDDXBOVYUHQCW-UHFFFAOYSA-N -1 0 343.358 2.619 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)CCNC(=O)[O-])c2)c1 ZINC000739133165 599721470 /nfs/dbraw/zinc/72/14/70/599721470.db2.gz FPOBGXSSQHLVLY-UHFFFAOYSA-N -1 0 339.351 2.733 20 30 EFEDRM N#CCn1c(C(=O)NCCCCCCC(=O)[O-])cc2ccccc21 ZINC000739091845 599730685 /nfs/dbraw/zinc/73/06/85/599730685.db2.gz NRDKZBSDRAPICQ-UHFFFAOYSA-N -1 0 327.384 2.930 20 30 EFEDRM N#CCn1c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc2ccccc21 ZINC000738426068 599732564 /nfs/dbraw/zinc/73/25/64/599732564.db2.gz SGZIUQCPCGVTAN-UHFFFAOYSA-N -1 0 349.346 2.881 20 30 EFEDRM N#CCn1c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc2ccccc21 ZINC000739091741 599733694 /nfs/dbraw/zinc/73/36/94/599733694.db2.gz AJJBSWFYFDHQEB-UHFFFAOYSA-N -1 0 349.346 2.881 20 30 EFEDRM C=CCOCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736109274 599749163 /nfs/dbraw/zinc/74/91/63/599749163.db2.gz FIVOIFMPVHCCOC-ZDUSSCGKSA-N -1 0 332.183 2.780 20 30 EFEDRM COc1ccc([C@@H](NC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])cc1 ZINC000737960146 599758787 /nfs/dbraw/zinc/75/87/87/599758787.db2.gz VFPNZWNPIYQGEA-IBWPDUFMSA-N -1 0 336.347 2.522 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc([N+](=O)[O-])c1C ZINC000738922413 599794640 /nfs/dbraw/zinc/79/46/40/599794640.db2.gz HTMJOWCGWYUDIC-UHFFFAOYSA-N -1 0 345.359 2.637 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890417 599798350 /nfs/dbraw/zinc/79/83/50/599798350.db2.gz APHBDLJVDITYHT-SWLSCSKDSA-N -1 0 345.399 2.895 20 30 EFEDRM CC(C)[C@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736389879 599818004 /nfs/dbraw/zinc/81/80/04/599818004.db2.gz KHRJEDIPWKXDGU-INIZCTEOSA-N -1 0 343.335 2.996 20 30 EFEDRM N#Cc1cccc(OCc2ccoc2C(=O)NCCCCC(=O)[O-])c1 ZINC000739139973 599818130 /nfs/dbraw/zinc/81/81/30/599818130.db2.gz NMRJQEUIRYCAPB-UHFFFAOYSA-N -1 0 342.351 2.715 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000739122982 599836159 /nfs/dbraw/zinc/83/61/59/599836159.db2.gz JGBXYDYDXNLXOW-QGZVFWFLSA-N -1 0 335.363 2.864 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000729637840 599837761 /nfs/dbraw/zinc/83/77/61/599837761.db2.gz LTKONBOEMRPANC-UHFFFAOYSA-N -1 0 342.424 2.771 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000730995362 599838336 /nfs/dbraw/zinc/83/83/36/599838336.db2.gz GFQIMQAVUWXWJK-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000736118559 599840989 /nfs/dbraw/zinc/84/09/89/599840989.db2.gz VZICUJLOFNMGTI-CYBMUJFWSA-N -1 0 336.461 2.764 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1C(=O)[O-] ZINC000738744062 599850062 /nfs/dbraw/zinc/85/00/62/599850062.db2.gz HXRMKVDYJBCTOF-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CCCc1c(C(=O)NCc2ccc(C#N)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000737040173 599887601 /nfs/dbraw/zinc/88/76/01/599887601.db2.gz KFORKMHKVDFUFD-UHFFFAOYSA-N -1 0 343.358 2.915 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000739132217 599912413 /nfs/dbraw/zinc/91/24/13/599912413.db2.gz GXXVUPNVMZCFTB-CQSZACIVSA-N -1 0 332.406 2.654 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCSCC(=O)[O-])cc1 ZINC000736297629 599919751 /nfs/dbraw/zinc/91/97/51/599919751.db2.gz RCQYTXDLUZJQAJ-CQSZACIVSA-N -1 0 334.441 2.873 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000185142915 599925236 /nfs/dbraw/zinc/92/52/36/599925236.db2.gz PCBSIFKUXJKMEA-UHFFFAOYSA-N -1 0 347.392 2.791 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000728509231 599925593 /nfs/dbraw/zinc/92/55/93/599925593.db2.gz YFGHDYYZKFJWLV-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM Cc1ncc(CO)c(/C=N\[C@H](CCC(=O)[O-])c2ccccc2)c1O ZINC000738884774 599926223 /nfs/dbraw/zinc/92/62/23/599926223.db2.gz CLSOGBPZTVABKJ-HSGPEQJXSA-N -1 0 328.368 2.613 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737839758 599990974 /nfs/dbraw/zinc/99/09/74/599990974.db2.gz LYBWOKMGOKITFE-OAHLLOKOSA-N -1 0 348.305 2.501 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000739098501 599994278 /nfs/dbraw/zinc/99/42/78/599994278.db2.gz HIBRGCCAZFXCBR-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000737936068 600001548 /nfs/dbraw/zinc/00/15/48/600001548.db2.gz YSJSMBKKYYEOBV-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM C=CCn1c(-c2cccc(C)c2)nn(CN(CC)CC(=O)[O-])c1=S ZINC000736114199 600028260 /nfs/dbraw/zinc/02/82/60/600028260.db2.gz JMYZGRXKAOQPOD-UHFFFAOYSA-N -1 0 346.456 2.940 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000739131636 600046310 /nfs/dbraw/zinc/04/63/10/600046310.db2.gz CYLANOYVRGVREK-UHFFFAOYSA-N -1 0 338.388 2.891 20 30 EFEDRM C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000736605931 600060105 /nfs/dbraw/zinc/06/01/05/600060105.db2.gz VOISFXXAFQFPEO-NSHDSACASA-N -1 0 342.326 2.940 20 30 EFEDRM Cn1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000739039399 600066353 /nfs/dbraw/zinc/06/63/53/600066353.db2.gz RPHKKOAOHNEBRQ-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738325909 600070555 /nfs/dbraw/zinc/07/05/55/600070555.db2.gz GYZUWHYHWNZLTP-QGZVFWFLSA-N -1 0 337.379 2.655 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000736090703 600083616 /nfs/dbraw/zinc/08/36/16/600083616.db2.gz HJWQKZNTXDNILN-UHFFFAOYSA-N -1 0 343.404 2.970 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739147672 600093066 /nfs/dbraw/zinc/09/30/66/600093066.db2.gz YKSWJIICPXNXAG-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000736108722 600093719 /nfs/dbraw/zinc/09/37/19/600093719.db2.gz QIBKCYXMPKXORH-UHFFFAOYSA-N -1 0 349.330 2.766 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738501417 600097974 /nfs/dbraw/zinc/09/79/74/600097974.db2.gz SLUOVWYTJLOOGV-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CON=Cc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000737840395 600110693 /nfs/dbraw/zinc/11/06/93/600110693.db2.gz ZAFJICQHQVDXLT-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736708632 600113763 /nfs/dbraw/zinc/11/37/63/600113763.db2.gz VDXPFZOEZXJLEF-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739120723 600122471 /nfs/dbraw/zinc/12/24/71/600122471.db2.gz CTGPKUJDOREUEV-UHFFFAOYSA-N -1 0 328.303 2.838 20 30 EFEDRM CC[C@@](NCC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736917482 600131807 /nfs/dbraw/zinc/13/18/07/600131807.db2.gz MZZKEWOQOACNKQ-KRWDZBQOSA-N -1 0 343.408 2.538 20 30 EFEDRM CC[C@](NC(=O)c1ccccc1OCC#N)(C(=O)[O-])c1ccccc1 ZINC000736920101 600132111 /nfs/dbraw/zinc/13/21/11/600132111.db2.gz NEEZNDCHZYRIPX-LJQANCHMSA-N -1 0 338.363 2.709 20 30 EFEDRM CN(C(=O)[O-])c1ccc(Nc2ncnc3c2cnn3CCC#N)cc1 ZINC000737335139 600142424 /nfs/dbraw/zinc/14/24/24/600142424.db2.gz COHQSAPQKDFGNY-UHFFFAOYSA-N -1 0 337.343 2.598 20 30 EFEDRM C#CCOc1cccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000736088460 600148700 /nfs/dbraw/zinc/14/87/00/600148700.db2.gz VUQJLHUQZQSJJZ-UHFFFAOYSA-N -1 0 341.275 2.524 20 30 EFEDRM N#CCOc1ccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000739087774 600165748 /nfs/dbraw/zinc/16/57/48/600165748.db2.gz MJUPUEWYKNYZDQ-UHFFFAOYSA-N -1 0 328.280 2.774 20 30 EFEDRM Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)c(C(=O)[O-])[nH]1 ZINC000738431643 600169543 /nfs/dbraw/zinc/16/95/43/600169543.db2.gz GRKFINOZUSJOHM-UHFFFAOYSA-N -1 0 329.381 2.765 20 30 EFEDRM Cc1nc2ccccc2c(=O)n1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000738874246 600180480 /nfs/dbraw/zinc/18/04/80/600180480.db2.gz HEZJBBIQFNBOFA-UHFFFAOYSA-N -1 0 346.346 2.767 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000739091910 600189113 /nfs/dbraw/zinc/18/91/13/600189113.db2.gz OCDWKMLAQYOCSL-UHFFFAOYSA-N -1 0 325.280 2.611 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000736849789 600257820 /nfs/dbraw/zinc/25/78/20/600257820.db2.gz WBVMZVDGPKMXQM-MRXNPFEDSA-N -1 0 338.363 2.996 20 30 EFEDRM C=CCCCN(C)c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000736102575 600259446 /nfs/dbraw/zinc/25/94/46/600259446.db2.gz QIBCVYIDPHVMQO-UHFFFAOYSA-N -1 0 347.802 2.987 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000736098126 600351459 /nfs/dbraw/zinc/35/14/59/600351459.db2.gz SBQQIQHPWPOGLY-UHFFFAOYSA-N -1 0 348.399 2.535 20 30 EFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000736427279 600359768 /nfs/dbraw/zinc/35/97/68/600359768.db2.gz RRGOYYRBSNLXQC-WFASDCNBSA-N -1 0 334.372 2.551 20 30 EFEDRM N#Cc1cc(C#N)c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)nc1N ZINC000739093835 600378464 /nfs/dbraw/zinc/37/84/64/600378464.db2.gz SXGOFZYQQPOSBA-LBPRGKRZSA-N -1 0 344.783 2.979 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739099379 600390020 /nfs/dbraw/zinc/39/00/20/600390020.db2.gz WLYNPTAABGCTFU-CYBMUJFWSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1ccc(N2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)c(F)c1 ZINC000738432453 600399556 /nfs/dbraw/zinc/39/95/56/600399556.db2.gz MAONRAXGOYNZQM-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(F)nc1 ZINC000736115207 600404015 /nfs/dbraw/zinc/40/40/15/600404015.db2.gz YJUKGYDPJANSGQ-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000739078693 600405831 /nfs/dbraw/zinc/40/58/31/600405831.db2.gz KTBOVKSYOHORQD-UHFFFAOYSA-N -1 0 335.319 2.545 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736203871 600406644 /nfs/dbraw/zinc/40/66/44/600406644.db2.gz WFSFFIQQUXLPRK-MRVPVSSYSA-N -1 0 327.287 2.610 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736708612 600450204 /nfs/dbraw/zinc/45/02/04/600450204.db2.gz UYDHFAZGLKQWHE-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738501411 600492989 /nfs/dbraw/zinc/49/29/89/600492989.db2.gz SASWNOZYVNDWBW-UHFFFAOYSA-N -1 0 349.343 2.897 20 30 EFEDRM N#Cc1ccccc1OCc1cccc(C(=O)NCCCC(=O)[O-])c1 ZINC000738434983 600493885 /nfs/dbraw/zinc/49/38/85/600493885.db2.gz IJJGRUHZOLSHPK-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)cc1OC ZINC000737951580 600494908 /nfs/dbraw/zinc/49/49/08/600494908.db2.gz WUFZMSMMKJIZHU-BUESGFEBSA-N -1 0 345.351 2.750 20 30 EFEDRM Cc1nnc(NCc2ccc(OCCCC(=O)[O-])cc2)c(C#N)c1C ZINC000738932011 600504429 /nfs/dbraw/zinc/50/44/29/600504429.db2.gz OFZBKNXUGDLBKC-UHFFFAOYSA-N -1 0 340.383 2.821 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(OCC(=O)[O-])cc3)nc21 ZINC000738745934 600519598 /nfs/dbraw/zinc/51/95/98/600519598.db2.gz ABIDEJIYVNQQOM-AWEZNQCLSA-N -1 0 349.346 2.825 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000739140395 600541091 /nfs/dbraw/zinc/54/10/91/600541091.db2.gz SRYLKKOPGICEPO-AATRIKPKSA-N -1 0 337.291 2.817 20 30 EFEDRM C=CCSCCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736113811 600560285 /nfs/dbraw/zinc/56/02/85/600560285.db2.gz ARPTYUDDSBBBKF-UHFFFAOYSA-N -1 0 327.318 2.532 20 30 EFEDRM CCOc1cccc(/C=N\Cc2cccc(OCC(=O)[O-])c2)c1O ZINC000737211498 600567189 /nfs/dbraw/zinc/56/71/89/600567189.db2.gz VGQQKAHTPQALEX-ODLFYWEKSA-N -1 0 329.352 2.873 20 30 EFEDRM CCOc1ccc(O)c(/C=N\Cc2cccc(OCC(=O)[O-])c2)c1 ZINC000737203614 600567208 /nfs/dbraw/zinc/56/72/08/600567208.db2.gz NTLFGOQHWKNUGX-ODLFYWEKSA-N -1 0 329.352 2.873 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000739103452 600567936 /nfs/dbraw/zinc/56/79/36/600567936.db2.gz AYSYPXAFTFUZJX-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM CC(C)(NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736339526 600570660 /nfs/dbraw/zinc/57/06/60/600570660.db2.gz RMXLODVXESTPFV-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736708569 600590185 /nfs/dbraw/zinc/59/01/85/600590185.db2.gz UMAVZFZTPBWBDK-GUYCJALGSA-N -1 0 338.363 2.610 20 30 EFEDRM C[C@H](CSCCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000736613376 600597402 /nfs/dbraw/zinc/59/74/02/600597402.db2.gz OFDUWOMUOGRRCE-SECBINFHSA-N -1 0 326.805 2.994 20 30 EFEDRM Cc1nc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)nc2ccccc12 ZINC000738857788 600597947 /nfs/dbraw/zinc/59/79/47/600597947.db2.gz RGKHOLFGBQYZSG-SFHVURJKSA-N -1 0 332.363 2.725 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737576737 600598982 /nfs/dbraw/zinc/59/89/82/600598982.db2.gz GIZKJZDUFCUXBQ-INIZCTEOSA-N -1 0 339.351 2.652 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737576738 600599034 /nfs/dbraw/zinc/59/90/34/600599034.db2.gz GIZKJZDUFCUXBQ-MRXNPFEDSA-N -1 0 339.351 2.652 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])cc1 ZINC000739112253 600599746 /nfs/dbraw/zinc/59/97/46/600599746.db2.gz YMXQPPGJECUVIA-MSOLQXFVSA-N -1 0 338.363 2.964 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)cc2O)C(=O)[O-])cc1 ZINC000739115620 600604372 /nfs/dbraw/zinc/60/43/72/600604372.db2.gz UHWCTVRSIDGEKT-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(=O)c3ccccc3o2)C(=O)[O-])cc1 ZINC000739115496 600605179 /nfs/dbraw/zinc/60/51/79/600605179.db2.gz RMZCSSBSRNTNQE-QGZVFWFLSA-N -1 0 349.298 2.647 20 30 EFEDRM C[C@@H](CS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000736614432 600606091 /nfs/dbraw/zinc/60/60/91/600606091.db2.gz CNJXGGGSGFDOBQ-IUCAKERBSA-N -1 0 338.454 2.889 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccccc3)[nH]n2)C(=O)[O-])cc1 ZINC000739114598 600607168 /nfs/dbraw/zinc/60/71/68/600607168.db2.gz IUBGJZJUPXXTLF-QGZVFWFLSA-N -1 0 347.330 2.931 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])cc1 ZINC000739111696 600609997 /nfs/dbraw/zinc/60/99/97/600609997.db2.gz VYBDZOBHLVHIFJ-HJCTWCACSA-N -1 0 332.315 2.812 20 30 EFEDRM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736706762 600610446 /nfs/dbraw/zinc/61/04/46/600610446.db2.gz FTQGLCURBPNNFW-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@H](Oc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736706767 600610447 /nfs/dbraw/zinc/61/04/47/600610447.db2.gz FTQGLCURBPNNFW-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM CCc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1O ZINC000737268038 600612329 /nfs/dbraw/zinc/61/23/29/600612329.db2.gz YFPJALPUVQWQCA-INIZCTEOSA-N -1 0 325.320 2.809 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)C(=O)[O-])cc1 ZINC000739116088 600613363 /nfs/dbraw/zinc/61/33/63/600613363.db2.gz ZHBAHAGKNUXPSD-HNNXBMFYSA-N -1 0 337.291 2.524 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cn2ccc3ccccc32)C(=O)[O-])cc1 ZINC000739115845 600614193 /nfs/dbraw/zinc/61/41/93/600614193.db2.gz VNEBAUYPFXVSEO-SFHVURJKSA-N -1 0 334.331 2.882 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000739113993 600614304 /nfs/dbraw/zinc/61/43/04/600614304.db2.gz DUBOCEPKZZZNHO-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCOc3ccccc32)C(=O)[O-])cc1 ZINC000739110519 600616809 /nfs/dbraw/zinc/61/68/09/600616809.db2.gz QWLQDBIEBVBFNR-DOTOQJQBSA-N -1 0 337.331 2.793 20 30 EFEDRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736785204 600617639 /nfs/dbraw/zinc/61/76/39/600617639.db2.gz OAOLEKIJMAPOGA-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM CCN(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737079076 600617697 /nfs/dbraw/zinc/61/76/97/600617697.db2.gz HUJMUBYMXIODKL-SFHVURJKSA-N -1 0 338.363 2.754 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-c3ncon3)cc2)C(=O)[O-])cc1 ZINC000739116065 600617996 /nfs/dbraw/zinc/61/79/96/600617996.db2.gz YVPHDRHEAKXLCL-HNNXBMFYSA-N -1 0 349.302 2.591 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(-n3cccn3)c2)C(=O)[O-])cc1 ZINC000739115986 600618744 /nfs/dbraw/zinc/61/87/44/600618744.db2.gz WTFWJJZBOUIPJZ-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#CC1(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000739066449 600641735 /nfs/dbraw/zinc/64/17/35/600641735.db2.gz MMIVMIRDKLOTAW-INIZCTEOSA-N -1 0 336.391 2.893 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736115191 600645628 /nfs/dbraw/zinc/64/56/28/600645628.db2.gz XVUMRIWRYXENKF-UHFFFAOYSA-N -1 0 332.377 2.810 20 30 EFEDRM CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495020 600672544 /nfs/dbraw/zinc/67/25/44/600672544.db2.gz DMUIUXYBYCJYHM-KRWDZBQOSA-N -1 0 348.362 2.866 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000736233327 600680619 /nfs/dbraw/zinc/68/06/19/600680619.db2.gz XRBIWVJTBKHLPY-UHFFFAOYSA-N -1 0 337.379 2.971 20 30 EFEDRM N#Cc1nnc2ccccc2c1NCCOc1ccc(C(=O)[O-])cc1 ZINC000739144953 600708526 /nfs/dbraw/zinc/70/85/26/600708526.db2.gz DJZDPYHXKRSONV-UHFFFAOYSA-N -1 0 334.335 2.691 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000832919383 600708869 /nfs/dbraw/zinc/70/88/69/600708869.db2.gz HIAZWRZOZRJLQA-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ncc(CO)c(/C=N/[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1O ZINC000833008764 600763641 /nfs/dbraw/zinc/76/36/41/600763641.db2.gz UKXTXGCRJRXZLR-SOQIOHJVSA-N -1 0 348.786 2.876 20 30 EFEDRM Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000832955276 600789635 /nfs/dbraw/zinc/78/96/35/600789635.db2.gz WMNKHUBBBUSIKA-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM C=CCOc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000825699373 600808269 /nfs/dbraw/zinc/80/82/69/600808269.db2.gz YFYLWQRDBLRMES-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN(C(=O)[O-])CC1 ZINC000738228955 600810468 /nfs/dbraw/zinc/81/04/68/600810468.db2.gz GYIIPKUPVVUECQ-UHFFFAOYSA-N -1 0 328.347 2.530 20 30 EFEDRM N#Cc1cc(N2CCC(CC(=O)[O-])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000833069891 600811155 /nfs/dbraw/zinc/81/11/55/600811155.db2.gz ZNQMPYHEKIDYAT-UHFFFAOYSA-N -1 0 340.339 2.706 20 30 EFEDRM N#Cc1cc(NCc2ccc(C(=O)[O-])o2)nc2ccc([N+](=O)[O-])cc12 ZINC000833069576 600815436 /nfs/dbraw/zinc/81/54/36/600815436.db2.gz GXYNBHVHKMQLQH-UHFFFAOYSA-N -1 0 338.279 2.918 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000730995828 600816138 /nfs/dbraw/zinc/81/61/38/600816138.db2.gz KNIBJUYMTJHJRF-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000730995991 600816239 /nfs/dbraw/zinc/81/62/39/600816239.db2.gz GKBDAKSJLJKZOK-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN(CC(=O)[O-])Cc3ccccc3)o2)cc1 ZINC000833071313 600821412 /nfs/dbraw/zinc/82/14/12/600821412.db2.gz ZYSWUZXNSVBTGE-UHFFFAOYSA-N -1 0 348.362 2.695 20 30 EFEDRM N#Cc1cccc(OCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000739133168 600855872 /nfs/dbraw/zinc/85/58/72/600855872.db2.gz FRPOBLKBHAHTDQ-CQSZACIVSA-N -1 0 336.347 2.542 20 30 EFEDRM Cc1noc(C(F)F)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833019435 600869542 /nfs/dbraw/zinc/86/95/42/600869542.db2.gz LOTXVNGYWILQBK-LLVKDONJSA-N -1 0 336.250 2.775 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C#N)c2)c1OC ZINC000737855844 600875401 /nfs/dbraw/zinc/87/54/01/600875401.db2.gz TZTVEKPXSWYWJX-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM N#Cc1ccc(NCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739120997 600910828 /nfs/dbraw/zinc/91/08/28/600910828.db2.gz IUPXWAREPUXWGB-CQSZACIVSA-N -1 0 335.363 2.575 20 30 EFEDRM CCn1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1C1CC1 ZINC000737296325 600936620 /nfs/dbraw/zinc/93/66/20/600936620.db2.gz WVSIFRUCBBTUBI-CYBMUJFWSA-N -1 0 328.397 2.965 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnnn2C2CCCC2)C(=O)[O-])cc1 ZINC000739119321 600937798 /nfs/dbraw/zinc/93/77/98/600937798.db2.gz ZDIVOGJYIHPMBE-ZDUSSCGKSA-N -1 0 329.385 2.578 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC000737983293 600983220 /nfs/dbraw/zinc/98/32/20/600983220.db2.gz TXWXURXOYCBIKZ-WAPJZHGLSA-N -1 0 337.331 2.926 20 30 EFEDRM N#Cc1ccc(-c2nnc(CSc3ncccc3C(=O)[O-])o2)cc1 ZINC000739102340 600984556 /nfs/dbraw/zinc/98/45/56/600984556.db2.gz VJARZMBHLYCHRW-UHFFFAOYSA-N -1 0 338.348 2.994 20 30 EFEDRM N#Cc1cccc(-c2nnc(COc3ccc(C(=O)[O-])cc3C=O)o2)c1 ZINC000739131640 600985775 /nfs/dbraw/zinc/98/57/75/600985775.db2.gz DGPWVYJIDWKBEI-UHFFFAOYSA-N -1 0 349.302 2.698 20 30 EFEDRM N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000833068751 600990553 /nfs/dbraw/zinc/99/05/53/600990553.db2.gz CDPHWTNBMZHEJD-CYBMUJFWSA-N -1 0 347.440 2.570 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN[C@@H](C(=O)[O-])c3ccccc3)o2)c1 ZINC000833074349 600996930 /nfs/dbraw/zinc/99/69/30/600996930.db2.gz VYPJTXHLFSEHQJ-MRXNPFEDSA-N -1 0 334.335 2.524 20 30 EFEDRM CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC#N)CC(=O)[O-] ZINC000827134144 601002254 /nfs/dbraw/zinc/00/22/54/601002254.db2.gz GDDBZGRXTNUGHQ-UHFFFAOYSA-N -1 0 331.416 2.782 20 30 EFEDRM C#CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825605718 601038307 /nfs/dbraw/zinc/03/83/07/601038307.db2.gz OTWQWDCGZPSQFP-UHFFFAOYSA-N -1 0 344.289 2.861 20 30 EFEDRM N#CCSc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324919399 601067303 /nfs/dbraw/zinc/06/73/03/601067303.db2.gz RMTOEVYLGFJSLI-HNNXBMFYSA-N -1 0 340.404 2.900 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000826122785 601068773 /nfs/dbraw/zinc/06/87/73/601068773.db2.gz PBRCMIBYTCDWQI-UHFFFAOYSA-N -1 0 341.371 2.803 20 30 EFEDRM COc1ccc(CNc2c(C#N)cnc3ccccc32)cc1C(=O)[O-] ZINC000738008148 601092512 /nfs/dbraw/zinc/09/25/12/601092512.db2.gz GPLXOURWIKNHMP-UHFFFAOYSA-N -1 0 333.347 2.847 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000819706023 601098446 /nfs/dbraw/zinc/09/84/46/601098446.db2.gz IWRGEAQVCAEYNQ-UHFFFAOYSA-N -1 0 334.347 2.603 20 30 EFEDRM CN(Cc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1)C(=O)[O-] ZINC000830830653 601129632 /nfs/dbraw/zinc/12/96/32/601129632.db2.gz LDGDCQTVOHWBEB-UHFFFAOYSA-N -1 0 330.388 2.954 20 30 EFEDRM N#Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)s1 ZINC000749011278 601201348 /nfs/dbraw/zinc/20/13/48/601201348.db2.gz SBRQJMXXMQMBCN-UXBLZVDNSA-N -1 0 338.435 2.686 20 30 EFEDRM N#Cc1cc(F)ccc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833069523 601201985 /nfs/dbraw/zinc/20/19/85/601201985.db2.gz CKWARJBZUPJTON-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM Cc1oc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC000832858314 601223389 /nfs/dbraw/zinc/22/33/89/601223389.db2.gz BSUICSCOTSJICU-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833039219 601235848 /nfs/dbraw/zinc/23/58/48/601235848.db2.gz ZTBBFDSRNDTVHU-YNEHKIRRSA-N -1 0 325.368 2.641 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830253866 601236189 /nfs/dbraw/zinc/23/61/89/601236189.db2.gz OSIRVBPVNGPREM-OFQRWUPVSA-N -1 0 342.395 2.787 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832970393 601236578 /nfs/dbraw/zinc/23/65/78/601236578.db2.gz JAYMZHYPFGXKDG-UMVBOHGHSA-N -1 0 328.368 2.533 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000830080932 601246370 /nfs/dbraw/zinc/24/63/70/601246370.db2.gz XRCDIHLBTHAIBX-UHFFFAOYSA-N -1 0 339.351 2.739 20 30 EFEDRM COC(=O)c1cc(NCc2cc(C#N)ccc2F)ccc1C(=O)[O-] ZINC000831323384 601251158 /nfs/dbraw/zinc/25/11/58/601251158.db2.gz ZFPPZISOECTOAH-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM Cc1c(N[C@H]2CCN(c3sccc3C#N)C2=O)cccc1C(=O)[O-] ZINC000832856859 601264503 /nfs/dbraw/zinc/26/45/03/601264503.db2.gz WFIKXHXUTDHYML-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)cn2C)cc1 ZINC000832777681 601264609 /nfs/dbraw/zinc/26/46/09/601264609.db2.gz XJIJEGFVWLAILP-AWEZNQCLSA-N -1 0 343.408 2.564 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833040614 601269671 /nfs/dbraw/zinc/26/96/71/601269671.db2.gz NJLSDBCKMWHZAS-UHFFFAOYSA-N -1 0 332.385 2.601 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(C#N)cn3C)ccc2n1C ZINC000832852536 601270198 /nfs/dbraw/zinc/27/01/98/601270198.db2.gz YPZCADUKGATMJN-UHFFFAOYSA-N -1 0 337.335 2.614 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833069559 601270292 /nfs/dbraw/zinc/27/02/92/601270292.db2.gz FQMXUJZYEHUXDQ-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C#N)s1 ZINC000831976320 601276473 /nfs/dbraw/zinc/27/64/73/601276473.db2.gz MSPFFXVSDQMLBV-CLTKARDFSA-N -1 0 329.333 2.945 20 30 EFEDRM CCn1c(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)nc2ccccc21 ZINC000830412068 601298307 /nfs/dbraw/zinc/29/83/07/601298307.db2.gz LRXPYUOQRLAMNG-GOSISDBHSA-N -1 0 334.379 2.843 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(C(N)=O)c(Cl)c2)C(=O)[O-])c1 ZINC000833075285 601299964 /nfs/dbraw/zinc/29/99/64/601299964.db2.gz JTUVPFLKLZXVOD-AWEZNQCLSA-N -1 0 329.743 2.548 20 30 EFEDRM COCCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000831779564 601302040 /nfs/dbraw/zinc/30/20/40/601302040.db2.gz PLPYBLDISXOCQX-KRWDZBQOSA-N -1 0 344.342 2.960 20 30 EFEDRM COCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831785084 601302205 /nfs/dbraw/zinc/30/22/05/601302205.db2.gz ZORWCVWGRKGRKF-QGZVFWFLSA-N -1 0 326.352 2.821 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(N3CCOC3=O)cc2)C(=O)[O-])c1 ZINC000833076700 601302419 /nfs/dbraw/zinc/30/24/19/601302419.db2.gz YAAWSNGVZNDROP-INIZCTEOSA-N -1 0 337.335 2.753 20 30 EFEDRM Cc1nc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)nc2ccccc12 ZINC000832997960 601304270 /nfs/dbraw/zinc/30/42/70/601304270.db2.gz KMRHZIPKKWQHHT-GOSISDBHSA-N -1 0 332.363 2.725 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831083719 601305425 /nfs/dbraw/zinc/30/54/25/601305425.db2.gz BINQZFHWKCMXLG-MRXNPFEDSA-N -1 0 339.351 2.652 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826723178 601317966 /nfs/dbraw/zinc/31/79/66/601317966.db2.gz QBGQZLAMSUYTHS-MRXNPFEDSA-N -1 0 341.367 2.637 20 30 EFEDRM CN(Cc1nc2ccccc2n1C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830879752 601323831 /nfs/dbraw/zinc/32/38/31/601323831.db2.gz YXKDNQREEIAKOU-GOSISDBHSA-N -1 0 334.379 2.703 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)[nH]1 ZINC000749809911 601335720 /nfs/dbraw/zinc/33/57/20/601335720.db2.gz MKBNAJOBVZEHLN-UHFFFAOYSA-N -1 0 347.787 2.796 20 30 EFEDRM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749814359 601336838 /nfs/dbraw/zinc/33/68/38/601336838.db2.gz AWMXPBTUIISCCZ-UHFFFAOYSA-N -1 0 346.412 2.821 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(N3CC=CC3)cc2)C(=O)[O-])cc1 ZINC000833073317 601340612 /nfs/dbraw/zinc/34/06/12/601340612.db2.gz YZYNFFCHBUJSDN-SFHVURJKSA-N -1 0 348.358 2.917 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831841807 601343340 /nfs/dbraw/zinc/34/33/40/601343340.db2.gz PTVLNDFIMBAWOR-MRXNPFEDSA-N -1 0 338.319 2.521 20 30 EFEDRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000832963166 601343484 /nfs/dbraw/zinc/34/34/84/601343484.db2.gz MHZGDJWPLZBCOT-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C(=O)[O-])c1 ZINC000833075929 601343854 /nfs/dbraw/zinc/34/38/54/601343854.db2.gz OMXVIFLNNQHECH-IWYPGAINSA-N -1 0 341.363 2.623 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832951773 601344434 /nfs/dbraw/zinc/34/44/34/601344434.db2.gz WOLAMDWXXSNIGG-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000832919090 601344479 /nfs/dbraw/zinc/34/44/79/601344479.db2.gz WTTZBBCSOMLKAH-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(=O)[nH]c3ccccc32)C(=O)[O-])c1 ZINC000833077334 601344668 /nfs/dbraw/zinc/34/46/68/601344668.db2.gz PNXWVRCXYNYLCU-KRWDZBQOSA-N -1 0 348.314 2.795 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000832853715 601345020 /nfs/dbraw/zinc/34/50/20/601345020.db2.gz MEWZIGYIHKNHBG-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccccc3oc2=O)C(=O)[O-])c1 ZINC000833077154 601345336 /nfs/dbraw/zinc/34/53/36/601345336.db2.gz LUJXUNKJBDSDCO-INIZCTEOSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000833077640 601345563 /nfs/dbraw/zinc/34/55/63/601345563.db2.gz YAWBXBSPTYBLKY-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)c(N)c2)C(=O)[O-])c1 ZINC000833077361 601345579 /nfs/dbraw/zinc/34/55/79/601345579.db2.gz QFKMPNIXTGNGPG-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890703 601346296 /nfs/dbraw/zinc/34/62/96/601346296.db2.gz XLLUHLMIANPUFV-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM COc1cc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831982715 601347488 /nfs/dbraw/zinc/34/74/88/601347488.db2.gz CMACCWCBQMMJGH-GOSISDBHSA-N -1 0 339.347 2.787 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(Cl)c2N)C(=O)[O-])c1 ZINC000833077512 601348144 /nfs/dbraw/zinc/34/81/44/601348144.db2.gz VDRITUZGSMIEEM-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM Cc1cc(C)n([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880526 601349361 /nfs/dbraw/zinc/34/93/61/601349361.db2.gz SHQHJEVLQHHXJB-GUYCJALGSA-N -1 0 341.367 2.692 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833059988 601350582 /nfs/dbraw/zinc/35/05/82/601350582.db2.gz JNKVIXOKMSJASU-OAHLLOKOSA-N -1 0 341.367 2.572 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833059987 601350641 /nfs/dbraw/zinc/35/06/41/601350641.db2.gz JNKVIXOKMSJASU-HNNXBMFYSA-N -1 0 341.367 2.572 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828251918 601353526 /nfs/dbraw/zinc/35/35/26/601353526.db2.gz NSWLDDWMLUDTGN-ISTRZQFTSA-N -1 0 331.368 2.822 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000833064333 601427799 /nfs/dbraw/zinc/42/77/99/601427799.db2.gz HSWBBJHXQQEMFE-WBVHZDCISA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000833064153 601427815 /nfs/dbraw/zinc/42/78/15/601427815.db2.gz FULXVYICCQLIQE-DOTOQJQBSA-N -1 0 335.363 2.692 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)c1cnn(C)c1 ZINC000825702423 601441693 /nfs/dbraw/zinc/44/16/93/601441693.db2.gz NHYGZKGXVLNBGR-LLVKDONJSA-N -1 0 344.367 2.565 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000830379367 601460036 /nfs/dbraw/zinc/46/00/36/601460036.db2.gz SWJYENOUKODXMM-LLVKDONJSA-N -1 0 343.335 2.923 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)COc1cccc(C#N)c1 ZINC000830388016 601462301 /nfs/dbraw/zinc/46/23/01/601462301.db2.gz DMKZNZPMZXNNLG-UHFFFAOYSA-N -1 0 329.308 2.534 20 30 EFEDRM Cc1cc(C(=O)NCc2cccc(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832864105 601532971 /nfs/dbraw/zinc/53/29/71/601532971.db2.gz JTECTNRTSKBDQO-UHFFFAOYSA-N -1 0 338.363 2.569 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cc(C#N)cs3)nc2n1 ZINC000832868036 601563130 /nfs/dbraw/zinc/56/31/30/601563130.db2.gz VEVXBFXJLNYFPZ-UHFFFAOYSA-N -1 0 344.377 2.883 20 30 EFEDRM Cc1cc(N2C[C@H](C)[C@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000832889357 601564643 /nfs/dbraw/zinc/56/46/43/601564643.db2.gz QOXGTNYPMIWCSG-GXTWGEPZSA-N -1 0 334.379 2.825 20 30 EFEDRM O=C([O-])c1ccc(-c2nnn(CC#Cc3ccc(Cl)cc3)n2)cc1 ZINC000833309072 601577316 /nfs/dbraw/zinc/57/73/16/601577316.db2.gz XTJOEJMDZCYNHM-UHFFFAOYSA-N -1 0 338.754 2.743 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000833024472 601603119 /nfs/dbraw/zinc/60/31/19/601603119.db2.gz DTNQGAIUMAZFSB-UHFFFAOYSA-N -1 0 341.367 2.625 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000833070848 601608274 /nfs/dbraw/zinc/60/82/74/601608274.db2.gz BEJDGXPCUQFEMT-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000827038456 601621175 /nfs/dbraw/zinc/62/11/75/601621175.db2.gz MSJSTQKMPNMWSD-ZDUSSCGKSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)C(=O)N1CCC(=NOCc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000826652114 601631355 /nfs/dbraw/zinc/63/13/55/601631355.db2.gz VHPJBGRXQCLOQK-UHFFFAOYSA-N -1 0 336.363 2.675 20 30 EFEDRM CCCCC[C@@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000829327122 601645848 /nfs/dbraw/zinc/64/58/48/601645848.db2.gz VIPFGJHAXMSWPG-CQSZACIVSA-N -1 0 327.384 2.928 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000830814445 601659228 /nfs/dbraw/zinc/65/92/28/601659228.db2.gz FZAXDJBKYQJFTK-UHFFFAOYSA-N -1 0 330.290 2.807 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(F)c1 ZINC000833068529 601670033 /nfs/dbraw/zinc/67/00/33/601670033.db2.gz ANPOIDZXAUXELG-GDLCADMTSA-N -1 0 334.322 2.694 20 30 EFEDRM CC[C@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000828957826 601676315 /nfs/dbraw/zinc/67/63/15/601676315.db2.gz BYWSZSOKMKGJBL-GOSISDBHSA-N -1 0 344.317 2.956 20 30 EFEDRM Cc1cc(C(=O)N(CCC#N)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832860337 601679546 /nfs/dbraw/zinc/67/95/46/601679546.db2.gz NUORGNHPEMDYAL-UHFFFAOYSA-N -1 0 332.400 2.779 20 30 EFEDRM Cc1cc(C(=O)N[C@](C)(C#N)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832863885 601679556 /nfs/dbraw/zinc/67/95/56/601679556.db2.gz QADJXEGIZUYQRC-SFHVURJKSA-N -1 0 332.400 2.825 20 30 EFEDRM Cc1cc(C(=O)N[C@@](C)(C#N)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000832863881 601679627 /nfs/dbraw/zinc/67/96/27/601679627.db2.gz QADJXEGIZUYQRC-GOSISDBHSA-N -1 0 332.400 2.825 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC000833065850 601680097 /nfs/dbraw/zinc/68/00/97/601680097.db2.gz IZGNGZLRXZNZOZ-UHFFFAOYSA-N -1 0 335.212 2.814 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000826881134 601685813 /nfs/dbraw/zinc/68/58/13/601685813.db2.gz FYMRJJBMFHMIKT-UHFFFAOYSA-N -1 0 331.416 2.837 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000833072477 601747204 /nfs/dbraw/zinc/74/72/04/601747204.db2.gz NAAYSTBERZVOBM-UHFFFAOYSA-N -1 0 329.381 2.603 20 30 EFEDRM CC[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000818308148 601750005 /nfs/dbraw/zinc/75/00/05/601750005.db2.gz CMRNHCKSOLNDQO-QGZVFWFLSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825967402 601754304 /nfs/dbraw/zinc/75/43/04/601754304.db2.gz WAPPQVPBVMOUBX-QMMMGPOBSA-N -1 0 345.277 2.607 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C/c3c[nH]c(C(=O)[O-])c3)S2)c1 ZINC000832970564 601791179 /nfs/dbraw/zinc/79/11/79/601791179.db2.gz HVMLFOPZRNUKRX-QPEQYQDCSA-N -1 0 327.365 2.913 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c[nH]1 ZINC000833092669 601793473 /nfs/dbraw/zinc/79/34/73/601793473.db2.gz JIJVPNUVZDABJN-PLNGDYQASA-N -1 0 326.308 2.566 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c[nH]1 ZINC000833092787 601793554 /nfs/dbraw/zinc/79/35/54/601793554.db2.gz NDMZIYUDTHCKHA-BHQIHCQQSA-N -1 0 326.308 2.566 20 30 EFEDRM O=C([O-])c1cc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)c[nH]1 ZINC000814848324 601797514 /nfs/dbraw/zinc/79/75/14/601797514.db2.gz IDXMSWSPTDYVNC-UHFFFAOYSA-N -1 0 331.719 2.862 20 30 EFEDRM CN=c1scc(-c2cc(C)[nH]c2C)n1N=Cc1c[nH]c(C(=O)[O-])c1 ZINC000830968761 601829504 /nfs/dbraw/zinc/82/95/04/601829504.db2.gz QMGMKKMVTPHCSG-UHFFFAOYSA-N -1 0 343.412 2.601 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000825660074 601839186 /nfs/dbraw/zinc/83/91/86/601839186.db2.gz QWHCKOZENDKFLF-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825671684 601859722 /nfs/dbraw/zinc/85/97/22/601859722.db2.gz ZYTLVDJMCDWGRE-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000827879391 601915365 /nfs/dbraw/zinc/91/53/65/601915365.db2.gz OLXYKIAVXGRIGO-JQFCIGGWSA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c(F)c1 ZINC000833073682 601948760 /nfs/dbraw/zinc/94/87/60/601948760.db2.gz UZSPTVLCEDDIAY-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H](O)c1ccc(C#N)cc1 ZINC000831977930 601959748 /nfs/dbraw/zinc/95/97/48/601959748.db2.gz VUJKXIIRYVJLHW-GEZBDVBVSA-N -1 0 339.347 2.777 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827896691 602001925 /nfs/dbraw/zinc/00/19/25/602001925.db2.gz XDQVKWABXGRMOH-SNVBAGLBSA-N -1 0 331.349 2.829 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825676085 602005935 /nfs/dbraw/zinc/00/59/35/602005935.db2.gz SSDODUYFKBQPLZ-OTYXRUKQSA-N -1 0 345.317 2.669 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000821324629 602032608 /nfs/dbraw/zinc/03/26/08/602032608.db2.gz KSIUTJPTOMXTDS-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM C[C@H](Oc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794858526 602065731 /nfs/dbraw/zinc/06/57/31/602065731.db2.gz MRTIWTQRRJISRX-NSHDSACASA-N -1 0 329.312 2.893 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2cnc3ccccc3n2)cc1)C(=O)[O-] ZINC000794901881 602074141 /nfs/dbraw/zinc/07/41/41/602074141.db2.gz KHVVLKCKIQFHFI-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000825682207 602118949 /nfs/dbraw/zinc/11/89/49/602118949.db2.gz TWVFHVMLVQMEBH-ZDUSSCGKSA-N -1 0 330.384 2.550 20 30 EFEDRM CC(C)(C)c1nnc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000826528202 602146000 /nfs/dbraw/zinc/14/60/00/602146000.db2.gz OQZYYWDMWRZZDP-CYBMUJFWSA-N -1 0 330.413 2.623 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000827241359 602182078 /nfs/dbraw/zinc/18/20/78/602182078.db2.gz WGBUHSQLNWVTKZ-HQJQHLMTSA-N -1 0 343.166 2.752 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)CC(=O)[O-] ZINC000830265788 602182593 /nfs/dbraw/zinc/18/25/93/602182593.db2.gz QKZMDRPYUCKOKH-BXUZGUMPSA-N -1 0 330.384 2.570 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC(=O)[O-] ZINC000830265789 602182624 /nfs/dbraw/zinc/18/26/24/602182624.db2.gz QKZMDRPYUCKOKH-FZMZJTMJSA-N -1 0 330.384 2.570 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825966886 602223397 /nfs/dbraw/zinc/22/33/97/602223397.db2.gz OTPRGQZCTAIEGZ-NSHDSACASA-N -1 0 327.340 2.584 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000833071873 602232571 /nfs/dbraw/zinc/23/25/71/602232571.db2.gz MAZICVWMGNQKBP-GDBMZVCRSA-N -1 0 328.393 2.819 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000818046283 602249405 /nfs/dbraw/zinc/24/94/05/602249405.db2.gz QGYLCPWOZBRTDO-LLVKDONJSA-N -1 0 326.377 2.912 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cn1 ZINC000825636529 602262418 /nfs/dbraw/zinc/26/24/18/602262418.db2.gz MLQWTHLFKURAEV-UHFFFAOYSA-N -1 0 346.342 2.932 20 30 EFEDRM C#CCCCCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000825605437 602263436 /nfs/dbraw/zinc/26/34/36/602263436.db2.gz DBFITHRUFHYABE-UHFFFAOYSA-N -1 0 339.395 2.737 20 30 EFEDRM CC(C)[C@H](Sc1cccc(C#N)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826722261 602289628 /nfs/dbraw/zinc/28/96/28/602289628.db2.gz FYWDUDAPYOENNT-INIZCTEOSA-N -1 0 346.452 2.998 20 30 EFEDRM CN=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1ccc(C)cn1 ZINC000830968966 602299842 /nfs/dbraw/zinc/29/98/42/602299842.db2.gz YMCJNSNFNPFVJW-UHFFFAOYSA-N -1 0 342.380 2.624 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000832910657 602319552 /nfs/dbraw/zinc/31/95/52/602319552.db2.gz YNUGAPWAIVEBEB-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM CN(CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737396225 602327123 /nfs/dbraw/zinc/32/71/23/602327123.db2.gz CFVFIUUMTQDZBI-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM N#C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739074685 602727932 /nfs/dbraw/zinc/72/79/32/602727932.db2.gz LCYQVIPPZHHFRR-LLVKDONJSA-N -1 0 330.171 2.722 20 30 EFEDRM CN(CCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000737417915 602727980 /nfs/dbraw/zinc/72/79/80/602727980.db2.gz MNJBNPQZTIGPLX-LBPRGKRZSA-N -1 0 343.305 2.776 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)OCCNC(=O)[O-])c2)cc1 ZINC000739121026 602961517 /nfs/dbraw/zinc/96/15/17/602961517.db2.gz JOXDOBZLRYPIHP-UHFFFAOYSA-N -1 0 325.324 2.726 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000738435136 603125029 /nfs/dbraw/zinc/12/50/29/603125029.db2.gz UZHQYCBXFHIFIO-UHFFFAOYSA-N -1 0 336.300 2.555 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)[O-])cc1F ZINC000831156693 603231004 /nfs/dbraw/zinc/23/10/04/603231004.db2.gz HCWGYONZZANYTL-UHFFFAOYSA-N -1 0 329.287 2.696 20 30 EFEDRM CN(CC(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000828125743 604049775 /nfs/dbraw/zinc/04/97/75/604049775.db2.gz QOVVLXIKNOMZOQ-UHFFFAOYSA-N -1 0 326.308 2.866 20 30 EFEDRM CC(C)OC[C@H](C(=O)[O-])N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000827017249 604396879 /nfs/dbraw/zinc/39/68/79/604396879.db2.gz WPTMXGZGQKCLBA-OAHLLOKOSA-N -1 0 343.345 2.867 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832849398 604399520 /nfs/dbraw/zinc/39/95/20/604399520.db2.gz GDYPZMQNUQNNNN-JXMROGBWSA-N -1 0 342.376 2.765 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)cn1 ZINC000833368957 604486444 /nfs/dbraw/zinc/48/64/44/604486444.db2.gz XULVWVSKHYIXQO-UHFFFAOYSA-N -1 0 346.346 2.508 20 30 EFEDRM C#CCN(CC#CC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825608924 604535675 /nfs/dbraw/zinc/53/56/75/604535675.db2.gz NZKJWHDNEJFTPS-MRXNPFEDSA-N -1 0 326.396 2.507 20 30 EFEDRM C=CCNC(=O)c1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833376639 604537449 /nfs/dbraw/zinc/53/74/49/604537449.db2.gz LSQKRRZRQHDCOS-UHFFFAOYSA-N -1 0 335.363 2.784 20 30 EFEDRM CCNC(=O)c1ccc(C)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833657871 604538818 /nfs/dbraw/zinc/53/88/18/604538818.db2.gz SBWCFEOZRSWXGK-UHFFFAOYSA-N -1 0 337.379 2.927 20 30 EFEDRM Cc1cc([C@@H](C)OC(=O)COc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872919 604544960 /nfs/dbraw/zinc/54/49/60/604544960.db2.gz XNWDOMUBBRYFEY-LLVKDONJSA-N -1 0 329.308 2.841 20 30 EFEDRM CCCn1c2ccccc2n(Cc2cccc(C(=O)[O-])c2C#N)c1=O ZINC000833652265 604546869 /nfs/dbraw/zinc/54/68/69/604546869.db2.gz HVXGXPUCAXNLEG-UHFFFAOYSA-N -1 0 335.363 2.831 20 30 EFEDRM C=CCNc1nnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833375861 604550070 /nfs/dbraw/zinc/55/00/70/604550070.db2.gz MKACQOPDACIVNK-UHFFFAOYSA-N -1 0 332.410 2.998 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)OCC ZINC000833367816 604552256 /nfs/dbraw/zinc/55/22/56/604552256.db2.gz WGDLGHJZRFPTQE-HIFRSBDPSA-N -1 0 327.327 2.578 20 30 EFEDRM N#Cc1c(Cn2c(=O)scc2C(F)(F)F)cccc1C(=O)[O-] ZINC000833760881 604553018 /nfs/dbraw/zinc/55/30/18/604553018.db2.gz HOXZQEJYJUGZKG-UHFFFAOYSA-N -1 0 328.271 2.547 20 30 EFEDRM C#CCOCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000833364356 604559032 /nfs/dbraw/zinc/55/90/32/604559032.db2.gz PJZOBVYCXDQPEI-MRXNPFEDSA-N -1 0 331.412 2.656 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833367830 604561482 /nfs/dbraw/zinc/56/14/82/604561482.db2.gz WIJFXQBQFLRFJE-ZFWWWQNUSA-N -1 0 325.792 2.953 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833538002 604580760 /nfs/dbraw/zinc/58/07/60/604580760.db2.gz ACDVPXAACQXWJY-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@@H](Oc1ccccc1F)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833542470 604580801 /nfs/dbraw/zinc/58/08/01/604580801.db2.gz JAGYMODIZDRXGH-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM CCCCn1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000829446454 604608045 /nfs/dbraw/zinc/60/80/45/604608045.db2.gz AKDDJIBEZUDYJB-INIZCTEOSA-N -1 0 341.367 2.846 20 30 EFEDRM CCCCn1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000829446455 604608234 /nfs/dbraw/zinc/60/82/34/604608234.db2.gz AKDDJIBEZUDYJB-MRXNPFEDSA-N -1 0 341.367 2.846 20 30 EFEDRM Cc1nc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)s1 ZINC000832998779 604610498 /nfs/dbraw/zinc/61/04/98/604610498.db2.gz NGDABHTXNAYFPW-HNNXBMFYSA-N -1 0 330.365 2.543 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N(CCC(=O)[O-])Cc1ccccc1 ZINC000692525897 604631977 /nfs/dbraw/zinc/63/19/77/604631977.db2.gz YNQKLVDKGZAWSW-UHFFFAOYSA-N -1 0 325.324 2.948 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccccc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814693767 604633128 /nfs/dbraw/zinc/63/31/28/604633128.db2.gz GUAIQKXTCVRNFY-LBPRGKRZSA-N -1 0 326.418 2.622 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833360563 604633384 /nfs/dbraw/zinc/63/33/84/604633384.db2.gz LVMGDNZYYGSRKD-CYBMUJFWSA-N -1 0 329.381 2.656 20 30 EFEDRM CC(=NNC(=S)NCC(F)(F)F)[C@H](C)CCCCC(=O)[O-] ZINC000814821666 604637895 /nfs/dbraw/zinc/63/78/95/604637895.db2.gz FKLFHSMGLFZTHX-MRVPVSSYSA-N -1 0 327.372 2.670 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1C#N ZINC000827054629 604639238 /nfs/dbraw/zinc/63/92/38/604639238.db2.gz MFSVUCASBTUOAY-RISCZKNCSA-N -1 0 331.372 2.530 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1C#N ZINC000827054394 604639314 /nfs/dbraw/zinc/63/93/14/604639314.db2.gz IVDCKIWDMWSBOT-UHFFFAOYSA-N -1 0 343.339 2.958 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C ZINC000829027072 604648740 /nfs/dbraw/zinc/64/87/40/604648740.db2.gz MPVXOMSIWXGOMA-APWZRJJASA-N -1 0 345.443 2.579 20 30 EFEDRM C#CC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833360841 604655940 /nfs/dbraw/zinc/65/59/40/604655940.db2.gz PKWNQIHDJJRFRW-HOTGVXAUSA-N -1 0 326.396 2.647 20 30 EFEDRM C=CCNc1nnc(SCC(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000833376125 604669917 /nfs/dbraw/zinc/66/99/17/604669917.db2.gz UNDQWUZGCQKRRL-UHFFFAOYSA-N -1 0 335.410 2.809 20 30 EFEDRM C[C@@H](Oc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1)C(=O)[O-] ZINC000833538155 604685612 /nfs/dbraw/zinc/68/56/12/604685612.db2.gz QYHRFVGSOHZMNF-COVOJHCQSA-N -1 0 339.347 2.852 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000825665360 604691911 /nfs/dbraw/zinc/69/19/11/604691911.db2.gz YYRKUBJTNHIBPS-CVEARBPZSA-N -1 0 332.400 2.579 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833538230 604695205 /nfs/dbraw/zinc/69/52/05/604695205.db2.gz RVQJRVSYATYOCG-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833542092 604697125 /nfs/dbraw/zinc/69/71/25/604697125.db2.gz ZBPKGOMGGXFRRA-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833760187 604723753 /nfs/dbraw/zinc/72/37/53/604723753.db2.gz JUCBSSNYEMZAFP-UHFFFAOYSA-N -1 0 337.379 2.655 20 30 EFEDRM CC(=NN[C@H](C)c1ccc(C(C)C)cc1)c1cn(CC(=O)[O-])nn1 ZINC000825804660 604785320 /nfs/dbraw/zinc/78/53/20/604785320.db2.gz SBHYGEZWAWMQKK-GFCCVEGCSA-N -1 0 329.404 2.561 20 30 EFEDRM COC(=O)c1cc(NCC#Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000831315498 604815389 /nfs/dbraw/zinc/81/53/89/604815389.db2.gz CYZYQJGRCJPAKD-UHFFFAOYSA-N -1 0 327.311 2.774 20 30 EFEDRM COC(=O)c1ccc(NCC#Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000831431108 604815695 /nfs/dbraw/zinc/81/56/95/604815695.db2.gz VTKOHQFOEVFMIT-UHFFFAOYSA-N -1 0 327.311 2.774 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H](O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000833073091 604835521 /nfs/dbraw/zinc/83/55/21/604835521.db2.gz VLBXRGZEDIMSTI-CABCVRRESA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H](O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000833076011 604835771 /nfs/dbraw/zinc/83/57/71/604835771.db2.gz GBUDLZYRIMZBLU-CABCVRRESA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000833071839 604848237 /nfs/dbraw/zinc/84/82/37/604848237.db2.gz LPXBGSDHVFFUTL-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM C=CCn1c(C)nn(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC000833379717 604862870 /nfs/dbraw/zinc/86/28/70/604862870.db2.gz KYKZXHALHFBRQQ-CYBMUJFWSA-N -1 0 338.477 2.689 20 30 EFEDRM C#CCOc1cccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825632319 604883223 /nfs/dbraw/zinc/88/32/23/604883223.db2.gz XNRVHIQLTFNTSM-UHFFFAOYSA-N -1 0 328.295 2.893 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000833419087 604883252 /nfs/dbraw/zinc/88/32/52/604883252.db2.gz YQEDLWQVSOPLHA-NSHDSACASA-N -1 0 336.338 2.799 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000833413062 604897203 /nfs/dbraw/zinc/89/72/03/604897203.db2.gz BJZGMYZEOXQIRC-AWEZNQCLSA-N -1 0 346.452 3.000 20 30 EFEDRM C[C@]1(NC(=O)c2cc3ccccc3n2CC#N)CCCC[C@@H]1C(=O)[O-] ZINC000833567770 604959686 /nfs/dbraw/zinc/95/96/86/604959686.db2.gz QEWOPPQJKJPWKK-KUHUBIRLSA-N -1 0 339.395 2.928 20 30 EFEDRM COc1ccc(C#N)cc1CSCc1noc(CCCC(=O)[O-])n1 ZINC000832152711 604973072 /nfs/dbraw/zinc/97/30/72/604973072.db2.gz KUOHUGQLHJZRMP-UHFFFAOYSA-N -1 0 347.396 2.791 20 30 EFEDRM C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000833363033 605009324 /nfs/dbraw/zinc/00/93/24/605009324.db2.gz XDLWMKFBMIPXHE-CQSZACIVSA-N -1 0 338.201 2.885 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833368042 605036865 /nfs/dbraw/zinc/03/68/65/605036865.db2.gz DOOYKTJUXSFBLA-ZDUSSCGKSA-N -1 0 340.379 2.899 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)Nc1ccc(F)cc1 ZINC000833405656 605037844 /nfs/dbraw/zinc/03/78/44/605037844.db2.gz GJSVRQUCXMFYBJ-JTQLQIEISA-N -1 0 334.376 2.593 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1cncc(Br)c1 ZINC000833406084 605040605 /nfs/dbraw/zinc/04/06/05/605040605.db2.gz LHIRRZCWSYZLPR-VIFPVBQESA-N -1 0 337.177 2.737 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833537391 605053704 /nfs/dbraw/zinc/05/37/04/605053704.db2.gz JVHHVEFBZGJMGI-CYBMUJFWSA-N -1 0 339.347 2.696 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000833547544 605056577 /nfs/dbraw/zinc/05/65/77/605056577.db2.gz UVKGLYSYTLZONP-YVEFUNNKSA-N -1 0 326.352 2.984 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833378161 605077290 /nfs/dbraw/zinc/07/72/90/605077290.db2.gz AAEIXNCAVPYJDQ-INIZCTEOSA-N -1 0 338.319 2.501 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833378481 605077521 /nfs/dbraw/zinc/07/75/21/605077521.db2.gz FRJVNZRAJHSZBZ-MRXNPFEDSA-N -1 0 338.319 2.501 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833372881 605084154 /nfs/dbraw/zinc/08/41/54/605084154.db2.gz AEVLHBMBPAYWNX-SNVBAGLBSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833373514 605084599 /nfs/dbraw/zinc/08/45/99/605084599.db2.gz RCGXYEJZFDBEQZ-GFCCVEGCSA-N -1 0 333.388 2.600 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833373258 605084624 /nfs/dbraw/zinc/08/46/24/605084624.db2.gz JABHLSQUEOEGQH-ZDUSSCGKSA-N -1 0 346.427 2.848 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833378844 605087991 /nfs/dbraw/zinc/08/79/91/605087991.db2.gz PBOOLOMVYDYQMA-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000833378578 605088006 /nfs/dbraw/zinc/08/80/06/605088006.db2.gz JNFYUOOXFDTODZ-ZDUSSCGKSA-N -1 0 338.363 2.865 20 30 EFEDRM COc1cc(OC)c(C=NNc2ccccc2C(=O)[O-])c(OC)c1 ZINC000812442132 605100937 /nfs/dbraw/zinc/10/09/37/605100937.db2.gz QVUUUTQQTHBJBG-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ncccc2C(F)(F)F)C(C(=O)[O-])=C1C ZINC000833377519 605117139 /nfs/dbraw/zinc/11/71/39/605117139.db2.gz ZVIUNRVBNJGZDQ-LBPRGKRZSA-N -1 0 341.289 2.711 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000833379634 605129644 /nfs/dbraw/zinc/12/96/44/605129644.db2.gz JDGHMMIKMVPKKG-DGCLKSJQSA-N -1 0 334.368 2.842 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833760397 605135410 /nfs/dbraw/zinc/13/54/10/605135410.db2.gz PXUDTPKZNMIOBL-UHFFFAOYSA-N -1 0 342.330 2.867 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)[O-])cc1 ZINC000833377409 605145519 /nfs/dbraw/zinc/14/55/19/605145519.db2.gz VOJYIBBMHACLMO-SFHVURJKSA-N -1 0 338.363 2.903 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)O2 ZINC000833746681 605147605 /nfs/dbraw/zinc/14/76/05/605147605.db2.gz GHNNPNQXJYDADT-CHHVJCJISA-N -1 0 326.304 2.780 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833375211 605184934 /nfs/dbraw/zinc/18/49/34/605184934.db2.gz JPZGTTIRDLOZEG-UHFFFAOYSA-N -1 0 334.397 2.518 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833367339 605187003 /nfs/dbraw/zinc/18/70/03/605187003.db2.gz UTWCOPMDIRQFJH-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C#CCCN1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000833362457 605192223 /nfs/dbraw/zinc/19/22/23/605192223.db2.gz SJVWHWZMZSWGLF-HNNXBMFYSA-N -1 0 341.238 2.760 20 30 EFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000833484049 605230699 /nfs/dbraw/zinc/23/06/99/605230699.db2.gz LVJPNIKXQZVBLM-OAHLLOKOSA-N -1 0 330.384 2.967 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833373787 605249208 /nfs/dbraw/zinc/24/92/08/605249208.db2.gz CUXJZMMEPUCGOE-GFCCVEGCSA-N -1 0 348.424 2.956 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])nc2)c(OC)c1 ZINC000833379920 605252837 /nfs/dbraw/zinc/25/28/37/605252837.db2.gz QEKUGWOSPBYTAA-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000833450913 605259908 /nfs/dbraw/zinc/25/99/08/605259908.db2.gz CRLSCEJOSVUYMW-UHFFFAOYSA-N -1 0 344.411 2.819 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000135287592 605297985 /nfs/dbraw/zinc/29/79/85/605297985.db2.gz HVSQRWPJEUSESY-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)[O-] ZINC000833386923 605322861 /nfs/dbraw/zinc/32/28/61/605322861.db2.gz CDVKKAAFGQHSSA-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CC(=NN=c1[nH]c2ccccc2n1C)c1ccccc1OCC(=O)[O-] ZINC000833387078 605326272 /nfs/dbraw/zinc/32/62/72/605326272.db2.gz MZCHTDFZSSROSC-UHFFFAOYSA-N -1 0 338.367 2.873 20 30 EFEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380957 605334518 /nfs/dbraw/zinc/33/45/18/605334518.db2.gz VGWZNDRRUOVERS-SNVBAGLBSA-N -1 0 328.756 2.570 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833367069 605396215 /nfs/dbraw/zinc/39/62/15/605396215.db2.gz ORPSFUKTHYEHIB-UHFFFAOYSA-N -1 0 344.411 2.533 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000833368996 605398915 /nfs/dbraw/zinc/39/89/15/605398915.db2.gz ZUIZEHQCSIYRQY-UHFFFAOYSA-N -1 0 326.374 2.581 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000833432665 605575306 /nfs/dbraw/zinc/57/53/06/605575306.db2.gz PYMXOLIVFUNEIF-KRWDZBQOSA-N -1 0 333.340 2.552 20 30 EFEDRM CC1(C#N)CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833551131 605630708 /nfs/dbraw/zinc/63/07/08/605630708.db2.gz GWRDCADDNDCDEX-UHFFFAOYSA-N -1 0 330.388 2.654 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833537885 605801858 /nfs/dbraw/zinc/80/18/58/605801858.db2.gz PMLIUSORYIVZQA-NSHDSACASA-N -1 0 343.310 2.697 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc(NCc2c[nH]c(C(=O)[O-])c2)n1 ZINC000833761359 605868039 /nfs/dbraw/zinc/86/80/39/605868039.db2.gz WWBZJYWPVWGTPS-UHFFFAOYSA-N -1 0 325.303 2.521 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833373937 605921999 /nfs/dbraw/zinc/92/19/99/605921999.db2.gz JZQMJCWANLUTCS-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)s2)n1 ZINC000820198440 606180074 /nfs/dbraw/zinc/18/00/74/606180074.db2.gz VVGBSCJVVPMNNT-QMMMGPOBSA-N -1 0 344.425 2.998 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)s1 ZINC000826461695 608878232 /nfs/dbraw/zinc/87/82/32/608878232.db2.gz DIMJQFQXZCRUBD-DUXPYHPUSA-N -1 0 344.327 2.662 20 30 EFEDRM CC[C@@H]1C[C@H](CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184741 609516831 /nfs/dbraw/zinc/51/68/31/609516831.db2.gz YXAKFQOQANEISM-VXGBXAGGSA-N -1 0 347.423 2.656 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C(C)C)no2)n1 ZINC000733832960 1265446182 /nfs/dbraw/zinc/44/61/82/1265446182.db2.gz SDQVHLLMPOOHEZ-JTQLQIEISA-N -1 0 333.369 2.596 20 30 EFEDRM COc1cccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000850208850 1250351338 /nfs/dbraw/zinc/35/13/38/1250351338.db2.gz FHPWGXVVOKMENA-ZDUSSCGKSA-N -1 0 344.392 2.802 20 30 EFEDRM COc1cccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000850208849 1250352167 /nfs/dbraw/zinc/35/21/67/1250352167.db2.gz FHPWGXVVOKMENA-CYBMUJFWSA-N -1 0 344.392 2.802 20 30 EFEDRM C[C@H]1Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000850758173 1250596233 /nfs/dbraw/zinc/59/62/33/1250596233.db2.gz ZNBCFXKILBSEEM-LRDDRELGSA-N -1 0 326.396 2.781 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850758153 1250597079 /nfs/dbraw/zinc/59/70/79/1250597079.db2.gz ZBRROWBGJIXNMH-IBGZPJMESA-N -1 0 347.418 2.926 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OC(C)C ZINC000850762577 1250601446 /nfs/dbraw/zinc/60/14/46/1250601446.db2.gz ZFRHDZMKKPTKKY-OAHLLOKOSA-N -1 0 330.384 2.523 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850767901 1250604373 /nfs/dbraw/zinc/60/43/73/1250604373.db2.gz JPRTWPXXNDFJKQ-QGZVFWFLSA-N -1 0 325.412 2.668 20 30 EFEDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000850827470 1250637713 /nfs/dbraw/zinc/63/77/13/1250637713.db2.gz UBLKQOSORPNMMY-AWEZNQCLSA-N -1 0 346.811 2.935 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(CF)cc2)CCCCC1 ZINC000850947445 1250705590 /nfs/dbraw/zinc/70/55/90/1250705590.db2.gz HXRBEOBEFCLLSV-UHFFFAOYSA-N -1 0 338.404 2.690 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000850977551 1250724578 /nfs/dbraw/zinc/72/45/78/1250724578.db2.gz YNSMRJPIAIDUIG-CQSZACIVSA-N -1 0 344.802 2.585 20 30 EFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(Cl)cc1 ZINC000851015660 1250747743 /nfs/dbraw/zinc/74/77/43/1250747743.db2.gz GQDCYMHQMKMIJP-AWEZNQCLSA-N -1 0 342.848 2.829 20 30 EFEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192485 1250850764 /nfs/dbraw/zinc/85/07/64/1250850764.db2.gz JUDYSAMCEHLMJR-GFCCVEGCSA-N -1 0 340.420 2.716 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000851603036 1251123567 /nfs/dbraw/zinc/12/35/67/1251123567.db2.gz HJUZUQGHBMMCJY-UHFFFAOYSA-N -1 0 336.438 2.822 20 30 EFEDRM N#CC(=C([O-])[C@H]1Cc2ccccc2C(=O)O1)c1nc(C2CC2)cs1 ZINC000842938455 1257068139 /nfs/dbraw/zinc/06/81/39/1257068139.db2.gz JOHKAJIUWOKCOX-DZGCQCFKSA-N -1 0 338.388 2.978 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000130719186 1257396199 /nfs/dbraw/zinc/39/61/99/1257396199.db2.gz NESFQHLNWBJGDO-LBPRGKRZSA-N -1 0 331.372 2.796 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272781689 1258011148 /nfs/dbraw/zinc/01/11/48/1258011148.db2.gz GCKJEPMVRQSKLB-CYBMUJFWSA-N -1 0 336.382 2.575 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000186184840 1258078985 /nfs/dbraw/zinc/07/89/85/1258078985.db2.gz VYKPYCCPWXWQRZ-UHFFFAOYSA-N -1 0 333.331 2.704 20 30 EFEDRM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000796862307 1260362173 /nfs/dbraw/zinc/36/21/73/1260362173.db2.gz IFTUUHDOKCLMIA-NEPJUHHUSA-N -1 0 338.404 2.719 20 30 EFEDRM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)o1 ZINC000074827785 1262589095 /nfs/dbraw/zinc/58/90/95/1262589095.db2.gz NFMHAKMUHDKHTA-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)s1 ZINC000729889861 1264101788 /nfs/dbraw/zinc/10/17/88/1264101788.db2.gz WCGCQQRZOXQLDH-LLVKDONJSA-N -1 0 341.392 2.990 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)cs1 ZINC000730149968 1264215705 /nfs/dbraw/zinc/21/57/05/1264215705.db2.gz NKHLNYDLAGZJKH-SREVYHEPSA-N -1 0 325.349 2.923 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)cs1 ZINC000730149969 1264216948 /nfs/dbraw/zinc/21/69/48/1264216948.db2.gz NKHLNYDLAGZJKH-VOTSOKGWSA-N -1 0 325.349 2.923 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C\c1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000730729485 1264428459 /nfs/dbraw/zinc/42/84/59/1264428459.db2.gz IYPORQZTTWQHLW-YVMONPNESA-N -1 0 336.294 2.681 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(CN=Nc2cnccn2)cc1 ZINC000730947689 1264490324 /nfs/dbraw/zinc/49/03/24/1264490324.db2.gz DEDCYUZTMYIZAS-UHFFFAOYSA-N -1 0 338.323 2.793 20 30 EFEDRM O=C([O-])COc1cccc(C=NNC(=S)Nc2ccccc2F)c1 ZINC000733200792 1265109685 /nfs/dbraw/zinc/10/96/85/1265109685.db2.gz LKPWYLCRSGAYTQ-UHFFFAOYSA-N -1 0 347.371 2.610 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733201495 1265110252 /nfs/dbraw/zinc/11/02/52/1265110252.db2.gz LDRAAFFNOQGUBJ-IUODEOHRSA-N -1 0 349.456 2.527 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2cccc(OCC(=O)[O-])c2)o1 ZINC000733203723 1265110998 /nfs/dbraw/zinc/11/09/98/1265110998.db2.gz XHUTTWPELADNSH-UHFFFAOYSA-N -1 0 328.328 2.579 20 30 EFEDRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000733701769 1265365727 /nfs/dbraw/zinc/36/57/27/1265365727.db2.gz QRBOZTZXZUDFQG-UHFFFAOYSA-N -1 0 339.416 2.556 20 30 EFEDRM CCC(CC)n1nccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000132633632 1266798230 /nfs/dbraw/zinc/79/82/30/1266798230.db2.gz HCDSZJSZGZVRPN-INIZCTEOSA-N -1 0 338.411 2.883 20 30 EFEDRM COc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000734082567 1266865823 /nfs/dbraw/zinc/86/58/23/1266865823.db2.gz FAYVIWRHCAVXDX-JTQLQIEISA-N -1 0 328.328 2.724 20 30 EFEDRM Cc1ccc(S(=O)(=O)CC(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000734296406 1266938944 /nfs/dbraw/zinc/93/89/44/1266938944.db2.gz RAAQOHITVBZJNK-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000734415750 1266976170 /nfs/dbraw/zinc/97/61/70/1266976170.db2.gz HBKUVMJVVOGDRH-UHFFFAOYSA-N -1 0 347.440 2.894 20 30 EFEDRM Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1Oc1ccncc1 ZINC000734546928 1267014877 /nfs/dbraw/zinc/01/48/77/1267014877.db2.gz GSKCOSGBJQKFBK-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM CC(C)(C)n1cc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)nn1 ZINC000843267793 1267254579 /nfs/dbraw/zinc/25/45/79/1267254579.db2.gz GIZNISQJNKFBEL-QIENPNARSA-N -1 0 325.368 2.871 20 30 EFEDRM CC(C)(C)n1cc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)nn1 ZINC000843267797 1267255398 /nfs/dbraw/zinc/25/53/98/1267255398.db2.gz GIZNISQJNKFBEL-SHQCLWGWSA-N -1 0 325.368 2.871 20 30 EFEDRM C=CCOC(=O)[C@@H](N)CCCCNc1ccc2oc(=S)[n-]c2c1 ZINC001171069903 1278318596 /nfs/dbraw/zinc/31/85/96/1278318596.db2.gz RPDLTYUIBSSHRZ-LBPRGKRZSA-N -1 0 335.429 2.755 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC000073838343 1267534491 /nfs/dbraw/zinc/53/44/91/1267534491.db2.gz YLPGYYLXYLUKIQ-UHFFFAOYSA-N -1 0 340.445 2.672 20 30 EFEDRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@H](C)COC)c2ccccc21 ZINC000073838903 1267536911 /nfs/dbraw/zinc/53/69/11/1267536911.db2.gz HYYNATGHZLVAIS-GFCCVEGCSA-N -1 0 338.429 2.525 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000073839482 1267538027 /nfs/dbraw/zinc/53/80/27/1267538027.db2.gz KUCOHYHSBJVXFA-NXEZZACHSA-N -1 0 331.459 2.542 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073839192 1267538194 /nfs/dbraw/zinc/53/81/94/1267538194.db2.gz MUNNROGMRJNLPL-AEJSXWLSSA-N -1 0 331.356 2.676 20 30 EFEDRM Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1Cl ZINC000791762131 1278339099 /nfs/dbraw/zinc/33/90/99/1278339099.db2.gz IBDHDUKZPNXJIA-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)N(CCCC)CCCC)CCC1 ZINC000791792393 1278351536 /nfs/dbraw/zinc/35/15/36/1278351536.db2.gz BEGCAUQFXURLNO-UHFFFAOYSA-N -1 0 330.494 2.996 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc3occc3s2)c1 ZINC000737330032 1268196114 /nfs/dbraw/zinc/19/61/14/1268196114.db2.gz LJULGYZTSZSRAN-UHFFFAOYSA-N -1 0 346.389 2.626 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1Cc1ccccc1F ZINC000133547970 1268585389 /nfs/dbraw/zinc/58/53/89/1268585389.db2.gz KVTCFZRBXVHZEC-HNNXBMFYSA-N -1 0 349.365 2.897 20 30 EFEDRM CC(C)Cc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000791879666 1278431584 /nfs/dbraw/zinc/43/15/84/1278431584.db2.gz FOOTWNFYVPGBLB-UHFFFAOYSA-N -1 0 334.441 2.639 20 30 EFEDRM CSCCCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000740320824 1268907182 /nfs/dbraw/zinc/90/71/82/1268907182.db2.gz NKVSUPAKMYPKPE-LLVKDONJSA-N -1 0 326.443 2.704 20 30 EFEDRM CSCCCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000740320825 1268907343 /nfs/dbraw/zinc/90/73/43/1268907343.db2.gz NKVSUPAKMYPKPE-NSHDSACASA-N -1 0 326.443 2.704 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000741657178 1269637341 /nfs/dbraw/zinc/63/73/41/1269637341.db2.gz LCRZSGRDXNUCMJ-UHFFFAOYSA-N -1 0 347.367 2.669 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cncc(F)c2)ccc1OCC(=O)[O-] ZINC000737444863 1269680041 /nfs/dbraw/zinc/68/00/41/1269680041.db2.gz UMVDNFOIKYBKCZ-DUXPYHPUSA-N -1 0 331.299 2.589 20 30 EFEDRM C=C1CCN(c2nc(CN(C)C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000737526860 1271022695 /nfs/dbraw/zinc/02/26/95/1271022695.db2.gz MMDQYTBMJCTOAX-UHFFFAOYSA-N -1 0 346.456 2.916 20 30 EFEDRM CC#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000744494712 1271066731 /nfs/dbraw/zinc/06/67/31/1271066731.db2.gz QKQNHTNAIZDQII-UHFFFAOYSA-N -1 0 347.367 2.807 20 30 EFEDRM CC#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000745040161 1271281773 /nfs/dbraw/zinc/28/17/73/1271281773.db2.gz QDXKHAFZUGTOAJ-UHFFFAOYSA-N -1 0 343.404 2.976 20 30 EFEDRM N=C(c1nonc1N)N(O)C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC001143625915 1278623389 /nfs/dbraw/zinc/62/33/89/1278623389.db2.gz ZPQAHEPBGZQCAG-CYBMUJFWSA-N -1 0 343.387 2.559 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@H]2CC[C@H](C)O2)n1 ZINC000745714888 1271576467 /nfs/dbraw/zinc/57/64/67/1271576467.db2.gz QGTGVOIGGBKEQM-YNEHKIRRSA-N -1 0 336.413 2.519 20 30 EFEDRM N#Cc1c(N)cc(=N)n(-c2ccc(Cl)c([O-])c2)c1Br ZINC001212588374 1272799433 /nfs/dbraw/zinc/79/94/33/1272799433.db2.gz MXOKEKCPURJFTI-UHFFFAOYSA-N -1 0 339.580 2.532 20 30 EFEDRM C=C(C)Cn1c(SCC(=O)[N-]OCCC)nnc1-c1ccco1 ZINC000844085183 1278742380 /nfs/dbraw/zinc/74/23/80/1278742380.db2.gz FHDNWZLLRAOLCT-UHFFFAOYSA-N -1 0 336.417 2.664 20 30 EFEDRM C=CC[C@H](Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)C(=O)OC ZINC001169844904 1273192803 /nfs/dbraw/zinc/19/28/03/1273192803.db2.gz PFKLTIWSAPTLMA-LBPRGKRZSA-N -1 0 336.775 2.978 20 30 EFEDRM COC(=O)n1ncc(C#N)c1Nc1c(Cl)nnc(Cl)c1Cl ZINC001169964624 1273283170 /nfs/dbraw/zinc/28/31/70/1273283170.db2.gz FRFRLGSGQJHBCO-UHFFFAOYSA-N -1 0 347.549 2.863 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cncc(F)c1 ZINC000792561135 1278900755 /nfs/dbraw/zinc/90/07/55/1278900755.db2.gz CGBPPRJSPVWNPX-ZDUSSCGKSA-N -1 0 346.424 2.703 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@H]1C ZINC000792562288 1278901315 /nfs/dbraw/zinc/90/13/15/1278901315.db2.gz KCPCIKLVBIOVNI-HUUCEWRRSA-N -1 0 348.509 2.899 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCCC1 ZINC000792562941 1278901839 /nfs/dbraw/zinc/90/18/39/1278901839.db2.gz LTRNCFSEIHBELW-CQSZACIVSA-N -1 0 334.482 2.511 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCC1 ZINC000792562940 1278901952 /nfs/dbraw/zinc/90/19/52/1278901952.db2.gz LTRNCFSEIHBELW-AWEZNQCLSA-N -1 0 334.482 2.511 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC000792563803 1278905842 /nfs/dbraw/zinc/90/58/42/1278905842.db2.gz SIWPBZFOZHSALD-ZDUSSCGKSA-N -1 0 345.465 2.509 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Br)c2cc(C)oc21 ZINC000785880436 1275208762 /nfs/dbraw/zinc/20/87/62/1275208762.db2.gz KAVJDFZUOMXFAW-JTQLQIEISA-N -1 0 335.157 2.572 20 30 EFEDRM C=CCCN(C)C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000786223078 1275342025 /nfs/dbraw/zinc/34/20/25/1275342025.db2.gz AEXJHFMOLBVEPI-UHFFFAOYSA-N -1 0 336.335 2.596 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC(F)(F)F ZINC000786305356 1275357957 /nfs/dbraw/zinc/35/79/57/1275357957.db2.gz DCQNBAZEGNNJFP-GFCCVEGCSA-N -1 0 349.312 2.828 20 30 EFEDRM C=C[C@@](C)(CC)COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000786531400 1275421169 /nfs/dbraw/zinc/42/11/69/1275421169.db2.gz YSEGMJGIRNKYLT-KRWDZBQOSA-N -1 0 332.425 2.981 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000786534738 1275422461 /nfs/dbraw/zinc/42/24/61/1275422461.db2.gz LSAIYRASXLWWPC-HNNXBMFYSA-N -1 0 344.802 2.585 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000786540057 1275424525 /nfs/dbraw/zinc/42/45/25/1275424525.db2.gz GMVJRPASOAHVEP-MRXNPFEDSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3nccnc3c2)c1 ZINC000786548346 1275438782 /nfs/dbraw/zinc/43/87/82/1275438782.db2.gz JXQWWTXIXXJCCF-INIZCTEOSA-N -1 0 344.374 2.577 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1C ZINC000786547345 1275439117 /nfs/dbraw/zinc/43/91/17/1275439117.db2.gz QRDUJEYVROVCRM-MRXNPFEDSA-N -1 0 343.814 2.934 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)c1 ZINC000786549846 1275439672 /nfs/dbraw/zinc/43/96/72/1275439672.db2.gz LQLBKDLZKISTEE-MRXNPFEDSA-N -1 0 338.411 2.585 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)c1 ZINC000786552554 1275441239 /nfs/dbraw/zinc/44/12/39/1275441239.db2.gz NSXXDDCHBKZPAP-CYBMUJFWSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786553404 1275441309 /nfs/dbraw/zinc/44/13/09/1275441309.db2.gz FYGXJZXZTOBBHG-GFCCVEGCSA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)c1 ZINC000786552576 1275441370 /nfs/dbraw/zinc/44/13/70/1275441370.db2.gz OASYWKOZOHTKOS-INIZCTEOSA-N -1 0 332.363 2.510 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)o1 ZINC000786555891 1275441398 /nfs/dbraw/zinc/44/13/98/1275441398.db2.gz XJAXSKOWPFFJMO-CYBMUJFWSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569244 1275446196 /nfs/dbraw/zinc/44/61/96/1275446196.db2.gz KCDLUMPGRKAQAX-CQSZACIVSA-N -1 0 328.318 2.912 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn2ccccc12)c1ccccc1 ZINC000787030303 1275619660 /nfs/dbraw/zinc/61/96/60/1275619660.db2.gz CVMSEEDNUPXNPF-WBVHZDCISA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn2ccccc12)c1ccccc1 ZINC000787030301 1275619872 /nfs/dbraw/zinc/61/98/72/1275619872.db2.gz CVMSEEDNUPXNPF-NVXWUHKLSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn2ccccc12)c1ccccc1 ZINC000787030302 1275620266 /nfs/dbraw/zinc/62/02/66/1275620266.db2.gz CVMSEEDNUPXNPF-RDJZCZTQSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(OC)nc1)c1ccccc1 ZINC000787046274 1275626670 /nfs/dbraw/zinc/62/66/70/1275626670.db2.gz PVRCCVABQLWIDG-JKSUJKDBSA-N -1 0 337.379 2.680 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)n[nH]1 ZINC000787045992 1275627866 /nfs/dbraw/zinc/62/78/66/1275627866.db2.gz LYRBUMUIYWJGKM-HZPDHXFCSA-N -1 0 338.411 2.952 20 30 EFEDRM CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167910 1275699961 /nfs/dbraw/zinc/69/99/61/1275699961.db2.gz GZQOHPVULUSONS-OKOBRVOXSA-N -1 0 341.319 2.769 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCc2cc(F)ccc2F)c1)C(=O)[O-] ZINC000746679455 1275766110 /nfs/dbraw/zinc/76/61/10/1275766110.db2.gz HDZYBQZHIXQPOL-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNC(=S)Nc2ccccc2)c1 ZINC000746679073 1275767125 /nfs/dbraw/zinc/76/71/25/1275767125.db2.gz LCKCXSPOQHCPPM-UHFFFAOYSA-N -1 0 343.408 2.861 20 30 EFEDRM C[C@H](Oc1cccc(C=NNc2nc3ccccc3n2C)c1)C(=O)[O-] ZINC000746679640 1275774040 /nfs/dbraw/zinc/77/40/40/1275774040.db2.gz KBGCUUGMXBCERP-LBPRGKRZSA-N -1 0 338.367 2.871 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2cccc(O[C@H](C)C(=O)[O-])c2)o1 ZINC000746680168 1275776199 /nfs/dbraw/zinc/77/61/99/1275776199.db2.gz QQEXZHVOWVXMJJ-LLVKDONJSA-N -1 0 342.355 2.968 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000787681215 1275854336 /nfs/dbraw/zinc/85/43/36/1275854336.db2.gz NXKOCOZHVQMJOW-ZDUSSCGKSA-N -1 0 343.452 2.886 20 30 EFEDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000788130738 1276048681 /nfs/dbraw/zinc/04/86/81/1276048681.db2.gz IYMSMWGRVJQLQB-UHFFFAOYSA-N -1 0 343.311 2.565 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(-n2cccn2)nn1 ZINC000788426872 1276163324 /nfs/dbraw/zinc/16/33/24/1276163324.db2.gz ZXNWLSRANHYTLR-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(-n2ccnc2)nn1 ZINC000788443594 1276173712 /nfs/dbraw/zinc/17/37/12/1276173712.db2.gz ZWPPSKRBTLGJHP-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NN[C@H](CO)c2ccccc2)c1[O-] ZINC000788456701 1276180085 /nfs/dbraw/zinc/18/00/85/1276180085.db2.gz VYOZDUPIFWDSKQ-CYBMUJFWSA-N -1 0 335.747 2.611 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(-c3cc(=O)n(-c4ccccc4)[n-]3)n2)c1 ZINC001212602042 1279013977 /nfs/dbraw/zinc/01/39/77/1279013977.db2.gz DYPQBVHSAWYKLD-UHFFFAOYSA-N -1 0 347.309 2.888 20 30 EFEDRM C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2O)CCC1 ZINC001062570345 1276272407 /nfs/dbraw/zinc/27/24/07/1276272407.db2.gz VLIBIZDGRJEIEJ-KGLIPLIRSA-N -1 0 330.428 2.619 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000788746679 1276311416 /nfs/dbraw/zinc/31/14/16/1276311416.db2.gz DCRZEAPQHXDIMD-UHFFFAOYSA-N -1 0 349.174 2.653 20 30 EFEDRM O=C([O-])[C@@H]1CCC(N=Nc2ncccc2[N+](=O)[O-])c2ccccc21 ZINC000789023819 1276461356 /nfs/dbraw/zinc/46/13/56/1276461356.db2.gz PJMYEPKQQRKJBW-GFCCVEGCSA-N -1 0 326.312 2.768 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000789490555 1276749288 /nfs/dbraw/zinc/74/92/88/1276749288.db2.gz BOZAQAAWCARUAT-CQSZACIVSA-N -1 0 343.333 2.561 20 30 EFEDRM CN(C(=O)[C@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923081340 1276749779 /nfs/dbraw/zinc/74/97/79/1276749779.db2.gz MOEGESJCDWXHSW-GOSISDBHSA-N -1 0 328.368 2.587 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000789490554 1276749815 /nfs/dbraw/zinc/74/98/15/1276749815.db2.gz BOZAQAAWCARUAT-AWEZNQCLSA-N -1 0 343.333 2.561 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000923098172 1276791973 /nfs/dbraw/zinc/79/19/73/1276791973.db2.gz HMYNHVKCISTLFR-UHFFFAOYSA-N -1 0 335.429 2.877 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000187085401 1276818412 /nfs/dbraw/zinc/81/84/12/1276818412.db2.gz LPRZSLQAFGTXMG-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM Cc1cccc2c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)coc21 ZINC000819941542 1276962174 /nfs/dbraw/zinc/96/21/74/1276962174.db2.gz OPYABCGDHMQBIC-HNNXBMFYSA-N -1 0 342.395 2.995 20 30 EFEDRM CC(=Cc1cccc(Br)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000789829062 1277019461 /nfs/dbraw/zinc/01/94/61/1277019461.db2.gz GKOJBRFNWCQQPN-SOFGYWHQSA-N -1 0 331.173 2.668 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000790000267 1277162303 /nfs/dbraw/zinc/16/23/03/1277162303.db2.gz SNPCMAMJXAVYHN-HNQUOIGGSA-N -1 0 329.333 2.673 20 30 EFEDRM Cc1cc(F)cc(-n2cc(C(=O)Nc3cc(C#N)ccc3[O-])nn2)c1 ZINC000790006077 1277165407 /nfs/dbraw/zinc/16/54/07/1277165407.db2.gz FQLPBHKLHOUQRA-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000820593208 1277219909 /nfs/dbraw/zinc/21/99/09/1277219909.db2.gz DNCMTJBRRJDHAI-UHFFFAOYSA-N -1 0 332.425 2.950 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000820621449 1277247307 /nfs/dbraw/zinc/24/73/07/1277247307.db2.gz FFNMQMQNUZDFBJ-UHFFFAOYSA-N -1 0 343.832 2.682 20 30 EFEDRM O=C([O-])COc1cccc(CN=Nc2cccc(F)c2[N+](=O)[O-])c1 ZINC000790308919 1277442597 /nfs/dbraw/zinc/44/25/97/1277442597.db2.gz TWNFFUXQRAAYBK-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1C1CCOCC1 ZINC001174982959 1287287728 /nfs/dbraw/zinc/28/77/28/1287287728.db2.gz AFYKOYSFYUFFQI-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790867604 1277812261 /nfs/dbraw/zinc/81/22/61/1277812261.db2.gz GFPJEGFIZVGQCF-WTKPLQERSA-N -1 0 346.330 2.738 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)CC1CCC1 ZINC000790863449 1277840564 /nfs/dbraw/zinc/84/05/64/1277840564.db2.gz XECRFRPAIBCJFN-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM Cc1c(F)ccc(NS(=O)(=O)CCC(C)(C)C#N)c1C(=O)[O-] ZINC000844666429 1279175601 /nfs/dbraw/zinc/17/56/01/1279175601.db2.gz HBIPCUIECPNGQJ-UHFFFAOYSA-N -1 0 328.365 2.514 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000844698438 1279207949 /nfs/dbraw/zinc/20/79/49/1279207949.db2.gz OWZZPCXAGXOHMH-JTQLQIEISA-N -1 0 345.321 2.801 20 30 EFEDRM CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1cc(Cl)ccc1[O-] ZINC000792884531 1279234641 /nfs/dbraw/zinc/23/46/41/1279234641.db2.gz KCRBEJMESOJDKJ-GQCTYLIASA-N -1 0 334.759 2.852 20 30 EFEDRM CC[C@@H](NN=C(C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000793072601 1279357363 /nfs/dbraw/zinc/35/73/63/1279357363.db2.gz UANKVBHCFHDHGJ-CHWSQXEVSA-N -1 0 327.425 2.605 20 30 EFEDRM CC[C@H](NN=CC1=Cc2cc(Br)ccc2OC1)C(=O)[O-] ZINC000793073221 1279357823 /nfs/dbraw/zinc/35/78/23/1279357823.db2.gz ZDVSWOAYUJWMHV-LBPRGKRZSA-N -1 0 339.189 2.664 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000793124321 1279372044 /nfs/dbraw/zinc/37/20/44/1279372044.db2.gz KWNLKWPEJYVSFW-LBPRGKRZSA-N -1 0 329.381 2.559 20 30 EFEDRM COC(=O)c1cc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])ccc1C ZINC000793096924 1279375726 /nfs/dbraw/zinc/37/57/26/1279375726.db2.gz FPQVSUSNYFEZQN-UHFFFAOYSA-N -1 0 329.312 2.841 20 30 EFEDRM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1sccc1[O-] ZINC000793192267 1279437330 /nfs/dbraw/zinc/43/73/30/1279437330.db2.gz SUDAHPQICFJFRD-UHFFFAOYSA-N -1 0 339.442 2.540 20 30 EFEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC(C)(C)C1 ZINC000793196347 1279441195 /nfs/dbraw/zinc/44/11/95/1279441195.db2.gz IUUKVTLQLKNGCG-STQMWFEESA-N -1 0 326.462 2.589 20 30 EFEDRM O=C1C(=N[N-]c2ncncc2F)c2ccccc2N1Cc1ccccc1 ZINC000793224938 1279451026 /nfs/dbraw/zinc/45/10/26/1279451026.db2.gz CVYXYBQHVGFLMD-UHFFFAOYSA-N -1 0 347.353 2.979 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793411696 1279605643 /nfs/dbraw/zinc/60/56/43/1279605643.db2.gz LXXOZECACDTUTB-UHFFFAOYSA-N -1 0 349.318 2.540 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793392245 1279622826 /nfs/dbraw/zinc/62/28/26/1279622826.db2.gz HFNBSTVLDPCDLP-UHFFFAOYSA-N -1 0 347.367 2.639 20 30 EFEDRM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)n21 ZINC000845441155 1279630785 /nfs/dbraw/zinc/63/07/85/1279630785.db2.gz OXRCXCXJMALOPE-OCCSQVGLSA-N -1 0 328.416 2.552 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793400379 1279633326 /nfs/dbraw/zinc/63/33/26/1279633326.db2.gz IZLVJAXENDICEC-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845440976 1279633759 /nfs/dbraw/zinc/63/37/59/1279633759.db2.gz WQVTYXHIYBRJRH-LBPRGKRZSA-N -1 0 334.759 2.561 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1coc2ccc(Cl)cc12 ZINC000845501267 1279684763 /nfs/dbraw/zinc/68/47/63/1279684763.db2.gz DQWKDFZZVXZKKB-UHFFFAOYSA-N -1 0 340.788 2.696 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000845886994 1279913356 /nfs/dbraw/zinc/91/33/56/1279913356.db2.gz HMEMUCXNMFMCHG-QWRGUYRKSA-N -1 0 328.290 2.950 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000845886995 1279913600 /nfs/dbraw/zinc/91/36/00/1279913600.db2.gz HMEMUCXNMFMCHG-WDEREUQCSA-N -1 0 328.290 2.950 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000846149349 1280036682 /nfs/dbraw/zinc/03/66/82/1280036682.db2.gz MBRCZSLXYWZIBD-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000846147272 1280037699 /nfs/dbraw/zinc/03/76/99/1280037699.db2.gz UHDPPPGGFKWMHK-HNNXBMFYSA-N -1 0 345.443 2.936 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000846152278 1280038179 /nfs/dbraw/zinc/03/81/79/1280038179.db2.gz ACFQVHIHNAUEOZ-CABCVRRESA-N -1 0 345.443 2.935 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000846152281 1280038395 /nfs/dbraw/zinc/03/83/95/1280038395.db2.gz ACFQVHIHNAUEOZ-LSDHHAIUSA-N -1 0 345.443 2.935 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000846153811 1280039322 /nfs/dbraw/zinc/03/93/22/1280039322.db2.gz IKVIUOUMRXHKDO-VIFPVBQESA-N -1 0 331.397 2.735 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000846153996 1280039353 /nfs/dbraw/zinc/03/93/53/1280039353.db2.gz LGJUZSNUNSEWDF-AWEZNQCLSA-N -1 0 334.416 2.981 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000846154471 1280039480 /nfs/dbraw/zinc/03/94/80/1280039480.db2.gz MERQCFNCMGOTRW-GFCCVEGCSA-N -1 0 332.375 2.606 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000846153656 1280039860 /nfs/dbraw/zinc/03/98/60/1280039860.db2.gz IOUFBZACYRTNFY-NSHDSACASA-N -1 0 345.399 2.977 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000846156241 1280040892 /nfs/dbraw/zinc/04/08/92/1280040892.db2.gz ZVHXWRQLTGKPBM-CQSZACIVSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000846157411 1280040980 /nfs/dbraw/zinc/04/09/80/1280040980.db2.gz UGDZYDGNODNUGH-ZDUSSCGKSA-N -1 0 342.399 2.557 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000846155697 1280041119 /nfs/dbraw/zinc/04/11/19/1280041119.db2.gz XRTXXAMGYYNKEF-WDEREUQCSA-N -1 0 337.445 2.609 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000846155180 1280041207 /nfs/dbraw/zinc/04/12/07/1280041207.db2.gz VJEZRUYWXYPWTN-SNVBAGLBSA-N -1 0 326.780 2.688 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000846145914 1280052009 /nfs/dbraw/zinc/05/20/09/1280052009.db2.gz DIMHDEYUIDLBMT-UHFFFAOYSA-N -1 0 331.416 2.629 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000846145411 1280052551 /nfs/dbraw/zinc/05/25/51/1280052551.db2.gz BZYXXVGGRURDHI-UHFFFAOYSA-N -1 0 334.416 2.873 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1ccc(OC)c(OC)c1Br ZINC000846263812 1280090610 /nfs/dbraw/zinc/09/06/10/1280090610.db2.gz XMZGZZITFOTCPQ-UHFFFAOYSA-N -1 0 344.205 2.539 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000042234073 1280112544 /nfs/dbraw/zinc/11/25/44/1280112544.db2.gz AVZKQEAXAZJNPU-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846542700 1280237508 /nfs/dbraw/zinc/23/75/08/1280237508.db2.gz GJRMJRGJILFUEZ-GWCFXTLKSA-N -1 0 335.795 2.567 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846542864 1280237882 /nfs/dbraw/zinc/23/78/82/1280237882.db2.gz IDHOOOPXIJCCDP-OYDALLEOSA-N -1 0 348.487 2.966 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000846543777 1280238984 /nfs/dbraw/zinc/23/89/84/1280238984.db2.gz RZMKXZXDAJTMKW-LLVKDONJSA-N -1 0 348.424 2.992 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000846545769 1280239939 /nfs/dbraw/zinc/23/99/39/1280239939.db2.gz QUESXMAFRQAWJE-ZDUSSCGKSA-N -1 0 346.427 2.671 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846547110 1280240514 /nfs/dbraw/zinc/24/05/14/1280240514.db2.gz ILTAHYNSVRHTBY-MFKMUULPSA-N -1 0 332.429 2.591 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000846545596 1280240654 /nfs/dbraw/zinc/24/06/54/1280240654.db2.gz HZGZAPSBEXSENI-JTQLQIEISA-N -1 0 330.306 2.576 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000846546529 1280242049 /nfs/dbraw/zinc/24/20/49/1280242049.db2.gz CPNIXHTXCUJCDK-ISOBSLSZSA-N -1 0 340.782 2.621 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000846549987 1280244324 /nfs/dbraw/zinc/24/43/24/1280244324.db2.gz MVDNLCJGPLLBSQ-RKDXNWHRSA-N -1 0 332.169 2.978 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000846552734 1280246682 /nfs/dbraw/zinc/24/66/82/1280246682.db2.gz OPDBFFQKAOTUJP-JTQLQIEISA-N -1 0 338.201 2.672 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846553671 1280246948 /nfs/dbraw/zinc/24/69/48/1280246948.db2.gz FOSVUZDRDXWISS-GHMZBOCLSA-N -1 0 334.363 2.501 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846536087 1280250146 /nfs/dbraw/zinc/25/01/46/1280250146.db2.gz SBJNBWOAQAIOGH-INIZCTEOSA-N -1 0 334.416 2.951 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846536363 1280250674 /nfs/dbraw/zinc/25/06/74/1280250674.db2.gz IIQMKXAOMMPJOB-CYBMUJFWSA-N -1 0 332.429 2.592 20 30 EFEDRM C=C(C)CO[N-]C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000846537815 1280252312 /nfs/dbraw/zinc/25/23/12/1280252312.db2.gz NOFXPWDIZOICRA-UHFFFAOYSA-N -1 0 332.429 2.600 20 30 EFEDRM C=C(C)CO[N-]C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000846539226 1280253164 /nfs/dbraw/zinc/25/31/64/1280253164.db2.gz DPPILBVZJQXFCF-UHFFFAOYSA-N -1 0 332.381 2.705 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846539984 1280255321 /nfs/dbraw/zinc/25/53/21/1280255321.db2.gz RDJUUUHKLALYRF-LLVKDONJSA-N -1 0 343.210 2.970 20 30 EFEDRM CC(=O)O[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])c1ccccc1 ZINC001144929729 1280477818 /nfs/dbraw/zinc/47/78/18/1280477818.db2.gz DMHTWYWSYSGMPV-INIZCTEOSA-N -1 0 328.299 2.646 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000805876469 1280839320 /nfs/dbraw/zinc/83/93/20/1280839320.db2.gz KLSVYJVSYBSYPD-UHFFFAOYSA-N -1 0 331.397 2.514 20 30 EFEDRM C[C@H](Cc1cncc2ccccc21)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000805898534 1280856818 /nfs/dbraw/zinc/85/68/18/1280856818.db2.gz OHDFSMWMJSYXML-DYVFJYSZSA-N -1 0 346.390 2.739 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805905051 1280865001 /nfs/dbraw/zinc/86/50/01/1280865001.db2.gz DCUDIQMCPLSHGJ-UHFFFAOYSA-N -1 0 328.821 2.927 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc1 ZINC000806564251 1281096743 /nfs/dbraw/zinc/09/67/43/1281096743.db2.gz NKCZJVMONDNDIY-RMKNXTFCSA-N -1 0 340.379 2.969 20 30 EFEDRM Cc1ncc(CO)c(C(=O)Nc2c(F)cc(C#N)cc2Cl)c1[O-] ZINC001147842521 1281316673 /nfs/dbraw/zinc/31/66/73/1281316673.db2.gz BQIVNHKKFHICSM-UHFFFAOYSA-N -1 0 335.722 2.504 20 30 EFEDRM CC(C)(NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC001147889817 1281323557 /nfs/dbraw/zinc/32/35/57/1281323557.db2.gz SICWFHRRTQXJCV-UHFFFAOYSA-N -1 0 346.390 2.702 20 30 EFEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1 ZINC000747407335 1281362639 /nfs/dbraw/zinc/36/26/39/1281362639.db2.gz QTLDHVUKPAWQGG-UHFFFAOYSA-N -1 0 348.428 2.776 20 30 EFEDRM C[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1cccc(C#N)c1 ZINC000747412979 1281382466 /nfs/dbraw/zinc/38/24/66/1281382466.db2.gz CCYJUFCGCHUTOP-QMMMGPOBSA-N -1 0 336.467 2.668 20 30 EFEDRM FC(F)(F)c1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c[nH]1 ZINC000807948763 1281476300 /nfs/dbraw/zinc/47/63/00/1281476300.db2.gz AFDCCZHHWDFGOI-UHFFFAOYSA-N -1 0 329.229 2.815 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1nccnc1C1CCC1 ZINC000807992440 1281485217 /nfs/dbraw/zinc/48/52/17/1281485217.db2.gz FFKCRTQAYTUCPO-UHFFFAOYSA-N -1 0 336.355 2.765 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000807991103 1281485481 /nfs/dbraw/zinc/48/54/81/1281485481.db2.gz IUETYTVLKZYUBH-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM C[C@H](C#N)c1cccc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001148609947 1281652396 /nfs/dbraw/zinc/65/23/96/1281652396.db2.gz HZNOPCDMMUPUCV-SECBINFHSA-N -1 0 340.343 2.525 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000808940355 1281977364 /nfs/dbraw/zinc/97/73/64/1281977364.db2.gz WBQTXLKLNJNDCE-UHFFFAOYSA-N -1 0 342.399 2.776 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CCF)c1 ZINC000808978499 1281979524 /nfs/dbraw/zinc/97/95/24/1281979524.db2.gz MZBJJGCRDLAEHS-AWEZNQCLSA-N -1 0 338.342 2.848 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)cc1 ZINC000808979968 1281979715 /nfs/dbraw/zinc/97/97/15/1281979715.db2.gz PZJGVYBESUBSFJ-CYBMUJFWSA-N -1 0 325.324 2.522 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1 ZINC000808980069 1281981114 /nfs/dbraw/zinc/98/11/14/1281981114.db2.gz SHGYQAQOANBACG-NSHDSACASA-N -1 0 325.324 2.522 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808980214 1281981827 /nfs/dbraw/zinc/98/18/27/1281981827.db2.gz WOLUEQUCIIJJJI-AWEZNQCLSA-N -1 0 347.296 2.739 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1C(C)C ZINC000872345723 1287546182 /nfs/dbraw/zinc/54/61/82/1287546182.db2.gz XNWXUTITGWZBPT-UHFFFAOYSA-N -1 0 348.428 2.730 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1O ZINC000809155327 1282066905 /nfs/dbraw/zinc/06/69/05/1282066905.db2.gz ULOWWTFXABALSD-BHQIHCQQSA-N -1 0 337.331 2.871 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)ccc1O ZINC000809156420 1282069333 /nfs/dbraw/zinc/06/93/33/1282069333.db2.gz HCEPZQOVZCQEDK-GQCTYLIASA-N -1 0 335.319 2.567 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(OC)cc1O ZINC000809158318 1282070070 /nfs/dbraw/zinc/07/00/70/1282070070.db2.gz SDHJIFSYLUVBQZ-HYXAFXHYSA-N -1 0 344.319 2.709 20 30 EFEDRM C[C@H]1CC(N=Nc2cc(Br)ncn2)CC[C@@H]1C(=O)[O-] ZINC000872436869 1287582024 /nfs/dbraw/zinc/58/20/24/1287582024.db2.gz SMNHXAAULPBZPA-CBAPKCEASA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Br)ncn1 ZINC000872436363 1287582659 /nfs/dbraw/zinc/58/26/59/1287582659.db2.gz APENBXAWBZBNMZ-SFYZADRCSA-N -1 0 327.182 2.528 20 30 EFEDRM COc1c(O)cccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000810223864 1283051560 /nfs/dbraw/zinc/05/15/60/1283051560.db2.gz BJNVEZGHIAJARN-HJWRWDBZSA-N -1 0 328.320 2.760 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810526604 1283319166 /nfs/dbraw/zinc/31/91/66/1283319166.db2.gz CYKBLBOTXKHFKK-KRWDZBQOSA-N -1 0 326.396 2.729 20 30 EFEDRM COc1cc(C(C)=NNc2[n-]cnc3ncnc2-3)ccc1SC ZINC000747611464 1283382969 /nfs/dbraw/zinc/38/29/69/1283382969.db2.gz SSOVXDYZMCNPSF-UHFFFAOYSA-N -1 0 328.401 2.920 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCc1ccccc1Cl ZINC000810657467 1283436406 /nfs/dbraw/zinc/43/64/06/1283436406.db2.gz ZERVFKJRMIYPPD-UHFFFAOYSA-N -1 0 342.848 2.658 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1)c1ccccc1 ZINC000810709434 1283546207 /nfs/dbraw/zinc/54/62/07/1283546207.db2.gz APUTYSYLCBGLES-JKSUJKDBSA-N -1 0 332.363 2.543 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccn1C ZINC000810708783 1283548406 /nfs/dbraw/zinc/54/84/06/1283548406.db2.gz YODAPPYGIAPKIT-ZDUSSCGKSA-N -1 0 345.349 2.505 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccnc3ccncc32)c1 ZINC000810709098 1283548779 /nfs/dbraw/zinc/54/87/79/1283548779.db2.gz PSXDZLILWNXUJT-INIZCTEOSA-N -1 0 344.374 2.577 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000810780933 1283586732 /nfs/dbraw/zinc/58/67/32/1283586732.db2.gz XPJONICYYOGEQB-UHFFFAOYSA-N -1 0 329.421 2.632 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1occc1CSc1ccccc1 ZINC000810783739 1283587630 /nfs/dbraw/zinc/58/76/30/1283587630.db2.gz CMAIIOGBKVUJTR-UHFFFAOYSA-N -1 0 349.433 2.655 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000810783911 1283588039 /nfs/dbraw/zinc/58/80/39/1283588039.db2.gz JUTWAFJQWCSBCS-UHFFFAOYSA-N -1 0 341.841 2.946 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1SCC ZINC000810784883 1283588079 /nfs/dbraw/zinc/58/80/79/1283588079.db2.gz RBJGIAUYWQOKSJ-UHFFFAOYSA-N -1 0 331.846 2.535 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC000810770515 1283620729 /nfs/dbraw/zinc/62/07/29/1283620729.db2.gz OOHPQDOGUPLQTN-UHFFFAOYSA-N -1 0 325.474 2.987 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000810772673 1283623744 /nfs/dbraw/zinc/62/37/44/1283623744.db2.gz AFVXBECLCYHVKY-UHFFFAOYSA-N -1 0 341.841 2.946 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000810776023 1283633048 /nfs/dbraw/zinc/63/30/48/1283633048.db2.gz FAKJRIAPZKQIBS-CQSZACIVSA-N -1 0 327.833 2.549 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CC(c1ccccc1)c1ccccc1 ZINC000810772913 1283634546 /nfs/dbraw/zinc/63/45/46/1283634546.db2.gz KBVFHEDVJICDRR-UHFFFAOYSA-N -1 0 341.432 2.678 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(CC)cc2)o1 ZINC000810775105 1283634670 /nfs/dbraw/zinc/63/46/70/1283634670.db2.gz UYGHYJWMOUQRTL-UHFFFAOYSA-N -1 0 331.393 2.592 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000810778425 1283636222 /nfs/dbraw/zinc/63/62/22/1283636222.db2.gz XKGSNEWOQOGUOG-VIFPVBQESA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000810778373 1283636420 /nfs/dbraw/zinc/63/64/20/1283636420.db2.gz VJWVZFOWSBIXTD-QWHCGFSZSA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000810780220 1283646996 /nfs/dbraw/zinc/64/69/96/1283646996.db2.gz ULIZNZPKTWNINP-UHFFFAOYSA-N -1 0 336.457 2.693 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810965325 1283862484 /nfs/dbraw/zinc/86/24/84/1283862484.db2.gz DDJNURUVAWNYAB-UHFFFAOYSA-N -1 0 339.379 2.747 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](SC)c2ccccc2)CC1 ZINC000810980830 1283885113 /nfs/dbraw/zinc/88/51/13/1283885113.db2.gz HAQYRVTXSBWVBW-CYBMUJFWSA-N -1 0 325.455 2.645 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000810980827 1283885633 /nfs/dbraw/zinc/88/56/33/1283885633.db2.gz GXOAHENETNDVSL-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCOc2ccccc2)CC1 ZINC000810982049 1283907235 /nfs/dbraw/zinc/90/72/35/1283907235.db2.gz KQPVDZQMVFAOIZ-CQSZACIVSA-N -1 0 337.441 2.646 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000810981121 1283907424 /nfs/dbraw/zinc/90/74/24/1283907424.db2.gz MJCWRFQTSHAHNW-QWRGUYRKSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)nc2C)CC1 ZINC000810983553 1283907963 /nfs/dbraw/zinc/90/79/63/1283907963.db2.gz UPLMYHQEJAEXAA-UHFFFAOYSA-N -1 0 348.346 2.577 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSCc2cccc(C)c2)CC1 ZINC000810982362 1283908039 /nfs/dbraw/zinc/90/80/39/1283908039.db2.gz PTAISDVIDVTXHY-UHFFFAOYSA-N -1 0 339.482 2.783 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2coc3cc(F)ccc23)CC1 ZINC000810984170 1283912550 /nfs/dbraw/zinc/91/25/50/1283912550.db2.gz UNHBCRSRUDEXDE-UHFFFAOYSA-N -1 0 337.372 2.669 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cn2ccc3ccccc32)CC1 ZINC000810985069 1283913144 /nfs/dbraw/zinc/91/31/44/1283913144.db2.gz WLIANQIMFLIQOE-CQSZACIVSA-N -1 0 346.452 2.832 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3nccc(C)c3c2)CC1 ZINC000810985755 1283913253 /nfs/dbraw/zinc/91/32/53/1283913253.db2.gz SMBBBGASGQVDMB-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccn2Cc2ccccc2)CC1 ZINC000810985922 1283913564 /nfs/dbraw/zinc/91/35/64/1283913564.db2.gz KYCLXZHZZGRYMJ-UHFFFAOYSA-N -1 0 344.436 2.705 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2F)CC1 ZINC000810986403 1283913958 /nfs/dbraw/zinc/91/39/58/1283913958.db2.gz YLCBNEPYUJAMLO-UHFFFAOYSA-N -1 0 341.404 2.539 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC000810988610 1283915105 /nfs/dbraw/zinc/91/51/05/1283915105.db2.gz SYNKSDJNOYKOJU-UHFFFAOYSA-N -1 0 333.453 2.954 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2cccc(OC)c2)CC1 ZINC000810987823 1283915528 /nfs/dbraw/zinc/91/55/28/1283915528.db2.gz AXVNWLKSTDKLPU-ZDUSSCGKSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000810986121 1283915634 /nfs/dbraw/zinc/91/56/34/1283915634.db2.gz PCIICLICNOFULA-CYBMUJFWSA-N -1 0 339.432 2.949 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccc(OC)cc3)CCC2)CC1 ZINC000810988186 1283916688 /nfs/dbraw/zinc/91/66/88/1283916688.db2.gz LECKXHZZHMLOII-UHFFFAOYSA-N -1 0 349.452 2.672 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000810988118 1283917180 /nfs/dbraw/zinc/91/71/80/1283917180.db2.gz JDYHWPVGOVRQRV-NWDGAFQWSA-N -1 0 325.455 2.715 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000811207196 1284117737 /nfs/dbraw/zinc/11/77/37/1284117737.db2.gz NDEKBROKYBHNFZ-UHFFFAOYSA-N -1 0 347.436 2.779 20 30 EFEDRM CCc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccc1O ZINC000811305242 1284201821 /nfs/dbraw/zinc/20/18/21/1284201821.db2.gz IUFSGIOAPGFXKN-ZDUSSCGKSA-N -1 0 344.392 2.753 20 30 EFEDRM C#CCN(CC#CC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000815704817 1287699599 /nfs/dbraw/zinc/69/95/99/1287699599.db2.gz QLYQHZROEDUIRT-UHFFFAOYSA-N -1 0 335.407 2.800 20 30 EFEDRM N#Cc1cc(Nc2cccc(S(=O)(=O)NC3CC3)c2)c([O-])cc1F ZINC001176105281 1287709766 /nfs/dbraw/zinc/70/97/66/1287709766.db2.gz APSMIWNRPLJXFP-UHFFFAOYSA-N -1 0 347.371 2.587 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000811628650 1284443568 /nfs/dbraw/zinc/44/35/68/1284443568.db2.gz HDWCJUAUYKJHEG-SNVBAGLBSA-N -1 0 335.408 2.535 20 30 EFEDRM C[C@H]1C(=NNc2cnnc([O-])c2Cl)CCN1Cc1ccccc1 ZINC000811637130 1284468001 /nfs/dbraw/zinc/46/80/01/1284468001.db2.gz UDSCSDIVFPDBGP-NSHDSACASA-N -1 0 331.807 2.898 20 30 EFEDRM COc1ccc(Br)c(C=NNc2nc(C)cc(=O)[nH]2)c1 ZINC000747735523 1284498536 /nfs/dbraw/zinc/49/85/36/1284498536.db2.gz ACBQQYCPTQKWPG-UHFFFAOYSA-N -1 0 337.177 2.708 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC000811823491 1284685054 /nfs/dbraw/zinc/68/50/54/1284685054.db2.gz YHVDWTFUVQTHOF-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Br)c2)C(=O)O1 ZINC000105639142 1284987686 /nfs/dbraw/zinc/98/76/86/1284987686.db2.gz ZOALIJLVCRHSJJ-GEXIGZQTSA-N -1 0 335.153 2.677 20 30 EFEDRM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000812490474 1285175976 /nfs/dbraw/zinc/17/59/76/1285175976.db2.gz GLTCMVPHMKVXGI-VOTSOKGWSA-N -1 0 334.759 2.741 20 30 EFEDRM N#Cc1ccc(OCCNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001171484554 1285563507 /nfs/dbraw/zinc/56/35/07/1285563507.db2.gz MLLJTLHMAUVYTE-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)CCCC#N)cc1C(C)C ZINC000813093411 1285644644 /nfs/dbraw/zinc/64/46/44/1285644644.db2.gz AINRPWMUTLQWHL-UHFFFAOYSA-N -1 0 338.429 2.626 20 30 EFEDRM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)CCCC#N ZINC000813076930 1285658480 /nfs/dbraw/zinc/65/84/80/1285658480.db2.gz RZWCKOUEKSYREE-UHFFFAOYSA-N -1 0 334.319 2.513 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000813677550 1286060236 /nfs/dbraw/zinc/06/02/36/1286060236.db2.gz AFICGLNTEJNPLV-INIZCTEOSA-N -1 0 332.363 2.892 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814012680 1286235980 /nfs/dbraw/zinc/23/59/80/1286235980.db2.gz JHMABMBAIIINCG-DZGCQCFKSA-N -1 0 325.430 2.565 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814012685 1286236361 /nfs/dbraw/zinc/23/63/61/1286236361.db2.gz JHMABMBAIIINCG-ZFWWWQNUSA-N -1 0 325.430 2.565 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814012683 1286236543 /nfs/dbraw/zinc/23/65/43/1286236543.db2.gz JHMABMBAIIINCG-UKRRQHHQSA-N -1 0 325.430 2.565 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814021982 1286241110 /nfs/dbraw/zinc/24/11/10/1286241110.db2.gz RTTLZWJKJNUBCH-DOTOQJQBSA-N -1 0 339.457 2.813 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000814020690 1286241748 /nfs/dbraw/zinc/24/17/48/1286241748.db2.gz UZAGLYJVZKDUFB-INIZCTEOSA-N -1 0 328.393 2.769 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814020642 1286242035 /nfs/dbraw/zinc/24/20/35/1286242035.db2.gz UKBODJJPEZFXOO-SFHVURJKSA-N -1 0 341.432 2.808 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001174178808 1286926377 /nfs/dbraw/zinc/92/63/77/1286926377.db2.gz WNDLCGPWTIKULW-UHFFFAOYSA-N -1 0 329.381 2.541 20 30 EFEDRM Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000814692920 1286944806 /nfs/dbraw/zinc/94/48/06/1286944806.db2.gz LVNIAOHNBIRFIZ-UHFFFAOYSA-N -1 0 342.779 2.806 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNS(=O)(=O)c1ccccc1 ZINC000814693987 1286946466 /nfs/dbraw/zinc/94/64/66/1286946466.db2.gz QRMTWRZQJNDEOJ-UHFFFAOYSA-N -1 0 326.418 2.766 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814715972 1286960783 /nfs/dbraw/zinc/96/07/83/1286960783.db2.gz UELCZHPYPIFOQZ-CMPLNLGQSA-N -1 0 335.429 2.858 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1nc(-c2ccccc2)cs1 ZINC000814734611 1286974773 /nfs/dbraw/zinc/97/47/73/1286974773.db2.gz FZYJLBMNEHTGTN-UHFFFAOYSA-N -1 0 326.385 2.845 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814770507 1287012585 /nfs/dbraw/zinc/01/25/85/1287012585.db2.gz HSGFVFWJTXNYQB-AAEUAGOBSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)NCCc1cccs1 ZINC000814792309 1287021189 /nfs/dbraw/zinc/02/11/89/1287021189.db2.gz FUVGDVHIEXPUAF-QWRGUYRKSA-N -1 0 339.486 2.632 20 30 EFEDRM CC(N=Nc1cncc(Cl)n1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814798109 1287027676 /nfs/dbraw/zinc/02/76/76/1287027676.db2.gz ZOVAHLGHTLOUJQ-SNVBAGLBSA-N -1 0 334.763 2.818 20 30 EFEDRM N#Cc1cc2cccnc2nc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502687 1287042580 /nfs/dbraw/zinc/04/25/80/1287042580.db2.gz FCXBZQHLXFXWQO-UHFFFAOYSA-N -1 0 335.279 2.851 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814831687 1287077855 /nfs/dbraw/zinc/07/78/55/1287077855.db2.gz MWVKJMAQBXCWQR-YPMHNXCESA-N -1 0 329.425 2.831 20 30 EFEDRM CC(=NNC(=S)NCC1CCC1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814833653 1287082313 /nfs/dbraw/zinc/08/23/13/1287082313.db2.gz OMUCRYRDJGRNGG-GFCCVEGCSA-N -1 0 349.456 2.527 20 30 EFEDRM CCCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(OC)cc1 ZINC000814847925 1287096298 /nfs/dbraw/zinc/09/62/98/1287096298.db2.gz JGDPSNXXWHVZQA-UHFFFAOYSA-N -1 0 340.387 2.694 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174670098 1287106090 /nfs/dbraw/zinc/10/60/90/1287106090.db2.gz HERGCIGPPFNZGL-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM CC(=NNC(=S)N[C@H](C)C1CC1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814866110 1287107870 /nfs/dbraw/zinc/10/78/70/1287107870.db2.gz JILNDXHKDASHRX-PWSUYJOCSA-N -1 0 349.456 2.525 20 30 EFEDRM CC(N=Nc1ncccc1[N+](=O)[O-])c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814870432 1287111157 /nfs/dbraw/zinc/11/11/57/1287111157.db2.gz CCJCEXYDGMPOOU-LLVKDONJSA-N -1 0 344.327 2.678 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174683088 1287111917 /nfs/dbraw/zinc/11/19/17/1287111917.db2.gz RBFJMHBEBXNBTE-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ncccc2[N+](=O)[O-])C1 ZINC000814870549 1287112163 /nfs/dbraw/zinc/11/21/63/1287112163.db2.gz HXLDBHBOVNLJSQ-UHFFFAOYSA-N -1 0 326.312 2.574 20 30 EFEDRM CCOC(=O)c1cnc(N=NC(C)c2csc(C(=O)[O-])c2)nc1C ZINC000814894459 1287133668 /nfs/dbraw/zinc/13/36/68/1287133668.db2.gz MGEROUMQLKELFD-UHFFFAOYSA-N -1 0 348.384 2.558 20 30 EFEDRM C[C@H]1C(N=Nc2cc(Cl)nc(N)n2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814899066 1287139928 /nfs/dbraw/zinc/13/99/28/1287139928.db2.gz GTLIWGLKZRAQNQ-YUMQZZPRSA-N -1 0 325.800 2.637 20 30 EFEDRM CC(=NNCCC(=O)OC(C)(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814901767 1287141658 /nfs/dbraw/zinc/14/16/58/1287141658.db2.gz WWKQGWKWTCHNBZ-OLZOCXBDSA-N -1 0 326.437 2.821 20 30 EFEDRM CC(N=Nc1ncncc1Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814909557 1287148082 /nfs/dbraw/zinc/14/80/82/1287148082.db2.gz MYCIDWOWZVQDIO-JTQLQIEISA-N -1 0 334.763 2.818 20 30 EFEDRM COc1ccc(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)nc1 ZINC000814909173 1287148224 /nfs/dbraw/zinc/14/82/24/1287148224.db2.gz IWKLBDDZHNKLEU-LBPRGKRZSA-N -1 0 329.356 2.778 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCCc1ccccn1 ZINC000814924962 1287158071 /nfs/dbraw/zinc/15/80/71/1287158071.db2.gz JSMAXDVYVUXJHN-UHFFFAOYSA-N -1 0 341.411 2.686 20 30 EFEDRM CC[C@H](NN=C1CCc2cccc(Br)c2C1)C(=O)[O-] ZINC000814936746 1287167891 /nfs/dbraw/zinc/16/78/91/1287167891.db2.gz HWTSMXUYGKDWBR-ZDUSSCGKSA-N -1 0 325.206 2.747 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOC[C@H]1CCOC1 ZINC000814912337 1287172503 /nfs/dbraw/zinc/17/25/03/1287172503.db2.gz PUPXZIYBLKSNCU-ZBFHGGJFSA-N -1 0 335.400 2.900 20 30 EFEDRM CC(=N[N-]c1[nH+]ccn1C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814918127 1287177143 /nfs/dbraw/zinc/17/71/43/1287177143.db2.gz CAHQTWRHQQYFNW-UHFFFAOYSA-N -1 0 326.356 2.938 20 30 EFEDRM CN1c2ccccc2C(=N[N-]c2nnc(-c3ccccc3)s2)C1=O ZINC000814949015 1287180742 /nfs/dbraw/zinc/18/07/42/1287180742.db2.gz PZOVSHFOGOUVDB-UHFFFAOYSA-N -1 0 335.392 2.998 20 30 EFEDRM CC(=NNCC(=O)[O-])c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000814956723 1287185075 /nfs/dbraw/zinc/18/50/75/1287185075.db2.gz LCIRJZLTYYOETJ-UHFFFAOYSA-N -1 0 341.198 2.886 20 30 EFEDRM O=C([O-])CNN=C(CC(F)(F)F)c1ccc(Br)cc1 ZINC000814957298 1287187505 /nfs/dbraw/zinc/18/75/05/1287187505.db2.gz YFIQIIFNTKSEJI-UHFFFAOYSA-N -1 0 339.111 2.780 20 30 EFEDRM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCC(=O)[O-] ZINC000814960886 1287188272 /nfs/dbraw/zinc/18/82/72/1287188272.db2.gz XEZKACQHRLHCOP-UHFFFAOYSA-N -1 0 341.198 2.555 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815793381 1287839808 /nfs/dbraw/zinc/83/98/08/1287839808.db2.gz VGVOGTSIIUXWQX-LBPRGKRZSA-N -1 0 347.440 2.867 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cs1 ZINC000816037357 1287949706 /nfs/dbraw/zinc/94/97/06/1287949706.db2.gz LHPPHQQSQZBUGA-HNNXBMFYSA-N -1 0 340.404 2.898 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590129 1288027591 /nfs/dbraw/zinc/02/75/91/1288027591.db2.gz SBBAXOYKAIOEME-RMKNXTFCSA-N -1 0 331.335 2.980 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593348 1288028500 /nfs/dbraw/zinc/02/85/00/1288028500.db2.gz ATEJQVUYRPMLOY-ZZXKWVIFSA-N -1 0 338.367 2.948 20 30 EFEDRM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001176950511 1288192287 /nfs/dbraw/zinc/19/22/87/1288192287.db2.gz GKEKIQTWMLCSNE-UHFFFAOYSA-N -1 0 342.252 2.565 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c([O-])cc1F ZINC001176967518 1288197892 /nfs/dbraw/zinc/19/78/92/1288197892.db2.gz ORNWSJHYWUKLQY-GFCCVEGCSA-N -1 0 340.358 2.653 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]Oc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000816684152 1288244412 /nfs/dbraw/zinc/24/44/12/1288244412.db2.gz OZYVJVYHBOEHMB-IBGZPJMESA-N -1 0 344.411 2.890 20 30 EFEDRM CC(=NN[C@@H]1CCC[C@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000817336472 1288557799 /nfs/dbraw/zinc/55/77/99/1288557799.db2.gz DBDPGVXNWXQJPB-VXGBXAGGSA-N -1 0 331.185 2.521 20 30 EFEDRM Cc1cc(=O)n(-c2ccc(NC(C)(C)c3ccc(C#N)cc3)nn2)[n-]1 ZINC001165743658 1312674350 /nfs/dbraw/zinc/67/43/50/1312674350.db2.gz XOGZHGHKRQGEIL-UHFFFAOYSA-N -1 0 334.383 2.808 20 30 EFEDRM CN(C)Cc1cnc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)s1 ZINC000794695236 1302977717 /nfs/dbraw/zinc/97/77/17/1302977717.db2.gz MJHVUBQNEQHLIC-SREVYHEPSA-N -1 0 346.408 2.564 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000863189728 1302550758 /nfs/dbraw/zinc/55/07/58/1302550758.db2.gz UPORQHUUQBVLKE-FNORWQNLSA-N -1 0 346.358 2.880 20 30 EFEDRM C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000870243448 1305221578 /nfs/dbraw/zinc/22/15/78/1305221578.db2.gz NLNVAWUJTAOGME-DOMZBBRYSA-N -1 0 327.359 2.720 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccccc1C(F)(F)F ZINC000870244291 1305221793 /nfs/dbraw/zinc/22/17/93/1305221793.db2.gz XAXREYFJIGGMMC-LBPRGKRZSA-N -1 0 349.312 2.963 20 30 EFEDRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@@H]1CCCN(O)C1=O ZINC000823161067 1289231937 /nfs/dbraw/zinc/23/19/37/1289231937.db2.gz NYACWGZXLRMHBD-CYBMUJFWSA-N -1 0 345.424 2.537 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823377900 1289284664 /nfs/dbraw/zinc/28/46/64/1289284664.db2.gz RNCUWDWFMMYHTN-WBVHZDCISA-N -1 0 341.363 2.928 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c(NC(=O)CC3(C(=O)[O-])CCC3)sc2C1 ZINC000872868972 1289434736 /nfs/dbraw/zinc/43/47/36/1289434736.db2.gz JEODYDRGDVZSTE-JTQLQIEISA-N -1 0 348.424 2.707 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCC[C@@H]3C(=O)[O-])sc2C1 ZINC000872869937 1289435539 /nfs/dbraw/zinc/43/55/39/1289435539.db2.gz WTPJCVXSZXGYHR-USWWRNFRSA-N -1 0 348.424 2.563 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCC[C@H]3C(=O)[O-])sc2C1 ZINC000872869938 1289435695 /nfs/dbraw/zinc/43/56/95/1289435695.db2.gz WTPJCVXSZXGYHR-YUSALJHKSA-N -1 0 348.424 2.563 20 30 EFEDRM C=C(Br)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000872914462 1289461813 /nfs/dbraw/zinc/46/18/13/1289461813.db2.gz IUVDAOPUSVBZDF-LBPRGKRZSA-N -1 0 332.219 2.505 20 30 EFEDRM C=C(Br)CNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000872914544 1289462264 /nfs/dbraw/zinc/46/22/64/1289462264.db2.gz LFKUKKSWDUAISB-CQSZACIVSA-N -1 0 344.180 2.583 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)SCC(=O)[O-] ZINC000872947057 1289480887 /nfs/dbraw/zinc/48/08/87/1289480887.db2.gz GYABHVQDZFEGPV-UHFFFAOYSA-N -1 0 337.441 2.806 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](CC(=O)NOCC(=C)C)c1ccc(C)cc1 ZINC000824028944 1289515484 /nfs/dbraw/zinc/51/54/84/1289515484.db2.gz XSTYIOBIYQHDFN-QGZVFWFLSA-N -1 0 346.427 2.717 20 30 EFEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)NC(C)C)c2)cc1 ZINC000124569229 1289926268 /nfs/dbraw/zinc/92/62/68/1289926268.db2.gz RONZUAAZQTXIFH-QGZVFWFLSA-N -1 0 337.379 2.604 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582662 1289942303 /nfs/dbraw/zinc/94/23/03/1289942303.db2.gz QDQZRBGUSXVNBH-UHFFFAOYSA-N -1 0 348.251 2.989 20 30 EFEDRM CCOC(=O)CN(CCC#N)Cc1ccc(Cl)c([O-])c1Cl ZINC001232628468 1312746369 /nfs/dbraw/zinc/74/63/69/1312746369.db2.gz FYDOQWMYRMQJKW-UHFFFAOYSA-N -1 0 331.199 2.978 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCN(c3ncccc3Cl)CC2)c1 ZINC001232677168 1312758257 /nfs/dbraw/zinc/75/82/57/1312758257.db2.gz BPFUOKBSJABHDN-UHFFFAOYSA-N -1 0 328.803 2.634 20 30 EFEDRM Cc1cccc(C(=O)N2CCN(Cc3cc(C#N)ccc3[O-])CC2)c1 ZINC001232679626 1312760756 /nfs/dbraw/zinc/76/07/56/1312760756.db2.gz OWTIYICETHOJPQ-UHFFFAOYSA-N -1 0 335.407 2.530 20 30 EFEDRM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000795564316 1290331815 /nfs/dbraw/zinc/33/18/15/1290331815.db2.gz VCNJQALVUNKOLO-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184879864 1290544651 /nfs/dbraw/zinc/54/46/51/1290544651.db2.gz FJRXJFALDVMFCW-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1C#N ZINC001185195777 1290625278 /nfs/dbraw/zinc/62/52/78/1290625278.db2.gz PXAFUAGCOBWQDF-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185351406 1290649159 /nfs/dbraw/zinc/64/91/59/1290649159.db2.gz XFLNMAUDELSYIN-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001186001273 1290806089 /nfs/dbraw/zinc/80/60/89/1290806089.db2.gz PWNGJWLOZXWZGD-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1F ZINC001185999193 1290826467 /nfs/dbraw/zinc/82/64/67/1290826467.db2.gz GSMKDYJALTZKNC-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#Cc1cnc(NC(=O)c2ccc([O-])c(F)c2)c(Br)c1 ZINC001186201918 1290892748 /nfs/dbraw/zinc/89/27/48/1290892748.db2.gz BEOLOBMGKNDULX-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3nsnc3c2)s1 ZINC001186225230 1290902794 /nfs/dbraw/zinc/90/27/94/1290902794.db2.gz HYWVZLMWZOVVPC-UHFFFAOYSA-N -1 0 336.423 2.734 20 30 EFEDRM COCCCn1nccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1C ZINC000876498299 1290932181 /nfs/dbraw/zinc/93/21/81/1290932181.db2.gz UTPITRBZYQSKSY-VOTSOKGWSA-N -1 0 328.368 2.822 20 30 EFEDRM CCCCOC(=O)N[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])C1CC1 ZINC001186298582 1290932195 /nfs/dbraw/zinc/93/21/95/1290932195.db2.gz QTGDSILWLJYOPG-HNNXBMFYSA-N -1 0 349.362 2.646 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C#N ZINC001187044210 1291082075 /nfs/dbraw/zinc/08/20/75/1291082075.db2.gz LTFGOGQDWZQXAI-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM CCN(Cc1ccccc1)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000093242194 1291082394 /nfs/dbraw/zinc/08/23/94/1291082394.db2.gz CCOSLMIACYAJGL-UHFFFAOYSA-N -1 0 332.425 2.977 20 30 EFEDRM CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000093243144 1291082853 /nfs/dbraw/zinc/08/28/53/1291082853.db2.gz CFDKRXIERHRDMM-UHFFFAOYSA-N -1 0 338.360 2.701 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1C#N ZINC001187105823 1291093685 /nfs/dbraw/zinc/09/36/85/1291093685.db2.gz IYALKWLZUFBXEB-UHFFFAOYSA-N -1 0 342.789 2.623 20 30 EFEDRM COc1ccc(OCC(=O)N(O)C(=N)c2ccccc2N)c(Cl)c1 ZINC001187286400 1291138222 /nfs/dbraw/zinc/13/82/22/1291138222.db2.gz MJZBVFHRJGIMBA-UHFFFAOYSA-N -1 0 349.774 2.553 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1-c1ccc(C#N)cn1 ZINC001187382811 1291158420 /nfs/dbraw/zinc/15/84/20/1291158420.db2.gz LZBDPHAZUONZDB-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM C=CCN1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030917 1312836115 /nfs/dbraw/zinc/83/61/15/1312836115.db2.gz SATAIQBPBGLJES-UHFFFAOYSA-N -1 0 329.213 2.597 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1C#N ZINC001187383322 1291167503 /nfs/dbraw/zinc/16/75/03/1291167503.db2.gz QSVWXCJDNCPYPN-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2nccs2)c1 ZINC001187895347 1291255635 /nfs/dbraw/zinc/25/56/35/1291255635.db2.gz ZTKTZEIYPSCTBT-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187969751 1291275303 /nfs/dbraw/zinc/27/53/03/1291275303.db2.gz VFYNYVXLDPAXJE-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cnc(OCCOC)cn1 ZINC001187993318 1291280736 /nfs/dbraw/zinc/28/07/36/1291280736.db2.gz SXELLQGCGVEJMN-UHFFFAOYSA-N -1 0 345.465 2.604 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(C(=O)OCC)no1 ZINC001188001826 1291283484 /nfs/dbraw/zinc/28/34/84/1291283484.db2.gz RKGMMORHKBPMDY-UHFFFAOYSA-N -1 0 332.422 2.954 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccoc1 ZINC001188608230 1291420687 /nfs/dbraw/zinc/42/06/87/1291420687.db2.gz YCKWTVCIKBQFRK-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM O=C(/C=C/NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(F)(F)F ZINC001188587855 1291429291 /nfs/dbraw/zinc/42/92/91/1291429291.db2.gz CBJJPPMNWOWMRF-ONEGZZNKSA-N -1 0 327.180 2.786 20 30 EFEDRM Cc1ccc(C(=NC(=O)c2ccc([O-])c(C(F)(F)F)c2)NO)nc1 ZINC001188588339 1291429907 /nfs/dbraw/zinc/42/99/07/1291429907.db2.gz OBBIMAUYSFTCQU-UHFFFAOYSA-N -1 0 339.273 2.680 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(O)c1 ZINC001189109249 1291571543 /nfs/dbraw/zinc/57/15/43/1291571543.db2.gz WYWLDPPVSWDBJZ-UHFFFAOYSA-N -1 0 336.800 2.902 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c(C#N)c1 ZINC001189075477 1291574059 /nfs/dbraw/zinc/57/40/59/1291574059.db2.gz IVOFAZBPNXHORS-UHFFFAOYSA-N -1 0 335.816 2.900 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1sc(C2CCCCC2)nc1C ZINC000775227169 1291626345 /nfs/dbraw/zinc/62/63/45/1291626345.db2.gz MESKVGKOZWTIOM-CYBMUJFWSA-N -1 0 349.456 2.584 20 30 EFEDRM C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2SC(=O)[N-]C2=O)c1 ZINC001189274826 1291662467 /nfs/dbraw/zinc/66/24/67/1291662467.db2.gz LGYRJSHKOBNZKH-CYBMUJFWSA-N -1 0 333.413 2.563 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c1 ZINC001189614091 1291784432 /nfs/dbraw/zinc/78/44/32/1291784432.db2.gz ZEHQKHWZLHPDLD-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189814984 1291875545 /nfs/dbraw/zinc/87/55/45/1291875545.db2.gz RIPLALWIMYOWKV-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189815297 1291876062 /nfs/dbraw/zinc/87/60/62/1291876062.db2.gz WCGKLVUTPMCZSY-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189823748 1291883023 /nfs/dbraw/zinc/88/30/23/1291883023.db2.gz NJZINQRKWSRBHP-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189826600 1291884197 /nfs/dbraw/zinc/88/41/97/1291884197.db2.gz AXFXUTRNKAXEKI-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#CC1(NC(=O)c2cc(Br)ccc2[S-])CCOCC1 ZINC001189970201 1291935661 /nfs/dbraw/zinc/93/56/61/1291935661.db2.gz VKJZGGGVHDJQHY-UHFFFAOYSA-N -1 0 341.230 2.540 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2ccc([S-])cc2)C[C@H]1C#N ZINC001233261710 1312888656 /nfs/dbraw/zinc/88/86/56/1312888656.db2.gz AKJAJQBJDFIRQF-CQSZACIVSA-N -1 0 333.457 2.920 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c(Cl)c1 ZINC001190134130 1291999575 /nfs/dbraw/zinc/99/95/75/1291999575.db2.gz PQHAKWXTBQNRRM-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ncc(F)cc2F)c1 ZINC001190182503 1292049098 /nfs/dbraw/zinc/04/90/98/1292049098.db2.gz AGQOMCLYCBUWHY-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1 ZINC001190387566 1292142490 /nfs/dbraw/zinc/14/24/90/1292142490.db2.gz HQEDTFVSTVKVHZ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190391109 1292144683 /nfs/dbraw/zinc/14/46/83/1292144683.db2.gz PQMLBXKRKGRCIW-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C#N ZINC001190391178 1292144687 /nfs/dbraw/zinc/14/46/87/1292144687.db2.gz RVNFSRWMYUVHIG-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cc1 ZINC001190431790 1292172682 /nfs/dbraw/zinc/17/26/82/1292172682.db2.gz OQKLVRUPTOHSQS-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203322206 1312907583 /nfs/dbraw/zinc/90/75/83/1312907583.db2.gz WWQCWJLMBGNMLK-UHFFFAOYSA-N -1 0 331.282 2.732 20 30 EFEDRM CC(C)(C)c1nccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190619163 1292227890 /nfs/dbraw/zinc/22/78/90/1292227890.db2.gz AFMNVQCCVVYEGH-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)c1 ZINC001190619554 1292228228 /nfs/dbraw/zinc/22/82/28/1292228228.db2.gz SHNBDQUQCQDOKA-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM Cn1c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc2ccccc21 ZINC001190619428 1292228505 /nfs/dbraw/zinc/22/85/05/1292228505.db2.gz LXGXKXGTHMBAFM-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n(C2CCC2)n1 ZINC001190619229 1292228541 /nfs/dbraw/zinc/22/85/41/1292228541.db2.gz BRIADUQEDIMDBT-UHFFFAOYSA-N -1 0 334.376 2.728 20 30 EFEDRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617331 1292228968 /nfs/dbraw/zinc/22/89/68/1292228968.db2.gz GRHZPNAJBWMUJN-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001190616262 1292229008 /nfs/dbraw/zinc/22/90/08/1292229008.db2.gz NOUXFZDVXSCHLS-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001190616945 1292229204 /nfs/dbraw/zinc/22/92/04/1292229204.db2.gz BFTAECPRBMEVBQ-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM Cc1nc2sccc2c([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190611894 1292248595 /nfs/dbraw/zinc/24/85/95/1292248595.db2.gz WOHPUNQGLXULPX-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C(C)=O)c1 ZINC001190658320 1292250032 /nfs/dbraw/zinc/25/00/32/1292250032.db2.gz SSWSCQYJERSUSP-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)c1 ZINC001190670827 1292254722 /nfs/dbraw/zinc/25/47/22/1292254722.db2.gz NQNXKOCOFQTREZ-UHFFFAOYSA-N -1 0 336.310 2.851 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC001190648199 1292262743 /nfs/dbraw/zinc/26/27/43/1292262743.db2.gz WAMDPQMGQNSFBE-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1C ZINC001190647659 1292263105 /nfs/dbraw/zinc/26/31/05/1292263105.db2.gz FITNMLHYAPZITR-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)c1 ZINC001190647696 1292263404 /nfs/dbraw/zinc/26/34/04/1292263404.db2.gz HCVLDSCZRCCUNN-UHFFFAOYSA-N -1 0 349.368 2.813 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC001190647823 1292263527 /nfs/dbraw/zinc/26/35/27/1292263527.db2.gz CJSAMLUAVMMKNX-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1C ZINC001190647672 1292263803 /nfs/dbraw/zinc/26/38/03/1292263803.db2.gz FYFUZQQSVQCZSQ-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190648193 1292263819 /nfs/dbraw/zinc/26/38/19/1292263819.db2.gz VMLSBMAOLWNFRV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1F ZINC001190650988 1292264385 /nfs/dbraw/zinc/26/43/85/1292264385.db2.gz RCOADHNNMVHHRL-UHFFFAOYSA-N -1 0 338.335 2.784 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)ccc23)c1 ZINC001190651233 1292264823 /nfs/dbraw/zinc/26/48/23/1292264823.db2.gz XQOYRPCLGROQFW-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc12 ZINC001190651159 1292265111 /nfs/dbraw/zinc/26/51/11/1292265111.db2.gz WDVMWRPZVUVPSJ-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650340 1292265431 /nfs/dbraw/zinc/26/54/31/1292265431.db2.gz DQKFOWBPHXWWSX-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655645 1292267766 /nfs/dbraw/zinc/26/77/66/1292267766.db2.gz ISHIPLHUFJZUFO-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655214 1292267912 /nfs/dbraw/zinc/26/79/12/1292267912.db2.gz BELBQCBIWFZEFR-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2CO)c1 ZINC001190655944 1292268196 /nfs/dbraw/zinc/26/81/96/1292268196.db2.gz QOLLLGPAXVCQGL-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM Cc1nc(Cl)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190932580 1292373606 /nfs/dbraw/zinc/37/36/06/1292373606.db2.gz RXRYRLMSGLAHFG-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM COc1nccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937064 1292377521 /nfs/dbraw/zinc/37/75/21/1292377521.db2.gz AQXBVTBWHLHUGB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnc1F ZINC001190937749 1292378281 /nfs/dbraw/zinc/37/82/81/1292378281.db2.gz SZMFUKOLGFEJPA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(Cl)c2O)c1 ZINC001190943047 1292379494 /nfs/dbraw/zinc/37/94/94/1292379494.db2.gz SEHZWBUIDUVLCI-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM Cc1cccc2ncc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)n21 ZINC001190942235 1292379529 /nfs/dbraw/zinc/37/95/29/1292379529.db2.gz AJGRFIYMRPZJFH-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2C2CCC2)c1 ZINC001190943255 1292381467 /nfs/dbraw/zinc/38/14/67/1292381467.db2.gz YEWTYMIEFUDPPE-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCC3)c1 ZINC001190969983 1292404521 /nfs/dbraw/zinc/40/45/21/1292404521.db2.gz WRYIREYEFSNYMY-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM Cn1cc2c(cccc2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190970012 1292405284 /nfs/dbraw/zinc/40/52/84/1292405284.db2.gz WWKSQGLRQTWEMF-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1cc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)ccc2n1 ZINC001190971212 1292405844 /nfs/dbraw/zinc/40/58/44/1292405844.db2.gz BZKRLJHJXWNRHE-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COc1c(O)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190986011 1292413129 /nfs/dbraw/zinc/41/31/29/1292413129.db2.gz KLTHFWRYIHHDGF-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cn1c(Br)ccc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001191612600 1292596072 /nfs/dbraw/zinc/59/60/72/1292596072.db2.gz HNLMQFOMHGOGLN-UHFFFAOYSA-N -1 0 338.136 2.756 20 30 EFEDRM C=C1CC=C(F)C=C1NC(=O)c1nc(Br)ccc1[O-] ZINC001191749368 1292649133 /nfs/dbraw/zinc/64/91/33/1292649133.db2.gz SIGVTBNKRFETSG-UHFFFAOYSA-N -1 0 325.137 2.977 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191866576 1292699291 /nfs/dbraw/zinc/69/92/91/1292699291.db2.gz VWQBJGYYTLKQCN-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191874226 1292703503 /nfs/dbraw/zinc/70/35/03/1292703503.db2.gz GWXDSSGIQKXDSN-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@H]1CCCN(O)C1=O ZINC000880973658 1292705312 /nfs/dbraw/zinc/70/53/12/1292705312.db2.gz GLYKLDGQFFQRNZ-NSHDSACASA-N -1 0 345.321 2.824 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C#N)c1C ZINC001192534139 1292918890 /nfs/dbraw/zinc/91/88/90/1292918890.db2.gz WLSYUNIISXACHV-UHFFFAOYSA-N -1 0 325.777 2.926 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1c(F)ccc(F)c1[O-] ZINC001192721130 1293021621 /nfs/dbraw/zinc/02/16/21/1293021621.db2.gz YRHRDSSRMGCZJH-UHFFFAOYSA-N -1 0 332.306 2.741 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)nc2C)c1 ZINC001192774805 1293032153 /nfs/dbraw/zinc/03/21/53/1293032153.db2.gz FILJIGQWHBLTTE-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2O)c1 ZINC001192816609 1293060540 /nfs/dbraw/zinc/06/05/40/1293060540.db2.gz RVTQLEDNNPFNFC-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)CC#N)c2c1CCC2 ZINC001192928663 1293112203 /nfs/dbraw/zinc/11/22/03/1293112203.db2.gz INZVXZTXUDSHDB-UHFFFAOYSA-N -1 0 343.408 2.936 20 30 EFEDRM Cc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)CC#N ZINC001192982073 1293115732 /nfs/dbraw/zinc/11/57/32/1293115732.db2.gz DQHUZFDSBLRORT-UHFFFAOYSA-N -1 0 329.381 2.513 20 30 EFEDRM COC(=O)c1cccc(Oc2ccccc2[N-]S(=O)(=O)CC#N)c1 ZINC001192972445 1293129349 /nfs/dbraw/zinc/12/93/49/1293129349.db2.gz ZEOZFKREDVKTQP-UHFFFAOYSA-N -1 0 346.364 2.531 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001193058704 1293164972 /nfs/dbraw/zinc/16/49/72/1293164972.db2.gz WFJBOXNKYWHKMR-UHFFFAOYSA-N -1 0 346.408 2.795 20 30 EFEDRM CCOC(=O)c1c2ccccc2sc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193104190 1293170191 /nfs/dbraw/zinc/17/01/91/1293170191.db2.gz GJCSKIOGGMZHIE-VIFPVBQESA-N -1 0 338.410 2.732 20 30 EFEDRM CCOC(=O)c1c([N-]S(=O)(=O)[C@H](C)C#N)scc1C(C)C ZINC001193104059 1293170474 /nfs/dbraw/zinc/17/04/74/1293170474.db2.gz FEXJNAFWBNVAJV-SECBINFHSA-N -1 0 330.431 2.702 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2nc(Br)sc2c1 ZINC001193148653 1293185835 /nfs/dbraw/zinc/18/58/35/1293185835.db2.gz BUJXERABTXUBGW-ZCFIWIBFSA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2cncc(Br)c21 ZINC001193149554 1293187213 /nfs/dbraw/zinc/18/72/13/1293187213.db2.gz PSDJANPVVHYIQZ-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1N(C)C(=O)OC(C)(C)C ZINC001193161927 1293189835 /nfs/dbraw/zinc/18/98/35/1293189835.db2.gz VHNAVEKBYGALPT-LLVKDONJSA-N -1 0 339.417 2.712 20 30 EFEDRM Cc1ccc(NC(=O)OC(C)(C)C)c([N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC001193161305 1293189841 /nfs/dbraw/zinc/18/98/41/1293189841.db2.gz NZRZIWQITDAIPV-LLVKDONJSA-N -1 0 339.417 2.996 20 30 EFEDRM CCC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193160673 1293189889 /nfs/dbraw/zinc/18/98/89/1293189889.db2.gz HGOMQMJMLONDPN-QMMMGPOBSA-N -1 0 345.218 2.696 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193169148 1293192926 /nfs/dbraw/zinc/19/29/26/1293192926.db2.gz VGQYAZIMZVJBBF-XVKPBYJWSA-N -1 0 326.727 2.775 20 30 EFEDRM N#Cc1cc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)ccc1[O-] ZINC001193503758 1293335235 /nfs/dbraw/zinc/33/52/35/1293335235.db2.gz GMECNHUFHIMNOS-CYBMUJFWSA-N -1 0 336.273 2.761 20 30 EFEDRM CN(Cc1ncccc1C(F)(F)F)C(=O)c1ccc([O-])c(C#N)c1 ZINC001193505612 1293335937 /nfs/dbraw/zinc/33/59/37/1293335937.db2.gz GUPDLFALLXGOOR-UHFFFAOYSA-N -1 0 335.285 2.950 20 30 EFEDRM COc1ccc(CN(C)C(=O)c2ccc([O-])c(C#N)c2)c(OC)c1 ZINC001193504823 1293336688 /nfs/dbraw/zinc/33/66/88/1293336688.db2.gz ULQHFIXGJQGNMI-UHFFFAOYSA-N -1 0 326.352 2.553 20 30 EFEDRM COC(=O)[C@@H]1CCc2cc(NC(=O)c3ccc([O-])c(C#N)c3)ccc21 ZINC001193513028 1293341141 /nfs/dbraw/zinc/34/11/41/1293341141.db2.gz XFOJOVHEHQGAIA-MRXNPFEDSA-N -1 0 336.347 2.719 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1[O-] ZINC001193634882 1293377584 /nfs/dbraw/zinc/37/75/84/1293377584.db2.gz KYPVQNIGWPYIKD-VMPITWQZSA-N -1 0 347.418 2.735 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC001193635596 1293377911 /nfs/dbraw/zinc/37/79/11/1293377911.db2.gz BHLFMTFAGHOZKC-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#CC1(NC(=O)c2cc(O)c([O-])c(Cl)c2)Cc2ccccc2C1 ZINC001193635162 1293378765 /nfs/dbraw/zinc/37/87/65/1293378765.db2.gz POYQKVCXJIQLFL-UHFFFAOYSA-N -1 0 328.755 2.542 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC001193636683 1293380382 /nfs/dbraw/zinc/38/03/82/1293380382.db2.gz XKNIENNWCPWFKS-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c1[O-] ZINC001193652698 1293396282 /nfs/dbraw/zinc/39/62/82/1293396282.db2.gz MDGXUFFNJYNRRL-UHFFFAOYSA-N -1 0 333.347 2.634 20 30 EFEDRM COC(=O)c1cc(F)c(NC(=O)c2cccc(C#N)c2[O-])c(C)c1F ZINC001193652995 1293397125 /nfs/dbraw/zinc/39/71/25/1293397125.db2.gz RQMVUIFYCMAZRI-UHFFFAOYSA-N -1 0 346.289 2.889 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc(C3CC3)c2)c1 ZINC001193653477 1293397587 /nfs/dbraw/zinc/39/75/87/1293397587.db2.gz GIDWIGDRSOLWIP-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM COc1cc(OC)c(OC)cc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000026302453 1293400027 /nfs/dbraw/zinc/40/00/27/1293400027.db2.gz BVULYCLEDJSNNJ-GIJQJNRQSA-N -1 0 346.339 2.945 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(F)cccc2OC)c1 ZINC001193681121 1293407991 /nfs/dbraw/zinc/40/79/91/1293407991.db2.gz QXCGWSNKMPRDIW-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)cc1 ZINC001193687437 1293410435 /nfs/dbraw/zinc/41/04/35/1293410435.db2.gz CWVXQNZDPBXDJS-UHFFFAOYSA-N -1 0 344.392 2.960 20 30 EFEDRM Cc1cc(O)cc([O-])c1C(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001193923173 1293486529 /nfs/dbraw/zinc/48/65/29/1293486529.db2.gz YFRVSCIWTKABBE-UHFFFAOYSA-N -1 0 346.346 2.987 20 30 EFEDRM CCC[C@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194039795 1293508870 /nfs/dbraw/zinc/50/88/70/1293508870.db2.gz IPZFGKWBLDCRRG-CYBMUJFWSA-N -1 0 348.783 2.538 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194098243 1293530494 /nfs/dbraw/zinc/53/04/94/1293530494.db2.gz ACTCOURKACTNDA-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM CN(C)S(=O)(=O)c1ccccc1Nc1onc(C(C)(C)C)c1C#N ZINC001194169520 1293542331 /nfs/dbraw/zinc/54/23/31/1293542331.db2.gz RFECXZWZUMZUAG-UHFFFAOYSA-N -1 0 348.428 2.838 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194216257 1293557288 /nfs/dbraw/zinc/55/72/88/1293557288.db2.gz WBJZECKVJQPXJQ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cs1 ZINC001194539964 1293661235 /nfs/dbraw/zinc/66/12/35/1293661235.db2.gz QBYJYZPLSOOIBL-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132449960 1293664671 /nfs/dbraw/zinc/66/46/71/1293664671.db2.gz ISXMFXUNLVVBOW-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132663434 1293693317 /nfs/dbraw/zinc/69/33/17/1293693317.db2.gz MQIOWKHQDSIOLG-QGZVFWFLSA-N -1 0 349.390 2.531 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cccc3nccnc32)c(C#N)c1C ZINC001194943560 1293751113 /nfs/dbraw/zinc/75/11/13/1293751113.db2.gz WVMVCXMBVHJYQV-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194978731 1293764531 /nfs/dbraw/zinc/76/45/31/1293764531.db2.gz KXYASUJDGQGEAN-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194986571 1293768797 /nfs/dbraw/zinc/76/87/97/1293768797.db2.gz UZVXFKHKHMDUBY-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194985556 1293768930 /nfs/dbraw/zinc/76/89/30/1293768930.db2.gz HXCAAUHEQPRIIL-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1cc(F)c(Br)cc1C#N ZINC001195493956 1293942834 /nfs/dbraw/zinc/94/28/34/1293942834.db2.gz FKMSNXCALHALFS-UHFFFAOYSA-N -1 0 346.181 2.903 20 30 EFEDRM N#Cc1ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c(C#N)c1 ZINC001195303614 1293885668 /nfs/dbraw/zinc/88/56/68/1293885668.db2.gz ZXKLZSZZMMNRNR-UHFFFAOYSA-N -1 0 335.216 2.944 20 30 EFEDRM N#Cc1cc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)ccc1O ZINC001195303214 1293885871 /nfs/dbraw/zinc/88/58/71/1293885871.db2.gz UDXCQTCFJQEEDZ-UHFFFAOYSA-N -1 0 326.205 2.778 20 30 EFEDRM Cc1cc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc(C(=O)[O-])c1F ZINC000133593050 1293939824 /nfs/dbraw/zinc/93/98/24/1293939824.db2.gz HTXFKXFNMYSBRC-UHFFFAOYSA-N -1 0 348.355 2.529 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1onc(C(=O)OCC)c1C ZINC000903668788 1313039567 /nfs/dbraw/zinc/03/95/67/1313039567.db2.gz UIOFAJPVNHNROA-UHFFFAOYSA-N -1 0 332.422 2.872 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)cn1 ZINC001195674427 1293986256 /nfs/dbraw/zinc/98/62/56/1293986256.db2.gz HPYJQDKYODQNKZ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCc1cc(C(=O)OC)c(NC(=O)c2ccc(C#N)cc2[O-])s1 ZINC001195733629 1294004917 /nfs/dbraw/zinc/00/49/17/1294004917.db2.gz URFSLSKYLJPREF-UHFFFAOYSA-N -1 0 330.365 2.927 20 30 EFEDRM COC(=O)c1c[nH]c2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc21 ZINC001195759165 1294016071 /nfs/dbraw/zinc/01/60/71/1294016071.db2.gz XOCZGHYFTLNQFF-UHFFFAOYSA-N -1 0 335.319 2.784 20 30 EFEDRM COC(=O)C[C@H](NC(=O)c1ccc(C#N)cc1[O-])C1CCCCC1 ZINC001195768758 1294019262 /nfs/dbraw/zinc/01/92/62/1294019262.db2.gz QHOAUXXFHBGYNO-HNNXBMFYSA-N -1 0 330.384 2.506 20 30 EFEDRM Cc1ccc([C@]2(C)CN(C(=O)c3ccc(C#N)cc3[O-])CCO2)cc1 ZINC001195741229 1294025161 /nfs/dbraw/zinc/02/51/61/1294025161.db2.gz JPNSEDKKAOCJLE-FQEVSTJZSA-N -1 0 336.391 2.960 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c([O-])c1 ZINC001195741794 1294025776 /nfs/dbraw/zinc/02/57/76/1294025776.db2.gz ZPJUEFDPTHWJBS-UHFFFAOYSA-N -1 0 332.241 2.802 20 30 EFEDRM N#Cc1ccc(C(=O)N2Cc3cc(Br)cnc3C2)c([O-])c1 ZINC001195741872 1294025817 /nfs/dbraw/zinc/02/58/17/1294025817.db2.gz RJSYEQMXYBNMDL-UHFFFAOYSA-N -1 0 344.168 2.577 20 30 EFEDRM CN(Cc1ncccc1C(F)(F)F)C(=O)c1ccc(C#N)cc1[O-] ZINC001195741524 1294026039 /nfs/dbraw/zinc/02/60/39/1294026039.db2.gz VAHLTNYHSYZXHN-UHFFFAOYSA-N -1 0 335.285 2.950 20 30 EFEDRM C#CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196099172 1294132176 /nfs/dbraw/zinc/13/21/76/1294132176.db2.gz DZCKCTUBCLHRQO-UHFFFAOYSA-N -1 0 343.404 2.742 20 30 EFEDRM C=CCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196105538 1294134627 /nfs/dbraw/zinc/13/46/27/1294134627.db2.gz JNGBQEBXZSIBAF-UHFFFAOYSA-N -1 0 331.393 2.906 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196250656 1294171782 /nfs/dbraw/zinc/17/17/82/1294171782.db2.gz MIVGJORGBGOXTL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3c[nH]ccc3=O)c2)c1 ZINC001196309275 1294186073 /nfs/dbraw/zinc/18/60/73/1294186073.db2.gz SXAOHIAXWHREDX-UHFFFAOYSA-N -1 0 331.331 2.871 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C(=O)[O-])ccc2F)C1=O ZINC001273718926 1294206611 /nfs/dbraw/zinc/20/66/11/1294206611.db2.gz KDSVOOLWKMRKKO-IBGZPJMESA-N -1 0 346.402 2.667 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c(F)c1 ZINC001196353539 1294208646 /nfs/dbraw/zinc/20/86/46/1294208646.db2.gz VSQAGVXXBRPRPC-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c(F)c1 ZINC001196354254 1294209966 /nfs/dbraw/zinc/20/99/66/1294209966.db2.gz PZJKNPWWBATTFG-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC2 ZINC001196680351 1294313951 /nfs/dbraw/zinc/31/39/51/1294313951.db2.gz JJQVAEJOZNRZAI-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM Cn1cc2c(cccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196679948 1294314310 /nfs/dbraw/zinc/31/43/10/1294314310.db2.gz RTNHVZVKEUNJEI-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1C#N ZINC001196679736 1294314365 /nfs/dbraw/zinc/31/43/65/1294314365.db2.gz IPGMGHMXBZGAFC-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC001196680712 1294315591 /nfs/dbraw/zinc/31/55/91/1294315591.db2.gz ZSLKISFRRHQITP-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM COc1cncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C ZINC001196647433 1294316769 /nfs/dbraw/zinc/31/67/69/1294316769.db2.gz APOCSWPNOCNJHV-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1nccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648493 1294318293 /nfs/dbraw/zinc/31/82/93/1294318293.db2.gz UYKONUOWNYABTJ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650744 1294319153 /nfs/dbraw/zinc/31/91/53/1294319153.db2.gz YOAYGDLGXXAOBI-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196650221 1294319386 /nfs/dbraw/zinc/31/93/86/1294319386.db2.gz JIZXWTOFSMUNMS-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)nc(F)c1 ZINC001196650718 1294319419 /nfs/dbraw/zinc/31/94/19/1294319419.db2.gz XLJVGANIZROZCX-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196652019 1294320563 /nfs/dbraw/zinc/32/05/63/1294320563.db2.gz PAUBGECMGPSYAJ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000102596220 1294324627 /nfs/dbraw/zinc/32/46/27/1294324627.db2.gz SAEFXGFLDDVHGO-INIZCTEOSA-N -1 0 336.395 2.562 20 30 EFEDRM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)C(F)(F)F ZINC001196708150 1294338432 /nfs/dbraw/zinc/33/84/32/1294338432.db2.gz ZIGFYYUYKHXOOI-SNVBAGLBSA-N -1 0 326.727 2.831 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(O)c1 ZINC001196690575 1294346281 /nfs/dbraw/zinc/34/62/81/1294346281.db2.gz UFYDBKAIPGZTNJ-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM COc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196689988 1294346305 /nfs/dbraw/zinc/34/63/05/1294346305.db2.gz GJUKSKDIJYBWRM-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2cncnc2c1 ZINC001196690019 1294346791 /nfs/dbraw/zinc/34/67/91/1294346791.db2.gz HWRYNAFUYCRRDH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CO)c(F)c1 ZINC001196690117 1294347448 /nfs/dbraw/zinc/34/74/48/1294347448.db2.gz GYAVDLGSKPSQPZ-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c1 ZINC001196762223 1294349357 /nfs/dbraw/zinc/34/93/57/1294349357.db2.gz UHSAKFXJTHIYHJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)cccc2OC)c1 ZINC001196762677 1294350894 /nfs/dbraw/zinc/35/08/94/1294350894.db2.gz DVWTVGDKWCCUDP-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1nc(C(F)(F)F)c(C(=O)[N-]c2onc(C)c2C#N)s1 ZINC001196828877 1294376186 /nfs/dbraw/zinc/37/61/86/1294376186.db2.gz RSRXAAMLRIGISV-UHFFFAOYSA-N -1 0 332.263 2.591 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2snc(C)c2C#N)c(C)c1 ZINC001196842752 1294381080 /nfs/dbraw/zinc/38/10/80/1294381080.db2.gz GIOVAUPNELTSEO-UHFFFAOYSA-N -1 0 337.426 2.749 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)s1 ZINC001197008525 1294435574 /nfs/dbraw/zinc/43/55/74/1294435574.db2.gz JCJFPLRUSJQBSY-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)c1 ZINC001197029956 1294444671 /nfs/dbraw/zinc/44/46/71/1294444671.db2.gz TVPOKQSYBITNHA-UHFFFAOYSA-N -1 0 329.377 2.564 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C#N ZINC001197029819 1294444956 /nfs/dbraw/zinc/44/49/56/1294444956.db2.gz PYZDDUPHMMIDOA-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)c1 ZINC001197385886 1294523255 /nfs/dbraw/zinc/52/32/55/1294523255.db2.gz QUFCWOPWCOAKTK-UHFFFAOYSA-N -1 0 344.392 2.711 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796371756 1294576984 /nfs/dbraw/zinc/57/69/84/1294576984.db2.gz TVPRFLNOPKRNRZ-ZJUUUORDSA-N -1 0 328.340 2.606 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC001197556160 1294609860 /nfs/dbraw/zinc/60/98/60/1294609860.db2.gz GTDODNUHTMUEMW-UHFFFAOYSA-N -1 0 329.353 2.543 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(C#N)c1C ZINC001197566333 1294613203 /nfs/dbraw/zinc/61/32/03/1294613203.db2.gz FRSCCWVZSIPVET-UHFFFAOYSA-N -1 0 326.324 2.988 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197649883 1294645831 /nfs/dbraw/zinc/64/58/31/1294645831.db2.gz VOCKHIWQSSEGFP-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM COC(=O)c1ccc([O-])c(NC(=S)Nc2cccc(C#N)c2)c1 ZINC001197712429 1294685118 /nfs/dbraw/zinc/68/51/18/1294685118.db2.gz KOYFJQJSIQFIMQ-UHFFFAOYSA-N -1 0 327.365 2.859 20 30 EFEDRM Cc1ncnn1-c1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001197748958 1294705583 /nfs/dbraw/zinc/70/55/83/1294705583.db2.gz CDTWMCKSRRUPNQ-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccn2)c(C(F)(F)F)c1 ZINC001197821280 1294751650 /nfs/dbraw/zinc/75/16/50/1294751650.db2.gz QHDHPTWDQWUYBL-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM C=C(C)[C@H]1CC=C(C)[C@H](OC2=C([O-])C(C(=O)OC)N=C2C(=O)OC)C1 ZINC001234349330 1313110421 /nfs/dbraw/zinc/11/04/21/1313110421.db2.gz CJNUTKLPSIVBRK-NWDGAFQWSA-N -1 0 349.383 2.973 20 30 EFEDRM C=CC[C@@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)c1ccccc1 ZINC001234355200 1313111542 /nfs/dbraw/zinc/11/15/42/1313111542.db2.gz MOKQQFVGXWZQCL-GFCCVEGCSA-N -1 0 345.351 2.990 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198148520 1294911723 /nfs/dbraw/zinc/91/17/23/1294911723.db2.gz OWLAHUKEPUKWBE-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C[C@@](O)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000304121219 1294927831 /nfs/dbraw/zinc/92/78/31/1294927831.db2.gz QUEQMACBSAXLRZ-UIRAKXSFSA-N -1 0 336.294 2.905 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000069677287 1295002721 /nfs/dbraw/zinc/00/27/21/1295002721.db2.gz CDRXDEOIHCOERI-UHFFFAOYSA-N -1 0 331.397 2.873 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC001198693222 1295180245 /nfs/dbraw/zinc/18/02/45/1295180245.db2.gz NMBGIITXTKQFBX-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1C#N ZINC001198693643 1295180290 /nfs/dbraw/zinc/18/02/90/1295180290.db2.gz TWCVEQCZRZTZND-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC001198693512 1295180459 /nfs/dbraw/zinc/18/04/59/1295180459.db2.gz PZQQKGZPAZDAIL-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)c(C#N)c1 ZINC001198693924 1295180631 /nfs/dbraw/zinc/18/06/31/1295180631.db2.gz WDLVJBSIQGHQEZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC000886910520 1295207366 /nfs/dbraw/zinc/20/73/66/1295207366.db2.gz RXIXCKZDSSDBOG-GXTWGEPZSA-N -1 0 338.367 2.688 20 30 EFEDRM N#Cc1cc(Cl)cc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198783259 1295228884 /nfs/dbraw/zinc/22/88/84/1295228884.db2.gz YGSUVGVXSHFGHC-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198778231 1295249592 /nfs/dbraw/zinc/24/95/92/1295249592.db2.gz CTBNUQDCXKRFQR-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(OCC3CCC3)ncn2)c([O-])cc1F ZINC001198812286 1295271882 /nfs/dbraw/zinc/27/18/82/1295271882.db2.gz MNTSTHQYSCJLJU-UHFFFAOYSA-N -1 0 342.330 2.624 20 30 EFEDRM CC(C)CCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234512791 1313142326 /nfs/dbraw/zinc/14/23/26/1313142326.db2.gz DYAPNIJNCPTCMW-LLVKDONJSA-N -1 0 329.356 2.564 20 30 EFEDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234515808 1313142877 /nfs/dbraw/zinc/14/28/77/1313142877.db2.gz NNOHJFQOHIJQNB-JTQLQIEISA-N -1 0 329.356 2.706 20 30 EFEDRM CCC[C@H](CC(=O)OCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234529077 1313147010 /nfs/dbraw/zinc/14/70/10/1313147010.db2.gz BOATVILIGXIWCT-GFCCVEGCSA-N -1 0 329.356 2.708 20 30 EFEDRM NC(=O)c1cc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)no1 ZINC001234591140 1313163754 /nfs/dbraw/zinc/16/37/54/1313163754.db2.gz ROOAETKWDKUJBU-XUMLYMLNSA-N -1 0 337.335 2.772 20 30 EFEDRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnc(C#N)cn1 ZINC001199661854 1295661601 /nfs/dbraw/zinc/66/16/01/1295661601.db2.gz LBYMBJDJLDWNSD-UHFFFAOYSA-N -1 0 331.426 2.748 20 30 EFEDRM O=C(CCc1nc(-c2ccc(C3OCCO3)cc2)no1)C1=CC=C[CH]1 ZINC001204656263 1313178032 /nfs/dbraw/zinc/17/80/32/1313178032.db2.gz HLBFQDDKMZEVPC-UHFFFAOYSA-N -1 0 337.355 2.984 20 30 EFEDRM C=CCSc1ncccc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001199735416 1295739649 /nfs/dbraw/zinc/73/96/49/1295739649.db2.gz CQBSESAVJVZVNU-UHFFFAOYSA-N -1 0 329.307 2.749 20 30 EFEDRM O=C(CCc1nc(-c2ccc(-n3cccn3)nc2)no1)C1=CC=C[CH]1 ZINC001204656806 1313178158 /nfs/dbraw/zinc/17/81/58/1313178158.db2.gz SRFSRDOFUOYGJM-UHFFFAOYSA-N -1 0 332.343 2.519 20 30 EFEDRM C#C[C@H](C)Oc1cc2c(cc1O)oc1cc(O)cc(OC)c1c2=O ZINC001234799797 1313193225 /nfs/dbraw/zinc/19/32/25/1313193225.db2.gz UYTXFOHYMIVSPU-VIFPVBQESA-N -1 0 326.304 2.767 20 30 EFEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000777326111 1296001554 /nfs/dbraw/zinc/00/15/54/1296001554.db2.gz VACQLAVQYOETRM-UHFFFAOYSA-N -1 0 339.360 2.587 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc2ccc(F)cc21 ZINC001234964479 1313213274 /nfs/dbraw/zinc/21/32/74/1313213274.db2.gz ZYFVHYRFRFSTNK-AWEZNQCLSA-N -1 0 340.372 2.817 20 30 EFEDRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776137292 1296588509 /nfs/dbraw/zinc/58/85/09/1296588509.db2.gz CTCNSPGKNIYZFP-UHFFFAOYSA-N -1 0 334.397 2.659 20 30 EFEDRM CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000776139046 1296629641 /nfs/dbraw/zinc/62/96/41/1296629641.db2.gz OGLKBMUZEGDJHA-OAHLLOKOSA-N -1 0 336.457 2.812 20 30 EFEDRM CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776142226 1296648479 /nfs/dbraw/zinc/64/84/79/1296648479.db2.gz BGDQTPKHSVOISD-UHFFFAOYSA-N -1 0 340.470 2.796 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000776141970 1296648528 /nfs/dbraw/zinc/64/85/28/1296648528.db2.gz DCTXYFCEEJJUOF-UHFFFAOYSA-N -1 0 349.239 2.532 20 30 EFEDRM CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142000 1296649678 /nfs/dbraw/zinc/64/96/78/1296649678.db2.gz FMLAVNWZEDLPJF-UHFFFAOYSA-N -1 0 336.457 2.738 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000776143602 1296649883 /nfs/dbraw/zinc/64/98/83/1296649883.db2.gz IPYFJNMYTMEQBW-BFHYXJOUSA-N -1 0 326.462 2.589 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)sc1C ZINC000776144484 1296652339 /nfs/dbraw/zinc/65/23/39/1296652339.db2.gz PPBSPNZODBJFQW-UHFFFAOYSA-N -1 0 328.459 2.618 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000776143625 1296652367 /nfs/dbraw/zinc/65/23/67/1296652367.db2.gz IXTGWLWNTJWWCO-UHFFFAOYSA-N -1 0 348.380 2.681 20 30 EFEDRM N#CCCN(CCC#N)Cc1cc(F)cc(Br)c1[O-] ZINC001235304771 1313286285 /nfs/dbraw/zinc/28/62/85/1313286285.db2.gz ASPZLXPWUXWWPD-UHFFFAOYSA-N -1 0 326.169 2.923 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n(C2CCC2)n1 ZINC001201295357 1296708794 /nfs/dbraw/zinc/70/87/94/1296708794.db2.gz PHPLVKJXRZQGPW-UHFFFAOYSA-N -1 0 330.413 2.897 20 30 EFEDRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295432 1296708958 /nfs/dbraw/zinc/70/89/58/1296708958.db2.gz RTEWJLWRRCFBHB-UHFFFAOYSA-N -1 0 330.413 2.897 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)cc1C#N ZINC001201295030 1296709261 /nfs/dbraw/zinc/70/92/61/1296709261.db2.gz KQRRKKMIGNGNRP-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n(CC2CCC2)n1 ZINC001201295695 1296710391 /nfs/dbraw/zinc/71/03/91/1296710391.db2.gz ZIEWRNHDEACVIB-UHFFFAOYSA-N -1 0 344.440 2.973 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)n2)cc1C#N ZINC001201297236 1296711011 /nfs/dbraw/zinc/71/10/11/1296711011.db2.gz YCZOLQZCJPJRAR-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM Cc1nc2c([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cccn2c1C ZINC001201296100 1296711225 /nfs/dbraw/zinc/71/12/25/1296711225.db2.gz BAWPMGBFYGJFBH-UHFFFAOYSA-N -1 0 340.408 2.932 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)cc1C#N ZINC001201295647 1296711256 /nfs/dbraw/zinc/71/12/56/1296711256.db2.gz WRQBPJAOFHPJQY-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C#N)c1 ZINC001201315670 1296722437 /nfs/dbraw/zinc/72/24/37/1296722437.db2.gz IBVCGOPWDYPTSA-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316951 1296723236 /nfs/dbraw/zinc/72/32/36/1296723236.db2.gz JIDWRQIFRZMDLH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)ccc1[S-] ZINC001201322380 1296728228 /nfs/dbraw/zinc/72/82/28/1296728228.db2.gz KOWICWJFYLWZJB-UHFFFAOYSA-N -1 0 334.422 2.965 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(Cl)c(Br)c2)[n-]c1=O ZINC000776179169 1296784550 /nfs/dbraw/zinc/78/45/50/1296784550.db2.gz NQVQQBNSKBLYLR-UHFFFAOYSA-N -1 0 342.584 2.748 20 30 EFEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC001201858233 1297107071 /nfs/dbraw/zinc/10/70/71/1297107071.db2.gz ZDTBVGSRAUHKSU-UHFFFAOYSA-N -1 0 332.381 2.702 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-]c1onc(C)c1C(N)=O ZINC001201833730 1297118556 /nfs/dbraw/zinc/11/85/56/1297118556.db2.gz BYECLBOWDMYZGR-UHFFFAOYSA-N -1 0 345.465 2.964 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)NC(C(=O)OCC)=C(C)O ZINC001201837962 1297122443 /nfs/dbraw/zinc/12/24/43/1297122443.db2.gz CHQZYGXRGUYMMF-OAHLLOKOSA-N -1 0 349.493 2.567 20 30 EFEDRM C=CCC[C@H](NC(=O)N(C)[C@H](COCC)C(=O)[O-])c1ccccc1 ZINC000929044330 1297153743 /nfs/dbraw/zinc/15/37/43/1297153743.db2.gz LQHDVINMLQGQST-JKSUJKDBSA-N -1 0 334.416 2.825 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@](CC)(COC)C(=O)[O-])c1ccccc1 ZINC000929044949 1297153779 /nfs/dbraw/zinc/15/37/79/1297153779.db2.gz PSKZSQQDFUOBQM-MAUKXSAKSA-N -1 0 334.416 2.873 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](COC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000929044480 1297154230 /nfs/dbraw/zinc/15/42/30/1297154230.db2.gz HPZGISMXFALIPU-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](COC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000929044482 1297154527 /nfs/dbraw/zinc/15/45/27/1297154527.db2.gz HPZGISMXFALIPU-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(C(=O)[O-])cc1 ZINC001236056753 1313435632 /nfs/dbraw/zinc/43/56/32/1313435632.db2.gz LQLVHILYOCBBNL-ZDUSSCGKSA-N -1 0 347.330 2.775 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779312778 1298197905 /nfs/dbraw/zinc/19/79/05/1298197905.db2.gz GCPOLDSUVPUGDG-OAHLLOKOSA-N -1 0 334.441 2.710 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCc3ccccc32)CCCC1 ZINC000779320697 1298203721 /nfs/dbraw/zinc/20/37/21/1298203721.db2.gz AKAYBRZXIQJRET-MRXNPFEDSA-N -1 0 346.452 2.636 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000191275916 1298250625 /nfs/dbraw/zinc/25/06/25/1298250625.db2.gz AIWCFODDOMWGEP-UHFFFAOYSA-N -1 0 348.399 2.515 20 30 EFEDRM COC(=O)NCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000107875179 1298338787 /nfs/dbraw/zinc/33/87/87/1298338787.db2.gz JKXZFVWNUCKJLD-ZDUSSCGKSA-N -1 0 341.367 2.504 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2ccccc12 ZINC000193351657 1298430209 /nfs/dbraw/zinc/43/02/09/1298430209.db2.gz MKPUGOFYJYVPHF-ZDUSSCGKSA-N -1 0 330.409 2.767 20 30 EFEDRM Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000193805793 1298496846 /nfs/dbraw/zinc/49/68/46/1298496846.db2.gz JMBYGYSBBVSVCY-CQSZACIVSA-N -1 0 336.819 2.902 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000108624769 1298759917 /nfs/dbraw/zinc/75/99/17/1298759917.db2.gz ZAEFJMBRFNLHKE-LBPRGKRZSA-N -1 0 329.381 2.784 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000779844894 1298951862 /nfs/dbraw/zinc/95/18/62/1298951862.db2.gz LPRWUCYRGSJTMF-NSHDSACASA-N -1 0 342.380 2.655 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000779848419 1298961448 /nfs/dbraw/zinc/96/14/48/1298961448.db2.gz NGRVWKRTFPGSPY-LBPRGKRZSA-N -1 0 344.392 2.808 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)NC(=O)C1CCCCC1 ZINC000086054638 1299254587 /nfs/dbraw/zinc/25/45/87/1299254587.db2.gz DEBLGUJUHUNIJS-GFCCVEGCSA-N -1 0 344.477 2.690 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cnc(-c2ccco2)s1 ZINC000086054478 1299254733 /nfs/dbraw/zinc/25/47/33/1299254733.db2.gz KNPKQYSUGPVPKK-UHFFFAOYSA-N -1 0 326.399 2.980 20 30 EFEDRM Cc1nn(C(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054661 1299254833 /nfs/dbraw/zinc/25/48/33/1299254833.db2.gz ZZNZLOBDDWJUOK-UHFFFAOYSA-N -1 0 335.376 2.666 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCC1)NC(=O)C1CCCCC1 ZINC000086054637 1299255543 /nfs/dbraw/zinc/25/55/43/1299255543.db2.gz DEBLGUJUHUNIJS-LBPRGKRZSA-N -1 0 344.477 2.690 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCCC2)cnn1-c1ccccc1 ZINC000086055943 1299256419 /nfs/dbraw/zinc/25/64/19/1299256419.db2.gz BWIHXNQNTCUBHT-UHFFFAOYSA-N -1 0 333.413 2.758 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000086054901 1299257169 /nfs/dbraw/zinc/25/71/69/1299257169.db2.gz DJBXBQYDQICVNL-UHFFFAOYSA-N -1 0 337.376 2.588 20 30 EFEDRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1F)C(F)(F)F ZINC001252355119 1299312872 /nfs/dbraw/zinc/31/28/72/1299312872.db2.gz LLQOXIYPQFKZJW-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776516907 1299335292 /nfs/dbraw/zinc/33/52/92/1299335292.db2.gz OHGLJVPMNZYOAP-LLVKDONJSA-N -1 0 329.743 2.596 20 30 EFEDRM C[C@@H]1CCN(Cc2cccc(F)c2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756586 1299869095 /nfs/dbraw/zinc/86/90/95/1299869095.db2.gz OSKMTZAASVZACO-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)cc1 ZINC000088800648 1300632169 /nfs/dbraw/zinc/63/21/69/1300632169.db2.gz NVDSSUGFRPKBTN-UHFFFAOYSA-N -1 0 341.335 2.861 20 30 EFEDRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000088800641 1300632233 /nfs/dbraw/zinc/63/22/33/1300632233.db2.gz BMGQGRYKBISXNK-UHFFFAOYSA-N -1 0 346.836 2.634 20 30 EFEDRM C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F ZINC000854853123 1300713733 /nfs/dbraw/zinc/71/37/33/1300713733.db2.gz XOOCKTKSWMMVFQ-ZDUSSCGKSA-N -1 0 342.342 2.764 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC000855026973 1300767537 /nfs/dbraw/zinc/76/75/37/1300767537.db2.gz VCSSCSJIIGJNLU-UHFFFAOYSA-N -1 0 338.408 2.589 20 30 EFEDRM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)c(O)c1 ZINC000254851672 1300781044 /nfs/dbraw/zinc/78/10/44/1300781044.db2.gz RCZJDTUWVQQDEK-UHFFFAOYSA-N -1 0 342.380 2.910 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C)s1 ZINC000089490485 1300821958 /nfs/dbraw/zinc/82/19/58/1300821958.db2.gz SSQNEOJMRLOOEX-UHFFFAOYSA-N -1 0 327.431 2.836 20 30 EFEDRM C#CCN1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000089784075 1300876147 /nfs/dbraw/zinc/87/61/47/1300876147.db2.gz LYVQDWVLYKVWPJ-UHFFFAOYSA-N -1 0 328.799 2.590 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCc2cccnc2)c1 ZINC000113653413 1301108050 /nfs/dbraw/zinc/10/80/50/1301108050.db2.gz SZYXPFNXLOTMPI-KRWDZBQOSA-N -1 0 337.379 2.508 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@]3(C)CC3(C)C)cc2[n-]c1=S ZINC000856134420 1301248703 /nfs/dbraw/zinc/24/87/03/1301248703.db2.gz MNRBKXWWKMTUIO-SFHVURJKSA-N -1 0 343.452 2.790 20 30 EFEDRM Cc1cnccc1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000859477949 1301471650 /nfs/dbraw/zinc/47/16/50/1301471650.db2.gz OTLAKSIJGVMABZ-UHFFFAOYSA-N -1 0 325.368 2.655 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cnc1Cl ZINC000117229575 1301715426 /nfs/dbraw/zinc/71/54/26/1301715426.db2.gz OPOZODIBZALGSF-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000860656706 1301871143 /nfs/dbraw/zinc/87/11/43/1301871143.db2.gz OWCJKWRIZGBFAJ-ZDUSSCGKSA-N -1 0 338.429 2.693 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000860860052 1301945986 /nfs/dbraw/zinc/94/59/86/1301945986.db2.gz YTKCSWGNBGBOBG-UHFFFAOYSA-N -1 0 328.821 2.783 20 30 EFEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861012426 1301988741 /nfs/dbraw/zinc/98/87/41/1301988741.db2.gz AMGSYUWCCMAWQN-ZDUSSCGKSA-N -1 0 340.420 2.860 20 30 EFEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013066 1301990624 /nfs/dbraw/zinc/99/06/24/1301990624.db2.gz CNFIDTVCMZWFPL-LBPRGKRZSA-N -1 0 340.420 2.716 20 30 EFEDRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014079 1301990711 /nfs/dbraw/zinc/99/07/11/1301990711.db2.gz WQZILKCFSVWBFM-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862132220 1302292686 /nfs/dbraw/zinc/29/26/86/1302292686.db2.gz BBJAWHULVQAHNF-UKRRQHHQSA-N -1 0 334.416 2.950 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCC(F)(F)C(F)(F)F)cc1)C(=O)[O-] ZINC000863183122 1302549996 /nfs/dbraw/zinc/54/99/96/1302549996.db2.gz MAGNHLKEZPHSPD-QMMMGPOBSA-N -1 0 340.248 2.660 20 30 EFEDRM CC(=NNCC(F)(F)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000863181740 1302550069 /nfs/dbraw/zinc/55/00/69/1302550069.db2.gz VWINCEDOPLSKOT-UHFFFAOYSA-N -1 0 327.209 2.812 20 30 EFEDRM O=C([N-]CCC1=NNC(=Nc2ccccc2F)SC1)C(F)(F)F ZINC000864344347 1302893197 /nfs/dbraw/zinc/89/31/97/1302893197.db2.gz RNCYKGJVBSQUAA-UHFFFAOYSA-N -1 0 348.325 2.574 20 30 EFEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000091125549 1303027917 /nfs/dbraw/zinc/02/79/17/1303027917.db2.gz WLRMQTHIWUDRED-UHFFFAOYSA-N -1 0 348.405 2.638 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C)o1 ZINC000091125699 1303028013 /nfs/dbraw/zinc/02/80/13/1303028013.db2.gz HXYPKKMCCWCUCS-UHFFFAOYSA-N -1 0 335.381 2.915 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CSc2ccc3c(c2)OCCO3)c1 ZINC000748411347 1313912794 /nfs/dbraw/zinc/91/27/94/1313912794.db2.gz ZPVUOWSVKBLEGY-UHFFFAOYSA-N -1 0 342.376 2.766 20 30 EFEDRM COC(=O)c1cccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794929491 1303699919 /nfs/dbraw/zinc/69/99/19/1303699919.db2.gz SNWNXQGJPISIFH-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM COC(=O)c1cccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794929490 1303700456 /nfs/dbraw/zinc/70/04/56/1303700456.db2.gz SNWNXQGJPISIFH-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121612709 1303816170 /nfs/dbraw/zinc/81/61/70/1303816170.db2.gz UWUXOIUYRNIVQA-CQSZACIVSA-N -1 0 325.368 2.970 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCc2ccccc2N(C)C)cc1)C(=O)[O-] ZINC000794953147 1303822201 /nfs/dbraw/zinc/82/22/01/1303822201.db2.gz XYNVZWFFQXSWMB-AWEZNQCLSA-N -1 0 341.411 2.728 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1cc(C)ccc1C ZINC000121998026 1304098611 /nfs/dbraw/zinc/09/86/11/1304098611.db2.gz NPYRSXQVQCTOQG-OAHLLOKOSA-N -1 0 338.411 2.645 20 30 EFEDRM O=C1Nc2cccc(Br)c2C1=N[N-]c1ncccc1F ZINC000794993121 1304179254 /nfs/dbraw/zinc/17/92/54/1304179254.db2.gz IXRGOKUJZIACSG-UHFFFAOYSA-N -1 0 335.136 2.752 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000122495562 1304686771 /nfs/dbraw/zinc/68/67/71/1304686771.db2.gz OLZXVCNXKJJTJD-ZDUSSCGKSA-N -1 0 340.770 2.620 20 30 EFEDRM COc1cccc([C@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122507152 1304692081 /nfs/dbraw/zinc/69/20/81/1304692081.db2.gz ISVULZIUNOQYEU-IUODEOHRSA-N -1 0 325.368 2.514 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000122578065 1304774315 /nfs/dbraw/zinc/77/43/15/1304774315.db2.gz BSKWKSSMAKITSE-ZDUSSCGKSA-N -1 0 343.770 2.628 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000122698280 1304899139 /nfs/dbraw/zinc/89/91/39/1304899139.db2.gz LNIBBRWGCLSAEK-CQSZACIVSA-N -1 0 348.362 2.599 20 30 EFEDRM C[C@@H](CCc1ccccc1F)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122746422 1304945118 /nfs/dbraw/zinc/94/51/18/1304945118.db2.gz BOCRSWPPGLIFLF-GXTWGEPZSA-N -1 0 327.359 2.720 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000122806838 1305014953 /nfs/dbraw/zinc/01/49/53/1305014953.db2.gz RZCRLBDNUVPBJF-SECBINFHSA-N -1 0 342.405 2.810 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(SC(F)F)cc1 ZINC000122824023 1305020660 /nfs/dbraw/zinc/02/06/60/1305020660.db2.gz OMNSJBGWXTWPHQ-LLVKDONJSA-N -1 0 335.335 2.940 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1F ZINC000870134247 1305160272 /nfs/dbraw/zinc/16/02/72/1305160272.db2.gz LMJXYGWMOBANJQ-JTQLQIEISA-N -1 0 347.173 2.608 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)cn1 ZINC000870141589 1305165011 /nfs/dbraw/zinc/16/50/11/1305165011.db2.gz AGJFAOIITKTYFE-MRXNPFEDSA-N -1 0 337.379 2.508 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCc2ccc(F)cc2)CC1 ZINC000870370027 1305288274 /nfs/dbraw/zinc/28/82/74/1305288274.db2.gz QSDOQIJPKCCDOH-CYBMUJFWSA-N -1 0 339.432 2.949 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000123085568 1305290217 /nfs/dbraw/zinc/29/02/17/1305290217.db2.gz QXVNWXIHHFEOAW-ZDUSSCGKSA-N -1 0 347.827 2.898 20 30 EFEDRM CCSCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123173740 1305379493 /nfs/dbraw/zinc/37/94/93/1305379493.db2.gz YYYSEJMVOUGJHZ-AWEZNQCLSA-N -1 0 327.409 2.879 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(C(=O)[O-])c(OC)c1 ZINC001240740056 1314064794 /nfs/dbraw/zinc/06/47/94/1314064794.db2.gz IGZTTYMBSORLDI-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(C(=O)[O-])c(OC)c2)c(C#N)c1 ZINC001240742335 1314065182 /nfs/dbraw/zinc/06/51/82/1314065182.db2.gz AIIWTSYBOFGUKU-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM COc1cc(C#N)cc(-c2ccc(CC(=O)[O-])cc2)c1OC(C)=O ZINC001240973485 1314088610 /nfs/dbraw/zinc/08/86/10/1314088610.db2.gz JAGGUSCWDBBHBK-UHFFFAOYSA-N -1 0 325.320 2.786 20 30 EFEDRM COc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2)c1OC(C)=O ZINC001241184435 1314100674 /nfs/dbraw/zinc/10/06/74/1314100674.db2.gz BCJCMHFYOKVENU-UHFFFAOYSA-N -1 0 329.283 2.996 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000796620986 1306925345 /nfs/dbraw/zinc/92/53/45/1306925345.db2.gz XZKVJTJNCJMSQB-UHFFFAOYSA-N -1 0 346.383 2.746 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(OC)c(C(=O)[O-])c2)c(C#N)c1 ZINC001241868870 1314158124 /nfs/dbraw/zinc/15/81/24/1314158124.db2.gz QSLVSVISEVJECW-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc(C(=O)[O-])cc(F)c1C ZINC001242208270 1314192164 /nfs/dbraw/zinc/19/21/64/1314192164.db2.gz HGAZGXPSFNFEBU-DNTJNYDQSA-N -1 0 348.330 2.994 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2ccc(C(=O)[O-])nc2)n1 ZINC001242334440 1314199680 /nfs/dbraw/zinc/19/96/80/1314199680.db2.gz MHQLJOYYFSBONA-GFCCVEGCSA-N -1 0 339.351 2.791 20 30 EFEDRM COc1cc2cc(C#N)c(-c3ccc(C(=O)[O-])nc3)nc2cc1OC ZINC001242333728 1314199750 /nfs/dbraw/zinc/19/97/50/1314199750.db2.gz MEHAZGJUCXLTTB-UHFFFAOYSA-N -1 0 335.319 2.884 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000800279177 1307648136 /nfs/dbraw/zinc/64/81/36/1307648136.db2.gz FFJWJMKIGHIMLG-MNOVXSKESA-N -1 0 342.367 2.997 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cccc(F)c1[O-] ZINC001242349967 1314200674 /nfs/dbraw/zinc/20/06/74/1314200674.db2.gz ANXYWZSGZMQVCL-NSHDSACASA-N -1 0 337.310 2.922 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2cccc(C(=O)[O-])c2F)nc1 ZINC001242377962 1314201938 /nfs/dbraw/zinc/20/19/38/1314201938.db2.gz KCPHTSVRIYTGIN-SRZZPIQSSA-N -1 0 326.331 2.917 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1cc(C)cc(C)c1)OCC ZINC000800441490 1307846284 /nfs/dbraw/zinc/84/62/84/1307846284.db2.gz DOOUUNBHUPNLTA-INIZCTEOSA-N -1 0 339.457 2.621 20 30 EFEDRM CC[C@@H]1C(=O)Nc2cnc(-c3ccc([O-])c(C#N)c3)nc2N1C(C)C ZINC001242563514 1314216043 /nfs/dbraw/zinc/21/60/43/1314216043.db2.gz ZSEIMXKQZIFXFV-CQSZACIVSA-N -1 0 337.383 2.666 20 30 EFEDRM N#Cc1cc(-c2nc3sccc3c(N3CCOCC3)n2)ccc1[O-] ZINC001242563148 1314216420 /nfs/dbraw/zinc/21/64/20/1314216420.db2.gz TURJDDOTUUCYMZ-UHFFFAOYSA-N -1 0 338.392 2.772 20 30 EFEDRM N#Cc1cc(Cl)cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001242570608 1314216773 /nfs/dbraw/zinc/21/67/73/1314216773.db2.gz OMSPFYIDTAVONV-UHFFFAOYSA-N -1 0 333.756 2.702 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1Cl)C(=O)[O-] ZINC000900337395 1308002465 /nfs/dbraw/zinc/00/24/65/1308002465.db2.gz HNOPASFBXXGCPO-SNVBAGLBSA-N -1 0 342.779 2.898 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000900342395 1308013692 /nfs/dbraw/zinc/01/36/92/1308013692.db2.gz OZHQGEDJADERMJ-RHSMWYFYSA-N -1 0 343.427 2.972 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3=CC(=O)C[C@H](C)C3)nc2)no1 ZINC001242738570 1314230353 /nfs/dbraw/zinc/23/03/53/1314230353.db2.gz VQEUFULSTGPPJZ-SNVBAGLBSA-N -1 0 347.396 2.561 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccccc1C(=O)[O-] ZINC001242879439 1314241056 /nfs/dbraw/zinc/24/10/56/1314241056.db2.gz RPXGEXFKYNIVRF-ZDUSSCGKSA-N -1 0 347.330 2.775 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000800807355 1308458067 /nfs/dbraw/zinc/45/80/67/1308458067.db2.gz VRNVDYCIRGHVOE-UHFFFAOYSA-N -1 0 336.804 2.995 20 30 EFEDRM Cc1[nH]c(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000800807325 1308458262 /nfs/dbraw/zinc/45/82/62/1308458262.db2.gz VGLZJYCPZYDXCJ-UHFFFAOYSA-N -1 0 341.396 2.759 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000749037138 1314249502 /nfs/dbraw/zinc/24/95/02/1314249502.db2.gz SQEGXJZYNJBQBH-JTQLQIEISA-N -1 0 343.832 2.825 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(OC)c(C(=O)[O-])c2)c1 ZINC001209901746 1314257277 /nfs/dbraw/zinc/25/72/77/1314257277.db2.gz DWEZKHOULRNPHZ-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1Nc1nc(C#N)c(C#N)nc1Cl ZINC001210007496 1314270686 /nfs/dbraw/zinc/27/06/86/1314270686.db2.gz RHICWEKEXKKEQO-UHFFFAOYSA-N -1 0 331.694 2.763 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(Nc2ccc(C(=O)[O-])nc2)c(C)c1O ZINC001210175574 1314291781 /nfs/dbraw/zinc/29/17/81/1314291781.db2.gz JLYWTCQOUSQGJE-UHFFFAOYSA-N -1 0 341.323 2.586 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cccc(C(=O)[O-])c1F ZINC001210239427 1314300189 /nfs/dbraw/zinc/30/01/89/1314300189.db2.gz MUPPWIUJYYYBBD-UHFFFAOYSA-N -1 0 336.120 2.801 20 30 EFEDRM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC001413298879 1309452017 /nfs/dbraw/zinc/45/20/17/1309452017.db2.gz QRPODUKZCGPUEQ-RULNRJAQSA-N -1 0 328.384 2.939 20 30 EFEDRM Cc1ccc(C#N)cc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001210504892 1314344424 /nfs/dbraw/zinc/34/44/24/1314344424.db2.gz DEJKCMQHCMQIRC-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM N#Cc1cc2nc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)ccc2[nH]1 ZINC001244028284 1314344790 /nfs/dbraw/zinc/34/47/90/1314344790.db2.gz CXRWGTLVLRNTRT-UHFFFAOYSA-N -1 0 334.335 2.905 20 30 EFEDRM C=CCOc1cc(C)nc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)n1 ZINC001244029228 1314345295 /nfs/dbraw/zinc/34/52/95/1314345295.db2.gz KSFOZLOSJBGLRK-UHFFFAOYSA-N -1 0 341.367 2.820 20 30 EFEDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C#N)c1 ZINC001210539075 1314349156 /nfs/dbraw/zinc/34/91/56/1314349156.db2.gz NHSROMYSHXNRKV-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NNC[C@@H]2CCSC2)c1 ZINC000901243430 1309956362 /nfs/dbraw/zinc/95/63/62/1309956362.db2.gz JLTRPDRSLXDWJW-VIFPVBQESA-N -1 0 343.246 2.824 20 30 EFEDRM O=C([O-])c1ccc(-c2ccc(C=NN3CCC[C@H]3CO)s2)cc1 ZINC000901252982 1309977941 /nfs/dbraw/zinc/97/79/41/1309977941.db2.gz UADMCUYKIQOCQH-AWEZNQCLSA-N -1 0 330.409 2.904 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NN[C@H]2CCCSC2)c1 ZINC000901277536 1310032848 /nfs/dbraw/zinc/03/28/48/1310032848.db2.gz CWPPXFPLWSKELO-NSHDSACASA-N -1 0 343.246 2.966 20 30 EFEDRM CCOCc1nc(C)cc(N=NCc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000901277917 1310035062 /nfs/dbraw/zinc/03/50/62/1310035062.db2.gz KBPOWQHMBLHVJK-UHFFFAOYSA-N -1 0 328.372 2.774 20 30 EFEDRM N#CCOC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000801384374 1310055113 /nfs/dbraw/zinc/05/51/13/1310055113.db2.gz MEMLVJIGYTZMRT-UHFFFAOYSA-N -1 0 345.664 2.930 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(OC)cc(C(=O)[O-])c2)c(C#N)c1 ZINC001244177459 1314359582 /nfs/dbraw/zinc/35/95/82/1314359582.db2.gz ULYQWLWJEKXUJH-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM CC(C)(C#N)CCOC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000801415141 1310140861 /nfs/dbraw/zinc/14/08/61/1310140861.db2.gz XWTHQNZPSSQQRE-UHFFFAOYSA-N -1 0 335.310 2.953 20 30 EFEDRM C=CCCC(=O)COC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000801415470 1310144429 /nfs/dbraw/zinc/14/44/29/1310144429.db2.gz SYNPMKWEHIGHLC-UHFFFAOYSA-N -1 0 336.294 2.548 20 30 EFEDRM C=CCNC(=O)c1cccnc1-c1cc(C(=O)[O-])ccc1OCC ZINC001244418728 1314378804 /nfs/dbraw/zinc/37/88/04/1314378804.db2.gz RTHFUCKKQJEWHA-UHFFFAOYSA-N -1 0 326.352 2.761 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cncn2C(C)C)cc1CC(=O)[O-] ZINC000901438370 1310480911 /nfs/dbraw/zinc/48/09/11/1310480911.db2.gz HNLIAYWUUDSVJQ-WAYWQWQTSA-N -1 0 328.368 2.996 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1OCCC(=O)[O-] ZINC000901465628 1310526471 /nfs/dbraw/zinc/52/64/71/1310526471.db2.gz XBZQQWDKXGTYIM-HJWRWDBZSA-N -1 0 328.368 2.787 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1c(C(=O)[O-])cnn1C)CO2 ZINC000901465698 1310528461 /nfs/dbraw/zinc/52/84/61/1310528461.db2.gz VLBHSSZAJTVTOP-GHXNOFRVSA-N -1 0 326.352 2.900 20 30 EFEDRM CCn1ncc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000901542911 1310638916 /nfs/dbraw/zinc/63/89/16/1310638916.db2.gz ROSWCTADJUIVMG-VOTSOKGWSA-N -1 0 329.356 2.680 20 30 EFEDRM CCn1ncc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000901542909 1310640124 /nfs/dbraw/zinc/64/01/24/1310640124.db2.gz ROSWCTADJUIVMG-SREVYHEPSA-N -1 0 329.356 2.680 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C)/C(=C/c1c(C(=O)[O-])cnn1C)C2=O ZINC000901577734 1310691086 /nfs/dbraw/zinc/69/10/86/1310691086.db2.gz DPIJCYQMVDEFEQ-WULZRQGASA-N -1 0 326.352 2.585 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C)/C(=C/c1c(C(=O)[O-])cnn1C)C2=O ZINC000901577732 1310691472 /nfs/dbraw/zinc/69/14/72/1310691472.db2.gz DPIJCYQMVDEFEQ-DOQDJBIESA-N -1 0 326.352 2.585 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000901586054 1310704789 /nfs/dbraw/zinc/70/47/89/1310704789.db2.gz JUKWVPAVFBJXBK-UHFFFAOYSA-N -1 0 339.317 2.964 20 30 EFEDRM N#CC1(c2ccc(-c3cnc(F)c(C(=O)[O-])c3)nc2)CCOCC1 ZINC001244753793 1314408438 /nfs/dbraw/zinc/40/84/38/1314408438.db2.gz YVOSCOSKYMVWLU-UHFFFAOYSA-N -1 0 327.315 2.553 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C2CCCC2)n1 ZINC000901824438 1311070595 /nfs/dbraw/zinc/07/05/95/1311070595.db2.gz GAAYURSBZBYWNC-UHFFFAOYSA-N -1 0 330.413 2.750 20 30 EFEDRM C[C@@H](NC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000751530483 1311122295 /nfs/dbraw/zinc/12/22/95/1311122295.db2.gz BULBGVOJDPNSGO-SSDOTTSWSA-N -1 0 342.808 2.550 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C2CCCC2)n1 ZINC000901925629 1311202749 /nfs/dbraw/zinc/20/27/49/1311202749.db2.gz ZOSMHDFXXFQQAV-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1 ZINC000802040760 1311256836 /nfs/dbraw/zinc/25/68/36/1311256836.db2.gz KICJGOQTRZAWJY-GFCCVEGCSA-N -1 0 339.351 2.912 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1 ZINC000802056346 1311282996 /nfs/dbraw/zinc/28/29/96/1311282996.db2.gz KKQUDUOYZMREOO-SECBINFHSA-N -1 0 335.772 2.858 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccc2c1CCCC2 ZINC001223786180 1311303323 /nfs/dbraw/zinc/30/33/23/1311303323.db2.gz VYUICAISKWANJY-MRXNPFEDSA-N -1 0 340.441 2.541 20 30 EFEDRM CCOC(=O)[C@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F ZINC001223889838 1311315684 /nfs/dbraw/zinc/31/56/84/1311315684.db2.gz LBRXGHZJRZICHP-JGWZONQLSA-N -1 0 327.205 2.611 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC2CCC3(CC2)OCCO3)c1 ZINC001223888800 1311315885 /nfs/dbraw/zinc/31/58/85/1311315885.db2.gz FXAJVFMQAFDLKD-VLGSPTGOSA-N -1 0 337.372 2.542 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCC3(C2)OCCO3)c1 ZINC001223891591 1311316227 /nfs/dbraw/zinc/31/62/27/1311316227.db2.gz NWHAAEIEOGCXOG-LTRYHMRKSA-N -1 0 337.372 2.542 20 30 EFEDRM CCOC(=O)[C@@H]1CCC[C@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892950 1311316755 /nfs/dbraw/zinc/31/67/55/1311316755.db2.gz NZZBTHVZFFTHQY-NNYVVRLASA-N -1 0 337.372 2.588 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc2c(c1)CCCC2 ZINC001223939627 1311323802 /nfs/dbraw/zinc/32/38/02/1311323802.db2.gz FCHWSADPASCMLE-QGZVFWFLSA-N -1 0 340.441 2.541 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccc(C(C)C)c1 ZINC001223948640 1311324618 /nfs/dbraw/zinc/32/46/18/1311324618.db2.gz OBTRBLWRAWLTLS-INIZCTEOSA-N -1 0 328.430 2.786 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@@H](C)c1ccc(Cl)cc1 ZINC001223961829 1311326224 /nfs/dbraw/zinc/32/62/24/1311326224.db2.gz CKVFYBKWRBFFDL-FZMZJTMJSA-N -1 0 334.821 2.877 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n(CCC#N)n1 ZINC000780382959 1311365120 /nfs/dbraw/zinc/36/51/20/1311365120.db2.gz PNBLUAZWNYTSKI-UHFFFAOYSA-N -1 0 340.355 2.844 20 30 EFEDRM CC[C@@H](C)CO[N-]C(=O)COc1cccc(Br)c1C#N ZINC000832739863 1311418702 /nfs/dbraw/zinc/41/87/02/1311418702.db2.gz RAHURLUFBYRMIP-SNVBAGLBSA-N -1 0 341.205 2.793 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cccnc1Cl ZINC001158966944 1311426764 /nfs/dbraw/zinc/42/67/64/1311426764.db2.gz FZBZLUDNMMPHIT-UHFFFAOYSA-N -1 0 327.678 2.579 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000802209000 1311460355 /nfs/dbraw/zinc/46/03/55/1311460355.db2.gz GVTYLWPZPVYSEJ-UHFFFAOYSA-N -1 0 341.477 2.775 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)OCCCC[P@](=O)([O-])O ZINC001225019480 1311464703 /nfs/dbraw/zinc/46/47/03/1311464703.db2.gz XDPVTZUUJCSCES-ZDUSSCGKSA-N -1 0 332.720 2.695 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)co1 ZINC000802213388 1311467928 /nfs/dbraw/zinc/46/79/28/1311467928.db2.gz YHLSYPDKNXCKSE-NSHDSACASA-N -1 0 347.321 2.544 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C(C)(C)C)c1 ZINC001225241590 1311493565 /nfs/dbraw/zinc/49/35/65/1311493565.db2.gz DPNPVYCPYUYFCX-HNNXBMFYSA-N -1 0 328.430 2.822 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@H](Oc2ccc3c(c2)OCC3=O)C1 ZINC001225342805 1311510055 /nfs/dbraw/zinc/51/00/55/1311510055.db2.gz LYHUMDJJLZRLDH-KRWDZBQOSA-N -1 0 334.375 2.787 20 30 EFEDRM C=CCOc1ccccc1[C@@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1 ZINC001225729510 1311569672 /nfs/dbraw/zinc/56/96/72/1311569672.db2.gz ABSMAQJPRVXKJB-LLVKDONJSA-N -1 0 330.340 2.674 20 30 EFEDRM CCOC(=O)C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1 ZINC001226014627 1311601424 /nfs/dbraw/zinc/60/14/24/1311601424.db2.gz YSRUQKFFFRXPLS-AWEZNQCLSA-N -1 0 330.315 2.871 20 30 EFEDRM C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063553 1311607880 /nfs/dbraw/zinc/60/78/80/1311607880.db2.gz IMZADJCIRPRLAV-QMMMGPOBSA-N -1 0 330.262 2.564 20 30 EFEDRM CCCCOC(=O)[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065698 1311608318 /nfs/dbraw/zinc/60/83/18/1311608318.db2.gz VARNVLRCCHRBQL-QMMMGPOBSA-N -1 0 332.278 2.788 20 30 EFEDRM CC(C)(C)OC(=O)N1CCOC[C@@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226109850 1311614738 /nfs/dbraw/zinc/61/47/38/1311614738.db2.gz KHAWODWXSYKKGL-ZNBBLSJYSA-N -1 0 336.388 2.509 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1C#N ZINC001226223999 1311633234 /nfs/dbraw/zinc/63/32/34/1311633234.db2.gz XQGCPLIRGZYSOJ-CABCVRRESA-N -1 0 338.411 2.967 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1C#N ZINC001226223788 1311633416 /nfs/dbraw/zinc/63/34/16/1311633416.db2.gz UGIXZHWGMBZZCH-IACUBPJLSA-N -1 0 345.399 2.887 20 30 EFEDRM CC(C)CCOC(=O)[C@H](Oc1nccc(/C=N/O)n1)c1ccccc1 ZINC001226255081 1311638078 /nfs/dbraw/zinc/63/80/78/1311638078.db2.gz GMNUQQAVOWYSQK-DDLUMYACSA-N -1 0 343.383 2.994 20 30 EFEDRM C=C[C@@]1(C)CC[C@@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C(C)(C)O1 ZINC001226412020 1311663253 /nfs/dbraw/zinc/66/32/53/1311663253.db2.gz BGYOKHBHSCTHRX-ZBFHGGJFSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001226651898 1311702460 /nfs/dbraw/zinc/70/24/60/1311702460.db2.gz KHNQKGCEPLLMBJ-WDEREUQCSA-N -1 0 349.343 2.557 20 30 EFEDRM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001226651897 1311702683 /nfs/dbraw/zinc/70/26/83/1311702683.db2.gz KHNQKGCEPLLMBJ-QWRGUYRKSA-N -1 0 349.343 2.557 20 30 EFEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)nnc2Br)O1 ZINC001227064986 1311757498 /nfs/dbraw/zinc/75/74/98/1311757498.db2.gz WJQDMSULFLSBRJ-ISVAXAHUSA-N -1 0 344.209 2.621 20 30 EFEDRM CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nnc1Br ZINC001227067479 1311758227 /nfs/dbraw/zinc/75/82/27/1311758227.db2.gz ZDHYWLJXBFTCSO-LBPRGKRZSA-N -1 0 348.200 2.939 20 30 EFEDRM C=C[C@@H](Oc1cc(OC)ccc1C(=O)c1ccccc1[O-])C(=O)OC ZINC001227411965 1311804036 /nfs/dbraw/zinc/80/40/36/1311804036.db2.gz VMTMSHAIVAIGPS-MRXNPFEDSA-N -1 0 342.347 2.738 20 30 EFEDRM C#C[C@H](CCC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495193 1311812503 /nfs/dbraw/zinc/81/25/03/1311812503.db2.gz MVSBJYKYPPWIFE-SNVBAGLBSA-N -1 0 340.397 2.988 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)cc1Cl ZINC001227511659 1311814219 /nfs/dbraw/zinc/81/42/19/1311814219.db2.gz KRXLAIIUCCGNLG-JTQLQIEISA-N -1 0 341.212 2.831 20 30 EFEDRM C=CC[C@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)C(C)C ZINC001227598087 1311826763 /nfs/dbraw/zinc/82/67/63/1311826763.db2.gz UFANZXZFDLHSRR-ZETCQYMHSA-N -1 0 327.182 2.801 20 30 EFEDRM C#C[C@@H](CCCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227620378 1311832489 /nfs/dbraw/zinc/83/24/89/1311832489.db2.gz GBJHUDQODFVMOO-JTQLQIEISA-N -1 0 340.397 2.988 20 30 EFEDRM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636976 1311834588 /nfs/dbraw/zinc/83/45/88/1311834588.db2.gz FOFKUVMSJOWNSO-MNOVXSKESA-N -1 0 336.340 2.519 20 30 EFEDRM N#C[C@H]1CC[C@@H](Oc2cc3cc(S(=O)(=O)[O-])ccc3cc2O)C1 ZINC001227638660 1311835104 /nfs/dbraw/zinc/83/51/04/1311835104.db2.gz YYLASHYNUULTBT-GXFFZTMASA-N -1 0 333.365 2.863 20 30 EFEDRM C#C[C@H](CC(C)C)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227637037 1311835124 /nfs/dbraw/zinc/83/51/24/1311835124.db2.gz GBIOVUMMJGJBKQ-LLVKDONJSA-N -1 0 338.356 2.765 20 30 EFEDRM C#C[C@@H](C)Oc1c(-c2ccc(O)c(O)c2)oc2cc([O-])ccc2c1=O ZINC001228365994 1311937303 /nfs/dbraw/zinc/93/73/03/1311937303.db2.gz QEWWGLYLPXTJFB-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM C#C[C@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001228811058 1312003790 /nfs/dbraw/zinc/00/37/90/1312003790.db2.gz NHOOYNAUWJXXMY-HNNXBMFYSA-N -1 0 327.292 2.840 20 30 EFEDRM CC[C@@H]1OC(C)=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1=O ZINC001228858126 1312010807 /nfs/dbraw/zinc/01/08/07/1312010807.db2.gz CZUWSICITWLYDN-ZETCQYMHSA-N -1 0 348.233 2.702 20 30 EFEDRM CCC1=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C(=O)[C@H](C)O1 ZINC001228858124 1312011181 /nfs/dbraw/zinc/01/11/81/1312011181.db2.gz CXXUAKBHZLEEHJ-YFKPBYRVSA-N -1 0 348.233 2.702 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=O)ccc2C#N)CC1 ZINC001228899488 1312016975 /nfs/dbraw/zinc/01/69/75/1312016975.db2.gz YFCVPTPMDGHQAJ-CYBMUJFWSA-N -1 0 333.388 2.827 20 30 EFEDRM CCOC(=O)[C@@H](CCc1ccccc1)Oc1[n-]c(=O)ccc1C#N ZINC001228900574 1312017248 /nfs/dbraw/zinc/01/72/48/1312017248.db2.gz GNCUZQBJAJRQQB-OAHLLOKOSA-N -1 0 326.352 2.602 20 30 EFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)c1sccc1Cl ZINC000802782354 1312017840 /nfs/dbraw/zinc/01/78/40/1312017840.db2.gz TUSBMPKUORWQPY-UHFFFAOYSA-N -1 0 344.776 2.531 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]c(=O)ccc3C#N)[C@H]2C1 ZINC001228904998 1312018231 /nfs/dbraw/zinc/01/82/31/1312018231.db2.gz DZTTYUFLVYFCPD-IHRRRGAJSA-N -1 0 345.399 2.683 20 30 EFEDRM C=C[C@H](CCCC)Oc1nc[n-]c(=O)c1I ZINC001228933810 1312022596 /nfs/dbraw/zinc/02/25/96/1312022596.db2.gz RTCYKZZRNAZYIQ-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2ccc(C#N)cc2c1 ZINC001228967831 1312028977 /nfs/dbraw/zinc/02/89/77/1312028977.db2.gz CRUBVMMOYGGVEV-KRWDZBQOSA-N -1 0 347.392 2.549 20 30 EFEDRM CCC[C@@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378760 1312085893 /nfs/dbraw/zinc/08/58/93/1312085893.db2.gz MTNCHCMHAYBPGN-AWEZNQCLSA-N -1 0 327.340 2.998 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000802890604 1312112543 /nfs/dbraw/zinc/11/25/43/1312112543.db2.gz DHDXDZCMGBTUDT-CQSZACIVSA-N -1 0 336.269 2.955 20 30 EFEDRM C#C[C@@H](Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccncc1 ZINC001229622772 1312121426 /nfs/dbraw/zinc/12/14/26/1312121426.db2.gz GBTVLHBXLDOWBO-HZPDHXFCSA-N -1 0 338.388 2.729 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1nc(C)[nH]c(=O)c1OC ZINC001230026321 1312173845 /nfs/dbraw/zinc/17/38/45/1312173845.db2.gz PVJGPPHWPHJRQK-GFCCVEGCSA-N -1 0 334.759 2.612 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nnc(Cl)cc1C#N ZINC001163109667 1312243144 /nfs/dbraw/zinc/24/31/44/1312243144.db2.gz KAXMJBWFYMUVBB-UHFFFAOYSA-N -1 0 326.747 2.945 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncc2c(C#N)c[nH]c2n1 ZINC001163111656 1312243932 /nfs/dbraw/zinc/24/39/32/1312243932.db2.gz VMFWRRXQHQGRPY-UHFFFAOYSA-N -1 0 331.339 2.773 20 30 EFEDRM N#Cc1c(Cl)cc(Br)cc1N[C@H]1SC(=O)[N-]C1=O ZINC001163666920 1312357702 /nfs/dbraw/zinc/35/77/02/1312357702.db2.gz OWJBDRNLLVEBQN-VIFPVBQESA-N -1 0 346.593 2.695 20 30 EFEDRM O=C1[N-]C(=O)[C@H](Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)S1 ZINC001163673035 1312360672 /nfs/dbraw/zinc/36/06/72/1312360672.db2.gz UUJBMCZUBLTEIK-MRVPVSSYSA-N -1 0 348.199 2.983 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C)c2C#N)n1 ZINC000903116887 1312371305 /nfs/dbraw/zinc/37/13/05/1312371305.db2.gz BDYCPDWMHVJKLP-UHFFFAOYSA-N -1 0 342.424 2.897 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)c1 ZINC000903173358 1312428529 /nfs/dbraw/zinc/42/85/29/1312428529.db2.gz NBSIEJSXENCHRE-NSHDSACASA-N -1 0 348.428 2.578 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)cc(Cl)cc2C)c1C#N ZINC000903173770 1312429541 /nfs/dbraw/zinc/42/95/41/1312429541.db2.gz VWBDUQDEJOPAHW-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM O=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1O[C@@H]1C=CC(=O)C1 ZINC001231289155 1312471225 /nfs/dbraw/zinc/47/12/25/1312471225.db2.gz KHQHXNCMFFQQIY-SNVBAGLBSA-N -1 0 333.321 2.761 20 30 EFEDRM N#C[C@H]1CN(Cc2cc(Cl)c([O-])c(Br)c2)CCO1 ZINC001231747665 1312559388 /nfs/dbraw/zinc/55/93/88/1312559388.db2.gz SFWTUWBBZPHDMX-VIFPVBQESA-N -1 0 331.597 2.532 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1cc(CC(=O)[O-])ccc1F ZINC001245316549 1314468298 /nfs/dbraw/zinc/46/82/98/1314468298.db2.gz FYPOKACMZUZLQL-UHFFFAOYSA-N -1 0 330.315 2.678 20 30 EFEDRM N#Cc1ncc(F)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213184914 1314518276 /nfs/dbraw/zinc/51/82/76/1314518276.db2.gz JLULMSNIZUDUIU-UHFFFAOYSA-N -1 0 328.303 2.639 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1c([O-])cccc1F ZINC001245655792 1314521391 /nfs/dbraw/zinc/52/13/91/1314521391.db2.gz VBHKRBROYLWNJT-JTQLQIEISA-N -1 0 329.331 2.937 20 30 EFEDRM N#Cc1ccc(C(=O)n2nc(COCc3ccccc3)cc2[O-])cc1 ZINC001245923938 1314550252 /nfs/dbraw/zinc/55/02/52/1314550252.db2.gz TXJOSLRDBXAJTQ-UHFFFAOYSA-N -1 0 333.347 2.866 20 30 EFEDRM N#Cc1ccc(C(=O)n2[n-]c(-c3ccc4c(c3)OCO4)cc2=O)cc1 ZINC001245929936 1314551378 /nfs/dbraw/zinc/55/13/78/1314551378.db2.gz JMFPMZLEULDROH-UHFFFAOYSA-N -1 0 333.303 2.545 20 30 EFEDRM CS(=O)(=O)c1ccc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)cc1 ZINC001245937754 1314552818 /nfs/dbraw/zinc/55/28/18/1314552818.db2.gz UMMOPOFZWFQGLP-UHFFFAOYSA-N -1 0 339.376 2.520 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213634593 1314585293 /nfs/dbraw/zinc/58/52/93/1314585293.db2.gz UOBBQHMAQUHXPE-UHFFFAOYSA-N -1 0 337.379 2.987 20 30 EFEDRM N#Cc1cnccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001214016559 1314636272 /nfs/dbraw/zinc/63/62/72/1314636272.db2.gz NNBOKQLFVSCPNF-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM N#Cc1nn(-c2cc(C(=O)[O-])c(Cl)cc2F)c2ccc(N)cc12 ZINC001214750530 1314734825 /nfs/dbraw/zinc/73/48/25/1314734825.db2.gz UWSQRBNAPUCSDY-UHFFFAOYSA-N -1 0 330.706 2.970 20 30 EFEDRM COC(=O)c1sc(Nc2cnc(F)c(C(=O)[O-])c2)c(C#N)c1C ZINC001215102024 1314781868 /nfs/dbraw/zinc/78/18/68/1314781868.db2.gz VPTDSFBWYBVSDA-UHFFFAOYSA-N -1 0 335.316 2.691 20 30 EFEDRM CCOC(=O)c1c(C)oc(Nc2cc(C(=O)[O-])cnc2F)c1C#N ZINC001215124299 1314785304 /nfs/dbraw/zinc/78/53/04/1314785304.db2.gz KCNGKSBOKFMWQZ-UHFFFAOYSA-N -1 0 333.275 2.612 20 30 EFEDRM C=CCCNC(=S)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001247648565 1314814937 /nfs/dbraw/zinc/81/49/37/1314814937.db2.gz FAPUJAZLIJXQRX-UHFFFAOYSA-N -1 0 336.438 2.949 20 30 EFEDRM COc1ncnc(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1C#N ZINC001215642543 1314863089 /nfs/dbraw/zinc/86/30/89/1314863089.db2.gz CMVPFORCEULGHG-UHFFFAOYSA-N -1 0 338.245 2.817 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001247988262 1314879060 /nfs/dbraw/zinc/87/90/60/1314879060.db2.gz KBDFYLSKEGYBOK-UHFFFAOYSA-N -1 0 340.270 2.952 20 30 EFEDRM N#Cc1c(Cl)cccc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001216128715 1314916929 /nfs/dbraw/zinc/91/69/29/1314916929.db2.gz OGFMFENTYFODKY-UHFFFAOYSA-N -1 0 329.743 2.770 20 30 EFEDRM COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc(C#N)c3)no2)cc1[O-] ZINC001216343653 1314942412 /nfs/dbraw/zinc/94/24/12/1314942412.db2.gz PGBWRWCNYQJOIC-UHFFFAOYSA-N -1 0 338.279 2.898 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216677875 1314992029 /nfs/dbraw/zinc/99/20/29/1314992029.db2.gz WKUZLRTZPLORFW-UHFFFAOYSA-N -1 0 337.314 2.649 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1[O-] ZINC001216980159 1315027850 /nfs/dbraw/zinc/02/78/50/1315027850.db2.gz RULDETDOJFZVPD-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM Cc1ccncc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217507180 1315079522 /nfs/dbraw/zinc/07/95/22/1315079522.db2.gz QPCAPEOJTVKIBN-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749144090 1315117633 /nfs/dbraw/zinc/11/76/33/1315117633.db2.gz SGFDQIIUAGDELX-UHFFFAOYSA-N -1 0 347.367 2.639 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2cc([O-])c(F)c(F)c2F)nc1C#N ZINC001249961565 1315160073 /nfs/dbraw/zinc/16/00/73/1315160073.db2.gz SYFVUJGBQBHPAP-UHFFFAOYSA-N -1 0 325.637 2.740 20 30 EFEDRM COC(=O)C1(C#N)CCN(Cc2cc([O-])c(Cl)c(F)c2F)CC1 ZINC001250414398 1315209368 /nfs/dbraw/zinc/20/93/68/1315209368.db2.gz HEVDNGHZCHOBSE-UHFFFAOYSA-N -1 0 344.745 2.603 20 30 EFEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1nc2cc(Cl)ccc2n1C ZINC000749157286 1315253181 /nfs/dbraw/zinc/25/31/81/1315253181.db2.gz DSOWNVPOSNNWCM-UHFFFAOYSA-N -1 0 340.778 2.729 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1[N-]S(=O)(=O)c1cccs1 ZINC001250867891 1315283638 /nfs/dbraw/zinc/28/36/38/1315283638.db2.gz WSTUQHZAXZCSPC-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251249870 1315335520 /nfs/dbraw/zinc/33/55/20/1315335520.db2.gz WIMUWGVVVWABPK-LBPRGKRZSA-N -1 0 342.289 2.743 20 30 EFEDRM N#CCCN(CCC#N)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251411727 1315346992 /nfs/dbraw/zinc/34/69/92/1315346992.db2.gz KLAVCCOONCCZNJ-UHFFFAOYSA-N -1 0 348.211 2.517 20 30 EFEDRM CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432979 1315348067 /nfs/dbraw/zinc/34/80/67/1315348067.db2.gz WAJUQDYHGXNFKB-GFCCVEGCSA-N -1 0 337.228 2.916 20 30 EFEDRM CC(C)(S)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251438999 1315348563 /nfs/dbraw/zinc/34/85/63/1315348563.db2.gz JZWBWZMKYIPWAU-UHFFFAOYSA-N -1 0 330.258 2.686 20 30 EFEDRM N#Cc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])o1 ZINC001251439004 1315348624 /nfs/dbraw/zinc/34/86/24/1315348624.db2.gz KDXBLQQSIBALFO-UHFFFAOYSA-N -1 0 347.179 2.642 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001251531381 1315353605 /nfs/dbraw/zinc/35/36/05/1315353605.db2.gz GAZUWLVYIHIILV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)cc1 ZINC001251838095 1315381386 /nfs/dbraw/zinc/38/13/86/1315381386.db2.gz CKZJSBXWEWUBRB-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000193421813 1315408640 /nfs/dbraw/zinc/40/86/40/1315408640.db2.gz KJPKQNRLALDIAK-CYBMUJFWSA-N -1 0 328.393 2.500 20 30 EFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)c2ccc(C)cc2)c1C#N ZINC001252102898 1315413432 /nfs/dbraw/zinc/41/34/32/1315413432.db2.gz WYTWWTNBVHJGGP-UHFFFAOYSA-N -1 0 348.380 2.746 20 30 EFEDRM COc1cc([N-]S(C)(=O)=O)c(C#N)cc1OCc1ccccc1 ZINC001252733906 1315496863 /nfs/dbraw/zinc/49/68/63/1315496863.db2.gz VXXHSWADWGDWHU-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)/C=C/c2ccccc2)cc1OC ZINC001253032360 1315558859 /nfs/dbraw/zinc/55/88/59/1315558859.db2.gz JMXWVMNXFUYJMD-CMDGGOBGSA-N -1 0 344.392 2.988 20 30 EFEDRM N#Cc1ccc(Br)c([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253198163 1315579616 /nfs/dbraw/zinc/57/96/16/1315579616.db2.gz ADHQJJAVPUBVFW-UHFFFAOYSA-N -1 0 343.124 2.625 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)CC(F)(F)F)nc1 ZINC001253204466 1315580211 /nfs/dbraw/zinc/58/02/11/1315580211.db2.gz MWIITYFRASDUNT-UHFFFAOYSA-N -1 0 341.314 2.924 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-][C@H](c1cccc(F)c1)C(F)(F)F ZINC001253210698 1315581092 /nfs/dbraw/zinc/58/10/92/1315581092.db2.gz WGWSDUQMBZYYKQ-MRVPVSSYSA-N -1 0 339.232 2.911 20 30 EFEDRM C=C[C@H](O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001253592285 1315617572 /nfs/dbraw/zinc/61/75/72/1315617572.db2.gz LQYFDMAMOKIQTN-HNNXBMFYSA-N -1 0 325.364 2.504 20 30 EFEDRM CC(C)Oc1ccccc1OC[C@@H](O)CNc1scc([O-])c1C#N ZINC001253991195 1315662636 /nfs/dbraw/zinc/66/26/36/1315662636.db2.gz KONNBIGGOYJPFY-LBPRGKRZSA-N -1 0 348.424 2.964 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001254032659 1315666994 /nfs/dbraw/zinc/66/69/94/1315666994.db2.gz XOXSOPODLADVRH-GFCCVEGCSA-N -1 0 344.392 2.901 20 30 EFEDRM N#Cc1cccc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)c1 ZINC001254163739 1315677273 /nfs/dbraw/zinc/67/72/73/1315677273.db2.gz GRJCBFKPISARGH-UHFFFAOYSA-N -1 0 330.303 2.618 20 30 EFEDRM N#Cc1ccc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)cc1 ZINC001254164492 1315677278 /nfs/dbraw/zinc/67/72/78/1315677278.db2.gz OAHDZGLDWAKNJR-UHFFFAOYSA-N -1 0 330.303 2.618 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001254347315 1315696592 /nfs/dbraw/zinc/69/65/92/1315696592.db2.gz GBDSOCLXALPUMR-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(OC)ccc2OC)ccc1F ZINC001254424987 1315703379 /nfs/dbraw/zinc/70/33/79/1315703379.db2.gz HKRQFYYOZQHRML-UHFFFAOYSA-N -1 0 335.356 2.625 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c1 ZINC001254439288 1315703851 /nfs/dbraw/zinc/70/38/51/1315703851.db2.gz CLYDMOLYCYLIAW-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c1 ZINC001254446722 1315705308 /nfs/dbraw/zinc/70/53/08/1315705308.db2.gz MRSDWQZGZSRCDM-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1cccc(F)c1 ZINC001255683225 1315857601 /nfs/dbraw/zinc/85/76/01/1315857601.db2.gz HRCLADQTUQSATJ-UHFFFAOYSA-N -1 0 325.205 2.597 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255862949 1315874264 /nfs/dbraw/zinc/87/42/64/1315874264.db2.gz JBZJCNOHNXKNFE-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1 ZINC001255869648 1315874337 /nfs/dbraw/zinc/87/43/37/1315874337.db2.gz REFXQGBLIJERPF-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1 ZINC001255875968 1315875803 /nfs/dbraw/zinc/87/58/03/1315875803.db2.gz XUDQOQBCUMDLKT-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(C#N)c1 ZINC001256073162 1315899249 /nfs/dbraw/zinc/89/92/49/1315899249.db2.gz PDIFJPZJNVXJFY-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM C=CC[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)C(=O)[O-] ZINC001256560724 1315959319 /nfs/dbraw/zinc/95/93/19/1315959319.db2.gz SMQONFOARJUCIQ-SNVBAGLBSA-N -1 0 337.173 2.690 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1C#N ZINC001256568476 1315960848 /nfs/dbraw/zinc/96/08/48/1315960848.db2.gz HMVTTZHLYXIWQJ-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C)c2)cc1OC ZINC001256924373 1316012142 /nfs/dbraw/zinc/01/21/42/1316012142.db2.gz UDSNKHUAGKBMBF-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1OC ZINC001257000256 1316020236 /nfs/dbraw/zinc/02/02/36/1316020236.db2.gz JCXYUSITWOMAIE-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM N#Cc1c(Br)cccc1OCC(=O)[N-]OC1CCCC1 ZINC000827834547 1316020950 /nfs/dbraw/zinc/02/09/50/1316020950.db2.gz OPYZKXPXYVOTFM-UHFFFAOYSA-N -1 0 339.189 2.690 20 30 EFEDRM N#Cc1ccc(OCC(=O)[N-]OC2CCCC2)cc1Br ZINC000827834797 1316021094 /nfs/dbraw/zinc/02/10/94/1316021094.db2.gz ZENVGKRWXGTDIJ-UHFFFAOYSA-N -1 0 339.189 2.690 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1C#N ZINC001257904458 1316101988 /nfs/dbraw/zinc/10/19/88/1316101988.db2.gz IEMFJONVYKEEFQ-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncn3)cs2)cc1 ZINC001258044982 1316115041 /nfs/dbraw/zinc/11/50/41/1316115041.db2.gz BXTBCPCHEMROKN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CC(C)c1cnn2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)cnc12 ZINC001258054241 1316115621 /nfs/dbraw/zinc/11/56/21/1316115621.db2.gz ZSGCIZNIYCSOBL-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM CP(C)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258116168 1316119699 /nfs/dbraw/zinc/11/96/99/1316119699.db2.gz FEJPLFAONGMQMA-UHFFFAOYSA-N -1 0 334.337 2.607 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2O)no1 ZINC001258208098 1316131574 /nfs/dbraw/zinc/13/15/74/1316131574.db2.gz HRMVZQMKUFUWHX-UHFFFAOYSA-N -1 0 341.348 2.720 20 30 EFEDRM CC(C)c1nnc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cn21 ZINC001258214877 1316132135 /nfs/dbraw/zinc/13/21/35/1316132135.db2.gz TZYRZGSIARALFQ-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC001258273537 1316135877 /nfs/dbraw/zinc/13/58/77/1316135877.db2.gz JJZQQLDXKJMURI-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CCC2 ZINC001258278997 1316136276 /nfs/dbraw/zinc/13/62/76/1316136276.db2.gz RUPNCPBLVKYTNS-UHFFFAOYSA-N -1 0 341.392 2.634 20 30 EFEDRM COc1cnc2c(cccc2[N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258283069 1316136293 /nfs/dbraw/zinc/13/62/93/1316136293.db2.gz IIEJOCLNLZDXMF-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](O)CCC2 ZINC001258283567 1316136339 /nfs/dbraw/zinc/13/63/39/1316136339.db2.gz YYIDXQJREQRYIX-INIZCTEOSA-N -1 0 328.393 2.729 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](O)CCC2 ZINC001258283568 1316136422 /nfs/dbraw/zinc/13/64/22/1316136422.db2.gz YYIDXQJREQRYIX-MRXNPFEDSA-N -1 0 328.393 2.729 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(OC)c1F ZINC001258283363 1316136431 /nfs/dbraw/zinc/13/64/31/1316136431.db2.gz SFTQGOYJJOEMQC-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC001258426580 1316150352 /nfs/dbraw/zinc/15/03/52/1316150352.db2.gz XRVWZSKUSDLMKX-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(F)c(C)cc1C#N ZINC001258443974 1316151102 /nfs/dbraw/zinc/15/11/02/1316151102.db2.gz VFQASAWSCJEZEW-UHFFFAOYSA-N -1 0 342.783 2.502 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258911611 1316191864 /nfs/dbraw/zinc/19/18/64/1316191864.db2.gz GDYZJBADDYLMHK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)ccnc1C#N ZINC001258933257 1316193753 /nfs/dbraw/zinc/19/37/53/1316193753.db2.gz YFLBXGPIYCIREB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)cnc1C ZINC001258932356 1316193763 /nfs/dbraw/zinc/19/37/63/1316193763.db2.gz UGBGLIZKBUGMSS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccccc1C#N)C(=O)C2 ZINC001258985510 1316199117 /nfs/dbraw/zinc/19/91/17/1316199117.db2.gz RQMSWKYIDGDQMC-CXAGYDPISA-N -1 0 332.425 2.695 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C#N)c1 ZINC001259041486 1316201378 /nfs/dbraw/zinc/20/13/78/1316201378.db2.gz NWEVWMRHJHNUSO-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(O)cc1F ZINC001259040875 1316201540 /nfs/dbraw/zinc/20/15/40/1316201540.db2.gz LVYSBNQDMNXUQT-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM N#Cc1cc(CNS(=O)(=O)c2cc(F)c(F)cc2F)cs1 ZINC001259044599 1316201986 /nfs/dbraw/zinc/20/19/86/1316201986.db2.gz RBGXAUWKEXOMRU-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259064135 1316203192 /nfs/dbraw/zinc/20/31/92/1316203192.db2.gz GSMHLQGPKGPLJI-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC001259073962 1316205238 /nfs/dbraw/zinc/20/52/38/1316205238.db2.gz XNPDLLJYNQPMSJ-LLVKDONJSA-N -1 0 326.299 2.647 20 30 EFEDRM N#Cc1csc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259083575 1316206584 /nfs/dbraw/zinc/20/65/84/1316206584.db2.gz NBVROWGHZRVQPJ-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)c(Cl)c1 ZINC001259106812 1316210485 /nfs/dbraw/zinc/21/04/85/1316210485.db2.gz LIQFYQWUCYMWIM-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)c(Cl)c1 ZINC001259107312 1316210677 /nfs/dbraw/zinc/21/06/77/1316210677.db2.gz QGJYHZJOGNXWAJ-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccn1 ZINC001259107108 1316210716 /nfs/dbraw/zinc/21/07/16/1316210716.db2.gz DQMFQXGILQZJLO-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c(Cl)c1 ZINC001259112700 1316211061 /nfs/dbraw/zinc/21/10/61/1316211061.db2.gz DUUJSBQPFCSODR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259113103 1316211161 /nfs/dbraw/zinc/21/11/61/1316211161.db2.gz DGZVUOOBRXWGOQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1cccc(CO)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259113304 1316211261 /nfs/dbraw/zinc/21/12/61/1316211261.db2.gz OSWUWKACCSKLEK-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cnc1OC(C)C ZINC001259118685 1316211593 /nfs/dbraw/zinc/21/15/93/1316211593.db2.gz NXZCWAOMAVAJLK-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnn2)c1 ZINC001259119158 1316211678 /nfs/dbraw/zinc/21/16/78/1316211678.db2.gz LBVMMQXCFXYFJI-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)nc2)c1 ZINC001259118878 1316211769 /nfs/dbraw/zinc/21/17/69/1316211769.db2.gz UZZVUVIKBWRMAW-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CCOC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124145 1316212382 /nfs/dbraw/zinc/21/23/82/1316212382.db2.gz AUROCCWOGFDDKA-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cccc3cnccc32)c1C#N ZINC001259150922 1316213801 /nfs/dbraw/zinc/21/38/01/1316213801.db2.gz ZTKYWWMTQUVKIX-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC001259176897 1316215127 /nfs/dbraw/zinc/21/51/27/1316215127.db2.gz QKPGYMJJIMDAPZ-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1 ZINC001259178656 1316215843 /nfs/dbraw/zinc/21/58/43/1316215843.db2.gz WNQOPPHFWAEYPP-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001259203005 1316219737 /nfs/dbraw/zinc/21/97/37/1316219737.db2.gz JGDUMKUTCGRSRX-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001259205914 1316220235 /nfs/dbraw/zinc/22/02/35/1316220235.db2.gz OBHQCJHXOYFZRD-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259290291 1316225839 /nfs/dbraw/zinc/22/58/39/1316225839.db2.gz VDBNDLVPHZDDBQ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC001259332152 1316230868 /nfs/dbraw/zinc/23/08/68/1316230868.db2.gz IKIAWMLGHSKJTL-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356199 1316232061 /nfs/dbraw/zinc/23/20/61/1316232061.db2.gz UGOPJDUCRAHBFJ-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1F ZINC001259369250 1316233922 /nfs/dbraw/zinc/23/39/22/1316233922.db2.gz SSHYUIKMOUYPNN-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1C#N ZINC001259369209 1316234066 /nfs/dbraw/zinc/23/40/66/1316234066.db2.gz SLQBNMMCKODIPF-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC001259402437 1316238336 /nfs/dbraw/zinc/23/83/36/1316238336.db2.gz UXDMIKQGOLDFES-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412997 1316239194 /nfs/dbraw/zinc/23/91/94/1316239194.db2.gz XUDZFHHTYPJRID-UHFFFAOYSA-N -1 0 336.392 2.529 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC001259413223 1316239790 /nfs/dbraw/zinc/23/97/90/1316239790.db2.gz XTSJNXMVAJLPAD-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1C#N ZINC001259423028 1316241340 /nfs/dbraw/zinc/24/13/40/1316241340.db2.gz PUXZEQLXDMVIDG-UHFFFAOYSA-N -1 0 345.352 2.725 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1O ZINC001259458432 1316245921 /nfs/dbraw/zinc/24/59/21/1316245921.db2.gz NXCXKNGQNDKPNU-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC001259480932 1316249324 /nfs/dbraw/zinc/24/93/24/1316249324.db2.gz VKPXZRUXQABBGW-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259495388 1316251563 /nfs/dbraw/zinc/25/15/63/1316251563.db2.gz GECXKOOLUWQAKV-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259500030 1316252271 /nfs/dbraw/zinc/25/22/71/1316252271.db2.gz FXOXOJYBVJNRER-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C#N)c1 ZINC001259502035 1316252907 /nfs/dbraw/zinc/25/29/07/1316252907.db2.gz PITDVRGRQJLAKV-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2)c(C(F)(F)F)c1 ZINC001259606851 1316261257 /nfs/dbraw/zinc/26/12/57/1316261257.db2.gz MPNXZXLIROBWHS-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC001259609437 1316261609 /nfs/dbraw/zinc/26/16/09/1316261609.db2.gz WQZDQYDVHYINAV-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c1 ZINC001259631985 1316264922 /nfs/dbraw/zinc/26/49/22/1316264922.db2.gz JWXZVNUEEBEZGE-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC001259738033 1316270103 /nfs/dbraw/zinc/27/01/03/1316270103.db2.gz JJNJGQNTVBNKDO-UHFFFAOYSA-N -1 0 325.393 2.723 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(C#N)c1 ZINC001259774859 1316276675 /nfs/dbraw/zinc/27/66/75/1316276675.db2.gz RNSQTEKVXHPZBN-UHFFFAOYSA-N -1 0 346.383 2.884 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774061 1316276684 /nfs/dbraw/zinc/27/66/84/1316276684.db2.gz CXIVKHLNNGKEFF-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259780326 1316277387 /nfs/dbraw/zinc/27/73/87/1316277387.db2.gz WYOGGRQCLGZSBJ-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259786845 1316278396 /nfs/dbraw/zinc/27/83/96/1316278396.db2.gz RRIDGCQXUAXPTC-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C#N)cn1 ZINC001259837689 1316285150 /nfs/dbraw/zinc/28/51/50/1316285150.db2.gz CYIGVYQTVDAJQS-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259849603 1316286714 /nfs/dbraw/zinc/28/67/14/1316286714.db2.gz DRSNLKYWBZPHSE-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC001259856218 1316287911 /nfs/dbraw/zinc/28/79/11/1316287911.db2.gz VUYSYSABUZEQKU-UHFFFAOYSA-N -1 0 333.800 2.896 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1 ZINC001259893000 1316294020 /nfs/dbraw/zinc/29/40/20/1316294020.db2.gz SENVIBLWMDVVBD-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC001259900772 1316295233 /nfs/dbraw/zinc/29/52/33/1316295233.db2.gz PNQGYSLGDGIVFO-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)sc1C(N)=O ZINC001259922810 1316298141 /nfs/dbraw/zinc/29/81/41/1316298141.db2.gz IUPYALNMUHUDFK-UHFFFAOYSA-N -1 0 340.401 2.581 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1ncc(Br)cc1C(F)(F)F ZINC001259922488 1316298204 /nfs/dbraw/zinc/29/82/04/1316298204.db2.gz LGAJUJITLTYFAZ-UHFFFAOYSA-N -1 0 345.140 2.791 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259988445 1316303736 /nfs/dbraw/zinc/30/37/36/1316303736.db2.gz MGGVAEXUJITCFS-UHFFFAOYSA-N -1 0 331.378 2.580 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC001260027831 1316308852 /nfs/dbraw/zinc/30/88/52/1316308852.db2.gz JJZZFXISMULGHU-UHFFFAOYSA-N -1 0 331.275 2.507 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1OC ZINC001260037236 1316309535 /nfs/dbraw/zinc/30/95/35/1316309535.db2.gz DWKMGINJKPXBPJ-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM CC(C)(C)c1nsc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC001260038133 1316309794 /nfs/dbraw/zinc/30/97/94/1316309794.db2.gz NTVQCHHYIMLSEI-UHFFFAOYSA-N -1 0 336.442 2.649 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)cc1 ZINC001260039008 1316310007 /nfs/dbraw/zinc/31/00/07/1316310007.db2.gz JSOHRMKWTGUXFB-UHFFFAOYSA-N -1 0 346.799 2.801 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2snc3cccnc32)cc1 ZINC001260039401 1316310189 /nfs/dbraw/zinc/31/01/89/1316310189.db2.gz ZVSRQZCGMCFIAR-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044720 1316310580 /nfs/dbraw/zinc/31/05/80/1316310580.db2.gz IQAPNPMQZVRGKH-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043772 1316310687 /nfs/dbraw/zinc/31/06/87/1316310687.db2.gz IHWOAGXCCOSNRV-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1C#N ZINC001260086055 1316314121 /nfs/dbraw/zinc/31/41/21/1316314121.db2.gz SDADOBCQGDYIEA-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)c2ccncc12 ZINC001260094868 1316315226 /nfs/dbraw/zinc/31/52/26/1316315226.db2.gz FLYXIOTWBRHQPC-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC001260129487 1316317874 /nfs/dbraw/zinc/31/78/74/1316317874.db2.gz IJTIVFYDVHDEMZ-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM C[C@@H](C#N)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260189730 1316321663 /nfs/dbraw/zinc/32/16/63/1316321663.db2.gz ZXKCUKZGOYPJJX-NSHDSACASA-N -1 0 330.365 2.813 20 30 EFEDRM Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227505 1316324285 /nfs/dbraw/zinc/32/42/85/1316324285.db2.gz ATTCLKCHGVZCHS-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1 ZINC001260232705 1316325347 /nfs/dbraw/zinc/32/53/47/1316325347.db2.gz DMXIOIQDKFFNES-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260278213 1316327923 /nfs/dbraw/zinc/32/79/23/1316327923.db2.gz QZLQXUYAYNRBSO-UHFFFAOYSA-N -1 0 328.727 2.795 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260285922 1316328158 /nfs/dbraw/zinc/32/81/58/1316328158.db2.gz QCWPYDUYPAZAPZ-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001260296977 1316330035 /nfs/dbraw/zinc/33/00/35/1316330035.db2.gz QGTJNBHLDWZZMK-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1 ZINC001260298288 1316330150 /nfs/dbraw/zinc/33/01/50/1316330150.db2.gz HFJZSSFXSJUEEZ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c1C#N ZINC001260298598 1316330235 /nfs/dbraw/zinc/33/02/35/1316330235.db2.gz XAEAWQZBHYJCDT-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001260298318 1316330604 /nfs/dbraw/zinc/33/06/04/1316330604.db2.gz HPUCTDKBIURENV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C#N ZINC001260354171 1316333945 /nfs/dbraw/zinc/33/39/45/1316333945.db2.gz SFZVAEMEZDGCDH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C#N ZINC001260388661 1316336482 /nfs/dbraw/zinc/33/64/82/1316336482.db2.gz SNGOYXHQFUCWFT-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1F ZINC001260388883 1316337029 /nfs/dbraw/zinc/33/70/29/1316337029.db2.gz GNPOAFWBGIJCNG-UHFFFAOYSA-N -1 0 333.369 2.613 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccn1 ZINC001260466265 1316340780 /nfs/dbraw/zinc/34/07/80/1316340780.db2.gz LTDJXKJYUMQHPG-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260495601 1316342347 /nfs/dbraw/zinc/34/23/47/1316342347.db2.gz DDCFVCZPEINDNS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cn1C ZINC001260547984 1316345159 /nfs/dbraw/zinc/34/51/59/1316345159.db2.gz IJGQTCRRYOXOFR-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cc1 ZINC001260566041 1316346397 /nfs/dbraw/zinc/34/63/97/1316346397.db2.gz CJUDRNQINSFEIE-UHFFFAOYSA-N -1 0 330.413 2.882 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001260572372 1316347075 /nfs/dbraw/zinc/34/70/75/1316347075.db2.gz QMCGWTADOJDGGA-UHFFFAOYSA-N -1 0 335.385 2.834 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)cc1C ZINC001260637921 1316352145 /nfs/dbraw/zinc/35/21/45/1316352145.db2.gz YSEYEBABRCDQSX-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2C#N)cc1C ZINC001260638457 1316352282 /nfs/dbraw/zinc/35/22/82/1316352282.db2.gz KOIJHARRVKGYLT-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)cc1C ZINC001260638838 1316352325 /nfs/dbraw/zinc/35/23/25/1316352325.db2.gz FUDPSVGOODACAA-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C#N ZINC001260651712 1316354768 /nfs/dbraw/zinc/35/47/68/1316354768.db2.gz JSHJVKYNQXZNGN-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1F ZINC001260662701 1316356441 /nfs/dbraw/zinc/35/64/41/1316356441.db2.gz PVWJTSOEGFEILF-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cc(C#N)ccn3)ccc2O1 ZINC001260712084 1316361355 /nfs/dbraw/zinc/36/13/55/1316361355.db2.gz JPBSRSZKXRXEAU-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)ccc1F ZINC001260760034 1316365079 /nfs/dbraw/zinc/36/50/79/1316365079.db2.gz ICQAQGWOKVBERT-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c1 ZINC001260771533 1316367073 /nfs/dbraw/zinc/36/70/73/1316367073.db2.gz QNQBFGOVXVNQKT-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1OC ZINC001260770918 1316367231 /nfs/dbraw/zinc/36/72/31/1316367231.db2.gz NXACWHDBRRBPHJ-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1 ZINC001260771754 1316367272 /nfs/dbraw/zinc/36/72/72/1316367272.db2.gz WNRXKFGYIMDXPI-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC001260779179 1316368167 /nfs/dbraw/zinc/36/81/67/1316368167.db2.gz QTXVBWPUBZSCIV-UHFFFAOYSA-N -1 0 336.800 2.834 20 30 EFEDRM CCc1cc(C#N)ccc1NS(=O)(=O)c1cccc(NC(C)=O)c1 ZINC001260810023 1316370496 /nfs/dbraw/zinc/37/04/96/1316370496.db2.gz RVRAPOLUZFDJMT-UHFFFAOYSA-N -1 0 343.408 2.880 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c1 ZINC001260812905 1316370929 /nfs/dbraw/zinc/37/09/29/1316370929.db2.gz RJMDXWYTDDGEGF-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM N#CC1(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)CCCC1 ZINC001260879262 1316375119 /nfs/dbraw/zinc/37/51/19/1316375119.db2.gz MLBLLXCYKSXTGF-UHFFFAOYSA-N -1 0 335.212 2.814 20 30 EFEDRM CC(C)C[C@H](C#N)NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260880224 1316375189 /nfs/dbraw/zinc/37/51/89/1316375189.db2.gz NPKQLIKULNHIDR-MRVPVSSYSA-N -1 0 337.228 2.916 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cc1Cl ZINC001260968838 1316379217 /nfs/dbraw/zinc/37/92/17/1316379217.db2.gz QCWLQUWOIONOFP-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cn1 ZINC001261004729 1316384167 /nfs/dbraw/zinc/38/41/67/1316384167.db2.gz FRUICSOAHUIUEL-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cn1 ZINC001261015230 1316384859 /nfs/dbraw/zinc/38/48/59/1316384859.db2.gz JTFQYSIFZFJDFL-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)s1 ZINC001261067422 1316387808 /nfs/dbraw/zinc/38/78/08/1316387808.db2.gz WINKWKUPJYNMMG-UHFFFAOYSA-N -1 0 340.773 2.610 20 30 EFEDRM Cn1c(C(=O)[O-])cc(Br)c1C=NNCc1ccccc1 ZINC001261648146 1316422654 /nfs/dbraw/zinc/42/26/54/1316422654.db2.gz UAZILMLUEMUZCG-UHFFFAOYSA-N -1 0 336.189 2.610 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001262178290 1316451032 /nfs/dbraw/zinc/45/10/32/1316451032.db2.gz WPVYKOXJZVCATN-GFCCVEGCSA-N -1 0 328.195 2.864 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001262941421 1316506012 /nfs/dbraw/zinc/50/60/12/1316506012.db2.gz KXYJGXJCNGDOND-AWEZNQCLSA-N -1 0 344.463 2.926 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n(C)n1 ZINC001263291186 1316527740 /nfs/dbraw/zinc/52/77/40/1316527740.db2.gz OQMGFZKAQCFOCE-LBPRGKRZSA-N -1 0 334.383 2.559 20 30 EFEDRM N#CCc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263375493 1316539129 /nfs/dbraw/zinc/53/91/29/1316539129.db2.gz QNYSNLTWQPVOHU-OAHLLOKOSA-N -1 0 327.347 2.768 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001263375632 1316539170 /nfs/dbraw/zinc/53/91/70/1316539170.db2.gz ULULMSZUSBMVAG-CYBMUJFWSA-N -1 0 334.383 2.654 20 30 EFEDRM Cc1ccc(C)n1-c1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C ZINC001263377612 1316539512 /nfs/dbraw/zinc/53/95/12/1316539512.db2.gz HCHOTGUQRLDRQM-ZDUSSCGKSA-N -1 0 337.358 2.852 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(C#N)c2C)c1 ZINC001263473571 1316544889 /nfs/dbraw/zinc/54/48/89/1316544889.db2.gz WFSUKIUJFBISGT-GOSISDBHSA-N -1 0 331.375 2.814 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(C#N)c2C)c1 ZINC001263473572 1316544893 /nfs/dbraw/zinc/54/48/93/1316544893.db2.gz WFSUKIUJFBISGT-SFHVURJKSA-N -1 0 331.375 2.814 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001319933515 1329039257 /nfs/dbraw/zinc/03/92/57/1329039257.db2.gz UYKAIPSIYDJRAO-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM C=CC[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001320088885 1329073665 /nfs/dbraw/zinc/07/36/65/1329073665.db2.gz HBZXPEIITIRVNM-OUZNOSRWSA-N -1 0 326.736 2.881 20 30 EFEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1-c1cnn(C)c1 ZINC001298339946 1323496899 /nfs/dbraw/zinc/49/68/99/1323496899.db2.gz SWVFCETYEFVBIV-UHFFFAOYSA-N -1 0 333.351 2.620 20 30 EFEDRM C=CC[C@@H](NC(=O)c1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001321206610 1329356763 /nfs/dbraw/zinc/35/67/63/1329356763.db2.gz PXAPEAHJGQIYJW-GFCCVEGCSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001321167047 1329351574 /nfs/dbraw/zinc/35/15/74/1329351574.db2.gz OYPCKYUOGPFNIG-CQSZACIVSA-N -1 0 330.409 2.807 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001321167603 1329351700 /nfs/dbraw/zinc/35/17/00/1329351700.db2.gz ZZTSGDKWEKGESF-PRHODGIISA-N -1 0 332.183 2.906 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(Cl)n1 ZINC001321224118 1329359462 /nfs/dbraw/zinc/35/94/62/1329359462.db2.gz URJJCAGBXLCYCT-UHFFFAOYSA-N -1 0 337.788 2.747 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321339391 1329375163 /nfs/dbraw/zinc/37/51/63/1329375163.db2.gz NGNQYAXJQBEYOC-MWLCHTKSSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC001321342217 1329375434 /nfs/dbraw/zinc/37/54/34/1329375434.db2.gz ZTQDJCFMTGYBID-AWEZNQCLSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC001321342218 1329375458 /nfs/dbraw/zinc/37/54/58/1329375458.db2.gz ZTQDJCFMTGYBID-CQSZACIVSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC001321657033 1329401350 /nfs/dbraw/zinc/40/13/50/1329401350.db2.gz AGVSLXSHAVPINL-OAHLLOKOSA-N -1 0 327.384 2.557 20 30 EFEDRM C=CC[C@@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001321657810 1329401656 /nfs/dbraw/zinc/40/16/56/1329401656.db2.gz KZHFGIFIGJJXTH-CYBMUJFWSA-N -1 0 330.409 2.801 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)[O-] ZINC001321657533 1329401679 /nfs/dbraw/zinc/40/16/79/1329401679.db2.gz ISOMBYNSSWHTIX-CQSZACIVSA-N -1 0 337.803 2.534 20 30 EFEDRM C=CC[C@H](NC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001321657811 1329401683 /nfs/dbraw/zinc/40/16/83/1329401683.db2.gz KZHFGIFIGJJXTH-ZDUSSCGKSA-N -1 0 330.409 2.801 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)s1 ZINC001317797949 1328385841 /nfs/dbraw/zinc/38/58/41/1328385841.db2.gz JXSIYIFWSJINBF-ZZXKWVIFSA-N -1 0 325.349 2.923 20 30 EFEDRM CC(=O)N1Cc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC001322356435 1329451623 /nfs/dbraw/zinc/45/16/23/1329451623.db2.gz LEXIHIJCVXJLNF-UHFFFAOYSA-N -1 0 325.324 2.913 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC001322600182 1329470857 /nfs/dbraw/zinc/47/08/57/1329470857.db2.gz DOHLAPMIXDIKQP-OAHLLOKOSA-N -1 0 341.411 2.929 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC001322598418 1329471133 /nfs/dbraw/zinc/47/11/33/1329471133.db2.gz CRGPAIMVKQDCKO-KRWDZBQOSA-N -1 0 326.396 2.912 20 30 EFEDRM C=CC[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001322602146 1329471658 /nfs/dbraw/zinc/47/16/58/1329471658.db2.gz UQRFNSNKEFKNQV-ZDUSSCGKSA-N -1 0 334.759 2.683 20 30 EFEDRM O=C(Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)C(F)F ZINC001323923185 1329585411 /nfs/dbraw/zinc/58/54/11/1329585411.db2.gz NBSUAVVURJBIMJ-UHFFFAOYSA-N -1 0 344.183 2.659 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001324653374 1329648400 /nfs/dbraw/zinc/64/84/00/1329648400.db2.gz ZEFWQQCHTIUPDD-MWLCHTKSSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CC[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001325142452 1329673167 /nfs/dbraw/zinc/67/31/67/1329673167.db2.gz DODIJQPSVNSMDL-AWEZNQCLSA-N -1 0 348.399 2.722 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001326735410 1330355786 /nfs/dbraw/zinc/35/57/86/1330355786.db2.gz GMQQQUAVCHTVJP-OAHLLOKOSA-N -1 0 343.383 2.603 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC001326930566 1330385511 /nfs/dbraw/zinc/38/55/11/1330385511.db2.gz LEYNCIHEHAXZEF-YPMHNXCESA-N -1 0 340.807 2.826 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1c(OC)ccc2ccccc21)C(=O)[O-] ZINC001326929871 1330386061 /nfs/dbraw/zinc/38/60/61/1330386061.db2.gz HJWIZRLMLRTEAU-HNNXBMFYSA-N -1 0 328.368 2.677 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)[O-] ZINC001327014673 1330399417 /nfs/dbraw/zinc/39/94/17/1330399417.db2.gz ZHRWPPGVCNCYHL-CYBMUJFWSA-N -1 0 343.383 2.793 20 30 EFEDRM C=CC[C@H](NC(=O)c1sc(Cc2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001327013387 1330399500 /nfs/dbraw/zinc/39/95/00/1330399500.db2.gz KWJOAYBHNUEOAR-ZDUSSCGKSA-N -1 0 348.399 2.941 20 30 EFEDRM C=CC[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)C(=O)[O-] ZINC001327818779 1330518086 /nfs/dbraw/zinc/51/80/86/1330518086.db2.gz LUVIPFPPRAIOTB-SNVBAGLBSA-N -1 0 336.438 2.868 20 30 EFEDRM CC(C)(O)CNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001329189953 1330678554 /nfs/dbraw/zinc/67/85/54/1330678554.db2.gz AYCYQKUAZDICGK-UHFFFAOYSA-N -1 0 342.395 2.658 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001329997799 1330760247 /nfs/dbraw/zinc/76/02/47/1330760247.db2.gz DFGSVSRJLRLKMO-UHFFFAOYSA-N -1 0 348.251 2.740 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@@](C)(OC)c1ccccc1 ZINC001331922289 1330891433 /nfs/dbraw/zinc/89/14/33/1330891433.db2.gz QZOQOTLQNPEOJZ-QGZVFWFLSA-N -1 0 339.457 2.597 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(F)c1)C(=O)[O-] ZINC001332378214 1330964925 /nfs/dbraw/zinc/96/49/25/1330964925.db2.gz ZVQBAZZVMBYBLM-CQSZACIVSA-N -1 0 335.379 2.967 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-] ZINC001332474751 1330976409 /nfs/dbraw/zinc/97/64/09/1330976409.db2.gz XIKMTTQYYGKUFP-CHWSQXEVSA-N -1 0 336.363 2.756 20 30 EFEDRM C#CC[C@@H](NC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC001332931797 1331049142 /nfs/dbraw/zinc/04/91/42/1331049142.db2.gz HZPDOSCDKOVWIS-GOSISDBHSA-N -1 0 348.402 2.672 20 30 EFEDRM C[C@@H](Oc1cccc(C=NN[C@H]2CC(C)(C)OC2(C)C)c1)C(=O)[O-] ZINC001333669106 1331191099 /nfs/dbraw/zinc/19/10/99/1331191099.db2.gz AUACNNZXRPRXRO-DOMZBBRYSA-N -1 0 334.416 2.808 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)c1 ZINC001333683954 1331194228 /nfs/dbraw/zinc/19/42/28/1331194228.db2.gz XROLRDCCWRXVLF-UHFFFAOYSA-N -1 0 328.821 2.927 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001334885837 1331324789 /nfs/dbraw/zinc/32/47/89/1331324789.db2.gz CSXDGVKSEHHEBV-RWMBFGLXSA-N -1 0 342.317 2.890 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)ncc2C)n1 ZINC001336270888 1331453314 /nfs/dbraw/zinc/45/33/14/1331453314.db2.gz UCYOLIVPJQDQCK-NSHDSACASA-N -1 0 349.799 2.842 20 30 EFEDRM C[C@H](Oc1ccc(C=NN[C@H]2CC(C)(C)OC2(C)C)cc1)C(=O)[O-] ZINC001337007443 1331526437 /nfs/dbraw/zinc/52/64/37/1331526437.db2.gz NAYDGBNWAGQDPC-WFASDCNBSA-N -1 0 334.416 2.808 20 30 EFEDRM C[C@H](CN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C)c1ccccc1 ZINC001338206894 1331672225 /nfs/dbraw/zinc/67/22/25/1331672225.db2.gz YUEJKHUDSFGNED-CYBMUJFWSA-N -1 0 348.410 2.694 20 30 EFEDRM C[C@H]1c2ccccc2CCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001338206653 1331672455 /nfs/dbraw/zinc/67/24/55/1331672455.db2.gz VAFFGBFBNZUCSD-LBPRGKRZSA-N -1 0 346.394 2.578 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC=CCC1 ZINC001338795723 1331738159 /nfs/dbraw/zinc/73/81/59/1331738159.db2.gz PWIMQJPKXOOOKH-UHFFFAOYSA-N -1 0 327.344 2.511 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001338852497 1331747283 /nfs/dbraw/zinc/74/72/83/1331747283.db2.gz XLGSUHLVOZDMTC-JSGCOSHPSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1Cc2ccccc2C1 ZINC001340207076 1332153979 /nfs/dbraw/zinc/15/39/79/1332153979.db2.gz JJIBCFNCEUPOLK-UHFFFAOYSA-N -1 0 336.399 2.573 20 30 EFEDRM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC=C)C1 ZINC001340206725 1332154016 /nfs/dbraw/zinc/15/40/16/1332154016.db2.gz AEFMWFRBYKFNHT-CQSZACIVSA-N -1 0 342.447 2.846 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)C[C@@H](C)CC ZINC001340206993 1332154131 /nfs/dbraw/zinc/15/41/31/1332154131.db2.gz HMOPDAJYZOLGSR-ZDUSSCGKSA-N -1 0 332.452 2.926 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001340206897 1332154142 /nfs/dbraw/zinc/15/41/42/1332154142.db2.gz FAKLZJDGGMJFIY-YNEHKIRRSA-N -1 0 330.436 2.534 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001340206894 1332154229 /nfs/dbraw/zinc/15/42/29/1332154229.db2.gz FAKLZJDGGMJFIY-AVGNSLFASA-N -1 0 330.436 2.534 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2ccc(Cl)cc2)nn1C ZINC001341788073 1332283766 /nfs/dbraw/zinc/28/37/66/1332283766.db2.gz WNKFKZJUHXQZEM-CYBMUJFWSA-N -1 0 344.802 2.588 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c(CC)c1 ZINC001341802993 1332285337 /nfs/dbraw/zinc/28/53/37/1332285337.db2.gz PRVPCFVMAILIHS-KRWDZBQOSA-N -1 0 330.428 2.677 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncc(C)cc2C)n1 ZINC001341802528 1332285523 /nfs/dbraw/zinc/28/55/23/1332285523.db2.gz NRJHHUVYNAAPOW-LLVKDONJSA-N -1 0 329.381 2.822 20 30 EFEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001341818718 1332286649 /nfs/dbraw/zinc/28/66/49/1332286649.db2.gz ZOFGTRCPSJRNAE-OAHLLOKOSA-N -1 0 327.347 2.882 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]1CC ZINC001342248701 1332323835 /nfs/dbraw/zinc/32/38/35/1332323835.db2.gz VHOYERDKKBJGPV-ZDUSSCGKSA-N -1 0 330.436 2.822 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1nsc2ccccc21 ZINC001343474520 1332349373 /nfs/dbraw/zinc/34/93/73/1332349373.db2.gz RJAYIKARXDLHFV-ZDUSSCGKSA-N -1 0 345.424 2.550 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@H](C)C1CC1 ZINC001343508851 1332352391 /nfs/dbraw/zinc/35/23/91/1332352391.db2.gz JRDLVAQDHUKHET-GFCCVEGCSA-N -1 0 338.415 2.728 20 30 EFEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2o1 ZINC001343588227 1332360414 /nfs/dbraw/zinc/36/04/14/1332360414.db2.gz OVRIADGEKLCHLR-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001344322415 1332441298 /nfs/dbraw/zinc/44/12/98/1332441298.db2.gz OHAANINLEVDBPB-LLVKDONJSA-N -1 0 342.790 2.532 20 30 EFEDRM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc(N)c2ccccc2n1 ZINC001344542029 1332462465 /nfs/dbraw/zinc/46/24/65/1332462465.db2.gz NVJZCKREBXOGMV-OAHLLOKOSA-N -1 0 342.358 2.864 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc([N+](=O)[O-])c1 ZINC001344557578 1332463568 /nfs/dbraw/zinc/46/35/68/1332463568.db2.gz KDWYGEXHKPSMMB-CQSZACIVSA-N -1 0 347.334 2.919 20 30 EFEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC001344849753 1332487615 /nfs/dbraw/zinc/48/76/15/1332487615.db2.gz BSUDUKAQZSECSC-DGCLKSJQSA-N -1 0 331.379 2.968 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CCC2)n1 ZINC001346078237 1332597264 /nfs/dbraw/zinc/59/72/64/1332597264.db2.gz SVBFQWKXSZIUHL-LBPRGKRZSA-N -1 0 339.351 2.912 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2cc(OC)ccc2c1 ZINC001346199233 1332610435 /nfs/dbraw/zinc/61/04/35/1332610435.db2.gz QTMOWEJYMPIYTF-INIZCTEOSA-N -1 0 339.395 2.872 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1 ZINC001347049676 1332714285 /nfs/dbraw/zinc/71/42/85/1332714285.db2.gz SQOLIKZJNRFIPH-CQSZACIVSA-N -1 0 339.395 2.999 20 30 EFEDRM C#CCN(CC1CC1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001349661741 1332981309 /nfs/dbraw/zinc/98/13/09/1332981309.db2.gz HRFATKXLXFBUSB-UHFFFAOYSA-N -1 0 326.165 2.779 20 30 EFEDRM C=CC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001350769612 1333129556 /nfs/dbraw/zinc/12/95/56/1333129556.db2.gz UUCHSJJJXZUHEH-VXGBXAGGSA-N -1 0 332.183 2.562 20 30 EFEDRM C#CC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC001351034250 1333170102 /nfs/dbraw/zinc/17/01/02/1333170102.db2.gz DMTAKTLUJHSFEH-UHFFFAOYSA-N -1 0 329.787 2.717 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCCCC1 ZINC001351656928 1333264490 /nfs/dbraw/zinc/26/44/90/1333264490.db2.gz PWYRYHHNKGEHSA-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 ZINC000847532878 1333855481 /nfs/dbraw/zinc/85/54/81/1333855481.db2.gz DHEQQMCARRPCEA-UHFFFAOYSA-N -1 0 338.379 2.813 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1 ZINC000847623107 1334019249 /nfs/dbraw/zinc/01/92/49/1334019249.db2.gz WTWLGLDLBOXJRN-KRWDZBQOSA-N -1 0 328.412 2.818 20 30 EFEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2O1 ZINC000847625211 1334022255 /nfs/dbraw/zinc/02/22/55/1334022255.db2.gz FMEPPUSQHOXEAP-HNNXBMFYSA-N -1 0 326.396 2.781 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847626053 1334024927 /nfs/dbraw/zinc/02/49/27/1334024927.db2.gz ZFEMZOWBGLNVFO-CYBMUJFWSA-N -1 0 331.803 2.994 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)ccc1F ZINC001200364557 1334102306 /nfs/dbraw/zinc/10/23/06/1334102306.db2.gz CFBNCLCQQXHBSF-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)ccc1F ZINC001200560602 1334122673 /nfs/dbraw/zinc/12/26/73/1334122673.db2.gz YVCHWBXSXJYKLA-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@]2(C)CC2(Cl)Cl)cc1C#N ZINC001354884324 1334573042 /nfs/dbraw/zinc/57/30/42/1334573042.db2.gz GDBRRKXQCCEWGE-LBPRGKRZSA-N -1 0 346.239 2.694 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C=NNc2ccc(CC(=O)[O-])cc2)c1C ZINC000848414629 1334712508 /nfs/dbraw/zinc/71/25/08/1334712508.db2.gz AKWXGNBHRGMYOB-UHFFFAOYSA-N -1 0 343.383 2.881 20 30 EFEDRM C[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](n2cncn2)C1 ZINC000848414902 1334712592 /nfs/dbraw/zinc/71/25/92/1334712592.db2.gz TUHHYQHTNVQQJP-MLGOLLRUSA-N -1 0 327.388 2.734 20 30 EFEDRM C[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](n2cncn2)C1 ZINC000848414900 1334712675 /nfs/dbraw/zinc/71/26/75/1334712675.db2.gz TUHHYQHTNVQQJP-LRDDRELGSA-N -1 0 327.388 2.734 20 30 EFEDRM C[C@H]1C(N=Nc2ncc(Br)cn2)CC[C@@H]1CC(=O)[O-] ZINC000848419885 1334714423 /nfs/dbraw/zinc/71/44/23/1334714423.db2.gz IEQJJISPISDVNI-HTQZYQBOSA-N -1 0 327.182 2.528 20 30 EFEDRM N#Cc1cc(NCc2ccc(O)c(F)c2)ccc1N1CCC(O)CC1 ZINC001355234494 1334722167 /nfs/dbraw/zinc/72/21/67/1334722167.db2.gz XNARHVQMSOWKPU-UHFFFAOYSA-N -1 0 341.386 2.976 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nn1C ZINC001356028899 1334934734 /nfs/dbraw/zinc/93/47/34/1334934734.db2.gz GDRRHBDPORBLPA-LBPRGKRZSA-N -1 0 334.383 2.559 20 30 EFEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)c3nccn3C)ccc2c1 ZINC001357598199 1335319532 /nfs/dbraw/zinc/31/95/32/1335319532.db2.gz CFJFQPNVMZVSSV-MRXNPFEDSA-N -1 0 333.347 2.787 20 30 EFEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1cccc(F)n1 ZINC001357598642 1335319536 /nfs/dbraw/zinc/31/95/36/1335319536.db2.gz JQNFEIKDKKAXFC-SECBINFHSA-N -1 0 325.328 2.624 20 30 EFEDRM C=CCCNC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000849237966 1335574374 /nfs/dbraw/zinc/57/43/74/1335574374.db2.gz LXXGUKIRAJIXBF-CQSZACIVSA-N -1 0 341.205 2.624 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccnn2CC2CC2)c1 ZINC000849243644 1335575842 /nfs/dbraw/zinc/57/58/42/1335575842.db2.gz WLRHPUAIZKQLKQ-VOTSOKGWSA-N -1 0 326.352 2.653 20 30 EFEDRM C=CC[C@@H](NC(=O)CCCc1ccc(Br)s1)C(=O)[O-] ZINC000150150329 1335943740 /nfs/dbraw/zinc/94/37/40/1335943740.db2.gz XPJGXOHVADXOQV-SNVBAGLBSA-N -1 0 346.246 2.979 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001361344537 1336009837 /nfs/dbraw/zinc/00/98/37/1336009837.db2.gz OGYKAUIGLYYIDW-UHFFFAOYSA-N -1 0 340.364 2.513 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2c(C)cc(C)nc2C)cc1C#N ZINC001361699226 1336280354 /nfs/dbraw/zinc/28/03/54/1336280354.db2.gz BLBVIANCQLQWPU-UHFFFAOYSA-N -1 0 328.397 2.953 20 30 EFEDRM CCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccc(C#N)cc1 ZINC001361733784 1336302807 /nfs/dbraw/zinc/30/28/07/1336302807.db2.gz JOUHJJMBJBRDQO-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2OCCF)cc1C#N ZINC001361839347 1336368558 /nfs/dbraw/zinc/36/85/58/1336368558.db2.gz MCLDZADXJJBNDQ-UHFFFAOYSA-N -1 0 347.371 2.981 20 30 EFEDRM N#CCc1ccc(NC(=O)c2ncc(Br)cc2[O-])cc1 ZINC001362033030 1336473347 /nfs/dbraw/zinc/47/33/47/1336473347.db2.gz SWEQGBGBJQBKFA-UHFFFAOYSA-N -1 0 332.157 2.868 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC001362584093 1336663019 /nfs/dbraw/zinc/66/30/19/1336663019.db2.gz ZXLBVLLWZKIIJQ-UONOGXRCSA-N -1 0 329.425 2.641 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC001362584089 1336663163 /nfs/dbraw/zinc/66/31/63/1336663163.db2.gz ZXLBVLLWZKIIJQ-KGLIPLIRSA-N -1 0 329.425 2.641 20 30 EFEDRM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC001363156366 1336808472 /nfs/dbraw/zinc/80/84/72/1336808472.db2.gz RWUMBEPKBVKWEX-UHFFFAOYSA-N -1 0 337.379 2.902 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)cc(C)c2C#N)cc1C#N ZINC001417565677 1373040321 /nfs/dbraw/zinc/04/03/21/1373040321.db2.gz WOIOCCORGNVILJ-UHFFFAOYSA-N -1 0 339.380 2.517 20 30 EFEDRM COc1ccc(NC(=O)c2ncc(Br)cc2[O-])cc1C#N ZINC001418980215 1374745334 /nfs/dbraw/zinc/74/53/34/1374745334.db2.gz FMZNQUJAHNOFQT-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2cc(C)cc(C)c2)cc1C#N ZINC001433531366 1386925464 /nfs/dbraw/zinc/92/54/64/1386925464.db2.gz PLQUWYCMRBZQSX-UHFFFAOYSA-N -1 0 327.409 2.928 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)c1c[n-]c3ccccc3c1=O)CCCC2 ZINC001458324363 1395447177 /nfs/dbraw/zinc/44/71/77/1395447177.db2.gz PVQYSTXQQMORFY-UHFFFAOYSA-N -1 0 344.374 2.926 20 30 EFEDRM Cn1c(=O)[n-]c(Sc2nc(C3CCCCC3)cs2)c(C#N)c1=O ZINC001458553232 1395496416 /nfs/dbraw/zinc/49/64/16/1395496416.db2.gz YJFPJDBDCBKGMU-UHFFFAOYSA-N -1 0 348.453 2.601 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)O[C@@H](C)c2cncc(F)c2)cc1C#N ZINC001460801532 1396258824 /nfs/dbraw/zinc/25/88/24/1396258824.db2.gz OAYFAPJSAGIRGO-QMMMGPOBSA-N -1 0 333.344 2.833 20 30 EFEDRM N#Cc1nc(NC(=O)c2c3c(sc2-n2cccc2)CCC3)[n-]c1C#N ZINC001469560847 1397038562 /nfs/dbraw/zinc/03/85/62/1397038562.db2.gz MTOLSKLGYSMZLD-UHFFFAOYSA-N -1 0 348.391 2.746 20 30 EFEDRM Cn1c(=O)[n-]c(Oc2ccc(Cl)c3ccccc23)c(C#N)c1=O ZINC001472640087 1397265005 /nfs/dbraw/zinc/26/50/05/1397265005.db2.gz QPFQKGVUPLZVIA-UHFFFAOYSA-N -1 0 327.727 2.544 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826384402 1427534778 /nfs/dbraw/zinc/53/47/78/1427534778.db2.gz UBQICCRKTIOMCG-DJWKRKHSSA-N -1 0 325.328 2.835 20 30 EFEDRM N#Cc1ccc(COc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822826424 1428237123 /nfs/dbraw/zinc/23/71/23/1428237123.db2.gz XNJCQUDAWLDTKQ-UHFFFAOYSA-N -1 0 343.293 2.919 20 30 EFEDRM CCCCCCCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736444128 1428253839 /nfs/dbraw/zinc/25/38/39/1428253839.db2.gz DHBMLGIEQUJZHV-UHFFFAOYSA-N -1 0 331.420 2.722 20 30 EFEDRM C=C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000735402436 1428337736 /nfs/dbraw/zinc/33/77/36/1428337736.db2.gz VNOIQLIZVINFJL-UHFFFAOYSA-N -1 0 329.408 2.607 20 30 EFEDRM N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000822833826 1428603642 /nfs/dbraw/zinc/60/36/42/1428603642.db2.gz WQUDQLFEVPUMLJ-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736448069 1428638125 /nfs/dbraw/zinc/63/81/25/1428638125.db2.gz JLJVKDAXWKAVPR-NKSUMMKUSA-N -1 0 335.452 2.797 20 30 EFEDRM C=CCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735408385 1428746546 /nfs/dbraw/zinc/74/65/46/1428746546.db2.gz KJLBZRLKSBGFFU-UHFFFAOYSA-N -1 0 326.385 2.895 20 30 EFEDRM CCn1cc([C@H]2OCC[C@@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552447271 1414455460 /nfs/dbraw/zinc/45/54/60/1414455460.db2.gz QSTCUHNNYXTJHN-CJNGLKHVSA-N -1 0 328.372 2.777 20 30 EFEDRM CCn1cc([C@@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552449161 1414456323 /nfs/dbraw/zinc/45/63/23/1414456323.db2.gz YLGXZQQAIUHNLC-CZUORRHYSA-N -1 0 328.372 2.777 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552453682 1414456720 /nfs/dbraw/zinc/45/67/20/1414456720.db2.gz LYAFJALDKJKSEK-DOMZBBRYSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452226 1414457030 /nfs/dbraw/zinc/45/70/30/1414457030.db2.gz CXBVWRIHTCKWTP-BZNIZROVSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552762390 1414549960 /nfs/dbraw/zinc/54/99/60/1414549960.db2.gz DZELCYLQOCWRRL-WFASDCNBSA-N -1 0 346.362 2.916 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000824034438 1428817471 /nfs/dbraw/zinc/81/74/71/1428817471.db2.gz JRSIUHULGSYYAS-SNVBAGLBSA-N -1 0 326.385 2.831 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001556542233 1415075314 /nfs/dbraw/zinc/07/53/14/1415075314.db2.gz ZXAOBJHOTLEHTG-LBPRGKRZSA-N -1 0 347.378 2.866 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccc3ccccc3c2O)[n-]c1C#N ZINC001557255738 1415115641 /nfs/dbraw/zinc/11/56/41/1415115641.db2.gz LMXXHWJLIRYVMD-UHFFFAOYSA-N -1 0 331.335 2.583 20 30 EFEDRM Cc1cc2c(NC(=O)c3n[n-]c4ccccc4c3=O)n[nH]c2cc1C#N ZINC001557351965 1415121726 /nfs/dbraw/zinc/12/17/26/1415121726.db2.gz JTBDNUARRUGRBR-UHFFFAOYSA-N -1 0 344.334 2.644 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(Cl)c1 ZINC001557739577 1415142085 /nfs/dbraw/zinc/14/20/85/1415142085.db2.gz NGZGJPWOKQVBSA-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM N#CCCCOc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826381383 1428938636 /nfs/dbraw/zinc/93/86/36/1428938636.db2.gz JSRGDMIVQSDCOJ-UHFFFAOYSA-N -1 0 335.371 2.556 20 30 EFEDRM O=C(OCC#Cc1ccccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826462967 1428944574 /nfs/dbraw/zinc/94/45/74/1428944574.db2.gz OWAWMAWNDPIZSB-UHFFFAOYSA-N -1 0 338.754 2.729 20 30 EFEDRM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820329761 1428950324 /nfs/dbraw/zinc/95/03/24/1428950324.db2.gz ZQJJYVHLGDBEOU-CYBMUJFWSA-N -1 0 346.394 2.548 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1nc2ccccc2s1 ZINC000122837003 1417064243 /nfs/dbraw/zinc/06/42/43/1417064243.db2.gz GBNIVHMQTAHHBL-LLVKDONJSA-N -1 0 338.392 2.554 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000159779069 1418286408 /nfs/dbraw/zinc/28/64/08/1418286408.db2.gz NVYMSANJCMPYJV-CABZTGNLSA-N -1 0 341.205 2.839 20 30 EFEDRM CCOc1ccc(O)c(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821421774 1429282411 /nfs/dbraw/zinc/28/24/11/1429282411.db2.gz FGYOKNQEDZVAFY-GRSHGNNSSA-N -1 0 341.346 2.729 20 30 EFEDRM N#Cc1ccc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384641 1429300061 /nfs/dbraw/zinc/30/00/61/1429300061.db2.gz CZOCGLVOUMWZMR-CQSZACIVSA-N -1 0 341.758 2.504 20 30 EFEDRM CC(C)CCN(CCC#N)CCOc1ccccc1-c1nn[n-]n1 ZINC000820076899 1429307852 /nfs/dbraw/zinc/30/78/52/1429307852.db2.gz WBPUDRBLWNIMAA-UHFFFAOYSA-N -1 0 328.420 2.507 20 30 EFEDRM C=CCCCN(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735408474 1429324499 /nfs/dbraw/zinc/32/44/99/1429324499.db2.gz MDEFRUAQPOEUCV-UHFFFAOYSA-N -1 0 343.431 2.840 20 30 EFEDRM CCCCCCCCNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825271721 1429342994 /nfs/dbraw/zinc/34/29/94/1429342994.db2.gz NDIKPCGDXHFBJU-UHFFFAOYSA-N -1 0 331.420 2.722 20 30 EFEDRM CCc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825704416 1429392423 /nfs/dbraw/zinc/39/24/23/1429392423.db2.gz HFTSQZYBSNVFIR-UHFFFAOYSA-N -1 0 327.779 2.924 20 30 EFEDRM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C)(C#N)CC1 ZINC000826304436 1429451521 /nfs/dbraw/zinc/45/15/21/1429451521.db2.gz LALFVPIDQBXTDB-UHFFFAOYSA-N -1 0 333.399 2.853 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cnc12 ZINC000826307987 1429451603 /nfs/dbraw/zinc/45/16/03/1429451603.db2.gz DOGPFHHVYFDOHB-PLNGDYQASA-N -1 0 336.380 2.780 20 30 EFEDRM N#Cc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000737730009 1423288358 /nfs/dbraw/zinc/28/83/58/1423288358.db2.gz CPIFHMNYXSIFKZ-UHFFFAOYSA-N -1 0 345.288 2.764 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1COc1c(C)cc(C#N)cc1C ZINC000826173191 1423330669 /nfs/dbraw/zinc/33/06/69/1423330669.db2.gz REJNLLRPOQYFRR-UHFFFAOYSA-N -1 0 335.367 2.943 20 30 EFEDRM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(C)o1 ZINC000826266477 1423402984 /nfs/dbraw/zinc/40/29/84/1423402984.db2.gz PTRVBMGJVIQXHP-UHFFFAOYSA-N -1 0 329.364 2.709 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825267634 1423500728 /nfs/dbraw/zinc/50/07/28/1423500728.db2.gz LCMLXSRLNWYXJQ-AWEZNQCLSA-N -1 0 348.382 2.916 20 30 EFEDRM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381793 1423703964 /nfs/dbraw/zinc/70/39/64/1423703964.db2.gz ZZQFKUFYGPJZRN-ZDUSSCGKSA-N -1 0 348.362 2.797 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(C)c1F ZINC000826260440 1423768516 /nfs/dbraw/zinc/76/85/16/1423768516.db2.gz OAEZTIUZXOSJDA-UHFFFAOYSA-N -1 0 336.330 2.747 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000823862161 1423913574 /nfs/dbraw/zinc/91/35/74/1423913574.db2.gz ZBZHBNSGNKZVAX-UHFFFAOYSA-N -1 0 331.379 2.823 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737709343 1423919449 /nfs/dbraw/zinc/91/94/49/1423919449.db2.gz NAPKUALUFVBQTE-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)Cc2cccc(C#N)c2)c1 ZINC000824010915 1423943728 /nfs/dbraw/zinc/94/37/28/1423943728.db2.gz UKRAXZSUDQTTRA-UHFFFAOYSA-N -1 0 332.367 2.577 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000822822884 1424249360 /nfs/dbraw/zinc/24/93/60/1424249360.db2.gz GLBDMBKGRYHWNX-UHFFFAOYSA-N -1 0 342.315 2.937 20 30 EFEDRM C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495586 1424318986 /nfs/dbraw/zinc/31/89/86/1424318986.db2.gz IITFQJCKXHMBPI-GFCCVEGCSA-N -1 0 333.351 2.585 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380134 1424770029 /nfs/dbraw/zinc/77/00/29/1424770029.db2.gz LUXKJKJAYBOIAK-LLVKDONJSA-N -1 0 333.355 2.621 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826190763 1424932032 /nfs/dbraw/zinc/93/20/32/1424932032.db2.gz MKLXVBVCPLQJFR-RQOWECAXSA-N -1 0 330.344 2.972 20 30 EFEDRM Fc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ncccc2c1 ZINC000822748341 1424946471 /nfs/dbraw/zinc/94/64/71/1424946471.db2.gz UYSABBBBZOOHLD-UHFFFAOYSA-N -1 0 347.357 2.678 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C#N)cc1 ZINC000823954090 1424971100 /nfs/dbraw/zinc/97/11/00/1424971100.db2.gz YUMXWMFZXBSERQ-UHFFFAOYSA-N -1 0 338.762 2.623 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819739611 1425042992 /nfs/dbraw/zinc/04/29/92/1425042992.db2.gz AQOHCCSENDDPPX-LBPRGKRZSA-N -1 0 329.429 2.548 20 30 EFEDRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820054535 1425048536 /nfs/dbraw/zinc/04/85/36/1425048536.db2.gz AVLZWGOFTFTVTD-LBPRGKRZSA-N -1 0 342.403 2.518 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@H](C)SC ZINC000823909385 1425075850 /nfs/dbraw/zinc/07/58/50/1425075850.db2.gz BADNJDGJBNZPEG-ZDUSSCGKSA-N -1 0 345.472 2.913 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000819772736 1425109854 /nfs/dbraw/zinc/10/98/54/1425109854.db2.gz KSJSDOXCYUKDAL-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203926 1425152289 /nfs/dbraw/zinc/15/22/89/1425152289.db2.gz WQSXRPYUPRIVNJ-SREVYHEPSA-N -1 0 325.397 2.880 20 30 EFEDRM CN(C)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736773846 1425169584 /nfs/dbraw/zinc/16/95/84/1425169584.db2.gz PYJJJCTZNALFIF-UHFFFAOYSA-N -1 0 325.351 2.518 20 30 EFEDRM Cc1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cccc1-c1nn[n-]n1 ZINC000826242258 1425190330 /nfs/dbraw/zinc/19/03/30/1425190330.db2.gz HKDQMSMTSYJVSG-UHFFFAOYSA-N -1 0 344.378 2.983 20 30 EFEDRM N#Cc1cccc(SCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000822837689 1425265427 /nfs/dbraw/zinc/26/54/27/1425265427.db2.gz RZZMZJXIRAAHFQ-UHFFFAOYSA-N -1 0 342.409 2.531 20 30 EFEDRM CCOc1cccc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1O ZINC000821427386 1425295339 /nfs/dbraw/zinc/29/53/39/1425295339.db2.gz RVEIXYBIQCJHOA-DJKKODMXSA-N -1 0 341.346 2.729 20 30 EFEDRM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403610 1425356916 /nfs/dbraw/zinc/35/69/16/1425356916.db2.gz XDKDTJSYPBHXEK-ALCCZGGFSA-N -1 0 334.314 2.550 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822016279 1425454283 /nfs/dbraw/zinc/45/42/83/1425454283.db2.gz WTAKPVRYQJZCOI-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716201 1425500638 /nfs/dbraw/zinc/50/06/38/1425500638.db2.gz MCPMYEIZEILRGQ-ZDUSSCGKSA-N -1 0 344.378 2.797 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)SC ZINC000823909962 1425582906 /nfs/dbraw/zinc/58/29/06/1425582906.db2.gz UJZLRKBNZUXXGC-LBPRGKRZSA-N -1 0 331.445 2.523 20 30 EFEDRM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822833876 1425625249 /nfs/dbraw/zinc/62/52/49/1425625249.db2.gz YTUFRNSTKMLZNM-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1O ZINC000821703059 1425718170 /nfs/dbraw/zinc/71/81/70/1425718170.db2.gz MVYASJGETRWYIR-ZZXKWVIFSA-N -1 0 328.353 2.539 20 30 EFEDRM CN(CCC#N)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825914770 1425771027 /nfs/dbraw/zinc/77/10/27/1425771027.db2.gz NHAOHKLXMCPJPQ-UHFFFAOYSA-N -1 0 348.366 2.645 20 30 EFEDRM Cc1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822091351 1425774287 /nfs/dbraw/zinc/77/42/87/1425774287.db2.gz QALJHMWPMNHSQV-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736351318 1425840925 /nfs/dbraw/zinc/84/09/25/1425840925.db2.gz FKWMDGZBQKIVMO-CQSZACIVSA-N -1 0 346.394 2.946 20 30 EFEDRM C#CCOc1ccccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000819709786 1425855330 /nfs/dbraw/zinc/85/53/30/1425855330.db2.gz PCJPRVUYKGFNRE-UHFFFAOYSA-N -1 0 345.362 2.710 20 30 EFEDRM C=CCCOc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819740069 1425870421 /nfs/dbraw/zinc/87/04/21/1425870421.db2.gz NLDSEXCVTJTHEE-UHFFFAOYSA-N -1 0 325.166 2.593 20 30 EFEDRM Cc1ccnc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309978 1425881552 /nfs/dbraw/zinc/88/15/52/1425881552.db2.gz HZJPVDRIYWBSAY-HOTGVXAUSA-N -1 0 345.410 2.846 20 30 EFEDRM C=CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823903976 1425912094 /nfs/dbraw/zinc/91/20/94/1425912094.db2.gz PTHPWOSSPSWBPN-UHFFFAOYSA-N -1 0 345.712 2.711 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCCc2ccc(F)cc2)o1 ZINC000819966132 1425920098 /nfs/dbraw/zinc/92/00/98/1425920098.db2.gz XJCHOTKLSQOTCR-UHFFFAOYSA-N -1 0 343.366 2.932 20 30 EFEDRM C=CCSCCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000819759060 1425991528 /nfs/dbraw/zinc/99/15/28/1425991528.db2.gz MZSCSMFCVRKTGM-UHFFFAOYSA-N -1 0 344.419 2.615 20 30 EFEDRM COc1ccc(C=NNc2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC000737081816 1426169710 /nfs/dbraw/zinc/16/97/10/1426169710.db2.gz CGFSNYXWFMPFEN-UHFFFAOYSA-N -1 0 345.366 2.870 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819689297 1426312460 /nfs/dbraw/zinc/31/24/60/1426312460.db2.gz YQCOJILLGNCLOH-ZDUSSCGKSA-N -1 0 348.362 2.624 20 30 EFEDRM C=CCC[C@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894893 1426329467 /nfs/dbraw/zinc/32/94/67/1426329467.db2.gz ZDVZRWKRNGDEEN-WBMJQRKESA-N -1 0 342.399 2.922 20 30 EFEDRM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(O)cc1 ZINC000825028305 1426412422 /nfs/dbraw/zinc/41/24/22/1426412422.db2.gz GVPBJGYQPKTYDK-UHFFFAOYSA-N -1 0 343.778 2.847 20 30 EFEDRM COc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000826210075 1426454250 /nfs/dbraw/zinc/45/42/50/1426454250.db2.gz CTOBSQTUTAZGKM-UHFFFAOYSA-N -1 0 333.355 2.803 20 30 EFEDRM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953476 1426480304 /nfs/dbraw/zinc/48/03/04/1426480304.db2.gz BWTWIENBWAVSFA-UHFFFAOYSA-N -1 0 334.355 2.720 20 30 EFEDRM COc1cc(F)cc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821720592 1426486847 /nfs/dbraw/zinc/48/68/47/1426486847.db2.gz VWQRJVALOHWISM-UHFFFAOYSA-N -1 0 330.298 2.600 20 30 EFEDRM Cc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822350403 1426643788 /nfs/dbraw/zinc/64/37/88/1426643788.db2.gz CQWPORGSDABOOJ-UHFFFAOYSA-N -1 0 332.367 2.979 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826380401 1426698942 /nfs/dbraw/zinc/69/89/42/1426698942.db2.gz ZJSXVSVANUJOFE-GDBMZVCRSA-N -1 0 331.383 2.538 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826384385 1426791461 /nfs/dbraw/zinc/79/14/61/1426791461.db2.gz SQKUHNNRRNJWCB-UTCJRWHESA-N -1 0 337.289 2.913 20 30 EFEDRM O=C1c2cccc(O)c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504916 1426811098 /nfs/dbraw/zinc/81/10/98/1426811098.db2.gz VNDKGOMEQABUFJ-DHZHZOJOSA-N -1 0 336.326 2.924 20 30 EFEDRM COc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826221520 1426824090 /nfs/dbraw/zinc/82/40/90/1426824090.db2.gz JIXJMAIWLBLYDN-SNAWJCMRSA-N -1 0 330.344 2.972 20 30 EFEDRM C[C@H](Nc1cc(C#N)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137174 1426899421 /nfs/dbraw/zinc/89/94/21/1426899421.db2.gz IOLMYTUJWIOSKS-LBPRGKRZSA-N -1 0 341.378 2.882 20 30 EFEDRM C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000819759036 1426912139 /nfs/dbraw/zinc/91/21/39/1426912139.db2.gz MBDZEPFZEPFQBB-UHFFFAOYSA-N -1 0 345.403 2.575 20 30 EFEDRM Clc1ccc(CNN=Cc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000822574394 1426915109 /nfs/dbraw/zinc/91/51/09/1426915109.db2.gz UEMSRPNEYCFYFS-UHFFFAOYSA-N -1 0 337.170 2.890 20 30 EFEDRM N#CCC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381696 1426958350 /nfs/dbraw/zinc/95/83/50/1426958350.db2.gz VMEMNHGYFDUGAM-QGZVFWFLSA-N -1 0 346.394 2.570 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401163 1427007287 /nfs/dbraw/zinc/00/72/87/1427007287.db2.gz RFBZKCHJXSUKOI-FPYGCLRLSA-N -1 0 339.286 2.810 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737703269 1427137328 /nfs/dbraw/zinc/13/73/28/1427137328.db2.gz AXEAGGZUYOJAJN-HZPDHXFCSA-N -1 0 336.399 2.893 20 30 EFEDRM O=C(OCC#Cc1ccc(Cl)cc1)c1sccc1-c1nn[n-]n1 ZINC000823396045 1427158501 /nfs/dbraw/zinc/15/85/01/1427158501.db2.gz DHOWQFVTOUHCEK-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612235 1427162248 /nfs/dbraw/zinc/16/22/48/1427162248.db2.gz LFTOUDCNFSSYJP-SNVBAGLBSA-N -1 0 340.337 2.867 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=CC(C)(C)C ZINC000735419239 1427293991 /nfs/dbraw/zinc/29/39/91/1427293991.db2.gz QUYBANLEPBPDOY-MDZDMXLPSA-N -1 0 325.416 2.984 20 30 EFEDRM C=CCCOCCCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823898975 1427301925 /nfs/dbraw/zinc/30/19/25/1427301925.db2.gz GWQNZVLCKVKMNR-CQSZACIVSA-N -1 0 343.431 2.807 20 30 EFEDRM N#CC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCCC1 ZINC000822802374 1427331049 /nfs/dbraw/zinc/33/10/49/1427331049.db2.gz ZRJZGLYBDDOYSH-UHFFFAOYSA-N -1 0 342.428 2.829 20 30 EFEDRM C=CCCCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000735413551 1427436904 /nfs/dbraw/zinc/43/69/04/1427436904.db2.gz WQUBTPBTNVMKCR-UHFFFAOYSA-N -1 0 347.444 2.788 20 30 EFEDRM FC(F)(F)c1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822728303 1427527135 /nfs/dbraw/zinc/52/71/35/1427527135.db2.gz GBLTYAJWYSUUIN-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821309670 1427767977 /nfs/dbraw/zinc/76/79/77/1427767977.db2.gz QMUDHLUKDPMGIK-UHFFFAOYSA-N -1 0 337.362 2.921 20 30 EFEDRM C=CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cccc(C#N)c1 ZINC000823914705 1427774183 /nfs/dbraw/zinc/77/41/83/1427774183.db2.gz MEOYKORJMZYDLC-UHFFFAOYSA-N -1 0 336.424 2.988 20 30 EFEDRM C(=NNCc1cnc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000819718579 1427797384 /nfs/dbraw/zinc/79/73/84/1427797384.db2.gz KQRJYHPTTHTTID-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM Cc1cc(C)n(N=CC[C@@H](C)c2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC000826265000 1427921804 /nfs/dbraw/zinc/92/18/04/1427921804.db2.gz ITBXJOCTYRGLKQ-GFCCVEGCSA-N -1 0 336.399 2.673 20 30 EFEDRM C=CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819759023 1427945589 /nfs/dbraw/zinc/94/55/89/1427945589.db2.gz LHUUKNXGLYJYGW-UHFFFAOYSA-N -1 0 327.369 2.745 20 30 EFEDRM CCc1nnc(Sc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1CC ZINC000821548013 1428065772 /nfs/dbraw/zinc/06/57/72/1428065772.db2.gz GEYSFKSMVTUYFY-UHFFFAOYSA-N -1 0 337.412 2.804 20 30 EFEDRM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736150403 1429800454 /nfs/dbraw/zinc/80/04/54/1429800454.db2.gz NOBBVMTWKYJXBT-CYBMUJFWSA-N -1 0 347.378 2.975 20 30 EFEDRM C=CCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819751024 1429937686 /nfs/dbraw/zinc/93/76/86/1429937686.db2.gz MDLQWFKVDJFPBN-UHFFFAOYSA-N -1 0 337.408 2.934 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000819734378 1430014523 /nfs/dbraw/zinc/01/45/23/1430014523.db2.gz NGPIRTYHEBDOSD-UHFFFAOYSA-N -1 0 329.408 2.525 20 30 EFEDRM C#Cc1cccc(NC(=S)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391329 1441458470 /nfs/dbraw/zinc/45/84/70/1441458470.db2.gz PQHMBWNBXLLVEU-GFCCVEGCSA-N -1 0 348.435 2.896 20 30 EFEDRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736059876 1441489924 /nfs/dbraw/zinc/48/99/24/1441489924.db2.gz XKUBRTQFKSFRRI-LBPRGKRZSA-N -1 0 332.367 2.556 20 30 EFEDRM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829623 1441561607 /nfs/dbraw/zinc/56/16/07/1441561607.db2.gz HQKAUHZXQHHOER-UHFFFAOYSA-N -1 0 344.378 2.698 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000822928594 1441693958 /nfs/dbraw/zinc/69/39/58/1441693958.db2.gz KVNNHYVQUAKDDY-GQCTYLIASA-N -1 0 327.325 2.733 20 30 EFEDRM COc1ccc(C=CC(=O)c2cnc3[nH]cccc2-3)cc1-c1nn[n-]n1 ZINC000821787058 1441696327 /nfs/dbraw/zinc/69/63/27/1441696327.db2.gz NOLQFDYBTSKNNN-XQRVVYSFSA-N -1 0 346.350 2.648 20 30 EFEDRM N#CCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000822805898 1441696584 /nfs/dbraw/zinc/69/65/84/1441696584.db2.gz GRMSAIPDJHRWLH-UHFFFAOYSA-N -1 0 342.359 2.628 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819729511 1441785099 /nfs/dbraw/zinc/78/50/99/1441785099.db2.gz IEAJQPIREQNHAF-CYBMUJFWSA-N -1 0 349.394 2.750 20 30 EFEDRM CC[C@@H]1CCC[C@@H](C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC000825195348 1441803290 /nfs/dbraw/zinc/80/32/90/1441803290.db2.gz WGWDTEXKVVWRFN-ZIAGYGMSSA-N -1 0 328.420 2.696 20 30 EFEDRM C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612007 1441835692 /nfs/dbraw/zinc/83/56/92/1441835692.db2.gz HSFIDDSHKCQCPV-SNVBAGLBSA-N -1 0 340.337 2.867 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822224848 1441923109 /nfs/dbraw/zinc/92/31/09/1441923109.db2.gz CLGPXMCNZYIHKV-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475369 1441930905 /nfs/dbraw/zinc/93/09/05/1441930905.db2.gz DBUYJDYWFRNHKB-YHYXMXQVSA-N -1 0 340.289 2.804 20 30 EFEDRM N#Cc1ccc(-c2ccn(Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000737711129 1441942425 /nfs/dbraw/zinc/94/24/25/1441942425.db2.gz ZVTAGLYRNYPZMC-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM Cc1nc(C)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000737474803 1441959201 /nfs/dbraw/zinc/95/92/01/1441959201.db2.gz VBZHXVGBJZRVCA-UHFFFAOYSA-N -1 0 346.420 2.573 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000822829795 1442021309 /nfs/dbraw/zinc/02/13/09/1442021309.db2.gz JQDVQJVZXNEONM-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CC1(C#N)CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000824776558 1442043874 /nfs/dbraw/zinc/04/38/74/1442043874.db2.gz CKYDJYNERMKIFK-UHFFFAOYSA-N -1 0 347.220 2.759 20 30 EFEDRM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380188 1442112770 /nfs/dbraw/zinc/11/27/70/1442112770.db2.gz QIKNTTWTNCZXNH-SNGWPZLWSA-N -1 0 337.383 2.896 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735803727 1442138248 /nfs/dbraw/zinc/13/82/48/1442138248.db2.gz JCHADOXALGKLSS-HJWRWDBZSA-N -1 0 338.415 2.668 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3[nH]ccc32)o1 ZINC000824353147 1442142234 /nfs/dbraw/zinc/14/22/34/1442142234.db2.gz YVGJHJDFXAYENI-UHFFFAOYSA-N -1 0 336.359 2.905 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825106406 1442285070 /nfs/dbraw/zinc/28/50/70/1442285070.db2.gz BPSAVIVBACFXBX-UHFFFAOYSA-N -1 0 340.431 2.967 20 30 EFEDRM N#CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000826381581 1442374702 /nfs/dbraw/zinc/37/47/02/1442374702.db2.gz QYVWJIUUDXFLLH-ZDUSSCGKSA-N -1 0 338.396 2.703 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000819734095 1442391653 /nfs/dbraw/zinc/39/16/53/1442391653.db2.gz IHPASSXYQDGOHQ-UHFFFAOYSA-N -1 0 327.388 2.972 20 30 EFEDRM C=C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883722 1442414884 /nfs/dbraw/zinc/41/48/84/1442414884.db2.gz ZAZDEUYCKFARNG-AWEZNQCLSA-N -1 0 335.367 2.665 20 30 EFEDRM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450905 1443079675 /nfs/dbraw/zinc/07/96/75/1443079675.db2.gz JKDYYLFNBDPFFB-UHFFFAOYSA-N -1 0 330.355 2.646 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000822800903 1443139158 /nfs/dbraw/zinc/13/91/58/1443139158.db2.gz APZHJRIIUAWMGR-HZPDHXFCSA-N -1 0 331.383 2.538 20 30 EFEDRM N#C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccs1 ZINC000826379752 1443187133 /nfs/dbraw/zinc/18/71/33/1443187133.db2.gz AJBQJUOXDLZHPE-SECBINFHSA-N -1 0 345.409 2.529 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826401010 1443299590 /nfs/dbraw/zinc/29/95/90/1443299590.db2.gz NBJRSDGFOLEZBP-ALCCZGGFSA-N -1 0 339.286 2.810 20 30 EFEDRM CC[C@H]1C[C@@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184384 1443352759 /nfs/dbraw/zinc/35/27/59/1443352759.db2.gz SVWQUSHKUZNWCA-QWRGUYRKSA-N -1 0 333.396 2.581 20 30 EFEDRM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400958 1443381372 /nfs/dbraw/zinc/38/13/72/1443381372.db2.gz LYYLDXRHWBTWMO-KTAJNNJTSA-N -1 0 329.722 2.950 20 30 EFEDRM C[C@]1(C#N)CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824776544 1443414977 /nfs/dbraw/zinc/41/49/77/1443414977.db2.gz CHVLACNNHMNQOW-CQSZACIVSA-N -1 0 347.220 2.759 20 30 EFEDRM Cc1cc(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000826267684 1443438552 /nfs/dbraw/zinc/43/85/52/1443438552.db2.gz QHGMVQROVOHQGJ-UHFFFAOYSA-N -1 0 342.790 2.658 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505580 1443439485 /nfs/dbraw/zinc/43/94/85/1443439485.db2.gz RKFKGNHEPCLEOK-LBPRGKRZSA-N -1 0 349.350 2.515 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000825807669 1443487365 /nfs/dbraw/zinc/48/73/65/1443487365.db2.gz UMZREGHKMTWOJN-SOFGYWHQSA-N -1 0 340.362 2.735 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503047 1443497499 /nfs/dbraw/zinc/49/74/99/1443497499.db2.gz GKPFUAXQJCENHH-NSHDSACASA-N -1 0 334.339 2.757 20 30 EFEDRM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822767021 1443510506 /nfs/dbraw/zinc/51/05/06/1443510506.db2.gz TXUZJTTYDMFUJL-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCO2 ZINC000822921920 1443577440 /nfs/dbraw/zinc/57/74/40/1443577440.db2.gz AIQSIYFMFRWNOM-DUXPYHPUSA-N -1 0 326.337 2.553 20 30 EFEDRM CC(=NNCCc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823954076 1443612079 /nfs/dbraw/zinc/61/20/79/1443612079.db2.gz YIWQIUAGDILVAC-UHFFFAOYSA-N -1 0 330.392 2.624 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cnc12 ZINC000826308430 1443633191 /nfs/dbraw/zinc/63/31/91/1443633191.db2.gz YZAVVQITHZIBBO-FNORWQNLSA-N -1 0 348.341 2.858 20 30 EFEDRM C(=NOCCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735399921 1443700275 /nfs/dbraw/zinc/70/02/75/1443700275.db2.gz OGSBCLBBLOKPGB-UHFFFAOYSA-N -1 0 329.385 2.748 20 30 EFEDRM C#CCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375247 1443702880 /nfs/dbraw/zinc/70/28/80/1443702880.db2.gz WIDVTPOAWBKHIJ-UHFFFAOYSA-N -1 0 334.335 2.839 20 30 EFEDRM CCOc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000736654658 1443784297 /nfs/dbraw/zinc/78/42/97/1443784297.db2.gz LRWNSXCGYMJRGG-GRSHGNNSSA-N -1 0 341.346 2.729 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825879173 1443848699 /nfs/dbraw/zinc/84/86/99/1443848699.db2.gz ISMSLYYAGSHGLA-BJMVGYQFSA-N -1 0 337.358 2.968 20 30 EFEDRM O=C1c2cc(F)ccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504980 1443858237 /nfs/dbraw/zinc/85/82/37/1443858237.db2.gz WNNRGLUSSANYHU-NSIKDUERSA-N -1 0 326.262 2.761 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735387842 1443873628 /nfs/dbraw/zinc/87/36/28/1443873628.db2.gz HSVJOHFNWDWCLS-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM CC(=NNc1cnnc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000735450942 1443894738 /nfs/dbraw/zinc/89/47/38/1443894738.db2.gz KWIWUFZSVXXOLZ-UHFFFAOYSA-N -1 0 330.355 2.646 20 30 EFEDRM C[C@H]1Cc2ccccc2C1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825012442 1443940042 /nfs/dbraw/zinc/94/00/42/1443940042.db2.gz JFFMHSMCZRSRMQ-VIFPVBQESA-N -1 0 339.790 2.924 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ncc(Cl)c1C ZINC000823914139 1443957559 /nfs/dbraw/zinc/95/75/59/1443957559.db2.gz BFOLUAOXEZJLOF-UHFFFAOYSA-N -1 0 343.822 2.671 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)COC2 ZINC000822922927 1443959818 /nfs/dbraw/zinc/95/98/18/1443959818.db2.gz LADSHQXBPCUBPD-WAYWQWQTSA-N -1 0 336.326 2.932 20 30 EFEDRM C=C(CC)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823878062 1443984767 /nfs/dbraw/zinc/98/47/67/1443984767.db2.gz NFRUWQCXTIEAKK-UHFFFAOYSA-N -1 0 327.344 2.682 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000735416400 1444027364 /nfs/dbraw/zinc/02/73/64/1444027364.db2.gz IMJGEAZIEYWSIF-VIFPVBQESA-N -1 0 335.433 2.719 20 30 EFEDRM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400540 1446302245 /nfs/dbraw/zinc/30/22/45/1446302245.db2.gz BAMUDCGDOIFLJF-PLNGDYQASA-N -1 0 340.364 2.596 20 30 EFEDRM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC000822823076 1446371078 /nfs/dbraw/zinc/37/10/78/1446371078.db2.gz JZKKEOBHJMPCQW-UHFFFAOYSA-N -1 0 327.351 2.899 20 30 EFEDRM C=C(C)CCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819722190 1446471811 /nfs/dbraw/zinc/47/18/11/1446471811.db2.gz BOHQNBLPKWNVRT-UHFFFAOYSA-N -1 0 330.388 2.925 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(-c3cccnc3)c2)o1 ZINC000822424700 1446507387 /nfs/dbraw/zinc/50/73/87/1446507387.db2.gz ZSQOISZVDURXAC-UHFFFAOYSA-N -1 0 346.354 2.671 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825039805 1446600589 /nfs/dbraw/zinc/60/05/89/1446600589.db2.gz WLLIBGWUPRIWAP-GFCCVEGCSA-N -1 0 348.366 2.691 20 30 EFEDRM CCN(CCC#N)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825419233 1446622763 /nfs/dbraw/zinc/62/27/63/1446622763.db2.gz LWZQJBXIYBNOTC-UHFFFAOYSA-N -1 0 339.186 2.549 20 30 EFEDRM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1 ZINC000820508001 1446632739 /nfs/dbraw/zinc/63/27/39/1446632739.db2.gz KZAKEUYQRIMREL-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820056804 1446672212 /nfs/dbraw/zinc/67/22/12/1446672212.db2.gz SNSUIOCHLURMOJ-GFCCVEGCSA-N -1 0 342.403 2.518 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400684 1446751145 /nfs/dbraw/zinc/75/11/45/1446751145.db2.gz FDMFEPNCBFELSH-DAXSKMNVSA-N -1 0 339.286 2.810 20 30 EFEDRM Fc1cccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c1F ZINC000826376830 1446922471 /nfs/dbraw/zinc/92/24/71/1446922471.db2.gz UNOAWCFHUCTXRE-UHFFFAOYSA-N -1 0 335.705 2.639 20 30 EFEDRM Cc1c2c(nc(SCc3ccnc(C#N)c3)c1-c1nn[n-]n1)CCC2 ZINC000826243075 1446937051 /nfs/dbraw/zinc/93/70/51/1446937051.db2.gz SLZFRCMABATHIR-UHFFFAOYSA-N -1 0 349.423 2.618 20 30 EFEDRM C[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735505676 1446992945 /nfs/dbraw/zinc/99/29/45/1446992945.db2.gz SDUOTPPPLQJFBI-GFCCVEGCSA-N -1 0 349.350 2.515 20 30 EFEDRM FC(F)(F)c1cc(NN=Cc2ccccn2)ccc1-c1nnn[n-]1 ZINC000737634251 1447001743 /nfs/dbraw/zinc/00/17/43/1447001743.db2.gz ZTNUUTRIARMLBR-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000826384608 1447130914 /nfs/dbraw/zinc/13/09/14/1447130914.db2.gz CEKAIVGKMRYNBP-GQCTYLIASA-N -1 0 337.289 2.913 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332747 1447145591 /nfs/dbraw/zinc/14/55/91/1447145591.db2.gz GHMBQOWNJCWKJZ-UHFFFAOYSA-N -1 0 344.382 2.807 20 30 EFEDRM CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000824261100 1449070672 /nfs/dbraw/zinc/07/06/72/1449070672.db2.gz AEESRJIJEFVLRZ-UHFFFAOYSA-N -1 0 347.426 2.792 20 30 EFEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451236 1449120386 /nfs/dbraw/zinc/12/03/86/1449120386.db2.gz VKLGLHBBLIHVCL-UHFFFAOYSA-N -1 0 346.354 2.753 20 30 EFEDRM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820497996 1449165925 /nfs/dbraw/zinc/16/59/25/1449165925.db2.gz XPTQGMZTNKMARU-GFCCVEGCSA-N -1 0 333.351 2.585 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821009638 1449166235 /nfs/dbraw/zinc/16/62/35/1449166235.db2.gz XHQKKJQUNCLXIH-UHFFFAOYSA-N -1 0 348.357 2.737 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820198001 1449273679 /nfs/dbraw/zinc/27/36/79/1449273679.db2.gz QLRSTGLGQLVAAK-CABZTGNLSA-N -1 0 345.407 2.581 20 30 EFEDRM O=C(C=Cc1ccc(O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400985 1449279772 /nfs/dbraw/zinc/27/97/72/1449279772.db2.gz MQHCVPWAPCTUMJ-ORCRQEGFSA-N -1 0 328.278 2.747 20 30 EFEDRM C#C[C@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819688257 1449312408 /nfs/dbraw/zinc/31/24/08/1449312408.db2.gz DXJVNWNQZYYLNR-ZDUSSCGKSA-N -1 0 348.362 2.624 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736310078 1449313826 /nfs/dbraw/zinc/31/38/26/1449313826.db2.gz ULCACTCAZJIYCT-CQSZACIVSA-N -1 0 335.371 2.555 20 30 EFEDRM C=CCCC(=O)Nc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000823888310 1449409653 /nfs/dbraw/zinc/40/96/53/1449409653.db2.gz IRGHQQGFDXLJDS-UHFFFAOYSA-N -1 0 343.778 2.611 20 30 EFEDRM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819698161 1449445596 /nfs/dbraw/zinc/44/55/96/1449445596.db2.gz SWWLJZMZGWYXLN-CYBMUJFWSA-N -1 0 338.415 2.515 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504847 1449505392 /nfs/dbraw/zinc/50/53/92/1449505392.db2.gz VIHNRCVHGXOSAU-JYRVWZFOSA-N -1 0 347.334 2.987 20 30 EFEDRM N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000826384740 1449553930 /nfs/dbraw/zinc/55/39/30/1449553930.db2.gz HQMMMHZWBSSEPV-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826178311 1449683550 /nfs/dbraw/zinc/68/35/50/1449683550.db2.gz SCNYVPIEPKLEMR-HJWRWDBZSA-N -1 0 335.367 2.783 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccc(Cl)cc2)o1 ZINC000824457058 1449739100 /nfs/dbraw/zinc/73/91/00/1449739100.db2.gz DCVHCKORJUCNMI-UHFFFAOYSA-N -1 0 331.767 2.847 20 30 EFEDRM C=C(Br)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823874792 1449911587 /nfs/dbraw/zinc/91/15/87/1449911587.db2.gz YYIHWTKFPDOAGH-UHFFFAOYSA-N -1 0 346.232 2.864 20 30 EFEDRM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962143 1449924039 /nfs/dbraw/zinc/92/40/39/1449924039.db2.gz GGRFFISKUBIFPI-UHFFFAOYSA-N -1 0 336.384 2.708 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1CN(CCC#N)CC(C)(C)C ZINC000826168737 1449928351 /nfs/dbraw/zinc/92/83/51/1449928351.db2.gz WWUYRYDOXMVFIJ-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(F)c2F)o1 ZINC000735939893 1450088713 /nfs/dbraw/zinc/08/87/13/1450088713.db2.gz VJTCBXJHJGWNFO-UHFFFAOYSA-N -1 0 333.302 2.702 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc3cnccc32)ccc1-c1nnn[n-]1 ZINC000822823090 1450133629 /nfs/dbraw/zinc/13/36/29/1450133629.db2.gz KTWNXXGZCOSMQQ-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM N#Cc1ccc(NC(=O)CCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000737715690 1450138081 /nfs/dbraw/zinc/13/80/81/1450138081.db2.gz DUBATMOVRDFOKI-UHFFFAOYSA-N -1 0 332.367 2.700 20 30 EFEDRM C=CCOc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735435873 1450169774 /nfs/dbraw/zinc/16/97/74/1450169774.db2.gz AMSGAZOTSKJQNE-UHFFFAOYSA-N -1 0 339.374 2.860 20 30 EFEDRM Cc1oc2ccccc2c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000826265079 1450259710 /nfs/dbraw/zinc/25/97/10/1450259710.db2.gz LHHXRYSPWIEZAH-UHFFFAOYSA-N -1 0 348.366 2.582 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735399975 1450327099 /nfs/dbraw/zinc/32/70/99/1450327099.db2.gz YHMSXRKLJWETCK-NSHDSACASA-N -1 0 349.435 2.911 20 30 EFEDRM N#Cc1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000822823520 1450406139 /nfs/dbraw/zinc/40/61/39/1450406139.db2.gz SFBUDVQPJLRLHI-UHFFFAOYSA-N -1 0 344.378 2.700 20 30 EFEDRM CC(C)c1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206688 1450471778 /nfs/dbraw/zinc/47/17/78/1450471778.db2.gz VTQZLYJIMWOSCS-UHFFFAOYSA-N -1 0 327.417 2.570 20 30 EFEDRM C[C@@H]1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000824925204 1450476881 /nfs/dbraw/zinc/47/68/81/1450476881.db2.gz BOAGXUDINQDJQY-NXEZZACHSA-N -1 0 329.433 2.634 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000187084757 713054721 /nfs/dbraw/zinc/05/47/21/713054721.db2.gz KISJXVFGVVMCJW-UHFFFAOYSA-N -1 0 329.377 2.702 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000187542797 713175879 /nfs/dbraw/zinc/17/58/79/713175879.db2.gz KJRQGOOBVFOMEM-SFHVURJKSA-N -1 0 347.436 2.874 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C(C)(C)C)c2)c(C)c1 ZINC000048477062 713788940 /nfs/dbraw/zinc/78/89/40/713788940.db2.gz SXMAVZBQZIGFLT-UHFFFAOYSA-N -1 0 335.429 2.948 20 30 EFEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000892491212 717948896 /nfs/dbraw/zinc/94/88/96/717948896.db2.gz GLWDASYHFHKWMI-CQSZACIVSA-N -1 0 328.416 2.680 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1cc(OC)c(OC)cc1Br ZINC000092468623 714589157 /nfs/dbraw/zinc/58/91/57/714589157.db2.gz BWSCXQLLNFIYTO-UHFFFAOYSA-N -1 0 344.205 2.539 20 30 EFEDRM C[C@H]1CCc2c(C(=O)[N-]S(=O)(=O)c3cccnc3)csc2C1 ZINC000077945123 714729236 /nfs/dbraw/zinc/72/92/36/714729236.db2.gz RRDUKQHYRCOCIF-JTQLQIEISA-N -1 0 336.438 2.961 20 30 EFEDRM COc1ccc2oc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)cc2c1 ZINC000255364588 714737381 /nfs/dbraw/zinc/73/73/81/714737381.db2.gz BOQRPNMBQJUFHQ-MAVJXHJTSA-N -1 0 326.304 2.670 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCCO[C@@H]2CCOC2)c1[O-] ZINC000255373487 714868983 /nfs/dbraw/zinc/86/89/83/714868983.db2.gz JIULVSUAVSOJOF-VJMCZWTHSA-N -1 0 328.752 2.568 20 30 EFEDRM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1Br ZINC000255377504 714875202 /nfs/dbraw/zinc/87/52/02/714875202.db2.gz DIZRHGQAXXXNND-VOKGJARPSA-N -1 0 349.180 2.986 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CC1 ZINC000066002999 718022821 /nfs/dbraw/zinc/02/28/21/718022821.db2.gz DFIWKQDWSATDFJ-UHFFFAOYSA-N -1 0 347.440 2.722 20 30 EFEDRM O=C(CCc1nccs1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000066004049 718023385 /nfs/dbraw/zinc/02/33/85/718023385.db2.gz DBTBKFLXRIACMN-UHFFFAOYSA-N -1 0 336.438 2.910 20 30 EFEDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000075027906 715290108 /nfs/dbraw/zinc/29/01/08/715290108.db2.gz BCGGINIMGSSGIN-CQSZACIVSA-N -1 0 340.445 2.779 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893431116 715332087 /nfs/dbraw/zinc/33/20/87/715332087.db2.gz PRTWJODQRZZZAZ-UHFFFAOYSA-N -1 0 331.821 2.756 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000124803509 715476806 /nfs/dbraw/zinc/47/68/06/715476806.db2.gz XEMGSEHFEUNZRD-LBPRGKRZSA-N -1 0 342.786 2.675 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127678726 715516620 /nfs/dbraw/zinc/51/66/20/715516620.db2.gz PXFMTMDZXRVQBL-VXGBXAGGSA-N -1 0 335.429 2.623 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000125444837 715630695 /nfs/dbraw/zinc/63/06/95/715630695.db2.gz AIGXBEQJPKVAPM-AWEZNQCLSA-N -1 0 348.468 2.881 20 30 EFEDRM COc1ncc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1C(N)=O ZINC000255539562 715786469 /nfs/dbraw/zinc/78/64/69/715786469.db2.gz LVRGAFKRVWLFHL-UHFFFAOYSA-N -1 0 340.166 2.952 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000051897262 715803256 /nfs/dbraw/zinc/80/32/56/715803256.db2.gz ITMPDXNJCHXAQN-UHFFFAOYSA-N -1 0 335.410 2.579 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1C ZINC000121954125 715844410 /nfs/dbraw/zinc/84/44/10/715844410.db2.gz BTNCPBALTSIMIZ-OAHLLOKOSA-N -1 0 330.432 2.763 20 30 EFEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125500291 715864875 /nfs/dbraw/zinc/86/48/75/715864875.db2.gz VGSAHJKOSCDCML-INIZCTEOSA-N -1 0 348.468 2.971 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000125035826 715878076 /nfs/dbraw/zinc/87/80/76/715878076.db2.gz LFFWPVBGTHNXOY-ZDUSSCGKSA-N -1 0 344.342 2.561 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)F)cc2)C(=O)O1 ZINC000255563382 715948788 /nfs/dbraw/zinc/94/87/88/715948788.db2.gz FSGGLYGYYUQAIN-HQQUCIOCSA-N -1 0 336.290 2.559 20 30 EFEDRM Cc1ccc(N2CC[C@@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000125192380 715990666 /nfs/dbraw/zinc/99/06/66/715990666.db2.gz TYPGXJBXSBEFSR-YDDPGSGASA-N -1 0 339.351 2.833 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000135424426 716363617 /nfs/dbraw/zinc/36/36/17/716363617.db2.gz NCOPCJSACYVFNW-JTQLQIEISA-N -1 0 349.811 2.574 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161923601 716420109 /nfs/dbraw/zinc/42/01/09/716420109.db2.gz SFPXHOQYEFMYDN-GFCCVEGCSA-N -1 0 340.782 2.733 20 30 EFEDRM C#CCCCC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909379920 716586820 /nfs/dbraw/zinc/58/68/20/716586820.db2.gz VDNQJLOZKPKPOP-CYBMUJFWSA-N -1 0 328.195 2.909 20 30 EFEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000052795450 716611634 /nfs/dbraw/zinc/61/16/34/716611634.db2.gz QGKOAPUMBGHEPP-UHFFFAOYSA-N -1 0 328.459 2.585 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000176819078 716697647 /nfs/dbraw/zinc/69/76/47/716697647.db2.gz ZBNMZMHKMIZRFI-UHFFFAOYSA-N -1 0 340.364 2.947 20 30 EFEDRM CC(=O)N(CCC(=O)Nc1cc(C#N)ccc1[O-])Cc1ccccc1 ZINC000176827752 716716690 /nfs/dbraw/zinc/71/66/90/716716690.db2.gz KRGDRARKMNADAU-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c1C ZINC000176832891 716752778 /nfs/dbraw/zinc/75/27/78/716752778.db2.gz VHTJHNBILDQTHV-UHFFFAOYSA-N -1 0 327.340 2.638 20 30 EFEDRM C=C1CCC(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)[O-])CC1 ZINC000909386834 716918809 /nfs/dbraw/zinc/91/88/09/716918809.db2.gz ISNPFCSNCSKJLW-INIZCTEOSA-N -1 0 331.412 2.801 20 30 EFEDRM C=C1CCC(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)[O-])CC1 ZINC000909386835 716918977 /nfs/dbraw/zinc/91/89/77/716918977.db2.gz ISNPFCSNCSKJLW-MRXNPFEDSA-N -1 0 331.412 2.801 20 30 EFEDRM Cc1ccc(OC(F)F)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000176904686 717011748 /nfs/dbraw/zinc/01/17/48/717011748.db2.gz PPQAQTMXFXABJO-RGDDUWESSA-N -1 0 336.290 2.825 20 30 EFEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000892420090 717241902 /nfs/dbraw/zinc/24/19/02/717241902.db2.gz NCTLLSVYVLXYEA-DGCLKSJQSA-N -1 0 333.395 2.911 20 30 EFEDRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000065763035 717341901 /nfs/dbraw/zinc/34/19/01/717341901.db2.gz MIRSRIDSNNEEMS-UHFFFAOYSA-N -1 0 346.836 2.538 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000179306005 717382214 /nfs/dbraw/zinc/38/22/14/717382214.db2.gz NREKOAWIEBEHOU-KRWDZBQOSA-N -1 0 340.404 2.557 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C ZINC000892465339 717686971 /nfs/dbraw/zinc/68/69/71/717686971.db2.gz QPPHIWXMFSJTMM-CQSZACIVSA-N -1 0 330.432 2.927 20 30 EFEDRM COc1ccc2cc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)ccc2c1 ZINC000255833713 717786514 /nfs/dbraw/zinc/78/65/14/717786514.db2.gz ZALAXJFTJBBGKS-YWEYNIOJSA-N -1 0 336.347 2.544 20 30 EFEDRM CCCc1c(C(=O)Nc2cc(C#N)ccc2[O-])[nH]c(C)c1C(=O)OC ZINC000179739581 717860621 /nfs/dbraw/zinc/86/06/21/717860621.db2.gz SSCDKGDSSXUMDE-UHFFFAOYSA-N -1 0 341.367 2.892 20 30 EFEDRM C#CCCCS(=O)(=O)[N-]c1nnc(C(C)(C)c2ccccc2)o1 ZINC000840947734 718097708 /nfs/dbraw/zinc/09/77/08/718097708.db2.gz KMUBHNUUZDXNOY-UHFFFAOYSA-N -1 0 333.413 2.551 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC000177592980 718121534 /nfs/dbraw/zinc/12/15/34/718121534.db2.gz LXHFTMFPUQZYEO-GFCCVEGCSA-N -1 0 335.201 2.702 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC000177592993 718121663 /nfs/dbraw/zinc/12/16/63/718121663.db2.gz LXHFTMFPUQZYEO-LBPRGKRZSA-N -1 0 335.201 2.702 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177595045 718122345 /nfs/dbraw/zinc/12/23/45/718122345.db2.gz YAUDTNITLOUIQF-AWEZNQCLSA-N -1 0 331.372 2.786 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(-n3cnnn3)c2)c1[O-] ZINC000255901169 718339311 /nfs/dbraw/zinc/33/93/11/718339311.db2.gz AHVWSDRYLLARDX-UHFFFAOYSA-N -1 0 344.718 2.680 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000122148124 718383160 /nfs/dbraw/zinc/38/31/60/718383160.db2.gz GHZWSXYSGVMYFL-WMLDXEAASA-N -1 0 345.358 2.531 20 30 EFEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000181247926 718410534 /nfs/dbraw/zinc/41/05/34/718410534.db2.gz MYGKDEHPBKBNHX-OAHLLOKOSA-N -1 0 342.395 2.587 20 30 EFEDRM CCc1nn(C)cc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000181244795 718410645 /nfs/dbraw/zinc/41/06/45/718410645.db2.gz HIGLFVVVZWPYGY-CYBMUJFWSA-N -1 0 334.379 2.978 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000314141832 719305791 /nfs/dbraw/zinc/30/57/91/719305791.db2.gz GITZTPDTJJTDJC-UHFFFAOYSA-N -1 0 335.784 2.812 20 30 EFEDRM CC(C)(C)n1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C1CC1 ZINC000119919185 719483062 /nfs/dbraw/zinc/48/30/62/719483062.db2.gz SBEXKKXKSRWLFQ-AWEZNQCLSA-N -1 0 342.443 2.897 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000893049839 719532306 /nfs/dbraw/zinc/53/23/06/719532306.db2.gz YRGBUBMVCMNTMA-UHFFFAOYSA-N -1 0 342.804 2.888 20 30 EFEDRM Cc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122712855 719718860 /nfs/dbraw/zinc/71/88/60/719718860.db2.gz MDQOXJIWWXXGQT-AWEZNQCLSA-N -1 0 327.409 2.803 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1ccc2ccccc2c1 ZINC000122713151 719722641 /nfs/dbraw/zinc/72/26/41/719722641.db2.gz QCYQGIDZOCTOBA-INIZCTEOSA-N -1 0 333.347 2.544 20 30 EFEDRM CCCc1sc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1CC ZINC000181288098 720018169 /nfs/dbraw/zinc/01/81/69/720018169.db2.gz ASMOYBVDQXLBDF-UHFFFAOYSA-N -1 0 328.459 2.626 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)CCc2ccccc2F)CC1 ZINC000893216681 720084031 /nfs/dbraw/zinc/08/40/31/720084031.db2.gz BKRIXDZCFPCUKL-UHFFFAOYSA-N -1 0 325.405 2.561 20 30 EFEDRM N#C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000894005913 720218881 /nfs/dbraw/zinc/21/88/81/720218881.db2.gz NSRCUUQRHNZSKF-SNVBAGLBSA-N -1 0 331.597 2.532 20 30 EFEDRM CCOc1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123172622 720792760 /nfs/dbraw/zinc/79/27/60/720792760.db2.gz YORXLOWUWDJJQK-CQSZACIVSA-N -1 0 343.408 2.503 20 30 EFEDRM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1csc([C@H]2CCCO2)n1 ZINC000330166005 720832778 /nfs/dbraw/zinc/83/27/78/720832778.db2.gz XOPJKCAJTQMLNP-SSDOTTSWSA-N -1 0 347.322 2.636 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000237051057 721047905 /nfs/dbraw/zinc/04/79/05/721047905.db2.gz FZENWIWJZQXSKZ-UHFFFAOYSA-N -1 0 349.433 2.951 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000124170403 721379537 /nfs/dbraw/zinc/37/95/37/721379537.db2.gz MICYKFMSHXASFM-MRXNPFEDSA-N -1 0 330.428 2.849 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000124170205 721379569 /nfs/dbraw/zinc/37/95/69/721379569.db2.gz MICYKFMSHXASFM-INIZCTEOSA-N -1 0 330.428 2.849 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2c1CC[C@H](C)C2 ZINC000124204009 721413569 /nfs/dbraw/zinc/41/35/69/721413569.db2.gz MRFPKXREEJZVAV-JSGCOSHPSA-N -1 0 348.468 2.738 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)s2)C(=O)O1 ZINC000003554711 721502110 /nfs/dbraw/zinc/50/21/10/721502110.db2.gz JGRACYZESXGOJD-KMOQFTEPSA-N -1 0 341.182 2.739 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)s2)C(=O)O1 ZINC000003554703 721502241 /nfs/dbraw/zinc/50/22/41/721502241.db2.gz JGRACYZESXGOJD-FXMSTWTQSA-N -1 0 341.182 2.739 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000928232497 722058621 /nfs/dbraw/zinc/05/86/21/722058621.db2.gz HSOYKCBGGQSXFQ-QMMMGPOBSA-N -1 0 327.153 2.670 20 30 EFEDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048495035 722161996 /nfs/dbraw/zinc/16/19/96/722161996.db2.gz KLNUEDFOMNYFCW-UHFFFAOYSA-N -1 0 328.777 2.833 20 30 EFEDRM C=CCN(C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C(C)C ZINC000728869152 724845342 /nfs/dbraw/zinc/84/53/42/724845342.db2.gz XXTAKNDIWDSDDL-UHFFFAOYSA-N -1 0 331.441 2.742 20 30 EFEDRM Oc1ccc(Br)cc1/C=N/CCc1nnc2ccccn21 ZINC000017309530 722635068 /nfs/dbraw/zinc/63/50/68/722635068.db2.gz GFOXPOOZPRYXNQ-LICLKQGHSA-N -1 0 345.200 2.859 20 30 EFEDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048578486 722661776 /nfs/dbraw/zinc/66/17/76/722661776.db2.gz QZJDYNAFOYANGB-UHFFFAOYSA-N -1 0 328.777 2.833 20 30 EFEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(OC)c(OC)c1 ZINC000917555534 728759384 /nfs/dbraw/zinc/75/93/84/728759384.db2.gz UGRNFNCRRGWSIP-UHFFFAOYSA-N -1 0 326.360 2.596 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc2n[nH]cc21 ZINC000427344098 722891089 /nfs/dbraw/zinc/89/10/89/722891089.db2.gz ZVASIZDHIHFFDZ-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000049003942 723014070 /nfs/dbraw/zinc/01/40/70/723014070.db2.gz FXFJDIQVCYGISH-UHFFFAOYSA-N -1 0 336.847 2.984 20 30 EFEDRM CCCOCC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000049178127 723158017 /nfs/dbraw/zinc/15/80/17/723158017.db2.gz MOGZSJUDSZVDKW-UHFFFAOYSA-N -1 0 336.207 2.521 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NN[C@@H]2CCSC2)c1 ZINC000901239576 728794744 /nfs/dbraw/zinc/79/47/44/728794744.db2.gz SBSFVUFZDLIWNN-SNVBAGLBSA-N -1 0 329.219 2.576 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC)cc2[n-]c1=S ZINC000727859221 723222688 /nfs/dbraw/zinc/22/26/88/723222688.db2.gz PQQXOCIPLVSQDF-ZDUSSCGKSA-N -1 0 343.452 2.886 20 30 EFEDRM CC(C)(C)c1ccc(CCC(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181259825 728803568 /nfs/dbraw/zinc/80/35/68/728803568.db2.gz MCBRZWNHOFJGCS-UHFFFAOYSA-N -1 0 336.457 2.666 20 30 EFEDRM Cc1ncc(CO)c(/C=N/CCc2cc(C(F)(F)F)ccn2)c1O ZINC000840704408 723431930 /nfs/dbraw/zinc/43/19/30/723431930.db2.gz ABCLWLAYMZEQGB-DNTJNYDQSA-N -1 0 339.317 2.663 20 30 EFEDRM CO[C@@H]1COCC[C@H]1C/N=C\c1cc(Br)ccc1O ZINC000840705005 723513360 /nfs/dbraw/zinc/51/33/60/723513360.db2.gz BJKLZBBICNXESE-SCDYTWBZSA-N -1 0 328.206 2.625 20 30 EFEDRM Fc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc(F)c1F ZINC000727969485 723541178 /nfs/dbraw/zinc/54/11/78/723541178.db2.gz HEBPXCGRIKXPEI-UHFFFAOYSA-N -1 0 326.225 2.885 20 30 EFEDRM CSCCON=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000794572772 723798101 /nfs/dbraw/zinc/79/81/01/723798101.db2.gz WVCCIILDLPVRSK-UHFFFAOYSA-N -1 0 348.218 2.626 20 30 EFEDRM N#Cc1c(C#N)c(N2CCC[C@H](C(=O)[O-])C2)nc2c1CCCCCC2 ZINC000262171365 723818532 /nfs/dbraw/zinc/81/85/32/723818532.db2.gz VCNWKTAMDVSNGC-ZDUSSCGKSA-N -1 0 338.411 2.785 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000909564207 723852124 /nfs/dbraw/zinc/85/21/24/723852124.db2.gz ABADYKVRDBKMST-SCLBCKFNSA-N -1 0 347.436 2.528 20 30 EFEDRM O=C([O-])CCOc1ccc(CN=Nc2cnc3ccccc3n2)cc1 ZINC000727255362 723874695 /nfs/dbraw/zinc/87/46/95/723874695.db2.gz AKUXXFQUVKLRTH-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM COc1cc(C=NNc2cnc3ccccc3n2)cc([N+](=O)[O-])c1[O-] ZINC000727258357 723878718 /nfs/dbraw/zinc/87/87/18/723878718.db2.gz GOWPNPSEOTXBNQ-UHFFFAOYSA-N -1 0 339.311 2.698 20 30 EFEDRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1F ZINC000727651217 724290642 /nfs/dbraw/zinc/29/06/42/724290642.db2.gz NJAQCYHKNBBMOD-UHFFFAOYSA-N -1 0 342.399 2.773 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000069525476 728942122 /nfs/dbraw/zinc/94/21/22/728942122.db2.gz FPGMARHSQUJTOR-UHFFFAOYSA-N -1 0 339.392 2.550 20 30 EFEDRM C=CCOC[C@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000263104389 725430211 /nfs/dbraw/zinc/43/02/11/725430211.db2.gz UHKNHSCEKHKKLW-ZQVVLCSBSA-N -1 0 335.444 2.755 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)Cc2ccccc2)c1[O-] ZINC000729148491 725464079 /nfs/dbraw/zinc/46/40/79/725464079.db2.gz BFHIJOFVRJOHEA-BBSXFRJVSA-N -1 0 334.759 2.976 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000130058730 725470888 /nfs/dbraw/zinc/47/08/88/725470888.db2.gz SPXOHHBDTMQDAV-CYBMUJFWSA-N -1 0 325.430 2.596 20 30 EFEDRM O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCCC1 ZINC000130130984 725624698 /nfs/dbraw/zinc/62/46/98/725624698.db2.gz QWGMZSNDLBZCCJ-CLXYIWAZSA-N -1 0 331.372 2.653 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(OC)c1 ZINC000263278120 725644162 /nfs/dbraw/zinc/64/41/62/725644162.db2.gz WZHPMLMFWQWLJA-HIFRSBDPSA-N -1 0 347.411 2.514 20 30 EFEDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccccc1 ZINC000088799397 725676889 /nfs/dbraw/zinc/67/68/89/725676889.db2.gz HCWXHYWQDXSVNO-UHFFFAOYSA-N -1 0 334.353 2.873 20 30 EFEDRM CCn1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c2ccccc21 ZINC000052796240 726131764 /nfs/dbraw/zinc/13/17/64/726131764.db2.gz LAEGPUKDXDQKFN-UHFFFAOYSA-N -1 0 335.429 2.697 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(Br)c1 ZINC000152594148 726184852 /nfs/dbraw/zinc/18/48/52/726184852.db2.gz LDSFVDXRVGHDKZ-NFAHFFEMSA-N -1 0 349.180 2.986 20 30 EFEDRM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000152715955 726228430 /nfs/dbraw/zinc/22/84/30/726228430.db2.gz VRTUBPXNDFJATP-UHFFFAOYSA-N -1 0 344.392 2.926 20 30 EFEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000067600126 726306005 /nfs/dbraw/zinc/30/60/05/726306005.db2.gz HVFFDNNXNUZYQN-ZDUSSCGKSA-N -1 0 326.443 2.981 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1cccs1 ZINC000054488139 726349821 /nfs/dbraw/zinc/34/98/21/726349821.db2.gz HFFLBCWAFAQJQX-UHFFFAOYSA-N -1 0 340.382 2.853 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccn2C(C)C)cc1 ZINC000153440025 726844829 /nfs/dbraw/zinc/84/48/29/726844829.db2.gz CZQYTHPXVQDQBK-MRXNPFEDSA-N -1 0 339.395 2.716 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000907048824 726854145 /nfs/dbraw/zinc/85/41/45/726854145.db2.gz LJJCJYFZWXLPEO-TXEJJXNPSA-N -1 0 341.816 2.910 20 30 EFEDRM COc1cc(C=NOC[C@@H]2CCOC2)cc(Br)c1O ZINC000788035271 726863601 /nfs/dbraw/zinc/86/36/01/726863601.db2.gz ZAAOJKCURKHGDT-SECBINFHSA-N -1 0 330.178 2.550 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)(C)C)n1 ZINC000193367461 726873589 /nfs/dbraw/zinc/87/35/89/726873589.db2.gz OIDQXOJPSLDEMI-CQSZACIVSA-N -1 0 332.448 2.966 20 30 EFEDRM O=[N+]([O-])c1ccc(OCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000731563304 726892799 /nfs/dbraw/zinc/89/27/99/726892799.db2.gz OUKRQJWHPMWNOO-MHWRWJLKSA-N -1 0 331.284 2.707 20 30 EFEDRM O=C([O-])COc1ccc(C=NNc2ccccc2F)cc1[N+](=O)[O-] ZINC000731559434 726894929 /nfs/dbraw/zinc/89/49/29/726894929.db2.gz ZTYHQTRMWJMCAO-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM Cc1ccc(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC000731560387 726895395 /nfs/dbraw/zinc/89/53/95/726895395.db2.gz SPSRINSWIHOVHH-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2ccccc21 ZINC000193407423 726904312 /nfs/dbraw/zinc/90/43/12/726904312.db2.gz WLINDABTTCWUHG-INIZCTEOSA-N -1 0 331.375 2.817 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000907414409 726935747 /nfs/dbraw/zinc/93/57/47/726935747.db2.gz WFXLHLREZRZECC-ZDUSSCGKSA-N -1 0 337.786 2.800 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@H]2CCCCO2)n1 ZINC000732380742 727066873 /nfs/dbraw/zinc/06/68/73/727066873.db2.gz BRJDCUAIKOQZDY-OLZOCXBDSA-N -1 0 336.413 2.520 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@H]2CCCCO2)n1 ZINC000732380741 727067030 /nfs/dbraw/zinc/06/70/30/727067030.db2.gz BRJDCUAIKOQZDY-CHWSQXEVSA-N -1 0 336.413 2.520 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(OC)c1 ZINC000908019225 727076818 /nfs/dbraw/zinc/07/68/18/727076818.db2.gz ZMVQPROTXFPAGG-MRXNPFEDSA-N -1 0 349.427 2.808 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1OC ZINC000908019449 727077187 /nfs/dbraw/zinc/07/71/87/727077187.db2.gz XAQUYXSSEXIEST-HNNXBMFYSA-N -1 0 335.400 2.879 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000732496399 727125825 /nfs/dbraw/zinc/12/58/25/727125825.db2.gz UJSSMYAWTPMJOY-QGZVFWFLSA-N -1 0 333.347 2.613 20 30 EFEDRM N#C[C@@]1(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)CC2CCC1CC2 ZINC000908236870 727138962 /nfs/dbraw/zinc/13/89/62/727138962.db2.gz ZRJFEGNPGQPXNL-CVVKJMNTSA-N -1 0 340.423 2.909 20 30 EFEDRM C=C[C@H](CC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C)c1ccccc1 ZINC000908429603 727184880 /nfs/dbraw/zinc/18/48/80/727184880.db2.gz BVDIVZARCGXZNW-UONOGXRCSA-N -1 0 339.395 2.672 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-] ZINC000908624998 727227313 /nfs/dbraw/zinc/22/73/13/727227313.db2.gz DUMWVSJMKGWZOE-CQSZACIVSA-N -1 0 334.347 2.745 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000908623385 727227344 /nfs/dbraw/zinc/22/73/44/727227344.db2.gz PYSOVODFMLSIJK-LBPRGKRZSA-N -1 0 329.381 2.772 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000908656113 727236446 /nfs/dbraw/zinc/23/64/46/727236446.db2.gz SHEGWMNLWTYWER-LLVKDONJSA-N -1 0 327.302 2.949 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](CC)C(=O)[O-])cc1 ZINC000908745105 727254169 /nfs/dbraw/zinc/25/41/69/727254169.db2.gz XZEACKACFNUMHL-OAHLLOKOSA-N -1 0 330.384 2.550 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000908751082 727256594 /nfs/dbraw/zinc/25/65/94/727256594.db2.gz ISCRQKKXDJSNTK-IRXDYDNUSA-N -1 0 345.443 2.542 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1csc(C(C)C)n1)C(=O)[O-] ZINC000908918876 727283238 /nfs/dbraw/zinc/28/32/38/727283238.db2.gz QAKIANPBJCKWAX-LBPRGKRZSA-N -1 0 325.434 2.528 20 30 EFEDRM C#CCCCNC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000909028832 727306989 /nfs/dbraw/zinc/30/69/89/727306989.db2.gz YBYBCWRBYDPWSH-UHFFFAOYSA-N -1 0 342.317 2.715 20 30 EFEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000909031410 727307306 /nfs/dbraw/zinc/30/73/06/727307306.db2.gz YVGVVFYLBSPWCP-GFCCVEGCSA-N -1 0 346.305 2.976 20 30 EFEDRM C=CCC1(CNC(=O)NC2(C(=O)[O-])CCSCC2)CCCC1 ZINC000909024909 727311952 /nfs/dbraw/zinc/31/19/52/727311952.db2.gz NQEXIZPHAAWLHT-UHFFFAOYSA-N -1 0 326.462 2.773 20 30 EFEDRM C=CCC1(CNC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])CCCC1 ZINC000909024642 727311963 /nfs/dbraw/zinc/31/19/63/727311963.db2.gz HWHVRWWDPQGACW-CQSZACIVSA-N -1 0 326.437 2.643 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1Cc1ccccc1 ZINC000129251274 727314381 /nfs/dbraw/zinc/31/43/81/727314381.db2.gz QOMVMOFPONQFQD-GOSISDBHSA-N -1 0 335.407 2.754 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000909059845 727316212 /nfs/dbraw/zinc/31/62/12/727316212.db2.gz IJMPTVLIHLTSME-IKGGRYGDSA-N -1 0 346.427 2.668 20 30 EFEDRM C=C1CCC(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000909102213 727323067 /nfs/dbraw/zinc/32/30/67/727323067.db2.gz QHCWFXULKKZARU-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])OCC ZINC000909243333 727346720 /nfs/dbraw/zinc/34/67/20/727346720.db2.gz YOYMAUBIOJAUMH-IAGOWNOFSA-N -1 0 333.428 2.726 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000909238067 727350934 /nfs/dbraw/zinc/35/09/34/727350934.db2.gz NGJWWKHMERYCGL-APWZRJJASA-N -1 0 333.428 2.583 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000909255222 727353211 /nfs/dbraw/zinc/35/32/11/727353211.db2.gz NJYGRERJWAVDNQ-HNNXBMFYSA-N -1 0 344.411 2.917 20 30 EFEDRM C=CCC[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909712391 727366105 /nfs/dbraw/zinc/36/61/05/727366105.db2.gz JJFZNCZQUFARLV-OLZOCXBDSA-N -1 0 346.210 2.953 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909711669 727366182 /nfs/dbraw/zinc/36/61/82/727366182.db2.gz JHIRRTGSQROAOS-QFBILLFUSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000909711487 727366205 /nfs/dbraw/zinc/36/62/05/727366205.db2.gz BXEOIEVJZDYWFG-GFCCVEGCSA-N -1 0 331.290 2.777 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000909711488 727366237 /nfs/dbraw/zinc/36/62/37/727366237.db2.gz BXEOIEVJZDYWFG-LBPRGKRZSA-N -1 0 331.290 2.777 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)[O-] ZINC000909712826 727366297 /nfs/dbraw/zinc/36/62/97/727366297.db2.gz BGIVFURSUVJYLA-AWEZNQCLSA-N -1 0 334.416 2.727 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000909713564 727366381 /nfs/dbraw/zinc/36/63/81/727366381.db2.gz FWIBNJOWMNBIKX-INIZCTEOSA-N -1 0 349.402 2.701 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000909715760 727366700 /nfs/dbraw/zinc/36/67/00/727366700.db2.gz OHTZLFZZBDGJJF-LBPRGKRZSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC000909715575 727366746 /nfs/dbraw/zinc/36/67/46/727366746.db2.gz MXANKBREUIKFDO-QMMMGPOBSA-N -1 0 343.355 2.722 20 30 EFEDRM C=C1CCC(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2)CC1 ZINC000909743921 727372362 /nfs/dbraw/zinc/37/23/62/727372362.db2.gz LMKOBFCQROFOSJ-GFCCVEGCSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC000909766813 727373319 /nfs/dbraw/zinc/37/33/19/727373319.db2.gz KZBLQXSVEGPOHO-INIZCTEOSA-N -1 0 344.411 2.683 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC000909768751 727373405 /nfs/dbraw/zinc/37/34/05/727373405.db2.gz WXAYVUHUJAFBDK-GFCCVEGCSA-N -1 0 336.775 2.515 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)OCC ZINC000909799265 727375939 /nfs/dbraw/zinc/37/59/39/727375939.db2.gz WKERGWRYEOAJMH-BBRMVZONSA-N -1 0 335.400 2.699 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909787442 727378018 /nfs/dbraw/zinc/37/80/18/727378018.db2.gz KAIHRBBDNUUXCN-SUMWQHHRSA-N -1 0 325.364 2.510 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000909844528 727389062 /nfs/dbraw/zinc/38/90/62/727389062.db2.gz DXISXRYVGQOCOK-RTBURBONSA-N -1 0 333.428 2.764 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000909844527 727389184 /nfs/dbraw/zinc/38/91/84/727389184.db2.gz DXISXRYVGQOCOK-RBUKOAKNSA-N -1 0 333.428 2.764 20 30 EFEDRM C#Cc1cncc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC000909951959 727398416 /nfs/dbraw/zinc/39/84/16/727398416.db2.gz UAFQIGOQUWVXCX-MRXNPFEDSA-N -1 0 334.375 2.611 20 30 EFEDRM C=CC[C@H]1N(C(=O)CCCn2ccc(C(=O)[O-])n2)CCCC1(C)C ZINC000910021516 727403983 /nfs/dbraw/zinc/40/39/83/727403983.db2.gz ITSROJFBBWLHFX-OAHLLOKOSA-N -1 0 333.432 2.955 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000910052989 727406031 /nfs/dbraw/zinc/40/60/31/727406031.db2.gz MAPWFYXEPSRECI-CYBMUJFWSA-N -1 0 330.409 2.602 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)C(=O)[O-] ZINC000910052657 727406062 /nfs/dbraw/zinc/40/60/62/727406062.db2.gz DYYWJZUQJLJNHC-OAHLLOKOSA-N -1 0 341.363 2.682 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)C(=O)[O-] ZINC000910052518 727406070 /nfs/dbraw/zinc/40/60/70/727406070.db2.gz ABVVIPRYTULEMY-MRXNPFEDSA-N -1 0 339.395 2.510 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000910053875 727406151 /nfs/dbraw/zinc/40/61/51/727406151.db2.gz KYGRCADWJRUSEL-CQSZACIVSA-N -1 0 332.787 2.668 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910054477 727406162 /nfs/dbraw/zinc/40/61/62/727406162.db2.gz PDOVTGQWZSTSPN-ASCRHOAZSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910054775 727406163 /nfs/dbraw/zinc/40/61/63/727406163.db2.gz SMUZEKXJHHEUAD-RNCFNFMXSA-N -1 0 328.195 2.765 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055127 727406171 /nfs/dbraw/zinc/40/61/71/727406171.db2.gz XUOCCUSHGZCRHA-ZWNOBZJWSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C(C)C)C(=O)[O-] ZINC000910046131 727408020 /nfs/dbraw/zinc/40/80/20/727408020.db2.gz MAJFWGBLHGPVKX-OAHLLOKOSA-N -1 0 339.395 2.510 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910068752 727409942 /nfs/dbraw/zinc/40/99/42/727409942.db2.gz JFJPINVJRPEKKR-RDTXWAMCSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000910423060 727439870 /nfs/dbraw/zinc/43/98/70/727439870.db2.gz ZDQSSJNSGCZLOC-DJJJIMSYSA-N -1 0 345.395 2.587 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])c1ccccc1 ZINC000910465958 727443858 /nfs/dbraw/zinc/44/38/58/727443858.db2.gz LTPDXWGIRHIEAC-WBVHZDCISA-N -1 0 331.412 2.732 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1)OCC ZINC000910776815 727464670 /nfs/dbraw/zinc/46/46/70/727464670.db2.gz YWQHTFBVYPMFKF-RDJZCZTQSA-N -1 0 335.400 2.651 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC2CC(CC(=O)[O-])C2)cc1OC ZINC000910804844 727466743 /nfs/dbraw/zinc/46/67/43/727466743.db2.gz LZFIQHOFSFCCJB-FNORWQNLSA-N -1 0 345.395 2.643 20 30 EFEDRM C#CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910935318 727470949 /nfs/dbraw/zinc/47/09/49/727470949.db2.gz HCDBCHMXXOYMEW-ZDUSSCGKSA-N -1 0 329.274 2.631 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000910918047 727472028 /nfs/dbraw/zinc/47/20/28/727472028.db2.gz WQNKLHRSVLVDMU-CYBMUJFWSA-N -1 0 333.384 2.619 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000910919619 727472128 /nfs/dbraw/zinc/47/21/28/727472128.db2.gz YXEKOKPMTJWUIO-SJORKVTESA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000910919618 727472144 /nfs/dbraw/zinc/47/21/44/727472144.db2.gz YXEKOKPMTJWUIO-IRXDYDNUSA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C[C@H]1CCc2sccc2C1=O)C(=O)[O-] ZINC000910923854 727472264 /nfs/dbraw/zinc/47/22/64/727472264.db2.gz WGVHFXSIENOCBB-DGCLKSJQSA-N -1 0 335.425 2.809 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000129334772 727489537 /nfs/dbraw/zinc/48/95/37/727489537.db2.gz GOFOEKKANLILNW-QGZVFWFLSA-N -1 0 347.374 2.540 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C1(C#N)CCCC1 ZINC000911319871 727528375 /nfs/dbraw/zinc/52/83/75/727528375.db2.gz YBONWZNDICFAOY-AWEZNQCLSA-N -1 0 341.411 2.506 20 30 EFEDRM C=C(C)[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000911675317 727579902 /nfs/dbraw/zinc/57/99/02/727579902.db2.gz BFRDHGRJLLBPSE-HNNXBMFYSA-N -1 0 329.368 2.906 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000915926169 727640731 /nfs/dbraw/zinc/64/07/31/727640731.db2.gz XTLHXMQVUNQSTI-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM Cc1nnc(NN=Cc2cc(Cl)ccc2OC(F)F)[n-]c1=O ZINC000915945517 727641705 /nfs/dbraw/zinc/64/17/05/727641705.db2.gz RFRFVGSXMVWEKR-UHFFFAOYSA-N -1 0 329.694 2.586 20 30 EFEDRM O=C([O-])CCOc1ccc(C=NNC(=S)NC2CCCCC2)cc1 ZINC000915943085 727643512 /nfs/dbraw/zinc/64/35/12/727643512.db2.gz RKJCSLKPASYLAZ-UHFFFAOYSA-N -1 0 349.456 2.671 20 30 EFEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)cc2c1OCCO2 ZINC000916255179 727669763 /nfs/dbraw/zinc/66/97/63/727669763.db2.gz HXVNMSFWZMJMKZ-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM COc1cc(CN=Nc2ccccc2[N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000916249299 727671204 /nfs/dbraw/zinc/67/12/04/727671204.db2.gz AIXRYYPAGCHHDG-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM Cc1nnc(N=NC=C(Br)Cc2ccccc2)[n-]c1=O ZINC000916282996 727671402 /nfs/dbraw/zinc/67/14/02/727671402.db2.gz XGIVUKDBMPNMRF-OCLNWSFISA-N -1 0 334.177 2.719 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000916277571 727672835 /nfs/dbraw/zinc/67/28/35/727672835.db2.gz LSKQYOZDTGOQTA-OCCSQVGLSA-N -1 0 349.456 2.527 20 30 EFEDRM CCCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OC ZINC000916284213 727672943 /nfs/dbraw/zinc/67/29/43/727672943.db2.gz QVRPETQUTLZRON-UHFFFAOYSA-N -1 0 331.376 2.519 20 30 EFEDRM CCOc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c(O)c1 ZINC000916304954 727675131 /nfs/dbraw/zinc/67/51/31/727675131.db2.gz IILRXQYYWHYYPT-UHFFFAOYSA-N -1 0 332.307 2.572 20 30 EFEDRM O=[N+]([O-])c1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1[O-] ZINC000916307859 727675781 /nfs/dbraw/zinc/67/57/81/727675781.db2.gz UNLFZYGSVXLUNY-UHFFFAOYSA-N -1 0 341.352 2.730 20 30 EFEDRM CC[C@]1(C)NC(=O)N(N=Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000916330058 727676709 /nfs/dbraw/zinc/67/67/09/727676709.db2.gz BAZUESZAZNJKNS-ZDUSSCGKSA-N -1 0 330.171 2.753 20 30 EFEDRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000916809824 727737293 /nfs/dbraw/zinc/73/72/93/727737293.db2.gz RGOGVMIBTWHBMV-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000916917376 727741745 /nfs/dbraw/zinc/74/17/45/727741745.db2.gz JNDZVQDDQJJINT-SFHVURJKSA-N -1 0 335.407 2.778 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2cccs2)nc1C ZINC000916918650 727741857 /nfs/dbraw/zinc/74/18/57/727741857.db2.gz VBZZWKXSUPMYIY-JTQLQIEISA-N -1 0 331.422 2.805 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000916919180 727741887 /nfs/dbraw/zinc/74/18/87/727741887.db2.gz ZZMWEHLPUNEVIW-LBPRGKRZSA-N -1 0 329.356 2.517 20 30 EFEDRM CCc1nc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2nc1CC ZINC000916945319 727744971 /nfs/dbraw/zinc/74/49/71/727744971.db2.gz MJLLUADBGIVSLN-CYBMUJFWSA-N -1 0 338.411 2.602 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(-n2ccnc2)cc1 ZINC000917026592 727756009 /nfs/dbraw/zinc/75/60/09/727756009.db2.gz INTYVSJQLBWDSU-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cc1 ZINC000070828596 727894424 /nfs/dbraw/zinc/89/44/24/727894424.db2.gz HINHRWWTPACROI-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000156327796 727904524 /nfs/dbraw/zinc/90/45/24/727904524.db2.gz JYNGZLJXZYMDKA-UHFFFAOYSA-N -1 0 343.404 2.808 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000156493283 727926080 /nfs/dbraw/zinc/92/60/80/727926080.db2.gz LQTNWVMRRSGULH-UHFFFAOYSA-N -1 0 333.768 2.540 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156505434 727928826 /nfs/dbraw/zinc/92/88/26/727928826.db2.gz CNADNGYNHIIIIB-LLVKDONJSA-N -1 0 341.592 2.704 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156506648 727928901 /nfs/dbraw/zinc/92/89/01/727928901.db2.gz DQINNTCFVWTUES-SECBINFHSA-N -1 0 330.693 2.960 20 30 EFEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(O)cc2[O-])cs1 ZINC000156637263 727943714 /nfs/dbraw/zinc/94/37/14/727943714.db2.gz KTFJQGYZVVRMLR-QPJJXVBHSA-N -1 0 332.381 2.823 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1 ZINC000070030863 727949119 /nfs/dbraw/zinc/94/91/19/727949119.db2.gz BNNVKXINKGVZAG-UHFFFAOYSA-N -1 0 341.820 2.578 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000183110947 727961524 /nfs/dbraw/zinc/96/15/24/727961524.db2.gz ZIUCSQFCPKICFP-SNVBAGLBSA-N -1 0 327.296 2.844 20 30 EFEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100174 727972627 /nfs/dbraw/zinc/97/26/27/727972627.db2.gz QOFDRJSIMSAPNM-UHFFFAOYSA-N -1 0 325.336 2.994 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183135599 727974920 /nfs/dbraw/zinc/97/49/20/727974920.db2.gz WUFPEYPJMHGYQG-ZDUSSCGKSA-N -1 0 346.408 2.925 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000058072630 728136962 /nfs/dbraw/zinc/13/69/62/728136962.db2.gz LAAADSWRJOIFGA-UHFFFAOYSA-N -1 0 326.374 2.870 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1c(Cl)nc2ccccn21 ZINC000058074284 728137005 /nfs/dbraw/zinc/13/70/05/728137005.db2.gz RROSIJMMQFGVAM-UHFFFAOYSA-N -1 0 341.820 2.955 20 30 EFEDRM CC(C)(C)C(=O)NCCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072356 728137069 /nfs/dbraw/zinc/13/70/69/728137069.db2.gz VCWNAAOGSSJRNR-UHFFFAOYSA-N -1 0 332.466 2.548 20 30 EFEDRM CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058081054 728140452 /nfs/dbraw/zinc/14/04/52/728140452.db2.gz XJRNPDLRJLSXMU-UHFFFAOYSA-N -1 0 342.392 2.751 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058080633 728140456 /nfs/dbraw/zinc/14/04/56/728140456.db2.gz OKCJXTRITQXXLI-UHFFFAOYSA-N -1 0 326.374 2.870 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000058113762 728144440 /nfs/dbraw/zinc/14/44/40/728144440.db2.gz DTJNFIOMFYTIHR-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000058113565 728144574 /nfs/dbraw/zinc/14/45/74/728144574.db2.gz PQYKXLFQIXHRLD-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cccc(F)c1 ZINC000058151046 728146772 /nfs/dbraw/zinc/14/67/72/728146772.db2.gz PSFPQWIRZCIZNI-UHFFFAOYSA-N -1 0 328.752 2.709 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccnc(Cl)c1 ZINC000058153930 728147066 /nfs/dbraw/zinc/14/70/66/728147066.db2.gz CNBPPIHZNVCLJO-UHFFFAOYSA-N -1 0 346.195 2.618 20 30 EFEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151227 728147096 /nfs/dbraw/zinc/14/70/96/728147096.db2.gz QJKWSMSDLRLNDC-UHFFFAOYSA-N -1 0 342.779 2.903 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc(F)c2)c1 ZINC000058185540 728149855 /nfs/dbraw/zinc/14/98/55/728149855.db2.gz TUNNQGFLTOUIGI-UHFFFAOYSA-N -1 0 327.308 2.667 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131027404 728260515 /nfs/dbraw/zinc/26/05/15/728260515.db2.gz OAXGSTVYBHKPER-ZDUSSCGKSA-N -1 0 327.365 2.536 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000157989361 728268839 /nfs/dbraw/zinc/26/88/39/728268839.db2.gz VMNRMAHSAXNABY-UHFFFAOYSA-N -1 0 347.367 2.573 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2C)cc1 ZINC000046927136 728325394 /nfs/dbraw/zinc/32/53/94/728325394.db2.gz ZTADRICAHKJCPV-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000046929181 728325725 /nfs/dbraw/zinc/32/57/25/728325725.db2.gz ZHAPCOSAKIMEQV-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927585 728325809 /nfs/dbraw/zinc/32/58/09/728325809.db2.gz MXLSPAOECJIJPT-UHFFFAOYSA-N -1 0 326.355 2.544 20 30 EFEDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000076759018 728383622 /nfs/dbraw/zinc/38/36/22/728383622.db2.gz MNLYGVJAOXBZQZ-UHFFFAOYSA-N -1 0 335.410 2.661 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)cc1 ZINC000060766301 728422992 /nfs/dbraw/zinc/42/29/92/728422992.db2.gz BYZWZGZOGHYNRV-UHFFFAOYSA-N -1 0 349.408 2.600 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cn1 ZINC000171146545 728519542 /nfs/dbraw/zinc/51/95/42/728519542.db2.gz FLRJRBZYMOJKLQ-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172085773 728567520 /nfs/dbraw/zinc/56/75/20/728567520.db2.gz ACTZLSLPHDYNGE-HNNXBMFYSA-N -1 0 334.441 2.970 20 30 EFEDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172085779 728567551 /nfs/dbraw/zinc/56/75/51/728567551.db2.gz ACTZLSLPHDYNGE-OAHLLOKOSA-N -1 0 334.441 2.970 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000172813591 728606897 /nfs/dbraw/zinc/60/68/97/728606897.db2.gz WFWRUDIYLAUMKQ-UHFFFAOYSA-N -1 0 349.383 2.785 20 30 EFEDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000076905697 728616583 /nfs/dbraw/zinc/61/65/83/728616583.db2.gz JPXCYRASYJDJPM-UHFFFAOYSA-N -1 0 332.466 2.550 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccn(-c2cccc(F)c2)n1 ZINC000063233986 728617090 /nfs/dbraw/zinc/61/70/90/728617090.db2.gz ZSYBKKNSYNRFQK-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(SC)n2ccccc12 ZINC000173944274 728642444 /nfs/dbraw/zinc/64/24/44/728642444.db2.gz CTFUIMAWOKVACB-GFCCVEGCSA-N -1 0 344.440 2.685 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000173967507 728643112 /nfs/dbraw/zinc/64/31/12/728643112.db2.gz OXYAEVWKFHDXPV-MRXNPFEDSA-N -1 0 335.363 2.819 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Br)cn1C(C)C ZINC000173982185 728644241 /nfs/dbraw/zinc/64/42/41/728644241.db2.gz WVZFMAXPWLITLJ-LLVKDONJSA-N -1 0 340.221 2.679 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913559047 728655705 /nfs/dbraw/zinc/65/57/05/728655705.db2.gz COBMNNJYUQDLKK-HNNXBMFYSA-N -1 0 326.400 2.679 20 30 EFEDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604871 729047181 /nfs/dbraw/zinc/04/71/81/729047181.db2.gz RTSJZBCPDLQUJQ-UHFFFAOYSA-N -1 0 337.319 2.777 20 30 EFEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604903 729047353 /nfs/dbraw/zinc/04/73/53/729047353.db2.gz NYTMZPBRPNZLGE-PSASIEDQSA-N -1 0 337.319 2.776 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000155028275 729052780 /nfs/dbraw/zinc/05/27/80/729052780.db2.gz FXLZMZXCZZHFNN-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000155041601 729063251 /nfs/dbraw/zinc/06/32/51/729063251.db2.gz WVHNMPZFTABRAA-MRXNPFEDSA-N -1 0 326.352 2.544 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000155060648 729073849 /nfs/dbraw/zinc/07/38/49/729073849.db2.gz OMHHKHPOIBDWKI-AWEZNQCLSA-N -1 0 344.317 2.612 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000130683901 729097766 /nfs/dbraw/zinc/09/77/66/729097766.db2.gz XAGZQSCUGHCTQE-GFCCVEGCSA-N -1 0 331.372 2.739 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000919958374 729116674 /nfs/dbraw/zinc/11/66/74/729116674.db2.gz DNLURDVEGPDHFL-KRWDZBQOSA-N -1 0 338.392 2.866 20 30 EFEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000920323334 729173521 /nfs/dbraw/zinc/17/35/21/729173521.db2.gz AMOJYKPLUANOPD-KRWDZBQOSA-N -1 0 330.428 2.893 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cn2cc(Cl)ccc2n1 ZINC000920361878 729175826 /nfs/dbraw/zinc/17/58/26/729175826.db2.gz ZRQPIGORADCVSJ-UHFFFAOYSA-N -1 0 346.725 2.769 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175118459 729477668 /nfs/dbraw/zinc/47/76/68/729477668.db2.gz RKFGJFUUVSQVQT-HNNXBMFYSA-N -1 0 326.352 2.544 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000064667574 729507411 /nfs/dbraw/zinc/50/74/11/729507411.db2.gz KHCRWHSHYGFDIZ-SNVBAGLBSA-N -1 0 336.413 2.653 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000179585821 729594741 /nfs/dbraw/zinc/59/47/41/729594741.db2.gz OZFVZMSNSAXXJU-AWEZNQCLSA-N -1 0 345.420 2.860 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000130786615 729595236 /nfs/dbraw/zinc/59/52/36/729595236.db2.gz KLFFQROGCFHBJX-KRWDZBQOSA-N -1 0 349.390 2.786 20 30 EFEDRM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000179978399 729661187 /nfs/dbraw/zinc/66/11/87/729661187.db2.gz ZAQLRPBTEBSYKH-KRWDZBQOSA-N -1 0 337.379 2.508 20 30 EFEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000180029428 729670745 /nfs/dbraw/zinc/67/07/45/729670745.db2.gz XTCHZHYEYYABNH-MRXNPFEDSA-N -1 0 338.411 2.862 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000068337274 729671829 /nfs/dbraw/zinc/67/18/29/729671829.db2.gz IGCNAHKVLHXIDL-UHFFFAOYSA-N -1 0 347.396 2.519 20 30 EFEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000068490870 729705518 /nfs/dbraw/zinc/70/55/18/729705518.db2.gz ICIBEQSGXCZQSR-VIFPVBQESA-N -1 0 348.352 2.584 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000180732041 729766072 /nfs/dbraw/zinc/76/60/72/729766072.db2.gz YMMIXPFOCZIOKS-UHFFFAOYSA-N -1 0 333.331 2.704 20 30 EFEDRM C=CCN(Cc1ccc(Cl)cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001465118121 804179776 /nfs/dbraw/zinc/17/97/76/804179776.db2.gz WDLBZFKAPKJAPQ-KGLIPLIRSA-N -1 0 343.832 2.521 20 30 EFEDRM C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000797725788 939188741 /nfs/dbraw/zinc/18/87/41/939188741.db2.gz ZPXZKHQVHJEFMS-CYBMUJFWSA-N -1 0 326.755 2.708 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000797740143 939201985 /nfs/dbraw/zinc/20/19/85/939201985.db2.gz QKYSQYFUOFTIFI-OAHLLOKOSA-N -1 0 327.340 2.594 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000797742599 939204643 /nfs/dbraw/zinc/20/46/43/939204643.db2.gz CPFPABUARBWRNU-CQSZACIVSA-N -1 0 330.365 2.708 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000797743641 939205985 /nfs/dbraw/zinc/20/59/85/939205985.db2.gz IMSBDMGVMKBMHA-INIZCTEOSA-N -1 0 341.367 2.984 20 30 EFEDRM C#CCOc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000797744899 939207356 /nfs/dbraw/zinc/20/73/56/939207356.db2.gz YNXODXCXSURWQG-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM CCCCCCCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000864531006 939255819 /nfs/dbraw/zinc/25/58/19/939255819.db2.gz SGPZRZOLAVBBQK-GUYCJALGSA-N -1 0 328.453 2.914 20 30 EFEDRM C=CCCOCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746601 939266090 /nfs/dbraw/zinc/26/60/90/939266090.db2.gz YXEDGHAYNHFLPW-ZDUSSCGKSA-N -1 0 331.290 2.540 20 30 EFEDRM C=CCCNC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000905541985 939293748 /nfs/dbraw/zinc/29/37/48/939293748.db2.gz DXXADTSCUXPDAP-NSHDSACASA-N -1 0 332.278 2.586 20 30 EFEDRM N#CC[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001601060406 970926096 /nfs/dbraw/zinc/92/60/96/970926096.db2.gz GMCXXWZUAUUIFK-ROUUACIJSA-N -1 0 336.391 2.886 20 30 EFEDRM Cc1ccc(OC(F)F)c(COC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001611186093 970928741 /nfs/dbraw/zinc/92/87/41/970928741.db2.gz ACWXDXFUDVXWQX-HNNXBMFYSA-N -1 0 327.283 2.644 20 30 EFEDRM N#CC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001611291425 970979100 /nfs/dbraw/zinc/97/91/00/970979100.db2.gz YXBLGAWCBFCCRU-UHFFFAOYSA-N -1 0 338.161 2.573 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC001611295937 970981028 /nfs/dbraw/zinc/98/10/28/970981028.db2.gz YWNBCSZKOXBPDD-ZACQAIPSSA-N -1 0 326.396 2.539 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC001611295934 970981086 /nfs/dbraw/zinc/98/10/86/970981086.db2.gz YWNBCSZKOXBPDD-IKGGRYGDSA-N -1 0 326.396 2.539 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCc1ccccc1CC(=O)[O-] ZINC000325188662 971192447 /nfs/dbraw/zinc/19/24/47/971192447.db2.gz BZCBFFRWRWNDDU-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001602684085 971278654 /nfs/dbraw/zinc/27/86/54/971278654.db2.gz PZCOLYZTYDPYNK-UHFFFAOYSA-N -1 0 327.380 2.954 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(C)C)c1ccccc1OCC ZINC001602684315 971280131 /nfs/dbraw/zinc/28/01/31/971280131.db2.gz VSFMUKFPDXDCMA-MRXNPFEDSA-N -1 0 346.427 2.902 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001602685631 971282305 /nfs/dbraw/zinc/28/23/05/971282305.db2.gz CASMCSQXJSVKLD-SJORKVTESA-N -1 0 328.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001602688182 971288438 /nfs/dbraw/zinc/28/84/38/971288438.db2.gz FSFVZDNERXGRHA-SFHVURJKSA-N -1 0 347.374 2.894 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001602688121 971288878 /nfs/dbraw/zinc/28/88/78/971288878.db2.gz CTVWKEQRJXIGMN-UHFFFAOYSA-N -1 0 332.303 2.850 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC001602688507 971290863 /nfs/dbraw/zinc/29/08/63/971290863.db2.gz NWSJVJZCRWMRNI-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001602704466 971334366 /nfs/dbraw/zinc/33/43/66/971334366.db2.gz GOEBLZNVHBOCJS-PYTWLRIVSA-N -1 0 326.396 2.791 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001602710226 971350286 /nfs/dbraw/zinc/35/02/86/971350286.db2.gz QPTCEWGQXZOVQF-AATRIKPKSA-N -1 0 345.351 2.681 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001602722786 971389376 /nfs/dbraw/zinc/38/93/76/971389376.db2.gz PMWCFBMLORAKLU-AWEZNQCLSA-N -1 0 329.805 2.550 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2ncccc2C(=O)[O-])c(OC)c1 ZINC001602729923 971403577 /nfs/dbraw/zinc/40/35/77/971403577.db2.gz MFUKNFSSGGYUHY-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602730070 971406011 /nfs/dbraw/zinc/40/60/11/971406011.db2.gz RHABSCJHNFSXRK-GFCCVEGCSA-N -1 0 336.436 2.641 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602730792 971409121 /nfs/dbraw/zinc/40/91/21/971409121.db2.gz BNSUGFSAXYXOQL-KWQFWETISA-N -1 0 342.754 2.890 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001602730961 971411274 /nfs/dbraw/zinc/41/12/74/971411274.db2.gz NMXSXXHIFKVBEI-GOSISDBHSA-N -1 0 325.368 2.972 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001602730962 971411458 /nfs/dbraw/zinc/41/14/58/971411458.db2.gz NMXSXXHIFKVBEI-SFHVURJKSA-N -1 0 325.368 2.972 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001602781250 971522694 /nfs/dbraw/zinc/52/26/94/971522694.db2.gz UHQRZCBFHKHIAF-MRXNPFEDSA-N -1 0 334.803 2.882 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000347332879 971524194 /nfs/dbraw/zinc/52/41/94/971524194.db2.gz IQDUUXGNSBSWTP-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC001602782239 971528344 /nfs/dbraw/zinc/52/83/44/971528344.db2.gz RAUNGSORNWOGED-GOSISDBHSA-N -1 0 349.350 2.568 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001589585039 949038659 /nfs/dbraw/zinc/03/86/59/949038659.db2.gz YRNRFXRQDGGYTC-VQIMIIECSA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001602786444 971534163 /nfs/dbraw/zinc/53/41/63/971534163.db2.gz QUVSZQZBEGUNNP-YNEHKIRRSA-N -1 0 331.372 2.694 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001589591989 949096716 /nfs/dbraw/zinc/09/67/16/949096716.db2.gz UZYORENVUCTHPH-GOSISDBHSA-N -1 0 326.396 2.693 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159553614 949375717 /nfs/dbraw/zinc/37/57/17/949375717.db2.gz NNHGJMBAEMEKFH-UHFFFAOYSA-N -1 0 346.180 2.762 20 30 EFEDRM CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@H](C)c1ccc(C#N)cc1 ZINC001589700778 950235761 /nfs/dbraw/zinc/23/57/61/950235761.db2.gz WQPCTMRRUIXPLB-XOKHGSTOSA-N -1 0 344.411 2.738 20 30 EFEDRM CCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001589703359 950248795 /nfs/dbraw/zinc/24/87/95/950248795.db2.gz OJEIQARHLPCJJT-QMMMGPOBSA-N -1 0 329.278 2.904 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000380129344 971679162 /nfs/dbraw/zinc/67/91/62/971679162.db2.gz SMOGVOAIVCFKSV-SECBINFHSA-N -1 0 339.189 2.989 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000385608282 951282699 /nfs/dbraw/zinc/28/26/99/951282699.db2.gz NAQAIYTZEKOHPD-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)CSCCC(=O)[O-])cc1 ZINC001592663287 951344191 /nfs/dbraw/zinc/34/41/91/951344191.db2.gz JGMMKTCFKNVTNM-UHFFFAOYSA-N -1 0 336.413 2.540 20 30 EFEDRM C=CCN(CCOC)Cc1ccc(C(=O)[O-])cc1Br ZINC000382503994 971819234 /nfs/dbraw/zinc/81/92/34/971819234.db2.gz TVSKETAFRQLTKH-UHFFFAOYSA-N -1 0 328.206 2.782 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001589267876 953381091 /nfs/dbraw/zinc/38/10/91/953381091.db2.gz FUJYLFVNRUVHRM-GDBMZVCRSA-N -1 0 344.411 2.677 20 30 EFEDRM CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001593604093 953421520 /nfs/dbraw/zinc/42/15/20/953421520.db2.gz WXIPVSIRHQRDON-CQSZACIVSA-N -1 0 340.339 2.730 20 30 EFEDRM CC(C)(NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC001602952086 971929572 /nfs/dbraw/zinc/92/95/72/971929572.db2.gz RSYALSVEKDKCLI-UHFFFAOYSA-N -1 0 338.363 2.687 20 30 EFEDRM CCc1ccc([C@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001593637226 953615426 /nfs/dbraw/zinc/61/54/26/953615426.db2.gz ONOCXLVCJUEZOR-QFBILLFUSA-N -1 0 328.412 2.960 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593663221 953810281 /nfs/dbraw/zinc/81/02/81/953810281.db2.gz IPJYAXWAMSKFCK-ZDUSSCGKSA-N -1 0 328.372 2.613 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593755558 954449207 /nfs/dbraw/zinc/44/92/07/954449207.db2.gz JORZYYMINVDBFT-UHFFFAOYSA-N -1 0 337.379 2.892 20 30 EFEDRM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001593766405 954520434 /nfs/dbraw/zinc/52/04/34/954520434.db2.gz NIPZIJURCPEAEQ-GOSISDBHSA-N -1 0 349.390 2.607 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1cc(C#N)c(F)cc1F)C(=O)[O-] ZINC001589497592 955020985 /nfs/dbraw/zinc/02/09/85/955020985.db2.gz PXEICQTWDJIVFA-UHFFFAOYSA-N -1 0 325.315 2.849 20 30 EFEDRM CC[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001589547073 955204327 /nfs/dbraw/zinc/20/43/27/955204327.db2.gz WCHFMBBBPLFWLR-ZDUSSCGKSA-N -1 0 339.351 2.586 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)C3(C(=O)[O-])CC3)c2)c1 ZINC000738434120 955240311 /nfs/dbraw/zinc/24/03/11/955240311.db2.gz SHFZWPZTOMDPGI-UHFFFAOYSA-N -1 0 336.347 2.941 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001589002134 955338450 /nfs/dbraw/zinc/33/84/50/955338450.db2.gz NMOYRAKPGKNTJE-CYBMUJFWSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1C#N ZINC001594503627 955345045 /nfs/dbraw/zinc/34/50/45/955345045.db2.gz FJKMKZDCYONHQC-AAEUAGOBSA-N -1 0 342.380 2.758 20 30 EFEDRM Cc1sc(NC(=O)c2cccc(OCC(=O)[O-])c2)c(C#N)c1C ZINC001594512152 955397414 /nfs/dbraw/zinc/39/74/14/955397414.db2.gz LJLSHBJEUKNFOQ-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM CC(C)C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001603036302 972096695 /nfs/dbraw/zinc/09/66/95/972096695.db2.gz DIXNSVPERUHJDH-MRXNPFEDSA-N -1 0 332.400 2.723 20 30 EFEDRM CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000820261387 955467151 /nfs/dbraw/zinc/46/71/51/955467151.db2.gz ILCFAZRNGFQVLI-OAHLLOKOSA-N -1 0 337.763 2.632 20 30 EFEDRM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001589039337 955579878 /nfs/dbraw/zinc/57/98/78/955579878.db2.gz ASISSQIKKVFGDU-UGSOOPFHSA-N -1 0 332.400 2.698 20 30 EFEDRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(C#N)c1 ZINC001589101453 955998762 /nfs/dbraw/zinc/99/87/62/955998762.db2.gz LNEPHIDTKLYPJP-KGLIPLIRSA-N -1 0 329.400 2.906 20 30 EFEDRM N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594601169 956131514 /nfs/dbraw/zinc/13/15/14/956131514.db2.gz JHRXMTLQLUGCLN-CQSZACIVSA-N -1 0 331.274 2.955 20 30 EFEDRM N#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001594601745 956139298 /nfs/dbraw/zinc/13/92/98/956139298.db2.gz QESLZSIDRDRJRK-LOWVWBTDSA-N -1 0 340.301 2.887 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594602087 956143084 /nfs/dbraw/zinc/14/30/84/956143084.db2.gz UFVBKNRKHFWRCV-NVXWUHKLSA-N -1 0 349.346 2.510 20 30 EFEDRM N#C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC001594602602 956148079 /nfs/dbraw/zinc/14/80/79/956148079.db2.gz YDNDNELSHKOUOW-SNVBAGLBSA-N -1 0 327.167 2.929 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594602737 956151018 /nfs/dbraw/zinc/15/10/18/956151018.db2.gz ZKKYWBUEUJVLLI-HZMVEIRTSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CC1(CCCOC(=O)Cc2ccccc2C(=O)[O-])CCOCC1 ZINC001594604033 956159212 /nfs/dbraw/zinc/15/92/12/956159212.db2.gz NNAYDTQPNULXKK-UHFFFAOYSA-N -1 0 331.368 2.571 20 30 EFEDRM N#CCCCn1cc(C(=O)NCC2(C(=O)[O-])CCC2)c2ccccc21 ZINC001594609150 956191158 /nfs/dbraw/zinc/19/11/58/956191158.db2.gz RDJZWLSKSMDKBJ-UHFFFAOYSA-N -1 0 339.395 2.930 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001594609214 956191584 /nfs/dbraw/zinc/19/15/84/956191584.db2.gz WDJBUIFIXLNWQG-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001594609608 956192880 /nfs/dbraw/zinc/19/28/80/956192880.db2.gz FSOABLQAMCDGSF-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594610496 956204114 /nfs/dbraw/zinc/20/41/14/956204114.db2.gz WYFFAFPTGQRZQI-OLZOCXBDSA-N -1 0 348.424 2.901 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001594611570 956216632 /nfs/dbraw/zinc/21/66/32/956216632.db2.gz YGLLZLFJBPYSNZ-HUUCEWRRSA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC001594615863 956235522 /nfs/dbraw/zinc/23/55/22/956235522.db2.gz IHLDZECPHWAISD-UHFFFAOYSA-N -1 0 338.338 2.995 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001594616270 956239641 /nfs/dbraw/zinc/23/96/41/956239641.db2.gz LVVIWBPOPCNNED-ZDUSSCGKSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(F)cc1F ZINC001594616372 956240005 /nfs/dbraw/zinc/24/00/05/956240005.db2.gz RCILKNQYMBTTRN-AWEZNQCLSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)ccn1 ZINC001594617108 956246412 /nfs/dbraw/zinc/24/64/12/956246412.db2.gz YDIXNCQKTIAWEN-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM CC1(C(=O)[O-])CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 ZINC000886911035 956246776 /nfs/dbraw/zinc/24/67/76/956246776.db2.gz ZPSRSWSIMZIADZ-UHFFFAOYSA-N -1 0 338.367 2.832 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000887328449 956253118 /nfs/dbraw/zinc/25/31/18/956253118.db2.gz YEXCZEUPTXJNGX-UHFFFAOYSA-N -1 0 325.430 2.727 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594618089 956260318 /nfs/dbraw/zinc/26/03/18/956260318.db2.gz BZSHIDLOEDVEAB-ZWKOTPCHSA-N -1 0 334.375 2.920 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)NC3CCC(C(=O)[O-])CC3)CCC2)cc1 ZINC001594618460 956264304 /nfs/dbraw/zinc/26/43/04/956264304.db2.gz POVJUKPQKZHWIJ-UHFFFAOYSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@@H](C(=O)[O-])C3CC3)s2)cc1 ZINC001594619692 956271215 /nfs/dbraw/zinc/27/12/15/956271215.db2.gz MOBWRWDCDDIIIY-AWEZNQCLSA-N -1 0 341.392 2.655 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2n1 ZINC000899317784 956288080 /nfs/dbraw/zinc/28/80/80/956288080.db2.gz QSPSJPLZJLEXLL-CYBMUJFWSA-N -1 0 328.372 2.551 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C(F)(F)F)c1 ZINC001594625647 956311584 /nfs/dbraw/zinc/31/15/84/956311584.db2.gz MWZAKBIVMNMMQN-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3C(=O)[O-])n2)c1 ZINC001594625681 956312415 /nfs/dbraw/zinc/31/24/15/956312415.db2.gz NGGSOXFYOWGNIC-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)c1 ZINC001594626835 956321372 /nfs/dbraw/zinc/32/13/72/956321372.db2.gz IZIUBIDDKGSYAV-UHFFFAOYSA-N -1 0 327.365 2.875 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594627104 956321382 /nfs/dbraw/zinc/32/13/82/956321382.db2.gz LZXMLKXSWFSSGU-SUMWQHHRSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594627232 956322569 /nfs/dbraw/zinc/32/25/69/956322569.db2.gz NWKQWJCEYDDKMB-UHFFFAOYSA-N -1 0 327.384 2.658 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594632119 956349033 /nfs/dbraw/zinc/34/90/33/956349033.db2.gz QXXRJHGBNKIJFX-SFHVURJKSA-N -1 0 344.436 2.719 20 30 EFEDRM O=C([O-])c1cncc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001594667192 956586123 /nfs/dbraw/zinc/58/61/23/956586123.db2.gz CKIGWRJCWAVUFI-UHFFFAOYSA-N -1 0 334.253 2.789 20 30 EFEDRM O=C([O-])c1c(NC(=O)CC#Cc2ccccc2)sc2c1COCC2 ZINC001594676066 956665197 /nfs/dbraw/zinc/66/51/97/956665197.db2.gz UNEULPXDILIHQB-UHFFFAOYSA-N -1 0 341.388 2.899 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001589216958 956728339 /nfs/dbraw/zinc/72/83/39/956728339.db2.gz BRHCLNQXPIGTSB-HXUWFJFHSA-N -1 0 334.375 2.921 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000902549892 956752380 /nfs/dbraw/zinc/75/23/80/956752380.db2.gz SBRLGSHNLGKNGX-XQQFMLRXSA-N -1 0 340.301 2.779 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000902549893 956752401 /nfs/dbraw/zinc/75/24/01/956752401.db2.gz SBRLGSHNLGKNGX-YNEHKIRRSA-N -1 0 340.301 2.779 20 30 EFEDRM COCCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593995520 956887750 /nfs/dbraw/zinc/88/77/50/956887750.db2.gz FHZSJGSKCZGMOP-VOTSOKGWSA-N -1 0 340.335 2.542 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013388548 957040945 /nfs/dbraw/zinc/04/09/45/957040945.db2.gz CFRBJXOYZJOEBL-RISCZKNCSA-N -1 0 344.392 2.719 20 30 EFEDRM C[C@H](CN(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001603152011 972251880 /nfs/dbraw/zinc/25/18/80/972251880.db2.gz MPSWIYMFOXLSCS-CQSZACIVSA-N -1 0 337.379 2.666 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001603156143 972257350 /nfs/dbraw/zinc/25/73/50/972257350.db2.gz ZQIHTYUTRFRJBS-ZDUSSCGKSA-N -1 0 327.384 2.738 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)n1 ZINC001594274085 957700959 /nfs/dbraw/zinc/70/09/59/957700959.db2.gz PQSCYYRJYJWLQN-ALCCZGGFSA-N -1 0 337.335 2.762 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594274075 957701486 /nfs/dbraw/zinc/70/14/86/957701486.db2.gz OWYYUSRVWOBWHM-UHFFFAOYSA-N -1 0 349.390 2.980 20 30 EFEDRM Cc1cc(C(=O)/C=C/c2ccc(N3CCC(C(=O)[O-])CC3)o2)nn1C ZINC001594274551 957710705 /nfs/dbraw/zinc/71/07/05/957710705.db2.gz XSIJSLJEJLDBPJ-HWKANZROSA-N -1 0 343.383 2.519 20 30 EFEDRM Cc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)ncc1C#N ZINC001594276425 957721592 /nfs/dbraw/zinc/72/15/92/957721592.db2.gz MZSDWZGKWYOENG-UHFFFAOYSA-N -1 0 349.390 2.980 20 30 EFEDRM Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc(C)c1C#N ZINC001594279191 957730552 /nfs/dbraw/zinc/73/05/52/957730552.db2.gz XBZDMGBIMUDYSA-FQEVSTJZSA-N -1 0 336.391 2.947 20 30 EFEDRM C[C@@](CNc1c(C#N)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001603193706 972299344 /nfs/dbraw/zinc/29/93/44/972299344.db2.gz QVFQYEBCMSHZRE-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001339821443 957886377 /nfs/dbraw/zinc/88/63/77/957886377.db2.gz ISGGOMQXLUFLLD-USXIJHARSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001339821440 957886797 /nfs/dbraw/zinc/88/67/97/957886797.db2.gz ISGGOMQXLUFLLD-OIISXLGYSA-N -1 0 330.428 2.926 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001588386419 957977797 /nfs/dbraw/zinc/97/77/97/957977797.db2.gz RGHCBGLXRVOXBL-HZPDHXFCSA-N -1 0 332.375 2.929 20 30 EFEDRM COc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1C#N ZINC001594051010 957990231 /nfs/dbraw/zinc/99/02/31/957990231.db2.gz WLRHDPPFFQKINM-HZPDHXFCSA-N -1 0 336.347 2.610 20 30 EFEDRM COc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1C#N ZINC001594051012 957990532 /nfs/dbraw/zinc/99/05/32/957990532.db2.gz WLRHDPPFFQKINM-JKSUJKDBSA-N -1 0 336.347 2.610 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594310681 958012687 /nfs/dbraw/zinc/01/26/87/958012687.db2.gz IGTCJMHULKQLIT-MRXNPFEDSA-N -1 0 341.342 2.823 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594311158 958022327 /nfs/dbraw/zinc/02/23/27/958022327.db2.gz OAXNQRKOUJRNJR-UHFFFAOYSA-N -1 0 342.326 2.768 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001588397337 958053992 /nfs/dbraw/zinc/05/39/92/958053992.db2.gz FDIGLOQSAQUZJA-UHFFFAOYSA-N -1 0 336.121 2.632 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC001588399444 958073533 /nfs/dbraw/zinc/07/35/33/958073533.db2.gz KABJWEVJPLVORQ-RJAIZQQDSA-N -1 0 343.345 2.682 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCOc1cccc(Cl)c1Cl ZINC001588401829 958086146 /nfs/dbraw/zinc/08/61/46/958086146.db2.gz DILBESCHTPLFNV-UHFFFAOYSA-N -1 0 344.194 2.699 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC001588407032 958095930 /nfs/dbraw/zinc/09/59/30/958095930.db2.gz GOKLCXXUJTYWNY-AWEZNQCLSA-N -1 0 337.379 2.539 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC001588408465 958110952 /nfs/dbraw/zinc/11/09/52/958110952.db2.gz OFHJNKJUANWZTH-FQEVSTJZSA-N -1 0 340.423 2.685 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC001588408466 958111023 /nfs/dbraw/zinc/11/10/23/958111023.db2.gz OFHJNKJUANWZTH-HXUWFJFHSA-N -1 0 340.423 2.685 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC001588408815 958118307 /nfs/dbraw/zinc/11/83/07/958118307.db2.gz GSJWHIDPJZSQRS-UHFFFAOYSA-N -1 0 338.363 2.708 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001588409085 958122634 /nfs/dbraw/zinc/12/26/34/958122634.db2.gz BNRIRPXGBXHAGE-IAGOWNOFSA-N -1 0 328.412 2.517 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC001588409829 958132769 /nfs/dbraw/zinc/13/27/69/958132769.db2.gz LDUQYTASQIDGTF-LBPRGKRZSA-N -1 0 343.408 2.601 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001588410233 958136914 /nfs/dbraw/zinc/13/69/14/958136914.db2.gz QUZZRJVTBUPVHV-BHYGNILZSA-N -1 0 328.412 2.688 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001588417613 958176278 /nfs/dbraw/zinc/17/62/78/958176278.db2.gz ZCVNYGNPBWNWGC-UHFFFAOYSA-N -1 0 325.151 2.635 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001357175932 958192341 /nfs/dbraw/zinc/19/23/41/958192341.db2.gz XROKJZVEILHFIC-HUUCEWRRSA-N -1 0 334.441 2.908 20 30 EFEDRM C#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001521157669 958213880 /nfs/dbraw/zinc/21/38/80/958213880.db2.gz AUBSBESKRZOEDU-MRXNPFEDSA-N -1 0 344.411 2.628 20 30 EFEDRM C#CCOc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001521157668 958214470 /nfs/dbraw/zinc/21/44/70/958214470.db2.gz AUBSBESKRZOEDU-INIZCTEOSA-N -1 0 344.411 2.628 20 30 EFEDRM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603218597 972333348 /nfs/dbraw/zinc/33/33/48/972333348.db2.gz FJDYPRXLKUDKAO-UHOFOFEASA-N -1 0 340.423 2.841 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001588433293 958294449 /nfs/dbraw/zinc/29/44/49/958294449.db2.gz JKKASVRNXFMZCP-BQYQJAHWSA-N -1 0 326.304 2.746 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001588433421 958295558 /nfs/dbraw/zinc/29/55/58/958295558.db2.gz PNYDFILZFGFCBQ-LEUOFYLZSA-N -1 0 340.423 2.688 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001588433719 958300104 /nfs/dbraw/zinc/30/01/04/958300104.db2.gz TXSFBLKVGKZQBH-UHFFFAOYSA-N -1 0 335.359 2.990 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001594342796 958308540 /nfs/dbraw/zinc/30/85/40/958308540.db2.gz WDIFWPMMGUXWSN-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM C#Cc1ccc(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588439119 958311536 /nfs/dbraw/zinc/31/15/36/958311536.db2.gz OBVVTOVKDAGDKB-FQEVSTJZSA-N -1 0 336.391 2.510 20 30 EFEDRM C=C(Br)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588439770 958322808 /nfs/dbraw/zinc/32/28/08/958322808.db2.gz RRGUPTHYOWXKKE-LLVKDONJSA-N -1 0 343.221 2.579 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)C2(CC(=O)[O-])CCOCC2)c1 ZINC001588442661 958345791 /nfs/dbraw/zinc/34/57/91/958345791.db2.gz JPKQOPWVWMTLGK-UHFFFAOYSA-N -1 0 333.384 2.852 20 30 EFEDRM Cc1ccc(C2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCC2)cc1C ZINC001594353488 958384656 /nfs/dbraw/zinc/38/46/56/958384656.db2.gz PYSBQYGHVUBTAP-GOSISDBHSA-N -1 0 328.412 2.846 20 30 EFEDRM C=CCC[C@H](C(=O)N1CC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC001588457189 958446332 /nfs/dbraw/zinc/44/63/32/958446332.db2.gz OVHRBUDRSYRORO-LPHOPBHVSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@H](C(=O)N1CC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC001588457190 958446424 /nfs/dbraw/zinc/44/64/24/958446424.db2.gz OVHRBUDRSYRORO-QFBILLFUSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588457445 958451459 /nfs/dbraw/zinc/45/14/59/958451459.db2.gz ABSOWEBUDIQVBC-QWHCGFSZSA-N -1 0 334.420 2.959 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001573317934 958457269 /nfs/dbraw/zinc/45/72/69/958457269.db2.gz PTVSJATXEBCMMO-UHFFFAOYSA-N -1 0 336.391 2.626 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC001573318133 958461402 /nfs/dbraw/zinc/46/14/02/958461402.db2.gz SDWIYISDOWHSDX-LBPRGKRZSA-N -1 0 344.367 2.540 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573318531 958465535 /nfs/dbraw/zinc/46/55/35/958465535.db2.gz PTNNFQCCZQLGKO-YJBOKZPZSA-N -1 0 332.375 2.786 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588458822 958467121 /nfs/dbraw/zinc/46/71/21/958467121.db2.gz UCRDYCJIIGKGSS-YOEHRIQHSA-N -1 0 341.411 2.663 20 30 EFEDRM C=CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001588460460 958476562 /nfs/dbraw/zinc/47/65/62/958476562.db2.gz ITBVRKXLGFVBSA-OAHLLOKOSA-N -1 0 329.400 2.519 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001588460726 958479461 /nfs/dbraw/zinc/47/94/61/958479461.db2.gz VJRLVPMXYKWBMC-OAHLLOKOSA-N -1 0 325.430 2.583 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001573327876 958492909 /nfs/dbraw/zinc/49/29/09/958492909.db2.gz XLDZHYVEPOROMS-MRXNPFEDSA-N -1 0 338.363 2.516 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001573328048 958494483 /nfs/dbraw/zinc/49/44/83/958494483.db2.gz ZQBOMLBEIOJNKE-NWDGAFQWSA-N -1 0 334.347 2.555 20 30 EFEDRM C=CCNc1ncc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC001588465207 958498026 /nfs/dbraw/zinc/49/80/26/958498026.db2.gz QOUKOKSBKBVCNE-ZDUSSCGKSA-N -1 0 343.408 2.565 20 30 EFEDRM C=CCCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001573328984 958504567 /nfs/dbraw/zinc/50/45/67/958504567.db2.gz UDGVSBIABFWXHB-NXEZZACHSA-N -1 0 339.413 3.000 20 30 EFEDRM C=CCOc1ccc(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001588466309 958509921 /nfs/dbraw/zinc/50/99/21/958509921.db2.gz JJHRPALKBGERQX-UHFFFAOYSA-N -1 0 327.336 2.836 20 30 EFEDRM C=CC[S@](=O)(=NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001588469383 958515209 /nfs/dbraw/zinc/51/52/09/958515209.db2.gz BWGPIZPSSHULRR-HSZRJFAPSA-N -1 0 330.365 2.633 20 30 EFEDRM C=CC[S@@](=O)(=NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001588469384 958515311 /nfs/dbraw/zinc/51/53/11/958515311.db2.gz BWGPIZPSSHULRR-QHCPKHFHSA-N -1 0 330.365 2.633 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC001573336545 958518889 /nfs/dbraw/zinc/51/88/89/958518889.db2.gz CIVGKGDNMVCPGC-UKRRQHHQSA-N -1 0 347.411 2.657 20 30 EFEDRM C=CCc1cc(C(=O)Nc2ncccc2C(=O)[O-])cc(OC)c1OC ZINC001588469803 958519966 /nfs/dbraw/zinc/51/99/66/958519966.db2.gz VHJMIRHGABFOTI-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573336923 958520013 /nfs/dbraw/zinc/52/00/13/958520013.db2.gz HMUBHFCZQZYDRA-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588470074 958521729 /nfs/dbraw/zinc/52/17/29/958521729.db2.gz BQQWUKHRYHOACZ-AWEZNQCLSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588470128 958523823 /nfs/dbraw/zinc/52/38/23/958523823.db2.gz FIYVKUXMIQWLRS-UHFFFAOYSA-N -1 0 326.400 2.822 20 30 EFEDRM C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603232358 972355316 /nfs/dbraw/zinc/35/53/16/972355316.db2.gz FFKULKTUQDPRJB-DDTOSNHZSA-N -1 0 347.390 2.632 20 30 EFEDRM C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470985 958533397 /nfs/dbraw/zinc/53/33/97/958533397.db2.gz YTCWMOFPZCLVPZ-CQSZACIVSA-N -1 0 349.394 2.590 20 30 EFEDRM C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588470986 958534150 /nfs/dbraw/zinc/53/41/50/958534150.db2.gz YUZZQIDYIPIQSH-CYBMUJFWSA-N -1 0 330.388 2.805 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594114135 958543605 /nfs/dbraw/zinc/54/36/05/958543605.db2.gz SKMGLIMJZNSZQE-IFXJQAMLSA-N -1 0 344.411 2.861 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001573362350 958599066 /nfs/dbraw/zinc/59/90/66/958599066.db2.gz ADUXVJIBHHKZHG-ZDUSSCGKSA-N -1 0 348.708 2.980 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001594390439 958708457 /nfs/dbraw/zinc/70/84/57/958708457.db2.gz QPNGCBJKAZYREA-CXAGYDPISA-N -1 0 338.363 2.576 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC001594146457 958770401 /nfs/dbraw/zinc/77/04/01/958770401.db2.gz QWOCPUGAPANOKU-NEPJUHHUSA-N -1 0 336.413 2.537 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001588537994 958938086 /nfs/dbraw/zinc/93/80/86/958938086.db2.gz BKYJRGWSOLMEKV-HNNXBMFYSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC001588538525 958942835 /nfs/dbraw/zinc/94/28/35/958942835.db2.gz JVBJAOALTKCEIA-ZDUSSCGKSA-N -1 0 330.718 2.553 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC001588538739 958944183 /nfs/dbraw/zinc/94/41/83/958944183.db2.gz NGTXHUBLQPGWQF-IYXRBSQSSA-N -1 0 332.322 2.762 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001588539942 958955303 /nfs/dbraw/zinc/95/53/03/958955303.db2.gz GUOLEQVRKXSDJM-HNNXBMFYSA-N -1 0 333.344 2.892 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2ncco2)cc1F ZINC001588540188 958958576 /nfs/dbraw/zinc/95/85/76/958958576.db2.gz RETVFYKHFOMJNZ-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001588542347 958970605 /nfs/dbraw/zinc/97/06/05/958970605.db2.gz YJAOXHCKLBMOKH-QGZVFWFLSA-N -1 0 343.314 2.956 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588542889 958974446 /nfs/dbraw/zinc/97/44/46/958974446.db2.gz FLIOFCUEKKFIRH-SDDRHHMPSA-N -1 0 333.413 2.923 20 30 EFEDRM C#CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000149681849 959022179 /nfs/dbraw/zinc/02/21/79/959022179.db2.gz GSJNYBIBHNRVON-ZDUSSCGKSA-N -1 0 325.817 2.805 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588581712 959264264 /nfs/dbraw/zinc/26/42/64/959264264.db2.gz BNLABEDVVDDOAA-SNVBAGLBSA-N -1 0 325.286 2.521 20 30 EFEDRM C[C@@H](C(=O)[O-])N(c1ccc(C#N)c(Br)c1F)C1CC1 ZINC001588596177 959371011 /nfs/dbraw/zinc/37/10/11/959371011.db2.gz CLFFLQDJGQGNJC-ZETCQYMHSA-N -1 0 327.153 2.902 20 30 EFEDRM C[C@@](CNC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573591883 959402271 /nfs/dbraw/zinc/40/22/71/959402271.db2.gz NXTWMXMSXRVFEP-SGWGQVFISA-N -1 0 334.375 2.730 20 30 EFEDRM Cc1nc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)sc1SCC#N ZINC001594455972 959416314 /nfs/dbraw/zinc/41/63/14/959416314.db2.gz DGYAMQFGGWGDIG-CYBMUJFWSA-N -1 0 325.415 2.507 20 30 EFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCSCc1ccccc1C#N ZINC001588635231 959651843 /nfs/dbraw/zinc/65/18/43/959651843.db2.gz XOHNGSKKVUJIDF-CQSZACIVSA-N -1 0 334.441 2.655 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC001588645480 959733670 /nfs/dbraw/zinc/73/36/70/959733670.db2.gz OQCMVHDZJGYBJV-OAHLLOKOSA-N -1 0 328.412 2.986 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[C@@H]1C(=O)[O-] ZINC001573748500 960520779 /nfs/dbraw/zinc/52/07/79/960520779.db2.gz GSHFJVMAWGEDSJ-PVUWLOKVSA-N -1 0 341.411 2.688 20 30 EFEDRM CSc1ccc(CNC(=O)c2cccc(C(=O)[O-])c2)cc1C#N ZINC001574257696 960547710 /nfs/dbraw/zinc/54/77/10/960547710.db2.gz UNNCNBYTHJVBEE-UHFFFAOYSA-N -1 0 326.377 2.908 20 30 EFEDRM N#Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])n1 ZINC000236489125 960679643 /nfs/dbraw/zinc/67/96/43/960679643.db2.gz APEJZDWAEQAVPJ-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573791877 960760666 /nfs/dbraw/zinc/76/06/66/960760666.db2.gz ZHWGBIQMZYCWRJ-UHFFFAOYSA-N -1 0 332.400 2.942 20 30 EFEDRM CCOC(=O)COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC001318946580 960921593 /nfs/dbraw/zinc/92/15/93/960921593.db2.gz YJQKCYOLFBVYBL-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001322656502 961009123 /nfs/dbraw/zinc/00/91/23/961009123.db2.gz KXFQCGJIUYBGFI-GOSISDBHSA-N -1 0 337.375 2.953 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C#N ZINC001574367193 961045812 /nfs/dbraw/zinc/04/58/12/961045812.db2.gz AZVLHCORLOUEGC-MRXNPFEDSA-N -1 0 329.400 2.796 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C#N ZINC001588734781 961130151 /nfs/dbraw/zinc/13/01/51/961130151.db2.gz ZKRWGSHFBXAKKB-GSJFWJNXSA-N -1 0 331.372 2.720 20 30 EFEDRM CCCOc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OC ZINC001573860599 961170611 /nfs/dbraw/zinc/17/06/11/961170611.db2.gz VNZXVZYPJYZEIJ-SGTLLEGYSA-N -1 0 348.399 2.666 20 30 EFEDRM C=CCO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001328744525 961224981 /nfs/dbraw/zinc/22/49/81/961224981.db2.gz NLRFUCNUJKZSCO-CYBMUJFWSA-N -1 0 340.217 2.924 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588757413 961226167 /nfs/dbraw/zinc/22/61/67/961226167.db2.gz BSYJIAMCENPQDH-OAHLLOKOSA-N -1 0 329.400 2.710 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588758319 961235268 /nfs/dbraw/zinc/23/52/68/961235268.db2.gz OTVKVXFZTMIQRE-GJZGRUSLSA-N -1 0 329.400 2.929 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001588809767 961516859 /nfs/dbraw/zinc/51/68/59/961516859.db2.gz WKUGSJIMNJFSGI-CYBMUJFWSA-N -1 0 329.381 2.977 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)C(C)(C)CC(=O)[O-])cc1OC ZINC001332591062 961596789 /nfs/dbraw/zinc/59/67/89/961596789.db2.gz SANANTXRCYFLCA-NTMALXAHSA-N -1 0 347.411 2.985 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC001574479927 961654147 /nfs/dbraw/zinc/65/41/47/961654147.db2.gz QQRJQJSLDCSBTA-LRDDRELGSA-N -1 0 342.301 2.879 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001574485860 961679735 /nfs/dbraw/zinc/67/97/35/961679735.db2.gz LGUUIGUYJJVZMX-MRXNPFEDSA-N -1 0 329.400 2.530 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001574489053 961700857 /nfs/dbraw/zinc/70/08/57/961700857.db2.gz GFCYQXRNJGWVNP-OAHLLOKOSA-N -1 0 336.351 2.851 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001574489594 961704652 /nfs/dbraw/zinc/70/46/52/961704652.db2.gz KYVGSOWAAVBBGG-CMDGGOBGSA-N -1 0 332.319 2.556 20 30 EFEDRM N#Cc1ccccc1N(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C1CCC1 ZINC001574490241 961713553 /nfs/dbraw/zinc/71/35/53/961713553.db2.gz YDTWERJYNPXKSI-GDBMZVCRSA-N -1 0 342.395 2.714 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001573991167 961827523 /nfs/dbraw/zinc/82/75/23/961827523.db2.gz BYTKMSVUINWAFM-UHFFFAOYSA-N -1 0 349.390 2.915 20 30 EFEDRM COc1c(NC(=O)c2ccccc2OCC#N)cccc1C(=O)[O-] ZINC001571170324 962043809 /nfs/dbraw/zinc/04/38/09/962043809.db2.gz CYHSBPVAIWTCBD-UHFFFAOYSA-N -1 0 326.308 2.548 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001571170456 962043825 /nfs/dbraw/zinc/04/38/25/962043825.db2.gz FIWJIKIGXWZSBO-GOSISDBHSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1ccc(CN2CCOc3c(cccc3C(=O)[O-])C2)c(F)c1 ZINC001571170583 962044878 /nfs/dbraw/zinc/04/48/78/962044878.db2.gz GZBMHJNTZYYYLY-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM CC(C)CN(CCC#N)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588871226 962086087 /nfs/dbraw/zinc/08/60/87/962086087.db2.gz RJVUULZBXBPGMU-OAHLLOKOSA-N -1 0 333.432 2.952 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001571180579 962152446 /nfs/dbraw/zinc/15/24/46/962152446.db2.gz BAOAWBHPJAPVPT-GGZYXLCDSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(CNC(=O)Nc2cccc(OCC#N)c2)oc1C(=O)[O-] ZINC001571182304 962173097 /nfs/dbraw/zinc/17/30/97/962173097.db2.gz SGDSSDOTCKRWLS-UHFFFAOYSA-N -1 0 329.312 2.510 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(=O)[O-] ZINC001344494146 962179654 /nfs/dbraw/zinc/17/96/54/962179654.db2.gz YNIGUAJQPUSXSA-LBPRGKRZSA-N -1 0 336.775 2.515 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)CC(=O)[O-] ZINC001588887288 962180040 /nfs/dbraw/zinc/18/00/40/962180040.db2.gz CFGXAKJWEWQHFL-PODYEWJSSA-N -1 0 335.375 2.661 20 30 EFEDRM C=CCCC(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000263121554 962275230 /nfs/dbraw/zinc/27/52/30/962275230.db2.gz VHSUURRVMOHVHD-ZDUSSCGKSA-N -1 0 338.201 2.753 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588910949 962295679 /nfs/dbraw/zinc/29/56/79/962295679.db2.gz LSZLPMOPDVWFIJ-KGLIPLIRSA-N -1 0 333.436 2.642 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccc1C#N ZINC001571202648 962379817 /nfs/dbraw/zinc/37/98/17/962379817.db2.gz OAXDTJINZVZWCA-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM C[C@](O)(CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1Cl ZINC001571202680 962381844 /nfs/dbraw/zinc/38/18/44/962381844.db2.gz OPEXIZCONGKUFL-INIZCTEOSA-N -1 0 331.759 2.624 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588935890 962502277 /nfs/dbraw/zinc/50/22/77/962502277.db2.gz FHDDZMSPHVNDDV-ZIAGYGMSSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588935889 962502294 /nfs/dbraw/zinc/50/22/94/962502294.db2.gz FHDDZMSPHVNDDV-UONOGXRCSA-N -1 0 346.383 2.554 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001571218054 962527442 /nfs/dbraw/zinc/52/74/42/962527442.db2.gz ROJHQBGVXRQZOK-ZWKOTPCHSA-N -1 0 334.375 2.807 20 30 EFEDRM N#CC[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001571218208 962529756 /nfs/dbraw/zinc/52/97/56/962529756.db2.gz VYRVINIWYUEDCJ-ZWKOTPCHSA-N -1 0 334.375 2.894 20 30 EFEDRM CC(C)[C@H](NC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001588956041 962594693 /nfs/dbraw/zinc/59/46/93/962594693.db2.gz JLGGJTQNBRDXGQ-RYUDHWBXSA-N -1 0 343.305 2.570 20 30 EFEDRM C#CC1(NS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])CCCC1 ZINC001573301633 962631858 /nfs/dbraw/zinc/63/18/58/962631858.db2.gz BPRDMUSJOQEEFQ-UHFFFAOYSA-N -1 0 343.404 2.762 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001573301895 962640291 /nfs/dbraw/zinc/64/02/91/962640291.db2.gz MNVXRGRVNBUHRH-UHFFFAOYSA-N -1 0 341.338 2.959 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001573303037 962668715 /nfs/dbraw/zinc/66/87/15/962668715.db2.gz JLJQYOADVKETDX-MRXNPFEDSA-N -1 0 344.798 2.954 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001573303071 962669987 /nfs/dbraw/zinc/66/99/87/962669987.db2.gz UTZYGSKXCQZPOG-BXKDBHETSA-N -1 0 347.371 2.715 20 30 EFEDRM C#CCOc1ccc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1 ZINC001573310615 962688196 /nfs/dbraw/zinc/68/81/96/962688196.db2.gz ACYZJAZZNHMOAC-GOSISDBHSA-N -1 0 335.359 2.663 20 30 EFEDRM C#CCOc1ccc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1 ZINC001573310616 962688961 /nfs/dbraw/zinc/68/89/61/962688961.db2.gz ACYZJAZZNHMOAC-SFHVURJKSA-N -1 0 335.359 2.663 20 30 EFEDRM C#CCN(CC)c1nnc([C@H](C)CC)n1CC1CCN(C(=O)[O-])CC1 ZINC001573310623 962689316 /nfs/dbraw/zinc/68/93/16/962689316.db2.gz AFNRQQPTSINSIA-CQSZACIVSA-N -1 0 347.463 2.641 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])nc1 ZINC001573311754 962711123 /nfs/dbraw/zinc/71/11/23/962711123.db2.gz GIEZCGHSKBCOKL-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001573311967 962717423 /nfs/dbraw/zinc/71/74/23/962717423.db2.gz LBQRQNHKGCTBID-JOCQHMNTSA-N -1 0 344.386 2.784 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1 ZINC001573312341 962721689 /nfs/dbraw/zinc/72/16/89/962721689.db2.gz SAZRATYCQQKPGZ-UHFFFAOYSA-N -1 0 337.331 2.780 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573317520 962745084 /nfs/dbraw/zinc/74/50/84/962745084.db2.gz CMRQGOXHEXMHFC-FQEVSTJZSA-N -1 0 337.375 2.819 20 30 EFEDRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001588982964 962749961 /nfs/dbraw/zinc/74/99/61/962749961.db2.gz IJLXJYLDIGDVMS-MRXNPFEDSA-N -1 0 330.344 2.667 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573321293 962757038 /nfs/dbraw/zinc/75/70/38/962757038.db2.gz KZSMTMQDFBMXLS-DZGCQCFKSA-N -1 0 333.388 2.557 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(C)cc1Br)C(=O)[O-] ZINC001573321513 962759040 /nfs/dbraw/zinc/75/90/40/962759040.db2.gz NRSGETOYNAQWKD-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)OCC ZINC001573322189 962766315 /nfs/dbraw/zinc/76/63/15/962766315.db2.gz VHGOFYAQTKZADQ-BRWVUGGUSA-N -1 0 331.412 2.685 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001573323654 962775006 /nfs/dbraw/zinc/77/50/06/962775006.db2.gz FAHKPCBUXFESEW-HNNXBMFYSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001573324456 962784952 /nfs/dbraw/zinc/78/49/52/962784952.db2.gz UFMVNBZZTNSSPO-CQSZACIVSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001573324800 962790870 /nfs/dbraw/zinc/79/08/70/962790870.db2.gz YNQKZVLDCLDYHZ-OAHLLOKOSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573326234 962802756 /nfs/dbraw/zinc/80/27/56/962802756.db2.gz USXMJNLSCDRVDK-CYBMUJFWSA-N -1 0 330.388 2.724 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001573332087 962825041 /nfs/dbraw/zinc/82/50/41/962825041.db2.gz IHWQADUHMYQGEU-CQSZACIVSA-N -1 0 331.368 2.542 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001573332999 962848013 /nfs/dbraw/zinc/84/80/13/962848013.db2.gz VGRDBUUROMVVHP-HOTGVXAUSA-N -1 0 339.819 2.935 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001573333062 962849770 /nfs/dbraw/zinc/84/97/70/962849770.db2.gz WMPAEYSJCLRNDO-AWEZNQCLSA-N -1 0 331.368 2.542 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC001573333141 962851241 /nfs/dbraw/zinc/85/12/41/962851241.db2.gz WBIRJXLJEHTTGN-SNVBAGLBSA-N -1 0 330.167 2.964 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N=c1sccn1Cc1ccccc1F ZINC001573333191 962852539 /nfs/dbraw/zinc/85/25/39/962852539.db2.gz XRRBZBMDGUFINT-UHFFFAOYSA-N -1 0 334.372 2.585 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC001573333348 962856319 /nfs/dbraw/zinc/85/63/19/962856319.db2.gz ZBYJAAIDEKDBIH-UHFFFAOYSA-N -1 0 338.201 2.975 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001573338702 962879858 /nfs/dbraw/zinc/87/98/58/962879858.db2.gz GNDSHNUNHKBDQF-UHFFFAOYSA-N -1 0 329.711 2.625 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573343845 962909862 /nfs/dbraw/zinc/90/98/62/962909862.db2.gz KDTCOLFBYQUOLS-LBPRGKRZSA-N -1 0 326.828 2.530 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001573344430 962918949 /nfs/dbraw/zinc/91/89/49/962918949.db2.gz XWNDAZJVSSVKSH-UHFFFAOYSA-N -1 0 325.773 2.569 20 30 EFEDRM C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573350398 962968276 /nfs/dbraw/zinc/96/82/76/962968276.db2.gz HPGMWXKCOCIXSN-CQSZACIVSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001573352687 962989664 /nfs/dbraw/zinc/98/96/64/962989664.db2.gz HVLIZIXFBQSBRP-UHFFFAOYSA-N -1 0 329.393 2.855 20 30 EFEDRM C=CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)C(=O)[O-] ZINC001573353031 962996396 /nfs/dbraw/zinc/99/63/96/962996396.db2.gz ODWJBRDKPFHNDB-SJORKVTESA-N -1 0 331.412 2.702 20 30 EFEDRM C=CCCC[C@H](NC(=O)COc1ccc(F)cc1Cl)C(=O)[O-] ZINC001573357772 963022032 /nfs/dbraw/zinc/02/20/32/963022032.db2.gz SFUNGJNPEJDXFN-LBPRGKRZSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCN(C)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573360151 963033965 /nfs/dbraw/zinc/03/39/65/963033965.db2.gz IUSRYIVQIMELNH-UHFFFAOYSA-N -1 0 341.415 2.991 20 30 EFEDRM C=CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)Cc1ccc(OC)cc1 ZINC001573360807 963042481 /nfs/dbraw/zinc/04/24/81/963042481.db2.gz XMVDEPWMKRBZBI-UHFFFAOYSA-N -1 0 342.395 2.901 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)CCc1ocnc1C(=O)[O-] ZINC001573360753 963042571 /nfs/dbraw/zinc/04/25/71/963042571.db2.gz WUAGHTUAAQKZKV-UHFFFAOYSA-N -1 0 344.367 2.842 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC001573366036 963056316 /nfs/dbraw/zinc/05/63/16/963056316.db2.gz JPXZXFZWXRIRSW-NEPJUHHUSA-N -1 0 339.404 2.541 20 30 EFEDRM C=CCCCCNC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001573366018 963057264 /nfs/dbraw/zinc/05/72/64/963057264.db2.gz JPDLWBLVAACWBG-UHFFFAOYSA-N -1 0 332.400 2.817 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001573368149 963075180 /nfs/dbraw/zinc/07/51/80/963075180.db2.gz BEIDLJZTXCPWOS-YOEHRIQHSA-N -1 0 333.428 2.761 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001573379291 963106984 /nfs/dbraw/zinc/10/69/84/963106984.db2.gz BJNHUMRMNYQBQA-KOLCDFICSA-N -1 0 332.381 2.833 20 30 EFEDRM C#CCCCC(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001588440441 964037692 /nfs/dbraw/zinc/03/76/92/964037692.db2.gz UKSVJZJZZIXLMZ-UHFFFAOYSA-N -1 0 340.173 2.898 20 30 EFEDRM C#CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588441805 964054384 /nfs/dbraw/zinc/05/43/84/964054384.db2.gz KLXNNUGIQXSGTH-UHFFFAOYSA-N -1 0 341.367 2.623 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588445173 964065571 /nfs/dbraw/zinc/06/55/71/964065571.db2.gz CKLIOUKQTNKELE-JTDSTZFVSA-N -1 0 328.412 2.922 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C)C(=O)[O-])s1 ZINC001588445875 964067002 /nfs/dbraw/zinc/06/70/02/964067002.db2.gz UQKMOBAPGQIXEN-ZETCQYMHSA-N -1 0 348.877 2.676 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cc(C)cc1Br ZINC000159872466 967652014 /nfs/dbraw/zinc/65/20/14/967652014.db2.gz SSRYAXUQLALJMF-UHFFFAOYSA-N -1 0 339.189 2.618 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000848452782 969260875 /nfs/dbraw/zinc/26/08/75/969260875.db2.gz ANTFNJGNWXWQRK-TUKIKUTGSA-N -1 0 332.400 2.532 20 30 EFEDRM C[C@@](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)(C(=O)[O-])c1ccccc1 ZINC000902014337 969506330 /nfs/dbraw/zinc/50/63/30/969506330.db2.gz WRUSHCQCIXTEPO-FDDYUBGGSA-N -1 0 340.423 2.865 20 30 EFEDRM C[C@@](CNC(=O)[C@]1(C#N)CC2CCC1CC2)(C(=O)[O-])c1ccccc1 ZINC000902014339 969506401 /nfs/dbraw/zinc/50/64/01/969506401.db2.gz WRUSHCQCIXTEPO-PNQJHCTGSA-N -1 0 340.423 2.865 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCC3(C(=O)[O-])CCC3)CCCC2)cc1 ZINC000902087032 969515850 /nfs/dbraw/zinc/51/58/50/969515850.db2.gz ITPCUBLDVODLPL-UHFFFAOYSA-N -1 0 326.396 2.741 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001609885910 970575076 /nfs/dbraw/zinc/57/50/76/970575076.db2.gz SIMYVPHYOAWMBC-NSHDSACASA-N -1 0 343.408 2.949 20 30 EFEDRM C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001609903422 970598261 /nfs/dbraw/zinc/59/82/61/970598261.db2.gz CPEWFJXBVBEUSN-BMIGLBTASA-N -1 0 342.317 2.930 20 30 EFEDRM CN(C(=O)CSc1ncccc1C(=O)[O-])C1(C#N)CCCCC1 ZINC000320708903 970702851 /nfs/dbraw/zinc/70/28/51/970702851.db2.gz TWVPMJOOZJYRAG-UHFFFAOYSA-N -1 0 333.413 2.557 20 30 EFEDRM Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)CCCCC(=O)[O-] ZINC001605074562 972700950 /nfs/dbraw/zinc/70/09/50/972700950.db2.gz QZIYRSRTGDUODR-UHFFFAOYSA-N -1 0 326.356 2.636 20 30 EFEDRM Cc1ccc(N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cc1Br ZINC001605284511 973081521 /nfs/dbraw/zinc/08/15/21/973081521.db2.gz DVZVPSITJBCIAR-AWEZNQCLSA-N -1 0 339.189 2.725 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001606043894 973148010 /nfs/dbraw/zinc/14/80/10/973148010.db2.gz SISCVWTXPFCMFC-UHFFFAOYSA-N -1 0 337.379 2.894 20 30 EFEDRM Cc1cccc(C2=CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)c1C ZINC001605335548 973217628 /nfs/dbraw/zinc/21/76/28/973217628.db2.gz HKNVCBMYEUOKGB-LJQANCHMSA-N -1 0 326.396 2.924 20 30 EFEDRM Cc1nc(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(Cl)cc1C#N ZINC001605410656 973411993 /nfs/dbraw/zinc/41/19/93/973411993.db2.gz CQXDWJJTFOIJLS-BWBHSNQOSA-N -1 0 335.791 2.739 20 30 EFEDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001603496597 973450587 /nfs/dbraw/zinc/45/05/87/973450587.db2.gz NYJHBEWKGVIHQR-OAHLLOKOSA-N -1 0 339.351 2.681 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C\c1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001605437518 973482073 /nfs/dbraw/zinc/48/20/73/973482073.db2.gz DSQZEKGBLFPMHN-HYXAFXHYSA-N -1 0 343.383 2.519 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001605576715 973851051 /nfs/dbraw/zinc/85/10/51/973851051.db2.gz SHXVQQIDHLIRAD-IRXDYDNUSA-N -1 0 328.412 2.862 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001605585482 973875561 /nfs/dbraw/zinc/87/55/61/973875561.db2.gz CIXNSZZBDYCQAL-CYBMUJFWSA-N -1 0 349.362 2.979 20 30 EFEDRM N#Cc1cc(N2CCCC[C@@H]2CC(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001605591811 973889046 /nfs/dbraw/zinc/88/90/46/973889046.db2.gz ASTNNXHHUFSJQV-GFCCVEGCSA-N -1 0 340.339 2.848 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001605597218 973896168 /nfs/dbraw/zinc/89/61/68/973896168.db2.gz HOGXZBFPEOAOEC-INIZCTEOSA-N -1 0 330.347 2.690 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001605611120 973915113 /nfs/dbraw/zinc/91/51/13/973915113.db2.gz GIWHWIBDRJGTHV-HNNXBMFYSA-N -1 0 327.315 2.515 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001605612266 973924381 /nfs/dbraw/zinc/92/43/81/973924381.db2.gz JVQHMIBTZYFROO-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM N#Cc1ccc2ncc(CN3CC[C@@H](C(=O)[O-])c4ccccc43)n2c1 ZINC001605612334 973925294 /nfs/dbraw/zinc/92/52/94/973925294.db2.gz MMDLWHOGBOXGFX-MRXNPFEDSA-N -1 0 332.363 2.784 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001605619610 973938279 /nfs/dbraw/zinc/93/82/79/973938279.db2.gz AVWFGKATLPVFQX-UHFFFAOYSA-N -1 0 330.290 2.665 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cn2)c1 ZINC001605619647 973938934 /nfs/dbraw/zinc/93/89/34/973938934.db2.gz DCRIKOGCZCOJDJ-UHFFFAOYSA-N -1 0 325.324 2.939 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001605619988 973940975 /nfs/dbraw/zinc/94/09/75/973940975.db2.gz OZSLRSGNXHKVFH-UHFFFAOYSA-N -1 0 330.290 2.916 20 30 EFEDRM N#Cc1cccc(OCc2cccc(-c3nc(CC(=O)[O-])no3)c2)c1 ZINC001605619990 973941034 /nfs/dbraw/zinc/94/10/34/973941034.db2.gz PVGWINLUJVRFMY-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605619874 973941227 /nfs/dbraw/zinc/94/12/27/973941227.db2.gz KZQBAUGTQRXJNP-MWLUNVDJSA-N -1 0 346.386 2.898 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603857977 974359031 /nfs/dbraw/zinc/35/90/31/974359031.db2.gz YAQIAMMFVXINIS-VMPITWQZSA-N -1 0 327.292 2.867 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001591758383 975834126 /nfs/dbraw/zinc/83/41/26/975834126.db2.gz AQCWZTJOUDVLGW-CHWSQXEVSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001591758384 975834169 /nfs/dbraw/zinc/83/41/69/975834169.db2.gz AQCWZTJOUDVLGW-OLZOCXBDSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001591759328 975841211 /nfs/dbraw/zinc/84/12/11/975841211.db2.gz ZMBRKZLMUNGZRM-UHFFFAOYSA-N -1 0 343.339 2.958 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C#N)C1 ZINC001591763354 975867775 /nfs/dbraw/zinc/86/77/75/975867775.db2.gz PZEYNPGPUDQEAD-LBPRGKRZSA-N -1 0 331.372 2.939 20 30 EFEDRM C=C1CN(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C1 ZINC000689014168 976201074 /nfs/dbraw/zinc/20/10/74/976201074.db2.gz HKERNKAPENNJJZ-UHFFFAOYSA-N -1 0 325.162 2.859 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3C[C@H](C(=O)[O-])C[C@H](O)C3)c2c1 ZINC001591981666 976599173 /nfs/dbraw/zinc/59/91/73/976599173.db2.gz WBBQMHIIGOBPIQ-HIFRSBDPSA-N -1 0 339.395 2.502 20 30 EFEDRM CC(C)c1ccccc1NC(=S)NN=Cc1cc(C(=O)[O-])no1 ZINC001591999120 976647968 /nfs/dbraw/zinc/64/79/68/976647968.db2.gz XSCMNKYYWBMCAI-UHFFFAOYSA-N -1 0 332.385 2.817 20 30 EFEDRM C#CCCN(CCOC)Cc1ccc(C(=O)[O-])cc1Br ZINC000697459677 976845179 /nfs/dbraw/zinc/84/51/79/976845179.db2.gz GEIPDOCTDLMDAL-UHFFFAOYSA-N -1 0 340.217 2.619 20 30 EFEDRM Cc1nc(C#N)cc(Oc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000700716228 976965213 /nfs/dbraw/zinc/96/52/13/976965213.db2.gz HFJJYBVGANKDEG-UHFFFAOYSA-N -1 0 334.129 2.910 20 30 EFEDRM Cc1cc(C#N)nc(Oc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000700720504 976965641 /nfs/dbraw/zinc/96/56/41/976965641.db2.gz ZCMQLYPMRIJPKO-UHFFFAOYSA-N -1 0 334.129 2.910 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001592221301 977396126 /nfs/dbraw/zinc/39/61/26/977396126.db2.gz BBEQLOZCHSMKEB-MRVPVSSYSA-N -1 0 345.277 2.750 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001592221574 977400966 /nfs/dbraw/zinc/40/09/66/977400966.db2.gz KWLOCMKBLJJHKF-LURJTMIESA-N -1 0 344.140 2.710 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001592222157 977405202 /nfs/dbraw/zinc/40/52/02/977405202.db2.gz RWQWGIINYAYRLY-NSHDSACASA-N -1 0 327.340 2.727 20 30 EFEDRM C[C@@H](CC#N)C(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001592222073 977405282 /nfs/dbraw/zinc/40/52/82/977405282.db2.gz QXJNLQMLQIOTEL-QMMMGPOBSA-N -1 0 326.146 2.740 20 30 EFEDRM C[C@@H](CC#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Br ZINC001592222290 977406387 /nfs/dbraw/zinc/40/63/87/977406387.db2.gz UKVGGFXPWWAKBI-GZMMTYOYSA-N -1 0 326.146 2.668 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@H](CC#N)c1ccccc1)c1ccccn1 ZINC001592278371 977563615 /nfs/dbraw/zinc/56/36/15/977563615.db2.gz UMKDWICTJQGWCG-DNVCBOLYSA-N -1 0 337.379 2.585 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)CC1(C#N)CCCCC1)c1cccnc1 ZINC001592280440 977569157 /nfs/dbraw/zinc/56/91/57/977569157.db2.gz GTCHRHMRVSCUGU-QGZVFWFLSA-N -1 0 329.400 2.752 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1ccccn1 ZINC001592296508 977626582 /nfs/dbraw/zinc/62/65/82/977626582.db2.gz ARPOQESLRLBLSX-GOSISDBHSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1cccnc1 ZINC001592296852 977630930 /nfs/dbraw/zinc/63/09/30/977630930.db2.gz CDGUZCLDRZUKHN-HNNXBMFYSA-N -1 0 330.369 2.526 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1cccnc1 ZINC001592296853 977630961 /nfs/dbraw/zinc/63/09/61/977630961.db2.gz CDGUZCLDRZUKHN-OAHLLOKOSA-N -1 0 330.369 2.526 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1[nH]c2ccccc2c1C#N)c1ccncc1 ZINC001592297613 977638399 /nfs/dbraw/zinc/63/83/99/977638399.db2.gz LWBDDRAUSBNULP-LJQANCHMSA-N -1 0 348.362 2.554 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC001592303444 977656911 /nfs/dbraw/zinc/65/69/11/977656911.db2.gz CEPXLAJOLIZALN-SFHVURJKSA-N -1 0 344.317 2.956 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)c(C#N)c1)c1cccnc1 ZINC001592303660 977658684 /nfs/dbraw/zinc/65/86/84/977658684.db2.gz FHLPFBRNRHXWKA-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccn1 ZINC001592304722 977666945 /nfs/dbraw/zinc/66/69/45/977666945.db2.gz PHRKJYKENAEPIU-LJQANCHMSA-N -1 0 349.390 2.757 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001592361757 977850410 /nfs/dbraw/zinc/85/04/10/977850410.db2.gz AMPMGTRFGXVSMA-LLVKDONJSA-N -1 0 325.324 2.795 20 30 EFEDRM C[C@H](CCC#N)c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1CC1CC1 ZINC001592470157 978217775 /nfs/dbraw/zinc/21/77/75/978217775.db2.gz DSPIVQVKHVRCKA-VNHYZAJKSA-N -1 0 345.447 2.642 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736202613 978308965 /nfs/dbraw/zinc/30/89/65/978308965.db2.gz OWQGZJQPYSIBRM-GFCCVEGCSA-N -1 0 330.388 2.608 20 30 EFEDRM C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736544156 978341636 /nfs/dbraw/zinc/34/16/36/978341636.db2.gz ANYQQDMOUJDUJA-JTQLQIEISA-N -1 0 328.290 2.636 20 30 EFEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)CC(=O)[O-])cc1 ZINC000738073629 978473285 /nfs/dbraw/zinc/47/32/85/978473285.db2.gz IWWIDGUWUYPEDV-UHFFFAOYSA-N -1 0 326.308 2.772 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000738168141 978493464 /nfs/dbraw/zinc/49/34/64/978493464.db2.gz IIPKRHFTYYUEDL-SNVBAGLBSA-N -1 0 342.351 2.826 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(C(=O)[O-])CC1 ZINC000738252239 978508227 /nfs/dbraw/zinc/50/82/27/978508227.db2.gz YNDUEJMDLRFDOY-UHFFFAOYSA-N -1 0 337.335 2.857 20 30 EFEDRM N#CCc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000738426461 978537174 /nfs/dbraw/zinc/53/71/74/978537174.db2.gz PTCZVCNTUNYDHK-MRXNPFEDSA-N -1 0 337.379 2.818 20 30 EFEDRM N#Cc1ccc(SCC(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000738434346 978537898 /nfs/dbraw/zinc/53/78/98/978537898.db2.gz BFEZCPHWYNCHHA-MRXNPFEDSA-N -1 0 341.388 2.889 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2nnc(-c3ccccn3)s2)cc1 ZINC000788027785 978796240 /nfs/dbraw/zinc/79/62/40/978796240.db2.gz HIXQBTZOILQTSI-UHFFFAOYSA-N -1 0 325.353 2.744 20 30 EFEDRM COC(=O)c1ccc(Cl)c(C=NNc2ccc(C(=O)[O-])cn2)c1 ZINC000794857055 978822997 /nfs/dbraw/zinc/82/29/97/978822997.db2.gz CAEVAVOSFLVEHN-UHFFFAOYSA-N -1 0 333.731 2.666 20 30 EFEDRM O=C([O-])Cn1cc(CN=Nc2ccncc2Cl)c2ccccc21 ZINC000799880977 978844703 /nfs/dbraw/zinc/84/47/03/978844703.db2.gz KFENXXHQGLSDOH-UHFFFAOYSA-N -1 0 328.759 2.642 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cn1)c1cc2c(C)nn(C)c2s1 ZINC000807981043 978851722 /nfs/dbraw/zinc/85/17/22/978851722.db2.gz BQWNTGYSDZITCD-UHFFFAOYSA-N -1 0 329.385 2.873 20 30 EFEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000812444321 978869281 /nfs/dbraw/zinc/86/92/81/978869281.db2.gz CLWODJZMKIAOEP-UHFFFAOYSA-N -1 0 345.311 2.756 20 30 EFEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OC(C)=O ZINC000812444894 978870036 /nfs/dbraw/zinc/87/00/36/978870036.db2.gz OQABFMQRNFVFLT-UHFFFAOYSA-N -1 0 328.324 2.765 20 30 EFEDRM C[C@@H]1C(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC[C@H]1CC(=O)[O-] ZINC000814730640 978877781 /nfs/dbraw/zinc/87/77/81/978877781.db2.gz QTECNZYVPBOICH-VOAKCMCISA-N -1 0 325.478 2.906 20 30 EFEDRM C[C@@H]1CCC[C@H](NC(=S)NN=C2CCC(C(=O)[O-])CC2)[C@@H]1C ZINC000814758880 978882165 /nfs/dbraw/zinc/88/21/65/978882165.db2.gz KILJYIINWZMJOG-OCNDCOMTSA-N -1 0 325.478 2.906 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCc2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814786078 978885171 /nfs/dbraw/zinc/88/51/71/978885171.db2.gz TYQMTMMNWUNOOK-PWSUYJOCSA-N -1 0 337.420 2.667 20 30 EFEDRM CN(CCCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000830763451 979021384 /nfs/dbraw/zinc/02/13/84/979021384.db2.gz YCBJTXJOWWCKNL-UHFFFAOYSA-N -1 0 329.278 2.906 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(C(=O)[O-])[nH]3)S2)c1 ZINC000832971408 979062531 /nfs/dbraw/zinc/06/25/31/979062531.db2.gz YWSLHLXOUTZHIE-JYRVWZFOSA-N -1 0 327.365 2.913 20 30 EFEDRM CC[C@H](CC#N)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595029811 979161417 /nfs/dbraw/zinc/16/14/17/979161417.db2.gz GRHFJZXNEIJBRZ-SECBINFHSA-N -1 0 344.198 2.912 20 30 EFEDRM CC[C@@H](C)n1nccc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595030039 979163517 /nfs/dbraw/zinc/16/35/17/979163517.db2.gz KGPXREOUNLAZRE-CYBMUJFWSA-N -1 0 326.352 2.761 20 30 EFEDRM CC[C@H](CC#N)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595030245 979164975 /nfs/dbraw/zinc/16/49/75/979164975.db2.gz MLUCBHHYHQUGSF-MRVPVSSYSA-N -1 0 340.177 2.961 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)nc1 ZINC000833367890 979171852 /nfs/dbraw/zinc/17/18/52/979171852.db2.gz ANGFXOSZYFEUGR-CQSZACIVSA-N -1 0 333.702 2.838 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(C#N)c(Cl)c1 ZINC001595043927 979246790 /nfs/dbraw/zinc/24/67/90/979246790.db2.gz QDHLSPODGZMCKG-UHFFFAOYSA-N -1 0 337.759 2.829 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001592781500 979415061 /nfs/dbraw/zinc/41/50/61/979415061.db2.gz XXAKKLPTOIRGLO-ZDUSSCGKSA-N -1 0 339.347 2.810 20 30 EFEDRM CCC(CC)CN(CCC#N)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001595111856 979461709 /nfs/dbraw/zinc/46/17/09/979461709.db2.gz YQJGTZXTHCMZMN-UHFFFAOYSA-N -1 0 331.416 2.975 20 30 EFEDRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595128385 979527713 /nfs/dbraw/zinc/52/77/13/979527713.db2.gz RMLNQEGWKZKSSW-MRXNPFEDSA-N -1 0 343.427 2.798 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000851618594 979544577 /nfs/dbraw/zinc/54/45/77/979544577.db2.gz LRBMVGNSBFMIDC-SQNIBIBYSA-N -1 0 341.407 2.804 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001592833647 979571309 /nfs/dbraw/zinc/57/13/09/979571309.db2.gz IFKFWOHSEIQQJL-KDOFPFPSSA-N -1 0 336.391 2.721 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001592833846 979572529 /nfs/dbraw/zinc/57/25/29/979572529.db2.gz KMMQLSHOHLQNJU-CQSZACIVSA-N -1 0 328.412 2.888 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592834298 979575840 /nfs/dbraw/zinc/57/58/40/979575840.db2.gz OXBFCKHBIUECEZ-VWPFQQQWSA-N -1 0 328.412 2.837 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001592834401 979576726 /nfs/dbraw/zinc/57/67/26/979576726.db2.gz PXFOTMGNAHQFDH-ABAIWWIYSA-N -1 0 328.393 2.740 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001592834406 979576791 /nfs/dbraw/zinc/57/67/91/979576791.db2.gz PXFOTMGNAHQFDH-NHYWBVRUSA-N -1 0 328.393 2.740 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001592834584 979577451 /nfs/dbraw/zinc/57/74/51/979577451.db2.gz RUTYZNFGSTWYCO-CQSZACIVSA-N -1 0 336.391 2.794 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592834826 979580423 /nfs/dbraw/zinc/58/04/23/979580423.db2.gz YEQCAXXKAFIVJA-SUMWQHHRSA-N -1 0 328.412 2.887 20 30 EFEDRM CC[C@](CNC(=O)c1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595158693 979670015 /nfs/dbraw/zinc/67/00/15/979670015.db2.gz BMZYQOQMUHSMQC-LJQANCHMSA-N -1 0 340.354 2.860 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000864145440 979750477 /nfs/dbraw/zinc/75/04/77/979750477.db2.gz IKZBZZHORDXJQH-LPHOPBHVSA-N -1 0 333.428 2.663 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC000864146121 979751436 /nfs/dbraw/zinc/75/14/36/979751436.db2.gz RKERSGWJEUJJGV-KRWDZBQOSA-N -1 0 327.380 2.544 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000872739178 980131295 /nfs/dbraw/zinc/13/12/95/980131295.db2.gz AHVUAEIZHKPQCU-DLBZAZTESA-N -1 0 331.412 2.861 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000887329583 980220810 /nfs/dbraw/zinc/22/08/10/980220810.db2.gz KKXOCQKCRBAXKF-UHFFFAOYSA-N -1 0 325.430 2.584 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)n1 ZINC000901313407 980260763 /nfs/dbraw/zinc/26/07/63/980260763.db2.gz ICVGQNRVTBAWQY-NXEZZACHSA-N -1 0 340.811 2.955 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)cc1OC)(C(=O)[O-])c1ccccc1 ZINC001595265901 980279100 /nfs/dbraw/zinc/27/91/00/980279100.db2.gz KFPLXTJKWSCRAO-IBGZPJMESA-N -1 0 338.363 2.687 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265979 980279755 /nfs/dbraw/zinc/27/97/55/980279755.db2.gz OWQJHNFVEUJUPQ-INIZCTEOSA-N -1 0 331.759 2.660 20 30 EFEDRM C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593039547 980318891 /nfs/dbraw/zinc/31/88/91/980318891.db2.gz BHIBFKJHUILIDO-KDOFPFPSSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCC(F)(F)CC1 ZINC001593051710 980350540 /nfs/dbraw/zinc/35/05/40/980350540.db2.gz MLHFYIUSSPJDNW-LLVKDONJSA-N -1 0 343.374 2.600 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cc3n(n2)CCCC3)cc1)C(=O)[O-] ZINC000901562940 980383755 /nfs/dbraw/zinc/38/37/55/980383755.db2.gz HXCYJSLYDRHKKH-PGJNLMOESA-N -1 0 340.379 2.967 20 30 EFEDRM C=CCOC[C@@H](NCc1cnc(-c2ccc(C)cc2)s1)C(=O)[O-] ZINC000901810838 980531543 /nfs/dbraw/zinc/53/15/43/980531543.db2.gz NTGSTORDDZAFFS-OAHLLOKOSA-N -1 0 332.425 2.864 20 30 EFEDRM CC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H](C)C(=O)[O-] ZINC001595343344 980623830 /nfs/dbraw/zinc/62/38/30/980623830.db2.gz ATMUQKFOTLVIEY-MFKMUULPSA-N -1 0 330.340 2.907 20 30 EFEDRM CC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H](C)C(=O)[O-] ZINC001595343337 980623883 /nfs/dbraw/zinc/62/38/83/980623883.db2.gz ATMUQKFOTLVIEY-GWCFXTLKSA-N -1 0 330.340 2.907 20 30 EFEDRM CC[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](C)C(=O)[O-] ZINC001595353130 980678266 /nfs/dbraw/zinc/67/82/66/980678266.db2.gz NKZWHPVSURHDBD-GMSGAONNSA-N -1 0 330.262 2.628 20 30 EFEDRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595358654 980734324 /nfs/dbraw/zinc/73/43/24/980734324.db2.gz OWSHJOVUNLJNBR-CQSZACIVSA-N -1 0 332.425 2.774 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC000902984440 980949286 /nfs/dbraw/zinc/94/92/86/980949286.db2.gz QBRLONKIJPNZRD-UHFFFAOYSA-N -1 0 341.429 2.554 20 30 EFEDRM CCC[C@@](C)(NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001595546586 981412536 /nfs/dbraw/zinc/41/25/36/981412536.db2.gz BRFXLBCUIVZNQC-GOSISDBHSA-N -1 0 332.400 2.867 20 30 EFEDRM CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595593516 981557231 /nfs/dbraw/zinc/55/72/31/981557231.db2.gz BPRRNGFAFUAOCD-INIZCTEOSA-N -1 0 343.427 2.798 20 30 EFEDRM CCC[C@@H]1C[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001595620479 981690094 /nfs/dbraw/zinc/69/00/94/981690094.db2.gz JRPKWZJXDNKHHB-DLBZAZTESA-N -1 0 330.380 2.875 20 30 EFEDRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001594762363 981698649 /nfs/dbraw/zinc/69/86/49/981698649.db2.gz VHUSDWNIXZGJHW-AWEZNQCLSA-N -1 0 325.324 2.795 20 30 EFEDRM CCCC[C@@H](CC)CNC(=S)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595632813 981860594 /nfs/dbraw/zinc/86/05/94/981860594.db2.gz RQPQHVVTXPIZOP-CYBMUJFWSA-N -1 0 325.478 2.768 20 30 EFEDRM CC[C@@](C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001594846588 982067981 /nfs/dbraw/zinc/06/79/81/982067981.db2.gz GVPQAUFIJCGSLM-GOSISDBHSA-N -1 0 342.351 2.713 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595704256 982272191 /nfs/dbraw/zinc/27/21/91/982272191.db2.gz ACZRQVRHFZRKOH-UHFFFAOYSA-N -1 0 344.389 2.542 20 30 EFEDRM CC[C@H](C)C[C@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001594945986 982637337 /nfs/dbraw/zinc/63/73/37/982637337.db2.gz UOTKZYQKGNMEBH-JSGCOSHPSA-N -1 0 327.384 2.784 20 30 EFEDRM CCCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@H](C)C(=O)[O-] ZINC001595815992 982670261 /nfs/dbraw/zinc/67/02/61/982670261.db2.gz GPNNSKIQQBVQAO-CYBMUJFWSA-N -1 0 349.456 2.682 20 30 EFEDRM N#CC1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000923105411 982728019 /nfs/dbraw/zinc/72/80/19/982728019.db2.gz APJFSGQGOUUWQR-NSHDSACASA-N -1 0 333.413 2.631 20 30 EFEDRM N#Cc1ccc(OCC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC000923211732 982842875 /nfs/dbraw/zinc/84/28/75/982842875.db2.gz QXHICBAHUZQBHR-UHFFFAOYSA-N -1 0 330.384 2.621 20 30 EFEDRM CCOC(=O)COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC001116212824 982923826 /nfs/dbraw/zinc/92/38/26/982923826.db2.gz KLICQGDRCCWINW-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM C#CCN(CC1CC1)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001119654221 983021358 /nfs/dbraw/zinc/02/13/58/983021358.db2.gz SSJLJXKEZBPBLP-UHFFFAOYSA-N -1 0 336.185 2.633 20 30 EFEDRM CCC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001596019871 983282310 /nfs/dbraw/zinc/28/23/10/983282310.db2.gz VTZIGFIQIBZVQX-HNNXBMFYSA-N -1 0 327.384 2.928 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588366953 983295848 /nfs/dbraw/zinc/29/58/48/983295848.db2.gz CQGAKHAWVRWLJL-UHFFFAOYSA-N -1 0 325.162 2.681 20 30 EFEDRM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588368337 983305666 /nfs/dbraw/zinc/30/56/66/983305666.db2.gz KNDNQDUHVNKHBD-NSHDSACASA-N -1 0 325.324 2.715 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588369164 983311878 /nfs/dbraw/zinc/31/18/78/983311878.db2.gz DGNYTEGMEFLBBZ-ZETCQYMHSA-N -1 0 343.152 2.820 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001588369864 983317883 /nfs/dbraw/zinc/31/78/83/983317883.db2.gz ZDHWFYGBTUYBPZ-GFCCVEGCSA-N -1 0 329.308 2.520 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372026 983327086 /nfs/dbraw/zinc/32/70/86/983327086.db2.gz BRUIBZFRLHLNMD-UXIGCNINSA-N -1 0 334.803 2.767 20 30 EFEDRM C#C[C@@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC001588372250 983329158 /nfs/dbraw/zinc/32/91/58/983329158.db2.gz GNNPYCNZCHHHKC-MRXNPFEDSA-N -1 0 344.342 2.941 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372277 983329502 /nfs/dbraw/zinc/32/95/02/983329502.db2.gz HCDCWISAURGTNE-SMDDNHRTSA-N -1 0 336.750 2.626 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588373109 983336814 /nfs/dbraw/zinc/33/68/14/983336814.db2.gz AAZSSSFUMQWNEG-MRXNPFEDSA-N -1 0 338.363 2.567 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588375546 983345437 /nfs/dbraw/zinc/34/54/37/983345437.db2.gz BDRUXBLPUXHSRR-OAHLLOKOSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001588376306 983350574 /nfs/dbraw/zinc/35/05/74/983350574.db2.gz SEXLGCOPWPKCPR-LLVKDONJSA-N -1 0 347.795 2.504 20 30 EFEDRM C#C[C@@H](OC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC001588376410 983351269 /nfs/dbraw/zinc/35/12/69/983351269.db2.gz SZVNGBPWHVFJFV-GFCCVEGCSA-N -1 0 330.764 2.905 20 30 EFEDRM C#C[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC001588377484 983356989 /nfs/dbraw/zinc/35/69/89/983356989.db2.gz MOYPMLFYYJHJGT-HZPDHXFCSA-N -1 0 342.420 2.779 20 30 EFEDRM C#C[C@@H]1CCCCN1S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588382905 983375196 /nfs/dbraw/zinc/37/51/96/983375196.db2.gz VWRJERJCIVIKNS-CYBMUJFWSA-N -1 0 343.404 2.714 20 30 EFEDRM C#C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588383239 983379307 /nfs/dbraw/zinc/37/93/07/983379307.db2.gz QGLPFRVEMATASB-GOEBONIOSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC1CCN(S(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)CC1 ZINC001588384049 983386462 /nfs/dbraw/zinc/38/64/62/983386462.db2.gz TZBLBZHSIONQCK-UHFFFAOYSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC(=C)C ZINC001588389782 983388284 /nfs/dbraw/zinc/38/82/84/983388284.db2.gz ASZFRZXRDQUWRS-OWCLPIDISA-N -1 0 344.459 2.918 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CC=C ZINC001588389956 983390052 /nfs/dbraw/zinc/39/00/52/983390052.db2.gz GTKFHJLWGIHWRT-QWQRMKEZSA-N -1 0 330.432 2.528 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCc3cc(C(=O)[O-])ccc3C2)n1C ZINC001588390103 983391444 /nfs/dbraw/zinc/39/14/44/983391444.db2.gz KZDQELPAXNYRET-ZDUSSCGKSA-N -1 0 338.411 2.593 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(C)C ZINC001588390143 983392073 /nfs/dbraw/zinc/39/20/73/983392073.db2.gz MBSGYQMRKDVNMY-QLFBSQMISA-N -1 0 332.448 2.608 20 30 EFEDRM C#CC[C@H](COC)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588393736 983399916 /nfs/dbraw/zinc/39/99/16/983399916.db2.gz GBWZMFWTZVOCSM-GFCCVEGCSA-N -1 0 326.352 2.698 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588395121 983404956 /nfs/dbraw/zinc/40/49/56/983404956.db2.gz PQEQATFDSZQPIA-KRWDZBQOSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588395875 983406915 /nfs/dbraw/zinc/40/69/15/983406915.db2.gz VBBFEEZXMVQSBY-JKSUJKDBSA-N -1 0 346.427 2.566 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1ccccc1Oc1ccc(C)cc1)C(=O)[O-] ZINC001588407497 983428239 /nfs/dbraw/zinc/42/82/39/983428239.db2.gz ISYWQHVNAJWKOO-KRWDZBQOSA-N -1 0 337.375 2.923 20 30 EFEDRM C#CC[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001588408060 983430289 /nfs/dbraw/zinc/43/02/89/983430289.db2.gz WHMHNWHKDHGKRL-GOSISDBHSA-N -1 0 336.391 2.878 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001588413545 983431079 /nfs/dbraw/zinc/43/10/79/983431079.db2.gz APQVBNVPFHDWCK-MRXNPFEDSA-N -1 0 344.798 2.954 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)[O-] ZINC001588413819 983432031 /nfs/dbraw/zinc/43/20/31/983432031.db2.gz JFEANCRLXZUSFA-KRWDZBQOSA-N -1 0 345.358 2.503 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001588415692 983435633 /nfs/dbraw/zinc/43/56/33/983435633.db2.gz FJUYGLGRNBHKPS-CQSZACIVSA-N -1 0 329.377 2.778 20 30 EFEDRM C#CC[C@H](NC(=O)c1cccc2c(Br)cccc12)C(=O)[O-] ZINC001588416481 983436770 /nfs/dbraw/zinc/43/67/70/983436770.db2.gz NDCNPFMSXWXHIA-AWEZNQCLSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001588421496 983441314 /nfs/dbraw/zinc/44/13/14/983441314.db2.gz KKVPZUMDVMJCKM-GFCCVEGCSA-N -1 0 348.811 2.978 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001588422410 983446281 /nfs/dbraw/zinc/44/62/81/983446281.db2.gz XSRZHJXLUQCXJX-AWEZNQCLSA-N -1 0 343.404 2.842 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCOCC1 ZINC001588427959 983458903 /nfs/dbraw/zinc/45/89/03/983458903.db2.gz SWMZHRANBCQCBD-UHFFFAOYSA-N -1 0 348.424 2.801 20 30 EFEDRM C#CCC1(NS(=O)(=O)Cc2ccccc2C(=O)[O-])CCCCC1 ZINC001588428044 983459765 /nfs/dbraw/zinc/45/97/65/983459765.db2.gz YOQLQTLERSXQQM-UHFFFAOYSA-N -1 0 335.425 2.530 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001588431436 983464632 /nfs/dbraw/zinc/46/46/32/983464632.db2.gz IICBHJRYHDYOPE-ZDUSSCGKSA-N -1 0 330.384 2.798 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC001588431979 983466786 /nfs/dbraw/zinc/46/67/86/983466786.db2.gz UBAZZLGREZKSPR-UHFFFAOYSA-N -1 0 339.388 2.528 20 30 EFEDRM C#CC[C@H]1CCN(S(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)C1 ZINC001588434680 983472039 /nfs/dbraw/zinc/47/20/39/983472039.db2.gz QBWGUOXAISOIRF-ZDUSSCGKSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCCOC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588455430 983479771 /nfs/dbraw/zinc/47/97/71/983479771.db2.gz MYULJIBKBUGNAQ-GFCCVEGCSA-N -1 0 329.274 2.971 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001588457915 983482498 /nfs/dbraw/zinc/48/24/98/983482498.db2.gz JNSRRYFCYVVPGF-UHFFFAOYSA-N -1 0 344.392 2.815 20 30 EFEDRM CCN(C(=O)CCCCOc1cccc(C#N)c1)C(C)(C)C(=O)[O-] ZINC001596137431 983486414 /nfs/dbraw/zinc/48/64/14/983486414.db2.gz LKFXGNWMWIMAGS-UHFFFAOYSA-N -1 0 332.400 2.819 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001588465688 983495771 /nfs/dbraw/zinc/49/57/71/983495771.db2.gz CIEGXYYKDRKCMV-HNNXBMFYSA-N -1 0 337.803 2.743 20 30 EFEDRM CCN(C(=O)CON=Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001596145433 983501186 /nfs/dbraw/zinc/50/11/86/983501186.db2.gz JXVBCLATWQKMOK-UHFFFAOYSA-N -1 0 332.400 2.917 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001588469922 983503845 /nfs/dbraw/zinc/50/38/45/983503845.db2.gz ULZUYCPKELFECE-UHFFFAOYSA-N -1 0 325.339 2.728 20 30 EFEDRM CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@H](C)c1ccc(C#N)cc1 ZINC001596156812 983516837 /nfs/dbraw/zinc/51/68/37/983516837.db2.gz NNDPLYGZLSHEBP-XOKHGSTOSA-N -1 0 344.411 2.880 20 30 EFEDRM CCN(C(=O)c1cc(C)c(C#N)c(C)c1)c1ncc(C(=O)[O-])s1 ZINC001596164866 983528347 /nfs/dbraw/zinc/52/83/47/983528347.db2.gz VOFIRNLBFTXZOI-UHFFFAOYSA-N -1 0 329.381 2.997 20 30 EFEDRM C#CCOc1cccc([C@H](C)OC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001588498044 983542996 /nfs/dbraw/zinc/54/29/96/983542996.db2.gz SCQMPBMJWPFKSI-LBPRGKRZSA-N -1 0 325.320 2.710 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588498094 983543350 /nfs/dbraw/zinc/54/33/50/983543350.db2.gz WAXGYRUKUHOUIU-YPMHNXCESA-N -1 0 334.347 2.603 20 30 EFEDRM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])n2C)c1 ZINC001588498111 983543372 /nfs/dbraw/zinc/54/33/72/983543372.db2.gz WPBWONODDVTSSJ-LBPRGKRZSA-N -1 0 327.336 2.653 20 30 EFEDRM C#CCOc1cccc(COC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001588498115 983543504 /nfs/dbraw/zinc/54/35/04/983543504.db2.gz WQVNNVGJZYHHOB-UHFFFAOYSA-N -1 0 328.295 2.893 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ocnc1C(=O)[O-] ZINC001588504013 983546157 /nfs/dbraw/zinc/54/61/57/983546157.db2.gz DDXQMJNFFBLRJS-GFCCVEGCSA-N -1 0 343.335 2.622 20 30 EFEDRM C#CCSCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588505978 983550503 /nfs/dbraw/zinc/55/05/03/983550503.db2.gz CLOYVGQUCOUGSQ-UHFFFAOYSA-N -1 0 332.425 2.680 20 30 EFEDRM C#CCSCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588506593 983552191 /nfs/dbraw/zinc/55/21/91/983552191.db2.gz YTYVRHDBIRPCEG-QGZVFWFLSA-N -1 0 341.432 2.566 20 30 EFEDRM C#CCSc1ccc(COC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001588509358 983552428 /nfs/dbraw/zinc/55/24/28/983552428.db2.gz ADURWKGAONEKPD-UHFFFAOYSA-N -1 0 345.376 2.774 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])nc1 ZINC001588510352 983555358 /nfs/dbraw/zinc/55/53/58/983555358.db2.gz BAVFJXCPDFFMIT-GOSISDBHSA-N -1 0 342.782 2.532 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001588511300 983559284 /nfs/dbraw/zinc/55/92/84/983559284.db2.gz UDIZVKLKXVLVGH-KNBMTAEXSA-N -1 0 340.423 2.616 20 30 EFEDRM CCN(C)C(=O)c1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001596188473 983562074 /nfs/dbraw/zinc/56/20/74/983562074.db2.gz SNJBDXGPXITBQD-UHFFFAOYSA-N -1 0 338.363 2.927 20 30 EFEDRM C#Cc1cccc(CNC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC001588517854 983566951 /nfs/dbraw/zinc/56/69/51/983566951.db2.gz HWRBALXUDYRKGC-UHFFFAOYSA-N -1 0 326.352 2.609 20 30 EFEDRM C#Cc1ccc(NC(=O)NCCc2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001588518090 983567845 /nfs/dbraw/zinc/56/78/45/983567845.db2.gz PVKAJHIPINZIAN-UHFFFAOYSA-N -1 0 349.799 2.840 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001588524528 983575463 /nfs/dbraw/zinc/57/54/63/983575463.db2.gz MWBBPDRSRANOJN-OKZBNKHCSA-N -1 0 325.408 2.702 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588534580 983586230 /nfs/dbraw/zinc/58/62/30/983586230.db2.gz AJYVFWLAUWBEGI-OTYXRUKQSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-])OCC ZINC001588534702 983586630 /nfs/dbraw/zinc/58/66/30/983586630.db2.gz IERNCGZJIQWBLB-GFCCVEGCSA-N -1 0 325.336 2.842 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588535589 983589854 /nfs/dbraw/zinc/58/98/54/983589854.db2.gz JQOLJVOKYWADEY-ZBEGNZNMSA-N -1 0 343.383 2.969 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588536662 983595330 /nfs/dbraw/zinc/59/53/30/983595330.db2.gz TXZJRPHOYHAROC-PBHICJAKSA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCOc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588541372 983607205 /nfs/dbraw/zinc/60/72/05/983607205.db2.gz XUPLQWXULNBBSB-ZDUSSCGKSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC001588542844 983610060 /nfs/dbraw/zinc/61/00/60/983610060.db2.gz ABLMYQPNOORTHV-LLVKDONJSA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2c[nH]c3ccccc32)n[nH]1)C(=O)[O-] ZINC001588543300 983611353 /nfs/dbraw/zinc/61/13/53/983611353.db2.gz FMWUKBGOBDUHML-MRXNPFEDSA-N -1 0 338.367 2.707 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)c(F)cc1F)C(=O)[O-] ZINC001588544194 983613409 /nfs/dbraw/zinc/61/34/09/983613409.db2.gz WURDOZZDIWSBBJ-NSHDSACASA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC001588546220 983614299 /nfs/dbraw/zinc/61/42/99/983614299.db2.gz AWWYORSOLFTZJP-QGZVFWFLSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(F)cc(Br)c1F)C(=O)[O-] ZINC001588546361 983615252 /nfs/dbraw/zinc/61/52/52/983615252.db2.gz IBIODEQALFDMCO-JTQLQIEISA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)C(=O)[O-] ZINC001588547449 983620355 /nfs/dbraw/zinc/62/03/55/983620355.db2.gz KBBKPYDYWJJNCO-CYBMUJFWSA-N -1 0 349.337 2.608 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588547930 983622232 /nfs/dbraw/zinc/62/22/32/983622232.db2.gz JDBFFJURUUQUHB-ZDUSSCGKSA-N -1 0 346.408 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588548981 983625931 /nfs/dbraw/zinc/62/59/31/983625931.db2.gz ZYAPYLDUYXWVEB-SJORKVTESA-N -1 0 345.395 2.776 20 30 EFEDRM C=C(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001588555142 983632988 /nfs/dbraw/zinc/63/29/88/983632988.db2.gz ZMDQTEYRXZWTFL-VIFPVBQESA-N -1 0 330.138 2.584 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC001588555685 983636615 /nfs/dbraw/zinc/63/66/15/983636615.db2.gz PEEYNUBYRXBJQC-OAHLLOKOSA-N -1 0 345.420 2.636 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1csc2ccccc21)C(=O)[O-] ZINC001588555696 983636641 /nfs/dbraw/zinc/63/66/41/983636641.db2.gz PMRZVNBBZHYECM-LLVKDONJSA-N -1 0 325.411 2.599 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc([C@H](C)CC)cc1)C(=O)[O-] ZINC001588555780 983637054 /nfs/dbraw/zinc/63/70/54/983637054.db2.gz RXAVALXJBZCYHF-DOMZBBRYSA-N -1 0 325.430 2.898 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc([C@@H](C)CC)cc1)C(=O)[O-] ZINC001588555782 983637461 /nfs/dbraw/zinc/63/74/61/983637461.db2.gz RXAVALXJBZCYHF-SWLSCSKDSA-N -1 0 325.430 2.898 20 30 EFEDRM C=C(C)CCNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588559532 983640238 /nfs/dbraw/zinc/64/02/38/983640238.db2.gz PFDLBLMDHLNETQ-UHFFFAOYSA-N -1 0 331.416 2.937 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588561538 983641887 /nfs/dbraw/zinc/64/18/87/983641887.db2.gz JWQREKKDDYLNFR-UHFFFAOYSA-N -1 0 329.356 2.738 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001588562759 983643818 /nfs/dbraw/zinc/64/38/18/983643818.db2.gz GXOLDABTZWEMKN-WLYUNCDWSA-N -1 0 348.447 2.622 20 30 EFEDRM C=C(C)CN1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001588584753 983661931 /nfs/dbraw/zinc/66/19/31/983661931.db2.gz GCBQUGGXCNCJRP-UHFFFAOYSA-N -1 0 326.190 2.918 20 30 EFEDRM C=C(C)Cn1c(-c2cocn2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588589619 983667652 /nfs/dbraw/zinc/66/76/52/983667652.db2.gz REHVHPJJAKHPOV-UHFFFAOYSA-N -1 0 345.403 2.590 20 30 EFEDRM C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588589938 983668508 /nfs/dbraw/zinc/66/85/08/983668508.db2.gz VAFPTYUGTPYLQM-MRXNPFEDSA-N -1 0 347.444 2.587 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588592270 983676689 /nfs/dbraw/zinc/67/66/89/983676689.db2.gz VDWJASQFSPCOPL-IYOUNJFTSA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588598206 983682347 /nfs/dbraw/zinc/68/23/47/983682347.db2.gz VMPBSNDBIHPZKK-ZIAGYGMSSA-N -1 0 334.464 2.990 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588599140 983688253 /nfs/dbraw/zinc/68/82/53/983688253.db2.gz HBOASJBCMFCBDN-DEYYWGMASA-N -1 0 348.447 2.785 20 30 EFEDRM C=C(CC(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC001588605312 983691923 /nfs/dbraw/zinc/69/19/23/983691923.db2.gz HBXVZLRVGZAXTK-CQSZACIVSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C(CC)C(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC001588605566 983693507 /nfs/dbraw/zinc/69/35/07/983693507.db2.gz GVCOCUUQCDKIRX-UHFFFAOYSA-N -1 0 345.136 2.894 20 30 EFEDRM C=C(CC)C(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001588605829 983694715 /nfs/dbraw/zinc/69/47/15/983694715.db2.gz PMVQARFYLDDLJY-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=C(CC)C(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001588605830 983695378 /nfs/dbraw/zinc/69/53/78/983695378.db2.gz PMVQARFYLDDLJY-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=C(CC)C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588606230 983696806 /nfs/dbraw/zinc/69/68/06/983696806.db2.gz ZNBLUWBFKXLLJQ-HNNXBMFYSA-N -1 0 336.819 2.576 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001588606365 983697138 /nfs/dbraw/zinc/69/71/38/983697138.db2.gz ZGAVEMUUOLUWSS-UKRRQHHQSA-N -1 0 330.340 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC001588611996 983701512 /nfs/dbraw/zinc/70/15/12/983701512.db2.gz DWJNVUFAPDNRNG-MRXNPFEDSA-N -1 0 343.379 2.763 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001588614201 983706568 /nfs/dbraw/zinc/70/65/68/983706568.db2.gz NXEVAPUIIZSXQF-UHFFFAOYSA-N -1 0 333.359 2.668 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC001588615038 983709828 /nfs/dbraw/zinc/70/98/28/983709828.db2.gz IDVFSIWMOBSFHR-HNNXBMFYSA-N -1 0 333.384 2.788 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001588615410 983711841 /nfs/dbraw/zinc/71/18/41/983711841.db2.gz SSQBGQJLHINNIX-HUUCEWRRSA-N -1 0 335.400 2.895 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2ccc(Br)cc2C1 ZINC001588619300 983715873 /nfs/dbraw/zinc/71/58/73/983715873.db2.gz QDVOMNVEODJRND-UHFFFAOYSA-N -1 0 338.201 2.755 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C ZINC001588619600 983717952 /nfs/dbraw/zinc/71/79/52/983717952.db2.gz YZRNJTXFIVOUIC-UHFFFAOYSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001588619616 983717959 /nfs/dbraw/zinc/71/79/59/983717959.db2.gz ZLANVYQZOJLWEN-LBPRGKRZSA-N -1 0 337.173 2.551 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001588622258 983722939 /nfs/dbraw/zinc/72/29/39/983722939.db2.gz SMQXLXKHJVTELW-JKSUJKDBSA-N -1 0 331.412 2.908 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC001588622508 983724051 /nfs/dbraw/zinc/72/40/51/983724051.db2.gz ZYSUGPDGDLHOLN-QGZVFWFLSA-N -1 0 333.384 2.692 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1c(OC)ccc2ccccc21 ZINC001588624425 983732048 /nfs/dbraw/zinc/73/20/48/983732048.db2.gz IHHFOUSWPZDAFT-UHFFFAOYSA-N -1 0 327.380 2.928 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc2ccccc2c(C(=O)OC)c1 ZINC001588629779 983739406 /nfs/dbraw/zinc/73/94/06/983739406.db2.gz SXVUWNFINRCHFN-UHFFFAOYSA-N -1 0 327.336 2.986 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001588629843 983739850 /nfs/dbraw/zinc/73/98/50/983739850.db2.gz KWOJWDDNXQBKRQ-UHFFFAOYSA-N -1 0 333.384 2.679 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC001588630188 983742424 /nfs/dbraw/zinc/74/24/24/983742424.db2.gz TVNWOGARZXFJCP-UHFFFAOYSA-N -1 0 344.436 2.966 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC001588633036 983747145 /nfs/dbraw/zinc/74/71/45/983747145.db2.gz GQFJZPOSTXEPOW-LLVKDONJSA-N -1 0 337.445 2.735 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC001588633037 983747219 /nfs/dbraw/zinc/74/72/19/983747219.db2.gz GQFJZPOSTXEPOW-NSHDSACASA-N -1 0 337.445 2.735 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC001588633631 983750563 /nfs/dbraw/zinc/75/05/63/983750563.db2.gz LAXUNSKBVSIMKD-HOTGVXAUSA-N -1 0 333.384 2.728 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCC)cc1C(=O)OCC ZINC001588634183 983752539 /nfs/dbraw/zinc/75/25/39/983752539.db2.gz SVPLLZDYAYKCIS-UHFFFAOYSA-N -1 0 335.356 2.622 20 30 EFEDRM C=C(CNC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001588637886 983761547 /nfs/dbraw/zinc/76/15/47/983761547.db2.gz YFGHUEKWPLIOQT-UHFFFAOYSA-N -1 0 326.352 2.985 20 30 EFEDRM C=C(Cl)C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)C(=O)OCC ZINC001588641658 983762751 /nfs/dbraw/zinc/76/27/51/983762751.db2.gz HRXYMZSDDGTVMN-LURJTMIESA-N -1 0 339.200 2.981 20 30 EFEDRM C=C(Cl)CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588641860 983763479 /nfs/dbraw/zinc/76/34/79/983763479.db2.gz KHTYUFVLTNKMEZ-UHFFFAOYSA-N -1 0 334.706 2.903 20 30 EFEDRM C=C(Cn1c(CC)nnc1N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588643874 983767593 /nfs/dbraw/zinc/76/75/93/983767593.db2.gz VHCNBAVSAUTJMU-UHFFFAOYSA-N -1 0 340.427 2.855 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588644282 983769074 /nfs/dbraw/zinc/76/90/74/983769074.db2.gz MYZLKBRBDHJPKF-GASCZTMLSA-N -1 0 349.452 2.921 20 30 EFEDRM C=C1CCC(C(=O)N2c3c(cccc3C(=O)[O-])NC(=O)[C@@H]2C)CC1 ZINC001588644366 983769483 /nfs/dbraw/zinc/76/94/83/983769483.db2.gz RUFCPPFAGMOZCG-NSHDSACASA-N -1 0 328.368 2.805 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001588644380 983769485 /nfs/dbraw/zinc/76/94/85/983769485.db2.gz SUNGDNFTYXDUDO-AOOOYVTPSA-N -1 0 343.351 2.535 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)CC1 ZINC001588649955 983771361 /nfs/dbraw/zinc/77/13/61/983771361.db2.gz NWKDITZSDRQLTD-UHFFFAOYSA-N -1 0 341.404 2.857 20 30 EFEDRM C=C[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588663039 983793150 /nfs/dbraw/zinc/79/31/50/983793150.db2.gz BQGXSTYCKZSEIB-IRXDYDNUSA-N -1 0 327.355 2.907 20 30 EFEDRM C=C[C@H](C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001588664030 983797620 /nfs/dbraw/zinc/79/76/20/983797620.db2.gz MTMAMADHGSJXHT-UONOGXRCSA-N -1 0 325.368 2.502 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC001588664558 983801904 /nfs/dbraw/zinc/80/19/04/983801904.db2.gz RSOOZCRICPEFPB-IRXDYDNUSA-N -1 0 325.364 2.907 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001588670008 983816622 /nfs/dbraw/zinc/81/66/22/983816622.db2.gz TUBSNMZESMXMEF-OAHLLOKOSA-N -1 0 343.254 2.793 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588673228 983828997 /nfs/dbraw/zinc/82/89/97/983828997.db2.gz NCUYRJYRCXETPK-FVRSWCFKSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CC(C)(C)CNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588676907 983832224 /nfs/dbraw/zinc/83/22/24/983832224.db2.gz JUTYRJAEYHJIPF-CQSZACIVSA-N -1 0 345.443 2.817 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588677166 983833803 /nfs/dbraw/zinc/83/38/03/983833803.db2.gz VRRITXBWHSXLLG-UHFFFAOYSA-N -1 0 331.478 2.933 20 30 EFEDRM C=C[C@@H](C)ONC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588687820 983871969 /nfs/dbraw/zinc/87/19/69/983871969.db2.gz SRIKOCBIHMATIB-SNVBAGLBSA-N -1 0 347.396 2.814 20 30 EFEDRM C=C[C@H](CC(=O)Nc1c(C(=O)OC)c[nH]c1C(=O)[O-])c1ccccc1 ZINC001588691287 983879496 /nfs/dbraw/zinc/87/94/96/983879496.db2.gz WWDYOZYYIBHVEX-LLVKDONJSA-N -1 0 342.351 2.798 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001588691356 983880033 /nfs/dbraw/zinc/88/00/33/983880033.db2.gz YVFRMWXJFSSCTL-WDEREUQCSA-N -1 0 336.363 2.569 20 30 EFEDRM C=C[C@@H](N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] ZINC001588694862 983898733 /nfs/dbraw/zinc/89/87/33/983898733.db2.gz FNPOBAQVRDQJKL-NEPJUHHUSA-N -1 0 343.210 2.718 20 30 EFEDRM C=C[C@H](N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] ZINC001588694864 983898937 /nfs/dbraw/zinc/89/89/37/983898937.db2.gz FNPOBAQVRDQJKL-NWDGAFQWSA-N -1 0 343.210 2.718 20 30 EFEDRM CCN(c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1)C(C)C ZINC001596383118 983906973 /nfs/dbraw/zinc/90/69/73/983906973.db2.gz RPWKKIYGTIYAPO-UHFFFAOYSA-N -1 0 343.427 2.752 20 30 EFEDRM C=C[C@H](OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C(=O)[O-] ZINC001588712367 983943690 /nfs/dbraw/zinc/94/36/90/983943690.db2.gz KDEBVHOWTOBUFS-LBPRGKRZSA-N -1 0 325.748 2.731 20 30 EFEDRM C=C[C@@H](OC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C(=O)[O-] ZINC001588712366 983943706 /nfs/dbraw/zinc/94/37/06/983943706.db2.gz KDEBVHOWTOBUFS-GFCCVEGCSA-N -1 0 325.748 2.731 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001588712506 983944865 /nfs/dbraw/zinc/94/48/65/983944865.db2.gz MIWMFKASNNANMA-SECBINFHSA-N -1 0 341.385 2.915 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001588719581 983961569 /nfs/dbraw/zinc/96/15/69/983961569.db2.gz WBQTWSWOXVQSOF-CYBMUJFWSA-N -1 0 339.413 2.513 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588719688 983962309 /nfs/dbraw/zinc/96/23/09/983962309.db2.gz WYQSKJJPJKCAMR-LLVKDONJSA-N -1 0 329.805 2.767 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588735464 984017861 /nfs/dbraw/zinc/01/78/61/984017861.db2.gz AKXLBSLGEFVQGJ-ZETCQYMHSA-N -1 0 338.212 2.935 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccncc1 ZINC001588743054 984035809 /nfs/dbraw/zinc/03/58/09/984035809.db2.gz QKDHHYZTCSFVMX-ZDUSSCGKSA-N -1 0 331.397 2.958 20 30 EFEDRM C=CCC(F)(F)C(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001588743040 984035989 /nfs/dbraw/zinc/03/59/89/984035989.db2.gz QHROBPYRCVLJNV-UHFFFAOYSA-N -1 0 345.298 2.561 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588743690 984039337 /nfs/dbraw/zinc/03/93/37/984039337.db2.gz BOQZNNOXCPOUHZ-JEWRLFTDSA-N -1 0 328.412 2.726 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001588743870 984040173 /nfs/dbraw/zinc/04/01/73/984040173.db2.gz DTPWYKPONIVSIJ-CYBMUJFWSA-N -1 0 345.424 2.828 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC001588756074 984096526 /nfs/dbraw/zinc/09/65/26/984096526.db2.gz GTVUIQVGXZRCRQ-SSDOTTSWSA-N -1 0 330.312 2.759 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC001588757109 984101378 /nfs/dbraw/zinc/10/13/78/984101378.db2.gz VNBQRTFFEXMHMO-UDZFHETQSA-N -1 0 335.331 2.606 20 30 EFEDRM C=CC[C@H](OC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)[O-] ZINC001588757557 984103732 /nfs/dbraw/zinc/10/37/32/984103732.db2.gz BAKFTSICXRFFOS-VIFPVBQESA-N -1 0 334.294 2.843 20 30 EFEDRM C=CC[C@@H](OC(=O)c1sc(N2CCCC2)nc1Cl)C(=O)[O-] ZINC001588758656 984106777 /nfs/dbraw/zinc/10/67/77/984106777.db2.gz HRJHCEQOMBFDDQ-MRVPVSSYSA-N -1 0 330.793 2.583 20 30 EFEDRM C=CC[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)[O-] ZINC001588762800 984117301 /nfs/dbraw/zinc/11/73/01/984117301.db2.gz MYDBMARWFAULJH-RYUDHWBXSA-N -1 0 334.353 2.704 20 30 EFEDRM C=CCC1(CNC(=O)N2CCSC[C@H](C(=O)[O-])C2)CCCC1 ZINC001588767016 984127639 /nfs/dbraw/zinc/12/76/39/984127639.db2.gz DPWKVFMRPQDBJE-CYBMUJFWSA-N -1 0 326.462 2.582 20 30 EFEDRM C=CCC1(CNC(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CCCC1 ZINC001588767309 984130030 /nfs/dbraw/zinc/13/00/30/984130030.db2.gz UIMHHNVKMSZVSF-CYBMUJFWSA-N -1 0 346.431 2.852 20 30 EFEDRM C=CCC1([NH2+]Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CCCC1 ZINC001588769285 984132832 /nfs/dbraw/zinc/13/28/32/984132832.db2.gz RHWOTWULXVGDGC-UHFFFAOYSA-N -1 0 347.440 2.970 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588770773 984136294 /nfs/dbraw/zinc/13/62/94/984136294.db2.gz GKXLANYNJKKENE-ZYHUDNBSSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC001588771064 984137327 /nfs/dbraw/zinc/13/73/27/984137327.db2.gz NIGBGJGLXPIOIA-CQSZACIVSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588771007 984137443 /nfs/dbraw/zinc/13/74/43/984137443.db2.gz LENBFUZKPMJOEP-JSGCOSHPSA-N -1 0 334.420 2.959 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588771473 984140214 /nfs/dbraw/zinc/14/02/14/984140214.db2.gz VURGFPDJEPTQCK-MCIONIFRSA-N -1 0 346.431 2.850 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)C1 ZINC001588771739 984141396 /nfs/dbraw/zinc/14/13/96/984141396.db2.gz ZDVBHOCYTOZZTF-NSHDSACASA-N -1 0 332.356 2.934 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C1 ZINC001588772639 984144221 /nfs/dbraw/zinc/14/42/21/984144221.db2.gz KKVJIFJSBWTSSV-AWEZNQCLSA-N -1 0 337.441 2.978 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1(C)C ZINC001588773699 984148830 /nfs/dbraw/zinc/14/88/30/984148830.db2.gz GFSCIHRSNMRUPU-HZSPNIEDSA-N -1 0 329.462 2.636 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588781745 984167991 /nfs/dbraw/zinc/16/79/91/984167991.db2.gz GADKPPOYDMDREJ-GFCCVEGCSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588785576 984181427 /nfs/dbraw/zinc/18/14/27/984181427.db2.gz IZZHVZMBDDDNMM-GFCCVEGCSA-N -1 0 343.387 2.832 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)C(=O)[O-] ZINC001588789613 984199761 /nfs/dbraw/zinc/19/97/61/984199761.db2.gz GLTGASWEWVERLW-NVXWUHKLSA-N -1 0 344.411 2.722 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC001588792289 984208111 /nfs/dbraw/zinc/20/81/11/984208111.db2.gz BXUKDBJQYOBMIY-GFCCVEGCSA-N -1 0 339.775 2.651 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)ccc1N)C(=O)[O-] ZINC001588792380 984208739 /nfs/dbraw/zinc/20/87/39/984208739.db2.gz FPDIPQQTUQTNKO-LBPRGKRZSA-N -1 0 341.205 2.571 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)C(=O)[O-] ZINC001588792917 984214262 /nfs/dbraw/zinc/21/42/62/984214262.db2.gz QBKCFNWONNUSKI-CYBMUJFWSA-N -1 0 349.337 2.894 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2nc(C)no2)cc1)C(=O)[O-] ZINC001588793111 984216438 /nfs/dbraw/zinc/21/64/38/984216438.db2.gz SPVIBBVGDLLOEJ-AWEZNQCLSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC001588793146 984216678 /nfs/dbraw/zinc/21/66/78/984216678.db2.gz LKCRMGOIBRRWQV-SNVBAGLBSA-N -1 0 327.283 2.547 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ncnn2CC)cc1)C(=O)[O-] ZINC001588793311 984217645 /nfs/dbraw/zinc/21/76/45/984217645.db2.gz WGZDRMNQZLPIHP-HNNXBMFYSA-N -1 0 342.399 2.504 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C(=O)c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588793570 984219981 /nfs/dbraw/zinc/21/99/81/984219981.db2.gz ZKXHOPIPJNVUOC-HNNXBMFYSA-N -1 0 340.379 2.785 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1)C(=O)[O-] ZINC001588793680 984221422 /nfs/dbraw/zinc/22/14/22/984221422.db2.gz WTVDHLJCQMVOTH-OAHLLOKOSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)c2ccccc2[nH]c1=O)C(=O)[O-] ZINC001588793924 984223250 /nfs/dbraw/zinc/22/32/50/984223250.db2.gz FZJKFMZCBNZZST-AWEZNQCLSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1ccccc1 ZINC001588794016 984223475 /nfs/dbraw/zinc/22/34/75/984223475.db2.gz IQHVKPYCVCDNSY-BRWVUGGUSA-N -1 0 346.427 2.873 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)onc1-c1ccncc1)C(=O)[O-] ZINC001588794029 984224331 /nfs/dbraw/zinc/22/43/31/984224331.db2.gz JMAOOQMYERANBQ-ZDUSSCGKSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CC[C@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC001588794347 984226558 /nfs/dbraw/zinc/22/65/58/984226558.db2.gz RMCKFJRZLLFLEA-VQIMIIECSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CCC(=O)[O-] ZINC001588794540 984228283 /nfs/dbraw/zinc/22/82/83/984228283.db2.gz YDZHVAMVEFVNND-ZDUSSCGKSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncc(Cc2ccccc2)o1)C(=O)[O-] ZINC001588797720 984231261 /nfs/dbraw/zinc/23/12/61/984231261.db2.gz JZGGKUQMJOYHMK-HNNXBMFYSA-N -1 0 328.368 2.805 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC001588797921 984232404 /nfs/dbraw/zinc/23/24/04/984232404.db2.gz NVUXUKKNBYRZOQ-ZFWWWQNUSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc2c(C)cc(C)cc2c1O)C(=O)[O-] ZINC001588798164 984233868 /nfs/dbraw/zinc/23/38/68/984233868.db2.gz WIUXORIWDPETCE-HNNXBMFYSA-N -1 0 342.395 2.684 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc2c1CCCC2)C(=O)[O-] ZINC001588798804 984238820 /nfs/dbraw/zinc/23/88/20/984238820.db2.gz RJNWHGBGXRUIMF-HNNXBMFYSA-N -1 0 337.441 2.653 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001588801226 984244061 /nfs/dbraw/zinc/24/40/61/984244061.db2.gz AXNKMQJHCKEDCU-UHFFFAOYSA-N -1 0 333.356 2.640 20 30 EFEDRM C=CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588804024 984253462 /nfs/dbraw/zinc/25/34/62/984253462.db2.gz VNYSMMBZUSFMOD-UHFFFAOYSA-N -1 0 329.356 2.786 20 30 EFEDRM C=CCCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588805993 984257273 /nfs/dbraw/zinc/25/72/73/984257273.db2.gz WXZVHUVLWAAGEI-UHFFFAOYSA-N -1 0 338.429 2.693 20 30 EFEDRM C=CCCN(C)c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001588807697 984261236 /nfs/dbraw/zinc/26/12/36/984261236.db2.gz SLMUIGQMIMGGJX-UHFFFAOYSA-N -1 0 333.775 2.596 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588808922 984264226 /nfs/dbraw/zinc/26/42/26/984264226.db2.gz QEHDGKPYKJTQKG-NEPJUHHUSA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001588814484 984270693 /nfs/dbraw/zinc/27/06/93/984270693.db2.gz AOHBBDKWJSSXJX-UHFFFAOYSA-N -1 0 340.383 2.858 20 30 EFEDRM C=CCCSCCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588814587 984271305 /nfs/dbraw/zinc/27/13/05/984271305.db2.gz GIFRWZVYKBGLOZ-UHFFFAOYSA-N -1 0 334.441 2.762 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001588814631 984271413 /nfs/dbraw/zinc/27/14/13/984271413.db2.gz IYSHOSOQHQRHKO-CJNGLKHVSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCn1cc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)nn1 ZINC001588817592 984276611 /nfs/dbraw/zinc/27/66/11/984276611.db2.gz OJDKBHHPPHOARI-INIZCTEOSA-N -1 0 341.367 2.787 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])nn1 ZINC001588817956 984278048 /nfs/dbraw/zinc/27/80/48/984278048.db2.gz YLOFRIYRCRLQRX-UHFFFAOYSA-N -1 0 334.763 2.767 20 30 EFEDRM C=CCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1 ZINC001588824062 984296520 /nfs/dbraw/zinc/29/65/20/984296520.db2.gz OGKZRFPEENUHPY-UHFFFAOYSA-N -1 0 330.428 2.578 20 30 EFEDRM C=CCN(CC=C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588825188 984299109 /nfs/dbraw/zinc/29/91/09/984299109.db2.gz FYEMVHDCVYJMNQ-UHFFFAOYSA-N -1 0 341.367 2.904 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588826727 984306356 /nfs/dbraw/zinc/30/63/56/984306356.db2.gz SXMWJSAYSGPRHM-UHFFFAOYSA-N -1 0 349.330 2.766 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588826801 984306991 /nfs/dbraw/zinc/30/69/91/984306991.db2.gz XYKXBJFYSAEIAS-UHFFFAOYSA-N -1 0 335.834 2.771 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588831615 984315687 /nfs/dbraw/zinc/31/56/87/984315687.db2.gz DPSKRVMMIAMIAT-UHFFFAOYSA-N -1 0 348.428 2.984 20 30 EFEDRM C=CCNC(=O)[C@@H](C)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588838659 984340102 /nfs/dbraw/zinc/34/01/02/984340102.db2.gz HOISWDPBUYDHEJ-LLVKDONJSA-N -1 0 330.409 2.857 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001588843885 984355170 /nfs/dbraw/zinc/35/51/70/984355170.db2.gz LGLHKNAXEPPSLT-UHFFFAOYSA-N -1 0 343.339 2.846 20 30 EFEDRM C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C(=O)[O-])o3)n2)c1 ZINC001588845391 984362023 /nfs/dbraw/zinc/36/20/23/984362023.db2.gz KKXKFMBFMLDYFO-UHFFFAOYSA-N -1 0 339.307 2.611 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001588856307 984398936 /nfs/dbraw/zinc/39/89/36/984398936.db2.gz GQMOJAJMXBLTMX-JTQLQIEISA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001588861352 984415099 /nfs/dbraw/zinc/41/50/99/984415099.db2.gz FZPGAHYTNTVCGT-QGZVFWFLSA-N -1 0 341.363 2.865 20 30 EFEDRM CCOC(=O)C1(NCc2cccc(C(=O)[O-])c2C#N)CCCCC1 ZINC001596559809 984433446 /nfs/dbraw/zinc/43/34/46/984433446.db2.gz MYTWSYLOJHRPIV-UHFFFAOYSA-N -1 0 330.384 2.612 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001588873014 984444254 /nfs/dbraw/zinc/44/42/54/984444254.db2.gz ZXBAZLUUOCPMIQ-UHFFFAOYSA-N -1 0 340.335 2.527 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001588873664 984444914 /nfs/dbraw/zinc/44/49/14/984444914.db2.gz FUSAHVZOYVIEJL-INIZCTEOSA-N -1 0 329.396 2.507 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001588874186 984447911 /nfs/dbraw/zinc/44/79/11/984447911.db2.gz ZOPRWDVFIJTCPI-UHFFFAOYSA-N -1 0 328.368 2.825 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1 ZINC001588874150 984448023 /nfs/dbraw/zinc/44/80/23/984448023.db2.gz YPTQTUZADCHAPJ-ZIAGYGMSSA-N -1 0 331.412 2.894 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC001588875148 984451585 /nfs/dbraw/zinc/45/15/85/984451585.db2.gz YFAWKIVXCQDXCF-UHFFFAOYSA-N -1 0 345.351 2.790 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588877470 984453184 /nfs/dbraw/zinc/45/31/84/984453184.db2.gz RIBZCDJUWHXZJP-FPCVCCKLSA-N -1 0 344.411 2.550 20 30 EFEDRM C=CCSCCNC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588879710 984458343 /nfs/dbraw/zinc/45/83/43/984458343.db2.gz KGZSBPFSXIZTTK-JTQLQIEISA-N -1 0 342.392 2.718 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC[C@@H]1OC ZINC001588881636 984461046 /nfs/dbraw/zinc/46/10/46/984461046.db2.gz DGYVBUVDWUBWSG-KBPBESRZSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1snnc1CC ZINC001588885458 984467605 /nfs/dbraw/zinc/46/76/05/984467605.db2.gz RWXXDSGTWFYJHE-UHFFFAOYSA-N -1 0 348.380 2.755 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC001588885520 984468302 /nfs/dbraw/zinc/46/83/02/984468302.db2.gz OKMQJEHXMLEIME-CABCVRRESA-N -1 0 347.411 2.562 20 30 EFEDRM C=CCc1ccc(OCC(=O)OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588886976 984474807 /nfs/dbraw/zinc/47/48/07/984474807.db2.gz VTARNKNPCNDNQW-UHFFFAOYSA-N -1 0 346.335 2.837 20 30 EFEDRM C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588889340 984478975 /nfs/dbraw/zinc/47/89/75/984478975.db2.gz QNUJZAQQWBVAMX-CQSZACIVSA-N -1 0 337.383 2.523 20 30 EFEDRM C=CCn1c(-c2ccco2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588889754 984481195 /nfs/dbraw/zinc/48/11/95/984481195.db2.gz CQSMJBFOXAXEGG-UHFFFAOYSA-N -1 0 342.355 2.960 20 30 EFEDRM C=CCn1c(-c2cccn2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588890351 984486012 /nfs/dbraw/zinc/48/60/12/984486012.db2.gz ZIYQFENDWRGCQW-UHFFFAOYSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCn1c([C@H](CC)OCC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588895561 984494342 /nfs/dbraw/zinc/49/43/42/984494342.db2.gz INEWJOPFXRGHKV-SUMWQHHRSA-N -1 0 336.436 2.643 20 30 EFEDRM C=CCn1c([C@@H]2C[C@@H]2C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896477 984502083 /nfs/dbraw/zinc/50/20/83/984502083.db2.gz KBLYYPRTEGBMGY-GXFFZTMASA-N -1 0 330.388 2.824 20 30 EFEDRM C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588896744 984504320 /nfs/dbraw/zinc/50/43/20/984504320.db2.gz LFCSBEMMPZHMCF-GJZGRUSLSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896745 984504509 /nfs/dbraw/zinc/50/45/09/984504509.db2.gz LFCSBEMMPZHMCF-HUUCEWRRSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588897500 984511114 /nfs/dbraw/zinc/51/11/14/984511114.db2.gz KPNXNNITIXULCX-OAHLLOKOSA-N -1 0 332.448 2.888 20 30 EFEDRM C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588897733 984513009 /nfs/dbraw/zinc/51/30/09/984513009.db2.gz NMVRRDXWBLTINB-CQSZACIVSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588898034 984515037 /nfs/dbraw/zinc/51/50/37/984515037.db2.gz YEINBPIMSDYGAA-JTQLQIEISA-N -1 0 348.428 2.779 20 30 EFEDRM C=CCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588901159 984522931 /nfs/dbraw/zinc/52/29/31/984522931.db2.gz QVLODRCYWQYZJP-LJQANCHMSA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCn1c(N2CC[C@H](C(=O)[O-])[C@H](C)C2)nnc1C(C#N)(CC)CC ZINC001588904792 984532225 /nfs/dbraw/zinc/53/22/25/984532225.db2.gz CMHGFXJJDUHGTD-KGLIPLIRSA-N -1 0 345.447 2.592 20 30 EFEDRM C=CCn1c(SCC(=O)c2ccc(C(=O)[O-])o2)nnc1C1CC1 ZINC001588907649 984539772 /nfs/dbraw/zinc/53/97/72/984539772.db2.gz RTGDLHOHMRTPPW-UHFFFAOYSA-N -1 0 333.369 2.608 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)cc2n1 ZINC001588909236 984542870 /nfs/dbraw/zinc/54/28/70/984542870.db2.gz OIHYWIRLYFYLAJ-IAISJRAMSA-N -1 0 340.383 2.597 20 30 EFEDRM C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588910161 984547860 /nfs/dbraw/zinc/54/78/60/984547860.db2.gz NLDIWNJYJCPUGO-KKUMJFAQSA-N -1 0 348.447 2.785 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588913470 984555578 /nfs/dbraw/zinc/55/55/78/984555578.db2.gz DGZRYNSEFDTXMO-HIFRSBDPSA-N -1 0 329.356 2.721 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588914497 984558954 /nfs/dbraw/zinc/55/89/54/984558954.db2.gz YSTFUJHBCUYQNF-WQVCFCJDSA-N -1 0 332.400 2.805 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001588918123 984569784 /nfs/dbraw/zinc/56/97/84/984569784.db2.gz ZHKYFRADMBCSLP-BONVTDFDSA-N -1 0 329.356 2.579 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588920165 984576462 /nfs/dbraw/zinc/57/64/62/984576462.db2.gz UKMKVYHFESATSG-OCCSQVGLSA-N -1 0 334.372 2.637 20 30 EFEDRM CC#CCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588927091 984596623 /nfs/dbraw/zinc/59/66/23/984596623.db2.gz MQXPTRRLUISEOT-UHFFFAOYSA-N -1 0 326.352 2.830 20 30 EFEDRM CC#CCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588931519 984603400 /nfs/dbraw/zinc/60/34/00/984603400.db2.gz YJFQMMIGSQYAOZ-UHFFFAOYSA-N -1 0 344.289 2.813 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588933705 984613139 /nfs/dbraw/zinc/61/31/39/984613139.db2.gz WFTFUTSFQIECGI-ZHACJKMWSA-N -1 0 340.301 2.936 20 30 EFEDRM CCOC(=O)NC1CCC(N=Nc2cccc(F)c2C(=O)[O-])CC1 ZINC001596657559 984700335 /nfs/dbraw/zinc/70/03/35/984700335.db2.gz IXTFNIIUWMUVBF-UHFFFAOYSA-N -1 0 337.351 2.981 20 30 EFEDRM CCOC(=O)c1[nH]c(C)c(C=NNc2cccc(C(=O)[O-])c2)c1C ZINC001596691020 984800112 /nfs/dbraw/zinc/80/01/12/984800112.db2.gz DSOJZINQBRQTIA-UHFFFAOYSA-N -1 0 329.356 2.952 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCC2(C(=O)[O-])CCCC2)n1 ZINC001596713365 984933619 /nfs/dbraw/zinc/93/36/19/984933619.db2.gz IGASRLQQKNKDBJ-UHFFFAOYSA-N -1 0 334.397 2.867 20 30 EFEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC001589016423 984994653 /nfs/dbraw/zinc/99/46/53/984994653.db2.gz MLFAIDUXKZCJJD-UHFFFAOYSA-N -1 0 326.352 2.921 20 30 EFEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(-n2cnnn2)cc1 ZINC001589016525 984995717 /nfs/dbraw/zinc/99/57/17/984995717.db2.gz VFYHICNZVPIUJV-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC001589016846 984998621 /nfs/dbraw/zinc/99/86/21/984998621.db2.gz MLMIFLBBZXJTMF-PSASIEDQSA-N -1 0 340.474 2.608 20 30 EFEDRM Cc1c2cc(C(C)N=Nc3cnccn3)cnc2sc1C(=O)[O-] ZINC001589017519 985004788 /nfs/dbraw/zinc/00/47/88/985004788.db2.gz UCNFUJIMWFTOFG-UHFFFAOYSA-N -1 0 327.369 2.929 20 30 EFEDRM CC(=NOCCc1c(C)noc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589020917 985008305 /nfs/dbraw/zinc/00/83/05/985008305.db2.gz HHVWHSIQDYNWOQ-UHFFFAOYSA-N -1 0 332.356 2.738 20 30 EFEDRM CC(=NOCc1nc(CC(C)C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021131 985010525 /nfs/dbraw/zinc/01/05/25/985010525.db2.gz LFVVWMYWMGNYGR-UHFFFAOYSA-N -1 0 347.371 2.672 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cc(C)cc(C)c1 ZINC001589024162 985030332 /nfs/dbraw/zinc/03/03/32/985030332.db2.gz DSCNLYJOAGWNIM-MRXNPFEDSA-N -1 0 342.395 2.707 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cccc(C2CCCC2)c1 ZINC001589028013 985049865 /nfs/dbraw/zinc/04/98/65/985049865.db2.gz ZBWMQNOVPXVHFB-OAHLLOKOSA-N -1 0 344.436 2.791 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599916965 985071578 /nfs/dbraw/zinc/07/15/78/985071578.db2.gz CVWGYQLWJLQRLZ-JOQOYGCGSA-N -1 0 329.400 2.784 20 30 EFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2cc(C)c(C(=O)[O-])o2)C1 ZINC001589056178 985163222 /nfs/dbraw/zinc/16/32/22/985163222.db2.gz KMVIPBFNOCSMMF-RIYZIHGNSA-N -1 0 339.347 2.915 20 30 EFEDRM CC(=O)N1CCc2c1cccc2NCc1cccc(C(=O)[O-])c1C#N ZINC001589087767 985273471 /nfs/dbraw/zinc/27/34/71/985273471.db2.gz OTQMXERSZRQLIV-UHFFFAOYSA-N -1 0 335.363 2.778 20 30 EFEDRM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001599937096 985409213 /nfs/dbraw/zinc/40/92/13/985409213.db2.gz OPGRXBCWPQNMMY-NSHDSACASA-N -1 0 342.376 2.522 20 30 EFEDRM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC001599937205 985410242 /nfs/dbraw/zinc/41/02/42/985410242.db2.gz LQVAFCBVEDUJBC-ORAYPTAESA-N -1 0 334.375 2.779 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001599942333 985469744 /nfs/dbraw/zinc/46/97/44/985469744.db2.gz FVCZPEONIGEAQI-BBRMVZONSA-N -1 0 329.400 2.690 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001599942400 985470744 /nfs/dbraw/zinc/47/07/44/985470744.db2.gz IJNYKLATPWJZHT-UHFFFAOYSA-N -1 0 333.731 2.564 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)Sc2cc(C#N)ccn2)c(C)c1C(=O)[O-] ZINC001599948889 985575142 /nfs/dbraw/zinc/57/51/42/985575142.db2.gz TUOVZVCXXOFFTA-JTQLQIEISA-N -1 0 329.381 2.960 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)OCC(C)(C)CCC#N)c(C(=O)[O-])c1C ZINC001589248518 985857633 /nfs/dbraw/zinc/85/76/33/985857633.db2.gz XOMSKQXXJCLIBS-UHFFFAOYSA-N -1 0 334.372 2.640 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001589274035 985979416 /nfs/dbraw/zinc/97/94/16/985979416.db2.gz WZARGXKBQBBJBJ-HXUWFJFHSA-N -1 0 334.375 2.994 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001589273998 985979684 /nfs/dbraw/zinc/97/96/84/985979684.db2.gz VCYDNOHLMCGYKD-AWEZNQCLSA-N -1 0 326.274 2.604 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001599973184 986043337 /nfs/dbraw/zinc/04/33/37/986043337.db2.gz LMDITQBQRUSRAP-UHFFFAOYSA-N -1 0 329.381 2.938 20 30 EFEDRM CC(=O)c1cccc(C#N)c1OCc1cn2cccc(C(=O)[O-])c2n1 ZINC001589304726 986066943 /nfs/dbraw/zinc/06/69/43/986066943.db2.gz BMBXLKYYDJHCPT-UHFFFAOYSA-N -1 0 335.319 2.686 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccoc1CC(=O)[O-] ZINC001589323561 986146702 /nfs/dbraw/zinc/14/67/02/986146702.db2.gz FPVUAZBBDPZFQR-GOSISDBHSA-N -1 0 326.352 2.552 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001599982846 986187169 /nfs/dbraw/zinc/18/71/69/986187169.db2.gz GQNSKMJJPDJRRD-UHFFFAOYSA-N -1 0 340.364 2.765 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[C@@H](C(F)(F)F)O1 ZINC001594542905 986191200 /nfs/dbraw/zinc/19/12/00/986191200.db2.gz VOJIXULNSBMHLN-HZMBPMFUSA-N -1 0 342.317 2.798 20 30 EFEDRM Cc1c(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cnn1CCC#N ZINC001599983416 986196498 /nfs/dbraw/zinc/19/64/98/986196498.db2.gz PWBJSWWTGPWKLH-UHFFFAOYSA-N -1 0 337.339 2.537 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNc2nc3cc(F)c(F)cc3[nH]2)n1C ZINC001599984552 986211371 /nfs/dbraw/zinc/21/13/71/986211371.db2.gz QAIFKZJUFREYTB-UHFFFAOYSA-N -1 0 333.298 2.632 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589336060 986217446 /nfs/dbraw/zinc/21/74/46/986217446.db2.gz WNZWNXRYTTXPPN-VBHSOAQHSA-N -1 0 343.383 2.696 20 30 EFEDRM C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c2ccccc21 ZINC001594555434 986286486 /nfs/dbraw/zinc/28/64/86/986286486.db2.gz WLGCBMQQTOFWAX-NSHDSACASA-N -1 0 342.376 2.569 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC001597015389 986365426 /nfs/dbraw/zinc/36/54/26/986365426.db2.gz PAPARRKPINKFLP-NSHDSACASA-N -1 0 331.372 2.939 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001597055758 986534895 /nfs/dbraw/zinc/53/48/95/986534895.db2.gz HSPPWXQSYLLXEC-ZDUSSCGKSA-N -1 0 331.372 2.579 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001597106761 986750436 /nfs/dbraw/zinc/75/04/36/986750436.db2.gz UNBIUNMOROIHLT-UHFFFAOYSA-N -1 0 345.380 2.800 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1 ZINC001589461207 986910147 /nfs/dbraw/zinc/91/01/47/986910147.db2.gz BLBXMKRWBFCNFB-YGRLFVJLSA-N -1 0 343.770 2.798 20 30 EFEDRM C/C=C\C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001594685223 987053251 /nfs/dbraw/zinc/05/32/51/987053251.db2.gz ATUUFUJWNKQGRW-ZRMMWKCHSA-N -1 0 348.424 2.623 20 30 EFEDRM CC[C@@H](C#N)N(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594725102 987226703 /nfs/dbraw/zinc/22/67/03/987226703.db2.gz LEGHINUGZKMMAD-VIFPVBQESA-N -1 0 338.410 2.522 20 30 EFEDRM CC(C)(C#N)CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001589553719 987293108 /nfs/dbraw/zinc/29/31/08/987293108.db2.gz IDMHEFRXLTUZOP-UHFFFAOYSA-N -1 0 326.146 2.993 20 30 EFEDRM CC(C)(C#N)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001589553711 987293513 /nfs/dbraw/zinc/29/35/13/987293513.db2.gz HMSZPVZYOFQDPD-UHFFFAOYSA-N -1 0 326.299 2.907 20 30 EFEDRM CC(C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(C#N)cc1 ZINC001589575128 987352666 /nfs/dbraw/zinc/35/26/66/987352666.db2.gz ZPBWCELFUBRHLJ-KRWDZBQOSA-N -1 0 336.391 2.648 20 30 EFEDRM CC(C)(C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001589582676 987364200 /nfs/dbraw/zinc/36/42/00/987364200.db2.gz JFOFWPZHTOXNMN-UHFFFAOYSA-N -1 0 338.363 2.938 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(C)c1C(=O)[O-] ZINC001597366308 987536534 /nfs/dbraw/zinc/53/65/34/987536534.db2.gz FJFSMKCCDHOQIL-OAHLLOKOSA-N -1 0 337.379 2.873 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)c1C(=O)[O-] ZINC001597366307 987537001 /nfs/dbraw/zinc/53/70/01/987537001.db2.gz FJFSMKCCDHOQIL-HNNXBMFYSA-N -1 0 337.379 2.873 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)C[C@H](CC#N)c2ccccc2)cn1 ZINC001589663833 987641615 /nfs/dbraw/zinc/64/16/15/987641615.db2.gz MYTZEDBCRNOOPF-AWEZNQCLSA-N -1 0 340.383 2.729 20 30 EFEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(F)cc1OCC#N ZINC001589702493 987799797 /nfs/dbraw/zinc/79/97/97/987799797.db2.gz JAMFBHQAJUGDFP-ZDUSSCGKSA-N -1 0 337.351 2.739 20 30 EFEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001589703119 987804962 /nfs/dbraw/zinc/80/49/62/987804962.db2.gz VBVNLAVNCWMZLO-GFCCVEGCSA-N -1 0 325.315 2.847 20 30 EFEDRM CSCC[C@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001599798710 988139530 /nfs/dbraw/zinc/13/95/30/988139530.db2.gz UTUZJRYVAIOWGZ-AWEZNQCLSA-N -1 0 332.381 2.528 20 30 EFEDRM CCc1ccc([C@@H]2COCCN2Cc2cccc(C(=O)[O-])c2C#N)o1 ZINC001597520385 988150933 /nfs/dbraw/zinc/15/09/33/988150933.db2.gz VGGVROGQOGCNGC-KRWDZBQOSA-N -1 0 340.379 2.985 20 30 EFEDRM CSCc1cnc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)s1 ZINC001599804161 988226740 /nfs/dbraw/zinc/22/67/40/988226740.db2.gz FEHBVTBVDRDQKM-XBXARRHUSA-N -1 0 335.410 2.571 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001597542682 988233227 /nfs/dbraw/zinc/23/32/27/988233227.db2.gz GVIJWGWTQCNVBM-PMPSAXMXSA-N -1 0 342.395 2.787 20 30 EFEDRM CCc1ccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001597545512 988247373 /nfs/dbraw/zinc/24/73/73/988247373.db2.gz XWEGUPUCVZARLB-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM CCc1ccc(NCC(=O)NCc2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC001597551217 988272683 /nfs/dbraw/zinc/27/26/83/988272683.db2.gz CVOUDUWWQXFHHY-UHFFFAOYSA-N -1 0 337.379 2.547 20 30 EFEDRM CC(C)(C)NC(=S)NN=Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001589832315 988307739 /nfs/dbraw/zinc/30/77/39/988307739.db2.gz XRGJQXJBVPEGME-UHFFFAOYSA-N -1 0 330.413 2.530 20 30 EFEDRM CCc1ccc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597562863 988311994 /nfs/dbraw/zinc/31/19/94/988311994.db2.gz XKFALNNFOVXUCK-CYBMUJFWSA-N -1 0 329.400 2.710 20 30 EFEDRM CCc1ccc2c(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)cc(=O)oc2c1 ZINC001597563271 988313343 /nfs/dbraw/zinc/31/33/43/988313343.db2.gz FRNAFTPVZGBPGV-UHFFFAOYSA-N -1 0 340.379 2.546 20 30 EFEDRM CCc1nc(C#N)cc(N[C@H](C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001597647140 988673848 /nfs/dbraw/zinc/67/38/48/988673848.db2.gz SYYHFRLQMJFUPZ-LLVKDONJSA-N -1 0 326.356 2.547 20 30 EFEDRM C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@H]1CC(=O)[O-] ZINC001599851586 989021091 /nfs/dbraw/zinc/02/10/91/989021091.db2.gz BPASPDXVUDBHLR-DGCLKSJQSA-N -1 0 332.375 2.544 20 30 EFEDRM CCc1noc([C@@H](C)ON=C(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001597741306 989097055 /nfs/dbraw/zinc/09/70/55/989097055.db2.gz YCWJLOPABZMDLG-LLVKDONJSA-N -1 0 333.344 2.597 20 30 EFEDRM CCc1oc(C=NNc2ccc(CC(=O)OC)cc2)cc1C(=O)[O-] ZINC001597793185 989341956 /nfs/dbraw/zinc/34/19/56/989341956.db2.gz UMCSLXJPSDAWKO-UHFFFAOYSA-N -1 0 330.340 2.702 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CCC(CC(=O)[O-])CC1 ZINC001597859805 989631559 /nfs/dbraw/zinc/63/15/59/989631559.db2.gz DYQZSVNJWHLVSW-UHFFFAOYSA-N -1 0 342.399 2.849 20 30 EFEDRM CCn1nc(C2CC2)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597946046 989930958 /nfs/dbraw/zinc/93/09/58/989930958.db2.gz LYZUSJUOUSCKRN-MRXNPFEDSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(C2CC2)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597946250 989934436 /nfs/dbraw/zinc/93/44/36/989934436.db2.gz XEUJWRWMHJYQNW-MRXNPFEDSA-N -1 0 339.351 2.635 20 30 EFEDRM CC(C)(C)c1cc2n(n1)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590472073 990042600 /nfs/dbraw/zinc/04/26/00/990042600.db2.gz HRVYCAYYCFIIAL-KRWDZBQOSA-N -1 0 338.411 2.694 20 30 EFEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001590481916 990077408 /nfs/dbraw/zinc/07/74/08/990077408.db2.gz VPRWXHQFLRQQLO-YCMKEVRSSA-N -1 0 326.396 2.920 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)C(=O)CCSCC(=O)[O-])s1 ZINC001590515391 990125335 /nfs/dbraw/zinc/12/53/35/990125335.db2.gz IYLHLMPHTQGFOC-VIFPVBQESA-N -1 0 326.443 2.825 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)NCc2nc(C(=O)[O-])co2)c1C#N ZINC001590536974 990149179 /nfs/dbraw/zinc/14/91/79/990149179.db2.gz KACWCXVBVSLBJU-UHFFFAOYSA-N -1 0 348.384 2.925 20 30 EFEDRM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1nc(CC(=O)[O-])cs1 ZINC001598007687 990167480 /nfs/dbraw/zinc/16/74/80/990167480.db2.gz MGESIDYUDYUZRX-CYBMUJFWSA-N -1 0 343.408 2.821 20 30 EFEDRM CC(C)(C)c1nc(NC(=O)c2cccc(C#N)n2)sc1C(=O)[O-] ZINC001590545078 990178629 /nfs/dbraw/zinc/17/86/29/990178629.db2.gz PSJTWYVVRJSFQJ-UHFFFAOYSA-N -1 0 330.369 2.658 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001590615029 990285899 /nfs/dbraw/zinc/28/58/99/990285899.db2.gz GNXAJNNXRMEOEV-UHFFFAOYSA-N -1 0 346.408 2.756 20 30 EFEDRM CC(C)(CCNC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001590675623 990385399 /nfs/dbraw/zinc/38/53/99/990385399.db2.gz GCYUOAZYZQFZTQ-UHFFFAOYSA-N -1 0 332.400 2.724 20 30 EFEDRM CC(C)(CNC(=O)Nc1cc(C#N)ccc1OC(F)F)CC(=O)[O-] ZINC001590726834 990522401 /nfs/dbraw/zinc/52/24/01/990522401.db2.gz FOKLBSVOSYCAKX-UHFFFAOYSA-N -1 0 341.314 2.782 20 30 EFEDRM CC(C)(Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1)C(=O)[O-] ZINC001590826707 990669107 /nfs/dbraw/zinc/66/91/07/990669107.db2.gz FQCJCYITBYSFTE-UHFFFAOYSA-N -1 0 338.289 2.811 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590905444 990869997 /nfs/dbraw/zinc/86/99/97/990869997.db2.gz YPHJFHOATLHMQP-XOUADPBQSA-N -1 0 343.379 2.758 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC001598288544 991196923 /nfs/dbraw/zinc/19/69/23/991196923.db2.gz WREZOKHTDZAFBN-OAHLLOKOSA-N -1 0 349.390 2.843 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001598288578 991197127 /nfs/dbraw/zinc/19/71/27/991197127.db2.gz XYIPALXZYZVWDP-UHFFFAOYSA-N -1 0 345.305 2.853 20 30 EFEDRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590994292 991219153 /nfs/dbraw/zinc/21/91/53/991219153.db2.gz ZWDFTBFRUXEZGV-MRXNPFEDSA-N -1 0 328.412 2.718 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1OCC#N ZINC001598300759 991248301 /nfs/dbraw/zinc/24/83/01/991248301.db2.gz ANMNBHAUPRYOIX-UHFFFAOYSA-N -1 0 339.351 2.605 20 30 EFEDRM CN(C)c1ccc(OC(=O)c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC001598328365 991349232 /nfs/dbraw/zinc/34/92/32/991349232.db2.gz JRYRXVYZGFSMJN-UHFFFAOYSA-N -1 0 328.299 2.681 20 30 EFEDRM CN(C)c1ccc(OC(=O)c2c(F)cc(C#N)cc2F)cc1C(=O)[O-] ZINC001598329237 991359589 /nfs/dbraw/zinc/35/95/89/991359589.db2.gz LWKJECLGFOXIJT-UHFFFAOYSA-N -1 0 346.289 2.820 20 30 EFEDRM CN(C)c1ccc(OC(=O)[C@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC001598329471 991362288 /nfs/dbraw/zinc/36/22/88/991362288.db2.gz RSEIUEBAPJVMGO-GOSISDBHSA-N -1 0 328.368 2.830 20 30 EFEDRM CN(C1(C#N)CCC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001598365122 991513152 /nfs/dbraw/zinc/51/31/52/991513152.db2.gz YPDCNHXLHSONLR-UHFFFAOYSA-N -1 0 344.392 2.605 20 30 EFEDRM CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC001598376540 991566870 /nfs/dbraw/zinc/56/68/70/991566870.db2.gz UCLNKKXMCDYOJR-UHFFFAOYSA-N -1 0 343.427 2.501 20 30 EFEDRM CC(C)C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001591190949 991998071 /nfs/dbraw/zinc/99/80/71/991998071.db2.gz GSMCCALIPVSRDG-JTQLQIEISA-N -1 0 330.262 2.628 20 30 EFEDRM CC(C)CN(CC(=O)[O-])c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001591309834 992269658 /nfs/dbraw/zinc/26/96/58/992269658.db2.gz KVLMPGPGOCSZOA-UHFFFAOYSA-N -1 0 328.328 2.562 20 30 EFEDRM CC(C)CN(Cc1cnn(C)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001591349939 992337816 /nfs/dbraw/zinc/33/78/16/992337816.db2.gz WUMNQFFEVXZMMS-UHFFFAOYSA-N -1 0 326.400 2.648 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598500370 992427460 /nfs/dbraw/zinc/42/74/60/992427460.db2.gz VEQIEIOPGSICGJ-RXVVDRJESA-N -1 0 348.402 2.818 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598500369 992427668 /nfs/dbraw/zinc/42/76/68/992427668.db2.gz VEQIEIOPGSICGJ-NQIIRXRSSA-N -1 0 348.402 2.818 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001598511473 992571340 /nfs/dbraw/zinc/57/13/40/992571340.db2.gz PVDDKOWYKDATOW-GOSISDBHSA-N -1 0 349.390 2.565 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598519894 992666657 /nfs/dbraw/zinc/66/66/57/992666657.db2.gz NYZXMMDMCHKMIY-YLJYHZDGSA-N -1 0 334.375 2.775 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001591596393 992821637 /nfs/dbraw/zinc/82/16/37/992821637.db2.gz ADVRZWSCEWIFEK-QGZVFWFLSA-N -1 0 343.427 2.979 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591596840 992825171 /nfs/dbraw/zinc/82/51/71/992825171.db2.gz QGNFFPHKYAGABZ-GJYPPUQNSA-N -1 0 341.411 2.732 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001591597051 992826796 /nfs/dbraw/zinc/82/67/96/992826796.db2.gz WMRCBGFKQXROOO-DLBZAZTESA-N -1 0 344.411 2.708 20 30 EFEDRM C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001593072975 993632122 /nfs/dbraw/zinc/63/21/22/993632122.db2.gz WHJAQPLUAZPWHL-QITLCBANSA-N -1 0 327.384 2.516 20 30 EFEDRM COc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1C#N ZINC001599592177 993699192 /nfs/dbraw/zinc/69/91/92/993699192.db2.gz TVTYBBGDANNMHV-UHFFFAOYSA-N -1 0 343.339 2.830 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001593102146 993741380 /nfs/dbraw/zinc/74/13/80/993741380.db2.gz AIEBLDYLJJHEKU-ZDUSSCGKSA-N -1 0 337.379 2.746 20 30 EFEDRM COc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1C#N ZINC001599595393 993742704 /nfs/dbraw/zinc/74/27/04/993742704.db2.gz HGMSURFOTQHQSR-HNNXBMFYSA-N -1 0 339.351 2.557 20 30 EFEDRM COc1ccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1C#N ZINC001599596136 993751398 /nfs/dbraw/zinc/75/13/98/993751398.db2.gz ZOMFPHJIJQYNCS-CQSZACIVSA-N -1 0 345.399 2.969 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599596741 993757932 /nfs/dbraw/zinc/75/79/32/993757932.db2.gz SWJXEMWUGZDNDD-UHFFFAOYSA-N -1 0 333.369 2.615 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593117596 993816488 /nfs/dbraw/zinc/81/64/88/993816488.db2.gz PMWSFQKGLDIHJS-SECBINFHSA-N -1 0 330.369 2.790 20 30 EFEDRM C[C@H](NC(=O)Nc1sccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593126195 993868749 /nfs/dbraw/zinc/86/87/49/993868749.db2.gz ZAOSVDSJAPSTAE-JTQLQIEISA-N -1 0 345.380 2.966 20 30 EFEDRM C[C@@H](NC(=O)c1ccccc1SCC#N)c1ncc(C(=O)[O-])s1 ZINC001593178983 994060298 /nfs/dbraw/zinc/06/02/98/994060298.db2.gz LEIZDBPVKXKOMB-SECBINFHSA-N -1 0 347.421 2.948 20 30 EFEDRM COc1ccc2c(c1)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CCO2 ZINC001599631215 994221334 /nfs/dbraw/zinc/22/13/34/994221334.db2.gz ZLRBBZSDOXSDLL-SFHVURJKSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1cccc(C(=O)/C(=C/c2ccc(C(=O)[O-])[nH]2)c2ncc[nH]2)c1 ZINC001599640658 994354051 /nfs/dbraw/zinc/35/40/51/994354051.db2.gz MXJBFOWDBCJIEM-UVTDQMKNSA-N -1 0 337.335 2.868 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001599644204 994402101 /nfs/dbraw/zinc/40/21/01/994402101.db2.gz YXAHMVNMMADHES-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2sccc2CC#N)c1 ZINC001599646596 994433460 /nfs/dbraw/zinc/43/34/60/994433460.db2.gz AXDHAYIYRVLXJW-AWEZNQCLSA-N -1 0 344.392 2.721 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(F)cc2C#N)c1 ZINC001599650683 994494465 /nfs/dbraw/zinc/49/44/65/994494465.db2.gz NYKHAWCHNPZJBA-KRWDZBQOSA-N -1 0 328.343 2.964 20 30 EFEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc2c(c1)CC(=O)N2C ZINC001593303249 994732745 /nfs/dbraw/zinc/73/27/45/994732745.db2.gz AEUCZMPKWUDBMG-GFCCVEGCSA-N -1 0 349.390 2.626 20 30 EFEDRM C[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1[O-] ZINC001593304634 994751625 /nfs/dbraw/zinc/75/16/25/994751625.db2.gz PQQBJCYHBFZDBQ-LBPRGKRZSA-N -1 0 326.352 2.578 20 30 EFEDRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC001593312295 994799043 /nfs/dbraw/zinc/79/90/43/994799043.db2.gz SFZOALFMLHFSNE-LLVKDONJSA-N -1 0 348.362 2.756 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001598677755 994875480 /nfs/dbraw/zinc/87/54/80/994875480.db2.gz BUPHQWVPRMRBOP-UHFFFAOYSA-N -1 0 348.362 2.961 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598677789 994875682 /nfs/dbraw/zinc/87/56/82/994875682.db2.gz FHHPXWGTKGKEKS-IFXJQAMLSA-N -1 0 335.363 2.797 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598678010 994879063 /nfs/dbraw/zinc/87/90/63/994879063.db2.gz LPAJJPRIZMKYMW-UHFFFAOYSA-N -1 0 348.362 2.892 20 30 EFEDRM C[C@@](O)(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC001593386341 995102378 /nfs/dbraw/zinc/10/23/78/995102378.db2.gz IDRCBPHXCRQSBV-PKOBYXMFSA-N -1 0 339.347 2.525 20 30 EFEDRM COC(=O)[C@@H](c1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598715363 995399095 /nfs/dbraw/zinc/39/90/95/995399095.db2.gz FCSFFJOKYOLSNM-QGZVFWFLSA-N -1 0 338.363 2.603 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001593612196 995813664 /nfs/dbraw/zinc/81/36/64/995813664.db2.gz MSYBAHOACMKXTI-CJNGLKHVSA-N -1 0 344.411 2.723 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001593641267 995950432 /nfs/dbraw/zinc/95/04/32/995950432.db2.gz BZMUJSCKDTUUDF-WDEREUQCSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001593641433 995951828 /nfs/dbraw/zinc/95/18/28/995951828.db2.gz KPLZBWAEVHQKHE-BLLLJJGKSA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(C#N)ccn1)C(=O)[O-] ZINC001593672306 996075384 /nfs/dbraw/zinc/07/53/84/996075384.db2.gz PDCJFGXSTHIGGC-SNVBAGLBSA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(C#N)n1)C(=O)[O-] ZINC001593672471 996076628 /nfs/dbraw/zinc/07/66/28/996076628.db2.gz RLINUWJIBSWUFW-SNVBAGLBSA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@H](Sc1nc(C(=O)[O-])cs1)C(=O)Nc1cccc(C#N)c1 ZINC001593678789 996095373 /nfs/dbraw/zinc/09/53/73/996095373.db2.gz ABYKGKOQGSQBSZ-QMMMGPOBSA-N -1 0 333.394 2.832 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593698802 996167202 /nfs/dbraw/zinc/16/72/02/996167202.db2.gz NLSOMYABCHKCQF-MLGOLLRUSA-N -1 0 329.400 2.762 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001593699246 996169495 /nfs/dbraw/zinc/16/94/95/996169495.db2.gz RLHNOBQUBCRWIL-CYBMUJFWSA-N -1 0 337.379 2.888 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN(c2ccsc2C#N)CC1 ZINC001593736481 996326083 /nfs/dbraw/zinc/32/60/83/996326083.db2.gz AMIYUSOVZVKMET-JTQLQIEISA-N -1 0 348.453 2.658 20 30 EFEDRM CC1(C#N)CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001593743359 996367296 /nfs/dbraw/zinc/36/72/96/996367296.db2.gz OZCWMXCZIKDBHA-UHFFFAOYSA-N -1 0 333.413 2.772 20 30 EFEDRM C[C@@]1(C#N)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC001593743469 996368633 /nfs/dbraw/zinc/36/86/33/996368633.db2.gz PXRYWSFLZBWKIE-GOSISDBHSA-N -1 0 326.352 2.759 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001593762920 996435242 /nfs/dbraw/zinc/43/52/42/996435242.db2.gz WSEOOPXFCMFJAN-MRXNPFEDSA-N -1 0 339.313 2.770 20 30 EFEDRM CC1(C)C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ccccc2O1 ZINC001593847849 996615540 /nfs/dbraw/zinc/61/55/40/996615540.db2.gz XNQLAJKWWOAYDF-AWEZNQCLSA-N -1 0 342.395 2.548 20 30 EFEDRM COC(=O)Cc1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001598871597 996739986 /nfs/dbraw/zinc/73/99/86/996739986.db2.gz GGRILGMLZVOLGB-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COCc1cc(NC(=O)CCc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599283806 996939491 /nfs/dbraw/zinc/93/94/91/996939491.db2.gz YCPYOALKEWXAFQ-UHFFFAOYSA-N -1 0 338.363 2.974 20 30 EFEDRM COc1ccc(C(=O)[O-])c(OC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC001599492839 996969287 /nfs/dbraw/zinc/96/92/87/996969287.db2.gz YGKZEMINPXDKFJ-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1OCC#N ZINC001599388011 996980109 /nfs/dbraw/zinc/98/01/09/996980109.db2.gz ZWNXISWGZIYTEG-UHFFFAOYSA-N -1 0 326.308 2.548 20 30 EFEDRM CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)C[C@](C)(C(F)(F)F)O1 ZINC001593947243 997003105 /nfs/dbraw/zinc/00/31/05/997003105.db2.gz REKQQNOGCWSUNT-CQSZACIVSA-N -1 0 343.305 2.588 20 30 EFEDRM CC1(C)CO[C@@H](CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001593954264 997043004 /nfs/dbraw/zinc/04/30/04/997043004.db2.gz JMIINCYZCVEMHU-GOEBONIOSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001599501280 997126403 /nfs/dbraw/zinc/12/64/03/997126403.db2.gz LRYDNRVFRFIUQW-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM COCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCCCC1 ZINC001599194894 997196926 /nfs/dbraw/zinc/19/69/26/997196926.db2.gz GIOVSOQSNKMFDH-UHFFFAOYSA-N -1 0 331.368 2.897 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])Cc2csc(C#N)c2)cc(OC)c1 ZINC001599405877 997298648 /nfs/dbraw/zinc/29/86/48/997298648.db2.gz NRFFJEXLDPHMCV-UHFFFAOYSA-N -1 0 346.408 2.724 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])cc1 ZINC001599523146 997514968 /nfs/dbraw/zinc/51/49/68/997514968.db2.gz QTURGRGLHPZBKJ-OAHLLOKOSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2ccc(C#N)cc2)C(=O)[O-])cc1Cl ZINC001599523808 997524780 /nfs/dbraw/zinc/52/47/80/997524780.db2.gz AHKYISWEVBCTEC-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1cc(CNc2ccc3cnn(CC(=O)[O-])c3c2)ccc1C#N ZINC001599418063 997545092 /nfs/dbraw/zinc/54/50/92/997545092.db2.gz AVBPJFIJBQRZNF-UHFFFAOYSA-N -1 0 336.351 2.613 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599320094 997566623 /nfs/dbraw/zinc/56/66/23/997566623.db2.gz BJRMDXDRZYJOAO-INIZCTEOSA-N -1 0 345.326 2.659 20 30 EFEDRM CON=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599320644 997574693 /nfs/dbraw/zinc/57/46/93/997574693.db2.gz RUKCZPLNBZUANJ-INIZCTEOSA-N -1 0 326.352 2.618 20 30 EFEDRM CON=CC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599320646 997574877 /nfs/dbraw/zinc/57/48/77/997574877.db2.gz RUKCZPLNBZUANJ-MRXNPFEDSA-N -1 0 326.352 2.618 20 30 EFEDRM COCC[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(C)o1 ZINC001599218974 997632263 /nfs/dbraw/zinc/63/22/63/997632263.db2.gz VOUKNVZXOPJDKF-DOTOQJQBSA-N -1 0 328.368 2.953 20 30 EFEDRM COC(=O)c1cc(CN2CCCC(C)(C)[C@@H]2C#N)cc(C(=O)[O-])c1 ZINC001598932306 997787365 /nfs/dbraw/zinc/78/73/65/997787365.db2.gz SVCJVZPOIGQWGV-HNNXBMFYSA-N -1 0 330.384 2.686 20 30 EFEDRM COc1cc(NC(=O)N(CCC#N)Cc2ccco2)ccc1C(=O)[O-] ZINC001599433518 997800896 /nfs/dbraw/zinc/80/08/96/997800896.db2.gz AWXGKWFACVDHGP-UHFFFAOYSA-N -1 0 343.339 2.934 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@H](CC#N)C2)c(C(=O)[O-])cc1OC ZINC001599435341 997835537 /nfs/dbraw/zinc/83/55/37/997835537.db2.gz NALWZMBWJNGREZ-LLVKDONJSA-N -1 0 347.371 2.560 20 30 EFEDRM COc1c(NC(=O)NCc2cc(C#N)ccc2F)cccc1C(=O)[O-] ZINC001599339759 997902349 /nfs/dbraw/zinc/90/23/49/997902349.db2.gz WUIVAWQXJJVJMH-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599235717 997941547 /nfs/dbraw/zinc/94/15/47/997941547.db2.gz MJBUKJOEQYLIOV-UHFFFAOYSA-N -1 0 347.396 2.993 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001599235795 997942585 /nfs/dbraw/zinc/94/25/85/997942585.db2.gz RCTIPYZMCQXYLR-UHFFFAOYSA-N -1 0 337.401 2.718 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001599442096 997946629 /nfs/dbraw/zinc/94/66/29/997946629.db2.gz CIGBMXFXFAQVBI-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001599444047 997978430 /nfs/dbraw/zinc/97/84/30/997978430.db2.gz DQZIZUMJDJCCAZ-QPJJXVBHSA-N -1 0 329.308 2.841 20 30 EFEDRM COc1cc(OC)c(C=NNc2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC001599446991 998025006 /nfs/dbraw/zinc/02/50/06/998025006.db2.gz GRPIGDITJKKXFN-UHFFFAOYSA-N -1 0 348.330 2.996 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001599349062 998062069 /nfs/dbraw/zinc/06/20/69/998062069.db2.gz HUBSIQWEPXZSGK-UHFFFAOYSA-N -1 0 326.308 2.531 20 30 EFEDRM COc1ccc(CCCN(C)c2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599554282 998063542 /nfs/dbraw/zinc/06/35/42/998063542.db2.gz FLJUSNVHFNUBKK-UHFFFAOYSA-N -1 0 325.368 2.729 20 30 EFEDRM COc1cc(C(=O)/C=C\c2cc(C)c(OCC(=O)[O-])c(C)c2)on1 ZINC001599349801 998073119 /nfs/dbraw/zinc/07/31/19/998073119.db2.gz CMBKXPRLPBQWMF-PLNGDYQASA-N -1 0 331.324 2.660 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(C#N)c2Cl)NC(=O)N1C1CC1 ZINC001594098573 998083782 /nfs/dbraw/zinc/08/37/82/998083782.db2.gz UOCAMASAKOBJJC-AWEZNQCLSA-N -1 0 349.749 2.938 20 30 EFEDRM COc1cc(C#N)ccc1OCCOC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599350397 998083944 /nfs/dbraw/zinc/08/39/44/998083944.db2.gz OZNQHRKHNPGFOF-UHFFFAOYSA-N -1 0 341.319 2.501 20 30 EFEDRM COCCOCc1cc(C#N)ccc1NCc1cc(C(=O)[O-])co1 ZINC001599251483 998239269 /nfs/dbraw/zinc/23/92/69/998239269.db2.gz IIDWDPVQIAIXQG-UHFFFAOYSA-N -1 0 330.340 2.625 20 30 EFEDRM COC(=O)c1cc2ccc(Oc3ccc(C(=O)[O-])nc3C#N)cc2o1 ZINC001598957567 998271757 /nfs/dbraw/zinc/27/17/57/998271757.db2.gz JUDCSEWRCHPNGH-UHFFFAOYSA-N -1 0 338.275 2.977 20 30 EFEDRM COc1ccc(CNC(=O)NCC2(C#N)CCCCC2)cc1C(=O)[O-] ZINC001599568357 998322622 /nfs/dbraw/zinc/32/26/22/998322622.db2.gz RFVJPDMYPMLBPY-UHFFFAOYSA-N -1 0 345.399 2.667 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc(Cl)c(C#N)n1 ZINC001599368288 998369282 /nfs/dbraw/zinc/36/92/82/998369282.db2.gz QTFIMXAJQKHTOS-UHFFFAOYSA-N -1 0 331.759 2.968 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC001599369842 998392606 /nfs/dbraw/zinc/39/26/06/998392606.db2.gz DEFLJYXUQGZSNB-UHFFFAOYSA-N -1 0 343.339 2.934 20 30 EFEDRM COC[C@H](C)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599161546 998466742 /nfs/dbraw/zinc/46/67/42/998466742.db2.gz XLUTXYZVRVPRLV-AWEZNQCLSA-N -1 0 342.395 2.922 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC001599375330 998475783 /nfs/dbraw/zinc/47/57/83/998475783.db2.gz KBRCGMMYSPAFMS-LLVKDONJSA-N -1 0 339.351 2.704 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(/C=C/C(=O)[O-])o2)c1C ZINC001599274003 998584335 /nfs/dbraw/zinc/58/43/35/998584335.db2.gz HUOZPTQCCVTDOA-CDJQDVQCSA-N -1 0 344.367 2.733 20 30 EFEDRM COC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC001598984423 998687368 /nfs/dbraw/zinc/68/73/68/998687368.db2.gz OPABVQJIRMIWDV-UHFFFAOYSA-N -1 0 335.747 2.609 20 30 EFEDRM COC(=O)c1cccc(COc2cnc(Cl)cc2C(=O)[O-])c1C#N ZINC001598994698 998768869 /nfs/dbraw/zinc/76/88/69/998768869.db2.gz URALADGVSCVSAX-UHFFFAOYSA-N -1 0 346.726 2.670 20 30 EFEDRM COC(=O)c1cnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001599009823 998888227 /nfs/dbraw/zinc/88/82/27/998888227.db2.gz XVVALTQARNPUGK-LLVKDONJSA-N -1 0 334.378 2.719 20 30 EFEDRM C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C(=O)[O-])C1 ZINC001594406837 999524545 /nfs/dbraw/zinc/52/45/45/999524545.db2.gz GQXIZRAHROJPRO-XHDPSFHLSA-N -1 0 339.351 2.539 20 30 EFEDRM C=C(CC)C(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001602772451 1096366966 /nfs/dbraw/zinc/36/69/66/1096366966.db2.gz YSPWRADBSPTIRE-UHFFFAOYSA-N -1 0 326.190 2.829 20 30 EFEDRM C#CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001573464015 1087795117 /nfs/dbraw/zinc/79/51/17/1087795117.db2.gz XEDBUCTUTNFVHR-MSOLQXFVSA-N -1 0 336.391 2.919 20 30 EFEDRM COc1cc(-c2nn[nH]n2)ccc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001579886999 1090715345 /nfs/dbraw/zinc/71/53/45/1090715345.db2.gz CQGIPJZYUHQDJS-UHFFFAOYSA-N -1 0 344.312 2.509 20 30 EFEDRM CSc1ccc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1Cl ZINC001580235462 1090823235 /nfs/dbraw/zinc/82/32/35/1090823235.db2.gz PPWXHPZRPGFDOC-UHFFFAOYSA-N -1 0 344.791 2.647 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001580310976 1090858495 /nfs/dbraw/zinc/85/84/95/1090858495.db2.gz ZLZRDLKJVUBHGR-SNVBAGLBSA-N -1 0 337.314 2.795 20 30 EFEDRM C[C@@H](OC(=O)c1cc(-c2nn[nH]n2)ccc1F)c1cccc(C#N)c1 ZINC001580310813 1090858799 /nfs/dbraw/zinc/85/87/99/1090858799.db2.gz PXXWKXUXOJQTSY-SNVBAGLBSA-N -1 0 337.314 2.795 20 30 EFEDRM Cc1ccccc1[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)C ZINC001581252949 1091107089 /nfs/dbraw/zinc/10/70/89/1091107089.db2.gz FYOJNDBRHLLRPI-OAHLLOKOSA-N -1 0 334.387 2.646 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1 ZINC001649812457 1092700189 /nfs/dbraw/zinc/70/01/89/1092700189.db2.gz AVPBJYFDFVMVQJ-UHFFFAOYSA-N -1 0 327.409 2.827 20 30 EFEDRM C=C1CC(c2noc(C3(c4cc(F)cc(-c5nn[nH]n5)c4)CC3)n2)C1 ZINC001588455577 1092946310 /nfs/dbraw/zinc/94/63/10/1092946310.db2.gz AAVGNQIPIKUDPJ-UHFFFAOYSA-N -1 0 338.346 2.902 20 30 EFEDRM C=C(CC)COc1c(-c2nn[nH]n2)cnc2c(OC)cc(OC)cc21 ZINC001588444328 1092947195 /nfs/dbraw/zinc/94/71/95/1092947195.db2.gz XKKLETKZMZCPFK-UHFFFAOYSA-N -1 0 341.371 2.777 20 30 EFEDRM C=C(CNC(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001588443963 1092947306 /nfs/dbraw/zinc/94/73/06/1092947306.db2.gz BXHLXRXPQFUOGU-CQSZACIVSA-N -1 0 347.422 2.875 20 30 EFEDRM C=C(CC)COC(=O)c1cc(-c2cccc(-c3nn[nH]n3)c2)no1 ZINC001588444367 1092947749 /nfs/dbraw/zinc/94/77/49/1092947749.db2.gz YWDOGJHNHDLXLL-UHFFFAOYSA-N -1 0 325.328 2.645 20 30 EFEDRM C=C(CNC(=S)Nc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC001588443979 1092948055 /nfs/dbraw/zinc/94/80/55/1092948055.db2.gz CXXRDNPVBLILCN-UHFFFAOYSA-N -1 0 336.424 2.867 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001588456773 1092948111 /nfs/dbraw/zinc/94/81/11/1092948111.db2.gz VDEOLKPAUAYDFF-GASCZTMLSA-N -1 0 338.415 2.568 20 30 EFEDRM C=C[C@@H](C(=O)N(C)CCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588467096 1092949087 /nfs/dbraw/zinc/94/90/87/1092949087.db2.gz CCZOLABZLKDQLN-GOSISDBHSA-N -1 0 347.422 2.837 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588486876 1092949230 /nfs/dbraw/zinc/94/92/30/1092949230.db2.gz LMVBTMGAMAXBMQ-LBPRGKRZSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CC[C@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC001588541770 1092955606 /nfs/dbraw/zinc/95/56/06/1092955606.db2.gz RVIONWAQNFGSRJ-XJKSGUPXSA-N -1 0 343.431 2.741 20 30 EFEDRM C=CCC1(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CCCCC1 ZINC001588557879 1092961018 /nfs/dbraw/zinc/96/10/18/1092961018.db2.gz WCXXMHQGOQJHMY-UHFFFAOYSA-N -1 0 327.388 2.581 20 30 EFEDRM C=CCCN(C)c1cc(Br)c(-c2nn[nH]n2)cc1F ZINC001588603659 1092966267 /nfs/dbraw/zinc/96/62/67/1092966267.db2.gz UOUAKNGWZHETKB-UHFFFAOYSA-N -1 0 326.173 2.781 20 30 EFEDRM C=CCCCCCCCCNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001588594231 1092967863 /nfs/dbraw/zinc/96/78/63/1092967863.db2.gz QOXORVPHVMMFFU-UHFFFAOYSA-N -1 0 326.408 2.857 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1 ZINC001588629189 1092970388 /nfs/dbraw/zinc/97/03/88/1092970388.db2.gz ASYIAZLWYAMMAW-UHFFFAOYSA-N -1 0 329.711 2.625 20 30 EFEDRM C=CCN(CCc1ccco1)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588635750 1092973076 /nfs/dbraw/zinc/97/30/76/1092973076.db2.gz SQKRIICPZHONGJ-UHFFFAOYSA-N -1 0 336.808 2.805 20 30 EFEDRM C=CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001588653294 1092974099 /nfs/dbraw/zinc/97/40/99/1092974099.db2.gz BDLYZZMDZLJMBK-UHFFFAOYSA-N -1 0 336.355 2.968 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001588653536 1092976248 /nfs/dbraw/zinc/97/62/48/1092976248.db2.gz LBHRQROEYWZIQX-UHFFFAOYSA-N -1 0 349.398 2.790 20 30 EFEDRM CC#CCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001588747751 1092982676 /nfs/dbraw/zinc/98/26/76/1092982676.db2.gz TVZNIPYFKZNESH-UHFFFAOYSA-N -1 0 347.378 2.754 20 30 EFEDRM CC#CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001588747728 1092984022 /nfs/dbraw/zinc/98/40/22/1092984022.db2.gz SJOWZDBCHKVDKB-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM Cc1cncc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1 ZINC001588781410 1092991142 /nfs/dbraw/zinc/99/11/42/1092991142.db2.gz AUFBOSACIMPIMJ-UHFFFAOYSA-N -1 0 340.391 2.593 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C#N)cc2Cl)o1 ZINC001588781337 1092991488 /nfs/dbraw/zinc/99/14/88/1092991488.db2.gz VEGSBIMPHZHHJZ-UHFFFAOYSA-N -1 0 342.750 2.524 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(O)c2F)o1 ZINC001588781078 1092992105 /nfs/dbraw/zinc/99/21/05/1092992105.db2.gz BXBJBBMZCRINEW-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001589272858 1093061806 /nfs/dbraw/zinc/06/18/06/1093061806.db2.gz QNRYKZSKZMYUIM-UHFFFAOYSA-N -1 0 347.810 2.972 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001650296563 1093120576 /nfs/dbraw/zinc/12/05/76/1093120576.db2.gz GHWOIEOTQFGTPM-SWLSCSKDSA-N -1 0 340.431 2.952 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(F)ccc2F)o1 ZINC001589664803 1093123341 /nfs/dbraw/zinc/12/33/41/1093123341.db2.gz WTTBIZXJYIAWDI-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM CC[C@@H](C)N(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001650518646 1093357761 /nfs/dbraw/zinc/35/77/61/1093357761.db2.gz BXLDXJNLWXWWCP-GFCCVEGCSA-N -1 0 340.431 2.952 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC001125677807 1093433053 /nfs/dbraw/zinc/43/30/53/1093433053.db2.gz CVQLGIODLBGUQD-OAHLLOKOSA-N -1 0 334.335 2.666 20 30 EFEDRM CCC[C@@H]1CCCC[C@H]1CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590569290 1093493526 /nfs/dbraw/zinc/49/35/26/1093493526.db2.gz KLOYVBSNFOFYOE-NEPJUHHUSA-N -1 0 326.408 2.547 20 30 EFEDRM CCc1ccc2ccccc2c1Cn1cnc(-c2nnn[n-]2)c1C#N ZINC001590893117 1093621743 /nfs/dbraw/zinc/62/17/43/1093621743.db2.gz RQLYPZXQXURDBH-UHFFFAOYSA-N -1 0 329.367 2.699 20 30 EFEDRM COC1CCC(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CC1 ZINC001591347329 1093699992 /nfs/dbraw/zinc/69/99/92/1093699992.db2.gz DOFGYGZHZWKBDB-UHFFFAOYSA-N -1 0 333.396 2.581 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OCc1cccc(-c2nn[nH]n2)c1 ZINC001591507358 1093744993 /nfs/dbraw/zinc/74/49/93/1093744993.db2.gz YPNBRRWZSHEIAF-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM COc1cc(C#N)cc(OCc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC001591507310 1093745200 /nfs/dbraw/zinc/74/52/00/1093745200.db2.gz VTMBAGRHHQNUOX-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM Cc1cc(C)n(N=CC2CCC(C(C)C)CC2)c(=O)c1-c1nnn[n-]1 ZINC001591955875 1093931901 /nfs/dbraw/zinc/93/19/01/1093931901.db2.gz JXFAOHJTHHKAJL-UHFFFAOYSA-N -1 0 342.447 2.942 20 30 EFEDRM Cc1cc(NCc2ccc(CC#N)cc2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592052147 1093967753 /nfs/dbraw/zinc/96/77/53/1093967753.db2.gz GOSDGJWXYYJQOI-UHFFFAOYSA-N -1 0 349.354 2.762 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1F ZINC001592113182 1093984271 /nfs/dbraw/zinc/98/42/71/1093984271.db2.gz HQNQWPGQPUYSAI-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C#N ZINC001592132473 1093990567 /nfs/dbraw/zinc/99/05/67/1093990567.db2.gz JRLVWZBKICBQEE-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1F ZINC001592226187 1094036951 /nfs/dbraw/zinc/03/69/51/1094036951.db2.gz FYOIMMYTYPYEQQ-UHFFFAOYSA-N -1 0 329.339 2.872 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCCSCc1ccccc1 ZINC001592334691 1094079032 /nfs/dbraw/zinc/07/90/32/1094079032.db2.gz FANBPOKUDSOZRI-UHFFFAOYSA-N -1 0 339.428 2.567 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1CCCc1ccc(C(F)(F)F)cc1 ZINC001592683875 1094176482 /nfs/dbraw/zinc/17/64/82/1094176482.db2.gz DPBFUYOSFOYIFE-UHFFFAOYSA-N -1 0 347.304 2.586 20 30 EFEDRM N#Cc1ncc(Nc2ccc3c(c2)CCCCC3)nc1-c1nnn[n-]1 ZINC001592708677 1094183240 /nfs/dbraw/zinc/18/32/40/1094183240.db2.gz IFZLJGIOBMJXHV-UHFFFAOYSA-N -1 0 332.371 2.541 20 30 EFEDRM N#Cc1ncc(N[C@@H](CC2CCC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC001592710715 1094183417 /nfs/dbraw/zinc/18/34/17/1094183417.db2.gz WCXPGKQFLHXAGL-AWEZNQCLSA-N -1 0 346.398 2.872 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1cc(F)ccc1[O-] ZINC001592794598 1094189920 /nfs/dbraw/zinc/18/99/20/1094189920.db2.gz QDWZATBTIFQRGF-XQRVVYSFSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1ccc(N=NCCCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001593284226 1094265686 /nfs/dbraw/zinc/26/56/86/1094265686.db2.gz YTVKMRVWMHZGRV-UHFFFAOYSA-N -1 0 336.355 2.595 20 30 EFEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001598712041 1094684533 /nfs/dbraw/zinc/68/45/33/1094684533.db2.gz MVOHLEUKXZTNHE-KRWDZBQOSA-N -1 0 338.363 2.603 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C#N)ccc2C)c1OC ZINC001599360961 1094694411 /nfs/dbraw/zinc/69/44/11/1094694411.db2.gz YWTABJNRKJULOO-UHFFFAOYSA-N -1 0 340.335 2.834 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001599375114 1094695811 /nfs/dbraw/zinc/69/58/11/1094695811.db2.gz FVNKAFIVRGBVDZ-NSHDSACASA-N -1 0 339.351 2.704 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2cc(C#N)c(Br)cn2)n1C ZINC001599996081 1094707891 /nfs/dbraw/zinc/70/78/91/1094707891.db2.gz UQIOACJOKZHASQ-UHFFFAOYSA-N -1 0 349.188 2.673 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2cc(F)c(C#N)cc2[N+](=O)[O-])n1C ZINC001599995908 1094708338 /nfs/dbraw/zinc/70/83/38/1094708338.db2.gz QAOOENCPYFBSED-UHFFFAOYSA-N -1 0 332.291 2.563 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc(F)cc2N(C)C)c(C(=O)[O-])nn1C ZINC001600008862 1094716697 /nfs/dbraw/zinc/71/66/97/1094716697.db2.gz DSXOWADEAFSOII-FPLPWBNLSA-N -1 0 331.347 2.528 20 30 EFEDRM Cc1c(/C=C2\COc3ccc(Cl)cc3C2=O)c(C(=O)[O-])nn1C ZINC001600008734 1094717510 /nfs/dbraw/zinc/71/75/10/1094717510.db2.gz AGNRNNMWFXLIJN-WEVVVXLNSA-N -1 0 332.743 2.739 20 30 EFEDRM Cc1c(NC(=O)COc2cccc(C#N)c2)ccc(F)c1C(=O)[O-] ZINC001600035800 1094731697 /nfs/dbraw/zinc/73/16/97/1094731697.db2.gz PWACAXQJXSYDHM-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM Cc1cc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)ncc1C#N ZINC001600063505 1094747265 /nfs/dbraw/zinc/74/72/65/1094747265.db2.gz JQMYVIRESLDOQB-UHFFFAOYSA-N -1 0 336.307 2.589 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001600074302 1094753141 /nfs/dbraw/zinc/75/31/41/1094753141.db2.gz XFDPEZMLOVESOZ-UHFFFAOYSA-N -1 0 338.338 2.903 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001600074634 1094753171 /nfs/dbraw/zinc/75/31/71/1094753171.db2.gz MVIBNWSOMUXHIM-VQIMIIECSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001600075179 1094753183 /nfs/dbraw/zinc/75/31/83/1094753183.db2.gz LCTMNMRSDOMEFU-HNNXBMFYSA-N -1 0 342.326 2.812 20 30 EFEDRM Cc1cc(C#N)cc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001600074186 1094753379 /nfs/dbraw/zinc/75/33/79/1094753379.db2.gz RCRFMJZMSLCJSF-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)N(c1cc(C#N)cc(C)n1)C1CC1 ZINC001600073971 1094753389 /nfs/dbraw/zinc/75/33/89/1094753389.db2.gz FWDGBFPEWCQAGZ-UHFFFAOYSA-N -1 0 325.324 2.671 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001600075090 1094753502 /nfs/dbraw/zinc/75/35/02/1094753502.db2.gz HXZXAVXROQMOHS-UHFFFAOYSA-N -1 0 329.743 2.543 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001600075016 1094753791 /nfs/dbraw/zinc/75/37/91/1094753791.db2.gz YLLNUKRORZXZMI-SFHVURJKSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001600074184 1094753807 /nfs/dbraw/zinc/75/38/07/1094753807.db2.gz QWCYLCUIENKPLN-NSHDSACASA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001600074727 1094754047 /nfs/dbraw/zinc/75/40/47/1094754047.db2.gz QJTRDGPUMDOQNQ-SFHVURJKSA-N -1 0 336.391 2.702 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600075861 1094755210 /nfs/dbraw/zinc/75/52/10/1094755210.db2.gz FCPUSGDLHLMAIC-SFHVURJKSA-N -1 0 345.358 2.971 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001600075809 1094755250 /nfs/dbraw/zinc/75/52/50/1094755250.db2.gz BXLRNSXRLJXBIO-AWEZNQCLSA-N -1 0 343.770 2.861 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ncc1C#N ZINC001600102021 1094772438 /nfs/dbraw/zinc/77/24/38/1094772438.db2.gz QVOVPVWAPBIQER-UHFFFAOYSA-N -1 0 328.353 2.546 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c1 ZINC001600110522 1094777890 /nfs/dbraw/zinc/77/78/90/1094777890.db2.gz ORLHAFORVXQWML-UHFFFAOYSA-N -1 0 347.334 2.602 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001600118022 1094782485 /nfs/dbraw/zinc/78/24/85/1094782485.db2.gz BATJMSVSIXELOS-INIZCTEOSA-N -1 0 333.347 2.886 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001600132090 1094791672 /nfs/dbraw/zinc/79/16/72/1094791672.db2.gz GSIZILUHMKYMDE-UHFFFAOYSA-N -1 0 349.686 2.972 20 30 EFEDRM Cc1cc(/C=C2/C(=O)c3nccn3[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC001600186603 1094850787 /nfs/dbraw/zinc/85/07/87/1094850787.db2.gz QFCMCDCEBGZLHH-ACLQVGRQSA-N -1 0 326.352 2.804 20 30 EFEDRM Cc1cc(CN(CC#N)CCC(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC001600190080 1094859202 /nfs/dbraw/zinc/85/92/02/1094859202.db2.gz AINQPQFFMCDOEO-UHFFFAOYSA-N -1 0 344.802 2.906 20 30 EFEDRM Cc1cc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)oc1C(=O)[O-] ZINC001600197477 1094868830 /nfs/dbraw/zinc/86/88/30/1094868830.db2.gz PSJKEIOCXLGXHB-UHFFFAOYSA-N -1 0 344.342 2.891 20 30 EFEDRM Cc1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)oc1C(=O)[O-] ZINC001600198516 1094870794 /nfs/dbraw/zinc/87/07/94/1094870794.db2.gz OZWZHTXSOSWUHY-AWEZNQCLSA-N -1 0 326.352 2.990 20 30 EFEDRM Cc1cc(CNC(=O)c2ccccc2SCC#N)oc1C(=O)[O-] ZINC001600203171 1094875916 /nfs/dbraw/zinc/87/59/16/1094875916.db2.gz UHFLITKFKSWSTM-UHFFFAOYSA-N -1 0 330.365 2.832 20 30 EFEDRM Cc1cc(COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600213078 1094891284 /nfs/dbraw/zinc/89/12/84/1094891284.db2.gz FSCGFYVNHACXJL-CQSZACIVSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600223292 1094899679 /nfs/dbraw/zinc/89/96/79/1094899679.db2.gz BQIURZDULVDAKZ-HMDURAKOSA-N -1 0 331.347 2.627 20 30 EFEDRM Cc1cc(N(C)C)ccc1/C=C1\CCn2nc(C(=O)[O-])cc2C1=O ZINC001600237356 1094909693 /nfs/dbraw/zinc/90/96/93/1094909693.db2.gz WRLNHOFUYULYPN-UKTHLTGXSA-N -1 0 325.368 2.626 20 30 EFEDRM Cc1cc(NCc2nc(C(=O)[O-])co2)n2c3ccccc3nc2c1C#N ZINC001600282993 1094942785 /nfs/dbraw/zinc/94/27/85/1094942785.db2.gz JKZCJASKUWBLBY-UHFFFAOYSA-N -1 0 347.334 2.966 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C\c1ccccc1C#N ZINC001600288885 1094947918 /nfs/dbraw/zinc/94/79/18/1094947918.db2.gz KPZMIFISICHQGK-TWGQIWQCSA-N -1 0 336.347 2.982 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C/c1ccccc1C#N ZINC001600288884 1094948230 /nfs/dbraw/zinc/94/82/30/1094948230.db2.gz KPZMIFISICHQGK-RMKNXTFCSA-N -1 0 336.347 2.982 20 30 EFEDRM Cc1cc(OCc2noc(CCCC(=O)[O-])n2)c(C)c(C)c1C#N ZINC001600291810 1094950184 /nfs/dbraw/zinc/95/01/84/1094950184.db2.gz XYBBSWSDILXGOL-UHFFFAOYSA-N -1 0 329.356 2.853 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1C#N ZINC001600292580 1094951152 /nfs/dbraw/zinc/95/11/52/1094951152.db2.gz VVVLJRUUUJMKGI-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001600306358 1094957369 /nfs/dbraw/zinc/95/73/69/1094957369.db2.gz OJAVOQQGPCPNAV-UHFFFAOYSA-N -1 0 334.335 2.622 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001600328758 1094976008 /nfs/dbraw/zinc/97/60/08/1094976008.db2.gz FNVVRADCACPGSY-FLVLSHQESA-N -1 0 337.375 2.546 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001600328618 1094976364 /nfs/dbraw/zinc/97/63/64/1094976364.db2.gz MOJXCNROHIAFQS-UHFFFAOYSA-N -1 0 328.328 2.610 20 30 EFEDRM Cc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1C#N ZINC001600331477 1094978957 /nfs/dbraw/zinc/97/89/57/1094978957.db2.gz DZRZXWNYROOIMQ-UHFFFAOYSA-N -1 0 327.365 2.831 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)Cc1csc(C#N)c1 ZINC001600361702 1095003605 /nfs/dbraw/zinc/00/36/05/1095003605.db2.gz UUMGJFZYLMBFGJ-UHFFFAOYSA-N -1 0 337.378 2.535 20 30 EFEDRM Cc1ccc([C@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])cc1C ZINC001600383878 1095021963 /nfs/dbraw/zinc/02/19/63/1095021963.db2.gz ZRPQMTBZYVFUFG-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1ccc(C2=NO[C@@H](CNc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600394879 1095031699 /nfs/dbraw/zinc/03/16/99/1095031699.db2.gz ATCDLQPPUFXGJT-CYBMUJFWSA-N -1 0 336.351 2.565 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001600433644 1095063911 /nfs/dbraw/zinc/06/39/11/1095063911.db2.gz QRNNLBVQDDLKIP-GOEBONIOSA-N -1 0 330.384 2.512 20 30 EFEDRM Cc1ccc(OC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C(=O)[O-])c1 ZINC001600466635 1095087881 /nfs/dbraw/zinc/08/78/81/1095087881.db2.gz OFVDXQOAWKGBJB-UHFFFAOYSA-N -1 0 347.330 2.970 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2cccc(CC#N)c2)cc1C(=O)[O-] ZINC001600483519 1095099902 /nfs/dbraw/zinc/09/99/02/1095099902.db2.gz PKIHKGKLGNKZIT-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(C#N)cc2)c1 ZINC001600515465 1095125803 /nfs/dbraw/zinc/12/58/03/1095125803.db2.gz XHKMWQKPWXTESQ-QGZVFWFLSA-N -1 0 338.363 2.578 20 30 EFEDRM Cc1cccc(COCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001600534854 1095143201 /nfs/dbraw/zinc/14/32/01/1095143201.db2.gz QDRNOLCYBDAKQZ-GOSISDBHSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C\c3cccc(C(=O)[O-])n3)S2)c1 ZINC001600541733 1095148392 /nfs/dbraw/zinc/14/83/92/1095148392.db2.gz ABEWFJHWLSSHDA-NTEUORMPSA-N -1 0 339.376 2.980 20 30 EFEDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)/C=C/c1ccccc1C#N ZINC001600554813 1095160295 /nfs/dbraw/zinc/16/02/95/1095160295.db2.gz IOYRUMVWZZIACG-BBVFFXRHSA-N -1 0 332.359 2.922 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC001600555922 1095161618 /nfs/dbraw/zinc/16/16/18/1095161618.db2.gz RVSNEFVNJNTXNQ-CQSZACIVSA-N -1 0 333.347 2.989 20 30 EFEDRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(c2ccsc2C#N)CC1 ZINC001600567887 1095173322 /nfs/dbraw/zinc/17/33/22/1095173322.db2.gz OFFOLJSZLRNALG-KRWDZBQOSA-N -1 0 341.436 2.876 20 30 EFEDRM Cc1ccn(Cc2cc(C(=O)[O-])ccc2Br)c(=O)c1C#N ZINC001600597934 1095200019 /nfs/dbraw/zinc/20/00/19/1095200019.db2.gz JCHGINKGSLEOKZ-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)Cc1ccc(OCC#N)cc1 ZINC001600647107 1095233216 /nfs/dbraw/zinc/23/32/16/1095233216.db2.gz AJXJOJMCPHCVPC-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM Cc1csc(CCC(=O)OCC#Cc2cccc(C(=O)[O-])c2)n1 ZINC001600658023 1095242158 /nfs/dbraw/zinc/24/21/58/1095242158.db2.gz NEVBJGOLMNXVHB-UHFFFAOYSA-N -1 0 329.377 2.677 20 30 EFEDRM Cc1csc(NC(=O)Cc2cccc(OCC#N)c2)c1C(=O)[O-] ZINC001600662658 1095245875 /nfs/dbraw/zinc/24/58/75/1095245875.db2.gz BQZHAADUGYAOQY-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM Cc1csc(NC(=O)N2CCc3ccc(C(=O)[O-])nc3C2)c1C#N ZINC001600664292 1095247021 /nfs/dbraw/zinc/24/70/21/1095247021.db2.gz WVNBJOQRWXCIED-UHFFFAOYSA-N -1 0 342.380 2.612 20 30 EFEDRM Cc1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c2ccccn12 ZINC001600686317 1095257964 /nfs/dbraw/zinc/25/79/64/1095257964.db2.gz BKYCUSGTTDDCER-UHFFFAOYSA-N -1 0 335.319 2.570 20 30 EFEDRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600686438 1095258100 /nfs/dbraw/zinc/25/81/00/1095258100.db2.gz ICEDUXFVLXKTKW-UHFFFAOYSA-N -1 0 335.429 2.580 20 30 EFEDRM Cc1nc(Cl)ccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600705275 1095274325 /nfs/dbraw/zinc/27/43/25/1095274325.db2.gz JDAABYYCMQMKCZ-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1nc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600705286 1095275287 /nfs/dbraw/zinc/27/52/87/1095275287.db2.gz JPSNVTDHOKVDAG-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1nc(N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c(Cl)cc1C#N ZINC001600710164 1095277617 /nfs/dbraw/zinc/27/76/17/1095277617.db2.gz LTYRSHUMNICCBD-KRWDZBQOSA-N -1 0 349.818 2.501 20 30 EFEDRM Cc1nc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c(Cl)cc1C#N ZINC001600710165 1095278326 /nfs/dbraw/zinc/27/83/26/1095278326.db2.gz LTYRSHUMNICCBD-QGZVFWFLSA-N -1 0 349.818 2.501 20 30 EFEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3cc(C(=O)[O-])n(C)c3)cc12 ZINC001600775262 1095324009 /nfs/dbraw/zinc/32/40/09/1095324009.db2.gz NVWTXMDYKJIOCX-SNAWJCMRSA-N -1 0 329.381 2.876 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001600783634 1095330533 /nfs/dbraw/zinc/33/05/33/1095330533.db2.gz SFJBNMOEHCRUEH-GJZGRUSLSA-N -1 0 347.415 2.533 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796707008 1095338430 /nfs/dbraw/zinc/33/84/30/1095338430.db2.gz PTXOCPUANJHSFA-GOEBONIOSA-N -1 0 336.457 2.956 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600811049 1095346727 /nfs/dbraw/zinc/34/67/27/1095346727.db2.gz RYTPGKITHBZKBN-OAHLLOKOSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600811048 1095346984 /nfs/dbraw/zinc/34/69/84/1095346984.db2.gz RYTPGKITHBZKBN-HNNXBMFYSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1C#N ZINC001600819935 1095354013 /nfs/dbraw/zinc/35/40/13/1095354013.db2.gz MYTSHJULNURNNR-VIFPVBQESA-N -1 0 336.398 2.722 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001600825334 1095359044 /nfs/dbraw/zinc/35/90/44/1095359044.db2.gz RLSQDEDRVMIZOK-UHFFFAOYSA-N -1 0 326.352 2.909 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2 ZINC001600829755 1095364317 /nfs/dbraw/zinc/36/43/17/1095364317.db2.gz SSRNPGMFKCCYKD-SECBINFHSA-N -1 0 339.351 2.930 20 30 EFEDRM Cc1oc(C=NN[C@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC001600837942 1095370158 /nfs/dbraw/zinc/37/01/58/1095370158.db2.gz ICNZOZNUKBUUSD-LLVKDONJSA-N -1 0 344.367 2.960 20 30 EFEDRM Cc1oc(CN(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600841372 1095371776 /nfs/dbraw/zinc/37/17/76/1095371776.db2.gz XJCJEIAAHRYIRB-VMPITWQZSA-N -1 0 345.326 2.666 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC001600875255 1095397443 /nfs/dbraw/zinc/39/74/43/1095397443.db2.gz UFHKZKLXOGOFIK-UHFFFAOYSA-N -1 0 343.360 2.782 20 30 EFEDRM Cc1sc([C@H]2CCCN2c2ncc(C#N)cc2F)nc1C(=O)[O-] ZINC001600879927 1095403102 /nfs/dbraw/zinc/40/31/02/1095403102.db2.gz XFCKTTGUGNXWCM-LLVKDONJSA-N -1 0 332.360 2.897 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)NCC2(CC#N)CC2)nc1C(=O)[O-] ZINC001600879000 1095403577 /nfs/dbraw/zinc/40/35/77/1095403577.db2.gz DUPDBKMDJYAKCO-NSHDSACASA-N -1 0 348.428 2.690 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)nc1C(=O)[O-] ZINC001600879824 1095403999 /nfs/dbraw/zinc/40/39/99/1095403999.db2.gz QFCFWQRAZIDKJX-TUAOUCFPSA-N -1 0 348.428 2.689 20 30 EFEDRM Cc1sc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2C#N)c(C(=O)[O-])c1C ZINC001600885853 1095407268 /nfs/dbraw/zinc/40/72/68/1095407268.db2.gz QEVKBUBELGODHE-VXGBXAGGSA-N -1 0 335.429 2.626 20 30 EFEDRM Cc1sc(NC(=O)CN2CCC[C@](C)(C#N)C2)c(C(=O)[O-])c1C ZINC001600885560 1095407555 /nfs/dbraw/zinc/40/75/55/1095407555.db2.gz BNKDMSCVJMCZMQ-MRXNPFEDSA-N -1 0 335.429 2.627 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001600899809 1095413729 /nfs/dbraw/zinc/41/37/29/1095413729.db2.gz SSZVXTDVUMWHLU-UHFFFAOYSA-N -1 0 343.408 2.857 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001600905475 1095419074 /nfs/dbraw/zinc/41/90/74/1095419074.db2.gz MQFOYRYXYUVWDS-HUUCEWRRSA-N -1 0 337.379 2.635 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001600927362 1095433159 /nfs/dbraw/zinc/43/31/59/1095433159.db2.gz FOVYLPIVOSNKND-ZDUSSCGKSA-N -1 0 336.706 2.672 20 30 EFEDRM N#CC(C(=O)CCCn1ccc(C(=O)[O-])n1)c1nc(C2CC2)cs1 ZINC001601045334 1095478167 /nfs/dbraw/zinc/47/81/67/1095478167.db2.gz ASXDHZDEVHMQAZ-LLVKDONJSA-N -1 0 344.396 2.572 20 30 EFEDRM N#C[C@@H](C(=O)c1cncc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC001601047093 1095478273 /nfs/dbraw/zinc/47/82/73/1095478273.db2.gz ILDBMLQIZHJKCA-LLVKDONJSA-N -1 0 335.241 2.684 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001601047346 1095478424 /nfs/dbraw/zinc/47/84/24/1095478424.db2.gz NKNJTPOYGYHUAN-ZDUSSCGKSA-N -1 0 342.317 2.625 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])no1)c1c(Cl)cccc1Cl ZINC001601048928 1095479546 /nfs/dbraw/zinc/47/95/46/1095479546.db2.gz RHTGXDKYTOSXTD-SECBINFHSA-N -1 0 340.122 2.674 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC001601049093 1095479707 /nfs/dbraw/zinc/47/97/07/1095479707.db2.gz MLPSJQGGXZXZJS-UHFFFAOYSA-N -1 0 346.814 2.880 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC001601051450 1095481536 /nfs/dbraw/zinc/48/15/36/1095481536.db2.gz PUXGWTQWSJWCML-OAHLLOKOSA-N -1 0 345.374 2.603 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1 ZINC001601052236 1095481733 /nfs/dbraw/zinc/48/17/33/1095481733.db2.gz NTXRCKLMHHFKDG-UHFFFAOYSA-N -1 0 338.367 2.904 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC001601054821 1095482905 /nfs/dbraw/zinc/48/29/05/1095482905.db2.gz AOXVQWSCEKTMCL-UHFFFAOYSA-N -1 0 345.157 2.963 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccco3)s2)CC1 ZINC001601054896 1095483093 /nfs/dbraw/zinc/48/30/93/1095483093.db2.gz BDVVRVAQYYVIER-UHFFFAOYSA-N -1 0 330.365 2.839 20 30 EFEDRM N#CC1(CC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CCCCC1 ZINC001601054731 1095483194 /nfs/dbraw/zinc/48/31/94/1095483194.db2.gz MPXVZIKZPMXQMA-NWDGAFQWSA-N -1 0 346.349 2.962 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2c[nH]cc2-c2ccccc2F)CC1 ZINC001601055480 1095483298 /nfs/dbraw/zinc/48/32/98/1095483298.db2.gz KNDIPMSUTNDIAN-UHFFFAOYSA-N -1 0 341.342 2.651 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)CC1 ZINC001601054986 1095483406 /nfs/dbraw/zinc/48/34/06/1095483406.db2.gz CWXSDTKLRGTCMN-UHFFFAOYSA-N -1 0 327.384 2.600 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCCC1 ZINC001601056411 1095484282 /nfs/dbraw/zinc/48/42/82/1095484282.db2.gz JAHFLSSXKFPWRD-UHFFFAOYSA-N -1 0 327.384 2.536 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001601057869 1095484374 /nfs/dbraw/zinc/48/43/74/1095484374.db2.gz FIGOYWCALXGMNZ-IBGZPJMESA-N -1 0 339.370 2.976 20 30 EFEDRM N#CC1(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCCC1 ZINC001601056662 1095484484 /nfs/dbraw/zinc/48/44/84/1095484484.db2.gz UERXXVRYKZGZJJ-UHFFFAOYSA-N -1 0 327.384 2.884 20 30 EFEDRM N#CC1(CNC(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC001601056581 1095484556 /nfs/dbraw/zinc/48/45/56/1095484556.db2.gz POSTWGAWHKIHAG-LLVKDONJSA-N -1 0 341.289 2.591 20 30 EFEDRM N#CC1(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCCCC1 ZINC001601056653 1095484674 /nfs/dbraw/zinc/48/46/74/1095484674.db2.gz TVYYEGAVFSXAED-UHFFFAOYSA-N -1 0 341.371 2.857 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccsc2C(=O)[O-])C1 ZINC001601058523 1095484813 /nfs/dbraw/zinc/48/48/13/1095484813.db2.gz NCIAFZQZNKMBQD-KRWDZBQOSA-N -1 0 341.392 2.539 20 30 EFEDRM N#CC1(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCCC1 ZINC001601056645 1095484986 /nfs/dbraw/zinc/48/49/86/1095484986.db2.gz SMLZUUVRVOYWAR-UHFFFAOYSA-N -1 0 325.368 2.540 20 30 EFEDRM N#C[C@@]1(NC(=O)/C=C/c2cc(C(=O)[O-])co2)CCc2ccccc2C1 ZINC001601056896 1095485088 /nfs/dbraw/zinc/48/50/88/1095485088.db2.gz DKHYTQZVUPOCSA-ZMBJWTFHSA-N -1 0 336.347 2.558 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001601060007 1095486078 /nfs/dbraw/zinc/48/60/78/1095486078.db2.gz TXYWZGOWHKESLI-MRVPVSSYSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCCC[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601066856 1095487947 /nfs/dbraw/zinc/48/79/47/1095487947.db2.gz QSVNERFBEMKKFZ-DRMAHVMPSA-N -1 0 341.411 2.974 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001601066339 1095488120 /nfs/dbraw/zinc/48/81/20/1095488120.db2.gz ACFXQRCWKJMLIY-MRXNPFEDSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CCCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601064773 1095488221 /nfs/dbraw/zinc/48/82/21/1095488221.db2.gz IWHZFXVARIPGMT-AWEZNQCLSA-N -1 0 348.380 2.691 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC001601066414 1095488584 /nfs/dbraw/zinc/48/85/84/1095488584.db2.gz BMLCWLPVANKKIW-UHFFFAOYSA-N -1 0 339.395 2.882 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cc2cc(Br)ccc2o1 ZINC001601071951 1095489307 /nfs/dbraw/zinc/48/93/07/1095489307.db2.gz BFCRBQGHJIKQLM-UHFFFAOYSA-N -1 0 337.173 2.996 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccccc1CCc1ccccc1 ZINC001601071647 1095489441 /nfs/dbraw/zinc/48/94/41/1095489441.db2.gz BYKZLPUFILSGJX-UHFFFAOYSA-N -1 0 336.391 2.912 20 30 EFEDRM N#CCN(CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC001601072814 1095489476 /nfs/dbraw/zinc/48/94/76/1095489476.db2.gz ZUZCVXCOQFXSKF-UHFFFAOYSA-N -1 0 339.273 2.771 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccnc2c(Br)cccc12 ZINC001601071938 1095489691 /nfs/dbraw/zinc/48/96/91/1095489691.db2.gz AYCZVCAVXPXHDY-UHFFFAOYSA-N -1 0 348.200 2.798 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(OCc2ccccc2)cc1 ZINC001601072032 1095489713 /nfs/dbraw/zinc/48/97/13/1095489713.db2.gz MZRMROYOZJIXFJ-UHFFFAOYSA-N -1 0 338.363 2.706 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC001601069938 1095489715 /nfs/dbraw/zinc/48/97/15/1095489715.db2.gz HKQSZQTYCZENJL-UHFFFAOYSA-N -1 0 345.424 2.836 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc2ccccc2cc1OC(F)F ZINC001601070035 1095489749 /nfs/dbraw/zinc/48/97/49/1095489749.db2.gz JQQANRLDVVTXLK-UHFFFAOYSA-N -1 0 348.305 2.882 20 30 EFEDRM N#CCN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1ccccc1 ZINC001601069319 1095489971 /nfs/dbraw/zinc/48/99/71/1095489971.db2.gz BPEPNHOCKDFZMI-UHFFFAOYSA-N -1 0 346.346 2.741 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC001601072547 1095490122 /nfs/dbraw/zinc/49/01/22/1095490122.db2.gz XHPIVWOZBVXNQQ-UHFFFAOYSA-N -1 0 349.799 2.904 20 30 EFEDRM N#CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001601073844 1095490962 /nfs/dbraw/zinc/49/09/62/1095490962.db2.gz BJUOXPHXRVGBHB-VQIMIIECSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCSc1cccc(C(=O)Nc2cccc(CC(=O)[O-])n2)c1 ZINC001601075339 1095491538 /nfs/dbraw/zinc/49/15/38/1095491538.db2.gz KEJOYVYJMIYIJY-UHFFFAOYSA-N -1 0 327.365 2.577 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001601073798 1095491850 /nfs/dbraw/zinc/49/18/50/1095491850.db2.gz APUHCXIHSYHKAE-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#CCOc1cccc(OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001601075698 1095491869 /nfs/dbraw/zinc/49/18/69/1095491869.db2.gz NOVGFIRBQMPNNV-QFBILLFUSA-N -1 0 337.331 2.753 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)Cc1cccc(C(=O)[O-])c1)C2 ZINC001601077985 1095492782 /nfs/dbraw/zinc/49/27/82/1095492782.db2.gz LSMHISNTVLUUDT-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM N#CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001601076275 1095492854 /nfs/dbraw/zinc/49/28/54/1095492854.db2.gz YPMHDNPUJQFOGS-QFBILLFUSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001601076813 1095493073 /nfs/dbraw/zinc/49/30/73/1095493073.db2.gz UVRMIMYGCYQJDM-UHFFFAOYSA-N -1 0 349.390 2.719 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001601076166 1095493269 /nfs/dbraw/zinc/49/32/69/1095493269.db2.gz WGQRRFNRJLVNKH-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCc1ccccc1CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001601078199 1095493370 /nfs/dbraw/zinc/49/33/70/1095493370.db2.gz IHUDGBMVOAGYHX-QGZVFWFLSA-N -1 0 328.412 2.835 20 30 EFEDRM N#CCc1cccc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n1 ZINC001601077423 1095493555 /nfs/dbraw/zinc/49/35/55/1095493555.db2.gz CWXKTVAVMIUTRB-UHFFFAOYSA-N -1 0 342.424 2.761 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601080611 1095494692 /nfs/dbraw/zinc/49/46/92/1095494692.db2.gz GGRUKIYKVZIYJI-HNNXBMFYSA-N -1 0 333.800 2.901 20 30 EFEDRM N#Cc1c(COC(=O)c2sc(N)nc2C2CC2)cccc1C(=O)[O-] ZINC001601080390 1095494776 /nfs/dbraw/zinc/49/47/76/1095494776.db2.gz LWEAXOQXQKTXJT-UHFFFAOYSA-N -1 0 343.364 2.530 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001601078504 1095494921 /nfs/dbraw/zinc/49/49/21/1095494921.db2.gz NLEJDHLWFXBTED-UHFFFAOYSA-N -1 0 339.307 2.540 20 30 EFEDRM N#Cc1c(CSc2nc(C(F)F)cc(=O)[nH]2)cccc1C(=O)[O-] ZINC001601080327 1095494926 /nfs/dbraw/zinc/49/49/26/1095494926.db2.gz JAKYNUCZKYGHIZ-UHFFFAOYSA-N -1 0 337.307 2.982 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001601078742 1095495066 /nfs/dbraw/zinc/49/50/66/1095495066.db2.gz YPMJBBKLHIFPTE-UHFFFAOYSA-N -1 0 334.335 2.508 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc3c2CC(=O)CC3)cccc1C(=O)[O-] ZINC001601080455 1095495103 /nfs/dbraw/zinc/49/51/03/1095495103.db2.gz NOTJSHBTDPLWKR-UHFFFAOYSA-N -1 0 349.342 2.671 20 30 EFEDRM N#CCc1ccsc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001601078782 1095495226 /nfs/dbraw/zinc/49/52/26/1095495226.db2.gz APSYLVLDKJIMDO-CYBMUJFWSA-N -1 0 346.383 2.627 20 30 EFEDRM N#Cc1c(Cn2ccnc2C(=O)c2cccs2)cccc1C(=O)[O-] ZINC001601080907 1095496375 /nfs/dbraw/zinc/49/63/75/1095496375.db2.gz LHUFZSXESQUCIG-UHFFFAOYSA-N -1 0 337.360 2.794 20 30 EFEDRM N#Cc1c(CNc2cc3c(cc2F)NC(=O)CC3)cccc1C(=O)[O-] ZINC001601080997 1095496416 /nfs/dbraw/zinc/49/64/16/1095496416.db2.gz CAWQZMTXUBEXHF-UHFFFAOYSA-N -1 0 339.326 2.892 20 30 EFEDRM N#Cc1c(CNc2ccc(Cl)cc2C(N)=O)cccc1C(=O)[O-] ZINC001601081842 1095496422 /nfs/dbraw/zinc/49/64/22/1095496422.db2.gz NEDIQSDXBFFWIN-UHFFFAOYSA-N -1 0 329.743 2.621 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001601081367 1095496583 /nfs/dbraw/zinc/49/65/83/1095496583.db2.gz KNDGAGCAHKCWCL-UHFFFAOYSA-N -1 0 349.346 2.547 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001601082593 1095496702 /nfs/dbraw/zinc/49/67/02/1095496702.db2.gz NQKOFOYOUUYIMC-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1c(CNc2cc3c(cc2C(=O)[O-])OCO3)cn2ccccc12 ZINC001601082380 1095496789 /nfs/dbraw/zinc/49/67/89/1095496789.db2.gz RXJIVNCPTPIZBU-UHFFFAOYSA-N -1 0 335.319 2.850 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001601082361 1095496878 /nfs/dbraw/zinc/49/68/78/1095496878.db2.gz LIZKSBXHYKZHGL-UHFFFAOYSA-N -1 0 331.328 2.982 20 30 EFEDRM N#Cc1c(F)cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1F ZINC001601081147 1095496886 /nfs/dbraw/zinc/49/68/86/1095496886.db2.gz NIESYZGNVCLWQA-UHFFFAOYSA-N -1 0 346.289 2.942 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)ccc12 ZINC001601084844 1095497552 /nfs/dbraw/zinc/49/75/52/1095497552.db2.gz GLWOPAAORXQIQU-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001601084047 1095497941 /nfs/dbraw/zinc/49/79/41/1095497941.db2.gz FKASWTRRJGBROF-NSHDSACASA-N -1 0 332.360 2.742 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001601084046 1095498004 /nfs/dbraw/zinc/49/80/04/1095498004.db2.gz FKASWTRRJGBROF-LLVKDONJSA-N -1 0 332.360 2.742 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001601084213 1095498018 /nfs/dbraw/zinc/49/80/18/1095498018.db2.gz NLWUPZJGRFSOGI-WMLDXEAASA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccsc2C(=O)[O-])cnc1C(F)(F)F ZINC001601086540 1095499054 /nfs/dbraw/zinc/49/90/54/1095499054.db2.gz VKBDXXVCIUGABT-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1 ZINC001601086129 1095499113 /nfs/dbraw/zinc/49/91/13/1095499113.db2.gz YNFKLFNXAMRHCE-CQSZACIVSA-N -1 0 328.393 2.826 20 30 EFEDRM N#Cc1cc(Cl)ccc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601087041 1095499137 /nfs/dbraw/zinc/49/91/37/1095499137.db2.gz AQDQOQNZKJAPNQ-UHFFFAOYSA-N -1 0 338.816 2.627 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cs1 ZINC001601085697 1095499189 /nfs/dbraw/zinc/49/91/89/1095499189.db2.gz IVKFKLFYVGHFCQ-GFCCVEGCSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(F)c1 ZINC001601087147 1095499243 /nfs/dbraw/zinc/49/92/43/1095499243.db2.gz CGUFZQDEHXIMQM-PIGZYNQJSA-N -1 0 334.322 2.553 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(Cl)c1 ZINC001601086829 1095499281 /nfs/dbraw/zinc/49/92/81/1095499281.db2.gz KQPYCTLZKOQOIJ-OLBFVZFUSA-N -1 0 339.178 2.848 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601086869 1095499289 /nfs/dbraw/zinc/49/92/89/1095499289.db2.gz MLUCHRUFANBZCF-OLZOCXBDSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC001601085575 1095499451 /nfs/dbraw/zinc/49/94/51/1095499451.db2.gz DEZGDGUOENOSEK-AWEZNQCLSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(F)c1 ZINC001601088051 1095500608 /nfs/dbraw/zinc/50/06/08/1095500608.db2.gz OBMUFXYNUXSWOU-GFCCVEGCSA-N -1 0 336.338 2.847 20 30 EFEDRM N#Cc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001601089187 1095500665 /nfs/dbraw/zinc/50/06/65/1095500665.db2.gz SFGGANIEAIBBRF-KRWDZBQOSA-N -1 0 326.327 2.548 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001601089013 1095500689 /nfs/dbraw/zinc/50/06/89/1095500689.db2.gz DLXZUHWDTBTEQS-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001601087338 1095500884 /nfs/dbraw/zinc/50/08/84/1095500884.db2.gz FTZSBJOYOUFXGC-DOMZBBRYSA-N -1 0 342.301 2.879 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC001601087583 1095501497 /nfs/dbraw/zinc/50/14/97/1095501497.db2.gz HHRGEURYVJOQQZ-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])nc(C2CC2)n1 ZINC001601090590 1095502099 /nfs/dbraw/zinc/50/20/99/1095502099.db2.gz IVELRLHUBNDKEW-CYBMUJFWSA-N -1 0 340.358 2.720 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])[nH]1 ZINC001601091926 1095502111 /nfs/dbraw/zinc/50/21/11/1095502111.db2.gz HGDBGHDJBRDERN-HNNXBMFYSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc(NCC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001601090486 1095502267 /nfs/dbraw/zinc/50/22/67/1095502267.db2.gz DTWZHPQPWPXQRI-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@]2(CC(=O)[O-])CCCOC2)ccc1C1CC1 ZINC001601090515 1095502676 /nfs/dbraw/zinc/50/26/76/1095502676.db2.gz GBHKJAKYVDJLIS-SFHVURJKSA-N -1 0 343.383 2.581 20 30 EFEDRM N#Cc1cc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])nc(C2CC2)n1 ZINC001601090591 1095502924 /nfs/dbraw/zinc/50/29/24/1095502924.db2.gz IVELRLHUBNDKEW-ZDUSSCGKSA-N -1 0 340.358 2.720 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])[nH]1 ZINC001601091906 1095503012 /nfs/dbraw/zinc/50/30/12/1095503012.db2.gz GVKHPJWYGCDCIE-UHFFFAOYSA-N -1 0 325.349 2.729 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)[nH]1 ZINC001601093330 1095503571 /nfs/dbraw/zinc/50/35/71/1095503571.db2.gz KTANKXWGYMZOLX-UHFFFAOYSA-N -1 0 334.129 2.599 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC001601093919 1095503713 /nfs/dbraw/zinc/50/37/13/1095503713.db2.gz JEYCZVKYBUXGKU-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1O ZINC001601092503 1095503789 /nfs/dbraw/zinc/50/37/89/1095503789.db2.gz RTVLGJISHCHGBO-OAHLLOKOSA-N -1 0 330.384 2.665 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1 ZINC001601093937 1095503926 /nfs/dbraw/zinc/50/39/26/1095503926.db2.gz JOLCBULDTRVCMG-CQSZACIVSA-N -1 0 334.253 2.531 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)nc1Cl ZINC001601092532 1095504030 /nfs/dbraw/zinc/50/40/30/1095504030.db2.gz MWFOYSSSDYHACN-SGMGOOAPSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)nc1 ZINC001601092042 1095504291 /nfs/dbraw/zinc/50/42/91/1095504291.db2.gz GJRSTKCRPNVWNV-UHFFFAOYSA-N -1 0 349.390 2.746 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)nc1 ZINC001601093374 1095504515 /nfs/dbraw/zinc/50/45/15/1095504515.db2.gz MHEXWNOGIVWENP-UHFFFAOYSA-N -1 0 347.277 2.548 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC001601093608 1095504589 /nfs/dbraw/zinc/50/45/89/1095504589.db2.gz BXPOUYRWMSQCBI-LBPRGKRZSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC001601093920 1095504639 /nfs/dbraw/zinc/50/46/39/1095504639.db2.gz JEYCZVKYBUXGKU-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC001601094283 1095506443 /nfs/dbraw/zinc/50/64/43/1095506443.db2.gz QNWIWHJJXRPWEF-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1Cl ZINC001601094877 1095506665 /nfs/dbraw/zinc/50/66/65/1095506665.db2.gz ZUWHRGSLFMMAHU-UHFFFAOYSA-N -1 0 335.772 2.938 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccnc(Cl)c2)C(=O)[O-])cc1 ZINC001601095736 1095506707 /nfs/dbraw/zinc/50/67/07/1095506707.db2.gz ANYRBSFCNRAWSH-WUTVXBCWSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1O ZINC001601094510 1095507338 /nfs/dbraw/zinc/50/73/38/1095507338.db2.gz YRWXIUPHCMLFLL-SFHVURJKSA-N -1 0 346.342 2.973 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H](O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601096334 1095508214 /nfs/dbraw/zinc/50/82/14/1095508214.db2.gz SFUNAWAVPUJUPH-CABCVRRESA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)CCCC2)cc1 ZINC001601097208 1095508474 /nfs/dbraw/zinc/50/84/74/1095508474.db2.gz ATNHFYZARUQFBU-TWMKSMIVSA-N -1 0 338.407 2.595 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC001601097189 1095508661 /nfs/dbraw/zinc/50/86/61/1095508661.db2.gz ABDWALQYPYTXSF-KRWDZBQOSA-N -1 0 348.402 2.650 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601097983 1095509613 /nfs/dbraw/zinc/50/96/13/1095509613.db2.gz HSLJUCSTEYZYNN-MRXNPFEDSA-N -1 0 326.327 2.572 20 30 EFEDRM N#Cc1ccc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001601097550 1095509633 /nfs/dbraw/zinc/50/96/33/1095509633.db2.gz HUZIKOFIMSNNAI-UHFFFAOYSA-N -1 0 325.324 2.748 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC001601098554 1095509686 /nfs/dbraw/zinc/50/96/86/1095509686.db2.gz PKZAMTOOMSGGMK-IBGZPJMESA-N -1 0 345.358 2.591 20 30 EFEDRM N#Cc1ccc(CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)cn1 ZINC001601099107 1095509743 /nfs/dbraw/zinc/50/97/43/1095509743.db2.gz FZCIODQYQLGBBE-KRWDZBQOSA-N -1 0 336.347 2.815 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC001601099349 1095511415 /nfs/dbraw/zinc/51/14/15/1095511415.db2.gz LBVIKHGTNLKYDC-SQNIBIBYSA-N -1 0 340.423 2.983 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cn1 ZINC001601099290 1095511581 /nfs/dbraw/zinc/51/15/81/1095511581.db2.gz JQQARCXSLXLWDU-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3C[C@H](C(=O)[O-])Cc4ccccc43)CC2)cc1 ZINC001601099605 1095511648 /nfs/dbraw/zinc/51/16/48/1095511648.db2.gz RZHJDLQBYTYHKR-MRXNPFEDSA-N -1 0 346.386 2.880 20 30 EFEDRM N#Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c(F)c1 ZINC001601100769 1095512036 /nfs/dbraw/zinc/51/20/36/1095512036.db2.gz YIVLCKXYSCRHDV-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001601101274 1095512842 /nfs/dbraw/zinc/51/28/42/1095512842.db2.gz GYOBETFKXDABEX-UHFFFAOYSA-N -1 0 335.363 2.524 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])n2)cc1Cl ZINC001601101378 1095513032 /nfs/dbraw/zinc/51/30/32/1095513032.db2.gz NCMORHGFTBDRFC-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC001601102689 1095513093 /nfs/dbraw/zinc/51/30/93/1095513093.db2.gz WRGIGRQWHZCSKL-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001601103218 1095513374 /nfs/dbraw/zinc/51/33/74/1095513374.db2.gz JHLWRGAAEFEDGD-HNNXBMFYSA-N -1 0 346.433 2.795 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cncc(C(=O)[O-])c2)c(OC(F)F)c1 ZINC001601102742 1095513484 /nfs/dbraw/zinc/51/34/84/1095513484.db2.gz XUKJCFRBXKFEQG-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001601103174 1095513864 /nfs/dbraw/zinc/51/38/64/1095513864.db2.gz HBYLMJGHOZZVMB-QAPCUYQASA-N -1 0 344.436 2.647 20 30 EFEDRM N#Cc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1F ZINC001601100785 1095513977 /nfs/dbraw/zinc/51/39/77/1095513977.db2.gz YXDAIJMAIWVGHB-NWDGAFQWSA-N -1 0 330.281 2.782 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001601103902 1095514880 /nfs/dbraw/zinc/51/48/80/1095514880.db2.gz UMUCMDLFRLZAKF-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601103657 1095515198 /nfs/dbraw/zinc/51/51/98/1095515198.db2.gz VCDHKSYUSPXHQY-QXSJWSMHSA-N -1 0 345.420 2.834 20 30 EFEDRM N#Cc1ccc(N2CCN(c3nc(Cl)c(C(=O)[O-])s3)CC2)cc1 ZINC001601106162 1095515357 /nfs/dbraw/zinc/51/53/57/1095515357.db2.gz PZUBLEUVNQSYRU-UHFFFAOYSA-N -1 0 348.815 2.693 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001601107425 1095516106 /nfs/dbraw/zinc/51/61/06/1095516106.db2.gz NBBDKMAUGWYIQY-IAGOWNOFSA-N -1 0 335.363 2.890 20 30 EFEDRM N#Cc1ccc(NN=C2CCCn3nc(C(=O)[O-])cc32)cc1Cl ZINC001601107893 1095516191 /nfs/dbraw/zinc/51/61/91/1095516191.db2.gz PORBMEKIUNWHPQ-UHFFFAOYSA-N -1 0 329.747 2.716 20 30 EFEDRM N#Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCOCC2)c(C2CC2)c1 ZINC001601107537 1095516888 /nfs/dbraw/zinc/51/68/88/1095516888.db2.gz VHLCETQZJOSKPU-UHFFFAOYSA-N -1 0 343.383 2.581 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001601109660 1095517728 /nfs/dbraw/zinc/51/77/28/1095517728.db2.gz HCZXIOXEAVNWPD-UHFFFAOYSA-N -1 0 344.754 2.719 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001601109840 1095517901 /nfs/dbraw/zinc/51/79/01/1095517901.db2.gz OXTJXCCTIVCTQN-UHFFFAOYSA-N -1 0 325.320 2.882 20 30 EFEDRM N#Cc1ccc(S[C@H]2CCCN(CCC(=O)[O-])C2=O)c(Cl)c1 ZINC001601113465 1095518010 /nfs/dbraw/zinc/51/80/10/1095518010.db2.gz FUJLSFYTEUMCOH-ZDUSSCGKSA-N -1 0 338.816 2.769 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001601109807 1095518541 /nfs/dbraw/zinc/51/85/41/1095518541.db2.gz MYTMEQQXMSGWMN-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(C(=O)[O-])c1 ZINC001601112544 1095518813 /nfs/dbraw/zinc/51/88/13/1095518813.db2.gz BPQRCANIRVABCU-BFHYXJOUSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)CCc3ccc(C(=O)[O-])cc3)nc2c1 ZINC001601114257 1095519412 /nfs/dbraw/zinc/51/94/12/1095519412.db2.gz POTJPYYSAQEJNF-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2CCOc3c(cccc3C(=O)[O-])C2)c1 ZINC001601114218 1095519431 /nfs/dbraw/zinc/51/94/31/1095519431.db2.gz OJVWRHXIAFQAJW-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@@H]3CCCC[C@@H]3C(=O)[O-])n2)c1 ZINC001601114552 1095519797 /nfs/dbraw/zinc/51/97/97/1095519797.db2.gz CTOBLOWZNKEQSN-GOEBONIOSA-N -1 0 339.351 2.544 20 30 EFEDRM N#Cc1cccc(Br)c1NCC1(C(=O)[O-])CCOCC1 ZINC001601115303 1095520206 /nfs/dbraw/zinc/52/02/06/1095520206.db2.gz RCKKPMIBHBKXAZ-UHFFFAOYSA-N -1 0 339.189 2.614 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001601114297 1095520480 /nfs/dbraw/zinc/52/04/80/1095520480.db2.gz AAIHRLQARSJEEV-RDJZCZTQSA-N -1 0 341.411 2.736 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CSc2ccc(O)cc2)C(=O)[O-])c1 ZINC001601117068 1095520997 /nfs/dbraw/zinc/52/09/97/1095520997.db2.gz BRYTUCJOEIXGPW-INIZCTEOSA-N -1 0 343.360 2.725 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)NCCc1cccc(C(=O)[O-])c1)C2 ZINC001601115999 1095521231 /nfs/dbraw/zinc/52/12/31/1095521231.db2.gz YSCXAMADCOTPBQ-UHFFFAOYSA-N -1 0 335.363 2.524 20 30 EFEDRM N#Cc1cccc([C@H](N[C@H]2c3ccccc3OC[C@H]2F)C(=O)[O-])c1 ZINC001601117245 1095521366 /nfs/dbraw/zinc/52/13/66/1095521366.db2.gz AECLGPGNOSGNHL-PVAVHDDUSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])n3)on2)c1 ZINC001601116628 1095521425 /nfs/dbraw/zinc/52/14/25/1095521425.db2.gz YCLPTFFLIOWOMS-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1cccc([C@H](N[C@@H]2c3ccccc3OC[C@H]2F)C(=O)[O-])c1 ZINC001601117244 1095521992 /nfs/dbraw/zinc/52/19/92/1095521992.db2.gz AECLGPGNOSGNHL-HYVNUMGLSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC001601116413 1095522001 /nfs/dbraw/zinc/52/20/01/1095522001.db2.gz DDXBJXQIIQUKIF-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2noc3ccccc23)C(=O)[O-])c1 ZINC001601117148 1095522172 /nfs/dbraw/zinc/52/21/72/1095522172.db2.gz FNINLHRMUGMIRQ-KRWDZBQOSA-N -1 0 336.303 2.611 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)OCc3ccoc3C(=O)[O-])on2)c1 ZINC001601116181 1095522269 /nfs/dbraw/zinc/52/22/69/1095522269.db2.gz NIVLOXHRWMFZSR-UHFFFAOYSA-N -1 0 338.275 2.861 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2OCCc3ccccc32)C(=O)[O-])c1 ZINC001601119054 1095523256 /nfs/dbraw/zinc/52/32/56/1095523256.db2.gz UHXPHUFROJWHMW-IRXDYDNUSA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])c1 ZINC001601118503 1095523314 /nfs/dbraw/zinc/52/33/14/1095523314.db2.gz WURUQDAQUDNNKG-GFCCVEGCSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCOc3cc(F)ccc3C2)c1 ZINC001601118212 1095523390 /nfs/dbraw/zinc/52/33/90/1095523390.db2.gz IBOQRTBQDBLXGY-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)C(=O)[O-])c1 ZINC001601118136 1095523601 /nfs/dbraw/zinc/52/36/01/1095523601.db2.gz UEVHNKWSMSJXOZ-GVDBMIGSSA-N -1 0 337.331 2.736 20 30 EFEDRM N#Cc1cccc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)c1 ZINC001601120159 1095524784 /nfs/dbraw/zinc/52/47/84/1095524784.db2.gz KAGKKQZRRKMDDI-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601120675 1095524912 /nfs/dbraw/zinc/52/49/12/1095524912.db2.gz FFNTUINXZGKBHK-IBGZPJMESA-N -1 0 335.363 2.818 20 30 EFEDRM N#Cc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601120874 1095525093 /nfs/dbraw/zinc/52/50/93/1095525093.db2.gz QKYWSVCTBYHTSQ-MNOVXSKESA-N -1 0 341.289 2.675 20 30 EFEDRM N#Cc1cccc(OCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001601121264 1095525434 /nfs/dbraw/zinc/52/54/34/1095525434.db2.gz FXGOGBMILPBSAN-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)CC2)c1 ZINC001601120197 1095525511 /nfs/dbraw/zinc/52/55/11/1095525511.db2.gz LZSITVVFORGKPE-UHFFFAOYSA-N -1 0 346.346 2.803 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC001601121291 1095525631 /nfs/dbraw/zinc/52/56/31/1095525631.db2.gz GOIAXEPXPPGCPR-HNNXBMFYSA-N -1 0 330.384 2.573 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])[nH]2)C(F)(F)F)c1 ZINC001601119849 1095526137 /nfs/dbraw/zinc/52/61/37/1095526137.db2.gz ZIKDPVNQSCWLBR-LBPRGKRZSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1cccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)c1F ZINC001601123145 1095526531 /nfs/dbraw/zinc/52/65/31/1095526531.db2.gz YVPYAAOSSDVRIM-UHFFFAOYSA-N -1 0 329.331 2.763 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001601121409 1095526881 /nfs/dbraw/zinc/52/68/81/1095526881.db2.gz KQEMRPLDFVZAFE-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1cccc(OCCCSCc2cnc(C(=O)[O-])cn2)c1 ZINC001601123821 1095527199 /nfs/dbraw/zinc/52/71/99/1095527199.db2.gz UIAIWMQRYUJCHV-UHFFFAOYSA-N -1 0 329.381 2.749 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC001601124333 1095528417 /nfs/dbraw/zinc/52/84/17/1095528417.db2.gz JUGMNABAQPUUFZ-RBUKOAKNSA-N -1 0 348.402 2.818 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001601124034 1095528572 /nfs/dbraw/zinc/52/85/72/1095528572.db2.gz ANLPJVAECWCIEG-DLBZAZTESA-N -1 0 332.359 2.949 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601124456 1095528598 /nfs/dbraw/zinc/52/85/98/1095528598.db2.gz LPWHSADMIUILDZ-UHFFFAOYSA-N -1 0 342.311 2.537 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001601124693 1095528757 /nfs/dbraw/zinc/52/87/57/1095528757.db2.gz RRRJZRODCHYDDN-IPMKNSEASA-N -1 0 346.386 2.872 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)c21 ZINC001601124941 1095528810 /nfs/dbraw/zinc/52/88/10/1095528810.db2.gz ZJXFRAOEEWAHRI-AWEZNQCLSA-N -1 0 333.347 2.638 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001601124665 1095528891 /nfs/dbraw/zinc/52/88/91/1095528891.db2.gz QMUNWTAGHXIHKY-XOKHGSTOSA-N -1 0 326.396 2.765 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001601126870 1095530096 /nfs/dbraw/zinc/53/00/96/1095530096.db2.gz SOJOHZUKEORJHT-AWEZNQCLSA-N -1 0 343.314 2.895 20 30 EFEDRM N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](F)C(=O)[O-] ZINC001601127889 1095530427 /nfs/dbraw/zinc/53/04/27/1095530427.db2.gz XKHICFRIJJOVHP-ZDUSSCGKSA-N -1 0 344.367 2.862 20 30 EFEDRM N#Cc1ccnc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC001601127471 1095530818 /nfs/dbraw/zinc/53/08/18/1095530818.db2.gz NMWUBWMBINZLDU-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cnc(NCCc2ncc(C(=O)[O-])s2)c2sccc21 ZINC001601130729 1095532235 /nfs/dbraw/zinc/53/22/35/1095532235.db2.gz UALSSLQGPYMIDO-UHFFFAOYSA-N -1 0 330.394 2.977 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601129516 1095532614 /nfs/dbraw/zinc/53/26/14/1095532614.db2.gz IBGYAGFJDVKWET-ZIAGYGMSSA-N -1 0 341.392 2.952 20 30 EFEDRM N#Cc1cn(CCOc2cccc(C(=O)[O-])c2)c(=O)c2sccc21 ZINC001601129240 1095532786 /nfs/dbraw/zinc/53/27/86/1095532786.db2.gz SIFNDDYSTIVKCJ-UHFFFAOYSA-N -1 0 340.360 2.712 20 30 EFEDRM N#Cc1cnc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(Cl)c1 ZINC001601130025 1095532937 /nfs/dbraw/zinc/53/29/37/1095532937.db2.gz GITOUMMTIBGZJX-KRWDZBQOSA-N -1 0 327.771 2.839 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601130985 1095533241 /nfs/dbraw/zinc/53/32/41/1095533241.db2.gz OVENWVHIYROYGW-NWDGAFQWSA-N -1 0 343.333 2.932 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001601128730 1095533374 /nfs/dbraw/zinc/53/33/74/1095533374.db2.gz CALJELVVACLNSM-OBJOEFQTSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCSC[C@H](C(=O)[O-])C1 ZINC001601130920 1095533401 /nfs/dbraw/zinc/53/34/01/1095533401.db2.gz NZWZCDVMLNGIFR-SNVBAGLBSA-N -1 0 349.362 2.639 20 30 EFEDRM N#Cc1csc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001601130763 1095533514 /nfs/dbraw/zinc/53/35/14/1095533514.db2.gz KNQLTZMUESAFPX-AWEZNQCLSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1cnccc1S[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001601131965 1095534292 /nfs/dbraw/zinc/53/42/92/1095534292.db2.gz ZIVFNKTUGPTMAA-LBPRGKRZSA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1cscc1C(=O)OCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001601132175 1095534326 /nfs/dbraw/zinc/53/43/26/1095534326.db2.gz JWHQYMYNXJQECN-ZZXKWVIFSA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1csc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1 ZINC001601131142 1095534505 /nfs/dbraw/zinc/53/45/05/1095534505.db2.gz QZTAGPOIIWFSMU-UHFFFAOYSA-N -1 0 344.348 2.732 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001601132902 1095534647 /nfs/dbraw/zinc/53/46/47/1095534647.db2.gz HEFSJKUELAWKTQ-INIZCTEOSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1cnccc1CN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601131517 1095534757 /nfs/dbraw/zinc/53/47/57/1095534757.db2.gz CYCMTNCVGYRVFD-AWEZNQCLSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1cnccc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001601131881 1095534793 /nfs/dbraw/zinc/53/47/93/1095534793.db2.gz VQEQHCRUKDXGIO-AWEZNQCLSA-N -1 0 346.184 2.631 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H](O)c1ccc2ccccc2c1 ZINC001601133455 1095534912 /nfs/dbraw/zinc/53/49/12/1095534912.db2.gz SDHNLZQVOTTWPU-SFHVURJKSA-N -1 0 333.347 2.950 20 30 EFEDRM N#Cc1csc(CNC(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])n1 ZINC001601132030 1095535181 /nfs/dbraw/zinc/53/51/81/1095535181.db2.gz BSCGGECUOHGNAV-UHFFFAOYSA-N -1 0 341.352 2.516 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(OCc2ccccc2)CC1 ZINC001601133388 1095535258 /nfs/dbraw/zinc/53/52/58/1095535258.db2.gz OGVRXLLFFKOIJX-UHFFFAOYSA-N -1 0 337.379 2.837 20 30 EFEDRM N#Cc1nc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1Cl ZINC001601134328 1095536017 /nfs/dbraw/zinc/53/60/17/1095536017.db2.gz OLLIYIADOHGSSR-UHFFFAOYSA-N -1 0 327.731 2.793 20 30 EFEDRM N#Cc1nc(N2CCOc3c(cccc3C(=O)[O-])C2)sc1Cl ZINC001601134343 1095536317 /nfs/dbraw/zinc/53/63/17/1095536317.db2.gz PIBVXXHTUIJRKR-UHFFFAOYSA-N -1 0 335.772 2.765 20 30 EFEDRM N#Cc1ncccc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001601134228 1095536597 /nfs/dbraw/zinc/53/65/97/1095536597.db2.gz LQLWSZJXHADNSO-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1ncccc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001601133989 1095536740 /nfs/dbraw/zinc/53/67/40/1095536740.db2.gz BOOQVFANPUVLFM-QWHCGFSZSA-N -1 0 329.306 2.536 20 30 EFEDRM Nc1nc(Cl)cc(N=NC2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC001601220155 1095561231 /nfs/dbraw/zinc/56/12/31/1095561231.db2.gz DEEMENQHHKDJMS-VIFPVBQESA-N -1 0 325.800 2.925 20 30 EFEDRM O=C([O-])c1occc1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001601223133 1095563603 /nfs/dbraw/zinc/56/36/03/1095563603.db2.gz CDTPJQIHVBUFJJ-UHFFFAOYSA-N -1 0 337.253 2.665 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC001601250157 1095578568 /nfs/dbraw/zinc/57/85/68/1095578568.db2.gz PNCUPALWJDKDSL-INIZCTEOSA-N -1 0 328.364 2.771 20 30 EFEDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001601407155 1095661193 /nfs/dbraw/zinc/66/11/93/1095661193.db2.gz VBMDHESNDRZOGT-MRVPVSSYSA-N -1 0 347.186 2.980 20 30 EFEDRM O=C([O-])c1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c[nH]1 ZINC001601446060 1095678091 /nfs/dbraw/zinc/67/80/91/1095678091.db2.gz GLCSLTHEDOTINO-UHFFFAOYSA-N -1 0 336.269 2.513 20 30 EFEDRM O=C([O-])c1nc[nH]c1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001601576811 1095740593 /nfs/dbraw/zinc/74/05/93/1095740593.db2.gz GQRBFQVWQQWYFJ-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM O=C([O-])C1(NC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC001601615923 1095766023 /nfs/dbraw/zinc/76/60/23/1095766023.db2.gz NHNYQZGLVGKCBE-UHFFFAOYSA-N -1 0 326.377 2.887 20 30 EFEDRM O=C([O-])[C@H](C[C@@H]1CCCO1)/N=C\c1cc(Br)ccc1O ZINC001601646175 1095783927 /nfs/dbraw/zinc/78/39/27/1095783927.db2.gz LIFYHPXYNXEUHN-LNDOMPNFSA-N -1 0 342.189 2.596 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc(C(C)(C)C)cc1 ZINC001204673903 1095862512 /nfs/dbraw/zinc/86/25/12/1095862512.db2.gz SMHXHGXPGAPIGI-MRXNPFEDSA-N -1 0 342.457 2.960 20 30 EFEDRM O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001601734986 1095873304 /nfs/dbraw/zinc/87/33/04/1095873304.db2.gz JHQUOOLNEOBXMU-LJQANCHMSA-N -1 0 331.371 2.990 20 30 EFEDRM O=C([O-])C[C@H](NC(=O)C#CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001601896483 1095963032 /nfs/dbraw/zinc/96/30/32/1095963032.db2.gz MIYIQEOYBODTAJ-ZDUSSCGKSA-N -1 0 341.285 2.631 20 30 EFEDRM O=C([O-])CC1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001601946862 1095987167 /nfs/dbraw/zinc/98/71/67/1095987167.db2.gz WPEHABSSHDWLJX-UHFFFAOYSA-N -1 0 336.304 2.936 20 30 EFEDRM O=C([O-])CCSc1ncccc1NC(=O)C#Cc1ccccc1 ZINC001602031859 1096026754 /nfs/dbraw/zinc/02/67/54/1096026754.db2.gz KOFPLIDVNWGMFE-UHFFFAOYSA-N -1 0 326.377 2.639 20 30 EFEDRM O=C([O-])CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC001602048795 1096038502 /nfs/dbraw/zinc/03/85/02/1096038502.db2.gz AVLJMHXHDWQFTH-DHZHZOJOSA-N -1 0 327.311 2.526 20 30 EFEDRM O=C([O-])COc1ccccc1/C=C\C(=O)c1cnn(C2CCC2)c1 ZINC001602095731 1096060127 /nfs/dbraw/zinc/06/01/27/1096060127.db2.gz MROAZYAXBBTYNV-HJWRWDBZSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=C1CCN(Cc2ccccc2)C1=O ZINC001602231256 1096127887 /nfs/dbraw/zinc/12/78/87/1096127887.db2.gz UYQPQWAOGWDJRN-UHFFFAOYSA-N -1 0 341.342 2.724 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)o1 ZINC001602333425 1096183417 /nfs/dbraw/zinc/18/34/17/1096183417.db2.gz ZXKFUYDDOLKRLD-UHFFFAOYSA-N -1 0 332.316 2.546 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@H]2CCN(c3ccccc3)C2)c1 ZINC001602430606 1096240914 /nfs/dbraw/zinc/24/09/14/1096240914.db2.gz NQGWVJSPRGBUDL-GOSISDBHSA-N -1 0 349.386 2.806 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cc[nH]n3)c2)c1 ZINC001602431099 1096242068 /nfs/dbraw/zinc/24/20/68/1096242068.db2.gz WBNGODUPZNNYNN-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@H]2CCOC3(CCC3)C2)c1 ZINC001602431097 1096242309 /nfs/dbraw/zinc/24/23/09/1096242309.db2.gz VZCCBJRXCALFAF-INIZCTEOSA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1ccccc1-c1ccc(C=NNc2ncnc3[nH]cnc32)o1 ZINC001602463192 1096258970 /nfs/dbraw/zinc/25/89/70/1096258970.db2.gz SOUDWRQEPKENTP-UHFFFAOYSA-N -1 0 348.322 2.757 20 30 EFEDRM O=C([O-])c1coc(C=NNc2ncnc3sc4c(c32)CCC4)c1 ZINC001602553889 1096295902 /nfs/dbraw/zinc/29/59/02/1096295902.db2.gz OOSUZCGSVFLPNM-UHFFFAOYSA-N -1 0 328.353 2.917 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC001602553813 1096295982 /nfs/dbraw/zinc/29/59/82/1096295982.db2.gz LWLPPAMNAFSEOO-AATRIKPKSA-N -1 0 327.336 2.711 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001602672408 1096344603 /nfs/dbraw/zinc/34/46/03/1096344603.db2.gz CKIHNANUPBCELE-ZFWWWQNUSA-N -1 0 334.803 2.814 20 30 EFEDRM C#C[C@H](CC)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001602671350 1096344822 /nfs/dbraw/zinc/34/48/22/1096344822.db2.gz RLKGNBLJHAUIFK-VXGBXAGGSA-N -1 0 328.290 2.699 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001602670084 1096345067 /nfs/dbraw/zinc/34/50/67/1096345067.db2.gz MSNSCAVDHGUHES-UHFFFAOYSA-N -1 0 344.289 2.859 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602671177 1096345185 /nfs/dbraw/zinc/34/51/85/1096345185.db2.gz OGGCHLVYXKWSQF-NSHDSACASA-N -1 0 340.326 2.952 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)(C)C ZINC001602674784 1096346205 /nfs/dbraw/zinc/34/62/05/1096346205.db2.gz VISZJAOXSPLWBD-BZUAXINKSA-N -1 0 328.412 2.544 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC001602674515 1096346532 /nfs/dbraw/zinc/34/65/32/1096346532.db2.gz QHPHMXSLLLFMMX-GFCCVEGCSA-N -1 0 348.152 2.845 20 30 EFEDRM C#C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC001602678075 1096347612 /nfs/dbraw/zinc/34/76/12/1096347612.db2.gz HSYYZBCLUAQPNZ-LLVKDONJSA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001602679536 1096348123 /nfs/dbraw/zinc/34/81/23/1096348123.db2.gz YEIMKHNOJBRYPS-IHRRRGAJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#CC[C@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001602685796 1096349421 /nfs/dbraw/zinc/34/94/21/1096349421.db2.gz ZNFJFQDUEHCSKL-VNKGSWCUSA-N -1 0 347.239 2.748 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001602685797 1096349856 /nfs/dbraw/zinc/34/98/56/1096349856.db2.gz ZNFJFQDUEHCSKL-YTRUQHMWSA-N -1 0 347.239 2.748 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(=C/c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001602684811 1096350057 /nfs/dbraw/zinc/35/00/57/1096350057.db2.gz GOFUKWRUAQNBRD-UWXVCKHVSA-N -1 0 349.386 2.829 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001602683311 1096350090 /nfs/dbraw/zinc/35/00/90/1096350090.db2.gz OECULYSQQWTMFT-RDTXWAMCSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001602685187 1096350191 /nfs/dbraw/zinc/35/01/91/1096350191.db2.gz OLDDOSQRGFAQJO-SFHVURJKSA-N -1 0 338.359 2.941 20 30 EFEDRM C#CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001602681177 1096350335 /nfs/dbraw/zinc/35/03/35/1096350335.db2.gz BXZRLFPUSMQDMF-GFCCVEGCSA-N -1 0 331.368 2.613 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[nH]n2)c1 ZINC001602689540 1096351201 /nfs/dbraw/zinc/35/12/01/1096351201.db2.gz HYTURAHDDQSESE-NSHDSACASA-N -1 0 342.403 2.529 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001602690734 1096351274 /nfs/dbraw/zinc/35/12/74/1096351274.db2.gz ZASNIEFKNSBFKT-ZDUSSCGKSA-N -1 0 347.378 2.753 20 30 EFEDRM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nn[nH]n2)c1 ZINC001602688777 1096351494 /nfs/dbraw/zinc/35/14/94/1096351494.db2.gz LZWIRBVGMFQSIK-INIZCTEOSA-N -1 0 332.363 2.576 20 30 EFEDRM C#CC[C@@H](NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001602691810 1096352180 /nfs/dbraw/zinc/35/21/80/1096352180.db2.gz AIKTTWHDQROHNI-MRXNPFEDSA-N -1 0 349.390 2.612 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccccc1 ZINC001602698660 1096352597 /nfs/dbraw/zinc/35/25/97/1096352597.db2.gz PPKNBEMBWHFYMR-ZDUSSCGKSA-N -1 0 349.433 2.798 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CCC1 ZINC001602699635 1096352671 /nfs/dbraw/zinc/35/26/71/1096352671.db2.gz FRXVNALBSCSQRQ-UHFFFAOYSA-N -1 0 341.816 2.571 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)C1 ZINC001602700362 1096353105 /nfs/dbraw/zinc/35/31/05/1096353105.db2.gz VZXNMJMOYBUXPB-RYUDHWBXSA-N -1 0 347.440 2.600 20 30 EFEDRM C#CCC1(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)CCCCC1 ZINC001602698795 1096353389 /nfs/dbraw/zinc/35/33/89/1096353389.db2.gz VXFFQUJFRPBMGP-GOSISDBHSA-N -1 0 328.412 2.862 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC001602699383 1096354139 /nfs/dbraw/zinc/35/41/39/1096354139.db2.gz CRCIAVGURXGCNX-LLVKDONJSA-N -1 0 326.356 2.528 20 30 EFEDRM C#CCCCCNC(=O)c1sc2ccc(-c3nn[nH]n3)cc2c1C ZINC001602711203 1096354993 /nfs/dbraw/zinc/35/49/93/1096354993.db2.gz NCQMGCKRGPTLMC-UHFFFAOYSA-N -1 0 339.424 2.923 20 30 EFEDRM C#CCCCc1nnc(N2CCC(CCC(=O)[O-])CC2)n1CC(C)C ZINC001602710184 1096355019 /nfs/dbraw/zinc/35/50/19/1096355019.db2.gz DLWKNPLIXYMSII-UHFFFAOYSA-N -1 0 346.475 2.971 20 30 EFEDRM C#CCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001602711304 1096355107 /nfs/dbraw/zinc/35/51/07/1096355107.db2.gz CPEXZYUKDFYQCN-PVARCSIZSA-N -1 0 340.423 2.962 20 30 EFEDRM C#CCCCOc1cccnc1N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602711062 1096355176 /nfs/dbraw/zinc/35/51/76/1096355176.db2.gz DAFXQOZVWDRXAN-UHFFFAOYSA-N -1 0 348.410 2.690 20 30 EFEDRM C#CCCCCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC001602710627 1096355644 /nfs/dbraw/zinc/35/56/44/1096355644.db2.gz XOKUUZCEUXRMBX-UHFFFAOYSA-N -1 0 329.429 2.939 20 30 EFEDRM C#CCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001602715353 1096356463 /nfs/dbraw/zinc/35/64/63/1096356463.db2.gz DSDDURWGNFWIGQ-LJQANCHMSA-N -1 0 348.402 2.946 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001602719413 1096356897 /nfs/dbraw/zinc/35/68/97/1096356897.db2.gz JGEBFFPTPFKXCN-UHFFFAOYSA-N -1 0 342.370 2.998 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001602725339 1096356997 /nfs/dbraw/zinc/35/69/97/1096356997.db2.gz AHAMGQAZBJJGPO-ZANVPECISA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCN(Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001602720748 1096357347 /nfs/dbraw/zinc/35/73/47/1096357347.db2.gz FPCYMCDJLZXALV-UHFFFAOYSA-N -1 0 347.374 2.669 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001602725337 1096357399 /nfs/dbraw/zinc/35/73/99/1096357399.db2.gz AHAMGQAZBJJGPO-TVQRCGJNSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001602730653 1096358477 /nfs/dbraw/zinc/35/84/77/1096358477.db2.gz XXYOSTMCGMAUOJ-UHFFFAOYSA-N -1 0 330.727 2.698 20 30 EFEDRM C#Cc1cccc(NC(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001602743829 1096359912 /nfs/dbraw/zinc/35/99/12/1096359912.db2.gz UHOAWXNQRSICIU-UHFFFAOYSA-N -1 0 339.351 2.766 20 30 EFEDRM C#Cc1ccccc1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001602743918 1096359964 /nfs/dbraw/zinc/35/99/64/1096359964.db2.gz ZDXWENFXYLXHCE-UHFFFAOYSA-N -1 0 334.331 2.919 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1cscc1Br)C(=O)[O-] ZINC001602748683 1096361581 /nfs/dbraw/zinc/36/15/81/1096361581.db2.gz GSIFUVCHMDCTBP-JTQLQIEISA-N -1 0 332.219 2.589 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001602744879 1096361633 /nfs/dbraw/zinc/36/16/33/1096361633.db2.gz POVGKGNODPFOAY-UHFFFAOYSA-N -1 0 327.178 2.977 20 30 EFEDRM C=C(Br)CNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001602745037 1096361855 /nfs/dbraw/zinc/36/18/55/1096361855.db2.gz ZAHPRLHGEHDXHM-UHFFFAOYSA-N -1 0 333.226 2.619 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001602749464 1096363031 /nfs/dbraw/zinc/36/30/31/1096363031.db2.gz FXXKRJMEMVANDC-CYBMUJFWSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001602754746 1096363046 /nfs/dbraw/zinc/36/30/46/1096363046.db2.gz SXGNUERMLOXRNM-NSHDSACASA-N -1 0 326.736 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)C(=O)[O-] ZINC001602754645 1096363342 /nfs/dbraw/zinc/36/33/42/1096363342.db2.gz PWEHUTZULSLVNJ-JTQLQIEISA-N -1 0 341.289 2.502 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001602749272 1096363854 /nfs/dbraw/zinc/36/38/54/1096363854.db2.gz RMTKIBCKMYWPQL-VIFPVBQESA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC001602757052 1096364439 /nfs/dbraw/zinc/36/44/39/1096364439.db2.gz FBWOHUMUVDFGQC-LLVKDONJSA-N -1 0 349.861 2.760 20 30 EFEDRM C=C(C)C[C@H]1NC(=O)N([C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602757750 1096364582 /nfs/dbraw/zinc/36/45/82/1096364582.db2.gz VQCUHNZUDPNRJZ-KGLIPLIRSA-N -1 0 330.384 2.725 20 30 EFEDRM C=C(C)C[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001602755492 1096364999 /nfs/dbraw/zinc/36/49/99/1096364999.db2.gz WDNSTLXOLWPXBI-MRXNPFEDSA-N -1 0 342.395 2.921 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)C(=O)[O-] ZINC001602755215 1096365104 /nfs/dbraw/zinc/36/51/04/1096365104.db2.gz LMEWQXLTMJMMDG-LLVKDONJSA-N -1 0 349.412 2.873 20 30 EFEDRM C=C(C)C[C@H]1NC(=O)N(c2cccc(SCCC(=O)[O-])c2)C1=O ZINC001602757129 1096365335 /nfs/dbraw/zinc/36/53/35/1096365335.db2.gz GXBRIPHYAQIEJD-CYBMUJFWSA-N -1 0 334.397 2.644 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001602764857 1096365745 /nfs/dbraw/zinc/36/57/45/1096365745.db2.gz USYPVNQOGRKXOT-XJKSGUPXSA-N -1 0 348.399 2.500 20 30 EFEDRM C=C(C)CNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001602762429 1096366170 /nfs/dbraw/zinc/36/61/70/1096366170.db2.gz OPKBATSDLNKCOD-UHFFFAOYSA-N -1 0 327.178 2.523 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001602762123 1096366173 /nfs/dbraw/zinc/36/61/73/1096366173.db2.gz SQPOXRPJSDUYBD-GOSISDBHSA-N -1 0 345.395 2.985 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602766356 1096366501 /nfs/dbraw/zinc/36/65/01/1096366501.db2.gz ZGGFMXBLSPWXJE-INIZCTEOSA-N -1 0 340.427 2.995 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001602761833 1096366769 /nfs/dbraw/zinc/36/67/69/1096366769.db2.gz GCBQNIOJHFGUDK-UHFFFAOYSA-N -1 0 346.339 2.961 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(OC)cc1OC)CC1CC1 ZINC001602774229 1096367348 /nfs/dbraw/zinc/36/73/48/1096367348.db2.gz CKNDUDKCZKVMBO-UHFFFAOYSA-N -1 0 347.411 2.863 20 30 EFEDRM C=C(C)Cn1c([C@H]2CC=CCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602769387 1096367357 /nfs/dbraw/zinc/36/73/57/1096367357.db2.gz WWQWQIVBJSRXEP-AWEZNQCLSA-N -1 0 330.432 2.979 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@]1(C)CCC=CO1 ZINC001602771379 1096367430 /nfs/dbraw/zinc/36/74/30/1096367430.db2.gz UGUIHJKZHLSGDE-LBTNJELSSA-N -1 0 346.431 2.550 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001602773428 1096367731 /nfs/dbraw/zinc/36/77/31/1096367731.db2.gz XPIJCGLROVMHGK-BETUJISGSA-N -1 0 340.387 2.590 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602768751 1096367838 /nfs/dbraw/zinc/36/78/38/1096367838.db2.gz MCMSKYNGLRUTEN-NPSOMJIGSA-N -1 0 330.432 2.669 20 30 EFEDRM C=C(C)Cn1c(C2CC2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001602767485 1096367843 /nfs/dbraw/zinc/36/78/43/1096367843.db2.gz AADGZDYCUZRDPB-UHFFFAOYSA-N -1 0 338.411 2.993 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001602776761 1096368499 /nfs/dbraw/zinc/36/84/99/1096368499.db2.gz XEQUTNCHEQASED-UHFFFAOYSA-N -1 0 347.415 2.539 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@](C)(CC)COc1ncccc1Cl ZINC001602778627 1096369518 /nfs/dbraw/zinc/36/95/18/1096369518.db2.gz SBHKPCRZMPFNAN-MRXNPFEDSA-N -1 0 340.807 2.820 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC001602776222 1096369561 /nfs/dbraw/zinc/36/95/61/1096369561.db2.gz NYZZZBUHGITHEL-UHFFFAOYSA-N -1 0 329.396 2.794 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001602776747 1096369639 /nfs/dbraw/zinc/36/96/39/1096369639.db2.gz WMGVFCDDSMFXIU-GFCCVEGCSA-N -1 0 334.441 2.759 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)c(OC)ccc2OC ZINC001602787765 1096371189 /nfs/dbraw/zinc/37/11/89/1096371189.db2.gz RLWFEFQEZSBNDB-UHFFFAOYSA-N -1 0 336.369 2.673 20 30 EFEDRM C=C[C@@H](C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1)c1ccccc1 ZINC001602801642 1096371644 /nfs/dbraw/zinc/37/16/44/1096371644.db2.gz RVRCQCDFRYWSBV-OXQOHEQNSA-N -1 0 343.423 2.565 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602791373 1096371963 /nfs/dbraw/zinc/37/19/63/1096371963.db2.gz MRVGMRKLVAYXNA-LBPRGKRZSA-N -1 0 340.855 2.920 20 30 EFEDRM C=C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1)c1ccccc1 ZINC001602802137 1096372946 /nfs/dbraw/zinc/37/29/46/1096372946.db2.gz WYURMFJJYBFHNI-RHSMWYFYSA-N -1 0 341.363 2.613 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)c(C)o1 ZINC000796814312 1096373166 /nfs/dbraw/zinc/37/31/66/1096373166.db2.gz QFMBQQNSQZTINV-OAHLLOKOSA-N -1 0 346.408 2.789 20 30 EFEDRM C=C[C@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602826445 1096377105 /nfs/dbraw/zinc/37/71/05/1096377105.db2.gz BHNHLKBJRJRELA-ZDUSSCGKSA-N -1 0 335.356 2.759 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccccn2)n1Cc1ccco1)C(=O)[O-] ZINC001602829025 1096379094 /nfs/dbraw/zinc/37/90/94/1096379094.db2.gz UYWZRUYUXGEHAS-ZDUSSCGKSA-N -1 0 342.380 2.713 20 30 EFEDRM C=CC[C@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001602829691 1096379512 /nfs/dbraw/zinc/37/95/12/1096379512.db2.gz UZPCWWVOISIJFU-LSDHHAIUSA-N -1 0 330.409 2.615 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccccn2)n1Cc1ccco1)C(=O)[O-] ZINC001602829023 1096380156 /nfs/dbraw/zinc/38/01/56/1096380156.db2.gz UYWZRUYUXGEHAS-CYBMUJFWSA-N -1 0 342.380 2.713 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC ZINC001602837335 1096381840 /nfs/dbraw/zinc/38/18/40/1096381840.db2.gz NATNNYSHGQVAAL-CYBMUJFWSA-N -1 0 336.388 2.886 20 30 EFEDRM C=CC[C@@H](OC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC001602845912 1096383109 /nfs/dbraw/zinc/38/31/09/1096383109.db2.gz YYGJWGABCJLJLU-OAHLLOKOSA-N -1 0 336.359 2.738 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)C(=O)[O-] ZINC001602845136 1096383295 /nfs/dbraw/zinc/38/32/95/1096383295.db2.gz KSAHVRFWIDDONT-AAEUAGOBSA-N -1 0 329.755 2.654 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001602851465 1096384095 /nfs/dbraw/zinc/38/40/95/1096384095.db2.gz MWDGWTVYTHZWJW-UHFFFAOYSA-N -1 0 343.383 2.801 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(N2CCCC2=O)ccc1Cl)C(=O)[O-] ZINC001602848808 1096384138 /nfs/dbraw/zinc/38/41/38/1096384138.db2.gz GCYDVUKTCZXXLC-CYBMUJFWSA-N -1 0 337.759 2.653 20 30 EFEDRM C=CCC1(NC(=O)Nc2cccc(CCC(=O)[O-])c2)CCOCC1 ZINC001602851177 1096384190 /nfs/dbraw/zinc/38/41/90/1096384190.db2.gz CAUOMNBQOKLWGG-UHFFFAOYSA-N -1 0 332.400 2.951 20 30 EFEDRM C=CC[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)[O-] ZINC001602850066 1096384894 /nfs/dbraw/zinc/38/48/94/1096384894.db2.gz SMHYKASQNZGGJY-GFCCVEGCSA-N -1 0 342.380 2.643 20 30 EFEDRM C=CC[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)[O-] ZINC001602850069 1096384979 /nfs/dbraw/zinc/38/49/79/1096384979.db2.gz SMHYKASQNZGGJY-LBPRGKRZSA-N -1 0 342.380 2.643 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001602855995 1096385517 /nfs/dbraw/zinc/38/55/17/1096385517.db2.gz MMCIKZAKTLSAJT-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001602855978 1096386253 /nfs/dbraw/zinc/38/62/53/1096386253.db2.gz LNVAUHZOYPPBKW-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001602855824 1096386323 /nfs/dbraw/zinc/38/63/23/1096386323.db2.gz DNNAQYAXUBRXPZ-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001602857740 1096387157 /nfs/dbraw/zinc/38/71/57/1096387157.db2.gz WYQFPDLLBWNLSX-HNNXBMFYSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602860616 1096387523 /nfs/dbraw/zinc/38/75/23/1096387523.db2.gz JKEOSKYCJNCVFG-NSHDSACASA-N -1 0 343.383 2.666 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001602856779 1096387676 /nfs/dbraw/zinc/38/76/76/1096387676.db2.gz IIAMWQNSZQUYDG-CYBMUJFWSA-N -1 0 346.427 2.749 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001602857540 1096388078 /nfs/dbraw/zinc/38/80/78/1096388078.db2.gz TTYROBBREMNMOK-CYBMUJFWSA-N -1 0 339.775 2.666 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)CCCC1 ZINC001602860665 1096388270 /nfs/dbraw/zinc/38/82/70/1096388270.db2.gz LGXXXRNAGZKRPZ-UHFFFAOYSA-N -1 0 340.445 2.528 20 30 EFEDRM C=CCCC[C@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860580 1096388331 /nfs/dbraw/zinc/38/83/31/1096388331.db2.gz IFSRJRACBNUUHN-ROUUACIJSA-N -1 0 344.455 2.601 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSc1nc2ccccc2o1)C(=O)[O-] ZINC001602866140 1096389327 /nfs/dbraw/zinc/38/93/27/1096389327.db2.gz YJHXDYFVRNOLQV-GFCCVEGCSA-N -1 0 334.397 2.846 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001602860954 1096389881 /nfs/dbraw/zinc/38/98/81/1096389881.db2.gz VDYLSONXLMGFIJ-VIFPVBQESA-N -1 0 333.793 2.751 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccccc2OC)on1)C(=O)[O-] ZINC001602869724 1096390079 /nfs/dbraw/zinc/39/00/79/1096390079.db2.gz FCZTVMLXLSNRGA-CYBMUJFWSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001602871438 1096390160 /nfs/dbraw/zinc/39/01/60/1096390160.db2.gz YGIWKFKSIZDXTL-UHFFFAOYSA-N -1 0 329.393 2.939 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)[O-] ZINC001602870271 1096390204 /nfs/dbraw/zinc/39/02/04/1096390204.db2.gz GABOWLXADGCXOQ-INIZCTEOSA-N -1 0 343.358 2.822 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc2onc(C(C)C)c2c1)C(=O)[O-] ZINC001602873094 1096390235 /nfs/dbraw/zinc/39/02/35/1096390235.db2.gz QWTGJVNWMQVYTB-CYBMUJFWSA-N -1 0 331.372 2.886 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc2onc(C(C)C)c2c1)C(=O)[O-] ZINC001602873096 1096390238 /nfs/dbraw/zinc/39/02/38/1096390238.db2.gz QWTGJVNWMQVYTB-ZDUSSCGKSA-N -1 0 331.372 2.886 20 30 EFEDRM C=CCCCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001602874894 1096390783 /nfs/dbraw/zinc/39/07/83/1096390783.db2.gz IMQSUCMYGILKRK-CQSZACIVSA-N -1 0 331.416 2.571 20 30 EFEDRM C=CCCSCCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001602881126 1096391555 /nfs/dbraw/zinc/39/15/55/1096391555.db2.gz SVJKYLQYOUWYRF-ZDUSSCGKSA-N -1 0 328.478 2.828 20 30 EFEDRM C=CCCOCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001602881115 1096391575 /nfs/dbraw/zinc/39/15/75/1096391575.db2.gz SMEGIZMRLQPHAW-UHFFFAOYSA-N -1 0 330.743 2.892 20 30 EFEDRM C=CCN(CCc1ccco1)[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001602893729 1096393413 /nfs/dbraw/zinc/39/34/13/1096393413.db2.gz JHLDGMZHFLLABM-QGZVFWFLSA-N -1 0 343.379 2.923 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001602894149 1096393951 /nfs/dbraw/zinc/39/39/51/1096393951.db2.gz WAVZZMZOVKPTDG-UHFFFAOYSA-N -1 0 334.416 2.894 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccccc2OC(F)F)C(C(=O)[O-])=C1C ZINC001602898170 1096394098 /nfs/dbraw/zinc/39/40/98/1096394098.db2.gz LLGUZDNCNZKXBB-ZDUSSCGKSA-N -1 0 338.310 2.899 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001602904587 1096395092 /nfs/dbraw/zinc/39/50/92/1096395092.db2.gz GQAGKQZQWPPWPW-CYBMUJFWSA-N -1 0 332.381 2.594 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC001602904663 1096395185 /nfs/dbraw/zinc/39/51/85/1096395185.db2.gz IGDPTDBAAWWILN-AWEZNQCLSA-N -1 0 343.408 2.565 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@@H]1C[C@H](C)c2c1cccc2C)C(=O)[O-] ZINC001602910269 1096397019 /nfs/dbraw/zinc/39/70/19/1096397019.db2.gz SVJAPKYIWRFQPJ-DZKIICNBSA-N -1 0 331.412 2.748 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)C1 ZINC001602906279 1096397824 /nfs/dbraw/zinc/39/78/24/1096397824.db2.gz CUKHGCAJPBOYEM-ZDUSSCGKSA-N -1 0 334.372 2.592 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC001602914991 1096400286 /nfs/dbraw/zinc/40/02/86/1096400286.db2.gz NKQRHXMICWGKBK-AWEZNQCLSA-N -1 0 349.383 2.940 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001602924919 1096400974 /nfs/dbraw/zinc/40/09/74/1096400974.db2.gz KUQIXUZPAWMVJA-UHFFFAOYSA-N -1 0 342.351 2.996 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001602921676 1096401036 /nfs/dbraw/zinc/40/10/36/1096401036.db2.gz KOZRKIMFYBYNET-UHFFFAOYSA-N -1 0 344.367 2.850 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001602921611 1096401278 /nfs/dbraw/zinc/40/12/78/1096401278.db2.gz FJKUHPOCPBKUSX-UHFFFAOYSA-N -1 0 330.340 2.542 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](OC)C1CCC1 ZINC001602926209 1096401311 /nfs/dbraw/zinc/40/13/11/1096401311.db2.gz VQSWTHCUTIYYKT-MRXNPFEDSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001602925827 1096401483 /nfs/dbraw/zinc/40/14/83/1096401483.db2.gz BESGDOVRTBZUAK-FZMZJTMJSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCOc1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001602921664 1096401521 /nfs/dbraw/zinc/40/15/21/1096401521.db2.gz JFZPNHIBSLUIFJ-UHFFFAOYSA-N -1 0 329.396 2.903 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccnc1OC ZINC001602926899 1096402015 /nfs/dbraw/zinc/40/20/15/1096402015.db2.gz PUTZCMURUTZZOI-UHFFFAOYSA-N -1 0 343.335 2.745 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001602926769 1096402026 /nfs/dbraw/zinc/40/20/26/1096402026.db2.gz MNMYEBBXUHWPRM-TZMCWYRMSA-N -1 0 342.388 2.906 20 30 EFEDRM C=CCn1c(-c2cccnc2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602929726 1096402057 /nfs/dbraw/zinc/40/20/57/1096402057.db2.gz ABHVHADEQRYIKF-UHFFFAOYSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCn1c(CCC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001602935335 1096402097 /nfs/dbraw/zinc/40/20/97/1096402097.db2.gz HGGRDQHHFOSITI-UONOGXRCSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602930087 1096402715 /nfs/dbraw/zinc/40/27/15/1096402715.db2.gz LEXGIYKKGGNSIX-UHFFFAOYSA-N -1 0 340.427 2.995 20 30 EFEDRM C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602931790 1096402897 /nfs/dbraw/zinc/40/28/97/1096402897.db2.gz BUPZZARTIUYIHW-UONOGXRCSA-N -1 0 332.448 2.600 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602930224 1096402943 /nfs/dbraw/zinc/40/29/43/1096402943.db2.gz QEUFXNJKMFINDH-QGZVFWFLSA-N -1 0 330.363 2.571 20 30 EFEDRM C=CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602935357 1096403421 /nfs/dbraw/zinc/40/34/21/1096403421.db2.gz IGAWDHYBNDBRAW-INIZCTEOSA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C12CCC(CC1)CC2 ZINC001602936839 1096403533 /nfs/dbraw/zinc/40/35/33/1096403533.db2.gz GHTKEDSBMWYICV-TXKKKEFDSA-N -1 0 330.432 2.597 20 30 EFEDRM C=CCn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001602937253 1096403858 /nfs/dbraw/zinc/40/38/58/1096403858.db2.gz SFZFPBYLTPEGDE-AWEZNQCLSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001602942192 1096403913 /nfs/dbraw/zinc/40/39/13/1096403913.db2.gz UAIAXLGSXFINDR-UFBFGSQYSA-N -1 0 326.736 2.949 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)cc2n1 ZINC001602940951 1096404018 /nfs/dbraw/zinc/40/40/18/1096404018.db2.gz UVPKEBWLPGZPIU-CYBMUJFWSA-N -1 0 326.356 2.517 20 30 EFEDRM C=CCn1c(SC[C@@H](F)C(=O)[O-])nnc1-c1ccccc1F ZINC001602937564 1096404312 /nfs/dbraw/zinc/40/43/12/1096404312.db2.gz ZZSLYZMEYOIZHE-LLVKDONJSA-N -1 0 325.340 2.785 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccccc1 ZINC001602937267 1096404333 /nfs/dbraw/zinc/40/43/33/1096404333.db2.gz SUDVUVQFRIUDHE-UHFFFAOYSA-N -1 0 331.397 2.657 20 30 EFEDRM CC#CCCCC(=O)NC[C@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC001602947350 1096404881 /nfs/dbraw/zinc/40/48/81/1096404881.db2.gz VYGMKGJGKZKGIW-INIZCTEOSA-N -1 0 331.412 2.638 20 30 EFEDRM CC#CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001602946723 1096405300 /nfs/dbraw/zinc/40/53/00/1096405300.db2.gz DOQKOMCPLUMKQB-CQSZACIVSA-N -1 0 338.201 2.885 20 30 EFEDRM CC#CCCCC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001602947185 1096405438 /nfs/dbraw/zinc/40/54/38/1096405438.db2.gz QNCAEDGCWSARJT-UHFFFAOYSA-N -1 0 338.201 2.957 20 30 EFEDRM C/C(=C\C(=O)[O-])COc1cc(C#N)ccc1I ZINC001602957080 1096406470 /nfs/dbraw/zinc/40/64/70/1096406470.db2.gz DKNFTTSDTJOEHU-XBXARRHUSA-N -1 0 343.120 2.573 20 30 EFEDRM C/C(=C/C(=O)[O-])COc1cc(C#N)ccc1I ZINC001602957082 1096406581 /nfs/dbraw/zinc/40/65/81/1096406581.db2.gz DKNFTTSDTJOEHU-YWEYNIOJSA-N -1 0 343.120 2.573 20 30 EFEDRM CC(=O)Nc1cccc2c1CN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001603082101 1096437374 /nfs/dbraw/zinc/43/73/74/1096437374.db2.gz DOWZXZUAFBSWMW-UHFFFAOYSA-N -1 0 349.390 2.773 20 30 EFEDRM C[C@@](C#N)(NC(=O)CNc1cc2ccccc2cc1C(=O)[O-])C1CC1 ZINC001603127285 1096452686 /nfs/dbraw/zinc/45/26/86/1096452686.db2.gz WGMUSIHZUNTANB-IBGZPJMESA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001603132319 1096454379 /nfs/dbraw/zinc/45/43/79/1096454379.db2.gz WZLZQUAIVFUBEM-FRRDWIJNSA-N -1 0 331.372 2.742 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001603132099 1096454745 /nfs/dbraw/zinc/45/47/45/1096454745.db2.gz RFEHXFXEYSVTID-SECBINFHSA-N -1 0 331.353 2.877 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001603132199 1096454764 /nfs/dbraw/zinc/45/47/64/1096454764.db2.gz TWGHDCUDJJJWLL-LBPRGKRZSA-N -1 0 331.372 2.886 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001603132276 1096455322 /nfs/dbraw/zinc/45/53/22/1096455322.db2.gz WDEULQNJVBMJTQ-DVBBHNHCSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CC(=O)[O-])CC1 ZINC001603174385 1096465798 /nfs/dbraw/zinc/46/57/98/1096465798.db2.gz FNVAFUGLWWHFDI-LLVKDONJSA-N -1 0 349.818 2.725 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC001603230310 1096478997 /nfs/dbraw/zinc/47/89/97/1096478997.db2.gz JFZSJQJUMMIZRN-UHFFFAOYSA-N -1 0 329.381 2.824 20 30 EFEDRM CC(C)(C#N)CNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603230217 1096479542 /nfs/dbraw/zinc/47/95/42/1096479542.db2.gz HFJGZMYHNMXYCX-LLVKDONJSA-N -1 0 343.305 2.837 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC001603247364 1096484486 /nfs/dbraw/zinc/48/44/86/1096484486.db2.gz QWNUSUZBXQWTND-OAHLLOKOSA-N -1 0 338.367 2.927 20 30 EFEDRM CC(C)CC[C@@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603278514 1096493119 /nfs/dbraw/zinc/49/31/19/1096493119.db2.gz QPJKXXVTZFMUPP-NWDGAFQWSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(CN(CC#N)CCC(=O)[O-])cc1 ZINC001603490956 1096536832 /nfs/dbraw/zinc/53/68/32/1096536832.db2.gz BNCZOJBVSXPCBN-UHFFFAOYSA-N -1 0 333.388 2.834 20 30 EFEDRM CC(C)(CNC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001603639502 1096574309 /nfs/dbraw/zinc/57/43/09/1096574309.db2.gz HCWYPWOLVFOBON-UHFFFAOYSA-N -1 0 327.384 2.786 20 30 EFEDRM CC(C)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)C(=O)OC(C)(C)C ZINC001603723243 1096601544 /nfs/dbraw/zinc/60/15/44/1096601544.db2.gz SIGRCERUUBIUGZ-NSHDSACASA-N -1 0 333.388 2.677 20 30 EFEDRM CC(C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)C(=O)OC(C)(C)C ZINC001603723241 1096601585 /nfs/dbraw/zinc/60/15/85/1096601585.db2.gz SIGRCERUUBIUGZ-LLVKDONJSA-N -1 0 333.388 2.677 20 30 EFEDRM CC(C)[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001603732501 1096607831 /nfs/dbraw/zinc/60/78/31/1096607831.db2.gz UUQNJFFINCUZJZ-OAHLLOKOSA-N -1 0 329.400 2.784 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001603743682 1096611066 /nfs/dbraw/zinc/61/10/66/1096611066.db2.gz LCKKWDZLBFEOLV-GOSISDBHSA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001603744933 1096612291 /nfs/dbraw/zinc/61/22/91/1096612291.db2.gz WUXMKJCNIOKXKK-MRXNPFEDSA-N -1 0 332.400 2.579 20 30 EFEDRM CC(C)[C@H]1C[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001603750633 1096613146 /nfs/dbraw/zinc/61/31/46/1096613146.db2.gz RABPOCNSUMKFKN-BLLLJJGKSA-N -1 0 331.368 2.751 20 30 EFEDRM CC(C)[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001603750158 1096613422 /nfs/dbraw/zinc/61/34/22/1096613422.db2.gz FEZVBDHZYKQQIC-OWCLPIDISA-N -1 0 331.368 2.678 20 30 EFEDRM CC(C)Cn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001603858279 1096646572 /nfs/dbraw/zinc/64/65/72/1096646572.db2.gz LDJRVKMACHLSAV-SFHVURJKSA-N -1 0 347.463 2.816 20 30 EFEDRM CC(C)Cn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001603859300 1096646839 /nfs/dbraw/zinc/64/68/39/1096646839.db2.gz WQDWMSVVBVPZPC-UGSOOPFHSA-N -1 0 347.463 2.672 20 30 EFEDRM C[C@H]1CCCc2ccccc2[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603899175 1096664052 /nfs/dbraw/zinc/66/40/52/1096664052.db2.gz LVFDNHHMIMOLGE-MEDUHNTESA-N -1 0 346.398 2.654 20 30 EFEDRM CC(C)Oc1c(NC(=O)N2CC[C@](F)(C#N)C2)cccc1C(=O)[O-] ZINC001603931964 1096672041 /nfs/dbraw/zinc/67/20/41/1096672041.db2.gz DTYXWCWZOALKRQ-INIZCTEOSA-N -1 0 335.335 2.641 20 30 EFEDRM CC(C)Oc1c(NC(=O)N2CC[C@@](F)(C#N)C2)cccc1C(=O)[O-] ZINC001603931965 1096672377 /nfs/dbraw/zinc/67/23/77/1096672377.db2.gz DTYXWCWZOALKRQ-MRXNPFEDSA-N -1 0 335.335 2.641 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001603935688 1096673952 /nfs/dbraw/zinc/67/39/52/1096673952.db2.gz UYGMNCGYSVFHPD-DGCLKSJQSA-N -1 0 331.372 2.672 20 30 EFEDRM CCC(C)(C)C1CCC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001603983433 1096687520 /nfs/dbraw/zinc/68/75/20/1096687520.db2.gz PCTJPVBXISNUKO-UHFFFAOYSA-N -1 0 340.435 2.935 20 30 EFEDRM CC[C@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001604014586 1096697714 /nfs/dbraw/zinc/69/77/14/1096697714.db2.gz WXUXYIXOXQIOQT-CYBMUJFWSA-N -1 0 331.351 2.519 20 30 EFEDRM C[C@H](CC#N)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604061516 1096715375 /nfs/dbraw/zinc/71/53/75/1096715375.db2.gz UDUBHICVYFNNOO-LDYMZIIASA-N -1 0 329.278 2.590 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccn1 ZINC001604077598 1096723180 /nfs/dbraw/zinc/72/31/80/1096723180.db2.gz LJHXLYPGPOWYSA-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1ccccn1 ZINC001604082506 1096724888 /nfs/dbraw/zinc/72/48/88/1096724888.db2.gz NEEFCXXECWQDEI-HNNXBMFYSA-N -1 0 330.369 2.526 20 30 EFEDRM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(=O)[O-])nc1C#N ZINC001604131202 1096746367 /nfs/dbraw/zinc/74/63/67/1096746367.db2.gz GIICRHCYFVMKCV-MGPLVRAMSA-N -1 0 329.331 2.715 20 30 EFEDRM C[C@H](CCc1ccccc1F)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001604148805 1096752458 /nfs/dbraw/zinc/75/24/58/1096752458.db2.gz NMRLZUYXJNRVMN-CYBMUJFWSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001604217843 1096775542 /nfs/dbraw/zinc/77/55/42/1096775542.db2.gz QSPNTQVIYUYVQE-CQSZACIVSA-N -1 0 336.391 2.680 20 30 EFEDRM CCCSCC(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001604234899 1096781623 /nfs/dbraw/zinc/78/16/23/1096781623.db2.gz AJNDTRHJSAJGDZ-UHFFFAOYSA-N -1 0 337.453 2.984 20 30 EFEDRM C[C@@H](NC(=O)C#Cc1cccs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604255609 1096787175 /nfs/dbraw/zinc/78/71/75/1096787175.db2.gz IXNCLBJKBWSZDB-CZUORRHYSA-N -1 0 327.405 2.548 20 30 EFEDRM C[C@](NC(=O)[C@H](C#N)CCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001604263377 1096788862 /nfs/dbraw/zinc/78/88/62/1096788862.db2.gz TVBHBCLYVCQLHN-OXJNMPFZSA-N -1 0 336.391 2.875 20 30 EFEDRM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001604265952 1096789952 /nfs/dbraw/zinc/78/99/52/1096789952.db2.gz WPROYEKCZPUNBP-SNVBAGLBSA-N -1 0 341.392 2.622 20 30 EFEDRM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001604294368 1096798169 /nfs/dbraw/zinc/79/81/69/1096798169.db2.gz AJBXJFKKEXMTAE-SSDOTTSWSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001604294369 1096798813 /nfs/dbraw/zinc/79/88/13/1096798813.db2.gz AJBXJFKKEXMTAE-ZETCQYMHSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC001604307266 1096801238 /nfs/dbraw/zinc/80/12/38/1096801238.db2.gz MYKGPMFXSRJWRA-SNVBAGLBSA-N -1 0 330.365 2.574 20 30 EFEDRM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC001604318706 1096804711 /nfs/dbraw/zinc/80/47/11/1096804711.db2.gz KWBSQBIUJGHYIW-ZWNOBZJWSA-N -1 0 328.372 2.715 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001604426925 1096849894 /nfs/dbraw/zinc/84/98/94/1096849894.db2.gz KLWRZAKKZVWXSG-QMTHXVAHSA-N -1 0 331.349 2.756 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-] ZINC001604453732 1096862263 /nfs/dbraw/zinc/86/22/63/1096862263.db2.gz DOELWYMOCLKGFH-GZMMTYOYSA-N -1 0 346.330 2.826 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604467275 1096869361 /nfs/dbraw/zinc/86/93/61/1096869361.db2.gz IGXFJKTWBYVBOB-JCGSOOFXSA-N -1 0 341.411 2.760 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001604466813 1096869935 /nfs/dbraw/zinc/86/99/35/1096869935.db2.gz DELJOMZPNRUOOE-ZENOOKHLSA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001604477522 1096873040 /nfs/dbraw/zinc/87/30/40/1096873040.db2.gz OEUNIYRVJMCGHG-LBPRGKRZSA-N -1 0 341.367 2.849 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC001604482081 1096876616 /nfs/dbraw/zinc/87/66/16/1096876616.db2.gz FUMZTBHOTPDZCD-RDTXWAMCSA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001604496683 1096880642 /nfs/dbraw/zinc/88/06/42/1096880642.db2.gz QNJIONXDXDQHNX-SFHVURJKSA-N -1 0 338.367 2.832 20 30 EFEDRM CC1(C)CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@@H]1C#N ZINC001604536385 1096898575 /nfs/dbraw/zinc/89/85/75/1096898575.db2.gz ZCTBAFVHJAXAIE-MRXNPFEDSA-N -1 0 339.395 2.880 20 30 EFEDRM C[C@@H]1C(=O)CC[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001604621430 1096915678 /nfs/dbraw/zinc/91/56/78/1096915678.db2.gz VTXZZWZSTOHUFF-IAQYHMDHSA-N -1 0 343.379 2.941 20 30 EFEDRM C[C@@H]1C(=O)CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001604621426 1096916064 /nfs/dbraw/zinc/91/60/64/1096916064.db2.gz VTXZZWZSTOHUFF-ABAIWWIYSA-N -1 0 343.379 2.941 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@H]1C ZINC001604767315 1096951933 /nfs/dbraw/zinc/95/19/33/1096951933.db2.gz SXLGHEXCWBKYBL-DMWPJOQESA-N -1 0 348.424 2.876 20 30 EFEDRM C[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785625 1096953453 /nfs/dbraw/zinc/95/34/53/1096953453.db2.gz GMJYVIJXTKNGIP-OXJNMPFZSA-N -1 0 349.434 2.890 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001604961391 1096988280 /nfs/dbraw/zinc/98/82/80/1096988280.db2.gz LPMKHDJMBLDOSF-MRXNPFEDSA-N -1 0 345.443 2.735 20 30 EFEDRM CC[C@@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001604980590 1096992520 /nfs/dbraw/zinc/99/25/20/1096992520.db2.gz JJWROGKZOYBYAI-AWEZNQCLSA-N -1 0 344.411 2.796 20 30 EFEDRM COCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1CCCC1 ZINC001605036080 1097007933 /nfs/dbraw/zinc/00/79/33/1097007933.db2.gz AMBRVJWUCAATFQ-UHFFFAOYSA-N -1 0 347.423 2.757 20 30 EFEDRM CC[C@](CNC(=O)c1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605038549 1097008230 /nfs/dbraw/zinc/00/82/30/1097008230.db2.gz ZZZSBEKLQLIRMV-LJQANCHMSA-N -1 0 340.354 2.860 20 30 EFEDRM CC[C@@](CNC(=O)c1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001605038909 1097008355 /nfs/dbraw/zinc/00/83/55/1097008355.db2.gz BTMFLTDWZJUWSU-IBGZPJMESA-N -1 0 340.354 2.860 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)c(Cl)n1)(C(=O)[O-])c1ccccc1 ZINC001605084214 1097018412 /nfs/dbraw/zinc/01/84/12/1097018412.db2.gz PNIZJIYPXPCZNH-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(C#N)cn1C ZINC001605126100 1097027216 /nfs/dbraw/zinc/02/72/16/1097027216.db2.gz FTNMUECQFKGKBB-OAHLLOKOSA-N -1 0 325.368 2.575 20 30 EFEDRM CCC[C@H](C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001605191771 1097047472 /nfs/dbraw/zinc/04/74/72/1097047472.db2.gz FPCWCNKTGRJZPJ-LLVKDONJSA-N -1 0 325.162 2.569 20 30 EFEDRM CCC[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001605225854 1097060295 /nfs/dbraw/zinc/06/02/95/1097060295.db2.gz WLWRJQFZKVEYEH-BZUAXINKSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001605251293 1097068955 /nfs/dbraw/zinc/06/89/55/1097068955.db2.gz PYBDQPFWVOEFRA-LLVKDONJSA-N -1 0 327.406 2.680 20 30 EFEDRM CCCCCCN(O)C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001605267568 1097074590 /nfs/dbraw/zinc/07/45/90/1097074590.db2.gz OPIBRRCZHOHMOM-UHFFFAOYSA-N -1 0 331.372 2.982 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605267521 1097074768 /nfs/dbraw/zinc/07/47/68/1097074768.db2.gz XTROXBJYBSIYAH-HOCLYGCPSA-N -1 0 342.480 2.850 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605267520 1097075160 /nfs/dbraw/zinc/07/51/60/1097075160.db2.gz XTROXBJYBSIYAH-GOEBONIOSA-N -1 0 342.480 2.850 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001605307420 1097090344 /nfs/dbraw/zinc/09/03/44/1097090344.db2.gz MADZDQHDRBNHRH-UHFFFAOYSA-N -1 0 327.384 2.882 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001605334318 1097100010 /nfs/dbraw/zinc/10/00/10/1097100010.db2.gz WXMXDWHLQQCAPO-UONOGXRCSA-N -1 0 345.399 2.589 20 30 EFEDRM COc1ccsc1C(=O)C=Cc1ccc(-c2nn[nH]n2)cc1F ZINC001605338538 1097101118 /nfs/dbraw/zinc/10/11/18/1097101118.db2.gz WZIDHZBRJTZYMW-SNAWJCMRSA-N -1 0 330.344 2.972 20 30 EFEDRM CCCc1c(C(=O)Nc2ccc(F)c(C#N)c2N)[nH]c(C)c1C(=O)[O-] ZINC001605370465 1097107131 /nfs/dbraw/zinc/10/71/31/1097107131.db2.gz FFUUNWATTMFIDB-UHFFFAOYSA-N -1 0 344.346 2.819 20 30 EFEDRM CCOC(=O)c1cc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC001605565720 1097160559 /nfs/dbraw/zinc/16/05/59/1097160559.db2.gz OSSJIZVQFUMDGZ-UHFFFAOYSA-N -1 0 337.719 2.649 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)c2ccc(C(=O)[O-])o2)c(C#N)c1C ZINC001605585195 1097163240 /nfs/dbraw/zinc/16/32/40/1097163240.db2.gz GXIBKASKUASJRX-UHFFFAOYSA-N -1 0 348.336 2.648 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001605657078 1097181595 /nfs/dbraw/zinc/18/15/95/1097181595.db2.gz MVYSYLORALSKCE-UHFFFAOYSA-N -1 0 346.726 2.923 20 30 EFEDRM CCOc1ccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)c(C)c1 ZINC001605685831 1097195424 /nfs/dbraw/zinc/19/54/24/1097195424.db2.gz WGTHRSYWOBWYHI-LCYFTJDESA-N -1 0 326.352 2.958 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2ccc(OCC#N)cc2)c(C)c1C(=O)[O-] ZINC001605771104 1097221192 /nfs/dbraw/zinc/22/11/92/1097221192.db2.gz VDZXDCHZMNSRMC-UHFFFAOYSA-N -1 0 327.340 2.738 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001605804970 1097232439 /nfs/dbraw/zinc/23/24/39/1097232439.db2.gz YRZQLYGDKIJYTJ-OAQYLSRUSA-N -1 0 335.403 2.759 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605804543 1097232787 /nfs/dbraw/zinc/23/27/87/1097232787.db2.gz ODRKATHLHZYYSA-HXUWFJFHSA-N -1 0 339.366 2.856 20 30 EFEDRM CCc1ccc(C#CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC001605804100 1097233093 /nfs/dbraw/zinc/23/30/93/1097233093.db2.gz HEUAHLZPAIKYHP-IBGZPJMESA-N -1 0 333.387 2.639 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC001605807972 1097234076 /nfs/dbraw/zinc/23/40/76/1097234076.db2.gz ZDXQIYAQYNUFSX-HNNXBMFYSA-N -1 0 341.363 2.638 20 30 EFEDRM CCc1ccc(NCC(=O)NC2(C#N)CCCCC2)c(C(=O)[O-])c1 ZINC001605822230 1097238087 /nfs/dbraw/zinc/23/80/87/1097238087.db2.gz UYSMQRSDLDMDQN-UHFFFAOYSA-N -1 0 329.400 2.702 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001605827162 1097240885 /nfs/dbraw/zinc/24/08/85/1097240885.db2.gz NVZAQDHUPONZCP-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM CCc1nn(Cc2ccc(C(=O)[O-])c(Cl)c2)c(=O)c(C#N)c1CC ZINC001605867708 1097258878 /nfs/dbraw/zinc/25/88/78/1097258878.db2.gz DHMUTWOVJPNNFQ-UHFFFAOYSA-N -1 0 345.786 2.640 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001605934338 1097279778 /nfs/dbraw/zinc/27/97/78/1097279778.db2.gz HCAPNVARKLEQTN-UHFFFAOYSA-N -1 0 340.379 2.933 20 30 EFEDRM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC001605938515 1097281318 /nfs/dbraw/zinc/28/13/18/1097281318.db2.gz RUSFLEKWSUZTHZ-CYBMUJFWSA-N -1 0 346.394 2.864 20 30 EFEDRM CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001605952622 1097285298 /nfs/dbraw/zinc/28/52/98/1097285298.db2.gz ZXZIEELZSDBVCZ-KQPPXVQYSA-N -1 0 341.338 2.692 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[C@H]1C#N ZINC001605977901 1097290655 /nfs/dbraw/zinc/29/06/55/1097290655.db2.gz VXCHQSMZNIIHDX-NHYWBVRUSA-N -1 0 325.368 2.559 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC001606001823 1097295210 /nfs/dbraw/zinc/29/52/10/1097295210.db2.gz XCBKSAZRCDAJPI-JTQLQIEISA-N -1 0 344.787 2.775 20 30 EFEDRM COC(=O)[C@H](Sc1ccncc1C#N)c1cccc(C(=O)[O-])c1 ZINC001606342655 1097388818 /nfs/dbraw/zinc/38/88/18/1097388818.db2.gz UYYRJYXSHXJNGX-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccc(CNc2cc(F)c(C(=O)[O-])c(F)c2)c1C#N ZINC001606616768 1097429723 /nfs/dbraw/zinc/42/97/23/1097429723.db2.gz QKPNOHHLCFPLQL-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COCC(N=Nc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC001606772157 1097453637 /nfs/dbraw/zinc/45/36/37/1097453637.db2.gz PPUXFLVRZIIHJX-UHFFFAOYSA-N -1 0 327.178 2.972 20 30 EFEDRM COC(=O)c1cccc(NN=Cc2cccn2[C@H](C)C(=O)[O-])c1C ZINC001606618249 1097430850 /nfs/dbraw/zinc/43/08/50/1097430850.db2.gz POOSXJXFGOKUAG-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM COCCCOc1cccc(CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001606877087 1097465459 /nfs/dbraw/zinc/46/54/59/1097465459.db2.gz WGXGFVCTJOLGOB-UHFFFAOYSA-N -1 0 341.367 2.679 20 30 EFEDRM COCCOCc1cc(C#N)ccc1NCc1cc(C(=O)[O-])c(C)o1 ZINC001606906583 1097469553 /nfs/dbraw/zinc/46/95/53/1097469553.db2.gz NHFFELLMPJEDRH-UHFFFAOYSA-N -1 0 344.367 2.933 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1OC ZINC001606910839 1097470546 /nfs/dbraw/zinc/47/05/46/1097470546.db2.gz SJIWCPAUFFTMAR-SNAWJCMRSA-N -1 0 346.335 2.908 20 30 EFEDRM COCc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)cc(C(=O)[O-])c1 ZINC001606967059 1097483937 /nfs/dbraw/zinc/48/39/37/1097483937.db2.gz QCWBDVAWZICQLN-QGZVFWFLSA-N -1 0 331.372 2.689 20 30 EFEDRM CON=Cc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001606996209 1097492463 /nfs/dbraw/zinc/49/24/63/1097492463.db2.gz MMWHODWMPPMBSC-UHFFFAOYSA-N -1 0 338.319 2.594 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001607065578 1097503930 /nfs/dbraw/zinc/50/39/30/1097503930.db2.gz UPCJLXPNXWCTHY-AWEZNQCLSA-N -1 0 336.347 2.786 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607065396 1097504349 /nfs/dbraw/zinc/50/43/49/1097504349.db2.gz VKUPMRYQCMJLFJ-FZKQIMNGSA-N -1 0 343.383 2.676 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2c(F)cc(C#N)cc2F)c1O ZINC001607103296 1097516136 /nfs/dbraw/zinc/51/61/36/1097516136.db2.gz DPDSNDIPMSVVQC-UHFFFAOYSA-N -1 0 348.261 2.501 20 30 EFEDRM COc1cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)ccc1SC ZINC001607150816 1097544596 /nfs/dbraw/zinc/54/45/96/1097544596.db2.gz MWKJHDIRRYHRGD-XFFZJAGNSA-N -1 0 344.392 2.982 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607152930 1097544767 /nfs/dbraw/zinc/54/47/67/1097544767.db2.gz DJZWRTDMNYLFBX-UHFFFAOYSA-N -1 0 333.275 2.887 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(C)c(C#N)cn1 ZINC001607153517 1097545286 /nfs/dbraw/zinc/54/52/86/1097545286.db2.gz DTRGKTOEXBUJQI-XQRVVYSFSA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(NC(=O)c2cccc(CC#N)c2)c(C(=O)[O-])cc1OC ZINC001607179225 1097553226 /nfs/dbraw/zinc/55/32/26/1097553226.db2.gz CKMSZUNPPVPMCQ-UHFFFAOYSA-N -1 0 340.335 2.720 20 30 EFEDRM COc1cc(OC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001607183460 1097553531 /nfs/dbraw/zinc/55/35/31/1097553531.db2.gz RPFZZOZCYWYMMQ-UHFFFAOYSA-N -1 0 337.331 2.902 20 30 EFEDRM COc1cc(OC)c(/C=C\C(=O)c2cc(C(=O)[O-])co2)c(OC)c1 ZINC001607183053 1097553640 /nfs/dbraw/zinc/55/36/40/1097553640.db2.gz CUTHGUPLALFYKF-PLNGDYQASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C#N)c2C)cc1 ZINC001607223268 1097565630 /nfs/dbraw/zinc/56/56/30/1097565630.db2.gz ASGWMGQLSIXPQD-KRWDZBQOSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1ccc(C(N)=NOCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001607228550 1097566492 /nfs/dbraw/zinc/56/64/92/1097566492.db2.gz YKENUMVIOBJXOV-UHFFFAOYSA-N -1 0 334.759 2.884 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])cc1 ZINC001607228218 1097566748 /nfs/dbraw/zinc/56/67/48/1097566748.db2.gz AOUTYATZFPVACC-QGZVFWFLSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1ccc([C@@H](NCc2cc(C#N)cs2)C(=O)[O-])c(OC)c1 ZINC001607235421 1097569695 /nfs/dbraw/zinc/56/96/95/1097569695.db2.gz VEVAADSUXBWSPN-OAHLLOKOSA-N -1 0 332.381 2.552 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccsc1C#N ZINC001607242532 1097572359 /nfs/dbraw/zinc/57/23/59/1097572359.db2.gz LOXSXMRUHWJOKN-HYXAFXHYSA-N -1 0 329.333 2.945 20 30 EFEDRM COc1ccc2ccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2c1 ZINC001607300106 1097589595 /nfs/dbraw/zinc/58/95/95/1097589595.db2.gz FPDCMTUHCUEQNE-UHFFFAOYSA-N -1 0 338.363 2.679 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(C)c(C#N)c2)c1 ZINC001607308323 1097593903 /nfs/dbraw/zinc/59/39/03/1097593903.db2.gz RAISNOCOGNDPDP-QGZVFWFLSA-N -1 0 338.363 2.773 20 30 EFEDRM CSc1ccccc1[C@@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607412132 1097623362 /nfs/dbraw/zinc/62/33/62/1097623362.db2.gz CMIAMEIXCCMQSK-GFCCVEGCSA-N -1 0 347.440 2.869 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c1C#N ZINC001607414505 1097624161 /nfs/dbraw/zinc/62/41/61/1097624161.db2.gz LLCPJLMHZBXSDG-CYBMUJFWSA-N -1 0 332.381 2.573 20 30 EFEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1sccc1CC#N ZINC001607417273 1097625261 /nfs/dbraw/zinc/62/52/61/1097625261.db2.gz NTALPRGTYNMBPY-LBPRGKRZSA-N -1 0 328.393 2.930 20 30 EFEDRM C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H]1C(=O)[O-] ZINC001607434886 1097628738 /nfs/dbraw/zinc/62/87/38/1097628738.db2.gz YXYFWTZYSWFNLG-VXNVDRBHSA-N -1 0 327.167 2.658 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)O[C@H]1C(=O)[O-] ZINC001607444353 1097630059 /nfs/dbraw/zinc/63/00/59/1097630059.db2.gz PMPAXUPHHGADCJ-ZDSQKVDBSA-N -1 0 336.413 2.734 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)Sc2cccnc2C#N)c(C)c1C(=O)[O-] ZINC001607486785 1097638453 /nfs/dbraw/zinc/63/84/53/1097638453.db2.gz LLGBBGWPTCXJBK-JTQLQIEISA-N -1 0 329.381 2.960 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC001607496211 1097642880 /nfs/dbraw/zinc/64/28/80/1097642880.db2.gz WANQCXWBMIXDQQ-GFCCVEGCSA-N -1 0 325.368 2.769 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC001607518793 1097649877 /nfs/dbraw/zinc/64/98/77/1097649877.db2.gz IQPNCRHNMSZZQH-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1c(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)c(C(=O)[O-])nn1C ZINC001607525219 1097650792 /nfs/dbraw/zinc/65/07/92/1097650792.db2.gz SNJZKHWKENPKBK-XFFZJAGNSA-N -1 0 341.323 2.547 20 30 EFEDRM Cc1c(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)c(C(=O)[O-])nn1C ZINC001607525220 1097650921 /nfs/dbraw/zinc/65/09/21/1097650921.db2.gz SNJZKHWKENPKBK-YRNVUSSQSA-N -1 0 341.323 2.547 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001607564230 1097661544 /nfs/dbraw/zinc/66/15/44/1097661544.db2.gz APARVUWYUQJTRZ-LJQANCHMSA-N -1 0 348.402 2.756 20 30 EFEDRM Cc1cc(C#N)ccc1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001607565161 1097662462 /nfs/dbraw/zinc/66/24/62/1097662462.db2.gz BUHGRSQYHWGOGB-UHFFFAOYSA-N -1 0 349.346 2.534 20 30 EFEDRM Cc1cc(C#N)nc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001607565865 1097662645 /nfs/dbraw/zinc/66/26/45/1097662645.db2.gz JPOIIYIPZPRISN-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1cc(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)c(C)c(C)c1C ZINC001607568884 1097662793 /nfs/dbraw/zinc/66/27/93/1097662793.db2.gz RMYXLIARDYFVLG-UHFFFAOYSA-N -1 0 338.363 2.535 20 30 EFEDRM Cc1oc(C)c(S(=O)(=O)Oc2ccc(C#N)cc2C)c1C(=O)[O-] ZINC001607566575 1097662948 /nfs/dbraw/zinc/66/29/48/1097662948.db2.gz YDKTUHXZHJISRS-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1cc(C(=O)NC2(CC(=O)[O-])CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001607578267 1097665361 /nfs/dbraw/zinc/66/53/61/1097665361.db2.gz AOPLOXGTHAYCMM-UHFFFAOYSA-N -1 0 337.379 2.703 20 30 EFEDRM Cc1cc(C=NNC(=S)Nc2cccc(Cl)c2)[nH]c1C(=O)[O-] ZINC001607633356 1097684422 /nfs/dbraw/zinc/68/44/22/1097684422.db2.gz MFKIWXYQEFGZJP-UHFFFAOYSA-N -1 0 336.804 2.995 20 30 EFEDRM Cc1cc(CNC(=O)Cc2c(C)cc(C#N)cc2C)oc1C(=O)[O-] ZINC001607642292 1097686366 /nfs/dbraw/zinc/68/63/66/1097686366.db2.gz GWLYODJVRZVCBY-UHFFFAOYSA-N -1 0 326.352 2.634 20 30 EFEDRM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607656337 1097691095 /nfs/dbraw/zinc/69/10/95/1097691095.db2.gz CNSOXXRHPARUJC-GFCCVEGCSA-N -1 0 349.818 2.666 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607658692 1097692210 /nfs/dbraw/zinc/69/22/10/1097692210.db2.gz KTFZTSXLPMHFNA-SJCJKPOMSA-N -1 0 331.347 2.724 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)Oc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC001607662318 1097693011 /nfs/dbraw/zinc/69/30/11/1097693011.db2.gz NGKXDFAFNLLFHS-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1cc(N(CCC#N)C(=O)CSCC(=O)[O-])ccc1Cl ZINC001607669818 1097695272 /nfs/dbraw/zinc/69/52/72/1097695272.db2.gz UMPJJZBWSODFRE-UHFFFAOYSA-N -1 0 326.805 2.713 20 30 EFEDRM Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)nc(C)c1C(=O)[O-] ZINC001607691210 1097700363 /nfs/dbraw/zinc/70/03/63/1097700363.db2.gz WBXAOISTOMKGNH-UHFFFAOYSA-N -1 0 331.278 2.799 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001607724074 1097710322 /nfs/dbraw/zinc/71/03/22/1097710322.db2.gz CCGITWNUPCASJS-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)[O-] ZINC001607726917 1097711079 /nfs/dbraw/zinc/71/10/79/1097711079.db2.gz FPVHESYCZUFIFN-UHFFFAOYSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCc2c(C#N)cccc21 ZINC001607741150 1097715867 /nfs/dbraw/zinc/71/58/67/1097715867.db2.gz FWMRQSNZQXSVPC-UHFFFAOYSA-N -1 0 349.390 2.956 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC(C)(C)[C@H]1C#N ZINC001607741497 1097717083 /nfs/dbraw/zinc/71/70/83/1097717083.db2.gz KICNYOQZIJLOCB-OAHLLOKOSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc(NN=Cc2cc(Br)nn2C)cc1C(=O)[O-] ZINC001607808530 1097740286 /nfs/dbraw/zinc/74/02/86/1097740286.db2.gz RNELWQRBIQUWAU-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2sccc2CC#N)C(=O)[O-])c1 ZINC001607849626 1097753251 /nfs/dbraw/zinc/75/32/51/1097753251.db2.gz FNBSRGMLDSSRAX-HNNXBMFYSA-N -1 0 342.420 2.796 20 30 EFEDRM Cc1cccc2c1O[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001607866759 1097759963 /nfs/dbraw/zinc/75/99/63/1097759963.db2.gz ZAGSVOSJCZUDBY-NVXWUHKLSA-N -1 0 337.331 2.539 20 30 EFEDRM Cc1ccccc1C1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1 ZINC001607875595 1097762610 /nfs/dbraw/zinc/76/26/10/1097762610.db2.gz SWZNGLDWWBUVRU-UHFFFAOYSA-N -1 0 326.396 2.634 20 30 EFEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C#N)o2)c1 ZINC001607915808 1097776342 /nfs/dbraw/zinc/77/63/42/1097776342.db2.gz AFZWLGLACYQORF-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1nc(CCC(=O)OCC#Cc2cccc(C(=O)[O-])c2)cs1 ZINC001607952788 1097786455 /nfs/dbraw/zinc/78/64/55/1097786455.db2.gz JIVHXZGYSMBVFO-UHFFFAOYSA-N -1 0 329.377 2.677 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2cc(C(=O)[O-])c3n2CCCC3)n1 ZINC001607959407 1097788850 /nfs/dbraw/zinc/78/88/50/1097788850.db2.gz QCZXTQIYXBYYHB-UHFFFAOYSA-N -1 0 333.779 2.720 20 30 EFEDRM Cc1nc(SCC(=O)OCCCCC(=O)[O-])c(C#N)c(C)c1C ZINC001607967410 1097792216 /nfs/dbraw/zinc/79/22/16/1097792216.db2.gz GZIQLBXAFLCTTD-UHFFFAOYSA-N -1 0 336.413 2.769 20 30 EFEDRM Cc1nc2ccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2s1 ZINC001607974648 1097793911 /nfs/dbraw/zinc/79/39/11/1097793911.db2.gz OFZHYIBDUMJCSN-UHFFFAOYSA-N -1 0 344.396 2.827 20 30 EFEDRM Cc1nn(C)c(/C=C/C(=O)c2cc(C(=O)[O-])co2)c1Br ZINC001607997625 1097800740 /nfs/dbraw/zinc/80/07/40/1097800740.db2.gz CJHYZTUJUPPHTQ-ONEGZZNKSA-N -1 0 339.145 2.678 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001608029587 1097809701 /nfs/dbraw/zinc/80/97/01/1097809701.db2.gz OVMGYEVMMLUUQD-UHFFFAOYSA-N -1 0 325.368 2.840 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCC2CCC(C#N)CC2)cc1C(=O)[O-] ZINC001608044448 1097814537 /nfs/dbraw/zinc/81/45/37/1097814537.db2.gz SWFZGPJYWNSHLD-UHFFFAOYSA-N -1 0 333.388 2.758 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001608080210 1097827886 /nfs/dbraw/zinc/82/78/86/1097827886.db2.gz FMGPQCLRNKIQLB-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001608080993 1097828144 /nfs/dbraw/zinc/82/81/44/1097828144.db2.gz RVYPKRCEYBDVAO-UHFFFAOYSA-N -1 0 349.140 2.577 20 30 EFEDRM Cn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001608091910 1097832172 /nfs/dbraw/zinc/83/21/72/1097832172.db2.gz TYRSCGSKPPOSMT-AWEZNQCLSA-N -1 0 345.447 2.622 20 30 EFEDRM Cn1nc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001608150237 1097846519 /nfs/dbraw/zinc/84/65/19/1097846519.db2.gz KUNBCNIQCUIPCK-CYBMUJFWSA-N -1 0 341.371 2.675 20 30 EFEDRM Cn1ncc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC001608158385 1097848690 /nfs/dbraw/zinc/84/86/90/1097848690.db2.gz XRIQPQMPTAKSDL-UHFFFAOYSA-N -1 0 332.363 2.525 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCCCSc2ccccc2)CC1 ZINC001608171328 1097850376 /nfs/dbraw/zinc/85/03/76/1097850376.db2.gz JWFOSPFAIDEORM-UHFFFAOYSA-N -1 0 347.440 2.569 20 30 EFEDRM N#C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC001608173259 1097850410 /nfs/dbraw/zinc/85/04/10/1097850410.db2.gz DKAMOPPLGUJVMI-INIZCTEOSA-N -1 0 339.395 2.997 20 30 EFEDRM N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608173862 1097850428 /nfs/dbraw/zinc/85/04/28/1097850428.db2.gz NKMRUDXDMJSLEA-HIFRSBDPSA-N -1 0 345.790 2.531 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC001608172330 1097850566 /nfs/dbraw/zinc/85/05/66/1097850566.db2.gz XXZXATHGZRRZBW-UHFFFAOYSA-N -1 0 346.814 2.880 20 30 EFEDRM N#CC1(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)CCOCC1 ZINC001608172137 1097850856 /nfs/dbraw/zinc/85/08/56/1097850856.db2.gz MIIUCDVXKWKIHZ-UHFFFAOYSA-N -1 0 349.412 2.758 20 30 EFEDRM N#C[C@@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)Cc1cccs1 ZINC001608173616 1097850930 /nfs/dbraw/zinc/85/09/30/1097850930.db2.gz IJDCXUIMQSHVLW-LBPRGKRZSA-N -1 0 345.376 2.751 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCCC2(c3ccccc3)CC2)CC1 ZINC001608172092 1097851115 /nfs/dbraw/zinc/85/11/15/1097851115.db2.gz VJXXZPIQCQHIHC-UHFFFAOYSA-N -1 0 341.411 2.508 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccc3sccc3c2)CC1 ZINC001608172135 1097851152 /nfs/dbraw/zinc/85/11/52/1097851152.db2.gz DBGMOPYDYBCTBI-UHFFFAOYSA-N -1 0 343.408 2.801 20 30 EFEDRM N#CC1(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])CC1 ZINC001608174888 1097851558 /nfs/dbraw/zinc/85/15/58/1097851558.db2.gz GPBNRCKNPDNCHS-CYBMUJFWSA-N -1 0 335.201 2.564 20 30 EFEDRM N#CC1(CCCOC(=O)c2ccc(/C=C/C(=O)[O-])o2)CCOCC1 ZINC001608175007 1097852229 /nfs/dbraw/zinc/85/22/29/1097852229.db2.gz LCCFGQZFQMGLBK-HWKANZROSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CC1(CC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC001608175737 1097852294 /nfs/dbraw/zinc/85/22/94/1097852294.db2.gz GXCCAAJGNCTTRF-UHFFFAOYSA-N -1 0 326.396 2.860 20 30 EFEDRM N#CC1(CC(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)CCCCC1 ZINC001608176382 1097853240 /nfs/dbraw/zinc/85/32/40/1097853240.db2.gz VQKDIUFODSINCH-OAHLLOKOSA-N -1 0 346.358 2.868 20 30 EFEDRM N#C[C@@]1(F)CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001608176748 1097853399 /nfs/dbraw/zinc/85/33/99/1097853399.db2.gz CIQYGVLHBWDQCE-AAEUAGOBSA-N -1 0 327.153 2.512 20 30 EFEDRM N#CC1(NC(=O)CNc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001608177082 1097853534 /nfs/dbraw/zinc/85/35/34/1097853534.db2.gz LKCIYVMWDVVBMK-UHFFFAOYSA-N -1 0 329.381 2.574 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001608184500 1097853854 /nfs/dbraw/zinc/85/38/54/1097853854.db2.gz ZGIUXSRSDQACJS-WDZFZDKYSA-N -1 0 348.227 2.592 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001608185436 1097853868 /nfs/dbraw/zinc/85/38/68/1097853868.db2.gz QTZMPNMFVYTUSP-UHFFFAOYSA-N -1 0 340.404 2.954 20 30 EFEDRM N#CCCN1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001608184647 1097853905 /nfs/dbraw/zinc/85/39/05/1097853905.db2.gz RENGKVULWSSGCQ-CQSZACIVSA-N -1 0 342.226 2.650 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001608186320 1097853995 /nfs/dbraw/zinc/85/39/95/1097853995.db2.gz JWWCXDQQJIGIIS-UHFFFAOYSA-N -1 0 348.362 2.742 20 30 EFEDRM N#CCSCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001608187113 1097854014 /nfs/dbraw/zinc/85/40/14/1097854014.db2.gz NOQZXASTLNWZJL-UHFFFAOYSA-N -1 0 333.413 2.570 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001608185595 1097854090 /nfs/dbraw/zinc/85/40/90/1097854090.db2.gz YPBVUEBFKWVYME-UHFFFAOYSA-N -1 0 326.352 2.706 20 30 EFEDRM N#CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001608187026 1097854277 /nfs/dbraw/zinc/85/42/77/1097854277.db2.gz JDNKPBMQCSOYPB-NSHDSACASA-N -1 0 346.330 2.594 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCSc1cccc(Cl)c1 ZINC001608185085 1097854334 /nfs/dbraw/zinc/85/43/34/1097854334.db2.gz BFWWEXBZQQJIFY-UHFFFAOYSA-N -1 0 326.805 2.649 20 30 EFEDRM N#CCCn1ccc(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n1 ZINC001608183434 1097854347 /nfs/dbraw/zinc/85/43/47/1097854347.db2.gz NBKWIQCXVRYQCQ-UHFFFAOYSA-N -1 0 338.327 2.620 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC001608185166 1097854456 /nfs/dbraw/zinc/85/44/56/1097854456.db2.gz FUXRZKBYXKYNFA-UHFFFAOYSA-N -1 0 348.362 2.670 20 30 EFEDRM N#CCCN1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001608184646 1097854475 /nfs/dbraw/zinc/85/44/75/1097854475.db2.gz RENGKVULWSSGCQ-AWEZNQCLSA-N -1 0 342.226 2.650 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC001608189443 1097854707 /nfs/dbraw/zinc/85/47/07/1097854707.db2.gz SFRLOUOFZNTQET-LSDHHAIUSA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001608188216 1097855256 /nfs/dbraw/zinc/85/52/56/1097855256.db2.gz LQLUQOLSWSZTSW-UHFFFAOYSA-N -1 0 327.365 2.577 20 30 EFEDRM N#CCOc1ccc(CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001608188751 1097855427 /nfs/dbraw/zinc/85/54/27/1097855427.db2.gz LHGFYSKQWOLJBE-KRWDZBQOSA-N -1 0 344.411 2.529 20 30 EFEDRM N#CCOc1ccc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001608188939 1097855464 /nfs/dbraw/zinc/85/54/64/1097855464.db2.gz QVQJROQIPSLSPE-UHFFFAOYSA-N -1 0 328.280 2.774 20 30 EFEDRM N#Cc1c(COC(=O)c2cc3ccccc3c(=O)o2)cccc1C(=O)[O-] ZINC001608191064 1097855952 /nfs/dbraw/zinc/85/59/52/1097855952.db2.gz OEGITWVZCVEKFE-UHFFFAOYSA-N -1 0 349.298 2.720 20 30 EFEDRM N#CCc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001608189630 1097856020 /nfs/dbraw/zinc/85/60/20/1097856020.db2.gz CXHVMYAVLRHDNB-RDTXWAMCSA-N -1 0 327.384 2.861 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCCCCC(=O)C2)cccc1C(=O)[O-] ZINC001608190691 1097856696 /nfs/dbraw/zinc/85/66/96/1097856696.db2.gz JBZSVSUIDUQMIJ-LBPRGKRZSA-N -1 0 329.352 2.839 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(Br)c[nH]2)cccc1C(=O)[O-] ZINC001608191103 1097856754 /nfs/dbraw/zinc/85/67/54/1097856754.db2.gz OTQWFDPXYZWHAL-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001608194952 1097857261 /nfs/dbraw/zinc/85/72/61/1097857261.db2.gz AITNLSHSMZQDHP-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1Nc1ccc(CCC(=O)[O-])cc1 ZINC001608195208 1097857674 /nfs/dbraw/zinc/85/76/74/1097857674.db2.gz IARNJWAOMJLRLB-UHFFFAOYSA-N -1 0 326.312 2.809 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001608195108 1097857725 /nfs/dbraw/zinc/85/77/25/1097857725.db2.gz GQVGKMIKIVTZFB-RISCZKNCSA-N -1 0 338.323 2.774 20 30 EFEDRM N#Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1F ZINC001608194201 1097857862 /nfs/dbraw/zinc/85/78/62/1097857862.db2.gz RXTLEZVRXBRSSH-UHFFFAOYSA-N -1 0 348.280 2.703 20 30 EFEDRM N#Cc1c(COc2ccc(Cl)cc2C(N)=O)cccc1C(=O)[O-] ZINC001608192456 1097857927 /nfs/dbraw/zinc/85/79/27/1097857927.db2.gz PFKONPHFLGTICA-UHFFFAOYSA-N -1 0 330.727 2.588 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2csc(-c3ccsc3)n2)c1=O ZINC001608195584 1097858027 /nfs/dbraw/zinc/85/80/27/1097858027.db2.gz CJHYMAXPTMHVOQ-UHFFFAOYSA-N -1 0 343.389 2.651 20 30 EFEDRM N#Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)ccc1Cl ZINC001608194435 1097858073 /nfs/dbraw/zinc/85/80/73/1097858073.db2.gz VIMVOQQMOSLJDQ-UHFFFAOYSA-N -1 0 328.755 2.939 20 30 EFEDRM N#Cc1cc(F)c(N2CCC(c3cc(C(=O)[O-])on3)CC2)c(F)c1 ZINC001608196783 1097858316 /nfs/dbraw/zinc/85/83/16/1097858316.db2.gz GJEWUWDMYCBQQD-UHFFFAOYSA-N -1 0 333.294 2.907 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001608197136 1097858505 /nfs/dbraw/zinc/85/85/05/1097858505.db2.gz RDKKPVGMPPHRNO-SJKOYZFVSA-N -1 0 331.347 2.806 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(NC[C@@H](Oc2ccccc2)C(=O)[O-])cc1F ZINC001608198458 1097858750 /nfs/dbraw/zinc/85/87/50/1097858750.db2.gz ICKQZMHVZYTUSH-OAHLLOKOSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1cc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c(F)cc1F ZINC001608197637 1097858846 /nfs/dbraw/zinc/85/88/46/1097858846.db2.gz KQKLVUMCEILHPZ-UHFFFAOYSA-N -1 0 337.326 2.993 20 30 EFEDRM N#Cc1cc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)ccn1 ZINC001608198283 1097859040 /nfs/dbraw/zinc/85/90/40/1097859040.db2.gz XSSKVMKALDXSHF-JKSUJKDBSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001608200018 1097859304 /nfs/dbraw/zinc/85/93/04/1097859304.db2.gz BDJBYYFSNSPWRI-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001608198870 1097859441 /nfs/dbraw/zinc/85/94/41/1097859441.db2.gz HCTACOBOMZRCQI-ZDUSSCGKSA-N -1 0 341.392 2.733 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001608199293 1097860095 /nfs/dbraw/zinc/86/00/95/1097860095.db2.gz BACNZQLYXZOEQN-BJMVGYQFSA-N -1 0 337.331 2.892 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(F)c1 ZINC001608198980 1097860236 /nfs/dbraw/zinc/86/02/36/1097860236.db2.gz MYTKQVPYXHBOQS-HZPDHXFCSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCOc3cccc(F)c3C2)cc1 ZINC001608199550 1097860242 /nfs/dbraw/zinc/86/02/42/1097860242.db2.gz MSNSOPISISMSHE-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccc([C@H](NCc2ccn(Cc3ccccc3)n2)C(=O)[O-])cc1 ZINC001608202944 1097860953 /nfs/dbraw/zinc/86/09/53/1097860953.db2.gz YPEUQGHJMSKXCP-IBGZPJMESA-N -1 0 346.390 2.719 20 30 EFEDRM N#Cc1ccc(CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C2CC2)cc1 ZINC001608204839 1097861524 /nfs/dbraw/zinc/86/15/24/1097861524.db2.gz QEHOOAIVYAVQAG-MRXNPFEDSA-N -1 0 341.411 2.733 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)nc1 ZINC001608203513 1097861666 /nfs/dbraw/zinc/86/16/66/1097861666.db2.gz BMUISCRAJJPRLA-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001608204422 1097861748 /nfs/dbraw/zinc/86/17/48/1097861748.db2.gz BGRPSZGFGCVPTE-ZDUSSCGKSA-N -1 0 335.791 2.512 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2OCCc3ccccc32)C(=O)[O-])cc1 ZINC001608203703 1097861764 /nfs/dbraw/zinc/86/17/64/1097861764.db2.gz RWQFEOWTEYNEAW-DLBZAZTESA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C[C@@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC001608203611 1097861773 /nfs/dbraw/zinc/86/17/73/1097861773.db2.gz REVDEBCCTASJOR-FUHWJXTLSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CCCC2)cc1 ZINC001608203902 1097861952 /nfs/dbraw/zinc/86/19/52/1097861952.db2.gz XTEKHEWXOVNELX-GUXCAODWSA-N -1 0 338.407 2.740 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001608204736 1097861996 /nfs/dbraw/zinc/86/19/96/1097861996.db2.gz ODUSCBOKENUPGA-LBPRGKRZSA-N -1 0 334.291 2.749 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001608204880 1097862240 /nfs/dbraw/zinc/86/22/40/1097862240.db2.gz RKZMYOKFAVTISL-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)CC2)cc1 ZINC001608204141 1097862305 /nfs/dbraw/zinc/86/23/05/1097862305.db2.gz UQGIDYWNUGRJIU-QGZVFWFLSA-N -1 0 339.395 2.621 20 30 EFEDRM N#Cc1ccc(F)c(Cn2cc(C3CCC(C(=O)[O-])CC3)nn2)c1 ZINC001608206322 1097862859 /nfs/dbraw/zinc/86/28/59/1097862859.db2.gz FYNXIGRLEABHSC-UHFFFAOYSA-N -1 0 328.347 2.696 20 30 EFEDRM N#Cc1ccc(N2CCC(C#N)(C(=O)[O-])CC2)cc1Br ZINC001608207380 1097862866 /nfs/dbraw/zinc/86/28/66/1097862866.db2.gz OGQKQRGQKGVSNG-UHFFFAOYSA-N -1 0 334.173 2.516 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001608206314 1097862929 /nfs/dbraw/zinc/86/29/29/1097862929.db2.gz TZYPHGXCQWXMHZ-UHFFFAOYSA-N -1 0 344.436 2.790 20 30 EFEDRM N#Cc1ccc(F)c(COC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001608206980 1097863171 /nfs/dbraw/zinc/86/31/71/1097863171.db2.gz SCFRQZJTNAMYAV-KXBFYZLASA-N -1 0 339.322 2.999 20 30 EFEDRM N#Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c(Br)c1 ZINC001608205154 1097863190 /nfs/dbraw/zinc/86/31/90/1097863190.db2.gz XBVVWVIISVAXQN-UHFFFAOYSA-N -1 0 348.200 2.511 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001608204996 1097863258 /nfs/dbraw/zinc/86/32/58/1097863258.db2.gz TYXSNXCMBUMMBM-CYBMUJFWSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(N(C(=O)Cc2ccc(C(=O)[O-])nc2)C2CCC2)cc1 ZINC001608206137 1097863353 /nfs/dbraw/zinc/86/33/53/1097863353.db2.gz GGYOQVLYLVESFK-UHFFFAOYSA-N -1 0 335.363 2.780 20 30 EFEDRM N#Cc1ccc(NCc2ccc(Cl)c(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC001608209153 1097863760 /nfs/dbraw/zinc/86/37/60/1097863760.db2.gz YAOCYYRNHGMILY-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001608209936 1097863812 /nfs/dbraw/zinc/86/38/12/1097863812.db2.gz XDDCLUQJKHZNGH-KRWDZBQOSA-N -1 0 336.347 2.944 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C2CC2)c1 ZINC001608208988 1097863843 /nfs/dbraw/zinc/86/38/43/1097863843.db2.gz HDGNUCMEOHANFX-UHFFFAOYSA-N -1 0 348.405 2.996 20 30 EFEDRM N#Cc1ccc(OCCOc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001608210158 1097864281 /nfs/dbraw/zinc/86/42/81/1097864281.db2.gz HMMFAHKUXBXTOA-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C2 ZINC001608214647 1097864824 /nfs/dbraw/zinc/86/48/24/1097864824.db2.gz RCGIYPZQEVLLNF-UHFFFAOYSA-N -1 0 342.380 2.580 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)n1 ZINC001608214607 1097865039 /nfs/dbraw/zinc/86/50/39/1097865039.db2.gz DJDQXNWCNXAYSK-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001608214249 1097865082 /nfs/dbraw/zinc/86/50/82/1097865082.db2.gz IQGJGAHCKVKISG-MRXNPFEDSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])c1 ZINC001608214536 1097865383 /nfs/dbraw/zinc/86/53/83/1097865383.db2.gz BPCRZQCWEHPKST-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCCCCCC(=O)[O-])on2)c1 ZINC001608215022 1097866555 /nfs/dbraw/zinc/86/65/55/1097866555.db2.gz WNVOFCJNEZICIA-UHFFFAOYSA-N -1 0 327.340 2.588 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001608215067 1097866559 /nfs/dbraw/zinc/86/65/59/1097866559.db2.gz XEJZCKNHRKPLHX-CKEIUWERSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001608217963 1097867374 /nfs/dbraw/zinc/86/73/74/1097867374.db2.gz ATQNFKZJOSJXGP-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001608218035 1097867498 /nfs/dbraw/zinc/86/74/98/1097867498.db2.gz CJJXVSJDXBCCIW-CABCVRRESA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1cccc(N(C(=O)c2csc(C(=O)[O-])n2)C2CCC2)c1 ZINC001608217183 1097867758 /nfs/dbraw/zinc/86/77/58/1097867758.db2.gz POEAUDLQBDLVCZ-UHFFFAOYSA-N -1 0 327.365 2.912 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001608220318 1097868385 /nfs/dbraw/zinc/86/83/85/1097868385.db2.gz VNYNDLDQXBGTRL-INIZCTEOSA-N -1 0 327.409 2.568 20 30 EFEDRM N#Cc1ccnc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC001608220757 1097868395 /nfs/dbraw/zinc/86/83/95/1097868395.db2.gz LLMGFIHKLQDZJW-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC001608218674 1097868437 /nfs/dbraw/zinc/86/84/37/1097868437.db2.gz VFKYWVCEBFHTBX-DLBZAZTESA-N -1 0 332.359 2.949 20 30 EFEDRM N#Cc1ccccc1OCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001608219385 1097868649 /nfs/dbraw/zinc/86/86/49/1097868649.db2.gz SUFOQCAZKPVSGN-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001608220319 1097868824 /nfs/dbraw/zinc/86/88/24/1097868824.db2.gz VNYNDLDQXBGTRL-MRXNPFEDSA-N -1 0 327.409 2.568 20 30 EFEDRM N#Cc1cnc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c(F)c1 ZINC001608222976 1097869202 /nfs/dbraw/zinc/86/92/02/1097869202.db2.gz OUPCIRFCHNQMPS-UHFFFAOYSA-N -1 0 346.387 2.706 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001608221864 1097869280 /nfs/dbraw/zinc/86/92/80/1097869280.db2.gz XBUHBELELMXJLJ-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001608223460 1097869804 /nfs/dbraw/zinc/86/98/04/1097869804.db2.gz DAUJCGIVXBLRDB-INIZCTEOSA-N -1 0 345.305 2.508 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001608221494 1097869890 /nfs/dbraw/zinc/86/98/90/1097869890.db2.gz WAOZCSJNNGQQMW-UHFFFAOYSA-N -1 0 336.338 2.801 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCc1ccccc1OC(F)F ZINC001608223742 1097869972 /nfs/dbraw/zinc/86/99/72/1097869972.db2.gz DBFGZBCVWJKRKI-UHFFFAOYSA-N -1 0 333.294 2.907 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Oc1cc(CO)cc(C(F)(F)F)c1 ZINC001608224491 1097870476 /nfs/dbraw/zinc/87/04/76/1097870476.db2.gz SNGPZIQSKYJQPJ-UHFFFAOYSA-N -1 0 338.241 2.955 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001608224542 1097870580 /nfs/dbraw/zinc/87/05/80/1097870580.db2.gz ULGMNJQTBCWLNP-PRHODGIISA-N -1 0 329.278 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CCCN(c2ccccc2)C1 ZINC001608224315 1097870978 /nfs/dbraw/zinc/87/09/78/1097870978.db2.gz PIUOCOCREGYVHM-CQSZACIVSA-N -1 0 336.395 2.980 20 30 EFEDRM O=C(C#Cc1ccccc1)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001608277557 1097879607 /nfs/dbraw/zinc/87/96/07/1097879607.db2.gz MJWSCPCURYAPTF-KRWDZBQOSA-N -1 0 333.343 2.596 20 30 EFEDRM O=C([O-])[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC001608284078 1097881649 /nfs/dbraw/zinc/88/16/49/1097881649.db2.gz HMBUAARFGUMBQS-KXKDPZRNSA-N -1 0 333.359 2.558 20 30 EFEDRM O=C([O-])C[C@@H](NC(=O)C#CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001608668021 1097984092 /nfs/dbraw/zinc/98/40/92/1097984092.db2.gz CPXSBGYIIWKIFV-CYBMUJFWSA-N -1 0 325.286 2.751 20 30 EFEDRM O=C([O-])CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC001608742650 1098007202 /nfs/dbraw/zinc/00/72/02/1098007202.db2.gz VJWMNLOQXHCIAU-FLIBITNWSA-N -1 0 333.359 2.654 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cnn(CC(F)F)c2)cc1 ZINC001608758213 1098010890 /nfs/dbraw/zinc/01/08/90/1098010890.db2.gz VJDFATCTZZXHNL-LZCJLJQNSA-N -1 0 336.294 2.508 20 30 EFEDRM O=C([O-])[C@H]1CC(F)(F)CN1Cc1c(F)c(F)c(F)c(F)c1F ZINC001608819552 1098031929 /nfs/dbraw/zinc/03/19/29/1098031929.db2.gz ROSPZNWQNKSKMG-RXMQYKEDSA-N -1 0 331.187 2.676 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1c[nH]nc1-c1cccnc1 ZINC001608828562 1098035599 /nfs/dbraw/zinc/03/55/99/1098035599.db2.gz LKSMYGGORCOYGV-UHFFFAOYSA-N -1 0 325.303 2.755 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=C1C(=O)Nc2ccc(Cl)cc21 ZINC001608828731 1098035724 /nfs/dbraw/zinc/03/57/24/1098035724.db2.gz UESNLUBNFLPYNU-UHFFFAOYSA-N -1 0 333.706 2.946 20 30 EFEDRM O=C([O-])c1cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)ccc1F ZINC001608856570 1098047203 /nfs/dbraw/zinc/04/72/03/1098047203.db2.gz DUKXMYQUVNMESL-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1cnc(NCC#C[C@H]2CCCCO2)cc1C(F)(F)F ZINC001608976901 1098095354 /nfs/dbraw/zinc/09/53/54/1098095354.db2.gz KXEORHDVWZHXIK-SNVBAGLBSA-N -1 0 328.290 2.783 20 30 EFEDRM O=C([O-])c1nn(CC#Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001609003814 1098106349 /nfs/dbraw/zinc/10/63/49/1098106349.db2.gz DDJVBYYBBYFWNT-UHFFFAOYSA-N -1 0 339.229 2.560 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001269404492 1098115363 /nfs/dbraw/zinc/11/53/63/1098115363.db2.gz CUCJOGMKKPJNLU-LBPRGKRZSA-N -1 0 348.362 2.719 20 30 EFEDRM Cc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)o1 ZINC001609061277 1098126098 /nfs/dbraw/zinc/12/60/98/1098126098.db2.gz RZHYJEQVPLFHBM-UHFFFAOYSA-N -1 0 329.364 2.890 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)C2CCSCC2)o1 ZINC001609061562 1098128201 /nfs/dbraw/zinc/12/82/01/1098128201.db2.gz LAVUEXUJVQDJAK-UHFFFAOYSA-N -1 0 349.464 2.984 20 30 EFEDRM C#CC[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001609079037 1098134221 /nfs/dbraw/zinc/13/42/21/1098134221.db2.gz UMZKJEWPAUKSGY-OAHLLOKOSA-N -1 0 329.327 2.611 20 30 EFEDRM C#CCCN(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001609106775 1098148109 /nfs/dbraw/zinc/14/81/09/1098148109.db2.gz OTRIWVMJUNUVQK-UHFFFAOYSA-N -1 0 327.302 2.732 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001609152936 1098171338 /nfs/dbraw/zinc/17/13/38/1098171338.db2.gz MPHSLBRNIBCHHH-UHFFFAOYSA-N -1 0 344.342 2.770 20 30 EFEDRM C#CCOc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001609167692 1098181003 /nfs/dbraw/zinc/18/10/03/1098181003.db2.gz SWWOFWOVSBDWDH-UHFFFAOYSA-N -1 0 329.396 2.740 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])nc1 ZINC001609183768 1098185612 /nfs/dbraw/zinc/18/56/12/1098185612.db2.gz SBHCISBQUQGIMW-HNNXBMFYSA-N -1 0 329.739 2.569 20 30 EFEDRM C#Cc1cccc(N(C(=O)CCc2ocnc2C(=O)[O-])C(C)C)c1 ZINC001609183820 1098186220 /nfs/dbraw/zinc/18/62/20/1098186220.db2.gz YQRUOOVSKQICMW-UHFFFAOYSA-N -1 0 326.352 2.728 20 30 EFEDRM C#Cc1ccc(CNC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001609183563 1098186210 /nfs/dbraw/zinc/18/62/10/1098186210.db2.gz HEGGRKKHWXJQOF-UHFFFAOYSA-N -1 0 326.352 2.609 20 30 EFEDRM CC[C@H](C)[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)OC ZINC001609185517 1098188014 /nfs/dbraw/zinc/18/80/14/1098188014.db2.gz JCHTZZJDNIYUQI-UWVGGRQHSA-N -1 0 335.412 2.611 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609190092 1098190050 /nfs/dbraw/zinc/19/00/50/1098190050.db2.gz WZDIRKMLGBHCIA-HNAYVOBHSA-N -1 0 335.403 2.659 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001609257996 1098228937 /nfs/dbraw/zinc/22/89/37/1098228937.db2.gz WMYWDUOVATUKKP-FKQLVMLNSA-N -1 0 332.352 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001609257667 1098229171 /nfs/dbraw/zinc/22/91/71/1098229171.db2.gz KWGKPBMRKVANJC-KRWDZBQOSA-N -1 0 330.363 2.524 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001609287022 1098237519 /nfs/dbraw/zinc/23/75/19/1098237519.db2.gz AYVGBZAORDANHP-CYBMUJFWSA-N -1 0 325.368 2.751 20 30 EFEDRM C=C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)[O-] ZINC001609287442 1098239510 /nfs/dbraw/zinc/23/95/10/1098239510.db2.gz QLHKCUIVXNTGRQ-NSHDSACASA-N -1 0 339.804 2.779 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001609329313 1098249541 /nfs/dbraw/zinc/24/95/41/1098249541.db2.gz QTZDFXGBNSIFSG-UHFFFAOYSA-N -1 0 329.418 2.962 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])C1CC1 ZINC001609345771 1098258311 /nfs/dbraw/zinc/25/83/11/1098258311.db2.gz AYUKGYICOGCBKD-UHFFFAOYSA-N -1 0 330.384 2.624 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)nn1 ZINC001609345912 1098258904 /nfs/dbraw/zinc/25/89/04/1098258904.db2.gz OCBAEGBONHOFIS-UHFFFAOYSA-N -1 0 334.763 2.767 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001609373522 1098272972 /nfs/dbraw/zinc/27/29/72/1098272972.db2.gz DOLKLJYSIDLGJO-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=CCNC(=S)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001609407247 1098295259 /nfs/dbraw/zinc/29/52/59/1098295259.db2.gz VNESDYFMPGQVCQ-UHFFFAOYSA-N -1 0 329.219 2.928 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001609460236 1098336171 /nfs/dbraw/zinc/33/61/71/1098336171.db2.gz MBHBDNKHJGRWHP-UHFFFAOYSA-N -1 0 348.376 2.646 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC001609460346 1098336209 /nfs/dbraw/zinc/33/62/09/1098336209.db2.gz PTGHPSMQIJZMNA-INIZCTEOSA-N -1 0 327.336 2.513 20 30 EFEDRM C=CCOc1ccccc1C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001609461806 1098336330 /nfs/dbraw/zinc/33/63/30/1098336330.db2.gz PTMPAQKCKWWSMB-IBGZPJMESA-N -1 0 340.379 2.766 20 30 EFEDRM C=CCOc1ccc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001609460159 1098336837 /nfs/dbraw/zinc/33/68/37/1098336837.db2.gz HJGXEABWXQXHKM-UHFFFAOYSA-N -1 0 330.340 2.603 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1CC(OCC)C1 ZINC001609464049 1098338818 /nfs/dbraw/zinc/33/88/18/1098338818.db2.gz JDPFJRGTJRTFKQ-UHFFFAOYSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001609469929 1098343461 /nfs/dbraw/zinc/34/34/61/1098343461.db2.gz CJQZGBISGWUNBH-ZDUSSCGKSA-N -1 0 343.431 2.786 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001609470554 1098343932 /nfs/dbraw/zinc/34/39/32/1098343932.db2.gz ZCNJLLXBTYRUQD-UHFFFAOYSA-N -1 0 349.394 2.720 20 30 EFEDRM C=CCn1cnn(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1=S ZINC001609485238 1098351328 /nfs/dbraw/zinc/35/13/28/1098351328.db2.gz IGFZAEXKVGBKGA-AWEZNQCLSA-N -1 0 346.456 2.780 20 30 EFEDRM C=CCn1c(=O)c2c(nc1S[C@@H](C=C)C(=O)[O-])sc1c2CCC1 ZINC001609485265 1098352755 /nfs/dbraw/zinc/35/27/55/1098352755.db2.gz KAPXXKDOGMZCHE-JTQLQIEISA-N -1 0 348.449 2.864 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001609631006 1098410026 /nfs/dbraw/zinc/41/00/26/1098410026.db2.gz MEOQKWHPHGJSRZ-ZCFIWIBFSA-N -1 0 344.140 2.568 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001609631214 1098410061 /nfs/dbraw/zinc/41/00/61/1098410061.db2.gz UALGJHBQDXVAET-HXUWFJFHSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@@H](C#N)CN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CC1 ZINC001609631128 1098410140 /nfs/dbraw/zinc/41/01/40/1098410140.db2.gz PPYJZLTUOGVHQF-NSHDSACASA-N -1 0 330.388 2.607 20 30 EFEDRM CC(C)(C#N)CC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001609647090 1098415443 /nfs/dbraw/zinc/41/54/43/1098415443.db2.gz QEAFWUYJHOUOLG-UHFFFAOYSA-N -1 0 339.189 2.703 20 30 EFEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001609653701 1098417069 /nfs/dbraw/zinc/41/70/69/1098417069.db2.gz NAESTVFGCXPYDL-CQSZACIVSA-N -1 0 344.820 2.645 20 30 EFEDRM CC(C)(NC(=O)Nc1ccc(C#N)cc1Cl)c1cc(C(=O)[O-])on1 ZINC001609679930 1098425679 /nfs/dbraw/zinc/42/56/79/1098425679.db2.gz ZIOQAILIKVTFHG-UHFFFAOYSA-N -1 0 348.746 2.955 20 30 EFEDRM CC(C)[C@H](Sc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609687302 1098428242 /nfs/dbraw/zinc/42/82/42/1098428242.db2.gz DVAGWVXKPNBNAR-INIZCTEOSA-N -1 0 346.452 2.998 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001609698762 1098431418 /nfs/dbraw/zinc/43/14/18/1098431418.db2.gz XUXPYGOUEKOOTQ-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM C[C@@H](C1CC1)N(C(=O)CON=Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001609725250 1098438701 /nfs/dbraw/zinc/43/87/01/1098438701.db2.gz TXSFZYWREOAOIV-LBPRGKRZSA-N -1 0 330.384 2.525 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC001609733899 1098441100 /nfs/dbraw/zinc/44/11/00/1098441100.db2.gz KXMBFMSSMSNDSM-SECBINFHSA-N -1 0 327.283 2.704 20 30 EFEDRM C[C@@H](CCN=Nc1nc(-c2ccccn2)nc2c1CCC2)C(=O)[O-] ZINC001609738025 1098442702 /nfs/dbraw/zinc/44/27/02/1098442702.db2.gz PZOBRNJKZXPFCE-NSHDSACASA-N -1 0 325.372 2.536 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001609741916 1098443821 /nfs/dbraw/zinc/44/38/21/1098443821.db2.gz BPHNXZDLZXKLJV-GFCCVEGCSA-N -1 0 328.393 2.983 20 30 EFEDRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609752760 1098446647 /nfs/dbraw/zinc/44/66/47/1098446647.db2.gz FEAWPUPPYYSRDP-GFCCVEGCSA-N -1 0 334.803 2.736 20 30 EFEDRM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001609763176 1098449164 /nfs/dbraw/zinc/44/91/64/1098449164.db2.gz IRXWBFCJWCSXMR-VIFPVBQESA-N -1 0 347.421 2.682 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001609768936 1098451003 /nfs/dbraw/zinc/45/10/03/1098451003.db2.gz REQQMIPASUDINF-SECBINFHSA-N -1 0 346.368 2.626 20 30 EFEDRM C[C@@H](NC(=O)c1csc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609771611 1098452422 /nfs/dbraw/zinc/45/24/22/1098452422.db2.gz NNVRJPFHQNWQPM-IAQYHMDHSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)C(=O)[O-] ZINC001609800573 1098461482 /nfs/dbraw/zinc/46/14/82/1098461482.db2.gz LCFHVOYXKMHZOP-NSHDSACASA-N -1 0 338.319 2.501 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)C(=O)[O-] ZINC001609800570 1098461664 /nfs/dbraw/zinc/46/16/64/1098461664.db2.gz LCFHVOYXKMHZOP-LLVKDONJSA-N -1 0 338.319 2.501 20 30 EFEDRM CC1(C(=O)[O-])CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC001609811899 1098466068 /nfs/dbraw/zinc/46/60/68/1098466068.db2.gz IZGUODNNSLNUMT-UHFFFAOYSA-N -1 0 335.363 2.849 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609889903 1098485449 /nfs/dbraw/zinc/48/54/49/1098485449.db2.gz ADPGRYXDQCGLIP-GTNSWQLSSA-N -1 0 332.356 2.503 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609889902 1098485453 /nfs/dbraw/zinc/48/54/53/1098485453.db2.gz ADPGRYXDQCGLIP-DIFFPNOSSA-N -1 0 332.356 2.503 20 30 EFEDRM CC[C@@](NC(=O)c1ccnc(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609928589 1098497194 /nfs/dbraw/zinc/49/71/94/1098497194.db2.gz LFEBXFYREQHZPA-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM CC[C@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC001609939022 1098500145 /nfs/dbraw/zinc/50/01/45/1098500145.db2.gz TXBUWEXTXSKMAA-AEZGRPFRSA-N -1 0 345.273 2.764 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2cccc(C#N)c2)NC(=O)N1CC1CC1 ZINC001609945747 1098501804 /nfs/dbraw/zinc/50/18/04/1098501804.db2.gz RWUKRTODOFZINN-INIZCTEOSA-N -1 0 325.368 2.783 20 30 EFEDRM CCC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001609957221 1098506061 /nfs/dbraw/zinc/50/60/61/1098506061.db2.gz YAAULCHALPGSQN-OAHLLOKOSA-N -1 0 329.400 2.928 20 30 EFEDRM CCCc1c(NC(=O)[C@@H](C)CC(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001609983466 1098513761 /nfs/dbraw/zinc/51/37/61/1098513761.db2.gz ZVBCTVQFTXSDNJ-LBPRGKRZSA-N -1 0 340.383 2.746 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CS[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001609993478 1098517746 /nfs/dbraw/zinc/51/77/46/1098517746.db2.gz MFQAMYIJRCQCEV-GOEBONIOSA-N -1 0 348.468 2.732 20 30 EFEDRM CCNc1scnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610010688 1098521224 /nfs/dbraw/zinc/52/12/24/1098521224.db2.gz MZLSUGWIXGGFGT-UHFFFAOYSA-N -1 0 331.353 2.502 20 30 EFEDRM CCC1N=NC(=S)N1N=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001610074738 1098541028 /nfs/dbraw/zinc/54/10/28/1098541028.db2.gz OESHWJRZUIBPPJ-UHFFFAOYSA-N -1 0 342.380 2.970 20 30 EFEDRM CCn1nnnc1-c1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001610087815 1098544725 /nfs/dbraw/zinc/54/47/25/1098544725.db2.gz NBGUNYQXYZKLLV-UHFFFAOYSA-N -1 0 348.366 2.542 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([S-])cc1 ZINC001269961960 1098548810 /nfs/dbraw/zinc/54/88/10/1098548810.db2.gz ASHPZUUKWOQDSH-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([S-])cc1 ZINC001269962798 1098550365 /nfs/dbraw/zinc/55/03/65/1098550365.db2.gz IVOHBMIDYZFKNR-HZPDHXFCSA-N -1 0 330.453 2.757 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccc([S-])cc3)C2)C1=O ZINC001269962858 1098550551 /nfs/dbraw/zinc/55/05/51/1098550551.db2.gz KRWGQOZIWRXCEE-SFHVURJKSA-N -1 0 330.453 2.616 20 30 EFEDRM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001610124373 1098553527 /nfs/dbraw/zinc/55/35/27/1098553527.db2.gz YYQMEDSYZJCBQD-XMMPIXPASA-N -1 0 342.420 2.626 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)cc1C ZINC001610211234 1098571282 /nfs/dbraw/zinc/57/12/82/1098571282.db2.gz KOPSXGMGXNPENQ-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])n2C)cc(OC)c1OC ZINC001610279682 1098599759 /nfs/dbraw/zinc/59/97/59/1098599759.db2.gz JPQVSKADWWSJQX-SOFGYWHQSA-N -1 0 345.351 2.645 20 30 EFEDRM COc1cc(C#N)ccc1CNc1cc2c(cc1C(=O)[O-])OCO2 ZINC001610279688 1098599891 /nfs/dbraw/zinc/59/98/91/1098599891.db2.gz JPTUDRYLXLWYEV-UHFFFAOYSA-N -1 0 326.308 2.606 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OC ZINC001610293894 1098606086 /nfs/dbraw/zinc/60/60/86/1098606086.db2.gz NLSRDCLHHSTQSG-ARJAWSKDSA-N -1 0 347.279 2.799 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(SC[C@H](C)C(=O)[O-])c2c1 ZINC001610306590 1098613039 /nfs/dbraw/zinc/61/30/39/1098613039.db2.gz ODZYSBOFVSHMNS-VIFPVBQESA-N -1 0 332.381 2.936 20 30 EFEDRM COc1ccc(C=NNc2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001610328023 1098623383 /nfs/dbraw/zinc/62/33/83/1098623383.db2.gz KCJDUTKWBWNEFF-UHFFFAOYSA-N -1 0 333.275 2.887 20 30 EFEDRM COc1ccc(C=NNc2cccc(F)c2C(=O)[O-])c(OC)c1OC ZINC001610328402 1098623428 /nfs/dbraw/zinc/62/34/28/1098623428.db2.gz MCLVTBPOOCTKLB-UHFFFAOYSA-N -1 0 348.330 2.996 20 30 EFEDRM COc1cccc(C(=O)/C(=C/c2c[nH]c(C(=O)[O-])c2)c2ncc[nH]2)c1 ZINC001610352919 1098634085 /nfs/dbraw/zinc/63/40/85/1098634085.db2.gz GRZDGWOLDRYAHX-AUWJEWJLSA-N -1 0 337.335 2.868 20 30 EFEDRM COc1cccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001610356045 1098636538 /nfs/dbraw/zinc/63/65/38/1098636538.db2.gz UJTKQNNECAYAHS-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Cl ZINC001610370369 1098644207 /nfs/dbraw/zinc/64/42/07/1098644207.db2.gz BNLFEBGJVGCLFQ-ZDUSSCGKSA-N -1 0 346.726 2.598 20 30 EFEDRM CSc1cc(F)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610383321 1098647223 /nfs/dbraw/zinc/64/72/23/1098647223.db2.gz IBDDZXWAFAPRBL-UHFFFAOYSA-N -1 0 337.376 2.770 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001610397499 1098655043 /nfs/dbraw/zinc/65/50/43/1098655043.db2.gz SMIPZKTWARTAAL-AWEZNQCLSA-N -1 0 348.399 2.641 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001610399230 1098656559 /nfs/dbraw/zinc/65/65/59/1098656559.db2.gz RMDHKRHGVFYRON-LLVKDONJSA-N -1 0 340.335 2.630 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2ccc(Br)cn2)n1C ZINC001610407041 1098660887 /nfs/dbraw/zinc/66/08/87/1098660887.db2.gz HIBYRQZUIUIHLM-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1c2cc(C(=O)/C=C/c3ccn(C)n3)cnc2sc1C(=O)[O-] ZINC001610413819 1098664465 /nfs/dbraw/zinc/66/44/65/1098664465.db2.gz SAXQQCBDBWLZMX-ONEGZZNKSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001610432663 1098673356 /nfs/dbraw/zinc/67/33/56/1098673356.db2.gz LSFVGAWBJNYVEA-UHFFFAOYSA-N -1 0 341.392 2.832 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001610432787 1098673441 /nfs/dbraw/zinc/67/34/41/1098673441.db2.gz NDCXVCNQLWKMJU-UHFFFAOYSA-N -1 0 347.277 2.814 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001610432314 1098673645 /nfs/dbraw/zinc/67/36/45/1098673645.db2.gz ACBSFYIGGYVCOY-UHFFFAOYSA-N -1 0 337.379 2.767 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001610432860 1098673825 /nfs/dbraw/zinc/67/38/25/1098673825.db2.gz OJTVDIWZNAILRO-SFHVURJKSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1cc(C#N)nc(NCc2ccc(C(=O)[O-])cc2Br)n1 ZINC001610435106 1098675171 /nfs/dbraw/zinc/67/51/71/1098675171.db2.gz STTGSYQGUXMHCV-UHFFFAOYSA-N -1 0 347.172 2.730 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ncc1C#N ZINC001610438182 1098676778 /nfs/dbraw/zinc/67/67/78/1098676778.db2.gz MYXPCKTXMGSYHT-UHFFFAOYSA-N -1 0 344.396 2.966 20 30 EFEDRM Cc1cc(C)c2ncc(C#N)c(N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001610453784 1098686311 /nfs/dbraw/zinc/68/63/11/1098686311.db2.gz WYSMXIKWZILWIW-UHFFFAOYSA-N -1 0 334.379 2.918 20 30 EFEDRM Cc1cc(C)c2ncc(C#N)c(N3CCc4[nH]nc(C(=O)[O-])c4C3)c2c1 ZINC001610453792 1098686819 /nfs/dbraw/zinc/68/68/19/1098686819.db2.gz XGXUBEHYWADPLN-UHFFFAOYSA-N -1 0 347.378 2.707 20 30 EFEDRM Cc1cc(/C=C2\CCc3nn(C)cc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001610457411 1098690260 /nfs/dbraw/zinc/69/02/60/1098690260.db2.gz FOONLUBFIQZHPA-RIYZIHGNSA-N -1 0 340.379 2.713 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])s1 ZINC001610476947 1098700218 /nfs/dbraw/zinc/70/02/18/1098700218.db2.gz PAZWKVJJJZMNOZ-UHFFFAOYSA-N -1 0 337.378 2.589 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1COC(=O)COc1ccc(C#N)cc1 ZINC001610486133 1098705838 /nfs/dbraw/zinc/70/58/38/1098705838.db2.gz LELNRHBXATZLMR-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cccc(NC(=S)NN=Cc2cccn2CC(=O)[O-])c1C ZINC001610523844 1098729869 /nfs/dbraw/zinc/72/98/69/1098729869.db2.gz JXPDLQZVIJRRJZ-UHFFFAOYSA-N -1 0 330.413 2.510 20 30 EFEDRM Cc1ccnc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1C#N ZINC001610536674 1098739262 /nfs/dbraw/zinc/73/92/62/1098739262.db2.gz VMIBYPXMXFXYOL-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1[nH]c(C(=O)CSc2nc(C)nc(C)c2C#N)c(C)c1C(=O)[O-] ZINC001610552831 1098747526 /nfs/dbraw/zinc/74/75/26/1098747526.db2.gz KAXSMGPMKXFUBK-UHFFFAOYSA-N -1 0 344.396 2.583 20 30 EFEDRM Cc1nc(Cl)ccc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610556429 1098750833 /nfs/dbraw/zinc/75/08/33/1098750833.db2.gz FQCJAFYWGISPPB-MRXNPFEDSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1nnc(SCC(=O)c2ccc(C(=O)[O-])cc2)c(C#N)c1C ZINC001610574265 1098760488 /nfs/dbraw/zinc/76/04/88/1098760488.db2.gz YESZQYOMMNXOTG-UHFFFAOYSA-N -1 0 327.365 2.638 20 30 EFEDRM N#CC1(CCCOC(=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001610619387 1098786390 /nfs/dbraw/zinc/78/63/90/1098786390.db2.gz KGUQGJVQKYDRLC-UHFFFAOYSA-N -1 0 331.368 2.571 20 30 EFEDRM N#CC1(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CCC1 ZINC001610618250 1098786612 /nfs/dbraw/zinc/78/66/12/1098786612.db2.gz BZDSJPZBKCVCBI-UHFFFAOYSA-N -1 0 341.392 2.818 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001610618390 1098786762 /nfs/dbraw/zinc/78/67/62/1098786762.db2.gz FVHJPOYNVNUIFS-CYBMUJFWSA-N -1 0 332.787 2.587 20 30 EFEDRM N#CCCC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccccc1 ZINC001610621726 1098787298 /nfs/dbraw/zinc/78/72/98/1098787298.db2.gz QEFIGFLMBZXBRQ-AWEZNQCLSA-N -1 0 341.371 2.524 20 30 EFEDRM N#CCC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC001610620509 1098787502 /nfs/dbraw/zinc/78/75/02/1098787502.db2.gz IJHPSMIMTFSYKM-UHFFFAOYSA-N -1 0 337.763 2.619 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001610621671 1098787925 /nfs/dbraw/zinc/78/79/25/1098787925.db2.gz OZROZPHHUDZSOP-UHFFFAOYSA-N -1 0 342.330 2.867 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC001610620761 1098787951 /nfs/dbraw/zinc/78/79/51/1098787951.db2.gz UUSZYSUNEFGGJZ-INIZCTEOSA-N -1 0 338.338 2.937 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC001610622490 1098788431 /nfs/dbraw/zinc/78/84/31/1098788431.db2.gz RKPZUTZGZMJPTI-UHFFFAOYSA-N -1 0 335.319 2.545 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cs1 ZINC001610624780 1098788867 /nfs/dbraw/zinc/78/88/67/1098788867.db2.gz ACCLKXQBOSHCIJ-ZETCQYMHSA-N -1 0 333.394 2.518 20 30 EFEDRM N#CCc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001610624639 1098788993 /nfs/dbraw/zinc/78/89/93/1098788993.db2.gz XTGZBWPQSQXEFF-UHFFFAOYSA-N -1 0 340.291 2.716 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001610623635 1098789355 /nfs/dbraw/zinc/78/93/55/1098789355.db2.gz VQVQVJFEKUEPFF-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001610624181 1098789548 /nfs/dbraw/zinc/78/95/48/1098789548.db2.gz GJESYGSQWYGOQG-UHFFFAOYSA-N -1 0 342.376 2.837 20 30 EFEDRM N#CCOc1cccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001610623692 1098789618 /nfs/dbraw/zinc/78/96/18/1098789618.db2.gz XBELQJPUZAWSQK-UHFFFAOYSA-N -1 0 338.363 2.536 20 30 EFEDRM N#CCc1ccc(CNC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001610624447 1098790033 /nfs/dbraw/zinc/79/00/33/1098790033.db2.gz PPNVSKZPBUIWLS-UHFFFAOYSA-N -1 0 329.400 2.587 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(=O)[nH]c(C3CC3)c2)cccc1C(=O)[O-] ZINC001610625483 1098790437 /nfs/dbraw/zinc/79/04/37/1098790437.db2.gz VVLDIPQWZAEBRB-UHFFFAOYSA-N -1 0 338.319 2.591 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)c1cccc(CC(=O)[O-])c1)CCCC2 ZINC001610625763 1098790535 /nfs/dbraw/zinc/79/05/35/1098790535.db2.gz AYDLZWBPBPCDRI-UHFFFAOYSA-N -1 0 335.363 2.711 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC001610626298 1098790613 /nfs/dbraw/zinc/79/06/13/1098790613.db2.gz QKHKECCJBGQHSP-JTQLQIEISA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc(CC(=O)[O-])c2)cn2ccccc12 ZINC001610625093 1098790680 /nfs/dbraw/zinc/79/06/80/1098790680.db2.gz MPYNKYAEELIEPW-UHFFFAOYSA-N -1 0 334.331 2.795 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1N1CCSC[C@H](C(=O)[O-])C1 ZINC001610626299 1098790723 /nfs/dbraw/zinc/79/07/23/1098790723.db2.gz QKHKECCJBGQHSP-SNVBAGLBSA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)OCc3cccc(C(=O)[O-])n3)CC2)c1 ZINC001610626163 1098790808 /nfs/dbraw/zinc/79/08/08/1098790808.db2.gz OHKQCUFXKFNYEX-UHFFFAOYSA-N -1 0 340.310 2.566 20 30 EFEDRM N#Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c[nH]1 ZINC001610625656 1098791065 /nfs/dbraw/zinc/79/10/65/1098791065.db2.gz VSFGLVABKJMEAD-UHFFFAOYSA-N -1 0 325.349 2.729 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)[nH]1 ZINC001610626821 1098791879 /nfs/dbraw/zinc/79/18/79/1098791879.db2.gz WTEQNQWRKTVPDQ-UHFFFAOYSA-N -1 0 338.367 2.827 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001610627905 1098792069 /nfs/dbraw/zinc/79/20/69/1098792069.db2.gz UQACJKWZEHTVGN-ZDUSSCGKSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001610626848 1098792590 /nfs/dbraw/zinc/79/25/90/1098792590.db2.gz XXKAQOHGIKXPGM-OAHLLOKOSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001610627145 1098792599 /nfs/dbraw/zinc/79/25/99/1098792599.db2.gz ABOYJZMMKXFYKQ-INIZCTEOSA-N -1 0 333.347 2.506 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001610626724 1098792708 /nfs/dbraw/zinc/79/27/08/1098792708.db2.gz QMGMBIIBDYAMEX-OAHLLOKOSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)c3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001610627637 1098792894 /nfs/dbraw/zinc/79/28/94/1098792894.db2.gz NGOAYZOBJLNKMZ-UHFFFAOYSA-N -1 0 333.347 2.581 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN[C@@H](C(=O)[O-])C3CCCCC3)o2)c1 ZINC001610631402 1098793746 /nfs/dbraw/zinc/79/37/46/1098793746.db2.gz ONYHNRLDCDNAHB-MRXNPFEDSA-N -1 0 340.383 2.731 20 30 EFEDRM N#Cc1ccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610628203 1098794292 /nfs/dbraw/zinc/79/42/92/1098794292.db2.gz RLLNJQDDGJMHTF-KRWDZBQOSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001610632639 1098795219 /nfs/dbraw/zinc/79/52/19/1098795219.db2.gz CVHZZUCXSCMOSM-HDJSIYSDSA-N -1 0 346.452 2.799 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001610632184 1098795774 /nfs/dbraw/zinc/79/57/74/1098795774.db2.gz FXBWMDLBWJJLTG-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001610631588 1098795845 /nfs/dbraw/zinc/79/58/45/1098795845.db2.gz FRHQYZOFJGLFAF-INIZCTEOSA-N -1 0 332.359 2.805 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001610631992 1098795855 /nfs/dbraw/zinc/79/58/55/1098795855.db2.gz PEKAOSGLRXXHIJ-SFHVURJKSA-N -1 0 334.331 2.951 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccnn2C2CCCC2)C(=O)[O-])c1 ZINC001610632312 1098795948 /nfs/dbraw/zinc/79/59/48/1098795948.db2.gz VGYJCHXWZAUVJE-MRXNPFEDSA-N -1 0 339.351 2.853 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001610633111 1098796286 /nfs/dbraw/zinc/79/62/86/1098796286.db2.gz YYCXFBUNIKFHIM-UHFFFAOYSA-N -1 0 346.726 2.633 20 30 EFEDRM N#Cc1cnccc1NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001610633972 1098797719 /nfs/dbraw/zinc/79/77/19/1098797719.db2.gz XYQGBLITNGYRQE-KRWDZBQOSA-N -1 0 331.375 2.884 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC001610650774 1098802224 /nfs/dbraw/zinc/80/22/24/1098802224.db2.gz JSIQCTHSJWFOJF-GORDUTHDSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)CC#Cc1ccccc1 ZINC001610652242 1098804088 /nfs/dbraw/zinc/80/40/88/1098804088.db2.gz UUUFFFQKPCFIPF-QGZVFWFLSA-N -1 0 326.323 2.806 20 30 EFEDRM O=C([O-])[C@@H]1CCCC(N=Nc2cc(CO)ccc2Br)C1 ZINC001610740011 1098860587 /nfs/dbraw/zinc/86/05/87/1098860587.db2.gz DOVKZIIWSUHMPN-SNVBAGLBSA-N -1 0 341.205 2.984 20 30 EFEDRM O=C([O-])c1c(F)cccc1N=NCc1nccn1CC(F)(F)F ZINC001610806027 1098901014 /nfs/dbraw/zinc/90/10/14/1098901014.db2.gz HQKVHALWCNTPLB-UHFFFAOYSA-N -1 0 330.241 2.729 20 30 EFEDRM O=C([O-])c1cccc(/C=C2/S/C(=N\C3CCCCC3)NC2=O)n1 ZINC001610886491 1098960189 /nfs/dbraw/zinc/96/01/89/1098960189.db2.gz IONCTRMSMQHORB-UKTHLTGXSA-N -1 0 331.397 2.672 20 30 EFEDRM C[C@@H](c1ccccc1)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001611955565 1099040642 /nfs/dbraw/zinc/04/06/42/1099040642.db2.gz OMXRSNMQDGAQSL-ZDUSSCGKSA-N -1 0 347.374 2.889 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1ccc([S-])cc1 ZINC001270465851 1099117046 /nfs/dbraw/zinc/11/70/46/1099117046.db2.gz RPUOBNRRYJZDGP-IBGZPJMESA-N -1 0 344.480 2.687 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1ccc([S-])cc1 ZINC001270465852 1099117158 /nfs/dbraw/zinc/11/71/58/1099117158.db2.gz RPUOBNRRYJZDGP-LJQANCHMSA-N -1 0 344.480 2.687 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)Cc2ccc([S-])cc2)C1=O ZINC001270466845 1099118912 /nfs/dbraw/zinc/11/89/12/1099118912.db2.gz XLFLJWDBJKFBBO-LJQANCHMSA-N -1 0 344.480 2.687 20 30 EFEDRM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001143579508 1099561497 /nfs/dbraw/zinc/56/14/97/1099561497.db2.gz LZMFNBNUZRYHRH-JTQLQIEISA-N -1 0 343.314 2.979 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1F ZINC001626519934 1099884623 /nfs/dbraw/zinc/88/46/23/1099884623.db2.gz XLCFRTHQPGAUBX-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM N#CCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(F)cc1 ZINC001627033222 1099950003 /nfs/dbraw/zinc/95/00/03/1099950003.db2.gz YLAXWIUTTCQFAC-UHFFFAOYSA-N -1 0 326.287 2.628 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000042234306 1100077881 /nfs/dbraw/zinc/07/78/81/1100077881.db2.gz GECHZDUFQQLNAA-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001641686107 1101156790 /nfs/dbraw/zinc/15/67/90/1101156790.db2.gz CEAKJVCLIHDEHV-UHFFFAOYSA-N -1 0 347.378 2.768 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cc1[O-] ZINC000785409035 1101283303 /nfs/dbraw/zinc/28/33/03/1101283303.db2.gz UKZYNTJRHIDDJR-UHFFFAOYSA-N -1 0 349.346 2.560 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c2c1CCC2 ZINC001227315207 1101324138 /nfs/dbraw/zinc/32/41/38/1101324138.db2.gz MXUFCFAZHZLCPV-NSHDSACASA-N -1 0 346.832 2.667 20 30 EFEDRM CC(C)(C)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000588386097 1101606126 /nfs/dbraw/zinc/60/61/26/1101606126.db2.gz RIXBPAVPWYBATG-FLIBITNWSA-N -1 0 334.441 2.747 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000780366966 1102400816 /nfs/dbraw/zinc/40/08/16/1102400816.db2.gz WYMRGTLXLIZSRM-SFHVURJKSA-N -1 0 347.374 2.967 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000748131607 1102665514 /nfs/dbraw/zinc/66/55/14/1102665514.db2.gz LEBOFCZYLYMFNM-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748132144 1102686085 /nfs/dbraw/zinc/68/60/85/1102686085.db2.gz QUPHORMRBYNTNZ-PWSUYJOCSA-N -1 0 336.417 2.677 20 30 EFEDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000076755876 1102939425 /nfs/dbraw/zinc/93/94/25/1102939425.db2.gz HUKKZJXTXQRMRS-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2scc(C(C)(C)C)c2C#N)n1C ZINC000906066242 1103876138 /nfs/dbraw/zinc/87/61/38/1103876138.db2.gz JVHLSDZOSPILQE-UHFFFAOYSA-N -1 0 338.458 2.760 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000906073402 1103904641 /nfs/dbraw/zinc/90/46/41/1103904641.db2.gz CAQNUUNKQBPOPL-VHSXEESVSA-N -1 0 328.459 2.694 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)cn1 ZINC000906075023 1103904910 /nfs/dbraw/zinc/90/49/10/1103904910.db2.gz YKJYEWXKXHLKGN-UHFFFAOYSA-N -1 0 336.442 2.687 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)CCCCF)sc2C1 ZINC000906075940 1103906454 /nfs/dbraw/zinc/90/64/54/1103906454.db2.gz QRSARZKEGJOGOZ-SNVBAGLBSA-N -1 0 346.449 2.615 20 30 EFEDRM COc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000127858589 1106073843 /nfs/dbraw/zinc/07/38/43/1106073843.db2.gz VKOUGYZUSHFZOE-CYBMUJFWSA-N -1 0 339.307 2.565 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000191257038 1106448698 /nfs/dbraw/zinc/44/86/98/1106448698.db2.gz JPWZNQVWTNEYST-UHFFFAOYSA-N -1 0 332.400 2.692 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)cn1 ZINC000091699294 1106659340 /nfs/dbraw/zinc/65/93/40/1106659340.db2.gz BDPREYSKTCLHOS-UHFFFAOYSA-N -1 0 338.360 2.621 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000191270185 1108047109 /nfs/dbraw/zinc/04/71/09/1108047109.db2.gz RWLIHXTYLAYPJP-BQYQJAHWSA-N -1 0 329.274 2.698 20 30 EFEDRM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1F ZINC001272388482 1108159024 /nfs/dbraw/zinc/15/90/24/1108159024.db2.gz JZAAAUIDZWHKAQ-LJQANCHMSA-N -1 0 346.402 2.705 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2cn3c(n2)CCCC3)c1)C(=O)[O-] ZINC000905074394 1108396793 /nfs/dbraw/zinc/39/67/93/1108396793.db2.gz NTILOYQGKDESHK-MMQHEFTJSA-N -1 0 340.379 2.967 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176399736 1108455607 /nfs/dbraw/zinc/45/56/07/1108455607.db2.gz QMRHLLXDZVYNJK-UHFFFAOYSA-N -1 0 337.383 2.562 20 30 EFEDRM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176407852 1108459719 /nfs/dbraw/zinc/45/97/19/1108459719.db2.gz NRVBNQKGXBNAMG-GOSISDBHSA-N -1 0 349.390 2.738 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccncc1 ZINC000780575759 1108654026 /nfs/dbraw/zinc/65/40/26/1108654026.db2.gz FVDOWHMWNPNTNQ-SJORKVTESA-N -1 0 339.395 2.694 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000899226606 1109251639 /nfs/dbraw/zinc/25/16/39/1109251639.db2.gz VKUVMFKMQSFEBD-KXKLRXOYSA-N -1 0 331.294 2.746 20 30 EFEDRM CCn1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c(C)n1 ZINC000899351027 1109296722 /nfs/dbraw/zinc/29/67/22/1109296722.db2.gz XHMBACNSZUWJFM-YXVBKTCISA-N -1 0 328.368 2.959 20 30 EFEDRM CC(C)c1cccc2c1OC/C(=C\c1cc(C(=O)[O-])nn1C)C2=O ZINC000899363463 1109297247 /nfs/dbraw/zinc/29/72/47/1109297247.db2.gz CJEUAHGOBWABPH-YRNVUSSQSA-N -1 0 326.352 2.900 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cnn1C ZINC000042232975 1109348209 /nfs/dbraw/zinc/34/82/09/1109348209.db2.gz DFIPAOVADTUIFV-UHFFFAOYSA-N -1 0 329.381 2.575 20 30 EFEDRM CC[C@@H](Sc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000842323278 1109447014 /nfs/dbraw/zinc/44/70/14/1109447014.db2.gz ILZILFVJAPPMHG-UONOGXRCSA-N -1 0 327.409 2.883 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000842323664 1109447396 /nfs/dbraw/zinc/44/73/96/1109447396.db2.gz OWDBEVXNCNIHFO-KBPBESRZSA-N -1 0 337.379 2.657 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899771628 1109473808 /nfs/dbraw/zinc/47/38/08/1109473808.db2.gz STRQLYOAYYNZPN-ISNZEAQHSA-N -1 0 341.407 2.781 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c2ccccc12 ZINC000842334333 1109517095 /nfs/dbraw/zinc/51/70/95/1109517095.db2.gz VXJLGICUWPEBFV-UHFFFAOYSA-N -1 0 328.393 2.512 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c2ccccc12 ZINC000842340191 1109520750 /nfs/dbraw/zinc/52/07/50/1109520750.db2.gz QDZIYFKYQJINHD-UHFFFAOYSA-N -1 0 342.420 2.902 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176539740 1111130934 /nfs/dbraw/zinc/13/09/34/1111130934.db2.gz MNJXPOHMSHKQJI-QGZVFWFLSA-N -1 0 349.390 2.627 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccnc2Sc2ccccc2)[n-]c1C#N ZINC000914532696 1111241307 /nfs/dbraw/zinc/24/13/07/1111241307.db2.gz RWHKQIATJAYLCX-UHFFFAOYSA-N -1 0 346.375 2.952 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000916755300 1111982619 /nfs/dbraw/zinc/98/26/19/1111982619.db2.gz HAYSFPMYZCJPEG-UHFFFAOYSA-N -1 0 331.393 2.679 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)cc1 ZINC000916877877 1111994419 /nfs/dbraw/zinc/99/44/19/1111994419.db2.gz YCQBAHVTVIAPGI-KRWDZBQOSA-N -1 0 338.411 2.560 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(Cc2ccccc2)nc1C ZINC000916920574 1111997515 /nfs/dbraw/zinc/99/75/15/1111997515.db2.gz HJJDARZHWIKQMN-AWEZNQCLSA-N -1 0 339.420 2.667 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000916921595 1111998046 /nfs/dbraw/zinc/99/80/46/1111998046.db2.gz VVRHOCOGLCSZEG-LRDDRELGSA-N -1 0 335.407 2.917 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000181289030 1113069455 /nfs/dbraw/zinc/06/94/55/1113069455.db2.gz MORGDQRTTPIIEL-UHFFFAOYSA-N -1 0 344.436 2.912 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184565261 1119204789 /nfs/dbraw/zinc/20/47/89/1119204789.db2.gz RNHZINOWDUTFAD-JTQLQIEISA-N -1 0 327.296 2.844 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(O)c(F)c1F ZINC001272725161 1119538992 /nfs/dbraw/zinc/53/89/92/1119538992.db2.gz XJJKRJMYPVYLSO-GOSISDBHSA-N -1 0 336.382 2.813 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1COc2ccccc21 ZINC000073087245 1120534662 /nfs/dbraw/zinc/53/46/62/1120534662.db2.gz RHBGIEXKBRKGKR-AWEZNQCLSA-N -1 0 335.356 2.788 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(Br)cc1C ZINC000131216895 1120623331 /nfs/dbraw/zinc/62/33/31/1120623331.db2.gz DWCZWGPOFLHMIS-GFCCVEGCSA-N -1 0 335.201 2.691 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)nc1 ZINC000051953471 214110283 /nfs/dbraw/zinc/11/02/83/214110283.db2.gz SYKPJNGWXXKVEP-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1C(C)C ZINC000052557304 214134492 /nfs/dbraw/zinc/13/44/92/214134492.db2.gz GNGMOPLSWKBONT-GFCCVEGCSA-N -1 0 337.383 2.991 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000191842422 529526545 /nfs/dbraw/zinc/52/65/45/529526545.db2.gz KBVPSSSYMVSCSK-UHFFFAOYSA-N -1 0 342.424 2.897 20 30 EFEDRM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000101638808 219149654 /nfs/dbraw/zinc/14/96/54/219149654.db2.gz GGKPLODFUPRARH-UHFFFAOYSA-N -1 0 349.394 2.953 20 30 EFEDRM CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000069370805 215391060 /nfs/dbraw/zinc/39/10/60/215391060.db2.gz GYWSICPTFAUERX-JXMROGBWSA-N -1 0 345.376 2.652 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2cncc(C#N)c2)c1C(C)C ZINC000357086639 282986197 /nfs/dbraw/zinc/98/61/97/282986197.db2.gz MOQBRJSFKOSSEQ-UHFFFAOYSA-N -1 0 347.444 2.874 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182568712 234673175 /nfs/dbraw/zinc/67/31/75/234673175.db2.gz FNTULJVKVOXZMJ-UHFFFAOYSA-N -1 0 345.428 2.764 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1C ZINC000414436452 535379424 /nfs/dbraw/zinc/37/94/24/535379424.db2.gz AMSWEFGAEWFVFT-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2cccc(CC#N)c2)C(=O)[O-])c1 ZINC000262496067 240357667 /nfs/dbraw/zinc/35/76/67/240357667.db2.gz MUZUERINQMBGIW-SFHVURJKSA-N -1 0 336.391 2.734 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000262513477 240360617 /nfs/dbraw/zinc/36/06/17/240360617.db2.gz PILILCXSFUKOQR-CQSZACIVSA-N -1 0 335.400 2.737 20 30 EFEDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130397903 223149062 /nfs/dbraw/zinc/14/90/62/223149062.db2.gz ISFQEQUUCIZCDZ-VIFPVBQESA-N -1 0 347.300 2.989 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1OC ZINC000026529458 212523877 /nfs/dbraw/zinc/52/38/77/212523877.db2.gz NAAAVHFFGCFWKJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000191280318 239011813 /nfs/dbraw/zinc/01/18/13/239011813.db2.gz VRRQDAXCIPBFHC-ZDUSSCGKSA-N -1 0 330.384 2.571 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000175009006 239252041 /nfs/dbraw/zinc/25/20/41/239252041.db2.gz QGKMXDALRGOPCF-UHFFFAOYSA-N -1 0 326.377 2.878 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cn1 ZINC000175972067 239295822 /nfs/dbraw/zinc/29/58/22/239295822.db2.gz ZHRYRTVNFRZGGD-UHFFFAOYSA-N -1 0 340.364 2.773 20 30 EFEDRM O=C([N-]Cc1ccnc(OCC(F)(F)F)c1)C(F)(F)C(F)F ZINC000175987463 239296496 /nfs/dbraw/zinc/29/64/96/239296496.db2.gz MVYOWJQFHYSWCK-UHFFFAOYSA-N -1 0 334.191 2.539 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Br)c2)C(=O)O1 ZINC000023640461 212387066 /nfs/dbraw/zinc/38/70/66/212387066.db2.gz ZOALIJLVCRHSJJ-VBROQKIQSA-N -1 0 335.153 2.677 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)CO2 ZINC000022958210 212339259 /nfs/dbraw/zinc/33/92/59/212339259.db2.gz SROHXTBICWSERG-MDWZMJQESA-N -1 0 340.331 2.817 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000194627410 240167407 /nfs/dbraw/zinc/16/74/07/240167407.db2.gz KSBLTZJUZQIWMB-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194717501 240173153 /nfs/dbraw/zinc/17/31/53/240173153.db2.gz LRTFPLNDFCBJDS-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)cc3)o2)s1 ZINC000194837626 240181988 /nfs/dbraw/zinc/18/19/88/240181988.db2.gz GPZLYFDXMZMOMN-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM CCOc1ccc(C[C@H](CNC(=O)C2(C#N)CCCC2)C(=O)[O-])cc1 ZINC000236993217 240239521 /nfs/dbraw/zinc/23/95/21/240239521.db2.gz PPVHSEMDDSXBFQ-OAHLLOKOSA-N -1 0 344.411 2.529 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC000262801014 240370579 /nfs/dbraw/zinc/37/05/79/240370579.db2.gz CRKYYYRGEXNWMJ-MRXNPFEDSA-N -1 0 327.380 3.000 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC000262788920 240370638 /nfs/dbraw/zinc/37/06/38/240370638.db2.gz BQHMEXZPJVUMID-INIZCTEOSA-N -1 0 339.395 2.899 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)c(OCC)c(OC)c1)C(=O)[O-] ZINC000262851349 240371871 /nfs/dbraw/zinc/37/18/71/240371871.db2.gz HVNILINLKGIODC-GFCCVEGCSA-N -1 0 341.791 2.897 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1)C(=O)[O-] ZINC000262899966 240372214 /nfs/dbraw/zinc/37/22/14/240372214.db2.gz MELFWBXCJFYIJI-HNNXBMFYSA-N -1 0 345.374 2.777 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000262899814 240372527 /nfs/dbraw/zinc/37/25/27/240372527.db2.gz ZVBLMDXPNHGNPR-GOSISDBHSA-N -1 0 336.391 2.959 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000262899816 240372660 /nfs/dbraw/zinc/37/26/60/240372660.db2.gz ZVBLMDXPNHGNPR-SFHVURJKSA-N -1 0 336.391 2.959 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC000262940774 240373823 /nfs/dbraw/zinc/37/38/23/240373823.db2.gz PVSNJPRXGHZWAF-AWEZNQCLSA-N -1 0 346.358 2.949 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000262919126 240374448 /nfs/dbraw/zinc/37/44/48/240374448.db2.gz NUOJPPURROQXJD-GFCCVEGCSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000262969532 240374521 /nfs/dbraw/zinc/37/45/21/240374521.db2.gz JVVREAHTKXMNEO-SQNIBIBYSA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC000262970817 240374676 /nfs/dbraw/zinc/37/46/76/240374676.db2.gz JXEZOHZLPMKLIG-YOEHRIQHSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000262969529 240374897 /nfs/dbraw/zinc/37/48/97/240374897.db2.gz JVVREAHTKXMNEO-BZSNNMDCSA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262973666 240374988 /nfs/dbraw/zinc/37/49/88/240374988.db2.gz KCKZBINHTCAOIV-SQNIBIBYSA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262988815 240375297 /nfs/dbraw/zinc/37/52/97/240375297.db2.gz LGKBDHJSFMXOBM-ZANVPECISA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000263011174 240376674 /nfs/dbraw/zinc/37/66/74/240376674.db2.gz NDMCNRHDOMUJMD-OAHLLOKOSA-N -1 0 349.452 2.864 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)ccc1OCCC)C(=O)[O-] ZINC000263047747 240376700 /nfs/dbraw/zinc/37/67/00/240376700.db2.gz PSNBSQUNPKUNHX-CYBMUJFWSA-N -1 0 341.791 2.514 20 30 EFEDRM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)nn1CCC#N ZINC000263035922 240376865 /nfs/dbraw/zinc/37/68/65/240376865.db2.gz LDJRABSXJOSITD-UHFFFAOYSA-N -1 0 341.371 2.766 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000263025250 240376911 /nfs/dbraw/zinc/37/69/11/240376911.db2.gz OCWXURYWEDXJMQ-GOSISDBHSA-N -1 0 341.407 2.935 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000263005227 240377308 /nfs/dbraw/zinc/37/73/08/240377308.db2.gz WRPQUZZXPUWQGC-OAHLLOKOSA-N -1 0 344.436 2.812 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)[O-] ZINC000263042346 240377385 /nfs/dbraw/zinc/37/73/85/240377385.db2.gz ZTWDBMWLIILTIH-HNNXBMFYSA-N -1 0 328.368 2.701 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000263029215 240377913 /nfs/dbraw/zinc/37/79/13/240377913.db2.gz YTLFVMIMKGTZQS-OAHLLOKOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263025307 240378176 /nfs/dbraw/zinc/37/81/76/240378176.db2.gz ODKAKBGUGOPLMZ-WFASDCNBSA-N -1 0 339.819 2.681 20 30 EFEDRM N#CCC[C@@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000263203468 240380392 /nfs/dbraw/zinc/38/03/92/240380392.db2.gz HUBNYWSADZNLMA-FRQCXROJSA-N -1 0 341.411 2.928 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000263144228 240381298 /nfs/dbraw/zinc/38/12/98/240381298.db2.gz WVSIIQIJCOVKPQ-LBPRGKRZSA-N -1 0 343.832 2.594 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000263374229 240382818 /nfs/dbraw/zinc/38/28/18/240382818.db2.gz WIJKHORHKIKFPH-BMFZPTHFSA-N -1 0 329.400 2.784 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000263423562 240383020 /nfs/dbraw/zinc/38/30/20/240383020.db2.gz XJOUQHARTJVUBI-QMTHXVAHSA-N -1 0 326.343 2.944 20 30 EFEDRM N#C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000263443584 240383334 /nfs/dbraw/zinc/38/33/34/240383334.db2.gz FGDDRAGSXUOWDF-IBGZPJMESA-N -1 0 335.407 2.595 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c(OC)c1 ZINC000263387334 240383668 /nfs/dbraw/zinc/38/36/68/240383668.db2.gz YFWGUOOYKKALPJ-ZFWWWQNUSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000263514926 240384773 /nfs/dbraw/zinc/38/47/73/240384773.db2.gz DJMONMNXANUDQA-ZDUSSCGKSA-N -1 0 345.317 2.706 20 30 EFEDRM C=CCNC(=O)C[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000302065770 241191772 /nfs/dbraw/zinc/19/17/72/241191772.db2.gz UGBDIFAZOPIRKP-UHFFFAOYSA-N -1 0 327.171 2.758 20 30 EFEDRM Cc1nc([C@H]2CCCOC2)sc1C([O-])=Nc1cccn(C)c1=O ZINC000328899265 241264291 /nfs/dbraw/zinc/26/42/91/241264291.db2.gz YUCAXDRHDPJCBQ-NSHDSACASA-N -1 0 333.413 2.681 20 30 EFEDRM O=C(CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])NC1CCCC1 ZINC000328695573 241221975 /nfs/dbraw/zinc/22/19/75/241221975.db2.gz TVUKRAOMJTZXCU-CFVMTHIKSA-N -1 0 336.432 2.910 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCO[C@@H]3CCC[C@H]32)s[n-]1 ZINC000328988722 241282962 /nfs/dbraw/zinc/28/29/62/241282962.db2.gz UVEKZGSRZXDHKB-NXEZZACHSA-N -1 0 328.463 2.839 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)NCCC2(O)CCC2)s[n-]1 ZINC000329067696 241296104 /nfs/dbraw/zinc/29/61/04/241296104.db2.gz XEEBSTWURFQRLJ-UHFFFAOYSA-N -1 0 338.458 2.628 20 30 EFEDRM [O-]C(=Nc1nc2ccsc2s1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329448110 241373734 /nfs/dbraw/zinc/37/37/34/241373734.db2.gz MIBMUTWLGNZLSN-QWRGUYRKSA-N -1 0 339.442 2.783 20 30 EFEDRM CC[C@@H]1C[C@H](C([O-])=Nc2cncc(-c3nncn3C)c2)CC(=O)N1 ZINC000329590701 241401654 /nfs/dbraw/zinc/40/16/54/241401654.db2.gz NPLBNPNGBBBDKV-CMPLNLGQSA-N -1 0 328.376 2.610 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1)c1ccccc1 ZINC000352191767 241922571 /nfs/dbraw/zinc/92/25/71/241922571.db2.gz ISDCKQBZVHAVHO-UHFFFAOYSA-N -1 0 345.420 2.939 20 30 EFEDRM Cc1ccc(S(=O)(=O)NCC(C)(C)CCC#N)c(C)c1C(=O)[O-] ZINC000352194685 241922832 /nfs/dbraw/zinc/92/28/32/241922832.db2.gz ZBJVUEYWBXVATF-UHFFFAOYSA-N -1 0 338.429 2.610 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355893931 242051920 /nfs/dbraw/zinc/05/19/20/242051920.db2.gz XRVIOZQAOLLRCY-UHFFFAOYSA-N -1 0 346.408 2.961 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000355468057 242035114 /nfs/dbraw/zinc/03/51/14/242035114.db2.gz BBSGVELYQPNLBD-UHFFFAOYSA-N -1 0 347.820 2.634 20 30 EFEDRM C=CCN(C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1)C1CC1 ZINC000357868122 242107400 /nfs/dbraw/zinc/10/74/00/242107400.db2.gz PQFFXUOOOSUJAN-UHFFFAOYSA-N -1 0 332.404 2.872 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000359257782 242147547 /nfs/dbraw/zinc/14/75/47/242147547.db2.gz WYKAIYPFQNVLFW-UHFFFAOYSA-N -1 0 326.404 2.938 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCC(C)(C)CCC#N ZINC000358681406 242130471 /nfs/dbraw/zinc/13/04/71/242130471.db2.gz HXAITSTYXXWTDY-UHFFFAOYSA-N -1 0 347.444 2.868 20 30 EFEDRM C=CCN=c1[n-]nc(SCCc2ccc3c(c2)OCCO3)s1 ZINC000359820873 242169751 /nfs/dbraw/zinc/16/97/51/242169751.db2.gz NMEZCAXCHWMBMP-UHFFFAOYSA-N -1 0 335.454 2.664 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1Sc1nccn1C ZINC000360219303 242190064 /nfs/dbraw/zinc/19/00/64/242190064.db2.gz UBAHEPXWVLPTIS-NSHDSACASA-N -1 0 336.442 2.615 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000361809649 242234090 /nfs/dbraw/zinc/23/40/90/242234090.db2.gz RECAAQNKJAUAFV-CYBMUJFWSA-N -1 0 346.374 2.773 20 30 EFEDRM N#CCc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC000361915040 242235823 /nfs/dbraw/zinc/23/58/23/242235823.db2.gz GYBPNJNTQBEVFR-UHFFFAOYSA-N -1 0 330.347 2.959 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(OCC(=O)[O-])c1)CO2 ZINC000363537016 242277546 /nfs/dbraw/zinc/27/75/46/242277546.db2.gz ULHCONKBCWFPJK-NTUHNPAUSA-N -1 0 340.331 2.817 20 30 EFEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362116626 242243437 /nfs/dbraw/zinc/24/34/37/242243437.db2.gz HOFDKJMCMMANQU-NSHDSACASA-N -1 0 345.284 2.872 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1cc(C(F)(F)F)ccn1 ZINC000362134172 242244934 /nfs/dbraw/zinc/24/49/34/242244934.db2.gz ACGMCPDVCNEKGY-JTQLQIEISA-N -1 0 331.257 2.633 20 30 EFEDRM N#CC1(c2ccccn2)CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000367092864 242374444 /nfs/dbraw/zinc/37/44/44/242374444.db2.gz QGIGGINICOCVHJ-UHFFFAOYSA-N -1 0 325.343 2.624 20 30 EFEDRM COC(=O)c1sc(NC(=O)c2ccc(C#N)c([O-])c2)nc1C(C)C ZINC000412390250 243301714 /nfs/dbraw/zinc/30/17/14/243301714.db2.gz ILPOBGIZBMDZBA-UHFFFAOYSA-N -1 0 345.380 2.883 20 30 EFEDRM C[C@](CC(=O)NCC1(CC#N)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414106015 244007920 /nfs/dbraw/zinc/00/79/20/244007920.db2.gz WVGCITWRZZSTEH-MRXNPFEDSA-N -1 0 334.803 2.882 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000414343044 244098430 /nfs/dbraw/zinc/09/84/30/244098430.db2.gz XRENBWWRSZFUQM-UHFFFAOYSA-N -1 0 347.820 2.537 20 30 EFEDRM C=CCOc1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1OC ZINC000262787835 245178870 /nfs/dbraw/zinc/17/88/70/245178870.db2.gz BPAXAXXQTDBROA-UHFFFAOYSA-N -1 0 333.384 2.777 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000263287267 245383065 /nfs/dbraw/zinc/38/30/65/245383065.db2.gz PZDDKVMSSZDGDF-OCCSQVGLSA-N -1 0 335.400 2.938 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1OC(C)C ZINC000110121944 220017677 /nfs/dbraw/zinc/01/76/77/220017677.db2.gz QUWZUCQUYDCXRO-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CCC1(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCC1 ZINC000263547684 245446323 /nfs/dbraw/zinc/44/63/23/245446323.db2.gz UVEALOINKUSOGC-UHFFFAOYSA-N -1 0 326.356 2.650 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000421806711 246124204 /nfs/dbraw/zinc/12/42/04/246124204.db2.gz MLMGHYNNPVXPFR-ZJUUUORDSA-N -1 0 336.413 2.705 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000422626689 246408478 /nfs/dbraw/zinc/40/84/78/246408478.db2.gz KPLXHNZJQSEEKK-ZDUSSCGKSA-N -1 0 332.400 2.503 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000422534518 246378975 /nfs/dbraw/zinc/37/89/75/246378975.db2.gz AWUHMXNLTPPHNT-PWSUYJOCSA-N -1 0 335.791 2.981 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000422534519 246379514 /nfs/dbraw/zinc/37/95/14/246379514.db2.gz AWUHMXNLTPPHNT-ZYHUDNBSSA-N -1 0 335.791 2.981 20 30 EFEDRM C=CCCn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1 ZINC000425263660 247021811 /nfs/dbraw/zinc/02/18/11/247021811.db2.gz LWMZRTXJCMRPAG-NSHDSACASA-N -1 0 335.289 2.758 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(Cc3ccccc3F)s2)C1 ZINC000425660470 247160573 /nfs/dbraw/zinc/16/05/73/247160573.db2.gz XRRYZVQZNPYLNS-CMPLNLGQSA-N -1 0 345.403 2.504 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000425683817 247166852 /nfs/dbraw/zinc/16/68/52/247166852.db2.gz MIHWBWQQSMULDD-WDEREUQCSA-N -1 0 345.428 2.764 20 30 EFEDRM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2nn1C ZINC000427299907 247335116 /nfs/dbraw/zinc/33/51/16/247335116.db2.gz AMSQHHYONGLHOB-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427294930 247335502 /nfs/dbraw/zinc/33/55/02/247335502.db2.gz HNSHUJTXBONXSF-JTQLQIEISA-N -1 0 334.376 2.802 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1F ZINC000427305658 247335858 /nfs/dbraw/zinc/33/58/58/247335858.db2.gz WEYLDYZWBYAKCV-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000429576025 247656368 /nfs/dbraw/zinc/65/63/68/247656368.db2.gz FURAXKIFFUBHJT-SECBINFHSA-N -1 0 340.364 2.605 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)NCC3(CC#N)CC3)s2)cc1 ZINC000431114957 247872288 /nfs/dbraw/zinc/87/22/88/247872288.db2.gz OARFVFQBVSRONL-UHFFFAOYSA-N -1 0 341.440 2.675 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435472880 248244891 /nfs/dbraw/zinc/24/48/91/248244891.db2.gz GZKIVYZVRDGKEB-UHFFFAOYSA-N -1 0 330.337 2.707 20 30 EFEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)n[nH]1 ZINC000435484668 248245492 /nfs/dbraw/zinc/24/54/92/248245492.db2.gz XXDZIMYVDNMUID-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)nn1-c1ccccc1 ZINC000435507332 248247150 /nfs/dbraw/zinc/24/71/50/248247150.db2.gz ZTMMJBOCGHZTLW-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436826574 249606894 /nfs/dbraw/zinc/60/68/94/249606894.db2.gz KWOAWOLHAZVKFA-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM CN=c1[n-]nc(SCc2ccc(C#N)cc2OC(F)F)s1 ZINC000439529297 249837311 /nfs/dbraw/zinc/83/73/11/249837311.db2.gz MYUNUDNVOGGJDL-UHFFFAOYSA-N -1 0 328.369 2.767 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1 ZINC000442112328 250066915 /nfs/dbraw/zinc/06/69/15/250066915.db2.gz PSDHGAFLCCHNOX-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM COc1cc(CN=c2[n-]nc(Cc3ccsc3)o2)ccc1C#N ZINC000443062681 250155234 /nfs/dbraw/zinc/15/52/34/250155234.db2.gz UYRKCNKUDYBGKP-UHFFFAOYSA-N -1 0 326.381 2.636 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000443142988 250163456 /nfs/dbraw/zinc/16/34/56/250163456.db2.gz BFKJJEBLXBTATR-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443415830 250193036 /nfs/dbraw/zinc/19/30/36/250193036.db2.gz RQKQXTBSYYSXHP-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CCN=c1[n-]nc(Sc2ccc(C(F)(F)F)c(C#N)n2)s1 ZINC000443441065 250194920 /nfs/dbraw/zinc/19/49/20/250194920.db2.gz WFLTTZYOVYFYGC-UHFFFAOYSA-N -1 0 331.348 2.828 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1F ZINC000446618522 250514614 /nfs/dbraw/zinc/51/46/14/250514614.db2.gz WFQPEFPQEFJOQC-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc21 ZINC000447787596 250607817 /nfs/dbraw/zinc/60/78/17/250607817.db2.gz KWMRZGHYIPOSPY-INIZCTEOSA-N -1 0 344.392 2.829 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000095447373 218390460 /nfs/dbraw/zinc/39/04/60/218390460.db2.gz QKJGIJQMRZWCRG-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1c(OC)ccc(SC)c1OC)C(=O)[O-] ZINC000448996220 250872230 /nfs/dbraw/zinc/87/22/30/250872230.db2.gz RTDYIXDFOSEATC-SNVBAGLBSA-N -1 0 339.413 2.575 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)[C@H](C)C3)cc2[n-]c1=S ZINC000267631075 251207614 /nfs/dbraw/zinc/20/76/14/251207614.db2.gz JOSRVZUYVRPSQL-TXEJJXNPSA-N -1 0 343.452 2.599 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000236900107 285054577 /nfs/dbraw/zinc/05/45/77/285054577.db2.gz LFZROHBERRYXTL-GFCCVEGCSA-N -1 0 338.429 2.678 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c(C)c1 ZINC000177299959 533073763 /nfs/dbraw/zinc/07/37/63/533073763.db2.gz JRQOANQAVZVQIS-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM C#CCN(C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1)C1CCCC1 ZINC000262218671 533086481 /nfs/dbraw/zinc/08/64/81/533086481.db2.gz WWUZUZCIOOYYLU-UHFFFAOYSA-N -1 0 345.395 2.567 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C#N)c2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460562328 255956485 /nfs/dbraw/zinc/95/64/85/255956485.db2.gz HSVMBBVNSXPRRU-UHFFFAOYSA-N -1 0 333.399 2.898 20 30 EFEDRM COCCOc1ccc(F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188499404 269741852 /nfs/dbraw/zinc/74/18/52/269741852.db2.gz UKZURNKGBIRFBK-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM CS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041547110 533455072 /nfs/dbraw/zinc/45/50/72/533455072.db2.gz VHLOJNLKTBXNPH-ZDUSSCGKSA-N -1 0 340.360 2.721 20 30 EFEDRM CC[C@H](C)[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000263403252 141390967 /nfs/dbraw/zinc/39/09/67/141390967.db2.gz JQAMFPQTODFOBO-VFZGTOFNSA-N -1 0 328.328 2.926 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000320471723 141492754 /nfs/dbraw/zinc/49/27/54/141492754.db2.gz QXIXIYACCXZSSG-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)CNS(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000344764078 142074463 /nfs/dbraw/zinc/07/44/63/142074463.db2.gz NVUIARVSWDMRJY-UHFFFAOYSA-N -1 0 346.408 2.610 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000346009225 142132572 /nfs/dbraw/zinc/13/25/72/142132572.db2.gz YBFRWWJWANDWCB-CJNGLKHVSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000346009229 142132913 /nfs/dbraw/zinc/13/29/13/142132913.db2.gz YBFRWWJWANDWCB-XJKSGUPXSA-N -1 0 344.411 2.865 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000350313674 142416069 /nfs/dbraw/zinc/41/60/69/142416069.db2.gz BIAPEHWTQSUUQS-UHFFFAOYSA-N -1 0 336.804 2.839 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1-c1ccc(C)cc1 ZINC000340941503 144957570 /nfs/dbraw/zinc/95/75/70/144957570.db2.gz QXHQKOBHTYEJJH-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM N#Cc1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)ccc1F ZINC000341147240 145001597 /nfs/dbraw/zinc/00/15/97/145001597.db2.gz OAMAZSBHQLCYMG-UHFFFAOYSA-N -1 0 338.367 2.814 20 30 EFEDRM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000342448609 145128740 /nfs/dbraw/zinc/12/87/40/145128740.db2.gz OFPIFNDINXYSDG-UHFFFAOYSA-N -1 0 325.777 2.671 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(F)c1 ZINC000342609927 145159026 /nfs/dbraw/zinc/15/90/26/145159026.db2.gz WQYUHGFULCIKIL-UHFFFAOYSA-N -1 0 334.347 2.804 20 30 EFEDRM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000342772177 145189085 /nfs/dbraw/zinc/18/90/85/145189085.db2.gz AJVPLANZHINJOW-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nccc(C#N)c1Cl ZINC000342851601 145208879 /nfs/dbraw/zinc/20/88/79/145208879.db2.gz QRKQELYZADHGRJ-UHFFFAOYSA-N -1 0 331.788 2.953 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c([N+](=O)[O-])c1 ZINC000343784907 145294182 /nfs/dbraw/zinc/29/41/82/145294182.db2.gz FFIPHDZQYPDRRN-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2C)ccc1C(=O)[O-] ZINC000350895317 146099458 /nfs/dbraw/zinc/09/94/58/146099458.db2.gz KMOGKPOCWHQDBL-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000351304637 146120718 /nfs/dbraw/zinc/12/07/18/146120718.db2.gz QCYGHTPREJLWLQ-UHFFFAOYSA-N -1 0 347.334 2.591 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000351676764 146175167 /nfs/dbraw/zinc/17/51/67/146175167.db2.gz QFBSGUGEAAKBJO-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COc1ccc(C(=O)COc2ccc(C#N)c(F)c2)c2occ([O-])c21 ZINC000351693281 146179593 /nfs/dbraw/zinc/17/95/93/146179593.db2.gz KARDBCSLCHZNFD-UHFFFAOYSA-N -1 0 341.294 2.543 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(Br)s1 ZINC000352140228 146299253 /nfs/dbraw/zinc/29/92/53/146299253.db2.gz JWOQHCMMPBNJKJ-UHFFFAOYSA-N -1 0 336.174 2.538 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000355642964 147021466 /nfs/dbraw/zinc/02/14/66/147021466.db2.gz KYSONIKXYOXGNP-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355879061 147089926 /nfs/dbraw/zinc/08/99/26/147089926.db2.gz FZZAJBHICWCVEI-UHFFFAOYSA-N -1 0 330.413 2.656 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)CC2)c1 ZINC000356027654 147127197 /nfs/dbraw/zinc/12/71/97/147127197.db2.gz XGVWWTPIXADNKK-UHFFFAOYSA-N -1 0 345.362 2.719 20 30 EFEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc2c1OCCO2 ZINC000356230176 147181951 /nfs/dbraw/zinc/18/19/51/147181951.db2.gz VYMJNTLFAPRNSA-RQOWECAXSA-N -1 0 338.319 2.602 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000357074821 147418157 /nfs/dbraw/zinc/41/81/57/147418157.db2.gz NJUOBQPMZJDFBO-UHFFFAOYSA-N -1 0 347.444 2.625 20 30 EFEDRM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(C#N)c(F)c3)c2)c1 ZINC000358283955 147760797 /nfs/dbraw/zinc/76/07/97/147760797.db2.gz BKUWVEHCXBYPSV-UHFFFAOYSA-N -1 0 337.310 2.828 20 30 EFEDRM Cn1cc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1C#N ZINC000359474077 148095512 /nfs/dbraw/zinc/09/55/12/148095512.db2.gz GYJNCLYMMNPOMO-UHFFFAOYSA-N -1 0 345.378 2.651 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(F)c1 ZINC000359648758 148150541 /nfs/dbraw/zinc/15/05/41/148150541.db2.gz MOCCPXRFBXLIML-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c[nH]cc1-c1ccccc1F ZINC000359719885 148170936 /nfs/dbraw/zinc/17/09/36/148170936.db2.gz UKSTYVBRVPLFDJ-UHFFFAOYSA-N -1 0 335.342 2.967 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(F)cc1OC(F)F ZINC000359719883 148170948 /nfs/dbraw/zinc/17/09/48/148170948.db2.gz UJSRGAVKQVEFFE-UHFFFAOYSA-N -1 0 336.273 2.573 20 30 EFEDRM CCCOc1cc(OC)ccc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359727802 148173742 /nfs/dbraw/zinc/17/37/42/148173742.db2.gz UDUXSWNJNLSEMN-UHFFFAOYSA-N -1 0 340.383 2.630 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(F)cc(Br)c1 ZINC000359726923 148173768 /nfs/dbraw/zinc/17/37/68/148173768.db2.gz QRDIDTVCEMOIQX-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Br)c1 ZINC000359982003 148241062 /nfs/dbraw/zinc/24/10/62/148241062.db2.gz SVKJUBVGTLIWER-MRVPVSSYSA-N -1 0 344.172 2.658 20 30 EFEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1C ZINC000361780743 148697439 /nfs/dbraw/zinc/69/74/39/148697439.db2.gz JBYHHGRRYISIDA-NSHDSACASA-N -1 0 348.428 2.844 20 30 EFEDRM CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416938659 286115487 /nfs/dbraw/zinc/11/54/87/286115487.db2.gz LMIUEWGGSJAJBC-LBPRGKRZSA-N -1 0 346.836 2.799 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000408482454 152198045 /nfs/dbraw/zinc/19/80/45/152198045.db2.gz HYHKKUMSZVQWMX-DVOMOZLQSA-N -1 0 334.441 2.577 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408498584 152202189 /nfs/dbraw/zinc/20/21/89/152202189.db2.gz LNILXNJFYLQSAN-MFKMUULPSA-N -1 0 340.832 2.843 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc([O-])ccc1[N+](=O)[O-])CO2 ZINC000170655419 286385766 /nfs/dbraw/zinc/38/57/66/286385766.db2.gz CBWSJXXKUYQWPM-WDZFZDKYSA-N -1 0 327.292 2.968 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000122112216 222017219 /nfs/dbraw/zinc/01/72/19/222017219.db2.gz NTKNFYUROXKXTQ-AWEZNQCLSA-N -1 0 342.362 2.644 20 30 EFEDRM C[C@@H](Cc1cncc2ccccc21)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000516335274 269837056 /nfs/dbraw/zinc/83/70/56/269837056.db2.gz HEFKEMKZFSWRSK-LBPRGKRZSA-N -1 0 345.406 2.946 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000288723512 269951985 /nfs/dbraw/zinc/95/19/85/269951985.db2.gz ZACVCPIRMQWFNJ-LLVKDONJSA-N -1 0 338.738 2.831 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000290536498 270024636 /nfs/dbraw/zinc/02/46/36/270024636.db2.gz OSAKUFXLMQFONK-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000293256881 270024925 /nfs/dbraw/zinc/02/49/25/270024925.db2.gz GMFFPKSDKCEHLL-VIFPVBQESA-N -1 0 343.305 2.609 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cc(C#N)c[nH]2)s1 ZINC000352254038 270027001 /nfs/dbraw/zinc/02/70/01/270027001.db2.gz QVANYGQAAPDJPO-UHFFFAOYSA-N -1 0 327.344 2.527 20 30 EFEDRM Cc1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC000427197134 270028206 /nfs/dbraw/zinc/02/82/06/270028206.db2.gz BKCOSEAMPMYWPL-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1Oc1ccccc1 ZINC000488350440 270030000 /nfs/dbraw/zinc/03/00/00/270030000.db2.gz LJWACPSFSSCIAB-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM N#Cc1ccc(C=CC(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000492284871 270032169 /nfs/dbraw/zinc/03/21/69/270032169.db2.gz SSTINPYGDXADPB-FPLPWBNLSA-N -1 0 333.376 2.546 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1C#N ZINC000495573245 270033416 /nfs/dbraw/zinc/03/34/16/270033416.db2.gz KQMCZRMJUUQHSD-UHFFFAOYSA-N -1 0 341.371 2.611 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1O ZINC000514907650 270033981 /nfs/dbraw/zinc/03/39/81/270033981.db2.gz BBPMMSDFVXIYPH-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000289631998 266371652 /nfs/dbraw/zinc/37/16/52/266371652.db2.gz CSECYINJKNNSOW-SECBINFHSA-N -1 0 337.426 2.923 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1[N+](=O)[O-] ZINC000179028866 266846422 /nfs/dbraw/zinc/84/64/22/266846422.db2.gz FRXLNPDLMHYNPN-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(C#N)cc1F ZINC000292455144 267110970 /nfs/dbraw/zinc/11/09/70/267110970.db2.gz ZONYGPFDKOYPML-BXKDBHETSA-N -1 0 329.297 2.733 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ncc(C#N)cc1Cl ZINC000292182008 267111234 /nfs/dbraw/zinc/11/12/34/267111234.db2.gz FNNFHGWVIGOKNN-LDYMZIIASA-N -1 0 346.740 2.642 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000451007185 267260896 /nfs/dbraw/zinc/26/08/96/267260896.db2.gz SXLBJABLRHVSKS-UHFFFAOYSA-N -1 0 340.355 2.654 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000514846069 267293092 /nfs/dbraw/zinc/29/30/92/267293092.db2.gz OCIZTFWVKMLLDP-FUHWJXTLSA-N -1 0 341.436 2.922 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1C1CCCCC1 ZINC000290462147 267349005 /nfs/dbraw/zinc/34/90/05/267349005.db2.gz FKGJFLOECKNVED-UHFFFAOYSA-N -1 0 345.428 2.764 20 30 EFEDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000179669456 267349678 /nfs/dbraw/zinc/34/96/78/267349678.db2.gz GQTFESUAAGCAEU-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM COC(=O)N(C)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000492258153 267370253 /nfs/dbraw/zinc/37/02/53/267370253.db2.gz LLINQERCEUPSIF-UHFFFAOYSA-N -1 0 339.351 2.714 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187729075 267399716 /nfs/dbraw/zinc/39/97/16/267399716.db2.gz KHJZMWNPRZEWBL-LBPRGKRZSA-N -1 0 330.413 2.835 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000451068852 268071346 /nfs/dbraw/zinc/07/13/46/268071346.db2.gz JLSAYZCGIRSJPU-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cc1n[nH]c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1CC(C)C ZINC000520677175 268072047 /nfs/dbraw/zinc/07/20/47/268072047.db2.gz DJHZNFONOCFYSD-UHFFFAOYSA-N -1 0 335.415 2.978 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)cc1[O-] ZINC000526955123 268206410 /nfs/dbraw/zinc/20/64/10/268206410.db2.gz FAFZBBMBIWTGEX-UHFFFAOYSA-N -1 0 341.277 2.579 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)s1 ZINC000390355019 268207982 /nfs/dbraw/zinc/20/79/82/268207982.db2.gz DXRWXFSZQLFBNO-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM N#Cc1cccc(C=CC(=O)N=c2nc(-c3cccnc3)[n-]s2)c1 ZINC000492303012 268268252 /nfs/dbraw/zinc/26/82/52/268268252.db2.gz ZBBINWSIQSSJAR-SREVYHEPSA-N -1 0 333.376 2.546 20 30 EFEDRM N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000493813492 268270025 /nfs/dbraw/zinc/27/00/25/268270025.db2.gz DAZPHFYUHFZJLG-HJWRWDBZSA-N -1 0 332.425 2.598 20 30 EFEDRM N#Cc1nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1Cl ZINC000281710550 268322134 /nfs/dbraw/zinc/32/21/34/268322134.db2.gz CJWZPMSIMMUVHD-UHFFFAOYSA-N -1 0 346.740 2.502 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000179029264 273042208 /nfs/dbraw/zinc/04/22/08/273042208.db2.gz QVHUMOQFNLPIEZ-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427197815 269612770 /nfs/dbraw/zinc/61/27/70/269612770.db2.gz LXWRUYDTFUDHQG-UHFFFAOYSA-N -1 0 349.387 2.928 20 30 EFEDRM CCOC(=O)c1cnc(NC(=O)c2csc(-c3ccoc3)n2)[n-]1 ZINC000328590175 276301086 /nfs/dbraw/zinc/30/10/86/276301086.db2.gz KLLWRRSFPKIYTF-UHFFFAOYSA-N -1 0 332.341 2.939 20 30 EFEDRM CN1CCCN(C(=O)c2ccc(C#N)c([O-])c2)c2cc(F)ccc21 ZINC000442667091 277050164 /nfs/dbraw/zinc/05/01/64/277050164.db2.gz VFPAHKJLSVETHT-UHFFFAOYSA-N -1 0 325.343 2.890 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936153 292761813 /nfs/dbraw/zinc/76/18/13/292761813.db2.gz ULAFUPACXAXXMP-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935655 292761938 /nfs/dbraw/zinc/76/19/38/292761938.db2.gz PGTPFLRCBZCOJD-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCO[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC000125824668 293017451 /nfs/dbraw/zinc/01/74/51/293017451.db2.gz YFZWRYRYFPGGPC-AWEZNQCLSA-N -1 0 346.399 2.566 20 30 EFEDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000127259633 293063996 /nfs/dbraw/zinc/06/39/96/293063996.db2.gz JHWLLVZWIKMSFB-UHFFFAOYSA-N -1 0 325.390 2.907 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(F)c1 ZINC000128025220 293088908 /nfs/dbraw/zinc/08/89/08/293088908.db2.gz XIJNGTZPWCOYLN-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000128981747 293120564 /nfs/dbraw/zinc/12/05/64/293120564.db2.gz YCSNWFGZOXGYCC-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000129581408 293138917 /nfs/dbraw/zinc/13/89/17/293138917.db2.gz PZEGKQIITLMMKX-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(cc4c2CCC4)CCC3)cn1 ZINC000357332656 294941620 /nfs/dbraw/zinc/94/16/20/294941620.db2.gz LNKWKMHSTVBUKG-UHFFFAOYSA-N -1 0 339.420 2.731 20 30 EFEDRM Cc1cc(C)c(Br)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000130945740 301161724 /nfs/dbraw/zinc/16/17/24/301161724.db2.gz MERAIHXPXSBOOU-UHFFFAOYSA-N -1 0 344.172 2.785 20 30 EFEDRM Cc1nc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(Cl)cc1C#N ZINC000263542969 302600658 /nfs/dbraw/zinc/60/06/58/302600658.db2.gz FAVYBPCPHCWOCW-RKDXNWHRSA-N -1 0 333.697 2.614 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000263338132 303156900 /nfs/dbraw/zinc/15/69/00/303156900.db2.gz DTEOJDVLMZEPMD-YESZJQIVSA-N -1 0 343.427 2.844 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000186703321 303209077 /nfs/dbraw/zinc/20/90/77/303209077.db2.gz XGYKEVSCMQBXPK-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[n-]c1C#N ZINC000075555082 303216193 /nfs/dbraw/zinc/21/61/93/303216193.db2.gz LDBDLQUSIZWMNG-VHSXEESVSA-N -1 0 345.284 2.914 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000075555100 303216451 /nfs/dbraw/zinc/21/64/51/303216451.db2.gz GZVZGSGZGVHNKQ-GHMZBOCLSA-N -1 0 345.284 2.914 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C)n1 ZINC000160680340 310701454 /nfs/dbraw/zinc/70/14/54/310701454.db2.gz MVPHBAYITNUHCR-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(CCC(F)(F)F)cc2)[n-]c1C#N ZINC000161816219 310712962 /nfs/dbraw/zinc/71/29/62/310712962.db2.gz PCQBSZWMDQTICA-UHFFFAOYSA-N -1 0 333.273 2.900 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000326174169 311243555 /nfs/dbraw/zinc/24/35/55/311243555.db2.gz KONGOSPKRTVLRV-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000328286709 311245694 /nfs/dbraw/zinc/24/56/94/311245694.db2.gz ICPVEFGBAUJHPK-IBGZPJMESA-N -1 0 338.363 2.938 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000538009028 317687578 /nfs/dbraw/zinc/68/75/78/317687578.db2.gz PBFAXFXRWPEMBT-UHFFFAOYSA-N -1 0 338.348 2.982 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000540697058 317749178 /nfs/dbraw/zinc/74/91/78/317749178.db2.gz VVXIQAVKZSPJQP-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000545999171 317947807 /nfs/dbraw/zinc/94/78/07/317947807.db2.gz LKKBUMRZRZODNM-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1F ZINC000545999283 317947948 /nfs/dbraw/zinc/94/79/48/317947948.db2.gz OOJSXRHZBPCJLV-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000546623524 317968509 /nfs/dbraw/zinc/96/85/09/317968509.db2.gz QPFLHTOOATVMKB-UHFFFAOYSA-N -1 0 335.410 2.702 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1 ZINC000547414219 318005221 /nfs/dbraw/zinc/00/52/21/318005221.db2.gz NBHYXYGIBHJLGK-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(C)c1C ZINC000547414376 318005334 /nfs/dbraw/zinc/00/53/34/318005334.db2.gz AYSJXQYPWIQTLL-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000547874369 318050606 /nfs/dbraw/zinc/05/06/06/318050606.db2.gz BBAARBWPTMTIJY-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000547961874 318056992 /nfs/dbraw/zinc/05/69/92/318056992.db2.gz SOYFXLTZZBCAJR-UHFFFAOYSA-N -1 0 325.390 2.826 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1Cl ZINC000548615259 318124254 /nfs/dbraw/zinc/12/42/54/318124254.db2.gz BCDZSVKJLGWQIE-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000556096450 318378991 /nfs/dbraw/zinc/37/89/91/318378991.db2.gz XQKYPXZDLYQQQS-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2n1C ZINC000559214620 318505010 /nfs/dbraw/zinc/50/50/10/318505010.db2.gz DCVPFNRLWXKGDU-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)sc1C(F)(F)F ZINC000561768271 318613938 /nfs/dbraw/zinc/61/39/38/318613938.db2.gz ZSFRKVFUMAWLRL-UHFFFAOYSA-N -1 0 337.304 2.736 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000563911436 318828306 /nfs/dbraw/zinc/82/83/06/318828306.db2.gz VJJIUXNYSGQYGK-UHFFFAOYSA-N -1 0 342.309 2.647 20 30 EFEDRM COc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000565821760 319005714 /nfs/dbraw/zinc/00/57/14/319005714.db2.gz OYVMCACCOBSHDS-LSDHHAIUSA-N -1 0 338.411 2.682 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566238594 319051079 /nfs/dbraw/zinc/05/10/79/319051079.db2.gz CGGBPVSWKPELID-OCCSQVGLSA-N -1 0 345.399 2.920 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)ccc1C#N ZINC000567012787 319129980 /nfs/dbraw/zinc/12/99/80/319129980.db2.gz JWGALBJCUVVGSK-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c(F)c1 ZINC000571465665 319576416 /nfs/dbraw/zinc/57/64/16/319576416.db2.gz MCCRYWOHWABGKT-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000577165888 320083256 /nfs/dbraw/zinc/08/32/56/320083256.db2.gz ORVCKHRPWXJTGR-CYBMUJFWSA-N -1 0 341.314 2.535 20 30 EFEDRM C[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000577373947 320104976 /nfs/dbraw/zinc/10/49/76/320104976.db2.gz YSNYVEDIDWAEFW-DGCLKSJQSA-N -1 0 332.404 2.689 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N=c2ccc(C(F)(F)F)n[n-]2)c1 ZINC000578304544 320192861 /nfs/dbraw/zinc/19/28/61/320192861.db2.gz UZBLZBRBXNXFDA-NWDGAFQWSA-N -1 0 332.285 2.531 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000578622774 320222951 /nfs/dbraw/zinc/22/29/51/320222951.db2.gz LLTJSJOUAFJEAQ-AWEZNQCLSA-N -1 0 339.424 2.908 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181144811 323228828 /nfs/dbraw/zinc/22/88/28/323228828.db2.gz PFSJXRHZFXTXGR-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C#N ZINC000181147076 323228848 /nfs/dbraw/zinc/22/88/48/323228848.db2.gz XWDKBDIBIDZKLH-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000194623359 323510095 /nfs/dbraw/zinc/51/00/95/323510095.db2.gz JTDKKZIXXDCMHK-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)s1 ZINC000580402773 324154713 /nfs/dbraw/zinc/15/47/13/324154713.db2.gz PUMAWHNNSBPOPL-GFCCVEGCSA-N -1 0 334.422 2.924 20 30 EFEDRM Cc1nc(COC(C)(C)C)oc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000580836752 324248755 /nfs/dbraw/zinc/24/87/55/324248755.db2.gz JNVUPAGMJHFUHL-UHFFFAOYSA-N -1 0 345.403 2.621 20 30 EFEDRM C[C@H](Oc1cnc2ccccc2c1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000583833082 324879827 /nfs/dbraw/zinc/87/98/27/324879827.db2.gz ZTZGDKCBZUAZIE-NSHDSACASA-N -1 0 347.378 2.535 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(F)c1 ZINC000042325921 472129487 /nfs/dbraw/zinc/12/94/87/472129487.db2.gz NXHKUNPNZJUOMZ-BQYQJAHWSA-N -1 0 337.376 2.535 20 30 EFEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000102749024 472591556 /nfs/dbraw/zinc/59/15/56/472591556.db2.gz CRKJINSLPGCENA-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1C#N ZINC000124157505 473216323 /nfs/dbraw/zinc/21/63/23/473216323.db2.gz IZNKNMPZVKHQMS-CYBMUJFWSA-N -1 0 339.420 2.598 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C2(C#N)CCC2)n1 ZINC000081712543 473245353 /nfs/dbraw/zinc/24/53/53/473245353.db2.gz FKEBIPUCGXZFLW-UHFFFAOYSA-N -1 0 328.347 2.544 20 30 EFEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184863194 473257736 /nfs/dbraw/zinc/25/77/36/473257736.db2.gz YYQAEPSKXWUOCL-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000161763652 473260324 /nfs/dbraw/zinc/26/03/24/473260324.db2.gz HFVTXOXZZLZWPA-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM N#Cc1nc(NC(=O)c2cnc(-c3ccsc3)s2)[n-]c1C#N ZINC000112392995 473263662 /nfs/dbraw/zinc/26/36/62/473263662.db2.gz RHXNSVGWCNMZAO-UHFFFAOYSA-N -1 0 326.366 2.590 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000184937955 473278049 /nfs/dbraw/zinc/27/80/49/473278049.db2.gz KWHSIQVQJWDUKH-SECBINFHSA-N -1 0 344.820 2.517 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000184963192 473285716 /nfs/dbraw/zinc/28/57/16/473285716.db2.gz KZQKEBHYTGNOME-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(F)c1 ZINC000124797592 473305125 /nfs/dbraw/zinc/30/51/25/473305125.db2.gz JESWSTDAOLOGFI-UHFFFAOYSA-N -1 0 347.346 2.796 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000171345261 473367007 /nfs/dbraw/zinc/36/70/07/473367007.db2.gz SBRLCGRIEWMEEP-UHFFFAOYSA-N -1 0 329.381 2.709 20 30 EFEDRM CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000083791845 473368204 /nfs/dbraw/zinc/36/82/04/473368204.db2.gz MZXFJCDHUNPAPH-UHFFFAOYSA-N -1 0 341.820 2.952 20 30 EFEDRM Cc1cccc(-c2cncc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2)c1 ZINC000162715968 473374699 /nfs/dbraw/zinc/37/46/99/473374699.db2.gz PBSSFJHNGCSXAM-UHFFFAOYSA-N -1 0 328.335 2.776 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000083955379 473377743 /nfs/dbraw/zinc/37/77/43/473377743.db2.gz YYHDEZOWWRMDOH-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000083956114 473376366 /nfs/dbraw/zinc/37/63/66/473376366.db2.gz OMJHWHGWGJJHRQ-UHFFFAOYSA-N -1 0 342.833 2.816 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000125233347 473379390 /nfs/dbraw/zinc/37/93/90/473379390.db2.gz MSUDAZHUQQARLH-UHFFFAOYSA-N -1 0 347.444 2.643 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000084025698 473384469 /nfs/dbraw/zinc/38/44/69/473384469.db2.gz WFSYCYJTTVHVJD-CABZTGNLSA-N -1 0 330.406 2.532 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Cl ZINC000619780510 479882048 /nfs/dbraw/zinc/88/20/48/479882048.db2.gz RDOUAQOMGODYBH-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000416960542 477387658 /nfs/dbraw/zinc/38/76/58/477387658.db2.gz OKQIJBDZVVRQTJ-QMMMGPOBSA-N -1 0 335.198 2.941 20 30 EFEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC(C)(C)C1 ZINC000067600763 472056707 /nfs/dbraw/zinc/05/67/07/472056707.db2.gz HWIZQOCGRBVNDE-NWDGAFQWSA-N -1 0 327.450 2.918 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)nc3c2c(C)nn3C)n1 ZINC000041516955 472067031 /nfs/dbraw/zinc/06/70/31/472067031.db2.gz OWDBLMSKSKMQLL-GFCCVEGCSA-N -1 0 325.397 2.840 20 30 EFEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041544122 472068371 /nfs/dbraw/zinc/06/83/71/472068371.db2.gz IZMGELIJLSMNOF-OAHLLOKOSA-N -1 0 333.347 2.954 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1cccc(C)c1 ZINC000054451965 472089637 /nfs/dbraw/zinc/08/96/37/472089637.db2.gz NJJSFOVKVIOZJN-INIZCTEOSA-N -1 0 346.394 2.781 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C3CC3)cs2)cc1C#N ZINC000025564152 472102785 /nfs/dbraw/zinc/10/27/85/472102785.db2.gz AGQZQRKHOHZPGV-UHFFFAOYSA-N -1 0 332.410 2.967 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C#N)c2)n1 ZINC000067896398 472106479 /nfs/dbraw/zinc/10/64/79/472106479.db2.gz IQWUGSMLBUMOCB-LBPRGKRZSA-N -1 0 325.349 2.682 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2[N+](=O)[O-])n1 ZINC000067898346 472107018 /nfs/dbraw/zinc/10/70/18/472107018.db2.gz WWBAEDZEKFVYJF-JTQLQIEISA-N -1 0 345.336 2.718 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000054828437 472119549 /nfs/dbraw/zinc/11/95/49/472119549.db2.gz MJNWAGHGUXKBGU-UHFFFAOYSA-N -1 0 334.372 2.542 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)o2)cc1 ZINC000026274214 472129992 /nfs/dbraw/zinc/12/99/92/472129992.db2.gz ZRULSCXNQXOVNJ-UHFFFAOYSA-N -1 0 345.318 2.868 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccs1 ZINC000042338980 472130123 /nfs/dbraw/zinc/13/01/23/472130123.db2.gz HXEYRMYTJVGODI-UHFFFAOYSA-N -1 0 339.394 2.603 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)[n-]c1C#N ZINC000026267818 472130929 /nfs/dbraw/zinc/13/09/29/472130929.db2.gz VSMRSJPEWYKIRE-UHFFFAOYSA-N -1 0 338.714 2.714 20 30 EFEDRM COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055648848 472217897 /nfs/dbraw/zinc/21/78/97/472217897.db2.gz YDYTVTGDILTZIW-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000055664128 472222027 /nfs/dbraw/zinc/22/20/27/472222027.db2.gz WFTPNPPPMMGBED-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC000055674390 472223259 /nfs/dbraw/zinc/22/32/59/472223259.db2.gz HEQJMPNMPCVEMU-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)n1 ZINC000085438495 472247565 /nfs/dbraw/zinc/24/75/65/472247565.db2.gz HCSBHKMHPQXMIH-AWEZNQCLSA-N -1 0 330.363 2.694 20 30 EFEDRM CC(C)(C)[C@@H](C#N)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000085439642 472248617 /nfs/dbraw/zinc/24/86/17/472248617.db2.gz JDZUJXNXHIGSST-CYBMUJFWSA-N -1 0 344.440 2.504 20 30 EFEDRM C#CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000056361486 472311357 /nfs/dbraw/zinc/31/13/57/472311357.db2.gz BLPQQLNYQOPXPX-UHFFFAOYSA-N -1 0 348.449 2.644 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCO2)cc1C ZINC000069282722 472315930 /nfs/dbraw/zinc/31/59/30/472315930.db2.gz PCGBRAHQZUOQMT-KBPBESRZSA-N -1 0 341.429 2.533 20 30 EFEDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282954 472316194 /nfs/dbraw/zinc/31/61/94/472316194.db2.gz CPUWALFULUAOEE-PWSUYJOCSA-N -1 0 347.820 2.569 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCO2)c1 ZINC000069282663 472316532 /nfs/dbraw/zinc/31/65/32/472316532.db2.gz KKKNGEAYFAXKGE-ZIAGYGMSSA-N -1 0 341.429 2.533 20 30 EFEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000069343540 472324935 /nfs/dbraw/zinc/32/49/35/472324935.db2.gz NEROZRALLAWBPK-CYBMUJFWSA-N -1 0 334.422 2.735 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1OC ZINC000088474252 472365912 /nfs/dbraw/zinc/36/59/12/472365912.db2.gz SCWYRMCKZJBTHH-SECBINFHSA-N -1 0 333.207 2.502 20 30 EFEDRM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000057125478 472383667 /nfs/dbraw/zinc/38/36/67/472383667.db2.gz KBSLXCFNHVANBR-UHFFFAOYSA-N -1 0 345.380 2.562 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2[n-]c1=S ZINC000031716815 472389821 /nfs/dbraw/zinc/38/98/21/472389821.db2.gz XOFXFEYQYYAWMZ-GFCCVEGCSA-N -1 0 345.468 2.988 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nnc(C(C)C)s2)cc1C#N ZINC000031906559 472400779 /nfs/dbraw/zinc/40/07/79/472400779.db2.gz VZAGFBUZULHTHH-UHFFFAOYSA-N -1 0 335.414 2.608 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC000069704129 472404098 /nfs/dbraw/zinc/40/40/98/472404098.db2.gz QTUUCFBAXPOAQE-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)CC(C)C)cc2[n-]c1=S ZINC000045470027 472412842 /nfs/dbraw/zinc/41/28/42/472412842.db2.gz UOAZSQCZUQOJNN-UHFFFAOYSA-N -1 0 331.441 2.599 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccc(C)cc2)cn1 ZINC000097049060 472426217 /nfs/dbraw/zinc/42/62/17/472426217.db2.gz WLIHNNBCLBOXSU-ZDUSSCGKSA-N -1 0 335.429 2.735 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000076937308 472426694 /nfs/dbraw/zinc/42/66/94/472426694.db2.gz RNSCRTVHVILJGB-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)oc1C ZINC000128689079 472484716 /nfs/dbraw/zinc/48/47/16/472484716.db2.gz LHDQFMVWXSBHNF-ZDUSSCGKSA-N -1 0 348.366 2.897 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000046015566 472496717 /nfs/dbraw/zinc/49/67/17/472496717.db2.gz VGAOKBNOYIIECM-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)n1 ZINC000058075982 472502762 /nfs/dbraw/zinc/50/27/62/472502762.db2.gz DMHOETYPXLLMRF-UHFFFAOYSA-N -1 0 329.422 2.745 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1F ZINC000058150866 472507460 /nfs/dbraw/zinc/50/74/60/472507460.db2.gz BSPCGJUJCJQIGN-UHFFFAOYSA-N -1 0 328.752 2.709 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c1 ZINC000058194342 472515886 /nfs/dbraw/zinc/51/58/86/472515886.db2.gz OVBZNBBWAFQCNE-SNVBAGLBSA-N -1 0 325.386 2.555 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000119075287 472523826 /nfs/dbraw/zinc/52/38/26/472523826.db2.gz NUZDCUCELILDMU-VIFPVBQESA-N -1 0 338.241 2.970 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000101372597 472532036 /nfs/dbraw/zinc/53/20/36/472532036.db2.gz FQPTZRPYQQOFNO-GFCCVEGCSA-N -1 0 332.281 2.839 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1Cl ZINC000058292878 472538359 /nfs/dbraw/zinc/53/83/59/472538359.db2.gz CKQYLZAREJXYBY-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000119358389 472549146 /nfs/dbraw/zinc/54/91/46/472549146.db2.gz GHUYDHQHRGQWQO-ZDUSSCGKSA-N -1 0 337.376 2.732 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000129617086 472555268 /nfs/dbraw/zinc/55/52/68/472555268.db2.gz YKNVDJNOPWGSCX-FZMZJTMJSA-N -1 0 331.441 2.763 20 30 EFEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nn2)c1 ZINC000102116019 472564427 /nfs/dbraw/zinc/56/44/27/472564427.db2.gz UJOZNNNZVLXBAX-AWEZNQCLSA-N -1 0 342.362 2.942 20 30 EFEDRM N#CC(=C([O-])c1scnc1C1CC1)c1nnc2n1CCCCC2 ZINC000089967337 472565156 /nfs/dbraw/zinc/56/51/56/472565156.db2.gz BVYDCUFGHAXNEI-LLVKDONJSA-N -1 0 327.413 2.828 20 30 EFEDRM C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c1 ZINC000103060632 472608210 /nfs/dbraw/zinc/60/82/10/472608210.db2.gz CUSJZUJUVFRVOI-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000071916512 472620998 /nfs/dbraw/zinc/62/09/98/472620998.db2.gz HYTOAHHZMHBFNV-UHFFFAOYSA-N -1 0 344.392 2.721 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)NC(C)C ZINC000120078851 472626595 /nfs/dbraw/zinc/62/65/95/472626595.db2.gz OYHAGAHOZTUVFT-UHFFFAOYSA-N -1 0 330.837 2.796 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)NCCC ZINC000120086099 472629286 /nfs/dbraw/zinc/62/92/86/472629286.db2.gz GGNVGDAYYBXYDR-UHFFFAOYSA-N -1 0 330.837 2.798 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000103502741 472639257 /nfs/dbraw/zinc/63/92/57/472639257.db2.gz MFDTUJYGXOJWLA-MRXNPFEDSA-N -1 0 335.407 2.992 20 30 EFEDRM CN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000060657607 472674290 /nfs/dbraw/zinc/67/42/90/472674290.db2.gz YIABOAVVEFFPLB-UHFFFAOYSA-N -1 0 349.437 2.535 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2cscn2)cc1 ZINC000078701050 472755920 /nfs/dbraw/zinc/75/59/20/472755920.db2.gz PQKQCWYRTVSDLF-UHFFFAOYSA-N -1 0 340.426 2.820 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000105590295 472761359 /nfs/dbraw/zinc/76/13/59/472761359.db2.gz BCDFPNKDNHAUFB-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2(Cc3ccccc3)CCCCC2)[n-]1 ZINC000613476916 480012048 /nfs/dbraw/zinc/01/20/48/480012048.db2.gz AFQVINPXJKBACK-UHFFFAOYSA-N -1 0 337.427 2.781 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccncc1 ZINC000079153821 472827097 /nfs/dbraw/zinc/82/70/97/472827097.db2.gz DZXLBAMEIZCVNB-SNAWJCMRSA-N -1 0 327.365 2.620 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000064099463 472834856 /nfs/dbraw/zinc/83/48/56/472834856.db2.gz QUXVVRDIYRUYEO-UONOGXRCSA-N -1 0 341.429 2.614 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000064479096 472857548 /nfs/dbraw/zinc/85/75/48/472857548.db2.gz ICFFRNBYFIQWKC-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(C)c1 ZINC000064479020 472857687 /nfs/dbraw/zinc/85/76/87/472857687.db2.gz CPMAEYXRJYXITQ-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000064479125 472857801 /nfs/dbraw/zinc/85/78/01/472857801.db2.gz QKSMIXTVSSZZLG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C ZINC000048425095 472876132 /nfs/dbraw/zinc/87/61/32/472876132.db2.gz IMRRQUJTJDMSQM-UHFFFAOYSA-N -1 0 342.417 2.555 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000048427431 472876295 /nfs/dbraw/zinc/87/62/95/472876295.db2.gz HGAYKCSEHZABSI-ZACCUICWSA-N -1 0 327.427 2.789 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCC2)cc1 ZINC000048452493 472879410 /nfs/dbraw/zinc/87/94/10/472879410.db2.gz CVFMOIHXFPBSCF-UHFFFAOYSA-N -1 0 327.402 2.690 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C)c1 ZINC000048511385 472884523 /nfs/dbraw/zinc/88/45/23/472884523.db2.gz JFMPLQIJBHQUMD-UHFFFAOYSA-N -1 0 342.417 2.555 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000048511578 472885178 /nfs/dbraw/zinc/88/51/78/472885178.db2.gz XTGYAKDJQOASNX-NSHDSACASA-N -1 0 342.417 2.553 20 30 EFEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000121806684 472919119 /nfs/dbraw/zinc/91/91/19/472919119.db2.gz YGPMDABSGKXIKW-UHFFFAOYSA-N -1 0 347.352 2.535 20 30 EFEDRM CC(C)S(=O)(=O)/N=C([O-])/C=C/c1c(Cl)nc2sccn12 ZINC000049417739 472947874 /nfs/dbraw/zinc/94/78/74/472947874.db2.gz IGESCIYUCJVVRK-ONEGZZNKSA-N -1 0 333.822 2.757 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000049405090 472948909 /nfs/dbraw/zinc/94/89/09/472948909.db2.gz NXVCHMMKJPNJCB-CYBMUJFWSA-N -1 0 340.339 2.890 20 30 EFEDRM C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)Cc1cccs1 ZINC000122243415 472991420 /nfs/dbraw/zinc/99/14/20/472991420.db2.gz QDSIXRYURKTIRX-NSHDSACASA-N -1 0 338.429 2.916 20 30 EFEDRM N#CC(=C([O-])c1cccc(N2CCNC2=O)c1)c1nc2ccccc2o1 ZINC000066516529 473107402 /nfs/dbraw/zinc/10/74/02/473107402.db2.gz BKLKAVNWJYBVFI-CQSZACIVSA-N -1 0 346.346 2.847 20 30 EFEDRM N#CC(=C([O-])c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccccc2o1 ZINC000066516820 473108044 /nfs/dbraw/zinc/10/80/44/473108044.db2.gz HPXNZGVICUJTMP-LBPRGKRZSA-N -1 0 347.330 2.525 20 30 EFEDRM N#CC(=C([O-])c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccccc2o1 ZINC000066516821 473108077 /nfs/dbraw/zinc/10/80/77/473108077.db2.gz HPXNZGVICUJTMP-GFCCVEGCSA-N -1 0 347.330 2.525 20 30 EFEDRM N#Cc1nc(NC(=O)CCCOc2ccc(Cl)cc2)[n-]c1C#N ZINC000052557378 473124475 /nfs/dbraw/zinc/12/44/75/473124475.db2.gz XORPBEVIYQSRGZ-UHFFFAOYSA-N -1 0 329.747 2.604 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000093908575 473162059 /nfs/dbraw/zinc/16/20/59/473162059.db2.gz YUWCDONUMNKNHB-QGZVFWFLSA-N -1 0 339.370 2.554 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCS[C@H](C(C)C)C2)cc1C#N ZINC000075349312 473172377 /nfs/dbraw/zinc/17/23/77/473172377.db2.gz OATNEAXZKKUGRI-LBPRGKRZSA-N -1 0 337.470 2.594 20 30 EFEDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000123764602 473182770 /nfs/dbraw/zinc/18/27/70/473182770.db2.gz REMMPSOMYQPDFQ-JTQLQIEISA-N -1 0 349.343 2.645 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)nc(C)n1 ZINC000075439291 473186733 /nfs/dbraw/zinc/18/67/33/473186733.db2.gz POUJKIIFGCQCRC-ZDUSSCGKSA-N -1 0 335.342 2.908 20 30 EFEDRM CC(C)n1cc(C#N)c(NC(=O)c2cnc(-c3ncccn3)s2)n1 ZINC000160987501 473196766 /nfs/dbraw/zinc/19/67/66/473196766.db2.gz ITPLUXFADXRXDF-UHFFFAOYSA-N -1 0 339.384 2.501 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000125338079 473396278 /nfs/dbraw/zinc/39/62/78/473396278.db2.gz RZYYWUKECYFVIE-UHFFFAOYSA-N -1 0 326.381 2.663 20 30 EFEDRM CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)c1 ZINC000190902979 473423471 /nfs/dbraw/zinc/42/34/71/473423471.db2.gz GUOMPALSMAOVPP-HNNXBMFYSA-N -1 0 344.374 2.822 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000114061537 473435652 /nfs/dbraw/zinc/43/56/52/473435652.db2.gz MUCCRCABKCNEMP-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000171772116 473458088 /nfs/dbraw/zinc/45/80/88/473458088.db2.gz ZHGQPXBAWDMNER-UHFFFAOYSA-N -1 0 342.380 2.505 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000185621325 473469956 /nfs/dbraw/zinc/46/99/56/473469956.db2.gz CSYXKOCGPDSEFC-UHFFFAOYSA-N -1 0 337.426 2.948 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000164003243 473474529 /nfs/dbraw/zinc/47/45/29/473474529.db2.gz ZKZXIAOEIRFTTC-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C#N ZINC000185648745 473476813 /nfs/dbraw/zinc/47/68/13/473476813.db2.gz UHZACNNVNZUUSX-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC3CC3)cc2)C(=O)O1 ZINC000191210141 473507670 /nfs/dbraw/zinc/50/76/70/473507670.db2.gz LBDHDELXCVYHGF-AHKGRUIUSA-N -1 0 326.348 2.704 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C2CC2)cc1 ZINC000178478416 473520070 /nfs/dbraw/zinc/52/00/70/473520070.db2.gz BCNBRCBMXBMBQC-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000172123504 473529450 /nfs/dbraw/zinc/52/94/50/473529450.db2.gz NNSWDLSUAIWRJO-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000178610320 473538460 /nfs/dbraw/zinc/53/84/60/473538460.db2.gz VQUNHSRUKANRSN-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000126783355 473545002 /nfs/dbraw/zinc/54/50/02/473545002.db2.gz VNNJJBBJAVTBEQ-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000178733319 473549670 /nfs/dbraw/zinc/54/96/70/473549670.db2.gz UJSNRCDBIYNPOH-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCCC2)n1)c1nc2ccccc2o1 ZINC000633901143 480045903 /nfs/dbraw/zinc/04/59/03/480045903.db2.gz XRSVRFQKTCCJDX-LBPRGKRZSA-N -1 0 333.351 2.708 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)nc1 ZINC000191756903 473574844 /nfs/dbraw/zinc/57/48/44/473574844.db2.gz JQIFLZNMVWOTAL-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM C#CC[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C1CC1 ZINC000170654757 473575793 /nfs/dbraw/zinc/57/57/93/473575793.db2.gz YXSPKDKEOVDMFR-OAHLLOKOSA-N -1 0 342.420 2.664 20 30 EFEDRM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179025331 473613909 /nfs/dbraw/zinc/61/39/09/473613909.db2.gz PLXIFMDNYZASRG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000179025127 473614398 /nfs/dbraw/zinc/61/43/98/473614398.db2.gz WUVWYOUNAOWJOJ-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c([N+](=O)[O-])c1 ZINC000179024890 473614626 /nfs/dbraw/zinc/61/46/26/473614626.db2.gz QIHOGJVAVFDWEF-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000154005852 473658605 /nfs/dbraw/zinc/65/86/05/473658605.db2.gz DHUCNPCALXDPNF-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1 ZINC000186590407 473694814 /nfs/dbraw/zinc/69/48/14/473694814.db2.gz OSBJIMWXMIYMTA-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000179643043 473701564 /nfs/dbraw/zinc/70/15/64/473701564.db2.gz NPBQEONHBJZVDZ-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(OC)c1OC ZINC000263258486 473746308 /nfs/dbraw/zinc/74/63/08/473746308.db2.gz ULDSHKTXQNXTAC-OCCSQVGLSA-N -1 0 347.411 2.758 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000193362467 473784155 /nfs/dbraw/zinc/78/41/55/473784155.db2.gz OHPDLLGUVJMIIJ-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187726903 473909262 /nfs/dbraw/zinc/90/92/62/473909262.db2.gz FXRTWZCUXPGSHZ-NSHDSACASA-N -1 0 346.412 2.535 20 30 EFEDRM CC(C)c1nnc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn21 ZINC000187779112 473919547 /nfs/dbraw/zinc/91/95/47/473919547.db2.gz RMEOYLNUPPDQFZ-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)s1 ZINC000269975280 473941178 /nfs/dbraw/zinc/94/11/78/473941178.db2.gz PKSNNVKRQPJCBS-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM N#Cc1c(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)sc2c1CCCCCC2 ZINC000188151424 474001213 /nfs/dbraw/zinc/00/12/13/474001213.db2.gz RYJBHWPSVDTHTK-STQMWFEESA-N -1 0 348.424 2.849 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)sc2c1CCCCCC2 ZINC000188151445 474001655 /nfs/dbraw/zinc/00/16/55/474001655.db2.gz RYJBHWPSVDTHTK-OLZOCXBDSA-N -1 0 348.424 2.849 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c([N+](=O)[O-])c1 ZINC000181148895 474009487 /nfs/dbraw/zinc/00/94/87/474009487.db2.gz WTBUGNHMPCWDBT-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCc1oc2ccccc2c1/C=C/C(=O)[N-]S(=O)(=O)CCCC#N ZINC000181276815 474022305 /nfs/dbraw/zinc/02/23/05/474022305.db2.gz QLSCOGZCNGCFJD-MDZDMXLPSA-N -1 0 346.408 2.758 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nc2C2CCCCC2)C(=O)O1 ZINC000181386172 474030649 /nfs/dbraw/zinc/03/06/49/474030649.db2.gz IFEXQOLRYFPELH-KBOKABMXSA-N -1 0 342.395 2.696 20 30 EFEDRM CCn1cnnc1-c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188288180 474046107 /nfs/dbraw/zinc/04/61/07/474046107.db2.gz NPCXZQRZJMZFFN-UHFFFAOYSA-N -1 0 333.351 2.795 20 30 EFEDRM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cn2)n1 ZINC000188291167 474046730 /nfs/dbraw/zinc/04/67/30/474046730.db2.gz OKBXZRDWJUHBLS-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188317747 474057575 /nfs/dbraw/zinc/05/75/75/474057575.db2.gz LINJCOOVSOBSPW-UHFFFAOYSA-N -1 0 335.363 2.717 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1[O-] ZINC000188324409 474060326 /nfs/dbraw/zinc/06/03/26/474060326.db2.gz ARCHMMGTMWUTTB-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181924067 474071774 /nfs/dbraw/zinc/07/17/74/474071774.db2.gz MCRNEZWAANQPSA-UHFFFAOYSA-N -1 0 327.296 2.823 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1[O-] ZINC000188425645 474090745 /nfs/dbraw/zinc/09/07/45/474090745.db2.gz FLIQIVYCQBFLIL-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM CC(C)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(-c2ncccn2)n1 ZINC000188616017 474142931 /nfs/dbraw/zinc/14/29/31/474142931.db2.gz LZRVXEXLVZUJET-UHFFFAOYSA-N -1 0 348.366 2.615 20 30 EFEDRM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188898516 474229147 /nfs/dbraw/zinc/22/91/47/474229147.db2.gz UBURQRXJRJQDHU-UHFFFAOYSA-N -1 0 349.390 2.964 20 30 EFEDRM C=CCN(C(=O)c1cc(I)ccc1O)C1CC1 ZINC000236565877 474272063 /nfs/dbraw/zinc/27/20/63/474272063.db2.gz NFZIHIIIIWBSCP-UHFFFAOYSA-N -1 0 343.164 2.787 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000183450103 474381447 /nfs/dbraw/zinc/38/14/47/474381447.db2.gz NSIPBKIFWNBUOZ-OLZOCXBDSA-N -1 0 329.381 2.504 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183566415 474393429 /nfs/dbraw/zinc/39/34/29/474393429.db2.gz YMELBWXSPBMSSJ-UHFFFAOYSA-N -1 0 335.285 2.761 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCCCC1 ZINC000183602764 474398146 /nfs/dbraw/zinc/39/81/46/474398146.db2.gz APOOZVVSTMPHGH-UHFFFAOYSA-N -1 0 334.441 2.865 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1 ZINC000176384232 474459052 /nfs/dbraw/zinc/45/90/52/474459052.db2.gz QBGXMNCVKIZAOC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000608955456 480106571 /nfs/dbraw/zinc/10/65/71/480106571.db2.gz XVFHNBKLCRELRI-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM Cc1ccccc1CN1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000189877308 474498357 /nfs/dbraw/zinc/49/83/57/474498357.db2.gz OYEOZHLTDUVJML-UHFFFAOYSA-N -1 0 335.407 2.530 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cn1 ZINC000184464429 474520913 /nfs/dbraw/zinc/52/09/13/474520913.db2.gz VMIQXBOWJDFQIL-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000238032732 474525201 /nfs/dbraw/zinc/52/52/01/474525201.db2.gz FVMIFLFEACBRIJ-UHFFFAOYSA-N -1 0 337.253 2.778 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCC(O)(c3cccnc3)CC2)c1 ZINC000184532026 474538183 /nfs/dbraw/zinc/53/81/83/474538183.db2.gz BOWUYGRDRUGGJR-RGVLZGJSSA-N -1 0 341.367 2.945 20 30 EFEDRM COC(=O)CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000276667389 474568245 /nfs/dbraw/zinc/56/82/45/474568245.db2.gz IQCHZQCZGFLLMM-RGOWCBCBSA-N -1 0 348.182 2.613 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000276915862 474573242 /nfs/dbraw/zinc/57/32/42/474573242.db2.gz QZRGQOBQRIETOZ-UHFFFAOYSA-N -1 0 347.820 2.634 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@@H]1C#N ZINC000277648596 474592669 /nfs/dbraw/zinc/59/26/69/474592669.db2.gz YSAQMEZKKBSWQR-OAHLLOKOSA-N -1 0 342.374 2.871 20 30 EFEDRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184772149 474604127 /nfs/dbraw/zinc/60/41/27/474604127.db2.gz MQJLBDUWIBFJQI-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)ccc1C#N ZINC000278325717 474609732 /nfs/dbraw/zinc/60/97/32/474609732.db2.gz GOUJYQRXDJYLOD-UHFFFAOYSA-N -1 0 346.412 2.783 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000184806577 474611496 /nfs/dbraw/zinc/61/14/96/474611496.db2.gz GIJMBZORFNQQRH-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000184831194 474616370 /nfs/dbraw/zinc/61/63/70/474616370.db2.gz VDHQSCTXWPSYSM-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000278377478 474626447 /nfs/dbraw/zinc/62/64/47/474626447.db2.gz LINWTXAQJZZWIW-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCN(C3CCCCC3)C2=O)s1 ZINC000629086338 480119691 /nfs/dbraw/zinc/11/96/91/480119691.db2.gz LNNBJXBFVIDFJE-LBPRGKRZSA-N -1 0 338.502 2.584 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2COc3ccccc3[C@@H]2OC)s1 ZINC000629085813 480119726 /nfs/dbraw/zinc/11/97/26/480119726.db2.gz DAYIPIHZSNIAMA-OLZOCXBDSA-N -1 0 335.454 2.799 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)ccc1C#N ZINC000278529465 474684867 /nfs/dbraw/zinc/68/48/67/474684867.db2.gz UTMZYHGSANUTTO-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000291802677 474695416 /nfs/dbraw/zinc/69/54/16/474695416.db2.gz BPJKMGWEZMOCDQ-UHFFFAOYSA-N -1 0 325.430 2.649 20 30 EFEDRM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340844239 474709501 /nfs/dbraw/zinc/70/95/01/474709501.db2.gz IWCCCTQJUOAYIJ-UHFFFAOYSA-N -1 0 339.760 2.564 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc2ccc(NC(C)=O)cc2s1 ZINC000291878600 474731715 /nfs/dbraw/zinc/73/17/15/474731715.db2.gz MPCGXUSFJZSKFF-UHFFFAOYSA-N -1 0 339.442 2.963 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000291881532 474733663 /nfs/dbraw/zinc/73/36/63/474733663.db2.gz NCBWABZMIQIZPW-CYBMUJFWSA-N -1 0 331.821 2.660 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)c2cc3ccccc3n2CC#N)s[n-]1 ZINC000609172933 480123046 /nfs/dbraw/zinc/12/30/46/480123046.db2.gz KFFMVUOFTDSZTL-UHFFFAOYSA-N -1 0 339.424 2.988 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2cccc(N(C)C)c2)o1 ZINC000291915451 474750456 /nfs/dbraw/zinc/75/04/56/474750456.db2.gz UAAPOZYJNOWEHP-UHFFFAOYSA-N -1 0 336.417 2.511 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000291919507 474752231 /nfs/dbraw/zinc/75/22/31/474752231.db2.gz URAAABXXLJGGBS-UHFFFAOYSA-N -1 0 348.424 2.520 20 30 EFEDRM C=CCCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000291932211 474756947 /nfs/dbraw/zinc/75/69/47/474756947.db2.gz WPSILDVPSVZGSI-UHFFFAOYSA-N -1 0 348.218 2.855 20 30 EFEDRM CCn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C(F)(F)F ZINC000337193922 474772503 /nfs/dbraw/zinc/77/25/03/474772503.db2.gz VAWYGCNGUKBDLO-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(NC(=O)C(C)C)c2)n1 ZINC000344627244 474772635 /nfs/dbraw/zinc/77/26/35/474772635.db2.gz DBOZYZFAMLACRM-LBPRGKRZSA-N -1 0 328.397 2.931 20 30 EFEDRM Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000254995040 474785536 /nfs/dbraw/zinc/78/55/36/474785536.db2.gz RRPLMIZHRXSRMC-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000255027768 474789522 /nfs/dbraw/zinc/78/95/22/474789522.db2.gz VZMAZXSIJIWWAV-KTKRTIGZSA-N -1 0 332.425 2.598 20 30 EFEDRM N#CCCCNC(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000345005784 474824629 /nfs/dbraw/zinc/82/46/29/474824629.db2.gz DXZBQZFXDAVAIC-UHFFFAOYSA-N -1 0 345.472 2.853 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)o1 ZINC000340969864 474832164 /nfs/dbraw/zinc/83/21/64/474832164.db2.gz VJYFBWKFZGORRJ-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)s2)c1-c1ccccc1 ZINC000340969692 474832209 /nfs/dbraw/zinc/83/22/09/474832209.db2.gz MBPAVJGUYABEED-UHFFFAOYSA-N -1 0 344.421 2.821 20 30 EFEDRM Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C#N)o3)cn2)c(C)c1 ZINC000340975012 474837314 /nfs/dbraw/zinc/83/73/14/474837314.db2.gz KTLPSNFPARNSPA-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1 ZINC000345065803 474861471 /nfs/dbraw/zinc/86/14/71/474861471.db2.gz KJAVPRDRGAGCJS-SECBINFHSA-N -1 0 331.353 2.675 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1 ZINC000345065807 474862049 /nfs/dbraw/zinc/86/20/49/474862049.db2.gz KJAVPRDRGAGCJS-VIFPVBQESA-N -1 0 331.353 2.675 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000319440945 474898838 /nfs/dbraw/zinc/89/88/38/474898838.db2.gz HCWORJOJYPRKRM-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000341039750 474905315 /nfs/dbraw/zinc/90/53/15/474905315.db2.gz IPBBBCXKFDWNAM-UHFFFAOYSA-N -1 0 348.449 2.644 20 30 EFEDRM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000341045526 474910889 /nfs/dbraw/zinc/91/08/89/474910889.db2.gz MTNKZHBRTMWJSU-UHFFFAOYSA-N -1 0 342.420 2.583 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)ccc1C#N ZINC000339094854 474922928 /nfs/dbraw/zinc/92/29/28/474922928.db2.gz LAXUPSASFINVPX-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000323717317 474952449 /nfs/dbraw/zinc/95/24/49/474952449.db2.gz NFNOUFGFGRHUOK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CC1=NN(c2ccc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)cc2)CC1 ZINC000345169468 474957529 /nfs/dbraw/zinc/95/75/29/474957529.db2.gz AIIFAJPDXSQIJL-UHFFFAOYSA-N -1 0 336.399 2.596 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000324100821 474960371 /nfs/dbraw/zinc/96/03/71/474960371.db2.gz JLBRHCBCQCDKNF-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000324103287 474960594 /nfs/dbraw/zinc/96/05/94/474960594.db2.gz JZLRUJNDOMXSBL-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)cc1 ZINC000339133810 474964092 /nfs/dbraw/zinc/96/40/92/474964092.db2.gz AAXQKSLDTKHLDM-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)c1 ZINC000339134899 474965441 /nfs/dbraw/zinc/96/54/41/474965441.db2.gz XWEHZEJPFMGZNG-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OCC ZINC000326690676 475010911 /nfs/dbraw/zinc/01/09/11/475010911.db2.gz SXFJNDOOPSZRHW-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000285519078 475027648 /nfs/dbraw/zinc/02/76/48/475027648.db2.gz GMSWHBCUWZTMEA-UHFFFAOYSA-N -1 0 334.775 2.655 20 30 EFEDRM C=CCC(C)(C)CNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000293784758 475053581 /nfs/dbraw/zinc/05/35/81/475053581.db2.gz NZXIXVYLLPIEQH-UHFFFAOYSA-N -1 0 330.432 2.703 20 30 EFEDRM C=CCC(C)(C)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000293859045 475055105 /nfs/dbraw/zinc/05/51/05/475055105.db2.gz VVXLERYKFHWECI-UHFFFAOYSA-N -1 0 345.468 2.794 20 30 EFEDRM COCCCCc1cccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000292502157 475060186 /nfs/dbraw/zinc/06/01/86/475060186.db2.gz JXNMDZOZMNDDHM-UHFFFAOYSA-N -1 0 345.424 2.723 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@@H]3CCCOC3)cc2)[n-]1 ZINC000329395065 475085627 /nfs/dbraw/zinc/08/56/27/475085627.db2.gz VMSHNPAWMHEMTI-MRXNPFEDSA-N -1 0 338.411 2.904 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cccc(Br)c2[O-])cc1 ZINC000609316747 480144905 /nfs/dbraw/zinc/14/49/05/480144905.db2.gz BHYBJUKIPMUKSM-UHFFFAOYSA-N -1 0 331.169 2.956 20 30 EFEDRM O=S1(=O)CCC[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000287218363 475098587 /nfs/dbraw/zinc/09/85/87/475098587.db2.gz NBOWOJNTHHRZRX-UVSFYCKTSA-N -1 0 336.240 2.943 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000345356114 475122350 /nfs/dbraw/zinc/12/23/50/475122350.db2.gz RNFGPBIZQLJNPE-AWEZNQCLSA-N -1 0 343.427 2.616 20 30 EFEDRM CC[C@H]1C[C@H](C([O-])=Nc2cccc(-c3nnnn3C)c2)CC(=O)N1 ZINC000329762053 475127976 /nfs/dbraw/zinc/12/79/76/475127976.db2.gz SFVNGRCTHGVOEM-RYUDHWBXSA-N -1 0 328.376 2.610 20 30 EFEDRM C=CCN=c1[n-]nc(SCCc2nc3ccccc3n2C)s1 ZINC000345369344 475131787 /nfs/dbraw/zinc/13/17/87/475131787.db2.gz PMAPSGYPAPWDQL-UHFFFAOYSA-N -1 0 331.470 2.779 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000269069390 475158093 /nfs/dbraw/zinc/15/80/93/475158093.db2.gz AFPZFDWSIANPHJ-UHFFFAOYSA-N -1 0 336.442 2.946 20 30 EFEDRM Cc1cc(N2CCC(N=C([O-])Cc3cn4ccsc4n3)CC2)n[nH]1 ZINC000329950583 475172374 /nfs/dbraw/zinc/17/23/74/475172374.db2.gz HWZIMVDCTHMFQX-UHFFFAOYSA-N -1 0 344.444 2.595 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s[n-]1 ZINC000330020597 475184956 /nfs/dbraw/zinc/18/49/56/475184956.db2.gz WSAKYUJKSZWEJP-LLVKDONJSA-N -1 0 341.506 2.756 20 30 EFEDRM C#CCOc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262488323 475251034 /nfs/dbraw/zinc/25/10/34/475251034.db2.gz VUUIYDIWDWZBAV-UAGQMJEPSA-N -1 0 327.380 2.557 20 30 EFEDRM C#CCOc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262488321 475251890 /nfs/dbraw/zinc/25/18/90/475251890.db2.gz VUUIYDIWDWZBAV-OIISXLGYSA-N -1 0 327.380 2.557 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000330628513 475260549 /nfs/dbraw/zinc/26/05/49/475260549.db2.gz ZDCQEWBPFMXPQB-QWHCGFSZSA-N -1 0 340.445 2.710 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000341746609 475269340 /nfs/dbraw/zinc/26/93/40/475269340.db2.gz XTYZIEMVZIPWHE-RZFZLAGVSA-N -1 0 342.420 2.552 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NC[C@H](O)C2CCCCC2)s[n-]1 ZINC000330800458 475278382 /nfs/dbraw/zinc/27/83/82/475278382.db2.gz ISRWDNCRZRTOMT-NSHDSACASA-N -1 0 326.466 2.525 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)s[n-]1 ZINC000330872454 475284691 /nfs/dbraw/zinc/28/46/91/475284691.db2.gz YGDKCJQRYCTFJF-QMMMGPOBSA-N -1 0 338.437 2.680 20 30 EFEDRM CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)N1CCCCC1 ZINC000330891533 475288901 /nfs/dbraw/zinc/28/89/01/475288901.db2.gz IFWXDLFFJDISMN-UHFFFAOYSA-N -1 0 345.852 2.807 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000337750350 475294608 /nfs/dbraw/zinc/29/46/08/475294608.db2.gz FRCSXJSDWUYVGD-UHFFFAOYSA-N -1 0 341.396 2.542 20 30 EFEDRM CC[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C1CCOCC1 ZINC000330979463 475298292 /nfs/dbraw/zinc/29/82/92/475298292.db2.gz PBOFSNHBWYLNTJ-LLVKDONJSA-N -1 0 326.466 2.789 20 30 EFEDRM Cc1ccc(C)c(S([O-])=CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000341795213 475308302 /nfs/dbraw/zinc/30/83/02/475308302.db2.gz DGBUHJLJPDMYLT-HSZRJFAPSA-N -1 0 326.421 2.599 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1C#N ZINC000337781109 475317415 /nfs/dbraw/zinc/31/74/15/475317415.db2.gz TUKJBXUMZTZEQX-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)s1 ZINC000331165979 475317857 /nfs/dbraw/zinc/31/78/57/475317857.db2.gz MOCAVVQTMNVHHC-WCQYABFASA-N -1 0 326.466 2.690 20 30 EFEDRM C[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000337822500 475354958 /nfs/dbraw/zinc/35/49/58/475354958.db2.gz PLLQCDYZKLDZIU-BYPYZUCNSA-N -1 0 339.232 2.720 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(-n2cccn2)c1 ZINC000352537776 475391931 /nfs/dbraw/zinc/39/19/31/475391931.db2.gz ZXLKNLYKAYKLHI-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000345768420 475435147 /nfs/dbraw/zinc/43/51/47/475435147.db2.gz DNMXTHTWAUBZSF-KRWDZBQOSA-N -1 0 341.363 2.816 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000346031463 475552484 /nfs/dbraw/zinc/55/24/84/475552484.db2.gz VOTYJVNOQJYQLH-GOSISDBHSA-N -1 0 347.374 2.660 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000342370952 475590258 /nfs/dbraw/zinc/59/02/58/475590258.db2.gz FIIHCLVXBOIEFG-KRWDZBQOSA-N -1 0 341.363 2.816 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc12 ZINC000342366588 475590403 /nfs/dbraw/zinc/59/04/03/475590403.db2.gz JDTNOBAPWGFWOY-CYBMUJFWSA-N -1 0 344.378 2.654 20 30 EFEDRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000342577650 475614653 /nfs/dbraw/zinc/61/46/53/475614653.db2.gz XBWUXBRXCJAHDF-UHFFFAOYSA-N -1 0 346.368 2.989 20 30 EFEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000342783943 475639980 /nfs/dbraw/zinc/63/99/80/475639980.db2.gz QSOZBLHVXOWGME-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1cc(C(F)(F)F)ccn1 ZINC000346581932 475676308 /nfs/dbraw/zinc/67/63/08/475676308.db2.gz IBKUQWHRXHGZSZ-JTQLQIEISA-N -1 0 343.268 2.929 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cn1 ZINC000358500485 475729179 /nfs/dbraw/zinc/72/91/79/475729179.db2.gz VABYJYJVEXIRTP-LLVKDONJSA-N -1 0 346.412 2.671 20 30 EFEDRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000361782047 475746681 /nfs/dbraw/zinc/74/66/81/475746681.db2.gz PYVZBLZLZSUKGP-UHFFFAOYSA-N -1 0 346.408 2.904 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Cl)c1 ZINC000355256421 475782017 /nfs/dbraw/zinc/78/20/17/475782017.db2.gz VAYRELVNLYWRTN-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#CC[C@@H](CC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000361858149 475815018 /nfs/dbraw/zinc/81/50/18/475815018.db2.gz OEUTYLROYRTAIO-LBPRGKRZSA-N -1 0 334.301 2.943 20 30 EFEDRM Cc1nc(-c2ccccc2C)sc1C(=O)N=c1[n-]n(C)cc1C#N ZINC000361867375 475822915 /nfs/dbraw/zinc/82/29/15/475822915.db2.gz ZQHKXQPDWLAZMR-UHFFFAOYSA-N -1 0 337.408 2.706 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000361954262 475894653 /nfs/dbraw/zinc/89/46/53/475894653.db2.gz XCBKMVQPSPULJU-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM COCc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000353416319 475951267 /nfs/dbraw/zinc/95/12/67/475951267.db2.gz MZPWHYFXEXPXSL-SNVBAGLBSA-N -1 0 326.381 2.666 20 30 EFEDRM C=CCNC(=O)C(C)=S([O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000349677245 475985081 /nfs/dbraw/zinc/98/50/81/475985081.db2.gz FWSHIOVHXQDTRB-MLMJSJRWSA-N -1 0 338.429 2.748 20 30 EFEDRM Cc1ccc(Sc2nc(=NC(=O)NCCCC#N)s[n-]2)cc1 ZINC000353526371 476048416 /nfs/dbraw/zinc/04/84/16/476048416.db2.gz AZIQJADWTHJZGY-UHFFFAOYSA-N -1 0 333.442 2.845 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000355839652 476064570 /nfs/dbraw/zinc/06/45/70/476064570.db2.gz XJOIUJHUDKJUHS-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000355844775 476066264 /nfs/dbraw/zinc/06/62/64/476066264.db2.gz OIAVDJIGDOOGIT-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C#N)C(C)C)n2)cc1 ZINC000343678292 476102365 /nfs/dbraw/zinc/10/23/65/476102365.db2.gz UGLYAFUWTRNFBA-OAHLLOKOSA-N -1 0 326.400 2.979 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000336813076 476131740 /nfs/dbraw/zinc/13/17/40/476131740.db2.gz BPDGGYDWEORIDO-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000359033177 476132169 /nfs/dbraw/zinc/13/21/69/476132169.db2.gz GPNIUTRYLDUATD-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=CCN=c1[n-]nc(SCC(=O)c2ccncc2Cl)s1 ZINC000340596537 476137636 /nfs/dbraw/zinc/13/76/36/476137636.db2.gz OMHDXRPCPFSUDD-UHFFFAOYSA-N -1 0 326.834 2.581 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1 ZINC000336852796 476143059 /nfs/dbraw/zinc/14/30/59/476143059.db2.gz YOFDSTXOUXEXPY-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1C#N ZINC000336872625 476154926 /nfs/dbraw/zinc/15/49/26/476154926.db2.gz OZSODNVHPHZROI-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1O ZINC000359075727 476167602 /nfs/dbraw/zinc/16/76/02/476167602.db2.gz ARVJDDNQQRYAJS-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000340639598 476173076 /nfs/dbraw/zinc/17/30/76/476173076.db2.gz UEHKKWGPUYNLBD-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1O ZINC000357093643 476226342 /nfs/dbraw/zinc/22/63/42/476226342.db2.gz XAKKWFYQDYXYFH-UHFFFAOYSA-N -1 0 331.397 2.757 20 30 EFEDRM Cc1cc(=NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[n-]nc1C ZINC000359501217 476241491 /nfs/dbraw/zinc/24/14/91/476241491.db2.gz JCQQBWNKVDADAM-UHFFFAOYSA-N -1 0 348.362 2.811 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C#N ZINC000357165519 476272186 /nfs/dbraw/zinc/27/21/86/476272186.db2.gz PNQVTALWPLJHIT-UHFFFAOYSA-N -1 0 337.408 2.620 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000357168681 476273334 /nfs/dbraw/zinc/27/33/34/476273334.db2.gz JMOMJCLRVRDCNN-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)nn1-c1ccccc1 ZINC000357171519 476274992 /nfs/dbraw/zinc/27/49/92/476274992.db2.gz GFAHYZQLFQAJQN-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350640650 476278069 /nfs/dbraw/zinc/27/80/69/476278069.db2.gz XEJPJEKEGQBDHR-LLVKDONJSA-N -1 0 336.417 2.523 20 30 EFEDRM C=CCn1c(CSc2ccc(C)cc2)n[n-]c1=Nc1cnn(C)c1 ZINC000350730766 476295288 /nfs/dbraw/zinc/29/52/88/476295288.db2.gz VRBROPSCCYYOFS-UHFFFAOYSA-N -1 0 340.456 2.964 20 30 EFEDRM C=CCn1c(COc2ccc(C)c(C)c2)n[n-]c1=Nc1cnn(C)c1 ZINC000350752170 476296560 /nfs/dbraw/zinc/29/65/60/476296560.db2.gz LVBKGXJXNTVSRI-UHFFFAOYSA-N -1 0 338.415 2.559 20 30 EFEDRM O=C([N-]c1n[nH]c(C(F)(F)F)n1)c1c(F)c(F)cc(F)c1F ZINC000360445861 476303928 /nfs/dbraw/zinc/30/39/28/476303928.db2.gz RPVKQQVYWGPAMU-UHFFFAOYSA-N -1 0 328.147 2.632 20 30 EFEDRM COc1ccc2cc([C@@H](C)C(=O)N=c3[nH][n-]c(C)c3C#N)ccc2c1 ZINC000357251291 476305292 /nfs/dbraw/zinc/30/52/92/476305292.db2.gz ZZXVWKMCHIKRPK-LLVKDONJSA-N -1 0 334.379 2.916 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(C#N)c1 ZINC000360581438 476308327 /nfs/dbraw/zinc/30/83/27/476308327.db2.gz KVEFFCQJQJNULA-NSHDSACASA-N -1 0 333.351 2.791 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357299811 476322102 /nfs/dbraw/zinc/32/21/02/476322102.db2.gz JFWLZBDXQQQTTJ-UHFFFAOYSA-N -1 0 341.352 2.813 20 30 EFEDRM CC#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000353944998 476332358 /nfs/dbraw/zinc/33/23/58/476332358.db2.gz YQQGTPYCQHAKOS-UHFFFAOYSA-N -1 0 348.449 2.692 20 30 EFEDRM C=CCn1c(-c2cccc(C#N)c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000351109252 476339785 /nfs/dbraw/zinc/33/97/85/476339785.db2.gz AIFGPNMYASEIEF-UHFFFAOYSA-N -1 0 333.399 2.519 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)ccc1C#N ZINC000357345394 476340110 /nfs/dbraw/zinc/34/01/10/476340110.db2.gz RUITYNNXZXFGBS-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)n[nH]c1C1CC1 ZINC000362673496 476347436 /nfs/dbraw/zinc/34/74/36/476347436.db2.gz OCKMOBMGUNPTND-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1C(F)(F)F ZINC000357391436 476355239 /nfs/dbraw/zinc/35/52/39/476355239.db2.gz QOAIIHDDEDVALX-UHFFFAOYSA-N -1 0 341.314 2.503 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)ccc1C#N ZINC000360799562 476396203 /nfs/dbraw/zinc/39/62/03/476396203.db2.gz UUBGUULRSZTZDZ-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)nc3)nc2cc1F ZINC000360800855 476396867 /nfs/dbraw/zinc/39/68/67/476396867.db2.gz INQFAIBZNOKLPN-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM N#CC1(c2ccccn2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000374378957 476477427 /nfs/dbraw/zinc/47/74/27/476477427.db2.gz UQLPWBOTFDJUPY-UHFFFAOYSA-N -1 0 343.333 2.763 20 30 EFEDRM CCc1cccc(C)c1N=c1[n-]nc(SC[C@H](O)CC#N)s1 ZINC000352153438 476526884 /nfs/dbraw/zinc/52/68/84/476526884.db2.gz MMYWPSBGVOZSFD-GFCCVEGCSA-N -1 0 334.470 2.941 20 30 EFEDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000352238579 476577285 /nfs/dbraw/zinc/57/72/85/476577285.db2.gz VEKUPILDTHIZNS-LLVKDONJSA-N -1 0 331.335 2.712 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)o1 ZINC000361119472 476613397 /nfs/dbraw/zinc/61/33/97/476613397.db2.gz JICXLMNGNSLVJB-UHFFFAOYSA-N -1 0 342.336 2.534 20 30 EFEDRM COC(=O)c1coc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000354367801 476615009 /nfs/dbraw/zinc/61/50/09/476615009.db2.gz VPUYJEFWDRTPFY-JTQLQIEISA-N -1 0 338.241 2.970 20 30 EFEDRM CCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354414624 476647542 /nfs/dbraw/zinc/64/75/42/476647542.db2.gz NFDGMKSEIGRSDX-GFCCVEGCSA-N -1 0 328.353 2.987 20 30 EFEDRM Cc1ccc(-c2nnc(S(=O)(=O)Cc3ccccc3C#N)[n-]2)cc1 ZINC000429899652 476712189 /nfs/dbraw/zinc/71/21/89/476712189.db2.gz ZNYRWQLSHCVISI-UHFFFAOYSA-N -1 0 338.392 2.626 20 30 EFEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000366066576 476844465 /nfs/dbraw/zinc/84/44/65/476844465.db2.gz XBJIGJBOEVAHSG-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000398092882 476868769 /nfs/dbraw/zinc/86/87/69/476868769.db2.gz YXYSSMXFVVIURT-CYBMUJFWSA-N -1 0 341.429 2.563 20 30 EFEDRM Cc1cc(CN=c2[n-]nc([C@H]3COc4ccccc4O3)o2)ccc1C#N ZINC000446966669 476938543 /nfs/dbraw/zinc/93/85/43/476938543.db2.gz PNWMSSHVVVTMNX-QGZVFWFLSA-N -1 0 348.362 2.796 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CC#N ZINC000447634359 477027653 /nfs/dbraw/zinc/02/76/53/477027653.db2.gz PBRRYOJSYMVIGO-UHFFFAOYSA-N -1 0 347.371 2.787 20 30 EFEDRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccccc3C#N)cccc21 ZINC000447786999 477053307 /nfs/dbraw/zinc/05/33/07/477053307.db2.gz IKWNPFPTNBILFE-HNNXBMFYSA-N -1 0 344.392 2.829 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c1C#N ZINC000431677212 477073348 /nfs/dbraw/zinc/07/33/48/477073348.db2.gz CJYSRJNFAOKVAJ-NEPJUHHUSA-N -1 0 345.200 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)c1C#N ZINC000431685775 477075155 /nfs/dbraw/zinc/07/51/55/477075155.db2.gz LDEHAJGZECNBCB-UHFFFAOYSA-N -1 0 347.300 2.775 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](SCc2ccccc2)C(C)C)c1C#N ZINC000431691764 477077511 /nfs/dbraw/zinc/07/75/11/477077511.db2.gz NQUQFQUXXOOORL-HNNXBMFYSA-N -1 0 328.441 2.908 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000431991097 477135373 /nfs/dbraw/zinc/13/53/73/477135373.db2.gz CEILXSUAOHOVQV-UHFFFAOYSA-N -1 0 326.352 2.916 20 30 EFEDRM N#CCSc1cccc(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1 ZINC000448515544 477183125 /nfs/dbraw/zinc/18/31/25/477183125.db2.gz RCYZJOALXKYWNQ-UHFFFAOYSA-N -1 0 326.303 2.718 20 30 EFEDRM CC(C)(C)c1[n-]n(Cc2nnc3n2CCCCC3)c(=O)c1CCC#N ZINC000432490780 477225250 /nfs/dbraw/zinc/22/52/50/477225250.db2.gz ADSWJMZDPPUJPB-UHFFFAOYSA-N -1 0 342.447 2.709 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1nc(SC)[n-]s1 ZINC000416899692 477360318 /nfs/dbraw/zinc/36/03/18/477360318.db2.gz GOSNMSXXTGKVGI-GFCCVEGCSA-N -1 0 334.470 2.991 20 30 EFEDRM CSc1nc(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)s[n-]1 ZINC000416905322 477363480 /nfs/dbraw/zinc/36/34/80/477363480.db2.gz QKSUTWCQANWRAG-LBPRGKRZSA-N -1 0 345.453 2.753 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OC[C@H]1CCCO1 ZINC000416933343 477376309 /nfs/dbraw/zinc/37/63/09/477376309.db2.gz ARHMZFHKKQFRQT-KGLIPLIRSA-N -1 0 338.429 2.597 20 30 EFEDRM CCOc1ccc(Br)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416938915 477379159 /nfs/dbraw/zinc/37/91/59/477379159.db2.gz MAXHLVQMQMGEGG-JTQLQIEISA-N -1 0 347.234 2.892 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000416949487 477382856 /nfs/dbraw/zinc/38/28/56/477382856.db2.gz CYYRAKCCBIZDTF-ZETCQYMHSA-N -1 0 339.161 2.771 20 30 EFEDRM CC(C)(CCNc1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC000424376810 477383353 /nfs/dbraw/zinc/38/33/53/477383353.db2.gz PTKHZFAQXIFAFI-UHFFFAOYSA-N -1 0 340.427 2.819 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@H](C)COC ZINC000416951063 477383751 /nfs/dbraw/zinc/38/37/51/477383751.db2.gz FTEKFHSXDVJUHB-PWSUYJOCSA-N -1 0 346.836 2.798 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000416957924 477386467 /nfs/dbraw/zinc/38/64/67/477386467.db2.gz OLZQIIDNTDURKB-SECBINFHSA-N -1 0 340.298 2.811 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000416957947 477386704 /nfs/dbraw/zinc/38/67/04/477386704.db2.gz OLZQIIDNTDURKB-VIFPVBQESA-N -1 0 340.298 2.811 20 30 EFEDRM CCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1cccc(C)c1 ZINC000416962711 477390267 /nfs/dbraw/zinc/39/02/67/477390267.db2.gz RAGVCMCRBDSCQM-AWEZNQCLSA-N -1 0 332.429 2.787 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424446386 477411013 /nfs/dbraw/zinc/41/10/13/477411013.db2.gz GBKOAHPCXDOCBC-HNNXBMFYSA-N -1 0 334.416 2.798 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000424592246 477445023 /nfs/dbraw/zinc/44/50/23/477445023.db2.gz BITRNPVPZZGWIO-JTQLQIEISA-N -1 0 348.380 2.540 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000417147231 477447169 /nfs/dbraw/zinc/44/71/69/477447169.db2.gz ZIVMBICUMPFQDO-JSGCOSHPSA-N -1 0 346.456 2.976 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N=c3[n-]nc(C(F)F)s3)on2)c1 ZINC000436455538 477483673 /nfs/dbraw/zinc/48/36/73/477483673.db2.gz YTDWNGPSWWQAKH-UHFFFAOYSA-N -1 0 347.306 2.677 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000424968382 477578014 /nfs/dbraw/zinc/57/80/14/477578014.db2.gz WCKZUOBTEFCEBX-CMPLNLGQSA-N -1 0 330.775 2.653 20 30 EFEDRM C=CCSCCNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436849378 477610913 /nfs/dbraw/zinc/61/09/13/477610913.db2.gz SMBAEMOFUKOPOM-UHFFFAOYSA-N -1 0 334.210 2.943 20 30 EFEDRM CCc1ccccc1-n1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1 ZINC000420243457 477647242 /nfs/dbraw/zinc/64/72/42/477647242.db2.gz PXYJEVWSAGHHBI-OAHLLOKOSA-N -1 0 346.394 2.727 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965296 477650844 /nfs/dbraw/zinc/65/08/44/477650844.db2.gz SYPWIGIQXPCSLK-UHFFFAOYSA-N -1 0 342.311 2.630 20 30 EFEDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000437006566 477662528 /nfs/dbraw/zinc/66/25/28/477662528.db2.gz VZRHZWHCVDZNFX-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(N)=O)o1 ZINC000437229623 477686321 /nfs/dbraw/zinc/68/63/21/477686321.db2.gz UZYXRSNHUSSHOR-SNVBAGLBSA-N -1 0 329.381 2.883 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2sccc2F)n1 ZINC000450974897 477780598 /nfs/dbraw/zinc/78/05/98/477780598.db2.gz NPHJBZXFMCZIOV-UHFFFAOYSA-N -1 0 328.394 2.511 20 30 EFEDRM C[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455907180 477781027 /nfs/dbraw/zinc/78/10/27/477781027.db2.gz AFWYBIVJDBWHKY-KBXCAEBGSA-N -1 0 336.391 2.814 20 30 EFEDRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000451042811 477800331 /nfs/dbraw/zinc/80/03/31/477800331.db2.gz DWLCIYMKRVIKEU-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cn1C ZINC000451087167 477815821 /nfs/dbraw/zinc/81/58/21/477815821.db2.gz ONYNHNVBOUIYGV-UHFFFAOYSA-N -1 0 348.428 2.578 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1C#N ZINC000451085127 477816095 /nfs/dbraw/zinc/81/60/95/477816095.db2.gz BNIJUKVCMIXAOY-UHFFFAOYSA-N -1 0 329.425 2.683 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C#N)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460547763 477862524 /nfs/dbraw/zinc/86/25/24/477862524.db2.gz NLPIZDUKFNFWCH-UHFFFAOYSA-N -1 0 333.399 2.898 20 30 EFEDRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CC#N)c2)c1 ZINC000531747585 477910347 /nfs/dbraw/zinc/91/03/47/477910347.db2.gz ZJGLCBFJTMPKCR-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c(C)c1 ZINC000531907733 477914468 /nfs/dbraw/zinc/91/44/68/477914468.db2.gz OKIIEEFJUHIKAH-UHFFFAOYSA-N -1 0 331.397 2.656 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000532162987 477919373 /nfs/dbraw/zinc/91/93/73/477919373.db2.gz KXVVOLUEWKSFFE-UHFFFAOYSA-N -1 0 338.392 2.805 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c(C)c1C ZINC000532162645 477919716 /nfs/dbraw/zinc/91/97/16/477919716.db2.gz HUPCQEDQDXKQRT-UHFFFAOYSA-N -1 0 331.397 2.574 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000439251766 477949996 /nfs/dbraw/zinc/94/99/96/477949996.db2.gz XDKLTWVZRPIZHW-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM C=CCN(C(=O)Nc1nccs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000559413666 477981916 /nfs/dbraw/zinc/98/19/16/477981916.db2.gz QOUYTDDKQABDDK-ZDUSSCGKSA-N -1 0 331.397 2.859 20 30 EFEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cccc(C#N)c1C ZINC000421148683 477982629 /nfs/dbraw/zinc/98/26/29/477982629.db2.gz HBDLUGNXYRJTNT-KRWDZBQOSA-N -1 0 344.436 2.866 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421158180 477987137 /nfs/dbraw/zinc/98/71/37/477987137.db2.gz UBWQFAQXRNJVOD-AWEZNQCLSA-N -1 0 340.445 2.760 20 30 EFEDRM C=C(C)COCCNC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000559571747 477989791 /nfs/dbraw/zinc/98/97/91/477989791.db2.gz BEJVFKQLWQWXII-UHFFFAOYSA-N -1 0 340.807 2.529 20 30 EFEDRM C=CCn1c(=N)[n-]nc1SCc1ccc(C#N)cc1OC(F)F ZINC000439536575 477999154 /nfs/dbraw/zinc/99/91/54/477999154.db2.gz NEHUKWCAQVCDGY-UHFFFAOYSA-N -1 0 337.355 2.642 20 30 EFEDRM N#Cc1nc(NC(=O)CCCCC(=O)c2ccc(F)cc2)[n-]c1C#N ZINC000428891107 478003191 /nfs/dbraw/zinc/00/31/91/478003191.db2.gz GKKAHOKNBCBKGL-UHFFFAOYSA-N -1 0 339.330 2.674 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n(CCC#N)n1 ZINC000559964957 478008831 /nfs/dbraw/zinc/00/88/31/478008831.db2.gz RPWUDGWDNFDEQR-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM CC(C)n1nc2c(c1[N-]S(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000471907774 478011224 /nfs/dbraw/zinc/01/12/24/478011224.db2.gz VUTHNODPHCWZBG-UHFFFAOYSA-N -1 0 330.413 2.625 20 30 EFEDRM N#CC1(F)CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000478984642 478022404 /nfs/dbraw/zinc/02/24/04/478022404.db2.gz FWTSOSTXBJMRRH-ONEGZZNKSA-N -1 0 347.375 2.583 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000517005375 478031047 /nfs/dbraw/zinc/03/10/47/478031047.db2.gz XAQKUXNYYZGKDL-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM N#Cc1ccc(F)c(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000486939279 478031387 /nfs/dbraw/zinc/03/13/87/478031387.db2.gz IVLOPZMXBVDXDW-UHFFFAOYSA-N -1 0 339.286 2.690 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C(F)F)n1 ZINC000533177031 478044265 /nfs/dbraw/zinc/04/42/65/478044265.db2.gz NEWPOIITQVGCRF-SECBINFHSA-N -1 0 329.310 2.734 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)CC1 ZINC000517068139 478046664 /nfs/dbraw/zinc/04/66/64/478046664.db2.gz PPGLOOCYEYHHJX-UHFFFAOYSA-N -1 0 339.380 2.798 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000517271170 478074791 /nfs/dbraw/zinc/07/47/91/478074791.db2.gz XDYARWKDUHWPEI-LBPRGKRZSA-N -1 0 341.360 2.578 20 30 EFEDRM COC(=O)c1cccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000517675290 478111698 /nfs/dbraw/zinc/11/16/98/478111698.db2.gz MKOIMDXRKCBDOL-UHFFFAOYSA-N -1 0 342.399 2.572 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nc2ccccc2o1 ZINC000533867715 478116932 /nfs/dbraw/zinc/11/69/32/478116932.db2.gz CFZUGTJYVZQOIB-HNNXBMFYSA-N -1 0 348.362 2.549 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000488859018 478192428 /nfs/dbraw/zinc/19/24/28/478192428.db2.gz RXKVMJWBVSAIIO-UHFFFAOYSA-N -1 0 342.399 2.930 20 30 EFEDRM C=C(CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000488895230 478197117 /nfs/dbraw/zinc/19/71/17/478197117.db2.gz WBXRJANIFNPUBY-UHFFFAOYSA-N -1 0 348.399 2.640 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n(CCC#N)n1 ZINC000535737021 478224393 /nfs/dbraw/zinc/22/43/93/478224393.db2.gz BVUFTGFWYCRXOH-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM CC(C)c1n[n-]c(=NC2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000590696189 478295899 /nfs/dbraw/zinc/29/58/99/478295899.db2.gz IZYXHRBOGVJQDI-UHFFFAOYSA-N -1 0 327.388 2.684 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594257799 478307075 /nfs/dbraw/zinc/30/70/75/478307075.db2.gz CQTBZAPPJXJQPR-SECBINFHSA-N -1 0 336.317 2.848 20 30 EFEDRM C=CCCCN(C)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000579828776 478348477 /nfs/dbraw/zinc/34/84/77/478348477.db2.gz PSWTYRUKGOOJQS-UHFFFAOYSA-N -1 0 334.397 2.520 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)[n-]1 ZINC000590819289 478355065 /nfs/dbraw/zinc/35/50/65/478355065.db2.gz FHPFCLYSOTWSJX-DOTOQJQBSA-N -1 0 337.427 2.809 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC000570447917 478362225 /nfs/dbraw/zinc/36/22/25/478362225.db2.gz DFSUIUXADOBKEK-GFCCVEGCSA-N -1 0 341.429 2.554 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1 ZINC000490672186 478369056 /nfs/dbraw/zinc/36/90/56/478369056.db2.gz ZGNNGCAWZAUBQK-OAHLLOKOSA-N -1 0 345.399 2.884 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000581177554 478375048 /nfs/dbraw/zinc/37/50/48/478375048.db2.gz JFUFYNUSSMARLT-GFCCVEGCSA-N -1 0 344.440 2.808 20 30 EFEDRM C#CCN(CC)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000490738609 478379837 /nfs/dbraw/zinc/37/98/37/478379837.db2.gz BIFQDONQYKJLMU-UHFFFAOYSA-N -1 0 326.381 2.860 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)C(=O)[O-] ZINC000581532905 478380945 /nfs/dbraw/zinc/38/09/45/478380945.db2.gz RRGMWRSPNHMNHJ-HIFRSBDPSA-N -1 0 349.406 2.513 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)s1 ZINC000581611160 478402133 /nfs/dbraw/zinc/40/21/33/478402133.db2.gz PSESJBHLFACWCF-GFCCVEGCSA-N -1 0 330.475 2.985 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000490915720 478403706 /nfs/dbraw/zinc/40/37/06/478403706.db2.gz OKAVYTXJKMZLGO-UHFFFAOYSA-N -1 0 341.338 2.565 20 30 EFEDRM CC(C)(C)OC(=O)NCCCN=Nc1ccc(C(=O)[O-])cc1F ZINC000495923080 478413838 /nfs/dbraw/zinc/41/38/38/478413838.db2.gz RJMUXKZOXNQDCE-UHFFFAOYSA-N -1 0 325.340 2.836 20 30 EFEDRM CCOC(=O)c1sc([N-]C(=O)c2cc(OCC)no2)c(C#N)c1C ZINC000590975062 478424701 /nfs/dbraw/zinc/42/47/01/478424701.db2.gz VUIGNIDEEADVTC-UHFFFAOYSA-N -1 0 349.368 2.744 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000594537765 478428876 /nfs/dbraw/zinc/42/88/76/478428876.db2.gz LYIGSTFODNXNJF-ULQDDVLXSA-N -1 0 343.427 2.825 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000570740176 478434671 /nfs/dbraw/zinc/43/46/71/478434671.db2.gz JFNBFJNAHRDNKB-JQEJTAMCSA-N -1 0 348.443 2.986 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)ccc1Cl ZINC000594577165 478446082 /nfs/dbraw/zinc/44/60/82/478446082.db2.gz SXBXOUPYVGPDDO-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000491141911 478452356 /nfs/dbraw/zinc/45/23/56/478452356.db2.gz BYOKVGIFRMVXPN-UHFFFAOYSA-N -1 0 332.454 2.739 20 30 EFEDRM CCOc1ccc(C[C@@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1 ZINC000591080418 478455408 /nfs/dbraw/zinc/45/54/08/478455408.db2.gz YFNJDDIMOGRJEQ-GFCCVEGCSA-N -1 0 338.411 2.797 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC ZINC000600665892 478459984 /nfs/dbraw/zinc/45/99/84/478459984.db2.gz ZTYVYZDAYWCVHU-UHFFFAOYSA-N -1 0 336.369 2.749 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1C#N ZINC000591088385 478461018 /nfs/dbraw/zinc/46/10/18/478461018.db2.gz MHZLWXKIDDLASR-DGCLKSJQSA-N -1 0 331.441 2.937 20 30 EFEDRM N#Cc1nc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1Cl ZINC000600678396 478465795 /nfs/dbraw/zinc/46/57/95/478465795.db2.gz PRJVGSKTGIDRAT-SFYZADRCSA-N -1 0 333.697 2.696 20 30 EFEDRM C=CCc1cc(CNc2nc(C(=O)[O-])c(C)s2)cc(OC)c1OC ZINC000563208471 478482384 /nfs/dbraw/zinc/48/23/84/478482384.db2.gz YGLOCFNBXTUSRZ-UHFFFAOYSA-N -1 0 348.424 2.929 20 30 EFEDRM C[C@H](Cc1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1)C(=O)[O-] ZINC000582006279 478488188 /nfs/dbraw/zinc/48/81/88/478488188.db2.gz FOKVQAYPSOOPMI-GFCCVEGCSA-N -1 0 338.429 2.631 20 30 EFEDRM N#CC1(CNC(=O)N(CCc2ccccc2)CC(=O)[O-])CCCCC1 ZINC000594690114 478494836 /nfs/dbraw/zinc/49/48/36/478494836.db2.gz FACQBUHCIUJBLH-UHFFFAOYSA-N -1 0 343.427 2.799 20 30 EFEDRM COc1cccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000594690713 478496543 /nfs/dbraw/zinc/49/65/43/478496543.db2.gz NSKWTVQXFASJDO-OAHLLOKOSA-N -1 0 345.399 2.594 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC000594691232 478496565 /nfs/dbraw/zinc/49/65/65/478496565.db2.gz SBFJPVMIJMHSKN-QGZVFWFLSA-N -1 0 343.427 2.824 20 30 EFEDRM CN(C(=O)NCC1(C#N)CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000594690498 478496612 /nfs/dbraw/zinc/49/66/12/478496612.db2.gz JYTSWOBPLHOKLA-INIZCTEOSA-N -1 0 343.427 2.798 20 30 EFEDRM C[C@](NC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000594690134 478496709 /nfs/dbraw/zinc/49/67/09/478496709.db2.gz FOUNVZMCKGPKMY-QGZVFWFLSA-N -1 0 347.390 2.899 20 30 EFEDRM C[C@@](NC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000594690133 478496720 /nfs/dbraw/zinc/49/67/20/478496720.db2.gz FOUNVZMCKGPKMY-KRWDZBQOSA-N -1 0 347.390 2.899 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000594697875 478500837 /nfs/dbraw/zinc/50/08/37/478500837.db2.gz TVCSDXKCDODHFR-UHFFFAOYSA-N -1 0 331.372 2.676 20 30 EFEDRM N#CCC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000591269878 478503375 /nfs/dbraw/zinc/50/33/75/478503375.db2.gz LKEPCANZZDULBE-UHFFFAOYSA-N -1 0 341.411 2.968 20 30 EFEDRM N#Cc1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000591269393 478503966 /nfs/dbraw/zinc/50/39/66/478503966.db2.gz BLSQKXSLWXDFAS-UHFFFAOYSA-N -1 0 335.791 2.654 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000591270012 478503981 /nfs/dbraw/zinc/50/39/81/478503981.db2.gz PQKKRQKXIZVZMG-CVEARBPZSA-N -1 0 329.400 2.723 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1 ZINC000594725748 478515560 /nfs/dbraw/zinc/51/55/60/478515560.db2.gz JFIXVHBXLTTXFE-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000496083692 478526137 /nfs/dbraw/zinc/52/61/37/478526137.db2.gz NTFAFGZFGSUUEJ-UHFFFAOYSA-N -1 0 348.403 2.825 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541000480 478528236 /nfs/dbraw/zinc/52/82/36/478528236.db2.gz GUZLOKRNGIFMJM-KRWDZBQOSA-N -1 0 337.441 2.533 20 30 EFEDRM C=CCOc1ccc(C=CC(=O)Nc2n[nH]c(SC)n2)cc1OC ZINC000491386638 478531917 /nfs/dbraw/zinc/53/19/17/478531917.db2.gz PNIWWXZBCFMHHV-VURMDHGXSA-N -1 0 346.412 2.752 20 30 EFEDRM N#Cc1cc(NC(=O)NCCCCC(=O)[O-])ccc1OC(F)(F)F ZINC000591353500 478533175 /nfs/dbraw/zinc/53/31/75/478533175.db2.gz ZXSDEMIUPVTXGV-UHFFFAOYSA-N -1 0 345.277 2.833 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C(=O)[O-] ZINC000571164193 478535386 /nfs/dbraw/zinc/53/53/86/478535386.db2.gz MDIFAQXJDSWUDW-CZUORRHYSA-N -1 0 334.416 2.592 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000597909992 478569888 /nfs/dbraw/zinc/56/98/88/478569888.db2.gz SQNVXYCADAKDKT-GFCCVEGCSA-N -1 0 344.802 2.997 20 30 EFEDRM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)CCC(C)(C)C#N ZINC000563539815 478582344 /nfs/dbraw/zinc/58/23/44/478582344.db2.gz XPGAZBIFBZSPJD-UHFFFAOYSA-N -1 0 342.442 2.788 20 30 EFEDRM CC(C)c1nc(=N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s[n-]1 ZINC000541869237 478602374 /nfs/dbraw/zinc/60/23/74/478602374.db2.gz QRQDSUJSONLKLH-CQSZACIVSA-N -1 0 341.440 2.563 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000591691995 478608119 /nfs/dbraw/zinc/60/81/19/478608119.db2.gz FVDBNNFDIRXFFU-CYBMUJFWSA-N -1 0 337.807 2.758 20 30 EFEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=NN=c1ccc(Cl)n[n-]1 ZINC000496215268 478615317 /nfs/dbraw/zinc/61/53/17/478615317.db2.gz WTGOKMXOPXAJER-SNVBAGLBSA-N -1 0 339.827 2.597 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccc(F)cc1 ZINC000491679459 478629504 /nfs/dbraw/zinc/62/95/04/478629504.db2.gz FHVRJSZSUIEPME-QGZVFWFLSA-N -1 0 349.365 2.717 20 30 EFEDRM COc1ccc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)cc1OCCCC#N ZINC000601064452 478637079 /nfs/dbraw/zinc/63/70/79/478637079.db2.gz NJPPMHWERXLAIZ-GXTWGEPZSA-N -1 0 342.399 2.918 20 30 EFEDRM COc1ccc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)cc1OCCCC#N ZINC000601064458 478637126 /nfs/dbraw/zinc/63/71/26/478637126.db2.gz NJPPMHWERXLAIZ-TZMCWYRMSA-N -1 0 342.399 2.918 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCC(=O)[O-])Cc1ccccc1Cl ZINC000563816036 478640036 /nfs/dbraw/zinc/64/00/36/478640036.db2.gz YAFDIJVXPMRQOW-UHFFFAOYSA-N -1 0 331.821 2.523 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(S[C@H](C#N)C3CC3)s2)cc1 ZINC000601074386 478643151 /nfs/dbraw/zinc/64/31/51/478643151.db2.gz QHFVWIPEYZKXFI-CYBMUJFWSA-N -1 0 332.454 2.975 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000582624673 478644682 /nfs/dbraw/zinc/64/46/82/478644682.db2.gz TVYJFMAJWVHUPN-UHFFFAOYSA-N -1 0 330.413 2.724 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCC1=NNCC(=O)[O-] ZINC000496291706 478644582 /nfs/dbraw/zinc/64/45/82/478644582.db2.gz GTGKWMWZAWWMSU-JSGCOSHPSA-N -1 0 339.436 2.606 20 30 EFEDRM C#C[C@H](N=c1nc(CCOC)[n-]s1)c1ccc(Cl)cc1F ZINC000491732334 478652299 /nfs/dbraw/zinc/65/22/99/478652299.db2.gz HTGHNEQHWOCNAQ-LBPRGKRZSA-N -1 0 325.796 2.728 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1OC ZINC000571685899 478655302 /nfs/dbraw/zinc/65/53/02/478655302.db2.gz QGTGBHPHFPVTGR-TZMCWYRMSA-N -1 0 335.400 2.879 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC000571745635 478667738 /nfs/dbraw/zinc/66/77/38/478667738.db2.gz IVIXBDBBYHXSTM-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000491769383 478669133 /nfs/dbraw/zinc/66/91/33/478669133.db2.gz NDTWSDDZUMWOOC-GFCCVEGCSA-N -1 0 348.449 2.643 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccoc1C([O-])=C(C#N)c1ccncn1 ZINC000496564822 478670935 /nfs/dbraw/zinc/67/09/35/478670935.db2.gz NANQRAUXWDHWFE-JTQLQIEISA-N -1 0 328.328 2.907 20 30 EFEDRM C[C@H](C#N)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000598135343 478673209 /nfs/dbraw/zinc/67/32/09/478673209.db2.gz STCUOTHLRKNTEX-SNVBAGLBSA-N -1 0 330.775 2.748 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000564096695 478693937 /nfs/dbraw/zinc/69/39/37/478693937.db2.gz PKMYMUHFUXDKAU-UHFFFAOYSA-N -1 0 325.430 2.729 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000598191223 478698494 /nfs/dbraw/zinc/69/84/94/478698494.db2.gz MRUJHZZTOAUKQL-LBPRGKRZSA-N -1 0 328.441 2.847 20 30 EFEDRM C=CCCSCCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000595263483 478707691 /nfs/dbraw/zinc/70/76/91/478707691.db2.gz QQHDYXMCXDXTTR-KRWDZBQOSA-N -1 0 336.457 2.637 20 30 EFEDRM Cc1ccc(=NN=C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[n-]n1 ZINC000497073702 478724972 /nfs/dbraw/zinc/72/49/72/478724972.db2.gz PZKWSYQDACSEFA-KGLIPLIRSA-N -1 0 333.436 2.640 20 30 EFEDRM C=CCc1cc(CNC(=O)C[C@H](C)CC(=O)[O-])cc(OC)c1OC ZINC000564348184 478729062 /nfs/dbraw/zinc/72/90/62/478729062.db2.gz LAGZLJWXLDKOOS-LBPRGKRZSA-N -1 0 335.400 2.549 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1=NN=c1ccc(Cl)n[n-]1 ZINC000491899170 478728957 /nfs/dbraw/zinc/72/89/57/478728957.db2.gz UYMHMPWYJKZEAC-SNVBAGLBSA-N -1 0 339.827 2.645 20 30 EFEDRM CC[C@@H](NN=C1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000497175047 478735461 /nfs/dbraw/zinc/73/54/61/478735461.db2.gz CQMKWJSMAAJJIW-KGLIPLIRSA-N -1 0 347.415 2.813 20 30 EFEDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC000497225030 478741263 /nfs/dbraw/zinc/74/12/63/478741263.db2.gz FPZIIBZDQHLOFE-UHFFFAOYSA-N -1 0 345.380 2.846 20 30 EFEDRM N#CCC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000583011863 478742483 /nfs/dbraw/zinc/74/24/83/478742483.db2.gz RXUWVUJJPINSDN-HOCLYGCPSA-N -1 0 329.400 2.928 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OC1CCCCC1 ZINC000497279025 478747587 /nfs/dbraw/zinc/74/75/87/478747587.db2.gz MZDUGNKPVJJFLD-CQSZACIVSA-N -1 0 339.436 2.954 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nnc(C(F)(F)F)s2)s1 ZINC000564574270 478763370 /nfs/dbraw/zinc/76/33/70/478763370.db2.gz CYLNKFBGBAVSNN-UHFFFAOYSA-N -1 0 325.366 2.579 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000583192753 478786560 /nfs/dbraw/zinc/78/65/60/478786560.db2.gz BCVNMMWUMQSMTP-JTQLQIEISA-N -1 0 330.331 2.655 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(CC#N)CC2)n1 ZINC000543835169 478792351 /nfs/dbraw/zinc/79/23/51/478792351.db2.gz NUZRXLXQSQWQKL-UHFFFAOYSA-N -1 0 338.411 2.906 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000572313608 478804144 /nfs/dbraw/zinc/80/41/44/478804144.db2.gz ACTJHAYJRGXNOB-LLVKDONJSA-N -1 0 329.443 2.879 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000583261610 478806077 /nfs/dbraw/zinc/80/60/77/478806077.db2.gz WVIRCACGTXAFFP-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000564801385 478815921 /nfs/dbraw/zinc/81/59/21/478815921.db2.gz UXZDKWRSYYCWDP-GDBMZVCRSA-N -1 0 335.425 2.924 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592212899 478828381 /nfs/dbraw/zinc/82/83/81/478828381.db2.gz JDDLNBGMPNFAOY-YYIAUSFCSA-N -1 0 341.411 2.721 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592212897 478828534 /nfs/dbraw/zinc/82/85/34/478828534.db2.gz JDDLNBGMPNFAOY-QZWWFDLISA-N -1 0 341.411 2.721 20 30 EFEDRM N#CCCC1CCN(C(=O)N=c2[n-]nc(CC(F)(F)F)s2)CC1 ZINC000592238787 478837733 /nfs/dbraw/zinc/83/77/33/478837733.db2.gz QFUXUDBLKYDPCF-UHFFFAOYSA-N -1 0 347.366 2.612 20 30 EFEDRM COC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F ZINC000492132055 478839781 /nfs/dbraw/zinc/83/97/81/478839781.db2.gz KFGRVZUUYJTHQZ-UHFFFAOYSA-N -1 0 329.287 2.834 20 30 EFEDRM COc1ccccc1N=c1[n-]nc(Sc2cc(C#N)ncn2)s1 ZINC000572462731 478840742 /nfs/dbraw/zinc/84/07/42/478840742.db2.gz SJMYZDBWVIBRRU-UHFFFAOYSA-N -1 0 342.409 2.525 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC000583542488 478873317 /nfs/dbraw/zinc/87/33/17/478873317.db2.gz DNWNDQFRTLIIOM-YMAMQOFZSA-N -1 0 340.464 2.936 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000583667376 478910048 /nfs/dbraw/zinc/91/00/48/478910048.db2.gz UZTPXCSXNCESBO-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000601638779 478921347 /nfs/dbraw/zinc/92/13/47/478921347.db2.gz KTWGAFLPXSBUKX-UHFFFAOYSA-N -1 0 330.775 2.930 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N=c1nc2n([n-]1)CCCC2)c1ccc(F)c(F)c1 ZINC000583796165 478942755 /nfs/dbraw/zinc/94/27/55/478942755.db2.gz TWJMGECOQGBFRI-OAHLLOKOSA-N -1 0 347.369 2.753 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/c1cccc2ccccc12 ZINC000492347567 478943892 /nfs/dbraw/zinc/94/38/92/478943892.db2.gz YRCYCVZJQPJIJC-ZHACJKMWSA-N -1 0 342.420 2.849 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C)CC(=O)[O-])cc1OC ZINC000492364123 478950798 /nfs/dbraw/zinc/95/07/98/478950798.db2.gz CTDZQLPIADUHFH-WOLRVDTOSA-N -1 0 333.384 2.500 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](N=c3[n-]c(C4CCC4)no3)C2)c(F)c1 ZINC000583912676 478969315 /nfs/dbraw/zinc/96/93/15/478969315.db2.gz PUQVLBDXXBHFKS-AWEZNQCLSA-N -1 0 341.390 2.851 20 30 EFEDRM C[C@H](CSc1ccccc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000601737252 478978254 /nfs/dbraw/zinc/97/82/54/478978254.db2.gz MUWRCIOGKBGMKT-LLVKDONJSA-N -1 0 326.425 2.948 20 30 EFEDRM N#C[C@]1(C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)CC12CCCC2 ZINC000592645896 478980336 /nfs/dbraw/zinc/98/03/36/478980336.db2.gz FIOGIXBLDFRDFG-ZDUSSCGKSA-N -1 0 346.740 2.933 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000492439221 478989540 /nfs/dbraw/zinc/98/95/40/478989540.db2.gz VNCSVVDNYYYDMG-SECBINFHSA-N -1 0 330.479 2.563 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)(C)C ZINC000598735146 478996919 /nfs/dbraw/zinc/99/69/19/478996919.db2.gz PUSAXAHBUFVUNJ-LBPRGKRZSA-N -1 0 346.431 2.523 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000492557175 479006936 /nfs/dbraw/zinc/00/69/36/479006936.db2.gz BPJVNSLPTVUUPL-FPLPWBNLSA-N -1 0 336.413 2.521 20 30 EFEDRM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)o1 ZINC000492577614 479007994 /nfs/dbraw/zinc/00/79/94/479007994.db2.gz VBACMKZNGIOHAU-UDGJJRABSA-N -1 0 348.424 2.556 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc2ccccc2c1 ZINC000492590303 479009165 /nfs/dbraw/zinc/00/91/65/479009165.db2.gz GEQRECNZCHRNBV-NTMALXAHSA-N -1 0 342.420 2.849 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc(Cl)s2)CCC1 ZINC000492593758 479009539 /nfs/dbraw/zinc/00/95/39/479009539.db2.gz KGZJRIWIBSCXNE-HWKANZROSA-N -1 0 344.845 2.555 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)[C@H](C#N)CCc2ccccc2)s[n-]1 ZINC000601797110 479009652 /nfs/dbraw/zinc/00/96/52/479009652.db2.gz RWGQEKFKTXXFJO-ZDUSSCGKSA-N -1 0 344.440 2.553 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000528996130 479014882 /nfs/dbraw/zinc/01/48/82/479014882.db2.gz WGBKNIYAMZUYFZ-UHFFFAOYSA-N -1 0 330.409 2.975 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000492891236 479024776 /nfs/dbraw/zinc/02/47/76/479024776.db2.gz KBEUXOLHVXGICA-GEZBDVBVSA-N -1 0 342.395 2.706 20 30 EFEDRM CC=CC=CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000493029016 479031624 /nfs/dbraw/zinc/03/16/24/479031624.db2.gz USESCRRIKKMWLW-MARIIYJDSA-N -1 0 339.395 2.604 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C/c1ccc(OC)c(OCC)c1)C(=O)[O-] ZINC000493118293 479035625 /nfs/dbraw/zinc/03/56/25/479035625.db2.gz LSYUZXCLVDBOMP-MARXPDLDSA-N -1 0 333.384 2.643 20 30 EFEDRM COc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c2ccccc2n1 ZINC000598816951 479037163 /nfs/dbraw/zinc/03/71/63/479037163.db2.gz CWOBZMMHNWOZJT-UHFFFAOYSA-N -1 0 349.394 2.741 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000595881192 479047592 /nfs/dbraw/zinc/04/75/92/479047592.db2.gz ALQCWBDYKVDLFL-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](C)CC(=O)[O-])cc1OC ZINC000493431728 479049646 /nfs/dbraw/zinc/04/96/46/479049646.db2.gz JRCKQLKGKZSOBJ-JWJUJFCLSA-N -1 0 333.384 2.595 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000546707291 479060448 /nfs/dbraw/zinc/06/04/48/479060448.db2.gz LPZQCAWNPOLTPQ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000493579726 479064943 /nfs/dbraw/zinc/06/49/43/479064943.db2.gz BOXYRENEDCSPAP-PKNBQFBNSA-N -1 0 347.367 2.568 20 30 EFEDRM Cc1[n-]n([C@@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CCC#N ZINC000601946192 479086390 /nfs/dbraw/zinc/08/63/90/479086390.db2.gz OAVWAMZUIYLKDQ-WFASDCNBSA-N -1 0 327.384 2.874 20 30 EFEDRM Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1CCC#N ZINC000601948584 479087457 /nfs/dbraw/zinc/08/74/57/479087457.db2.gz PQKJTDGBNDXDOD-NSHDSACASA-N -1 0 331.173 2.963 20 30 EFEDRM Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1CCC#N ZINC000601948582 479087844 /nfs/dbraw/zinc/08/78/44/479087844.db2.gz PQKJTDGBNDXDOD-LLVKDONJSA-N -1 0 331.173 2.963 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(CCC)ccc1Cl ZINC000566312193 479090193 /nfs/dbraw/zinc/09/01/93/479090193.db2.gz LTUOKJOIKXKNRU-UHFFFAOYSA-N -1 0 331.821 2.554 20 30 EFEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(CCC#N)CC1 ZINC000566622018 479094703 /nfs/dbraw/zinc/09/47/03/479094703.db2.gz PALGZRXCNUNCIG-UHFFFAOYSA-N -1 0 349.456 2.604 20 30 EFEDRM COC[C@H](C)Oc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000596012766 479095909 /nfs/dbraw/zinc/09/59/09/479095909.db2.gz WVTYACMYLZOCCA-SRXBQZRASA-N -1 0 339.395 2.924 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(C)n1 ZINC000601960997 479096846 /nfs/dbraw/zinc/09/68/46/479096846.db2.gz WZHJSNOEAAWIAS-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cn1CC1CC1 ZINC000596022518 479098291 /nfs/dbraw/zinc/09/82/91/479098291.db2.gz FPVCRVPSWZUCTH-UHFFFAOYSA-N -1 0 344.440 2.836 20 30 EFEDRM N#CCCC1CCN(C(=O)N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000573604101 479102603 /nfs/dbraw/zinc/10/26/03/479102603.db2.gz KPRDFVBSVIWBJR-UHFFFAOYSA-N -1 0 333.339 2.526 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000493661497 479104235 /nfs/dbraw/zinc/10/42/35/479104235.db2.gz VXUPPAVIYXNLMA-LFHSMUGYSA-N -1 0 335.425 2.971 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000493661499 479104296 /nfs/dbraw/zinc/10/42/96/479104296.db2.gz VXUPPAVIYXNLMA-RCOIXESOSA-N -1 0 335.425 2.971 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cn1 ZINC000601976264 479104935 /nfs/dbraw/zinc/10/49/35/479104935.db2.gz NPVZVOBBFJVTTO-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000601985500 479111953 /nfs/dbraw/zinc/11/19/53/479111953.db2.gz ZNMOEIATTNJDCR-MNOVXSKESA-N -1 0 342.273 2.896 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)co1 ZINC000547807049 479120676 /nfs/dbraw/zinc/12/06/76/479120676.db2.gz XSTOTOQUSURINA-VIFPVBQESA-N -1 0 325.246 2.725 20 30 EFEDRM CC(C)c1csc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000593001553 479120854 /nfs/dbraw/zinc/12/08/54/479120854.db2.gz OZGMUVNILHBSNE-HSZRJFAPSA-N -1 0 347.465 2.562 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCCCCC)cc1 ZINC000547910815 479121158 /nfs/dbraw/zinc/12/11/58/479121158.db2.gz UVBJRRAMQKNKDE-UHFFFAOYSA-N -1 0 341.429 2.517 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CC3)cc2)n1 ZINC000568357523 479123633 /nfs/dbraw/zinc/12/36/33/479123633.db2.gz QRZYSNRWQLEKRS-AWEZNQCLSA-N -1 0 346.433 2.878 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1cccc(C)c1)[C@H](C(=O)[O-])C(C)C ZINC000548218104 479124267 /nfs/dbraw/zinc/12/42/67/479124267.db2.gz UIFDBDKMKDVAGY-INIZCTEOSA-N -1 0 339.457 2.812 20 30 EFEDRM N#CCc1cccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000568515309 479126871 /nfs/dbraw/zinc/12/68/71/479126871.db2.gz MTYOWNPXWOFUBN-HXUWFJFHSA-N -1 0 334.375 2.621 20 30 EFEDRM N#CC1(CS(=O)(=O)N(CCC(=O)[O-])C2CCCC2)CCCCC1 ZINC000548564571 479127560 /nfs/dbraw/zinc/12/75/60/479127560.db2.gz PQKLDIFSCQTFEC-UHFFFAOYSA-N -1 0 342.461 2.510 20 30 EFEDRM CC(C)(CC#N)CNC(=O)C[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000602001930 479128565 /nfs/dbraw/zinc/12/85/65/479128565.db2.gz SOMZINXRAZDEEP-LJQANCHMSA-N -1 0 328.412 2.791 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1CC1CCCC1 ZINC000568950082 479133065 /nfs/dbraw/zinc/13/30/65/479133065.db2.gz IRAAUQCJSYAOPT-OAHLLOKOSA-N -1 0 338.415 2.674 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000548977681 479136338 /nfs/dbraw/zinc/13/63/38/479136338.db2.gz QOBIHNOLNSRMIB-UHFFFAOYSA-N -1 0 332.429 2.948 20 30 EFEDRM CC#CC[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC000551998480 479149393 /nfs/dbraw/zinc/14/93/93/479149393.db2.gz AWKHZGANNPNJSS-ZDUSSCGKSA-N -1 0 343.832 2.608 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(SCc3ccccc3)s2)CC1 ZINC000555727829 479166014 /nfs/dbraw/zinc/16/60/14/479166014.db2.gz VAWMWMHQLVHFLA-UHFFFAOYSA-N -1 0 345.453 2.678 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000573897400 479166987 /nfs/dbraw/zinc/16/69/87/479166987.db2.gz HYQCOOMUDXHYCV-DGCLKSJQSA-N -1 0 340.807 2.826 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000610725243 479168594 /nfs/dbraw/zinc/16/85/94/479168594.db2.gz PNPGTRKMEYXKPX-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000556680000 479175090 /nfs/dbraw/zinc/17/50/90/479175090.db2.gz OPRSWAYXDWADCB-NEPJUHHUSA-N -1 0 326.190 2.618 20 30 EFEDRM CN(C)c1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000573934013 479180545 /nfs/dbraw/zinc/18/05/45/479180545.db2.gz LOUIWVWWVZLRIL-SNVBAGLBSA-N -1 0 329.429 2.787 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC)[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000569881683 479199003 /nfs/dbraw/zinc/19/90/03/479199003.db2.gz YZOWJIOQSAJGBO-AWEZNQCLSA-N -1 0 347.383 2.708 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603082171 479237890 /nfs/dbraw/zinc/23/78/90/479237890.db2.gz TUSPXOQFVRHTTQ-UHFFFAOYSA-N -1 0 337.355 2.576 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(F)cc2F)c1C ZINC000593219802 479245069 /nfs/dbraw/zinc/24/50/69/479245069.db2.gz YWGYSLGPQFMICM-LLVKDONJSA-N -1 0 340.355 2.503 20 30 EFEDRM CC(C)(C)c1[n-]n(Cc2cc3n(n2)CCCC3)c(=O)c1CCC#N ZINC000593236512 479255139 /nfs/dbraw/zinc/25/51/39/479255139.db2.gz NEGIYWTYZNXXHJ-UHFFFAOYSA-N -1 0 327.432 2.923 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC000585722755 479315139 /nfs/dbraw/zinc/31/51/39/479315139.db2.gz ZOQBEJQXKTWLKE-UHFFFAOYSA-N -1 0 330.413 2.934 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000585722744 479315470 /nfs/dbraw/zinc/31/54/70/479315470.db2.gz VXQYLVFZUFFZTQ-UHFFFAOYSA-N -1 0 346.393 2.665 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)nn1CCC#N ZINC000611247788 479322682 /nfs/dbraw/zinc/32/26/82/479322682.db2.gz VHICNFVJABRVRY-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000603414695 479377649 /nfs/dbraw/zinc/37/76/49/479377649.db2.gz ANTGJFWPNWZRPX-JKSUJKDBSA-N -1 0 338.429 2.656 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)[n-]1 ZINC000611503790 479398330 /nfs/dbraw/zinc/39/83/30/479398330.db2.gz MGYNINGGICQBFP-MRXNPFEDSA-N -1 0 339.374 2.610 20 30 EFEDRM C[C@@](CNC(=O)N1Cc2cccc(C#N)c2C1)(C(=O)[O-])c1ccccc1 ZINC000593700459 479428947 /nfs/dbraw/zinc/42/89/47/479428947.db2.gz PQUWUOJCBLEXJE-FQEVSTJZSA-N -1 0 349.390 2.626 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000588768084 479439949 /nfs/dbraw/zinc/43/99/49/479439949.db2.gz VZBMCLTVQSJFSW-UHFFFAOYSA-N -1 0 338.264 2.991 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c(F)cccc1Br ZINC000588767545 479440005 /nfs/dbraw/zinc/44/00/05/479440005.db2.gz LGYBSLMKQZSPFO-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCC3(C#N)CC3)s2)c1 ZINC000575433667 479445164 /nfs/dbraw/zinc/44/51/64/479445164.db2.gz OGRLZTZGCNTYPY-UHFFFAOYSA-N -1 0 327.413 2.669 20 30 EFEDRM CCC(CC)(CNC(=O)N1CCc2c(CC#N)cccc2C1)C(=O)[O-] ZINC000599860124 479456899 /nfs/dbraw/zinc/45/68/99/479456899.db2.gz CCXCWBXBACLRQJ-UHFFFAOYSA-N -1 0 343.427 2.711 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)C2 ZINC000599865442 479458146 /nfs/dbraw/zinc/45/81/46/479458146.db2.gz ZSLXQEFZAQNRPL-UHFFFAOYSA-N -1 0 349.390 2.719 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000599863619 479458628 /nfs/dbraw/zinc/45/86/28/479458628.db2.gz DYQXIKWCUQTNLZ-KBMXLJTQSA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593953361 479518230 /nfs/dbraw/zinc/51/82/30/479518230.db2.gz VNACAACUHUCZAT-TVYUQYBPSA-N -1 0 333.363 2.954 20 30 EFEDRM CC(C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC000593952175 479518660 /nfs/dbraw/zinc/51/86/60/479518660.db2.gz OZBCWFQBRNRKQI-JTQLQIEISA-N -1 0 341.314 2.638 20 30 EFEDRM CC(C)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000604494884 479527460 /nfs/dbraw/zinc/52/74/60/479527460.db2.gz ZFJCKAXZOKYOCU-UHFFFAOYSA-N -1 0 336.399 2.603 20 30 EFEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2)co1 ZINC000589550775 479539910 /nfs/dbraw/zinc/53/99/10/479539910.db2.gz SSPFMJCSDYWGSJ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000589585594 479542704 /nfs/dbraw/zinc/54/27/04/479542704.db2.gz BUXJGMSIGUEWET-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c1 ZINC000589587193 479542923 /nfs/dbraw/zinc/54/29/23/479542923.db2.gz JLYYRHXKNMKITP-UHFFFAOYSA-N -1 0 338.392 2.944 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000589595352 479543509 /nfs/dbraw/zinc/54/35/09/479543509.db2.gz BNLINDIHZBCEPX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000612036502 479556516 /nfs/dbraw/zinc/55/65/16/479556516.db2.gz CVYGCSNOCCXBGI-MRXNPFEDSA-N -1 0 327.413 2.785 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000577412051 479591810 /nfs/dbraw/zinc/59/18/10/479591810.db2.gz NVDORHDTCNDWTK-UHFFFAOYSA-N -1 0 337.441 2.636 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000578492693 479607010 /nfs/dbraw/zinc/60/70/10/479607010.db2.gz VHZMJJBDXQDXNF-CQSZACIVSA-N -1 0 333.363 2.568 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000578596998 479607927 /nfs/dbraw/zinc/60/79/27/479607927.db2.gz UMZPYFTWMMWEGT-GFCCVEGCSA-N -1 0 346.305 2.569 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000579105471 479661468 /nfs/dbraw/zinc/66/14/68/479661468.db2.gz BJPWCEXHWKLUMU-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(F)cc1[N+](=O)[O-] ZINC000590597544 479665548 /nfs/dbraw/zinc/66/55/48/479665548.db2.gz LXLICYZYUJNPIZ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)c1C#N ZINC000590597614 479665929 /nfs/dbraw/zinc/66/59/29/479665929.db2.gz LMAXAYCYJQNVMM-UHFFFAOYSA-N -1 0 342.376 2.906 20 30 EFEDRM CC(C)C[C@H](C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000619111563 479689732 /nfs/dbraw/zinc/68/97/32/479689732.db2.gz RHLLZDLKZMNCRE-GFCCVEGCSA-N -1 0 332.791 2.899 20 30 EFEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@@](F)(C#N)C3)s2)c1 ZINC000615561482 479693864 /nfs/dbraw/zinc/69/38/64/479693864.db2.gz OPGVYSYXDKBRNL-MRXNPFEDSA-N -1 0 345.403 2.713 20 30 EFEDRM C=C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000621596600 479714902 /nfs/dbraw/zinc/71/49/02/479714902.db2.gz XSLOXLAVLQRGIP-HNNXBMFYSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000621597541 479715469 /nfs/dbraw/zinc/71/54/69/479715469.db2.gz OKMQJEHXMLEIME-LSDHHAIUSA-N -1 0 347.411 2.562 20 30 EFEDRM CCOCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000621711835 479762813 /nfs/dbraw/zinc/76/28/13/479762813.db2.gz IURZYYAUYSQVTF-ZDUSSCGKSA-N -1 0 332.429 2.990 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462751 479799966 /nfs/dbraw/zinc/79/99/66/479799966.db2.gz KIJOIFWJAFACGJ-UHFFFAOYSA-N -1 0 346.408 2.961 20 30 EFEDRM Cc1c(NS(=O)(=O)c2cccc(CC#N)c2)cccc1C(=O)[O-] ZINC000619462652 479800242 /nfs/dbraw/zinc/80/02/42/479800242.db2.gz XLUMHMIJRGSZFV-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463669 479801412 /nfs/dbraw/zinc/80/14/12/479801412.db2.gz MDOKQWAUUVIVHK-UHFFFAOYSA-N -1 0 326.328 2.523 20 30 EFEDRM C=CCOc1ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)cc1OC ZINC000630961338 479803161 /nfs/dbraw/zinc/80/31/61/479803161.db2.gz OOEIMVGVBGKNRU-CQSZACIVSA-N -1 0 347.440 2.997 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619547333 479825685 /nfs/dbraw/zinc/82/56/85/479825685.db2.gz MFCPSMIDABKRMH-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000619569685 479831193 /nfs/dbraw/zinc/83/11/93/479831193.db2.gz UITQTGYBBRGTJJ-UHFFFAOYSA-N -1 0 336.442 2.702 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000613015405 479839916 /nfs/dbraw/zinc/83/99/16/479839916.db2.gz OGHNWPBVHPHALM-UHFFFAOYSA-N -1 0 348.236 2.685 20 30 EFEDRM C=CCCOCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613017469 479840195 /nfs/dbraw/zinc/84/01/95/479840195.db2.gz OIVBXCCPUZPOPI-UHFFFAOYSA-N -1 0 335.791 2.554 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)[n-]1 ZINC000619662402 479852347 /nfs/dbraw/zinc/85/23/47/479852347.db2.gz SDZUNGYAZYODTM-INIZCTEOSA-N -1 0 337.427 2.939 20 30 EFEDRM C=C[C@@H](Sc1n[n-]c(=Nc2cccc(F)c2)s1)C(=O)OC ZINC000619688300 479857044 /nfs/dbraw/zinc/85/70/44/479857044.db2.gz BRNOMEODHKSBNA-SNVBAGLBSA-N -1 0 325.390 2.662 20 30 EFEDRM CCc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000619709203 479864003 /nfs/dbraw/zinc/86/40/03/479864003.db2.gz VYXLOABDNNIZMZ-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000610337390 480282801 /nfs/dbraw/zinc/28/28/01/480282801.db2.gz DXKZYHXBIHRWBQ-QMMMGPOBSA-N -1 0 333.273 2.914 20 30 EFEDRM N#CCN1CCC(N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000614506964 480327069 /nfs/dbraw/zinc/32/70/69/480327069.db2.gz PVVZFDLXZPBEDI-UHFFFAOYSA-N -1 0 347.875 2.604 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)s1 ZINC000610518921 480327639 /nfs/dbraw/zinc/32/76/39/480327639.db2.gz GAUXCHDXCCAMTD-UHFFFAOYSA-N -1 0 326.406 2.736 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(c3cccs3)CCCCC2)[n-]1 ZINC000610560969 480336751 /nfs/dbraw/zinc/33/67/51/480336751.db2.gz MVAGCFFSWVLZEE-UHFFFAOYSA-N -1 0 343.456 2.799 20 30 EFEDRM CN(C(=O)N=c1[n-]n(C)cc1C#N)C1c2ccccc2-c2ccccc21 ZINC000610562092 480337163 /nfs/dbraw/zinc/33/71/63/480337163.db2.gz IMJDENUWUYRBHE-UHFFFAOYSA-N -1 0 343.390 2.947 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)[n-]1 ZINC000610562055 480337293 /nfs/dbraw/zinc/33/72/93/480337293.db2.gz HRBKAIXTSMAMHV-AWEZNQCLSA-N -1 0 329.379 2.762 20 30 EFEDRM CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)c1ccccc1 ZINC000610562148 480337419 /nfs/dbraw/zinc/33/74/19/480337419.db2.gz JLRMAMOUYIEHLG-HNNXBMFYSA-N -1 0 325.416 2.592 20 30 EFEDRM CCCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](C)c1ccccc1OC ZINC000610561028 480337558 /nfs/dbraw/zinc/33/75/58/480337558.db2.gz CUPAALKEHSNTSQ-ZDUSSCGKSA-N -1 0 341.415 2.727 20 30 EFEDRM Cc1cccc(CN(CC(C)C)C(=O)N=c2[n-]n(C)cc2C#N)c1 ZINC000610561153 480337583 /nfs/dbraw/zinc/33/75/83/480337583.db2.gz GCLLYJSKUVBKRO-UHFFFAOYSA-N -1 0 325.416 2.712 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(Cl)c1Cl ZINC000610562849 480337768 /nfs/dbraw/zinc/33/77/68/480337768.db2.gz IUPNOXAMIKZCBU-MRVPVSSYSA-N -1 0 338.198 2.903 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N(Cc2ccccc2)CC(C)(C)C)[n-]1 ZINC000610565587 480337880 /nfs/dbraw/zinc/33/78/80/480337880.db2.gz ZKYLEOFYNMJAFT-UHFFFAOYSA-N -1 0 325.416 2.794 20 30 EFEDRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610565448 480338195 /nfs/dbraw/zinc/33/81/95/480338195.db2.gz WLCDQZOSHZZBOX-CQSZACIVSA-N -1 0 331.807 2.510 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC(C)(C)CCCc2ccccc2)[n-]1 ZINC000610565001 480338326 /nfs/dbraw/zinc/33/83/26/480338326.db2.gz NYDKRYIRMRNBTP-UHFFFAOYSA-N -1 0 339.443 2.884 20 30 EFEDRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610562226 480338496 /nfs/dbraw/zinc/33/84/96/480338496.db2.gz ZWAYNZUROBRFST-CYBMUJFWSA-N -1 0 325.416 2.592 20 30 EFEDRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563365 480338510 /nfs/dbraw/zinc/33/85/10/480338510.db2.gz AZNJEWJLIYGKDB-IAGOWNOFSA-N -1 0 337.427 2.904 20 30 EFEDRM CN(CCc1cccc2ccccc21)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562172 480338553 /nfs/dbraw/zinc/33/85/53/480338553.db2.gz YUMDFHXAXYHUFG-UHFFFAOYSA-N -1 0 333.395 2.573 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)n1 ZINC000610578967 480341780 /nfs/dbraw/zinc/34/17/80/480341780.db2.gz WNRCXUQLWPGFQS-CYBMUJFWSA-N -1 0 330.363 2.694 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000610634587 480352853 /nfs/dbraw/zinc/35/28/53/480352853.db2.gz PHWSZRZWDPHWOP-UHFFFAOYSA-N -1 0 341.802 2.688 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccccc2F)C2CCCC2)[n-]1 ZINC000610674805 480361173 /nfs/dbraw/zinc/36/11/73/480361173.db2.gz VRKBILXNKXWTGA-MRXNPFEDSA-N -1 0 341.390 2.906 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)[n-]1 ZINC000610718308 480373315 /nfs/dbraw/zinc/37/33/15/480373315.db2.gz OHNJMBPDBKWBFH-AWEZNQCLSA-N -1 0 347.369 2.901 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000635515431 480435865 /nfs/dbraw/zinc/43/58/65/480435865.db2.gz RVPRNAAJSBNKKV-APWZRJJASA-N -1 0 346.427 2.827 20 30 EFEDRM O=C([O-])[C@]1(CC(=O)NCC#Cc2ccccc2)CCCc2ccccc21 ZINC000634856586 480584915 /nfs/dbraw/zinc/58/49/15/480584915.db2.gz VJADGRPEURNLNF-QFIPXVFZSA-N -1 0 347.414 2.903 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630259131 480636271 /nfs/dbraw/zinc/63/62/71/480636271.db2.gz WYCPQGNONHZREN-LLVKDONJSA-N -1 0 325.336 2.599 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630258145 480636868 /nfs/dbraw/zinc/63/68/68/480636868.db2.gz KGQFFSLYVZNHEK-MNOVXSKESA-N -1 0 325.336 2.597 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000630301050 480660816 /nfs/dbraw/zinc/66/08/16/480660816.db2.gz GOMWMPHWQDGBBB-AWEZNQCLSA-N -1 0 333.384 2.729 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000630318294 480668719 /nfs/dbraw/zinc/66/87/19/480668719.db2.gz GQQZWHBIPNQMFB-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000630318244 480668759 /nfs/dbraw/zinc/66/87/59/480668759.db2.gz FWZKKXIAXWTMEN-NSHDSACASA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000630318889 480668917 /nfs/dbraw/zinc/66/89/17/480668917.db2.gz OGUVELNUACFONG-GFCCVEGCSA-N -1 0 331.290 2.777 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCc1c(C)nn(CC(C)C)c1C)C(=O)[O-] ZINC000630319040 480669004 /nfs/dbraw/zinc/66/90/04/480669004.db2.gz QWCFJVRSPJRQBB-MRXNPFEDSA-N -1 0 335.448 2.624 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000630319373 480669066 /nfs/dbraw/zinc/66/90/66/480669066.db2.gz ZDXJYPFECWVXAT-NSHDSACASA-N -1 0 336.438 2.950 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630318989 480669103 /nfs/dbraw/zinc/66/91/03/480669103.db2.gz PNSZACOCFYDASV-GFCCVEGCSA-N -1 0 331.290 2.620 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000630320183 480669597 /nfs/dbraw/zinc/66/95/97/480669597.db2.gz QIITUZSREPKADT-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000630320345 480669918 /nfs/dbraw/zinc/66/99/18/480669918.db2.gz UCIVFFBLZPBSES-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(=O)[O-] ZINC000630325108 480671741 /nfs/dbraw/zinc/67/17/41/480671741.db2.gz HUAHHAMTUFZVMR-CQSZACIVSA-N -1 0 341.367 2.763 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000630327168 480672834 /nfs/dbraw/zinc/67/28/34/480672834.db2.gz XSKMMPMKQXMKTE-CYBMUJFWSA-N -1 0 340.807 2.686 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(=O)[O-] ZINC000630327119 480672972 /nfs/dbraw/zinc/67/29/72/480672972.db2.gz XBYIUZQUIMHGCH-NSHDSACASA-N -1 0 335.429 2.907 20 30 EFEDRM C=C(C)C[C@H](NC(=O)NCc1ccc(Br)s1)C(=O)[O-] ZINC000630472495 480732809 /nfs/dbraw/zinc/73/28/09/480732809.db2.gz MQJFFRJJDDDVLG-VIFPVBQESA-N -1 0 347.234 2.729 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@](COC)(C(=O)[O-])C2)c1 ZINC000630560000 480780285 /nfs/dbraw/zinc/78/02/85/480780285.db2.gz GSLUHUSXZSXIHU-SFHVURJKSA-N -1 0 348.399 2.597 20 30 EFEDRM C=CCn1c(=N)[n-]nc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000641980742 481135209 /nfs/dbraw/zinc/13/52/09/481135209.db2.gz IIJZHESRYQEEPH-UHFFFAOYSA-N -1 0 343.412 2.833 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065462 481198156 /nfs/dbraw/zinc/19/81/56/481198156.db2.gz XITRFMJGPPJXJV-OCCSQVGLSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000648344988 481477192 /nfs/dbraw/zinc/47/71/92/481477192.db2.gz AGQXDJVYWBROAK-GFCCVEGCSA-N -1 0 326.780 2.671 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000659795993 481556271 /nfs/dbraw/zinc/55/62/71/481556271.db2.gz VSRMLTDFVFNHOD-CHWSQXEVSA-N -1 0 331.290 2.598 20 30 EFEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643777201 481587576 /nfs/dbraw/zinc/58/75/76/481587576.db2.gz YTVWIBKWQZYLGC-NSHDSACASA-N -1 0 345.284 2.942 20 30 EFEDRM COCc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000651639404 481885496 /nfs/dbraw/zinc/88/54/96/481885496.db2.gz SRHFJQQYPTYJGR-JTQLQIEISA-N -1 0 344.371 2.805 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](CC)Oc1ccccc1F)C(=O)[O-] ZINC000654804168 482058434 /nfs/dbraw/zinc/05/84/34/482058434.db2.gz HDGOGXCHCXULFI-GXTWGEPZSA-N -1 0 338.379 2.702 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](CC)Oc1ccccc1F)C(=O)[O-] ZINC000654804169 482058611 /nfs/dbraw/zinc/05/86/11/482058611.db2.gz HDGOGXCHCXULFI-JSGCOSHPSA-N -1 0 338.379 2.702 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000649459508 482082607 /nfs/dbraw/zinc/08/26/07/482082607.db2.gz JDMIDYJRKLNLLU-MRXNPFEDSA-N -1 0 344.411 2.796 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc2c(c1)CCCCC2)C(=O)[O-] ZINC000649535913 482120046 /nfs/dbraw/zinc/12/00/46/482120046.db2.gz CNODAAPSSTWZMC-INIZCTEOSA-N -1 0 332.400 2.733 20 30 EFEDRM C=CC1CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000668568869 482171773 /nfs/dbraw/zinc/17/17/73/482171773.db2.gz NETVFBUZMUCVGQ-UHFFFAOYSA-N -1 0 333.338 2.894 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCCC(=O)[O-] ZINC000666559317 482380470 /nfs/dbraw/zinc/38/04/70/482380470.db2.gz TUVIYVNDVUBGOQ-UHFFFAOYSA-N -1 0 336.436 2.807 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C#N)C3CCCCC3)cc2=O)cc1 ZINC000176622622 534237573 /nfs/dbraw/zinc/23/75/73/534237573.db2.gz VBKCIVRZZANFTA-QGZVFWFLSA-N -1 0 338.411 2.676 20 30 EFEDRM C=C(C)[C@H](NS(=O)(=O)[N-]CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000195459046 534341659 /nfs/dbraw/zinc/34/16/59/534341659.db2.gz DFXFOJXXIBIFCB-NSHDSACASA-N -1 0 344.305 2.568 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)c1 ZINC000048560921 518459047 /nfs/dbraw/zinc/45/90/47/518459047.db2.gz XVDMXWPGBHIHTA-UHFFFAOYSA-N -1 0 345.376 2.518 20 30 EFEDRM CC(C)(CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000236798169 519194274 /nfs/dbraw/zinc/19/42/74/519194274.db2.gz QYVPRCMGOJYOGH-UHFFFAOYSA-N -1 0 344.289 2.939 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000263114903 534409253 /nfs/dbraw/zinc/40/92/53/534409253.db2.gz UYTXKWOWGIFOMW-WFASDCNBSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCc1cc(C(=O)N=c2cc(C)c(C)n[n-]2)cc(OC)c1OC ZINC000359494530 534409622 /nfs/dbraw/zinc/40/96/22/534409622.db2.gz PJHGFVRQOIZNAG-UHFFFAOYSA-N -1 0 327.384 2.513 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc(OC)c1OC ZINC000262524752 534411319 /nfs/dbraw/zinc/41/13/19/534411319.db2.gz NGGDRXBGICSECG-ABAIWWIYSA-N -1 0 335.400 2.661 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000262468478 534411350 /nfs/dbraw/zinc/41/13/50/534411350.db2.gz JEZCGXQYQPCNPC-HNNXBMFYSA-N -1 0 349.427 2.909 20 30 EFEDRM C=CCc1cc(CN=c2[n-]c(C(=O)OCC)co2)cc(OC)c1OC ZINC000418852003 534413288 /nfs/dbraw/zinc/41/32/88/534413288.db2.gz UBKSTPFZWBFRSZ-UHFFFAOYSA-N -1 0 346.383 2.631 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263181494 519778377 /nfs/dbraw/zinc/77/83/77/519778377.db2.gz UHUJKMYHPKXXCQ-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000183160244 519890926 /nfs/dbraw/zinc/89/09/26/519890926.db2.gz NFXDPCDIQGPVEV-UHFFFAOYSA-N -1 0 342.833 2.987 20 30 EFEDRM C=C[C@@H](CC(=O)NC[C@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000262955115 534513495 /nfs/dbraw/zinc/51/34/95/534513495.db2.gz NEJJWXQPAVPTEI-YOEHRIQHSA-N -1 0 331.412 2.590 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000057125710 520869895 /nfs/dbraw/zinc/86/98/95/520869895.db2.gz JWDSXVFZFDPFJJ-UHFFFAOYSA-N -1 0 344.392 2.960 20 30 EFEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000176453416 534535389 /nfs/dbraw/zinc/53/53/89/534535389.db2.gz OGNRYMSSUHUBFK-LBPRGKRZSA-N -1 0 346.350 2.750 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cn1 ZINC000183393486 521207262 /nfs/dbraw/zinc/20/72/62/521207262.db2.gz YFGBZYPPJRDWDZ-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000323898283 534553080 /nfs/dbraw/zinc/55/30/80/534553080.db2.gz PCKFUQLWJRPUIE-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000320296842 534553719 /nfs/dbraw/zinc/55/37/19/534553719.db2.gz CBZVCFRJZCMLCX-UHFFFAOYSA-N -1 0 325.430 2.828 20 30 EFEDRM CCCCc1nnc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)s1 ZINC000074351531 521326759 /nfs/dbraw/zinc/32/67/59/521326759.db2.gz NBWRLLJXXYZBPE-UHFFFAOYSA-N -1 0 349.441 2.827 20 30 EFEDRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195445842 521774572 /nfs/dbraw/zinc/77/45/72/521774572.db2.gz RZFGTXODQZROML-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM C=CCC1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCOCC1 ZINC000425245984 534587572 /nfs/dbraw/zinc/58/75/72/534587572.db2.gz VHJWEKGZUXGNNR-OAHLLOKOSA-N -1 0 349.402 2.558 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000180736373 521990340 /nfs/dbraw/zinc/99/03/40/521990340.db2.gz VSKPQJINNKFXKC-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Br)c1 ZINC000263166436 534619003 /nfs/dbraw/zinc/61/90/03/534619003.db2.gz YIWZUMMXAHATRH-CYBMUJFWSA-N -1 0 342.189 2.666 20 30 EFEDRM C=CCCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000238038545 534627739 /nfs/dbraw/zinc/62/77/39/534627739.db2.gz KEJHDNRBTBTTQL-HNNXBMFYSA-N -1 0 330.384 2.671 20 30 EFEDRM COCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000057120982 523424828 /nfs/dbraw/zinc/42/48/28/523424828.db2.gz PDNFKPHHHXNMFH-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000362131878 534738861 /nfs/dbraw/zinc/73/88/61/534738861.db2.gz YGPDVPIFBQIOHH-LBPRGKRZSA-N -1 0 348.284 2.944 20 30 EFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000263016339 524565747 /nfs/dbraw/zinc/56/57/47/524565747.db2.gz ILMBVUNIOJPLHY-QMMMGPOBSA-N -1 0 345.277 2.641 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000262921949 534795088 /nfs/dbraw/zinc/79/50/88/534795088.db2.gz OBAVIZDLEKIKKU-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC000263014468 534804174 /nfs/dbraw/zinc/80/41/74/534804174.db2.gz XMEUZAAZPIEOCN-LBPRGKRZSA-N -1 0 327.327 2.713 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c([N+](=O)[O-])c1 ZINC000063878532 525078726 /nfs/dbraw/zinc/07/87/26/525078726.db2.gz KJNVUCNXCZCHPM-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000071883893 525898466 /nfs/dbraw/zinc/89/84/66/525898466.db2.gz HCPIADYWVHJZSH-VIFPVBQESA-N -1 0 342.804 2.672 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237546768 525954952 /nfs/dbraw/zinc/95/49/52/525954952.db2.gz XURAFPMYXGXABA-CYBMUJFWSA-N -1 0 338.363 2.981 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177479257 525957964 /nfs/dbraw/zinc/95/79/64/525957964.db2.gz ASHUMZAJJXRCAE-SWLSCSKDSA-N -1 0 336.347 2.541 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnc(C(C)(C)C)nc2)cc1C#N ZINC000063817939 526213952 /nfs/dbraw/zinc/21/39/52/526213952.db2.gz AODSSFYMFISPOR-UHFFFAOYSA-N -1 0 343.412 2.721 20 30 EFEDRM CSc1nc(=NC(=O)N2CCC[C@H](OCC3CC3)C2)s[n-]1 ZINC000328587702 526229893 /nfs/dbraw/zinc/22/98/93/526229893.db2.gz FMHMMNLMGIXIGP-JTQLQIEISA-N -1 0 328.463 2.697 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000186637063 526526808 /nfs/dbraw/zinc/52/68/08/526526808.db2.gz OQCLPTCHWRXDIZ-UHFFFAOYSA-N -1 0 345.211 2.839 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C#N ZINC000180707100 526526825 /nfs/dbraw/zinc/52/68/25/526526825.db2.gz VUEPHPHNLNNADE-UHFFFAOYSA-N -1 0 348.428 2.816 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000121223507 526531487 /nfs/dbraw/zinc/53/14/87/526531487.db2.gz LZHCAYHKXZUSAW-UHFFFAOYSA-N -1 0 342.336 2.749 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1 ZINC000048491355 526546631 /nfs/dbraw/zinc/54/66/31/526546631.db2.gz LTVRRUCGKLGKGZ-VOTSOKGWSA-N -1 0 331.353 2.522 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000176677323 526662561 /nfs/dbraw/zinc/66/25/61/526662561.db2.gz YQUICZZKUSNQDK-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160322086 526947633 /nfs/dbraw/zinc/94/76/33/526947633.db2.gz OJPQGWGHTDKKNQ-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000189473612 527147807 /nfs/dbraw/zinc/14/78/07/527147807.db2.gz WMPSNMKOUHELSF-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cccc(-c2ccoc2)c1 ZINC000089979946 527198076 /nfs/dbraw/zinc/19/80/76/527198076.db2.gz ZDNXXTAVKBYRRF-UHFFFAOYSA-N -1 0 332.337 2.769 20 30 EFEDRM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000154135963 527571392 /nfs/dbraw/zinc/57/13/92/527571392.db2.gz ILOFYEZEHZSQOM-UHFFFAOYSA-N -1 0 336.335 2.515 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000174941141 528381921 /nfs/dbraw/zinc/38/19/21/528381921.db2.gz OQCRXSREBSBOKL-UHFFFAOYSA-N -1 0 348.428 2.610 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263475034 534972092 /nfs/dbraw/zinc/97/20/92/534972092.db2.gz IZFPZOXAOGXJCI-QGZVFWFLSA-N -1 0 331.372 2.674 20 30 EFEDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427740625 535460951 /nfs/dbraw/zinc/46/09/51/535460951.db2.gz ANYREJZEJZVIBB-UHFFFAOYSA-N -1 0 325.390 2.907 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000296709264 535576545 /nfs/dbraw/zinc/57/65/45/535576545.db2.gz LSWJZEUKHHFAOY-UHFFFAOYSA-N -1 0 331.397 2.656 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2conc2C2CC2)n1 ZINC000354975984 535728891 /nfs/dbraw/zinc/72/88/91/535728891.db2.gz ZVAQDDOIJXMALY-SECBINFHSA-N -1 0 331.353 2.675 20 30 EFEDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427346473 536122076 /nfs/dbraw/zinc/12/20/76/536122076.db2.gz JFWWXFNKFNEQDG-UHFFFAOYSA-N -1 0 325.390 2.826 20 30 EFEDRM CN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000354478882 536297643 /nfs/dbraw/zinc/29/76/43/536297643.db2.gz MTGJOPJTPXAKTP-UHFFFAOYSA-N -1 0 349.437 2.535 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1C ZINC000435489205 536568812 /nfs/dbraw/zinc/56/88/12/536568812.db2.gz AUEDKJFUJVCFAS-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)cc(C)c1C ZINC000351756615 536570101 /nfs/dbraw/zinc/57/01/01/536570101.db2.gz QHODADKAYXFDOO-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1[N+](=O)[O-] ZINC000358972188 536596598 /nfs/dbraw/zinc/59/65/98/536596598.db2.gz DZEWOBFVWMLRKT-GORDUTHDSA-N -1 0 325.280 2.739 20 30 EFEDRM C=CC1CCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)CC1 ZINC000191592463 545517854 /nfs/dbraw/zinc/51/78/54/545517854.db2.gz QJDARBWTODGTOK-UHFFFAOYSA-N -1 0 339.395 2.917 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000656245665 546742185 /nfs/dbraw/zinc/74/21/85/546742185.db2.gz NDAFTSLVMGSJQQ-OIISXLGYSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000656245667 546742409 /nfs/dbraw/zinc/74/24/09/546742409.db2.gz NDAFTSLVMGSJQQ-UAGQMJEPSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cccc(O[C@H](C)CC)c1)C(=O)[O-] ZINC000656513286 546826057 /nfs/dbraw/zinc/82/60/57/546826057.db2.gz VBDNIESCOSYBLA-IUODEOHRSA-N -1 0 341.429 2.562 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000656717060 546899487 /nfs/dbraw/zinc/89/94/87/546899487.db2.gz INUGZXDSHRNKRW-HOCLYGCPSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000656716476 546899523 /nfs/dbraw/zinc/89/95/23/546899523.db2.gz GHJYQYMEGVIXEI-ZBFHGGJFSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CCCOCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667430 547643169 /nfs/dbraw/zinc/64/31/69/547643169.db2.gz UICKOURNUBLQJC-INIZCTEOSA-N -1 0 325.792 2.739 20 30 EFEDRM N#CC(=C([O-])c1ccoc1CC(N)=O)c1nc2cc(F)ccc2s1 ZINC000671764204 547669633 /nfs/dbraw/zinc/66/96/33/547669633.db2.gz OVOROEVKAPENAX-SNVBAGLBSA-N -1 0 343.339 2.546 20 30 EFEDRM C=CCCOCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000678981244 549029815 /nfs/dbraw/zinc/02/98/15/549029815.db2.gz GHRMORAIDHBLHA-QGZVFWFLSA-N -1 0 341.407 2.792 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C(F)(F)F ZINC000682995435 549835991 /nfs/dbraw/zinc/83/59/91/549835991.db2.gz VVRGYKXOQNIYSR-SECBINFHSA-N -1 0 345.284 2.872 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2ccccc2n1C(F)F ZINC000685784905 550181845 /nfs/dbraw/zinc/18/18/45/550181845.db2.gz IISWTJPVZSWVPO-VIFPVBQESA-N -1 0 343.293 2.510 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000753998851 575373148 /nfs/dbraw/zinc/37/31/48/575373148.db2.gz DNFDSQXDYGZZNO-UONOGXRCSA-N -1 0 348.468 2.972 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CCCC#N ZINC000754003249 575374247 /nfs/dbraw/zinc/37/42/47/575374247.db2.gz ZYJDLSWVKHHTPW-UONOGXRCSA-N -1 0 334.441 2.726 20 30 EFEDRM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1nccnc1Cl ZINC000754262042 575412429 /nfs/dbraw/zinc/41/24/29/575412429.db2.gz YAMUCESBLXIYAF-UHFFFAOYSA-N -1 0 341.680 2.917 20 30 EFEDRM Cc1cc(C)nc(N=NCc2cc(O)cc(Br)c2O)n1 ZINC000755453902 575587961 /nfs/dbraw/zinc/58/79/61/575587961.db2.gz CXTSJQLZSBOADN-UHFFFAOYSA-N -1 0 337.177 2.713 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cnc([C@@H]2CCCO2)s1 ZINC000755509957 575593698 /nfs/dbraw/zinc/59/36/98/575593698.db2.gz BEOWDCFBAOOSQX-ZETCQYMHSA-N -1 0 349.363 2.776 20 30 EFEDRM CNc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc(Cl)n1 ZINC000755705752 575620679 /nfs/dbraw/zinc/62/06/79/575620679.db2.gz CNZDLIHYFMRBTJ-JTQLQIEISA-N -1 0 340.774 2.847 20 30 EFEDRM COc1ccc(NN=Cc2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000755803138 575638567 /nfs/dbraw/zinc/63/85/67/575638567.db2.gz YWYMAVBTDUNWRV-UHFFFAOYSA-N -1 0 330.340 2.613 20 30 EFEDRM C=C(C)[C@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)OCC ZINC000756469932 575743581 /nfs/dbraw/zinc/74/35/81/575743581.db2.gz ILEYTPDRSFFBGN-OCCSQVGLSA-N -1 0 336.413 2.542 20 30 EFEDRM CCC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(C(=O)[O-])ccc1F ZINC000756895273 575797854 /nfs/dbraw/zinc/79/78/54/575797854.db2.gz KIRVAYRFSQRSJJ-UHFFFAOYSA-N -1 0 331.351 2.606 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1cc(C)cc2C ZINC000756899051 575798519 /nfs/dbraw/zinc/79/85/19/575798519.db2.gz NKYIDHFFSQIUKV-UHFFFAOYSA-N -1 0 339.351 2.779 20 30 EFEDRM O=C([N-]CCOCC(F)(F)F)C(F)(F)c1c(F)cccc1F ZINC000756905060 575799301 /nfs/dbraw/zinc/79/93/01/575799301.db2.gz AVYHUUKNIFHKAX-UHFFFAOYSA-N -1 0 333.203 2.752 20 30 EFEDRM COC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756905717 575799655 /nfs/dbraw/zinc/79/96/55/575799655.db2.gz GKNBQSINEPLWTF-UHFFFAOYSA-N -1 0 328.324 2.626 20 30 EFEDRM CCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1c(C)nn(C)c1C ZINC000756905728 575799718 /nfs/dbraw/zinc/79/97/18/575799718.db2.gz HGZOLBRGXGYEQL-UHFFFAOYSA-N -1 0 330.388 2.970 20 30 EFEDRM C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000756980527 575807707 /nfs/dbraw/zinc/80/77/07/575807707.db2.gz NPVGLBLHBFEERJ-CQSZACIVSA-N -1 0 348.355 2.777 20 30 EFEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1cc(C(=O)[O-])ccc1O ZINC000757462133 575839677 /nfs/dbraw/zinc/83/96/77/575839677.db2.gz WEMGUEBMVZQKJG-UHFFFAOYSA-N -1 0 338.323 2.977 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NC(C)c2cc(C(=O)[O-])ccc2O)o1 ZINC000757461754 575839718 /nfs/dbraw/zinc/83/97/18/575839718.db2.gz QOZUXMZASNRCAN-UHFFFAOYSA-N -1 0 328.328 2.910 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1ccccc1C(=O)[O-] ZINC000757465387 575839803 /nfs/dbraw/zinc/83/98/03/575839803.db2.gz NNCLHYAJQUIZRZ-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(O)cc1[O-] ZINC000757471368 575840167 /nfs/dbraw/zinc/84/01/67/575840167.db2.gz CAWUCURFEARMAK-KXFIGUGUSA-N -1 0 343.354 2.970 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000757476395 575840448 /nfs/dbraw/zinc/84/04/48/575840448.db2.gz QUVZUINUVCZWDU-DAXSKMNVSA-N -1 0 338.331 2.970 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000758117514 575860197 /nfs/dbraw/zinc/86/01/97/575860197.db2.gz KVQUGWQEJBWWMR-UHFFFAOYSA-N -1 0 344.375 2.773 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2cncc(Br)c2)c1 ZINC000758122092 575860308 /nfs/dbraw/zinc/86/03/08/575860308.db2.gz DNGHRQIAFIAOAG-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1 ZINC000758434358 575869695 /nfs/dbraw/zinc/86/96/95/575869695.db2.gz PXVVQDRBGZHCFE-JSJZCHLLSA-N -1 0 342.347 2.934 20 30 EFEDRM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1 ZINC000758434356 575869712 /nfs/dbraw/zinc/86/97/12/575869712.db2.gz PXVVQDRBGZHCFE-DJTWPOEFSA-N -1 0 342.347 2.934 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000758530191 575871745 /nfs/dbraw/zinc/87/17/45/575871745.db2.gz LUUQICDEABKWEB-UHFFFAOYSA-N -1 0 330.409 2.808 20 30 EFEDRM COC(=O)[C@H](C)Cc1ccc(N=Cc2ccc(O)c(O)c2O)cc1 ZINC000758814433 575877799 /nfs/dbraw/zinc/87/77/99/575877799.db2.gz GGMLEONEUTVWDR-LLVKDONJSA-N -1 0 329.352 2.906 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1C#N ZINC000759071289 575884012 /nfs/dbraw/zinc/88/40/12/575884012.db2.gz UQMBWDUBMHBZAH-UHFFFAOYSA-N -1 0 348.708 2.712 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cccc(-c3ccccc3)c2)nn1 ZINC000759076192 575884110 /nfs/dbraw/zinc/88/41/10/575884110.db2.gz MEBVLSZVAXLFED-MDZDMXLPSA-N -1 0 333.347 2.926 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2\CCc3c4ccccc4sc3C2=O)nn1 ZINC000759083630 575884238 /nfs/dbraw/zinc/88/42/38/575884238.db2.gz ONVIRPTVBAQBLX-JXMROGBWSA-N -1 0 339.376 2.790 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2/CCCc3ccc(Cl)cc3C2=O)nn1 ZINC000759085799 575884317 /nfs/dbraw/zinc/88/43/17/575884317.db2.gz YNHHHTANCZLKRZ-WDZFZDKYSA-N -1 0 331.759 2.619 20 30 EFEDRM O=C(/C=C\c1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090162 575884351 /nfs/dbraw/zinc/88/43/51/575884351.db2.gz JMJOXLHODJAQTN-VURMDHGXSA-N -1 0 336.307 2.777 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3[O-])cc12 ZINC000759091377 575884431 /nfs/dbraw/zinc/88/44/31/575884431.db2.gz RAXRHYWVHYWGHN-HYXAFXHYSA-N -1 0 338.323 2.787 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759092125 575884437 /nfs/dbraw/zinc/88/44/37/575884437.db2.gz WEZMWDBIAKDAMR-YWEYNIOJSA-N -1 0 347.348 2.600 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=N[N-]c1ncccc1[N+](=O)[O-])C(=O)N2 ZINC000759206544 575887042 /nfs/dbraw/zinc/88/70/42/575887042.db2.gz MFEYHXHNECXLCT-UHFFFAOYSA-N -1 0 325.328 2.882 20 30 EFEDRM CC(C)CN1c2ccccc2C(=N[N-]c2ncccc2[N+](=O)[O-])C1=O ZINC000759206473 575887056 /nfs/dbraw/zinc/88/70/56/575887056.db2.gz XTLPWCJROUNJBL-UHFFFAOYSA-N -1 0 339.355 2.809 20 30 EFEDRM COc1cc(F)cc(NN=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000759210927 575887130 /nfs/dbraw/zinc/88/71/30/575887130.db2.gz WGDWRJGFVNWTAV-UHFFFAOYSA-N -1 0 335.291 2.903 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](CC)OCC ZINC000759232595 575887352 /nfs/dbraw/zinc/88/73/52/575887352.db2.gz UFYNBEUYIDAGRD-OLZOCXBDSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccoc1C ZINC000759238941 575887550 /nfs/dbraw/zinc/88/75/50/575887550.db2.gz YPCHQOLHZGWBNF-ZDUSSCGKSA-N -1 0 342.351 2.915 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C(C)C ZINC000759242086 575887587 /nfs/dbraw/zinc/88/75/87/575887587.db2.gz OAWSXROUPTXKIV-GWCFXTLKSA-N -1 0 332.400 2.992 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1 ZINC000759270933 575888311 /nfs/dbraw/zinc/88/83/11/575888311.db2.gz CYJZSJPQMOVIDP-FYJFLYSWSA-N -1 0 327.365 2.604 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Oc1c(F)c(F)cc(F)c1F ZINC000759429376 575891508 /nfs/dbraw/zinc/89/15/08/575891508.db2.gz JEDTVLOULXXKRH-UHFFFAOYSA-N -1 0 347.186 2.606 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759430825 575891552 /nfs/dbraw/zinc/89/15/52/575891552.db2.gz VKUWXYMOIPKQEC-SECBINFHSA-N -1 0 346.255 2.928 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000759494155 575893159 /nfs/dbraw/zinc/89/31/59/575893159.db2.gz AOXDXABWURFRAA-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ncc(C#N)s2)n1 ZINC000759632954 575913138 /nfs/dbraw/zinc/91/31/38/575913138.db2.gz UEXIXMMPNSPXEO-UHFFFAOYSA-N -1 0 343.343 2.606 20 30 EFEDRM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713573 575924933 /nfs/dbraw/zinc/92/49/33/575924933.db2.gz OECKUWPXWAYUHO-LBPRGKRZSA-N -1 0 333.347 2.718 20 30 EFEDRM COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(OC)c1OC ZINC000759720407 575925949 /nfs/dbraw/zinc/92/59/49/575925949.db2.gz DLIXOCZDATXLGZ-UHFFFAOYSA-N -1 0 328.324 2.542 20 30 EFEDRM CCC(N=Nc1ccc(-n2cccn2)nn1)c1ccc(C(=O)[O-])cc1 ZINC000760242965 575994430 /nfs/dbraw/zinc/99/44/30/575994430.db2.gz MCXBABFKYDWWEA-UHFFFAOYSA-N -1 0 336.355 2.587 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000760252573 575995846 /nfs/dbraw/zinc/99/58/46/575995846.db2.gz YLHIYGOGQGVWBA-UHFFFAOYSA-N -1 0 337.441 2.616 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C)c2F)n1 ZINC000761281638 576140057 /nfs/dbraw/zinc/14/00/57/576140057.db2.gz FCZBRVSFYJRKSZ-LBPRGKRZSA-N -1 0 332.356 2.932 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)nc2Cl)C(=O)O1 ZINC000761475154 576167677 /nfs/dbraw/zinc/16/76/77/576167677.db2.gz MVHDFGYVQXVVEN-DTRQGZQOSA-N -1 0 326.135 2.617 20 30 EFEDRM COc1cc(C=NNc2ccc(F)cc2OC)cc([N+](=O)[O-])c1[O-] ZINC000761885710 576225035 /nfs/dbraw/zinc/22/50/35/576225035.db2.gz XGIJVIVHMCYXAB-UHFFFAOYSA-N -1 0 335.291 2.903 20 30 EFEDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000761999677 576240846 /nfs/dbraw/zinc/24/08/46/576240846.db2.gz HYPVLICCOIBASA-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000762023939 576244898 /nfs/dbraw/zinc/24/48/98/576244898.db2.gz ZXEURFLNWRZZEO-UHFFFAOYSA-N -1 0 336.363 2.523 20 30 EFEDRM CC(C)(C)OC(=O)N1CC(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000762437996 576302556 /nfs/dbraw/zinc/30/25/56/576302556.db2.gz WKLAHPMIOMSVII-CAOOACKPSA-N -1 0 335.360 2.586 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2C(=O)Nc3c2c(C)ccc3F)n1 ZINC000762618244 576318652 /nfs/dbraw/zinc/31/86/52/576318652.db2.gz SGVFPYQXIVKYON-UHFFFAOYSA-N -1 0 342.378 2.539 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c(OC)cc1O ZINC000763107562 576361877 /nfs/dbraw/zinc/36/18/77/576361877.db2.gz ZFKHJKRFLJQICJ-HYXAFXHYSA-N -1 0 345.307 2.919 20 30 EFEDRM COc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(Cl)c1OC ZINC000763368247 576374449 /nfs/dbraw/zinc/37/44/49/576374449.db2.gz KBXCTQGFYWKBPP-UHFFFAOYSA-N -1 0 335.747 2.896 20 30 EFEDRM CC(C)CN1c2ccccc2C(=NNc2ccc(C(=O)[O-])cn2)C1=O ZINC000763369790 576374486 /nfs/dbraw/zinc/37/44/86/576374486.db2.gz XIEWCECIXKHAQE-UHFFFAOYSA-N -1 0 338.367 2.599 20 30 EFEDRM C=CCc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(OC)c1O ZINC000763370300 576374495 /nfs/dbraw/zinc/37/44/95/576374495.db2.gz NTIVYMOREOQDTM-UHFFFAOYSA-N -1 0 327.340 2.669 20 30 EFEDRM CCOc1c(OC)cc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763368459 576374501 /nfs/dbraw/zinc/37/45/01/576374501.db2.gz OKMKKMWBAWWPPM-UHFFFAOYSA-N -1 0 345.355 2.642 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccncc2)ccc1OCCC(=O)[O-] ZINC000763369566 576374540 /nfs/dbraw/zinc/37/45/40/576374540.db2.gz NMALNGDXYAFWFA-DUXPYHPUSA-N -1 0 327.336 2.840 20 30 EFEDRM COc1cc(NC(C)=O)ccc1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763371908 576374652 /nfs/dbraw/zinc/37/46/52/576374652.db2.gz LUBWPQGUTIOTIK-UHFFFAOYSA-N -1 0 342.355 2.583 20 30 EFEDRM COc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc(OC)c1OC ZINC000763371919 576374675 /nfs/dbraw/zinc/37/46/75/576374675.db2.gz LYNGEILVVFIKIS-UHFFFAOYSA-N -1 0 345.355 2.642 20 30 EFEDRM C#CCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000763372097 576374691 /nfs/dbraw/zinc/37/46/91/576374691.db2.gz RTCABCQJIGZBII-UHFFFAOYSA-N -1 0 339.351 2.637 20 30 EFEDRM COc1nccnc1[N-]N=C1C(=O)Nc2c1cc(Cl)cc2Cl ZINC000763409191 576376319 /nfs/dbraw/zinc/37/63/19/576376319.db2.gz SLDJHHHXLAARTD-UHFFFAOYSA-N -1 0 338.154 2.560 20 30 EFEDRM CC(=NN1CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000764657193 576486090 /nfs/dbraw/zinc/48/60/90/576486090.db2.gz GMRBHEHNMPXJRS-UHFFFAOYSA-N -1 0 333.613 2.864 20 30 EFEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1cccc(C(=O)[O-])c1 ZINC000764675691 576487988 /nfs/dbraw/zinc/48/79/88/576487988.db2.gz GODQOIOGCGTMDN-UHFFFAOYSA-N -1 0 345.399 2.912 20 30 EFEDRM COc1ccc(C=NNCc2ccc(Cl)cc2)c(OCC(=O)[O-])c1 ZINC000764717654 576493216 /nfs/dbraw/zinc/49/32/16/576493216.db2.gz GBVJENDTGMUZPC-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM O=C([O-])CCOc1cccc(CN=Nc2ncnc3ccsc32)c1 ZINC000764840372 576510484 /nfs/dbraw/zinc/51/04/84/576510484.db2.gz HKUFYEUIQCBXSE-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM CC(N=Nc1ncnc2ccsc21)c1cccc(OCC(=O)[O-])c1 ZINC000764842136 576510931 /nfs/dbraw/zinc/51/09/31/576510931.db2.gz WYBPPUZMJFHXGR-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM Cc1nn2c(C=N[N-]c3nc(-c4ccccc4)no3)c(C)nc2s1 ZINC000765573293 577055259 /nfs/dbraw/zinc/05/52/59/577055259.db2.gz ZXEFPRCCRHCEDA-UHFFFAOYSA-N -1 0 339.384 2.904 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1cnc2ccccc2n1 ZINC000765572382 577055317 /nfs/dbraw/zinc/05/53/17/577055317.db2.gz QIPLPGITUJJWPQ-UHFFFAOYSA-N -1 0 332.323 2.650 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766546657 577164965 /nfs/dbraw/zinc/16/49/65/577164965.db2.gz CADDKWXLBOUXHL-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766571463 577167787 /nfs/dbraw/zinc/16/77/87/577167787.db2.gz RBXDUHUWBSPKJM-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM CC(C)CN1N=C(C([O-])=C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000766846195 577184846 /nfs/dbraw/zinc/18/48/46/577184846.db2.gz IYJRPTLJDUMSKS-LBPRGKRZSA-N -1 0 338.367 2.638 20 30 EFEDRM C#CCCCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000766876379 577185990 /nfs/dbraw/zinc/18/59/90/577185990.db2.gz AKVZEODVVVXFOI-UHFFFAOYSA-N -1 0 331.393 2.782 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1 ZINC000766993254 577191133 /nfs/dbraw/zinc/19/11/33/577191133.db2.gz DXCVQHQJHNUPTE-UHFFFAOYSA-N -1 0 332.385 2.660 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000767041335 577193807 /nfs/dbraw/zinc/19/38/07/577193807.db2.gz MVIRVCWVELGRLO-GOSISDBHSA-N -1 0 335.359 2.523 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(SC(F)(F)F)cc2)[n-]c1=O ZINC000767048290 577193991 /nfs/dbraw/zinc/19/39/91/577193991.db2.gz YRUFAKMBMOKVBR-UHFFFAOYSA-N -1 0 329.307 2.944 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cnc1Cl ZINC000767472135 577209681 /nfs/dbraw/zinc/20/96/81/577209681.db2.gz OUTKNSCZJZGISQ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cnc1Cl ZINC000767702925 577228632 /nfs/dbraw/zinc/22/86/32/577228632.db2.gz RBEUXVMLNQFYKC-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000767729081 577230791 /nfs/dbraw/zinc/23/07/91/577230791.db2.gz KSHLMCFKSVXCHG-BJMVGYQFSA-N -1 0 340.331 2.833 20 30 EFEDRM CC(N=Nc1ncnc2sccc21)c1cccc(OCC(=O)[O-])c1 ZINC000725819583 577234150 /nfs/dbraw/zinc/23/41/50/577234150.db2.gz ZGZPFNIFMOSLRY-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM COc1ccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c([N+](=O)[O-])c1 ZINC000767796133 577234493 /nfs/dbraw/zinc/23/44/93/577234493.db2.gz HBZVSFCBDSLJCC-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(Cl)ccc1O ZINC000725858454 577253094 /nfs/dbraw/zinc/25/30/94/577253094.db2.gz AMEWKCLIBMSRLM-UHFFFAOYSA-N -1 0 331.784 2.926 20 30 EFEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc2cc(F)ccc2s1 ZINC000739075673 577266589 /nfs/dbraw/zinc/26/65/89/577266589.db2.gz UWWNKAKMIDXHMK-SECBINFHSA-N -1 0 338.385 2.820 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000739075736 577266686 /nfs/dbraw/zinc/26/66/86/577266686.db2.gz VMCBPBJRHASHKS-CYBMUJFWSA-N -1 0 349.268 2.793 20 30 EFEDRM Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000768358444 577268408 /nfs/dbraw/zinc/26/84/08/577268408.db2.gz VMLSRJNKIBMODG-UHFFFAOYSA-N -1 0 342.779 2.806 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])cn1 ZINC000739088757 577273604 /nfs/dbraw/zinc/27/36/04/577273604.db2.gz WJIGRWCSHQOCOB-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(C(N)=O)c(Cl)c2)C(=O)[O-])cc1 ZINC000739107881 577280776 /nfs/dbraw/zinc/28/07/76/577280776.db2.gz CHSHIDKEKIIBRX-CQSZACIVSA-N -1 0 329.743 2.548 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(Cl)c(C(N)=O)c2)C(=O)[O-])cc1 ZINC000739110254 577281462 /nfs/dbraw/zinc/28/14/62/577281462.db2.gz PGHRZGFMBVYMHQ-CQSZACIVSA-N -1 0 329.743 2.548 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)COc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114837 577282241 /nfs/dbraw/zinc/28/22/41/577282241.db2.gz KTUWMOMBHCAYJG-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc(NCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739121304 577282654 /nfs/dbraw/zinc/28/26/54/577282654.db2.gz NQQLWAYKYHGOMC-UHFFFAOYSA-N -1 0 328.299 2.551 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)nn1 ZINC000768850000 577309464 /nfs/dbraw/zinc/30/94/64/577309464.db2.gz VVRDTECRLLZWSL-ZHACJKMWSA-N -1 0 333.347 2.926 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=C2CCC(C(=O)[O-])CC2)cc1 ZINC000737954548 577325485 /nfs/dbraw/zinc/32/54/85/577325485.db2.gz AJAXPSAXQPGWHP-UHFFFAOYSA-N -1 0 334.445 2.670 20 30 EFEDRM C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000769288078 577349208 /nfs/dbraw/zinc/34/92/08/577349208.db2.gz JWNSPVCTIIBXOR-QWRGUYRKSA-N -1 0 340.832 2.843 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NN2CCc3ccccc3C2=O)c1 ZINC000769593194 577373776 /nfs/dbraw/zinc/37/37/76/577373776.db2.gz PDCSMLOKKUNCHF-UHFFFAOYSA-N -1 0 338.363 2.573 20 30 EFEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000726731853 577382225 /nfs/dbraw/zinc/38/22/25/577382225.db2.gz OZYGVGVHXHCXRW-SNVBAGLBSA-N -1 0 328.397 2.797 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000769771902 577384209 /nfs/dbraw/zinc/38/42/09/577384209.db2.gz SZPUYPLDYVZZSO-SNAWJCMRSA-N -1 0 347.279 2.556 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(Cl)cc2Br)[n-]c1=O ZINC000769797835 577385757 /nfs/dbraw/zinc/38/57/57/577385757.db2.gz MSNHJGKLJNYYJD-UHFFFAOYSA-N -1 0 342.584 2.748 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccnc(Br)c1)O2 ZINC000769805030 577386555 /nfs/dbraw/zinc/38/65/55/577386555.db2.gz MWXURMFPXFXMKH-UHFFFAOYSA-N -1 0 348.156 2.859 20 30 EFEDRM C=CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(F)cc1 ZINC000769815920 577387352 /nfs/dbraw/zinc/38/73/52/577387352.db2.gz AIPFCIQTUSQXJG-UHFFFAOYSA-N -1 0 326.335 2.600 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cccc(C)c2)n1 ZINC000726829373 577388825 /nfs/dbraw/zinc/38/88/25/577388825.db2.gz XOKNJAWEOVPJJQ-CQSZACIVSA-N -1 0 328.393 2.722 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(N(CC)CCCC)cc1 ZINC000770103434 577402274 /nfs/dbraw/zinc/40/22/74/577402274.db2.gz ZASIVVNOSOYDQA-QGZVFWFLSA-N -1 0 327.428 2.938 20 30 EFEDRM CC(C)Oc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC000770109419 577402549 /nfs/dbraw/zinc/40/25/49/577402549.db2.gz FNZWNJYFCDRUGY-ZDUSSCGKSA-N -1 0 349.818 2.903 20 30 EFEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(C)C ZINC000770156890 577404899 /nfs/dbraw/zinc/40/48/99/577404899.db2.gz KZWVZDFESBMKFT-INIZCTEOSA-N -1 0 338.411 2.860 20 30 EFEDRM COC(=O)c1ccc(NCCOc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000737698743 577410439 /nfs/dbraw/zinc/41/04/39/577410439.db2.gz BBUGLYRIEQOJPV-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM C#C[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000770376488 577413641 /nfs/dbraw/zinc/41/36/41/577413641.db2.gz IKQNTSYPDABIRJ-MRVPVSSYSA-N -1 0 337.184 2.592 20 30 EFEDRM Cc1cc(F)cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1N ZINC000738396279 577429343 /nfs/dbraw/zinc/42/93/43/577429343.db2.gz AEGMZIBMPVKDGJ-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM Cc1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)c1 ZINC000770866524 581143524 /nfs/dbraw/zinc/14/35/24/581143524.db2.gz RKQBZYZVYAIKDG-ZDUSSCGKSA-N -1 0 327.409 2.721 20 30 EFEDRM O=C([N-][C@@H](CO)c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000770886745 581146383 /nfs/dbraw/zinc/14/63/83/581146383.db2.gz XWTKMGYNHSNGEN-QMMMGPOBSA-N -1 0 333.203 2.755 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000770898344 581147628 /nfs/dbraw/zinc/14/76/28/581147628.db2.gz QGDLHEKRAYLYTJ-UHFFFAOYSA-N -1 0 335.347 2.660 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771071340 581171192 /nfs/dbraw/zinc/17/11/92/581171192.db2.gz MDOHYIUMJTYFBE-UHFFFAOYSA-N -1 0 334.441 2.738 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)CCC1 ZINC000771082113 581172999 /nfs/dbraw/zinc/17/29/99/581172999.db2.gz XAOICKHHOXDWPG-UHFFFAOYSA-N -1 0 334.422 2.655 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NCC(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)n1 ZINC000771098814 581175114 /nfs/dbraw/zinc/17/51/14/581175114.db2.gz QKGOURXIVOYFKR-AWEZNQCLSA-N -1 0 343.387 2.975 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCC(F)(F)F)n1 ZINC000771130007 581178435 /nfs/dbraw/zinc/17/84/35/581178435.db2.gz HBEYGPLPEWVBOL-SECBINFHSA-N -1 0 334.319 2.904 20 30 EFEDRM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cncc(O)c1 ZINC000771359224 581202942 /nfs/dbraw/zinc/20/29/42/581202942.db2.gz BKCFMAGJIBMVSF-UHFFFAOYSA-N -1 0 337.253 2.894 20 30 EFEDRM C#CC[N@@H+](CC(=O)[N-]OCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000772175393 581292304 /nfs/dbraw/zinc/29/23/04/581292304.db2.gz MDMLJCAZXQRBOT-HXUWFJFHSA-N -1 0 334.419 2.857 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000772716521 581359254 /nfs/dbraw/zinc/35/92/54/581359254.db2.gz BVELWRZZJKSVRS-UHFFFAOYSA-N -1 0 332.425 2.682 20 30 EFEDRM COc1cccc([C@H](C#N)NC(=O)c2c([O-])cccc2F)c1OC ZINC000772852412 581375317 /nfs/dbraw/zinc/37/53/17/581375317.db2.gz VDHLYKSMXRXOHW-LBPRGKRZSA-N -1 0 330.315 2.543 20 30 EFEDRM COc1ccccc1NC(=S)NN=C(C)c1ccc(C(=O)[O-])o1 ZINC000773006047 581387068 /nfs/dbraw/zinc/38/70/68/581387068.db2.gz PNDRNNBJLQDEQH-UHFFFAOYSA-N -1 0 333.369 2.697 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(C(=O)[O-])o1 ZINC000773032817 581389514 /nfs/dbraw/zinc/38/95/14/581389514.db2.gz QIGUEILKVJMJMD-UHFFFAOYSA-N -1 0 340.339 2.544 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccn1[C@H](C)Cc1ccccc1 ZINC000773770883 581463414 /nfs/dbraw/zinc/46/34/14/581463414.db2.gz PQFHKXCIEHIWBZ-NVXWUHKLSA-N -1 0 335.407 2.916 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccn1[C@H](C)Cc1ccccc1 ZINC000773770892 581463514 /nfs/dbraw/zinc/46/35/14/581463514.db2.gz PQFHKXCIEHIWBZ-WBVHZDCISA-N -1 0 335.407 2.916 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC000773855703 581469921 /nfs/dbraw/zinc/46/99/21/581469921.db2.gz KDLCTDHBLMPUHG-CQSZACIVSA-N -1 0 332.425 2.537 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000774041888 581479998 /nfs/dbraw/zinc/47/99/98/581479998.db2.gz BSMSWFHZMYNXFO-AWEZNQCLSA-N -1 0 345.374 2.555 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000774048984 581480392 /nfs/dbraw/zinc/48/03/92/581480392.db2.gz VSEKAUCQKCEKCU-UHFFFAOYSA-N -1 0 329.302 2.939 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cn(CCCC#N)c2ccccc12 ZINC000774055639 581480824 /nfs/dbraw/zinc/48/08/24/581480824.db2.gz VWUAZGOJYSIWNK-OAHLLOKOSA-N -1 0 336.395 2.792 20 30 EFEDRM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000774073961 581481836 /nfs/dbraw/zinc/48/18/36/581481836.db2.gz ZHYZGFQTBFWLFK-DOMZBBRYSA-N -1 0 340.832 2.699 20 30 EFEDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000774201288 581487022 /nfs/dbraw/zinc/48/70/22/581487022.db2.gz MMPUPNGEHFWPGP-CYBMUJFWSA-N -1 0 347.440 2.803 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)sc1C ZINC000774259704 581488268 /nfs/dbraw/zinc/48/82/68/581488268.db2.gz KLASBYZFOWEIBM-GFCCVEGCSA-N -1 0 349.362 2.677 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)sc1C ZINC000774261101 581488304 /nfs/dbraw/zinc/48/83/04/581488304.db2.gz VZHJRBAVRYNMHL-CQSZACIVSA-N -1 0 327.409 2.707 20 30 EFEDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)cc1 ZINC000774544008 581493654 /nfs/dbraw/zinc/49/36/54/581493654.db2.gz SUPPJGGMPGMWJI-UHFFFAOYSA-N -1 0 342.420 2.575 20 30 EFEDRM CN(CCC#N)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000830723009 601587375 /nfs/dbraw/zinc/58/73/75/601587375.db2.gz NRJHQQLISWTIDH-UHFFFAOYSA-N -1 0 344.140 2.664 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000818435610 596985392 /nfs/dbraw/zinc/98/53/92/596985392.db2.gz PFMBHBMEEDSXIR-UHFFFAOYSA-N -1 0 340.339 2.684 20 30 EFEDRM N#Cc1ccc(CSc2ccccc2C(=O)NCC(=O)[O-])cc1 ZINC000740315013 597027335 /nfs/dbraw/zinc/02/73/35/597027335.db2.gz JBUJTRBNYDKEGU-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819091389 597121887 /nfs/dbraw/zinc/12/18/87/597121887.db2.gz ZQMIRYQAGHBLQL-UHFFFAOYSA-N -1 0 338.367 2.656 20 30 EFEDRM CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C(=O)[O-] ZINC000818299047 597143248 /nfs/dbraw/zinc/14/32/48/597143248.db2.gz KLEIPVWCSHJVBI-CYBMUJFWSA-N -1 0 344.396 2.590 20 30 EFEDRM N#CCOc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738426891 597172047 /nfs/dbraw/zinc/17/20/47/597172047.db2.gz UMFCOPRDASXBLX-UHFFFAOYSA-N -1 0 325.324 2.860 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818240027 597174600 /nfs/dbraw/zinc/17/46/00/597174600.db2.gz JBRQVJLKKWQTQI-UHFFFAOYSA-N -1 0 339.351 2.977 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000819100582 597198472 /nfs/dbraw/zinc/19/84/72/597198472.db2.gz QRPJEZUKPBZIKA-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM C=CCn1c(-c2cccs2)nn(CN(C)[C@H](C)C(=O)[O-])c1=S ZINC000817689870 597226699 /nfs/dbraw/zinc/22/66/99/597226699.db2.gz CILCZFPLDBFZRV-SNVBAGLBSA-N -1 0 338.458 2.691 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000819090829 597311578 /nfs/dbraw/zinc/31/15/78/597311578.db2.gz GDCXBVBITKDOLT-UHFFFAOYSA-N -1 0 338.319 2.594 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000818039339 597320060 /nfs/dbraw/zinc/32/00/60/597320060.db2.gz ADVHCUBJTYJZDK-NSHDSACASA-N -1 0 325.324 2.945 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000817675244 597339114 /nfs/dbraw/zinc/33/91/14/597339114.db2.gz FYMPSBRAFMUENG-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820506685 597607898 /nfs/dbraw/zinc/60/78/98/597607898.db2.gz JQLYBKDKBWWHJA-OAHLLOKOSA-N -1 0 334.763 2.653 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000819821047 597608325 /nfs/dbraw/zinc/60/83/25/597608325.db2.gz CCRYZEOJWFLGAR-BLLLJJGKSA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000819848883 597609018 /nfs/dbraw/zinc/60/90/18/597609018.db2.gz VIDJLDRKPCHDOB-GFCCVEGCSA-N -1 0 347.115 2.670 20 30 EFEDRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820106893 597611415 /nfs/dbraw/zinc/61/14/15/597611415.db2.gz BRAZXFQQOWPECV-ZUZCIYMTSA-N -1 0 342.317 2.757 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1cc(Cl)cc(Cl)c1 ZINC000819864781 597611755 /nfs/dbraw/zinc/61/17/55/597611755.db2.gz DJDANYWCZDXEJX-AWEZNQCLSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1cc(Cl)cc(Cl)c1 ZINC000819864782 597611756 /nfs/dbraw/zinc/61/17/56/597611756.db2.gz DJDANYWCZDXEJX-CQSZACIVSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820106891 597611794 /nfs/dbraw/zinc/61/17/94/597611794.db2.gz BRAZXFQQOWPECV-BONVTDFDSA-N -1 0 342.317 2.757 20 30 EFEDRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820106890 597611798 /nfs/dbraw/zinc/61/17/98/597611798.db2.gz BRAZXFQQOWPECV-BMIGLBTASA-N -1 0 342.317 2.757 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000821009092 597612340 /nfs/dbraw/zinc/61/23/40/597612340.db2.gz VKJXDFZKWNSHQS-SCLBCKFNSA-N -1 0 344.415 2.712 20 30 EFEDRM Cc1c2ccccc2sc1C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820934275 597613501 /nfs/dbraw/zinc/61/35/01/597613501.db2.gz RBWHHSBADIMROU-QGZVFWFLSA-N -1 0 345.376 2.940 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)cc1Br ZINC000819874550 597614289 /nfs/dbraw/zinc/61/42/89/597614289.db2.gz MLNIPUGVACMMIO-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1cc(Br)ccc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820954164 597614842 /nfs/dbraw/zinc/61/48/42/597614842.db2.gz POANIDDGFOSJBW-AWEZNQCLSA-N -1 0 340.173 2.805 20 30 EFEDRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821248085 597616638 /nfs/dbraw/zinc/61/66/38/597616638.db2.gz COXURQGFIDZQAV-OAHLLOKOSA-N -1 0 334.353 2.759 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000819865160 597621572 /nfs/dbraw/zinc/62/15/72/597621572.db2.gz IEHUFQYRGNWSKT-GOSISDBHSA-N -1 0 325.320 2.570 20 30 EFEDRM Cc1cc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c(Cl)cc1F ZINC000820953938 597624021 /nfs/dbraw/zinc/62/40/21/597624021.db2.gz INABHVFZBAXGSS-HNNXBMFYSA-N -1 0 341.722 2.518 20 30 EFEDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602160 597630699 /nfs/dbraw/zinc/63/06/99/597630699.db2.gz KAGMOGLTTMEMFR-LJQANCHMSA-N -1 0 343.427 2.640 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000819855820 597636390 /nfs/dbraw/zinc/63/63/90/597636390.db2.gz DEUDXVHQDRCAOL-QGZVFWFLSA-N -1 0 338.323 2.766 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000819811196 597640315 /nfs/dbraw/zinc/64/03/15/597640315.db2.gz LNFFFCQFARUJSG-SFHVURJKSA-N -1 0 332.375 2.611 20 30 EFEDRM Cc1cc(C)cc(-c2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]2)c1 ZINC000820968129 597641701 /nfs/dbraw/zinc/64/17/01/597641701.db2.gz NBJUECGTFZMYEA-QGZVFWFLSA-N -1 0 326.356 2.637 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819874214 597658862 /nfs/dbraw/zinc/65/88/62/597658862.db2.gz JEOYMNMVFKTYFN-LBPRGKRZSA-N -1 0 339.351 2.997 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000820733271 597818377 /nfs/dbraw/zinc/81/83/77/597818377.db2.gz ZGIWDLNXKUYDBK-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000820006489 598072885 /nfs/dbraw/zinc/07/28/85/598072885.db2.gz AGWUIONKXIHBQG-UHFFFAOYSA-N -1 0 342.351 2.665 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320700 598148703 /nfs/dbraw/zinc/14/87/03/598148703.db2.gz SXGJPQBFAQAFFV-CQSZACIVSA-N -1 0 342.738 2.999 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000820479942 598160053 /nfs/dbraw/zinc/16/00/53/598160053.db2.gz LVUKPCARKFFENK-INIZCTEOSA-N -1 0 336.347 2.908 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320034 598160099 /nfs/dbraw/zinc/16/00/99/598160099.db2.gz GZEIOCGLBUMAEV-LBPRGKRZSA-N -1 0 342.738 2.999 20 30 EFEDRM CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820374405 598160350 /nfs/dbraw/zinc/16/03/50/598160350.db2.gz QCDBSMJNXWXHAU-LLVKDONJSA-N -1 0 344.348 2.508 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NCCCCC(=O)[O-])c1C#N ZINC000820912706 598165582 /nfs/dbraw/zinc/16/55/82/598165582.db2.gz QINVZXCZBWODCW-UHFFFAOYSA-N -1 0 333.413 2.537 20 30 EFEDRM O=C([O-])CCCCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000821518950 598169297 /nfs/dbraw/zinc/16/92/97/598169297.db2.gz VKHNGCBSCGBPKU-UHFFFAOYSA-N -1 0 337.379 2.858 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1C#N ZINC000820836766 598179212 /nfs/dbraw/zinc/17/92/12/598179212.db2.gz HKVSAOMVUNCIFA-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000819875378 598221669 /nfs/dbraw/zinc/22/16/69/598221669.db2.gz WFHBIYBDHUGNGK-IBGZPJMESA-N -1 0 337.331 2.828 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000819864997 598222402 /nfs/dbraw/zinc/22/24/02/598222402.db2.gz FVXQNGJMIMAUFL-INIZCTEOSA-N -1 0 345.380 2.665 20 30 EFEDRM Cn1ccnc1Sc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000821305286 598223272 /nfs/dbraw/zinc/22/32/72/598223272.db2.gz VLNAMWSCUPQDJE-MRXNPFEDSA-N -1 0 344.396 2.514 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Br)c1 ZINC000820115469 598223451 /nfs/dbraw/zinc/22/34/51/598223451.db2.gz WTLXYUZOYLVMCS-OTYXRUKQSA-N -1 0 339.189 2.631 20 30 EFEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Br ZINC000821088199 598223471 /nfs/dbraw/zinc/22/34/71/598223471.db2.gz QAKJNSYGBKIDPH-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820597098 598223717 /nfs/dbraw/zinc/22/37/17/598223717.db2.gz DQSOTRQWBZWKKY-CQSZACIVSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000819856131 598223765 /nfs/dbraw/zinc/22/37/65/598223765.db2.gz GUUTXOFGOXMAMA-CYBMUJFWSA-N -1 0 330.262 2.571 20 30 EFEDRM COc1cccc(CN(CC(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820865773 598223808 /nfs/dbraw/zinc/22/38/08/598223808.db2.gz XTXWRVJGQXEGDB-SFHVURJKSA-N -1 0 332.400 2.684 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000819856733 598224372 /nfs/dbraw/zinc/22/43/72/598224372.db2.gz MOPIQUGDZPWYPX-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000819855778 598224382 /nfs/dbraw/zinc/22/43/82/598224382.db2.gz DCVIGBBQKPGAAO-GOSISDBHSA-N -1 0 342.351 2.939 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000819865073 598224979 /nfs/dbraw/zinc/22/49/79/598224979.db2.gz GYDFAYWFIQPTAV-OAHLLOKOSA-N -1 0 333.344 2.892 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000819856049 598225765 /nfs/dbraw/zinc/22/57/65/598225765.db2.gz FOEQFMKOEXDFQB-INIZCTEOSA-N -1 0 342.380 2.571 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000819820859 598225991 /nfs/dbraw/zinc/22/59/91/598225991.db2.gz ACCCRCNMBMYSNS-JVLSTEMRSA-N -1 0 340.301 2.682 20 30 EFEDRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@](C)(C#N)CC(=O)[O-])nc2c1 ZINC000821103709 598225997 /nfs/dbraw/zinc/22/59/97/598225997.db2.gz MWMBDIVBOQAGAX-KBXCAEBGSA-N -1 0 340.383 2.539 20 30 EFEDRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@](C)(C#N)CC(=O)[O-])nc2c1 ZINC000821103713 598226040 /nfs/dbraw/zinc/22/60/40/598226040.db2.gz MWMBDIVBOQAGAX-KSSFIOAISA-N -1 0 340.383 2.539 20 30 EFEDRM Cc1cccc(C2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC2)c1 ZINC000821112280 598226452 /nfs/dbraw/zinc/22/64/52/598226452.db2.gz OMWHZNZZZBDXLO-GOSISDBHSA-N -1 0 328.412 2.928 20 30 EFEDRM COc1ccc2oc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)c2c1 ZINC000820858536 598227006 /nfs/dbraw/zinc/22/70/06/598227006.db2.gz GGGZJIWQNPXLFW-BBATYDOGSA-N -1 0 344.367 2.932 20 30 EFEDRM COc1ccc2oc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c2c1 ZINC000820858537 598227014 /nfs/dbraw/zinc/22/70/14/598227014.db2.gz GGGZJIWQNPXLFW-VOJFVSQTSA-N -1 0 344.367 2.932 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000819874071 598227043 /nfs/dbraw/zinc/22/70/43/598227043.db2.gz GUDZTXVCWFAZJX-MRXNPFEDSA-N -1 0 330.365 2.858 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000820114817 598227074 /nfs/dbraw/zinc/22/70/74/598227074.db2.gz QETMIIWEQOROSP-PIGZYNQJSA-N -1 0 343.408 2.992 20 30 EFEDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820107287 598227241 /nfs/dbraw/zinc/22/72/41/598227241.db2.gz GDOQVHWDMVOQMS-BMIGLBTASA-N -1 0 342.317 2.757 20 30 EFEDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820107290 598227244 /nfs/dbraw/zinc/22/72/44/598227244.db2.gz GDOQVHWDMVOQMS-ZUZCIYMTSA-N -1 0 342.317 2.757 20 30 EFEDRM Cc1cc(C)cc(-c2nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s2)c1 ZINC000820968207 598227774 /nfs/dbraw/zinc/22/77/74/598227774.db2.gz UDUAAYIUZFGBBZ-MRXNPFEDSA-N -1 0 344.396 2.765 20 30 EFEDRM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000821075901 598228995 /nfs/dbraw/zinc/22/89/95/598228995.db2.gz LJJAUUQMJKOACX-VDZJLULYSA-N -1 0 344.411 2.584 20 30 EFEDRM CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820278339 598229272 /nfs/dbraw/zinc/22/92/72/598229272.db2.gz MRSQYSFURQOFHJ-MADCSZMMSA-N -1 0 349.334 2.734 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000820115406 598229451 /nfs/dbraw/zinc/22/94/51/598229451.db2.gz VTEJQHYNCVOLNL-DJJJIMSYSA-N -1 0 337.379 2.930 20 30 EFEDRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820266865 598230106 /nfs/dbraw/zinc/23/01/06/598230106.db2.gz WGBVKLYKMYVNGW-UGSOOPFHSA-N -1 0 332.400 2.793 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737795753 598393084 /nfs/dbraw/zinc/39/30/84/598393084.db2.gz LNNOVVSIZFIVKC-UTCJRWHESA-N -1 0 326.337 2.523 20 30 EFEDRM C#CCOc1cccc([C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000736089831 599704055 /nfs/dbraw/zinc/70/40/55/599704055.db2.gz QTWLINZHBMBKHW-CJNGLKHVSA-N -1 0 333.384 2.985 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736091580 599710277 /nfs/dbraw/zinc/71/02/77/599710277.db2.gz YWYKQWPQNVABEP-SFHVURJKSA-N -1 0 340.354 2.503 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)nc1 ZINC000739102101 599715217 /nfs/dbraw/zinc/71/52/17/599715217.db2.gz RIFGBEWMUDDQAY-UHFFFAOYSA-N -1 0 336.351 2.504 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1NN=Cc1ccccc1C(=O)[O-] ZINC000725842234 599734151 /nfs/dbraw/zinc/73/41/51/599734151.db2.gz IMRFHAFVMABLBA-UHFFFAOYSA-N -1 0 336.351 2.561 20 30 EFEDRM N#Cc1cn(CCOc2cccc(C(=O)[O-])c2)c2ccccc2c1=O ZINC000739141864 599750400 /nfs/dbraw/zinc/75/04/00/599750400.db2.gz BAHVHFPKUHHGFK-UHFFFAOYSA-N -1 0 334.331 2.650 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])nc1 ZINC000739101797 599758991 /nfs/dbraw/zinc/75/89/91/599758991.db2.gz LRSICWBKADAXJW-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000739065899 599815735 /nfs/dbraw/zinc/81/57/35/599815735.db2.gz DRXASEISTIQCIN-UHFFFAOYSA-N -1 0 342.399 2.752 20 30 EFEDRM C=CCCC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736097322 599817208 /nfs/dbraw/zinc/81/72/08/599817208.db2.gz GVFZWROLOCIKPS-MRXNPFEDSA-N -1 0 336.819 2.576 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738431942 599833065 /nfs/dbraw/zinc/83/30/65/599833065.db2.gz DCBJLEMPKXCWTK-KRWDZBQOSA-N -1 0 335.363 2.864 20 30 EFEDRM C#CCOc1cccc(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)c1 ZINC000736089132 599833953 /nfs/dbraw/zinc/83/39/53/599833953.db2.gz GWWMCIDCEWKZIP-UHFFFAOYSA-N -1 0 326.352 2.848 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000739122177 599839364 /nfs/dbraw/zinc/83/93/64/599839364.db2.gz AAVHROGXDNTCDS-GOSISDBHSA-N -1 0 349.390 2.793 20 30 EFEDRM Cc1cc(C(=O)NCCCCC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738330264 599868554 /nfs/dbraw/zinc/86/85/54/599868554.db2.gz KSOUUOWUNXSBDF-UHFFFAOYSA-N -1 0 339.395 2.951 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000737095008 599868555 /nfs/dbraw/zinc/86/85/55/599868555.db2.gz KZIMCZISZSUJHK-UHFFFAOYSA-N -1 0 339.395 2.903 20 30 EFEDRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000738327734 599868595 /nfs/dbraw/zinc/86/85/95/599868595.db2.gz NVDJTIVSXKZXDE-OAHLLOKOSA-N -1 0 337.379 2.513 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000739123736 599883630 /nfs/dbraw/zinc/88/36/30/599883630.db2.gz UIGGPYRJNDQPBE-HNNXBMFYSA-N -1 0 340.335 2.562 20 30 EFEDRM CCOc1ccc(/C=N/CCOc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000737198721 599886492 /nfs/dbraw/zinc/88/64/92/599886492.db2.gz FTTYSWBEICYZKS-XDHOZWIPSA-N -1 0 329.352 2.987 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000738435016 599904038 /nfs/dbraw/zinc/90/40/38/599904038.db2.gz SAJCDRMJNYFMMR-UHFFFAOYSA-N -1 0 342.376 2.752 20 30 EFEDRM Cc1oc(C)c(S(=O)(=O)N(CCC#N)c2ccccc2)c1C(=O)[O-] ZINC000323998017 599907684 /nfs/dbraw/zinc/90/76/84/599907684.db2.gz DWDGZWTZQRONMQ-UHFFFAOYSA-N -1 0 348.380 2.704 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739132929 599911661 /nfs/dbraw/zinc/91/16/61/599911661.db2.gz WUWYEEWHACOCIW-MRXNPFEDSA-N -1 0 326.377 2.592 20 30 EFEDRM C[C@H](CN(C(=O)CSCc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000237600902 599917400 /nfs/dbraw/zinc/91/74/00/599917400.db2.gz PYQDFJPPEFUXRX-GFCCVEGCSA-N -1 0 332.425 2.503 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000739129770 599931970 /nfs/dbraw/zinc/93/19/70/599931970.db2.gz CLYCOKKVYZKAJO-OAHLLOKOSA-N -1 0 336.347 2.897 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000738278596 599938323 /nfs/dbraw/zinc/93/83/23/599938323.db2.gz WUSNMZJVQISNED-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=O)N1C1CC1 ZINC000736752271 599984759 /nfs/dbraw/zinc/98/47/59/599984759.db2.gz VUJVIYLLBFTMFM-MGPLVRAMSA-N -1 0 341.367 2.565 20 30 EFEDRM N#CC1(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)CCCCC1 ZINC000739065910 599989920 /nfs/dbraw/zinc/98/99/20/599989920.db2.gz FERLSZJAHNTOOF-UHFFFAOYSA-N -1 0 327.340 2.550 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000739140058 599996892 /nfs/dbraw/zinc/99/68/92/599996892.db2.gz OPGPJBHLOUMQCP-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)CSc1ccc(C#N)cc1 ZINC000738963462 600002988 /nfs/dbraw/zinc/00/29/88/600002988.db2.gz JJOSXHLDWWWNFT-UHFFFAOYSA-N -1 0 331.349 2.993 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ccc2ccccc2n1 ZINC000738922496 600004154 /nfs/dbraw/zinc/00/41/54/600004154.db2.gz JKFHZWKQHGPYAR-UHFFFAOYSA-N -1 0 337.383 2.969 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NCC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000737942329 600018119 /nfs/dbraw/zinc/01/81/19/600018119.db2.gz GMFKWTKQMHECLG-UHFFFAOYSA-N -1 0 339.351 2.510 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C3(C#N)CCCC3)nc2n1 ZINC000738342106 600049425 /nfs/dbraw/zinc/04/94/25/600049425.db2.gz KVUDHXBLIVEZJB-UHFFFAOYSA-N -1 0 330.369 2.720 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc(C#N)cc3)nc2n1 ZINC000738346553 600049975 /nfs/dbraw/zinc/04/99/75/600049975.db2.gz WKSPQGZEAKCDKK-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000727261415 600055498 /nfs/dbraw/zinc/05/54/98/600055498.db2.gz GBSIXPYRQLFIJT-UHFFFAOYSA-N -1 0 347.371 2.853 20 30 EFEDRM C#Cc1ccc(C(=O)Oc2c(CC=C)cc(C(=O)[O-])cc2OC)nc1 ZINC000736090688 600060243 /nfs/dbraw/zinc/06/02/43/600060243.db2.gz GVWBUFHLXOQRBD-UHFFFAOYSA-N -1 0 337.331 2.717 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)nc1 ZINC000736092534 600063133 /nfs/dbraw/zinc/06/31/33/600063133.db2.gz HGFWWWABMWDAIR-INIZCTEOSA-N -1 0 340.404 2.731 20 30 EFEDRM C#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])nc1 ZINC000736093704 600072420 /nfs/dbraw/zinc/07/24/20/600072420.db2.gz YRSCCWCAFKZQBJ-UHFFFAOYSA-N -1 0 336.372 2.906 20 30 EFEDRM C=CCn1c(C)nn(CN2Cc3ccc(C(=O)[O-])cc3C2)c1=S ZINC000736117740 600076732 /nfs/dbraw/zinc/07/67/32/600076732.db2.gz MRVHHRODRWEHET-UHFFFAOYSA-N -1 0 330.413 2.580 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000316007401 600081184 /nfs/dbraw/zinc/08/11/84/600081184.db2.gz RLJFXNHQJQRWMU-UHFFFAOYSA-N -1 0 337.422 2.962 20 30 EFEDRM N#CCCN(C(=O)CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000739072963 600088387 /nfs/dbraw/zinc/08/83/87/600088387.db2.gz NYAQIDVABJDIMY-UHFFFAOYSA-N -1 0 349.390 2.647 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736701147 600112421 /nfs/dbraw/zinc/11/24/21/600112421.db2.gz PPMMRCOWUZEKRP-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736701148 600112536 /nfs/dbraw/zinc/11/25/36/600112536.db2.gz PPMMRCOWUZEKRP-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM CC[C@@](NC(=O)c1ccccc1OCC#N)(C(=O)[O-])c1ccccc1 ZINC000736920100 600132060 /nfs/dbraw/zinc/13/20/60/600132060.db2.gz NEEZNDCHZYRIPX-IBGZPJMESA-N -1 0 338.363 2.709 20 30 EFEDRM N#CCc1ccc(NC(=O)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000739092744 600180421 /nfs/dbraw/zinc/18/04/21/600180421.db2.gz VZDMTCCWIMFEJW-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=S)NC3CCCCC3)c2c1 ZINC000740190232 600180626 /nfs/dbraw/zinc/18/06/26/600180626.db2.gz NUVRTTXHTSQCKH-UHFFFAOYSA-N -1 0 344.440 2.997 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3ccc([N+](=O)[O-])cn3)c2c1 ZINC000740189157 600182067 /nfs/dbraw/zinc/18/20/67/600182067.db2.gz GVLRCHUTMPQYBW-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000739086829 600192407 /nfs/dbraw/zinc/19/24/07/600192407.db2.gz CQRDXSTTYNLVGV-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000739088770 600192456 /nfs/dbraw/zinc/19/24/56/600192456.db2.gz WKJNINIPZREYBD-AWEZNQCLSA-N -1 0 344.392 2.525 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000737433104 600194591 /nfs/dbraw/zinc/19/45/91/600194591.db2.gz MTJDTKIUGGZJRV-UHFFFAOYSA-N -1 0 339.351 2.682 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000738539172 600194621 /nfs/dbraw/zinc/19/46/21/600194621.db2.gz COAHWVWIXQBXDL-UHFFFAOYSA-N -1 0 325.320 2.744 20 30 EFEDRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC000737331312 600195890 /nfs/dbraw/zinc/19/58/90/600195890.db2.gz HVDXOUWDAIMXRX-UHFFFAOYSA-N -1 0 339.351 2.884 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000739139457 600196471 /nfs/dbraw/zinc/19/64/71/600196471.db2.gz HFMLLPIIXMWLRJ-INIZCTEOSA-N -1 0 344.411 2.963 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000736096388 600234968 /nfs/dbraw/zinc/23/49/68/600234968.db2.gz MUOQUCWCCCLURQ-MRXNPFEDSA-N -1 0 346.408 2.517 20 30 EFEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000738425536 600254792 /nfs/dbraw/zinc/25/47/92/600254792.db2.gz NJIAQJDFVMFPHQ-UHFFFAOYSA-N -1 0 330.727 2.818 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736772893 600258478 /nfs/dbraw/zinc/25/84/78/600258478.db2.gz JLQPIEBHRSSVFB-BFUOFWGJSA-N -1 0 339.395 2.928 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000736849236 600262927 /nfs/dbraw/zinc/26/29/27/600262927.db2.gz QIJJTDTZMWRGIB-GOEBONIOSA-N -1 0 347.415 2.666 20 30 EFEDRM N#CCSc1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405347989 600271716 /nfs/dbraw/zinc/27/17/16/600271716.db2.gz WPYPEUZIDAHQOB-CYBMUJFWSA-N -1 0 330.409 2.629 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])nc1 ZINC000739088637 600332973 /nfs/dbraw/zinc/33/29/73/600332973.db2.gz UVZQAYKOHUSIPY-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM C[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000736641016 600336352 /nfs/dbraw/zinc/33/63/52/600336352.db2.gz BAYYJVIJLUPMPK-IUODEOHRSA-N -1 0 327.384 2.516 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736114296 600354978 /nfs/dbraw/zinc/35/49/78/600354978.db2.gz RORYYDLHLMCNFX-UHFFFAOYSA-N -1 0 340.379 2.949 20 30 EFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000736427277 600359611 /nfs/dbraw/zinc/35/96/11/600359611.db2.gz RRGOYYRBSNLXQC-SWLSCSKDSA-N -1 0 334.372 2.551 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000736614892 600359740 /nfs/dbraw/zinc/35/97/40/600359740.db2.gz LBFCSJIIHLXHHI-GFCCVEGCSA-N -1 0 325.320 2.881 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000739117300 600385811 /nfs/dbraw/zinc/38/58/11/600385811.db2.gz CQUBUSZMUVRTSZ-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-] ZINC000736715243 600390898 /nfs/dbraw/zinc/39/08/98/600390898.db2.gz AWRABPWQTGAEJH-NSHDSACASA-N -1 0 344.396 2.614 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCn1c2ccccc2c2ccccc21 ZINC000739077865 600400512 /nfs/dbraw/zinc/40/05/12/600400512.db2.gz VDKLTHHDUNZTBI-UHFFFAOYSA-N -1 0 335.363 2.621 20 30 EFEDRM CC(C)c1ccc(-c2nc(C(=O)N(CC#N)CC(=O)[O-])cs2)cc1 ZINC000736515953 600401321 /nfs/dbraw/zinc/40/13/21/600401321.db2.gz UYPKULKEJVNTHB-UHFFFAOYSA-N -1 0 343.408 2.984 20 30 EFEDRM Cc1cc2occ(CC(=O)N(CC#N)CC(=O)[O-])c2cc1C(C)C ZINC000738486930 600403349 /nfs/dbraw/zinc/40/33/49/600403349.db2.gz MPWKHTZQJOJTSF-UHFFFAOYSA-N -1 0 328.368 2.844 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cc(C)on1 ZINC000736115168 600404117 /nfs/dbraw/zinc/40/41/17/600404117.db2.gz WPCPLTGPDUZGBD-UHFFFAOYSA-N -1 0 331.324 2.566 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736116943 600404673 /nfs/dbraw/zinc/40/46/73/600404673.db2.gz GOKMNDQJECABKN-CSKARUKUSA-N -1 0 326.274 2.545 20 30 EFEDRM N#CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000739066561 600404812 /nfs/dbraw/zinc/40/48/12/600404812.db2.gz PCGAQBOAHDVDPF-UHFFFAOYSA-N -1 0 339.298 2.754 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CSc1cc(Cl)ccc1Cl ZINC000739079311 600410210 /nfs/dbraw/zinc/41/02/10/600410210.db2.gz VRADONXZBXSLTO-UHFFFAOYSA-N -1 0 333.196 2.522 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000736113962 600412994 /nfs/dbraw/zinc/41/29/94/600412994.db2.gz HZJBHWMAZIAOCP-UHFFFAOYSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000736118951 600419968 /nfs/dbraw/zinc/41/99/68/600419968.db2.gz ZKYQYNXZEDWOCU-GFCCVEGCSA-N -1 0 348.428 2.614 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN(CC)CCC(=O)[O-])c1=S ZINC000736117890 600423948 /nfs/dbraw/zinc/42/39/48/600423948.db2.gz OHABZUCVSPGMAC-UHFFFAOYSA-N -1 0 336.417 2.614 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)cc1OC ZINC000737951582 600494669 /nfs/dbraw/zinc/49/46/69/600494669.db2.gz WUFZMSMMKJIZHU-GJUHEBOISA-N -1 0 345.351 2.750 20 30 EFEDRM O=C([O-])Cn1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cn1 ZINC000739912307 600527790 /nfs/dbraw/zinc/52/77/90/600527790.db2.gz SRJOUTCVKHHMJD-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736486380 600541677 /nfs/dbraw/zinc/54/16/77/600541677.db2.gz RVPGXRGOQHOMES-UHFFFAOYSA-N -1 0 343.339 2.958 20 30 EFEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737062713 600552659 /nfs/dbraw/zinc/55/26/59/600552659.db2.gz VAKGLCXBZMSQDO-LLVKDONJSA-N -1 0 348.380 2.621 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)NCCC(=O)[O-])cc2)c1 ZINC000739139580 600552977 /nfs/dbraw/zinc/55/29/77/600552977.db2.gz IGFXCACPTMKVSH-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM Cc1ccccc1N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738777404 600563120 /nfs/dbraw/zinc/56/31/20/600563120.db2.gz GKJOIOSPAGBRHB-LJQANCHMSA-N -1 0 335.407 2.815 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000739103450 600567647 /nfs/dbraw/zinc/56/76/47/600567647.db2.gz AYSYPXAFTFUZJX-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000739103590 600567727 /nfs/dbraw/zinc/56/77/27/600567727.db2.gz CAAPKRUJAMZSFR-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC000738429938 600569002 /nfs/dbraw/zinc/56/90/02/600569002.db2.gz DDYPECLURVBCSY-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM CC(C)c1nc2c(n1C)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736524103 600569785 /nfs/dbraw/zinc/56/97/85/600569785.db2.gz ISIIRJNXMQVKEH-QGZVFWFLSA-N -1 0 338.411 2.599 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cn1 ZINC000739101129 600570086 /nfs/dbraw/zinc/57/00/86/600570086.db2.gz BKLKHGWFIVYRTM-UHFFFAOYSA-N -1 0 336.351 2.504 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cn1 ZINC000739107656 600572704 /nfs/dbraw/zinc/57/27/04/600572704.db2.gz YRAOFIVALNKQKY-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736699911 600590224 /nfs/dbraw/zinc/59/02/24/600590224.db2.gz GWTRRQPVCSNCDB-SUMWQHHRSA-N -1 0 338.363 2.610 20 30 EFEDRM COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1NC(C)=O ZINC000738041161 600592444 /nfs/dbraw/zinc/59/24/44/600592444.db2.gz XQETUDKTIKIBHR-KRWDZBQOSA-N -1 0 339.351 2.763 20 30 EFEDRM CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1CO ZINC000737202415 600595538 /nfs/dbraw/zinc/59/55/38/600595538.db2.gz FIOBNZIDMPYBQV-QGZVFWFLSA-N -1 0 326.352 2.687 20 30 EFEDRM C[C@H](CSCCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000736612739 600595828 /nfs/dbraw/zinc/59/58/28/600595828.db2.gz CTAYUBQUBQBFMD-SECBINFHSA-N -1 0 338.454 2.891 20 30 EFEDRM N#Cc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739105226 600596013 /nfs/dbraw/zinc/59/60/13/600596013.db2.gz FKCXMJMRFCAYEB-MRXNPFEDSA-N -1 0 343.770 2.566 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)cc2O)C(=O)[O-])cc1 ZINC000739115618 600604438 /nfs/dbraw/zinc/60/44/38/600604438.db2.gz UHWCTVRSIDGEKT-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM COc1cccc(OC)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738109977 600604806 /nfs/dbraw/zinc/60/48/06/600604806.db2.gz XSYYUYHFVKQJDM-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702942 600607523 /nfs/dbraw/zinc/60/75/23/600607523.db2.gz HNJOIVJYWJVLSQ-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM CCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737210856 600613337 /nfs/dbraw/zinc/61/33/37/600613337.db2.gz MCMTWAKFJJHQHH-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM N#Cc1ccc(OCc2cccc(C(=O)NCCCC(=O)[O-])c2)cc1 ZINC000738431018 600613697 /nfs/dbraw/zinc/61/36/97/600613697.db2.gz OSUOEVMVIZAUOL-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCOCc2ccccc2)C(=O)[O-])cc1 ZINC000739111374 600614236 /nfs/dbraw/zinc/61/42/36/600614236.db2.gz VIBKGRUPLVRCHS-GOSISDBHSA-N -1 0 339.347 2.834 20 30 EFEDRM Cc1ccc(F)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1N ZINC000738605041 600614696 /nfs/dbraw/zinc/61/46/96/600614696.db2.gz YTMYPINXVWMBHG-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2csc(C3CC3)n2)C(=O)[O-])cc1 ZINC000739118569 600615093 /nfs/dbraw/zinc/61/50/93/600615093.db2.gz TVTMAWIGPBEHRV-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000739101114 600616575 /nfs/dbraw/zinc/61/65/75/600616575.db2.gz ASXOALFKYZABBY-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCOc3ccccc32)C(=O)[O-])cc1 ZINC000739110523 600616842 /nfs/dbraw/zinc/61/68/42/600616842.db2.gz QWLQDBIEBVBFNR-RDJZCZTQSA-N -1 0 337.331 2.793 20 30 EFEDRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736781894 600617701 /nfs/dbraw/zinc/61/77/01/600617701.db2.gz SWQRZXALBHHKSV-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccncc1 ZINC000736096351 600621305 /nfs/dbraw/zinc/62/13/05/600621305.db2.gz LOBGYLDGIKDRCF-INIZCTEOSA-N -1 0 326.352 2.592 20 30 EFEDRM N#C[C@@H](NC(=O)CCSCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000739075594 600632049 /nfs/dbraw/zinc/63/20/49/600632049.db2.gz UAUGARBHRZZZGY-SNVBAGLBSA-N -1 0 347.223 2.882 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccncc1 ZINC000736096540 600637806 /nfs/dbraw/zinc/63/78/06/600637806.db2.gz PJDWVIHBNPDYSX-HNNXBMFYSA-N -1 0 346.408 2.684 20 30 EFEDRM N#CC1(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000739066451 600641546 /nfs/dbraw/zinc/64/15/46/600641546.db2.gz MMIVMIRDKLOTAW-MRXNPFEDSA-N -1 0 336.391 2.893 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736706831 600676624 /nfs/dbraw/zinc/67/66/24/600676624.db2.gz JJAAALYWVAGVBR-LBPRGKRZSA-N -1 0 325.320 2.558 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736706830 600676667 /nfs/dbraw/zinc/67/66/67/600676667.db2.gz JJAAALYWVAGVBR-GFCCVEGCSA-N -1 0 325.320 2.558 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000825631640 600691983 /nfs/dbraw/zinc/69/19/83/600691983.db2.gz HHGMHJSMAIGHOI-INIZCTEOSA-N -1 0 328.295 2.820 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738320509 600693515 /nfs/dbraw/zinc/69/35/15/600693515.db2.gz UBEXRJCWBARZLE-UHFFFAOYSA-N -1 0 331.353 2.757 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c([O-])c1 ZINC000821770923 607459503 /nfs/dbraw/zinc/45/95/03/607459503.db2.gz ZXBUZXIVFYAVHH-DAXSKMNVSA-N -1 0 340.314 2.616 20 30 EFEDRM CCn1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC000830440894 600705047 /nfs/dbraw/zinc/70/50/47/600705047.db2.gz KPQUULDBYJZCKA-ZDUSSCGKSA-N -1 0 347.758 2.719 20 30 EFEDRM N#Cc1nnc2ccccc2c1NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739145438 600708617 /nfs/dbraw/zinc/70/86/17/600708617.db2.gz NLWHZWLLGBETHV-ZDUSSCGKSA-N -1 0 348.362 2.562 20 30 EFEDRM COc1cc(C#N)ccc1OCCOc1ccc(CC(=O)[O-])cc1 ZINC000737845134 600709742 /nfs/dbraw/zinc/70/97/42/600709742.db2.gz ZNJGQTOXUFMNRD-UHFFFAOYSA-N -1 0 327.336 2.652 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000833072668 600719781 /nfs/dbraw/zinc/71/97/81/600719781.db2.gz OTFWLTUQBGPNCB-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM C/C(=C\Cn1cc(C#N)c(=O)c2cc(Br)ccc21)C(=O)[O-] ZINC000825793154 600728497 /nfs/dbraw/zinc/72/84/97/600728497.db2.gz NOFIEWCHUNSMHM-RUDMXATFSA-N -1 0 347.168 2.667 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000833077136 600733924 /nfs/dbraw/zinc/73/39/24/600733924.db2.gz ZXZAZRFZIBVIIO-UHFFFAOYSA-N -1 0 342.307 2.590 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccncc1F ZINC000736114771 600766849 /nfs/dbraw/zinc/76/68/49/600766849.db2.gz RDWMEOONXOBGBI-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832859743 600777622 /nfs/dbraw/zinc/77/76/22/600777622.db2.gz VLKXRNLWFSXJAO-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM NC(=NOCCOc1ccc(C(=O)[O-])cc1Cl)c1cccs1 ZINC000833078228 600802138 /nfs/dbraw/zinc/80/21/38/600802138.db2.gz LBYNPHCXFDBRPG-UHFFFAOYSA-N -1 0 340.788 2.816 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736077134 600835222 /nfs/dbraw/zinc/83/52/22/600835222.db2.gz YNLCYBKWFAHXJE-KRWDZBQOSA-N -1 0 341.338 2.784 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000736089716 600836485 /nfs/dbraw/zinc/83/64/85/600836485.db2.gz OYWANGUFVANVFZ-UHFFFAOYSA-N -1 0 339.347 2.804 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736075773 600837420 /nfs/dbraw/zinc/83/74/20/600837420.db2.gz HFIDJYVPOAYAKP-INIZCTEOSA-N -1 0 345.301 2.533 20 30 EFEDRM C=C(Cl)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737527071 600855451 /nfs/dbraw/zinc/85/54/51/600855451.db2.gz VOGNAIOIHUODCZ-UHFFFAOYSA-N -1 0 344.820 2.551 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825716816 600891076 /nfs/dbraw/zinc/89/10/76/600891076.db2.gz OYYUOVMWJIOZNK-JXMROGBWSA-N -1 0 326.274 2.545 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825681932 600914229 /nfs/dbraw/zinc/91/42/29/600914229.db2.gz MQXSIOMYXFHRQL-DLBZAZTESA-N -1 0 326.396 2.964 20 30 EFEDRM CC(C)C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000362773472 600920219 /nfs/dbraw/zinc/92/02/19/600920219.db2.gz MIDMKCCQRUWWJX-OAHLLOKOSA-N -1 0 334.441 2.655 20 30 EFEDRM Cc1nc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)sc1SCC#N ZINC000833004281 600920752 /nfs/dbraw/zinc/92/07/52/600920752.db2.gz UGAGPKACKNSISJ-VHSXEESVSA-N -1 0 339.442 2.897 20 30 EFEDRM Cc1nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)sc1SCC#N ZINC000833004282 600920776 /nfs/dbraw/zinc/92/07/76/600920776.db2.gz UGAGPKACKNSISJ-ZJUUUORDSA-N -1 0 339.442 2.897 20 30 EFEDRM CC(C)n1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1N(C)C ZINC000736532213 600937054 /nfs/dbraw/zinc/93/70/54/600937054.db2.gz CCYZYIVGNBHPLT-ZDUSSCGKSA-N -1 0 345.428 2.715 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000828586822 600952730 /nfs/dbraw/zinc/95/27/30/600952730.db2.gz KBLOMGJYZGURNK-OWCLPIDISA-N -1 0 344.411 2.875 20 30 EFEDRM C[C@H](Sc1ccc(C#N)cc1F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736711698 600986151 /nfs/dbraw/zinc/98/61/51/600986151.db2.gz FVCUIDMHKNUMQS-JTQLQIEISA-N -1 0 336.388 2.501 20 30 EFEDRM N#CCN(CC(=O)[O-])Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000833067863 601005313 /nfs/dbraw/zinc/00/53/13/601005313.db2.gz ZFQSVLDOYYAKIF-UHFFFAOYSA-N -1 0 345.786 2.724 20 30 EFEDRM N#Cc1ccc(CCC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000739116668 601035452 /nfs/dbraw/zinc/03/54/52/601035452.db2.gz BSSOATRPXWCZDZ-UHFFFAOYSA-N -1 0 341.392 2.841 20 30 EFEDRM C#CCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825631366 601047180 /nfs/dbraw/zinc/04/71/80/601047180.db2.gz BYZPKFMGFAEJON-KRWDZBQOSA-N -1 0 338.363 2.689 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cn1 ZINC000825636343 601076921 /nfs/dbraw/zinc/07/69/21/601076921.db2.gz IBNGZRKNFPNTDK-UHFFFAOYSA-N -1 0 329.381 2.767 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cn1 ZINC000825636960 601091783 /nfs/dbraw/zinc/09/17/83/601091783.db2.gz XXKDKXWTMLNZCF-NVXWUHKLSA-N -1 0 326.396 2.559 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000826045596 601165972 /nfs/dbraw/zinc/16/59/72/601165972.db2.gz USEUTPVHLZYVBA-GUYCJALGSA-N -1 0 338.363 2.781 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000826031202 601168461 /nfs/dbraw/zinc/16/84/61/601168461.db2.gz HZFCMZGVAUCSDD-UGSOOPFHSA-N -1 0 338.363 2.515 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833070751 601188237 /nfs/dbraw/zinc/18/82/37/601188237.db2.gz AXKZDLSHLJXKRS-CABCVRRESA-N -1 0 331.368 2.761 20 30 EFEDRM COc1cccc(C#CCOC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000832514124 601206915 /nfs/dbraw/zinc/20/69/15/601206915.db2.gz AMDGKKSNIZJNKF-UHFFFAOYSA-N -1 0 325.320 2.994 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000825636466 601221168 /nfs/dbraw/zinc/22/11/68/601221168.db2.gz KTWDZRRUOCZZFE-UHFFFAOYSA-N -1 0 347.392 2.871 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064592 601236948 /nfs/dbraw/zinc/23/69/48/601236948.db2.gz SSAGJKZMNGOKBV-TUAOUCFPSA-N -1 0 348.786 2.878 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064594 601237002 /nfs/dbraw/zinc/23/70/02/601237002.db2.gz SSAGJKZMNGOKBV-WOPDTQHZSA-N -1 0 348.786 2.878 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000827525749 601239884 /nfs/dbraw/zinc/23/98/84/601239884.db2.gz YMSBHGNZKWFLFK-BPLDGKMQSA-N -1 0 331.368 2.760 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000827525752 601239975 /nfs/dbraw/zinc/23/99/75/601239975.db2.gz YMSBHGNZKWFLFK-YUELXQCFSA-N -1 0 331.368 2.760 20 30 EFEDRM C#CCN(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825614387 601243582 /nfs/dbraw/zinc/24/35/82/601243582.db2.gz MYLJOBYQEYOGOW-UHFFFAOYSA-N -1 0 343.152 2.773 20 30 EFEDRM COC(=O)c1cc(Oc2ccc(Cl)c(C#N)n2)cc(C(=O)[O-])c1 ZINC000831331216 601245840 /nfs/dbraw/zinc/24/58/40/601245840.db2.gz CJZWXDYOEIHDOS-UHFFFAOYSA-N -1 0 332.699 2.884 20 30 EFEDRM COC(=O)c1cc(NCc2cc(C#N)ccc2F)cc(C(=O)[O-])c1 ZINC000831323305 601246966 /nfs/dbraw/zinc/24/69/66/601246966.db2.gz WJIJUSUDLRBALU-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000832916839 601262976 /nfs/dbraw/zinc/26/29/76/601262976.db2.gz ZJZWCGZFIZSIHM-MRXNPFEDSA-N -1 0 335.363 2.782 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000827454786 601281809 /nfs/dbraw/zinc/28/18/09/601281809.db2.gz DYWIXHQAGHLLMB-LBPRGKRZSA-N -1 0 328.393 2.983 20 30 EFEDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C#Cc1ccccc1 ZINC000833233402 601284825 /nfs/dbraw/zinc/28/48/25/601284825.db2.gz XMFZJBZJWIWMEM-UHFFFAOYSA-N -1 0 343.329 2.820 20 30 EFEDRM CCC1CCC(NC(=O)CNc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC000829089603 601294995 /nfs/dbraw/zinc/29/49/95/601294995.db2.gz HROGGQZPNFHLRE-UHFFFAOYSA-N -1 0 329.400 2.510 20 30 EFEDRM COc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000832025839 601297584 /nfs/dbraw/zinc/29/75/84/601297584.db2.gz FHFVPDXKAWHOQD-MRXNPFEDSA-N -1 0 342.351 2.822 20 30 EFEDRM C[C@H]1Oc2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2NC1=O ZINC000828520740 601298252 /nfs/dbraw/zinc/29/82/52/601298252.db2.gz AESLBXRDCTWEIW-HWPZZCPQSA-N -1 0 337.335 2.515 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc(CN3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833074579 601299428 /nfs/dbraw/zinc/29/94/28/601299428.db2.gz BBBXFGYGOCEBRL-IBGZPJMESA-N -1 0 349.390 2.918 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc(N3CCOC3=O)c2)C(=O)[O-])c1 ZINC000833076133 601299906 /nfs/dbraw/zinc/29/99/06/601299906.db2.gz QOJRIGQZRAYMHF-INIZCTEOSA-N -1 0 337.335 2.753 20 30 EFEDRM COC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831210561 601302036 /nfs/dbraw/zinc/30/20/36/601302036.db2.gz RSSFETWYCREKIS-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000831779565 601302216 /nfs/dbraw/zinc/30/22/16/601302216.db2.gz PLPYBLDISXOCQX-QGZVFWFLSA-N -1 0 344.342 2.960 20 30 EFEDRM Cc1ccccc1N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832978509 601309265 /nfs/dbraw/zinc/30/92/65/601309265.db2.gz IPOFODZKFWNSFS-LJQANCHMSA-N -1 0 335.407 2.815 20 30 EFEDRM COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000831083735 601310441 /nfs/dbraw/zinc/31/04/41/601310441.db2.gz BRKWQPUMRVUGMS-MRXNPFEDSA-N -1 0 342.351 2.504 20 30 EFEDRM Cc1csc([C@@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CCO2)n1 ZINC000832988967 601314064 /nfs/dbraw/zinc/31/40/64/601314064.db2.gz CEIAOIVYEVFWHI-GJZGRUSLSA-N -1 0 343.408 2.522 20 30 EFEDRM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CC2 ZINC000829869979 601330727 /nfs/dbraw/zinc/33/07/27/601330727.db2.gz ZCKZPTOCZQAPJY-NTMALXAHSA-N -1 0 342.351 2.739 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894880 601343804 /nfs/dbraw/zinc/34/38/04/601343804.db2.gz BTRLZAAQRVIBGR-LRDDRELGSA-N -1 0 325.320 2.695 20 30 EFEDRM CCc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830259672 601344135 /nfs/dbraw/zinc/34/41/35/601344135.db2.gz BQVNCSGPOIHXOD-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832951775 601344374 /nfs/dbraw/zinc/34/43/74/601344374.db2.gz WOLAMDWXXSNIGG-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000832867944 601344941 /nfs/dbraw/zinc/34/49/41/601344941.db2.gz GWUSFGHQHVVJTL-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM COc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832608692 601344969 /nfs/dbraw/zinc/34/49/69/601344969.db2.gz VSRUBXXRUVFTGS-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830064931 601344978 /nfs/dbraw/zinc/34/49/78/601344978.db2.gz YSFPGTAJIBZALE-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832979583 601345352 /nfs/dbraw/zinc/34/53/52/601345352.db2.gz ROSWJXXDYXRLCE-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000825946929 601345610 /nfs/dbraw/zinc/34/56/10/601345610.db2.gz XLFHLGVLJAJVRB-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831949749 601345817 /nfs/dbraw/zinc/34/58/17/601345817.db2.gz DRDLTBJXAWBHNZ-MRXNPFEDSA-N -1 0 325.320 2.858 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832213005 601345830 /nfs/dbraw/zinc/34/58/30/601345830.db2.gz MFFSJSSRSHXRSS-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM Cc1ccc(C)c(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832926611 601347434 /nfs/dbraw/zinc/34/74/34/601347434.db2.gz VXCASHIQKLONND-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM CC(=O)c1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825946894 601348939 /nfs/dbraw/zinc/34/89/39/601348939.db2.gz WEFFGKZHUMIHOX-SFHVURJKSA-N -1 0 337.331 2.672 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)n1 ZINC000832918039 601349538 /nfs/dbraw/zinc/34/95/38/601349538.db2.gz FREYYRNEMDDBIF-ZDUSSCGKSA-N -1 0 330.727 2.898 20 30 EFEDRM CCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830100142 601349941 /nfs/dbraw/zinc/34/99/41/601349941.db2.gz WXAWKZLACGCVIQ-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM CCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830100140 601350015 /nfs/dbraw/zinc/35/00/15/601350015.db2.gz WXAWKZLACGCVIQ-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(O)c1C ZINC000832918454 601350320 /nfs/dbraw/zinc/35/03/20/601350320.db2.gz KKHLFAVLJOCRQM-INIZCTEOSA-N -1 0 325.320 2.863 20 30 EFEDRM CN(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000830636145 601351006 /nfs/dbraw/zinc/35/10/06/601351006.db2.gz WASYITAYPQPYOC-INIZCTEOSA-N -1 0 342.326 2.746 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc([N+](=O)[O-])c1 ZINC000832868821 601351087 /nfs/dbraw/zinc/35/10/87/601351087.db2.gz VAFFHJZXIUXYSB-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc([N+](=O)[O-])c1 ZINC000832868820 601351280 /nfs/dbraw/zinc/35/12/80/601351280.db2.gz VAFFHJZXIUXYSB-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(O)cccc2Cl)C(=O)[O-])c1 ZINC000833077314 601351400 /nfs/dbraw/zinc/35/14/00/601351400.db2.gz PDXBALQPOLIJPX-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])c1 ZINC000833077603 601351548 /nfs/dbraw/zinc/35/15/48/601351548.db2.gz XHVFFAIFEJKQGQ-CQSZACIVSA-N -1 0 333.246 2.525 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832905465 601352078 /nfs/dbraw/zinc/35/20/78/601352078.db2.gz NKSVIUDDNGUPMQ-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3ncon3)cc2)C(=O)[O-])c1 ZINC000833077321 601353043 /nfs/dbraw/zinc/35/30/43/601353043.db2.gz PIXVEFVQGNBDJL-OAHLLOKOSA-N -1 0 349.302 2.591 20 30 EFEDRM NC(=NOCc1ccc(C(=O)[O-])cc1)c1ccc(Br)o1 ZINC000833078466 601353541 /nfs/dbraw/zinc/35/35/41/601353541.db2.gz NEXFJXGPBSWDAN-UHFFFAOYSA-N -1 0 339.145 2.577 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825631691 601354485 /nfs/dbraw/zinc/35/44/85/601354485.db2.gz JFPPWEGIXIPGEY-KRWDZBQOSA-N -1 0 335.315 2.553 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(F)cc(F)cc2F)C(=O)[O-])c1 ZINC000833077211 601355215 /nfs/dbraw/zinc/35/52/15/601355215.db2.gz NHDHCFIPDMVHKX-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825614770 601424570 /nfs/dbraw/zinc/42/45/70/601424570.db2.gz XMKSYQKVCYZTDQ-UHFFFAOYSA-N -1 0 332.375 2.616 20 30 EFEDRM C=CC1CCN(C(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC000825659762 601492184 /nfs/dbraw/zinc/49/21/84/601492184.db2.gz DCMXCWMRUYCVFY-UHFFFAOYSA-N -1 0 348.424 2.687 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(C#N)cs1 ZINC000830007015 601548621 /nfs/dbraw/zinc/54/86/21/601548621.db2.gz IEVKYLCKRJUSJF-UHFFFAOYSA-N -1 0 348.380 2.590 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(N)c(F)ccc2Cl)C(=O)[O-])c1 ZINC000833077092 601567498 /nfs/dbraw/zinc/56/74/98/601567498.db2.gz LCEKRUVEXFKCPY-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000825671478 601579731 /nfs/dbraw/zinc/57/97/31/601579731.db2.gz QGPRHSKXQVNRDN-UHFFFAOYSA-N -1 0 346.836 2.800 20 30 EFEDRM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)[O-] ZINC000827492509 601618963 /nfs/dbraw/zinc/61/89/63/601618963.db2.gz BJUSGEUHCBMAOB-LLVKDONJSA-N -1 0 340.339 2.588 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825636575 601619686 /nfs/dbraw/zinc/61/96/86/601619686.db2.gz NHGZEGRSPUPUKW-UHFFFAOYSA-N -1 0 340.354 2.576 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC000825636743 601619894 /nfs/dbraw/zinc/61/98/94/601619894.db2.gz SAQDWXBXZAFLFD-HNNXBMFYSA-N -1 0 328.755 2.662 20 30 EFEDRM C[C@H](CC#N)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000828311541 601632574 /nfs/dbraw/zinc/63/25/74/601632574.db2.gz ZJKQCCRPIDLILC-WDEREUQCSA-N -1 0 349.456 2.744 20 30 EFEDRM C[C@@H](CC#N)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000828311539 601632577 /nfs/dbraw/zinc/63/25/77/601632577.db2.gz ZJKQCCRPIDLILC-MNOVXSKESA-N -1 0 349.456 2.744 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CON=C1CCC2(CC1)OCCO2 ZINC000833030732 601633196 /nfs/dbraw/zinc/63/31/96/601633196.db2.gz AWZGIPXRFSRCQV-UHFFFAOYSA-N -1 0 325.386 2.944 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000832902389 601670031 /nfs/dbraw/zinc/67/00/31/601670031.db2.gz STZKQQPVFFMBPP-UHFFFAOYSA-N -1 0 346.289 2.861 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000833069281 601672248 /nfs/dbraw/zinc/67/22/48/601672248.db2.gz ZNHLLSPJWDYVJQ-AWEZNQCLSA-N -1 0 348.280 2.921 20 30 EFEDRM CC[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000828976649 601677641 /nfs/dbraw/zinc/67/76/41/601677641.db2.gz ZCZDUBOCPOVJAN-KRWDZBQOSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1cc(C(=O)NC2(C#N)CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832862464 601679505 /nfs/dbraw/zinc/67/95/05/601679505.db2.gz AUIXLEDGIDBLLZ-UHFFFAOYSA-N -1 0 330.384 2.723 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1ccc(C#N)cc1 ZINC000833031440 601703645 /nfs/dbraw/zinc/70/36/45/601703645.db2.gz KXHDVFTWENVKKN-UHFFFAOYSA-N -1 0 331.349 2.749 20 30 EFEDRM N#Cc1ccc(OCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833072116 601703667 /nfs/dbraw/zinc/70/36/67/601703667.db2.gz VRQIJQQNQTYWST-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000832863474 601704071 /nfs/dbraw/zinc/70/40/71/601704071.db2.gz JLQIUEPRMRKBQS-QGZVFWFLSA-N -1 0 337.379 2.559 20 30 EFEDRM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000776645453 601716340 /nfs/dbraw/zinc/71/63/40/601716340.db2.gz KJLXZSOCNIBJOZ-FQEVSTJZSA-N -1 0 337.350 2.725 20 30 EFEDRM C=C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825653973 601758198 /nfs/dbraw/zinc/75/81/98/601758198.db2.gz YCAJRMNZYXYURD-LURJTMIESA-N -1 0 331.141 2.982 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825966640 601758315 /nfs/dbraw/zinc/75/83/15/601758315.db2.gz ISMUEWXAOZEYFJ-ZCFIWIBFSA-N -1 0 344.140 2.568 20 30 EFEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1C(=O)[O-] ZINC000828377053 601792947 /nfs/dbraw/zinc/79/29/47/601792947.db2.gz GBPPZWMSQHLVGG-KBXCAEBGSA-N -1 0 349.390 2.666 20 30 EFEDRM Cc1c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000832848652 601793189 /nfs/dbraw/zinc/79/31/89/601793189.db2.gz JXTPSCZFXVILAF-FARCUNLSSA-N -1 0 340.314 2.637 20 30 EFEDRM Cc1c(Cl)cccc1NC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814721295 601795965 /nfs/dbraw/zinc/79/59/65/601795965.db2.gz BUWXHBHFIIIHHG-UHFFFAOYSA-N -1 0 336.804 2.995 20 30 EFEDRM O=C([O-])c1cc(C=NN2C(=S)N=NC2c2ccccc2Cl)c[nH]1 ZINC000814731618 601796071 /nfs/dbraw/zinc/79/60/71/601796071.db2.gz WYDCWPJOUQDOCV-UHFFFAOYSA-N -1 0 347.787 2.796 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccsc3C(=O)[O-])CC2)c(F)c1 ZINC000833073086 601821737 /nfs/dbraw/zinc/82/17/37/601821737.db2.gz GOBOGAXEZXSURI-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829643252 601829085 /nfs/dbraw/zinc/82/90/85/601829085.db2.gz YAPWSEGXAQUALQ-CYBMUJFWSA-N -1 0 347.415 2.592 20 30 EFEDRM Cc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832882292 601829448 /nfs/dbraw/zinc/82/94/48/601829448.db2.gz CENDTRGVGALFHA-QGZVFWFLSA-N -1 0 339.395 2.669 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000833068114 601909452 /nfs/dbraw/zinc/90/94/52/601909452.db2.gz PTBOARLJZNIGEM-SJORKVTESA-N -1 0 344.411 2.671 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833075566 601948846 /nfs/dbraw/zinc/94/88/46/601948846.db2.gz SYNUVELNBPYKJJ-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833065210 601958423 /nfs/dbraw/zinc/95/84/23/601958423.db2.gz VJDROSNIZGROEI-INIZCTEOSA-N -1 0 341.436 2.829 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000738431012 601965856 /nfs/dbraw/zinc/96/58/56/601965856.db2.gz OHALXHIJZMCCAQ-UHFFFAOYSA-N -1 0 343.770 2.889 20 30 EFEDRM CC(C)Oc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000827038480 601982580 /nfs/dbraw/zinc/98/25/80/601982580.db2.gz NVKYWWSABRCRGK-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000825671301 601982983 /nfs/dbraw/zinc/98/29/83/601982983.db2.gz LEKCERYJFSIZRB-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827880232 601999169 /nfs/dbraw/zinc/99/91/69/601999169.db2.gz ZYCHNZMJUGFALB-SNVBAGLBSA-N -1 0 331.349 2.829 20 30 EFEDRM C#CCSCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825632237 602015070 /nfs/dbraw/zinc/01/50/70/602015070.db2.gz WNEHWABKLMYGIZ-UHFFFAOYSA-N -1 0 346.330 2.892 20 30 EFEDRM C[C@H](Oc1ccc(C=NN2C(=S)N=NC2C(C)(C)C)cc1)C(=O)[O-] ZINC000794870201 602068308 /nfs/dbraw/zinc/06/83/08/602068308.db2.gz IDGMOHWEXPGOKG-JTQLQIEISA-N -1 0 348.428 2.598 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNc2ccnc3ccccc32)cc1)C(=O)[O-] ZINC000794908671 602074579 /nfs/dbraw/zinc/07/45/79/602074579.db2.gz ILGYANWTOWORGV-CYBMUJFWSA-N -1 0 335.363 2.955 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)n1 ZINC000794911340 602075701 /nfs/dbraw/zinc/07/57/01/602075701.db2.gz CAWIKTMMDSNLSL-SECBINFHSA-N -1 0 334.763 2.736 20 30 EFEDRM COc1ccc(CCNN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794910185 602075776 /nfs/dbraw/zinc/07/57/76/602075776.db2.gz XPEXZFQUYHPHGY-CQSZACIVSA-N -1 0 342.395 2.713 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000827311711 602093081 /nfs/dbraw/zinc/09/30/81/602093081.db2.gz WDIXSDBZGGFTJU-LLVKDONJSA-N -1 0 325.324 2.795 20 30 EFEDRM N#CCOc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738425302 602099928 /nfs/dbraw/zinc/09/99/28/602099928.db2.gz FGJZXWZJBWSISS-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1cc(CC#N)ccn1)C(=O)[O-] ZINC000827914706 602107585 /nfs/dbraw/zinc/10/75/85/602107585.db2.gz CYIFBRSDIKMEBE-NSHDSACASA-N -1 0 341.392 2.965 20 30 EFEDRM CCc1nnc(NCc2cccc(OCC(=O)[O-])c2)c(C#N)c1CC ZINC000830334774 602123736 /nfs/dbraw/zinc/12/37/36/602123736.db2.gz CDCPHSCZGGGJLN-UHFFFAOYSA-N -1 0 340.383 2.549 20 30 EFEDRM Cc1cccc(C[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832970046 602130542 /nfs/dbraw/zinc/13/05/42/602130542.db2.gz SRTDDJYABNINML-AWEZNQCLSA-N -1 0 340.339 2.525 20 30 EFEDRM O=C([O-])c1cc(F)ccc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000833298730 602159530 /nfs/dbraw/zinc/15/95/30/602159530.db2.gz CSFZWEQMTRTEOH-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM C#CCOc1ccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000825632075 602171067 /nfs/dbraw/zinc/17/10/67/602171067.db2.gz RXSJRQGETKSSRR-SFHVURJKSA-N -1 0 341.363 2.954 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000827241009 602182190 /nfs/dbraw/zinc/18/21/90/602182190.db2.gz QXNISIPCPVCZLJ-IONNQARKSA-N -1 0 343.166 2.752 20 30 EFEDRM C=CCOc1ccc(-c2nn(CN(CC)CC(=O)[O-])c(=S)o2)cc1 ZINC000825698391 602191946 /nfs/dbraw/zinc/19/19/46/602191946.db2.gz HQXLOGWCOSCAEJ-UHFFFAOYSA-N -1 0 349.412 2.801 20 30 EFEDRM CN(CCC#N)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830722465 602230958 /nfs/dbraw/zinc/23/09/58/602230958.db2.gz CUAKFMOJHVHBLJ-UHFFFAOYSA-N -1 0 327.340 2.681 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1S[C@@H](CC)C(=O)[O-] ZINC000825711268 602238718 /nfs/dbraw/zinc/23/87/18/602238718.db2.gz WWAHJWWNQBVOOH-ZDUSSCGKSA-N -1 0 333.413 2.998 20 30 EFEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CCNC(=O)[O-])c1 ZINC000736091508 602265291 /nfs/dbraw/zinc/26/52/91/602265291.db2.gz XJGCYYROCYVYNU-UHFFFAOYSA-N -1 0 328.393 2.920 20 30 EFEDRM C=CCC(CC=C)C(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825665375 602283450 /nfs/dbraw/zinc/28/34/50/602283450.db2.gz ZICQNKMOXSHYSW-ZDUSSCGKSA-N -1 0 349.408 2.863 20 30 EFEDRM N#CCCN(C(=O)CNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833065574 602302717 /nfs/dbraw/zinc/30/27/17/602302717.db2.gz HFNYMHQRQLZDNQ-UHFFFAOYSA-N -1 0 341.342 2.883 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3ncccc3[N+](=O)[O-])c2c1 ZINC000833325496 602313066 /nfs/dbraw/zinc/31/30/66/602313066.db2.gz PWZDKPQYOAGPNA-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM CN(C(=O)CSCc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000830490346 602331580 /nfs/dbraw/zinc/33/15/80/602331580.db2.gz OEXXKHRENYSOEE-UHFFFAOYSA-N -1 0 347.421 2.609 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000825647577 602365299 /nfs/dbraw/zinc/36/52/99/602365299.db2.gz PTZLSRGVYANACW-UHFFFAOYSA-N -1 0 344.314 2.700 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738203260 603125322 /nfs/dbraw/zinc/12/53/22/603125322.db2.gz KKGRHMBDFSPXSO-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736094727 603286377 /nfs/dbraw/zinc/28/63/77/603286377.db2.gz UBMVNTYEHROXRH-CQSZACIVSA-N -1 0 333.388 2.905 20 30 EFEDRM C=C(Br)CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736095047 604158552 /nfs/dbraw/zinc/15/85/52/604158552.db2.gz GTIAFAKRHKEJDB-UHFFFAOYSA-N -1 0 342.193 2.527 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000831114340 604254256 /nfs/dbraw/zinc/25/42/56/604254256.db2.gz LBASHWNZGVIOMN-UHFFFAOYSA-N -1 0 345.305 2.899 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)[O-] ZINC000826768440 604293590 /nfs/dbraw/zinc/29/35/90/604293590.db2.gz KEPCYLMKDDXCHL-AWEZNQCLSA-N -1 0 332.400 2.579 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819948170 604311313 /nfs/dbraw/zinc/31/13/13/604311313.db2.gz DKMLCRAKIHFOEZ-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM CN(C(=O)[O-])c1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000830519274 604367973 /nfs/dbraw/zinc/36/79/73/604367973.db2.gz OXDMKCMEVZYYSN-UHFFFAOYSA-N -1 0 330.731 2.973 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000826044413 604368912 /nfs/dbraw/zinc/36/89/12/604368912.db2.gz GKUKVZJFXJTZEI-YGRLFVJLSA-N -1 0 343.770 2.798 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000826642172 604410142 /nfs/dbraw/zinc/41/01/42/604410142.db2.gz QXZATLCWPMGJCF-UHFFFAOYSA-N -1 0 339.347 2.948 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cnc(NC3CC3)s2)C(=O)[O-])cc1 ZINC000833072543 604433874 /nfs/dbraw/zinc/43/38/74/604433874.db2.gz NYVMCUVSUIAJIQ-CYBMUJFWSA-N -1 0 343.364 2.572 20 30 EFEDRM C=CC1CCN(c2ncnc(N3CCC(C=C)CC3)c2C(=O)[O-])CC1 ZINC000825659731 604459445 /nfs/dbraw/zinc/45/94/45/604459445.db2.gz BQXQAYHIXAZNAU-UHFFFAOYSA-N -1 0 342.443 2.980 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000824550002 604468589 /nfs/dbraw/zinc/46/85/89/604468589.db2.gz DHZUXEJHKBLCBR-JTQLQIEISA-N -1 0 334.401 2.565 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000833073500 604488122 /nfs/dbraw/zinc/48/81/22/604488122.db2.gz COMKIVQUGPKHGC-KRWDZBQOSA-N -1 0 332.363 2.660 20 30 EFEDRM C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833369634 604490892 /nfs/dbraw/zinc/49/08/92/604490892.db2.gz BPIMAWWYRKELGE-GFCCVEGCSA-N -1 0 328.372 2.965 20 30 EFEDRM C#CCSCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825631712 604501136 /nfs/dbraw/zinc/50/11/36/604501136.db2.gz KBZDWQVFDXBDSY-CQSZACIVSA-N -1 0 334.441 2.504 20 30 EFEDRM CC(C)C[C@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000833479690 604502139 /nfs/dbraw/zinc/50/21/39/604502139.db2.gz FHNWPUVVYWGARN-LBPRGKRZSA-N -1 0 340.832 2.919 20 30 EFEDRM CC(N=Nc1c(Cl)cc(F)cc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000833386656 604504709 /nfs/dbraw/zinc/50/47/09/604504709.db2.gz PQCBDOBGNSUFGX-UHFFFAOYSA-N -1 0 346.149 2.645 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000828587992 604519763 /nfs/dbraw/zinc/51/97/63/604519763.db2.gz YTKVGHOGHLIXFR-LSDHHAIUSA-N -1 0 345.399 2.516 20 30 EFEDRM Cc1cc([C@@H](C)OC(=O)COc2ccccc2C#N)oc1C(=O)[O-] ZINC000832872983 604544837 /nfs/dbraw/zinc/54/48/37/604544837.db2.gz YNTATMUBELISAN-LLVKDONJSA-N -1 0 329.308 2.841 20 30 EFEDRM Cc1sc2ncn(Cc3cccc(C(=O)[O-])c3C#N)c(=O)c2c1C ZINC000833758929 604547135 /nfs/dbraw/zinc/54/71/35/604547135.db2.gz CYPUYBMPMFEMRH-UHFFFAOYSA-N -1 0 339.376 2.693 20 30 EFEDRM C[C@@H]1CCc2c(sc(NC(=O)Cn3ccc(C#N)c3)c2C(=O)[O-])C1 ZINC000833616945 604550867 /nfs/dbraw/zinc/55/08/67/604550867.db2.gz KSJLDFCDFSVVOY-SNVBAGLBSA-N -1 0 343.408 2.883 20 30 EFEDRM Cc1cc([C@@H](C)OC(=O)COc2cccc(C#N)c2)oc1C(=O)[O-] ZINC000832870661 604568663 /nfs/dbraw/zinc/56/86/63/604568663.db2.gz BIVUAHYJICEPNV-LLVKDONJSA-N -1 0 329.308 2.841 20 30 EFEDRM Cc1ccc(F)c(N)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833749568 604583904 /nfs/dbraw/zinc/58/39/04/604583904.db2.gz NKGDLQMMZIWSKX-UHFFFAOYSA-N -1 0 328.299 2.643 20 30 EFEDRM CC(C)Oc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccn1 ZINC000833505878 604584681 /nfs/dbraw/zinc/58/46/81/604584681.db2.gz WDMBJXFENLPMTB-UHFFFAOYSA-N -1 0 340.335 2.796 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833375576 604585997 /nfs/dbraw/zinc/58/59/97/604585997.db2.gz GAUNTPKEGTYKMI-UHFFFAOYSA-N -1 0 343.364 2.668 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000832153211 604596726 /nfs/dbraw/zinc/59/67/26/604596726.db2.gz WTGFIAPCTHUPAE-UHFFFAOYSA-N -1 0 328.324 2.567 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2cc(C#N)ccc2OC)c(C)c1C(=O)[O-] ZINC000830203156 604596891 /nfs/dbraw/zinc/59/68/91/604596891.db2.gz WTSJKWSWSKTHCD-UHFFFAOYSA-N -1 0 342.351 2.821 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000832153197 604597161 /nfs/dbraw/zinc/59/71/61/604597161.db2.gz VZRULEJVPPOJHQ-UHFFFAOYSA-N -1 0 342.307 2.719 20 30 EFEDRM Cc1ccc(F)c(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832934979 604608793 /nfs/dbraw/zinc/60/87/93/604608793.db2.gz SYXNXUMUGOHUIV-QGZVFWFLSA-N -1 0 343.310 2.754 20 30 EFEDRM Cc1nc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)s1 ZINC000832999564 604611182 /nfs/dbraw/zinc/61/11/82/604611182.db2.gz YIELNMPEDXWTQL-OAHLLOKOSA-N -1 0 330.365 2.543 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc2N(C)C1=O ZINC000833629307 604616121 /nfs/dbraw/zinc/61/61/21/604616121.db2.gz HKONASGSSMQHBN-ZDUSSCGKSA-N -1 0 349.390 2.876 20 30 EFEDRM CC(C)(NCc1cccc(C(=O)[O-])c1C#N)C(=O)Nc1ccccc1 ZINC000833460915 604617709 /nfs/dbraw/zinc/61/77/09/604617709.db2.gz OKTJAVOTYZOQPF-UHFFFAOYSA-N -1 0 337.379 2.763 20 30 EFEDRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000833213586 604631303 /nfs/dbraw/zinc/63/13/03/604631303.db2.gz KTMNCPHNTWIXDU-SFHVURJKSA-N -1 0 349.390 2.952 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccc(C)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814692802 604633126 /nfs/dbraw/zinc/63/31/26/604633126.db2.gz DHADGAMALHAOSV-ZDUSSCGKSA-N -1 0 340.445 2.930 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833360143 604637486 /nfs/dbraw/zinc/63/74/86/604637486.db2.gz DLXCJBYKSJWOAO-QGZVFWFLSA-N -1 0 343.404 2.569 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1C#N ZINC000827054172 604639259 /nfs/dbraw/zinc/63/92/59/604639259.db2.gz CDGGJHNCOTUXIP-AWEZNQCLSA-N -1 0 346.387 2.609 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C ZINC000829027080 604648831 /nfs/dbraw/zinc/64/88/31/604648831.db2.gz MPVXOMSIWXGOMA-VQIMIIECSA-N -1 0 345.443 2.579 20 30 EFEDRM C=CCc1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc(OC)c1OC ZINC000825702260 604722596 /nfs/dbraw/zinc/72/25/96/604722596.db2.gz GMMRWEZMWYKYOO-UHFFFAOYSA-N -1 0 347.411 2.902 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000825699366 604724859 /nfs/dbraw/zinc/72/48/59/604724859.db2.gz YCBSEKUXAGYJST-UHFFFAOYSA-N -1 0 332.381 2.977 20 30 EFEDRM C=CCNc1ncc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000825692571 604742020 /nfs/dbraw/zinc/74/20/20/604742020.db2.gz YZTTZQYZGKICNW-LLVKDONJSA-N -1 0 329.381 2.570 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1SC[C@H](F)C(=O)[O-] ZINC000825710993 604749829 /nfs/dbraw/zinc/74/98/29/604749829.db2.gz KOOMZLNRRGUQFX-LBPRGKRZSA-N -1 0 337.376 2.558 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1c(C)nn(CCC(=O)[O-])c1C ZINC000833367363 604774956 /nfs/dbraw/zinc/77/49/56/604774956.db2.gz VNDPCZQSGASJEI-UHFFFAOYSA-N -1 0 345.374 2.738 20 30 EFEDRM Cc1nc(=O)[nH]c(SCC#Cc2cccc(Cl)c2)c1C(=O)[O-] ZINC000832843171 604785831 /nfs/dbraw/zinc/78/58/31/604785831.db2.gz SQUWCOILLCESIF-UHFFFAOYSA-N -1 0 334.784 2.986 20 30 EFEDRM Cc1cc(C#N)ccc1OCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000832858846 604794763 /nfs/dbraw/zinc/79/47/63/604794763.db2.gz IKLDXYNMNXLRQK-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833452848 604822413 /nfs/dbraw/zinc/82/24/13/604822413.db2.gz JQOYZNHLCSRAMP-UHFFFAOYSA-N -1 0 325.368 2.994 20 30 EFEDRM N#Cc1c(Cl)nsc1NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000833760938 604835487 /nfs/dbraw/zinc/83/54/87/604835487.db2.gz JUBMZEHRXJNETI-JTQLQIEISA-N -1 0 341.751 2.751 20 30 EFEDRM C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409546 604846698 /nfs/dbraw/zinc/84/66/98/604846698.db2.gz OLAFSVUSRKYOTB-CYBMUJFWSA-N -1 0 349.390 2.642 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181900059 604869216 /nfs/dbraw/zinc/86/92/16/604869216.db2.gz RCONNFSCHSSZCE-ZANVPECISA-N -1 0 329.755 2.702 20 30 EFEDRM COc1cccc(C#CCOC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832514203 604886112 /nfs/dbraw/zinc/88/61/12/604886112.db2.gz BNUKXKJEBIKOLS-UHFFFAOYSA-N -1 0 328.295 2.741 20 30 EFEDRM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(C(=O)[O-])o1 ZINC000833533617 604914088 /nfs/dbraw/zinc/91/40/88/604914088.db2.gz YNBPMZQKRWMRDM-NSHDSACASA-N -1 0 329.308 2.727 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000833732102 604926828 /nfs/dbraw/zinc/92/68/28/604926828.db2.gz LGQQJEXZFUCKMH-QGZVFWFLSA-N -1 0 338.363 2.821 20 30 EFEDRM CCc1[nH]c(C(=O)NC2(c3cccc(C#N)c3)CC2)c(C)c1C(=O)[O-] ZINC000833670249 604941609 /nfs/dbraw/zinc/94/16/09/604941609.db2.gz YVYCZXLQZSXDJD-UHFFFAOYSA-N -1 0 337.379 2.875 20 30 EFEDRM C[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C#N)cc1 ZINC000827678648 604972909 /nfs/dbraw/zinc/97/29/09/604972909.db2.gz CJSPWQLUZKKNDQ-SNVBAGLBSA-N -1 0 344.396 2.915 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000833413649 604975873 /nfs/dbraw/zinc/97/58/73/604975873.db2.gz DLUBJFMNCOPUGL-MRXNPFEDSA-N -1 0 328.412 2.571 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000833417696 604983481 /nfs/dbraw/zinc/98/34/81/604983481.db2.gz WBEZPSOLELRGES-CQSZACIVSA-N -1 0 347.390 2.730 20 30 EFEDRM C=CCNC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000825687489 604988481 /nfs/dbraw/zinc/98/84/81/604988481.db2.gz MEWDGNNURFNRET-HNNXBMFYSA-N -1 0 326.356 2.627 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000833375563 605001887 /nfs/dbraw/zinc/00/18/87/605001887.db2.gz FCCHPGSKHODGNY-NSHDSACASA-N -1 0 337.445 2.704 20 30 EFEDRM C[C@H](CC#N)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833516471 605007917 /nfs/dbraw/zinc/00/79/17/605007917.db2.gz XQFKWEWPBXPVID-SECBINFHSA-N -1 0 338.341 2.621 20 30 EFEDRM CCc1nc(NC(=O)c2ncc(C#N)cc2Cl)sc1C(=O)[O-] ZINC000833676054 605008977 /nfs/dbraw/zinc/00/89/77/605008977.db2.gz YHXLSILMWJZOEP-UHFFFAOYSA-N -1 0 336.760 2.576 20 30 EFEDRM C#CCCCCC(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833362996 605018595 /nfs/dbraw/zinc/01/85/95/605018595.db2.gz VSOIZYBPKOXPIP-UHFFFAOYSA-N -1 0 337.397 2.738 20 30 EFEDRM C=C(Cl)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833370384 605020494 /nfs/dbraw/zinc/02/04/94/605020494.db2.gz NDVCLLUFIUIKEC-UHFFFAOYSA-N -1 0 344.776 2.644 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)N[C@H]1CCCC[C@H]1C ZINC000833611853 605038365 /nfs/dbraw/zinc/03/83/65/605038365.db2.gz KPLNCDHHDRDOJX-DYEKYZERSA-N -1 0 336.461 2.510 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)N[C@@H]1CCCC[C@H]1C ZINC000833611856 605038377 /nfs/dbraw/zinc/03/83/77/605038377.db2.gz KPLNCDHHDRDOJX-MBNYWOFBSA-N -1 0 336.461 2.510 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ncccc1C(F)(F)F ZINC000833407620 605039112 /nfs/dbraw/zinc/03/91/12/605039112.db2.gz UDDAMKZGPWXZNC-VIFPVBQESA-N -1 0 326.278 2.994 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cccn2[C@H](C)C(=O)[O-])o1 ZINC000833495222 605040267 /nfs/dbraw/zinc/04/02/67/605040267.db2.gz XXCPMCLVTVFGJM-LLVKDONJSA-N -1 0 329.360 2.638 20 30 EFEDRM Cc1ccc(F)c(NC(=S)NN=Cc2cccn2[C@H](C)C(=O)[O-])c1 ZINC000833749433 605040502 /nfs/dbraw/zinc/04/05/02/605040502.db2.gz LTFAESAVAYFHJX-LLVKDONJSA-N -1 0 348.403 2.902 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833747595 605047689 /nfs/dbraw/zinc/04/76/89/605047689.db2.gz ZECLBADCDGESLY-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2ccccc2CC(=O)[O-])s1 ZINC000833376185 605055983 /nfs/dbraw/zinc/05/59/83/605055983.db2.gz WFHISWOPRGLXMA-UHFFFAOYSA-N -1 0 332.381 2.725 20 30 EFEDRM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1C#N)C(=O)OC(C)(C)C ZINC000833508417 605080015 /nfs/dbraw/zinc/08/00/15/605080015.db2.gz RPVUDQBUNGJYGA-OAHLLOKOSA-N -1 0 332.400 2.712 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833373655 605084277 /nfs/dbraw/zinc/08/42/77/605084277.db2.gz WQLCWIILIOFRLX-JTQLQIEISA-N -1 0 338.791 2.838 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833412535 605097056 /nfs/dbraw/zinc/09/70/56/605097056.db2.gz BCNYJJZTHXVOKX-UHFFFAOYSA-N -1 0 341.367 2.974 20 30 EFEDRM COc1cc(OC)c(OC)cc1C=NNc1ccccc1C(=O)[O-] ZINC000812441941 605098463 /nfs/dbraw/zinc/09/84/63/605098463.db2.gz JOZFYUJDCIJAID-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC000833760351 605102876 /nfs/dbraw/zinc/10/28/76/605102876.db2.gz OGEAKURDNNKCFX-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC000833454404 605108366 /nfs/dbraw/zinc/10/83/66/605108366.db2.gz MOFMFTJXZVFPII-UHFFFAOYSA-N -1 0 326.356 2.573 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000833379633 605129571 /nfs/dbraw/zinc/12/95/71/605129571.db2.gz JDGHMMIKMVPKKG-AAEUAGOBSA-N -1 0 334.368 2.842 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000063097111 605130732 /nfs/dbraw/zinc/13/07/32/605130732.db2.gz ISFFOEUKEMLBMO-MRVPVSSYSA-N -1 0 340.177 2.913 20 30 EFEDRM COc1ccc(O)cc1C(=O)/C=C/c1ccc(OCC(=O)[O-])cc1 ZINC000779710712 605145756 /nfs/dbraw/zinc/14/57/56/605145756.db2.gz CLBIRIJLGJJDQO-XBXARRHUSA-N -1 0 328.320 2.760 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000833613915 605151010 /nfs/dbraw/zinc/15/10/10/605151010.db2.gz WPBZETNMBKUAFC-DOMZBBRYSA-N -1 0 349.456 2.527 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000745613749 605151775 /nfs/dbraw/zinc/15/17/75/605151775.db2.gz NLKTWMJMVMPJRV-UHFFFAOYSA-N -1 0 342.355 2.654 20 30 EFEDRM Cc1ccc(C#N)c(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC000833747302 605157694 /nfs/dbraw/zinc/15/76/94/605157694.db2.gz JBWXDYWCWPJIBZ-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472695 605166936 /nfs/dbraw/zinc/16/69/36/605166936.db2.gz VNJJJVUUYOXMRJ-MRXNPFEDSA-N -1 0 339.351 2.694 20 30 EFEDRM C#Cc1ccc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)nc1 ZINC000833368170 605184991 /nfs/dbraw/zinc/18/49/91/605184991.db2.gz IFSVWBIZGKMQMU-UHFFFAOYSA-N -1 0 348.314 2.773 20 30 EFEDRM C#CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833367182 605195423 /nfs/dbraw/zinc/19/54/23/605195423.db2.gz RQNDBNQMMGGBFJ-QGZVFWFLSA-N -1 0 339.347 2.723 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000833751115 605200731 /nfs/dbraw/zinc/20/07/31/605200731.db2.gz OOWNUJMHVZASJG-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833371837 605202572 /nfs/dbraw/zinc/20/25/72/605202572.db2.gz XLPPSLGDHDGYHF-VIFPVBQESA-N -1 0 346.305 2.710 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833373788 605249012 /nfs/dbraw/zinc/24/90/12/605249012.db2.gz CUXJZMMEPUCGOE-LBPRGKRZSA-N -1 0 348.424 2.956 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833374031 605249174 /nfs/dbraw/zinc/24/91/74/605249174.db2.gz OBFYIKREBGFYQT-VIFPVBQESA-N -1 0 333.356 2.686 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(F)cn1 ZINC000833380211 605325442 /nfs/dbraw/zinc/32/54/42/605325442.db2.gz YNXNRLVLNZDWBP-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(CC#N)cc2)cc(C(=O)[O-])c1 ZINC000833714828 605336168 /nfs/dbraw/zinc/33/61/68/605336168.db2.gz YELRWNCFHIDGBO-UHFFFAOYSA-N -1 0 325.320 2.816 20 30 EFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2ccc(C(=O)[O-])o2)C1 ZINC000833393866 605417831 /nfs/dbraw/zinc/41/78/31/605417831.db2.gz UNCNVAXSARTGNB-JYRVWZFOSA-N -1 0 325.320 2.606 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000833374696 605446206 /nfs/dbraw/zinc/44/62/06/605446206.db2.gz YITAEGUKBQPTTH-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833375801 605451017 /nfs/dbraw/zinc/45/10/17/605451017.db2.gz GKVUFUJMGNRITL-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833374254 605477078 /nfs/dbraw/zinc/47/70/78/605477078.db2.gz DKCFZEFYJLWBKG-UHFFFAOYSA-N -1 0 328.368 2.647 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833374688 605486346 /nfs/dbraw/zinc/48/63/46/605486346.db2.gz XYUNGTBATUZUHT-UHFFFAOYSA-N -1 0 329.352 2.614 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000747039853 605592599 /nfs/dbraw/zinc/59/25/99/605592599.db2.gz FHCJXPAAQWKXHH-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)[O-] ZINC000818622231 605719257 /nfs/dbraw/zinc/71/92/57/605719257.db2.gz LTLOODMYBFEEDY-OLZOCXBDSA-N -1 0 333.388 2.846 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833537049 605809353 /nfs/dbraw/zinc/80/93/53/605809353.db2.gz GPNOYJWBQWYCDN-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)s1 ZINC000823387760 606304626 /nfs/dbraw/zinc/30/46/26/606304626.db2.gz WVTFLPVNEYAKMU-OWOJBTEDSA-N -1 0 332.366 2.584 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H](C)CCc2ccccc2)o1 ZINC000822424150 606434695 /nfs/dbraw/zinc/43/46/95/606434695.db2.gz SDQNLXDHGQJMQQ-LLVKDONJSA-N -1 0 325.376 2.830 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CC2CCOCC2)o1 ZINC000820235974 606860899 /nfs/dbraw/zinc/86/08/99/606860899.db2.gz VUMCLNWMOHGPOY-UHFFFAOYSA-N -1 0 347.423 2.658 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc([O-])c(F)c1 ZINC000826400571 608880427 /nfs/dbraw/zinc/88/04/27/608880427.db2.gz BMJCPZJRMZHDCK-GORDUTHDSA-N -1 0 328.278 2.747 20 30 EFEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823962925 609157615 /nfs/dbraw/zinc/15/76/15/609157615.db2.gz SCVOXZHDIBREJH-UHFFFAOYSA-N -1 0 340.318 2.540 20 30 EFEDRM Cc1cc(C)n(N=CC2(C)CCCCCC2)c(=O)c1-c1nnn[n-]1 ZINC000826265205 609518006 /nfs/dbraw/zinc/51/80/06/609518006.db2.gz PSNYJECMPYVZSI-UHFFFAOYSA-N -1 0 328.420 2.840 20 30 EFEDRM Cc1ccc(CN2C[C@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)cc1 ZINC000176817257 1249129583 /nfs/dbraw/zinc/12/95/83/1249129583.db2.gz ASTRZRKLBMONEY-MRXNPFEDSA-N -1 0 349.390 2.560 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1 ZINC000850739098 1250589284 /nfs/dbraw/zinc/58/92/84/1250589284.db2.gz HCKROCXFPGMIHD-WKILWMFISA-N -1 0 346.452 2.970 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)nc2ccccc21 ZINC000850752546 1250593973 /nfs/dbraw/zinc/59/39/73/1250593973.db2.gz PTBVJROTSWGBIP-HNNXBMFYSA-N -1 0 339.395 2.872 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000850899733 1250674702 /nfs/dbraw/zinc/67/47/02/1250674702.db2.gz VKIXWZMGLQMRTM-GVDBMIGSSA-N -1 0 335.407 2.971 20 30 EFEDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000850947953 1250706042 /nfs/dbraw/zinc/70/60/42/1250706042.db2.gz KGVZPTNGMHAZMO-AWEZNQCLSA-N -1 0 332.441 2.825 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C)c1ccccc1 ZINC000850977837 1250724167 /nfs/dbraw/zinc/72/41/67/1250724167.db2.gz FQCQQHOCACIYJQ-JSGCOSHPSA-N -1 0 344.802 2.663 20 30 EFEDRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191656 1250857926 /nfs/dbraw/zinc/85/79/26/1250857926.db2.gz JVMLXEILWMEGAY-DHZHZOJOSA-N -1 0 338.404 2.636 20 30 EFEDRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192226 1250859634 /nfs/dbraw/zinc/85/96/34/1250859634.db2.gz DEQZZMRNQSZETI-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000851652204 1251175307 /nfs/dbraw/zinc/17/53/07/1251175307.db2.gz TWNXYZZJEXAPJW-KRWDZBQOSA-N -1 0 330.428 2.968 20 30 EFEDRM O=C1c2ccccc2C(=O)N1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000254439935 1251352627 /nfs/dbraw/zinc/35/26/27/1251352627.db2.gz FSWWIDUTCIMLHG-UHFFFAOYSA-N -1 0 345.698 2.584 20 30 EFEDRM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000179985068 1252270295 /nfs/dbraw/zinc/27/02/95/1252270295.db2.gz OEAHAVSAGAXDTK-QGZVFWFLSA-N -1 0 327.428 2.914 20 30 EFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000073264112 1253702603 /nfs/dbraw/zinc/70/26/03/1253702603.db2.gz YRUHDHKHKWCUGL-UHFFFAOYSA-N -1 0 336.394 2.630 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCC1 ZINC000921542836 1257087630 /nfs/dbraw/zinc/08/76/30/1257087630.db2.gz ISFQPRCRMAQILW-ZDUSSCGKSA-N -1 0 328.347 2.529 20 30 EFEDRM CCC1=C(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCO1 ZINC000791537505 1278153507 /nfs/dbraw/zinc/15/35/07/1278153507.db2.gz ONSGBMHDPXAAHT-LBPRGKRZSA-N -1 0 334.397 2.646 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)[nH]n1 ZINC000075040450 1262791122 /nfs/dbraw/zinc/79/11/22/1262791122.db2.gz WVORPWCRJCXWOH-UHFFFAOYSA-N -1 0 325.365 2.503 20 30 EFEDRM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC000130897102 1262809527 /nfs/dbraw/zinc/80/95/27/1262809527.db2.gz UQARFGPKHZREFY-ZDUSSCGKSA-N -1 0 343.408 2.666 20 30 EFEDRM C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000075799026 1263175780 /nfs/dbraw/zinc/17/57/80/1263175780.db2.gz VGVXZYOFPUXGHE-VIFPVBQESA-N -1 0 346.836 2.536 20 30 EFEDRM N#CCn1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cc2ccccc21 ZINC000729891825 1264089524 /nfs/dbraw/zinc/08/95/24/1264089524.db2.gz NNBUBWIXTMPRLF-OAHLLOKOSA-N -1 0 334.379 2.546 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc(C2CC2)s1 ZINC000729888836 1264099736 /nfs/dbraw/zinc/09/97/36/1264099736.db2.gz JDIRBGPAPDVPSC-ZDUSSCGKSA-N -1 0 325.393 2.659 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc(C2CC2)s1 ZINC000729888834 1264100368 /nfs/dbraw/zinc/10/03/68/1264100368.db2.gz JDIRBGPAPDVPSC-CYBMUJFWSA-N -1 0 325.393 2.659 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNc2ccnc3ccccc32)c1)C(=O)[O-] ZINC000730147138 1264214503 /nfs/dbraw/zinc/21/45/03/1264214503.db2.gz KISMHEUXAKYSBB-CYBMUJFWSA-N -1 0 335.363 2.955 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cs1 ZINC000730148822 1264214678 /nfs/dbraw/zinc/21/46/78/1264214678.db2.gz MQIYEZFEFPXCCF-ONEGZZNKSA-N -1 0 329.381 2.733 20 30 EFEDRM C#CCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730205936 1264246347 /nfs/dbraw/zinc/24/63/47/1264246347.db2.gz ZXRNDQAKGFULMZ-UHFFFAOYSA-N -1 0 334.784 2.722 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000730722076 1264427306 /nfs/dbraw/zinc/42/73/06/1264427306.db2.gz MZVAREVJYJDPJT-UHFFFAOYSA-N -1 0 342.689 2.632 20 30 EFEDRM Cn1ncc2c1CC/C(=C/c1ccc(OC(F)(F)C(=O)[O-])cc1)C2=O ZINC000730730292 1264428842 /nfs/dbraw/zinc/42/88/42/1264428842.db2.gz WLAVMKBUJUOPOV-FLIBITNWSA-N -1 0 348.305 2.689 20 30 EFEDRM CS(=O)(=O)Cc1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255553200 1264474650 /nfs/dbraw/zinc/47/46/50/1264474650.db2.gz NJIXHDXYEQAQSS-UHFFFAOYSA-N -1 0 334.353 2.596 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000730995344 1264508568 /nfs/dbraw/zinc/50/85/68/1264508568.db2.gz FSRBGUHZQNMHCV-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000733205194 1265124996 /nfs/dbraw/zinc/12/49/96/1265124996.db2.gz MUXCFWSZYSLOHE-FPLPWBNLSA-N -1 0 327.292 2.954 20 30 EFEDRM COc1ccc(CN=Nc2ncccc2Cl)c(OCC(=O)[O-])c1 ZINC000734365755 1266955419 /nfs/dbraw/zinc/95/54/19/1266955419.db2.gz RVHDEQQVRXCFJQ-UHFFFAOYSA-N -1 0 335.747 2.653 20 30 EFEDRM CC(C)(C)n1cc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)nn1 ZINC000843267787 1267255482 /nfs/dbraw/zinc/25/54/82/1267255482.db2.gz GIZNISQJNKFBEL-KUCQQTCKSA-N -1 0 325.368 2.871 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000073837923 1267534775 /nfs/dbraw/zinc/53/47/75/1267534775.db2.gz QCZADOPQVSVINL-LBPRGKRZSA-N -1 0 346.493 2.936 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cnc(-c2ccccc2)nc1 ZINC000073838409 1267536098 /nfs/dbraw/zinc/53/60/98/1267536098.db2.gz MIQIRIWPPNBEOQ-UHFFFAOYSA-N -1 0 333.413 2.967 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000073838433 1267536147 /nfs/dbraw/zinc/53/61/47/1267536147.db2.gz OYTUZYZPDJKPGK-UHFFFAOYSA-N -1 0 343.405 2.872 20 30 EFEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)COC)cc1 ZINC000073839051 1267536570 /nfs/dbraw/zinc/53/65/70/1267536570.db2.gz NFQCKVOVVFALMX-CYBMUJFWSA-N -1 0 327.446 2.893 20 30 EFEDRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)COC)c2ccccc21 ZINC000073838902 1267536620 /nfs/dbraw/zinc/53/66/20/1267536620.db2.gz HYYNATGHZLVAIS-LBPRGKRZSA-N -1 0 338.429 2.525 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCC1 ZINC000073839066 1267536629 /nfs/dbraw/zinc/53/66/29/1267536629.db2.gz GJLBDHYQQGFCJO-NSHDSACASA-N -1 0 329.393 2.569 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1cc(C)c(C)cc1C ZINC000073838708 1267537158 /nfs/dbraw/zinc/53/71/58/1267537158.db2.gz KWHVKABSUXUJRH-UZYOAWRESA-N -1 0 325.430 2.946 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)CCC1 ZINC000791794744 1278353672 /nfs/dbraw/zinc/35/36/72/1278353672.db2.gz NJXGXONKRGOVEU-UHFFFAOYSA-N -1 0 334.441 2.547 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510893 1267783240 /nfs/dbraw/zinc/78/32/40/1267783240.db2.gz IGDIWWKWYBBUSL-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)CCC1 ZINC000791799652 1278359099 /nfs/dbraw/zinc/35/90/99/1278359099.db2.gz IRLDBULXJUCYSQ-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H]3C)cc2[n-]c1=S ZINC000740928921 1269171174 /nfs/dbraw/zinc/17/11/74/1269171174.db2.gz UNHMODFJJPCIJU-NWDGAFQWSA-N -1 0 343.452 2.742 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000741656688 1269638825 /nfs/dbraw/zinc/63/88/25/1269638825.db2.gz FZCIEVNDFHLPIT-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM O=S1(=O)NC(=NN=Cc2cc3cc(F)ccc3o2)c2ccccc21 ZINC000741763103 1269683387 /nfs/dbraw/zinc/68/33/87/1269683387.db2.gz WXBMVXUIMGUAGR-UHFFFAOYSA-N -1 0 343.339 2.645 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(F)(F)F)n1 ZINC000792108915 1278548810 /nfs/dbraw/zinc/54/88/10/1278548810.db2.gz MNKXDERKRLGNKL-SECBINFHSA-N -1 0 345.284 2.872 20 30 EFEDRM C#CCN1CCC[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000737492757 1270475361 /nfs/dbraw/zinc/47/53/61/1270475361.db2.gz PVRIMDKPEYVDFL-ZDUSSCGKSA-N -1 0 328.393 2.636 20 30 EFEDRM C=CCOCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000737532281 1271029811 /nfs/dbraw/zinc/02/98/11/1271029811.db2.gz BPLAQPAWPGIGME-QGZVFWFLSA-N -1 0 331.412 2.686 20 30 EFEDRM COC(=O)c1occc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745020441 1271274480 /nfs/dbraw/zinc/27/44/80/1271274480.db2.gz FHPCEHSJHBPEPO-MLRMMBSGSA-N -1 0 344.319 2.814 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000745376977 1271463159 /nfs/dbraw/zinc/46/31/59/1271463159.db2.gz JWBWQAGDEAOPLN-ZIAGYGMSSA-N -1 0 326.377 2.511 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccc(C)o2)n1 ZINC000745663861 1271554005 /nfs/dbraw/zinc/55/40/05/1271554005.db2.gz GEKGQSUHSFATMN-NWDGAFQWSA-N -1 0 332.381 2.876 20 30 EFEDRM CCn1c(C)cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000746206972 1271886437 /nfs/dbraw/zinc/88/64/37/1271886437.db2.gz YDKGUVFADAMOQN-CQSZACIVSA-N -1 0 345.424 2.923 20 30 EFEDRM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1SC ZINC000746340574 1272064728 /nfs/dbraw/zinc/06/47/28/1272064728.db2.gz LFXNPQDHQGRZBQ-NBUZRDOWSA-N -1 0 332.377 2.645 20 30 EFEDRM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1SC ZINC000746340572 1272065913 /nfs/dbraw/zinc/06/59/13/1272065913.db2.gz LFXNPQDHQGRZBQ-LEXSJLIMSA-N -1 0 332.377 2.645 20 30 EFEDRM N#Cc1cccc(Cl)c1CN1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001143726714 1278717460 /nfs/dbraw/zinc/71/74/60/1278717460.db2.gz ZZAFABRXXMPXCJ-UHFFFAOYSA-N -1 0 345.752 2.855 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)N(CC)c1ccccc1C ZINC000785970578 1275254588 /nfs/dbraw/zinc/25/45/88/1275254588.db2.gz BNQBQORWOVSSAC-UHFFFAOYSA-N -1 0 336.457 2.766 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786479704 1275404825 /nfs/dbraw/zinc/40/48/25/1275404825.db2.gz MYOZYVFVLOSCNU-RKDXNWHRSA-N -1 0 346.861 2.501 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n[nH]1 ZINC000786531793 1275420960 /nfs/dbraw/zinc/42/09/60/1275420960.db2.gz SXQDNXJNEAXOKX-ZDUSSCGKSA-N -1 0 344.802 2.825 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n[nH]1 ZINC000786531792 1275421077 /nfs/dbraw/zinc/42/10/77/1275421077.db2.gz SXQDNXJNEAXOKX-CYBMUJFWSA-N -1 0 344.802 2.825 20 30 EFEDRM CC(C)n1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n1 ZINC000786536448 1275423632 /nfs/dbraw/zinc/42/36/32/1275423632.db2.gz OAIRTDKSCCOYLI-CQSZACIVSA-N -1 0 344.802 2.756 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(C2CC2)[nH]n1 ZINC000786536512 1275423678 /nfs/dbraw/zinc/42/36/78/1275423678.db2.gz OLSPBJFBPRZYEE-CYBMUJFWSA-N -1 0 342.786 2.579 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000786496930 1275426257 /nfs/dbraw/zinc/42/62/57/1275426257.db2.gz ONSDSTXAWQWDJE-UHFFFAOYSA-N -1 0 325.405 2.831 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786545765 1275438242 /nfs/dbraw/zinc/43/82/42/1275438242.db2.gz FPYLYOQWJNEIPU-CYBMUJFWSA-N -1 0 327.409 2.653 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cnn1C(C)C ZINC000786547585 1275438934 /nfs/dbraw/zinc/43/89/34/1275438934.db2.gz TZUPZUUOFQOUFV-MRXNPFEDSA-N -1 0 338.411 2.720 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(CC#N)c2)c1 ZINC000786550103 1275439581 /nfs/dbraw/zinc/43/95/81/1275439581.db2.gz MVZKMBKEEDUJHG-GOSISDBHSA-N -1 0 331.375 2.700 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786563972 1275445107 /nfs/dbraw/zinc/44/51/07/1275445107.db2.gz LDKGHGPTKOJQCI-JTQLQIEISA-N -1 0 349.362 2.623 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)o1 ZINC000786564419 1275445112 /nfs/dbraw/zinc/44/51/12/1275445112.db2.gz ZXQVLVHIKCVOIQ-AWEZNQCLSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)n1C ZINC000786571070 1275447163 /nfs/dbraw/zinc/44/71/63/1275447163.db2.gz NOZDYSJSUAMEEU-AWEZNQCLSA-N -1 0 345.349 2.559 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)n1C ZINC000786571073 1275447212 /nfs/dbraw/zinc/44/72/12/1275447212.db2.gz NOZDYSJSUAMEEU-CQSZACIVSA-N -1 0 345.349 2.559 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)o1 ZINC000786571604 1275447407 /nfs/dbraw/zinc/44/74/07/1275447407.db2.gz RNZCYGAXWOOEBS-CYBMUJFWSA-N -1 0 332.306 2.814 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N ZINC000786658292 1275464101 /nfs/dbraw/zinc/46/41/01/1275464101.db2.gz VTGQRYMPXYHOLF-VAWYXSNFSA-N -1 0 340.404 2.639 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn2ccccc12)c1ccccc1 ZINC000787030267 1275619575 /nfs/dbraw/zinc/61/95/75/1275619575.db2.gz CVMSEEDNUPXNPF-DOTOQJQBSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1)c1ccccc1 ZINC000787031994 1275621562 /nfs/dbraw/zinc/62/15/62/1275621562.db2.gz OAHFQMNARKSVPO-QWHCGFSZSA-N -1 0 346.337 2.868 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000787039400 1275624059 /nfs/dbraw/zinc/62/40/59/1275624059.db2.gz RUIAUFVYXIRFMO-ZIAGYGMSSA-N -1 0 341.367 2.663 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000787039396 1275624507 /nfs/dbraw/zinc/62/45/07/1275624507.db2.gz RUIAUFVYXIRFMO-KBPBESRZSA-N -1 0 341.367 2.663 20 30 EFEDRM C[C@H](Oc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000746677453 1275751164 /nfs/dbraw/zinc/75/11/64/1275751164.db2.gz XGMNUOWYRZHKPL-NSHDSACASA-N -1 0 329.312 2.893 20 30 EFEDRM COc1ccc(CNN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000746679246 1275765909 /nfs/dbraw/zinc/76/59/09/1275765909.db2.gz BBQXDNXTCVREJU-ZDUSSCGKSA-N -1 0 328.368 2.671 20 30 EFEDRM C[C@H](Oc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000746677514 1275766099 /nfs/dbraw/zinc/76/60/99/1275766099.db2.gz XSQJPVMQFXUQHF-NSHDSACASA-N -1 0 329.312 2.893 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000746678939 1275767132 /nfs/dbraw/zinc/76/71/32/1275767132.db2.gz JYKNXUZWSAGPOD-NSHDSACASA-N -1 0 348.428 2.644 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2cccc(O[C@@H](C)C(=O)[O-])c2)o1 ZINC000746680170 1275776661 /nfs/dbraw/zinc/77/66/61/1275776661.db2.gz QQEXZHVOWVXMJJ-NSHDSACASA-N -1 0 342.355 2.968 20 30 EFEDRM C[C@@H](Oc1cccc(CN=Nc2ncnc3sccc32)c1)C(=O)[O-] ZINC000746683516 1275781298 /nfs/dbraw/zinc/78/12/98/1275781298.db2.gz XZDQRJWPOBGQIZ-SNVBAGLBSA-N -1 0 342.380 2.989 20 30 EFEDRM CS(=O)(=O)Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000746683372 1275781521 /nfs/dbraw/zinc/78/15/21/1275781521.db2.gz KDMNBMYMSOLBQN-UHFFFAOYSA-N -1 0 334.353 2.596 20 30 EFEDRM O=[N+]([O-])c1ccc(CN=Nc2nnc(-c3ccccn3)s2)cc1[O-] ZINC000788027671 1276009250 /nfs/dbraw/zinc/00/92/50/1276009250.db2.gz FTHGCDHZAIVGBA-UHFFFAOYSA-N -1 0 342.340 2.660 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC000788072007 1276028614 /nfs/dbraw/zinc/02/86/14/1276028614.db2.gz SUHGEQFKPJHOMU-UHFFFAOYSA-N -1 0 327.814 2.638 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)ccc1C#N ZINC000788205492 1276089802 /nfs/dbraw/zinc/08/98/02/1276089802.db2.gz MZGLRSXTVPWUCB-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1cc(C(=O)[O-])ccc1C ZINC000788429994 1276163065 /nfs/dbraw/zinc/16/30/65/1276163065.db2.gz QOZBKBNOESICPR-UHFFFAOYSA-N -1 0 346.408 2.933 20 30 EFEDRM O=C([O-])c1ccccc1COc1cccc(C=NN[C@H]2CCOC2)c1 ZINC000788456326 1276180383 /nfs/dbraw/zinc/18/03/83/1276180383.db2.gz MIMCXIZRPJLFIT-INIZCTEOSA-N -1 0 340.379 2.676 20 30 EFEDRM COCCOc1cc(OC)ccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000788521623 1276208967 /nfs/dbraw/zinc/20/89/67/1276208967.db2.gz SZOFPGDBZKECLE-UHFFFAOYSA-N -1 0 342.351 2.550 20 30 EFEDRM C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccccc2O)CCC1 ZINC001062570347 1276272377 /nfs/dbraw/zinc/27/23/77/1276272377.db2.gz VLIBIZDGRJEIEJ-ZIAGYGMSSA-N -1 0 330.428 2.619 20 30 EFEDRM CCCCCCCCCN(C)C(=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000817896950 1276366810 /nfs/dbraw/zinc/36/68/10/1276366810.db2.gz ZZOREHJBOBLMPB-UHFFFAOYSA-N -1 0 340.464 2.519 20 30 EFEDRM N#Cc1cccc(-c2noc(-c3cc(=O)n(-c4ccccc4)[n-]3)n2)c1 ZINC001212602109 1279032872 /nfs/dbraw/zinc/03/28/72/1279032872.db2.gz IJRMKAGQFUJISN-UHFFFAOYSA-N -1 0 329.319 2.749 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)nc1 ZINC000789035155 1276465932 /nfs/dbraw/zinc/46/59/32/1276465932.db2.gz XXAWOSBRSYSBGG-AWEZNQCLSA-N -1 0 339.351 2.646 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)nc1 ZINC000789035157 1276465951 /nfs/dbraw/zinc/46/59/51/1276465951.db2.gz XXAWOSBRSYSBGG-CQSZACIVSA-N -1 0 339.351 2.646 20 30 EFEDRM N#Cc1cc2ccccc2cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000818279187 1276514848 /nfs/dbraw/zinc/51/48/48/1276514848.db2.gz LTISBKDNCMRTHB-UHFFFAOYSA-N -1 0 330.409 2.880 20 30 EFEDRM Cc1cc(C(=O)/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)n(C)n1 ZINC000789155910 1276535276 /nfs/dbraw/zinc/53/52/76/1276535276.db2.gz GQGGEHSRRGQCLX-VMPITWQZSA-N -1 0 336.294 2.681 20 30 EFEDRM O=C([N-][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(F)(F)C(F)F ZINC000923044602 1276642306 /nfs/dbraw/zinc/64/23/06/1276642306.db2.gz NNEXEHZBBVDBEY-BDAKNGLRSA-N -1 0 347.230 2.538 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2(C)C ZINC000789403802 1276717526 /nfs/dbraw/zinc/71/75/26/1276717526.db2.gz RXGBBBMMXHLKTN-CQSZACIVSA-N -1 0 328.412 2.985 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000789533944 1276789399 /nfs/dbraw/zinc/78/93/99/1276789399.db2.gz ZRNICIAXHNJYSH-UHFFFAOYSA-N -1 0 337.441 2.701 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000789619548 1276859444 /nfs/dbraw/zinc/85/94/44/1276859444.db2.gz GUJJRXZAKCSCAX-UHFFFAOYSA-N -1 0 331.821 2.818 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 ZINC000819801080 1276925320 /nfs/dbraw/zinc/92/53/20/1276925320.db2.gz LZVBHTMNPNHNMJ-SNVBAGLBSA-N -1 0 335.408 2.582 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000820078634 1277013625 /nfs/dbraw/zinc/01/36/25/1277013625.db2.gz IAEKFHNBCOEJJQ-UHFFFAOYSA-N -1 0 325.430 2.719 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccncc1 ZINC000789948375 1277111325 /nfs/dbraw/zinc/11/13/25/1277111325.db2.gz QJNCWEMZTFCASZ-OLZOCXBDSA-N -1 0 343.349 2.518 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)[N-]N3Cc4ccccc4C3=O)on2)c1 ZINC000790023228 1277195989 /nfs/dbraw/zinc/19/59/89/1277195989.db2.gz LXSQBEILEXVENF-UHFFFAOYSA-N -1 0 344.330 2.514 20 30 EFEDRM CC[C@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000820509045 1277199981 /nfs/dbraw/zinc/19/99/81/1277199981.db2.gz FIZSMIRTXQHILA-CQSZACIVSA-N -1 0 336.457 2.560 20 30 EFEDRM CC(C)N(C)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cn1 ZINC000790147423 1277288224 /nfs/dbraw/zinc/28/82/24/1277288224.db2.gz FCQOCCJBOSQFMD-UHFFFAOYSA-N -1 0 344.366 2.707 20 30 EFEDRM Oc1ccc(Cl)c(F)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000790148631 1277288260 /nfs/dbraw/zinc/28/82/60/1277288260.db2.gz ZWWPEZOPZMHALO-UHFFFAOYSA-N -1 0 340.689 2.966 20 30 EFEDRM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1nc2ccccn2n1 ZINC000790193855 1277340830 /nfs/dbraw/zinc/34/08/30/1277340830.db2.gz PTWKCLLEXRLZQA-UHFFFAOYSA-N -1 0 346.272 2.516 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(F)c1 ZINC000790394621 1277499135 /nfs/dbraw/zinc/49/91/35/1277499135.db2.gz QQLINURWADWUOO-UHFFFAOYSA-N -1 0 349.387 2.573 20 30 EFEDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000790408615 1277521453 /nfs/dbraw/zinc/52/14/53/1277521453.db2.gz ANMUXUFBZHYEQS-UHFFFAOYSA-N -1 0 336.344 2.602 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1 ZINC000821348898 1277526434 /nfs/dbraw/zinc/52/64/34/1277526434.db2.gz IFVLJKSKCUGFHN-UHFFFAOYSA-N -1 0 332.310 2.914 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC000790863488 1277840436 /nfs/dbraw/zinc/84/04/36/1277840436.db2.gz XWKLBCNMKQGDFU-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])n1ccc2ccccc2c1=O ZINC000791221876 1277989595 /nfs/dbraw/zinc/98/95/95/1277989595.db2.gz CTDRPTREYCHQQZ-GFCCVEGCSA-N -1 0 333.347 2.778 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)CC(C)(C)C)sc1C(=O)[O-] ZINC000871865717 1287329642 /nfs/dbraw/zinc/32/96/42/1287329642.db2.gz OJLPAMCIFJIVFN-UHFFFAOYSA-N -1 0 344.458 2.705 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000871867854 1287330933 /nfs/dbraw/zinc/33/09/33/1287330933.db2.gz UNRMCZCKZWSOMA-UHFFFAOYSA-N -1 0 329.805 2.687 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000792867455 1279203713 /nfs/dbraw/zinc/20/37/13/1279203713.db2.gz VRGSSVMBWUHHKY-UHFFFAOYSA-N -1 0 325.368 2.923 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160361 1287331825 /nfs/dbraw/zinc/33/18/25/1287331825.db2.gz IQCKTPAOPFDPCE-UHFFFAOYSA-N -1 0 327.315 2.807 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000792925587 1279280266 /nfs/dbraw/zinc/28/02/66/1279280266.db2.gz SQTRAFTZNAIMAS-ONNFQVAWSA-N -1 0 340.335 2.898 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC000793055295 1279344946 /nfs/dbraw/zinc/34/49/46/1279344946.db2.gz LGUMVOIXPTUVQT-MRXNPFEDSA-N -1 0 328.368 2.758 20 30 EFEDRM CC[C@H](NN=C(C)c1ccc(NC(=O)N(CC)CC)cc1)C(=O)[O-] ZINC000793072610 1279357063 /nfs/dbraw/zinc/35/70/63/1279357063.db2.gz OAYNJOUVQKPTHY-HNNXBMFYSA-N -1 0 334.420 2.737 20 30 EFEDRM CC[C@H](NN=C(C)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000793072484 1279357385 /nfs/dbraw/zinc/35/73/85/1279357385.db2.gz SVRVVPZPCPGVAE-LBPRGKRZSA-N -1 0 331.185 2.959 20 30 EFEDRM CC[C@H](NN=Cc1ccc(-c2ccccc2C(=O)OC)o1)C(=O)[O-] ZINC000793073122 1279357849 /nfs/dbraw/zinc/35/78/49/1279357849.db2.gz YRWBLTXKUSHHGP-AWEZNQCLSA-N -1 0 330.340 2.520 20 30 EFEDRM CC[C@@H](NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000793077319 1279358423 /nfs/dbraw/zinc/35/84/23/1279358423.db2.gz DCPWZQDHUQRJJG-UONOGXRCSA-N -1 0 340.807 2.685 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(Cc2ccccc2Cl)c1C)C(=O)[O-] ZINC000793077732 1279358432 /nfs/dbraw/zinc/35/84/32/1279358432.db2.gz HEUMKPYGAUXSAF-INIZCTEOSA-N -1 0 348.834 2.988 20 30 EFEDRM CC[C@@H](NN=C(C)c1cnc2sc(C(=O)OC)c(C)c2c1)C(=O)[O-] ZINC000793077924 1279359628 /nfs/dbraw/zinc/35/96/28/1279359628.db2.gz JWDVXTIIFJYLHZ-GFCCVEGCSA-N -1 0 349.412 2.568 20 30 EFEDRM CC[C@H](NN=C1CCCc2cc(Br)ccc21)C(=O)[O-] ZINC000793079740 1279359735 /nfs/dbraw/zinc/35/97/35/1279359735.db2.gz SWFPQEPNHCKIOC-LBPRGKRZSA-N -1 0 325.206 2.942 20 30 EFEDRM CCC(CSc1ccccc1[N+](=O)[O-])=NN[C@@H](CC)C(=O)[O-] ZINC000793059197 1279367583 /nfs/dbraw/zinc/36/75/83/1279367583.db2.gz ZMHHJIWODXMAKF-NSHDSACASA-N -1 0 325.390 2.906 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000793125396 1279371298 /nfs/dbraw/zinc/37/12/98/1279371298.db2.gz PFUKVAHQBPYURC-SECBINFHSA-N -1 0 349.799 2.904 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC=C3)cc1 ZINC000793110913 1279382535 /nfs/dbraw/zinc/38/25/35/1279382535.db2.gz YIUDIVRUPBAQDD-UHFFFAOYSA-N -1 0 338.388 2.636 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000793178222 1279425044 /nfs/dbraw/zinc/42/50/44/1279425044.db2.gz LNBKLODNXAZQFE-LBPRGKRZSA-N -1 0 349.374 2.906 20 30 EFEDRM Cc1ccc2c(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)csc2c1 ZINC000793195732 1279439009 /nfs/dbraw/zinc/43/90/09/1279439009.db2.gz NPZGKSWDYWGTSL-UHFFFAOYSA-N -1 0 334.422 2.573 20 30 EFEDRM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]c1ncncc1F ZINC000793217523 1279446081 /nfs/dbraw/zinc/44/60/81/1279446081.db2.gz GUHAAHYFOLYJBF-UHFFFAOYSA-N -1 0 326.118 2.691 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccc(C)cc1 ZINC000793204105 1279465426 /nfs/dbraw/zinc/46/54/26/1279465426.db2.gz ONYCTOXCIUMAHX-AWEZNQCLSA-N -1 0 334.441 2.629 20 30 EFEDRM C=CCSc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccn1 ZINC000793319846 1279541719 /nfs/dbraw/zinc/54/17/19/1279541719.db2.gz QEKHXSMLZFMBHU-UHFFFAOYSA-N -1 0 348.449 2.620 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793350497 1279597408 /nfs/dbraw/zinc/59/74/08/1279597408.db2.gz BJTHWGSZGBPKSJ-UHFFFAOYSA-N -1 0 334.224 2.910 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cn(-c2ccccc2)cn1 ZINC000845440711 1279632154 /nfs/dbraw/zinc/63/21/54/1279632154.db2.gz LKSGKLDZTZBWSJ-INIZCTEOSA-N -1 0 336.395 2.644 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cn(-c2ccccc2)cn1 ZINC000845440713 1279633915 /nfs/dbraw/zinc/63/39/15/1279633915.db2.gz LKSGKLDZTZBWSJ-MRXNPFEDSA-N -1 0 336.395 2.644 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCCC1 ZINC000845513893 1279695651 /nfs/dbraw/zinc/69/56/51/1279695651.db2.gz OOFLQLYUJGDUNT-QLFBSQMISA-N -1 0 336.457 2.509 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000845518962 1279698124 /nfs/dbraw/zinc/69/81/24/1279698124.db2.gz ILBUQTWOVHWLKN-NSHDSACASA-N -1 0 340.832 2.583 20 30 EFEDRM O=C(/C=C/C(=O)c1ccccc1)Nc1nc(Br)ccc1[O-] ZINC001144703153 1280010530 /nfs/dbraw/zinc/01/05/30/1280010530.db2.gz NSXGSZLPTKPRDY-VQHVLOKHSA-N -1 0 347.168 2.927 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000846149476 1280037324 /nfs/dbraw/zinc/03/73/24/1280037324.db2.gz NLBPSLISTNRXIX-LBPRGKRZSA-N -1 0 333.413 2.501 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000846152931 1280038653 /nfs/dbraw/zinc/03/86/53/1280038653.db2.gz VRSIAPNITAIACP-LBPRGKRZSA-N -1 0 346.383 2.679 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000846152275 1280038660 /nfs/dbraw/zinc/03/86/60/1280038660.db2.gz ABEJFMNMJIKHPT-GFCCVEGCSA-N -1 0 347.415 2.540 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000846154475 1280039359 /nfs/dbraw/zinc/03/93/59/1280039359.db2.gz MERQCFNCMGOTRW-LBPRGKRZSA-N -1 0 332.375 2.606 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000846156065 1280039515 /nfs/dbraw/zinc/03/95/15/1280039515.db2.gz KCRNWRQYTULIEZ-QMMMGPOBSA-N -1 0 335.385 2.581 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000846153654 1280039795 /nfs/dbraw/zinc/03/97/95/1280039795.db2.gz IOUFBZACYRTNFY-LLVKDONJSA-N -1 0 345.399 2.977 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000846155531 1280040434 /nfs/dbraw/zinc/04/04/34/1280040434.db2.gz UTISMRWWAOJGNY-NSHDSACASA-N -1 0 336.363 2.708 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000846155151 1280040788 /nfs/dbraw/zinc/04/07/88/1280040788.db2.gz VFCPSBGREDGZSQ-ZDUSSCGKSA-N -1 0 336.436 2.613 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000846147690 1280053352 /nfs/dbraw/zinc/05/33/52/1280053352.db2.gz ZTETWSOCVRPRRO-UHFFFAOYSA-N -1 0 330.306 2.744 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000846147515 1280053484 /nfs/dbraw/zinc/05/34/84/1280053484.db2.gz RLSWAOCHLVFJTC-UHFFFAOYSA-N -1 0 342.399 2.558 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000846147482 1280053626 /nfs/dbraw/zinc/05/36/26/1280053626.db2.gz RADOAGBXIJQUIS-UHFFFAOYSA-N -1 0 348.733 2.546 20 30 EFEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC000872006985 1287395004 /nfs/dbraw/zinc/39/50/04/1287395004.db2.gz DZNYYRLAIRBBHO-LLVKDONJSA-N -1 0 332.372 2.639 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1N1CCCC1 ZINC000872011435 1287397834 /nfs/dbraw/zinc/39/78/34/1287397834.db2.gz NTDLRUFETHOBQQ-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000846541310 1280235923 /nfs/dbraw/zinc/23/59/23/1280235923.db2.gz GGBCARLZJGTVSI-ZDUSSCGKSA-N -1 0 329.400 2.823 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000846541934 1280236514 /nfs/dbraw/zinc/23/65/14/1280236514.db2.gz QBBDLAWMUNBMMT-ZDUSSCGKSA-N -1 0 346.456 2.907 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846542703 1280237521 /nfs/dbraw/zinc/23/75/21/1280237521.db2.gz GJRMJRGJILFUEZ-ZWNOBZJWSA-N -1 0 335.795 2.567 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000846541933 1280237605 /nfs/dbraw/zinc/23/76/05/1280237605.db2.gz QBBDLAWMUNBMMT-CYBMUJFWSA-N -1 0 346.456 2.907 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000846543573 1280238531 /nfs/dbraw/zinc/23/85/31/1280238531.db2.gz LLUWIKMROUGYGY-NVXWUHKLSA-N -1 0 347.459 2.831 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000846543572 1280239458 /nfs/dbraw/zinc/23/94/58/1280239458.db2.gz LLUWIKMROUGYGY-DOTOQJQBSA-N -1 0 347.459 2.831 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846547379 1280240390 /nfs/dbraw/zinc/24/03/90/1280240390.db2.gz KZEDMUXPDWHYLQ-ZBFHGGJFSA-N -1 0 334.416 2.950 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000846547408 1280240690 /nfs/dbraw/zinc/24/06/90/1280240690.db2.gz AABHIQKISXIVAY-ZQIUZPCESA-N -1 0 330.428 2.608 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000846546532 1280242005 /nfs/dbraw/zinc/24/20/05/1280242005.db2.gz CPNIXHTXCUJCDK-ZVWUFJHRSA-N -1 0 340.782 2.621 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C ZINC000846550090 1280244643 /nfs/dbraw/zinc/24/46/43/1280244643.db2.gz UVNQOMMXVBYUOW-LBPRGKRZSA-N -1 0 348.428 2.829 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000846537620 1280251648 /nfs/dbraw/zinc/25/16/48/1280251648.db2.gz IDQJHFYKISSMHM-VIFPVBQESA-N -1 0 332.169 2.979 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000846538036 1280252224 /nfs/dbraw/zinc/25/22/24/1280252224.db2.gz MRDUDCITXQTCTF-VIFPVBQESA-N -1 0 331.199 2.736 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1-c1ccc(F)cc1 ZINC000747210186 1280366864 /nfs/dbraw/zinc/36/68/64/1280366864.db2.gz KJFNCLVFMVHWGM-UHFFFAOYSA-N -1 0 348.341 2.952 20 30 EFEDRM N#CCSCCCOC(=O)c1nn(-c2ccc(F)cc2)cc1O ZINC000805542206 1280612038 /nfs/dbraw/zinc/61/20/38/1280612038.db2.gz JEOKPWZWUHIRMJ-UHFFFAOYSA-N -1 0 335.360 2.521 20 30 EFEDRM Cc1nc2c(cccc2C([O-])=C(C#N)C(=O)NCc2ccccc2)o1 ZINC000805853474 1280813534 /nfs/dbraw/zinc/81/35/34/1280813534.db2.gz KBCDKCCJAXQHFH-OAHLLOKOSA-N -1 0 333.347 2.775 20 30 EFEDRM C[C@@H](Cc1cncc2ccccc21)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000805898536 1280856907 /nfs/dbraw/zinc/85/69/07/1280856907.db2.gz OHDFSMWMJSYXML-SUMWQHHRSA-N -1 0 346.390 2.739 20 30 EFEDRM CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)CCCC#N)c2c1 ZINC000805910838 1280866692 /nfs/dbraw/zinc/86/66/92/1280866692.db2.gz ZVZGYMSNAZORCR-UHFFFAOYSA-N -1 0 334.397 2.920 20 30 EFEDRM COC(=O)c1ccc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806561821 1281095620 /nfs/dbraw/zinc/09/56/20/1281095620.db2.gz AJXLKUAGAIDCPV-QSYFUGGGSA-N -1 0 326.304 2.904 20 30 EFEDRM CNC(=O)c1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806563458 1281096066 /nfs/dbraw/zinc/09/60/66/1281096066.db2.gz XICDFNQKTGJOCT-SHRNQRGKSA-N -1 0 335.359 2.884 20 30 EFEDRM COC(=O)c1cc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)c[nH]1 ZINC000806560678 1281096093 /nfs/dbraw/zinc/09/60/93/1281096093.db2.gz NSSNVYMBECHZBN-JBNJFFQFSA-N -1 0 325.320 2.640 20 30 EFEDRM COC(=O)c1cc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)c[nH]1 ZINC000806560680 1281096515 /nfs/dbraw/zinc/09/65/15/1281096515.db2.gz NSSNVYMBECHZBN-MUAYPFOZSA-N -1 0 325.320 2.640 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(-n2ccnn2)c1 ZINC000806575605 1281100501 /nfs/dbraw/zinc/10/05/01/1281100501.db2.gz HTDDAQILSZHIIS-ALCCZGGFSA-N -1 0 336.307 2.777 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000123992945 1287473022 /nfs/dbraw/zinc/47/30/22/1287473022.db2.gz ZMNNSIGNNRZSCE-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000123995470 1287474555 /nfs/dbraw/zinc/47/45/55/1287474555.db2.gz CDCLHHBJDJHITB-UHFFFAOYSA-N -1 0 345.424 2.824 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000123993923 1287473340 /nfs/dbraw/zinc/47/33/40/1287473340.db2.gz BABIMIWDLDEHQZ-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM N[C@@](C(=O)[N-]OCCC(F)(F)F)(c1cccc(F)c1)C(F)(F)F ZINC000807288953 1281272305 /nfs/dbraw/zinc/27/23/05/1281272305.db2.gz DXWNZNUROHEWPJ-LLVKDONJSA-N -1 0 348.218 2.542 20 30 EFEDRM C=CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccncc1 ZINC000747395611 1281305906 /nfs/dbraw/zinc/30/59/06/1281305906.db2.gz QQCBCQQNZOMWEJ-JTQLQIEISA-N -1 0 338.483 2.748 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114459 1281541924 /nfs/dbraw/zinc/54/19/24/1281541924.db2.gz ZFWGWAOXDSCKNL-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(C)c2)cc1 ZINC000103640073 1281618679 /nfs/dbraw/zinc/61/86/79/1281618679.db2.gz RQYISWLOBGAEFH-INIZCTEOSA-N -1 0 340.354 2.782 20 30 EFEDRM N#CNC(=NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccncc1 ZINC001148811832 1281770193 /nfs/dbraw/zinc/77/01/93/1281770193.db2.gz NHHMJDZUGJWVHV-UHFFFAOYSA-N -1 0 335.150 2.752 20 30 EFEDRM CC(=O)Nc1ccc(Cl)c(C(=O)N(O)C(=N)c2ccccc2N)c1 ZINC001148858336 1281785830 /nfs/dbraw/zinc/78/58/30/1281785830.db2.gz BPKHRRKIGPNISB-UHFFFAOYSA-N -1 0 346.774 2.738 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979003 1281981679 /nfs/dbraw/zinc/98/16/79/1281981679.db2.gz SSVNSCGCICVRRO-LBPRGKRZSA-N -1 0 327.306 2.729 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979002 1281981686 /nfs/dbraw/zinc/98/16/86/1281981686.db2.gz SSVNSCGCICVRRO-GFCCVEGCSA-N -1 0 327.306 2.729 20 30 EFEDRM Cn1cc(N2CC[C@H](CN=Nc3ccc(Cl)c(C(=O)[O-])c3)C2)cn1 ZINC000872325869 1287540915 /nfs/dbraw/zinc/54/09/15/1287540915.db2.gz KEYGXUHSBOINNE-LLVKDONJSA-N -1 0 347.806 2.696 20 30 EFEDRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)sc21 ZINC000808996418 1281996933 /nfs/dbraw/zinc/99/69/33/1281996933.db2.gz GBAIYRHSXMCAJZ-UHFFFAOYSA-N -1 0 336.438 2.819 20 30 EFEDRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)sc21 ZINC000808998250 1281998141 /nfs/dbraw/zinc/99/81/41/1281998141.db2.gz BWVLRLBOGURDLU-UHFFFAOYSA-N -1 0 334.422 2.573 20 30 EFEDRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)sc21 ZINC000809000363 1281998602 /nfs/dbraw/zinc/99/86/02/1281998602.db2.gz OSYARBCCYKFJSB-UHFFFAOYSA-N -1 0 348.449 2.963 20 30 EFEDRM CC(C)OCCNN=Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC000872364829 1287552860 /nfs/dbraw/zinc/55/28/60/1287552860.db2.gz UUAJEGOULRIURX-UHFFFAOYSA-N -1 0 328.438 2.839 20 30 EFEDRM COc1cccc(CCC(=O)Nc2cc(C#N)ccc2[O-])c1OC ZINC000748002812 1287553522 /nfs/dbraw/zinc/55/35/22/1287553522.db2.gz SDYBWLSGBNLIJX-UHFFFAOYSA-N -1 0 326.352 2.852 20 30 EFEDRM Cc1c(NN=Cc2nc(C3OCCO3)cs2)cccc1C(=O)[O-] ZINC000872386854 1287560164 /nfs/dbraw/zinc/56/01/64/1287560164.db2.gz FQVMSRPQNRTNNI-UHFFFAOYSA-N -1 0 333.369 2.641 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNC[C@H]2CCCC2(F)F)c1 ZINC000872408485 1287566628 /nfs/dbraw/zinc/56/66/28/1287566628.db2.gz YPQSMDCGMVEPIL-CYBMUJFWSA-N -1 0 326.343 2.899 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1 ZINC000810526608 1283320393 /nfs/dbraw/zinc/32/03/93/1283320393.db2.gz CYKBLBOTXKHFKK-QGZVFWFLSA-N -1 0 326.396 2.729 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccn1C ZINC000810708782 1283548452 /nfs/dbraw/zinc/54/84/52/1283548452.db2.gz YODAPPYGIAPKIT-CYBMUJFWSA-N -1 0 345.349 2.505 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(Nc2ccccc2)c1 ZINC000810782747 1283585883 /nfs/dbraw/zinc/58/58/83/1283585883.db2.gz UIWAMLKTKOBGOL-UHFFFAOYSA-N -1 0 328.393 2.513 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000810779781 1283586125 /nfs/dbraw/zinc/58/61/25/1283586125.db2.gz AJMTVTBWJJSYEN-UHFFFAOYSA-N -1 0 341.388 2.977 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1SCC=C(C)C ZINC000810780857 1283586551 /nfs/dbraw/zinc/58/65/51/1283586551.db2.gz UQOCVRQWYITVFF-UHFFFAOYSA-N -1 0 337.466 2.828 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000810785356 1283587805 /nfs/dbraw/zinc/58/78/05/1283587805.db2.gz KNCOUFHZRIBIAI-UHFFFAOYSA-N -1 0 343.832 2.511 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000810773111 1283630825 /nfs/dbraw/zinc/63/08/25/1283630825.db2.gz SCEVHJAXFRWFHJ-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000810773471 1283631495 /nfs/dbraw/zinc/63/14/95/1283631495.db2.gz GLCZRKJMIXYNPS-PKNBQFBNSA-N -1 0 345.342 2.578 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000810774283 1283633182 /nfs/dbraw/zinc/63/31/82/1283633182.db2.gz WNEOGSBOOOPDFM-UHFFFAOYSA-N -1 0 339.844 2.621 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000810775025 1283633857 /nfs/dbraw/zinc/63/38/57/1283633857.db2.gz VYNFRBSVFMOHNE-UHFFFAOYSA-N -1 0 337.485 2.842 20 30 EFEDRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1)C1CCC1 ZINC000747632506 1283691300 /nfs/dbraw/zinc/69/13/00/1283691300.db2.gz FDYBCIBPHMJMJL-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000810835347 1283718727 /nfs/dbraw/zinc/71/87/27/1283718727.db2.gz BJYMTRDWNHYWIS-UHFFFAOYSA-N -1 0 347.823 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2scnc2C2CCCC2)CC1 ZINC000810981315 1283874230 /nfs/dbraw/zinc/87/42/30/1283874230.db2.gz PWLCQINUWLLFJN-UHFFFAOYSA-N -1 0 340.470 2.969 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000810981574 1283885343 /nfs/dbraw/zinc/88/53/43/1283885343.db2.gz SCAABQHLWASCJN-OAHLLOKOSA-N -1 0 332.425 2.629 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)CC1 ZINC000810981705 1283885436 /nfs/dbraw/zinc/88/54/36/1283885436.db2.gz HDTYNVBLHOVRSO-UHFFFAOYSA-N -1 0 325.455 2.724 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000810981573 1283885857 /nfs/dbraw/zinc/88/58/57/1283885857.db2.gz SCAABQHLWASCJN-HNNXBMFYSA-N -1 0 332.425 2.629 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cn(C)c3ccccc23)CC1 ZINC000810980592 1283886073 /nfs/dbraw/zinc/88/60/73/1283886073.db2.gz CGLYHENZRSDKIU-ZDUSSCGKSA-N -1 0 346.452 2.837 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000810981613 1283886132 /nfs/dbraw/zinc/88/61/32/1283886132.db2.gz UEAFAEFXUFHOOY-QFBILLFUSA-N -1 0 345.464 2.835 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000810981393 1283886837 /nfs/dbraw/zinc/88/68/37/1283886837.db2.gz BKQAGTPRUWLNRE-LBPRGKRZSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCOc2ccccc2)CC1 ZINC000810982047 1283907302 /nfs/dbraw/zinc/90/73/02/1283907302.db2.gz KQPVDZQMVFAOIZ-AWEZNQCLSA-N -1 0 337.441 2.646 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2c(C)cccc2C)CC1 ZINC000810982835 1283907310 /nfs/dbraw/zinc/90/73/10/1283907310.db2.gz ZGKMFZUOIHDTFT-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000810982484 1283907328 /nfs/dbraw/zinc/90/73/28/1283907328.db2.gz RPNSFDCBMXEKQT-WDEREUQCSA-N -1 0 339.379 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccccc3C)CCC2)CC1 ZINC000810983464 1283907414 /nfs/dbraw/zinc/90/74/14/1283907414.db2.gz TWGLFPGBNPGHRT-UHFFFAOYSA-N -1 0 333.453 2.971 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000810980992 1283907633 /nfs/dbraw/zinc/90/76/33/1283907633.db2.gz JMTOYEAYWOMMCS-UHFFFAOYSA-N -1 0 338.410 2.571 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000810981123 1283908118 /nfs/dbraw/zinc/90/81/18/1283908118.db2.gz MJCWRFQTSHAHNW-WDEREUQCSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000810985649 1283913633 /nfs/dbraw/zinc/91/36/33/1283913633.db2.gz PBNVVJAGIHNOPR-UHFFFAOYSA-N -1 0 347.358 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2cccc(C)c2C)CC1 ZINC000810985227 1283913693 /nfs/dbraw/zinc/91/36/93/1283913693.db2.gz CVIGRFNTLFAEGH-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000810985528 1283913996 /nfs/dbraw/zinc/91/39/96/1283913996.db2.gz OJIQUGJYZUPMBG-UHFFFAOYSA-N -1 0 343.832 2.582 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000810986590 1283914004 /nfs/dbraw/zinc/91/40/04/1283914004.db2.gz GKOJFEBLFBXQHI-UHFFFAOYSA-N -1 0 330.409 2.646 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2ccc(C)s2)CC1 ZINC000810986022 1283914867 /nfs/dbraw/zinc/91/48/67/1283914867.db2.gz WTDZVWJLTREEGK-UHFFFAOYSA-N -1 0 327.471 2.934 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000810986964 1283914918 /nfs/dbraw/zinc/91/49/18/1283914918.db2.gz UEASPBLMHJDXEI-GFCCVEGCSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000810988640 1283915257 /nfs/dbraw/zinc/91/52/57/1283915257.db2.gz UYVNHRXNUODZKM-LLVKDONJSA-N -1 0 343.832 2.662 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC000810988884 1283915447 /nfs/dbraw/zinc/91/54/47/1283915447.db2.gz ZRXXBHGLOIBFQX-UHFFFAOYSA-N -1 0 325.405 2.658 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000810988546 1283915505 /nfs/dbraw/zinc/91/55/05/1283915505.db2.gz RPLACYNURPLGQF-UHFFFAOYSA-N -1 0 332.425 2.655 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000810986968 1283915537 /nfs/dbraw/zinc/91/55/37/1283915537.db2.gz UFZOIMBQAPUICL-UHFFFAOYSA-N -1 0 330.409 2.850 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000810987558 1283915566 /nfs/dbraw/zinc/91/55/66/1283915566.db2.gz PVKFCTYMQIMPEU-UHFFFAOYSA-N -1 0 342.420 2.917 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(SC)ccc2C)CC1 ZINC000810988624 1283915583 /nfs/dbraw/zinc/91/55/83/1283915583.db2.gz UBCGEWOXKPOROS-UHFFFAOYSA-N -1 0 325.455 2.885 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2sc(C(C)(C)C)nc2C)CC1 ZINC000810988336 1283915644 /nfs/dbraw/zinc/91/56/44/1283915644.db2.gz HDHTZGNTYCBORK-UHFFFAOYSA-N -1 0 342.486 2.917 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2cc(C)ccc2Cl)CC1 ZINC000810989064 1283916458 /nfs/dbraw/zinc/91/64/58/1283916458.db2.gz YXYRAPLAEIMWCC-UHFFFAOYSA-N -1 0 343.832 2.582 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC000810988436 1283916815 /nfs/dbraw/zinc/91/68/15/1283916815.db2.gz QBGGYHNXFNOSAO-UHFFFAOYSA-N -1 0 332.381 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000810988234 1283917311 /nfs/dbraw/zinc/91/73/11/1283917311.db2.gz MOWQWBKZDZRHDK-ZDUSSCGKSA-N -1 0 339.844 2.925 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000810988296 1283917274 /nfs/dbraw/zinc/91/72/74/1283917274.db2.gz GQBOMPSTVAXLRI-UHFFFAOYSA-N -1 0 337.441 2.890 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2c[nH]c3cc(C)ccc23)CC1 ZINC000810988023 1283917287 /nfs/dbraw/zinc/91/72/87/1283917287.db2.gz HTHVERJCGWCDHA-UHFFFAOYSA-N -1 0 346.452 2.964 20 30 EFEDRM N#Cc1csc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811514434 1284390078 /nfs/dbraw/zinc/39/00/78/1284390078.db2.gz KPHUIMOCTJVLKM-JTQLQIEISA-N -1 0 331.363 2.510 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000811628649 1284443471 /nfs/dbraw/zinc/44/34/71/1284443471.db2.gz HDWCJUAUYKJHEG-JTQLQIEISA-N -1 0 335.408 2.535 20 30 EFEDRM Cc1nnc(NN=Cc2c(Cl)cc(Cl)cc2N(C)C)[n-]c1=O ZINC000811632550 1284445060 /nfs/dbraw/zinc/44/50/60/1284445060.db2.gz UABDFHSBRJELBH-UHFFFAOYSA-N -1 0 341.202 2.704 20 30 EFEDRM COc1nccnc1N=NC1CCCCc2cc(C(=O)[O-])ccc21 ZINC000811647239 1284479682 /nfs/dbraw/zinc/47/96/82/1284479682.db2.gz BYOXTMIKQPHZPQ-UHFFFAOYSA-N -1 0 326.356 2.726 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000811664474 1284493467 /nfs/dbraw/zinc/49/34/67/1284493467.db2.gz DWVZPEZYKPHBPB-CABCVRRESA-N -1 0 342.395 2.930 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000811664476 1284493535 /nfs/dbraw/zinc/49/35/35/1284493535.db2.gz DWVZPEZYKPHBPB-HUUCEWRRSA-N -1 0 342.395 2.930 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2C(F)(F)F)C(=O)O1 ZINC000811685238 1284512747 /nfs/dbraw/zinc/51/27/47/1284512747.db2.gz MNQUAZJTESUNGV-ZZKXABKFSA-N -1 0 330.283 2.995 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1F ZINC000811831067 1284661305 /nfs/dbraw/zinc/66/13/05/1284661305.db2.gz RPZRUXLNYUQUEP-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000811830542 1284661965 /nfs/dbraw/zinc/66/19/65/1284661965.db2.gz STEPCFLHMIMSNN-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000811830404 1284662124 /nfs/dbraw/zinc/66/21/24/1284662124.db2.gz NJFMRMOKHMGRFI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM O=C1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1F ZINC000812444956 1285139990 /nfs/dbraw/zinc/13/99/90/1285139990.db2.gz PVXWWVMKXLQYLS-WDDBSPGISA-N -1 0 343.314 2.664 20 30 EFEDRM N#CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000813056993 1285618518 /nfs/dbraw/zinc/61/85/18/1285618518.db2.gz FGUJHHOVPCHUFD-UHFFFAOYSA-N -1 0 327.214 2.554 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)c2ccccc12 ZINC000813072393 1285656586 /nfs/dbraw/zinc/65/65/86/1285656586.db2.gz GNQIEEFZJUPALS-UHFFFAOYSA-N -1 0 346.408 2.737 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000813197843 1285726748 /nfs/dbraw/zinc/72/67/48/1285726748.db2.gz QELQPOIRXOWPTR-UHFFFAOYSA-N -1 0 329.368 2.847 20 30 EFEDRM O=C([N-]C[C@H](O)c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000813625746 1286014144 /nfs/dbraw/zinc/01/41/44/1286014144.db2.gz WWSLMZDJVJISKU-QMMMGPOBSA-N -1 0 333.203 2.755 20 30 EFEDRM C#C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)CCC)C(C)(C)C ZINC000813779107 1286114113 /nfs/dbraw/zinc/11/41/13/1286114113.db2.gz DDVAUAGEBSMACR-HNNXBMFYSA-N -1 0 336.457 2.616 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)c1 ZINC000813981231 1286231163 /nfs/dbraw/zinc/23/11/63/1286231163.db2.gz VOEBRHGWZXLVIH-UHFFFAOYSA-N -1 0 335.429 2.509 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814021984 1286241811 /nfs/dbraw/zinc/24/18/11/1286241811.db2.gz RTTLZWJKJNUBCH-RDJZCZTQSA-N -1 0 339.457 2.813 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814023497 1286245407 /nfs/dbraw/zinc/24/54/07/1286245407.db2.gz YDUYNJNTZIKAFE-OAHLLOKOSA-N -1 0 325.430 2.567 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1cccc(OCCCc2ccccc2)c1 ZINC000814232858 1286429457 /nfs/dbraw/zinc/42/94/57/1286429457.db2.gz OTTGHAZWLKGVJR-UHFFFAOYSA-N -1 0 338.367 2.583 20 30 EFEDRM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C=NOCC1CC1 ZINC000814244090 1286439146 /nfs/dbraw/zinc/43/91/46/1286439146.db2.gz DHNRMTOUTUIKRQ-UHFFFAOYSA-N -1 0 330.306 2.987 20 30 EFEDRM COC(=O)c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)n1C ZINC000814689629 1286936201 /nfs/dbraw/zinc/93/62/01/1286936201.db2.gz BPZYRZNGWRSDPP-UHFFFAOYSA-N -1 0 335.747 2.609 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814729873 1286951726 /nfs/dbraw/zinc/95/17/26/1286951726.db2.gz FCRRNRGIWCQQLB-XWUBHJNHSA-N -1 0 325.478 2.906 20 30 EFEDRM O=C([O-])C1CC(=NNC(=S)Nc2ccccc2C(F)(F)F)C1 ZINC000814716301 1286960797 /nfs/dbraw/zinc/96/07/97/1286960797.db2.gz HOLNWAKUCIMZIL-UHFFFAOYSA-N -1 0 331.319 2.842 20 30 EFEDRM CC(C)(C)c1ncc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cn1 ZINC000814724273 1286968682 /nfs/dbraw/zinc/96/86/82/1286968682.db2.gz UCZSZAPPWBMQHG-UHFFFAOYSA-N -1 0 330.339 2.555 20 30 EFEDRM CO[C@H]1C[C@H](c2ccccc2)CCC1N=Nc1nnc(C)c(=O)[n-]1 ZINC000814734700 1286975354 /nfs/dbraw/zinc/97/53/54/1286975354.db2.gz HJNWTHSCXSGOQK-HIFRSBDPSA-N -1 0 327.388 2.636 20 30 EFEDRM CCCNC(=S)NN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814761228 1287006661 /nfs/dbraw/zinc/00/66/61/1287006661.db2.gz IONMHZYUXZNNST-UHFFFAOYSA-N -1 0 347.440 2.966 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ncccn1 ZINC000814797338 1287028273 /nfs/dbraw/zinc/02/82/73/1287028273.db2.gz GTTWRUGZZWRDLZ-CYBMUJFWSA-N -1 0 328.372 2.749 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502253 1287043639 /nfs/dbraw/zinc/04/36/39/1287043639.db2.gz JOFLLQJMTQAHOK-UHFFFAOYSA-N -1 0 329.316 2.860 20 30 EFEDRM Cc1nc(C#N)c(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)o1 ZINC000814812909 1287048417 /nfs/dbraw/zinc/04/84/17/1287048417.db2.gz QKOIJAYERHPOFO-JTQLQIEISA-N -1 0 328.328 2.543 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C ZINC000814821677 1287054772 /nfs/dbraw/zinc/05/47/72/1287054772.db2.gz FQOAIXMPSPMVON-JGVFFNPUSA-N -1 0 339.383 2.526 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C ZINC000814821676 1287054882 /nfs/dbraw/zinc/05/48/82/1287054882.db2.gz FQOAIXMPSPMVON-HTQZYQBOSA-N -1 0 339.383 2.526 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814831707 1287078545 /nfs/dbraw/zinc/07/85/45/1287078545.db2.gz NLPJALRPRPPJSP-NHYWBVRUSA-N -1 0 329.425 2.831 20 30 EFEDRM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)c(N)c1 ZINC000814847757 1287096446 /nfs/dbraw/zinc/09/64/46/1287096446.db2.gz BVMQZZGEOCXAQD-UHFFFAOYSA-N -1 0 345.794 2.531 20 30 EFEDRM CC(=NN=C(C)c1cnccn1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814860458 1287104320 /nfs/dbraw/zinc/10/43/20/1287104320.db2.gz HERDQKJBZBBEHG-CYBMUJFWSA-N -1 0 326.356 2.562 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1C1CCOCC1 ZINC001174674649 1287109648 /nfs/dbraw/zinc/10/96/48/1287109648.db2.gz FCKDOISNBYPTIL-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM CC(N=Nc1ccncc1Cl)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814869022 1287109974 /nfs/dbraw/zinc/10/99/74/1287109974.db2.gz QMTUWBKFMJESRR-LLVKDONJSA-N -1 0 333.775 2.845 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)c(C#N)c1 ZINC001174680323 1287111081 /nfs/dbraw/zinc/11/10/81/1287111081.db2.gz UTGKMVICTVLDSS-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ncccc1[N+](=O)[O-] ZINC000814870452 1287111931 /nfs/dbraw/zinc/11/19/31/1287111931.db2.gz COPABBGQNLBDRF-UHFFFAOYSA-N -1 0 326.312 2.841 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174685849 1287114401 /nfs/dbraw/zinc/11/44/01/1287114401.db2.gz BIEWQZISIUEZQA-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1ccc(N=NCc2cc(C(=O)[O-])c(C)cc2C)nc1 ZINC000814887463 1287127368 /nfs/dbraw/zinc/12/73/68/1287127368.db2.gz RHPLFFJXFSQOSW-UHFFFAOYSA-N -1 0 327.340 2.629 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)nc1 ZINC000814888764 1287128715 /nfs/dbraw/zinc/12/87/15/1287128715.db2.gz OPECTHRYSPNKLN-JQWIXIFHSA-N -1 0 333.388 2.793 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)nc1 ZINC000814888765 1287129295 /nfs/dbraw/zinc/12/92/95/1287129295.db2.gz OPECTHRYSPNKLN-PWSUYJOCSA-N -1 0 333.388 2.793 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cccc(S(C)(=O)=O)c1 ZINC000814894445 1287134510 /nfs/dbraw/zinc/13/45/10/1287134510.db2.gz MQHXGLBYVSWDJM-UHFFFAOYSA-N -1 0 346.408 2.851 20 30 EFEDRM CC(=NNc1cccc(S(C)(=O)=O)c1)c1csc(C(=O)[O-])c1 ZINC000814896005 1287136905 /nfs/dbraw/zinc/13/69/05/1287136905.db2.gz CVWJRSKVQFIUKE-UHFFFAOYSA-N -1 0 338.410 2.686 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@@H]1CCCOC1 ZINC000814907905 1287148846 /nfs/dbraw/zinc/14/88/46/1287148846.db2.gz CDSQFYGSCOAUCN-MRXNPFEDSA-N -1 0 334.416 2.617 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@H]1CCSC1 ZINC000814933118 1287165350 /nfs/dbraw/zinc/16/53/50/1287165350.db2.gz DZCUYCHMTHSAMF-ZFWWWQNUSA-N -1 0 336.457 2.942 20 30 EFEDRM CC[C@H](NN=C(C)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000814936693 1287166311 /nfs/dbraw/zinc/16/63/11/1287166311.db2.gz GGDQKEBPZVQOEY-LBPRGKRZSA-N -1 0 331.185 2.959 20 30 EFEDRM CC[C@@H](NN=C1COc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000814937100 1287167916 /nfs/dbraw/zinc/16/79/16/1287167916.db2.gz UXJCTNVBGAFYLI-MRXNPFEDSA-N -1 0 340.379 2.815 20 30 EFEDRM CC(C)N1c2ccccc2C(=N[N-]c2nc(-c3cccnc3)no2)C1=O ZINC000814947917 1287178273 /nfs/dbraw/zinc/17/82/73/1287178273.db2.gz QCPLDPMUWVIZNP-UHFFFAOYSA-N -1 0 348.366 2.703 20 30 EFEDRM Cc1csc2nc(C)c(C=N[N-]c3nc(-c4cccnc4)no3)n12 ZINC000814950357 1287181638 /nfs/dbraw/zinc/18/16/38/1287181638.db2.gz CDYSOLHDSVYVOP-UHFFFAOYSA-N -1 0 339.384 2.904 20 30 EFEDRM CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NNCC(=O)[O-] ZINC000814960032 1287188850 /nfs/dbraw/zinc/18/88/50/1287188850.db2.gz HXUOTSYVNXMULU-UHFFFAOYSA-N -1 0 334.807 2.831 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815793258 1287840001 /nfs/dbraw/zinc/84/00/01/1287840001.db2.gz OQJFASHWXWHYJI-LBPRGKRZSA-N -1 0 347.440 2.725 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000815877734 1287863983 /nfs/dbraw/zinc/86/39/83/1287863983.db2.gz DSMZWYUZTKBKSL-UYSNPLJNSA-N -1 0 344.411 2.957 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815904358 1287875286 /nfs/dbraw/zinc/87/52/86/1287875286.db2.gz CXVRYWCMJGCJMV-AWEZNQCLSA-N -1 0 331.416 2.888 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2ncoc2C2CC2)c1 ZINC000815907342 1287877138 /nfs/dbraw/zinc/87/71/38/1287877138.db2.gz YPNLTKXYGCICTK-CYBMUJFWSA-N -1 0 325.324 2.522 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1 ZINC000815909093 1287878874 /nfs/dbraw/zinc/87/88/74/1287878874.db2.gz QPILTMPCFOAWIZ-LLVKDONJSA-N -1 0 325.324 2.522 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C)oc1C ZINC000815909297 1287879734 /nfs/dbraw/zinc/87/97/34/1287879734.db2.gz WWHPRVROHVKVIG-GFCCVEGCSA-N -1 0 327.340 2.651 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000815922716 1287893454 /nfs/dbraw/zinc/89/34/54/1287893454.db2.gz YRZRUVXKHJXKAP-GFCCVEGCSA-N -1 0 338.396 2.615 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000815926598 1287894022 /nfs/dbraw/zinc/89/40/22/1287894022.db2.gz VZWVVIDZJVLTQY-UHFFFAOYSA-N -1 0 327.352 2.631 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815912966 1287905128 /nfs/dbraw/zinc/90/51/28/1287905128.db2.gz DRMCCAWXEKNSFH-LLVKDONJSA-N -1 0 340.301 2.808 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C(F)=C/C2CCCCC2)CCCC1 ZINC000816008635 1287932899 /nfs/dbraw/zinc/93/28/99/1287932899.db2.gz AASKXCSDIDVIGX-UVTDQMKNSA-N -1 0 342.436 2.950 20 30 EFEDRM N#Cc1cc(Nc2cnn(CC(=O)[O-])c2)ccc1N1CCCCC1 ZINC001176270966 1287936208 /nfs/dbraw/zinc/93/62/08/1287936208.db2.gz MNDRPUZSFPVHCR-UHFFFAOYSA-N -1 0 325.372 2.573 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C)c1ccccc1 ZINC000816039551 1287950923 /nfs/dbraw/zinc/95/09/23/1287950923.db2.gz ZARPPVKQKKANNH-SJORKVTESA-N -1 0 346.390 2.852 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(/C=C/C(=O)[O-])cc2)nc1C#N ZINC001176593359 1288029126 /nfs/dbraw/zinc/02/91/26/1288029126.db2.gz BAHVZNVOZIBYHJ-ZZXKWVIFSA-N -1 0 325.715 2.715 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000816409727 1288117670 /nfs/dbraw/zinc/11/76/70/1288117670.db2.gz ZVXDZAZSILLDSX-UHFFFAOYSA-N -1 0 334.715 2.793 20 30 EFEDRM CCc1ccc(C#CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000816601824 1288221401 /nfs/dbraw/zinc/22/14/01/1288221401.db2.gz XPGOBHBNFDTKSD-UHFFFAOYSA-N -1 0 332.363 2.730 20 30 EFEDRM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177369396 1288405798 /nfs/dbraw/zinc/40/57/98/1288405798.db2.gz OUTDESZAHAASQD-ZDUSSCGKSA-N -1 0 342.395 2.708 20 30 EFEDRM O=C(C#Cc1cccnc1)Nc1ccc(F)c(Br)c1[O-] ZINC001177778022 1288526085 /nfs/dbraw/zinc/52/60/85/1288526085.db2.gz DDUNPZZIJWBGSO-UHFFFAOYSA-N -1 0 335.132 2.679 20 30 EFEDRM CC(=NN[C@@H]1CCC[C@H]1O)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000817338908 1288558599 /nfs/dbraw/zinc/55/85/99/1288558599.db2.gz OOIGTZFGKCLBIQ-HUUCEWRRSA-N -1 0 330.384 2.595 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(CC(=O)[O-])cc2)c1C ZINC000863189239 1302551307 /nfs/dbraw/zinc/55/13/07/1302551307.db2.gz FHLUBBMAFGECBG-CMDGGOBGSA-N -1 0 342.395 2.670 20 30 EFEDRM N#Cc1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c([O-])cc1F ZINC001178805735 1288916659 /nfs/dbraw/zinc/91/66/59/1288916659.db2.gz HEZYCWFWYHNKIV-MRXNPFEDSA-N -1 0 325.299 2.859 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3nonc32)cc1Cl ZINC000753017844 1288923410 /nfs/dbraw/zinc/92/34/10/1288923410.db2.gz QVWNRDATYJQKCU-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)CC3(C(=O)[O-])CCC3)sc2C1 ZINC000872868973 1289434755 /nfs/dbraw/zinc/43/47/55/1289434755.db2.gz JEODYDRGDVZSTE-SNVBAGLBSA-N -1 0 348.424 2.707 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](CC(=O)NOCC(=C)C)c1ccc(C)cc1 ZINC000824028943 1289515375 /nfs/dbraw/zinc/51/53/75/1289515375.db2.gz XSTYIOBIYQHDFN-KRWDZBQOSA-N -1 0 346.427 2.717 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)c1OC ZINC000805854456 1289537016 /nfs/dbraw/zinc/53/70/16/1289537016.db2.gz WATISLRSXGVYSW-HNNXBMFYSA-N -1 0 344.411 2.784 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000824112869 1289545582 /nfs/dbraw/zinc/54/55/82/1289545582.db2.gz BHHRKJUUNXCQPY-SNVBAGLBSA-N -1 0 341.333 2.535 20 30 EFEDRM Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(C#N)cc2O)CC1=O ZINC001180675047 1289603887 /nfs/dbraw/zinc/60/38/87/1289603887.db2.gz ZMOBWPOHXQTBLW-OAHLLOKOSA-N -1 0 349.390 2.872 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccccc1 ZINC000091443718 1290077212 /nfs/dbraw/zinc/07/72/12/1290077212.db2.gz YMBUFQVQFQVRRP-UHFFFAOYSA-N -1 0 335.429 2.910 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2cc(C#N)ccc2[O-])C2(CC2)C1 ZINC001232674899 1312757392 /nfs/dbraw/zinc/75/73/92/1312757392.db2.gz GOXUAJANGBGMDK-UHFFFAOYSA-N -1 0 343.427 2.849 20 30 EFEDRM CSCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000124742786 1290133361 /nfs/dbraw/zinc/13/33/61/1290133361.db2.gz FAGRYTCDOQWJIQ-UHFFFAOYSA-N -1 0 346.861 2.550 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCNC(=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC001232681706 1312760641 /nfs/dbraw/zinc/76/06/41/1312760641.db2.gz UPNXIZVZQBZREO-KRWDZBQOSA-N -1 0 341.798 2.590 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1cncc(N2CCCC2)n1 ZINC000795573859 1290444464 /nfs/dbraw/zinc/44/44/64/1290444464.db2.gz GODRCKXJWCYRHI-UHFFFAOYSA-N -1 0 326.466 2.789 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2F)cc1C(=O)[O-] ZINC001184696218 1290495061 /nfs/dbraw/zinc/49/50/61/1290495061.db2.gz RXELWQMARRIJPP-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2ccc(C#N)cc2)c1 ZINC001184708123 1290496984 /nfs/dbraw/zinc/49/69/84/1290496984.db2.gz JSPRXFNCKJAHED-UHFFFAOYSA-N -1 0 345.380 2.701 20 30 EFEDRM CC(C)Cn1ncc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1C1CC1 ZINC000091887755 1290591204 /nfs/dbraw/zinc/59/12/04/1290591204.db2.gz FJYUPDIDEZJVNF-UHFFFAOYSA-N -1 0 339.461 2.851 20 30 EFEDRM CSc1ncc([O-])c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC001185161984 1290604560 /nfs/dbraw/zinc/60/45/60/1290604560.db2.gz XIEYWDCGBKNUSY-UHFFFAOYSA-N -1 0 331.401 2.585 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185196069 1290625708 /nfs/dbraw/zinc/62/57/08/1290625708.db2.gz ZZYAHMACLFBIAR-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM C=CCCc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(=O)[nH]1 ZINC001185364086 1290658664 /nfs/dbraw/zinc/65/86/64/1290658664.db2.gz CAXSDSOYNSVQCQ-UHFFFAOYSA-N -1 0 327.315 2.874 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C ZINC001185796135 1290765074 /nfs/dbraw/zinc/76/50/74/1290765074.db2.gz ZFIJOBOPXRPHQZ-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C#N)c1 ZINC001185837341 1290768917 /nfs/dbraw/zinc/76/89/17/1290768917.db2.gz XFDBUJNCPKPFKU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000092693801 1290821235 /nfs/dbraw/zinc/82/12/35/1290821235.db2.gz FRXQHDWPNGITMB-UHFFFAOYSA-N -1 0 347.440 2.555 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1C#N ZINC001185998650 1290826789 /nfs/dbraw/zinc/82/67/89/1290826789.db2.gz AWHURLBALNSUBG-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)cnn1C(C)C ZINC000092715997 1290891188 /nfs/dbraw/zinc/89/11/88/1290891188.db2.gz MUITYSMDYSZYKZ-UHFFFAOYSA-N -1 0 339.392 2.913 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186263640 1290916858 /nfs/dbraw/zinc/91/68/58/1290916858.db2.gz ZBRRYVCDHJWCBY-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)s1 ZINC001187105410 1291093081 /nfs/dbraw/zinc/09/30/81/1291093081.db2.gz ASCHQJQDKZFFAM-UHFFFAOYSA-N -1 0 344.830 2.783 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1oc(-c2ccccc2)cc1C#N ZINC001187333331 1291147096 /nfs/dbraw/zinc/14/70/96/1291147096.db2.gz HUMWKHCZDBSKPJ-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)c(C#N)c1 ZINC001187376968 1291153483 /nfs/dbraw/zinc/15/34/83/1291153483.db2.gz TUFHKVPJMPTAHO-UHFFFAOYSA-N -1 0 346.412 2.646 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1cc(C#N)ccc1C(F)(F)F ZINC001187377423 1291153550 /nfs/dbraw/zinc/15/35/50/1291153550.db2.gz YPAIRMBHTZRRCU-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2nccs2)c(Br)c1 ZINC001187847397 1291246372 /nfs/dbraw/zinc/24/63/72/1291246372.db2.gz JCDGIODGPVEIOX-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1O ZINC001187969374 1291275019 /nfs/dbraw/zinc/27/50/19/1291275019.db2.gz ORYXYNOBSNVLCQ-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188040258 1291286940 /nfs/dbraw/zinc/28/69/40/1291286940.db2.gz RVKFNZGJGHAIBA-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)co2)C1=O ZINC000877964647 1291431534 /nfs/dbraw/zinc/43/15/34/1291431534.db2.gz RSFBKHZUTSCVIJ-KRWDZBQOSA-N -1 0 335.404 2.904 20 30 EFEDRM Cc1nc(N2CCC([N-]C(=O)C(F)(F)F)CC2)c(Cl)cc1C#N ZINC001166894658 1312862602 /nfs/dbraw/zinc/86/26/02/1312862602.db2.gz HAZQTNNCFCLCAH-UHFFFAOYSA-N -1 0 346.740 2.562 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189108917 1291571113 /nfs/dbraw/zinc/57/11/13/1291571113.db2.gz MUBVBZWODANMGY-UHFFFAOYSA-N -1 0 336.800 2.902 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c1 ZINC001189191499 1291605729 /nfs/dbraw/zinc/60/57/29/1291605729.db2.gz KYIUMVPLGBJSDN-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1N1CCNC1=O ZINC000775230727 1291645897 /nfs/dbraw/zinc/64/58/97/1291645897.db2.gz GNRUUEHBFWEMSZ-UHFFFAOYSA-N -1 0 340.339 2.889 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000775246369 1291720650 /nfs/dbraw/zinc/72/06/50/1291720650.db2.gz SWBGZCQBCGGKJE-GJZGRUSLSA-N -1 0 333.494 2.998 20 30 EFEDRM N#Cc1cncc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC001189499553 1291737916 /nfs/dbraw/zinc/73/79/16/1291737916.db2.gz XPFPPVZZAGXADS-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC000775279494 1291784784 /nfs/dbraw/zinc/78/47/84/1291784784.db2.gz YTUMFQLJIGCUSQ-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM CCOC(=O)CCCCCNC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001189665622 1291810559 /nfs/dbraw/zinc/81/05/59/1291810559.db2.gz NROFNKAFBHZSCF-UHFFFAOYSA-N -1 0 337.351 2.648 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000775297884 1291833082 /nfs/dbraw/zinc/83/30/82/1291833082.db2.gz BMHWUBGEKGITFC-UHFFFAOYSA-N -1 0 331.393 2.646 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC001189773198 1291852226 /nfs/dbraw/zinc/85/22/26/1291852226.db2.gz FCTQPNRMTXMINN-UHFFFAOYSA-N -1 0 329.353 2.543 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189781587 1291857921 /nfs/dbraw/zinc/85/79/21/1291857921.db2.gz FZIOZIFFAPPOKH-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2ccc([S-])cc2)[C@H](C#N)C1 ZINC001233259361 1312887279 /nfs/dbraw/zinc/88/72/79/1312887279.db2.gz PCYZRODDMDKVMW-CQSZACIVSA-N -1 0 333.457 2.920 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2Cc3ccc(F)cc32)n1 ZINC000796069405 1291922495 /nfs/dbraw/zinc/92/24/95/1291922495.db2.gz WRWMFYDDGRXXAK-KBPBESRZSA-N -1 0 344.367 2.650 20 30 EFEDRM N#Cc1ccnnc1NC(=O)c1cc(Br)ccc1[S-] ZINC001189952333 1291945309 /nfs/dbraw/zinc/94/53/09/1291945309.db2.gz WPUYDUYKWPOINW-UHFFFAOYSA-N -1 0 335.186 2.652 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189957543 1291947291 /nfs/dbraw/zinc/94/72/91/1291947291.db2.gz RCQLPPGLAVZAES-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190174446 1292039715 /nfs/dbraw/zinc/03/97/15/1292039715.db2.gz XRZOZNIYJGZQJS-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182531 1292049304 /nfs/dbraw/zinc/04/93/04/1292049304.db2.gz BIAPIDGODDKWJO-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127678496 1292076815 /nfs/dbraw/zinc/07/68/15/1292076815.db2.gz PXFMTMDZXRVQBL-NWDGAFQWSA-N -1 0 335.429 2.623 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(Cl)c1 ZINC001190352646 1292131114 /nfs/dbraw/zinc/13/11/14/1292131114.db2.gz BUQHBNRKCGEDFT-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190387188 1292141305 /nfs/dbraw/zinc/14/13/05/1292141305.db2.gz GAHVHUIPWPLZPS-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1C#N ZINC001190390468 1292145091 /nfs/dbraw/zinc/14/50/91/1292145091.db2.gz NSLYVIHYJOUCJM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2cc(F)cc(F)c2F)C1 ZINC001190410720 1292168211 /nfs/dbraw/zinc/16/82/11/1292168211.db2.gz FMUITWKXUKVIJW-UHFFFAOYSA-N -1 0 333.331 2.655 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cc1 ZINC001190432265 1292172099 /nfs/dbraw/zinc/17/20/99/1292172099.db2.gz SQVIARGGJJCOOH-UHFFFAOYSA-N -1 0 330.413 2.837 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203319816 1312907277 /nfs/dbraw/zinc/90/72/77/1312907277.db2.gz XORLPSIPDDYZOG-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C#N)cc1C#N ZINC001190469525 1292186892 /nfs/dbraw/zinc/18/68/92/1292186892.db2.gz NSPSRAUVLJILLK-UHFFFAOYSA-N -1 0 338.392 2.812 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC001190616522 1292227788 /nfs/dbraw/zinc/22/77/88/1292227788.db2.gz VDKXOYVTKJXIRV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1cc(C#N)ccc1F)CCC2 ZINC001190616581 1292228296 /nfs/dbraw/zinc/22/82/96/1292228296.db2.gz YFACVHKHKZXBFB-UHFFFAOYSA-N -1 0 347.396 2.920 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)c1 ZINC001190619247 1292228781 /nfs/dbraw/zinc/22/87/81/1292228781.db2.gz CHZXQGNXGPRRFH-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c1 ZINC001190617321 1292229193 /nfs/dbraw/zinc/22/91/93/1292229193.db2.gz GKGDBMVTMZMSAU-UHFFFAOYSA-N -1 0 327.287 2.831 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)cnc2Cl)c1 ZINC001190617100 1292229446 /nfs/dbraw/zinc/22/94/46/1292229446.db2.gz DEFVCCNNOZKYIH-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001190617442 1292229464 /nfs/dbraw/zinc/22/94/64/1292229464.db2.gz KHYHQBURYSKLNS-UHFFFAOYSA-N -1 0 333.300 2.746 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(OC)c1 ZINC001190608668 1292248506 /nfs/dbraw/zinc/24/85/06/1292248506.db2.gz YPYRJZDKYPWLRC-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C2CCC2)C(F)(F)F)c1 ZINC001190664287 1292251475 /nfs/dbraw/zinc/25/14/75/1292251475.db2.gz DYBAPZGUXDVZDT-GFCCVEGCSA-N -1 0 336.310 2.707 20 30 EFEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647750 1292264085 /nfs/dbraw/zinc/26/40/85/1292264085.db2.gz JKBFZACDDXWVGP-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190651238 1292264559 /nfs/dbraw/zinc/26/45/59/1292264559.db2.gz XVNRTKSFUBQYQM-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)c1 ZINC001190651000 1292264749 /nfs/dbraw/zinc/26/47/49/1292264749.db2.gz RONKSHHIFCCSQK-UHFFFAOYSA-N -1 0 330.340 2.627 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650914 1292265080 /nfs/dbraw/zinc/26/50/80/1292265080.db2.gz OFTKOQNFBOXVTE-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650998 1292265276 /nfs/dbraw/zinc/26/52/76/1292265276.db2.gz RKSAXOAHJQBBIO-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655965 1292268352 /nfs/dbraw/zinc/26/83/52/1292268352.db2.gz QUYUPRUDSBKPHE-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C2OCCO2)c1 ZINC001190657494 1292271025 /nfs/dbraw/zinc/27/10/25/1292271025.db2.gz CFWJLIPDUNBBOO-UHFFFAOYSA-N -1 0 348.355 2.544 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C(=O)OC)c(C)c2C#N)CC1 ZINC001190765823 1292304870 /nfs/dbraw/zinc/30/48/70/1292304870.db2.gz HTSJJYSVMKFWSK-UHFFFAOYSA-N -1 0 340.426 2.565 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2oc(C3CC3)nc2C(=O)OCC)CC1 ZINC001190773677 1292308036 /nfs/dbraw/zinc/30/80/36/1292308036.db2.gz MBHQMHYQCXQMBS-UHFFFAOYSA-N -1 0 340.401 2.579 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2ncc(Cl)cc2C(=O)OCC)CC1 ZINC001190772560 1292308304 /nfs/dbraw/zinc/30/83/04/1292308304.db2.gz ATANVMQFNYWGMO-UHFFFAOYSA-N -1 0 344.820 2.762 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccncc2)cc(C(F)(F)F)c1 ZINC001190893365 1292368219 /nfs/dbraw/zinc/36/82/19/1292368219.db2.gz GMDXAPOZBPSEOD-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)n1 ZINC001190937847 1292377425 /nfs/dbraw/zinc/37/74/25/1292377425.db2.gz ZHTOUKYMGBZDHA-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190939307 1292377877 /nfs/dbraw/zinc/37/78/77/1292377877.db2.gz ZTLGBAXQAVCKCN-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(F)ccc2F)c1 ZINC001190939167 1292378017 /nfs/dbraw/zinc/37/80/17/1292378017.db2.gz RROFSSYCSOFSQU-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cn3ccccc3n2)c1 ZINC001190939258 1292378373 /nfs/dbraw/zinc/37/83/73/1292378373.db2.gz XJFGMXFMOUZCCY-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CCOc1ccncc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937738 1292378542 /nfs/dbraw/zinc/37/85/42/1292378542.db2.gz SLLMTBMRUPBNOU-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cl)cc2O)c1 ZINC001190937498 1292379167 /nfs/dbraw/zinc/37/91/67/1292379167.db2.gz NXNUUMYSSALJCH-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnc1C ZINC001190942421 1292379554 /nfs/dbraw/zinc/37/95/54/1292379554.db2.gz GPHFPSOQXMHYEA-UHFFFAOYSA-N -1 0 349.799 2.919 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn3ccccc23)c1 ZINC001190943277 1292381386 /nfs/dbraw/zinc/38/13/86/1292381386.db2.gz YYCNLVCWUNPSGQ-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)[C@@H](F)CC1CCCCC1)cc2=O ZINC000796208685 1292405326 /nfs/dbraw/zinc/40/53/26/1292405326.db2.gz KGWJSQDGGOYGTM-AWEZNQCLSA-N -1 0 346.362 2.658 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C#N)c1 ZINC001190971445 1292405704 /nfs/dbraw/zinc/40/57/04/1292405704.db2.gz KEVHAWSFTBSQAJ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CCCCCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001191106670 1292466379 /nfs/dbraw/zinc/46/63/79/1292466379.db2.gz KMXHMPJBHMREFV-UHFFFAOYSA-N -1 0 328.434 2.888 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)cn1 ZINC001191671034 1292595676 /nfs/dbraw/zinc/59/56/76/1292595676.db2.gz KLNLSCSYCXXIHG-UHFFFAOYSA-N -1 0 330.409 2.996 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2nnccc2C#N)c1Cl ZINC001191730555 1292644663 /nfs/dbraw/zinc/64/46/63/1292644663.db2.gz GIRBLQIAPYSMJV-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866980 1292699881 /nfs/dbraw/zinc/69/98/81/1292699881.db2.gz STROCCFESFSNDH-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#Cc1c(F)ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1F ZINC001192034047 1292755778 /nfs/dbraw/zinc/75/57/78/1292755778.db2.gz AHRDHSXXWZRNMI-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192040975 1292756748 /nfs/dbraw/zinc/75/67/48/1292756748.db2.gz PULWNYUSVZHNLO-UHFFFAOYSA-N -1 0 347.582 2.775 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC001192139062 1292807245 /nfs/dbraw/zinc/80/72/45/1292807245.db2.gz AOIZKCMRVGZNKY-UHFFFAOYSA-N -1 0 347.367 2.625 20 30 EFEDRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccsc3C#N)c2)o1 ZINC001192226954 1292840042 /nfs/dbraw/zinc/84/00/42/1292840042.db2.gz LAGPZUKOTXMTHU-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001192361231 1292879377 /nfs/dbraw/zinc/87/93/77/1292879377.db2.gz TWWIGVZVBHZJRO-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C#N)c1 ZINC001192572311 1292952555 /nfs/dbraw/zinc/95/25/55/1292952555.db2.gz UKKGSQCNWFEFNT-UHFFFAOYSA-N -1 0 349.799 2.919 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2c([O-])ccc(F)c2F)c1 ZINC001192765188 1293028750 /nfs/dbraw/zinc/02/87/50/1293028750.db2.gz TUEWCTZDEIRIOH-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cnc3n2CCCC3)s1 ZINC000903632486 1312973370 /nfs/dbraw/zinc/97/33/70/1312973370.db2.gz SBNWJPAZTNJWGL-UHFFFAOYSA-N -1 0 336.442 2.516 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C#N)cccc2OC)c1 ZINC001192821678 1293064124 /nfs/dbraw/zinc/06/41/24/1293064124.db2.gz URWKTQBZDGGIMM-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2ccc([O-])c(F)c2F)CC1 ZINC001192829094 1293067505 /nfs/dbraw/zinc/06/75/05/1293067505.db2.gz ZXIVUNWKLDLGMT-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192853934 1293082255 /nfs/dbraw/zinc/08/22/55/1293082255.db2.gz YFUUYLDOLSNDCL-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897215 1293092796 /nfs/dbraw/zinc/09/27/96/1293092796.db2.gz KBJOQZIHDOKIEZ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897333 1293093221 /nfs/dbraw/zinc/09/32/21/1293093221.db2.gz PIKHWWODDUXFAH-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001192982174 1293115705 /nfs/dbraw/zinc/11/57/05/1293115705.db2.gz HOFATAZELBSJMV-UHFFFAOYSA-N -1 0 336.188 2.527 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(Br)c2ccccc2c1 ZINC001192985633 1293116925 /nfs/dbraw/zinc/11/69/25/1293116925.db2.gz JZJIQQOXTOQFCI-UHFFFAOYSA-N -1 0 325.187 2.868 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2c(Br)cccc2c1 ZINC001193106463 1293171472 /nfs/dbraw/zinc/17/14/72/1293171472.db2.gz GBFHKUGYPICLNG-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2cc(Br)ccc2c1 ZINC001193106741 1293171528 /nfs/dbraw/zinc/17/15/28/1293171528.db2.gz JKLUOSPRDBPOGQ-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM CCOC(=O)c1sc2ccccc2c1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193105118 1293171574 /nfs/dbraw/zinc/17/15/74/1293171574.db2.gz QZTZQNWETGKQPQ-VIFPVBQESA-N -1 0 338.410 2.732 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1sc(Cc2ccccc2)cc1C#N ZINC001193106888 1293171748 /nfs/dbraw/zinc/17/17/48/1293171748.db2.gz ZWTZPYSIXUSPNE-NSHDSACASA-N -1 0 331.422 2.864 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)nn1-c1ccccc1 ZINC001193106270 1293171844 /nfs/dbraw/zinc/17/18/44/1293171844.db2.gz FFTBFJUQAXQEQH-VIFPVBQESA-N -1 0 344.318 2.545 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ccc(Br)cc2cn1 ZINC001193105868 1293171878 /nfs/dbraw/zinc/17/18/78/1293171878.db2.gz FTOAMJBBMYWFKO-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM COC(=O)c1oc2cccc(Cl)c2c1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193107404 1293172562 /nfs/dbraw/zinc/17/25/62/1293172562.db2.gz VJVMFGOJYYUWHZ-ZETCQYMHSA-N -1 0 342.760 2.527 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccn2cc(-c3ccccc3)nc2c1 ZINC001193111655 1293174058 /nfs/dbraw/zinc/17/40/58/1293174058.db2.gz KBBMMVVKMRDBMU-GFCCVEGCSA-N -1 0 326.381 2.655 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)(F)F ZINC001193146612 1293186101 /nfs/dbraw/zinc/18/61/01/1293186101.db2.gz PNQYVCKCBNOOGJ-LURJTMIESA-N -1 0 328.699 2.892 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(NC(=O)OC(C)(C)C)ccc1F ZINC001193157392 1293188272 /nfs/dbraw/zinc/18/82/72/1293188272.db2.gz DDJBRWWQEFUUFP-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)[C@H](C)C#N)cc1 ZINC001193157208 1293189030 /nfs/dbraw/zinc/18/90/30/1293189030.db2.gz BWQPUDITDLWOCB-GFCCVEGCSA-N -1 0 344.392 2.580 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc2ncccc12 ZINC001193158920 1293189075 /nfs/dbraw/zinc/18/90/75/1293189075.db2.gz WKRLENPDBUOPIP-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM CCOc1cc(Br)ccc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193159025 1293189743 /nfs/dbraw/zinc/18/97/43/1293189743.db2.gz YQIQYPAYNKCJJS-QMMMGPOBSA-N -1 0 333.207 2.502 20 30 EFEDRM CCOC(=O)/C=C/c1ccc(Cl)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193160304 1293189747 /nfs/dbraw/zinc/18/97/47/1293189747.db2.gz BTFYEHVGDHBFBF-BREXMAIKSA-N -1 0 342.804 2.570 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1-c1ccccc1 ZINC001193161173 1293190170 /nfs/dbraw/zinc/19/01/70/1293190170.db2.gz MOUJBMSUXBBQKY-GFCCVEGCSA-N -1 0 344.392 2.794 20 30 EFEDRM CC(C)Oc1cc(Br)ccc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193159039 1293190496 /nfs/dbraw/zinc/19/04/96/1293190496.db2.gz ZCUBJFNSOAYUSG-VIFPVBQESA-N -1 0 347.234 2.890 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c1 ZINC001193426329 1293304354 /nfs/dbraw/zinc/30/43/54/1293304354.db2.gz CTKDVVMRNNNCJU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C#N)c1 ZINC001193426657 1293305334 /nfs/dbraw/zinc/30/53/34/1293305334.db2.gz IXQSTRVIVNRNJF-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C3CCC3)cc2[n-]c1=S ZINC000130064050 1293310659 /nfs/dbraw/zinc/31/06/59/1293310659.db2.gz BVZWSWRLFORHNY-NSHDSACASA-N -1 0 343.452 2.790 20 30 EFEDRM COc1ccc(-c2cc(NC(=O)c3ccc([O-])c(C#N)c3)n(C)n2)cc1 ZINC001193498132 1293325993 /nfs/dbraw/zinc/32/59/93/1293325993.db2.gz HRYFIONRWHGSJY-UHFFFAOYSA-N -1 0 348.362 2.925 20 30 EFEDRM CC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1 ZINC001193504343 1293336079 /nfs/dbraw/zinc/33/60/79/1293336079.db2.gz QJGKDDIKXJEFFR-UHFFFAOYSA-N -1 0 344.411 2.848 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC(COc3cccnc3)CC2)ccc1[O-] ZINC001193507371 1293336968 /nfs/dbraw/zinc/33/69/68/1293336968.db2.gz VQJSBARYWIRVQH-UHFFFAOYSA-N -1 0 337.379 2.590 20 30 EFEDRM N#Cc1cc(C(=O)NCc2coc(-c3ccc(F)cc3)n2)ccc1[O-] ZINC001193519272 1293342442 /nfs/dbraw/zinc/34/24/42/1293342442.db2.gz VDMOBUPVAPDSJN-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634415 1293377470 /nfs/dbraw/zinc/37/74/70/1293377470.db2.gz WAMFNJRQYWCVJT-UHFFFAOYSA-N -1 0 346.770 2.822 20 30 EFEDRM Cc1ccc(C)c(N2CCN(C(=O)c3cccc(C#N)c3[O-])CC2)c1 ZINC001193635426 1293378286 /nfs/dbraw/zinc/37/82/86/1293378286.db2.gz UBSGDRDFHWVBFC-UHFFFAOYSA-N -1 0 335.407 2.843 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC001193636182 1293378605 /nfs/dbraw/zinc/37/86/05/1293378605.db2.gz MKOQYMFBTSUGKT-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC001193636299 1293378795 /nfs/dbraw/zinc/37/87/95/1293378795.db2.gz OVPUADATBIUBOO-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c1[O-] ZINC001193642732 1293383004 /nfs/dbraw/zinc/38/30/04/1293383004.db2.gz OFVHOZHTRGWSJW-UHFFFAOYSA-N -1 0 332.241 2.802 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001193644698 1293384539 /nfs/dbraw/zinc/38/45/39/1293384539.db2.gz OXKWAJWRFNJCPI-UHFFFAOYSA-N -1 0 343.408 2.641 20 30 EFEDRM CC(C)(C)c1nc2ccc(NC(=O)c3cccc(C#N)c3[O-])cn2n1 ZINC001193643126 1293384559 /nfs/dbraw/zinc/38/45/59/1293384559.db2.gz WYRKCRIYUFQMHX-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c1 ZINC001193644612 1293385365 /nfs/dbraw/zinc/38/53/65/1293385365.db2.gz LHNUKEGTMIKXAH-UHFFFAOYSA-N -1 0 339.323 2.700 20 30 EFEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc(O)c([O-])c(Cl)c3)c21 ZINC001193606171 1293390086 /nfs/dbraw/zinc/39/00/86/1293390086.db2.gz VLEWHVCWHKTPTQ-UHFFFAOYSA-N -1 0 328.715 2.751 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2cccc(C#N)c2[O-])c(C(C)=O)c1 ZINC001193652710 1293395520 /nfs/dbraw/zinc/39/55/20/1293395520.db2.gz MUSPMPUNEZGSEQ-UHFFFAOYSA-N -1 0 338.319 2.505 20 30 EFEDRM CCCc1ccnc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c1 ZINC001193654806 1293396939 /nfs/dbraw/zinc/39/69/39/1293396939.db2.gz ALUSHLZKTAIITR-UHFFFAOYSA-N -1 0 331.397 2.715 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)c1 ZINC001193653301 1293397141 /nfs/dbraw/zinc/39/71/41/1293397141.db2.gz FKIHAPFFYVPVPP-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(C#N)c3[O-])cc2)n1 ZINC001193657766 1293398221 /nfs/dbraw/zinc/39/82/21/1293398221.db2.gz DZTZDAZVOFPLME-UHFFFAOYSA-N -1 0 346.390 2.996 20 30 EFEDRM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H](C)CON)c1 ZINC001233823369 1312999106 /nfs/dbraw/zinc/99/91/06/1312999106.db2.gz QWOGCMGXCDTORJ-MMQHEFTJSA-N -1 0 343.379 2.955 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001193681391 1293407607 /nfs/dbraw/zinc/40/76/07/1293407607.db2.gz WJVKUKPRAJZCKD-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001193687961 1293410626 /nfs/dbraw/zinc/41/06/26/1293410626.db2.gz QDBXBXBKZFNMBZ-UHFFFAOYSA-N -1 0 345.355 2.687 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1ccc(F)c([O-])c1F ZINC001193770851 1293426169 /nfs/dbraw/zinc/42/61/69/1293426169.db2.gz ROSXGPMKOVMZQZ-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM N#Cc1c(F)ccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1F ZINC001194094575 1293529696 /nfs/dbraw/zinc/52/96/96/1293529696.db2.gz HCLMSNJXXUJWFM-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM N#Cc1ccc(F)c([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194094453 1293530205 /nfs/dbraw/zinc/53/02/05/1293530205.db2.gz AKWJRMCFRLZRGZ-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194100758 1293532198 /nfs/dbraw/zinc/53/21/98/1293532198.db2.gz MZSCGJSJPAMTDO-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1C#N ZINC001194224996 1293560918 /nfs/dbraw/zinc/56/09/18/1293560918.db2.gz AZXNQCVIFYQYDX-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C#N ZINC001194271400 1293576785 /nfs/dbraw/zinc/57/67/85/1293576785.db2.gz CMLKCMVGJPYUDZ-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM COC(=O)c1cc(C(=O)Nc2sc3ccccc3c2C#N)n[n-]1 ZINC001194282908 1293587533 /nfs/dbraw/zinc/58/75/33/1293587533.db2.gz IUZRPPYNYQUEQQ-UHFFFAOYSA-N -1 0 326.337 2.535 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194295047 1293592938 /nfs/dbraw/zinc/59/29/38/1293592938.db2.gz RPRWEAKLYKWVSE-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194456545 1293630438 /nfs/dbraw/zinc/63/04/38/1293630438.db2.gz YRDJRTJSEPRLMJ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(C#N)c1C ZINC001194537760 1293660735 /nfs/dbraw/zinc/66/07/35/1293660735.db2.gz DGAGYBXMIHJSIN-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC001194585595 1293673908 /nfs/dbraw/zinc/67/39/08/1293673908.db2.gz MWLCDZWEXQVYGS-UHFFFAOYSA-N -1 0 348.346 2.652 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21 ZINC001194705243 1293693628 /nfs/dbraw/zinc/69/36/28/1293693628.db2.gz GRIOUYPXBXNZED-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N ZINC001194720031 1293705102 /nfs/dbraw/zinc/70/51/02/1293705102.db2.gz MVIBKRKTHMTTJD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194799301 1293718867 /nfs/dbraw/zinc/71/88/67/1293718867.db2.gz LSUTYCXVBQWQBX-UHFFFAOYSA-N -1 0 346.330 2.830 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C#N)c(C)c1C ZINC001194839175 1293726696 /nfs/dbraw/zinc/72/66/96/1293726696.db2.gz QUCYMJSWCCSKOG-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)ccc1F ZINC001194978723 1293764694 /nfs/dbraw/zinc/76/46/94/1293764694.db2.gz KKSZVVMOJRCZKM-UHFFFAOYSA-N -1 0 327.340 2.551 20 30 EFEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000133490051 1293884718 /nfs/dbraw/zinc/88/47/18/1293884718.db2.gz VSIMFZYLZRIXPR-INIZCTEOSA-N -1 0 348.406 2.833 20 30 EFEDRM CC1(C)CC(=O)C=C(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)C1 ZINC001195311768 1293889716 /nfs/dbraw/zinc/88/97/16/1293889716.db2.gz XNUDTIYQSWXDKS-UHFFFAOYSA-N -1 0 331.265 2.951 20 30 EFEDRM Cc1cc(C#N)cc(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001195401995 1293908136 /nfs/dbraw/zinc/90/81/36/1293908136.db2.gz OMRXHYPXWHHUSC-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1c(Br)cccc1C#N ZINC001195487004 1293940684 /nfs/dbraw/zinc/94/06/84/1293940684.db2.gz PFLGXHACHAQTHN-UHFFFAOYSA-N -1 0 328.191 2.764 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2C)cn1 ZINC001195724834 1294001987 /nfs/dbraw/zinc/00/19/87/1294001987.db2.gz GURIYTOIDWAKKP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1noc2c1CCCC2 ZINC000903673064 1313044616 /nfs/dbraw/zinc/04/46/16/1313044616.db2.gz AODMPNJATZLACC-UHFFFAOYSA-N -1 0 337.788 2.879 20 30 EFEDRM COC(Cc1ccc(NC(=O)c2ccc(C#N)cc2[O-])cc1)OC ZINC001195757973 1294014474 /nfs/dbraw/zinc/01/44/74/1294014474.db2.gz IDCKZCQVOAKFRO-UHFFFAOYSA-N -1 0 326.352 2.678 20 30 EFEDRM CN1Cc2cc(NC(=O)c3ccc(C#N)cc3[O-])ccc2N(C)C1=O ZINC001195757460 1294014739 /nfs/dbraw/zinc/01/47/39/1294014739.db2.gz BVGQKTHNUYGMEF-UHFFFAOYSA-N -1 0 336.351 2.518 20 30 EFEDRM COCCOc1c(F)cccc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195757748 1294014908 /nfs/dbraw/zinc/01/49/08/1294014908.db2.gz GEWVWZWUKBRQSH-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195740322 1294025943 /nfs/dbraw/zinc/02/59/43/1294025943.db2.gz CRXUMLLWZBOKBE-UHFFFAOYSA-N -1 0 341.323 2.558 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)cc1Cl ZINC000903673519 1313046131 /nfs/dbraw/zinc/04/61/31/1313046131.db2.gz WOJKDITWVBSSKX-UHFFFAOYSA-N -1 0 337.788 2.879 20 30 EFEDRM Cn1cccc1-c1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])no1 ZINC001195999818 1294099678 /nfs/dbraw/zinc/09/96/78/1294099678.db2.gz XADNYMPCDWYFGP-UHFFFAOYSA-N -1 0 326.287 2.649 20 30 EFEDRM COc1ccc(-c2ccc(NC(=N[O-])c3nonc3N)cc2)cc1 ZINC001203947104 1313053319 /nfs/dbraw/zinc/05/33/19/1313053319.db2.gz DUIJHNOWKDZKIX-UHFFFAOYSA-N -1 0 325.328 2.575 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775688259 1294136847 /nfs/dbraw/zinc/13/68/47/1294136847.db2.gz OXBQELMBNBCHGQ-UHFFFAOYSA-N -1 0 341.798 2.880 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cccc(Br)n2)c1 ZINC001196307528 1294184379 /nfs/dbraw/zinc/18/43/79/1294184379.db2.gz FSGOKNLOWZWELZ-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)n2)cc1 ZINC001196314618 1294187158 /nfs/dbraw/zinc/18/71/58/1294187158.db2.gz YMYSNZVVPYFOBR-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196313365 1294187267 /nfs/dbraw/zinc/18/72/67/1294187267.db2.gz GKFMWVUTRMZKEK-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cccc(Br)n2)c1 ZINC001196274201 1294188207 /nfs/dbraw/zinc/18/82/07/1294188207.db2.gz IZQNJEDFDASFDT-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc2ccccc2cc1C ZINC001234105774 1313058461 /nfs/dbraw/zinc/05/84/61/1313058461.db2.gz LEANUEZLRMVWGB-MRXNPFEDSA-N -1 0 336.409 2.986 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c(F)c1 ZINC001196346622 1294206415 /nfs/dbraw/zinc/20/64/15/1294206415.db2.gz BJXAEYFJWJCZBX-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)n1 ZINC001196414506 1294239503 /nfs/dbraw/zinc/23/95/03/1294239503.db2.gz OQRAQDRUEMSDOG-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)o1 ZINC001196643696 1294302186 /nfs/dbraw/zinc/30/21/86/1294302186.db2.gz PJCVCFQNXXLJQN-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196643697 1294302389 /nfs/dbraw/zinc/30/23/89/1294302389.db2.gz PJYFOXCGYSORBK-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CSc1nccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196643397 1294302923 /nfs/dbraw/zinc/30/29/23/1294302923.db2.gz DFQIBXQCQWLUIQ-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196679868 1294313901 /nfs/dbraw/zinc/31/39/01/1294313901.db2.gz PAHXIYYQEKSNMF-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639903 1294314425 /nfs/dbraw/zinc/31/44/25/1294314425.db2.gz UMQBZHRJDZVHJK-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196679919 1294314464 /nfs/dbraw/zinc/31/44/64/1294314464.db2.gz QTMNLLTWIGLFOH-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cn1cnc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)ccc21 ZINC001196680550 1294315270 /nfs/dbraw/zinc/31/52/70/1294315270.db2.gz QGSWHEJFOVUSCX-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648374 1294318805 /nfs/dbraw/zinc/31/88/05/1294318805.db2.gz RTGZYLGNXZWIQK-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM CC(=O)c1ncccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650191 1294319131 /nfs/dbraw/zinc/31/91/31/1294319131.db2.gz IFPRFGIZVZCZES-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn2nccc2c1 ZINC001196649892 1294319288 /nfs/dbraw/zinc/31/92/88/1294319288.db2.gz BWDBILSQCUWAFH-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196649893 1294319771 /nfs/dbraw/zinc/31/97/71/1294319771.db2.gz BWMFPXNDWYZPMU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196649999 1294319785 /nfs/dbraw/zinc/31/97/85/1294319785.db2.gz DYSCHVOGZBVVMK-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccn2nccc12 ZINC001196651511 1294320167 /nfs/dbraw/zinc/32/01/67/1294320167.db2.gz DULVQPFSZHJVFQ-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1cccc2ncc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)n21 ZINC001196651322 1294320736 /nfs/dbraw/zinc/32/07/36/1294320736.db2.gz BVHQTSYYACFPQS-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001196675761 1294330326 /nfs/dbraw/zinc/33/03/26/1294330326.db2.gz MHXBSCBZFAJULG-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001196722297 1294342746 /nfs/dbraw/zinc/34/27/46/1294342746.db2.gz FRBDLCHPOZMMFJ-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM Cc1ccc(CO)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196689897 1294346432 /nfs/dbraw/zinc/34/64/32/1294346432.db2.gz CBZUXQWVBDFCBP-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC001196690678 1294346939 /nfs/dbraw/zinc/34/69/39/1294346939.db2.gz RPUYNVVECNVKFX-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)c(OC)c2)c1 ZINC001196763170 1294349946 /nfs/dbraw/zinc/34/99/46/1294349946.db2.gz PIMUWBRJANQCRZ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC001196763264 1294350971 /nfs/dbraw/zinc/35/09/71/1294350971.db2.gz QJRSJMLGHALKKP-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c1 ZINC001196765192 1294351756 /nfs/dbraw/zinc/35/17/56/1294351756.db2.gz XIBZOMVXCYSWRR-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1 ZINC001196779692 1294374767 /nfs/dbraw/zinc/37/47/67/1294374767.db2.gz XFSSFXVTFKYDMI-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM COc1nc(C(F)(F)F)c(C(=O)[N-]c2oc(C)nc2C#N)s1 ZINC001196832428 1294377622 /nfs/dbraw/zinc/37/76/22/1294377622.db2.gz SUQGVEHYPSIRMT-UHFFFAOYSA-N -1 0 332.263 2.591 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c(C)c1 ZINC001196885223 1294391870 /nfs/dbraw/zinc/39/18/70/1294391870.db2.gz HCFCAOUKFHUAMT-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc2c(n1)CC[C@H](C)C2 ZINC000903689451 1313071877 /nfs/dbraw/zinc/07/18/77/1313071877.db2.gz MLHDSYLLUSYCBK-NSHDSACASA-N -1 0 342.424 2.582 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1c(F)cccc1C#N ZINC001197029836 1294444861 /nfs/dbraw/zinc/44/48/61/1294444861.db2.gz QJUBMBJJXZGETQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)ccc1F ZINC001197030595 1294444904 /nfs/dbraw/zinc/44/49/04/1294444904.db2.gz DNDHMAQVPLXLLZ-UHFFFAOYSA-N -1 0 347.367 2.703 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000135975735 1294453155 /nfs/dbraw/zinc/45/31/55/1294453155.db2.gz VLKFPCMPXXGACY-ZDUSSCGKSA-N -1 0 333.384 2.991 20 30 EFEDRM N#Cc1ccccc1OCCNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197137497 1294456896 /nfs/dbraw/zinc/45/68/96/1294456896.db2.gz UABKDJSZEMOFMC-UHFFFAOYSA-N -1 0 341.392 2.622 20 30 EFEDRM C#C[C@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)[C@@H](CC)CCCC ZINC001234188978 1313077605 /nfs/dbraw/zinc/07/76/05/1313077605.db2.gz HNXBPFBFDAOVOY-RYUDHWBXSA-N -1 0 336.388 2.580 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c1 ZINC001197348576 1294506912 /nfs/dbraw/zinc/50/69/12/1294506912.db2.gz NOICEUVMMRLKIO-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)Nc2nnnn2C)c1 ZINC001197357985 1294509228 /nfs/dbraw/zinc/50/92/28/1294509228.db2.gz NRINJFUQXHQKRL-UHFFFAOYSA-N -1 0 345.403 2.711 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197649830 1294644731 /nfs/dbraw/zinc/64/47/31/1294644731.db2.gz RVDRUGDCTYDPOO-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM CCOC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000136507768 1294647269 /nfs/dbraw/zinc/64/72/69/1294647269.db2.gz RXVZZOOZRRPTOO-QPJJXVBHSA-N -1 0 331.280 2.966 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000137222562 1294721352 /nfs/dbraw/zinc/72/13/52/1294721352.db2.gz JCAYCZQDXBZHPJ-LLVKDONJSA-N -1 0 349.375 2.561 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197829613 1294756822 /nfs/dbraw/zinc/75/68/22/1294756822.db2.gz XBVDQXCZLHSROR-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1C#N ZINC001198104648 1294897961 /nfs/dbraw/zinc/89/79/61/1294897961.db2.gz GKRBCBZQVCVRPS-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233155 1294945220 /nfs/dbraw/zinc/94/52/20/1294945220.db2.gz JENYQBSGSKNPKC-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233699 1294945294 /nfs/dbraw/zinc/94/52/94/1294945294.db2.gz QQTUQTCHDBXMIH-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)ccc1F ZINC001198241493 1294952627 /nfs/dbraw/zinc/95/26/27/1294952627.db2.gz FSTWRIZCWMVJLH-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001198318831 1294989368 /nfs/dbraw/zinc/98/93/68/1294989368.db2.gz XQKSRWWDKSLRFY-UHFFFAOYSA-N -1 0 332.381 2.534 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C)cc1C#N ZINC001198693927 1295180842 /nfs/dbraw/zinc/18/08/42/1295180842.db2.gz WMAGNAGZCHUXLU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nccc(Oc2cccc(C#N)c2)n1 ZINC000886912057 1295209793 /nfs/dbraw/zinc/20/97/93/1295209793.db2.gz JPKIYZHOROYWRG-TZMCWYRMSA-N -1 0 338.367 2.830 20 30 EFEDRM Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778553 1295249433 /nfs/dbraw/zinc/24/94/33/1295249433.db2.gz GWAOMNVJJUNNFY-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(=O)OC(C)C ZINC001234511638 1313142273 /nfs/dbraw/zinc/14/22/73/1313142273.db2.gz SWRASOFZCDBUMK-AWEZNQCLSA-N -1 0 343.383 2.952 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)c(O)cc1F ZINC001198867858 1295309259 /nfs/dbraw/zinc/30/92/59/1295309259.db2.gz CQYATOZFEBJSOM-UHFFFAOYSA-N -1 0 332.312 2.950 20 30 EFEDRM CC(C)CCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234530250 1313147897 /nfs/dbraw/zinc/14/78/97/1313147897.db2.gz JMRIJZIJTNOVLX-LLVKDONJSA-N -1 0 329.356 2.564 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN2Cc2cc(F)c([O-])c(Cl)c2)C1=O ZINC001274083630 1295447665 /nfs/dbraw/zinc/44/76/65/1295447665.db2.gz ACRPAUJBBHITNX-KRWDZBQOSA-N -1 0 338.810 2.938 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccn(C3CCC3)c2=O)c([O-])cc1F ZINC001199492789 1295543534 /nfs/dbraw/zinc/54/35/34/1295543534.db2.gz RJOAIUIGCAVZQL-UHFFFAOYSA-N -1 0 327.315 2.542 20 30 EFEDRM CCOC(=O)c1cnc(C)c(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001199685524 1295681269 /nfs/dbraw/zinc/68/12/69/1295681269.db2.gz RQLRWEJIOZZDJI-UHFFFAOYSA-N -1 0 343.314 2.535 20 30 EFEDRM O=[N+]([O-])C[C@H](Oc1ccccc1C=N[O-])c1ccc2c(c1)OCO2 ZINC001234819844 1313194646 /nfs/dbraw/zinc/19/46/46/1313194646.db2.gz PPRKSCYKKJNLTA-INIZCTEOSA-N -1 0 330.296 2.620 20 30 EFEDRM CC#CC[C@H](CC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894812 1313204626 /nfs/dbraw/zinc/20/46/26/1313204626.db2.gz LXOWLTNWZAHESK-LBPRGKRZSA-N -1 0 341.367 2.602 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121564328 1296627396 /nfs/dbraw/zinc/62/73/96/1296627396.db2.gz WLJUOYFGABHFFH-SECBINFHSA-N -1 0 341.592 2.704 20 30 EFEDRM CCSCc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776139111 1296629245 /nfs/dbraw/zinc/62/92/45/1296629245.db2.gz VHRLHEPNTBKUFN-UHFFFAOYSA-N -1 0 340.470 2.549 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1C#N ZINC001201254714 1296637208 /nfs/dbraw/zinc/63/72/08/1296637208.db2.gz ZAIBDRMTBUVNSR-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(Cl)s1 ZINC000776142437 1296649097 /nfs/dbraw/zinc/64/90/97/1296649097.db2.gz MTCHNIDUKCZHHE-QMMMGPOBSA-N -1 0 334.850 2.501 20 30 EFEDRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142519 1296649163 /nfs/dbraw/zinc/64/91/63/1296649163.db2.gz MYWGHHCLVTZEIP-ZDUSSCGKSA-N -1 0 336.457 2.738 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201251811 1296661230 /nfs/dbraw/zinc/66/12/30/1296661230.db2.gz NBXHBMRYVBOLEC-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM C[C@H](Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776140592 1296669038 /nfs/dbraw/zinc/66/90/38/1296669038.db2.gz BYNUVTJIBIZTMO-LLVKDONJSA-N -1 0 342.848 2.514 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1C#N ZINC001201287307 1296681513 /nfs/dbraw/zinc/68/15/13/1296681513.db2.gz FERSSRAMHOGIFB-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201292038 1296685623 /nfs/dbraw/zinc/68/56/23/1296685623.db2.gz ABXPOSBVNUERMG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294637 1296708257 /nfs/dbraw/zinc/70/82/57/1296708257.db2.gz BONQPBDZDNAKTI-UHFFFAOYSA-N -1 0 344.440 2.973 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cnc1C ZINC001201295269 1296708350 /nfs/dbraw/zinc/70/83/50/1296708350.db2.gz OBMVTJYXEQPUDV-UHFFFAOYSA-N -1 0 329.381 2.574 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2OC(F)F)cc1C#N ZINC001201295388 1296709061 /nfs/dbraw/zinc/70/90/61/1296709061.db2.gz PVLLNJXLNHCPIL-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1C#N ZINC001201295554 1296710993 /nfs/dbraw/zinc/71/09/93/1296710993.db2.gz UTTLNLFQHKABPZ-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201315736 1296722843 /nfs/dbraw/zinc/72/28/43/1296722843.db2.gz JRAIYUOSOAMYTB-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1C#N ZINC001201323361 1296728081 /nfs/dbraw/zinc/72/80/81/1296728081.db2.gz BTVGIQCCYAAKAR-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121582851 1296843220 /nfs/dbraw/zinc/84/32/20/1296843220.db2.gz PBCWLZVXFFCKOB-VIFPVBQESA-N -1 0 343.608 2.950 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OCc2ccc(C(=O)[O-])cc2)C1 ZINC001205681270 1313336919 /nfs/dbraw/zinc/33/69/19/1313336919.db2.gz UNIAJGOIIOPPIU-LSDHHAIUSA-N -1 0 346.383 2.660 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2sc(Cl)nc2C)c(C#N)c1 ZINC001201756630 1297056127 /nfs/dbraw/zinc/05/61/27/1297056127.db2.gz ZFEDOCKLDXKEBO-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2sc(Cl)nc2C)cc1 ZINC001201764288 1297059637 /nfs/dbraw/zinc/05/96/37/1297059637.db2.gz DTBYAENYNKTJAI-UHFFFAOYSA-N -1 0 342.829 2.918 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cncc(C#N)n2)c(C)c1C ZINC001201792733 1297079857 /nfs/dbraw/zinc/07/98/57/1297079857.db2.gz PTLRVJOXYPBZIR-UHFFFAOYSA-N -1 0 330.413 2.691 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cn(C)nc2C#N)c(C)c1C ZINC001201792768 1297080730 /nfs/dbraw/zinc/08/07/30/1297080730.db2.gz QUANCASGYXQQBB-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001201736218 1297080789 /nfs/dbraw/zinc/08/07/89/1297080789.db2.gz SARMVSYLWFIZND-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM C=CCC[C@H](NC(=O)N(C)[C@@H](COCC)C(=O)[O-])c1ccccc1 ZINC000929044326 1297154933 /nfs/dbraw/zinc/15/49/33/1297154933.db2.gz LQHDVINMLQGQST-HOTGVXAUSA-N -1 0 334.416 2.825 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC000042291212 1297697324 /nfs/dbraw/zinc/69/73/24/1297697324.db2.gz ICCSDHWCWPSNQO-UHFFFAOYSA-N -1 0 333.369 2.661 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000042290464 1297697490 /nfs/dbraw/zinc/69/74/90/1297697490.db2.gz RIXXTXAFUAQOSQ-LBPRGKRZSA-N -1 0 338.385 2.713 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000042290467 1297697552 /nfs/dbraw/zinc/69/75/52/1297697552.db2.gz RIXXTXAFUAQOSQ-GFCCVEGCSA-N -1 0 338.385 2.713 20 30 EFEDRM C[C@@H](Sc1ccc(Br)cc1)C(=O)[N-]S(C)(=O)=O ZINC000048486746 1297759906 /nfs/dbraw/zinc/75/99/06/1297759906.db2.gz CYDFSGWEZJTHQB-SSDOTTSWSA-N -1 0 338.248 2.846 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ccncc2)c(F)c1 ZINC000075040204 1297808724 /nfs/dbraw/zinc/80/87/24/1297808724.db2.gz SLMRPTUYURGBCY-UHFFFAOYSA-N -1 0 340.401 2.967 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC001236055980 1313435329 /nfs/dbraw/zinc/43/53/29/1313435329.db2.gz UNQFFUWOEXVLQY-JZJYNLBNSA-N -1 0 338.392 2.833 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C(F)F)cc2)CCCC1 ZINC000779320549 1298204412 /nfs/dbraw/zinc/20/44/12/1298204412.db2.gz ZTIKTKHFRBSNGN-UHFFFAOYSA-N -1 0 342.367 2.768 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000779325748 1298207144 /nfs/dbraw/zinc/20/71/44/1298207144.db2.gz COYBFFKYEHTXTG-ZDUSSCGKSA-N -1 0 327.306 2.527 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1Br ZINC000191275611 1298251987 /nfs/dbraw/zinc/25/19/87/1298251987.db2.gz CEXVZYGQOWENGJ-UHFFFAOYSA-N -1 0 332.581 2.815 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)CCC1 ZINC000192249257 1298337528 /nfs/dbraw/zinc/33/75/28/1298337528.db2.gz KLVVZXVOWILOHC-UHFFFAOYSA-N -1 0 336.457 2.612 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCC(C)=N2)cc1 ZINC000193382094 1298432292 /nfs/dbraw/zinc/43/22/92/1298432292.db2.gz DWKYYWCMTTVAHQ-QGZVFWFLSA-N -1 0 340.427 2.901 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000193381986 1298432899 /nfs/dbraw/zinc/43/28/99/1298432899.db2.gz JBPNVUKXTDHNRU-ZDUSSCGKSA-N -1 0 342.374 2.640 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)s1 ZINC000193753588 1298486247 /nfs/dbraw/zinc/48/62/47/1298486247.db2.gz LBMLDQVCIRFXSF-HNNXBMFYSA-N -1 0 342.420 2.958 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000194484348 1298550715 /nfs/dbraw/zinc/55/07/15/1298550715.db2.gz GXXVFVPOVKRISA-HNNXBMFYSA-N -1 0 342.374 2.640 20 30 EFEDRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779843715 1298952092 /nfs/dbraw/zinc/95/20/92/1298952092.db2.gz CPMYCBBLJGYNMG-CYBMUJFWSA-N -1 0 346.408 2.925 20 30 EFEDRM Cc1nc(C(F)(F)F)ccc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054688 1299256236 /nfs/dbraw/zinc/25/62/36/1299256236.db2.gz HWPNIFCYGFRJCY-UHFFFAOYSA-N -1 0 336.335 2.986 20 30 EFEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056273 1299256385 /nfs/dbraw/zinc/25/63/85/1299256385.db2.gz UDEOTDUJAHLHAN-SECBINFHSA-N -1 0 333.356 2.961 20 30 EFEDRM C[C@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055522 1299256452 /nfs/dbraw/zinc/25/64/52/1299256452.db2.gz OROPAZQLPSZMTP-LBPRGKRZSA-N -1 0 344.477 2.690 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C1CCCCC1 ZINC000776518056 1299340170 /nfs/dbraw/zinc/34/01/70/1299340170.db2.gz USHFAWSKKQYATN-HNNXBMFYSA-N -1 0 328.416 2.642 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776519108 1299341794 /nfs/dbraw/zinc/34/17/94/1299341794.db2.gz YMXUACDYZDBTCL-NSHDSACASA-N -1 0 331.759 2.842 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000110057755 1299360839 /nfs/dbraw/zinc/36/08/39/1299360839.db2.gz KFFLBFXQWGJXKG-UHFFFAOYSA-N -1 0 348.362 2.858 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000776597221 1299715251 /nfs/dbraw/zinc/71/52/51/1299715251.db2.gz NRKKEQHPWOKMFT-YXVBKTCISA-N -1 0 329.805 2.650 20 30 EFEDRM C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757642 1299865943 /nfs/dbraw/zinc/86/59/43/1299865943.db2.gz ZLMKMBBYYNJTTR-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM COc1nccnc1N=NC(C)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000853334205 1300086942 /nfs/dbraw/zinc/08/69/42/1300086942.db2.gz UKSDCFXGVMYIDU-UHFFFAOYSA-N -1 0 344.371 2.807 20 30 EFEDRM CCCCCC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N ZINC000776695077 1300305364 /nfs/dbraw/zinc/30/53/64/1300305364.db2.gz YNGVQNFVITVZOJ-CQSZACIVSA-N -1 0 338.429 2.602 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160516 1300533726 /nfs/dbraw/zinc/53/37/26/1300533726.db2.gz VZJDLWAVBMPDFS-UHFFFAOYSA-N -1 0 334.419 2.822 20 30 EFEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1 ZINC000112222790 1300558873 /nfs/dbraw/zinc/55/88/73/1300558873.db2.gz SLTHVGWGEPONSQ-MRXNPFEDSA-N -1 0 336.395 2.562 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)c1 ZINC000088808169 1300633679 /nfs/dbraw/zinc/63/36/79/1300633679.db2.gz NIEPFFRJCAGRJH-UHFFFAOYSA-N -1 0 341.335 2.861 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(OCC)c(Cl)c1 ZINC000112483717 1300655277 /nfs/dbraw/zinc/65/52/77/1300655277.db2.gz UVXDWWUWCQNRKV-GFCCVEGCSA-N -1 0 337.807 2.763 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@]1(C)CC1(Br)Br ZINC000855027178 1300767807 /nfs/dbraw/zinc/76/78/07/1300767807.db2.gz YHPBPIBROHFKIH-MRVPVSSYSA-N -1 0 327.016 2.506 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC000855026816 1300768454 /nfs/dbraw/zinc/76/84/54/1300768454.db2.gz PVVVTEMSOGYNHP-LLVKDONJSA-N -1 0 338.408 2.588 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(C=Nn2ccccc2=O)cc1 ZINC000776792425 1300786864 /nfs/dbraw/zinc/78/68/64/1300786864.db2.gz RDIQVDPZPBUSHY-UHFFFAOYSA-N -1 0 338.319 2.601 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1cccc2cccnc21 ZINC000089492481 1300821838 /nfs/dbraw/zinc/82/18/38/1300821838.db2.gz KZGPZLBRBPHFMG-UHFFFAOYSA-N -1 0 345.380 2.728 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089970885 1300962076 /nfs/dbraw/zinc/96/20/76/1300962076.db2.gz HCCVINAEWGEUEP-JTQLQIEISA-N -1 0 332.447 2.818 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000089971927 1300962465 /nfs/dbraw/zinc/96/24/65/1300962465.db2.gz VWTMAAPNOYZOLI-HNNXBMFYSA-N -1 0 342.436 2.877 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237996195 1313742649 /nfs/dbraw/zinc/74/26/49/1313742649.db2.gz WYQXAFCOPDIQED-UHFFFAOYSA-N -1 0 328.771 2.625 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nncn1-c1ccccc1CC ZINC000856029826 1301210289 /nfs/dbraw/zinc/21/02/89/1301210289.db2.gz FNLIJGMYSVUBJM-UHFFFAOYSA-N -1 0 332.429 2.546 20 30 EFEDRM C=CCCO[N-]C(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000856030839 1301210599 /nfs/dbraw/zinc/21/05/99/1301210599.db2.gz STZWUNPMAIADEY-UHFFFAOYSA-N -1 0 336.388 2.648 20 30 EFEDRM C=CCCO[N-]C(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000856029068 1301211114 /nfs/dbraw/zinc/21/11/14/1301211114.db2.gz YHZNQSZOSMSHNW-UHFFFAOYSA-N -1 0 329.400 2.824 20 30 EFEDRM C=CCCO[N-]C(=O)COc1ccc(Br)cc1C(C)=O ZINC000856036168 1301211962 /nfs/dbraw/zinc/21/19/62/1301211962.db2.gz UGVLEYSFTLFMCB-UHFFFAOYSA-N -1 0 342.189 2.654 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000856034774 1301212032 /nfs/dbraw/zinc/21/20/32/1301212032.db2.gz UQKVSZYQRKAPRS-XHDPSFHLSA-N -1 0 340.782 2.622 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000856033058 1301212925 /nfs/dbraw/zinc/21/29/25/1301212925.db2.gz YWZADSBRGZWYHW-ZIAGYGMSSA-N -1 0 336.388 2.874 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117083014 1301658946 /nfs/dbraw/zinc/65/89/46/1301658946.db2.gz ZJNYAXPEAUAYQO-GOSISDBHSA-N -1 0 344.374 2.511 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000860682970 1301882132 /nfs/dbraw/zinc/88/21/32/1301882132.db2.gz JENSBSOIWWWXGY-UHFFFAOYSA-N -1 0 326.443 2.543 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000860855201 1301942939 /nfs/dbraw/zinc/94/29/39/1301942939.db2.gz UKYPBGRGEXOPKD-UHFFFAOYSA-N -1 0 328.821 2.616 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860871183 1301949853 /nfs/dbraw/zinc/94/98/53/1301949853.db2.gz XTINRXINPUUJJF-GXTWGEPZSA-N -1 0 338.429 2.745 20 30 EFEDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014506 1301990604 /nfs/dbraw/zinc/99/06/04/1301990604.db2.gz MVBFIPFYNAEVEL-MRXNPFEDSA-N -1 0 340.420 2.860 20 30 EFEDRM C[C@@H](SCc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119482875 1302632809 /nfs/dbraw/zinc/63/28/09/1302632809.db2.gz UGSQPAKEAVOJRF-TZMCWYRMSA-N -1 0 327.409 2.634 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794591443 1302791024 /nfs/dbraw/zinc/79/10/24/1302791024.db2.gz ZXZKSAMDQXDFMF-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccnc(F)c2)ccc1OCC(=O)[O-] ZINC000794722146 1303041142 /nfs/dbraw/zinc/04/11/42/1303041142.db2.gz OUEKCGNLKAFTLJ-DUXPYHPUSA-N -1 0 331.299 2.589 20 30 EFEDRM Cc1nc2sc3c(c2c([N-]N=C2C(=O)OC[C@H]2C)n1)CCCC3 ZINC000794869993 1303428721 /nfs/dbraw/zinc/42/87/21/1303428721.db2.gz HRMMETAORKEZEJ-MRVPVSSYSA-N -1 0 330.413 2.839 20 30 EFEDRM COc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2F)c1OC(C)=O ZINC001239257332 1313920172 /nfs/dbraw/zinc/92/01/72/1313920172.db2.gz ZJJNXKRWMHFSQN-UHFFFAOYSA-N -1 0 329.283 2.996 20 30 EFEDRM COC(=O)c1ccccc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794921765 1303654495 /nfs/dbraw/zinc/65/44/95/1303654495.db2.gz LXAJTFUWTCEHDD-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)s1 ZINC000794937677 1303728431 /nfs/dbraw/zinc/72/84/31/1303728431.db2.gz IBKUOEMKLVZHGH-IWQZZHSRSA-N -1 0 329.333 2.673 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCc2ccccc2N(C)C)c1)C(=O)[O-] ZINC000794949133 1303794500 /nfs/dbraw/zinc/79/45/00/1303794500.db2.gz JVMGTMPYYDYEHB-CQSZACIVSA-N -1 0 341.411 2.728 20 30 EFEDRM C=CCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000849237965 1335574182 /nfs/dbraw/zinc/57/41/82/1335574182.db2.gz LXXGUKIRAJIXBF-AWEZNQCLSA-N -1 0 341.205 2.624 20 30 EFEDRM CC(C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000122405174 1304606630 /nfs/dbraw/zinc/60/66/30/1304606630.db2.gz UCJGJZLTCRGGJP-ZDUSSCGKSA-N -1 0 327.409 2.905 20 30 EFEDRM Cc1cc(OCC(=O)C(C#N)=C([O-])c2nccn2C)ccc1C(C)C ZINC000122589972 1304778643 /nfs/dbraw/zinc/77/86/43/1304778643.db2.gz GKAXSJQCXGNKJD-INIZCTEOSA-N -1 0 339.395 2.823 20 30 EFEDRM Cc1ccc(OCCCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)c1 ZINC000122608095 1304811885 /nfs/dbraw/zinc/81/18/85/1304811885.db2.gz UIKZWGKKPRNVJI-HNNXBMFYSA-N -1 0 339.395 2.788 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccc(F)cc1 ZINC000122719749 1304911277 /nfs/dbraw/zinc/91/12/77/1304911277.db2.gz JJCUVDWHPDTFGM-CYBMUJFWSA-N -1 0 331.372 2.633 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccc(F)cc1 ZINC000122719543 1304911668 /nfs/dbraw/zinc/91/16/68/1304911668.db2.gz JJCUVDWHPDTFGM-ZDUSSCGKSA-N -1 0 331.372 2.633 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1ccc(Cl)cc1 ZINC000122793213 1304987585 /nfs/dbraw/zinc/98/75/85/1304987585.db2.gz ZDPASHDPDHVQRP-CQSZACIVSA-N -1 0 345.786 2.824 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000122796302 1304988885 /nfs/dbraw/zinc/98/88/85/1304988885.db2.gz HZLGMPUOZYXDKO-CYBMUJFWSA-N -1 0 347.321 2.546 20 30 EFEDRM CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122798796 1304990015 /nfs/dbraw/zinc/99/00/15/1304990015.db2.gz GECZNXNHWZTWBI-UKRRQHHQSA-N -1 0 339.395 2.904 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000122812557 1305016224 /nfs/dbraw/zinc/01/62/24/1305016224.db2.gz VSDVTUKIFMSQCT-HNNXBMFYSA-N -1 0 346.390 2.986 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(SC(F)F)cc1 ZINC000122823767 1305021112 /nfs/dbraw/zinc/02/11/12/1305021112.db2.gz OMNSJBGWXTWPHQ-NSHDSACASA-N -1 0 335.335 2.940 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122848216 1305052549 /nfs/dbraw/zinc/05/25/49/1305052549.db2.gz IUTXUSLEYJVPFL-CQSZACIVSA-N -1 0 348.362 2.518 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2cc(Cl)cc(C(F)(F)F)c2)c1=O ZINC000780196284 1314032356 /nfs/dbraw/zinc/03/23/56/1314032356.db2.gz PZCQZWXQGXTRLA-UHFFFAOYSA-N -1 0 348.737 2.790 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1C#N ZINC000122933754 1305133468 /nfs/dbraw/zinc/13/34/68/1305133468.db2.gz XMOTYNNECAQQOS-UHFFFAOYSA-N -1 0 328.393 2.695 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(CC)nc1C1CC1 ZINC000870133739 1305159815 /nfs/dbraw/zinc/15/98/15/1305159815.db2.gz DOZJDKDFQDTCHI-CQSZACIVSA-N -1 0 330.432 2.799 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(CC)nc1C1CC1 ZINC000870133737 1305160452 /nfs/dbraw/zinc/16/04/52/1305160452.db2.gz DOZJDKDFQDTCHI-AWEZNQCLSA-N -1 0 330.432 2.799 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(COC)c(F)c1 ZINC000870134365 1305160487 /nfs/dbraw/zinc/16/04/87/1305160487.db2.gz KKJIGWNSLGMBPP-OAHLLOKOSA-N -1 0 334.391 2.991 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1)c1ccccc1 ZINC000870310511 1305255844 /nfs/dbraw/zinc/25/58/44/1305255844.db2.gz ZFYIYROAOSMYFQ-KGLIPLIRSA-N -1 0 346.337 2.868 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1)c1ccccc1 ZINC000870310512 1305256099 /nfs/dbraw/zinc/25/60/99/1305256099.db2.gz ZFYIYROAOSMYFQ-UONOGXRCSA-N -1 0 346.337 2.868 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000123240698 1305485924 /nfs/dbraw/zinc/48/59/24/1305485924.db2.gz RFEIKSQYKKOWGU-CYBMUJFWSA-N -1 0 340.770 2.689 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(C(=O)[O-])cc2OC)c1C#N ZINC001240733989 1314064093 /nfs/dbraw/zinc/06/40/93/1314064093.db2.gz OQSAYEARVQLXCP-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM COc1cc(-c2ccc(CN(C)/C(C)=N/C#N)cn2)ccc1C(=O)[O-] ZINC001240741305 1314064900 /nfs/dbraw/zinc/06/49/00/1314064900.db2.gz BZWIRFNVRJWTSG-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM CS(=O)(=O)c1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1 ZINC001240818440 1314075378 /nfs/dbraw/zinc/07/53/78/1314075378.db2.gz PMSXIZHQSNFLJM-FBCYGCLPSA-N -1 0 344.314 2.979 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccc(C(=O)[O-])s1 ZINC001240849312 1314077186 /nfs/dbraw/zinc/07/71/86/1314077186.db2.gz LSDDGUHPKRJRGZ-UHFFFAOYSA-N -1 0 326.395 2.898 20 30 EFEDRM COc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2)c1OC(C)=O ZINC001241245767 1314104508 /nfs/dbraw/zinc/10/45/08/1314104508.db2.gz PHQWAXAJKKSGOT-UHFFFAOYSA-N -1 0 329.283 2.996 20 30 EFEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000796606337 1306729658 /nfs/dbraw/zinc/72/96/58/1306729658.db2.gz ZKEJHFWIDKCSMF-HNNXBMFYSA-N -1 0 328.393 2.579 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796612301 1306776595 /nfs/dbraw/zinc/77/65/95/1306776595.db2.gz PFEQGELJAMHNML-INIZCTEOSA-N -1 0 342.420 2.888 20 30 EFEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000796613045 1306801550 /nfs/dbraw/zinc/80/15/50/1306801550.db2.gz UGCJQFKQIPVOKJ-CYBMUJFWSA-N -1 0 334.422 2.641 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1cncc(C(=O)[O-])c1 ZINC001241799853 1314151761 /nfs/dbraw/zinc/15/17/61/1314151761.db2.gz GIKPFSCZLHWUPB-DJKKODMXSA-N -1 0 342.355 2.635 20 30 EFEDRM COc1cc(C#N)cc(-c2cc(F)cc(C(=O)[O-])c2)c1OC(C)=O ZINC001241827591 1314154669 /nfs/dbraw/zinc/15/46/69/1314154669.db2.gz LGUOWYOOTNHUKZ-UHFFFAOYSA-N -1 0 329.283 2.996 20 30 EFEDRM COC(=O)c1ccc(-c2ccc(OC)c(C(=O)[O-])c2)cc1CC#N ZINC001241880844 1314160679 /nfs/dbraw/zinc/16/06/79/1314160679.db2.gz WHIVMHUBCQKREY-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM CC#CCCCC(=O)N(C)CCCN(C)C(=O)c1ccccc1O ZINC001066870736 1307407965 /nfs/dbraw/zinc/40/79/65/1307407965.db2.gz LKVPPWZAYZWKCO-UHFFFAOYSA-N -1 0 330.428 2.506 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC001260466445 1316340885 /nfs/dbraw/zinc/34/08/85/1316340885.db2.gz WWCGEPMTPKFEHR-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc(F)cc1[O-] ZINC001242217195 1314193565 /nfs/dbraw/zinc/19/35/65/1314193565.db2.gz LYXCUHQFEGSDFM-GFCCVEGCSA-N -1 0 329.331 2.937 20 30 EFEDRM COc1cc(CN[C@H](C)c2nc(C(=O)[O-])c(C)s2)ccc1C#N ZINC000900078187 1307639179 /nfs/dbraw/zinc/63/91/79/1307639179.db2.gz HSNCIKOHZSWVFA-SECBINFHSA-N -1 0 331.397 2.881 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cccc(F)c1[O-] ZINC001242349979 1314200882 /nfs/dbraw/zinc/20/08/82/1314200882.db2.gz BCFRGVCNPXJCPD-NSHDSACASA-N -1 0 329.331 2.937 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(C(=O)[O-])ccc1OC ZINC001242388308 1314202794 /nfs/dbraw/zinc/20/27/94/1314202794.db2.gz WXGQDTJSFRDPRL-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM COC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2OC)cc1CC#N ZINC001242391734 1314203797 /nfs/dbraw/zinc/20/37/97/1314203797.db2.gz AGNFJMSVKAEIGQ-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2cccc(F)c2C#N)c1 ZINC000800445621 1307853852 /nfs/dbraw/zinc/85/38/52/1307853852.db2.gz HZCYAEYGUNSZPW-UHFFFAOYSA-N -1 0 346.383 2.574 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc(C)nn1Cc1ccccc1)C(=O)[O-] ZINC000900325857 1307975667 /nfs/dbraw/zinc/97/56/67/1307975667.db2.gz XGLKWFIPNUVYGL-HNNXBMFYSA-N -1 0 342.399 2.781 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1C)C(=O)[O-] ZINC000900326118 1307977429 /nfs/dbraw/zinc/97/74/29/1307977429.db2.gz JPINWRMDJOTRET-GFCCVEGCSA-N -1 0 346.305 2.791 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OC(C)C)cc1C)C(=O)[O-] ZINC000900330755 1307988481 /nfs/dbraw/zinc/98/84/81/1307988481.db2.gz FZXXUPUYTAPSMH-HNNXBMFYSA-N -1 0 336.388 2.560 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1C1=CC(=O)C[C@@H](C)C1 ZINC001242743089 1314230234 /nfs/dbraw/zinc/23/02/34/1314230234.db2.gz JOMSDSOWRCGHEB-JTQLQIEISA-N -1 0 333.413 2.907 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CC[C@](C)(c3ccccc3)C1)[n-]c2=O ZINC000780227733 1314240277 /nfs/dbraw/zinc/24/02/77/1314240277.db2.gz RWORNFKFONJROH-SFHVURJKSA-N -1 0 336.399 2.979 20 30 EFEDRM COc1cc(C#N)cc(-c2cccc(C(=O)[O-])c2OC)c1OC(C)=O ZINC001242922806 1314245429 /nfs/dbraw/zinc/24/54/29/1314245429.db2.gz MSLALDJNVLQNRB-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM COc1ccc(CCS(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000800786250 1308418031 /nfs/dbraw/zinc/41/80/31/1308418031.db2.gz GOSYRWUFNUPBFL-UHFFFAOYSA-N -1 0 330.409 2.860 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000800808065 1308459991 /nfs/dbraw/zinc/45/99/91/1308459991.db2.gz FDZANJLKWLIOOP-ISTVAULSSA-N -1 0 336.461 2.644 20 30 EFEDRM COc1ccc(Nc2c(C#N)cnn2-c2ccccn2)cc1C(=O)[O-] ZINC001209899841 1314256684 /nfs/dbraw/zinc/25/66/84/1314256684.db2.gz XXLQMKMGSCEQPL-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000800839232 1308524793 /nfs/dbraw/zinc/52/47/93/1308524793.db2.gz AXRUGYDBOLGLKT-LLVKDONJSA-N -1 0 346.364 2.507 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)nc1 ZINC000800927351 1308686172 /nfs/dbraw/zinc/68/61/72/1308686172.db2.gz ZCZSPNHVYXTMRS-UHFFFAOYSA-N -1 0 347.783 2.536 20 30 EFEDRM N#Cc1ccc2ncnc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)c2c1 ZINC001244031463 1314345593 /nfs/dbraw/zinc/34/55/93/1314345593.db2.gz ZAWYURUXEDLLBE-UHFFFAOYSA-N -1 0 346.346 2.972 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(C(=O)[O-])ccc2OCC)c(C#N)c1 ZINC001244420529 1314378967 /nfs/dbraw/zinc/37/89/67/1314378967.db2.gz OXQGVIJCUUPCCU-UHFFFAOYSA-N -1 0 340.335 2.894 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C#N)c(C)c2)cc1 ZINC001210809441 1314391955 /nfs/dbraw/zinc/39/19/55/1314391955.db2.gz UBOCWKBEYSPOSF-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM C=CCOc1c(Cl)cc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1OC ZINC000901516814 1310594850 /nfs/dbraw/zinc/59/48/50/1310594850.db2.gz WHKRQGFHCHHDFR-INIZCTEOSA-N -1 0 343.782 2.912 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2ccccc2OCCC(=O)[O-])nn1 ZINC000901529350 1310614624 /nfs/dbraw/zinc/61/46/24/1310614624.db2.gz KMIJTJZFBPBPHQ-BQYQJAHWSA-N -1 0 329.356 2.609 20 30 EFEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000901561257 1310669456 /nfs/dbraw/zinc/66/94/56/1310669456.db2.gz NVBOYRHWEOXDBM-YXVBKTCISA-N -1 0 340.379 2.967 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000901561518 1310670277 /nfs/dbraw/zinc/67/02/77/1310670277.db2.gz UCCBZEVIHDEHSO-QDZRJHCZSA-N -1 0 326.352 2.577 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1cc(C(=O)[O-])cnc1F ZINC001244758297 1314409321 /nfs/dbraw/zinc/40/93/21/1314409321.db2.gz PIPAYNDEVMNQFV-UHFFFAOYSA-N -1 0 342.330 2.837 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)c1cnn(C)c1 ZINC000750682434 1311088909 /nfs/dbraw/zinc/08/89/09/1311088909.db2.gz ZAKOWAOJULEFSM-IAQYHMDHSA-N -1 0 334.379 2.905 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1c(F)cc(C(=O)[O-])cc1F ZINC001222386385 1311122999 /nfs/dbraw/zinc/12/29/99/1311122999.db2.gz YIUCFHABYYTMDW-UHFFFAOYSA-N -1 0 334.278 2.888 20 30 EFEDRM Cc1nc(N[C@@H]2CN(C(=O)c3ccccc3O)C[C@@H]2C)ccc1C#N ZINC001067037780 1311136967 /nfs/dbraw/zinc/13/69/67/1311136967.db2.gz MOPMJZJVCLVLCF-BLLLJJGKSA-N -1 0 336.395 2.540 20 30 EFEDRM Cc1cc(C#N)cc(C)c1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001222662938 1311169069 /nfs/dbraw/zinc/16/90/69/1311169069.db2.gz HUKAPPCYPGYJJO-UHFFFAOYSA-N -1 0 327.365 2.666 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)co1 ZINC000802039976 1311254574 /nfs/dbraw/zinc/25/45/74/1311254574.db2.gz CONQVQDFWNKVAX-CYBMUJFWSA-N -1 0 327.340 2.597 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C3CC3)n2)cc1 ZINC000802041800 1311259554 /nfs/dbraw/zinc/25/95/54/1311259554.db2.gz FVPRTUSHBGRPMT-CYBMUJFWSA-N -1 0 325.324 2.522 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802042089 1311260820 /nfs/dbraw/zinc/26/08/20/1311260820.db2.gz AAERMMIZZMQYHX-AWEZNQCLSA-N -1 0 339.351 2.530 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC2CN(Cc3ccccc3)C2)c1 ZINC001223889125 1311315873 /nfs/dbraw/zinc/31/58/73/1311315873.db2.gz ZGSFTARZWNTFMU-VXPUYCOJSA-N -1 0 342.395 2.741 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC[C@@H]2COc3ccccc3O2)c1 ZINC001223892572 1311316271 /nfs/dbraw/zinc/31/62/71/1311316271.db2.gz JUNXVHQPAHHYJR-UNQMGURYSA-N -1 0 345.351 2.696 20 30 EFEDRM CCC[C@@H](CC(=O)OCC)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892152 1311316319 /nfs/dbraw/zinc/31/63/19/1311316319.db2.gz CSYSGJDLAXDTIS-FKEVTRRJSA-N -1 0 339.388 2.978 20 30 EFEDRM COC(=O)C1CCC(O/C(=N\[O-])c2cc(OC)ccc2OC)CC1 ZINC001223893601 1311316918 /nfs/dbraw/zinc/31/69/18/1311316918.db2.gz XUFYCUAORICZNI-VLGSPTGOSA-N -1 0 337.372 2.588 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)CC(=O)OC(C)(C)C)c1 ZINC001223893164 1311317095 /nfs/dbraw/zinc/31/70/95/1311317095.db2.gz RNKSHVRHIQOSTI-QHKYSRAXSA-N -1 0 339.388 2.977 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1ccc(Cl)nc1 ZINC001158967691 1311426493 /nfs/dbraw/zinc/42/64/93/1311426493.db2.gz ZDZOIAGNYGTQST-UHFFFAOYSA-N -1 0 327.678 2.579 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000802212945 1311464892 /nfs/dbraw/zinc/46/48/92/1311464892.db2.gz JNVKTHLORGQRPT-OAHLLOKOSA-N -1 0 341.798 2.991 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1coc(C2CC2)n1 ZINC000802212783 1311465213 /nfs/dbraw/zinc/46/52/13/1311465213.db2.gz CYAFXYOYEIULEX-ZDUSSCGKSA-N -1 0 343.770 2.844 20 30 EFEDRM N#Cc1ccc(CNC(F)(F)c2cc(Cl)nnc2C(=O)[O-])s1 ZINC001159179433 1311468483 /nfs/dbraw/zinc/46/84/83/1311468483.db2.gz LQNLNLGGPCOHHG-UHFFFAOYSA-N -1 0 344.730 2.600 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(Cl)c1Cl ZINC001225207538 1311489989 /nfs/dbraw/zinc/48/99/89/1311489989.db2.gz RIAUDYYLDLSGEC-SECBINFHSA-N -1 0 341.212 2.831 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1 ZINC001225515921 1311535113 /nfs/dbraw/zinc/53/51/13/1311535113.db2.gz WVSDQSDCZLUUQW-LLVKDONJSA-N -1 0 328.386 2.599 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001226008667 1311600963 /nfs/dbraw/zinc/60/09/63/1311600963.db2.gz LNQFKKYJMQTIRH-CQSZACIVSA-N -1 0 328.255 2.987 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(Oc2[n-]c(=O)c(F)cc2C#N)CC1 ZINC001226013842 1311601312 /nfs/dbraw/zinc/60/13/12/1311601312.db2.gz RILUCWYNWDWUHP-UHFFFAOYSA-N -1 0 337.351 2.576 20 30 EFEDRM Cc1c([C@H](C)Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)cnn1C ZINC001226063362 1311607939 /nfs/dbraw/zinc/60/79/39/1311607939.db2.gz GVGBNYYYTOEUSH-QMMMGPOBSA-N -1 0 326.278 2.860 20 30 EFEDRM N#Cc1c(OC2CCC3(CC2)OCCO3)[n-]c(=O)cc1C(F)(F)F ZINC001226063605 1311607962 /nfs/dbraw/zinc/60/79/62/1311607962.db2.gz KCQXTWTWJWAFCV-UHFFFAOYSA-N -1 0 344.289 2.742 20 30 EFEDRM Cc1nn(C)cc1[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063900 1311608081 /nfs/dbraw/zinc/60/80/81/1311608081.db2.gz MCDLTWUCMRCDAE-MRVPVSSYSA-N -1 0 326.278 2.860 20 30 EFEDRM CCOC(=O)[C@H]1CC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066287 1311608354 /nfs/dbraw/zinc/60/83/54/1311608354.db2.gz AAKWDLWDGNAZBA-IUCAKERBSA-N -1 0 344.289 2.788 20 30 EFEDRM CCOC(=O)[C@H]1CCC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065484 1311608412 /nfs/dbraw/zinc/60/84/12/1311608412.db2.gz UJMIWISWSASJSR-GZMMTYOYSA-N -1 0 344.289 2.788 20 30 EFEDRM CC[C@@H]1OC(C)=C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1=O ZINC001226068802 1311608997 /nfs/dbraw/zinc/60/89/97/1311608997.db2.gz WAALOUMUKWQMLY-VIFPVBQESA-N -1 0 328.246 2.666 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221593 1311632458 /nfs/dbraw/zinc/63/24/58/1311632458.db2.gz NCPPOQWPAKXWNC-GFCCVEGCSA-N -1 0 333.388 2.746 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226222192 1311632597 /nfs/dbraw/zinc/63/25/97/1311632597.db2.gz VKSBGVWQMVDMKA-CYBMUJFWSA-N -1 0 345.399 2.746 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N ZINC001226221026 1311632722 /nfs/dbraw/zinc/63/27/22/1311632722.db2.gz GMLLJQSPSLWHFZ-SECBINFHSA-N -1 0 343.295 2.744 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226220989 1311632875 /nfs/dbraw/zinc/63/28/75/1311632875.db2.gz DVIZNWDLBUVWQY-JYAVWHMHSA-N -1 0 345.399 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226222667 1311633321 /nfs/dbraw/zinc/63/33/21/1311633321.db2.gz GIPNRSXSSHNXAG-KYOSRNDESA-N -1 0 345.399 2.744 20 30 EFEDRM COc1ccccc1[C@@H](Oc1nccc(/C=N/[O-])n1)C(F)(F)F ZINC001226255785 1311637947 /nfs/dbraw/zinc/63/79/47/1311637947.db2.gz MAIPJOSEYWSADU-OZOTYFBYSA-N -1 0 327.262 2.976 20 30 EFEDRM C[C@@H](COc1ccccc1)OCCCOc1nccc(/C=N/O)n1 ZINC001226254841 1311637963 /nfs/dbraw/zinc/63/79/63/1311637963.db2.gz DBIHQJYLZBNWSB-BXUJETTOSA-N -1 0 331.372 2.538 20 30 EFEDRM CC(C)CCOC(=O)[C@@H](Oc1nccc(/C=N/O)n1)c1ccccc1 ZINC001226255082 1311638146 /nfs/dbraw/zinc/63/81/46/1311638146.db2.gz GMNUQQAVOWYSQK-DORSJAEJSA-N -1 0 343.383 2.994 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(C)[n-]c(=O)c1F ZINC001226420493 1311664353 /nfs/dbraw/zinc/66/43/53/1311664353.db2.gz JRICGRZTVXIWAA-LLVKDONJSA-N -1 0 339.367 2.574 20 30 EFEDRM Cc1[n-]c(=O)nc(O[C@H](C)C#C[Si](C)(C)C)c1Br ZINC001226788750 1311723659 /nfs/dbraw/zinc/72/36/59/1311723659.db2.gz ZWUYLKDFSTYKSW-MRVPVSSYSA-N -1 0 329.270 2.901 20 30 EFEDRM C#C[C@@H](C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227029385 1311754308 /nfs/dbraw/zinc/75/43/08/1311754308.db2.gz IWDVGTNSRSOJEH-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)nnc2Br)O1 ZINC001227064989 1311757599 /nfs/dbraw/zinc/75/75/99/1311757599.db2.gz WJQDMSULFLSBRJ-SDBXPKJASA-N -1 0 344.209 2.621 20 30 EFEDRM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nnc1Br ZINC001227066393 1311757861 /nfs/dbraw/zinc/75/78/61/1311757861.db2.gz KEAORVFZHWFOJD-NSHDSACASA-N -1 0 334.173 2.549 20 30 EFEDRM C=C[C@@H](CCCC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227332851 1311794822 /nfs/dbraw/zinc/79/48/22/1311794822.db2.gz QNHQSFBYDCUIGF-QMMMGPOBSA-N -1 0 345.193 2.855 20 30 EFEDRM C#C[C@H](Oc1cc([O-])c(Br)cc1C(=O)OC)C(C)C ZINC001227359539 1311797307 /nfs/dbraw/zinc/79/73/07/1311797307.db2.gz NAROKLAYFYOSPV-LBPRGKRZSA-N -1 0 327.174 2.978 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(O)cc1C(C)(C)C ZINC001227440782 1311807087 /nfs/dbraw/zinc/80/70/87/1311807087.db2.gz OLWMATBGFHXJIC-CYBMUJFWSA-N -1 0 344.429 2.528 20 30 EFEDRM C#CC[C@H](C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495256 1311812432 /nfs/dbraw/zinc/81/24/32/1311812432.db2.gz NEHJWLOOCMUJKI-VIFPVBQESA-N -1 0 326.370 2.598 20 30 EFEDRM C[C@@H](CC(C)(C)S)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227598065 1311826724 /nfs/dbraw/zinc/82/67/24/1311826724.db2.gz UEEDHJNVHGGNJB-YFKPBYRVSA-N -1 0 347.238 2.687 20 30 EFEDRM C#C[C@@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)c1ccccc1 ZINC001227620973 1311832420 /nfs/dbraw/zinc/83/24/20/1311832420.db2.gz ZBPVRAHZGRHSIU-LLVKDONJSA-N -1 0 346.360 2.780 20 30 EFEDRM CSc1nc(O[C@@H](C#N)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629790 1311834335 /nfs/dbraw/zinc/83/43/35/1311834335.db2.gz YVZRQLBBPGPGQS-VIFPVBQESA-N -1 0 336.304 2.595 20 30 EFEDRM C#C[C@@H]1CCC[C@H]1Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636975 1311834915 /nfs/dbraw/zinc/83/49/15/1311834915.db2.gz FOFKUVMSJOWNSO-GHMZBOCLSA-N -1 0 336.340 2.519 20 30 EFEDRM C#C[C@@H]1CCC[C@@H]1Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227671735 1311837167 /nfs/dbraw/zinc/83/71/67/1311837167.db2.gz SFBJVCOOELWSNU-BZNIZROVSA-N -1 0 332.377 2.973 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)c(Cl)c(C)c1 ZINC001227845107 1311864735 /nfs/dbraw/zinc/86/47/35/1311864735.db2.gz LWJDEWWBRFLMMX-CYBMUJFWSA-N -1 0 334.821 2.795 20 30 EFEDRM N#CC1CC(Oc2cc(O)ccc2C(=O)c2ccc(O)cc2[O-])C1 ZINC001228123133 1311903597 /nfs/dbraw/zinc/90/35/97/1311903597.db2.gz RYTIWMALBCWQLU-UHFFFAOYSA-N -1 0 325.320 2.715 20 30 EFEDRM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1C#N ZINC001228609795 1311969924 /nfs/dbraw/zinc/96/99/24/1311969924.db2.gz ISHOZAFBLYVNOD-VIFPVBQESA-N -1 0 326.312 2.979 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2cc(C)ccc2c1 ZINC001228736790 1311990932 /nfs/dbraw/zinc/99/09/32/1311990932.db2.gz INFQJWSHTOQBHK-KRWDZBQOSA-N -1 0 336.409 2.986 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C#N)c2ccccc2F)cc1[O-] ZINC001228813829 1312004248 /nfs/dbraw/zinc/00/42/48/1312004248.db2.gz GHQJUGLTBZVPHS-HNNXBMFYSA-N -1 0 346.270 2.870 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898075 1312016512 /nfs/dbraw/zinc/01/65/12/1312016512.db2.gz BPAUJBOONPIKDV-SCLBCKFNSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@H]1C[C@H](Oc2[n-]c(=O)ccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001228898128 1312016600 /nfs/dbraw/zinc/01/66/00/1312016600.db2.gz CBFGZDHUKUOFEY-WCQYABFASA-N -1 0 333.388 2.826 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3[n-]c(=O)ccc3C#N)C[C@@H]2C1 ZINC001228898249 1312016719 /nfs/dbraw/zinc/01/67/19/1312016719.db2.gz DSIGAJOGHUJUKH-BTTYYORXSA-N -1 0 345.399 2.683 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]c(=O)ccc2C#N)CC1 ZINC001228899491 1312016979 /nfs/dbraw/zinc/01/69/79/1312016979.db2.gz YFCVPTPMDGHQAJ-ZDUSSCGKSA-N -1 0 333.388 2.827 20 30 EFEDRM CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2ccc(Cl)cc21 ZINC001228912166 1312019081 /nfs/dbraw/zinc/01/90/81/1312019081.db2.gz HJHITTLBCQELOV-SNVBAGLBSA-N -1 0 335.747 2.603 20 30 EFEDRM C=CC[C@H](CCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228946519 1312025023 /nfs/dbraw/zinc/02/50/23/1312025023.db2.gz LFRVUCIVMXKTDZ-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1occ2c1CCC2 ZINC000802796466 1312030968 /nfs/dbraw/zinc/03/09/68/1312030968.db2.gz IIHVJXAQWMNFHV-CYBMUJFWSA-N -1 0 344.317 2.685 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C)cc1C(C)C ZINC001229121874 1312050095 /nfs/dbraw/zinc/05/00/95/1312050095.db2.gz ANQUYTKEIUWDLP-CQSZACIVSA-N -1 0 328.430 2.956 20 30 EFEDRM N#CCN1CC[C@@H](Oc2cc(O)ccc2C(=O)Cc2ccccc2)C1 ZINC001229259877 1312068915 /nfs/dbraw/zinc/06/89/15/1312068915.db2.gz OSPDHVQZZQNHMC-QGZVFWFLSA-N -1 0 336.391 2.794 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC[C@H]1CCCO1 ZINC000113651189 1312101320 /nfs/dbraw/zinc/10/13/20/1312101320.db2.gz FZEOCCWSIOLSPE-HIFRSBDPSA-N -1 0 340.379 2.564 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)cc(C)c1Cl ZINC001229524489 1312109718 /nfs/dbraw/zinc/10/97/18/1312109718.db2.gz RYXKMFNETPMLQC-LBPRGKRZSA-N -1 0 334.821 2.795 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000802890603 1312112775 /nfs/dbraw/zinc/11/27/75/1312112775.db2.gz DHDXDZCMGBTUDT-AWEZNQCLSA-N -1 0 336.269 2.955 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000113651686 1312113320 /nfs/dbraw/zinc/11/33/20/1312113320.db2.gz XXTJSIBWQPRYII-MRXNPFEDSA-N -1 0 335.363 2.819 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)C#C[Si](C)(C)C ZINC001230205081 1312205180 /nfs/dbraw/zinc/20/51/80/1312205180.db2.gz ONKHPSLZRQWVRH-LLVKDONJSA-N -1 0 344.443 2.770 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C)C#C[Si](C)(C)C ZINC001230205082 1312205452 /nfs/dbraw/zinc/20/54/52/1312205452.db2.gz ONKHPSLZRQWVRH-NSHDSACASA-N -1 0 344.443 2.770 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803030025 1312215486 /nfs/dbraw/zinc/21/54/86/1312215486.db2.gz YJSATPALNLRVJF-NSHDSACASA-N -1 0 339.438 2.687 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000803054212 1312235910 /nfs/dbraw/zinc/23/59/10/1312235910.db2.gz SSIPTRDAXMWCMA-UHFFFAOYSA-N -1 0 341.860 2.912 20 30 EFEDRM COC(=O)c1cc(C#N)cnc1Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001163117018 1312244426 /nfs/dbraw/zinc/24/44/26/1312244426.db2.gz ZQHNPGMWLFZDAD-UHFFFAOYSA-N -1 0 349.350 2.683 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C#N ZINC000903173589 1312429020 /nfs/dbraw/zinc/42/90/20/1312429020.db2.gz QSQFOAVIHQNEHV-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001231199141 1312452383 /nfs/dbraw/zinc/45/23/83/1312452383.db2.gz AEHZUGOFDLTOIU-PUMYGXPMSA-N -1 0 327.336 2.568 20 30 EFEDRM C[C@@H](CS)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231228084 1312457959 /nfs/dbraw/zinc/45/79/59/1312457959.db2.gz CCWIXVDZMFUELE-QMMMGPOBSA-N -1 0 329.337 2.894 20 30 EFEDRM N#CC1CN(Cc2cc(Cl)c([O-])c(Br)c2)CCC1=O ZINC001231748916 1312559815 /nfs/dbraw/zinc/55/98/15/1312559815.db2.gz SGOIBEKCTLZDDF-SECBINFHSA-N -1 0 343.608 2.723 20 30 EFEDRM COc1ccc(CN2CC(Oc3ccccc3C#N)C2)cc1C(=O)[O-] ZINC001231756150 1312560066 /nfs/dbraw/zinc/56/00/66/1312560066.db2.gz JERWUUHZJQWXMD-UHFFFAOYSA-N -1 0 338.363 2.528 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1cccc(C(=O)[O-])c1OC ZINC001211034292 1314426384 /nfs/dbraw/zinc/42/63/84/1314426384.db2.gz YAAHDQXGSNNFKQ-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1 ZINC001211327995 1314476551 /nfs/dbraw/zinc/47/65/51/1314476551.db2.gz QNTJCILDQONPRY-UHFFFAOYSA-N -1 0 347.352 2.709 20 30 EFEDRM C#Cc1cnc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C#C)n1 ZINC001211481991 1314507518 /nfs/dbraw/zinc/50/75/18/1314507518.db2.gz XXRQLTVDGQWKHW-UHFFFAOYSA-N -1 0 331.253 2.900 20 30 EFEDRM N#Cc1cc(N)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C#N ZINC001213194725 1314519643 /nfs/dbraw/zinc/51/96/43/1314519643.db2.gz UFKKLZZFPYTFHF-UHFFFAOYSA-N -1 0 349.350 2.559 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2c([O-])cccc2F)nc1 ZINC001245655674 1314521180 /nfs/dbraw/zinc/52/11/80/1314521180.db2.gz VLKVADNUNPSRIQ-SILNSSARSA-N -1 0 328.372 2.979 20 30 EFEDRM COC(=O)c1ccc(-n2[n-]c(-c3ccc(C#N)cc3)cc2=O)cc1OC ZINC001245934064 1314551849 /nfs/dbraw/zinc/55/18/49/1314551849.db2.gz ZALMIAFATJIYQW-UHFFFAOYSA-N -1 0 349.346 2.912 20 30 EFEDRM N#Cc1cccc(-c2cc(=O)n(-c3ncc(Br)cn3)[n-]2)c1 ZINC001245938058 1314552767 /nfs/dbraw/zinc/55/27/67/1314552767.db2.gz ZSOOJKCKNKDUEQ-UHFFFAOYSA-N -1 0 342.156 2.669 20 30 EFEDRM N#Cc1cccc(Cn2[n-]c(-c3ccc4c(c3)OCCO4)cc2=O)c1 ZINC001245946016 1314553878 /nfs/dbraw/zinc/55/38/78/1314553878.db2.gz ZSFWWXATHSPIES-UHFFFAOYSA-N -1 0 333.347 2.947 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213625786 1314582707 /nfs/dbraw/zinc/58/27/07/1314582707.db2.gz SJTLPOKOLDPWLP-UHFFFAOYSA-N -1 0 340.383 2.867 20 30 EFEDRM CCOC(=O)c1c([N-]c2ccncc2C#N)onc1-c1ccccc1 ZINC001214010007 1314635645 /nfs/dbraw/zinc/63/56/45/1314635645.db2.gz WPKIXHUAAAGZSN-UHFFFAOYSA-N -1 0 334.335 2.950 20 30 EFEDRM CCOc1ccc(C(=O)[O-])cc1Nc1nc(C#N)c(C#N)nc1Cl ZINC001214270606 1314670071 /nfs/dbraw/zinc/67/00/71/1314670071.db2.gz FXKFCGRPWQMRCS-UHFFFAOYSA-N -1 0 343.730 2.714 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Br)cc1 ZINC000119681646 1314687183 /nfs/dbraw/zinc/68/71/83/1314687183.db2.gz XNBJCVNSDNHNPS-ZDUSSCGKSA-N -1 0 335.201 2.830 20 30 EFEDRM CC1=NN(c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)CC1 ZINC000119911846 1314735048 /nfs/dbraw/zinc/73/50/48/1314735048.db2.gz VBWNILWMXZFXQR-KRWDZBQOSA-N -1 0 338.411 2.654 20 30 EFEDRM Cn1ccc(C#Cc2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001247209141 1314757923 /nfs/dbraw/zinc/75/79/23/1314757923.db2.gz AKNBRJJIGMIBLL-UHFFFAOYSA-N -1 0 339.405 2.768 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215118182 1314783598 /nfs/dbraw/zinc/78/35/98/1314783598.db2.gz SEPVVDIFTWHSKJ-UHFFFAOYSA-N -1 0 329.287 2.629 20 30 EFEDRM C=CCCCNC(=S)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001247760395 1314836106 /nfs/dbraw/zinc/83/61/06/1314836106.db2.gz MKPVASLHMQHXBS-UHFFFAOYSA-N -1 0 328.459 2.803 20 30 EFEDRM C=CCCCNC(=S)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001247768711 1314838180 /nfs/dbraw/zinc/83/81/80/1314838180.db2.gz USNOBYDJJOJMGJ-UHFFFAOYSA-N -1 0 334.850 2.839 20 30 EFEDRM Cc1cc(Nc2c(C#N)cnc3c(C#N)cnn32)cc(C)c1C(=O)[O-] ZINC001216309622 1314938923 /nfs/dbraw/zinc/93/89/23/1314938923.db2.gz GKMREJHWBISTNM-UHFFFAOYSA-N -1 0 332.323 2.531 20 30 EFEDRM N#Cc1cc(-c2nc(-c3cccnc3OC(F)F)no2)ccc1[O-] ZINC001216969346 1315027048 /nfs/dbraw/zinc/02/70/48/1315027048.db2.gz BUODSHDIKVBEMG-UHFFFAOYSA-N -1 0 330.250 2.977 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nc(-c2ccccc2)c[nH]1 ZINC001318359110 1328562470 /nfs/dbraw/zinc/56/24/70/1328562470.db2.gz HVYSHFSSQNTZFA-UHFFFAOYSA-N -1 0 347.403 2.958 20 30 EFEDRM COc1ccc2c(c1)[n-]cc(-c1nc(-c3ccc(C#N)cn3)no1)c2=O ZINC001217338309 1315062466 /nfs/dbraw/zinc/06/24/66/1315062466.db2.gz MMWMWJYUCKLYMI-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1cccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)n1 ZINC001217508041 1315079177 /nfs/dbraw/zinc/07/91/77/1315079177.db2.gz YMEQIXUOSJZPPJ-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1ccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)nc1 ZINC001217506043 1315079681 /nfs/dbraw/zinc/07/96/81/1315079681.db2.gz HAINRZYDUAPFAN-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COC(=O)n1ncc(C#N)c1NC(=S)[N-]c1ccccc1SC ZINC001249712547 1315126038 /nfs/dbraw/zinc/12/60/38/1315126038.db2.gz CKTPFAFDPHIDQU-UHFFFAOYSA-N -1 0 347.425 2.900 20 30 EFEDRM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=N[O-])c1nonc1N ZINC001249920175 1315154755 /nfs/dbraw/zinc/15/47/55/1315154755.db2.gz YKBPDNFABNBWSM-UHFFFAOYSA-N -1 0 348.363 2.555 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cccc3cccnc32)c1C#N ZINC001250956800 1315300816 /nfs/dbraw/zinc/30/08/16/1315300816.db2.gz APYGCLKBIUULMF-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C#N ZINC001251004687 1315309051 /nfs/dbraw/zinc/30/90/51/1315309051.db2.gz QFMLSZZAAXXOHG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC001251004735 1315309406 /nfs/dbraw/zinc/30/94/06/1315309406.db2.gz RIWDOZNVMXLYQX-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccccc2)c(C#N)c1C ZINC001251115456 1315322874 /nfs/dbraw/zinc/32/28/74/1315322874.db2.gz CNJUPBOYDTXMGR-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251247348 1315334485 /nfs/dbraw/zinc/33/44/85/1315334485.db2.gz YKJSDVHFGNGMIT-LURJTMIESA-N -1 0 342.289 2.599 20 30 EFEDRM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251249869 1315335190 /nfs/dbraw/zinc/33/51/90/1315335190.db2.gz WIMUWGVVVWABPK-GFCCVEGCSA-N -1 0 342.289 2.743 20 30 EFEDRM C#Cc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C#C)n1 ZINC001251993053 1315401163 /nfs/dbraw/zinc/40/11/63/1315401163.db2.gz FIVAMXJBECPCRW-UHFFFAOYSA-N -1 0 339.420 2.538 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc(C)no2)cc1 ZINC000193375829 1315405864 /nfs/dbraw/zinc/40/58/64/1315405864.db2.gz LDFJWLVFQOKARV-OAHLLOKOSA-N -1 0 340.383 2.674 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)s1 ZINC000193421804 1315408410 /nfs/dbraw/zinc/40/84/10/1315408410.db2.gz KJPKQNRLALDIAK-ZDUSSCGKSA-N -1 0 328.393 2.500 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001252353508 1315438093 /nfs/dbraw/zinc/43/80/93/1315438093.db2.gz XDDKDBUDDQZTPQ-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM O=S(=O)([N-][C@@H](c1cccc(F)c1)C(F)(F)F)C(F)(F)F ZINC001252368341 1315440179 /nfs/dbraw/zinc/44/01/79/1315440179.db2.gz SLNOCRGIPHROHB-ZETCQYMHSA-N -1 0 325.205 2.868 20 30 EFEDRM C=CCC[C@@H](O)CNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001252607382 1315475381 /nfs/dbraw/zinc/47/53/81/1315475381.db2.gz LUUWGGZHSCVWLV-CYBMUJFWSA-N -1 0 337.397 2.531 20 30 EFEDRM C=CCC[C@H](O)CNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001252607384 1315475468 /nfs/dbraw/zinc/47/54/68/1315475468.db2.gz LUUWGGZHSCVWLV-ZDUSSCGKSA-N -1 0 337.397 2.531 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1sc(C)cc1C#N ZINC001253950340 1315655420 /nfs/dbraw/zinc/65/54/20/1315655420.db2.gz ZOXTVXQXGZHHAP-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C#CCOc1ccc(OCc2cn([C@H](C(=O)[O-])[C@@H](C)CC)nn2)cc1 ZINC001254089603 1315672251 /nfs/dbraw/zinc/67/22/51/1315672251.db2.gz YFKFBALQKKSDFF-GUYCJALGSA-N -1 0 343.383 2.541 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C#N ZINC001254194905 1315679808 /nfs/dbraw/zinc/67/98/08/1315679808.db2.gz DMZYYVDSTITIST-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001254347804 1315696307 /nfs/dbraw/zinc/69/63/07/1315696307.db2.gz ZPCPUJGBBNXUKH-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C)cc1OC ZINC001254592730 1315728675 /nfs/dbraw/zinc/72/86/75/1315728675.db2.gz UWFWQMISGCEJBY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254880724 1315753839 /nfs/dbraw/zinc/75/38/39/1315753839.db2.gz LMENVRJZKWLBQZ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1 ZINC001255017821 1315772292 /nfs/dbraw/zinc/77/22/92/1315772292.db2.gz NMYYZANMLJXHAL-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255875636 1315875749 /nfs/dbraw/zinc/87/57/49/1315875749.db2.gz OMRAUGAJJMADPG-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1[O-] ZINC001278895282 1315878833 /nfs/dbraw/zinc/87/88/33/1315878833.db2.gz NKNICXCARAQOPQ-OTWHNJEPSA-N -1 0 349.434 2.571 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC001256239325 1315922524 /nfs/dbraw/zinc/92/25/24/1315922524.db2.gz FXBAVCPMPFCELA-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cccc(-c2nccc(C)n2)c1)C(=O)[O-] ZINC001256440199 1315941354 /nfs/dbraw/zinc/94/13/54/1315941354.db2.gz CNKRFYYAOJBAEQ-CQSZACIVSA-N -1 0 326.356 2.603 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256715427 1315984585 /nfs/dbraw/zinc/98/45/85/1315984585.db2.gz UIIPEMFGAOCKIQ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCN(C)C3)c1 ZINC001256864444 1316001137 /nfs/dbraw/zinc/00/11/37/1316001137.db2.gz OSWVMVSBWWWGNO-UHFFFAOYSA-N -1 0 347.465 2.717 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000133265167 1316025630 /nfs/dbraw/zinc/02/56/30/1316025630.db2.gz COJSEUWKJCVFPL-VIFPVBQESA-N -1 0 325.349 2.625 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)cc1OC ZINC001257082773 1316031452 /nfs/dbraw/zinc/03/14/52/1316031452.db2.gz ABBIZNITGIVWET-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257195507 1316045577 /nfs/dbraw/zinc/04/55/77/1316045577.db2.gz DYZVFZAKBGRMAA-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C#N ZINC001257656879 1316083104 /nfs/dbraw/zinc/08/31/04/1316083104.db2.gz VJPNFZLAEYKJAH-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cn1 ZINC001257827644 1316095106 /nfs/dbraw/zinc/09/51/06/1316095106.db2.gz CBVWXTYDLWHLIU-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257817566 1316095121 /nfs/dbraw/zinc/09/51/21/1316095121.db2.gz AHGPSPBWKPSXON-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001257914957 1316104279 /nfs/dbraw/zinc/10/42/79/1316104279.db2.gz ASQQRVSWFAXXRB-UHFFFAOYSA-N -1 0 342.298 2.762 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(OC(F)(F)F)c2)cc1 ZINC001258054146 1316115504 /nfs/dbraw/zinc/11/55/04/1316115504.db2.gz XMQGSDWMNZQKTE-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)cc1 ZINC001258135863 1316123947 /nfs/dbraw/zinc/12/39/47/1316123947.db2.gz IRLNLHMXRGVSAY-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccccc2C#N)s1 ZINC001258185214 1316128744 /nfs/dbraw/zinc/12/87/44/1316128744.db2.gz NOCBBMTZMXUWQH-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ncccc1C(F)(F)F ZINC001258196575 1316130749 /nfs/dbraw/zinc/13/07/49/1316130749.db2.gz VVJGUFPYKOCNHC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccc2ncc([N-]S(=O)(=O)c3ccccc3C#N)cc2c1 ZINC001258201582 1316131037 /nfs/dbraw/zinc/13/10/37/1316131037.db2.gz IJTCHPWIZPTJIM-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(F)c1 ZINC001258207798 1316131576 /nfs/dbraw/zinc/13/15/76/1316131576.db2.gz AINNPDUFMGCYTF-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnccc1OC(F)(F)F ZINC001258214722 1316131887 /nfs/dbraw/zinc/13/18/87/1316131887.db2.gz PUYYVYFVGSRKQS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)cc(C(C)=O)c1 ZINC001258283444 1316136237 /nfs/dbraw/zinc/13/62/37/1316136237.db2.gz WFESHJBLTGNJIX-UHFFFAOYSA-N -1 0 342.376 2.764 20 30 EFEDRM COc1ccc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2n1 ZINC001258290255 1316137247 /nfs/dbraw/zinc/13/72/47/1316137247.db2.gz MLGKCDICWVCMII-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1ccnc(NN=Cc2c(Br)cc(C(=O)[O-])n2C)c1 ZINC001332054287 1316139203 /nfs/dbraw/zinc/13/92/03/1316139203.db2.gz XDTQCNNWTSQEKE-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258912345 1316191882 /nfs/dbraw/zinc/19/18/82/1316191882.db2.gz UFASFBJFOGPZQF-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cnc1C#N ZINC001258932121 1316193621 /nfs/dbraw/zinc/19/36/21/1316193621.db2.gz GOWKZMUCHSSDLG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1F ZINC001258948164 1316195517 /nfs/dbraw/zinc/19/55/17/1316195517.db2.gz YNGORMWNQNFSCX-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1cc(F)ccc1F ZINC001258950334 1316195981 /nfs/dbraw/zinc/19/59/81/1316195981.db2.gz WSQZFTBWXHMJTD-UHFFFAOYSA-N -1 0 343.195 2.736 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C#N ZINC001259034051 1316199952 /nfs/dbraw/zinc/19/99/52/1316199952.db2.gz TVMQQTOHQDJKTG-UHFFFAOYSA-N -1 0 333.316 2.541 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1C#N ZINC001259039633 1316200774 /nfs/dbraw/zinc/20/07/74/1316200774.db2.gz GJXHHIRROVWWFZ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1C#N ZINC001259040363 1316201449 /nfs/dbraw/zinc/20/14/49/1316201449.db2.gz DMGWTHGNIHRWPH-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001259046582 1316202422 /nfs/dbraw/zinc/20/24/22/1316202422.db2.gz LMBOJDMPCVAUQI-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259063691 1316203184 /nfs/dbraw/zinc/20/31/84/1316203184.db2.gz NKVCVWCEOIYMOH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069712 1316204188 /nfs/dbraw/zinc/20/41/88/1316204188.db2.gz PIYOTOQLDCHBPT-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1c(F)cccc1F ZINC001259071285 1316204833 /nfs/dbraw/zinc/20/48/33/1316204833.db2.gz NRBJXHKXNOABDF-UHFFFAOYSA-N -1 0 343.195 2.736 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C#N)c1C ZINC001259074243 1316205148 /nfs/dbraw/zinc/20/51/48/1316205148.db2.gz PMMMOPXCRCKTDL-UHFFFAOYSA-N -1 0 330.287 2.986 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC001259074731 1316205457 /nfs/dbraw/zinc/20/54/57/1316205457.db2.gz PETKYMQQFSQNFF-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259073753 1316205474 /nfs/dbraw/zinc/20/54/74/1316205474.db2.gz VAOSRKRBJBMWAZ-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1ccc(F)c(F)c1F ZINC001259080364 1316205835 /nfs/dbraw/zinc/20/58/35/1316205835.db2.gz JSJCOIVZXUPMSF-UHFFFAOYSA-N -1 0 343.195 2.580 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1C#N ZINC001259079665 1316206038 /nfs/dbraw/zinc/20/60/38/1316206038.db2.gz LQFWOTIOTOAJTA-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091306 1316207526 /nfs/dbraw/zinc/20/75/26/1316207526.db2.gz XACUIPPGSCJEMT-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090848 1316207675 /nfs/dbraw/zinc/20/76/75/1316207675.db2.gz AHDDNNFYVIYJHN-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091402 1316207725 /nfs/dbraw/zinc/20/77/25/1316207725.db2.gz DBKOWQUJIZZLAX-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(F)c(F)cc2F)c(Cl)c1 ZINC001259106957 1316210244 /nfs/dbraw/zinc/21/02/44/1316210244.db2.gz VDQMFPIYWKWOTA-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3nccn32)c(Cl)c1 ZINC001259106174 1316210292 /nfs/dbraw/zinc/21/02/92/1316210292.db2.gz AXKUGUHVEQLMJA-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1O ZINC001259106445 1316210457 /nfs/dbraw/zinc/21/04/57/1316210457.db2.gz MGCYAKFWDARBIR-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259106745 1316210497 /nfs/dbraw/zinc/21/04/97/1316210497.db2.gz FNZHERDUWDVZFE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)c(Cl)c1 ZINC001259107769 1316210645 /nfs/dbraw/zinc/21/06/45/1316210645.db2.gz PXVLEAKRIGBTPV-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107415 1316210680 /nfs/dbraw/zinc/21/06/80/1316210680.db2.gz WDPHWYITTSVEGJ-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1CO ZINC001259113240 1316210915 /nfs/dbraw/zinc/21/09/15/1316210915.db2.gz LHMRYMRLSJECIN-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c(Cl)c1 ZINC001259112218 1316211077 /nfs/dbraw/zinc/21/10/77/1316211077.db2.gz UGIAAJCNMYRIKR-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259113121 1316211097 /nfs/dbraw/zinc/21/10/97/1316211097.db2.gz FCALUAASHMSQHT-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1cc(CO)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259113111 1316211144 /nfs/dbraw/zinc/21/11/44/1316211144.db2.gz DRWSILQDJLNYHK-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cc1Cl ZINC001259131961 1316213289 /nfs/dbraw/zinc/21/32/89/1316213289.db2.gz NXBOWLUGHNWGHM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c(Cl)c1 ZINC001259112891 1316211244 /nfs/dbraw/zinc/21/12/44/1316211244.db2.gz QINQCPJNGGARAI-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259113726 1316211266 /nfs/dbraw/zinc/21/12/66/1316211266.db2.gz JXRSXDFMBPVPQY-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM CC(C)c1c(Cl)ncnc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259119356 1316211551 /nfs/dbraw/zinc/21/15/51/1316211551.db2.gz WIBRQIMWWKHGSS-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccn2)c1 ZINC001259118868 1316211607 /nfs/dbraw/zinc/21/16/07/1316211607.db2.gz UHLJNUDQNKAXPQ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnnc3ccc(Cl)cc23)c1 ZINC001259118349 1316211758 /nfs/dbraw/zinc/21/17/58/1316211758.db2.gz FVSAFHPHOVNQLZ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2snnc2-c2ccccc2)c1 ZINC001259118832 1316211831 /nfs/dbraw/zinc/21/18/31/1316211831.db2.gz ZDFUIQWJDVTNNS-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CP(C)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124387 1316212069 /nfs/dbraw/zinc/21/20/69/1316212069.db2.gz JFRUIDJDFYHISK-UHFFFAOYSA-N -1 0 334.337 2.607 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC001259125489 1316212198 /nfs/dbraw/zinc/21/21/98/1316212198.db2.gz FLCPWYNGAZZDAB-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1 ZINC001259172131 1316214656 /nfs/dbraw/zinc/21/46/56/1316214656.db2.gz ADLNGCQTEBQXEF-UHFFFAOYSA-N -1 0 347.396 2.847 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1 ZINC001259178457 1316215616 /nfs/dbraw/zinc/21/56/16/1316215616.db2.gz NYCWLDRAGKSWRC-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1 ZINC001259177885 1316215796 /nfs/dbraw/zinc/21/57/96/1316215796.db2.gz YHXLQMKJBFFSJW-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)c1 ZINC001259184255 1316216550 /nfs/dbraw/zinc/21/65/50/1316216550.db2.gz GMIKJHBPMUSDQE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001259183999 1316216760 /nfs/dbraw/zinc/21/67/60/1316216760.db2.gz QGXARDSFJXYLEY-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001259197880 1316218734 /nfs/dbraw/zinc/21/87/34/1316218734.db2.gz QZLRFFKYRUOTJY-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2OC)cc1C#N ZINC001259204908 1316220054 /nfs/dbraw/zinc/22/00/54/1316220054.db2.gz YGDFJIDUJAYPNX-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1 ZINC001259205742 1316220176 /nfs/dbraw/zinc/22/01/76/1316220176.db2.gz JNFUUZLROROIBA-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259282721 1316224875 /nfs/dbraw/zinc/22/48/75/1316224875.db2.gz XPTCVPPDWKAQFV-UHFFFAOYSA-N -1 0 331.473 2.506 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccn2)ccc1N1CCCCC1 ZINC001259288495 1316225459 /nfs/dbraw/zinc/22/54/59/1316225459.db2.gz TXDWJCRFSJWTIF-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccn2)c(OC(F)(F)F)c1 ZINC001259287950 1316225477 /nfs/dbraw/zinc/22/54/77/1316225477.db2.gz QVFJGHWERXRFJA-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccccn2)c1 ZINC001259288535 1316225538 /nfs/dbraw/zinc/22/55/38/1316225538.db2.gz VRULAHORLLYDPG-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001259295088 1316226376 /nfs/dbraw/zinc/22/63/76/1316226376.db2.gz DYMSVNXYKVWLPQ-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C#N ZINC001259307023 1316227977 /nfs/dbraw/zinc/22/79/77/1316227977.db2.gz GFIBUZVEOMYPNF-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311536 1316228513 /nfs/dbraw/zinc/22/85/13/1316228513.db2.gz IKYFXWUKDGJTOB-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C#N ZINC001259350443 1316231944 /nfs/dbraw/zinc/23/19/44/1316231944.db2.gz NNRLHMVTQVXTLW-UHFFFAOYSA-N -1 0 347.396 2.579 20 30 EFEDRM N#CCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC001259369135 1316233959 /nfs/dbraw/zinc/23/39/59/1316233959.db2.gz PMHAWWCJPCWTFZ-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259384096 1316235791 /nfs/dbraw/zinc/23/57/91/1316235791.db2.gz SPXSMTSVBDYLPA-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)cc1 ZINC001259407088 1316238924 /nfs/dbraw/zinc/23/89/24/1316238924.db2.gz LUWMHKIWNOROBT-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC001259411860 1316239239 /nfs/dbraw/zinc/23/92/39/1316239239.db2.gz ICJINENFKVLDFR-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n(CC2CCC2)n1 ZINC001259412539 1316239408 /nfs/dbraw/zinc/23/94/08/1316239408.db2.gz BSAJQNKMCJQRQF-UHFFFAOYSA-N -1 0 348.403 2.803 20 30 EFEDRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259419129 1316240368 /nfs/dbraw/zinc/24/03/68/1316240368.db2.gz KOQGDDUQOBNPQH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)ccc1F ZINC001259418418 1316240487 /nfs/dbraw/zinc/24/04/87/1316240487.db2.gz AJJBUSKBEOPGME-UHFFFAOYSA-N -1 0 330.340 2.627 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)ccc1F ZINC001259419073 1316240551 /nfs/dbraw/zinc/24/05/51/1316240551.db2.gz HPGHGSYBCOJCLA-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1 ZINC001259424877 1316241654 /nfs/dbraw/zinc/24/16/54/1316241654.db2.gz NGIDPKYKNAWUEP-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259424883 1316241806 /nfs/dbraw/zinc/24/18/06/1316241806.db2.gz NKMVSOJHPYZFAA-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C#N)c1 ZINC001259452894 1316244969 /nfs/dbraw/zinc/24/49/69/1316244969.db2.gz AZXQQXGNQQXWFL-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259453771 1316245039 /nfs/dbraw/zinc/24/50/39/1316245039.db2.gz GUORPZKNBNSRAT-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(O)c1 ZINC001259458348 1316245685 /nfs/dbraw/zinc/24/56/85/1316245685.db2.gz NGCHXCUOBVPALC-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C#N)c1 ZINC001259464723 1316246916 /nfs/dbraw/zinc/24/69/16/1316246916.db2.gz YYDCHBZDQJGJOI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(O)c1 ZINC001259469347 1316247354 /nfs/dbraw/zinc/24/73/54/1316247354.db2.gz DHJDAJPSWAHSFR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1F ZINC001259475245 1316248419 /nfs/dbraw/zinc/24/84/19/1316248419.db2.gz DEGAZZTWCCMESR-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259500551 1316252146 /nfs/dbraw/zinc/25/21/46/1316252146.db2.gz ZRUJJGUUHMJDQZ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C#N)c1 ZINC001259500665 1316252331 /nfs/dbraw/zinc/25/23/31/1316252331.db2.gz XNFQRXVDIHJSST-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1cccnc1 ZINC001259602205 1316260606 /nfs/dbraw/zinc/26/06/06/1316260606.db2.gz NXESUJWSLRRJSR-UHFFFAOYSA-N -1 0 331.473 2.506 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259613846 1316262133 /nfs/dbraw/zinc/26/21/33/1316262133.db2.gz ATLCMJXKJBDPSI-UHFFFAOYSA-N -1 0 342.442 2.728 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619546 1316262911 /nfs/dbraw/zinc/26/29/11/1316262911.db2.gz UOQIDIREGMKUCC-UHFFFAOYSA-N -1 0 349.456 2.548 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c1 ZINC001259632509 1316264876 /nfs/dbraw/zinc/26/48/76/1316264876.db2.gz ZWNMMELHFZBILW-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC001259637640 1316265521 /nfs/dbraw/zinc/26/55/21/1316265521.db2.gz KEJJPKVQLYASAP-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC001259637766 1316265660 /nfs/dbraw/zinc/26/56/60/1316265660.db2.gz QZEMAMOAONYPEH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)c(C#N)c1 ZINC001259737781 1316270012 /nfs/dbraw/zinc/27/00/12/1316270012.db2.gz FUAMEWFHEQIQBY-UHFFFAOYSA-N -1 0 328.393 2.745 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1 ZINC001259748517 1316271956 /nfs/dbraw/zinc/27/19/56/1316271956.db2.gz MYUGOHDJVRZASQ-UHFFFAOYSA-N -1 0 325.393 2.989 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259766797 1316274872 /nfs/dbraw/zinc/27/48/72/1316274872.db2.gz OXFXELGTTLMSIK-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259767124 1316275299 /nfs/dbraw/zinc/27/52/99/1316275299.db2.gz CXNREZAQHVIRKW-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259773065 1316276223 /nfs/dbraw/zinc/27/62/23/1316276223.db2.gz FQCPVLFXHGPUAC-UHFFFAOYSA-N -1 0 343.383 2.862 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C#C[Si](C)(C)C)cc2)cn1 ZINC001259837857 1316285321 /nfs/dbraw/zinc/28/53/21/1316285321.db2.gz KUVJTAFBNNVTLA-UHFFFAOYSA-N -1 0 347.516 2.933 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259856026 1316287581 /nfs/dbraw/zinc/28/75/81/1316287581.db2.gz YFNYLSQXAFYDGL-UHFFFAOYSA-N -1 0 344.440 2.799 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259856330 1316287874 /nfs/dbraw/zinc/28/78/74/1316287874.db2.gz ZUAGYIDVOYYOCT-UHFFFAOYSA-N -1 0 333.800 2.896 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259861563 1316288218 /nfs/dbraw/zinc/28/82/18/1316288218.db2.gz SOPTXPHKSRQFDS-UHFFFAOYSA-N -1 0 346.383 2.995 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C#N ZINC001259861472 1316288303 /nfs/dbraw/zinc/28/83/03/1316288303.db2.gz MOZMLNFYMCRNPD-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1c(Br)ccc([N-]S(=O)(=O)CC(C)C)c1C#N ZINC001259887323 1316292610 /nfs/dbraw/zinc/29/26/10/1316292610.db2.gz WOWGNVNDFFFRKZ-UHFFFAOYSA-N -1 0 347.234 2.727 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2nsc3ncccc23)cc1 ZINC001260038813 1316310157 /nfs/dbraw/zinc/31/01/57/1316310157.db2.gz ZJNDJQSVAVLFFR-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044940 1316310849 /nfs/dbraw/zinc/31/08/49/1316310849.db2.gz RYWIHEOXMHTABJ-UHFFFAOYSA-N -1 0 332.356 2.842 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1C#N ZINC001260085862 1316313861 /nfs/dbraw/zinc/31/38/61/1316313861.db2.gz MRXYIGBKYJVRFH-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)c2ccncc12 ZINC001260088316 1316314280 /nfs/dbraw/zinc/31/42/80/1316314280.db2.gz ZVVXSNFKJOHYTA-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c1 ZINC001260087230 1316314667 /nfs/dbraw/zinc/31/46/67/1316314667.db2.gz JKBFHOIDFLSNKX-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1sc2ccccc2c1C#N ZINC001260105572 1316316313 /nfs/dbraw/zinc/31/63/13/1316316313.db2.gz HLFAHJYVYNZIGN-UHFFFAOYSA-N -1 0 346.437 2.924 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(C#N)c1 ZINC001260129445 1316317672 /nfs/dbraw/zinc/31/76/72/1316317672.db2.gz FUHQIVPMVIGYGM-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM CC(C)(C#N)c1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189639 1316321422 /nfs/dbraw/zinc/32/14/22/1316321422.db2.gz SMHZILBKFCRTOS-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228492 1316324743 /nfs/dbraw/zinc/32/47/43/1316324743.db2.gz HGRWGKJTXLTNAV-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279217 1316327857 /nfs/dbraw/zinc/32/78/57/1316327857.db2.gz RJELWRAQSBEEDC-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c(C#N)c1 ZINC001260278272 1316328007 /nfs/dbraw/zinc/32/80/07/1316328007.db2.gz CHUOCYKPJZROAO-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC001260297497 1316330336 /nfs/dbraw/zinc/33/03/36/1316330336.db2.gz IMABYBSYNDIQTQ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1C#N ZINC001260297901 1316330360 /nfs/dbraw/zinc/33/03/60/1316330360.db2.gz GOQFRCJPSMTWNU-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001260298242 1316330377 /nfs/dbraw/zinc/33/03/77/1316330377.db2.gz DWJKRLKXHANRLE-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC001260297576 1316330631 /nfs/dbraw/zinc/33/06/31/1316330631.db2.gz NFMPFDLSZIDCCF-UHFFFAOYSA-N -1 0 331.393 2.816 20 30 EFEDRM C=CCCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260331916 1316332264 /nfs/dbraw/zinc/33/22/64/1316332264.db2.gz YYMHAXKIPVHVGA-UHFFFAOYSA-N -1 0 326.162 2.582 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1C#N ZINC001260354132 1316334164 /nfs/dbraw/zinc/33/41/64/1316334164.db2.gz QVNJICUXSZEKEC-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260387731 1316336684 /nfs/dbraw/zinc/33/66/84/1316336684.db2.gz MJSQIQFPWZRHKM-UHFFFAOYSA-N -1 0 344.421 2.926 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3nsnc32)c1C#N ZINC001260388873 1316337144 /nfs/dbraw/zinc/33/71/44/1316337144.db2.gz FTZUFRRVBPSATK-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C[C@@H](C#N)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001260399071 1316337402 /nfs/dbraw/zinc/33/74/02/1316337402.db2.gz RFIILGMZYNGZTR-JTQLQIEISA-N -1 0 346.364 2.518 20 30 EFEDRM C[C@H](C#N)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001260399072 1316337555 /nfs/dbraw/zinc/33/75/55/1316337555.db2.gz RFIILGMZYNGZTR-SNVBAGLBSA-N -1 0 346.364 2.518 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)c1C#N ZINC001260526578 1316343551 /nfs/dbraw/zinc/34/35/51/1316343551.db2.gz ZTEMJLJAXJRURX-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260621174 1316348941 /nfs/dbraw/zinc/34/89/41/1316348941.db2.gz HFGBZWJYGONEHQ-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cc1 ZINC001260566455 1316346391 /nfs/dbraw/zinc/34/63/91/1316346391.db2.gz HRQULYIINRITDM-UHFFFAOYSA-N -1 0 332.429 2.825 20 30 EFEDRM O=S(=O)(Cc1ccccc1F)[N-]C(C(F)(F)F)C(F)(F)F ZINC001260630673 1316350732 /nfs/dbraw/zinc/35/07/32/1316350732.db2.gz YDUPNCRGVRGBRH-UHFFFAOYSA-N -1 0 339.232 2.738 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1C ZINC001260633104 1316351056 /nfs/dbraw/zinc/35/10/56/1316351056.db2.gz JOWYRDDCKGNRQE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)cc1C ZINC001260632845 1316351196 /nfs/dbraw/zinc/35/11/96/1316351196.db2.gz WHEJEKMNLMJTPG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)cc1C ZINC001260638304 1316352260 /nfs/dbraw/zinc/35/22/60/1316352260.db2.gz BNCREWBYBMUPBW-UHFFFAOYSA-N -1 0 336.344 2.521 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)c(OC)c1 ZINC001260649719 1316353923 /nfs/dbraw/zinc/35/39/23/1316353923.db2.gz IIQPXEXNWPAOAY-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2OC)c1 ZINC001260650268 1316354106 /nfs/dbraw/zinc/35/41/06/1316354106.db2.gz ZRVADTRMSOOHJB-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)cc1F ZINC001260656878 1316355422 /nfs/dbraw/zinc/35/54/22/1316355422.db2.gz ZEXKREFNCIGEPP-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1F ZINC001260656927 1316355504 /nfs/dbraw/zinc/35/55/04/1316355504.db2.gz BXVGIJKOWQJTOT-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1F ZINC001260663023 1316356575 /nfs/dbraw/zinc/35/65/75/1316356575.db2.gz HUOCELPSQRRBDK-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC001260706715 1316361560 /nfs/dbraw/zinc/36/15/60/1316361560.db2.gz HTFDKVMBCOVWBA-UHFFFAOYSA-N -1 0 337.426 2.935 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(C#N)n3)ccc2O1 ZINC001260712509 1316361669 /nfs/dbraw/zinc/36/16/69/1316361669.db2.gz HIEAQVAMLOVOQR-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM CC[C@@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001260726900 1316363214 /nfs/dbraw/zinc/36/32/14/1316363214.db2.gz XCTKDXSMTVOBMT-SNVBAGLBSA-N -1 0 338.820 2.938 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)cc1C#N ZINC001260771046 1316367396 /nfs/dbraw/zinc/36/73/96/1316367396.db2.gz URAWDRAZXMZZCT-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ncccc1C#N ZINC001260778725 1316368181 /nfs/dbraw/zinc/36/81/81/1316368181.db2.gz IXMLYPKQXOYGGL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c1 ZINC001260809750 1316370361 /nfs/dbraw/zinc/37/03/61/1316370361.db2.gz AQTYKBCBWLXODN-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC001260810983 1316370858 /nfs/dbraw/zinc/37/08/58/1316370858.db2.gz YFERCCAFPWBFRA-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C#N)n1 ZINC001260817970 1316371327 /nfs/dbraw/zinc/37/13/27/1316371327.db2.gz AEYQVXBFXFEJNX-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#Cc1coc(CNS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260882468 1316375088 /nfs/dbraw/zinc/37/50/88/1316375088.db2.gz NRSVLJNZNBKEME-UHFFFAOYSA-N -1 0 347.179 2.642 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)cc1Cl ZINC001260967886 1316378635 /nfs/dbraw/zinc/37/86/35/1316378635.db2.gz HMZBDTLNZRDJEN-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260978404 1316379884 /nfs/dbraw/zinc/37/98/84/1316379884.db2.gz PPLFXCAOCOBHLW-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260982631 1316380830 /nfs/dbraw/zinc/38/08/30/1316380830.db2.gz XCEDEWJDPQNZFC-UHFFFAOYSA-N -1 0 328.393 2.943 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c1C ZINC001260990668 1316381454 /nfs/dbraw/zinc/38/14/54/1316381454.db2.gz MIAODINXVAOYCL-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C#N ZINC001261077480 1316388776 /nfs/dbraw/zinc/38/87/76/1316388776.db2.gz YHPPOEMTPOLQSE-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC001261292124 1316402434 /nfs/dbraw/zinc/40/24/34/1316402434.db2.gz UZPWUGARVKOLLY-HNNXBMFYSA-N -1 0 329.400 2.922 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001261292285 1316402526 /nfs/dbraw/zinc/40/25/26/1316402526.db2.gz ZVUUYTYJODCTHG-ULQDDVLXSA-N -1 0 346.427 2.791 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC001261889289 1316436382 /nfs/dbraw/zinc/43/63/82/1316436382.db2.gz UIWILQVBWGQELX-JOYOIKCWSA-N -1 0 346.305 2.975 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC001261889287 1316436417 /nfs/dbraw/zinc/43/64/17/1316436417.db2.gz UIWILQVBWGQELX-BXKDBHETSA-N -1 0 346.305 2.975 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001262178291 1316451074 /nfs/dbraw/zinc/45/10/74/1316451074.db2.gz WPVYKOXJZVCATN-LBPRGKRZSA-N -1 0 328.195 2.864 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c(C)n1CC1CC1 ZINC001263291756 1316528305 /nfs/dbraw/zinc/52/83/05/1316528305.db2.gz HMEDJHNSFQNFMC-QGZVFWFLSA-N -1 0 327.428 2.896 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC001263313989 1316529610 /nfs/dbraw/zinc/52/96/10/1316529610.db2.gz BKCXMAAGOFJXNI-ZDUSSCGKSA-N -1 0 347.802 2.680 20 30 EFEDRM N#CCc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263375492 1316539066 /nfs/dbraw/zinc/53/90/66/1316539066.db2.gz QNYSNLTWQPVOHU-HNNXBMFYSA-N -1 0 327.347 2.768 20 30 EFEDRM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263386578 1316540485 /nfs/dbraw/zinc/54/04/85/1316540485.db2.gz XOZUBHGBXLSJEK-MNOVXSKESA-N -1 0 331.372 2.980 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cc1 ZINC001319639973 1328935230 /nfs/dbraw/zinc/93/52/30/1328935230.db2.gz CVIGUEQGJUOEEG-UHFFFAOYSA-N -1 0 346.393 2.665 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC001321110597 1329344418 /nfs/dbraw/zinc/34/44/18/1329344418.db2.gz NUSIBAABWHDICD-CQSZACIVSA-N -1 0 347.396 2.873 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001321167602 1329351674 /nfs/dbraw/zinc/35/16/74/1329351674.db2.gz ZZTSGDKWEKGESF-PELKAZGASA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001321167605 1329351769 /nfs/dbraw/zinc/35/17/69/1329351769.db2.gz ZZTSGDKWEKGESF-UFBFGSQYSA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(C)c1)C(=O)[O-] ZINC001321276532 1329366515 /nfs/dbraw/zinc/36/65/15/1329366515.db2.gz JBGQSQVRTZPJHG-AWEZNQCLSA-N -1 0 349.456 2.699 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC001321340474 1329374954 /nfs/dbraw/zinc/37/49/54/1329374954.db2.gz WVZHYQYLUULOJM-JTQLQIEISA-N -1 0 332.219 2.589 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC001321657742 1329401538 /nfs/dbraw/zinc/40/15/38/1329401538.db2.gz JPGXSOGKPCDAJU-HTQZYQBOSA-N -1 0 332.219 2.760 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC001321657403 1329401674 /nfs/dbraw/zinc/40/16/74/1329401674.db2.gz GTEHJONTIDWYLP-UONOGXRCSA-N -1 0 325.792 2.889 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC001321657744 1329401675 /nfs/dbraw/zinc/40/16/75/1329401675.db2.gz JPGXSOGKPCDAJU-SFYZADRCSA-N -1 0 332.219 2.760 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC001322598423 1329471165 /nfs/dbraw/zinc/47/11/65/1329471165.db2.gz CRGPAIMVKQDCKO-QGZVFWFLSA-N -1 0 326.396 2.912 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)[O-] ZINC001322600644 1329471195 /nfs/dbraw/zinc/47/11/95/1329471195.db2.gz NJXJGHMWXONHJS-HNNXBMFYSA-N -1 0 326.352 2.516 20 30 EFEDRM CC[C@H](O)CNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001323991708 1329589611 /nfs/dbraw/zinc/58/96/11/1329589611.db2.gz RJOUGARWANXYLE-KRWDZBQOSA-N -1 0 342.395 2.658 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)N(CC)C2CCCCC2)CCC1 ZINC001324530536 1329636543 /nfs/dbraw/zinc/63/65/43/1329636543.db2.gz NRNSWJVKIADQNX-UHFFFAOYSA-N -1 0 328.478 2.748 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001324653375 1329648242 /nfs/dbraw/zinc/64/82/42/1329648242.db2.gz ZEFWQQCHTIUPDD-ONGXEEELSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CC[C@@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC001325144259 1329673408 /nfs/dbraw/zinc/67/34/08/1329673408.db2.gz QRIOQWCAVMKKBT-GFCCVEGCSA-N -1 0 334.372 2.632 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(Br)cc1C)C(=O)[O-] ZINC001326930095 1330385506 /nfs/dbraw/zinc/38/55/06/1330385506.db2.gz IVAWXZIXZHTFQD-LBPRGKRZSA-N -1 0 341.205 2.586 20 30 EFEDRM C[C@@H](O)CN(C)N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001327459221 1330481535 /nfs/dbraw/zinc/48/15/35/1330481535.db2.gz BZRWUAJUASFWOH-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM COc1cc(C=NNc2ccc(C(C)(C)C)nn2)cc([N+](=O)[O-])c1[O-] ZINC001328716118 1330619682 /nfs/dbraw/zinc/61/96/82/1330619682.db2.gz PRARWPQVNRJRCK-UHFFFAOYSA-N -1 0 345.359 2.843 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1cccc(Cl)c1 ZINC001329963348 1330756826 /nfs/dbraw/zinc/75/68/26/1330756826.db2.gz ALBAFKVJPCKGFE-CQSZACIVSA-N -1 0 342.848 2.973 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(SC)cc2)CC1 ZINC001331445177 1330838031 /nfs/dbraw/zinc/83/80/31/1330838031.db2.gz DAUMBKNUOHADKS-UHFFFAOYSA-N -1 0 325.455 2.960 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(OCC)cc2C)CC1 ZINC001331468836 1330840595 /nfs/dbraw/zinc/84/05/95/1330840595.db2.gz PUOUXEPRTCEURO-UHFFFAOYSA-N -1 0 337.441 2.945 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC001331915847 1330889349 /nfs/dbraw/zinc/88/93/49/1330889349.db2.gz QEGOZEUNTOOTFD-UHFFFAOYSA-N -1 0 343.832 2.682 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(OCCC)cc1 ZINC001331913879 1330889456 /nfs/dbraw/zinc/88/94/56/1330889456.db2.gz DCZPALZVLVZKBO-UHFFFAOYSA-N -1 0 325.430 2.883 20 30 EFEDRM CC(N=Nc1ccnc2cccnc12)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001333221243 1331095412 /nfs/dbraw/zinc/09/54/12/1331095412.db2.gz SMSKZEWKAZKUJT-OLZOCXBDSA-N -1 0 326.400 2.977 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC001333331532 1331118962 /nfs/dbraw/zinc/11/89/62/1331118962.db2.gz BBBGHRMFXMNFNA-ZWNOBZJWSA-N -1 0 340.217 2.773 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1CC)C(=O)[O-] ZINC001333521057 1331159146 /nfs/dbraw/zinc/15/91/46/1331159146.db2.gz BXPLCVSTTNPMIY-CQSZACIVSA-N -1 0 327.384 2.502 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001333659613 1331189059 /nfs/dbraw/zinc/18/90/59/1331189059.db2.gz MYYZLNLVXILCNI-RNFRBKRXSA-N -1 0 337.323 2.551 20 30 EFEDRM C=CCC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001334055214 1331242905 /nfs/dbraw/zinc/24/29/05/1331242905.db2.gz KARFUZWJYSLAOA-LLVKDONJSA-N -1 0 332.169 2.803 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H](C)CC1 ZINC001338694732 1331726200 /nfs/dbraw/zinc/72/62/00/1331726200.db2.gz YTNUHDONWIEEBS-ZDUSSCGKSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338709161 1331727813 /nfs/dbraw/zinc/72/78/13/1331727813.db2.gz LDOGWDYPPWHBGV-TXEJJXNPSA-N -1 0 340.431 2.596 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001339015143 1331769904 /nfs/dbraw/zinc/76/99/04/1331769904.db2.gz SVXIIIQVVRRDAC-VXGBXAGGSA-N -1 0 341.371 2.591 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)CC1CCC1 ZINC001339157072 1331805200 /nfs/dbraw/zinc/80/52/00/1331805200.db2.gz DBXHCAOPDWDFTL-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM C=CCN(C)c1nnc(-c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1CC ZINC001339534407 1331891505 /nfs/dbraw/zinc/89/15/05/1331891505.db2.gz IUMLPPZCLFPQJZ-UHFFFAOYSA-N -1 0 337.767 2.854 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC001339753190 1331950976 /nfs/dbraw/zinc/95/09/76/1331950976.db2.gz DWMOFEIGTLYVLL-LLVKDONJSA-N -1 0 332.278 2.779 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)CCC(C)(C)C ZINC001339815022 1332104028 /nfs/dbraw/zinc/10/40/28/1332104028.db2.gz SAGCAXGGDJKNHM-UHFFFAOYSA-N -1 0 340.431 2.976 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@H](C)CC ZINC001339815074 1332104350 /nfs/dbraw/zinc/10/43/50/1332104350.db2.gz UFWWIYDRLIADLZ-GFCCVEGCSA-N -1 0 326.404 2.586 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1 ZINC001339942697 1332118225 /nfs/dbraw/zinc/11/82/25/1332118225.db2.gz SRVCPHZJHYODEZ-UHFFFAOYSA-N -1 0 330.344 2.569 20 30 EFEDRM C=CC[C@@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C1 ZINC001341371538 1332254683 /nfs/dbraw/zinc/25/46/83/1332254683.db2.gz KYUGHYHFHHROQG-GFCCVEGCSA-N -1 0 343.387 2.888 20 30 EFEDRM CCCCCN(c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C)C(C)C ZINC001341378512 1332255924 /nfs/dbraw/zinc/25/59/24/1332255924.db2.gz WVMIINKTJWPYJU-UHFFFAOYSA-N -1 0 328.420 2.859 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2scnc2c1 ZINC001342020652 1332295511 /nfs/dbraw/zinc/29/55/11/1332295511.db2.gz LUNZBZNZERCDBB-CYBMUJFWSA-N -1 0 345.424 2.550 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001342027374 1332296579 /nfs/dbraw/zinc/29/65/79/1332296579.db2.gz YEFVGNYRZXTPFU-OLZOCXBDSA-N -1 0 330.436 2.535 20 30 EFEDRM CCc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)nn1C ZINC001342028661 1332296645 /nfs/dbraw/zinc/29/66/45/1332296645.db2.gz XEUJECYTGPWSRM-AWEZNQCLSA-N -1 0 334.379 2.978 20 30 EFEDRM CCc1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)nn1C ZINC001342028662 1332296656 /nfs/dbraw/zinc/29/66/56/1332296656.db2.gz XEUJECYTGPWSRM-CQSZACIVSA-N -1 0 334.379 2.978 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)CCC(C)C ZINC001342053550 1332298913 /nfs/dbraw/zinc/29/89/13/1332298913.db2.gz LXCQBXZHRYXSFW-UHFFFAOYSA-N -1 0 340.431 2.976 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)F)cc1F ZINC001342112406 1332305834 /nfs/dbraw/zinc/30/58/34/1332305834.db2.gz ZFUGVSUBGLBGAU-LBPRGKRZSA-N -1 0 340.301 2.808 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001342249380 1332324036 /nfs/dbraw/zinc/32/40/36/1332324036.db2.gz ZGVSCRWMGBFTHJ-KBPBESRZSA-N -1 0 344.463 2.926 20 30 EFEDRM CCc1ccc(Br)cc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC001343473367 1332349063 /nfs/dbraw/zinc/34/90/63/1332349063.db2.gz JSHNUVLBRCELLI-AWEZNQCLSA-N -1 0 349.228 2.956 20 30 EFEDRM N#C[C@H](C(=O)c1cnc2n1CCCCC2)c1nc(N)c2ccccc2n1 ZINC001343502496 1332351398 /nfs/dbraw/zinc/35/13/98/1332351398.db2.gz XFRQIJYALNEHHE-CYBMUJFWSA-N -1 0 346.394 2.625 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c2occc21 ZINC001343564570 1332358532 /nfs/dbraw/zinc/35/85/32/1332358532.db2.gz YOLGMRZIFWXMRD-CQSZACIVSA-N -1 0 346.358 2.826 20 30 EFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001343586448 1332360283 /nfs/dbraw/zinc/36/02/83/1332360283.db2.gz ZHXJTAHPKGBMQF-INIZCTEOSA-N -1 0 330.409 2.555 20 30 EFEDRM Cc1coc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1C ZINC001344428210 1332452115 /nfs/dbraw/zinc/45/21/15/1332452115.db2.gz XZRZRYXUEILREG-LBPRGKRZSA-N -1 0 332.306 2.814 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)C(=O)[O-] ZINC001344464902 1332455712 /nfs/dbraw/zinc/45/57/12/1332455712.db2.gz OYQSSUFWOOAYMX-AWEZNQCLSA-N -1 0 342.355 2.728 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCOc1ccc2ccccc2c1)C(=O)[O-] ZINC001344464494 1332455839 /nfs/dbraw/zinc/45/58/39/1332455839.db2.gz KMDYUEPHMONPEM-QGZVFWFLSA-N -1 0 342.395 2.937 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c2OCC3)c1 ZINC001344571708 1332463675 /nfs/dbraw/zinc/46/36/75/1332463675.db2.gz SVLMCIWXBCTCCO-KRWDZBQOSA-N -1 0 334.375 2.569 20 30 EFEDRM CC1=CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC(C)C)CC1 ZINC001345073412 1332506976 /nfs/dbraw/zinc/50/69/76/1332506976.db2.gz YYPSUEMKNAGORN-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM C=C(C)Cn1c(-c2cc(=O)[nH]c(C)n2)nnc1N(C)[C@@H](C)C1CC1 ZINC001345973104 1332589293 /nfs/dbraw/zinc/58/92/93/1332589293.db2.gz FGTLSXLEKKYAPY-NSHDSACASA-N -1 0 328.420 2.560 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C ZINC001346229783 1332615362 /nfs/dbraw/zinc/61/53/62/1332615362.db2.gz XZMUJTIGBXUKAU-QGZVFWFLSA-N -1 0 326.396 2.969 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)CCCC ZINC001346248563 1332617861 /nfs/dbraw/zinc/61/78/61/1332617861.db2.gz OCJOQQZMTKEJLP-UHFFFAOYSA-N -1 0 326.404 2.730 20 30 EFEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001347064302 1332715360 /nfs/dbraw/zinc/71/53/60/1332715360.db2.gz WLGOQNBCMGHMGS-CQSZACIVSA-N -1 0 347.378 2.884 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cccc(F)n2)cc([N+](=O)[O-])c1C ZINC001347170126 1332721427 /nfs/dbraw/zinc/72/14/27/1332721427.db2.gz HDVGQFNIFSDXKI-NSHDSACASA-N -1 0 329.287 2.936 20 30 EFEDRM C=C(C)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001349931986 1333015543 /nfs/dbraw/zinc/01/55/43/1333015543.db2.gz MGPWQWSVFFLILU-OAHLLOKOSA-N -1 0 347.411 2.961 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC(C)(C)C1 ZINC001351543466 1333247000 /nfs/dbraw/zinc/24/70/00/1333247000.db2.gz HAJBILYQQCGRBZ-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM CN(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1Cl ZINC000847623326 1334017924 /nfs/dbraw/zinc/01/79/24/1334017924.db2.gz IBAAYZMDIKEXDT-ZDUSSCGKSA-N -1 0 348.834 2.572 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccccc2)s1 ZINC000847624673 1334023293 /nfs/dbraw/zinc/02/32/93/1334023293.db2.gz WLSXVBDNHGSZJS-CQSZACIVSA-N -1 0 342.420 2.809 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001354293238 1334216358 /nfs/dbraw/zinc/21/63/58/1334216358.db2.gz MEMNENQXRDKYGA-CZUORRHYSA-N -1 0 331.416 2.676 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c1F ZINC001200676928 1334325302 /nfs/dbraw/zinc/32/53/02/1334325302.db2.gz ZQHBMMRCDRBQLI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000848415113 1334712799 /nfs/dbraw/zinc/71/27/99/1334712799.db2.gz WOGJPJPLSADFIA-AWEZNQCLSA-N -1 0 347.415 2.968 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ncc(Br)cn1 ZINC000848420137 1334714451 /nfs/dbraw/zinc/71/44/51/1334714451.db2.gz QLTSBNYXJREAPJ-UHFFFAOYSA-N -1 0 327.182 2.672 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CC3)c2F)C(=O)O1 ZINC000849241722 1335575275 /nfs/dbraw/zinc/57/52/75/1335575275.db2.gz LTRYREXNZIXMEQ-WHWKNOJMSA-N -1 0 330.311 2.595 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)cc1CC(=O)[O-] ZINC000849242530 1335575692 /nfs/dbraw/zinc/57/56/92/1335575692.db2.gz GZTAAOSXCSIGBY-AATRIKPKSA-N -1 0 340.379 2.825 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000849245177 1335576158 /nfs/dbraw/zinc/57/61/58/1335576158.db2.gz FYQBWXIHVHJNQY-KRZKBDHCSA-N -1 0 326.352 2.577 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000849332288 1335592453 /nfs/dbraw/zinc/59/24/53/1335592453.db2.gz LBUUNGQCKFKBSH-KUCQQTCKSA-N -1 0 335.425 2.761 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000849332289 1335592596 /nfs/dbraw/zinc/59/25/96/1335592596.db2.gz LBUUNGQCKFKBSH-MEODZPNASA-N -1 0 335.425 2.761 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000150270120 1335944211 /nfs/dbraw/zinc/94/42/11/1335944211.db2.gz RNNMPGAKIPAIGD-JTQLQIEISA-N -1 0 332.581 2.862 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)no1 ZINC001361289611 1335959080 /nfs/dbraw/zinc/95/90/80/1335959080.db2.gz BWRCXAFADRHBPE-UHFFFAOYSA-N -1 0 345.380 2.916 20 30 EFEDRM N#Cc1c(NC(=O)c2cccc(Cl)c2[O-])ncc2c1COCC2 ZINC001361411990 1336061014 /nfs/dbraw/zinc/06/10/14/1336061014.db2.gz RLTBLRCAXUGTEF-UHFFFAOYSA-N -1 0 329.743 2.637 20 30 EFEDRM CCC(C)(C)N(CCC#N)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001361417051 1336064876 /nfs/dbraw/zinc/06/48/76/1336064876.db2.gz OJHBJEFNYPDVLV-UHFFFAOYSA-N -1 0 332.429 2.925 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC001361879784 1336393501 /nfs/dbraw/zinc/39/35/01/1336393501.db2.gz QNLCUCVSLFAZAF-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccc(F)c2[O-])ccc1Br ZINC001361880938 1336393984 /nfs/dbraw/zinc/39/39/84/1336393984.db2.gz DIHHHNMUPZRSPG-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)nc1 ZINC001362506879 1336638208 /nfs/dbraw/zinc/63/82/08/1336638208.db2.gz YPQCYHPCTLHTAW-CYBMUJFWSA-N -1 0 343.770 2.606 20 30 EFEDRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001363156157 1336808703 /nfs/dbraw/zinc/80/87/03/1336808703.db2.gz RPFCXWIDXNCCIZ-LBPRGKRZSA-N -1 0 329.747 2.603 20 30 EFEDRM CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001363692963 1336997160 /nfs/dbraw/zinc/99/71/60/1336997160.db2.gz JHRQCVIZYFYSMO-UHFFFAOYSA-N -1 0 338.363 2.646 20 30 EFEDRM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001363982892 1337136023 /nfs/dbraw/zinc/13/60/23/1337136023.db2.gz JKCAJXKZMHMXLA-NXEZZACHSA-N -1 0 328.384 2.939 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2c3ccccc3OC[C@@H]2C)cc1C#N ZINC001456934851 1394871359 /nfs/dbraw/zinc/87/13/59/1394871359.db2.gz GWSBPMSETMVABJ-JTQLQIEISA-N -1 0 341.392 2.808 20 30 EFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(Cl)c(C#N)n1 ZINC001458463254 1395474493 /nfs/dbraw/zinc/47/44/93/1395474493.db2.gz RWTUGYCNKUGGMF-WPRPVWTQSA-N -1 0 346.740 2.642 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c[nH]c2ccccc12 ZINC001464647884 1396594055 /nfs/dbraw/zinc/59/40/55/1396594055.db2.gz XEUSJKXPJVKVKZ-UHFFFAOYSA-N -1 0 327.365 2.849 20 30 EFEDRM N#Cc1nc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[n-]c1C#N ZINC001469565405 1397038645 /nfs/dbraw/zinc/03/86/45/1397038645.db2.gz CPRSVOXHKRPKDR-UHFFFAOYSA-N -1 0 341.199 2.702 20 30 EFEDRM N#Cc1cccc(-c2nc(NC(=O)c3ncnc4ccsc43)n[nH]2)c1 ZINC001472634808 1397264346 /nfs/dbraw/zinc/26/43/46/1397264346.db2.gz ASGWWOCDXVQIOQ-UHFFFAOYSA-N -1 0 347.363 2.600 20 30 EFEDRM N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccccc3[O-])CC2)cc1 ZINC001475159461 1397407446 /nfs/dbraw/zinc/40/74/46/1397407446.db2.gz RQYAVHLDWBAGJG-UHFFFAOYSA-N -1 0 340.404 2.742 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000826190925 1428373704 /nfs/dbraw/zinc/37/37/04/1428373704.db2.gz RALPLKNFDZMCCR-DJWKRKHSSA-N -1 0 341.758 2.820 20 30 EFEDRM C#CCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819693372 1428600819 /nfs/dbraw/zinc/60/08/19/1428600819.db2.gz RBGGXKFTCHVBCN-UHFFFAOYSA-N -1 0 331.379 2.677 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001601056998 1413291602 /nfs/dbraw/zinc/29/16/02/1413291602.db2.gz INPDRPUXLAQMAF-CYBMUJFWSA-N -1 0 327.153 2.585 20 30 EFEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC000820005383 1428725914 /nfs/dbraw/zinc/72/59/14/1428725914.db2.gz PNYCMJDIHFKWGJ-UHFFFAOYSA-N -1 0 349.350 2.501 20 30 EFEDRM N#Cc1cc(F)cc(Cl)c1OS(=O)(=O)CCCCCC(=O)[O-] ZINC001601088917 1413419566 /nfs/dbraw/zinc/41/95/66/1413419566.db2.gz AFDZNJMPGVXYQQ-UHFFFAOYSA-N -1 0 349.767 2.704 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449315 1414456114 /nfs/dbraw/zinc/45/61/14/1414456114.db2.gz ZXGBFYURYLAOCR-BBRMVZONSA-N -1 0 328.372 2.684 20 30 EFEDRM CCn1nccc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cn1 ZINC001552448820 1414456230 /nfs/dbraw/zinc/45/62/30/1414456230.db2.gz HLACSKZSPUFQCE-LRDDRELGSA-N -1 0 343.387 2.562 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449276 1414456254 /nfs/dbraw/zinc/45/62/54/1414456254.db2.gz ZGRZDUPIOOYXCV-ZFWWWQNUSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552452234 1414456767 /nfs/dbraw/zinc/45/67/67/1414456767.db2.gz DAJQCKMANYQOCA-MLGOLLRUSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452899 1414456846 /nfs/dbraw/zinc/45/68/46/1414456846.db2.gz HRVMSESVVPTSKS-NHYWBVRUSA-N -1 0 346.362 2.823 20 30 EFEDRM Cc1c(N=NC[C@@H]2CCCO[C@@H]2c2nccn2C)cccc1C(=O)[O-] ZINC001552452196 1414456893 /nfs/dbraw/zinc/45/68/93/1414456893.db2.gz CTGDYWMNPSHKHM-BBRMVZONSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452889 1414456979 /nfs/dbraw/zinc/45/69/79/1414456979.db2.gz HRVMSESVVPTSKS-ABAIWWIYSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1cc([C@@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552454844 1414457666 /nfs/dbraw/zinc/45/76/66/1414457666.db2.gz QWAODZJUHSZNSF-MLGOLLRUSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1cc([C@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552455309 1414457686 /nfs/dbraw/zinc/45/76/86/1414457686.db2.gz VUZMQYLQXSPFRZ-BZNIZROVSA-N -1 0 346.362 2.916 20 30 EFEDRM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823838897 1428852259 /nfs/dbraw/zinc/85/22/59/1428852259.db2.gz WMZMYDCAKLXODT-CQSZACIVSA-N -1 0 334.339 2.951 20 30 EFEDRM N#Cc1nc(NC(=O)c2ncccc2Oc2ccccc2)[n-]c1C#N ZINC001557255967 1415116101 /nfs/dbraw/zinc/11/61/01/1415116101.db2.gz UYEGWCKHPQCBAG-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001557255979 1415116124 /nfs/dbraw/zinc/11/61/24/1415116124.db2.gz VLGGRYBPZZDZTA-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826380052 1428888449 /nfs/dbraw/zinc/88/84/49/1428888449.db2.gz LERLUNHXXZTHGS-JKSUJKDBSA-N -1 0 334.383 2.731 20 30 EFEDRM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1O ZINC000825615982 1428985295 /nfs/dbraw/zinc/98/52/95/1428985295.db2.gz RLVHIZLWHOJEJR-XQRVVYSFSA-N -1 0 342.380 2.929 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819722772 1429054147 /nfs/dbraw/zinc/05/41/47/1429054147.db2.gz QNDKWECXHCJMQV-GFCCVEGCSA-N -1 0 331.445 2.772 20 30 EFEDRM Cc1ccccc1C[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC001646035444 1416604703 /nfs/dbraw/zinc/60/47/03/1416604703.db2.gz NMCIHVSJTFZHSL-HNNXBMFYSA-N -1 0 348.468 2.704 20 30 EFEDRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC001646232299 1416636437 /nfs/dbraw/zinc/63/64/37/1416636437.db2.gz ZNCMODKBTGVUIQ-UHFFFAOYSA-N -1 0 330.413 2.582 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822015116 1429146052 /nfs/dbraw/zinc/14/60/52/1429146052.db2.gz CSLRVZQIKUJFRP-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000824033998 1429159435 /nfs/dbraw/zinc/15/94/35/1429159435.db2.gz FDXWXYQDQSGIEB-SECBINFHSA-N -1 0 345.794 2.676 20 30 EFEDRM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(C)c1O ZINC000826266498 1429219513 /nfs/dbraw/zinc/21/95/13/1429219513.db2.gz QJTYZIVTXWQVQK-UHFFFAOYSA-N -1 0 343.778 2.684 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1Br ZINC000236425853 1418317989 /nfs/dbraw/zinc/31/79/89/1418317989.db2.gz ZAJCRQOMLRDFDY-UHFFFAOYSA-N -1 0 345.580 2.654 20 30 EFEDRM CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000825322887 1429323831 /nfs/dbraw/zinc/32/38/31/1429323831.db2.gz KWUCTTHABSXYQF-UHFFFAOYSA-N -1 0 333.399 2.546 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]1C ZINC000735418181 1429371568 /nfs/dbraw/zinc/37/15/68/1429371568.db2.gz CUVFFLPGADPYAM-CJNGLKHVSA-N -1 0 340.431 2.753 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716154 1429405704 /nfs/dbraw/zinc/40/57/04/1429405704.db2.gz LPBOWTRHMDRKBU-ZBFHGGJFSA-N -1 0 348.341 2.620 20 30 EFEDRM COc1ccc(CN=Nc2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000737080415 1429511074 /nfs/dbraw/zinc/51/10/74/1429511074.db2.gz AFXJUIYLJJSFDR-UHFFFAOYSA-N -1 0 330.298 2.600 20 30 EFEDRM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820518419 1423256449 /nfs/dbraw/zinc/25/64/49/1423256449.db2.gz DHHGSAYTEWFBIN-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821668948 1423346732 /nfs/dbraw/zinc/34/67/32/1423346732.db2.gz RJSYGMGKOXQSFG-BJMVGYQFSA-N -1 0 334.335 2.549 20 30 EFEDRM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826401087 1423431247 /nfs/dbraw/zinc/43/12/47/1423431247.db2.gz PETDZMVEWXDPCB-SNAWJCMRSA-N -1 0 326.337 2.553 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821008712 1423438534 /nfs/dbraw/zinc/43/85/34/1423438534.db2.gz KHISSGCGOQKPKH-UHFFFAOYSA-N -1 0 340.431 2.778 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821770495 1423750862 /nfs/dbraw/zinc/75/08/62/1423750862.db2.gz VLFPTIKCRQKXFA-QPJJXVBHSA-N -1 0 342.380 2.842 20 30 EFEDRM C#Cc1cccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000819709519 1423796555 /nfs/dbraw/zinc/79/65/55/1423796555.db2.gz HUPSFCMTCJMYIU-UHFFFAOYSA-N -1 0 334.408 2.965 20 30 EFEDRM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)c1 ZINC000737336921 1423919344 /nfs/dbraw/zinc/91/93/44/1423919344.db2.gz AEAPQGOTQISYTC-UHFFFAOYSA-N -1 0 346.394 2.927 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000826400655 1424037154 /nfs/dbraw/zinc/03/71/54/1424037154.db2.gz DNJYJCZKFRZUEL-GORDUTHDSA-N -1 0 338.298 2.631 20 30 EFEDRM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822829994 1429702725 /nfs/dbraw/zinc/70/27/25/1429702725.db2.gz SHHIRFNRBXIUJJ-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736618554 1424161123 /nfs/dbraw/zinc/16/11/23/1424161123.db2.gz VELMZHCQPDUZKN-LLVKDONJSA-N -1 0 347.423 2.656 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1COc1cc(Cl)ccc1C#N ZINC000826173149 1429717402 /nfs/dbraw/zinc/71/74/02/1429717402.db2.gz OYCDYWUIDYEHKP-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM N#Cc1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000826385698 1424395263 /nfs/dbraw/zinc/39/52/63/1424395263.db2.gz XEQLPMLWLFAVAW-UHFFFAOYSA-N -1 0 342.366 2.741 20 30 EFEDRM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C1CCOCC1 ZINC000820832713 1424525278 /nfs/dbraw/zinc/52/52/78/1424525278.db2.gz NDIIFYQZRMPXDM-UHFFFAOYSA-N -1 0 333.396 2.583 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480516 1424748521 /nfs/dbraw/zinc/74/85/21/1424748521.db2.gz FLOWNSWUOGMYCJ-TWGQIWQCSA-N -1 0 345.362 2.648 20 30 EFEDRM C#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374404 1425003152 /nfs/dbraw/zinc/00/31/52/1425003152.db2.gz CGCQKFRXGFTZMM-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM C=CCN(CC=C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000819742870 1429769828 /nfs/dbraw/zinc/76/98/28/1429769828.db2.gz BCJAXIPQINMRRB-UHFFFAOYSA-N -1 0 335.415 2.535 20 30 EFEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1ccccc1 ZINC000820116802 1425082657 /nfs/dbraw/zinc/08/26/57/1425082657.db2.gz OBKBJAVZOJPANT-UHFFFAOYSA-N -1 0 345.406 2.655 20 30 EFEDRM C=CCOc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823931856 1425087547 /nfs/dbraw/zinc/08/75/47/1425087547.db2.gz HXDDMRBSCQVJDG-KRWDZBQOSA-N -1 0 338.367 2.544 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824929479 1425167281 /nfs/dbraw/zinc/16/72/81/1425167281.db2.gz XWOWDIQUFBOGQU-QFYYESIMSA-N -1 0 344.806 2.722 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826379782 1425210810 /nfs/dbraw/zinc/21/08/10/1425210810.db2.gz BIDYADYKSRCTMI-WMZOPIPTSA-N -1 0 345.410 2.533 20 30 EFEDRM COc1ccc(C=CC(=O)c2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC000821786622 1425224961 /nfs/dbraw/zinc/22/49/61/1425224961.db2.gz GQWJXZCXUCDYOQ-QPJJXVBHSA-N -1 0 336.351 2.785 20 30 EFEDRM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737337535 1425427943 /nfs/dbraw/zinc/42/79/43/1425427943.db2.gz FYCMTIIIWSEDGH-UHFFFAOYSA-N -1 0 332.367 2.618 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)n21 ZINC000826305480 1425511649 /nfs/dbraw/zinc/51/16/49/1425511649.db2.gz XYUQSOQRHGAGII-WAYWQWQTSA-N -1 0 336.380 2.780 20 30 EFEDRM C#Cc1cccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819709618 1425552788 /nfs/dbraw/zinc/55/27/88/1425552788.db2.gz MGPJTUPDKYNDFR-UHFFFAOYSA-N -1 0 343.350 2.510 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403411 1425570360 /nfs/dbraw/zinc/57/03/60/1425570360.db2.gz RJKFMHDFHYRTEA-DAFODLJHSA-N -1 0 345.315 2.872 20 30 EFEDRM CCc1noc(C)c1C(C)=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825771031 1425647448 /nfs/dbraw/zinc/64/74/48/1425647448.db2.gz HKTBLGGIAARPJJ-UHFFFAOYSA-N -1 0 346.782 2.610 20 30 EFEDRM FC(F)(F)c1cc(NN=Cc2cncs2)ccc1-c1nn[n-]n1 ZINC000822723435 1425733464 /nfs/dbraw/zinc/73/34/64/1425733464.db2.gz DTDUPBSCNSGEQK-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM COc1ccc(CN=Cc2cc(Cl)ccc2O)cc1-c1nn[n-]n1 ZINC000826196170 1425770076 /nfs/dbraw/zinc/77/00/76/1425770076.db2.gz SEZSKPJPZRIJFR-NVMNQCDNSA-N -1 0 343.774 2.853 20 30 EFEDRM CCCCCCCC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825271606 1425831587 /nfs/dbraw/zinc/83/15/87/1425831587.db2.gz LJZAXJPVJILYKU-UHFFFAOYSA-N -1 0 331.420 2.852 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386715 1425980525 /nfs/dbraw/zinc/98/05/25/1425980525.db2.gz PRAMGOXOBWETPO-UHFFFAOYSA-N -1 0 345.366 2.549 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000826401790 1426057683 /nfs/dbraw/zinc/05/76/83/1426057683.db2.gz HBNOVZFYOYADNG-ALCCZGGFSA-N -1 0 334.335 2.534 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737713429 1426287935 /nfs/dbraw/zinc/28/79/35/1426287935.db2.gz XMWYAMMFGXHCSE-UHFFFAOYSA-N -1 0 345.288 2.764 20 30 EFEDRM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826167098 1426707895 /nfs/dbraw/zinc/70/78/95/1426707895.db2.gz PNUFYDKBFLMURQ-AATRIKPKSA-N -1 0 328.353 2.539 20 30 EFEDRM CCCCCCCCCN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821051164 1426858376 /nfs/dbraw/zinc/85/83/76/1426858376.db2.gz YXDRVJLOMDOSGK-UHFFFAOYSA-N -1 0 348.455 2.815 20 30 EFEDRM COc1ccc(CN=Cc2cc(Cl)ccc2O)cc1-c1nn[n-]n1 ZINC000826196169 1426865282 /nfs/dbraw/zinc/86/52/82/1426865282.db2.gz SEZSKPJPZRIJFR-GIJQJNRQSA-N -1 0 343.774 2.853 20 30 EFEDRM C#CCSCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735387922 1427051577 /nfs/dbraw/zinc/05/15/77/1427051577.db2.gz LDYAQGHYJKWADW-UHFFFAOYSA-N -1 0 327.335 2.664 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000826249689 1427076461 /nfs/dbraw/zinc/07/64/61/1427076461.db2.gz ORQUKIVXPQXIGG-UHFFFAOYSA-N -1 0 349.398 2.856 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000826190677 1427098933 /nfs/dbraw/zinc/09/89/33/1427098933.db2.gz JGMSVNFIXOAUJB-HWKANZROSA-N -1 0 342.380 2.842 20 30 EFEDRM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820322408 1427128584 /nfs/dbraw/zinc/12/85/84/1427128584.db2.gz SDFXSCRJBWAONL-WTNCMQEWSA-N -1 0 344.378 2.629 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737718650 1427219807 /nfs/dbraw/zinc/21/98/07/1427219807.db2.gz LKHPHJSZVMPBOG-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCC#Cc1ccccc1 ZINC000822936207 1427253150 /nfs/dbraw/zinc/25/31/50/1427253150.db2.gz SRRBVMJSOODOFU-YPKPFQOOSA-N -1 0 344.374 2.865 20 30 EFEDRM COCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000736965250 1427381812 /nfs/dbraw/zinc/38/18/12/1427381812.db2.gz AVMBJIZTKAMLTO-UHFFFAOYSA-N -1 0 342.325 2.956 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736616753 1427537093 /nfs/dbraw/zinc/53/70/93/1427537093.db2.gz POILFNKEIGHHJC-SNVBAGLBSA-N -1 0 347.423 2.755 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000907414408 1427711477 /nfs/dbraw/zinc/71/14/77/1427711477.db2.gz WFXLHLREZRZECC-CYBMUJFWSA-N -1 0 337.786 2.800 20 30 EFEDRM N#Cc1cccc(OC2CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737729977 1427720636 /nfs/dbraw/zinc/72/06/36/1427720636.db2.gz BIYDBKHNJVHGEE-UHFFFAOYSA-N -1 0 346.394 2.786 20 30 EFEDRM COc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821890634 1427858457 /nfs/dbraw/zinc/85/84/57/1427858457.db2.gz NKUJUSKITURTRV-UHFFFAOYSA-N -1 0 348.366 2.679 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)OCC ZINC000823873468 1428024168 /nfs/dbraw/zinc/02/41/68/1428024168.db2.gz MLGXDNRLRRDJTQ-NSHDSACASA-N -1 0 347.444 2.727 20 30 EFEDRM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826211005 1428081450 /nfs/dbraw/zinc/08/14/50/1428081450.db2.gz MEMVGPJYEOHBER-HYXAFXHYSA-N -1 0 342.380 2.842 20 30 EFEDRM O=[N+]([O-])c1ccc(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000823640127 1428090656 /nfs/dbraw/zinc/09/06/56/1428090656.db2.gz UPKXYGQBJBCQNN-UHFFFAOYSA-N -1 0 349.354 2.927 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822829871 1428112967 /nfs/dbraw/zinc/11/29/67/1428112967.db2.gz MZSFOCBIYDAVDF-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM c1ccc2c(c1)SCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823802499 1428164080 /nfs/dbraw/zinc/16/40/80/1428164080.db2.gz QPEKVRDMKYEYRV-UHFFFAOYSA-N -1 0 336.424 2.856 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735399822 1429798535 /nfs/dbraw/zinc/79/85/35/1429798535.db2.gz WLPBEVKILZNKEX-LBPRGKRZSA-N -1 0 331.445 2.772 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000822923409 1429836212 /nfs/dbraw/zinc/83/62/12/1429836212.db2.gz RCTHTMYHBGCFFY-PLNGDYQASA-N -1 0 327.325 2.733 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCCOc1ccccc1-c1nn[n-]n1 ZINC000822826471 1429867474 /nfs/dbraw/zinc/86/74/74/1429867474.db2.gz ZYLRYJJAICGHDX-UHFFFAOYSA-N -1 0 341.758 2.850 20 30 EFEDRM COc1cccc2c1CC(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2=O ZINC000821786163 1429891982 /nfs/dbraw/zinc/89/19/82/1429891982.db2.gz ATMRLIGNNZPUEL-XYOKQWHBSA-N -1 0 348.362 2.706 20 30 EFEDRM CCc1nc2ccccc2n1N=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736707696 1429914629 /nfs/dbraw/zinc/91/46/29/1429914629.db2.gz YQEALQBPLSLXTJ-UHFFFAOYSA-N -1 0 347.382 2.670 20 30 EFEDRM N#Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822833868 1429919872 /nfs/dbraw/zinc/91/98/72/1429919872.db2.gz YJYVKSORTJYSNV-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n21 ZINC000826305175 1430054637 /nfs/dbraw/zinc/05/46/37/1430054637.db2.gz NGHIBAWDFHSAJI-VURMDHGXSA-N -1 0 348.341 2.858 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)OCC ZINC000823874263 1430131516 /nfs/dbraw/zinc/13/15/16/1430131516.db2.gz UTJDPBHDTUAVEE-ZDUSSCGKSA-N -1 0 346.435 2.733 20 30 EFEDRM C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819729743 1430182735 /nfs/dbraw/zinc/18/27/35/1430182735.db2.gz LVTNNFWHJKBXIL-NSHDSACASA-N -1 0 330.392 2.740 20 30 EFEDRM CCCCS[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736463399 1430205058 /nfs/dbraw/zinc/20/50/58/1430205058.db2.gz PAMHGLSOMANVDZ-SNVBAGLBSA-N -1 0 330.417 2.599 20 30 EFEDRM COc1ccc(C=NNc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737083780 1441466431 /nfs/dbraw/zinc/46/64/31/1441466431.db2.gz VKNSJNBAQZKAQM-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM N#CCC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826380579 1441466927 /nfs/dbraw/zinc/46/69/27/1441466927.db2.gz GAPMJOQBDKBZBT-UHFFFAOYSA-N -1 0 345.794 2.678 20 30 EFEDRM Cc1c(Cl)cnc(NCc2ccc(C#N)cc2F)c1-c1nn[n-]n1 ZINC000826240084 1441493620 /nfs/dbraw/zinc/49/36/20/1441493620.db2.gz AYWHWGNBSXPCFL-UHFFFAOYSA-N -1 0 343.753 2.846 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000825807670 1441503601 /nfs/dbraw/zinc/50/36/01/1441503601.db2.gz UMZREGHKMTWOJN-VURMDHGXSA-N -1 0 340.362 2.735 20 30 EFEDRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820056806 1441536042 /nfs/dbraw/zinc/53/60/42/1441536042.db2.gz SNSUIOCHLURMOJ-LBPRGKRZSA-N -1 0 342.403 2.518 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820380101 1441560008 /nfs/dbraw/zinc/56/00/08/1441560008.db2.gz LFOCKDXKZJHOHF-NSHDSACASA-N -1 0 333.355 2.621 20 30 EFEDRM Cc1c(Cl)cnc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826237063 1441604934 /nfs/dbraw/zinc/60/49/34/1441604934.db2.gz MONVBUNGTLYCPA-UHFFFAOYSA-N -1 0 339.790 2.732 20 30 EFEDRM N#Cc1cccc(OCCCOc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000822837895 1441614385 /nfs/dbraw/zinc/61/43/85/1441614385.db2.gz XPBUEQMTCLNCPD-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM CCOc1ccc(C=Nc2ccc(F)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000736643217 1441649244 /nfs/dbraw/zinc/64/92/44/1441649244.db2.gz DXSNKLSKVJBXNU-UHFFFAOYSA-N -1 0 327.319 2.861 20 30 EFEDRM N#Cc1ccc2c(c1)N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826386190 1441689006 /nfs/dbraw/zinc/68/90/06/1441689006.db2.gz SVARVVRVSASZMQ-UHFFFAOYSA-N -1 0 329.776 2.542 20 30 EFEDRM C[C@@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820322450 1441703021 /nfs/dbraw/zinc/70/30/21/1441703021.db2.gz STIKCSNMJJTCEI-WTNCMQEWSA-N -1 0 344.378 2.629 20 30 EFEDRM COc1ccc(CON=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC000826206690 1441807896 /nfs/dbraw/zinc/80/78/96/1441807896.db2.gz HFUGUCLXNBAXIY-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM N#CCCCOc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737687413 1441901051 /nfs/dbraw/zinc/90/10/51/1441901051.db2.gz ILXMOBVSTZYKGE-UHFFFAOYSA-N -1 0 347.382 2.995 20 30 EFEDRM N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000822829696 1441905403 /nfs/dbraw/zinc/90/54/03/1441905403.db2.gz DYDKAMYRJXPRCG-UHFFFAOYSA-N -1 0 344.378 2.700 20 30 EFEDRM Cc1ccccc1CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737425896 1441920448 /nfs/dbraw/zinc/92/04/48/1441920448.db2.gz GIZDNZFOYQSDKJ-UHFFFAOYSA-N -1 0 332.367 2.618 20 30 EFEDRM Cc1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822091112 1442070831 /nfs/dbraw/zinc/07/08/31/1442070831.db2.gz OFWPBUJQGUBYLA-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2o1 ZINC000822801243 1442236707 /nfs/dbraw/zinc/23/67/07/1442236707.db2.gz GPIXZDOWEOEBGB-QMMMGPOBSA-N -1 0 336.336 2.559 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000826384352 1442327905 /nfs/dbraw/zinc/32/79/05/1442327905.db2.gz RROKHYBNFPKWHC-GORDUTHDSA-N -1 0 325.328 2.835 20 30 EFEDRM C[C@@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824662183 1442335079 /nfs/dbraw/zinc/33/50/79/1442335079.db2.gz FGEBOLMBPHWNCC-LLVKDONJSA-N -1 0 330.355 2.559 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)n2c1 ZINC000822280379 1442338602 /nfs/dbraw/zinc/33/86/02/1442338602.db2.gz LRIPRZYHOKGCAB-SREVYHEPSA-N -1 0 330.351 2.719 20 30 EFEDRM Cc1cc(C)cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000826264570 1442355279 /nfs/dbraw/zinc/35/52/79/1442355279.db2.gz SQDWFNHNJAUCAY-UHFFFAOYSA-N -1 0 346.394 2.927 20 30 EFEDRM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000737704918 1442376540 /nfs/dbraw/zinc/37/65/40/1442376540.db2.gz LLWGUXLCJIPXFK-UHFFFAOYSA-N -1 0 348.341 2.548 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(C#N)s2)o1 ZINC000819965876 1442387636 /nfs/dbraw/zinc/38/76/36/1442387636.db2.gz QMRKENYHMICRGX-UHFFFAOYSA-N -1 0 342.388 2.531 20 30 EFEDRM COc1cccc(C=Nc2ccc(-c3nn[n-]n3)cc2Cl)c1O ZINC000821863485 1442420302 /nfs/dbraw/zinc/42/03/02/1442420302.db2.gz LQHZQSLOGSVLKE-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826365073 1443089460 /nfs/dbraw/zinc/08/94/60/1443089460.db2.gz AGTUFCJCXGJPRA-VURMDHGXSA-N -1 0 330.351 2.650 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cncc2ccccc12 ZINC000819718295 1443143208 /nfs/dbraw/zinc/14/32/08/1443143208.db2.gz DXAYOSDXYCCYHC-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccc(C)cc2)C2CC2)o1 ZINC000737331152 1443205303 /nfs/dbraw/zinc/20/53/03/1443205303.db2.gz UZDOFCJPJZSTKW-UHFFFAOYSA-N -1 0 337.387 2.892 20 30 EFEDRM N#Cc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737717143 1443310118 /nfs/dbraw/zinc/31/01/18/1443310118.db2.gz ZUNGWFDNGBVDCC-VURMDHGXSA-N -1 0 334.314 2.529 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735506208 1443382731 /nfs/dbraw/zinc/38/27/31/1443382731.db2.gz ZTFAOUAJFHWLJB-NSHDSACASA-N -1 0 334.339 2.757 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401485 1443431573 /nfs/dbraw/zinc/43/15/73/1443431573.db2.gz ZYCNIKZYBLNJGI-FPYGCLRLSA-N -1 0 339.286 2.810 20 30 EFEDRM O=[N+]([O-])c1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000823639536 1443456789 /nfs/dbraw/zinc/45/67/89/1443456789.db2.gz COOLEOUPDHULEC-UHFFFAOYSA-N -1 0 349.763 2.936 20 30 EFEDRM CCC[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825224833 1443513101 /nfs/dbraw/zinc/51/31/01/1443513101.db2.gz CVYFKIAURDJZFT-CYBMUJFWSA-N -1 0 346.394 2.956 20 30 EFEDRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000826286850 1443574729 /nfs/dbraw/zinc/57/47/29/1443574729.db2.gz SSGJDJYHEFUDSM-CYBMUJFWSA-N -1 0 346.394 2.864 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000826246123 1443657906 /nfs/dbraw/zinc/65/79/06/1443657906.db2.gz SHQHKSPDJBNUJK-SFHVURJKSA-N -1 0 338.415 2.768 20 30 EFEDRM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)COc2c(F)ccc(F)c21 ZINC000826475725 1443709520 /nfs/dbraw/zinc/70/95/20/1443709520.db2.gz OJUAZKVYDMZNRO-XFFZJAGNSA-N -1 0 340.289 2.804 20 30 EFEDRM N#Cc1ccc(Cl)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822825727 1443736229 /nfs/dbraw/zinc/73/62/29/1443736229.db2.gz MXADUZHOMYHSMM-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824135920 1443752510 /nfs/dbraw/zinc/75/25/10/1443752510.db2.gz KJQCERZMEOEKSH-ALCCZGGFSA-N -1 0 340.362 2.923 20 30 EFEDRM COc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826210516 1443776467 /nfs/dbraw/zinc/77/64/67/1443776467.db2.gz UWXJSUDCBZRWGT-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)(C)C)n1 ZINC000826359843 1443830477 /nfs/dbraw/zinc/83/04/77/1443830477.db2.gz RMBBIHGMZYRUTO-KTKRTIGZSA-N -1 0 336.399 2.794 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820170127 1443849242 /nfs/dbraw/zinc/84/92/42/1443849242.db2.gz RJLWFPGMZFNPAZ-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM N#Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000826385513 1443869004 /nfs/dbraw/zinc/86/90/04/1443869004.db2.gz PROIDDFBIRONNP-UHFFFAOYSA-N -1 0 345.288 2.764 20 30 EFEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1ccc(Cl)cc1 ZINC000822741424 1443929695 /nfs/dbraw/zinc/92/96/95/1443929695.db2.gz WXXJOLKGUUICHN-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)cc(Cl)cc2C)o1 ZINC000826322935 1443946396 /nfs/dbraw/zinc/94/63/96/1443946396.db2.gz HYIHCXOEUAATRR-UHFFFAOYSA-N -1 0 331.767 2.879 20 30 EFEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc2cc(C#N)ccc2n1 ZINC000825977086 1443962731 /nfs/dbraw/zinc/96/27/31/1443962731.db2.gz WDLSQHGFJQBPBM-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM FC(F)COc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737640075 1443981548 /nfs/dbraw/zinc/98/15/48/1443981548.db2.gz ZIBAQVBWCSFQDN-UHFFFAOYSA-N -1 0 344.325 2.957 20 30 EFEDRM CCc1nnc(Sc2cccc(C#N)c2)c(-c2nn[n-]n2)c1CC ZINC000821548604 1443982433 /nfs/dbraw/zinc/98/24/33/1443982433.db2.gz PSLYOQLSLFMDAX-UHFFFAOYSA-N -1 0 337.412 2.804 20 30 EFEDRM COc1cc(C#N)ccc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826176820 1443982534 /nfs/dbraw/zinc/98/25/34/1443982534.db2.gz FUSFRZCIEGZZEL-UHFFFAOYSA-N -1 0 334.748 2.649 20 30 EFEDRM C=C(Cl)CNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735402210 1443992072 /nfs/dbraw/zinc/99/20/72/1443992072.db2.gz MFZISNANRJOFOB-UHFFFAOYSA-N -1 0 334.811 2.541 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735391587 1444036769 /nfs/dbraw/zinc/03/67/69/1444036769.db2.gz UBGNNOIIODXKDG-SEYXRHQNSA-N -1 0 343.390 2.914 20 30 EFEDRM C#CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823837983 1446113027 /nfs/dbraw/zinc/11/30/27/1446113027.db2.gz JZPMEFWSVULHOW-JKGDOXCYSA-N -1 0 343.390 2.761 20 30 EFEDRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736059500 1446135681 /nfs/dbraw/zinc/13/56/81/1446135681.db2.gz TZYWBCGTIWMBKR-GFCCVEGCSA-N -1 0 332.367 2.556 20 30 EFEDRM FC(F)(F)c1cc(NN=Cc2ccncc2)ccc1-c1nn[n-]n1 ZINC000737631070 1446184198 /nfs/dbraw/zinc/18/41/98/1446184198.db2.gz DCDPOJOGGJEPIV-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM C#CC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000735374553 1446318303 /nfs/dbraw/zinc/31/83/03/1446318303.db2.gz DZLKXOZQLDSILR-CPFIRTDXSA-N -1 0 345.362 2.583 20 30 EFEDRM FC(F)Oc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737640092 1446338560 /nfs/dbraw/zinc/33/85/60/1446338560.db2.gz ZYNNZEXBRWCPKB-UHFFFAOYSA-N -1 0 330.298 2.914 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000823899071 1446343816 /nfs/dbraw/zinc/34/38/16/1446343816.db2.gz KEMHOUNGVBASBU-UHFFFAOYSA-N -1 0 341.415 2.519 20 30 EFEDRM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962815 1446404229 /nfs/dbraw/zinc/40/42/29/1446404229.db2.gz PGTDCUAAFMVEFH-UHFFFAOYSA-N -1 0 348.345 2.785 20 30 EFEDRM C#CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000823838740 1446421330 /nfs/dbraw/zinc/42/13/30/1446421330.db2.gz SXJXMUWOOYRPDH-UHFFFAOYSA-N -1 0 339.742 2.884 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826257319 1446432456 /nfs/dbraw/zinc/43/24/56/1446432456.db2.gz XHDAXWCOUOWJPL-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM Cc1ccsc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737441616 1446531192 /nfs/dbraw/zinc/53/11/92/1446531192.db2.gz IAJJDSQHUXHYEC-ARJAWSKDSA-N -1 0 336.380 2.780 20 30 EFEDRM Cc1ccc(F)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000737344627 1446811598 /nfs/dbraw/zinc/81/15/98/1446811598.db2.gz HRCNIDONCRHJMU-UHFFFAOYSA-N -1 0 329.339 2.872 20 30 EFEDRM CCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000825367157 1446976878 /nfs/dbraw/zinc/97/68/78/1446976878.db2.gz KAQRIJGOYMRFJH-FMIVXFBMSA-N -1 0 344.378 2.805 20 30 EFEDRM COc1ccc(C=C2Cc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000821786994 1446977886 /nfs/dbraw/zinc/97/78/86/1446977886.db2.gz NBKXSIURVFCOBP-SDQBBNPISA-N -1 0 336.326 2.837 20 30 EFEDRM C=CCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823887912 1447221874 /nfs/dbraw/zinc/22/18/74/1447221874.db2.gz ASSKRIPMCALUIS-UHFFFAOYSA-N -1 0 343.778 2.611 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(F)ccc32)o1 ZINC000735939222 1447243047 /nfs/dbraw/zinc/24/30/47/1447243047.db2.gz LQXJTZQNVALRRU-UHFFFAOYSA-N -1 0 341.350 2.880 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnccn1 ZINC000735450814 1447262034 /nfs/dbraw/zinc/26/20/34/1447262034.db2.gz DUXNYHKFCNSGOH-UHFFFAOYSA-N -1 0 348.292 2.512 20 30 EFEDRM N#CCC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381621 1447319186 /nfs/dbraw/zinc/31/91/86/1447319186.db2.gz SGXCFUHBKWJOIP-KRWDZBQOSA-N -1 0 346.394 2.570 20 30 EFEDRM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953614 1449053441 /nfs/dbraw/zinc/05/34/41/1449053441.db2.gz IXUMCDLTFVOSLE-UHFFFAOYSA-N -1 0 346.316 2.798 20 30 EFEDRM O=C1C(=Cc2cccc3nccn32)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826475421 1449070107 /nfs/dbraw/zinc/07/01/07/1449070107.db2.gz FVNTXJIOGAWUAZ-QBFSEMIESA-N -1 0 342.362 2.727 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745998 1449093967 /nfs/dbraw/zinc/09/39/67/1449093967.db2.gz XSHNJGYXDXGRAI-UHFFFAOYSA-N -1 0 339.424 2.686 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736489376 1449224345 /nfs/dbraw/zinc/22/43/45/1449224345.db2.gz YZRUGZAEFLROMD-UHFFFAOYSA-N -1 0 347.382 2.813 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc2cnccc12 ZINC000823861747 1449225628 /nfs/dbraw/zinc/22/56/28/1449225628.db2.gz QPESIHLVYZHUJW-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM C=C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819730436 1449345946 /nfs/dbraw/zinc/34/59/46/1449345946.db2.gz ZXZVBGDISXRUIX-ZETCQYMHSA-N -1 0 326.282 2.582 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)n21 ZINC000826305304 1449605611 /nfs/dbraw/zinc/60/56/11/1449605611.db2.gz RFWAMRBBCAKWFZ-VURMDHGXSA-N -1 0 348.341 2.858 20 30 EFEDRM CCOc1ccc(C#N)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821417066 1449760128 /nfs/dbraw/zinc/76/01/28/1449760128.db2.gz IDFYXLCCYRDEOZ-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000823909358 1449763224 /nfs/dbraw/zinc/76/32/24/1449763224.db2.gz AHMMQGPYJZDWMZ-XJKSGUPXSA-N -1 0 325.416 2.818 20 30 EFEDRM FC(F)(F)c1csc(N=NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822728318 1449775385 /nfs/dbraw/zinc/77/53/85/1449775385.db2.gz GQVRIJJDMVDQNQ-UHFFFAOYSA-N -1 0 345.335 2.850 20 30 EFEDRM C=CCNC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000823926046 1449909355 /nfs/dbraw/zinc/90/93/55/1449909355.db2.gz XCCYPRILPZPXKJ-UHFFFAOYSA-N -1 0 342.472 2.672 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc(CC#N)c1 ZINC000826254355 1449939394 /nfs/dbraw/zinc/93/93/94/1449939394.db2.gz HOKMDRMRUKIXHM-UHFFFAOYSA-N -1 0 333.351 2.598 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000826183819 1449953299 /nfs/dbraw/zinc/95/32/99/1449953299.db2.gz BBZCBGVRBZFBQL-UHFFFAOYSA-N -1 0 346.394 2.526 20 30 EFEDRM CCc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825704283 1449965499 /nfs/dbraw/zinc/96/54/99/1449965499.db2.gz FYGXUEOPZAMHFM-UHFFFAOYSA-N -1 0 333.808 2.985 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000819751072 1449998501 /nfs/dbraw/zinc/99/85/01/1449998501.db2.gz OKLGWFLMAVHHOM-HNNXBMFYSA-N -1 0 338.396 2.681 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccnc2ccccc12 ZINC000819719001 1450005072 /nfs/dbraw/zinc/00/50/72/1450005072.db2.gz WOXGSGROUTZHDB-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313757 1450019043 /nfs/dbraw/zinc/01/90/43/1450019043.db2.gz PLIIQEGHVNARQZ-HNNXBMFYSA-N -1 0 332.367 2.871 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826400153 1450329063 /nfs/dbraw/zinc/32/90/63/1450329063.db2.gz QNTUGGWDADDCJE-VMPITWQZSA-N -1 0 328.328 2.726 20 30 EFEDRM COc1ccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737117218 1450358933 /nfs/dbraw/zinc/35/89/33/1450358933.db2.gz YDNVCDCMJOTYNO-UHFFFAOYSA-N -1 0 333.355 2.803 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824324114 1450465231 /nfs/dbraw/zinc/46/52/31/1450465231.db2.gz HBJHVOWMNPRIBS-UHFFFAOYSA-N -1 0 335.371 2.533 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000822823824 1450487812 /nfs/dbraw/zinc/48/78/12/1450487812.db2.gz ZXAGEEBVOTXFRJ-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM C#Cc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000139075057 713002360 /nfs/dbraw/zinc/00/23/60/713002360.db2.gz PHJCCEOGESWMQS-UHFFFAOYSA-N -1 0 335.388 2.830 20 30 EFEDRM CC[C@H](O)CNN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000811652207 713048618 /nfs/dbraw/zinc/04/86/18/713048618.db2.gz DFIICSBCGDQTAR-VIFPVBQESA-N -1 0 335.629 2.893 20 30 EFEDRM COc1ccc(C(=O)N(C)C)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000254960001 713160216 /nfs/dbraw/zinc/16/02/16/713160216.db2.gz SUEBINOYIRVWRN-UHFFFAOYSA-N -1 0 343.339 2.761 20 30 EFEDRM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)C1(c2ccccc2F)CC1 ZINC000077868344 717910801 /nfs/dbraw/zinc/91/08/01/717910801.db2.gz YFKNKDKQPFHFBY-LBPRGKRZSA-N -1 0 341.404 2.713 20 30 EFEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000892483823 717918645 /nfs/dbraw/zinc/91/86/45/717918645.db2.gz BCDKTBFHKUIRFI-HNNXBMFYSA-N -1 0 336.395 2.547 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)CCCOc1cccc(Br)c1 ZINC000048479167 713789200 /nfs/dbraw/zinc/78/92/00/713789200.db2.gz ZEHIFQKOLIHDFC-UHFFFAOYSA-N -1 0 336.207 2.524 20 30 EFEDRM CCOC(=O)NCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121060275 713796640 /nfs/dbraw/zinc/79/66/40/713796640.db2.gz DNIWENLWXQFOKN-ZDUSSCGKSA-N -1 0 341.367 2.504 20 30 EFEDRM N#Cc1cccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000255180823 714091267 /nfs/dbraw/zinc/09/12/67/714091267.db2.gz LUIFMHWKBKYRJZ-XQRVVYSFSA-N -1 0 348.402 2.992 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000255191181 714116391 /nfs/dbraw/zinc/11/63/91/714116391.db2.gz WMFVXUXHYNRTAU-YHYXMXQVSA-N -1 0 346.795 2.730 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccccc1-n1cccn1 ZINC000048448689 714117357 /nfs/dbraw/zinc/11/73/57/714117357.db2.gz XZYORWDXVLWMSN-UHFFFAOYSA-N -1 0 333.394 2.627 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160489678 714194991 /nfs/dbraw/zinc/19/49/91/714194991.db2.gz XJOXRSCZEHQKHV-LLVKDONJSA-N -1 0 345.486 2.832 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)c1 ZINC000060783320 714404414 /nfs/dbraw/zinc/40/44/14/714404414.db2.gz NHXXFKPDZJJQAG-UHFFFAOYSA-N -1 0 349.408 2.600 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(F)c1 ZINC000160902846 714626158 /nfs/dbraw/zinc/62/61/58/714626158.db2.gz LHDWLIAQFOKKHL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM C[C@H]1Oc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2NC1=O ZINC000255397229 715014728 /nfs/dbraw/zinc/01/47/28/715014728.db2.gz CUMOFNBBFWSPHU-SECBINFHSA-N -1 0 327.296 2.770 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1cn(CCOC)c2ccccc12 ZINC000066003096 718022945 /nfs/dbraw/zinc/02/29/45/718022945.db2.gz URODEZWDPIOOJG-UHFFFAOYSA-N -1 0 338.429 2.722 20 30 EFEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000066002901 718023038 /nfs/dbraw/zinc/02/30/38/718023038.db2.gz KVNAENQOCUXZTL-UHFFFAOYSA-N -1 0 334.397 2.758 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cs1 ZINC000066003388 718023532 /nfs/dbraw/zinc/02/35/32/718023532.db2.gz HRFSMPKDVWPCCE-UHFFFAOYSA-N -1 0 342.417 2.874 20 30 EFEDRM O=C(CCc1nccs1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000066004173 718023803 /nfs/dbraw/zinc/02/38/03/718023803.db2.gz DLFNRBFYJNRWIE-UHFFFAOYSA-N -1 0 332.353 2.699 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccc3c(c2)OCCO3)c1 ZINC000022728099 715084954 /nfs/dbraw/zinc/08/49/54/715084954.db2.gz FHQKZLMKSQYGBO-WOJGMQOQSA-N -1 0 328.324 2.733 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000178473457 715204699 /nfs/dbraw/zinc/20/46/99/715204699.db2.gz LOBZPEAUDJSNPV-LLVKDONJSA-N -1 0 327.340 2.979 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1Br ZINC000178475540 715205998 /nfs/dbraw/zinc/20/59/98/715205998.db2.gz CZRWZAFXWJVPAH-NSHDSACASA-N -1 0 346.184 2.696 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000119584952 715236779 /nfs/dbraw/zinc/23/67/79/715236779.db2.gz VVUKDCSXCHTTLY-MRXNPFEDSA-N -1 0 337.335 2.542 20 30 EFEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000893431028 715338064 /nfs/dbraw/zinc/33/80/64/715338064.db2.gz KHWDTJBPOAZECM-UHFFFAOYSA-N -1 0 344.820 2.628 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000119926325 715338255 /nfs/dbraw/zinc/33/82/55/715338255.db2.gz OYAKJNLXQOOWPF-KRWDZBQOSA-N -1 0 344.374 2.608 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000313481084 715428946 /nfs/dbraw/zinc/42/89/46/715428946.db2.gz JVCKHDZMLPVDIS-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000124803289 715476626 /nfs/dbraw/zinc/47/66/26/715476626.db2.gz XEMGSEHFEUNZRD-GFCCVEGCSA-N -1 0 342.786 2.675 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)cc(Br)c1 ZINC000124808335 715476635 /nfs/dbraw/zinc/47/66/35/715476635.db2.gz SOMCSRBAIHWEGD-GFCCVEGCSA-N -1 0 339.164 2.533 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000124900078 715540305 /nfs/dbraw/zinc/54/03/05/715540305.db2.gz VJPKLJFVZYSOEW-AWEZNQCLSA-N -1 0 339.420 2.679 20 30 EFEDRM COC1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000255519875 715706535 /nfs/dbraw/zinc/70/65/35/715706535.db2.gz NHOYFQAMCQHOEF-PXNMLYILSA-N -1 0 328.752 2.568 20 30 EFEDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000102120777 715794670 /nfs/dbraw/zinc/79/46/70/715794670.db2.gz GXILPHBWKDEVGS-TZMCWYRMSA-N -1 0 341.415 2.558 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(OC)c2)s1 ZINC000051901648 715803365 /nfs/dbraw/zinc/80/33/65/715803365.db2.gz YCSQZNOHSWWWLE-UHFFFAOYSA-N -1 0 340.426 2.716 20 30 EFEDRM C=C[C@H](C)NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000155880837 716111347 /nfs/dbraw/zinc/11/13/47/716111347.db2.gz QEPCZMGOAXMOTD-ZDUSSCGKSA-N -1 0 345.468 2.936 20 30 EFEDRM CCC(CC)CNN=C1C(=O)Nc2cc([O-])c(Br)cc21 ZINC000841632521 716183715 /nfs/dbraw/zinc/18/37/15/716183715.db2.gz DCWCCQONLHPUPV-UHFFFAOYSA-N -1 0 340.221 2.837 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000157966538 716398672 /nfs/dbraw/zinc/39/86/72/716398672.db2.gz VRFOXWAXWRZLQR-UHFFFAOYSA-N -1 0 347.367 2.573 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000065642853 716432618 /nfs/dbraw/zinc/43/26/18/716432618.db2.gz MZTGNYWERNTHCR-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052771766 716584759 /nfs/dbraw/zinc/58/47/59/716584759.db2.gz VMEDAXVSXVJLON-NXEZZACHSA-N -1 0 328.356 2.652 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1 ZINC000125573623 716586758 /nfs/dbraw/zinc/58/67/58/716586758.db2.gz PTPNBWUAGLFTGZ-INIZCTEOSA-N -1 0 332.400 2.723 20 30 EFEDRM CCCOc1cccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000052794432 716609961 /nfs/dbraw/zinc/60/99/61/716609961.db2.gz YPGQZDJOBWJSNA-UHFFFAOYSA-N -1 0 326.418 2.511 20 30 EFEDRM Cc1ccc(SCCC(=O)[N-]S(=O)(=O)N2CCCC2)cc1 ZINC000052793115 716613482 /nfs/dbraw/zinc/61/34/82/716613482.db2.gz IZVUYDWPVMXLAZ-UHFFFAOYSA-N -1 0 328.459 2.774 20 30 EFEDRM COc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])cc1OC ZINC000176821881 716700999 /nfs/dbraw/zinc/70/09/99/716700999.db2.gz ITBFEKKKDODLNB-UHFFFAOYSA-N -1 0 326.352 2.852 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(C)=O)c1 ZINC000125713088 716850964 /nfs/dbraw/zinc/85/09/64/716850964.db2.gz MDAFKRDPSSTVCV-INIZCTEOSA-N -1 0 343.427 2.972 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000125733860 716954685 /nfs/dbraw/zinc/95/46/85/716954685.db2.gz SJQOVTKGMHSFTO-INIZCTEOSA-N -1 0 338.411 2.891 20 30 EFEDRM O=C1c2ccccc2S(=O)(=O)C/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000255739294 717464364 /nfs/dbraw/zinc/46/43/64/717464364.db2.gz BUWTXFYSZWYIGW-BJMVGYQFSA-N -1 0 336.315 2.724 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000310373943 717670366 /nfs/dbraw/zinc/67/03/66/717670366.db2.gz YJZPFIVFDDMLHC-UHFFFAOYSA-N -1 0 325.364 2.978 20 30 EFEDRM O=C(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])NC1CCCCC1 ZINC000255841152 717829533 /nfs/dbraw/zinc/82/95/33/717829533.db2.gz CPKDCSICXYGENZ-IUXPMGMMSA-N -1 0 339.779 2.822 20 30 EFEDRM Cc1cc(F)ccc1-n1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1 ZINC000179763261 717874972 /nfs/dbraw/zinc/87/49/72/717874972.db2.gz SJNABGRHIVTBGZ-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000066587669 718261743 /nfs/dbraw/zinc/26/17/43/718261743.db2.gz JWRPHRVIYNYLCV-UHFFFAOYSA-N -1 0 341.820 2.829 20 30 EFEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127404532 724509193 /nfs/dbraw/zinc/50/91/93/724509193.db2.gz GARVKPQTKWZDJS-MRXNPFEDSA-N -1 0 341.411 2.806 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1Br ZINC000066741688 718989163 /nfs/dbraw/zinc/98/91/63/718989163.db2.gz OVTIDABVQNCTKC-UHFFFAOYSA-N -1 0 334.191 2.513 20 30 EFEDRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178550877 719149735 /nfs/dbraw/zinc/14/97/35/719149735.db2.gz HNUQZCNXHSSVTE-KGLIPLIRSA-N -1 0 346.433 2.537 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)cc1 ZINC000122565230 719337084 /nfs/dbraw/zinc/33/70/84/719337084.db2.gz JGLMAZDEJXGQIK-INIZCTEOSA-N -1 0 337.379 2.947 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000893043793 719524707 /nfs/dbraw/zinc/52/47/07/719524707.db2.gz MPMFODFIAWWRLM-UHFFFAOYSA-N -1 0 345.848 2.894 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000893049440 719530950 /nfs/dbraw/zinc/53/09/50/719530950.db2.gz QUTIMYVPPRLAHY-UHFFFAOYSA-N -1 0 342.804 2.888 20 30 EFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000893051322 719539516 /nfs/dbraw/zinc/53/95/16/719539516.db2.gz BCVTXSSCMNPSRF-UHFFFAOYSA-N -1 0 342.804 2.888 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc(Cl)cc1 ZINC000122668274 719632761 /nfs/dbraw/zinc/63/27/61/719632761.db2.gz NWVKVOIZJYQEFU-AWEZNQCLSA-N -1 0 329.787 2.988 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122665060 719634071 /nfs/dbraw/zinc/63/40/71/719634071.db2.gz JUQMLBVROAFEFL-HNNXBMFYSA-N -1 0 342.395 2.915 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(CC)n1 ZINC000123629856 720848911 /nfs/dbraw/zinc/84/89/11/720848911.db2.gz UCULGEGUXKLYSH-LLVKDONJSA-N -1 0 327.340 2.597 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123834807 720865157 /nfs/dbraw/zinc/86/51/57/720865157.db2.gz IUCLMUXIVZNAKJ-HNNXBMFYSA-N -1 0 337.766 2.851 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000931318402 721071164 /nfs/dbraw/zinc/07/11/64/721071164.db2.gz SIUFXHUETJIPJI-KBPBESRZSA-N -1 0 342.436 2.810 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C)c(C)c2c1 ZINC000124226402 721426308 /nfs/dbraw/zinc/42/63/08/721426308.db2.gz MLFLYMNZUBJKBR-MRXNPFEDSA-N -1 0 341.411 2.650 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(SC)ccc1C ZINC000124288814 721461733 /nfs/dbraw/zinc/46/17/33/721461733.db2.gz YPBCRAQNPKNEDM-OAHLLOKOSA-N -1 0 334.441 2.582 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC000928232496 722058626 /nfs/dbraw/zinc/05/86/26/722058626.db2.gz HSOYKCBGGQSXFQ-MRVPVSSYSA-N -1 0 327.153 2.670 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCOC(C)C ZINC000917506787 728751498 /nfs/dbraw/zinc/75/14/98/728751498.db2.gz HQFONILHXQVQHH-ZDUSSCGKSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1c[nH]cc1C ZINC000917507112 728751320 /nfs/dbraw/zinc/75/13/20/728751320.db2.gz OLBOJFGOTVZOQM-GFCCVEGCSA-N -1 0 341.367 2.650 20 30 EFEDRM COc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000917557570 728759837 /nfs/dbraw/zinc/75/98/37/728759837.db2.gz AXVHIUDLPPUNPR-CXUHLZMHSA-N -1 0 331.284 2.836 20 30 EFEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000069286312 728759906 /nfs/dbraw/zinc/75/99/06/728759906.db2.gz KSLZUDOUPBUQLI-GFCCVEGCSA-N -1 0 328.409 2.692 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000191246381 723221649 /nfs/dbraw/zinc/22/16/49/723221649.db2.gz KTWUSQHYAGGRCO-UHFFFAOYSA-N -1 0 332.381 2.532 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000191362556 723226877 /nfs/dbraw/zinc/22/68/77/723226877.db2.gz RTVVHNBSHFBLAX-UHFFFAOYSA-N -1 0 333.331 2.622 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H](CCCC)C(=O)[O-])cc(OC)c1OC ZINC000262265830 723264859 /nfs/dbraw/zinc/26/48/59/723264859.db2.gz HFSZHLMMBGMZSR-AWEZNQCLSA-N -1 0 335.400 2.806 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000320084923 723376848 /nfs/dbraw/zinc/37/68/48/723376848.db2.gz LBNSVCXGYFFONV-UHFFFAOYSA-N -1 0 333.356 2.544 20 30 EFEDRM CN(C)c1cc(Cl)cc(Cl)c1CN[C@H]1CCCN(O)C1=O ZINC000895158633 723486085 /nfs/dbraw/zinc/48/60/85/723486085.db2.gz LHWXHCNFAFJFQB-LBPRGKRZSA-N -1 0 332.231 2.529 20 30 EFEDRM Cc1c(NN=Cc2ccccc2OCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000727972635 723544440 /nfs/dbraw/zinc/54/44/40/723544440.db2.gz ADEDHNRFLMNLMV-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM COC(=O)[C@H](CC1CC1)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840709310 723878066 /nfs/dbraw/zinc/87/80/66/723878066.db2.gz BZXMRKOLRJOUFV-JRUYLCMPSA-N -1 0 326.736 2.714 20 30 EFEDRM C=C[C@@](C)(CC)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000909568256 723879357 /nfs/dbraw/zinc/87/93/57/723879357.db2.gz UVXKJYWVDCOBRQ-SFHVURJKSA-N -1 0 327.384 2.789 20 30 EFEDRM C#CCOC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000728343395 723926911 /nfs/dbraw/zinc/92/69/11/723926911.db2.gz LSRMCFKCMAWFQK-UHFFFAOYSA-N -1 0 349.795 2.931 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)COc2ccccc2)cc1C#N ZINC000918348038 728869075 /nfs/dbraw/zinc/86/90/75/728869075.db2.gz SYJIIRWDAAACLD-NSHDSACASA-N -1 0 343.408 2.578 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918485712 728882151 /nfs/dbraw/zinc/88/21/51/728882151.db2.gz WCLDPKQGXBHORF-OAHLLOKOSA-N -1 0 325.368 2.970 20 30 EFEDRM C=C[C@H](CC)CC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000909524873 724220950 /nfs/dbraw/zinc/22/09/50/724220950.db2.gz KRDSECHZYJKTFD-LLVKDONJSA-N -1 0 332.352 2.599 20 30 EFEDRM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000069525466 728942189 /nfs/dbraw/zinc/94/21/89/728942189.db2.gz KDYBFRMVVOSSKW-UHFFFAOYSA-N -1 0 327.308 2.667 20 30 EFEDRM COc1ccc2oc(C(C)=NNc3nnc(C)c(=O)[n-]3)c(C)c2c1 ZINC000729141218 725458828 /nfs/dbraw/zinc/45/88/28/725458828.db2.gz XUNWWMQBRFEPOE-UHFFFAOYSA-N -1 0 327.344 2.785 20 30 EFEDRM C=CC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000909671866 725820884 /nfs/dbraw/zinc/82/08/84/725820884.db2.gz WPBLAEZKVMFLCX-UHFFFAOYSA-N -1 0 326.190 2.976 20 30 EFEDRM C[C@H](CN(C)c1c(C#N)cnc2ccc(OC(F)F)cc21)C(=O)[O-] ZINC000263550349 725901811 /nfs/dbraw/zinc/90/18/11/725901811.db2.gz KHOLAOPTJPKQQJ-SECBINFHSA-N -1 0 335.310 2.865 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000730404487 726123660 /nfs/dbraw/zinc/12/36/60/726123660.db2.gz ZNOSEIFXEWXQKG-UHFFFAOYSA-N -1 0 348.811 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1C(F)(F)F ZINC000152785781 726255521 /nfs/dbraw/zinc/25/55/21/726255521.db2.gz AWKVPGODQJNCJK-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491894 726355612 /nfs/dbraw/zinc/35/56/12/726355612.db2.gz FDHPPMZVWQIUHJ-ARJAWSKDSA-N -1 0 340.288 2.686 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C1 ZINC000907037538 726851797 /nfs/dbraw/zinc/85/17/97/726851797.db2.gz CEENBCIGFNUDMH-LLVKDONJSA-N -1 0 327.377 2.501 20 30 EFEDRM O=C(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])NCc1ccccc1 ZINC000915114228 726873045 /nfs/dbraw/zinc/87/30/45/726873045.db2.gz HTTVNEKVWSAVCH-NVMNQCDNSA-N -1 0 347.758 2.689 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000907541140 726960791 /nfs/dbraw/zinc/96/07/91/726960791.db2.gz GGDPLVJOIHNVIN-TZMCWYRMSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(CCC(F)(F)F)s1)C(=O)[O-] ZINC000907742793 726999848 /nfs/dbraw/zinc/99/98/48/726999848.db2.gz CVHBHIKGIIOAGE-MRVPVSSYSA-N -1 0 336.335 2.787 20 30 EFEDRM N#Cc1nc(NC(=O)c2csc(-c3ccc(F)cc3)n2)[n-]c1C#N ZINC000732268117 727012384 /nfs/dbraw/zinc/01/23/84/727012384.db2.gz BVWPUXBWRHOHIZ-UHFFFAOYSA-N -1 0 338.327 2.668 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000907802898 727014075 /nfs/dbraw/zinc/01/40/75/727014075.db2.gz VGDKPTJQWJXGEX-CYBMUJFWSA-N -1 0 332.400 2.762 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)[O-] ZINC000907781082 727016081 /nfs/dbraw/zinc/01/60/81/727016081.db2.gz NVEZDZAFNTUGGZ-AWEZNQCLSA-N -1 0 345.374 2.766 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncoc2C(C)C)n1 ZINC000732387007 727068880 /nfs/dbraw/zinc/06/88/80/727068880.db2.gz WQAAOXYPHQDOPA-SNVBAGLBSA-N -1 0 333.369 2.596 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2C(C)C)n1 ZINC000732499204 727127444 /nfs/dbraw/zinc/12/74/44/727127444.db2.gz MDLCWKMWZLTLGJ-VIFPVBQESA-N -1 0 333.369 2.921 20 30 EFEDRM Cc1ccc(F)c2c1C(=N[N-]c1oc(CC(C)C)nc1C#N)C(=O)N2 ZINC000732713166 727195081 /nfs/dbraw/zinc/19/50/81/727195081.db2.gz YPNZNHBEFVNLNF-UHFFFAOYSA-N -1 0 341.346 2.961 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@]2(CCC)C(=O)[O-])cc1 ZINC000908623097 727227006 /nfs/dbraw/zinc/22/70/06/727227006.db2.gz ZRIILCXYOLDZMU-GOSISDBHSA-N -1 0 330.384 2.950 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)[O-] ZINC000908623619 727227332 /nfs/dbraw/zinc/22/73/32/727227332.db2.gz WYMWEYZYOKGCMN-ZDUSSCGKSA-N -1 0 335.791 2.538 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCC[C@]2(CCC)C(=O)[O-])c1 ZINC000908621559 727232726 /nfs/dbraw/zinc/23/27/26/727232726.db2.gz MCDBTWZDHGGSMW-GOSISDBHSA-N -1 0 330.384 2.950 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000908642715 727233112 /nfs/dbraw/zinc/23/31/12/727233112.db2.gz SFJSNLCFLYDATF-ZDUSSCGKSA-N -1 0 345.424 2.521 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000908652667 727235948 /nfs/dbraw/zinc/23/59/48/727235948.db2.gz RCMKKISCANPIEZ-HNNXBMFYSA-N -1 0 339.395 2.718 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@H](C)CCC ZINC000732904355 727269928 /nfs/dbraw/zinc/26/99/28/727269928.db2.gz QDBLDUWJRFVQGR-CYBMUJFWSA-N -1 0 325.430 2.747 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909004950 727306398 /nfs/dbraw/zinc/30/63/98/727306398.db2.gz JFXZOGCAECOZMO-XJKSGUPXSA-N -1 0 331.412 2.654 20 30 EFEDRM C=CCC1(CNC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])CCCC1 ZINC000909024641 727311959 /nfs/dbraw/zinc/31/19/59/727311959.db2.gz HWHVRWWDPQGACW-AWEZNQCLSA-N -1 0 326.437 2.643 20 30 EFEDRM C=CCCOCCNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000909117245 727325281 /nfs/dbraw/zinc/32/52/81/727325281.db2.gz LXSNAIFKXJIEHN-KRWDZBQOSA-N -1 0 342.395 2.857 20 30 EFEDRM C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909122618 727326174 /nfs/dbraw/zinc/32/61/74/727326174.db2.gz CMAABFQSQZGOHU-GFCCVEGCSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000909122878 727326194 /nfs/dbraw/zinc/32/61/94/727326194.db2.gz JTNGUACVMBJSKW-GFCCVEGCSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000909182935 727338864 /nfs/dbraw/zinc/33/88/64/727338864.db2.gz PDEZEMDIJHIVFX-ULQDDVLXSA-N -1 0 346.427 2.525 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000909182940 727338896 /nfs/dbraw/zinc/33/88/96/727338896.db2.gz PDEZEMDIJHIVFX-ZACQAIPSSA-N -1 0 346.427 2.525 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])OCC ZINC000909243325 727346573 /nfs/dbraw/zinc/34/65/73/727346573.db2.gz YOYMAUBIOJAUMH-DLBZAZTESA-N -1 0 333.428 2.726 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909223490 727348401 /nfs/dbraw/zinc/34/84/01/727348401.db2.gz UXZDKWRSYYCWDP-HOCLYGCPSA-N -1 0 335.425 2.924 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000909713565 727366259 /nfs/dbraw/zinc/36/62/59/727366259.db2.gz FWIBNJOWMNBIKX-MRXNPFEDSA-N -1 0 349.402 2.701 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1c[nH]c2cccc(OCC)c12)C(=O)[O-] ZINC000909714702 727366627 /nfs/dbraw/zinc/36/66/27/727366627.db2.gz ZRBAQFHZQMMJAS-CQSZACIVSA-N -1 0 330.384 2.645 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000909717199 727368003 /nfs/dbraw/zinc/36/80/03/727368003.db2.gz DGZVFTXMRXYQRO-NSHDSACASA-N -1 0 327.764 2.594 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(CC)c1-c1ccccc1)C(=O)[O-] ZINC000909716524 727368087 /nfs/dbraw/zinc/36/80/87/727368087.db2.gz SMCNFJUXESZWSN-OAHLLOKOSA-N -1 0 327.384 2.719 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000909716699 727368109 /nfs/dbraw/zinc/36/81/09/727368109.db2.gz BPUHCEBXTQLIAK-IRXDYDNUSA-N -1 0 348.418 2.716 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OCCOC)cc1Cl)C(=O)[O-] ZINC000909717102 727368152 /nfs/dbraw/zinc/36/81/52/727368152.db2.gz WTIAZSRKXMCEHC-AWEZNQCLSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC000909767787 727373237 /nfs/dbraw/zinc/37/32/37/727373237.db2.gz QLEZJZJIPDKZDN-HNNXBMFYSA-N -1 0 331.368 2.942 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(C)ccc2cc(C)ccc21)C(=O)[O-] ZINC000909771886 727373701 /nfs/dbraw/zinc/37/37/01/727373701.db2.gz SSSRBZONLIEWSQ-MRXNPFEDSA-N -1 0 327.380 2.842 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000909798296 727375681 /nfs/dbraw/zinc/37/56/81/727375681.db2.gz UBTFLCBBHJZKCG-ACJLOTCBSA-N -1 0 335.400 2.556 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000909798297 727375701 /nfs/dbraw/zinc/37/57/01/727375701.db2.gz UBTFLCBBHJZKCG-FZKQIMNGSA-N -1 0 335.400 2.556 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909816504 727383212 /nfs/dbraw/zinc/38/32/12/727383212.db2.gz BBXWQWULNSGZGX-IDHHARJASA-N -1 0 333.428 2.663 20 30 EFEDRM C=CCC1(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCOCC1 ZINC000909959704 727399154 /nfs/dbraw/zinc/39/91/54/727399154.db2.gz ODMYRSUFDHQXDA-UHFFFAOYSA-N -1 0 342.395 2.650 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054532 727406131 /nfs/dbraw/zinc/40/61/31/727406131.db2.gz PNZYFVPYCVLYBI-WTNCMQEWSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000910054578 727406135 /nfs/dbraw/zinc/40/61/35/727406135.db2.gz QLTTZVDJVLPINK-CYBMUJFWSA-N -1 0 335.450 2.762 20 30 EFEDRM C#CC[C@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000910053872 727406142 /nfs/dbraw/zinc/40/61/42/727406142.db2.gz KYGRCADWJRUSEL-AWEZNQCLSA-N -1 0 332.787 2.668 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910054422 727406182 /nfs/dbraw/zinc/40/61/82/727406182.db2.gz NQSPZFOUXFJKNN-STQMWFEESA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054530 727406187 /nfs/dbraw/zinc/40/61/87/727406187.db2.gz PNZYFVPYCVLYBI-ASCRHOAZSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910055146 727406195 /nfs/dbraw/zinc/40/61/95/727406195.db2.gz YITWVKLHMGMOKB-KRWDZBQOSA-N -1 0 329.396 2.533 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000910045485 727407799 /nfs/dbraw/zinc/40/77/99/727407799.db2.gz FBPMXEBFXCNAKG-SJCJKPOMSA-N -1 0 325.364 2.545 20 30 EFEDRM C#CC[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)C(=O)[O-] ZINC000910046637 727408005 /nfs/dbraw/zinc/40/80/05/727408005.db2.gz SZSZSPLNZZIJRD-ZDUSSCGKSA-N -1 0 339.313 2.720 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000910046532 727408028 /nfs/dbraw/zinc/40/80/28/727408028.db2.gz RQJYMMODBZBDJG-OLZOCXBDSA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000910048517 727408100 /nfs/dbraw/zinc/40/81/00/727408100.db2.gz LQCZYIRTNMEPFU-SNVBAGLBSA-N -1 0 348.449 2.742 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000910048516 727408128 /nfs/dbraw/zinc/40/81/28/727408128.db2.gz LQCZYIRTNMEPFU-JTQLQIEISA-N -1 0 348.449 2.742 20 30 EFEDRM C#CC[C@H](NC(=O)C1(Cc2cccc(OC)c2)CCCCC1)C(=O)[O-] ZINC000910049296 727408262 /nfs/dbraw/zinc/40/82/62/727408262.db2.gz VEYSCMAYKVREGY-KRWDZBQOSA-N -1 0 343.423 2.781 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104725 727412653 /nfs/dbraw/zinc/41/26/53/727412653.db2.gz WXZHEKIDBJMKNW-BEFAXECRSA-N -1 0 331.412 2.656 20 30 EFEDRM C=CCOCCCC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104859 727412788 /nfs/dbraw/zinc/41/27/88/727412788.db2.gz YVJLMDCQZUVXNZ-LJQANCHMSA-N -1 0 331.412 2.658 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910251328 727424037 /nfs/dbraw/zinc/42/40/37/727424037.db2.gz IXHQOCQKBOFMPF-KZULUSFZSA-N -1 0 342.395 2.506 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000910291587 727430706 /nfs/dbraw/zinc/43/07/06/727430706.db2.gz JYCHRKLLJGDRMU-LBPRGKRZSA-N -1 0 331.290 2.777 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC000910293535 727430921 /nfs/dbraw/zinc/43/09/21/727430921.db2.gz JTGIEEJJDXFZMC-SNVBAGLBSA-N -1 0 341.289 2.502 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-])c1ccccc1 ZINC000910465956 727443909 /nfs/dbraw/zinc/44/39/09/727443909.db2.gz LTPDXWGIRHIEAC-NVXWUHKLSA-N -1 0 331.412 2.732 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910578431 727451476 /nfs/dbraw/zinc/45/14/76/727451476.db2.gz GPZMJDBDCPQRSV-HNNXBMFYSA-N -1 0 331.368 2.528 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])OCC ZINC000910579202 727451590 /nfs/dbraw/zinc/45/15/90/727451590.db2.gz IPUPGRAAROOGHZ-RDJZCZTQSA-N -1 0 345.395 2.916 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)OCC ZINC000910686805 727458890 /nfs/dbraw/zinc/45/88/90/727458890.db2.gz ZVCNQAKXJXMDIM-CMPLNLGQSA-N -1 0 338.429 2.642 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)C(=O)[O-] ZINC000910913274 727471587 /nfs/dbraw/zinc/47/15/87/727471587.db2.gz UPKJQVLQXMKSAO-OAHLLOKOSA-N -1 0 344.415 2.860 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(=O)[O-] ZINC000910914162 727471629 /nfs/dbraw/zinc/47/16/29/727471629.db2.gz IOOFIJHNNCIFIA-INIZCTEOSA-N -1 0 330.384 2.645 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(N2CCC(C)=N2)cc1)C(=O)[O-] ZINC000910914171 727471692 /nfs/dbraw/zinc/47/16/92/727471692.db2.gz CRXJYVCHUJBAKG-MRXNPFEDSA-N -1 0 329.400 2.812 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000910915014 727471761 /nfs/dbraw/zinc/47/17/61/727471761.db2.gz RYVWGCIQLJBCFV-SNVBAGLBSA-N -1 0 327.812 2.736 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCCn1cnc2ccccc21)C(=O)[O-] ZINC000910914530 727471784 /nfs/dbraw/zinc/47/17/84/727471784.db2.gz IGEXWFHWZRHBAJ-HNNXBMFYSA-N -1 0 329.400 2.742 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)C(=O)[O-] ZINC000910915444 727471874 /nfs/dbraw/zinc/47/18/74/727471874.db2.gz ZQZCVHCENPBVCR-LLVKDONJSA-N -1 0 343.326 2.836 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000910916463 727471963 /nfs/dbraw/zinc/47/19/63/727471963.db2.gz VYQJLRINXXNAHD-NSHDSACASA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000910919616 727472138 /nfs/dbraw/zinc/47/21/38/727472138.db2.gz YXEKOKPMTJWUIO-DLBZAZTESA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CCc2sccc2C1=O)C(=O)[O-] ZINC000910923853 727472231 /nfs/dbraw/zinc/47/22/31/727472231.db2.gz WGVHFXSIENOCBB-AAEUAGOBSA-N -1 0 335.425 2.809 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cn(C)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000910924001 727472259 /nfs/dbraw/zinc/47/22/59/727472259.db2.gz XGWSPDJMPJMSBQ-ZDUSSCGKSA-N -1 0 331.372 2.528 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)N(CC)CC)cc1)C(=O)[O-] ZINC000910924856 727472356 /nfs/dbraw/zinc/47/23/56/727472356.db2.gz FLZFCUAWYIKPQS-MRXNPFEDSA-N -1 0 346.427 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c([nH]1)c(F)ccc2OC)C(=O)[O-] ZINC000910926406 727472482 /nfs/dbraw/zinc/47/24/82/727472482.db2.gz SKIGDEHMZNDJCI-GFCCVEGCSA-N -1 0 334.347 2.855 20 30 EFEDRM C=C[C@@](C)(O)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910956808 727472980 /nfs/dbraw/zinc/47/29/80/727472980.db2.gz FMOUEHSNOJANIH-LJQANCHMSA-N -1 0 342.395 2.509 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911068095 727493933 /nfs/dbraw/zinc/49/39/33/727493933.db2.gz WXZHCHYFSIJCQE-ZWNOBZJWSA-N -1 0 345.317 2.929 20 30 EFEDRM C=CC(C)(C)CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000911151615 727502157 /nfs/dbraw/zinc/50/21/57/727502157.db2.gz XOFXKEROYCJVNL-UHFFFAOYSA-N -1 0 332.400 2.762 20 30 EFEDRM C=C1CCC(C(=O)N2CCCN(c3ccc(C(=O)[O-])cn3)CC2)CC1 ZINC000911308328 727524725 /nfs/dbraw/zinc/52/47/25/727524725.db2.gz MQINNZMQQKXURS-UHFFFAOYSA-N -1 0 343.427 2.565 20 30 EFEDRM C#CCC1(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])CCCCC1 ZINC000911348199 727531883 /nfs/dbraw/zinc/53/18/83/727531883.db2.gz BHLBGNJRUPZLJT-INIZCTEOSA-N -1 0 343.423 2.726 20 30 EFEDRM C#CCC1(C(=O)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)CCCCC1 ZINC000911746771 727592458 /nfs/dbraw/zinc/59/24/58/727592458.db2.gz BKYMFQUGOOVJCJ-UHFFFAOYSA-N -1 0 339.395 2.851 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N ZINC000733062218 727637495 /nfs/dbraw/zinc/63/74/95/727637495.db2.gz VEXPYARNDMAUTN-UHFFFAOYSA-N -1 0 347.440 2.661 20 30 EFEDRM CC(N=Nc1nncc2ccccc21)c1cccc(OCC(=O)[O-])c1 ZINC000915909460 727638389 /nfs/dbraw/zinc/63/83/89/727638389.db2.gz IVUGEPKIDDPNPV-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000915927933 727640967 /nfs/dbraw/zinc/64/09/67/727640967.db2.gz HFUDYSLCEKFELX-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNC(=S)Nc1ccccc1F)O2 ZINC000915937500 727643072 /nfs/dbraw/zinc/64/30/72/727643072.db2.gz QVLNZTLOIYPTHA-UHFFFAOYSA-N -1 0 345.355 2.715 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCOc2ccc3c(c2)OCO3)c1 ZINC000915981398 727645029 /nfs/dbraw/zinc/64/50/29/727645029.db2.gz AVWNIJMJZWQGGF-MFOYZWKCSA-N -1 0 330.296 2.527 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC000915991702 727646275 /nfs/dbraw/zinc/64/62/75/727646275.db2.gz IYIRGGLHIJOFAZ-ALCCZGGFSA-N -1 0 337.331 2.926 20 30 EFEDRM N#CCOc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000916151798 727663395 /nfs/dbraw/zinc/66/33/95/727663395.db2.gz CWKIXDZULLNWRM-KMKOMSMNSA-N -1 0 337.331 2.948 20 30 EFEDRM CC(=NNC(=S)NC1CC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000916283293 727671376 /nfs/dbraw/zinc/67/13/76/727671376.db2.gz UJJBVXTUPGKKMR-UHFFFAOYSA-N -1 0 343.408 2.995 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000916276175 727672809 /nfs/dbraw/zinc/67/28/09/727672809.db2.gz ODQMUAWDVYWBBI-GWCFXTLKSA-N -1 0 336.417 2.677 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000916276067 727672851 /nfs/dbraw/zinc/67/28/51/727672851.db2.gz ITSNWTHCQYEMFM-CMPLNLGQSA-N -1 0 336.417 2.677 20 30 EFEDRM CCCOc1c(C=NNc2nnc(C)c(=O)[n-]2)cccc1OCC ZINC000916282605 727673533 /nfs/dbraw/zinc/67/35/33/727673533.db2.gz KAIVSXPFBXPGMH-UHFFFAOYSA-N -1 0 331.376 2.519 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000916325343 727675663 /nfs/dbraw/zinc/67/56/63/727675663.db2.gz IWTKAJXWNSAGQG-UHFFFAOYSA-N -1 0 343.236 2.547 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000916312757 727676329 /nfs/dbraw/zinc/67/63/29/727676329.db2.gz NGWPASIEKWXTHN-UHFFFAOYSA-N -1 0 335.363 2.965 20 30 EFEDRM O=C([O-])c1ccccc1C=NN1C(=S)N=NC1c1cccs1 ZINC000916314145 727676470 /nfs/dbraw/zinc/67/64/70/727676470.db2.gz OKLUITSEQNAJBV-UHFFFAOYSA-N -1 0 330.394 2.876 20 30 EFEDRM CC(C)C1N=NC(=S)N1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000916313073 727676505 /nfs/dbraw/zinc/67/65/05/727676505.db2.gz ZZDOCFPUCRCFOR-UHFFFAOYSA-N -1 0 341.780 2.840 20 30 EFEDRM O=C([O-])c1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000916581714 727699517 /nfs/dbraw/zinc/69/95/17/727699517.db2.gz NJIWCXYRLFQRKD-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000916809860 727737274 /nfs/dbraw/zinc/73/72/74/727737274.db2.gz USVNHOKENWCOMD-UHFFFAOYSA-N -1 0 346.433 2.789 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916866934 727740158 /nfs/dbraw/zinc/74/01/58/727740158.db2.gz NMKBOLNVIYOONR-LBPRGKRZSA-N -1 0 343.364 2.754 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(F)cc2c1C ZINC000916867576 727740195 /nfs/dbraw/zinc/74/01/95/727740195.db2.gz DMZGCMSVBGYIEX-AWEZNQCLSA-N -1 0 346.358 2.746 20 30 EFEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916869431 727740304 /nfs/dbraw/zinc/74/03/04/727740304.db2.gz IRAAXPYJMQDGMW-CYBMUJFWSA-N -1 0 326.352 2.524 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916876682 727740458 /nfs/dbraw/zinc/74/04/58/727740458.db2.gz GKQVKDUFRVWJOZ-LLVKDONJSA-N -1 0 327.306 2.729 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC)c([N+](=O)[O-])c1 ZINC000916875576 727740492 /nfs/dbraw/zinc/74/04/92/727740492.db2.gz DHPIVLLNIVQIPB-ZDUSSCGKSA-N -1 0 346.387 2.655 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1CSC ZINC000916918056 727741703 /nfs/dbraw/zinc/74/17/03/727741703.db2.gz PJBGXHDKUJWQKZ-GFCCVEGCSA-N -1 0 328.393 2.920 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000916919179 727741791 /nfs/dbraw/zinc/74/17/91/727741791.db2.gz ZZMWEHLPUNEVIW-GFCCVEGCSA-N -1 0 329.356 2.517 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916946954 727745381 /nfs/dbraw/zinc/74/53/81/727745381.db2.gz RAPTVQJSTMFXNB-IBGZPJMESA-N -1 0 330.387 2.933 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000912825062 727748178 /nfs/dbraw/zinc/74/81/78/727748178.db2.gz BENBIHSUXIRTRV-UHFFFAOYSA-N -1 0 333.254 2.901 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000912825260 727748267 /nfs/dbraw/zinc/74/82/67/727748267.db2.gz ODPSBDJQADAGQF-UHFFFAOYSA-N -1 0 346.293 2.751 20 30 EFEDRM C=CCSc1ccccc1C(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC000912862339 727752483 /nfs/dbraw/zinc/75/24/83/727752483.db2.gz NCCGFGGDHXJTLN-LBPRGKRZSA-N -1 0 349.485 2.702 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000913301799 727814623 /nfs/dbraw/zinc/81/46/23/727814623.db2.gz BJRUBEPPGMZNNK-LBPRGKRZSA-N -1 0 331.372 2.640 20 30 EFEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000054801582 727879974 /nfs/dbraw/zinc/87/99/74/727879974.db2.gz FWELTBZIARPHQV-UHFFFAOYSA-N -1 0 330.365 2.650 20 30 EFEDRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000070036510 727950776 /nfs/dbraw/zinc/95/07/76/727950776.db2.gz SBARRHIVXZMUAW-CYBMUJFWSA-N -1 0 331.821 2.738 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)=O)cn2C)cc1 ZINC000045098471 727972664 /nfs/dbraw/zinc/97/26/64/727972664.db2.gz CYBWXMQGQQTEEJ-UHFFFAOYSA-N -1 0 348.424 2.874 20 30 EFEDRM Cc1cccc(OCC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000045100266 727972672 /nfs/dbraw/zinc/97/26/72/727972672.db2.gz FGLSEXJWWVNCAT-UHFFFAOYSA-N -1 0 337.372 2.999 20 30 EFEDRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099935 727972699 /nfs/dbraw/zinc/97/26/99/727972699.db2.gz BEDSAZLZMLONKL-UHFFFAOYSA-N -1 0 330.768 2.652 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000183134908 727974828 /nfs/dbraw/zinc/97/48/28/727974828.db2.gz MOJTWKMTSDPHCY-LLVKDONJSA-N -1 0 347.352 2.686 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183136732 727975295 /nfs/dbraw/zinc/97/52/95/727975295.db2.gz NLKUURBPNBPASQ-GFCCVEGCSA-N -1 0 332.381 2.787 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183238991 728003012 /nfs/dbraw/zinc/00/30/12/728003012.db2.gz NUMGGDWIBLIJMH-UHFFFAOYSA-N -1 0 331.259 2.594 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCc2cccs2)c1Cl ZINC000058052747 728132343 /nfs/dbraw/zinc/13/23/43/728132343.db2.gz IFKIMFFEEKPKPK-UHFFFAOYSA-N -1 0 347.849 2.803 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccccc1-n1cccn1 ZINC000058076600 728140186 /nfs/dbraw/zinc/14/01/86/728140186.db2.gz PCIJKGHKXOFFGO-UHFFFAOYSA-N -1 0 333.413 2.839 20 30 EFEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccsc1 ZINC000058102329 728143683 /nfs/dbraw/zinc/14/36/83/728143683.db2.gz YTLQKFSCPMZHPF-UHFFFAOYSA-N -1 0 341.801 2.743 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058113524 728144488 /nfs/dbraw/zinc/14/44/88/728144488.db2.gz XXLVFXNIRDPLNC-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058115157 728144884 /nfs/dbraw/zinc/14/48/84/728144884.db2.gz ZBPOODNRFGAIRN-UHFFFAOYSA-N -1 0 345.380 2.743 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000157967777 728265597 /nfs/dbraw/zinc/26/55/97/728265597.db2.gz CHKMFPGVCGJURM-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)ccc1Br ZINC000158019198 728274361 /nfs/dbraw/zinc/27/43/61/728274361.db2.gz VHIJFWMSWKMUAE-NSHDSACASA-N -1 0 346.184 2.696 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000046927578 728325777 /nfs/dbraw/zinc/32/57/77/728325777.db2.gz KFPAQYHAEATNDS-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000046929179 728325815 /nfs/dbraw/zinc/32/58/15/728325815.db2.gz ZMAKULFTIOBDQG-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131035422 728329772 /nfs/dbraw/zinc/32/97/72/728329772.db2.gz VJYQCRPXNDRZBB-CYBMUJFWSA-N -1 0 329.381 2.782 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1F ZINC000170671977 728463920 /nfs/dbraw/zinc/46/39/20/728463920.db2.gz ZATLHSNEMJFHQP-LBPRGKRZSA-N -1 0 346.383 2.696 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2onc(CC)c2c1 ZINC000171265850 728526222 /nfs/dbraw/zinc/52/62/22/728526222.db2.gz BWDZXHOPPVMPLT-CQSZACIVSA-N -1 0 342.399 2.804 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2onc(CC)c2c1 ZINC000171265843 728526249 /nfs/dbraw/zinc/52/62/49/728526249.db2.gz BWDZXHOPPVMPLT-AWEZNQCLSA-N -1 0 342.399 2.804 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000171327630 728530126 /nfs/dbraw/zinc/53/01/26/728530126.db2.gz ZCECFALLAMXYPF-ZDUSSCGKSA-N -1 0 334.441 2.970 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(F)F)c2)cc1 ZINC000171564915 728541109 /nfs/dbraw/zinc/54/11/09/728541109.db2.gz ZARYEFPXOFUJKZ-UHFFFAOYSA-N -1 0 336.319 2.615 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1 ZINC000171566014 728541119 /nfs/dbraw/zinc/54/11/19/728541119.db2.gz URWNPMVQMZPORH-AWEZNQCLSA-N -1 0 338.354 2.878 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000173789877 728635556 /nfs/dbraw/zinc/63/55/56/728635556.db2.gz QZSLCTDIWQFCBS-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000173935174 728640912 /nfs/dbraw/zinc/64/09/12/728640912.db2.gz MGCNMQMSHNSXAZ-QGZVFWFLSA-N -1 0 326.396 2.976 20 30 EFEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)c(C)c2c1 ZINC000173974316 728643372 /nfs/dbraw/zinc/64/33/72/728643372.db2.gz ZEPIJKSQDRGNCY-CYBMUJFWSA-N -1 0 328.393 2.819 20 30 EFEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000173937099 728643443 /nfs/dbraw/zinc/64/34/43/728643443.db2.gz MJQPSMZTGCHZGC-ZDUSSCGKSA-N -1 0 335.201 2.702 20 30 EFEDRM Cn1c(C([O-])=C(C#N)C(=O)NC2CC2)cc2cc(C(F)(F)F)ccc21 ZINC000173975744 728644100 /nfs/dbraw/zinc/64/41/00/728644100.db2.gz LITBZKXTKOJPIE-GFCCVEGCSA-N -1 0 349.312 2.798 20 30 EFEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1F ZINC000173982287 728644319 /nfs/dbraw/zinc/64/43/19/728644319.db2.gz BIGVMFXMZDOYEP-ZDUSSCGKSA-N -1 0 347.390 2.657 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063878460 728653106 /nfs/dbraw/zinc/65/31/06/728653106.db2.gz BOMPFWZTJVGTMR-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C#CCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000174574700 728671256 /nfs/dbraw/zinc/67/12/56/728671256.db2.gz NNUSHZUMXNYAIW-UHFFFAOYSA-N -1 0 337.301 2.740 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)CSc2n[n-]c(=S)s2)c1 ZINC000080639578 728989068 /nfs/dbraw/zinc/98/90/68/728989068.db2.gz ODPYDBAIWYLNNP-UHFFFAOYSA-N -1 0 335.479 2.953 20 30 EFEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571631 729003589 /nfs/dbraw/zinc/00/35/89/729003589.db2.gz TXIYEFIHNPFOMX-GHMZBOCLSA-N -1 0 337.319 2.776 20 30 EFEDRM CCc1cccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1O ZINC000919401034 729020542 /nfs/dbraw/zinc/02/05/42/729020542.db2.gz AZUVBBLGCKTWJC-ZDUSSCGKSA-N -1 0 344.392 2.753 20 30 EFEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604380 729047299 /nfs/dbraw/zinc/04/72/99/729047299.db2.gz YXLVFNPLDVSNFB-ZIAGYGMSSA-N -1 0 325.430 2.990 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000155036672 729059287 /nfs/dbraw/zinc/05/92/87/729059287.db2.gz RXNGUCODGPFFIW-GOSISDBHSA-N -1 0 336.391 2.896 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)ccc2F)n1 ZINC000921255559 729279386 /nfs/dbraw/zinc/27/93/86/729279386.db2.gz SSKHOVOUCBNRQM-LLVKDONJSA-N -1 0 336.319 2.763 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COc2ccc(C)cc2)n1 ZINC000921249815 729280771 /nfs/dbraw/zinc/28/07/71/729280771.db2.gz JVICIGSENRVVMH-AWEZNQCLSA-N -1 0 344.392 2.558 20 30 EFEDRM CC(C)OCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000064666711 729507405 /nfs/dbraw/zinc/50/74/05/729507405.db2.gz TVNCBRYUERRLMJ-UHFFFAOYSA-N -1 0 325.308 2.776 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)C1CC1 ZINC000064683084 729509289 /nfs/dbraw/zinc/50/92/89/729509289.db2.gz PJBQCEOASKQLDC-SECBINFHSA-N -1 0 326.374 2.985 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000741656389 729515300 /nfs/dbraw/zinc/51/53/00/729515300.db2.gz BJPLXZSGMGKBAQ-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000741657628 729529804 /nfs/dbraw/zinc/52/98/04/729529804.db2.gz SWTBQIYQYLHPCE-UHFFFAOYSA-N -1 0 333.384 2.822 20 30 EFEDRM O=C1c2ccc([O-])cc2O/C1=C\c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000067943325 729585735 /nfs/dbraw/zinc/58/57/35/729585735.db2.gz DLFFTNIRHOGOGG-SOFYXZRVSA-N -1 0 341.275 2.688 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000179741945 729619375 /nfs/dbraw/zinc/61/93/75/729619375.db2.gz YASDKGZOWVGZAB-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000179978388 729661147 /nfs/dbraw/zinc/66/11/47/729661147.db2.gz ZAQLRPBTEBSYKH-QGZVFWFLSA-N -1 0 337.379 2.508 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@H](C)C1CC1 ZINC000068336909 729666203 /nfs/dbraw/zinc/66/62/03/729666203.db2.gz PJBQCEOASKQLDC-VIFPVBQESA-N -1 0 326.374 2.985 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001465108485 804099829 /nfs/dbraw/zinc/09/98/29/804099829.db2.gz SGABZRWEIGMJPV-JKSUJKDBSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001465115135 804149923 /nfs/dbraw/zinc/14/99/23/804149923.db2.gz KQJVLDDCPKFWSQ-OAGGEKHMSA-N -1 0 337.441 2.867 20 30 EFEDRM C=CCN(Cc1ccc(C)cc1)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001465118062 804179246 /nfs/dbraw/zinc/17/92/46/804179246.db2.gz VNKXPCWWMQIFTF-JKSUJKDBSA-N -1 0 337.441 2.566 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000780575563 939136384 /nfs/dbraw/zinc/13/63/84/939136384.db2.gz DVSCOSSXJGHXBW-CVEARBPZSA-N -1 0 325.368 2.824 20 30 EFEDRM C=C(Br)CNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000797716021 939177223 /nfs/dbraw/zinc/17/72/23/939177223.db2.gz XVCLBGCKPWILSD-GFCCVEGCSA-N -1 0 341.205 2.637 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000797757984 939211760 /nfs/dbraw/zinc/21/17/60/939211760.db2.gz XBNDHXBEKUWUCW-MRXNPFEDSA-N -1 0 341.367 2.984 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC000849213204 939236277 /nfs/dbraw/zinc/23/62/77/939236277.db2.gz WQGBYEFEDPDILS-KTXOBNNYSA-N -1 0 330.384 2.854 20 30 EFEDRM Cc1cc(Br)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001611125398 970901881 /nfs/dbraw/zinc/90/18/81/970901881.db2.gz HJVHKEKRUZQXIL-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)c1 ZINC001611146393 970911320 /nfs/dbraw/zinc/91/13/20/970911320.db2.gz LELRVWKFWILJAC-SJORKVTESA-N -1 0 336.338 2.536 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(F)cc1Br ZINC001611150754 970915493 /nfs/dbraw/zinc/91/54/93/970915493.db2.gz VYRGVPKGRSQXIU-CYBMUJFWSA-N -1 0 343.152 2.840 20 30 EFEDRM N#Cc1cscc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001601132206 970940396 /nfs/dbraw/zinc/94/03/96/970940396.db2.gz LDNYSRBWODKIRE-UONOGXRCSA-N -1 0 326.377 2.560 20 30 EFEDRM N#C[C@H](COC(=O)CCC(=O)[O-])Cc1ccccc1Br ZINC001611291320 970977207 /nfs/dbraw/zinc/97/72/07/970977207.db2.gz NYLBENQUTGODKU-SNVBAGLBSA-N -1 0 340.173 2.539 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001602671320 971234532 /nfs/dbraw/zinc/23/45/32/971234532.db2.gz BYQAZOYSISODCA-MRXNPFEDSA-N -1 0 343.766 2.908 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824019981 946558087 /nfs/dbraw/zinc/55/80/87/946558087.db2.gz XFEFFEKGAGRQJA-UHFFFAOYSA-N -1 0 332.367 2.577 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001602682238 971266589 /nfs/dbraw/zinc/26/65/89/971266589.db2.gz JZXZITMIRCGJPJ-LJQANCHMSA-N -1 0 335.403 2.949 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001602683598 971274367 /nfs/dbraw/zinc/27/43/67/971274367.db2.gz GTGIDNDJOOQDKI-MRXNPFEDSA-N -1 0 334.803 2.911 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC001602684057 971277879 /nfs/dbraw/zinc/27/78/79/971277879.db2.gz PBCPEEAZXYMUPV-HNNXBMFYSA-N -1 0 332.400 2.512 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001602688181 971288471 /nfs/dbraw/zinc/28/84/71/971288471.db2.gz FSFVZDNERXGRHA-GOSISDBHSA-N -1 0 347.374 2.894 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1Nc1cccc(OC)c1 ZINC001602692247 971300761 /nfs/dbraw/zinc/30/07/61/971300761.db2.gz HTSHKGIPNKJEKR-UHFFFAOYSA-N -1 0 338.363 2.599 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001602695515 971308672 /nfs/dbraw/zinc/30/86/72/971308672.db2.gz HZYUZYBWJBPAOG-UHFFFAOYSA-N -1 0 328.437 2.904 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC001602695545 971308850 /nfs/dbraw/zinc/30/88/50/971308850.db2.gz JAMQSDYEFAVUOQ-UHFFFAOYSA-N -1 0 327.380 2.745 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001602704465 971334185 /nfs/dbraw/zinc/33/41/85/971334185.db2.gz GOEBLZNVHBOCJS-MGBSGCIJSA-N -1 0 326.396 2.791 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001602712079 971353202 /nfs/dbraw/zinc/35/32/02/971353202.db2.gz GEDDFOLZOBXZMK-AWEZNQCLSA-N -1 0 345.395 2.566 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001602719146 971381847 /nfs/dbraw/zinc/38/18/47/971381847.db2.gz SFBWLRUZVMDUAF-MRXNPFEDSA-N -1 0 343.427 2.815 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC001602719172 971382934 /nfs/dbraw/zinc/38/29/34/971382934.db2.gz UEVRMWXKTLNENL-UHFFFAOYSA-N -1 0 331.368 2.889 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001602722012 971385664 /nfs/dbraw/zinc/38/56/64/971385664.db2.gz OPMUHHQOIMGPDH-HNNXBMFYSA-N -1 0 339.457 2.830 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2n1 ZINC001602730797 971409506 /nfs/dbraw/zinc/40/95/06/971409506.db2.gz BYGCESFXBGNMSR-OAHLLOKOSA-N -1 0 330.388 2.843 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001602778709 971512651 /nfs/dbraw/zinc/51/26/51/971512651.db2.gz LOAXRCQPIWZLKK-IBGZPJMESA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001602781488 971524609 /nfs/dbraw/zinc/52/46/09/971524609.db2.gz AHAJALBTFYYYPF-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 ZINC001589591978 949097700 /nfs/dbraw/zinc/09/77/00/949097700.db2.gz UVSNBSQCXKZDQF-YXBWYFRISA-N -1 0 329.396 2.837 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000092477459 949146807 /nfs/dbraw/zinc/14/68/07/949146807.db2.gz RYMAUPKZWSLYFR-UHFFFAOYSA-N -1 0 325.748 2.854 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000230009370 949664990 /nfs/dbraw/zinc/66/49/90/949664990.db2.gz VJQYDCFSTNPFDG-VIFPVBQESA-N -1 0 325.162 2.681 20 30 EFEDRM CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](C)C(=O)[O-] ZINC001589710807 950323095 /nfs/dbraw/zinc/32/30/95/950323095.db2.gz HQRYOEKMVKIHNK-GFCCVEGCSA-N -1 0 342.351 2.665 20 30 EFEDRM CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)C(=O)[O-] ZINC001589718698 950380369 /nfs/dbraw/zinc/38/03/69/950380369.db2.gz DIMUMWMSABELMM-NSHDSACASA-N -1 0 349.456 2.622 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N(C)CCC#N ZINC000380592407 971708409 /nfs/dbraw/zinc/70/84/09/971708409.db2.gz LVFDUAPOYXYBCV-UHFFFAOYSA-N -1 0 340.177 2.833 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001602861406 971720556 /nfs/dbraw/zinc/72/05/56/971720556.db2.gz WDMQOIYHVXTMIV-HNNXBMFYSA-N -1 0 332.400 2.527 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001592663058 951343241 /nfs/dbraw/zinc/34/32/41/951343241.db2.gz AQXCQCQRMUHVQK-KGLIPLIRSA-N -1 0 330.384 2.833 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593642150 953654073 /nfs/dbraw/zinc/65/40/73/953654073.db2.gz HBAPLGIUBRHKSF-KFWWJZLASA-N -1 0 342.395 2.570 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-] ZINC001603005163 972056281 /nfs/dbraw/zinc/05/62/81/972056281.db2.gz UWVPZLPWPNNSOT-CYBMUJFWSA-N -1 0 332.375 2.592 20 30 EFEDRM CC[C@H](CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC001589548963 955207179 /nfs/dbraw/zinc/20/71/79/955207179.db2.gz BBBIYQASCWNLGE-OAHLLOKOSA-N -1 0 339.395 2.806 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000386821133 972082739 /nfs/dbraw/zinc/08/27/39/972082739.db2.gz UDAOABNPHYBDDG-UHFFFAOYSA-N -1 0 325.411 2.844 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001589002135 955338438 /nfs/dbraw/zinc/33/84/38/955338438.db2.gz NMOYRAKPGKNTJE-ZDUSSCGKSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594506091 955357564 /nfs/dbraw/zinc/35/75/64/955357564.db2.gz BVPZMVHVWOQOTC-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM CC(C)C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC001603036629 972097419 /nfs/dbraw/zinc/09/74/19/972097419.db2.gz MPEYPURWPAONKX-LLVKDONJSA-N -1 0 341.314 2.780 20 30 EFEDRM C[C@](CNC(=O)[C@@H](CC#N)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589040386 955592910 /nfs/dbraw/zinc/59/29/10/955592910.db2.gz WGYOTQDOSUFWQT-FXAWDEMLSA-N -1 0 336.391 2.843 20 30 EFEDRM C[C@](CNC(=O)c1sccc1CC#N)(C(=O)[O-])c1ccccc1 ZINC001589067354 955760538 /nfs/dbraw/zinc/76/05/38/955760538.db2.gz JRJSKSQHGVKDFK-QGZVFWFLSA-N -1 0 328.393 2.586 20 30 EFEDRM C[C@](CNc1ccc([N+](=O)[O-])cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072477 955785610 /nfs/dbraw/zinc/78/56/10/955785610.db2.gz ZNCVFBMDIGPALT-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589079558 955842227 /nfs/dbraw/zinc/84/22/27/955842227.db2.gz SMVWSBWUYJAWSL-MGBSGCIJSA-N -1 0 342.439 2.988 20 30 EFEDRM N#Cc1c(Cl)nsc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000852912300 955853359 /nfs/dbraw/zinc/85/33/59/955853359.db2.gz PAUMPHGZXFMDEK-NWDGAFQWSA-N -1 0 333.800 2.973 20 30 EFEDRM N#Cc1ncc(Br)cc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000852909894 955854188 /nfs/dbraw/zinc/85/41/88/955854188.db2.gz FIXHAOGHWSGSCU-SNVBAGLBSA-N -1 0 338.205 2.797 20 30 EFEDRM CO[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593920646 956073202 /nfs/dbraw/zinc/07/32/02/956073202.db2.gz NFLGNHMOMIEXKB-SJKOYZFVSA-N -1 0 338.363 2.502 20 30 EFEDRM N#C[C@@H](C(=O)[C@@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600722 956124789 /nfs/dbraw/zinc/12/47/89/956124789.db2.gz DQOQOGSJQAVHER-CABZTGNLSA-N -1 0 333.294 2.718 20 30 EFEDRM N#C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC001594600913 956127277 /nfs/dbraw/zinc/12/72/77/956127277.db2.gz CORYJAZEFGVPHF-WDEREUQCSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC001594600910 956127701 /nfs/dbraw/zinc/12/77/01/956127701.db2.gz CORYJAZEFGVPHF-MNOVXSKESA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594601168 956131578 /nfs/dbraw/zinc/13/15/78/956131578.db2.gz JHRXMTLQLUGCLN-AWEZNQCLSA-N -1 0 331.274 2.955 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)CC1 ZINC001594602263 956143940 /nfs/dbraw/zinc/14/39/40/956143940.db2.gz LJJJDZCPCYAGLX-CQSZACIVSA-N -1 0 326.396 2.959 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC001594605739 956171271 /nfs/dbraw/zinc/17/12/71/956171271.db2.gz HQHCFAZPBOPXML-SJORKVTESA-N -1 0 343.427 2.798 20 30 EFEDRM N#CCC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001594605812 956172233 /nfs/dbraw/zinc/17/22/33/956172233.db2.gz JCFVRGACLYAMNR-KRWDZBQOSA-N -1 0 338.363 2.925 20 30 EFEDRM N#CC[C@@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(F)(F)F ZINC001594606029 956175983 /nfs/dbraw/zinc/17/59/83/956175983.db2.gz MZNLQRUOPHFHDE-CMPLNLGQSA-N -1 0 345.321 2.515 20 30 EFEDRM N#CCCCN1C(=O)CCc2cc(N[C@@H](C(=O)[O-])C3CC3)ccc21 ZINC001594609207 956191120 /nfs/dbraw/zinc/19/11/20/956191120.db2.gz VPHSQQUIRGXYMF-QGZVFWFLSA-N -1 0 327.384 2.545 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001594609131 956191197 /nfs/dbraw/zinc/19/11/97/956191197.db2.gz QIABPBBMEKRYTR-CJNGLKHVSA-N -1 0 346.383 2.578 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594609249 956191970 /nfs/dbraw/zinc/19/19/70/956191970.db2.gz ZFTYXJKMMGYWRT-AATRIKPKSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCOc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001594610348 956201176 /nfs/dbraw/zinc/20/11/76/956201176.db2.gz XACHKZAAAXLJBL-AWEZNQCLSA-N -1 0 331.372 2.840 20 30 EFEDRM N#CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001594610902 956207578 /nfs/dbraw/zinc/20/75/78/956207578.db2.gz CDLBNXOHMUVDAY-OAHLLOKOSA-N -1 0 327.315 2.839 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001594611571 956216323 /nfs/dbraw/zinc/21/63/23/956216323.db2.gz YGLLZLFJBPYSNZ-LSDHHAIUSA-N -1 0 336.351 2.582 20 30 EFEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 ZINC000880601511 956235599 /nfs/dbraw/zinc/23/55/99/956235599.db2.gz ZHCGIMWQPZSLDH-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM N#Cc1cc(N[C@H]2CCC[C@H]2C(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001594617001 956245289 /nfs/dbraw/zinc/24/52/89/956245289.db2.gz ANKQKQGCFSDXTC-YPMHNXCESA-N -1 0 326.312 2.680 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)c1coc(/C=C\C(=O)[O-])c1)CCCC2 ZINC001594616982 956245473 /nfs/dbraw/zinc/24/54/73/956245473.db2.gz ACEYTCABOFGIPS-WAYWQWQTSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)c1coc(/C=C/C(=O)[O-])c1)CCCC2 ZINC001594616977 956245555 /nfs/dbraw/zinc/24/55/55/956245555.db2.gz ACEYTCABOFGIPS-AATRIKPKSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1ccc(-n2ccc(NC(=O)CCCC(=O)[O-])n2)c(Cl)c1 ZINC001594617395 956248590 /nfs/dbraw/zinc/24/85/90/956248590.db2.gz JOHMZFGEIHTVSW-UHFFFAOYSA-N -1 0 332.747 2.591 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N(CC(=O)[O-])C3CCC3)CCCC2)cc1 ZINC001594618431 956264727 /nfs/dbraw/zinc/26/47/27/956264727.db2.gz OFHGKNBYPDMVPS-UHFFFAOYSA-N -1 0 326.396 2.836 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594619953 956272629 /nfs/dbraw/zinc/27/26/29/956272629.db2.gz UFDHKPDBBMVQRD-AWEZNQCLSA-N -1 0 339.326 2.913 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899312369 956283092 /nfs/dbraw/zinc/28/30/92/956283092.db2.gz ZGNASNBHNFSIRU-OAHLLOKOSA-N -1 0 330.384 2.950 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3cccc(CCC(=O)[O-])c3)C2=O)cc1 ZINC001594621479 956285935 /nfs/dbraw/zinc/28/59/35/956285935.db2.gz MPKAXCLIRORUIY-GOSISDBHSA-N -1 0 349.390 2.793 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(C2CC2)c1 ZINC001594622999 956294976 /nfs/dbraw/zinc/29/49/76/956294976.db2.gz STFJCCLWBMNQAJ-ZIAGYGMSSA-N -1 0 328.368 2.644 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(C2CC2)c1 ZINC001594622997 956295328 /nfs/dbraw/zinc/29/53/28/956295328.db2.gz STFJCCLWBMNQAJ-UONOGXRCSA-N -1 0 328.368 2.644 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3n[nH]cc3C(=O)[O-])c2)cc1 ZINC001594624101 956302586 /nfs/dbraw/zinc/30/25/86/956302586.db2.gz QBVFPADBSFROCE-UHFFFAOYSA-N -1 0 347.334 2.975 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CC2)c1 ZINC001594625406 956309698 /nfs/dbraw/zinc/30/96/98/956309698.db2.gz GRWMRDCKSCEROI-AWEZNQCLSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)on2)c1 ZINC001594627884 956325576 /nfs/dbraw/zinc/32/55/76/956325576.db2.gz XVQASTJYVJBSIG-ZDUSSCGKSA-N -1 0 339.351 2.540 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594628881 956337182 /nfs/dbraw/zinc/33/71/82/956337182.db2.gz UIJWBUFSZVAIHR-GFCCVEGCSA-N -1 0 336.338 2.753 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594628882 956337945 /nfs/dbraw/zinc/33/79/45/956337945.db2.gz UIJWBUFSZVAIHR-LBPRGKRZSA-N -1 0 336.338 2.753 20 30 EFEDRM N#Cc1cnc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c2sccc21 ZINC001594632765 956354451 /nfs/dbraw/zinc/35/44/51/956354451.db2.gz BBNFUQDFEYCAHX-FBWYHRDQSA-N -1 0 343.408 2.992 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC001594635000 956366805 /nfs/dbraw/zinc/36/68/05/956366805.db2.gz FSPSSFMHNXJYPB-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589175285 956494128 /nfs/dbraw/zinc/49/41/28/956494128.db2.gz XFDXCZQNPKWSRI-CYBMUJFWSA-N -1 0 338.363 2.855 20 30 EFEDRM C[C@]1(C#N)CCCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001589181494 956523925 /nfs/dbraw/zinc/52/39/25/956523925.db2.gz JZRBUJKSKIVQNU-KBXCAEBGSA-N -1 0 331.416 2.706 20 30 EFEDRM CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC001589191299 956594678 /nfs/dbraw/zinc/59/46/78/956594678.db2.gz OALKRLGBISFCFA-MRXNPFEDSA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC001589196774 956618121 /nfs/dbraw/zinc/61/81/21/956618121.db2.gz WWJXYIBFDMGCRT-IBGZPJMESA-N -1 0 339.395 2.882 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000902093853 956647898 /nfs/dbraw/zinc/64/78/98/956647898.db2.gz ZFNHOBUOYIQBAV-FQEVSTJZSA-N -1 0 348.402 2.928 20 30 EFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001589206126 956666849 /nfs/dbraw/zinc/66/68/49/956666849.db2.gz TZUKVKUEQUWRQV-UHFFFAOYSA-N -1 0 334.803 2.965 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001589220263 956766933 /nfs/dbraw/zinc/76/69/33/956766933.db2.gz ZZMMLHYRRMMZQU-AWEZNQCLSA-N -1 0 337.719 2.559 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000013388555 957041608 /nfs/dbraw/zinc/04/16/08/957041608.db2.gz CFRBJXOYZJOEBL-SMDDNHRTSA-N -1 0 344.392 2.719 20 30 EFEDRM C[C@@](CNC(=O)C1(c2cccc(C#N)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC001603168651 972268654 /nfs/dbraw/zinc/26/86/54/972268654.db2.gz WWGRHOWJIOXXJG-FQEVSTJZSA-N -1 0 348.402 2.749 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001588373113 957966195 /nfs/dbraw/zinc/96/61/95/957966195.db2.gz ACMBPOHJZMHRIS-ZDUSSCGKSA-N -1 0 329.743 2.929 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603200206 972308254 /nfs/dbraw/zinc/30/82/54/972308254.db2.gz XRPLJMWMBZAKGX-XOBRGWDASA-N -1 0 336.391 2.853 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594310701 958012344 /nfs/dbraw/zinc/01/23/44/958012344.db2.gz JOGJIWQANKSFEV-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001588395109 958038053 /nfs/dbraw/zinc/03/80/53/958038053.db2.gz CKFDOWGILFHZLH-UXLLHSPISA-N -1 0 326.396 2.572 20 30 EFEDRM N#Cc1ccc(Cl)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000088547156 958059787 /nfs/dbraw/zinc/05/97/87/958059787.db2.gz YOTJVJKMLGNLGG-UHFFFAOYSA-N -1 0 342.785 2.772 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001588407688 958102939 /nfs/dbraw/zinc/10/29/39/958102939.db2.gz UNAIHGFHLXTCOP-UHFFFAOYSA-N -1 0 348.811 2.552 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001588408749 958116485 /nfs/dbraw/zinc/11/64/85/958116485.db2.gz CBPVNFQKOVEAHH-UHFFFAOYSA-N -1 0 338.363 2.708 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC001588408690 958116564 /nfs/dbraw/zinc/11/65/64/958116564.db2.gz ZDQVKMVOSGMCHE-UHFFFAOYSA-N -1 0 334.441 2.679 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C)cc2)c1 ZINC001588408859 958119684 /nfs/dbraw/zinc/11/96/84/958119684.db2.gz ISBCYWYEFYWERD-UHFFFAOYSA-N -1 0 336.391 2.891 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC001588412905 958154752 /nfs/dbraw/zinc/15/47/52/958154752.db2.gz MRWIFXYCWNYRKP-UHFFFAOYSA-N -1 0 329.381 2.670 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC001588412966 958154796 /nfs/dbraw/zinc/15/47/96/958154796.db2.gz OQNUEMIFGUGWDC-GFCCVEGCSA-N -1 0 331.397 2.633 20 30 EFEDRM Cc1cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(C#N)cc1N(C)C ZINC001594325064 958157832 /nfs/dbraw/zinc/15/78/32/958157832.db2.gz WDJUMWUMTJXJTH-SNAWJCMRSA-N -1 0 339.351 2.876 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1c(CC)onc1-c1ccccc1Cl ZINC001588417350 958171572 /nfs/dbraw/zinc/17/15/72/958171572.db2.gz JYTHDKMITYDWDO-UHFFFAOYSA-N -1 0 346.770 2.717 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001588417408 958172347 /nfs/dbraw/zinc/17/23/47/958172347.db2.gz MVBPWUZNYCGESE-UHFFFAOYSA-N -1 0 338.407 2.871 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594328014 958189198 /nfs/dbraw/zinc/18/91/98/958189198.db2.gz FKFLCDUMBMVGOK-LLVKDONJSA-N -1 0 325.324 2.713 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001588423947 958209863 /nfs/dbraw/zinc/20/98/63/958209863.db2.gz HZVVJYMJXNZNBX-UHFFFAOYSA-N -1 0 345.830 2.721 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001588433058 958290911 /nfs/dbraw/zinc/29/09/11/958290911.db2.gz CBGGNKMUZZBSTE-KRWDZBQOSA-N -1 0 338.363 2.954 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001588433936 958301290 /nfs/dbraw/zinc/30/12/90/958301290.db2.gz XIKCUAUJDPKEMC-VXGBXAGGSA-N -1 0 334.347 2.555 20 30 EFEDRM C#Cc1cncc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001588438980 958307991 /nfs/dbraw/zinc/30/79/91/958307991.db2.gz BJIJDTZCVNJPAO-UHFFFAOYSA-N -1 0 334.375 2.781 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001594342919 958311479 /nfs/dbraw/zinc/31/14/79/958311479.db2.gz FBSGRLAODNKNCH-LENZSSGSSA-N -1 0 349.386 2.945 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001588439258 958315250 /nfs/dbraw/zinc/31/52/50/958315250.db2.gz PESICPHYVLMVGN-ZWKOTPCHSA-N -1 0 334.375 2.780 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001588439347 958316490 /nfs/dbraw/zinc/31/64/90/958316490.db2.gz ADVJSCWNGPNFNV-GOSISDBHSA-N -1 0 333.432 2.870 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588439415 958317564 /nfs/dbraw/zinc/31/75/64/958317564.db2.gz BHXNHPZVQRMMTP-IRXDYDNUSA-N -1 0 331.412 2.861 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001588443059 958350631 /nfs/dbraw/zinc/35/06/31/958350631.db2.gz MUHPZEUKRQZAES-CHWSQXEVSA-N -1 0 330.388 2.661 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC001573317895 958457366 /nfs/dbraw/zinc/45/73/66/958457366.db2.gz IDHYCTXGOJVTLP-PKNBQFBNSA-N -1 0 325.286 2.655 20 30 EFEDRM COc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C#N ZINC001594104928 958459412 /nfs/dbraw/zinc/45/94/12/958459412.db2.gz COCVJKNYJGUUPF-AWEZNQCLSA-N -1 0 331.372 2.818 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC001573318284 958462123 /nfs/dbraw/zinc/46/21/23/958462123.db2.gz UREOVIKGFBURIA-HZUKXOBISA-N -1 0 334.803 2.767 20 30 EFEDRM C=CCCCN(CC)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588459739 958468685 /nfs/dbraw/zinc/46/86/85/958468685.db2.gz AZJAHZRBDZNHJI-INIZCTEOSA-N -1 0 329.400 2.521 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588460156 958472689 /nfs/dbraw/zinc/47/26/89/958472689.db2.gz YCCAJPPHAQKEDG-IAGOWNOFSA-N -1 0 347.411 2.793 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001588460395 958474239 /nfs/dbraw/zinc/47/42/39/958474239.db2.gz DJRRRSDCKVGPIX-HIFRSBDPSA-N -1 0 337.441 2.679 20 30 EFEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001573327100 958484955 /nfs/dbraw/zinc/48/49/55/958484955.db2.gz CVXZGIKPJASRGA-RKDXNWHRSA-N -1 0 339.438 2.773 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001594366351 958492591 /nfs/dbraw/zinc/49/25/91/958492591.db2.gz FFCVGLUYGMTVTF-GDBMZVCRSA-N -1 0 330.384 2.512 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC001573328125 958496785 /nfs/dbraw/zinc/49/67/85/958496785.db2.gz BHPSROIRHUEKCT-DZGCQCFKSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCNC(=O)c1cccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001588465440 958502907 /nfs/dbraw/zinc/50/29/07/958502907.db2.gz JYGBSEPVDZYVIV-UONOGXRCSA-N -1 0 341.367 2.621 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1OC ZINC001588466287 958508351 /nfs/dbraw/zinc/50/83/51/958508351.db2.gz HUAGGSHDPDCSCD-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1-c1nc(CC(=O)[O-])no1 ZINC001588466251 958508525 /nfs/dbraw/zinc/50/85/25/958508525.db2.gz DZRIREQHPXKUMH-UHFFFAOYSA-N -1 0 328.246 2.947 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588466340 958510150 /nfs/dbraw/zinc/51/01/50/958510150.db2.gz KULPCHCADFQCAD-INIZCTEOSA-N -1 0 331.412 2.897 20 30 EFEDRM C=C(C)COc1cc(CNc2cnn(CC(=O)[O-])c2)ccc1OC ZINC001573329887 958513635 /nfs/dbraw/zinc/51/36/35/958513635.db2.gz OUCDRBVJZVKDCY-UHFFFAOYSA-N -1 0 331.372 2.543 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc21 ZINC001573336423 958518366 /nfs/dbraw/zinc/51/83/66/958518366.db2.gz AAMXJNDSFUVIQS-CQSZACIVSA-N -1 0 330.388 2.843 20 30 EFEDRM C=CCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001573336995 958519720 /nfs/dbraw/zinc/51/97/20/958519720.db2.gz INVGVGJXZZOVDC-BDAKNGLRSA-N -1 0 325.386 2.610 20 30 EFEDRM C=CCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001573336999 958521737 /nfs/dbraw/zinc/52/17/37/958521737.db2.gz INVGVGJXZZOVDC-IUCAKERBSA-N -1 0 325.386 2.610 20 30 EFEDRM C[C@@H](C#N)CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CC1 ZINC001573365044 958617288 /nfs/dbraw/zinc/61/72/88/958617288.db2.gz RQPNZPVICAJHCY-UONOGXRCSA-N -1 0 331.416 2.705 20 30 EFEDRM C[C@H](C#N)CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CC1 ZINC001573365045 958617834 /nfs/dbraw/zinc/61/78/34/958617834.db2.gz RQPNZPVICAJHCY-ZIAGYGMSSA-N -1 0 331.416 2.705 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)C(=O)/C=C\c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594390242 958704899 /nfs/dbraw/zinc/70/48/99/958704899.db2.gz HRHHBIHEGQENGT-CGQZWFTASA-N -1 0 341.338 2.659 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001573406247 958727683 /nfs/dbraw/zinc/72/76/83/958727683.db2.gz KMFIBAKRWOSDON-UHFFFAOYSA-N -1 0 342.355 2.952 20 30 EFEDRM COc1ccccc1[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC001594144632 958752044 /nfs/dbraw/zinc/75/20/44/958752044.db2.gz XRDXULNDKDNOKW-KUHUBIRLSA-N -1 0 344.411 2.796 20 30 EFEDRM C[C@](NC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001603239832 972382819 /nfs/dbraw/zinc/38/28/19/972382819.db2.gz ZYOHJOAQDJPDPN-QGZVFWFLSA-N -1 0 328.755 2.941 20 30 EFEDRM CC(=O)c1ccc(C#N)c(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001588528352 958886777 /nfs/dbraw/zinc/88/67/77/958886777.db2.gz IWMOSFUCDUMHKE-SWKXRBFHSA-N -1 0 328.368 2.585 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC001588535101 958927415 /nfs/dbraw/zinc/92/74/15/958927415.db2.gz MTADMUIADOEBBQ-GOSISDBHSA-N -1 0 341.367 2.538 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC001588538524 958942494 /nfs/dbraw/zinc/94/24/94/958942494.db2.gz JVBJAOALTKCEIA-CYBMUJFWSA-N -1 0 330.718 2.553 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cccc(Cl)c1Cl ZINC001588539923 958955232 /nfs/dbraw/zinc/95/52/32/958955232.db2.gz GIWWERMEUINLSA-CQSZACIVSA-N -1 0 344.150 2.724 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cccc(Cl)c1Cl ZINC001588539922 958955331 /nfs/dbraw/zinc/95/53/31/958955331.db2.gz GIWWERMEUINLSA-AWEZNQCLSA-N -1 0 344.150 2.724 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001588542345 958970355 /nfs/dbraw/zinc/97/03/55/958970355.db2.gz YJAOXHCKLBMOKH-KRWDZBQOSA-N -1 0 343.314 2.956 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001588542327 958970828 /nfs/dbraw/zinc/97/08/28/958970828.db2.gz WWARKYXXQHMJDY-MRXNPFEDSA-N -1 0 335.310 2.657 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588543095 958976733 /nfs/dbraw/zinc/97/67/33/958976733.db2.gz HNKAIDOMOQEGDD-JTQLQIEISA-N -1 0 344.396 2.622 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588545407 958996064 /nfs/dbraw/zinc/99/60/64/958996064.db2.gz SROUOBRZNSTIAX-MLRMMBSGSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588545484 958996103 /nfs/dbraw/zinc/99/61/03/958996103.db2.gz WBVKHDNPISHEPH-JTQLQIEISA-N -1 0 326.312 2.715 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588545485 958996594 /nfs/dbraw/zinc/99/65/94/958996594.db2.gz WBVKHDNPISHEPH-SNVBAGLBSA-N -1 0 326.312 2.715 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1ccc(C(=O)[O-])cc1 ZINC001594425600 959118525 /nfs/dbraw/zinc/11/85/25/959118525.db2.gz VVCJTSRYRLARRC-UHFFFAOYSA-N -1 0 333.351 2.758 20 30 EFEDRM C=C(Br)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000161500386 959184847 /nfs/dbraw/zinc/18/48/47/959184847.db2.gz FHGIZPRZARWZCR-UHFFFAOYSA-N -1 0 335.104 2.693 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])cc1C#N ZINC001594195207 959189465 /nfs/dbraw/zinc/18/94/65/959189465.db2.gz QOLIWPBDJJPBAA-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1C#N ZINC001573554859 959250002 /nfs/dbraw/zinc/25/00/02/959250002.db2.gz JAPUJEBAWPCFCX-UHFFFAOYSA-N -1 0 348.424 2.882 20 30 EFEDRM Cc1nc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)ccc1C#N ZINC001594446413 959335057 /nfs/dbraw/zinc/33/50/57/959335057.db2.gz PUBIPPHCLPHHEQ-UHFFFAOYSA-N -1 0 349.390 2.980 20 30 EFEDRM Cc1nc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)sc1SCC#N ZINC001594455970 959415733 /nfs/dbraw/zinc/41/57/33/959415733.db2.gz DEMHWRNIJOLNPX-CQSZACIVSA-N -1 0 337.426 2.817 20 30 EFEDRM C[C@@H](C(=O)[O-])c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC001588600991 959422767 /nfs/dbraw/zinc/42/27/67/959422767.db2.gz BSTWJDUYGLBLPN-SNVBAGLBSA-N -1 0 344.346 2.652 20 30 EFEDRM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573621070 959512596 /nfs/dbraw/zinc/51/25/96/959512596.db2.gz XTTRYTGBAJUIEW-ADEWGFFLSA-N -1 0 333.363 2.954 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc(CCC#N)cc2)n1 ZINC001588627256 959590219 /nfs/dbraw/zinc/59/02/19/959590219.db2.gz GIERHJQDVQUEDK-UHFFFAOYSA-N -1 0 341.371 2.803 20 30 EFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC001588631122 959612662 /nfs/dbraw/zinc/61/26/62/959612662.db2.gz DGCWMTHXVRAMDA-INIZCTEOSA-N -1 0 343.427 2.708 20 30 EFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001588639799 959677482 /nfs/dbraw/zinc/67/74/82/959677482.db2.gz FDCBDTVHLDSUAL-CQSZACIVSA-N -1 0 344.346 2.568 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588645521 959732994 /nfs/dbraw/zinc/73/29/94/959732994.db2.gz OVTJOHOGBWNJRK-JKSUJKDBSA-N -1 0 341.411 2.636 20 30 EFEDRM N#CCc1ccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000392574121 972498506 /nfs/dbraw/zinc/49/85/06/972498506.db2.gz DWUQEXMJXVDGOG-KRWDZBQOSA-N -1 0 335.363 2.969 20 30 EFEDRM C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC001573738889 960473994 /nfs/dbraw/zinc/47/39/94/960473994.db2.gz LJWJUIIEOOMIFS-PBHICJAKSA-N -1 0 344.411 2.677 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)NCCSCc1ccccc1C#N ZINC001573778212 960711005 /nfs/dbraw/zinc/71/10/05/960711005.db2.gz VSMSAOGYTNLGFL-UHFFFAOYSA-N -1 0 334.441 2.799 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001574307660 960751518 /nfs/dbraw/zinc/75/15/18/960751518.db2.gz HQEAYTFIDAPPPP-UHFFFAOYSA-N -1 0 348.362 2.702 20 30 EFEDRM Cc1cc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C#N)cc1[N+](=O)[O-] ZINC001574332649 960895130 /nfs/dbraw/zinc/89/51/30/960895130.db2.gz CYJUEGYBBQUCTI-HNNXBMFYSA-N -1 0 337.335 2.963 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001573822012 960966828 /nfs/dbraw/zinc/96/68/28/960966828.db2.gz ZLJIKQMXBSWPBI-GOSISDBHSA-N -1 0 329.400 2.539 20 30 EFEDRM CCCN(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001573853717 961133381 /nfs/dbraw/zinc/13/33/81/961133381.db2.gz AEHCREUUDLWBLF-UHFFFAOYSA-N -1 0 349.456 2.624 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001588748971 961209112 /nfs/dbraw/zinc/20/91/12/961209112.db2.gz JSOSYJQHCFKHJH-UHFFFAOYSA-N -1 0 325.368 2.994 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001588809360 961512669 /nfs/dbraw/zinc/51/26/69/961512669.db2.gz NJSSBZWFZKEYBN-CQSZACIVSA-N -1 0 343.408 2.901 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001574479929 961653895 /nfs/dbraw/zinc/65/38/95/961653895.db2.gz QQRJQJSLDCSBTA-WBMJQRKESA-N -1 0 342.301 2.879 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574486094 961681462 /nfs/dbraw/zinc/68/14/62/961681462.db2.gz QIUFRHTUMRZPOS-HZPDHXFCSA-N -1 0 338.363 2.920 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccccc1C(=O)[O-] ZINC001574490061 961711636 /nfs/dbraw/zinc/71/16/36/961711636.db2.gz TVQPJIXKKNSHCE-SFHVURJKSA-N -1 0 334.375 2.993 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C(=O)[O-] ZINC001588853207 961955877 /nfs/dbraw/zinc/95/58/77/961955877.db2.gz RQIKIMMNDIRHBX-JTQLQIEISA-N -1 0 325.315 2.705 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001571170461 962044061 /nfs/dbraw/zinc/04/40/61/962044061.db2.gz FIWJIKIGXWZSBO-SFHVURJKSA-N -1 0 326.327 2.513 20 30 EFEDRM C=C1CCC(CNC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001340076827 962092369 /nfs/dbraw/zinc/09/23/69/962092369.db2.gz BEHXPEULKPTEDT-UHFFFAOYSA-N -1 0 344.411 2.505 20 30 EFEDRM CC(C)CN(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872644 962097575 /nfs/dbraw/zinc/09/75/75/962097575.db2.gz YXMOYMBEGGTJLO-WBVHZDCISA-N -1 0 344.411 2.817 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(NCc2ncc(C(=O)[O-])s2)n1 ZINC001571180070 962147493 /nfs/dbraw/zinc/14/74/93/962147493.db2.gz VSECONVVVQGWRD-UHFFFAOYSA-N -1 0 328.275 2.739 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC001343708948 962167677 /nfs/dbraw/zinc/16/76/77/962167677.db2.gz ADTLSBKBEQHLJU-CHWSQXEVSA-N -1 0 335.425 2.669 20 30 EFEDRM Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])s2)cc1C#N ZINC001571186496 962214044 /nfs/dbraw/zinc/21/40/44/962214044.db2.gz QCVVPNWCCKVZAJ-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM N#Cc1cccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c1F ZINC001571187588 962224423 /nfs/dbraw/zinc/22/44/23/962224423.db2.gz IPGRTZPDKICWJK-OAHLLOKOSA-N -1 0 330.290 2.689 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001571190233 962238746 /nfs/dbraw/zinc/23/87/46/962238746.db2.gz DKXWYDOAPDAOAW-UHFFFAOYSA-N -1 0 330.369 2.787 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(C#N)s2)c1 ZINC001571192026 962269841 /nfs/dbraw/zinc/26/98/41/962269841.db2.gz YSRAWNGXVYYGEC-CQSZACIVSA-N -1 0 330.365 2.526 20 30 EFEDRM COC(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001574083495 962309655 /nfs/dbraw/zinc/30/96/55/962309655.db2.gz QHFRGSUTOCRTCB-GOSISDBHSA-N -1 0 340.335 2.569 20 30 EFEDRM COC(=O)c1cc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2s1 ZINC001574085298 962322752 /nfs/dbraw/zinc/32/27/52/962322752.db2.gz QYAKZHFDEHOHET-INIZCTEOSA-N -1 0 346.364 2.631 20 30 EFEDRM C[C@@](O)(CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1Cl ZINC001571202681 962382401 /nfs/dbraw/zinc/38/24/01/962382401.db2.gz OPEXIZCONGKUFL-MRXNPFEDSA-N -1 0 331.759 2.624 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1F ZINC001571216537 962509439 /nfs/dbraw/zinc/50/94/39/962509439.db2.gz VVLIYWIWIWBPOB-CQSZACIVSA-N -1 0 334.253 2.531 20 30 EFEDRM CC(C)[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001588956289 962598857 /nfs/dbraw/zinc/59/88/57/962598857.db2.gz XMQHPWFWPNQFQN-AWEZNQCLSA-N -1 0 333.388 2.966 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])n1C)[C@H]1CCCc2ccccc21 ZINC001573301514 962628916 /nfs/dbraw/zinc/62/89/16/962628916.db2.gz FMSKVTJXAPYECL-INIZCTEOSA-N -1 0 336.391 2.876 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccccc1 ZINC001573301569 962629864 /nfs/dbraw/zinc/62/98/64/962629864.db2.gz ARKUDJRJTURXOX-MRXNPFEDSA-N -1 0 343.404 2.654 20 30 EFEDRM C#C[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(Br)cc1 ZINC001573302198 962645862 /nfs/dbraw/zinc/64/58/62/962645862.db2.gz KUMVFFODOLBQOG-NSHDSACASA-N -1 0 332.157 2.724 20 30 EFEDRM C#CCN(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001573302437 962653509 /nfs/dbraw/zinc/65/35/09/962653509.db2.gz VYCJSXDKLMSKEN-UHFFFAOYSA-N -1 0 325.324 2.669 20 30 EFEDRM C#C[C@@H](C)N(C)c1nnc(C(C)C)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573302730 962660569 /nfs/dbraw/zinc/66/05/69/962660569.db2.gz PJPMTVUAMPBZHG-CYBMUJFWSA-N -1 0 341.415 2.998 20 30 EFEDRM C#C[C@H](C)N(C)c1nnc(C2CC2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573303128 962670286 /nfs/dbraw/zinc/67/02/86/962670286.db2.gz VMWVGQBVAGRQFK-LBPRGKRZSA-N -1 0 339.399 2.752 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001573312474 962722745 /nfs/dbraw/zinc/72/27/45/962722745.db2.gz VDCCOTYSRAJTEN-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C#Cc1cccc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001573313159 962727968 /nfs/dbraw/zinc/72/79/68/962727968.db2.gz CPAXOYXLVZGUNW-UHFFFAOYSA-N -1 0 337.375 2.678 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588987684 962763180 /nfs/dbraw/zinc/76/31/80/962763180.db2.gz AZNLAEUGCAZFGF-SSDOTTSWSA-N -1 0 326.150 2.571 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)OCC ZINC001573322190 962765391 /nfs/dbraw/zinc/76/53/91/962765391.db2.gz VHGOFYAQTKZADQ-ZACQAIPSSA-N -1 0 331.412 2.685 20 30 EFEDRM C=C(C)C[C@@H](Nc1nc(C)nc2c1cnn2-c1ccccc1)C(=O)[O-] ZINC001573323996 962779802 /nfs/dbraw/zinc/77/98/02/962779802.db2.gz LJCQRURHHQKOKH-OAHLLOKOSA-N -1 0 337.383 2.955 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001573325491 962797398 /nfs/dbraw/zinc/79/73/98/962797398.db2.gz KLDAMEMEUORIMS-UHFFFAOYSA-N -1 0 346.210 2.735 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC001573333064 962849291 /nfs/dbraw/zinc/84/92/91/962849291.db2.gz WMPAEYSJCLRNDO-CQSZACIVSA-N -1 0 331.368 2.542 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573337503 962865930 /nfs/dbraw/zinc/86/59/30/962865930.db2.gz PLDKGGODCKIQEZ-SFHVURJKSA-N -1 0 339.391 2.606 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001573343636 962906256 /nfs/dbraw/zinc/90/62/56/962906256.db2.gz IBBQNTUSDBCSHZ-UHFFFAOYSA-N -1 0 327.377 2.549 20 30 EFEDRM C=C(Cl)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C(C)(C)C ZINC001573343905 962909259 /nfs/dbraw/zinc/90/92/59/962909259.db2.gz LGQUTKXASQTEKL-UHFFFAOYSA-N -1 0 326.828 2.629 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001526766661 962909655 /nfs/dbraw/zinc/90/96/55/962909655.db2.gz RXDSRMLQWQSSAN-DZGCQCFKSA-N -1 0 334.416 2.758 20 30 EFEDRM C=C(Cn1c(C)nnc1N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001573343942 962911789 /nfs/dbraw/zinc/91/17/89/962911789.db2.gz MPJMYINSVUVLEH-INIZCTEOSA-N -1 0 326.400 2.601 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CC)C(=O)[O-])s1 ZINC001573344395 962917889 /nfs/dbraw/zinc/91/78/89/962917889.db2.gz VVPPPMVWBZYXQQ-VIFPVBQESA-N -1 0 348.877 2.818 20 30 EFEDRM COc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C#N ZINC001574217381 962945507 /nfs/dbraw/zinc/94/55/07/962945507.db2.gz RMCYGDRCMVKZTJ-UHFFFAOYSA-N -1 0 331.372 2.676 20 30 EFEDRM C=CC(C)(C)CCNC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001573347557 962948672 /nfs/dbraw/zinc/94/86/72/962948672.db2.gz LQAAMIJUUILNFP-UHFFFAOYSA-N -1 0 334.416 2.837 20 30 EFEDRM C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573350397 962967973 /nfs/dbraw/zinc/96/79/73/962967973.db2.gz HPGMWXKCOCIXSN-AWEZNQCLSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001573350889 962973767 /nfs/dbraw/zinc/97/37/67/962973767.db2.gz NJMCUOYNGULQRY-INIZCTEOSA-N -1 0 345.420 2.851 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)C(=O)[O-] ZINC001573356555 963007785 /nfs/dbraw/zinc/00/77/85/963007785.db2.gz DIJFBFVCZKPSJF-LBPRGKRZSA-N -1 0 337.420 2.616 20 30 EFEDRM C=CCCOCCCCC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001573360107 963032011 /nfs/dbraw/zinc/03/20/11/963032011.db2.gz HGQVHDMFKFBNDZ-CQSZACIVSA-N -1 0 337.338 2.615 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])cc1 ZINC001573360489 963038486 /nfs/dbraw/zinc/03/84/86/963038486.db2.gz QJDURBIVBCGVDO-HNNXBMFYSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)nn1 ZINC001573360582 963039399 /nfs/dbraw/zinc/03/93/99/963039399.db2.gz SINSIRCREPAZHE-UHFFFAOYSA-N -1 0 336.351 2.958 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2cc(O)ccc2nc1C)C(=O)[O-] ZINC001573366447 963060225 /nfs/dbraw/zinc/06/02/25/963060225.db2.gz MJHZMYOYGJQQPJ-INIZCTEOSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2)C(=O)[O-] ZINC001573366709 963060999 /nfs/dbraw/zinc/06/09/99/963060999.db2.gz PAAXOPRLALQVLH-MLGOLLRUSA-N -1 0 346.427 2.841 20 30 EFEDRM C=CC[N@@H+](CCc1ccco1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001573368678 963085042 /nfs/dbraw/zinc/08/50/42/963085042.db2.gz PAUCWWCSVAVHIU-UHFFFAOYSA-N -1 0 343.379 2.995 20 30 EFEDRM CC[C@@H](CC#N)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315798199 963936354 /nfs/dbraw/zinc/93/63/54/963936354.db2.gz IDPCKMADNLRCCM-VIFPVBQESA-N -1 0 338.410 2.570 20 30 EFEDRM C#CCCCCNC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588441559 964052101 /nfs/dbraw/zinc/05/21/01/964052101.db2.gz IJYREPGBYDSWMN-UHFFFAOYSA-N -1 0 335.429 2.534 20 30 EFEDRM C#CCCCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588442756 964058620 /nfs/dbraw/zinc/05/86/20/964058620.db2.gz WXYWVBZPZWDTDL-JKSUJKDBSA-N -1 0 348.830 2.953 20 30 EFEDRM C#CCCCCNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588442670 964058903 /nfs/dbraw/zinc/05/89/03/964058903.db2.gz VRMHBICTJBFRCT-MRXNPFEDSA-N -1 0 328.412 2.907 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)CC2(C#N)CC2)cc1C(=O)[O-] ZINC001573440926 964073169 /nfs/dbraw/zinc/07/31/69/964073169.db2.gz KPPUWGSPXXPIDJ-UHFFFAOYSA-N -1 0 335.747 2.629 20 30 EFEDRM C#CCCCNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588446733 964077524 /nfs/dbraw/zinc/07/75/24/964077524.db2.gz XPUPXTAEWKVFRD-LBPRGKRZSA-N -1 0 328.290 2.701 20 30 EFEDRM C#CCCN(Cn1nc(C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC001588447846 964092055 /nfs/dbraw/zinc/09/20/55/964092055.db2.gz QRRFWWQAWMAZEN-UHFFFAOYSA-N -1 0 325.290 2.580 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)[C@H](CC)C(=O)[O-])cc1OC ZINC000846714844 969256960 /nfs/dbraw/zinc/25/69/60/969256960.db2.gz PVGFMFMFEVDCAM-QSYFUGGGSA-N -1 0 333.384 2.595 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000853094993 969305770 /nfs/dbraw/zinc/30/57/70/969305770.db2.gz QXCIQCSKNLZMIC-WCQYABFASA-N -1 0 331.372 2.600 20 30 EFEDRM CSc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000898869613 969417147 /nfs/dbraw/zinc/41/71/47/969417147.db2.gz IYRSHELANYLIFN-BXUZGUMPSA-N -1 0 347.440 2.532 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc21 ZINC000899318698 969421689 /nfs/dbraw/zinc/42/16/89/969421689.db2.gz WRPALOZISMUHDG-UHFFFAOYSA-N -1 0 342.399 2.987 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901755635 969471320 /nfs/dbraw/zinc/47/13/20/969471320.db2.gz UUKWKIYFSLSPHF-HUUCEWRRSA-N -1 0 335.375 2.610 20 30 EFEDRM C[C@@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024978 969508718 /nfs/dbraw/zinc/50/87/18/969508718.db2.gz CFLKVYSZRDKUKD-RFYPCTPVSA-N -1 0 332.444 2.958 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC001609623985 970424386 /nfs/dbraw/zinc/42/43/86/970424386.db2.gz REPYVSOMSVAIKT-MRXNPFEDSA-N -1 0 326.327 2.949 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001609691391 970448190 /nfs/dbraw/zinc/44/81/90/970448190.db2.gz LVRHXCBJPXTQNP-QGZVFWFLSA-N -1 0 330.359 2.989 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC001609691532 970449066 /nfs/dbraw/zinc/44/90/66/970449066.db2.gz UCRCUHOLGRBCNV-DSSZZKGTSA-N -1 0 338.766 2.788 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603290447 972546380 /nfs/dbraw/zinc/54/63/80/972546380.db2.gz MNCUAUVSKSWEJM-LSDHHAIUSA-N -1 0 327.384 2.635 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCCOc1cccc(C#N)c1 ZINC001605005111 972611033 /nfs/dbraw/zinc/61/10/33/972611033.db2.gz WSLQVJHMWYINEV-CZUORRHYSA-N -1 0 330.384 2.571 20 30 EFEDRM Cc1c(C#N)c(NC(=O)c2ccc(OCC(=O)[O-])cc2)n2ccccc12 ZINC001605074661 972701659 /nfs/dbraw/zinc/70/16/59/972701659.db2.gz WBKXIQUGGBQWAG-UHFFFAOYSA-N -1 0 349.346 2.835 20 30 EFEDRM Cc1cc(F)ccc1C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC001605179670 972896180 /nfs/dbraw/zinc/89/61/80/972896180.db2.gz RQCIBSREBYWBJU-GOSISDBHSA-N -1 0 332.375 2.845 20 30 EFEDRM C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC001603438592 973206476 /nfs/dbraw/zinc/20/64/76/973206476.db2.gz CIFWNGYTGKSLCQ-IAQYHMDHSA-N -1 0 332.375 2.544 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC001604461935 973307861 /nfs/dbraw/zinc/30/78/61/973307861.db2.gz NBARQNSBEQXKIO-LGZSNQIQSA-N -1 0 336.413 2.734 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 ZINC001603593209 973799263 /nfs/dbraw/zinc/79/92/63/973799263.db2.gz DBGCDGCSAMHISQ-OTIVFRFGSA-N -1 0 333.359 2.511 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC001603600488 973839399 /nfs/dbraw/zinc/83/93/99/973839399.db2.gz KGCQRZQKHMAKRA-QGZVFWFLSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CC[C@@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1 ZINC001605582240 973864001 /nfs/dbraw/zinc/86/40/01/973864001.db2.gz WKRDDEJRRQRCPV-INIZCTEOSA-N -1 0 344.411 2.556 20 30 EFEDRM N#CC1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCCC1 ZINC001605583543 973872999 /nfs/dbraw/zinc/87/29/99/973872999.db2.gz VJCYHMBAGWXSGL-CQSZACIVSA-N -1 0 331.416 2.754 20 30 EFEDRM N#CCCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001605585905 973879027 /nfs/dbraw/zinc/87/90/27/973879027.db2.gz LSOGTKLFRSVKMQ-KRWDZBQOSA-N -1 0 337.379 2.960 20 30 EFEDRM N#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001605585937 973879454 /nfs/dbraw/zinc/87/94/54/973879454.db2.gz NIVNQPMKAJNHMY-HNNXBMFYSA-N -1 0 325.324 2.536 20 30 EFEDRM N#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605586477 973882181 /nfs/dbraw/zinc/88/21/81/973882181.db2.gz XPCIQXXCWRVPIY-HNNXBMFYSA-N -1 0 343.314 2.675 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605590396 973882953 /nfs/dbraw/zinc/88/29/53/973882953.db2.gz CWQLLRGSCOIJCY-HNNXBMFYSA-N -1 0 337.310 2.734 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)NCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC001605592152 973895204 /nfs/dbraw/zinc/89/52/04/973895204.db2.gz YPFJSPWVASEYBA-UHFFFAOYSA-N -1 0 327.167 2.850 20 30 EFEDRM N#CCSc1cccc(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001605601582 973905906 /nfs/dbraw/zinc/90/59/06/973905906.db2.gz UQYLEKGWLZZNMC-UHFFFAOYSA-N -1 0 326.377 2.930 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601585 973905922 /nfs/dbraw/zinc/90/59/22/973905922.db2.gz VHCXGTJFUXJTRR-GJZGRUSLSA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001605602016 973909245 /nfs/dbraw/zinc/90/92/45/973909245.db2.gz KQFGCCBJJKQPIO-MRXNPFEDSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)s1 ZINC001605611080 973913324 /nfs/dbraw/zinc/91/33/24/973913324.db2.gz BZJIQPLPJMUZSV-GFCCVEGCSA-N -1 0 345.424 2.804 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])on2)c1 ZINC001605612064 973924680 /nfs/dbraw/zinc/92/46/80/973924680.db2.gz JCZORPJJQNMUDI-CQSZACIVSA-N -1 0 339.351 2.683 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c3ccccc31)C2 ZINC001605612532 973927093 /nfs/dbraw/zinc/92/70/93/973927093.db2.gz PPEOKIBGZHOHJK-MSOLQXFVSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001605617428 973932257 /nfs/dbraw/zinc/93/22/57/973932257.db2.gz CLJUVELWQYAVGQ-ZWKOTPCHSA-N -1 0 349.390 2.568 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)NCCCCC(=O)[O-])C(F)(F)F)c1 ZINC001605617493 973932986 /nfs/dbraw/zinc/93/29/86/973932986.db2.gz HYOWQJZVPBEDPE-CYBMUJFWSA-N -1 0 343.305 2.716 20 30 EFEDRM O=C([O-])c1ccnc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001605660473 974061617 /nfs/dbraw/zinc/06/16/17/974061617.db2.gz OYUOZEZUXJNFJX-UHFFFAOYSA-N -1 0 334.253 2.789 20 30 EFEDRM CCOc1cccc(/C=N/C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1O ZINC001603875721 974377110 /nfs/dbraw/zinc/37/71/10/974377110.db2.gz LDSQHNSDHKRZAK-KTJRXONRSA-N -1 0 333.384 2.622 20 30 EFEDRM C=CCN(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000586162425 974964462 /nfs/dbraw/zinc/96/44/62/974964462.db2.gz KVLALGMXCAOFPN-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H](C#N)C1 ZINC001591763353 975868067 /nfs/dbraw/zinc/86/80/67/975868067.db2.gz PZEYNPGPUDQEAD-GFCCVEGCSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cccc(C#N)n2)c(C(=O)[O-])c1 ZINC001591787858 975964829 /nfs/dbraw/zinc/96/48/29/975964829.db2.gz FZNUYPHUZJVKQA-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ccc(NC(=S)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591788346 975971408 /nfs/dbraw/zinc/97/14/08/975971408.db2.gz CLSGCXUFNBBLAN-UHFFFAOYSA-N -1 0 347.440 2.861 20 30 EFEDRM CC(C)c1cc([C@H]2CCCN(c3ccc(C(=O)[O-])nc3C#N)C2)n[nH]1 ZINC001591930882 976428912 /nfs/dbraw/zinc/42/89/12/976428912.db2.gz DNRRPQQJPCYJQA-LBPRGKRZSA-N -1 0 339.399 2.882 20 30 EFEDRM CC(C)c1ccc(-c2noc(CN(CC#N)CCC(=O)[O-])n2)cc1 ZINC001591943677 976481968 /nfs/dbraw/zinc/48/19/68/976481968.db2.gz PMIRIYWBKUVRNW-UHFFFAOYSA-N -1 0 328.372 2.660 20 30 EFEDRM C[C@@H](CC#N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001592212104 977266145 /nfs/dbraw/zinc/26/61/45/977266145.db2.gz PLDMLWHKNCMNNV-JTQLQIEISA-N -1 0 329.381 2.925 20 30 EFEDRM C[C@@H](CC#N)N(C)Cc1cccc(C(=O)[O-])c1CN(C)[C@@H](C)CC#N ZINC001592222536 977408373 /nfs/dbraw/zinc/40/83/73/977408373.db2.gz YBQYEEYDNIOQDN-GJZGRUSLSA-N -1 0 342.443 2.853 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001592226260 977417238 /nfs/dbraw/zinc/41/72/38/977417238.db2.gz VSDYUULFGVWABH-UUIJZJDISA-N -1 0 345.424 2.875 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1N[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001592226472 977419689 /nfs/dbraw/zinc/41/96/89/977419689.db2.gz ZAYNSGDXYQPAAF-OCCSQVGLSA-N -1 0 347.440 2.568 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)C#Cc1ccccc1)c1cccc(F)c1 ZINC001592277604 977555563 /nfs/dbraw/zinc/55/55/63/977555563.db2.gz DPGAMPDYGKYRIA-LJQANCHMSA-N -1 0 325.339 2.684 20 30 EFEDRM N#Cc1ccc(Br)cc1N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000713528141 977644210 /nfs/dbraw/zinc/64/42/10/977644210.db2.gz PCBUUZHOVOMLNS-JTQLQIEISA-N -1 0 331.116 2.619 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC001592304083 977661757 /nfs/dbraw/zinc/66/17/57/977661757.db2.gz JFDWEOUTTFVYHJ-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccn1 ZINC001592304719 977667085 /nfs/dbraw/zinc/66/70/85/977667085.db2.gz PHRKJYKENAEPIU-IBGZPJMESA-N -1 0 349.390 2.757 20 30 EFEDRM CCN(CC(=O)[O-])C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000737076056 978377865 /nfs/dbraw/zinc/37/78/65/978377865.db2.gz NPPDCSNYSCALBS-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM Cc1[nH]c(C(=O)OCc2ccc(OCC#N)cc2)c(C)c1C(=O)[O-] ZINC000738166974 978492440 /nfs/dbraw/zinc/49/24/40/978492440.db2.gz HNUMLZKHGCDJLQ-UHFFFAOYSA-N -1 0 328.324 2.589 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001592602709 978541813 /nfs/dbraw/zinc/54/18/13/978541813.db2.gz YDEHUXVLPUBNAA-OAHLLOKOSA-N -1 0 336.391 2.850 20 30 EFEDRM CC(CN1Cc2ccccc2C1=O)N=Nc1ccc(CC(=O)[O-])cc1 ZINC001592623749 978595545 /nfs/dbraw/zinc/59/55/45/978595545.db2.gz DEJDEIHTRHNKSB-UHFFFAOYSA-N -1 0 337.379 2.758 20 30 EFEDRM N#Cc1ccccc1Cn1cccc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000780235502 978784879 /nfs/dbraw/zinc/78/48/79/978784879.db2.gz HLWMNJCCZWYQRJ-UHFFFAOYSA-N -1 0 345.362 2.947 20 30 EFEDRM CC1(C)CCC[C@H]1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000782285104 978792324 /nfs/dbraw/zinc/79/23/24/978792324.db2.gz AQKMKVTYDDCHDX-CQSZACIVSA-N -1 0 335.360 2.560 20 30 EFEDRM Cc1nn(C)c(C=NNc2cccc(C(=O)[O-])c2)c1Br ZINC000790281883 978799312 /nfs/dbraw/zinc/79/93/12/978799312.db2.gz LVWPKRYTMUOQDX-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000793411957 978808193 /nfs/dbraw/zinc/80/81/93/978808193.db2.gz MXQRGRMCTKNMQA-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc1)C(=O)[O-] ZINC000794713761 978817486 /nfs/dbraw/zinc/81/74/86/978817486.db2.gz ONDSCHGTIXSELO-OUZNOSRWSA-N -1 0 334.331 2.903 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/COc3cc(F)ccc3C2=O)cc1 ZINC000794727775 978818413 /nfs/dbraw/zinc/81/84/13/978818413.db2.gz JPPWQBBEBRIJJZ-GHXNOFRVSA-N -1 0 328.295 2.948 20 30 EFEDRM CC(C)c1nccnc1N=NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794940645 978830916 /nfs/dbraw/zinc/83/09/16/978830916.db2.gz YCBVSYPIHUOFRZ-GFCCVEGCSA-N -1 0 328.372 2.898 20 30 EFEDRM Cn1cc(-c2ccc(CN=Nc3ccc(C(=O)[O-])cn3)s2)cn1 ZINC000800815341 978847478 /nfs/dbraw/zinc/84/74/78/978847478.db2.gz URKUBMYFGWLFCU-UHFFFAOYSA-N -1 0 327.369 2.688 20 30 EFEDRM C[C@@H]1C(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814730641 978877604 /nfs/dbraw/zinc/87/76/04/978877604.db2.gz QTECNZYVPBOICH-XQHKEYJVSA-N -1 0 325.478 2.906 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1NN=Cc1cccc(C(=O)[O-])c1 ZINC000814771133 978883810 /nfs/dbraw/zinc/88/38/10/978883810.db2.gz WATKBBVYHDXUAA-UHFFFAOYSA-N -1 0 336.351 2.561 20 30 EFEDRM COCc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)n1 ZINC000814977916 978900054 /nfs/dbraw/zinc/90/00/54/978900054.db2.gz HYEMRUZMQFTQGP-DTWKUNHWSA-N -1 0 326.784 2.565 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000818625913 978921316 /nfs/dbraw/zinc/92/13/16/978921316.db2.gz YLUBSSKMLRWUEW-CQSZACIVSA-N -1 0 347.415 2.668 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000820352718 978925618 /nfs/dbraw/zinc/92/56/18/978925618.db2.gz FKRVXPFCUIKOPL-GVXVVHGQSA-N -1 0 326.179 2.690 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000829951718 979010649 /nfs/dbraw/zinc/01/06/49/979010649.db2.gz OJGMGOSRPXULRN-CQSZACIVSA-N -1 0 331.409 2.841 20 30 EFEDRM CCCCCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000830081684 979012669 /nfs/dbraw/zinc/01/26/69/979012669.db2.gz UXADIQSGPZHADD-CQSZACIVSA-N -1 0 325.430 2.975 20 30 EFEDRM C[C@@](CNC(=O)Nc1ccc(CC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001592682017 979102227 /nfs/dbraw/zinc/10/22/27/979102227.db2.gz JBZXTORWMVZUGL-IBGZPJMESA-N -1 0 337.379 2.917 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595029804 979161316 /nfs/dbraw/zinc/16/13/16/979161316.db2.gz GNRGRPZUASHLCB-VIFPVBQESA-N -1 0 325.752 2.617 20 30 EFEDRM CC[C@H](CC#N)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595030363 979166752 /nfs/dbraw/zinc/16/67/52/979166752.db2.gz PCIJRNQPFNOADH-VXGBXAGGSA-N -1 0 343.305 2.980 20 30 EFEDRM C[C@@](CNc1ccc(C#N)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592728335 979236259 /nfs/dbraw/zinc/23/62/59/979236259.db2.gz ADIIJRGJZWISFR-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](CC)C(=O)[O-])cc1OC ZINC000844157810 979347742 /nfs/dbraw/zinc/34/77/42/979347742.db2.gz GNFGZDPBWXCMDB-RCQQVGEISA-N -1 0 333.384 2.500 20 30 EFEDRM C[C@](COC(=O)COc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001592762911 979360981 /nfs/dbraw/zinc/36/09/81/979360981.db2.gz BVTVPXDNHGAEDL-LJQANCHMSA-N -1 0 339.347 2.523 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000849332369 979492998 /nfs/dbraw/zinc/49/29/98/979492998.db2.gz NWLOBZNFKZWSPT-NSHDSACASA-N -1 0 327.377 2.501 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592833092 979567982 /nfs/dbraw/zinc/56/79/82/979567982.db2.gz ATAXLXCZWZSDRP-JNAXZKDPSA-N -1 0 340.423 2.840 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592833166 979569190 /nfs/dbraw/zinc/56/91/90/979569190.db2.gz CJXYHJDBNAVRNZ-KSSFIOAISA-N -1 0 337.375 2.976 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001592833649 979571808 /nfs/dbraw/zinc/57/18/08/979571808.db2.gz IFKFWOHSEIQQJL-RDTXWAMCSA-N -1 0 336.391 2.721 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cc(C(=O)[O-])n(C)c2)no1 ZINC001592833796 979572403 /nfs/dbraw/zinc/57/24/03/979572403.db2.gz JZKYJEGLIFQPQS-NSHDSACASA-N -1 0 336.351 2.991 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001592834297 979575375 /nfs/dbraw/zinc/57/53/75/979575375.db2.gz OXBFCKHBIUECEZ-RDBSUJKOSA-N -1 0 328.412 2.837 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001592834682 979578578 /nfs/dbraw/zinc/57/85/78/979578578.db2.gz UOQAZCODYBXKBZ-AUUYWEPGSA-N -1 0 348.402 2.947 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001592834770 979579279 /nfs/dbraw/zinc/57/92/79/979579279.db2.gz WMQNLBSBRQPEQY-CQSZACIVSA-N -1 0 336.391 2.680 20 30 EFEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1coc(C#N)c1)C(=O)[O-] ZINC001592839136 979596109 /nfs/dbraw/zinc/59/61/09/979596109.db2.gz DPLYOKGEBCHJNL-MRXNPFEDSA-N -1 0 332.743 2.620 20 30 EFEDRM O=C([O-])Cc1ccc(NN=Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000853370176 979605911 /nfs/dbraw/zinc/60/59/11/979605911.db2.gz FWRMTSSOQCAEME-GOSISDBHSA-N -1 0 340.379 2.927 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC001592848329 979629703 /nfs/dbraw/zinc/62/97/03/979629703.db2.gz OCJHBYYKJLLJKP-INIZCTEOSA-N -1 0 332.356 2.575 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC001592849020 979634578 /nfs/dbraw/zinc/63/45/78/979634578.db2.gz ZNLOPLQLQXFVKT-SFHVURJKSA-N -1 0 344.317 2.652 20 30 EFEDRM CC[C@H](CNc1c(C#N)cnc2c(OC)cc(OC)cc21)C(=O)[O-] ZINC001595172459 979741755 /nfs/dbraw/zinc/74/17/55/979741755.db2.gz FECOVHJHLBEDAL-SNVBAGLBSA-N -1 0 329.356 2.646 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC000864146123 979751351 /nfs/dbraw/zinc/75/13/51/979751351.db2.gz RKERSGWJEUJJGV-QGZVFWFLSA-N -1 0 327.380 2.544 20 30 EFEDRM C[C@H](Cc1ccccc1Cl)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592891423 979783400 /nfs/dbraw/zinc/78/34/00/979783400.db2.gz PHABEEFXZHDZBO-GFCCVEGCSA-N -1 0 349.818 2.671 20 30 EFEDRM CC[C@H](COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001595180936 979792999 /nfs/dbraw/zinc/79/29/99/979792999.db2.gz AIPSWIVVSNPDBE-CYBMUJFWSA-N -1 0 343.335 2.998 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000864187505 979834110 /nfs/dbraw/zinc/83/41/10/979834110.db2.gz MKCYMNPPJFQIOH-CQSZACIVSA-N -1 0 331.372 2.540 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](CC(=C)C)C(=O)[O-])cc1OC ZINC000864188922 979838377 /nfs/dbraw/zinc/83/83/77/979838377.db2.gz XTRANDYQVVPNAB-LOWQCSRCSA-N -1 0 345.395 2.809 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000864449571 979936102 /nfs/dbraw/zinc/93/61/02/979936102.db2.gz ORQGTRFOYJZKRB-VIFPVBQESA-N -1 0 338.212 2.691 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000871988292 980024126 /nfs/dbraw/zinc/02/41/26/980024126.db2.gz OAESRYXRJJNGSJ-BETUJISGSA-N -1 0 339.388 2.704 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC000872705441 980084232 /nfs/dbraw/zinc/08/42/32/980084232.db2.gz XEKNWXBJJPWECI-DLBZAZTESA-N -1 0 331.412 2.656 20 30 EFEDRM C[C@](NC(=O)C#CC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001592969623 980100626 /nfs/dbraw/zinc/10/06/26/980100626.db2.gz VFNFURLJMDPDAE-OAHLLOKOSA-N -1 0 326.179 2.823 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC3(CC(=O)[O-])CCC3)cc21 ZINC000899316585 980226848 /nfs/dbraw/zinc/22/68/48/980226848.db2.gz GLUPHNNNABCDMX-UHFFFAOYSA-N -1 0 328.372 2.741 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc21 ZINC000899317392 980227825 /nfs/dbraw/zinc/22/78/25/980227825.db2.gz LECGIZCQMLJZDK-YPMHNXCESA-N -1 0 328.372 2.597 20 30 EFEDRM C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593011053 980245082 /nfs/dbraw/zinc/24/50/82/980245082.db2.gz LZZQLRWNGMZKOZ-FGEFZZPRSA-N -1 0 327.365 2.604 20 30 EFEDRM C[C@H](NC(=O)CC#Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593011270 980245980 /nfs/dbraw/zinc/24/59/80/980245980.db2.gz OSSSBXWNFRGYSR-QFBILLFUSA-N -1 0 335.403 2.876 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000900399788 980251911 /nfs/dbraw/zinc/25/19/11/980251911.db2.gz FMWCESHSAAUPHK-UONOGXRCSA-N -1 0 343.333 2.932 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)n1 ZINC000901313410 980260523 /nfs/dbraw/zinc/26/05/23/980260523.db2.gz ICVGQNRVTBAWQY-UWVGGRQHSA-N -1 0 340.811 2.955 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)cc1OC)(C(=O)[O-])c1ccccc1 ZINC001595265902 980279256 /nfs/dbraw/zinc/27/92/56/980279256.db2.gz KFPLXTJKWSCRAO-LJQANCHMSA-N -1 0 338.363 2.687 20 30 EFEDRM C=CCOC[C@H](NCc1cnc(-c2ccc(C)cc2)s1)C(=O)[O-] ZINC000901810837 980531609 /nfs/dbraw/zinc/53/16/09/980531609.db2.gz NTGSTORDDZAFFS-HNNXBMFYSA-N -1 0 332.425 2.864 20 30 EFEDRM CC[C@]1(CNc2ccc(C(=O)[O-])nc2C#N)OCCc2ccccc21 ZINC001595379773 980920390 /nfs/dbraw/zinc/92/03/90/980920390.db2.gz UPIRGLAVHLGUOZ-LJQANCHMSA-N -1 0 337.379 2.942 20 30 EFEDRM CCC1CCC(NC(=O)c2ccc(C#N)cc2OC)(C(=O)[O-])CC1 ZINC001595424674 981043055 /nfs/dbraw/zinc/04/30/55/981043055.db2.gz JNCMWRKTQCIHFJ-UHFFFAOYSA-N -1 0 330.384 2.720 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000905075749 981088609 /nfs/dbraw/zinc/08/86/09/981088609.db2.gz ZGDLXANZOIAYOJ-UTSBKAFOSA-N -1 0 340.379 2.967 20 30 EFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000905075748 981088646 /nfs/dbraw/zinc/08/86/46/981088646.db2.gz ZGDLXANZOIAYOJ-SZNGSJQDSA-N -1 0 340.379 2.967 20 30 EFEDRM CCC[C@](C)(NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001595552872 981425250 /nfs/dbraw/zinc/42/52/50/981425250.db2.gz ASSCAVFGYNUAAF-AWEZNQCLSA-N -1 0 339.189 2.694 20 30 EFEDRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595622975 981715630 /nfs/dbraw/zinc/71/56/30/981715630.db2.gz ZBAPYBFJXFALKO-HUUCEWRRSA-N -1 0 335.448 2.993 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001594778434 981776501 /nfs/dbraw/zinc/77/65/01/981776501.db2.gz RTDLZJYLAPELLP-HNNXBMFYSA-N -1 0 325.748 2.900 20 30 EFEDRM CC[C@](C)(C#N)C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001594778435 981776509 /nfs/dbraw/zinc/77/65/09/981776509.db2.gz RTDLZJYLAPELLP-OAHLLOKOSA-N -1 0 325.748 2.900 20 30 EFEDRM CCCC[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001595637085 981926469 /nfs/dbraw/zinc/92/64/69/981926469.db2.gz OMVCFOWLPIJNCJ-LLVKDONJSA-N -1 0 339.189 2.694 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595704285 982273550 /nfs/dbraw/zinc/27/35/50/982273550.db2.gz CCEBUZRVASJHAK-UHFFFAOYSA-N -1 0 335.372 2.912 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595705410 982285228 /nfs/dbraw/zinc/28/52/28/982285228.db2.gz YZPVBOMNKBGFHA-LSDHHAIUSA-N -1 0 340.464 2.517 20 30 EFEDRM CCCCCCCS(=O)(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595709342 982292242 /nfs/dbraw/zinc/29/22/42/982292242.db2.gz ZZYXKBKXHJNMRH-UHFFFAOYSA-N -1 0 345.373 2.972 20 30 EFEDRM CC[C@H](C)[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001594927368 982524841 /nfs/dbraw/zinc/52/48/41/982524841.db2.gz SXWSJMRVMDIMON-OIBJUYFYSA-N -1 0 330.262 2.628 20 30 EFEDRM CC[C@@H](C)C[C@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001594945987 982637463 /nfs/dbraw/zinc/63/74/63/982637463.db2.gz UOTKZYQKGNMEBH-OCCSQVGLSA-N -1 0 327.384 2.784 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923082344 982712159 /nfs/dbraw/zinc/71/21/59/982712159.db2.gz QHXNJLGHFBHYMK-ORAYPTAESA-N -1 0 342.395 2.801 20 30 EFEDRM N#C[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC12CCCC2 ZINC000923083323 982713167 /nfs/dbraw/zinc/71/31/67/982713167.db2.gz ZYFWJNVJUODFRA-YRNRMSPPSA-N -1 0 338.407 2.787 20 30 EFEDRM N#CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCC1 ZINC000923084372 982714274 /nfs/dbraw/zinc/71/42/74/982714274.db2.gz XLZUUVLFCBZWNR-HZPDHXFCSA-N -1 0 326.396 2.787 20 30 EFEDRM Cc1c(NC(=O)C(C)(C)C#N)cc(Br)cc1C(=O)[O-] ZINC000923097215 982721608 /nfs/dbraw/zinc/72/16/08/982721608.db2.gz BPERADNDFLWWMG-UHFFFAOYSA-N -1 0 325.162 2.944 20 30 EFEDRM N#CC1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000923105410 982727815 /nfs/dbraw/zinc/72/78/15/982727815.db2.gz APJFSGQGOUUWQR-LLVKDONJSA-N -1 0 333.413 2.631 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000923113418 982732482 /nfs/dbraw/zinc/73/24/82/982732482.db2.gz TUBLQHOMCKEKKS-AWEZNQCLSA-N -1 0 343.427 2.752 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985369 982799899 /nfs/dbraw/zinc/79/98/99/982799899.db2.gz OGLHFHZBQPIBJU-PSLIRLAXSA-N -1 0 331.347 2.921 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595886064 982914393 /nfs/dbraw/zinc/91/43/93/982914393.db2.gz VSFDRRLHCSOQEF-UHFFFAOYSA-N -1 0 325.368 2.647 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001588368649 983306915 /nfs/dbraw/zinc/30/69/15/983306915.db2.gz PXNWEKZLRRDBAA-MRVPVSSYSA-N -1 0 325.162 2.633 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001588369296 983313105 /nfs/dbraw/zinc/31/31/05/983313105.db2.gz HUNUGURMMRVPMC-OAHLLOKOSA-N -1 0 339.347 2.927 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001588369865 983317788 /nfs/dbraw/zinc/31/77/88/983317788.db2.gz ZDHWFYGBTUYBPZ-LBPRGKRZSA-N -1 0 329.308 2.520 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588372106 983328010 /nfs/dbraw/zinc/32/80/10/983328010.db2.gz DEMAJZATQWFCPC-JQWIXIFHSA-N -1 0 329.381 2.576 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588372107 983328061 /nfs/dbraw/zinc/32/80/61/983328061.db2.gz DEMAJZATQWFCPC-PWSUYJOCSA-N -1 0 329.381 2.576 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372079 983328181 /nfs/dbraw/zinc/32/81/81/983328181.db2.gz CMSIKIKNUOQLRI-CABCVRRESA-N -1 0 346.814 2.911 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001588372796 983334135 /nfs/dbraw/zinc/33/41/35/983334135.db2.gz SVTSLDQRXMFYQG-WBVHZDCISA-N -1 0 328.412 2.762 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C(C)(C)C ZINC001588373526 983338603 /nfs/dbraw/zinc/33/86/03/983338603.db2.gz GSMIPVKDSVTNRI-JOYOIKCWSA-N -1 0 335.429 2.502 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588373423 983338657 /nfs/dbraw/zinc/33/86/57/983338657.db2.gz FZKKBGXICFBFGB-CQSZACIVSA-N -1 0 330.315 2.599 20 30 EFEDRM C#C[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588374343 983343210 /nfs/dbraw/zinc/34/32/10/983343210.db2.gz UUEFIPBTWPXYPF-ZDUSSCGKSA-N -1 0 331.755 2.973 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588375545 983345130 /nfs/dbraw/zinc/34/51/30/983345130.db2.gz BDRUXBLPUXHSRR-HNNXBMFYSA-N -1 0 349.795 2.691 20 30 EFEDRM C#CC1(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCCC1 ZINC001588379326 983363426 /nfs/dbraw/zinc/36/34/26/983363426.db2.gz DGWFIVPIWDVBPB-UHFFFAOYSA-N -1 0 331.328 2.669 20 30 EFEDRM C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588382043 983367983 /nfs/dbraw/zinc/36/79/83/983367983.db2.gz DQOLFAQKNNZDFJ-CYBMUJFWSA-N -1 0 343.404 2.714 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC(C)C ZINC001588389951 983390035 /nfs/dbraw/zinc/39/00/35/983390035.db2.gz GPYFUWMWUPAHMP-HUUCEWRRSA-N -1 0 346.475 2.782 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1CC=C ZINC001588390530 983394883 /nfs/dbraw/zinc/39/48/83/983394883.db2.gz XBWJLAJCYQUWED-CWRNSKLLSA-N -1 0 342.443 2.528 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588393438 983398053 /nfs/dbraw/zinc/39/80/53/983398053.db2.gz BQAQGALXWZDHDR-SFHVURJKSA-N -1 0 336.391 2.819 20 30 EFEDRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001596082506 983401045 /nfs/dbraw/zinc/40/10/45/983401045.db2.gz ZLCIPAOZFXKQAB-OAHLLOKOSA-N -1 0 328.324 2.790 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588399962 983417539 /nfs/dbraw/zinc/41/75/39/983417539.db2.gz ZPDKBMMAUMWJRJ-JATZPVMKSA-N -1 0 329.249 2.609 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001588408056 983430119 /nfs/dbraw/zinc/43/01/19/983430119.db2.gz WCSZXEGFAVPUGA-KBXCAEBGSA-N -1 0 337.375 2.714 20 30 EFEDRM C#CC[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588408021 983430355 /nfs/dbraw/zinc/43/03/55/983430355.db2.gz VFNIQKNZALIDQN-DGCLKSJQSA-N -1 0 343.408 2.966 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(Br)c(CCC)s1)C(=O)[O-] ZINC001588414413 983434140 /nfs/dbraw/zinc/43/41/40/983434140.db2.gz SLWRNOLTBNNHFT-VIFPVBQESA-N -1 0 344.230 2.669 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001588416902 983437964 /nfs/dbraw/zinc/43/79/64/983437964.db2.gz SKQMGEDOFWEOOC-OAHLLOKOSA-N -1 0 334.331 2.557 20 30 EFEDRM CCCn1cc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001596113517 983443253 /nfs/dbraw/zinc/44/32/53/983443253.db2.gz MUYLCOMDEQLBPR-UHFFFAOYSA-N -1 0 326.352 2.508 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)CCCCC1 ZINC001588428010 983459321 /nfs/dbraw/zinc/45/93/21/983459321.db2.gz WTEILIBTXNUPSF-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)CCC1 ZINC001588430698 983463809 /nfs/dbraw/zinc/46/38/09/983463809.db2.gz BQWIIRURZYCRLT-UHFFFAOYSA-N -1 0 343.404 2.762 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001588432069 983467252 /nfs/dbraw/zinc/46/72/52/983467252.db2.gz WPNLNEKCIKIXMG-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001588455085 983478407 /nfs/dbraw/zinc/47/84/07/983478407.db2.gz CHVONLPDFFUZHV-HNNXBMFYSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001588455252 983479081 /nfs/dbraw/zinc/47/90/81/983479081.db2.gz IVUOZFZJANNTEX-UHFFFAOYSA-N -1 0 329.396 2.854 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588455562 983480269 /nfs/dbraw/zinc/48/02/69/983480269.db2.gz PWDVCHAAXYFSNJ-LLVKDONJSA-N -1 0 344.392 2.734 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001588455970 983481245 /nfs/dbraw/zinc/48/12/45/983481245.db2.gz XSQIGIKDKXJRDE-UHFFFAOYSA-N -1 0 349.386 2.985 20 30 EFEDRM CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596137918 983487918 /nfs/dbraw/zinc/48/79/18/983487918.db2.gz WKANEXNCRUTIMV-RRQGHBQHSA-N -1 0 344.411 2.738 20 30 EFEDRM C#CCN(C(C)C)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588461082 983489070 /nfs/dbraw/zinc/48/90/70/983489070.db2.gz FLKMXEBFJUGNEX-UHFFFAOYSA-N -1 0 331.393 2.570 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)CC1CC1 ZINC001588465846 983497082 /nfs/dbraw/zinc/49/70/82/983497082.db2.gz KEGSIIZLDMUPFU-UHFFFAOYSA-N -1 0 346.452 2.609 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588465930 983497496 /nfs/dbraw/zinc/49/74/96/983497496.db2.gz NSSRPPIEXOEWGA-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588468223 983500369 /nfs/dbraw/zinc/50/03/69/983500369.db2.gz RYRLJKLCHVFRIY-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588470022 983504647 /nfs/dbraw/zinc/50/46/47/983504647.db2.gz ZILIMGVDYPBWMQ-GFCCVEGCSA-N -1 0 343.408 2.747 20 30 EFEDRM C#CCO[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588490093 983530597 /nfs/dbraw/zinc/53/05/97/983530597.db2.gz HCWINPHACHITBF-RNCFNFMXSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001588497356 983537935 /nfs/dbraw/zinc/53/79/35/983537935.db2.gz AHNGEZSOGVOGAM-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM CCN(C(=O)c1cncc(C(=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC001596173139 983538763 /nfs/dbraw/zinc/53/87/63/983538763.db2.gz PAPJRVSRXSARET-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM C#CCOc1ccc(CNC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)cc1 ZINC001588497449 983539141 /nfs/dbraw/zinc/53/91/41/983539141.db2.gz HNCFERSQHTVEQE-UHFFFAOYSA-N -1 0 340.379 2.526 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001588504377 983547362 /nfs/dbraw/zinc/54/73/62/983547362.db2.gz UFMOHFOIWATCDW-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#CCSCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588506060 983550638 /nfs/dbraw/zinc/55/06/38/983550638.db2.gz GOYYJOPGWSKXMY-HNNXBMFYSA-N -1 0 325.817 2.513 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001588510904 983557726 /nfs/dbraw/zinc/55/77/26/983557726.db2.gz OCYADNASYUMDRE-GOSISDBHSA-N -1 0 330.343 2.772 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001588511378 983559242 /nfs/dbraw/zinc/55/92/42/983559242.db2.gz VYLICZOXKMNHTE-UHFFFAOYSA-N -1 0 335.319 2.727 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001588511521 983559898 /nfs/dbraw/zinc/55/98/98/983559898.db2.gz XXMRIRWNVCGWLT-RBZFPXEDSA-N -1 0 334.375 2.670 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588524215 983574070 /nfs/dbraw/zinc/57/40/70/983574070.db2.gz CKLRLZGXSYIBOF-FQEVSTJZSA-N -1 0 339.366 2.856 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001588524349 983574536 /nfs/dbraw/zinc/57/45/36/983574536.db2.gz FQSSSNWVEXXQBG-UHFFFAOYSA-N -1 0 325.339 2.857 20 30 EFEDRM C#Cc1cccnc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588528541 983577158 /nfs/dbraw/zinc/57/71/58/983577158.db2.gz AGGSKJLIBOOUGL-UHFFFAOYSA-N -1 0 327.409 2.677 20 30 EFEDRM C#Cc1ccccc1CC(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588528716 983577814 /nfs/dbraw/zinc/57/78/14/983577814.db2.gz FHCFPWYJBSXUAX-KRWDZBQOSA-N -1 0 326.323 2.589 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588535680 983590282 /nfs/dbraw/zinc/59/02/82/983590282.db2.gz KIRAYWNEXNKEJO-RHSMWYFYSA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001588536707 983595480 /nfs/dbraw/zinc/59/54/80/983595480.db2.gz CZGDEVSUXORKIU-NRUUGDAUSA-N -1 0 327.302 2.743 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588536860 983596278 /nfs/dbraw/zinc/59/62/78/983596278.db2.gz VAHNMXLUSJMBGX-XLNGHYISSA-N -1 0 344.411 2.977 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588543195 983611050 /nfs/dbraw/zinc/61/10/50/983611050.db2.gz YCXZWKLRJCCVIL-FZMZJTMJSA-N -1 0 347.440 2.893 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588543197 983611092 /nfs/dbraw/zinc/61/10/92/983611092.db2.gz YCXZWKLRJCCVIL-RISCZKNCSA-N -1 0 347.440 2.893 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2c[nH]c3ccccc32)n[nH]1)C(=O)[O-] ZINC001588543298 983611223 /nfs/dbraw/zinc/61/12/23/983611223.db2.gz FMWUKBGOBDUHML-INIZCTEOSA-N -1 0 338.367 2.707 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588543558 983611992 /nfs/dbraw/zinc/61/19/92/983611992.db2.gz KPXQZTZBEOAKEQ-LLVKDONJSA-N -1 0 326.736 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)[O-] ZINC001588546671 983616192 /nfs/dbraw/zinc/61/61/92/983616192.db2.gz PHGIFSCDQMACLC-INIZCTEOSA-N -1 0 340.379 2.906 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001588547194 983618547 /nfs/dbraw/zinc/61/85/47/983618547.db2.gz HOPSAWQIDGRZBW-VIFPVBQESA-N -1 0 336.697 2.903 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)C(=O)[O-] ZINC001588547453 983620404 /nfs/dbraw/zinc/62/04/04/983620404.db2.gz KBBKPYDYWJJNCO-ZDUSSCGKSA-N -1 0 349.337 2.608 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588547696 983621081 /nfs/dbraw/zinc/62/10/81/983621081.db2.gz GIKOKAIVDSXTNV-AWEZNQCLSA-N -1 0 345.786 2.946 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(SC)c(C(=O)[O-])c1 ZINC001596229640 983621654 /nfs/dbraw/zinc/62/16/54/983621654.db2.gz DQYHISHIHXBMTC-LLVKDONJSA-N -1 0 335.429 2.527 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1C)C(=O)[O-] ZINC001588548261 983623633 /nfs/dbraw/zinc/62/36/33/983623633.db2.gz PDCMPUPCKRKWGU-HNNXBMFYSA-N -1 0 325.368 2.601 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001596230156 983624212 /nfs/dbraw/zinc/62/42/12/983624212.db2.gz SVBPIURAZVPLFU-VIFPVBQESA-N -1 0 341.770 2.597 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001596231910 983627454 /nfs/dbraw/zinc/62/74/54/983627454.db2.gz XGHRPBWUCNMHJK-GFCCVEGCSA-N -1 0 346.408 2.708 20 30 EFEDRM C=C(C)C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588555080 983632990 /nfs/dbraw/zinc/63/29/90/983632990.db2.gz YJMCAHZABGHRSO-NSHDSACASA-N -1 0 337.319 2.811 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588563148 983644254 /nfs/dbraw/zinc/64/42/54/983644254.db2.gz MXCAYSVFDDHYIB-UHFFFAOYSA-N -1 0 348.399 2.535 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC/C=C(/C)C(=O)[O-] ZINC001588567064 983645970 /nfs/dbraw/zinc/64/59/70/983645970.db2.gz AOJQFTNXHZNEJY-NSIKDUERSA-N -1 0 334.420 2.583 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588567566 983647304 /nfs/dbraw/zinc/64/73/04/983647304.db2.gz NCDZXMHXZNCIRI-UHFFFAOYSA-N -1 0 343.379 2.618 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588569616 983649271 /nfs/dbraw/zinc/64/92/71/983649271.db2.gz GUHBFTIVJFDRGW-UHFFFAOYSA-N -1 0 338.429 2.719 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)on2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588577206 983655960 /nfs/dbraw/zinc/65/59/60/983655960.db2.gz QNFMIRFONRMSNX-QGZVFWFLSA-N -1 0 345.403 2.509 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588577363 983656136 /nfs/dbraw/zinc/65/61/36/983656136.db2.gz SYMYHEFBGBDYNS-GFCCVEGCSA-N -1 0 332.429 2.802 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588579094 983660763 /nfs/dbraw/zinc/66/07/63/983660763.db2.gz UOXUKYYAONBCCK-QGZVFWFLSA-N -1 0 330.388 2.805 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588591340 983672457 /nfs/dbraw/zinc/67/24/57/983672457.db2.gz HXJCIKSIAVJNSI-NEPJUHHUSA-N -1 0 340.374 2.668 20 30 EFEDRM C=C(C)Cn1c([C@H](O)/C=C/CC)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588591693 983673832 /nfs/dbraw/zinc/67/38/32/983673832.db2.gz LQAVODJTRLZGBS-SBPGJCINSA-N -1 0 348.447 2.545 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588591688 983673896 /nfs/dbraw/zinc/67/38/96/983673896.db2.gz LOTQUTQGISGLAV-HUUCEWRRSA-N -1 0 343.431 2.562 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588591712 983674223 /nfs/dbraw/zinc/67/42/23/983674223.db2.gz LXTMLGFTCALXPV-MJBXVCDLSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1[C@]1(C)CCC=CO1 ZINC001588598764 983685940 /nfs/dbraw/zinc/68/59/40/983685940.db2.gz NMHVPSPXFYDKTE-SFHVURJKSA-N -1 0 346.431 2.695 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001588598853 983686466 /nfs/dbraw/zinc/68/64/66/983686466.db2.gz PZWILZIFEBLDOS-CQSZACIVSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001588599423 983689808 /nfs/dbraw/zinc/68/98/08/983689808.db2.gz OLQZKBGNGSTLIY-GWCFXTLKSA-N -1 0 347.396 2.756 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1cscc1Br ZINC001588612309 983702662 /nfs/dbraw/zinc/70/26/62/983702662.db2.gz MCCQMMDFGIBIPK-UHFFFAOYSA-N -1 0 332.219 2.890 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1F ZINC001588612614 983703782 /nfs/dbraw/zinc/70/37/82/983703782.db2.gz UFSAYYLPENWVOS-UHFFFAOYSA-N -1 0 344.180 2.968 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC001588619543 983717597 /nfs/dbraw/zinc/71/75/97/983717597.db2.gz WVNBJIGEUNFHJH-XHDPSFHLSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001588622224 983722597 /nfs/dbraw/zinc/72/25/97/983722597.db2.gz RTTNDALPSZPOQY-UHFFFAOYSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001588622280 983722918 /nfs/dbraw/zinc/72/29/18/983722918.db2.gz TURHQCASYFFPHS-ZDUSSCGKSA-N -1 0 346.210 2.954 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001588622255 983722980 /nfs/dbraw/zinc/72/29/80/983722980.db2.gz SMQXLXKHJVTELW-CVEARBPZSA-N -1 0 331.412 2.908 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001588623709 983728878 /nfs/dbraw/zinc/72/88/78/983728878.db2.gz UXTPNCYECAKOLJ-UHFFFAOYSA-N -1 0 325.286 2.594 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC001588630223 983742263 /nfs/dbraw/zinc/74/22/63/983742263.db2.gz GFUHPGMZNWONAO-WCQYABFASA-N -1 0 338.201 2.842 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(C)cnn1Cc1ccccc1F ZINC001588630250 983742446 /nfs/dbraw/zinc/74/24/46/983742446.db2.gz GSNGNCUNKVDXBB-UHFFFAOYSA-N -1 0 331.347 2.738 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001588633443 983749686 /nfs/dbraw/zinc/74/96/86/983749686.db2.gz HABYUVJLNMOKHD-UHFFFAOYSA-N -1 0 344.758 2.757 20 30 EFEDRM C=C(CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001588637417 983759821 /nfs/dbraw/zinc/75/98/21/983759821.db2.gz ODQCLJOVHKXRNX-UHFFFAOYSA-N -1 0 326.352 2.985 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H](C)C(=O)[O-])s1 ZINC001588643544 983766485 /nfs/dbraw/zinc/76/64/85/983766485.db2.gz KPNHPFRSWHAYRV-VIFPVBQESA-N -1 0 348.877 2.770 20 30 EFEDRM C=C1CC(C)(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)C1 ZINC001588643951 983768140 /nfs/dbraw/zinc/76/81/40/983768140.db2.gz ZKJIWTKBSXUZHA-UONOGXRCSA-N -1 0 335.350 2.948 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588644244 983768735 /nfs/dbraw/zinc/76/87/35/983768735.db2.gz KJYUTGWVHBMFKQ-PHIMTYICSA-N -1 0 341.816 2.910 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588644396 983769505 /nfs/dbraw/zinc/76/95/05/983769505.db2.gz UOJXVKDANNLNRB-TXEJJXNPSA-N -1 0 348.786 2.686 20 30 EFEDRM C=C1CCC(CNC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC1 ZINC001588649854 983770606 /nfs/dbraw/zinc/77/06/06/983770606.db2.gz IJUHCXRGYZNXKR-UHFFFAOYSA-N -1 0 332.400 2.629 20 30 EFEDRM C=C1CCC(CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC001588649869 983770895 /nfs/dbraw/zinc/77/08/95/983770895.db2.gz IZDAUSQCZXTLCZ-UHFFFAOYSA-N -1 0 332.400 2.939 20 30 EFEDRM C=C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001588661828 983787846 /nfs/dbraw/zinc/78/78/46/983787846.db2.gz SSWOKCSTAVDPOR-PBHICJAKSA-N -1 0 341.338 2.974 20 30 EFEDRM C=C[C@@H](C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001588664027 983797867 /nfs/dbraw/zinc/79/78/67/983797867.db2.gz MTMAMADHGSJXHT-KGLIPLIRSA-N -1 0 325.368 2.502 20 30 EFEDRM C=C[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C)c1ccccc1 ZINC001588664693 983803973 /nfs/dbraw/zinc/80/39/73/983803973.db2.gz TUVRAOVVXRSOIG-YZVOILCLSA-N -1 0 331.412 2.731 20 30 EFEDRM C=CC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588672275 983824864 /nfs/dbraw/zinc/82/48/64/983824864.db2.gz QOBVLRHFEIAEDJ-VIFPVBQESA-N -1 0 325.386 2.837 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001588673278 983829785 /nfs/dbraw/zinc/82/97/85/983829785.db2.gz POTUWZHFTUKDHY-ZIAGYGMSSA-N -1 0 346.431 2.616 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001588681538 983839932 /nfs/dbraw/zinc/83/99/32/983839932.db2.gz YOUVEAQBZHEBKO-GOSISDBHSA-N -1 0 332.448 2.910 20 30 EFEDRM C=C[C@](C)(O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588681771 983841773 /nfs/dbraw/zinc/84/17/73/983841773.db2.gz DXUXQPKSQMHVEZ-FQEVSTJZSA-N -1 0 335.359 2.660 20 30 EFEDRM C=C[C@H](C)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588686623 983866132 /nfs/dbraw/zinc/86/61/32/983866132.db2.gz AGKCVJCISCUPBH-LURJTMIESA-N -1 0 331.141 2.982 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588688083 983873633 /nfs/dbraw/zinc/87/36/33/983873633.db2.gz YCQJNZIFNHIDNF-LURJTMIESA-N -1 0 347.140 2.914 20 30 EFEDRM C=C[C@H](Sc1nc2cc(Br)c(C)nc2[nH]1)C(=O)[O-] ZINC001588714269 983950750 /nfs/dbraw/zinc/95/07/50/983950750.db2.gz DSCWIKATMJIVDL-QMMMGPOBSA-N -1 0 328.191 2.760 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001588718877 983958382 /nfs/dbraw/zinc/95/83/82/983958382.db2.gz IJCWYZQCXDLSSU-GFCCVEGCSA-N -1 0 334.372 2.974 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001588732288 984017589 /nfs/dbraw/zinc/01/75/89/984017589.db2.gz YSMUFUFRLFMLKO-KBPBESRZSA-N -1 0 345.317 2.988 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588736022 984022307 /nfs/dbraw/zinc/02/23/07/984022307.db2.gz CDMCXNMSEXQOGN-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588736116 984023532 /nfs/dbraw/zinc/02/35/32/984023532.db2.gz SPTVBJYJLGHDOY-ZDUSSCGKSA-N -1 0 348.399 2.581 20 30 EFEDRM C=CCC(F)(F)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001588742974 984035080 /nfs/dbraw/zinc/03/50/80/984035080.db2.gz PBFRPIWYIBTWSC-UHFFFAOYSA-N -1 0 327.312 2.848 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001588742878 984035536 /nfs/dbraw/zinc/03/55/36/984035536.db2.gz MSESYQGMANWVRP-JTQLQIEISA-N -1 0 348.143 2.902 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001588743093 984036023 /nfs/dbraw/zinc/03/60/23/984036023.db2.gz RFPONHYRTGFXEX-GFCCVEGCSA-N -1 0 326.343 2.988 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001588745266 984049917 /nfs/dbraw/zinc/04/99/17/984049917.db2.gz WWECHNRSKPCHRA-OAHLLOKOSA-N -1 0 328.368 2.964 20 30 EFEDRM C=CC[C@H](OC(=O)C1(c2ccc(OC)c(OC)c2)CCC1)C(=O)[O-] ZINC001588751490 984077208 /nfs/dbraw/zinc/07/72/08/984077208.db2.gz NELIPZZKKSIFEF-AWEZNQCLSA-N -1 0 334.368 2.698 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588752658 984082295 /nfs/dbraw/zinc/08/22/95/984082295.db2.gz YZUVIDNGPQCELB-VXGBXAGGSA-N -1 0 332.274 2.965 20 30 EFEDRM C=CC[C@H](OC(=O)c1cccc(COC2CCOCC2)c1)C(=O)[O-] ZINC001588756104 984096655 /nfs/dbraw/zinc/09/66/55/984096655.db2.gz HKZWAUQEKWITKD-INIZCTEOSA-N -1 0 334.368 2.568 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC001588757140 984101999 /nfs/dbraw/zinc/10/19/99/984101999.db2.gz WLJJCEHZXOLQIQ-AWEZNQCLSA-N -1 0 333.384 2.535 20 30 EFEDRM C=CC[C@H](OC(=O)c1nc(C(C)C)ncc1Br)C(=O)[O-] ZINC001588759335 984110877 /nfs/dbraw/zinc/11/08/77/984110877.db2.gz RSUGOZTWWKSLTK-VIFPVBQESA-N -1 0 343.177 2.549 20 30 EFEDRM C=CC[C@H](c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588763302 984119303 /nfs/dbraw/zinc/11/93/03/984119303.db2.gz SUETVQKNBDYDRF-CVEARBPZSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CC[C@@H](c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588763304 984119378 /nfs/dbraw/zinc/11/93/78/984119378.db2.gz SUETVQKNBDYDRF-HZPDHXFCSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCOCC1 ZINC001588764694 984122857 /nfs/dbraw/zinc/12/28/57/984122857.db2.gz GPVYBTJEYYEMEA-UHFFFAOYSA-N -1 0 334.328 2.604 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCOCC1 ZINC001588765081 984124945 /nfs/dbraw/zinc/12/49/45/984124945.db2.gz PWPNTBAJGYFYPZ-UHFFFAOYSA-N -1 0 325.311 2.974 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2c(C)csc2C(=O)[O-])CCCC1 ZINC001588767279 984129424 /nfs/dbraw/zinc/12/94/24/984129424.db2.gz RSJPZHCYRUELHY-UHFFFAOYSA-N -1 0 336.413 2.698 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])CCCC1 ZINC001588769029 984131545 /nfs/dbraw/zinc/13/15/45/984131545.db2.gz JUKNRVLJPWODFJ-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CCCC1 ZINC001588769278 984132950 /nfs/dbraw/zinc/13/29/50/984132950.db2.gz RFIVRXOGIPJVPL-UHFFFAOYSA-N -1 0 339.413 2.561 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CCCC1 ZINC001588769356 984133579 /nfs/dbraw/zinc/13/35/79/984133579.db2.gz SJZCDYBQRATCRU-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C1 ZINC001588770667 984135102 /nfs/dbraw/zinc/13/51/02/984135102.db2.gz CHUUHMBPUXEMKR-LBPRGKRZSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CCC1(O)CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC001588770684 984135600 /nfs/dbraw/zinc/13/56/00/984135600.db2.gz CZVCKVGAYWDJCC-UHFFFAOYSA-N -1 0 330.306 2.706 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588770686 984135625 /nfs/dbraw/zinc/13/56/25/984135625.db2.gz DCAXTYTZDOJDIR-CBBWQLFWSA-N -1 0 329.462 2.684 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588770687 984135764 /nfs/dbraw/zinc/13/57/64/984135764.db2.gz DCAXTYTZDOJDIR-KBXIAJHMSA-N -1 0 329.462 2.684 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588770973 984136772 /nfs/dbraw/zinc/13/67/72/984136772.db2.gz KTTJBMXNYQMYOZ-HIFRSBDPSA-N -1 0 343.427 2.982 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC001588772376 984142474 /nfs/dbraw/zinc/14/24/74/984142474.db2.gz DQBFAQCDFZZXNP-NSHDSACASA-N -1 0 327.377 2.501 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001588773605 984148349 /nfs/dbraw/zinc/14/83/49/984148349.db2.gz BERGKIQJQHJYDM-INIZCTEOSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)c2scnc2C(=O)[O-])CCCC1(C)C ZINC001588773880 984149861 /nfs/dbraw/zinc/14/98/61/984149861.db2.gz MEIQYTGNNTZOMK-JTQLQIEISA-N -1 0 344.458 2.597 20 30 EFEDRM C=CCCC(C)(C)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001588778118 984159298 /nfs/dbraw/zinc/15/92/98/984159298.db2.gz TUKMAOZCSLHTRI-GFCCVEGCSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588778156 984159414 /nfs/dbraw/zinc/15/94/14/984159414.db2.gz VHWGDKHJKIIPMS-LSDHHAIUSA-N -1 0 344.411 2.674 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588778255 984160516 /nfs/dbraw/zinc/16/05/16/984160516.db2.gz ZEOLXSLSWZGORL-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CCC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588779343 984165224 /nfs/dbraw/zinc/16/52/24/984165224.db2.gz WQGSKTBBWNMJJZ-BXKDBHETSA-N -1 0 348.262 2.895 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588781796 984168618 /nfs/dbraw/zinc/16/86/18/984168618.db2.gz HPFUYVFGSKNPQH-AWEZNQCLSA-N -1 0 329.462 2.782 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001588782630 984173646 /nfs/dbraw/zinc/17/36/46/984173646.db2.gz XJAXUUYZQJWYGA-CYBMUJFWSA-N -1 0 341.404 2.572 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001588782646 984174035 /nfs/dbraw/zinc/17/40/35/984174035.db2.gz XQDPWEKNRUMBCX-LBPRGKRZSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588782671 984174093 /nfs/dbraw/zinc/17/40/93/984174093.db2.gz YVUZTTVRDQJWAD-QWHCGFSZSA-N -1 0 332.404 2.556 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588782667 984174226 /nfs/dbraw/zinc/17/42/26/984174226.db2.gz YVUZTTVRDQJWAD-CHWSQXEVSA-N -1 0 332.404 2.556 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588786021 984182219 /nfs/dbraw/zinc/18/22/19/984182219.db2.gz LTOMKMIWIMCAKL-LBPRGKRZSA-N -1 0 342.298 2.612 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588786289 984183756 /nfs/dbraw/zinc/18/37/56/984183756.db2.gz OUQKGMXHBFDTQP-NSHDSACASA-N -1 0 329.393 2.855 20 30 EFEDRM C=CCCC[C@H](NC(=O)COCc1cccc(Cl)c1)C(=O)[O-] ZINC001588788447 984189411 /nfs/dbraw/zinc/18/94/11/984189411.db2.gz CNASJORBVFRYTQ-AWEZNQCLSA-N -1 0 325.792 2.782 20 30 EFEDRM C=CCCC[C@@H](NC(=O)COCc1cccc(Cl)c1)C(=O)[O-] ZINC001588788448 984189451 /nfs/dbraw/zinc/18/94/51/984189451.db2.gz CNASJORBVFRYTQ-CQSZACIVSA-N -1 0 325.792 2.782 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC001588789131 984196856 /nfs/dbraw/zinc/19/68/56/984196856.db2.gz ZCGLDEWALBAUQO-HNNXBMFYSA-N -1 0 332.425 2.717 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792615 984211271 /nfs/dbraw/zinc/21/12/71/984211271.db2.gz BPMAROHNMKTXCS-AWEZNQCLSA-N -1 0 347.371 2.708 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)cn1CC)C(=O)[O-] ZINC001588792706 984211862 /nfs/dbraw/zinc/21/18/62/984211862.db2.gz MEJTUSABJGZLOQ-NSHDSACASA-N -1 0 343.221 2.810 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c[nH]nc1-c1c(F)cccc1F)C(=O)[O-] ZINC001588792918 984214273 /nfs/dbraw/zinc/21/42/73/984214273.db2.gz QBKCFNWONNUSKI-ZDUSSCGKSA-N -1 0 349.337 2.894 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC001588793145 984216409 /nfs/dbraw/zinc/21/64/09/984216409.db2.gz LKCRMGOIBRRWQV-JTQLQIEISA-N -1 0 327.283 2.547 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2ccccc2c(OC)n1)C(=O)[O-] ZINC001588793243 984217221 /nfs/dbraw/zinc/21/72/21/984217221.db2.gz UWFNYCUGJUNHQE-CQSZACIVSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588793278 984217607 /nfs/dbraw/zinc/21/76/07/984217607.db2.gz VKHPGNRTHVTREG-LBPRGKRZSA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001588793474 984219598 /nfs/dbraw/zinc/21/95/98/984219598.db2.gz YCRNUXGFHVJWNK-KRWDZBQOSA-N -1 0 341.411 2.935 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001588793725 984221391 /nfs/dbraw/zinc/22/13/91/984221391.db2.gz ZEYBDYFEOBMHFH-AWEZNQCLSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)[O-] ZINC001588797377 984229387 /nfs/dbraw/zinc/22/93/87/984229387.db2.gz DGRHJOIWFHACIR-ZDUSSCGKSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncc(Cc2ccccc2)o1)C(=O)[O-] ZINC001588797721 984231001 /nfs/dbraw/zinc/23/10/01/984231001.db2.gz JZGGKUQMJOYHMK-OAHLLOKOSA-N -1 0 328.368 2.805 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)CCc1cccc(Cl)c1)C(=O)[O-] ZINC001588798047 984232874 /nfs/dbraw/zinc/23/28/74/984232874.db2.gz RWPFBEPFQQISOK-CQSZACIVSA-N -1 0 345.848 2.611 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001588801325 984245700 /nfs/dbraw/zinc/24/57/00/984245700.db2.gz JALCQSGVSVLZKF-UHFFFAOYSA-N -1 0 338.429 2.816 20 30 EFEDRM C=CCCCN(CC)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001588801767 984247726 /nfs/dbraw/zinc/24/77/26/984247726.db2.gz ZXVWDNVNRKKAMQ-UHFFFAOYSA-N -1 0 326.422 2.765 20 30 EFEDRM C=CCCCNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588803770 984252254 /nfs/dbraw/zinc/25/22/54/984252254.db2.gz JOHDNCLBZFBRGR-UHFFFAOYSA-N -1 0 337.445 2.772 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001596501461 984255502 /nfs/dbraw/zinc/25/55/02/984255502.db2.gz VPLXFSDAAYVXCB-GQCTYLIASA-N -1 0 325.324 2.933 20 30 EFEDRM C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805980 984257532 /nfs/dbraw/zinc/25/75/32/984257532.db2.gz WOGAHHGTOBOSEX-CQSZACIVSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588810514 984268076 /nfs/dbraw/zinc/26/80/76/984268076.db2.gz VNMYUXDRFROLPT-UHFFFAOYSA-N -1 0 346.152 2.818 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001588814942 984274704 /nfs/dbraw/zinc/27/47/04/984274704.db2.gz ZREBCNOHXDVQLI-AEFFLSMTSA-N -1 0 349.452 2.823 20 30 EFEDRM C=CCCn1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)nn1 ZINC001588817295 984275280 /nfs/dbraw/zinc/27/52/80/984275280.db2.gz GYYRNAIWKGWRJZ-UHFFFAOYSA-N -1 0 340.383 2.752 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])nn1 ZINC001588817378 984275875 /nfs/dbraw/zinc/27/58/75/984275875.db2.gz JJJCQROVUQYQMW-UHFFFAOYSA-N -1 0 338.726 2.597 20 30 EFEDRM C=CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@@H](C)COC ZINC001588820791 984286336 /nfs/dbraw/zinc/28/63/36/984286336.db2.gz RZXMJTNACZHPCX-NSHDSACASA-N -1 0 331.372 2.921 20 30 EFEDRM C=CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@@H](C)COC ZINC001588820963 984287592 /nfs/dbraw/zinc/28/75/92/984287592.db2.gz ZUUFHEDSMAUIIB-VBNZEHGJSA-N -1 0 332.400 2.930 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588825603 984301298 /nfs/dbraw/zinc/30/12/98/984301298.db2.gz UVOXZELLQMKNTL-CABCVRRESA-N -1 0 329.462 2.638 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001588829103 984311675 /nfs/dbraw/zinc/31/16/75/984311675.db2.gz BBNZCWPVVANRRB-UHFFFAOYSA-N -1 0 329.356 2.564 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001588832754 984325747 /nfs/dbraw/zinc/32/57/47/984325747.db2.gz XGAJMGUWKAAMHZ-OAHLLOKOSA-N -1 0 330.384 2.923 20 30 EFEDRM C=CCN(Cc1ccc(C(=O)[O-])n1C)Cc1cccc([N+](=O)[O-])c1 ZINC001588832730 984325949 /nfs/dbraw/zinc/32/59/49/984325949.db2.gz NULWEUNUIWAUQS-UHFFFAOYSA-N -1 0 329.356 2.820 20 30 EFEDRM C=CCNC(=O)c1cccc(-c2noc(-c3cc(C(=O)[O-])co3)n2)c1 ZINC001588845370 984362056 /nfs/dbraw/zinc/36/20/56/984362056.db2.gz JMNQKWFBCBEJLZ-UHFFFAOYSA-N -1 0 339.307 2.611 20 30 EFEDRM C=CCNc1ncc(C(=O)OCCc2ccccc2C(=O)[O-])s1 ZINC001588849244 984369530 /nfs/dbraw/zinc/36/95/30/984369530.db2.gz FWAVVZMUFQUYAQ-UHFFFAOYSA-N -1 0 332.381 2.839 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])s1 ZINC001588849331 984370292 /nfs/dbraw/zinc/37/02/92/984370292.db2.gz LFXCUBLVQALEJK-LBPRGKRZSA-N -1 0 337.445 2.894 20 30 EFEDRM C=CCNc1ncc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC001588849345 984370823 /nfs/dbraw/zinc/37/08/23/984370823.db2.gz LSQPYQHQDDBGKX-UHFFFAOYSA-N -1 0 339.461 2.950 20 30 EFEDRM C=CCNc1ncc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC001588849561 984372660 /nfs/dbraw/zinc/37/26/60/984372660.db2.gz ZBFSQRUXAYJSML-SRVKXCTJSA-N -1 0 335.429 2.599 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001588849941 984377240 /nfs/dbraw/zinc/37/72/40/984377240.db2.gz PUBYWLHJAPJBDF-LBPRGKRZSA-N -1 0 336.413 2.916 20 30 EFEDRM C=CCO[C@H]1CCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001588850033 984377401 /nfs/dbraw/zinc/37/74/01/984377401.db2.gz UIFYFOOXQABIFV-VIFPVBQESA-N -1 0 330.178 2.517 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001588856311 984398951 /nfs/dbraw/zinc/39/89/51/984398951.db2.gz GQMOJAJMXBLTMX-SNVBAGLBSA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001588861380 984415357 /nfs/dbraw/zinc/41/53/57/984415357.db2.gz HKVQJMXTJPXHPK-CQSZACIVSA-N -1 0 341.791 2.513 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC001588869762 984440935 /nfs/dbraw/zinc/44/09/35/984440935.db2.gz YHSAAFJYNOOYJW-MRXNPFEDSA-N -1 0 326.352 2.592 20 30 EFEDRM C=CCOc1ccc(COC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001588872873 984443105 /nfs/dbraw/zinc/44/31/05/984443105.db2.gz OTIABYONQZEDHA-UHFFFAOYSA-N -1 0 331.324 2.614 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001588873633 984444651 /nfs/dbraw/zinc/44/46/51/984444651.db2.gz DWRCYITWAANGJN-MRXNPFEDSA-N -1 0 331.393 2.798 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CCC(=O)[O-])C(C)C)cc1OC ZINC001588874763 984449116 /nfs/dbraw/zinc/44/91/16/984449116.db2.gz FUPKMBJFZKWGTN-CLFYSBASSA-N -1 0 347.411 2.985 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001588877180 984451637 /nfs/dbraw/zinc/45/16/37/984451637.db2.gz AHYQKLVJOSXQBU-CQSZACIVSA-N -1 0 338.363 2.550 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588877295 984452288 /nfs/dbraw/zinc/45/22/88/984452288.db2.gz HDRDENVKHNKAJN-NTMALXAHSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCOc1ccccc1C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588877539 984454031 /nfs/dbraw/zinc/45/40/31/984454031.db2.gz ZIZMCUOXHLCLOM-UHFFFAOYSA-N -1 0 340.331 2.989 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](F)C(F)(F)F ZINC001588881587 984460624 /nfs/dbraw/zinc/46/06/24/984460624.db2.gz BGTUMHQMIOJKEW-LLVKDONJSA-N -1 0 336.237 2.928 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC001588881690 984461085 /nfs/dbraw/zinc/46/10/85/984461085.db2.gz FAYZFMSLGVUVBI-FIXISWKDSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccnc(F)c1 ZINC001588884912 984464571 /nfs/dbraw/zinc/46/45/71/984464571.db2.gz HNCVGVAXMDOPNK-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C#N)o1 ZINC001588885161 984466369 /nfs/dbraw/zinc/46/63/69/984466369.db2.gz NBHDNJCYPYWKLW-UHFFFAOYSA-N -1 0 327.292 2.806 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccnn1CC ZINC001588885257 984466441 /nfs/dbraw/zinc/46/64/41/984466441.db2.gz NJHDWKPEQRGLEV-UHFFFAOYSA-N -1 0 330.340 2.558 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588888798 984475957 /nfs/dbraw/zinc/47/59/57/984475957.db2.gz DLYKIAZZNDNONW-CQSZACIVSA-N -1 0 326.400 2.741 20 30 EFEDRM C=CCn1c([C@@H](CC)OCC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588895558 984494377 /nfs/dbraw/zinc/49/43/77/984494377.db2.gz INEWJOPFXRGHKV-CXAGYDPISA-N -1 0 336.436 2.643 20 30 EFEDRM C=CCn1c(CCC)nnc1N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588896663 984503882 /nfs/dbraw/zinc/50/38/82/984503882.db2.gz DISKUYREYJYBBM-NSHDSACASA-N -1 0 347.444 2.565 20 30 EFEDRM C=CCn1c([C@H](C)C2CCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897473 984510567 /nfs/dbraw/zinc/51/05/67/984510567.db2.gz ZONNYCUSMJQSAF-UMVBOHGHSA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCn1c([C@H]2CC=CCC2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588897588 984511583 /nfs/dbraw/zinc/51/15/83/984511583.db2.gz RSPYGNRGXYGMQB-DEYYWGMASA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001588904048 984526590 /nfs/dbraw/zinc/52/65/90/984526590.db2.gz FHIDUEUGYIZGDR-KRWDZBQOSA-N -1 0 345.447 2.737 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])nnc1-c1ccco1 ZINC001588905547 984537175 /nfs/dbraw/zinc/53/71/75/984537175.db2.gz YBLDKDQKRHLOES-JTQLQIEISA-N -1 0 349.412 2.885 20 30 EFEDRM C=CCn1c(=O)[nH]nc1SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588907292 984538985 /nfs/dbraw/zinc/53/89/85/984538985.db2.gz HVSLISLNQIMUIU-UHFFFAOYSA-N -1 0 342.380 2.708 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccccc1C ZINC001588907431 984539487 /nfs/dbraw/zinc/53/94/87/984539487.db2.gz MNYGUXRNDVHVBE-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NCc3ccc(C(=O)[O-])o3)cc2n1 ZINC001588908978 984540964 /nfs/dbraw/zinc/54/09/64/984540964.db2.gz CJSIAORYPAJECF-UHFFFAOYSA-N -1 0 340.339 2.835 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)cc21 ZINC001588912722 984552750 /nfs/dbraw/zinc/55/27/50/984552750.db2.gz OFWQHEWDAXBOKY-CYBMUJFWSA-N -1 0 326.356 2.517 20 30 EFEDRM C=CCn1cnnc1Sc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001588912873 984553235 /nfs/dbraw/zinc/55/32/35/984553235.db2.gz QGLNRPKEOGZZGL-GQCTYLIASA-N -1 0 332.341 2.621 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588917896 984568244 /nfs/dbraw/zinc/56/82/44/984568244.db2.gz HKRSEVFYKXVQAD-ZFWWWQNUSA-N -1 0 348.399 2.885 20 30 EFEDRM CC#CCCCC(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588925447 984587132 /nfs/dbraw/zinc/58/71/32/984587132.db2.gz QJGCFRNRNOAWIM-LBPRGKRZSA-N -1 0 341.329 2.800 20 30 EFEDRM CC#CCN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588931133 984601278 /nfs/dbraw/zinc/60/12/78/984601278.db2.gz MADQPIDXVRTYSG-UHFFFAOYSA-N -1 0 329.183 2.585 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1 ZINC001596634700 984622331 /nfs/dbraw/zinc/62/23/31/984622331.db2.gz UTCIJBRFEODGBF-BQYQJAHWSA-N -1 0 328.320 2.980 20 30 EFEDRM C/C(=C\C(=O)[O-])Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC001588952875 984689363 /nfs/dbraw/zinc/68/93/63/984689363.db2.gz VJMRCTFVHOWFMN-RUDMXATFSA-N -1 0 347.168 2.667 20 30 EFEDRM C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC001599893923 984729126 /nfs/dbraw/zinc/72/91/26/984729126.db2.gz CWEAENRXTKWKKG-LBPRGKRZSA-N -1 0 341.367 2.894 20 30 EFEDRM CC(N=Nc1cc(C(=O)[O-])ccc1Br)[C@@H]1CCOC1 ZINC001589017060 985000211 /nfs/dbraw/zinc/00/02/11/985000211.db2.gz VBXRWZAAGXQETN-SNVBAGLBSA-N -1 0 327.178 2.972 20 30 EFEDRM CC(C)c1nccnc1N=NC(C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017391 985003197 /nfs/dbraw/zinc/00/31/97/985003197.db2.gz KMPRNQWUJGEOAY-UHFFFAOYSA-N -1 0 328.372 2.900 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC001589017583 985004835 /nfs/dbraw/zinc/00/48/35/985004835.db2.gz VPUFAABAAGODTP-UHFFFAOYSA-N -1 0 343.314 2.691 20 30 EFEDRM CC(=NOCc1cnc(C2CC2)o1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021989 985015116 /nfs/dbraw/zinc/01/51/16/985015116.db2.gz ZFLFMPQSPSQYMV-UHFFFAOYSA-N -1 0 330.340 2.956 20 30 EFEDRM C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@]1(C)C(=O)[O-] ZINC001599932256 985335591 /nfs/dbraw/zinc/33/55/91/985335591.db2.gz DUVLIOWWPKIATE-BTDLBPIBSA-N -1 0 340.339 2.562 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC001599960433 985771804 /nfs/dbraw/zinc/77/18/04/985771804.db2.gz SDTIAPPXVRUAQR-UHFFFAOYSA-N -1 0 349.390 2.865 20 30 EFEDRM CC(=O)[C@@H]1C[C@H](CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC001589230860 985779800 /nfs/dbraw/zinc/77/98/00/985779800.db2.gz JRSHITAOUHYJBB-HLLBOEOZSA-N -1 0 343.379 2.869 20 30 EFEDRM CC(=O)[C@@H]1C[C@H](CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1(C)C ZINC001589230861 985779975 /nfs/dbraw/zinc/77/99/75/985779975.db2.gz JRSHITAOUHYJBB-VYDXJSESSA-N -1 0 343.379 2.869 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C#Cc1ccc(CC)cc1 ZINC001596907826 985895832 /nfs/dbraw/zinc/89/58/32/985895832.db2.gz BSDUKOLLDVEJGH-INIZCTEOSA-N -1 0 345.439 2.576 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001589273999 985979942 /nfs/dbraw/zinc/97/99/42/985979942.db2.gz VCYDNOHLMCGYKD-CQSZACIVSA-N -1 0 326.274 2.604 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599973407 986048032 /nfs/dbraw/zinc/04/80/32/986048032.db2.gz ROJHQBGVXRQZOK-QZTJIDSGSA-N -1 0 334.375 2.807 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001599973486 986048544 /nfs/dbraw/zinc/04/85/44/986048544.db2.gz VRQXEYPORZBWJK-HNNXBMFYSA-N -1 0 330.290 2.701 20 30 EFEDRM CC(=O)c1cccc(C#N)c1OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589306135 986071977 /nfs/dbraw/zinc/07/19/77/986071977.db2.gz QXRXAXBFUVUKQT-UHFFFAOYSA-N -1 0 340.291 2.946 20 30 EFEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccn1 ZINC001599974809 986072285 /nfs/dbraw/zinc/07/22/85/986072285.db2.gz JMTJCGZQKHWPSE-VOTSOKGWSA-N -1 0 336.351 2.509 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589334479 986201538 /nfs/dbraw/zinc/20/15/38/986201538.db2.gz FCWJGNSUBKTJIY-MXMFLMJRSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001589334691 986203871 /nfs/dbraw/zinc/20/38/71/986203871.db2.gz HITHLVJKOQAQGW-LBPRGKRZSA-N -1 0 339.351 2.726 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589334777 986204827 /nfs/dbraw/zinc/20/48/27/986204827.db2.gz KBTZTTLBHXEBBL-PNPHSEOMSA-N -1 0 343.383 2.839 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001589336416 986221149 /nfs/dbraw/zinc/22/11/49/986221149.db2.gz ZZIPFNRUVNKLDJ-GFCCVEGCSA-N -1 0 331.372 2.744 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001589336423 986221688 /nfs/dbraw/zinc/22/16/88/986221688.db2.gz ZZIPFNRUVNKLDJ-LBPRGKRZSA-N -1 0 331.372 2.744 20 30 EFEDRM CCOc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)cc(Cl)c1O ZINC001597032428 986455671 /nfs/dbraw/zinc/45/56/71/986455671.db2.gz VBWYGNRLALFCKB-UHFFFAOYSA-N -1 0 338.791 2.635 20 30 EFEDRM CCOc1cc(C=NN2CCC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034138 986467320 /nfs/dbraw/zinc/46/73/20/986467320.db2.gz WRRLHZYHBZDFML-UHFFFAOYSA-N -1 0 344.367 2.995 20 30 EFEDRM CCOc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001597055803 986535102 /nfs/dbraw/zinc/53/51/02/986535102.db2.gz KGVHPKZHXKRVRZ-HWKANZROSA-N -1 0 330.296 2.916 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)CS[C@H](C)C(=O)[O-])cc1 ZINC001597106757 986749884 /nfs/dbraw/zinc/74/98/84/986749884.db2.gz UAVJFOYJQJJCBS-GFCCVEGCSA-N -1 0 336.413 2.538 20 30 EFEDRM CCOc1cccc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001597145885 986908384 /nfs/dbraw/zinc/90/83/84/986908384.db2.gz NIIQLALQYAYXKK-ZDUSSCGKSA-N -1 0 345.399 2.546 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001594722620 987214963 /nfs/dbraw/zinc/21/49/63/987214963.db2.gz RHZQEVDQFIKWCN-BXKDBHETSA-N -1 0 339.189 2.631 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001594724724 987222586 /nfs/dbraw/zinc/22/25/86/987222586.db2.gz BWURXIFYOHRNRB-ZDUSSCGKSA-N -1 0 328.324 2.589 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001594725622 987231671 /nfs/dbraw/zinc/23/16/71/987231671.db2.gz ZAUUDZGKWMUACG-ZDUSSCGKSA-N -1 0 342.351 2.897 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001594725621 987232071 /nfs/dbraw/zinc/23/20/71/987232071.db2.gz ZAUUDZGKWMUACG-CYBMUJFWSA-N -1 0 342.351 2.897 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cc(C(F)(F)F)ccn1 ZINC001589540554 987244815 /nfs/dbraw/zinc/24/48/15/987244815.db2.gz YTIDDFBGMYVORK-VIFPVBQESA-N -1 0 326.278 2.994 20 30 EFEDRM CC(C)(C#N)c1ccccc1COC(=O)CCc1ocnc1C(=O)[O-] ZINC001589560823 987317250 /nfs/dbraw/zinc/31/72/50/987317250.db2.gz TWFCOICVASMNOC-UHFFFAOYSA-N -1 0 342.351 2.850 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 ZINC001589599420 987422647 /nfs/dbraw/zinc/42/26/47/987422647.db2.gz WMWVGMQDUUJAIK-INIZCTEOSA-N -1 0 338.363 2.846 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 ZINC001589638845 987562215 /nfs/dbraw/zinc/56/22/15/987562215.db2.gz ZTBHGTBUBKVCLV-UHFFFAOYSA-N -1 0 337.375 2.645 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001597424173 987747149 /nfs/dbraw/zinc/74/71/49/987747149.db2.gz LTIPDIODWUPTAE-UHFFFAOYSA-N -1 0 337.378 2.648 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001589712138 987843157 /nfs/dbraw/zinc/84/31/57/987843157.db2.gz PMJGSHYPPXUTBM-HNNXBMFYSA-N -1 0 328.412 2.986 20 30 EFEDRM CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001589742109 988016380 /nfs/dbraw/zinc/01/63/80/988016380.db2.gz MXLPTRGIMSMZKB-UHFFFAOYSA-N -1 0 338.429 2.750 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001597494688 988036791 /nfs/dbraw/zinc/03/67/91/988036791.db2.gz GKCKLBWLCLKSNE-HXUWFJFHSA-N -1 0 336.391 2.502 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001597508303 988086007 /nfs/dbraw/zinc/08/60/07/988086007.db2.gz MAZMJXKJEZEMCR-AWEZNQCLSA-N -1 0 326.352 2.772 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597508763 988088698 /nfs/dbraw/zinc/08/86/98/988088698.db2.gz UCLZRQDTSBSKBO-AWEZNQCLSA-N -1 0 325.368 2.887 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001597509129 988090465 /nfs/dbraw/zinc/09/04/65/988090465.db2.gz YHOYMKCLYFAKIY-OAHLLOKOSA-N -1 0 326.396 2.965 20 30 EFEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001589780190 988149751 /nfs/dbraw/zinc/14/97/51/988149751.db2.gz RACKDJZMQPSBDK-UHFFFAOYSA-N -1 0 348.808 2.582 20 30 EFEDRM CSCCNC(=S)NN=C1CCC[C@H](CCCC(=O)[O-])C1 ZINC001599801117 988177465 /nfs/dbraw/zinc/17/74/65/988177465.db2.gz OFWJCRNPCJFFJU-LLVKDONJSA-N -1 0 331.507 2.615 20 30 EFEDRM CSCCNC(=S)NN=C1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001599801118 988177835 /nfs/dbraw/zinc/17/78/35/988177835.db2.gz OFWJCRNPCJFFJU-NSHDSACASA-N -1 0 331.507 2.615 20 30 EFEDRM CSc1ccc(CNC(=O)NCCC(C)(C)C(=O)[O-])cc1C#N ZINC001599813477 988379366 /nfs/dbraw/zinc/37/93/66/988379366.db2.gz VHRXDZPJIMIECF-UHFFFAOYSA-N -1 0 335.429 2.580 20 30 EFEDRM CSc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1C(=O)[O-] ZINC001599819560 988487388 /nfs/dbraw/zinc/48/73/88/988487388.db2.gz VEYLJMMTFACITF-UHFFFAOYSA-N -1 0 345.384 2.861 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2ccsc2C#N)CC1 ZINC001597766329 989212576 /nfs/dbraw/zinc/21/25/76/989212576.db2.gz MLXNHPMVOIICKD-UHFFFAOYSA-N -1 0 345.424 2.796 20 30 EFEDRM CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001597822508 989466185 /nfs/dbraw/zinc/46/61/85/989466185.db2.gz CQJBJTTUXLIXDK-SFHVURJKSA-N -1 0 339.399 2.528 20 30 EFEDRM CCn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001597858738 989620801 /nfs/dbraw/zinc/62/08/01/989620801.db2.gz IEONAQHTICMQFO-ZIAGYGMSSA-N -1 0 345.447 2.570 20 30 EFEDRM CC(C)(C)O[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001590369993 989863512 /nfs/dbraw/zinc/86/35/12/989863512.db2.gz WYAFGPWRNYYVIH-OAHLLOKOSA-N -1 0 344.411 2.760 20 30 EFEDRM CCn1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C1CC1 ZINC001597927373 989874701 /nfs/dbraw/zinc/87/47/01/989874701.db2.gz GSFAFUAVKJQKDK-INIZCTEOSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C1CC1 ZINC001597928094 989880797 /nfs/dbraw/zinc/88/07/97/989880797.db2.gz XNOOQOGSSWIADG-MRXNPFEDSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)c2ccccc21 ZINC001597946294 989935705 /nfs/dbraw/zinc/93/57/05/989935705.db2.gz ZZPNLGRMOZYNNX-PKNBQFBNSA-N -1 0 336.351 2.621 20 30 EFEDRM CC(C)(C)Oc1cccc(CNc2ccc(C(=O)[O-])nc2C#N)n1 ZINC001590420150 989962896 /nfs/dbraw/zinc/96/28/96/989962896.db2.gz NZAQRBUTUGNAPZ-UHFFFAOYSA-N -1 0 326.356 2.836 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001590481915 990077189 /nfs/dbraw/zinc/07/71/89/990077189.db2.gz VPRWXHQFLRQQLO-FTXHTYHOSA-N -1 0 326.396 2.920 20 30 EFEDRM CC(C)(CC#N)CS(=O)(=O)Oc1ccc2cc(C(=O)[O-])cnc2c1 ZINC001590616535 990292606 /nfs/dbraw/zinc/29/26/06/990292606.db2.gz FTOSKHARIKVUCZ-UHFFFAOYSA-N -1 0 348.380 2.581 20 30 EFEDRM CC(C)(CC(=O)[O-])C(=O)OCc1ccc(Br)cc1C#N ZINC001590625850 990311864 /nfs/dbraw/zinc/31/18/64/990311864.db2.gz ZGYSFKGAOGCOKW-UHFFFAOYSA-N -1 0 340.173 2.865 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001590654517 990347299 /nfs/dbraw/zinc/34/72/99/990347299.db2.gz OAPSBWIVLJRHPJ-UHFFFAOYSA-N -1 0 329.400 2.782 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)CCCCOc1cccc(C#N)c1 ZINC001590657969 990357673 /nfs/dbraw/zinc/35/76/73/990357673.db2.gz NKEKCKFKXYNSBO-UHFFFAOYSA-N -1 0 332.400 2.867 20 30 EFEDRM CC(C)(CS[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)[O-] ZINC001590812521 990646795 /nfs/dbraw/zinc/64/67/95/990646795.db2.gz YHXGAPRAIXGTKT-AWEZNQCLSA-N -1 0 332.425 2.898 20 30 EFEDRM CN(C)[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001598165301 990679183 /nfs/dbraw/zinc/67/91/83/990679183.db2.gz NFRQHDPOJAOTHQ-IAGOWNOFSA-N -1 0 338.363 2.530 20 30 EFEDRM CC(C)(O)C1CCC(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001590888374 990808837 /nfs/dbraw/zinc/80/88/37/990808837.db2.gz CYDTVRHTJOVEJC-AVVWSFFYSA-N -1 0 345.395 2.804 20 30 EFEDRM CC(C)(O)C1CCC(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001590888375 990808858 /nfs/dbraw/zinc/80/88/58/990808858.db2.gz CYDTVRHTJOVEJC-BCLQGDPASA-N -1 0 345.395 2.804 20 30 EFEDRM COc1cccc2[nH]cc(CCNc3ccc(C(=O)[O-])nc3C#N)c21 ZINC001599688955 991033825 /nfs/dbraw/zinc/03/38/25/991033825.db2.gz WCIVDIAWURXWNP-UHFFFAOYSA-N -1 0 336.351 2.796 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590960381 991051751 /nfs/dbraw/zinc/05/17/51/991051751.db2.gz CFLUDBQNAIPJEE-OAHLLOKOSA-N -1 0 341.770 2.644 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001598288149 991194007 /nfs/dbraw/zinc/19/40/07/991194007.db2.gz RUTZDTWXDWOWDR-UHFFFAOYSA-N -1 0 349.390 2.915 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001598288148 991194226 /nfs/dbraw/zinc/19/42/26/991194226.db2.gz RUPVJAFOUYAYHC-UHFFFAOYSA-N -1 0 345.305 2.853 20 30 EFEDRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001591046049 991432546 /nfs/dbraw/zinc/43/25/46/991432546.db2.gz ZPLDRACZDNYSPX-OAHLLOKOSA-N -1 0 338.791 2.570 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591051645 991451231 /nfs/dbraw/zinc/45/12/31/991451231.db2.gz FZRZHMZQYQEIDX-INIZCTEOSA-N -1 0 339.351 2.694 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc(C(=O)[O-])co1 ZINC001591051779 991452516 /nfs/dbraw/zinc/45/25/16/991452516.db2.gz HSHKFPYKJQOKAF-INIZCTEOSA-N -1 0 342.351 2.569 20 30 EFEDRM CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC001598366302 991523470 /nfs/dbraw/zinc/52/34/70/991523470.db2.gz NYQVRYHLVGULKX-UHFFFAOYSA-N -1 0 342.461 2.510 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001591322178 992292407 /nfs/dbraw/zinc/29/24/07/992292407.db2.gz ROFJFJMOJJJMSL-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM CC(C)C[C@H](NC(=O)CNc1cccc(C(F)F)c1C#N)C(=O)[O-] ZINC001591462430 992573277 /nfs/dbraw/zinc/57/32/77/992573277.db2.gz JTOOTSLLJZIOLH-ZDUSSCGKSA-N -1 0 339.342 2.523 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cccc(SCC#N)c1 ZINC001598517086 992628915 /nfs/dbraw/zinc/62/89/15/992628915.db2.gz UHJCLUZIABESEH-UHFFFAOYSA-N -1 0 341.392 2.668 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001598523722 992692219 /nfs/dbraw/zinc/69/22/19/992692219.db2.gz GJBNPIDNXBLGJT-UHFFFAOYSA-N -1 0 341.323 2.566 20 30 EFEDRM Cn1c(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1C(=O)[O-] ZINC001598550521 992998464 /nfs/dbraw/zinc/99/84/64/992998464.db2.gz KCMMKFZVYZUNBN-TWGQIWQCSA-N -1 0 338.363 2.528 20 30 EFEDRM C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001593072972 993631201 /nfs/dbraw/zinc/63/12/01/993631201.db2.gz WHJAQPLUAZPWHL-MRAWALMUSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001593078780 993644698 /nfs/dbraw/zinc/64/46/98/993644698.db2.gz NINDADKYWNBHAK-URKNILKWSA-N -1 0 341.411 2.906 20 30 EFEDRM C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593079469 993648255 /nfs/dbraw/zinc/64/82/55/993648255.db2.gz UGYAJJVWGDLBPS-NXEZZACHSA-N -1 0 344.396 2.834 20 30 EFEDRM COc1ccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c(C(=O)[O-])c1 ZINC001599596316 993752597 /nfs/dbraw/zinc/75/25/97/993752597.db2.gz OWJUKOOKUWYCJU-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM C[C@H](NC(=O)c1cccc(F)c1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593175152 994043218 /nfs/dbraw/zinc/04/32/18/994043218.db2.gz FIMSKISBNDNGDD-NSHDSACASA-N -1 0 342.326 2.652 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])n(C)c1)CCO2 ZINC001599624919 994134925 /nfs/dbraw/zinc/13/49/25/994134925.db2.gz DIJGEOBJSCYWMP-GHXNOFRVSA-N -1 0 327.336 2.781 20 30 EFEDRM COc1ccc2ncc(C#N)c(OCc3cncc(C(=O)[O-])c3)c2c1 ZINC001599637403 994308888 /nfs/dbraw/zinc/30/88/88/994308888.db2.gz AIHWXCDZXSALAV-UHFFFAOYSA-N -1 0 335.319 2.787 20 30 EFEDRM COc1cccc(C(=O)/C(=C\c2ccc(C(=O)[O-])[nH]2)c2ncc[nH]2)c1 ZINC001599640657 994353588 /nfs/dbraw/zinc/35/35/88/994353588.db2.gz MXJBFOWDBCJIEM-GXDHUFHOSA-N -1 0 337.335 2.868 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc(CC#N)c2)c1 ZINC001599650169 994486776 /nfs/dbraw/zinc/48/67/76/994486776.db2.gz SXRCWTYSLNXBKW-QGZVFWFLSA-N -1 0 338.363 2.659 20 30 EFEDRM COc1cccc(C[C@@H](NC(=O)CC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC001599669883 994792504 /nfs/dbraw/zinc/79/25/04/994792504.db2.gz ZSYVIZKEVICLAY-MRXNPFEDSA-N -1 0 344.411 2.671 20 30 EFEDRM COC(=O)[C@@H](Sc1cc(C#N)ccn1)c1cccc(C(=O)[O-])c1 ZINC001598712646 995365708 /nfs/dbraw/zinc/36/57/08/995365708.db2.gz RCEIKPVMSHDWKF-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593517558 995554937 /nfs/dbraw/zinc/55/49/37/995554937.db2.gz WEBYMNKBUZJZPG-JSGCOSHPSA-N -1 0 331.368 2.686 20 30 EFEDRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)C(=O)Nc1ccccc1C#N ZINC001593579181 995693372 /nfs/dbraw/zinc/69/33/72/995693372.db2.gz VDPSLQAAOGWBPH-VIFPVBQESA-N -1 0 344.348 2.502 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593612739 995817432 /nfs/dbraw/zinc/81/74/32/995817432.db2.gz ZELUKKBRIKGULS-YJYMSZOUSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001593641266 995950609 /nfs/dbraw/zinc/95/06/09/995950609.db2.gz BZMUJSCKDTUUDF-QWRGUYRKSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@H](S[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC001593658405 996031236 /nfs/dbraw/zinc/03/12/36/996031236.db2.gz FAOXOGWPOFXBRD-WFASDCNBSA-N -1 0 332.425 2.818 20 30 EFEDRM C[C@@H](Sc1nc2ccccc2s1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001593679871 996104015 /nfs/dbraw/zinc/10/40/15/996104015.db2.gz RXTWKDXGXOYSKD-SNVBAGLBSA-N -1 0 349.437 2.604 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC001593690160 996135460 /nfs/dbraw/zinc/13/54/60/996135460.db2.gz PCETYFRZZSWMPN-SCLBCKFNSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(CC#N)CCC(=O)[O-] ZINC001593737521 996336315 /nfs/dbraw/zinc/33/63/15/996336315.db2.gz IASGXNDJEMMTEK-SNVBAGLBSA-N -1 0 334.763 2.751 20 30 EFEDRM C[C@]1(C#N)CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001593742577 996361189 /nfs/dbraw/zinc/36/11/89/996361189.db2.gz AZIPZYVCKMEOQL-CYBMUJFWSA-N -1 0 327.178 2.866 20 30 EFEDRM CC1(C#N)CN(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001593743099 996365558 /nfs/dbraw/zinc/36/55/58/996365558.db2.gz JRIKVXVUIRVLKB-UHFFFAOYSA-N -1 0 338.161 2.525 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001593743397 996367725 /nfs/dbraw/zinc/36/77/25/996367725.db2.gz WVKXZLJQJZPFPG-CQSZACIVSA-N -1 0 337.173 2.523 20 30 EFEDRM COC(=O)COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001598867042 996713602 /nfs/dbraw/zinc/71/36/02/996713602.db2.gz YUVOLTCKVQCQBS-WCIBSUBMSA-N -1 0 340.331 2.833 20 30 EFEDRM CC1(C)CCC[C@@](NC(=O)c2ccccc2OCC#N)(C(=O)[O-])C1 ZINC001593892424 996741146 /nfs/dbraw/zinc/74/11/46/996741146.db2.gz MUXWNTLUGMXVBU-SFHVURJKSA-N -1 0 330.384 2.742 20 30 EFEDRM CC1(C)CCC[C@@](NC(=O)Cc2ccccc2CC#N)(C(=O)[O-])C1 ZINC001593892746 996742820 /nfs/dbraw/zinc/74/28/20/996742820.db2.gz VZVRQMGHNZPOCE-IBGZPJMESA-N -1 0 328.412 2.835 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OCc1c(C#N)cccc1[N+](=O)[O-] ZINC001599380118 996821773 /nfs/dbraw/zinc/82/17/73/996821773.db2.gz WSXOYZNGGJLEAM-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM CC1(C)CCc2sc(NC(=O)c3cc(C(=O)[O-])on3)c(C#N)c21 ZINC001593924551 996851066 /nfs/dbraw/zinc/85/10/66/996851066.db2.gz NQQZSMNZDOYOTO-UHFFFAOYSA-N -1 0 331.353 2.782 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(C#N)cc2)c1F ZINC001599488262 996891704 /nfs/dbraw/zinc/89/17/04/996891704.db2.gz XBPNXQQGNBNJER-UHFFFAOYSA-N -1 0 342.326 2.975 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2cccc(C#N)c2)c1F ZINC001599489147 996907441 /nfs/dbraw/zinc/90/74/41/996907441.db2.gz HIRSOAWQNAYZAI-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(C#N)c2C)c1F ZINC001599490655 996932743 /nfs/dbraw/zinc/93/27/43/996932743.db2.gz VLWGTSMTUPDMJC-UHFFFAOYSA-N -1 0 328.299 2.965 20 30 EFEDRM COCc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc(C(=O)[O-])c1 ZINC001599285877 996977405 /nfs/dbraw/zinc/97/74/05/996977405.db2.gz RKIDUTVTWJHQFH-LLVKDONJSA-N -1 0 331.372 2.687 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)CCCCCC#N)CC2 ZINC001599493736 996985085 /nfs/dbraw/zinc/98/50/85/996985085.db2.gz GJTZHLBMOGCFJM-UHFFFAOYSA-N -1 0 330.384 2.752 20 30 EFEDRM COCc1cc(NC(=O)NCC2CCC(C#N)CC2)cc(C(=O)[O-])c1 ZINC001599287375 997002461 /nfs/dbraw/zinc/00/24/61/997002461.db2.gz MAJCETOQTQFNBE-UHFFFAOYSA-N -1 0 345.399 2.983 20 30 EFEDRM COCc1cc(NC(=O)c2ccccc2OCC#N)cc(C(=O)[O-])c1 ZINC001599288673 997025384 /nfs/dbraw/zinc/02/53/84/997025384.db2.gz LFJGAFUFHOIZFD-UHFFFAOYSA-N -1 0 340.335 2.686 20 30 EFEDRM COCc1cc(NCCOc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599289645 997041529 /nfs/dbraw/zinc/04/15/29/997041529.db2.gz KLZJECFQDWDZOY-UHFFFAOYSA-N -1 0 326.352 2.894 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CC#Cc2ccccc2)cc1 ZINC001599510856 997295966 /nfs/dbraw/zinc/29/59/66/997295966.db2.gz PWTHOWCWLJGHSH-SFHVURJKSA-N -1 0 337.375 2.769 20 30 EFEDRM COc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)cc(Cl)c1OC ZINC001599407346 997346145 /nfs/dbraw/zinc/34/61/45/997346145.db2.gz PTGFNZWYLUKAJJ-UHFFFAOYSA-N -1 0 338.791 2.548 20 30 EFEDRM COc1cc(CNC(=O)Nc2cccc(CC#N)c2)ccc1C(=O)[O-] ZINC001599412198 997442636 /nfs/dbraw/zinc/44/26/36/997442636.db2.gz LAZYPEOKQOSAGS-UHFFFAOYSA-N -1 0 339.351 2.781 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2C)ccc1C#N ZINC001599413005 997457410 /nfs/dbraw/zinc/45/74/10/997457410.db2.gz XIEVORHRKDVUCU-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)C(=O)[O-])cc1 ZINC001599523405 997519170 /nfs/dbraw/zinc/51/91/70/997519170.db2.gz SVARJGXLFOOBND-MRXNPFEDSA-N -1 0 349.346 2.604 20 30 EFEDRM COc1ccc([C@@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])cc1O ZINC001599525711 997553834 /nfs/dbraw/zinc/55/38/34/997553834.db2.gz AWIUUUWIMSFRTP-QGZVFWFLSA-N -1 0 345.782 2.821 20 30 EFEDRM CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599113147 997605708 /nfs/dbraw/zinc/60/57/08/997605708.db2.gz RFKYFUGSHZUVJF-XGWLTEMNSA-N -1 0 331.368 2.822 20 30 EFEDRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599113145 997605906 /nfs/dbraw/zinc/60/59/06/997605906.db2.gz RFKYFUGSHZUVJF-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM COC(=O)c1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C ZINC001598928515 997696867 /nfs/dbraw/zinc/69/68/67/997696867.db2.gz PXJPTXPYEMKNHO-INIZCTEOSA-N -1 0 342.351 2.504 20 30 EFEDRM COC(=O)c1cc(CN(CCC#N)CCC(C)C)cc(C(=O)[O-])c1 ZINC001598929505 997717013 /nfs/dbraw/zinc/71/70/13/997717013.db2.gz NEJRAUVVPBNQBX-UHFFFAOYSA-N -1 0 332.400 2.933 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)c(C(=O)[O-])cc1OC ZINC001599436170 997849935 /nfs/dbraw/zinc/84/99/35/997849935.db2.gz XJOADCKJBSKWFO-KRWDZBQOSA-N -1 0 347.371 2.560 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cc1cccc(C#N)c1 ZINC001599541672 997854017 /nfs/dbraw/zinc/85/40/17/997854017.db2.gz DRWIQVXDBLPWOJ-VURMDHGXSA-N -1 0 337.331 2.813 20 30 EFEDRM COCCN(C)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599232233 997882680 /nfs/dbraw/zinc/88/26/80/997882680.db2.gz PQLXKOWEZOWWPI-UHFFFAOYSA-N -1 0 342.395 2.876 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)c(OC)c1OC ZINC001599544812 997905359 /nfs/dbraw/zinc/90/53/59/997905359.db2.gz ZVZOMOOKEGUXMP-GQCTYLIASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1ccc(C=CC(=O)[O-])cc1OCC(=O)c1ccc(C#N)cc1 ZINC001599545854 997921474 /nfs/dbraw/zinc/92/14/74/997921474.db2.gz RMHXQOVYGPUBMM-WEVVVXLNSA-N -1 0 337.331 2.926 20 30 EFEDRM CO[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599130001 997925160 /nfs/dbraw/zinc/92/51/60/997925160.db2.gz HAMPXNHQBRYARL-ZBFHGGJFSA-N -1 0 341.329 2.621 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C#N)c(C)n1 ZINC001599546511 997932264 /nfs/dbraw/zinc/93/22/64/997932264.db2.gz OYSRWTQZUBYMHS-XBXARRHUSA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1C(=O)[O-] ZINC001599441269 997933357 /nfs/dbraw/zinc/93/33/57/997933357.db2.gz XBPPNWCOWUVULO-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COCCN(CCC#N)Cc1cc(Br)ccc1C(=O)[O-] ZINC001599235542 997938736 /nfs/dbraw/zinc/93/87/36/997938736.db2.gz BEAMAVMCDLXTQD-UHFFFAOYSA-N -1 0 341.205 2.509 20 30 EFEDRM COCCN(CCC#N)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001599235807 997944193 /nfs/dbraw/zinc/94/41/93/997944193.db2.gz RSDQEVOQTZKFCR-UHFFFAOYSA-N -1 0 341.205 2.509 20 30 EFEDRM COc1cc(OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001599447327 998030202 /nfs/dbraw/zinc/03/02/02/998030202.db2.gz HZDHENVQPSGTJJ-JKSUJKDBSA-N -1 0 337.331 2.974 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599348039 998043601 /nfs/dbraw/zinc/04/36/01/998043601.db2.gz QXXVSNBLCMRPOE-LIRRHRJNSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1CNc1ccc(OCC(=O)[O-])cc1C ZINC001599348185 998046769 /nfs/dbraw/zinc/04/67/69/998046769.db2.gz ULFAJMXCLCBWPG-UHFFFAOYSA-N -1 0 326.352 2.951 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001599348971 998060135 /nfs/dbraw/zinc/06/01/35/998060135.db2.gz FBYJTYGNVBEGAP-YVEFUNNKSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599349051 998061544 /nfs/dbraw/zinc/06/15/44/998061544.db2.gz HINGSNQWGOEUFC-SFHVURJKSA-N -1 0 330.384 2.720 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599349096 998062180 /nfs/dbraw/zinc/06/21/80/998062180.db2.gz JTSXMDWIYKWESD-MRXNPFEDSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001599349533 998068912 /nfs/dbraw/zinc/06/89/12/998068912.db2.gz UHTSFXCRIGTOHG-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599350074 998076944 /nfs/dbraw/zinc/07/69/44/998076944.db2.gz ARZNUQIUULUAGX-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM COc1cc(OC)cc([C@@H](Sc2cc(C#N)ccn2)C(=O)[O-])c1 ZINC001599451380 998108453 /nfs/dbraw/zinc/10/84/53/998108453.db2.gz DCCUQXSITZJCIZ-OAHLLOKOSA-N -1 0 330.365 2.888 20 30 EFEDRM COC(=O)c1cc(OCCOc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001598949652 998124150 /nfs/dbraw/zinc/12/41/50/998124150.db2.gz NCXCYYWCXOKBLT-UHFFFAOYSA-N -1 0 341.319 2.501 20 30 EFEDRM COC(=O)c1cc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598951613 998163882 /nfs/dbraw/zinc/16/38/82/998163882.db2.gz JHBDGUXRNWPBLO-UHFFFAOYSA-N -1 0 342.263 2.744 20 30 EFEDRM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CC#Cc1ccccc1 ZINC001594132528 998354097 /nfs/dbraw/zinc/35/40/97/998354097.db2.gz MTJUOAPGZCWAGL-ZDUSSCGKSA-N -1 0 348.358 2.500 20 30 EFEDRM COc1ccc(CNC(=S)Nc2ccccc2C#N)cc1C(=O)[O-] ZINC001599571519 998372533 /nfs/dbraw/zinc/37/25/33/998372533.db2.gz CRLLFVGIXIFVIB-UHFFFAOYSA-N -1 0 341.392 2.752 20 30 EFEDRM COc1ccc(-c2ccc(N3CCC(C(=O)[O-])CC3)nc2)c(C#N)c1 ZINC001599468560 998407737 /nfs/dbraw/zinc/40/77/37/998407737.db2.gz DJRLCLSKTQBZJI-UHFFFAOYSA-N -1 0 337.379 2.930 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC001599371160 998411820 /nfs/dbraw/zinc/41/18/20/998411820.db2.gz PJRFEVQWDXSCAB-NSHDSACASA-N -1 0 340.335 2.671 20 30 EFEDRM COc1ccc(COc2c(CC(=O)[O-])cccc2OC)cc1C#N ZINC001599574883 998426570 /nfs/dbraw/zinc/42/65/70/998426570.db2.gz AQNUTUQCSHVTAU-UHFFFAOYSA-N -1 0 327.336 2.782 20 30 EFEDRM COc1ccc(C#N)cc1COc1ccccc1[C@@H](OC)C(=O)[O-] ZINC001599476577 998542560 /nfs/dbraw/zinc/54/25/60/998542560.db2.gz FRYUMAAHPYPORP-QGZVFWFLSA-N -1 0 327.336 2.918 20 30 EFEDRM COc1ccc(F)cc1-c1cncc(CN(CC#N)CCC(=O)[O-])c1 ZINC001599582221 998550402 /nfs/dbraw/zinc/55/04/02/998550402.db2.gz OXCPXEMVKRWKBU-UHFFFAOYSA-N -1 0 343.358 2.697 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001594156177 998566793 /nfs/dbraw/zinc/56/67/93/998566793.db2.gz JGBSDDOONUYTBG-KDOFPFPSSA-N -1 0 349.390 2.808 20 30 EFEDRM COC(=O)c1ccc(NCCCC2(C#N)CCOCC2)cc1C(=O)[O-] ZINC001598984750 998690360 /nfs/dbraw/zinc/69/03/60/998690360.db2.gz YTZXJDPMSIFYMU-UHFFFAOYSA-N -1 0 346.383 2.684 20 30 EFEDRM COC(=O)c1cccc([C@H](Sc2ccc(C#N)cn2)C(=O)[O-])c1 ZINC001598992593 998751516 /nfs/dbraw/zinc/75/15/16/998751516.db2.gz ASLNMFSWIWSKJY-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccc(CNc2ccc(OC)cc2C(=O)[O-])c1C#N ZINC001598993818 998760854 /nfs/dbraw/zinc/76/08/54/998760854.db2.gz JAHWJNZHIYONLS-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1ccc(C(=O)[O-])nc1C#N ZINC001599064665 999290482 /nfs/dbraw/zinc/29/04/82/999290482.db2.gz YSLXSVCOHQBXGZ-QLJPJBMISA-N -1 0 329.331 2.979 20 30 EFEDRM C[C@H]1CCCc2ncc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)n21 ZINC001594389506 999476021 /nfs/dbraw/zinc/47/60/21/999476021.db2.gz ZTOXHCZEUKWHOW-NSHDSACASA-N -1 0 339.351 2.707 20 30 EFEDRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594444841 999636029 /nfs/dbraw/zinc/63/60/29/999636029.db2.gz BICFQBBHICULPH-BBRMVZONSA-N -1 0 341.411 2.710 20 30 EFEDRM CC#CC[C@@H](NCc1cnc(CCc2ccccc2)s1)C(=O)[O-] ZINC001119615676 1126148096 /nfs/dbraw/zinc/14/80/96/1126148096.db2.gz OXXGVIKIUZAVPR-MRXNPFEDSA-N -1 0 328.437 2.885 20 30 EFEDRM C#CCN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001573464027 1087795927 /nfs/dbraw/zinc/79/59/27/1087795927.db2.gz ZLZFGYUNKSBWSW-QGZVFWFLSA-N -1 0 328.412 2.964 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@](C)(CC)C1 ZINC001646701628 1088111822 /nfs/dbraw/zinc/11/18/22/1088111822.db2.gz QCXOQECEDAQVDU-KRWDZBQOSA-N -1 0 326.404 2.564 20 30 EFEDRM C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC001575445030 1088472802 /nfs/dbraw/zinc/47/28/02/1088472802.db2.gz PPLUKZNTZDKSGX-VIFPVBQESA-N -1 0 348.395 2.916 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC001647140197 1088982819 /nfs/dbraw/zinc/98/28/19/1088982819.db2.gz KPFSCUZZVNAQOD-HNNXBMFYSA-N -1 0 346.383 2.696 20 30 EFEDRM Cc1c(Cl)cccc1C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001647164135 1089022314 /nfs/dbraw/zinc/02/23/14/1089022314.db2.gz NWCSRKRDIJOKEV-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001581874539 1091328692 /nfs/dbraw/zinc/32/86/92/1091328692.db2.gz VTOQNKKJRWKGSX-SNVBAGLBSA-N -1 0 343.803 2.948 20 30 EFEDRM N#Cc1nc(SCc2cccc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581881271 1091331411 /nfs/dbraw/zinc/33/14/11/1091331411.db2.gz SWTHSMNZFSXJPA-UHFFFAOYSA-N -1 0 345.391 2.974 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2sccc2Br)C(=O)O1 ZINC000588467707 1092233304 /nfs/dbraw/zinc/23/33/04/1092233304.db2.gz JIFHJLLRXSNPFO-ZZKXABKFSA-N -1 0 341.182 2.739 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(OCC#N)cc1 ZINC001649704976 1092604428 /nfs/dbraw/zinc/60/44/28/1092604428.db2.gz SFDUKLUDPYCJBE-UHFFFAOYSA-N -1 0 348.428 2.784 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001649732691 1092633120 /nfs/dbraw/zinc/63/31/20/1092633120.db2.gz UXDQTFQMGCOSQV-SOUVJXGZSA-N -1 0 346.452 2.970 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001649793361 1092683233 /nfs/dbraw/zinc/68/32/33/1092683233.db2.gz PZBQCLNEZMSORJ-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM C=C1CC(C)(C(=O)N2CCC(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001588448828 1092947893 /nfs/dbraw/zinc/94/78/93/1092947893.db2.gz FUABZPPJQLPSHI-UHFFFAOYSA-N -1 0 337.427 2.929 20 30 EFEDRM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001588443405 1092948196 /nfs/dbraw/zinc/94/81/96/1092948196.db2.gz ZXCXVZVWLRZPEZ-UHFFFAOYSA-N -1 0 336.355 2.959 20 30 EFEDRM C=C[C@H](C(=O)N1CCc2c1cccc2-c1nn[nH]n1)c1ccccc1 ZINC001588467136 1092948852 /nfs/dbraw/zinc/94/88/52/1092948852.db2.gz CYKQGKNEYRTCNY-AWEZNQCLSA-N -1 0 331.379 2.726 20 30 EFEDRM C=C[C@@H](C(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC001588468823 1092950373 /nfs/dbraw/zinc/95/03/73/1092950373.db2.gz XSJPNYFEZPCXLV-OAHLLOKOSA-N -1 0 337.358 2.592 20 30 EFEDRM C=C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588467925 1092950580 /nfs/dbraw/zinc/95/05/80/1092950580.db2.gz NRBHMYRIAUHFJL-QGZVFWFLSA-N -1 0 333.395 2.795 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001588487493 1092950814 /nfs/dbraw/zinc/95/08/14/1092950814.db2.gz SUQKQUOVOHLIFB-UHFFFAOYSA-N -1 0 334.811 2.637 20 30 EFEDRM C=CC[C@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC001588540850 1092955133 /nfs/dbraw/zinc/95/51/33/1092955133.db2.gz GOLHTSJWZYISFW-LBPRGKRZSA-N -1 0 340.387 2.643 20 30 EFEDRM C=CCC1(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCOCC1 ZINC001588557617 1092961146 /nfs/dbraw/zinc/96/11/46/1092961146.db2.gz QCINKBVKRAHGHD-UHFFFAOYSA-N -1 0 345.407 2.749 20 30 EFEDRM C=CCCCCSCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001588601625 1092967793 /nfs/dbraw/zinc/96/77/93/1092967793.db2.gz RAIGFFIGNSWNMP-UHFFFAOYSA-N -1 0 331.445 2.572 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001588881726 1093000342 /nfs/dbraw/zinc/00/03/42/1093000342.db2.gz FKJPTGQAQXGBLI-YFHOEESVSA-N -1 0 333.351 2.721 20 30 EFEDRM CC(C)Sc1ccc([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001650225504 1093042701 /nfs/dbraw/zinc/04/27/01/1093042701.db2.gz AWNAUJPIURHJQC-NSHDSACASA-N -1 0 344.440 2.619 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)cc2F)o1 ZINC001589237737 1093054993 /nfs/dbraw/zinc/05/49/93/1093054993.db2.gz DVZLFZINVXJHHX-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM CC(C)[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CCO1 ZINC001589499065 1093093997 /nfs/dbraw/zinc/09/39/97/1093093997.db2.gz HLXKLZVDVJCADY-SWLSCSKDSA-N -1 0 326.404 2.601 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001650296558 1093120558 /nfs/dbraw/zinc/12/05/58/1093120558.db2.gz GHWOIEOTQFGTPM-DOMZBBRYSA-N -1 0 340.431 2.952 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)o2)o1 ZINC001589664828 1093122705 /nfs/dbraw/zinc/12/27/05/1093122705.db2.gz YEABDUDWJWBWHX-UHFFFAOYSA-N -1 0 335.755 2.746 20 30 EFEDRM CCC[C@H]1CCCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001650297989 1093122885 /nfs/dbraw/zinc/12/28/85/1093122885.db2.gz KOFFICYHBDOEFR-AWEZNQCLSA-N -1 0 326.404 2.706 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001650298900 1093123626 /nfs/dbraw/zinc/12/36/26/1093123626.db2.gz OPNAZWNGNJFYPG-JTQLQIEISA-N -1 0 348.357 2.561 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCC(C)(C)[C@H]2CCCCO2)o1 ZINC001589773948 1093142692 /nfs/dbraw/zinc/14/26/92/1093142692.db2.gz QKYISZYDDYZOLR-LLVKDONJSA-N -1 0 347.423 2.971 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3cccnc32)o1 ZINC001589773728 1093142801 /nfs/dbraw/zinc/14/28/01/1093142801.db2.gz KOUJSJSXTHZROZ-UHFFFAOYSA-N -1 0 338.375 2.526 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001650321025 1093150820 /nfs/dbraw/zinc/15/08/20/1093150820.db2.gz LBHZCNPFBAUDLC-NVXWUHKLSA-N -1 0 341.411 2.974 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccccc2Cl)o1 ZINC001589899366 1093171664 /nfs/dbraw/zinc/17/16/64/1093171664.db2.gz ICWUSIUHLUKWFZ-UHFFFAOYSA-N -1 0 331.767 2.847 20 30 EFEDRM C[C@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589914843 1093178476 /nfs/dbraw/zinc/17/84/76/1093178476.db2.gz VOZWFQPXVSIOEV-HLGUWXJESA-N -1 0 338.327 2.661 20 30 EFEDRM C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1csc2ccccc12 ZINC001589988217 1093211485 /nfs/dbraw/zinc/21/14/85/1093211485.db2.gz WYEMQEVWBQYYTH-SECBINFHSA-N -1 0 348.395 2.916 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC000176515098 1093295284 /nfs/dbraw/zinc/29/52/84/1093295284.db2.gz XQVXNLVHURQVOQ-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM CCc1ccc(C(CC)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001590359168 1093390578 /nfs/dbraw/zinc/39/05/78/1093390578.db2.gz QXPWDBPXFOENOL-UHFFFAOYSA-N -1 0 325.376 2.952 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001590441454 1093422249 /nfs/dbraw/zinc/42/22/49/1093422249.db2.gz MPDZSULXOVOZSK-LLVKDONJSA-N -1 0 339.189 2.550 20 30 EFEDRM CCCCCCN(O)C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001590594484 1093505229 /nfs/dbraw/zinc/50/52/29/1093505229.db2.gz NHARENKZICPKTG-UHFFFAOYSA-N -1 0 347.419 2.822 20 30 EFEDRM CCCCCCN(O)C(=O)c1[nH]c2ccccc2c1-c1nn[nH]n1 ZINC001590594953 1093506598 /nfs/dbraw/zinc/50/65/98/1093506598.db2.gz YAPNHQYYYWZTCX-UHFFFAOYSA-N -1 0 328.376 2.760 20 30 EFEDRM CCCCOc1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001590612467 1093515118 /nfs/dbraw/zinc/51/51/18/1093515118.db2.gz FKMPWQYRBYIGBA-UHFFFAOYSA-N -1 0 341.375 2.788 20 30 EFEDRM COc1ccc(F)cc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001591605981 1093792542 /nfs/dbraw/zinc/79/25/42/1093792542.db2.gz JCVQBJAUHYSLMC-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCSc1ccc(C)c(C)c1 ZINC001592198791 1094027461 /nfs/dbraw/zinc/02/74/61/1094027461.db2.gz YGYPMJWEDGRXLB-UHFFFAOYSA-N -1 0 339.428 2.652 20 30 EFEDRM Cc1ccsc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001592285614 1094065710 /nfs/dbraw/zinc/06/57/10/1094065710.db2.gz QYXUURRGZYOGBY-UHFFFAOYSA-N -1 0 331.405 2.869 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCc1c(Cl)cccc1Cl ZINC001592334936 1094079392 /nfs/dbraw/zinc/07/93/92/1094079392.db2.gz HYDZNAJILXBXCS-UHFFFAOYSA-N -1 0 348.197 2.793 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCc1cc(Cl)cc(Cl)c1 ZINC001592335257 1094079741 /nfs/dbraw/zinc/07/97/41/1094079741.db2.gz PESNYYQOMBIOEV-UHFFFAOYSA-N -1 0 348.197 2.793 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1C/C=C\c1ccc(Cl)cc1 ZINC001592335158 1094080498 /nfs/dbraw/zinc/08/04/98/1094080498.db2.gz MTNABTYJKSZDNK-IHWYPQMZSA-N -1 0 325.763 2.610 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(C(F)(F)F)cc2)o1 ZINC001592338834 1094080848 /nfs/dbraw/zinc/08/08/48/1094080848.db2.gz QIMAOSKZFKBMDM-UHFFFAOYSA-N -1 0 337.265 2.628 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CC[C@@H](Cc3ccccc3)C2)o1 ZINC001592337030 1094081362 /nfs/dbraw/zinc/08/13/62/1094081362.db2.gz NBIXGXOTVNQKOQ-ZDUSSCGKSA-N -1 0 337.387 2.974 20 30 EFEDRM Cc1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)c(C)n1CC(C)C ZINC001592339176 1094081697 /nfs/dbraw/zinc/08/16/97/1094081697.db2.gz XUZDXTIHXSHITA-UHFFFAOYSA-N -1 0 342.407 2.683 20 30 EFEDRM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)s1)c1nc(C2CC2)cs1 ZINC001592665655 1094173124 /nfs/dbraw/zinc/17/31/24/1094173124.db2.gz QNAJPAKZWZTIRW-MRVPVSSYSA-N -1 0 342.409 2.752 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)o1)CCCC2 ZINC001592686097 1094176493 /nfs/dbraw/zinc/17/64/93/1094176493.db2.gz FETRGJGXRNTKMR-UHFFFAOYSA-N -1 0 340.368 2.524 20 30 EFEDRM N#Cc1nc(S[C@H]2CCCc3ccccc32)cnc1-c1nnn[n-]1 ZINC001592707426 1094182943 /nfs/dbraw/zinc/18/29/43/1094182943.db2.gz CNBUOXBUBAOJEW-ZDUSSCGKSA-N -1 0 335.396 2.698 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC001593284222 1094264860 /nfs/dbraw/zinc/26/48/60/1094264860.db2.gz YMSLKUQCMFZZRO-SNAWJCMRSA-N -1 0 326.337 2.523 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(O)cc(O)c1 ZINC000588594705 1094303101 /nfs/dbraw/zinc/30/31/01/1094303101.db2.gz NCOIDVSYRNWHKB-RQOWECAXSA-N -1 0 330.252 2.810 20 30 EFEDRM Cc1ccc2c(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)csc2c1 ZINC000796850351 1094556759 /nfs/dbraw/zinc/55/67/59/1094556759.db2.gz KAEHKVOOTXZSBR-UHFFFAOYSA-N -1 0 348.449 2.963 20 30 EFEDRM CCc1ccc(C=NOCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001597520564 1094596277 /nfs/dbraw/zinc/59/62/77/1094596277.db2.gz YTNXHIXBXGWGPX-UHFFFAOYSA-N -1 0 332.400 2.503 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1OCC(=O)[O-] ZINC000209989672 1094633230 /nfs/dbraw/zinc/63/32/30/1094633230.db2.gz MSQNPRFJRWUVBU-WAPJZHGLSA-N -1 0 328.320 2.760 20 30 EFEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C#N ZINC001213191504 1094648860 /nfs/dbraw/zinc/64/88/60/1094648860.db2.gz CFZFMGHQRHKXJL-UHFFFAOYSA-N -1 0 334.335 2.977 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)c2ccccc2SCC#N)n1C ZINC001599992837 1094706986 /nfs/dbraw/zinc/70/69/86/1094706986.db2.gz KNXXTYMIXCZNAU-UHFFFAOYSA-N -1 0 343.408 2.577 20 30 EFEDRM Cc1c2cc(C(=O)/C=C\c3cnn(C)c3)cnc2sc1C(=O)[O-] ZINC001600004872 1094714312 /nfs/dbraw/zinc/71/43/12/1094714312.db2.gz FZXMNTZSZQSJFK-ARJAWSKDSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cnn1CCC#N ZINC001600007487 1094717672 /nfs/dbraw/zinc/71/76/72/1094717672.db2.gz QWYVZBCIRYJKSX-LBPRGKRZSA-N -1 0 327.340 2.721 20 30 EFEDRM Cc1c(NC(=O)NCCCC#N)ccc(Br)c1C(=O)[O-] ZINC001600042689 1094737745 /nfs/dbraw/zinc/73/77/45/1094737745.db2.gz HOWZPVJMUDHFLA-UHFFFAOYSA-N -1 0 340.177 2.881 20 30 EFEDRM Cc1c(NC(=O)c2cc(C#N)c[nH]2)cc(Br)cc1C(=O)[O-] ZINC001600045262 1094739219 /nfs/dbraw/zinc/73/92/19/1094739219.db2.gz ARHOXQKBMJOBTG-UHFFFAOYSA-N -1 0 348.156 2.908 20 30 EFEDRM Cc1c(NC(=O)c2cccc(CC#N)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046235 1094740423 /nfs/dbraw/zinc/74/04/23/1094740423.db2.gz HOXWOIHVNOEYTK-UHFFFAOYSA-N -1 0 339.307 2.920 20 30 EFEDRM Cc1c(NS(=O)(=O)c2ccc(CC#N)cc2)ccc(F)c1C(=O)[O-] ZINC001600054479 1094743051 /nfs/dbraw/zinc/74/30/51/1094743051.db2.gz BTXRSZCVHLCMPG-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM Cc1c(Nc2cc(Br)ccc2C#N)cnn1CC(=O)[O-] ZINC001600056504 1094743214 /nfs/dbraw/zinc/74/32/14/1094743214.db2.gz FABFAFPWDYSZCN-UHFFFAOYSA-N -1 0 335.161 2.654 20 30 EFEDRM Cc1c(NCCO[C@@H](C)C#N)ccc(Br)c1C(=O)[O-] ZINC001600053177 1094743844 /nfs/dbraw/zinc/74/38/44/1094743844.db2.gz RTBWXNYNGOHCDV-QMMMGPOBSA-N -1 0 327.178 2.796 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N[C@H](C)CC#N ZINC001600069246 1094750332 /nfs/dbraw/zinc/75/03/32/1094750332.db2.gz JSPJYHNOBQQKQF-MRVPVSSYSA-N -1 0 340.177 2.879 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001600074153 1094753081 /nfs/dbraw/zinc/75/30/81/1094753081.db2.gz PLIHOMKRQWFXBN-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001600075053 1094753456 /nfs/dbraw/zinc/75/34/56/1094753456.db2.gz GPCMILFLCDIYLQ-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001600074083 1094753641 /nfs/dbraw/zinc/75/36/41/1094753641.db2.gz LTWRWUOEKIEGOA-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N2CCc3ccc(C(=O)[O-])nc3C2)c1 ZINC001600074060 1094753711 /nfs/dbraw/zinc/75/37/11/1094753711.db2.gz KOAURDJOYVLDQX-UHFFFAOYSA-N -1 0 336.351 2.550 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001600074262 1094753961 /nfs/dbraw/zinc/75/39/61/1094753961.db2.gz VHDFZVQXPCSWIS-YESZJQIVSA-N -1 0 326.396 2.972 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001600074412 1094754105 /nfs/dbraw/zinc/75/41/05/1094754105.db2.gz CRXCGIJOYCBUSN-OXQOHEQNSA-N -1 0 340.423 2.821 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001600076179 1094754792 /nfs/dbraw/zinc/75/47/92/1094754792.db2.gz MXBFGGZEYZRJTP-JKSUJKDBSA-N -1 0 341.411 2.757 20 30 EFEDRM Cc1cc(C(=O)[O-])c2c(n1)nc(S[C@H]1CC[C@@H](C#N)C1)[nH]c2=O ZINC001600106529 1094773995 /nfs/dbraw/zinc/77/39/95/1094773995.db2.gz OXQXZJKROYEGDS-BDAKNGLRSA-N -1 0 330.369 2.521 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC001600109626 1094776710 /nfs/dbraw/zinc/77/67/10/1094776710.db2.gz VRNWQRDSXAOGTA-FQEVSTJZSA-N -1 0 334.375 2.874 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(OCC#N)c1 ZINC001600122566 1094784659 /nfs/dbraw/zinc/78/46/59/1094784659.db2.gz JXQAHZGGHCWIAZ-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC001600123237 1094786346 /nfs/dbraw/zinc/78/63/46/1094786346.db2.gz BXPKAIJYKIYMMC-UHFFFAOYSA-N -1 0 329.400 2.790 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])[C@@H](C)c2ccccc2F)ncc1C#N ZINC001600133899 1094793724 /nfs/dbraw/zinc/79/37/24/1094793724.db2.gz AKMUWKGSKVSMEX-ZBEGNZNMSA-N -1 0 342.326 2.815 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])ccc1F ZINC001600146248 1094803819 /nfs/dbraw/zinc/80/38/19/1094803819.db2.gz BZNCUNXOOHFOII-HNNXBMFYSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1cc(C)c(C(=O)CCCC(=O)N(CC#N)CCC(=O)[O-])c(C)c1 ZINC001600147379 1094805861 /nfs/dbraw/zinc/80/58/61/1094805861.db2.gz RDPQIVXQZJVDNE-UHFFFAOYSA-N -1 0 344.411 2.792 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2cc(C#N)ccc2C)C(=O)[O-])ccc1F ZINC001600150719 1094812086 /nfs/dbraw/zinc/81/20/86/1094812086.db2.gz PKFRFROHAMYIAO-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(/C=C2/CCn3nccc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001600186393 1094852325 /nfs/dbraw/zinc/85/23/25/1094852325.db2.gz MUNIASXIPSOVSZ-ZROIWOOFSA-N -1 0 326.352 2.633 20 30 EFEDRM Cc1cc(CCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1Cl ZINC001600187824 1094852605 /nfs/dbraw/zinc/85/26/05/1094852605.db2.gz ICOHIALCEUJNEE-UHFFFAOYSA-N -1 0 349.818 2.591 20 30 EFEDRM Cc1cc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1C#N ZINC001600191702 1094858147 /nfs/dbraw/zinc/85/81/47/1094858147.db2.gz NNWCQEGAIKXIDZ-KRWDZBQOSA-N -1 0 326.327 2.858 20 30 EFEDRM Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001600194435 1094862337 /nfs/dbraw/zinc/86/23/37/1094862337.db2.gz HMZHIAZJFUNJLT-UHFFFAOYSA-N -1 0 335.407 2.887 20 30 EFEDRM Cc1cc(CNc2cnn(Cc3ccc(C#N)cc3)c2)[nH]c1C(=O)[O-] ZINC001600212381 1094890985 /nfs/dbraw/zinc/89/09/85/1094890985.db2.gz LYCHABAQNGZOSP-UHFFFAOYSA-N -1 0 335.367 2.750 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600223295 1094899089 /nfs/dbraw/zinc/89/90/89/1094899089.db2.gz BQIURZDULVDAKZ-NOBRSGAKSA-N -1 0 331.347 2.627 20 30 EFEDRM Cc1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)c(C#N)cc1N(C)C ZINC001600257926 1094920070 /nfs/dbraw/zinc/92/00/70/1094920070.db2.gz JNUAMEZRUZBGDT-UHFFFAOYSA-N -1 0 337.379 2.812 20 30 EFEDRM Cc1cc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)ncc1C(=O)[O-] ZINC001600268215 1094927943 /nfs/dbraw/zinc/92/79/43/1094927943.db2.gz DDQPWZPSYJRMMY-HNNXBMFYSA-N -1 0 336.351 2.769 20 30 EFEDRM Cc1cc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C#N)cc1N(C)C ZINC001600272682 1094933603 /nfs/dbraw/zinc/93/36/03/1094933603.db2.gz VOECTVMLESZKEI-UHFFFAOYSA-N -1 0 341.371 2.613 20 30 EFEDRM Cc1cc(OC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c(C)c(C)c1C#N ZINC001600285275 1094943803 /nfs/dbraw/zinc/94/38/03/1094943803.db2.gz HOPKOQSOSQBCMZ-DZGCQCFKSA-N -1 0 331.368 2.801 20 30 EFEDRM Cc1cc(OS(=O)(=O)Cc2ccc(C#N)cc2)c(C(=O)[O-])s1 ZINC001600292485 1094951164 /nfs/dbraw/zinc/95/11/64/1094951164.db2.gz PTSPEUMVEALYNR-UHFFFAOYSA-N -1 0 337.378 2.535 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001600328925 1094975496 /nfs/dbraw/zinc/97/54/96/1094975496.db2.gz IDSQIICKNWCDOG-CMDGGOBGSA-N -1 0 341.338 2.888 20 30 EFEDRM Cc1ccc(C#N)c(N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC001600327587 1094975926 /nfs/dbraw/zinc/97/59/26/1094975926.db2.gz KGYKXFUTIZEPBX-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1oc(CN(C)C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001600328510 1094976456 /nfs/dbraw/zinc/97/64/56/1094976456.db2.gz AAJWDVRLAUSTOE-CMDGGOBGSA-N -1 0 341.363 2.992 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001600329778 1094977730 /nfs/dbraw/zinc/97/77/30/1094977730.db2.gz YWSDHXSVXNGNID-DDWIBXPDSA-N -1 0 341.407 2.978 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC001600347451 1094990657 /nfs/dbraw/zinc/99/06/57/1094990657.db2.gz NGYPILQIRDOELV-LLVKDONJSA-N -1 0 340.335 2.677 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)Cc2ccccc2CC#N)C(=O)[O-])cc1 ZINC001600376195 1095014841 /nfs/dbraw/zinc/01/48/41/1095014841.db2.gz ONHYZUQAAGTPSR-SFHVURJKSA-N -1 0 336.391 2.588 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)c2cccc(F)c2C#N)C(=O)[O-])cc1 ZINC001600377013 1095016940 /nfs/dbraw/zinc/01/69/40/1095016940.db2.gz GXRHLBDZDHUESO-OAHLLOKOSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1ccc(C[C@H](SCC(=O)N[C@](C)(C#N)C2CC2)C(=O)[O-])cc1 ZINC001600403669 1095039265 /nfs/dbraw/zinc/03/92/65/1095039265.db2.gz GMZAZBQEQNNSRN-MAUKXSAKSA-N -1 0 346.452 2.532 20 30 EFEDRM Cc1ccc(C[C@@H](SCC(=O)N[C@@](C)(C#N)C2CC2)C(=O)[O-])cc1 ZINC001600403670 1095039615 /nfs/dbraw/zinc/03/96/15/1095039615.db2.gz GMZAZBQEQNNSRN-QAPCUYQASA-N -1 0 346.452 2.532 20 30 EFEDRM Cc1ccc(F)cc1NC(=O)C=NOCc1ccc(C(=O)[O-])cc1 ZINC001600430827 1095061710 /nfs/dbraw/zinc/06/17/10/1095061710.db2.gz WJBRDBLBHWBGRZ-UHFFFAOYSA-N -1 0 330.315 2.973 20 30 EFEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001600443033 1095069616 /nfs/dbraw/zinc/06/96/16/1095069616.db2.gz HBGPDEOLRHQGSO-SFHVURJKSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1ccc(N=NC2CCN(c3cnccn3)CC2)cc1C(=O)[O-] ZINC001600463359 1095086589 /nfs/dbraw/zinc/08/65/89/1095086589.db2.gz UHEVBCDQIYPUCE-UHFFFAOYSA-N -1 0 325.372 2.552 20 30 EFEDRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1C ZINC001600486068 1095101624 /nfs/dbraw/zinc/10/16/24/1095101624.db2.gz PHCIZCOVNDTUGU-JKSUJKDBSA-N -1 0 326.396 2.624 20 30 EFEDRM Cc1cccc([C@@H](CC(=O)[O-])/N=C/c2c(O)c(C)ncc2CO)c1 ZINC001600518888 1095129869 /nfs/dbraw/zinc/12/98/69/1095129869.db2.gz VCNIZMCGASVZHW-UGNSCYDZSA-N -1 0 328.368 2.531 20 30 EFEDRM Cc1cccc([C@H](OC(=O)COc2cccc(C#N)c2)C(=O)[O-])c1C ZINC001600521296 1095131634 /nfs/dbraw/zinc/13/16/34/1095131634.db2.gz WVGYMQAXFJLBGN-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])c1 ZINC001600526868 1095136534 /nfs/dbraw/zinc/13/65/34/1095136534.db2.gz ASEGVOYCLHIVCT-INIZCTEOSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1cccc(COCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001600534855 1095142499 /nfs/dbraw/zinc/14/24/99/1095142499.db2.gz QDRNOLCYBDAKQZ-SFHVURJKSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1C ZINC001600538185 1095145059 /nfs/dbraw/zinc/14/50/59/1095145059.db2.gz ZBQWFYZQARHRGD-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1cccc(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001600551567 1095156019 /nfs/dbraw/zinc/15/60/19/1095156019.db2.gz TUGCRUYPNFZVQO-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC001600555919 1095162020 /nfs/dbraw/zinc/16/20/20/1095162020.db2.gz RVSNEFVNJNTXNQ-AWEZNQCLSA-N -1 0 333.347 2.989 20 30 EFEDRM Cc1ccccc1OCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600586003 1095187828 /nfs/dbraw/zinc/18/78/28/1095187828.db2.gz TUOACBNWICZHGE-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccoc1C(=O)/C=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600606139 1095206515 /nfs/dbraw/zinc/20/65/15/1095206515.db2.gz NYAUJHDEUQWIGY-DUXPYHPUSA-N -1 0 331.280 2.856 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc(C(=O)[O-])oc1C ZINC001600610790 1095209366 /nfs/dbraw/zinc/20/93/66/1095209366.db2.gz NBFNSOWREZDFDJ-UHFFFAOYSA-N -1 0 337.339 2.659 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)ccc1C#N ZINC001600684466 1095257533 /nfs/dbraw/zinc/25/75/33/1095257533.db2.gz DHPPSWUPZXDFQX-UHFFFAOYSA-N -1 0 331.715 2.571 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccc(C#N)c(C)n3)ccc2n1C ZINC001600686305 1095257780 /nfs/dbraw/zinc/25/77/80/1095257780.db2.gz BAGGDZNLAGZSTR-UHFFFAOYSA-N -1 0 349.346 2.979 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)ccc1C#N ZINC001600684658 1095258003 /nfs/dbraw/zinc/25/80/03/1095258003.db2.gz PVXVOQGPRJLFTP-JTQLQIEISA-N -1 0 343.314 2.505 20 30 EFEDRM Cc1nc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001600686479 1095258896 /nfs/dbraw/zinc/25/88/96/1095258896.db2.gz KTGQDWHVFMUKQF-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1nc(C(=O)[O-])cn1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001600685626 1095258911 /nfs/dbraw/zinc/25/89/11/1095258911.db2.gz UJKBQEUUXPMYJE-UHFFFAOYSA-N -1 0 336.351 2.641 20 30 EFEDRM Cc1nc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])ccc1C#N ZINC001600686601 1095260109 /nfs/dbraw/zinc/26/01/09/1095260109.db2.gz TWKJUCMBWMHTTB-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001600691586 1095263331 /nfs/dbraw/zinc/26/33/31/1095263331.db2.gz KKGGUCLOCQTBSJ-HNNXBMFYSA-N -1 0 330.365 2.543 20 30 EFEDRM Cc1nc(C2CC2)oc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600693600 1095266303 /nfs/dbraw/zinc/26/63/03/1095266303.db2.gz FJRIKQKSWLWVPV-AWEZNQCLSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1nc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600705215 1095274617 /nfs/dbraw/zinc/27/46/17/1095274617.db2.gz GVYKXPWUJKSEDM-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1nc(NC[C@@H](Oc2ccccc2)C(=O)[O-])c(Cl)cc1C#N ZINC001600716462 1095285855 /nfs/dbraw/zinc/28/58/55/1095285855.db2.gz IUNPWJKQQIBFDT-CQSZACIVSA-N -1 0 331.759 2.859 20 30 EFEDRM Cc1nc2c(cccc2C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001600721497 1095287355 /nfs/dbraw/zinc/28/73/55/1095287355.db2.gz ZJJLYDSCPTZVQL-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1nc2ccc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)cc2n1C ZINC001600727706 1095294318 /nfs/dbraw/zinc/29/43/18/1095294318.db2.gz PHALIAKUPUPJFB-UHFFFAOYSA-N -1 0 349.346 2.809 20 30 EFEDRM Cc1ncc(CO)c(/C=N/C[C@@H](C(=O)[O-])C2CCCCCC2)c1O ZINC001600738239 1095298928 /nfs/dbraw/zinc/29/89/28/1095298928.db2.gz UEYOBEDRKCTHTQ-LEKRSAHOSA-N -1 0 334.416 2.678 20 30 EFEDRM Cc1ncc(CO)c(/C=N\C[C@H](C(=O)[O-])C2CCCCCC2)c1O ZINC001600738241 1095299303 /nfs/dbraw/zinc/29/93/03/1095299303.db2.gz UEYOBEDRKCTHTQ-SCPBCGJWSA-N -1 0 334.416 2.678 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CCCC[C@H]2CC(=O)[O-])c1C#N ZINC001600762005 1095315570 /nfs/dbraw/zinc/31/55/70/1095315570.db2.gz NAAIJXMFGNVOHK-INIZCTEOSA-N -1 0 338.411 2.882 20 30 EFEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3cc(C(=O)[O-])n(C)c3)cc12 ZINC001600775261 1095324158 /nfs/dbraw/zinc/32/41/58/1095324158.db2.gz NVWTXMDYKJIOCX-PLNGDYQASA-N -1 0 329.381 2.876 20 30 EFEDRM Cc1nn(CC(=O)[O-])c(C)c1CNc1ncc(C#N)c2ccsc21 ZINC001600781766 1095328845 /nfs/dbraw/zinc/32/88/45/1095328845.db2.gz FSTTUVFEGMWTPQ-UHFFFAOYSA-N -1 0 341.396 2.678 20 30 EFEDRM Cc1nnc(SCCOc2cccc(C(=O)[O-])c2)c(C#N)c1C ZINC001600799000 1095339280 /nfs/dbraw/zinc/33/92/80/1095339280.db2.gz CNTXCPQUFHIKQC-UHFFFAOYSA-N -1 0 329.381 2.834 20 30 EFEDRM Cc1nnc(N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(C#N)c1C ZINC001600798716 1095339485 /nfs/dbraw/zinc/33/94/85/1095339485.db2.gz WQOOGWVEWUTANX-BGMSHATGSA-N -1 0 332.429 2.506 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1C#N ZINC001600819815 1095352609 /nfs/dbraw/zinc/35/26/09/1095352609.db2.gz LKOFGYUFYLHBIX-LBPRGKRZSA-N -1 0 344.396 2.531 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001600821735 1095354402 /nfs/dbraw/zinc/35/44/02/1095354402.db2.gz HDWACBYUKGFGMY-OAHLLOKOSA-N -1 0 338.319 2.632 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001600821937 1095355257 /nfs/dbraw/zinc/35/52/57/1095355257.db2.gz LIJNYJJSESLJEO-UHFFFAOYSA-N -1 0 342.307 2.572 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600822652 1095357580 /nfs/dbraw/zinc/35/75/80/1095357580.db2.gz WBCANQUYFHANIX-QGZVFWFLSA-N -1 0 330.315 2.719 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC001600829056 1095359858 /nfs/dbraw/zinc/35/98/58/1095359858.db2.gz CZPMNMLVJSQJNI-SNVBAGLBSA-N -1 0 329.308 2.782 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2 ZINC001600829756 1095363209 /nfs/dbraw/zinc/36/32/09/1095363209.db2.gz SSRNPGMFKCCYKD-VIFPVBQESA-N -1 0 339.351 2.930 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001600833051 1095367565 /nfs/dbraw/zinc/36/75/65/1095367565.db2.gz UVJMLGSAYIILNL-UHFFFAOYSA-N -1 0 325.320 2.933 20 30 EFEDRM Cc1oc(C)c(S(=O)(=O)N(CCC#N)CC(C)(C)C)c1C(=O)[O-] ZINC001600836413 1095369228 /nfs/dbraw/zinc/36/92/28/1095369228.db2.gz PBLLXGKETNGIAZ-UHFFFAOYSA-N -1 0 342.417 2.545 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001600836205 1095370316 /nfs/dbraw/zinc/37/03/16/1095370316.db2.gz JTPQJTBGKNEHBS-ZDUSSCGKSA-N -1 0 348.380 2.610 20 30 EFEDRM Cc1sc([C@H]2CCCN2Cc2cc(C#N)ccn2)nc1C(=O)[O-] ZINC001600884701 1095405670 /nfs/dbraw/zinc/40/56/70/1095405670.db2.gz MOBMZIIMTWMNPD-CYBMUJFWSA-N -1 0 328.397 2.754 20 30 EFEDRM Cc1sc([C@H]2CCCN2Cc2cncc(C#N)c2)nc1C(=O)[O-] ZINC001600885068 1095407696 /nfs/dbraw/zinc/40/76/96/1095407696.db2.gz UHPAVIGLIUGUBB-CYBMUJFWSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001600897699 1095414309 /nfs/dbraw/zinc/41/43/09/1095414309.db2.gz ALUVQEJTCSWFSM-KRWDZBQOSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001600927357 1095433657 /nfs/dbraw/zinc/43/36/57/1095433657.db2.gz FLIJCVVSWDTUPL-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1C(=O)[O-] ZINC001600964976 1095448416 /nfs/dbraw/zinc/44/84/16/1095448416.db2.gz VKEFETUQVWTUKG-UHFFFAOYSA-N -1 0 338.367 2.796 20 30 EFEDRM Cn1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1-c1ccccc1 ZINC001600971194 1095451451 /nfs/dbraw/zinc/45/14/51/1095451451.db2.gz OVRIFOWAYZRZIU-UHFFFAOYSA-N -1 0 337.379 2.523 20 30 EFEDRM Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601026712 1095471812 /nfs/dbraw/zinc/47/18/12/1095471812.db2.gz ORSWZILTDNPHQO-CMDGGOBGSA-N -1 0 326.352 2.657 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(C(=O)[O-])[nH]1)c1nc2cc(F)ccc2s1 ZINC001601047341 1095478034 /nfs/dbraw/zinc/47/80/34/1095478034.db2.gz NIRXWIRZHXLGET-MRVPVSSYSA-N -1 0 329.312 2.952 20 30 EFEDRM N#C[C@H](C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc2ccccc2n1 ZINC001601047072 1095478770 /nfs/dbraw/zinc/47/87/70/1095478770.db2.gz HZSPCOCNNIQUPD-ZNMIVQPWSA-N -1 0 338.363 2.681 20 30 EFEDRM N#CC1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCC1 ZINC001601048278 1095479849 /nfs/dbraw/zinc/47/98/49/1095479849.db2.gz CSJVVRVXTJZIKU-UHFFFAOYSA-N -1 0 326.396 2.860 20 30 EFEDRM N#C[C@H](c1ccc(Cl)cc1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601049897 1095479885 /nfs/dbraw/zinc/47/98/85/1095479885.db2.gz SEKIGGBJZGWPFR-OAHLLOKOSA-N -1 0 345.790 2.531 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC001601048953 1095480133 /nfs/dbraw/zinc/48/01/33/1095480133.db2.gz RVKHDKHMHSTDMD-NSHDSACASA-N -1 0 338.241 2.991 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC001601051622 1095481361 /nfs/dbraw/zinc/48/13/61/1095481361.db2.gz SEHAVVBXTDLSKS-CYBMUJFWSA-N -1 0 333.413 2.599 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC001601051584 1095481445 /nfs/dbraw/zinc/48/14/45/1095481445.db2.gz CQKGBLKALFIAMO-UHFFFAOYSA-N -1 0 340.339 2.564 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2csc(Br)c2)CC1 ZINC001601052781 1095481553 /nfs/dbraw/zinc/48/15/53/1095481553.db2.gz WSDBJOVGHPDFLI-UHFFFAOYSA-N -1 0 329.219 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 ZINC001601051645 1095481645 /nfs/dbraw/zinc/48/16/45/1095481645.db2.gz SKIAXXMGNHPGCR-NSHDSACASA-N -1 0 347.337 2.507 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001601052679 1095481650 /nfs/dbraw/zinc/48/16/50/1095481650.db2.gz VJIAMHLLEBQJJY-CQSZACIVSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001601051096 1095481740 /nfs/dbraw/zinc/48/17/40/1095481740.db2.gz BYMWNBGHBQDDFI-CQSZACIVSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC001601051789 1095481837 /nfs/dbraw/zinc/48/18/37/1095481837.db2.gz UZLLLLASPMXVAK-INIZCTEOSA-N -1 0 341.411 2.928 20 30 EFEDRM N#C[C@]1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCCOC1 ZINC001601050723 1095481899 /nfs/dbraw/zinc/48/18/99/1095481899.db2.gz HUJIESPGHKBTRT-CQSZACIVSA-N -1 0 343.166 2.950 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC001601053300 1095482750 /nfs/dbraw/zinc/48/27/50/1095482750.db2.gz UBGYTPJIPYEBKC-UHFFFAOYSA-N -1 0 332.303 2.597 20 30 EFEDRM N#CC1(CC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCCCC1 ZINC001601054733 1095482961 /nfs/dbraw/zinc/48/29/61/1095482961.db2.gz MSIQTGIIFCPMHK-QGZVFWFLSA-N -1 0 342.395 2.728 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1 ZINC001601055483 1095483121 /nfs/dbraw/zinc/48/31/21/1095483121.db2.gz KPUXJJDNRVKETI-UHFFFAOYSA-N -1 0 332.743 2.917 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001601055520 1095483146 /nfs/dbraw/zinc/48/31/46/1095483146.db2.gz MORVRAHCJJYKAV-MNOVXSKESA-N -1 0 332.322 2.572 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3sccc3nc2Cl)CC1 ZINC001601055569 1095484760 /nfs/dbraw/zinc/48/47/60/1095484760.db2.gz PFANIKSMHGUJTQ-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#CC1(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCCCC1 ZINC001601056239 1095484963 /nfs/dbraw/zinc/48/49/63/1095484963.db2.gz DTPOZSUZTSRGJJ-UHFFFAOYSA-N -1 0 339.395 2.930 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3cc2F)CC1 ZINC001601055558 1095485020 /nfs/dbraw/zinc/48/50/20/1095485020.db2.gz OMYYEAHTMHSMRZ-UHFFFAOYSA-N -1 0 326.327 2.809 20 30 EFEDRM N#CC1CCC(CNC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001601059429 1095486218 /nfs/dbraw/zinc/48/62/18/1095486218.db2.gz YYKYQSSYRQDQML-JCYILVPMSA-N -1 0 343.427 2.559 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC001601061276 1095486271 /nfs/dbraw/zinc/48/62/71/1095486271.db2.gz SHOCMQOBVRJYJZ-GFCCVEGCSA-N -1 0 344.396 2.581 20 30 EFEDRM N#CC[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001601060244 1095486383 /nfs/dbraw/zinc/48/63/83/1095486383.db2.gz AOKWCOREHLKLOY-KRWDZBQOSA-N -1 0 338.363 2.577 20 30 EFEDRM N#CC[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601061444 1095486464 /nfs/dbraw/zinc/48/64/64/1095486464.db2.gz UNTFNYBKNXKFFI-GPMSIDNRSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC001601061620 1095486540 /nfs/dbraw/zinc/48/65/40/1095486540.db2.gz YLWJSSNNPVZDGZ-CYBMUJFWSA-N -1 0 329.381 2.796 20 30 EFEDRM N#CC[C@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001601061626 1095486573 /nfs/dbraw/zinc/48/65/73/1095486573.db2.gz YMOKBFXOCXLNHG-HZPDHXFCSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@@H](CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001601060770 1095486596 /nfs/dbraw/zinc/48/65/96/1095486596.db2.gz MNOKRZPEADFTPM-FCEWJHQRSA-N -1 0 326.396 2.930 20 30 EFEDRM N#CCC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001601066843 1095488147 /nfs/dbraw/zinc/48/81/47/1095488147.db2.gz QMGKTUUHDJHAMO-OAHLLOKOSA-N -1 0 338.367 2.875 20 30 EFEDRM N#CCCN(C(=O)CSc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001601066518 1095488176 /nfs/dbraw/zinc/48/81/76/1095488176.db2.gz BJLRZHVRHLDQCW-UHFFFAOYSA-N -1 0 347.421 2.880 20 30 EFEDRM N#CCC[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001601066970 1095488271 /nfs/dbraw/zinc/48/82/71/1095488271.db2.gz SNEMAEUFMYGTOE-KBMXLJTQSA-N -1 0 329.400 2.974 20 30 EFEDRM N#CCCCC(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001601066724 1095488293 /nfs/dbraw/zinc/48/82/93/1095488293.db2.gz PRBDMFUBTUSHHO-GFCCVEGCSA-N -1 0 329.274 2.938 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c2ccccc21 ZINC001601066792 1095488350 /nfs/dbraw/zinc/48/83/50/1095488350.db2.gz LSKPNZSDRXGFQV-SFHVURJKSA-N -1 0 343.358 2.584 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001601065746 1095488563 /nfs/dbraw/zinc/48/85/63/1095488563.db2.gz UPZHGCPFCPTNKX-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC001601068634 1095489606 /nfs/dbraw/zinc/48/96/06/1095489606.db2.gz KCMBORTVRQJYRC-UHFFFAOYSA-N -1 0 345.376 2.538 20 30 EFEDRM N#CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001601067138 1095489611 /nfs/dbraw/zinc/48/96/11/1095489611.db2.gz UHTHTILBXLZRAP-OAHLLOKOSA-N -1 0 344.392 2.708 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001601069451 1095489618 /nfs/dbraw/zinc/48/96/18/1095489618.db2.gz CYUPATJQCSADCR-UHFFFAOYSA-N -1 0 331.759 2.776 20 30 EFEDRM N#CCCN(Cc1oc(Br)cc1C(=O)[O-])CC1CC1 ZINC001601067948 1095489624 /nfs/dbraw/zinc/48/96/24/1095489624.db2.gz WJNNKCJKBXLCKW-UHFFFAOYSA-N -1 0 327.178 2.866 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)COc1ccc(Cl)c2ccccc12 ZINC001601070937 1095489663 /nfs/dbraw/zinc/48/96/63/1095489663.db2.gz MPOZQMNRNONXDK-UHFFFAOYSA-N -1 0 346.770 2.699 20 30 EFEDRM N#CCCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001601068292 1095489696 /nfs/dbraw/zinc/48/96/96/1095489696.db2.gz QKBLJUVXHJAPNT-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001601068649 1095489775 /nfs/dbraw/zinc/48/97/75/1095489775.db2.gz KTASYYVFUKYJHT-UHFFFAOYSA-N -1 0 331.349 2.609 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCSc1ccc(Cl)cc1 ZINC001601071120 1095489791 /nfs/dbraw/zinc/48/97/91/1095489791.db2.gz SEUDEKFIXXKPDG-UHFFFAOYSA-N -1 0 326.805 2.649 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001601070227 1095489920 /nfs/dbraw/zinc/48/99/20/1095489920.db2.gz LAERFBHSDWKUDO-SOFGYWHQSA-N -1 0 326.327 2.819 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001601070983 1095489947 /nfs/dbraw/zinc/48/99/47/1095489947.db2.gz NZHDMXVVXBCCKK-UHFFFAOYSA-N -1 0 340.301 2.564 20 30 EFEDRM N#CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001601070490 1095490120 /nfs/dbraw/zinc/49/01/20/1095490120.db2.gz PBMNZYZFNFJFBG-UHFFFAOYSA-N -1 0 333.347 2.896 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001601075972 1095491155 /nfs/dbraw/zinc/49/11/55/1095491155.db2.gz SPENYXPNEMVQBM-UHFFFAOYSA-N -1 0 338.363 2.787 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001601075677 1095491653 /nfs/dbraw/zinc/49/16/53/1095491653.db2.gz NETXAWCNHMBHIW-HNNXBMFYSA-N -1 0 331.349 2.562 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001601075413 1095491963 /nfs/dbraw/zinc/49/19/63/1095491963.db2.gz HBJPODIQJMTJFV-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCc1ccc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001601076087 1095491976 /nfs/dbraw/zinc/49/19/76/1095491976.db2.gz CQSOUVJVSDCWSE-UHFFFAOYSA-N -1 0 338.338 2.788 20 30 EFEDRM N#CCc1ccccc1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001601078174 1095492792 /nfs/dbraw/zinc/49/27/92/1095492792.db2.gz IAPBHTFYAYLOSH-MSOLQXFVSA-N -1 0 334.375 2.725 20 30 EFEDRM N#CCSCC(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001601076545 1095493439 /nfs/dbraw/zinc/49/34/39/1095493439.db2.gz VRFSHVIYVMBEQK-LLVKDONJSA-N -1 0 347.314 2.501 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1F ZINC001601080659 1095494717 /nfs/dbraw/zinc/49/47/17/1095494717.db2.gz HKQUBZPHJIQILW-CYBMUJFWSA-N -1 0 336.338 2.847 20 30 EFEDRM N#CCc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601079276 1095494769 /nfs/dbraw/zinc/49/47/69/1095494769.db2.gz SSEJBXQWAPRARZ-HUUCEWRRSA-N -1 0 340.404 2.755 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3c(c2)CCOC3)cccc1C(=O)[O-] ZINC001601080782 1095494819 /nfs/dbraw/zinc/49/48/19/1095494819.db2.gz UICMZIXMHWLKDY-UHFFFAOYSA-N -1 0 337.331 2.686 20 30 EFEDRM N#Cc1c(C(F)F)cccc1N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601080867 1095494843 /nfs/dbraw/zinc/49/48/43/1095494843.db2.gz DXSHWYZJMUERIV-JTQLQIEISA-N -1 0 347.325 2.627 20 30 EFEDRM N#CCc1ccsc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001601079166 1095494938 /nfs/dbraw/zinc/49/49/38/1095494938.db2.gz QCXRUUUZGHBFPO-UHFFFAOYSA-N -1 0 333.394 2.778 20 30 EFEDRM N#CCc1ccccc1CC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001601078549 1095495036 /nfs/dbraw/zinc/49/50/36/1095495036.db2.gz PFJKJKISPVKAPA-UHFFFAOYSA-N -1 0 327.311 2.876 20 30 EFEDRM N#Cc1c(COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cn2ccccc12 ZINC001601080691 1095495148 /nfs/dbraw/zinc/49/51/48/1095495148.db2.gz QWOBJZRVCORXEJ-UHFFFAOYSA-N -1 0 337.291 2.996 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc3ccc(=O)[nH]c32)cccc1C(=O)[O-] ZINC001601081119 1095496076 /nfs/dbraw/zinc/49/60/76/1095496076.db2.gz YGOJKXHJPYKQDL-UHFFFAOYSA-N -1 0 348.314 2.867 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001601081992 1095496214 /nfs/dbraw/zinc/49/62/14/1095496214.db2.gz SIQPHIXDEZCTFS-HNNXBMFYSA-N -1 0 333.347 2.638 20 30 EFEDRM N#Cc1c(F)cccc1CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001601082297 1095496497 /nfs/dbraw/zinc/49/64/97/1095496497.db2.gz JRIKSQUZYMFPAM-MRXNPFEDSA-N -1 0 330.290 2.689 20 30 EFEDRM N#Cc1c(F)cccc1SCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001601082481 1095496623 /nfs/dbraw/zinc/49/66/23/1095496623.db2.gz ANNXTXFYTSWLJA-UHFFFAOYSA-N -1 0 331.328 2.521 20 30 EFEDRM N#Cc1c(CN2CC[C@@]3(C2)OCc2ccccc23)cccc1C(=O)[O-] ZINC001601081901 1095496654 /nfs/dbraw/zinc/49/66/54/1095496654.db2.gz QMWXDCGUJCVQKO-FQEVSTJZSA-N -1 0 334.375 2.888 20 30 EFEDRM N#Cc1c(COC(=O)c2ccnc(Cl)c2F)cccc1C(=O)[O-] ZINC001601080964 1095496679 /nfs/dbraw/zinc/49/66/79/1095496679.db2.gz VUIPDXBMLUDTRR-UHFFFAOYSA-N -1 0 334.690 2.801 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601082480 1095496761 /nfs/dbraw/zinc/49/67/61/1095496761.db2.gz LRPJDBNGCVYALY-ZDUSSCGKSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001601081055 1095496774 /nfs/dbraw/zinc/49/67/74/1095496774.db2.gz HVVZFEBPMBVKBO-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001601081939 1095496847 /nfs/dbraw/zinc/49/68/47/1095496847.db2.gz BXTKOZHKDVIKBT-HNNXBMFYSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1c(NC(=O)Cc2ccc(C(=O)[O-])cc2)sc2c1CCC2 ZINC001601084257 1095497526 /nfs/dbraw/zinc/49/75/26/1095497526.db2.gz PVXTYHMIXYJPFD-UHFFFAOYSA-N -1 0 326.377 2.988 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cccc1C(=O)[O-] ZINC001601083564 1095497594 /nfs/dbraw/zinc/49/75/94/1095497594.db2.gz JNFNVKVLBGGGJR-CGTJXYLNSA-N -1 0 333.343 2.886 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)sc2c1CCCC2 ZINC001601084173 1095497699 /nfs/dbraw/zinc/49/76/99/1095497699.db2.gz LLOJRNZUHQUICR-GXFFZTMASA-N -1 0 348.424 2.849 20 30 EFEDRM N#Cc1c(=O)n(Cc2c(Cl)cccc2C(=O)[O-])cc2c1CCCC2 ZINC001601084589 1095497717 /nfs/dbraw/zinc/49/77/17/1095497717.db2.gz YAAPUYWTGMVJCP-UHFFFAOYSA-N -1 0 342.782 2.999 20 30 EFEDRM N#Cc1c(COC(=O)COCc2ccccc2)cccc1C(=O)[O-] ZINC001601083834 1095497777 /nfs/dbraw/zinc/49/77/77/1095497777.db2.gz UKQCXDUMXJMVBL-UHFFFAOYSA-N -1 0 325.320 2.516 20 30 EFEDRM N#Cc1cc(Br)cnc1N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601084984 1095497850 /nfs/dbraw/zinc/49/78/50/1095497850.db2.gz QSWMQKHXUODMII-VNOQCFOKSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1c(COC(=O)COCCc2ccccc2)cccc1C(=O)[O-] ZINC001601083746 1095498127 /nfs/dbraw/zinc/49/81/27/1095498127.db2.gz QEDXPZXKHZLNJC-UHFFFAOYSA-N -1 0 339.347 2.559 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)cnc1C(F)(F)F ZINC001601086471 1095499155 /nfs/dbraw/zinc/49/91/55/1095499155.db2.gz RJLCSEZJMIECHO-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1cc(Cl)ccc1CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001601087129 1095499544 /nfs/dbraw/zinc/49/95/44/1095499544.db2.gz QMKIBUUKRIETKN-UHFFFAOYSA-N -1 0 348.830 2.793 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601088667 1095500188 /nfs/dbraw/zinc/50/01/88/1095500188.db2.gz BQLDTMDNHDFMFF-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001601088847 1095500416 /nfs/dbraw/zinc/50/04/16/1095500416.db2.gz IATPDQXLYFQDBC-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1cc(O)cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC001601089572 1095500476 /nfs/dbraw/zinc/50/04/76/1095500476.db2.gz SEQWIEMIDHXRGB-UHFFFAOYSA-N -1 0 346.726 2.633 20 30 EFEDRM N#Cc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cs1 ZINC001601088558 1095500594 /nfs/dbraw/zinc/50/05/94/1095500594.db2.gz YKWMSOBNCKYCAE-BJMVGYQFSA-N -1 0 338.435 2.686 20 30 EFEDRM N#Cc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001601089189 1095500618 /nfs/dbraw/zinc/50/06/18/1095500618.db2.gz SFGGANIEAIBBRF-QGZVFWFLSA-N -1 0 326.327 2.548 20 30 EFEDRM N#Cc1cc(NCc2cc(C(=O)[O-])co2)nc2ccc([N+](=O)[O-])cc12 ZINC001601088761 1095500807 /nfs/dbraw/zinc/50/08/07/1095500807.db2.gz CJJOYYMZDDJSBA-UHFFFAOYSA-N -1 0 338.279 2.918 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)CC2)c1 ZINC001601089318 1095500856 /nfs/dbraw/zinc/50/08/56/1095500856.db2.gz HUKYLBWMTFIPFO-BEFAXECRSA-N -1 0 342.370 2.585 20 30 EFEDRM N#Cc1cc(F)ccc1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601088907 1095500866 /nfs/dbraw/zinc/50/08/66/1095500866.db2.gz KRDBNUCABSPUBY-UHFFFAOYSA-N -1 0 329.331 2.763 20 30 EFEDRM N#Cc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cs1 ZINC001601088561 1095500955 /nfs/dbraw/zinc/50/09/55/1095500955.db2.gz YKWMSOBNCKYCAE-YHYXMXQVSA-N -1 0 338.435 2.686 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC001601087758 1095501485 /nfs/dbraw/zinc/50/14/85/1095501485.db2.gz ZQUZHOPIDUORPI-UHFFFAOYSA-N -1 0 343.788 2.565 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(NCCOc2ccc(C(=O)[O-])cc2)cc1F ZINC001601091182 1095502184 /nfs/dbraw/zinc/50/21/84/1095502184.db2.gz SRSYGMQWBGPWPI-UHFFFAOYSA-N -1 0 345.286 2.795 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)/C=C/c1cc(C(=O)[O-])co1)CCCC2 ZINC001601091299 1095502475 /nfs/dbraw/zinc/50/24/75/1095502475.db2.gz CFRDGSSDSZDDPG-AATRIKPKSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC001601091110 1095502515 /nfs/dbraw/zinc/50/25/15/1095502515.db2.gz NIIZWAWXKLBJGU-UHFFFAOYSA-N -1 0 327.271 2.824 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001601089914 1095502585 /nfs/dbraw/zinc/50/25/85/1095502585.db2.gz YOJAERYVRZBTGK-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1Cl ZINC001601091761 1095502640 /nfs/dbraw/zinc/50/26/40/1095502640.db2.gz CLYHCWZJZHEZHK-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(F)cc1F ZINC001601090534 1095502777 /nfs/dbraw/zinc/50/27/77/1095502777.db2.gz GSCYAKWWNXZFDH-QFYYESIMSA-N -1 0 335.310 2.555 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)/C=C\c1cc(C(=O)[O-])co1)CCCC2 ZINC001601091300 1095503112 /nfs/dbraw/zinc/50/31/12/1095503112.db2.gz CFRDGSSDSZDDPG-WAYWQWQTSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(F)c1 ZINC001601092939 1095503591 /nfs/dbraw/zinc/50/35/91/1095503591.db2.gz UICQSSJAIKUUHD-WWGRRREGSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)o1 ZINC001601092942 1095503620 /nfs/dbraw/zinc/50/36/20/1095503620.db2.gz UIDUXVQMWFXWEO-UHFFFAOYSA-N -1 0 339.351 2.566 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001601093753 1095504627 /nfs/dbraw/zinc/50/46/27/1095504627.db2.gz FPDVQJUKHVSEAO-INIZCTEOSA-N -1 0 334.331 2.730 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c(F)c1 ZINC001601094884 1095505584 /nfs/dbraw/zinc/50/55/84/1095505584.db2.gz ZZOCAIDSYAHYNI-UHFFFAOYSA-N -1 0 331.328 2.982 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001601095447 1095506218 /nfs/dbraw/zinc/50/62/18/1095506218.db2.gz QVCHTCUGHWNOEW-ICSRJNTNSA-N -1 0 346.390 2.636 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1O ZINC001601094509 1095506401 /nfs/dbraw/zinc/50/64/01/1095506401.db2.gz YRWXIUPHCMLFLL-GOSISDBHSA-N -1 0 346.342 2.973 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C[C@@H]2CCC3(CCC3)O2)C(=O)[O-])cc1 ZINC001601095796 1095506633 /nfs/dbraw/zinc/50/66/33/1095506633.db2.gz CGQFWPWGHNUCLO-HOCLYGCPSA-N -1 0 329.352 2.719 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCS[C@H](C(F)(F)F)C2)cc1 ZINC001601095517 1095506672 /nfs/dbraw/zinc/50/66/72/1095506672.db2.gz TVOJYPVUGTXBPW-RYUDHWBXSA-N -1 0 330.331 2.664 20 30 EFEDRM N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1O ZINC001601094265 1095506848 /nfs/dbraw/zinc/50/68/48/1095506848.db2.gz PYROLOJULUBUNB-HOTGVXAUSA-N -1 0 336.347 2.694 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C\c2ccc(Cl)nc2)C(=O)[O-])cc1 ZINC001601095770 1095507026 /nfs/dbraw/zinc/50/70/26/1095507026.db2.gz BYOAQZGBAOGKHQ-FAOGRTBUSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001601096184 1095508026 /nfs/dbraw/zinc/50/80/26/1095508026.db2.gz QBCYPNPFIBQCOR-AWEZNQCLSA-N -1 0 330.727 2.582 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CSCc2cscn2)C(=O)[O-])cc1 ZINC001601096548 1095508362 /nfs/dbraw/zinc/50/83/62/1095508362.db2.gz XBQUHHQRGMEQKC-AWEZNQCLSA-N -1 0 348.405 2.617 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601096146 1095508395 /nfs/dbraw/zinc/50/83/95/1095508395.db2.gz PAYRSZVWOBJRSP-CABCVRRESA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCCc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001601097276 1095508537 /nfs/dbraw/zinc/50/85/37/1095508537.db2.gz DEDTUWAPGJDSSZ-UHFFFAOYSA-N -1 0 334.375 2.647 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001601096185 1095508794 /nfs/dbraw/zinc/50/87/94/1095508794.db2.gz QBCYPNPFIBQCOR-CQSZACIVSA-N -1 0 330.727 2.582 20 30 EFEDRM N#Cc1ccc([C@@H](O)CNc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001601095875 1095508936 /nfs/dbraw/zinc/50/89/36/1095508936.db2.gz FSDAQHWTMVUREN-KRWDZBQOSA-N -1 0 326.352 2.557 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001601098922 1095509441 /nfs/dbraw/zinc/50/94/41/1095509441.db2.gz AYFSKYYHVDJFQS-HNNXBMFYSA-N -1 0 345.358 2.528 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@@H](CC3CCCC3)C(=O)[O-])CC2)cc1 ZINC001601097754 1095509808 /nfs/dbraw/zinc/50/98/08/1095509808.db2.gz MSAPIJMPBYOKIX-MRXNPFEDSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCCc3ccccc3C(=O)[O-])CC2)cc1 ZINC001601097960 1095510016 /nfs/dbraw/zinc/51/00/16/1095510016.db2.gz QBJCGHFFVWXDJI-UHFFFAOYSA-N -1 0 334.375 2.647 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601097978 1095510449 /nfs/dbraw/zinc/51/04/49/1095510449.db2.gz HSLJUCSTEYZYNN-INIZCTEOSA-N -1 0 326.327 2.572 20 30 EFEDRM N#Cc1ccc(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])cn1 ZINC001601098908 1095510645 /nfs/dbraw/zinc/51/06/45/1095510645.db2.gz AMYSODQQKLZOST-UHFFFAOYSA-N -1 0 332.315 2.953 20 30 EFEDRM N#Cc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1F ZINC001601100602 1095511177 /nfs/dbraw/zinc/51/11/77/1095511177.db2.gz QZUTWOJXHIWIDZ-UHFFFAOYSA-N -1 0 330.359 2.739 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccccc3[nH]c2=O)C(=O)[O-])cc1 ZINC001601099644 1095511722 /nfs/dbraw/zinc/51/17/22/1095511722.db2.gz SLPCHUORROQKGX-MRXNPFEDSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2cc(CCC(=O)[O-])ccc2O)cc1 ZINC001601100334 1095511824 /nfs/dbraw/zinc/51/18/24/1095511824.db2.gz YQMPRIPMJHQQIN-UHFFFAOYSA-N -1 0 338.363 2.852 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC001601099859 1095512106 /nfs/dbraw/zinc/51/21/06/1095512106.db2.gz RLOJZOOLLSQNQZ-CYBMUJFWSA-N -1 0 340.360 2.744 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001601099230 1095512198 /nfs/dbraw/zinc/51/21/98/1095512198.db2.gz INMCTOVHSULLPL-SFHVURJKSA-N -1 0 334.331 2.732 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@H](CC3CC3)C(=O)[O-])CCCC2)cc1 ZINC001601099730 1095512353 /nfs/dbraw/zinc/51/23/53/1095512353.db2.gz TYFSYLVFMMTYFY-MRXNPFEDSA-N -1 0 326.396 2.740 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001601103029 1095513046 /nfs/dbraw/zinc/51/30/46/1095513046.db2.gz ZHBOLSWYLSSTIP-UHFFFAOYSA-N -1 0 328.299 2.803 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c1 ZINC001601102379 1095513747 /nfs/dbraw/zinc/51/37/47/1095513747.db2.gz ARKJJGGYHFOOBE-UHFFFAOYSA-N -1 0 328.299 2.672 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2occc2C(=O)[O-])cc1 ZINC001601103096 1095513906 /nfs/dbraw/zinc/51/39/06/1095513906.db2.gz CDSHTRXVXVNETI-UHFFFAOYSA-N -1 0 331.349 2.826 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)c(OC(F)F)c1 ZINC001601102655 1095513915 /nfs/dbraw/zinc/51/39/15/1095513915.db2.gz VJKDIAFASIIVNS-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1C(=O)[O-] ZINC001601103258 1095514083 /nfs/dbraw/zinc/51/40/83/1095514083.db2.gz AWGXLXQLFNBDES-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001601104848 1095514803 /nfs/dbraw/zinc/51/48/03/1095514803.db2.gz MUNZMNWTNPDLTF-PREGVCBESA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001601106597 1095514853 /nfs/dbraw/zinc/51/48/53/1095514853.db2.gz YBDHYKGWIPRWNH-ZJUUUORDSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3occc3C(=O)[O-])CC2)c(Cl)c1 ZINC001601106600 1095515024 /nfs/dbraw/zinc/51/50/24/1095515024.db2.gz YHTKYHLUFUGOTO-UHFFFAOYSA-N -1 0 345.786 2.825 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)CCCCCC(=O)[O-] ZINC001601103740 1095515052 /nfs/dbraw/zinc/51/50/52/1095515052.db2.gz MSGDWILVPVBBQB-UHFFFAOYSA-N -1 0 331.777 2.565 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC001601103560 1095515130 /nfs/dbraw/zinc/51/51/30/1095515130.db2.gz ULVJLTUYZXBBBH-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(NC(=S)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601108131 1095515969 /nfs/dbraw/zinc/51/59/69/1095515969.db2.gz CHDANMJQUZWLQK-JCRCQARHSA-N -1 0 349.843 2.997 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H](CCF)C(=O)[O-])c2)cc1 ZINC001601109008 1095516043 /nfs/dbraw/zinc/51/60/43/1095516043.db2.gz ZZIQRXZNCVSHDI-MRXNPFEDSA-N -1 0 341.342 2.844 20 30 EFEDRM N#Cc1ccc(NCC(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC001601108022 1095516639 /nfs/dbraw/zinc/51/66/39/1095516639.db2.gz XRMAIZWIQSWBMH-UHFFFAOYSA-N -1 0 328.299 2.551 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC001601108825 1095516727 /nfs/dbraw/zinc/51/67/27/1095516727.db2.gz UQTNEVUKWLGDQC-UHFFFAOYSA-N -1 0 342.804 2.598 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)nc1 ZINC001601108249 1095516743 /nfs/dbraw/zinc/51/67/43/1095516743.db2.gz IQHHWMCUOYVBAE-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001601108798 1095516919 /nfs/dbraw/zinc/51/69/19/1095516919.db2.gz VUOMMKGSSWDNGU-UHFFFAOYSA-N -1 0 346.346 2.855 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001601108578 1095517050 /nfs/dbraw/zinc/51/70/50/1095517050.db2.gz KSNQXNYULOPDLF-UHFFFAOYSA-N -1 0 336.250 2.632 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](CCF)C(=O)[O-])c2)cc1 ZINC001601109007 1095517089 /nfs/dbraw/zinc/51/70/89/1095517089.db2.gz ZZIQRXZNCVSHDI-INIZCTEOSA-N -1 0 341.342 2.844 20 30 EFEDRM N#Cc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001601107110 1095517099 /nfs/dbraw/zinc/51/70/99/1095517099.db2.gz BWQUDJUIAMNPHI-AWEZNQCLSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)cc1Cl ZINC001601111044 1095517694 /nfs/dbraw/zinc/51/76/94/1095517694.db2.gz OSNZMONUIDFHFT-UHFFFAOYSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)c(C(=O)[O-])c1 ZINC001601112514 1095518711 /nfs/dbraw/zinc/51/87/11/1095518711.db2.gz ARBGJGMZRIZMMR-ZFWWWQNUSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)cn2)cc1 ZINC001601111151 1095518901 /nfs/dbraw/zinc/51/89/01/1095518901.db2.gz SZIDILWHFHKRMU-BETUJISGSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)CCc3ccccc3C(=O)[O-])nc2c1 ZINC001601113869 1095519541 /nfs/dbraw/zinc/51/95/41/1095519541.db2.gz CUGWWMKWIWOJOC-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001601114295 1095519910 /nfs/dbraw/zinc/51/99/10/1095519910.db2.gz AAIHRLQARSJEEV-DOTOQJQBSA-N -1 0 341.411 2.736 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1cc(C(=O)[O-])cnc1Cl)C2 ZINC001601114750 1095519934 /nfs/dbraw/zinc/51/99/34/1095519934.db2.gz GVMMQUNQKWTDEC-UHFFFAOYSA-N -1 0 342.742 2.853 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@@H]3CCCC[C@H]3C(=O)[O-])n2)c1 ZINC001601114551 1095520000 /nfs/dbraw/zinc/52/00/00/1095520000.db2.gz CTOBLOWZNKEQSN-GDBMZVCRSA-N -1 0 339.351 2.544 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)c1 ZINC001601114058 1095520138 /nfs/dbraw/zinc/52/01/38/1095520138.db2.gz IVYQUXFATXOLMO-UHFFFAOYSA-N -1 0 337.295 2.653 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1CCC(=O)[O-] ZINC001601114373 1095520152 /nfs/dbraw/zinc/52/01/52/1095520152.db2.gz RXHYGLODFAYWGG-GOSISDBHSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601114946 1095520171 /nfs/dbraw/zinc/52/01/71/1095520171.db2.gz ZOSRLMFCZLNYPR-BBTUJRGHSA-N -1 0 346.386 2.920 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001601114518 1095520183 /nfs/dbraw/zinc/52/01/83/1095520183.db2.gz UDWLRGMIVXKXEI-HUUCEWRRSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601114948 1095520241 /nfs/dbraw/zinc/52/02/41/1095520241.db2.gz ZOSRLMFCZLNYPR-LVCYWYKZSA-N -1 0 346.386 2.920 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601114220 1095520281 /nfs/dbraw/zinc/52/02/81/1095520281.db2.gz OLUXFBWCXQFHCQ-SNVBAGLBSA-N -1 0 344.352 2.615 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1CCC(=O)[O-] ZINC001601114375 1095520434 /nfs/dbraw/zinc/52/04/34/1095520434.db2.gz RXHYGLODFAYWGG-SFHVURJKSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC001601116346 1095521377 /nfs/dbraw/zinc/52/13/77/1095521377.db2.gz BVPKRBCFVDEMGX-MRXNPFEDSA-N -1 0 342.782 2.541 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)CC2 ZINC001601115929 1095521737 /nfs/dbraw/zinc/52/17/37/1095521737.db2.gz XZVIOUQBTWFBTC-OXQOHEQNSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2c(F)cccc2F)C(=O)[O-])c1 ZINC001601117160 1095521841 /nfs/dbraw/zinc/52/18/41/1095521841.db2.gz GDLZHFQYTIXWBN-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001601117541 1095522108 /nfs/dbraw/zinc/52/21/08/1095522108.db2.gz CWEJTZAZHILUAJ-FPOVZHCZSA-N -1 0 348.402 2.858 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2Cc3ccc(F)cc32)C(=O)[O-])c1 ZINC001601119257 1095522938 /nfs/dbraw/zinc/52/29/38/1095522938.db2.gz XMKMVMYYDUIUKL-HOTGVXAUSA-N -1 0 325.295 2.706 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2OCCc3ccccc32)C(=O)[O-])c1 ZINC001601119051 1095523069 /nfs/dbraw/zinc/52/30/69/1095523069.db2.gz UHXPHUFROJWHMW-DLBZAZTESA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC001601119442 1095523303 /nfs/dbraw/zinc/52/33/03/1095523303.db2.gz QPMFQMHAIIASJH-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001601117893 1095523648 /nfs/dbraw/zinc/52/36/48/1095523648.db2.gz PKSRCAVDPCBHMS-OAHLLOKOSA-N -1 0 330.727 2.518 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)c1Cl ZINC001601121512 1095526553 /nfs/dbraw/zinc/52/65/53/1095526553.db2.gz RPRACDSEZUDPLJ-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(OC2CCN(c3cc(CC(=O)[O-])ccn3)CC2)c1 ZINC001601121603 1095526655 /nfs/dbraw/zinc/52/66/55/1095526655.db2.gz PBZYYSAANZLWAN-UHFFFAOYSA-N -1 0 337.379 2.628 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001601123794 1095526888 /nfs/dbraw/zinc/52/68/88/1095526888.db2.gz SOSZMJVPFWLNAU-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(OCCCN2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001601123405 1095527366 /nfs/dbraw/zinc/52/73/66/1095527366.db2.gz ADDZZPLKDDKIOL-SFHVURJKSA-N -1 0 338.363 2.679 20 30 EFEDRM N#Cc1cccc(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001601122386 1095527695 /nfs/dbraw/zinc/52/76/95/1095527695.db2.gz JZZRXYFFZFDIQY-QGZVFWFLSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001601123707 1095527965 /nfs/dbraw/zinc/52/79/65/1095527965.db2.gz PVECFIJLMIZFBL-UHFFFAOYSA-N -1 0 343.379 2.905 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001601124207 1095528584 /nfs/dbraw/zinc/52/85/84/1095528584.db2.gz GLPMRMBGPBQGLR-GVDBMIGSSA-N -1 0 326.396 2.811 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001601124940 1095528672 /nfs/dbraw/zinc/52/86/72/1095528672.db2.gz ZJHCYLXPJYTQRE-DLBZAZTESA-N -1 0 336.347 2.764 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC001601124629 1095528684 /nfs/dbraw/zinc/52/86/84/1095528684.db2.gz PAHYXEUKIWJNLU-UONOGXRCSA-N -1 0 341.392 2.774 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(CC(=O)[O-])cc2)c1 ZINC001601124322 1095528763 /nfs/dbraw/zinc/52/87/63/1095528763.db2.gz JPYKFDQHMUENKY-ZWKOTPCHSA-N -1 0 334.375 2.605 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCc3nc(C(=O)[O-])ccc32)c1 ZINC001601124476 1095528843 /nfs/dbraw/zinc/52/88/43/1095528843.db2.gz MDJOFIOBIDYGSP-LSDHHAIUSA-N -1 0 347.374 2.734 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001601124206 1095529096 /nfs/dbraw/zinc/52/90/96/1095529096.db2.gz JCBHYSHJHBMGNQ-UHFFFAOYSA-N -1 0 336.338 2.896 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001601124983 1095529276 /nfs/dbraw/zinc/52/92/76/1095529276.db2.gz AJWWNHICVPMDEF-HJWRWDBZSA-N -1 0 337.331 2.892 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(C(=O)[O-])s3)c21 ZINC001601124955 1095529395 /nfs/dbraw/zinc/52/93/95/1095529395.db2.gz ZZELHWBMYMUQSQ-UHFFFAOYSA-N -1 0 325.349 2.729 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001601124837 1095529648 /nfs/dbraw/zinc/52/96/48/1095529648.db2.gz UPPUIUMMOXOMFX-UXLLHSPISA-N -1 0 338.338 2.743 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001601124664 1095529661 /nfs/dbraw/zinc/52/96/61/1095529661.db2.gz QMUNWTAGHXIHKY-RRQGHBQHSA-N -1 0 326.396 2.765 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1ccc(C(=O)[O-])s1 ZINC001601126163 1095530179 /nfs/dbraw/zinc/53/01/79/1095530179.db2.gz YYKGZYWCIMQBMN-UHFFFAOYSA-N -1 0 346.433 2.981 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001601128729 1095532588 /nfs/dbraw/zinc/53/25/88/1095532588.db2.gz CALJELVVACLNSM-MBNYWOFBSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1N1CCSC[C@@H](C(=O)[O-])C1 ZINC001601130918 1095532736 /nfs/dbraw/zinc/53/27/36/1095532736.db2.gz NZWZCDVMLNGIFR-JTQLQIEISA-N -1 0 349.362 2.639 20 30 EFEDRM N#Cc1cnc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cn1 ZINC001601130346 1095533094 /nfs/dbraw/zinc/53/30/94/1095533094.db2.gz NOTKNLHFKHVVBM-OAHLLOKOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccsc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601129553 1095533151 /nfs/dbraw/zinc/53/31/51/1095533151.db2.gz JFVGCDYBJBFGKW-LBPRGKRZSA-N -1 0 333.344 2.749 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001601129581 1095533247 /nfs/dbraw/zinc/53/32/47/1095533247.db2.gz KCIIKOXTKLJVNZ-SSDOTTSWSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1cn(Cc2ccc(C(=O)[O-])cc2F)c(=O)c2sccc21 ZINC001601129221 1095533278 /nfs/dbraw/zinc/53/32/78/1095533278.db2.gz RUZXPXSWDSGNDI-UHFFFAOYSA-N -1 0 328.324 2.820 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC1CCC(O)(c2ccccc2)CC1 ZINC001601132615 1095534090 /nfs/dbraw/zinc/53/40/90/1095534090.db2.gz DJYHIAUOWMNCOO-UHFFFAOYSA-N -1 0 337.379 2.894 20 30 EFEDRM N#Cc1cscc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601132094 1095534352 /nfs/dbraw/zinc/53/43/52/1095534352.db2.gz GBOKNZKYZZAAJL-LBPRGKRZSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001601132621 1095534601 /nfs/dbraw/zinc/53/46/01/1095534601.db2.gz ADXZRJBBPGWWOE-GFCCVEGCSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(Oc2cccc(F)c2)CC1 ZINC001601133219 1095534810 /nfs/dbraw/zinc/53/48/10/1095534810.db2.gz LXGRMXHWGUCOPU-UHFFFAOYSA-N -1 0 341.342 2.838 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H](O)c1ccc2ccccc2c1 ZINC001601133454 1095535076 /nfs/dbraw/zinc/53/50/76/1095535076.db2.gz SDHNLZQVOTTWPU-GOSISDBHSA-N -1 0 333.347 2.950 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC001601133052 1095535168 /nfs/dbraw/zinc/53/51/68/1095535168.db2.gz JFBNTFRNBMYFMO-MRXNPFEDSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1cnccc1NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001601131902 1095535239 /nfs/dbraw/zinc/53/52/39/1095535239.db2.gz WLJKLEFKYLNDMV-MRXNPFEDSA-N -1 0 331.375 2.884 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(Br)c1O ZINC001601135014 1095535680 /nfs/dbraw/zinc/53/56/80/1095535680.db2.gz TYUUSBPCQXYPIP-UHFFFAOYSA-N -1 0 348.156 2.732 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001601135035 1095535704 /nfs/dbraw/zinc/53/57/04/1095535704.db2.gz VCVWWRYLAYDHRX-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(OCC(F)F)c1 ZINC001601134225 1095536185 /nfs/dbraw/zinc/53/61/85/1095536185.db2.gz DFKOMFDMTMKQBB-UHFFFAOYSA-N -1 0 333.294 2.907 20 30 EFEDRM N#Cc1ncc(C(F)(F)F)cc1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001601134314 1095536245 /nfs/dbraw/zinc/53/62/45/1095536245.db2.gz NWYGAGYMAPHDOV-SNVBAGLBSA-N -1 0 325.290 2.663 20 30 EFEDRM N#Cc1nc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)sc1Cl ZINC001601134629 1095536478 /nfs/dbraw/zinc/53/64/78/1095536478.db2.gz VTZPOHFHINYIAV-SECBINFHSA-N -1 0 325.699 2.512 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Sc1ccc2c(c1)OCCCO2 ZINC001601134796 1095536582 /nfs/dbraw/zinc/53/65/82/1095536582.db2.gz NPTBIMZKLBCQPW-UHFFFAOYSA-N -1 0 328.349 2.964 20 30 EFEDRM N#Cc1nccc(N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)n1 ZINC001601134491 1095536795 /nfs/dbraw/zinc/53/67/95/1095536795.db2.gz RQXZAAQGBPSUMJ-UHFFFAOYSA-N -1 0 347.378 2.912 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782709345 1095548603 /nfs/dbraw/zinc/54/86/03/1095548603.db2.gz MVOALLYCBYAVHB-VIFPVBQESA-N -1 0 336.335 2.643 20 30 EFEDRM O=C([O-])[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC001601224058 1095563440 /nfs/dbraw/zinc/56/34/40/1095563440.db2.gz PREJTBSUKMRPFC-INIZCTEOSA-N -1 0 331.730 2.773 20 30 EFEDRM O=C([O-])c1csc(-c2cccc(CNC(=O)C#CC3CC3)c2)n1 ZINC001601224123 1095563854 /nfs/dbraw/zinc/56/38/54/1095563854.db2.gz QVJPBVGWDXWFMP-UHFFFAOYSA-N -1 0 326.377 2.538 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2ccc(F)cc2F)cc1 ZINC001601246096 1095575570 /nfs/dbraw/zinc/57/55/70/1095575570.db2.gz QEWRJFSTRLLYJB-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM O=C([O-])c1nc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 ZINC001601615850 1095766120 /nfs/dbraw/zinc/76/61/20/1095766120.db2.gz KNGYYHBFWXWEOD-UHFFFAOYSA-N -1 0 349.371 2.888 20 30 EFEDRM O=C([O-])CC1CCC(=NNC(=S)NCc2ccc(F)cc2)CC1 ZINC001601945716 1095987122 /nfs/dbraw/zinc/98/71/22/1095987122.db2.gz FFUBWKPMMHBUKW-UHFFFAOYSA-N -1 0 337.420 2.811 20 30 EFEDRM O=C([O-])CCC[C@H]1CCCC(N=Nc2ccc(-n3cccn3)nn2)C1 ZINC001601980812 1096004403 /nfs/dbraw/zinc/00/44/03/1096004403.db2.gz RXORCDZRPNWFJD-CYBMUJFWSA-N -1 0 342.403 2.875 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccnn2C2CCC2)cc1 ZINC001602080643 1096048928 /nfs/dbraw/zinc/04/89/28/1096048928.db2.gz YYOVZSUSKSXNFO-TWGQIWQCSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([O-])COc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC001602084392 1096052323 /nfs/dbraw/zinc/05/23/23/1096052323.db2.gz NFHRYRJBSVJEDH-XCVCLJGOSA-N -1 0 343.310 2.510 20 30 EFEDRM O=C([O-])Cn1ncc2ccc(NC(=O)CC#Cc3ccccc3)cc21 ZINC001602166451 1096098231 /nfs/dbraw/zinc/09/82/31/1096098231.db2.gz HBUFCHILRVAXKW-UHFFFAOYSA-N -1 0 333.347 2.501 20 30 EFEDRM O=C([O-])Cn1cccc1C=NNc1ccc(Br)c(F)c1 ZINC001602166155 1096098920 /nfs/dbraw/zinc/09/89/20/1096098920.db2.gz AKWWPFIAIDIJFM-UHFFFAOYSA-N -1 0 340.152 2.920 20 30 EFEDRM O=C([O-])Cn1cccc1CN=Nc1ncnc2c3ccccc3oc21 ZINC001602166269 1096098935 /nfs/dbraw/zinc/09/89/35/1096098935.db2.gz IVDGZXLXGFRFRL-UHFFFAOYSA-N -1 0 335.323 2.708 20 30 EFEDRM O=C([O-])[C@H]1CC(F)(F)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001602210687 1096118468 /nfs/dbraw/zinc/11/84/68/1096118468.db2.gz RAVWTSRAVNNQHF-GFCCVEGCSA-N -1 0 349.255 2.731 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1ccc(-n2cncn2)c(F)c1 ZINC001602230530 1096127930 /nfs/dbraw/zinc/12/79/30/1096127930.db2.gz KYLHUYPGNTXYME-UHFFFAOYSA-N -1 0 343.293 2.690 20 30 EFEDRM O=C([O-])c1c(F)cccc1[N-][NH+]=Cc1ccc(N2CCOCC2)s1 ZINC001602230087 1096128236 /nfs/dbraw/zinc/12/82/36/1096128236.db2.gz DPYMMKSMADKKIT-UHFFFAOYSA-N -1 0 349.387 2.868 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001602230478 1096128255 /nfs/dbraw/zinc/12/82/55/1096128255.db2.gz INEUPZBPFKMLDJ-UHFFFAOYSA-N -1 0 348.246 2.786 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1nccc2sccc21 ZINC001602305706 1096169114 /nfs/dbraw/zinc/16/91/14/1096169114.db2.gz FAVPRYLRAULHHS-UHFFFAOYSA-N -1 0 327.369 2.801 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C\c1cccc(OC3CC3)c1F)C2=O ZINC001602306511 1096169119 /nfs/dbraw/zinc/16/91/19/1096169119.db2.gz XKPWHRYCPSHAGL-DHZHZOJOSA-N -1 0 342.326 2.932 20 30 EFEDRM O=C([O-])c1ccc(-c2nnn(CC#Cc3ccccc3Cl)n2)cc1 ZINC001602312166 1096173396 /nfs/dbraw/zinc/17/33/96/1096173396.db2.gz RZNPULUQDURZOV-UHFFFAOYSA-N -1 0 338.754 2.743 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc3c2OCC3)C(=O)O1 ZINC000782880828 1096197379 /nfs/dbraw/zinc/19/73/79/1096197379.db2.gz PAQHHCVNRALFOT-FAAWYNLUSA-N -1 0 332.739 2.503 20 30 EFEDRM O=C([O-])c1ccccc1-c1ccc(C=NNCC2CCOCC2)o1 ZINC001602462330 1096258686 /nfs/dbraw/zinc/25/86/86/1096258686.db2.gz CABZINTXUHJWOY-UHFFFAOYSA-N -1 0 328.368 2.995 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C\c2ccc(N3CCC(O)CC3)cc2)c1 ZINC001602549794 1096294488 /nfs/dbraw/zinc/29/44/88/1096294488.db2.gz AXHJPHXJYIKZSZ-UTCJRWHESA-N -1 0 341.363 2.835 20 30 EFEDRM O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001602630705 1096334091 /nfs/dbraw/zinc/33/40/91/1096334091.db2.gz ASTKWUKFZJAHSA-HNNXBMFYSA-N -1 0 335.787 2.803 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)c1 ZINC001602653326 1096340385 /nfs/dbraw/zinc/34/03/85/1096340385.db2.gz PEDQIQIHXFXFOB-OWOJBTEDSA-N -1 0 335.362 2.980 20 30 EFEDRM C#CC(C)(C)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001602669884 1096344167 /nfs/dbraw/zinc/34/41/67/1096344167.db2.gz GQZZKLLRVXXFTE-UHFFFAOYSA-N -1 0 343.210 2.974 20 30 EFEDRM C#C[C@@](C)(CC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001602669783 1096344225 /nfs/dbraw/zinc/34/42/25/1096344225.db2.gz BKSQAGZLQWPWBD-KRWDZBQOSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001602672078 1096344741 /nfs/dbraw/zinc/34/47/41/1096344741.db2.gz ZVEIHJIUSCEFAV-AWEZNQCLSA-N -1 0 329.400 2.908 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001602671455 1096344862 /nfs/dbraw/zinc/34/48/62/1096344862.db2.gz TXERRWZOCFJSGI-CQSZACIVSA-N -1 0 327.336 2.861 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602673673 1096346155 /nfs/dbraw/zinc/34/61/55/1096346155.db2.gz IXPXTNJZVUPVGV-OAHLLOKOSA-N -1 0 327.315 2.723 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC001602675088 1096346502 /nfs/dbraw/zinc/34/65/02/1096346502.db2.gz ZBMBYPCBASKZSV-AWEZNQCLSA-N -1 0 338.766 2.660 20 30 EFEDRM C#CC1CCC(c2nnc(N3CCC(C(=O)[O-])CC3)n2CC=C)CC1 ZINC001602677458 1096347669 /nfs/dbraw/zinc/34/76/69/1096347669.db2.gz YPWVMCDRVAHUFN-UHFFFAOYSA-N -1 0 342.443 2.672 20 30 EFEDRM C#CC[C@H](NC(=O)C(CC)(CC)COCc1ccccc1)C(=O)[O-] ZINC001602685820 1096350108 /nfs/dbraw/zinc/35/01/08/1096350108.db2.gz ZYBYXNCQOGOIOD-INIZCTEOSA-N -1 0 331.412 2.602 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602693339 1096350695 /nfs/dbraw/zinc/35/06/95/1096350695.db2.gz QAADAWLFXVSFML-CYBMUJFWSA-N -1 0 346.383 2.548 20 30 EFEDRM C#CCC[C@H](O)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001602701692 1096353098 /nfs/dbraw/zinc/35/30/98/1096353098.db2.gz TVCNVCRRDFIISQ-AWEZNQCLSA-N -1 0 337.375 2.556 20 30 EFEDRM C#CCC1(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCCCC1 ZINC001602699760 1096354057 /nfs/dbraw/zinc/35/40/57/1096354057.db2.gz JBZACHUPPYWXFZ-UHFFFAOYSA-N -1 0 332.404 2.551 20 30 EFEDRM C#CCCCCCc1nnc(COc2ccccc2-c2nn[nH]n2)o1 ZINC001602711155 1096354553 /nfs/dbraw/zinc/35/45/53/1096354553.db2.gz KMDMQOGYKLTLLG-UHFFFAOYSA-N -1 0 338.371 2.565 20 30 EFEDRM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001602702665 1096354581 /nfs/dbraw/zinc/35/45/81/1096354581.db2.gz PYUQRXRNEXEEPT-JTQLQIEISA-N -1 0 335.425 2.938 20 30 EFEDRM C#CCCOC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001602708485 1096355008 /nfs/dbraw/zinc/35/50/08/1096355008.db2.gz SBKTXIYRTBWRLE-QGZVFWFLSA-N -1 0 325.364 2.833 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC(C)C ZINC001602710929 1096355044 /nfs/dbraw/zinc/35/50/44/1096355044.db2.gz VTJDZZWMEQHQLE-SFHVURJKSA-N -1 0 332.448 2.581 20 30 EFEDRM C#CCCCCNC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001602705212 1096355303 /nfs/dbraw/zinc/35/53/03/1096355303.db2.gz JKAMHLZVLBEYRC-LBPRGKRZSA-N -1 0 335.429 2.800 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001602708553 1096355381 /nfs/dbraw/zinc/35/53/81/1096355381.db2.gz VJWFWRQZMQGBIW-UHFFFAOYSA-N -1 0 327.380 2.701 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1CC(C)C ZINC001602710805 1096355427 /nfs/dbraw/zinc/35/54/27/1096355427.db2.gz PLIYRHRWEWMNAS-MRXNPFEDSA-N -1 0 346.475 2.971 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC001602708305 1096355535 /nfs/dbraw/zinc/35/55/35/1096355535.db2.gz MEXSQSOWLGWMIA-MIFYACCESA-N -1 0 329.396 2.803 20 30 EFEDRM C#CCO[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001602726236 1096356168 /nfs/dbraw/zinc/35/61/68/1096356168.db2.gz MXADWGMDUUBMJY-OAHLLOKOSA-N -1 0 347.370 2.761 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001602719639 1096356427 /nfs/dbraw/zinc/35/64/27/1096356427.db2.gz SGSVLPKMTMSZPJ-UHFFFAOYSA-N -1 0 328.412 2.867 20 30 EFEDRM C#CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C(=O)OC(C)(C)C ZINC001602715786 1096356609 /nfs/dbraw/zinc/35/66/09/1096356609.db2.gz SARVSMYIKDBADJ-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC001602715372 1096356640 /nfs/dbraw/zinc/35/66/40/1096356640.db2.gz GAOCBLCKTBUECK-UHFFFAOYSA-N -1 0 340.354 2.598 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001602734094 1096358787 /nfs/dbraw/zinc/35/87/87/1096358787.db2.gz JUZGPEWCGSAUBN-UHFFFAOYSA-N -1 0 340.331 2.519 20 30 EFEDRM C#CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001602734090 1096358831 /nfs/dbraw/zinc/35/88/31/1096358831.db2.gz JUOCZLXWMRTCSF-XLIONFOSSA-N -1 0 335.359 2.896 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(COc2ccccc2F)on1)C(=O)[O-] ZINC001602748444 1096361023 /nfs/dbraw/zinc/36/10/23/1096361023.db2.gz ABWIEIOUVDOYDO-AWEZNQCLSA-N -1 0 348.330 2.542 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1c(F)ccc(Br)c1F)C(=O)[O-] ZINC001602748721 1096361872 /nfs/dbraw/zinc/36/18/72/1096361872.db2.gz IICCFQMJSRJSRA-SECBINFHSA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)C(=O)[O-] ZINC001602754646 1096362871 /nfs/dbraw/zinc/36/28/71/1096362871.db2.gz PWEHUTZULSLVNJ-SNVBAGLBSA-N -1 0 341.289 2.502 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1Cl)C(=O)[O-] ZINC001602754492 1096363427 /nfs/dbraw/zinc/36/34/27/1096363427.db2.gz KTKJEUPUZYPHOM-LBPRGKRZSA-N -1 0 340.763 2.668 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)[O-] ZINC001602754570 1096363433 /nfs/dbraw/zinc/36/34/33/1096363433.db2.gz NJCMXLMXLYRDQO-NSHDSACASA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001602749242 1096363883 /nfs/dbraw/zinc/36/38/83/1096363883.db2.gz RMTKIBCKMYWPQL-SECBINFHSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1)C(=O)[O-] ZINC001602750826 1096363942 /nfs/dbraw/zinc/36/39/42/1096363942.db2.gz YTCAAAQWNWCWDQ-FNOHHLHBSA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001602762034 1096366164 /nfs/dbraw/zinc/36/61/64/1096366164.db2.gz OFKNOHAVVSTYDQ-UHFFFAOYSA-N -1 0 347.342 2.828 20 30 EFEDRM C=C(C)COc1cc(CNc2cnn(CC(=O)[O-])c2C)ccc1OC ZINC001602764755 1096366256 /nfs/dbraw/zinc/36/62/56/1096366256.db2.gz PIKQPBBKNWCRGZ-UHFFFAOYSA-N -1 0 345.399 2.852 20 30 EFEDRM C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602765676 1096366264 /nfs/dbraw/zinc/36/62/64/1096366264.db2.gz GQNIIFQYLMGBSW-STQMWFEESA-N -1 0 336.436 2.641 20 30 EFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCC(=O)NCc1ccco1 ZINC001602764923 1096366722 /nfs/dbraw/zinc/36/67/22/1096366722.db2.gz XYRCVJCGNULJOM-UHFFFAOYSA-N -1 0 329.352 2.792 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001602761801 1096366781 /nfs/dbraw/zinc/36/67/81/1096366781.db2.gz DTPUHNQXZWTZRS-UHFFFAOYSA-N -1 0 343.379 2.618 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001602768403 1096367018 /nfs/dbraw/zinc/36/70/18/1096367018.db2.gz HJCLEEJAVKXINQ-UONOGXRCSA-N -1 0 334.464 2.990 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001602766358 1096367994 /nfs/dbraw/zinc/36/79/94/1096367994.db2.gz ZHBCZMXPLAESGS-RBSFLKMASA-N -1 0 345.447 2.808 20 30 EFEDRM C=C(CC)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001602774799 1096368462 /nfs/dbraw/zinc/36/84/62/1096368462.db2.gz XGMSOCRBIQZKBG-KGLIPLIRSA-N -1 0 338.354 2.741 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC001602781636 1096369264 /nfs/dbraw/zinc/36/92/64/1096369264.db2.gz APDTXEFWXCSMHB-UHFFFAOYSA-N -1 0 337.803 2.883 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001602777611 1096369430 /nfs/dbraw/zinc/36/94/30/1096369430.db2.gz AEEUTXSUPLJAIB-GFCCVEGCSA-N -1 0 345.374 2.918 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC001602776196 1096369684 /nfs/dbraw/zinc/36/96/84/1096369684.db2.gz NJFQWLUQIVBTMI-OAHLLOKOSA-N -1 0 342.439 2.850 20 30 EFEDRM C=C[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1 ZINC001602780099 1096369727 /nfs/dbraw/zinc/36/97/27/1096369727.db2.gz IUQXSWAMFKFYSV-CQSZACIVSA-N -1 0 337.358 2.592 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001602776802 1096369788 /nfs/dbraw/zinc/36/97/88/1096369788.db2.gz YZNFLFXSGQVIIO-CYBMUJFWSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC001602777855 1096369828 /nfs/dbraw/zinc/36/98/28/1096369828.db2.gz GRDJJZZAEAIECO-LBPRGKRZSA-N -1 0 343.383 2.897 20 30 EFEDRM C=C(Cl)C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)OCC ZINC001602788482 1096370147 /nfs/dbraw/zinc/37/01/47/1096370147.db2.gz KAOFZHNBZNTARA-DTWKUNHWSA-N -1 0 332.809 2.566 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001602785717 1096370249 /nfs/dbraw/zinc/37/02/49/1096370249.db2.gz GUEJRQMIGRGKAE-KBPBESRZSA-N -1 0 332.400 2.660 20 30 EFEDRM C=CC(C)(C)CC(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC001602786866 1096370422 /nfs/dbraw/zinc/37/04/22/1096370422.db2.gz NSZHOYADEXJQGA-UHFFFAOYSA-N -1 0 345.472 2.818 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001602785718 1096370506 /nfs/dbraw/zinc/37/05/06/1096370506.db2.gz GUEJRQMIGRGKAE-OKILXGFUSA-N -1 0 332.400 2.660 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(-c2cccnc2)nc2ccccn21 ZINC001602785971 1096370691 /nfs/dbraw/zinc/37/06/91/1096370691.db2.gz SRJXARNLLJFFLO-UHFFFAOYSA-N -1 0 336.351 2.756 20 30 EFEDRM C=C(CNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccccc1 ZINC001602788234 1096371171 /nfs/dbraw/zinc/37/11/71/1096371171.db2.gz FYRCNFZSXUFQTQ-UHFFFAOYSA-N -1 0 329.356 2.621 20 30 EFEDRM C=C1CCC(CNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)CC1 ZINC001602792104 1096371500 /nfs/dbraw/zinc/37/15/00/1096371500.db2.gz MQLSZBZSAZMFMO-UHFFFAOYSA-N -1 0 332.400 2.939 20 30 EFEDRM C=C(Cl)C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)OCC ZINC001602788714 1096371520 /nfs/dbraw/zinc/37/15/20/1096371520.db2.gz MUGDGUJXZJSEAK-LBPRGKRZSA-N -1 0 345.823 2.602 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001602792190 1096371828 /nfs/dbraw/zinc/37/18/28/1096371828.db2.gz QVFIHSRWWJFMQN-GFUWMAFRSA-N -1 0 333.409 2.656 20 30 EFEDRM C=C[C@H](C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1)c1ccccc1 ZINC001602801640 1096372280 /nfs/dbraw/zinc/37/22/80/1096372280.db2.gz RVRCQCDFRYWSBV-OXJNMPFZSA-N -1 0 343.423 2.565 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001602791509 1096372770 /nfs/dbraw/zinc/37/27/70/1096372770.db2.gz SMVAWWDCKJWCMA-ZACQAIPSSA-N -1 0 328.412 2.823 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602807827 1096373830 /nfs/dbraw/zinc/37/38/30/1096373830.db2.gz WGXXRQXVAJDJMN-UHFFFAOYSA-N -1 0 343.383 2.523 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001602807409 1096374276 /nfs/dbraw/zinc/37/42/76/1096374276.db2.gz JNANKRKGWFDZRE-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=C[C@@H](N[C@@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602817063 1096375780 /nfs/dbraw/zinc/37/57/80/1096375780.db2.gz UTSJKSDDIMDQEE-SJORKVTESA-N -1 0 327.380 2.543 20 30 EFEDRM C=C[C@](C)(O)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001602809005 1096376035 /nfs/dbraw/zinc/37/60/35/1096376035.db2.gz ANFLCISNRVULSP-JXFKEZNVSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@H](N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC)C(=O)[O-] ZINC001602816187 1096376199 /nfs/dbraw/zinc/37/61/99/1096376199.db2.gz KAVDAHQWCPXOHF-QWHCGFSZSA-N -1 0 346.210 2.696 20 30 EFEDRM C=C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)[O-] ZINC001602829257 1096379559 /nfs/dbraw/zinc/37/95/59/1096379559.db2.gz YMZQXGNILMNIJI-AWEZNQCLSA-N -1 0 344.440 2.594 20 30 EFEDRM C=CCC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833459 1096379951 /nfs/dbraw/zinc/37/99/51/1096379951.db2.gz MWEASWTUBVAYOU-ZDUSSCGKSA-N -1 0 332.371 2.648 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccncc1 ZINC001602841936 1096382380 /nfs/dbraw/zinc/38/23/80/1096382380.db2.gz ANROVFCUJFZCJS-CMPLNLGQSA-N -1 0 346.412 2.914 20 30 EFEDRM C=CC[C@H](OC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)C(=O)[O-] ZINC001602849579 1096383977 /nfs/dbraw/zinc/38/39/77/1096383977.db2.gz PGVGXXRWAOPQBM-LBPRGKRZSA-N -1 0 349.774 2.724 20 30 EFEDRM C=CC[C@H](Sc1n[nH]c(-c2ccc(OC)cc2OC)n1)C(=O)[O-] ZINC001602849221 1096384157 /nfs/dbraw/zinc/38/41/57/1096384157.db2.gz MEKQWYRZBXJHMF-LBPRGKRZSA-N -1 0 335.385 2.610 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCOCC1 ZINC001602849965 1096384204 /nfs/dbraw/zinc/38/42/04/1096384204.db2.gz PQYYNLQASKZMSL-UHFFFAOYSA-N -1 0 329.356 2.573 20 30 EFEDRM C=CCC1(NC(=O)Nc2cccc(C(=O)[O-])c2OC)CCOCC1 ZINC001602851457 1096384234 /nfs/dbraw/zinc/38/42/34/1096384234.db2.gz MILZBBASZUOZGK-UHFFFAOYSA-N -1 0 334.372 2.640 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(CC)nc2onc(CCC)c21)C(=O)[O-] ZINC001602849831 1096384398 /nfs/dbraw/zinc/38/43/98/1096384398.db2.gz RPFRZYLRQAVBRT-ZDUSSCGKSA-N -1 0 332.356 2.924 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001602855181 1096385394 /nfs/dbraw/zinc/38/53/94/1096385394.db2.gz JGRYWFQCWQPVFN-MCIONIFRSA-N -1 0 326.462 2.581 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)c2cc(C(=O)[O-])on2)cc1 ZINC001602856047 1096385704 /nfs/dbraw/zinc/38/57/04/1096385704.db2.gz QUJAPJGTWQVFBF-UHFFFAOYSA-N -1 0 344.323 2.635 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001602856225 1096386561 /nfs/dbraw/zinc/38/65/61/1096386561.db2.gz ZBRSIRVWHKRBDX-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602860321 1096387685 /nfs/dbraw/zinc/38/76/85/1096387685.db2.gz ARQOTYJLPXZFCN-GFCCVEGCSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)nc(C2CC2)nc1SC)C(=O)[O-] ZINC001602865859 1096389146 /nfs/dbraw/zinc/38/91/46/1096389146.db2.gz SHDPXUQZCBLYOE-GFCCVEGCSA-N -1 0 349.456 2.924 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602865467 1096389182 /nfs/dbraw/zinc/38/91/82/1096389182.db2.gz KMUXDXUUHGENMB-RRFJBIMHSA-N -1 0 332.356 2.624 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)C(=O)[O-] ZINC001602869249 1096389370 /nfs/dbraw/zinc/38/93/70/1096389370.db2.gz AOBVIBXMJWIFBR-HNNXBMFYSA-N -1 0 341.367 2.808 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1)C(=O)[O-] ZINC001602869608 1096390534 /nfs/dbraw/zinc/39/05/34/1096390534.db2.gz CZIYZNLOCJCRSH-CYBMUJFWSA-N -1 0 343.383 2.616 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc21)C(=O)[O-] ZINC001602870860 1096390713 /nfs/dbraw/zinc/39/07/13/1096390713.db2.gz IGANDSGMMFHUHB-AWEZNQCLSA-N -1 0 332.331 2.619 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnnc(-c2ccccc2)c1)C(=O)[O-] ZINC001602873055 1096390770 /nfs/dbraw/zinc/39/07/70/1096390770.db2.gz PLRNMYZPVGTBLR-HNNXBMFYSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602875008 1096391025 /nfs/dbraw/zinc/39/10/25/1096391025.db2.gz PWUBJPPOFYKBAV-GJZGRUSLSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCCn1cc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)nn1 ZINC001602884703 1096391454 /nfs/dbraw/zinc/39/14/54/1096391454.db2.gz PASZPVXAUVYHDA-CYBMUJFWSA-N -1 0 347.444 2.654 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(CC)C(C)(C)C(=O)[O-])cc1 ZINC001602880900 1096392089 /nfs/dbraw/zinc/39/20/89/1096392089.db2.gz LKZNDPPVDMZSPN-UHFFFAOYSA-N -1 0 325.430 2.679 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)[C@H](C)COC ZINC001602887517 1096392225 /nfs/dbraw/zinc/39/22/25/1096392225.db2.gz ZDWKFUCYZRIIAZ-GFCCVEGCSA-N -1 0 335.404 2.506 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001602893527 1096393944 /nfs/dbraw/zinc/39/39/44/1096393944.db2.gz AMONGYJQLQSCPS-UHFFFAOYSA-N -1 0 349.861 2.584 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)[C@H](C)CCCCC(=O)[O-] ZINC001602906053 1096394936 /nfs/dbraw/zinc/39/49/36/1096394936.db2.gz BDOYOEIXDSDFLH-GFCCVEGCSA-N -1 0 344.419 2.613 20 30 EFEDRM CC(=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O)c1csc(Cl)c1 ZINC001602912492 1096399139 /nfs/dbraw/zinc/39/91/39/1096399139.db2.gz RRFGZFKCULIESM-UHFFFAOYSA-N -1 0 348.819 2.632 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001602920719 1096399287 /nfs/dbraw/zinc/39/92/87/1096399287.db2.gz UDJWMMVTYYCTDI-UHFFFAOYSA-N -1 0 330.340 2.549 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(Cl)cc(C)c2O)o1 ZINC001602912470 1096399514 /nfs/dbraw/zinc/39/95/14/1096399514.db2.gz QNXXGDVNFWGZRX-UHFFFAOYSA-N -1 0 347.766 2.667 20 30 EFEDRM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)o1 ZINC001602911745 1096399907 /nfs/dbraw/zinc/39/99/07/1096399907.db2.gz IJDSEHRWQFKOHC-UHFFFAOYSA-N -1 0 329.364 2.791 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001602921813 1096400851 /nfs/dbraw/zinc/40/08/51/1096400851.db2.gz UKQNCNCYZBLDPB-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@H]1CCCO1 ZINC001602925826 1096400913 /nfs/dbraw/zinc/40/09/13/1096400913.db2.gz BESGDOVRTBZUAK-BXUZGUMPSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COC(F)(F)F ZINC001602926007 1096400988 /nfs/dbraw/zinc/40/09/88/1096400988.db2.gz KQLUWIRPVQBGIX-UHFFFAOYSA-N -1 0 334.246 2.564 20 30 EFEDRM C=CCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc1OC ZINC001602921949 1096401236 /nfs/dbraw/zinc/40/12/36/1096401236.db2.gz FPNGURGICZDXKO-UHFFFAOYSA-N -1 0 343.335 2.710 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COC1CCCC1 ZINC001602926288 1096401256 /nfs/dbraw/zinc/40/12/56/1096401256.db2.gz ZJHWNPGJBKVZTL-UHFFFAOYSA-N -1 0 334.368 2.987 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001602925152 1096401439 /nfs/dbraw/zinc/40/14/39/1096401439.db2.gz SPRMIQOXKAKVNE-HIFRSBDPSA-N -1 0 332.400 2.694 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001602922001 1096401464 /nfs/dbraw/zinc/40/14/64/1096401464.db2.gz ZIONWGKHLUHRPQ-SRABZTEZSA-N -1 0 344.411 2.550 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(CC)nn1C ZINC001602925857 1096401471 /nfs/dbraw/zinc/40/14/71/1096401471.db2.gz DJMCNHLAFVUKNY-UHFFFAOYSA-N -1 0 344.367 2.637 20 30 EFEDRM C=CCn1c(S[C@@H](CC(C)C)C(=O)[O-])nnc1-c1cnccn1 ZINC001602936680 1096403601 /nfs/dbraw/zinc/40/36/01/1096403601.db2.gz DLPISLGSIMWYGK-LBPRGKRZSA-N -1 0 333.417 2.513 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@H]3CC=C(C(=O)[O-])C3)cc2n1 ZINC001602940952 1096403936 /nfs/dbraw/zinc/40/39/36/1096403936.db2.gz UVPKEBWLPGZPIU-ZDUSSCGKSA-N -1 0 326.356 2.517 20 30 EFEDRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001602984436 1096416251 /nfs/dbraw/zinc/41/62/51/1096416251.db2.gz LYHKSHSJNXFMIE-FMIVXFBMSA-N -1 0 332.787 2.960 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1cccc(-n2cnnc2)c1 ZINC001602992164 1096417815 /nfs/dbraw/zinc/41/78/15/1096417815.db2.gz MAIOOUOLSYORER-UHFFFAOYSA-N -1 0 339.330 2.941 20 30 EFEDRM CC(=NNc1cnn(C)c1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001602992338 1096417823 /nfs/dbraw/zinc/41/78/23/1096417823.db2.gz SGKCOAFOQKCTGT-UHFFFAOYSA-N -1 0 329.385 2.873 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccccc1-n1ccnn1 ZINC001602992336 1096417842 /nfs/dbraw/zinc/41/78/42/1096417842.db2.gz SDOZUYCPJDAUSZ-UHFFFAOYSA-N -1 0 339.330 2.941 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001603099240 1096441253 /nfs/dbraw/zinc/44/12/53/1096441253.db2.gz DEMGCAKHVUCFQX-UHFFFAOYSA-N -1 0 326.308 2.542 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001603099540 1096441612 /nfs/dbraw/zinc/44/16/12/1096441612.db2.gz MEKKYPBGVUBALQ-UHFFFAOYSA-N -1 0 326.283 2.850 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cccc(SCC#N)c1 ZINC001603102059 1096442896 /nfs/dbraw/zinc/44/28/96/1096442896.db2.gz MKDALXKSHZGPOW-UHFFFAOYSA-N -1 0 343.364 2.783 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2c(F)cccc2F)o1 ZINC001603122145 1096451306 /nfs/dbraw/zinc/45/13/06/1096451306.db2.gz HRLIDLBXHCSTKM-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603129989 1096455148 /nfs/dbraw/zinc/45/51/48/1096455148.db2.gz PYSQGSJJPKZUPE-CABZTGNLSA-N -1 0 343.305 2.789 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001603131930 1096455275 /nfs/dbraw/zinc/45/52/75/1096455275.db2.gz OTAHMZUODUWEBF-RISCZKNCSA-N -1 0 333.388 2.988 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603182105 1096467615 /nfs/dbraw/zinc/46/76/15/1096467615.db2.gz YBPZZXUORNLHEJ-UGSOOPFHSA-N -1 0 349.390 2.569 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001603181183 1096467935 /nfs/dbraw/zinc/46/79/35/1096467935.db2.gz OQFUKFFDAUZYQH-ZDUSSCGKSA-N -1 0 349.390 2.642 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccccc1 ZINC001603187990 1096468894 /nfs/dbraw/zinc/46/88/94/1096468894.db2.gz RFFOSNIBDIDAEY-MVWJERBFSA-N -1 0 343.305 2.592 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001603188502 1096469001 /nfs/dbraw/zinc/46/90/01/1096469001.db2.gz ZMAHNZKPEVFSBI-BZNIZROVSA-N -1 0 326.327 2.889 20 30 EFEDRM CC(C)(C#N)CNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001603230316 1096478849 /nfs/dbraw/zinc/47/88/49/1096478849.db2.gz JOXLUFRZBDSOTA-UONOGXRCSA-N -1 0 349.818 2.699 20 30 EFEDRM CC(C)(C#N)CNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001603230627 1096479367 /nfs/dbraw/zinc/47/93/67/1096479367.db2.gz QUPNCFCNPYYQLA-UHFFFAOYSA-N -1 0 343.427 2.899 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC001603253873 1096487154 /nfs/dbraw/zinc/48/71/54/1096487154.db2.gz ZNWALMGPQUTJNA-CQSZACIVSA-N -1 0 335.448 2.993 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2ccccc2C#N)cc1 ZINC001603275128 1096490972 /nfs/dbraw/zinc/49/09/72/1096490972.db2.gz ZTBSIEKQMSNEOF-UHFFFAOYSA-N -1 0 345.376 2.688 20 30 EFEDRM CC(C)CC[C@@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603278515 1096493069 /nfs/dbraw/zinc/49/30/69/1096493069.db2.gz QPJKXXVTZFMUPP-RYUDHWBXSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)(C(=O)OCc1nc(C(=O)[O-])cs1)c1cc(F)cc(C#N)c1 ZINC001603293948 1096497769 /nfs/dbraw/zinc/49/77/69/1096497769.db2.gz SRHUUGOPNONQPB-UHFFFAOYSA-N -1 0 348.355 2.873 20 30 EFEDRM CC(C)(C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(O)cc1 ZINC001603293481 1096497865 /nfs/dbraw/zinc/49/78/65/1096497865.db2.gz JFOBINPJQDUSPI-INIZCTEOSA-N -1 0 339.347 2.911 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CS[C@@H](C(C)C)C2)o1 ZINC001603308748 1096501705 /nfs/dbraw/zinc/50/17/05/1096501705.db2.gz UVZIGBNRWLOYEQ-LLVKDONJSA-N -1 0 349.464 2.983 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCOc3ccccc32)o1 ZINC001603407284 1096522237 /nfs/dbraw/zinc/52/22/37/1096522237.db2.gz QUVPIZVFHXKHEW-UHFFFAOYSA-N -1 0 339.359 2.577 20 30 EFEDRM CC(C)(C)c1ccc(C#N)c(N(CCC(=O)[O-])C[C@@H]2CCCO2)n1 ZINC001603533612 1096545830 /nfs/dbraw/zinc/54/58/30/1096545830.db2.gz WHTCXXVUXGXCFV-AWEZNQCLSA-N -1 0 331.416 2.711 20 30 EFEDRM CC(CSCCF)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001603572597 1096555322 /nfs/dbraw/zinc/55/53/22/1096555322.db2.gz POMWJZTVMIVVCA-UHFFFAOYSA-N -1 0 341.416 2.643 20 30 EFEDRM CC(C)Oc1c(NCC(=O)N[C@](C)(C#N)C(C)C)cccc1C(=O)[O-] ZINC001603933855 1096672350 /nfs/dbraw/zinc/67/23/50/1096672350.db2.gz PDAMHHOUAZZVRA-GOSISDBHSA-N -1 0 347.415 2.638 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001603943236 1096677095 /nfs/dbraw/zinc/67/70/95/1096677095.db2.gz VCKSQNGVRCXRPW-WCQYABFASA-N -1 0 331.372 2.986 20 30 EFEDRM CC[C@@H](CC#N)Nc1cc(Br)c(-c2nn[nH]n2)cc1F ZINC001604014805 1096698275 /nfs/dbraw/zinc/69/82/75/1096698275.db2.gz ZAECTNWHBRKTPR-ZETCQYMHSA-N -1 0 339.172 2.872 20 30 EFEDRM CC[C@H](CC#N)Nc1cc(Br)c(-c2nn[nH]n2)cc1F ZINC001604014804 1096698562 /nfs/dbraw/zinc/69/85/62/1096698562.db2.gz ZAECTNWHBRKTPR-SSDOTTSWSA-N -1 0 339.172 2.872 20 30 EFEDRM CC[C@@H](CC#N)OC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001604013284 1096698790 /nfs/dbraw/zinc/69/87/90/1096698790.db2.gz GWTQOFFFSKBMPB-HNNXBMFYSA-N -1 0 339.399 2.914 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@]1(C#N)CC2CCC1CC2)c1ccccn1 ZINC001604077196 1096722412 /nfs/dbraw/zinc/72/24/12/1096722412.db2.gz BITVCICHXNAELS-IJWHBOBBSA-N -1 0 341.411 2.608 20 30 EFEDRM C[C@@H](CCC#N)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001604130891 1096745970 /nfs/dbraw/zinc/74/59/70/1096745970.db2.gz WPSAGUFVPTXYEI-UGSOOPFHSA-N -1 0 345.447 2.786 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001604222403 1096777140 /nfs/dbraw/zinc/77/71/40/1096777140.db2.gz CPPHYYIJDYSWGW-INIZCTEOSA-N -1 0 332.356 2.575 20 30 EFEDRM C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001604236878 1096782593 /nfs/dbraw/zinc/78/25/93/1096782593.db2.gz QUMHNHRQAXTFLG-OAHLLOKOSA-N -1 0 339.395 2.732 20 30 EFEDRM C[C@H](NC(=O)C#Cc1cccs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604255610 1096787510 /nfs/dbraw/zinc/78/75/10/1096787510.db2.gz IXNCLBJKBWSZDB-XJKSGUPXSA-N -1 0 327.405 2.548 20 30 EFEDRM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC001604318705 1096804962 /nfs/dbraw/zinc/80/49/62/1096804962.db2.gz KWBSQBIUJGHYIW-MFKMUULPSA-N -1 0 328.372 2.715 20 30 EFEDRM C[C@@](O)(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001604367012 1096829713 /nfs/dbraw/zinc/82/97/13/1096829713.db2.gz IPTSTQKQUMHDPJ-IEBWSBKVSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001604426374 1096848834 /nfs/dbraw/zinc/84/88/34/1096848834.db2.gz DOWXIPYLDIYPFA-LRDDRELGSA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1F)C(=O)[O-] ZINC001604438254 1096854468 /nfs/dbraw/zinc/85/44/68/1096854468.db2.gz JMMMACIFPBAWJA-VIFPVBQESA-N -1 0 346.289 2.941 20 30 EFEDRM C[C@@H](c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1)C(F)(F)F ZINC001604459916 1096864718 /nfs/dbraw/zinc/86/47/18/1096864718.db2.gz GKJDSYMAXQKEEO-JTQLQIEISA-N -1 0 328.290 2.793 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001604481106 1096875252 /nfs/dbraw/zinc/87/52/52/1096875252.db2.gz ODAHDAVAFYJEPP-FZMZJTMJSA-N -1 0 343.408 2.847 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001604481110 1096875578 /nfs/dbraw/zinc/87/55/78/1096875578.db2.gz ODAHDAVAFYJEPP-SMDDNHRTSA-N -1 0 343.408 2.847 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001604482600 1096876319 /nfs/dbraw/zinc/87/63/19/1096876319.db2.gz JOCKMEFEZRZQTB-INIZCTEOSA-N -1 0 349.412 2.677 20 30 EFEDRM CC1(C)C[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C(C)(C)O1 ZINC001604513367 1096886281 /nfs/dbraw/zinc/88/62/81/1096886281.db2.gz NXCLLZVGRBULNU-KGLIPLIRSA-N -1 0 331.368 2.821 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001604519029 1096888948 /nfs/dbraw/zinc/88/89/48/1096888948.db2.gz OILPSEXJDPDORX-KRWDZBQOSA-N -1 0 344.392 2.509 20 30 EFEDRM CC1(C)CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@H]1C#N ZINC001604536384 1096897674 /nfs/dbraw/zinc/89/76/74/1096897674.db2.gz ZCTBAFVHJAXAIE-INIZCTEOSA-N -1 0 339.395 2.880 20 30 EFEDRM CC1(C)CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)[C@H]1C#N ZINC001604536395 1096898313 /nfs/dbraw/zinc/89/83/13/1096898313.db2.gz ZNLRUDHYEWCANS-AWEZNQCLSA-N -1 0 340.383 2.548 20 30 EFEDRM C[C@H]1C(=O)CC[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001604621432 1096916015 /nfs/dbraw/zinc/91/60/15/1096916015.db2.gz VTXZZWZSTOHUFF-XHDPSFHLSA-N -1 0 343.379 2.941 20 30 EFEDRM C[C@H]1CCc2nc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c(C#N)cc2C1 ZINC001604766590 1096950598 /nfs/dbraw/zinc/95/05/98/1096950598.db2.gz IRHMXXYLNPPIFQ-SDDRHHMPSA-N -1 0 327.384 2.517 20 30 EFEDRM CN(CCc1cccc(C#N)c1)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001604791877 1096954949 /nfs/dbraw/zinc/95/49/49/1096954949.db2.gz ORFDUTGPPXVBBT-UHFFFAOYSA-N -1 0 345.819 2.527 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CC#Cc1ccccc1 ZINC001604811896 1096962082 /nfs/dbraw/zinc/96/20/82/1096962082.db2.gz XMSSXDDXPRYBEG-KRWDZBQOSA-N -1 0 334.419 2.947 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCc2ccc(F)cc21 ZINC001604812237 1096964133 /nfs/dbraw/zinc/96/41/33/1096964133.db2.gz UJGDFZJBLATMTJ-LLVKDONJSA-N -1 0 325.343 2.957 20 30 EFEDRM CC[C@H](C#N)[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccs1 ZINC001604865237 1096972205 /nfs/dbraw/zinc/97/22/05/1096972205.db2.gz WMWFWROYQBZECV-RNCFNFMXSA-N -1 0 333.369 2.628 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)CSc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001604937291 1096984451 /nfs/dbraw/zinc/98/44/51/1096984451.db2.gz XTMLCGRBGOBABP-LKFCYVNXSA-N -1 0 340.832 2.919 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001604986001 1096993768 /nfs/dbraw/zinc/99/37/68/1096993768.db2.gz CQFCMIQCMALXLL-LSDHHAIUSA-N -1 0 343.379 2.665 20 30 EFEDRM CCC(CC)(NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001605004616 1096997691 /nfs/dbraw/zinc/99/76/91/1096997691.db2.gz HTDHZFPSIJNQTA-UHFFFAOYSA-N -1 0 327.302 2.817 20 30 EFEDRM COCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)C1CCCC1 ZINC001605036603 1097007211 /nfs/dbraw/zinc/00/72/11/1097007211.db2.gz RXRFYUPNOZCXCH-UHFFFAOYSA-N -1 0 347.423 2.658 20 30 EFEDRM CCC[C@@H](C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001605191774 1097047992 /nfs/dbraw/zinc/04/79/92/1097047992.db2.gz FPCWCNKTGRJZPJ-NSHDSACASA-N -1 0 325.162 2.569 20 30 EFEDRM CCCC[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001605247300 1097067486 /nfs/dbraw/zinc/06/74/86/1097067486.db2.gz GZMNUPRKYSVRMP-BBRMVZONSA-N -1 0 348.374 2.710 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001605249649 1097067584 /nfs/dbraw/zinc/06/75/84/1097067584.db2.gz HDPNDZKNDXSNGU-CABCVRRESA-N -1 0 336.388 2.605 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)c([O-])c1 ZINC001605255314 1097070018 /nfs/dbraw/zinc/07/00/18/1097070018.db2.gz KRDWWNJRBRCVCP-YVMONPNESA-N -1 0 340.314 2.616 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001605261589 1097071556 /nfs/dbraw/zinc/07/15/56/1097071556.db2.gz YFBORQKKJFAQBY-GFCCVEGCSA-N -1 0 344.820 2.523 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605267518 1097074386 /nfs/dbraw/zinc/07/43/86/1097074386.db2.gz XTROXBJYBSIYAH-GDBMZVCRSA-N -1 0 342.480 2.850 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-] ZINC001605267163 1097074688 /nfs/dbraw/zinc/07/46/88/1097074688.db2.gz RJUVHPCSYPERMR-KGLIPLIRSA-N -1 0 327.421 2.602 20 30 EFEDRM CCN(CCC#N)C(=O)CNc1ccc(C(=O)[O-])c2ccccc12 ZINC001605437992 1097124763 /nfs/dbraw/zinc/12/47/63/1097124763.db2.gz VDDNYBQKUQCXAV-UHFFFAOYSA-N -1 0 325.368 2.712 20 30 EFEDRM CCNc1ccc(Cl)cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605501320 1097139275 /nfs/dbraw/zinc/13/92/75/1097139275.db2.gz OSPOLQUUMVSMRI-UHFFFAOYSA-N -1 0 335.791 2.602 20 30 EFEDRM CCNc1ccc(C#N)cc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001605501561 1097139286 /nfs/dbraw/zinc/13/92/86/1097139286.db2.gz SKDDZJQRDLZVCE-UHFFFAOYSA-N -1 0 338.367 2.739 20 30 EFEDRM Cc1cc(C=CC(=O)c2csc(C(=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001605652168 1097180946 /nfs/dbraw/zinc/18/09/46/1097180946.db2.gz FDJANWOYQWHTQS-HWKANZROSA-N -1 0 340.364 2.831 20 30 EFEDRM CCOc1cc(C(=O)OC2(CC#N)CCC2)ccc1OCC(=O)[O-] ZINC001605665920 1097185563 /nfs/dbraw/zinc/18/55/63/1097185563.db2.gz LYXCNPXAFYQSMR-UHFFFAOYSA-N -1 0 333.340 2.542 20 30 EFEDRM Cc1cc(OC(=O)C2(c3cccc(-c4nn[nH]n4)c3)CC2)ccc1C#N ZINC001605744611 1097213319 /nfs/dbraw/zinc/21/33/19/1097213319.db2.gz KLKJMALYGQOVPJ-UHFFFAOYSA-N -1 0 345.362 2.684 20 30 EFEDRM CCc1[nH]c(CN2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)[O-] ZINC001605771862 1097220591 /nfs/dbraw/zinc/22/05/91/1097220591.db2.gz LINMSHWZLROOQW-UHFFFAOYSA-N -1 0 338.411 2.728 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2ccc(C#N)cc2OC)c(C)c1C(=O)[O-] ZINC001605770578 1097221306 /nfs/dbraw/zinc/22/13/06/1097221306.db2.gz BUQCBYNLSCSNFL-UHFFFAOYSA-N -1 0 342.351 2.821 20 30 EFEDRM CCc1[nH]c(CN2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C(=O)[O-] ZINC001605772974 1097221656 /nfs/dbraw/zinc/22/16/56/1097221656.db2.gz YXLBYVPDUPELEB-GOSISDBHSA-N -1 0 339.395 2.720 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605804538 1097232346 /nfs/dbraw/zinc/23/23/46/1097232346.db2.gz ODRKATHLHZYYSA-FQEVSTJZSA-N -1 0 339.366 2.856 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001605807931 1097233626 /nfs/dbraw/zinc/23/36/26/1097233626.db2.gz XKTXXVYQXPKXHH-CYBMUJFWSA-N -1 0 329.381 2.741 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001605807645 1097234112 /nfs/dbraw/zinc/23/41/12/1097234112.db2.gz OQKUSBHYTNXXQG-GVDBMIGSSA-N -1 0 344.411 2.684 20 30 EFEDRM CCc1nc(NC(=O)c2c(F)cc(C#N)cc2F)sc1C(=O)[O-] ZINC001605854763 1097253320 /nfs/dbraw/zinc/25/33/20/1097253320.db2.gz HHSBLJDPUJALDE-UHFFFAOYSA-N -1 0 337.307 2.806 20 30 EFEDRM CCc1noc(CC)c1CC(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001605876541 1097262441 /nfs/dbraw/zinc/26/24/41/1097262441.db2.gz MIQBGYBFEGHMSV-UHFFFAOYSA-N -1 0 341.363 2.635 20 30 EFEDRM CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001605897536 1097269642 /nfs/dbraw/zinc/26/96/42/1097269642.db2.gz MGVVXBAWUKOXFC-GOSISDBHSA-N -1 0 339.399 2.528 20 30 EFEDRM CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001605952623 1097285664 /nfs/dbraw/zinc/28/56/64/1097285664.db2.gz ZXZIEELZSDBVCZ-QJWNTBNXSA-N -1 0 341.338 2.692 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001606019967 1097300311 /nfs/dbraw/zinc/30/03/11/1097300311.db2.gz PHYVIFGGSYZRER-DTWKUNHWSA-N -1 0 343.313 2.930 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001606043861 1097306004 /nfs/dbraw/zinc/30/60/04/1097306004.db2.gz RXKWNVGBQAOLEP-UHFFFAOYSA-N -1 0 341.342 2.643 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC001606043859 1097306033 /nfs/dbraw/zinc/30/60/33/1097306033.db2.gz RUFOQVHGXUMERK-UHFFFAOYSA-N -1 0 342.326 2.819 20 30 EFEDRM CN(C)c1ccc(OC(=O)c2sccc2CC#N)cc1C(=O)[O-] ZINC001606058736 1097309010 /nfs/dbraw/zinc/30/90/10/1097309010.db2.gz MMBJBBOWFXXDSH-UHFFFAOYSA-N -1 0 330.365 2.798 20 30 EFEDRM C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(F)c(C#N)c1 ZINC001606162548 1097332932 /nfs/dbraw/zinc/33/29/32/1097332932.db2.gz AGIICOJVGSVAFD-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM CN(Cc1nccn1Cc1ccccc1)c1ccc(C(=O)[O-])nc1C#N ZINC001606176978 1097338719 /nfs/dbraw/zinc/33/87/19/1097338719.db2.gz DJCYEIYWEDAQEN-UHFFFAOYSA-N -1 0 347.378 2.533 20 30 EFEDRM CN1CCc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC001606250430 1097357713 /nfs/dbraw/zinc/35/77/13/1097357713.db2.gz IFOMOSABMMZYMM-KRWDZBQOSA-N -1 0 336.347 2.533 20 30 EFEDRM N#Cc1ccc(Cl)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167939235 1097383775 /nfs/dbraw/zinc/38/37/75/1097383775.db2.gz RBCWMLKPNKOTHB-UHFFFAOYSA-N -1 0 349.714 2.691 20 30 EFEDRM N#CC(=C([O-])c1cccc(F)c1-c1nn[nH]n1)c1nc2ccccc2o1 ZINC001606336728 1097385961 /nfs/dbraw/zinc/38/59/61/1097385961.db2.gz JOPKDUHCMDYQAK-JTQLQIEISA-N -1 0 348.297 2.637 20 30 EFEDRM N#CC(=C([O-])c1cccc(F)c1-c1nn[nH]n1)c1nc2ccccc2o1 ZINC001606336729 1097386258 /nfs/dbraw/zinc/38/62/58/1097386258.db2.gz JOPKDUHCMDYQAK-SNVBAGLBSA-N -1 0 348.297 2.637 20 30 EFEDRM N#Cc1ncc(N[C@H](C2CCC2)C2CCCCC2)nc1-c1nnn[n-]1 ZINC001606398282 1097398356 /nfs/dbraw/zinc/39/83/56/1097398356.db2.gz UXXVOIAZZKRYHM-HNNXBMFYSA-N -1 0 338.419 2.689 20 30 EFEDRM COC(=O)c1c(F)cc(NCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001606526074 1097413618 /nfs/dbraw/zinc/41/36/18/1097413618.db2.gz GVXCNJNBXHHKLU-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COC(=O)c1cc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1 ZINC001606563503 1097420283 /nfs/dbraw/zinc/42/02/83/1097420283.db2.gz LXKVISXFAVOSHS-SFHVURJKSA-N -1 0 343.335 2.551 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC001606598775 1097426808 /nfs/dbraw/zinc/42/68/08/1097426808.db2.gz MEAFEKVENXSXIU-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC(=O)c1ccc(Oc2ccc(C(=O)[O-])nc2C#N)c(Cl)c1 ZINC001606602376 1097427741 /nfs/dbraw/zinc/42/77/41/1097427741.db2.gz UMMHQUNPJDRPNP-UHFFFAOYSA-N -1 0 332.699 2.884 20 30 EFEDRM COC(=O)c1cccnc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606621481 1097430876 /nfs/dbraw/zinc/43/08/76/1097430876.db2.gz CGUWHKKKMUIPGM-ZDUSSCGKSA-N -1 0 328.349 2.658 20 30 EFEDRM CO[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CCCCC1 ZINC001606652623 1097436831 /nfs/dbraw/zinc/43/68/31/1097436831.db2.gz YVIFUIXYQMCGMU-INIZCTEOSA-N -1 0 331.368 2.895 20 30 EFEDRM COCc1cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc(C(=O)[O-])c1 ZINC001606947720 1097478278 /nfs/dbraw/zinc/47/82/78/1097478278.db2.gz NFESXVMJWKIUMS-IUODEOHRSA-N -1 0 331.372 2.687 20 30 EFEDRM CON=Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001606996216 1097492459 /nfs/dbraw/zinc/49/24/59/1097492459.db2.gz NFHOXKPLNACYEF-UHFFFAOYSA-N -1 0 338.363 2.564 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001606995739 1097492712 /nfs/dbraw/zinc/49/27/12/1097492712.db2.gz AAOONJWCNCVELH-INIZCTEOSA-N -1 0 327.336 2.520 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccoc1CC(=O)[O-] ZINC001607065464 1097503911 /nfs/dbraw/zinc/50/39/11/1097503911.db2.gz PTOALULMFPQECJ-UHFFFAOYSA-N -1 0 335.699 2.660 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)Cc1ccccc1C(=O)[O-] ZINC001607065495 1097504143 /nfs/dbraw/zinc/50/41/43/1097504143.db2.gz QIOSYOUWTJQOAA-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001607152958 1097544380 /nfs/dbraw/zinc/54/43/80/1097544380.db2.gz FGWNERYMNJXYJR-SNAWJCMRSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(CNC(=O)Nc2cc(C(=O)[O-])cs2)ccc1C#N ZINC001607161809 1097547288 /nfs/dbraw/zinc/54/72/88/1097547288.db2.gz QOQYFOHXCZASQM-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(F)cc1C#N ZINC001607175568 1097550953 /nfs/dbraw/zinc/55/09/53/1097550953.db2.gz URJQLBVXKFYSTN-LLVKDONJSA-N -1 0 349.362 2.815 20 30 EFEDRM COc1cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(F)cc1C#N ZINC001607176590 1097551062 /nfs/dbraw/zinc/55/10/62/1097551062.db2.gz CMWOBKNAEPAGQX-UHFFFAOYSA-N -1 0 349.362 2.815 20 30 EFEDRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c(F)cc1C#N ZINC001607179057 1097552832 /nfs/dbraw/zinc/55/28/32/1097552832.db2.gz MMWXPPKRKAYBME-UHFFFAOYSA-N -1 0 328.299 2.965 20 30 EFEDRM COc1cc(OC(=O)[C@H](C)Oc2ccccc2C#N)ccc1C(=O)[O-] ZINC001607183433 1097553458 /nfs/dbraw/zinc/55/34/58/1097553458.db2.gz QWVIGOZKTGMDHT-NSHDSACASA-N -1 0 341.319 2.638 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1C#N ZINC001607191993 1097556282 /nfs/dbraw/zinc/55/62/82/1097556282.db2.gz UOMHQKYUTCEAIM-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1cccc(C(=O)[O-])c1C ZINC001607299287 1097589717 /nfs/dbraw/zinc/58/97/17/1097589717.db2.gz ZNDDBRUJAWPMIY-UHFFFAOYSA-N -1 0 342.351 2.919 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(C)c(C#N)c2)c1 ZINC001607308322 1097593836 /nfs/dbraw/zinc/59/38/36/1097593836.db2.gz RAISNOCOGNDPDP-KRWDZBQOSA-N -1 0 338.363 2.773 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cscc2C#N)c1 ZINC001607307520 1097593897 /nfs/dbraw/zinc/59/38/97/1097593897.db2.gz DVFVXTRJRZGYGL-AWEZNQCLSA-N -1 0 330.365 2.526 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C#N)c(Cl)n1 ZINC001607307690 1097594001 /nfs/dbraw/zinc/59/40/01/1097594001.db2.gz ZCLWKAVUJSSHSZ-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM COc1cccc(O)c1/C=N\[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607326851 1097602389 /nfs/dbraw/zinc/60/23/89/1097602389.db2.gz UNJBHBXHAYISOH-BRCWOUGOSA-N -1 0 335.425 2.949 20 30 EFEDRM COc1cccc(O)c1/C=N/[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607326858 1097602557 /nfs/dbraw/zinc/60/25/57/1097602557.db2.gz UNJBHBXHAYISOH-XMANUNQDSA-N -1 0 335.425 2.949 20 30 EFEDRM CSc1ccc(CNC(=O)Cc2cccc(C(=O)[O-])c2)cc1C#N ZINC001607408651 1097621881 /nfs/dbraw/zinc/62/18/81/1097621881.db2.gz NOYUNFWPFHICPM-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM CSc1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC001607409394 1097622823 /nfs/dbraw/zinc/62/28/23/1097622823.db2.gz NVZZBZVBPDOIIJ-ZDUSSCGKSA-N -1 0 348.424 2.801 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1CC(=O)[O-] ZINC001607432291 1097627829 /nfs/dbraw/zinc/62/78/29/1097627829.db2.gz RESYUXKQRMDLBM-SRCQZFHVSA-N -1 0 341.411 2.688 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001607484486 1097637768 /nfs/dbraw/zinc/63/77/68/1097637768.db2.gz LIBYAAZUELHAIE-CQSZACIVSA-N -1 0 331.759 2.794 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001607483913 1097638051 /nfs/dbraw/zinc/63/80/51/1097638051.db2.gz AAZXOBWEHAEZRK-AWEZNQCLSA-N -1 0 331.759 2.794 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC001607496344 1097643189 /nfs/dbraw/zinc/64/31/89/1097643189.db2.gz XTBLITJBSHNWEO-AWEZNQCLSA-N -1 0 326.352 2.869 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCSC[C@H]1C(=O)[O-] ZINC001607507374 1097645693 /nfs/dbraw/zinc/64/56/93/1097645693.db2.gz PKLZOVKEFBYDMH-LBPRGKRZSA-N -1 0 346.433 2.724 20 30 EFEDRM Cc1c(NS(=O)(=O)c2ccc(C#N)cc2)ccc(F)c1C(=O)[O-] ZINC001607551948 1097659301 /nfs/dbraw/zinc/65/93/01/1097659301.db2.gz BDJVPSAGNHFSCN-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1c(NCc2cccc(OCCCC#N)c2)cnn1CC(=O)[O-] ZINC001607550618 1097659324 /nfs/dbraw/zinc/65/93/24/1097659324.db2.gz NCBQPFWXIWRFRF-UHFFFAOYSA-N -1 0 328.372 2.571 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001607564642 1097661760 /nfs/dbraw/zinc/66/17/60/1097661760.db2.gz OPZAONPRMRTSRF-SOLBZPMBSA-N -1 0 340.423 2.819 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001607564226 1097661962 /nfs/dbraw/zinc/66/19/62/1097661962.db2.gz APARVUWYUQJTRZ-IBGZPJMESA-N -1 0 348.402 2.756 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001607565752 1097662660 /nfs/dbraw/zinc/66/26/60/1097662660.db2.gz QEVHRSUEMRLYFK-UHFFFAOYSA-N -1 0 338.363 2.820 20 30 EFEDRM Cc1cc(C#N)nc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC001607566548 1097662855 /nfs/dbraw/zinc/66/28/55/1097662855.db2.gz XFPGORLGMAVKRT-UHFFFAOYSA-N -1 0 336.395 2.814 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001607565247 1097662919 /nfs/dbraw/zinc/66/29/19/1097662919.db2.gz FAJYOMTUTAPDOJ-GOSISDBHSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nn1C(C)C ZINC001607604937 1097673230 /nfs/dbraw/zinc/67/32/30/1097673230.db2.gz SMSSFWCLWQYMLM-HNNXBMFYSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)c1cn(CC(=O)[O-])nn1 ZINC001607611570 1097675821 /nfs/dbraw/zinc/67/58/21/1097675821.db2.gz GIMONICQWPGECF-HWKANZROSA-N -1 0 339.273 2.586 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC001607615114 1097677971 /nfs/dbraw/zinc/67/79/71/1097677971.db2.gz XNZQIDUFQZBWJS-UHFFFAOYSA-N -1 0 337.331 2.721 20 30 EFEDRM Cc1c(/C=C2/COc3cc(C)cc(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001607622681 1097680272 /nfs/dbraw/zinc/68/02/72/1097680272.db2.gz QKGHVFNMOIBTJM-GHXNOFRVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc(C#N)c(Cl)n2)C(=O)[O-])c1 ZINC001607626714 1097681307 /nfs/dbraw/zinc/68/13/07/1097681307.db2.gz HLXQDHIMZUAKIW-CQSZACIVSA-N -1 0 343.770 2.779 20 30 EFEDRM Cc1cc(CNc2ncc(Br)cc2C#N)oc1C(=O)[O-] ZINC001607650927 1097690479 /nfs/dbraw/zinc/69/04/79/1097690479.db2.gz RKIGRQRREGPMTR-UHFFFAOYSA-N -1 0 336.145 2.928 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2C)cnn1CCC#N ZINC001607663845 1097693863 /nfs/dbraw/zinc/69/38/63/1097693863.db2.gz DJEQHZNZSKIXQN-HNNXBMFYSA-N -1 0 345.330 2.535 20 30 EFEDRM Cc1cc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)ncc1C#N ZINC001607686405 1097698745 /nfs/dbraw/zinc/69/87/45/1097698745.db2.gz IGLJGVMWWRYFMT-AWEZNQCLSA-N -1 0 330.388 2.664 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001607709614 1097705377 /nfs/dbraw/zinc/70/53/77/1097705377.db2.gz LLDJFJUKTHUITE-UHFFFAOYSA-N -1 0 340.291 2.830 20 30 EFEDRM Cc1cc2c(NC(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]c2cc1C#N ZINC001607712514 1097705862 /nfs/dbraw/zinc/70/58/62/1097705862.db2.gz NVLFIXGOAIZIRW-UHFFFAOYSA-N -1 0 338.298 2.833 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2cc(C(=O)[O-])cc(F)c2C)ccc1C#N ZINC001607710148 1097706283 /nfs/dbraw/zinc/70/62/83/1097706283.db2.gz WNLQSWHNPVJEGH-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc(C#N)nc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001607724060 1097710264 /nfs/dbraw/zinc/71/02/64/1097710264.db2.gz BURMURPNRBHQSG-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607724228 1097710351 /nfs/dbraw/zinc/71/03/51/1097710351.db2.gz IGPWUJILICRYSO-RDTXWAMCSA-N -1 0 327.384 2.975 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001607724987 1097710537 /nfs/dbraw/zinc/71/05/37/1097710537.db2.gz IZEBWIMDHLRPQH-ZHACJKMWSA-N -1 0 329.396 2.980 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001607725158 1097710550 /nfs/dbraw/zinc/71/05/50/1097710550.db2.gz QGIZHHFJRMLSQK-VOTSOKGWSA-N -1 0 343.301 2.600 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001607724525 1097710600 /nfs/dbraw/zinc/71/06/00/1097710600.db2.gz QLPHLOOZTKJABP-HNNXBMFYSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCc2cc(C#N)ccc21 ZINC001607741522 1097716588 /nfs/dbraw/zinc/71/65/88/1097716588.db2.gz LXNYUSVCUPRHEM-UHFFFAOYSA-N -1 0 349.390 2.956 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC001607745901 1097717880 /nfs/dbraw/zinc/71/78/80/1097717880.db2.gz NVRNPGYZLSVYRO-MRXNPFEDSA-N -1 0 341.363 2.578 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)c2[nH]c3ccccc3c2C#N)C(=O)[O-])cc1 ZINC001607757145 1097722139 /nfs/dbraw/zinc/72/21/39/1097722139.db2.gz HDUKPKKLSPIKPB-INIZCTEOSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC001607792212 1097734276 /nfs/dbraw/zinc/73/42/76/1097734276.db2.gz VZACPMZUJWMFNS-UHFFFAOYSA-N -1 0 340.383 2.617 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C)c(C#N)c2)C(=O)[O-])c1 ZINC001607850177 1097753124 /nfs/dbraw/zinc/75/31/24/1097753124.db2.gz WVNACLYKHCYCKT-SFHVURJKSA-N -1 0 336.391 2.848 20 30 EFEDRM Cc1cccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1C ZINC001607855662 1097756315 /nfs/dbraw/zinc/75/63/15/1097756315.db2.gz HTYDXOFZOIAOTF-UHFFFAOYSA-N -1 0 326.352 2.991 20 30 EFEDRM Cc1csc(NC(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)c1C#N ZINC001607933134 1097781112 /nfs/dbraw/zinc/78/11/12/1097781112.db2.gz ZPJHYSVGRPRKIP-UHFFFAOYSA-N -1 0 347.400 2.860 20 30 EFEDRM Cc1nc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1C#N ZINC001607946019 1097784562 /nfs/dbraw/zinc/78/45/62/1097784562.db2.gz PJUSJJNHVZWBKN-MRXNPFEDSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1nc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C)s1 ZINC001607953447 1097787475 /nfs/dbraw/zinc/78/74/75/1097787475.db2.gz ZLPGXNGZTMXOTC-UHFFFAOYSA-N -1 0 330.365 2.616 20 30 EFEDRM Cc1nc(NC(=O)CC(C)(C)CC(=O)[O-])sc1SCC#N ZINC001607962444 1097790096 /nfs/dbraw/zinc/79/00/96/1097790096.db2.gz HVBJVYCOFZHZFF-UHFFFAOYSA-N -1 0 327.431 2.897 20 30 EFEDRM Cc1nc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001607963278 1097791290 /nfs/dbraw/zinc/79/12/90/1097791290.db2.gz YWNSVHVLUAQYJJ-VIFPVBQESA-N -1 0 329.381 2.839 20 30 EFEDRM Cc1noc(C(F)F)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001608024159 1097808087 /nfs/dbraw/zinc/80/80/87/1097808087.db2.gz LMFHJGBLIVSUSQ-UHFFFAOYSA-N -1 0 336.250 2.848 20 30 EFEDRM Cc1nocc1/C=C1/CC(C(=O)[O-])C/C(=C/c2conc2C)C1=O ZINC001608029948 1097810331 /nfs/dbraw/zinc/81/03/31/1097810331.db2.gz YYAWNKSAYIHZDA-CBIKUMSCSA-N -1 0 328.324 2.810 20 30 EFEDRM Cc1oc(CN(C)C(=O)C(F)(F)c2ccccc2C#N)cc1C(=O)[O-] ZINC001608044717 1097814437 /nfs/dbraw/zinc/81/44/37/1097814437.db2.gz VFUOCLZRYPTBNV-UHFFFAOYSA-N -1 0 348.305 2.908 20 30 EFEDRM Cc1oc(CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1C(=O)[O-] ZINC001608048392 1097815508 /nfs/dbraw/zinc/81/55/08/1097815508.db2.gz IHOYTKNNNDTPDZ-SFHVURJKSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)C#Cc2cccs2)nc1C(=O)[O-] ZINC001608067319 1097823205 /nfs/dbraw/zinc/82/32/05/1097823205.db2.gz SMQGLEYOFQODQO-GFCCVEGCSA-N -1 0 346.433 2.926 20 30 EFEDRM Cc1sc([C@@H]2CCCN2Cc2ccnc(C#N)c2)nc1C(=O)[O-] ZINC001608068194 1097824680 /nfs/dbraw/zinc/82/46/80/1097824680.db2.gz LXSALVTWXQBRBL-ZDUSSCGKSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)CCc2ccc(C#N)cc2)c1C(=O)[O-] ZINC001608079215 1097827983 /nfs/dbraw/zinc/82/79/83/1097827983.db2.gz QLKJGFRLVGVSRI-UHFFFAOYSA-N -1 0 348.362 2.714 20 30 EFEDRM Cn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001608091911 1097831993 /nfs/dbraw/zinc/83/19/93/1097831993.db2.gz TYRSCGSKPPOSMT-CQSZACIVSA-N -1 0 345.447 2.622 20 30 EFEDRM Cn1cc(C=NNc2cccc(F)c2C(=O)[O-])c(-c2cccnc2)n1 ZINC001608106247 1097835964 /nfs/dbraw/zinc/83/59/64/1097835964.db2.gz ALACHKICFBKFJD-UHFFFAOYSA-N -1 0 339.330 2.765 20 30 EFEDRM Cn1cnc(-c2ccc(OCc3cccc(C(=O)[O-])c3C#N)cc2)n1 ZINC001608132064 1097842355 /nfs/dbraw/zinc/84/23/55/1097842355.db2.gz YULOQNKTMULHKE-UHFFFAOYSA-N -1 0 334.335 2.631 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001608172529 1097850596 /nfs/dbraw/zinc/85/05/96/1097850596.db2.gz JLQURVXPFQJQGY-HZPDHXFCSA-N -1 0 326.396 2.787 20 30 EFEDRM N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001608173711 1097850618 /nfs/dbraw/zinc/85/06/18/1097850618.db2.gz KXWPJPGIVZSLTQ-MJVIPROJSA-N -1 0 337.322 2.834 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001608173609 1097850847 /nfs/dbraw/zinc/85/08/47/1097850847.db2.gz ZNTWOJPCZBBGGT-UHFFFAOYSA-N -1 0 345.157 2.963 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC1 ZINC001608173112 1097850973 /nfs/dbraw/zinc/85/09/73/1097850973.db2.gz TVPIDSTVTKLCHE-UHFFFAOYSA-N -1 0 349.749 2.791 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC001608171540 1097851048 /nfs/dbraw/zinc/85/10/48/1097851048.db2.gz OFBYUBXNWYDFGD-INIZCTEOSA-N -1 0 341.411 2.928 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1 ZINC001608172072 1097851095 /nfs/dbraw/zinc/85/10/95/1097851095.db2.gz ARTKAFSHXJGQRA-UHFFFAOYSA-N -1 0 348.428 2.634 20 30 EFEDRM N#CC1(CCCOC(=O)c2ccc(/C=C\C(=O)[O-])o2)CCOCC1 ZINC001608175008 1097851479 /nfs/dbraw/zinc/85/14/79/1097851479.db2.gz LCCFGQZFQMGLBK-HYXAFXHYSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC001608175061 1097851527 /nfs/dbraw/zinc/85/15/27/1097851527.db2.gz NCEGDPUIEHBQQG-UHFFFAOYSA-N -1 0 339.351 2.728 20 30 EFEDRM N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001608174456 1097851586 /nfs/dbraw/zinc/85/15/86/1097851586.db2.gz YYHQKFVQRSQNPY-HNNXBMFYSA-N -1 0 345.301 2.884 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2cccc3cc(C(=O)[O-])ccc32)CCC1 ZINC001608175729 1097851642 /nfs/dbraw/zinc/85/16/42/1097851642.db2.gz MMKGKNFBJCQHRM-UHFFFAOYSA-N -1 0 345.376 2.940 20 30 EFEDRM N#CC1(CC(=O)O[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])CC1 ZINC001608175930 1097851822 /nfs/dbraw/zinc/85/18/22/1097851822.db2.gz KVKVTIMFSQLCAK-LBPRGKRZSA-N -1 0 341.285 2.938 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC(CC(=O)[O-])C1 ZINC001608174247 1097852149 /nfs/dbraw/zinc/85/21/49/1097852149.db2.gz WFRJLMFYIVBWAZ-BNICSPFPSA-N -1 0 341.411 2.721 20 30 EFEDRM N#C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCC1 ZINC001608174458 1097852252 /nfs/dbraw/zinc/85/22/52/1097852252.db2.gz ZGNMLKHVQKZOOB-HNNXBMFYSA-N -1 0 325.368 2.607 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])on1)c1c(Cl)cccc1Cl ZINC001608174406 1097852286 /nfs/dbraw/zinc/85/22/86/1097852286.db2.gz XNVLABUDQUPVDZ-VIFPVBQESA-N -1 0 340.122 2.674 20 30 EFEDRM N#C[C@]1(F)CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001608176197 1097852970 /nfs/dbraw/zinc/85/29/70/1097852970.db2.gz WRSNHXBCYKMGLE-CYBMUJFWSA-N -1 0 329.690 2.647 20 30 EFEDRM N#CC1CCC(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001608177782 1097853145 /nfs/dbraw/zinc/85/31/45/1097853145.db2.gz AKBOJZCIRVFECA-UHFFFAOYSA-N -1 0 341.371 2.713 20 30 EFEDRM N#CC[C@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001608179463 1097853458 /nfs/dbraw/zinc/85/34/58/1097853458.db2.gz YXMBQZCEYQQYSI-INIZCTEOSA-N -1 0 348.362 2.757 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001608179466 1097853522 /nfs/dbraw/zinc/85/35/22/1097853522.db2.gz YXMBQZCEYQQYSI-MRXNPFEDSA-N -1 0 348.362 2.757 20 30 EFEDRM N#CC1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCOCC1 ZINC001608176296 1097853543 /nfs/dbraw/zinc/85/35/43/1097853543.db2.gz RYYGZCBAULIVIQ-UHFFFAOYSA-N -1 0 334.397 2.584 20 30 EFEDRM N#CCOc1cccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001608187321 1097854319 /nfs/dbraw/zinc/85/43/19/1097854319.db2.gz SVRVHNADOSIXAV-UHFFFAOYSA-N -1 0 341.323 2.736 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001608183627 1097854365 /nfs/dbraw/zinc/85/43/65/1097854365.db2.gz IXECVIVNEMTQTE-SFHVURJKSA-N -1 0 338.363 2.634 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001608183900 1097854479 /nfs/dbraw/zinc/85/44/79/1097854479.db2.gz MXPOIWVSYVEIDD-QGZVFWFLSA-N -1 0 329.400 2.572 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001608189201 1097854717 /nfs/dbraw/zinc/85/47/17/1097854717.db2.gz HRGMNXMYNROQDV-UHFFFAOYSA-N -1 0 326.377 2.711 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608189005 1097855134 /nfs/dbraw/zinc/85/51/34/1097855134.db2.gz USCPKLSYWSMFDI-QGZVFWFLSA-N -1 0 343.310 2.640 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001608188324 1097855288 /nfs/dbraw/zinc/85/52/88/1097855288.db2.gz FEUAMAWROKFUBD-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(C(=O)[O-])co1 ZINC001608188569 1097855318 /nfs/dbraw/zinc/85/53/18/1097855318.db2.gz HCRYYMYTRYHLGX-UHFFFAOYSA-N -1 0 335.699 2.891 20 30 EFEDRM N#CCOc1ccc(COC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001608188977 1097855579 /nfs/dbraw/zinc/85/55/79/1097855579.db2.gz SPKGFQQXIRMMER-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(-c3ccoc3)[nH]n2)cccc1C(=O)[O-] ZINC001608190255 1097855850 /nfs/dbraw/zinc/85/58/50/1097855850.db2.gz BKWZEAAXHNYATF-UHFFFAOYSA-N -1 0 337.291 2.597 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001608190955 1097855943 /nfs/dbraw/zinc/85/59/43/1097855943.db2.gz FJRGFEYONOHSMQ-HNNXBMFYSA-N -1 0 325.368 2.803 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(-n3cccc3)nc2)cccc1C(=O)[O-] ZINC001608191333 1097855976 /nfs/dbraw/zinc/85/59/76/1097855976.db2.gz SHCYRDRFEYBLNE-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1c(COC(=O)c2ccn(C3CCCC3)n2)cccc1C(=O)[O-] ZINC001608190976 1097855987 /nfs/dbraw/zinc/85/59/87/1097855987.db2.gz MBOCXVPRBDMHBN-UHFFFAOYSA-N -1 0 339.351 2.925 20 30 EFEDRM N#CCn1c(C(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC001608190119 1097856217 /nfs/dbraw/zinc/85/62/17/1097856217.db2.gz IPMRFMRUUSPOKY-CJNGLKHVSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCn1c(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC001608190118 1097856651 /nfs/dbraw/zinc/85/66/51/1097856651.db2.gz IPMRFMRUUSPOKY-BBRMVZONSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(Cl)ccc2N)cccc1C(=O)[O-] ZINC001608191217 1097856886 /nfs/dbraw/zinc/85/68/86/1097856886.db2.gz QLGDRUNXCMOXEJ-UHFFFAOYSA-N -1 0 330.727 2.849 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC001608194953 1097857347 /nfs/dbraw/zinc/85/73/47/1097857347.db2.gz AJCATMQDACHPRD-UHFFFAOYSA-N -1 0 349.140 2.542 20 30 EFEDRM N#Cc1c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)nc2ccccn12 ZINC001608194282 1097857493 /nfs/dbraw/zinc/85/74/93/1097857493.db2.gz MHVRHVVYCKEQPU-LSDHHAIUSA-N -1 0 332.363 2.511 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)ccc12 ZINC001608195326 1097857784 /nfs/dbraw/zinc/85/77/84/1097857784.db2.gz OCFICNMFEYPYAM-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1F ZINC001608192486 1097858005 /nfs/dbraw/zinc/85/80/05/1097858005.db2.gz QQWWQHUUNCGFIB-LBPRGKRZSA-N -1 0 336.319 2.844 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001608198494 1097858418 /nfs/dbraw/zinc/85/84/18/1097858418.db2.gz JXPWWVTXLFDHCB-HNNXBMFYSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c(F)c1 ZINC001608197320 1097858525 /nfs/dbraw/zinc/85/85/25/1097858525.db2.gz XQDJWNJTABCUCM-AWEZNQCLSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1Cl ZINC001608195694 1097858552 /nfs/dbraw/zinc/85/85/52/1097858552.db2.gz FQSOXTGTBQJBBQ-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1cc(Cl)cc(CS[C@@H]2CCN(CCC(=O)[O-])C2=O)c1 ZINC001608196842 1097858659 /nfs/dbraw/zinc/85/86/59/1097858659.db2.gz KSHQCFHGMJSICW-CYBMUJFWSA-N -1 0 338.816 2.520 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001608198571 1097858810 /nfs/dbraw/zinc/85/88/10/1097858810.db2.gz NZZXTFNMQMNHKN-UHFFFAOYSA-N -1 0 346.346 2.599 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1oncc1C(=O)[O-] ZINC001608195966 1097858886 /nfs/dbraw/zinc/85/88/86/1097858886.db2.gz JUMCLWZRMDVMCE-UHFFFAOYSA-N -1 0 340.213 2.620 20 30 EFEDRM N#Cc1cc(NC(=O)NC2(CC(=O)[O-])CC2)ccc1OC(F)(F)F ZINC001608197508 1097858984 /nfs/dbraw/zinc/85/89/84/1097858984.db2.gz CKNLGWKBKBEVBR-UHFFFAOYSA-N -1 0 343.261 2.586 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])s1 ZINC001608200151 1097859883 /nfs/dbraw/zinc/85/98/83/1097859883.db2.gz DTOFDECJVWCTEO-CYBMUJFWSA-N -1 0 340.360 2.792 20 30 EFEDRM N#Cc1cc2c(n(Cc3cc(C(=O)[O-])ccc3Cl)c1=O)CCC2 ZINC001608198690 1097860222 /nfs/dbraw/zinc/86/02/22/1097860222.db2.gz WEJFCGLMPWETKD-UHFFFAOYSA-N -1 0 328.755 2.609 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC001608204570 1097861642 /nfs/dbraw/zinc/86/16/42/1097861642.db2.gz FKRIMSDIQOXCHY-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2csc(C(=O)[O-])n2)C2CC2)cc1 ZINC001608204502 1097861700 /nfs/dbraw/zinc/86/17/00/1097861700.db2.gz IUPVZINSNVVJJP-UHFFFAOYSA-N -1 0 327.365 2.518 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC001608204704 1097861892 /nfs/dbraw/zinc/86/18/92/1097861892.db2.gz JDVWBNOOVRCKGQ-UHFFFAOYSA-N -1 0 337.307 2.918 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc3ccc(=O)[nH]c32)C(=O)[O-])cc1 ZINC001608203912 1097862340 /nfs/dbraw/zinc/86/23/40/1097862340.db2.gz XZZRTKOWJLFEOD-QGZVFWFLSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001608206990 1097862716 /nfs/dbraw/zinc/86/27/16/1097862716.db2.gz SQXFQISFRGENLO-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1ccc(N(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C2CCC2)cc1 ZINC001608206282 1097862733 /nfs/dbraw/zinc/86/27/33/1097862733.db2.gz IGWIOIRPSUGKKW-DLBZAZTESA-N -1 0 342.395 2.856 20 30 EFEDRM N#Cc1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1F ZINC001608205057 1097862749 /nfs/dbraw/zinc/86/27/49/1097862749.db2.gz VUZMXKJHGNAVSH-UHFFFAOYSA-N -1 0 329.331 2.763 20 30 EFEDRM N#Cc1ccc(F)c(COC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001608206978 1097862800 /nfs/dbraw/zinc/86/28/00/1097862800.db2.gz SCFRQZJTNAMYAV-DNVCBOLYSA-N -1 0 339.322 2.999 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)c1 ZINC001608206063 1097862862 /nfs/dbraw/zinc/86/28/62/1097862862.db2.gz RHFYYPMXRCTGFK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(CNC(=O)COc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001608205160 1097863139 /nfs/dbraw/zinc/86/31/39/1097863139.db2.gz VYPZHJIPBVTTME-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC001608207064 1097863226 /nfs/dbraw/zinc/86/32/26/1097863226.db2.gz AJQUHWQWXPRCNH-UHFFFAOYSA-N -1 0 329.381 2.959 20 30 EFEDRM N#Cc1ccc(CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001608204978 1097863321 /nfs/dbraw/zinc/86/33/21/1097863321.db2.gz SZRRDQFAVJXDHX-CVEARBPZSA-N -1 0 326.396 2.940 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NC2CC(CC(=O)[O-])C2)c1 ZINC001608209155 1097863688 /nfs/dbraw/zinc/86/36/88/1097863688.db2.gz KLNWCJHXDCAYHA-UHFFFAOYSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001608209085 1097863721 /nfs/dbraw/zinc/86/37/21/1097863721.db2.gz IZZXRSHQXFHWMR-XYPYZODXSA-N -1 0 338.310 2.989 20 30 EFEDRM N#Cc1ccc(NC(=S)NC[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001608208336 1097863991 /nfs/dbraw/zinc/86/39/91/1097863991.db2.gz REPSGDKNQUTYEM-LLVKDONJSA-N -1 0 337.832 2.999 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CC4CC3(C(=O)[O-])C4)c2)cc1 ZINC001608209752 1097864183 /nfs/dbraw/zinc/86/41/83/1097864183.db2.gz ZEKUAKCGJYMFAI-UHFFFAOYSA-N -1 0 347.374 2.991 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001608209592 1097864189 /nfs/dbraw/zinc/86/41/89/1097864189.db2.gz UIDWCODROLSXQY-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccc(OCCCSCc2cnc(C(=O)[O-])cn2)cc1 ZINC001608210072 1097864238 /nfs/dbraw/zinc/86/42/38/1097864238.db2.gz CQCAJOJRBHFKMX-UHFFFAOYSA-N -1 0 329.381 2.749 20 30 EFEDRM N#Cc1ccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC001608208937 1097864451 /nfs/dbraw/zinc/86/44/51/1097864451.db2.gz SHQQJYGRPCABQC-CYBMUJFWSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H](CCF)C(=O)[O-])c2)cc1 ZINC001608209746 1097864460 /nfs/dbraw/zinc/86/44/60/1097864460.db2.gz NNYFHEAFPPPVPE-MRXNPFEDSA-N -1 0 342.326 2.893 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC001608208827 1097864475 /nfs/dbraw/zinc/86/44/75/1097864475.db2.gz BQHMYDVVRGSBNI-JTQLQIEISA-N -1 0 339.298 2.631 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001608213844 1097864756 /nfs/dbraw/zinc/86/47/56/1097864756.db2.gz ZEPIYWFWOSQUDW-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(SCc2cn(CC(=O)[O-])nn2)cc1C(F)(F)F ZINC001608213107 1097865243 /nfs/dbraw/zinc/86/52/43/1097865243.db2.gz HMOKJHWZEZTSKJ-UHFFFAOYSA-N -1 0 342.302 2.545 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608214104 1097865402 /nfs/dbraw/zinc/86/54/02/1097865402.db2.gz DPGWEVIQWLGUGL-SFHVURJKSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H](O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216439 1097865894 /nfs/dbraw/zinc/86/58/94/1097865894.db2.gz JWJGWMZCYVZXOZ-CABCVRRESA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)/C=C\c2ccnc(Cl)c2)C(=O)[O-])c1 ZINC001608216457 1097865943 /nfs/dbraw/zinc/86/59/43/1097865943.db2.gz KCGBNJFSJLYYEY-AWFCHZOYSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1cccc([C@@H](N[C@@H]2COc3cc(F)cc(F)c32)C(=O)[O-])c1 ZINC001608216112 1097866092 /nfs/dbraw/zinc/86/60/92/1097866092.db2.gz WGGZHFQWLRVPDA-CZUORRHYSA-N -1 0 330.290 2.685 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC001608215045 1097866184 /nfs/dbraw/zinc/86/61/84/1097866184.db2.gz KZHHIKRVHMVOAQ-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1cccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c1Br ZINC001608215412 1097866328 /nfs/dbraw/zinc/86/63/28/1097866328.db2.gz QTSGYRPHTRNYBF-UHFFFAOYSA-N -1 0 349.184 2.543 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](c3ccsc3)C2)c1 ZINC001608215894 1097866429 /nfs/dbraw/zinc/86/64/29/1097866429.db2.gz TUEDTXSCOTXOJG-HOTGVXAUSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1cccc(OC2CC[NH+](Cc3cccc(C(=O)[O-])n3)CC2)c1 ZINC001608218094 1097867032 /nfs/dbraw/zinc/86/70/32/1097867032.db2.gz FOYJZRBAFIRQJG-UHFFFAOYSA-N -1 0 337.379 2.695 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2C(=O)[O-])c1 ZINC001608218272 1097867091 /nfs/dbraw/zinc/86/70/91/1097867091.db2.gz JFRAUALUOCQICT-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)c1 ZINC001608217835 1097867188 /nfs/dbraw/zinc/86/71/88/1097867188.db2.gz VSSAGWYEINFOSV-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1 ZINC001608218348 1097867369 /nfs/dbraw/zinc/86/73/69/1097867369.db2.gz MNUDFBDWYJBMHY-UHFFFAOYSA-N -1 0 346.726 2.633 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccnn2CC2CCC2)C(=O)[O-])c1 ZINC001608216781 1097867544 /nfs/dbraw/zinc/86/75/44/1097867544.db2.gz UYSCPUDJSUHLQF-MRXNPFEDSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)c2cscc2C(=O)[O-])c1 ZINC001608217975 1097867616 /nfs/dbraw/zinc/86/76/16/1097867616.db2.gz BBQILBCPIWTNJN-UHFFFAOYSA-N -1 0 331.349 2.944 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)COc2ccc(F)cc2F)C(=O)[O-])c1 ZINC001608216764 1097867635 /nfs/dbraw/zinc/86/76/35/1097867635.db2.gz UBRISOFXEWUHTM-MRXNPFEDSA-N -1 0 347.273 2.584 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCc3ccccc3CC(=O)[O-])CC2)c1 ZINC001608216875 1097867723 /nfs/dbraw/zinc/86/77/23/1097867723.db2.gz YYJIZKLINUQXHF-UHFFFAOYSA-N -1 0 349.390 2.674 20 30 EFEDRM N#Cc1cccc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)c1 ZINC001608217837 1097867729 /nfs/dbraw/zinc/86/77/29/1097867729.db2.gz VSSAGWYEINFOSV-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001608217247 1097867748 /nfs/dbraw/zinc/86/77/48/1097867748.db2.gz UAUHUOKGQXQAEK-SFHVURJKSA-N -1 0 337.335 2.699 20 30 EFEDRM N#Cc1cccc(OCCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC001608218797 1097868181 /nfs/dbraw/zinc/86/81/81/1097868181.db2.gz ZDZFCGBBWDWSCW-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001608220603 1097868190 /nfs/dbraw/zinc/86/81/90/1097868190.db2.gz FTLPLZFXKNUDDX-KUFMOJEASA-N -1 0 346.386 2.826 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001608220250 1097868408 /nfs/dbraw/zinc/86/84/08/1097868408.db2.gz RYBMREHYVZWMPG-KTKRTIGZSA-N -1 0 335.315 2.696 20 30 EFEDRM N#Cc1ccsc1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608220589 1097868481 /nfs/dbraw/zinc/86/84/81/1097868481.db2.gz FZRZMHDVHBRAHN-SNVBAGLBSA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1ccnc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001608220817 1097868676 /nfs/dbraw/zinc/86/86/76/1097868676.db2.gz MJMMTHZTMUMQIN-CYBMUJFWSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001608220370 1097868770 /nfs/dbraw/zinc/86/87/70/1097868770.db2.gz AUQQTOIDOIVRTF-CQDKDKBSSA-N -1 0 348.349 2.894 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608220655 1097868798 /nfs/dbraw/zinc/86/87/98/1097868798.db2.gz GUVXTJHFQMFCBP-JEZWAEDTSA-N -1 0 338.338 2.695 20 30 EFEDRM N#Cc1csc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC001608222751 1097869296 /nfs/dbraw/zinc/86/92/96/1097869296.db2.gz WJABQMIVQCJVSF-UHFFFAOYSA-N -1 0 337.351 2.770 20 30 EFEDRM N#Cc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608220942 1097869377 /nfs/dbraw/zinc/86/93/77/1097869377.db2.gz PNLZIIUVXVJBAP-ZIAGYGMSSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1cn(Cc2cncc(C(=O)[O-])c2)c2ccc(Cl)cc2c1=O ZINC001608222890 1097869415 /nfs/dbraw/zinc/86/94/15/1097869415.db2.gz KOHZBEZVWIXMBB-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c(Cl)c1 ZINC001608223343 1097869505 /nfs/dbraw/zinc/86/95/05/1097869505.db2.gz SXBFSTHBZVZLTL-UHFFFAOYSA-N -1 0 345.742 2.582 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001608221600 1097869652 /nfs/dbraw/zinc/86/96/52/1097869652.db2.gz YMYDLZQIRDUUTI-CALCHBBNSA-N -1 0 349.390 2.888 20 30 EFEDRM N#Cc1cnccc1CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001608222928 1097869668 /nfs/dbraw/zinc/86/96/68/1097869668.db2.gz NMLDIHDUJCVMAD-JKSUJKDBSA-N -1 0 343.333 2.532 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001608221814 1097869797 /nfs/dbraw/zinc/86/97/97/1097869797.db2.gz SKSFMIBYJATCFM-OAHLLOKOSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1cnc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(Cl)c1 ZINC001608222867 1097869809 /nfs/dbraw/zinc/86/98/09/1097869809.db2.gz JUKYDSHMMVTXCF-UHFFFAOYSA-N -1 0 327.727 2.508 20 30 EFEDRM N#Cc1ccnc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001608220818 1097869845 /nfs/dbraw/zinc/86/98/45/1097869845.db2.gz MJMMTHZTMUMQIN-ZDUSSCGKSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001608220957 1097869914 /nfs/dbraw/zinc/86/99/14/1097869914.db2.gz MVXAQCMECOGPNY-TWMKSMIVSA-N -1 0 326.396 2.811 20 30 EFEDRM N#Cc1c[nH]nc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001608223494 1097869989 /nfs/dbraw/zinc/86/99/89/1097869989.db2.gz XCEWLHVHAZPCQB-UHFFFAOYSA-N -1 0 332.319 2.899 20 30 EFEDRM N#Cc1nn(Cc2c(C(=O)[O-])sc3cccc(F)c32)cc1[N+](=O)[O-] ZINC001608225504 1097870462 /nfs/dbraw/zinc/87/04/62/1097870462.db2.gz ZOLBTADTMCLMLF-UHFFFAOYSA-N -1 0 346.299 2.763 20 30 EFEDRM N#Cc1sccc1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608225376 1097870855 /nfs/dbraw/zinc/87/08/55/1097870855.db2.gz VGTMONSCACBSQP-VIFPVBQESA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H](O)c1c(F)cccc1Cl ZINC001608224660 1097870941 /nfs/dbraw/zinc/87/09/41/1097870941.db2.gz YENYFKOWBJJNTP-ZDUSSCGKSA-N -1 0 335.722 2.589 20 30 EFEDRM N#Cc1nc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)ccc1Cl ZINC001608225519 1097871012 /nfs/dbraw/zinc/87/10/12/1097871012.db2.gz PRJVGSKTGIDRAT-JGVFFNPUSA-N -1 0 333.697 2.696 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001608224544 1097871044 /nfs/dbraw/zinc/87/10/44/1097871044.db2.gz ULGMNJQTBCWLNP-UFBFGSQYSA-N -1 0 329.278 2.563 20 30 EFEDRM O=C([O-])[C@@H]1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)c2ccccc21 ZINC001608283291 1097880093 /nfs/dbraw/zinc/88/00/93/1097880093.db2.gz AXVNCPVNHBJAIN-YYRKOSNBSA-N -1 0 339.322 2.623 20 30 EFEDRM O=C([O-])c1cnn(CC(=O)Nc2ccccc2C#Cc2ccccc2)c1 ZINC001608375494 1097905867 /nfs/dbraw/zinc/90/58/67/1097905867.db2.gz DYQXDODZFBYUFK-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM O=C([O-])C1=C(C(=O)C2CC2)[C@@H](c2cccs2)NC(=O)N1CC1CC1 ZINC001608587101 1097962173 /nfs/dbraw/zinc/96/21/73/1097962173.db2.gz OTOPGKBQRNVTBJ-CYBMUJFWSA-N -1 0 346.408 2.542 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cnn(C3CCC3)c2)cc1 ZINC001608758184 1098010903 /nfs/dbraw/zinc/01/09/03/1098010903.db2.gz STLZAMFLZKRKGW-WTKPLQERSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([O-])Cn1cccc1C=NNC(=S)Nc1cccc(Cl)c1 ZINC001608799610 1098025370 /nfs/dbraw/zinc/02/53/70/1098025370.db2.gz XUAPCVFSPCWYEL-UHFFFAOYSA-N -1 0 336.804 2.547 20 30 EFEDRM O=C([O-])[C@@H]1[C@H](C/N=C/c2cc(Br)ccc2O)C1(F)F ZINC001608815498 1098030793 /nfs/dbraw/zinc/03/07/93/1098030793.db2.gz BIJBGOSSNRXZCU-SEENSRRZSA-N -1 0 334.116 2.540 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2=NNc1ccnc(C(F)(F)F)c1 ZINC001608866651 1098049305 /nfs/dbraw/zinc/04/93/05/1098049305.db2.gz MDMRXGRPROARQQ-UHFFFAOYSA-N -1 0 339.277 2.605 20 30 EFEDRM O=C([O-])c1ccc(Br)c(N=NCC2CCOCC2)c1 ZINC001608870424 1098051348 /nfs/dbraw/zinc/05/13/48/1098051348.db2.gz CQVYVAQOKYCNPL-UHFFFAOYSA-N -1 0 327.178 2.972 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2ccn(C3CCCC3)n2)c1 ZINC001608928102 1098076779 /nfs/dbraw/zinc/07/67/79/1098076779.db2.gz RWBPCIGVVGIMLS-UHFFFAOYSA-N -1 0 338.363 2.905 20 30 EFEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3c2cccc3F)cc1Cl ZINC001609046398 1098119708 /nfs/dbraw/zinc/11/97/08/1098119708.db2.gz LREMRDRIMKFIHX-UHFFFAOYSA-N -1 0 333.706 2.946 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC001609058353 1098124455 /nfs/dbraw/zinc/12/44/55/1098124455.db2.gz XONNINXHVDITKQ-MRXNPFEDSA-N -1 0 342.326 2.785 20 30 EFEDRM C#C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057931 1098124911 /nfs/dbraw/zinc/12/49/11/1098124911.db2.gz JVSCCZQSWWNGHN-QGZVFWFLSA-N -1 0 340.354 2.740 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC001609058091 1098124931 /nfs/dbraw/zinc/12/49/31/1098124931.db2.gz PAKJHOSCSHFHSH-BFHYXJOUSA-N -1 0 328.195 2.890 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(N)ccc2F)o1 ZINC001609061138 1098125503 /nfs/dbraw/zinc/12/55/03/1098125503.db2.gz HBRSCOFATJEOCP-UHFFFAOYSA-N -1 0 344.354 2.536 20 30 EFEDRM C#CCC(CC#C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001609076827 1098133504 /nfs/dbraw/zinc/13/35/04/1098133504.db2.gz ZPFHFCVZOPDUPE-UHFFFAOYSA-N -1 0 325.389 2.879 20 30 EFEDRM C#CCC(CC#C)C(=O)OCc1cc(Br)ccc1C(=O)[O-] ZINC001609076008 1098133854 /nfs/dbraw/zinc/13/38/54/1098133854.db2.gz BTXZJVJWYNOKOB-UHFFFAOYSA-N -1 0 349.180 2.853 20 30 EFEDRM C#CCC(CC#C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001609076490 1098134267 /nfs/dbraw/zinc/13/42/67/1098134267.db2.gz NXKQVFAYJRNHAR-HXUWFJFHSA-N -1 0 347.414 2.862 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC001609137430 1098162823 /nfs/dbraw/zinc/16/28/23/1098162823.db2.gz UGZVKQMTBMAHPE-UHFFFAOYSA-N -1 0 337.173 2.777 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001609174852 1098182313 /nfs/dbraw/zinc/18/23/13/1098182313.db2.gz QGIMPZJXULHZBJ-UHFFFAOYSA-N -1 0 328.324 2.620 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC001609183784 1098186113 /nfs/dbraw/zinc/18/61/13/1098186113.db2.gz UBSKRGCAJQNQEB-CQSZACIVSA-N -1 0 348.280 2.795 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609190093 1098189099 /nfs/dbraw/zinc/18/90/99/1098189099.db2.gz WZDIRKMLGBHCIA-KXBFYZLASA-N -1 0 335.403 2.659 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001609189961 1098190029 /nfs/dbraw/zinc/19/00/29/1098190029.db2.gz NUJYDKDWGUHBJT-INIZCTEOSA-N -1 0 335.403 2.960 20 30 EFEDRM CCO[C@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001609239249 1098217628 /nfs/dbraw/zinc/21/76/28/1098217628.db2.gz CWEQDTOQOCPALM-JTQLQIEISA-N -1 0 333.396 2.509 20 30 EFEDRM C=C(C)CN(CC)C(=O)COc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001609248204 1098222224 /nfs/dbraw/zinc/22/22/24/1098222224.db2.gz CYQNLHJCBNLVNO-CLFYSBASSA-N -1 0 333.384 2.596 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC001609259499 1098228642 /nfs/dbraw/zinc/22/86/42/1098228642.db2.gz UPLRAVHFIQDFBS-FMIVXFBMSA-N -1 0 343.404 2.776 20 30 EFEDRM C=C[C@H](CC(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001609266930 1098231426 /nfs/dbraw/zinc/23/14/26/1098231426.db2.gz GJOZYEGETMSQBW-HUMVNOLHSA-N -1 0 343.423 2.968 20 30 EFEDRM C=C[C@H](CC(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001609266931 1098232299 /nfs/dbraw/zinc/23/22/99/1098232299.db2.gz GJOZYEGETMSQBW-SSGTUYFUSA-N -1 0 343.423 2.968 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001609267474 1098232605 /nfs/dbraw/zinc/23/26/05/1098232605.db2.gz WCZHFRKSMLLCOB-LPHOPBHVSA-N -1 0 327.380 2.799 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001609287692 1098238989 /nfs/dbraw/zinc/23/89/89/1098238989.db2.gz ZNOSMAGXAUBMSR-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001609290625 1098239229 /nfs/dbraw/zinc/23/92/29/1098239229.db2.gz QPVAHEVMWLQSTA-SSDOTTSWSA-N -1 0 345.182 2.711 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)[O-] ZINC001609287658 1098239553 /nfs/dbraw/zinc/23/95/53/1098239553.db2.gz YSKLWIJMASVXCS-GFCCVEGCSA-N -1 0 332.429 2.688 20 30 EFEDRM C=C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)[O-] ZINC001609287441 1098239807 /nfs/dbraw/zinc/23/98/07/1098239807.db2.gz QLHKCUIVXNTGRQ-LLVKDONJSA-N -1 0 339.804 2.779 20 30 EFEDRM COC1(CC(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCC1 ZINC001609312764 1098245088 /nfs/dbraw/zinc/24/50/88/1098245088.db2.gz PYMRAINBYVIHOX-UHFFFAOYSA-N -1 0 333.396 2.725 20 30 EFEDRM C=CCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001609329276 1098249182 /nfs/dbraw/zinc/24/91/82/1098249182.db2.gz OYGHTKLUJHSOIU-UHFFFAOYSA-N -1 0 332.400 2.919 20 30 EFEDRM C=CCCCCCCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001609329219 1098250084 /nfs/dbraw/zinc/25/00/84/1098250084.db2.gz KNWFACWLHOJYBU-MAUKXSAKSA-N -1 0 338.448 2.646 20 30 EFEDRM COc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1 ZINC001609360612 1098266282 /nfs/dbraw/zinc/26/62/82/1098266282.db2.gz FACOJMYYANCWMG-UHFFFAOYSA-N -1 0 341.375 2.508 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001609371843 1098270852 /nfs/dbraw/zinc/27/08/52/1098270852.db2.gz ZYWCFEWSVKUCQB-LLVKDONJSA-N -1 0 349.412 2.936 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609461623 1098336453 /nfs/dbraw/zinc/33/64/53/1098336453.db2.gz FVKRLLVEGWDYSK-GOSISDBHSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001609460163 1098336479 /nfs/dbraw/zinc/33/64/79/1098336479.db2.gz HQCKACDPZUFNRD-UHFFFAOYSA-N -1 0 340.335 2.527 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001609460157 1098336508 /nfs/dbraw/zinc/33/65/08/1098336508.db2.gz HFUJEEYNGUDEBM-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccnc(C#N)c1 ZINC001609463867 1098338239 /nfs/dbraw/zinc/33/82/39/1098338239.db2.gz CQDFYXMAZBCNPW-UHFFFAOYSA-N -1 0 338.319 2.608 20 30 EFEDRM C=CCc1cc(CNc2ncncc2C(=O)[O-])cc(OC)c1OC ZINC001609463864 1098339006 /nfs/dbraw/zinc/33/90/06/1098339006.db2.gz CNMPVNYEYBEQTH-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM C=CCn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1C(C)(C)C ZINC001609470472 1098342806 /nfs/dbraw/zinc/34/28/06/1098342806.db2.gz VAGPHWDEBLDEKM-UHFFFAOYSA-N -1 0 332.404 2.998 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001609487109 1098354072 /nfs/dbraw/zinc/35/40/72/1098354072.db2.gz CMBJANYFZVWNNJ-PWSUYJOCSA-N -1 0 329.274 2.933 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)cs1 ZINC001609517843 1098365878 /nfs/dbraw/zinc/36/58/78/1098365878.db2.gz REGBIRAACVVUDD-PLNGDYQASA-N -1 0 344.327 2.662 20 30 EFEDRM CC(=NNc1nc2ccccc2n1C)c1ccc(OCC(=O)[O-])cc1 ZINC001609556783 1098379720 /nfs/dbraw/zinc/37/97/20/1098379720.db2.gz KJIKQDUYMVOMLX-UHFFFAOYSA-N -1 0 338.367 2.873 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001609631681 1098410098 /nfs/dbraw/zinc/41/00/98/1098410098.db2.gz LYOQZWDOBCNHEG-KAMYHZANSA-N -1 0 328.368 2.951 20 30 EFEDRM CC(C)(CC(=O)[O-])C(=O)OCc1ccc(C#N)cc1OC(F)F ZINC001609673283 1098422850 /nfs/dbraw/zinc/42/28/50/1098422850.db2.gz ZNUZDFLQMPYCRQ-UHFFFAOYSA-N -1 0 327.283 2.704 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001609673795 1098423024 /nfs/dbraw/zinc/42/30/24/1098423024.db2.gz GNDOIBSSJCYCTO-UHFFFAOYSA-N -1 0 333.388 2.992 20 30 EFEDRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609695941 1098430198 /nfs/dbraw/zinc/43/01/98/1098430198.db2.gz MCCUUZSTDOWTMS-LSDHHAIUSA-N -1 0 335.448 2.991 20 30 EFEDRM CC(C)CCOc1ccc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)cc1 ZINC001609696727 1098430569 /nfs/dbraw/zinc/43/05/69/1098430569.db2.gz LDEXYMKWQYQZTN-YVMONPNESA-N -1 0 343.383 2.684 20 30 EFEDRM CC(C)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC001609708165 1098433093 /nfs/dbraw/zinc/43/30/93/1098433093.db2.gz QDTWYDOFYANWRX-INIZCTEOSA-N -1 0 339.351 2.756 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001609725911 1098438880 /nfs/dbraw/zinc/43/88/80/1098438880.db2.gz WSTORHPDRDTCTB-SSDOTTSWSA-N -1 0 326.150 2.571 20 30 EFEDRM C[C@@H](CCN=Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001609737517 1098442995 /nfs/dbraw/zinc/44/29/95/1098442995.db2.gz AERPZAPBORGRRT-ZETCQYMHSA-N -1 0 330.138 2.866 20 30 EFEDRM Cc1ccc(N=NC(C)CS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC001609747427 1098445147 /nfs/dbraw/zinc/44/51/47/1098445147.db2.gz BWGOXQLPOMJPDM-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM C[C@H](CSc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609750537 1098446215 /nfs/dbraw/zinc/44/62/15/1098446215.db2.gz YDPMLONZXREFRE-CYBMUJFWSA-N -1 0 332.425 2.632 20 30 EFEDRM C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001609761128 1098449683 /nfs/dbraw/zinc/44/96/83/1098449683.db2.gz AHOAZNDRIKPPLD-SNVBAGLBSA-N -1 0 344.396 2.616 20 30 EFEDRM C[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609764950 1098450315 /nfs/dbraw/zinc/45/03/15/1098450315.db2.gz WPPRYUYMRHXVRG-RDTXWAMCSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC001609810453 1098465868 /nfs/dbraw/zinc/46/58/68/1098465868.db2.gz QSQUWTIVMKGWKY-QAPCUYQASA-N -1 0 329.400 2.928 20 30 EFEDRM CC[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001609939020 1098500186 /nfs/dbraw/zinc/50/01/86/1098500186.db2.gz TWEYGAUTXHGDMR-AWEZNQCLSA-N -1 0 326.308 2.766 20 30 EFEDRM CCCCCCCS(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001609968855 1098509561 /nfs/dbraw/zinc/50/95/61/1098509561.db2.gz PDYFQZWQZJVADT-OAHLLOKOSA-N -1 0 341.429 2.639 20 30 EFEDRM CCCc1c(NC(=O)[C@H](C)CC(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001609983465 1098514068 /nfs/dbraw/zinc/51/40/68/1098514068.db2.gz ZVBCTVQFTXSDNJ-GFCCVEGCSA-N -1 0 340.383 2.746 20 30 EFEDRM CCOC(=O)Cc1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001610017431 1098522116 /nfs/dbraw/zinc/52/21/16/1098522116.db2.gz CXDNIJMIDOQTPB-UHFFFAOYSA-N -1 0 338.363 2.974 20 30 EFEDRM CCOCCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCC1 ZINC001610033062 1098526137 /nfs/dbraw/zinc/52/61/37/1098526137.db2.gz OOQAKFFQKPDOCQ-UHFFFAOYSA-N -1 0 331.368 2.897 20 30 EFEDRM CCSCc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610051618 1098531556 /nfs/dbraw/zinc/53/15/56/1098531556.db2.gz KHIJUBGATGACCA-UHFFFAOYSA-N -1 0 332.425 2.770 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001610058475 1098533592 /nfs/dbraw/zinc/53/35/92/1098533592.db2.gz PHIBXHUKLRLLPB-UHFFFAOYSA-N -1 0 345.376 2.895 20 30 EFEDRM CCc1cccc2c1OC/C(=C\c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001610067040 1098537080 /nfs/dbraw/zinc/53/70/80/1098537080.db2.gz HIJNLXWXKJRPRS-XYOKQWHBSA-N -1 0 326.352 2.648 20 30 EFEDRM CCc1nc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC001610074324 1098540177 /nfs/dbraw/zinc/54/01/77/1098540177.db2.gz XSANYBYBVSTCQQ-UHFFFAOYSA-N -1 0 330.365 2.561 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC001610076112 1098540588 /nfs/dbraw/zinc/54/05/88/1098540588.db2.gz MXTOUORLULRXQE-UHFFFAOYSA-N -1 0 326.352 2.501 20 30 EFEDRM CCn1nc(C)c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1C ZINC001610083792 1098543482 /nfs/dbraw/zinc/54/34/82/1098543482.db2.gz UDFWRIDSHCRMKA-JXMROGBWSA-N -1 0 328.368 2.879 20 30 EFEDRM CCn1nc(C)c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1C ZINC001610083793 1098543699 /nfs/dbraw/zinc/54/36/99/1098543699.db2.gz UDFWRIDSHCRMKA-YFHOEESVSA-N -1 0 328.368 2.879 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccccc1[S-] ZINC001269957247 1098547067 /nfs/dbraw/zinc/54/70/67/1098547067.db2.gz RBVCXXKXUVWKHS-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM CN(C)Cc1cnc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001610101015 1098547799 /nfs/dbraw/zinc/54/77/99/1098547799.db2.gz BTNWDWFUEUHSKC-FPLPWBNLSA-N -1 0 346.408 2.564 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001610109620 1098549214 /nfs/dbraw/zinc/54/92/14/1098549214.db2.gz CSRUUWLMFNLXNJ-UHFFFAOYSA-N -1 0 337.401 2.532 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccccc3[S-])C2)C1=O ZINC001269964558 1098551200 /nfs/dbraw/zinc/55/12/00/1098551200.db2.gz WXALGIMAXPVSHN-SFHVURJKSA-N -1 0 330.453 2.616 20 30 EFEDRM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccccc1[S-])CC2 ZINC001269963947 1098551388 /nfs/dbraw/zinc/55/13/88/1098551388.db2.gz OLLROAFRFDAJAU-OAHLLOKOSA-N -1 0 344.480 2.910 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(F)cc1C#N ZINC001610123537 1098553421 /nfs/dbraw/zinc/55/34/21/1098553421.db2.gz DFEDJVFIXWMEIW-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)CC(F)(F)Br ZINC001610123094 1098553546 /nfs/dbraw/zinc/55/35/46/1098553546.db2.gz XCYPDMLHBBGPRZ-UHFFFAOYSA-N -1 0 333.132 2.676 20 30 EFEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc21 ZINC001610128073 1098555283 /nfs/dbraw/zinc/55/52/83/1098555283.db2.gz MPMNWPNCSAYDGX-DAXSKMNVSA-N -1 0 325.320 2.783 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])c(Cl)c2)C1=O ZINC001269982412 1098558405 /nfs/dbraw/zinc/55/84/05/1098558405.db2.gz CMMQPDJOPXZERB-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([O-])c(Cl)c1 ZINC001269983310 1098566544 /nfs/dbraw/zinc/56/65/44/1098566544.db2.gz NLTIGAONQQBKJT-HUUCEWRRSA-N -1 0 348.830 2.827 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC001269983568 1098567267 /nfs/dbraw/zinc/56/72/67/1098567267.db2.gz SOAGAFCNDOATDW-CYBMUJFWSA-N -1 0 348.830 2.590 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)n(C)c1C ZINC001610197170 1098567891 /nfs/dbraw/zinc/56/78/91/1098567891.db2.gz OLPBRSRLRSYLSI-UHFFFAOYSA-N -1 0 349.774 2.918 20 30 EFEDRM COC(=O)c1cc(COc2cc(C#N)cc(OC)c2)cc(C(=O)[O-])c1 ZINC001610201117 1098569387 /nfs/dbraw/zinc/56/93/87/1098569387.db2.gz YTZVWUYKWYEJCT-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])ccc2Cl)nc1 ZINC001610215373 1098575206 /nfs/dbraw/zinc/57/52/06/1098575206.db2.gz HEPAAHWUBIOVKA-UHFFFAOYSA-N -1 0 333.731 2.666 20 30 EFEDRM COCCN(C)c1ccc(C=[NH+][N-]c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001610258302 1098590373 /nfs/dbraw/zinc/59/03/73/1098590373.db2.gz MSDDJBUSMASMEM-UHFFFAOYSA-N -1 0 342.399 2.617 20 30 EFEDRM COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001610263079 1098593119 /nfs/dbraw/zinc/59/31/19/1098593119.db2.gz VQOVBOYZSACZJX-BPLDGKMQSA-N -1 0 332.400 2.885 20 30 EFEDRM COCc1cc(NC(=O)N(CCC#N)CC2CC2)cc(C(=O)[O-])c1 ZINC001610268805 1098593688 /nfs/dbraw/zinc/59/36/88/1098593688.db2.gz KDCQMMGXPZIAMR-UHFFFAOYSA-N -1 0 331.372 2.689 20 30 EFEDRM COCc1cc(NCCOc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001610270095 1098593794 /nfs/dbraw/zinc/59/37/94/1098593794.db2.gz HNQXTJWVXWIXNS-UHFFFAOYSA-N -1 0 326.352 2.894 20 30 EFEDRM COc1cc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001610279267 1098599285 /nfs/dbraw/zinc/59/92/85/1098599285.db2.gz BLTILFSRPWZQOO-PLNGDYQASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1C#N ZINC001610299682 1098608531 /nfs/dbraw/zinc/60/85/31/1098608531.db2.gz XSUNOKWDLKBBED-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1C(=O)[O-] ZINC001610298365 1098608538 /nfs/dbraw/zinc/60/85/38/1098608538.db2.gz DBIYHNUMVLZROI-UHFFFAOYSA-N -1 0 336.347 2.935 20 30 EFEDRM COc1ccc([C@@H](NCc2cc(C#N)ccc2F)C(=O)[O-])c(OC)c1 ZINC001610324758 1098621971 /nfs/dbraw/zinc/62/19/71/1098621971.db2.gz LOZMNMYKOASLCT-QGZVFWFLSA-N -1 0 344.342 2.630 20 30 EFEDRM COc1ccc(NC(=S)NN=C(C)c2cc(C(=O)[O-])co2)cc1 ZINC001610342956 1098630194 /nfs/dbraw/zinc/63/01/94/1098630194.db2.gz YTBVVIRXTIFPIO-UHFFFAOYSA-N -1 0 333.369 2.697 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)o2)cc1 ZINC001610384511 1098649031 /nfs/dbraw/zinc/64/90/31/1098649031.db2.gz FNJZKNBUQBVDCB-CYBMUJFWSA-N -1 0 330.365 2.819 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001610399232 1098656282 /nfs/dbraw/zinc/65/62/82/1098656282.db2.gz RMDHKRHGVFYRON-NSHDSACASA-N -1 0 340.335 2.630 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)Cc1cccc(OCC#N)c1 ZINC001610417005 1098665389 /nfs/dbraw/zinc/66/53/89/1098665389.db2.gz GGIWBGJTLALGSE-UHFFFAOYSA-N -1 0 343.310 2.883 20 30 EFEDRM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610414745 1098665661 /nfs/dbraw/zinc/66/56/61/1098665661.db2.gz ACRASHWZKWVHNC-GFCCVEGCSA-N -1 0 349.818 2.666 20 30 EFEDRM Cc1c(NC(=O)c2sccc2C#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610424752 1098670618 /nfs/dbraw/zinc/67/06/18/1098670618.db2.gz FNBZEFFOBOMRFZ-UHFFFAOYSA-N -1 0 331.309 2.787 20 30 EFEDRM Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC001610434079 1098674917 /nfs/dbraw/zinc/67/49/17/1098674917.db2.gz CMDDNBBRSDJMQH-UHFFFAOYSA-N -1 0 338.363 2.915 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2cc(F)cc(C#N)c2)c1C ZINC001610439192 1098678011 /nfs/dbraw/zinc/67/80/11/1098678011.db2.gz OYFPZRZRBZQOOJ-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)nn1CCC#N ZINC001610473413 1098697078 /nfs/dbraw/zinc/69/70/78/1098697078.db2.gz IDYBPKYBRIUKLT-UHFFFAOYSA-N -1 0 345.334 2.515 20 30 EFEDRM Cc1cc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)nn1CCC#N ZINC001610473494 1098697198 /nfs/dbraw/zinc/69/71/98/1098697198.db2.gz JSEPTEXWEABQNB-GFCCVEGCSA-N -1 0 341.371 2.937 20 30 EFEDRM Cc1cc2cc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)oc2cc1C ZINC001610479409 1098700519 /nfs/dbraw/zinc/70/05/19/1098700519.db2.gz VQBIRRJFGDRRQW-UHFFFAOYSA-N -1 0 326.352 2.880 20 30 EFEDRM Cc1ccc(Oc2ccccc2CC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001610511482 1098723478 /nfs/dbraw/zinc/72/34/78/1098723478.db2.gz QHQVSJOOCNDWOT-UHFFFAOYSA-N -1 0 338.363 2.767 20 30 EFEDRM Cc1cccc(-c2cncc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2)c1 ZINC001610516403 1098726037 /nfs/dbraw/zinc/72/60/37/1098726037.db2.gz UPCUHYYIJFXZEF-UHFFFAOYSA-N -1 0 349.390 2.888 20 30 EFEDRM Cc1ccn(Cc2cc(Br)ccc2C(=O)[O-])c(=O)c1C#N ZINC001610535253 1098739509 /nfs/dbraw/zinc/73/95/09/1098739509.db2.gz VRKTZAUPTVDQNT-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1nc(C(=O)[O-])cn1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001610551974 1098748021 /nfs/dbraw/zinc/74/80/21/1098748021.db2.gz GCFQUXSDQSOSQX-RQZCQDPDSA-N -1 0 339.395 2.770 20 30 EFEDRM Cc1nc(C(C)C)oc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610553465 1098748952 /nfs/dbraw/zinc/74/89/52/1098748952.db2.gz ZVZSCJFQJPZEFD-AWEZNQCLSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1nc(C2CC2)oc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610553959 1098750149 /nfs/dbraw/zinc/75/01/49/1098750149.db2.gz XGFLQAUIWGBDHU-UHFFFAOYSA-N -1 0 326.308 2.787 20 30 EFEDRM Cc1nc(COC(=O)Cc2ccccc2CC#N)sc1C(=O)[O-] ZINC001610556094 1098750927 /nfs/dbraw/zinc/75/09/27/1098750927.db2.gz PPPDXHKEEYKBSF-UHFFFAOYSA-N -1 0 330.365 2.502 20 30 EFEDRM Cc1nnc(SCc2cn3cccc(C(=O)[O-])c3n2)c(C#N)c1C ZINC001610574113 1098761382 /nfs/dbraw/zinc/76/13/82/1098761382.db2.gz OIZWMZWBIVQQHG-UHFFFAOYSA-N -1 0 339.380 2.603 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610581000 1098765635 /nfs/dbraw/zinc/76/56/35/1098765635.db2.gz XHPVDVWSFKVCDK-LBPRGKRZSA-N -1 0 342.351 2.584 20 30 EFEDRM Cn1cc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001610605897 1098781000 /nfs/dbraw/zinc/78/10/00/1098781000.db2.gz KYVZNIZNJPIGQB-UHFFFAOYSA-N -1 0 332.747 2.570 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C(F)(F)c2cccc(Cl)c2)CC1 ZINC001610619150 1098785887 /nfs/dbraw/zinc/78/58/87/1098785887.db2.gz QJXKORBHNQBSRK-UHFFFAOYSA-N -1 0 342.729 2.649 20 30 EFEDRM N#C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001610619378 1098786236 /nfs/dbraw/zinc/78/62/36/1098786236.db2.gz UDQRKNXNHMNLSD-CYBMUJFWSA-N -1 0 349.268 2.793 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)C1 ZINC001610622798 1098787181 /nfs/dbraw/zinc/78/71/81/1098787181.db2.gz BOJONLXGQMGKJF-AXFHLTTASA-N -1 0 348.428 2.536 20 30 EFEDRM N#C[C@]1(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)CC12CCCC2 ZINC001610619605 1098787436 /nfs/dbraw/zinc/78/74/36/1098787436.db2.gz MOLONRFOBGCVFQ-SFHVURJKSA-N -1 0 339.351 2.550 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CC1 ZINC001610619844 1098788092 /nfs/dbraw/zinc/78/80/92/1098788092.db2.gz SNRPYDSLXLXXRS-UHFFFAOYSA-N -1 0 331.349 2.550 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001610623132 1098788320 /nfs/dbraw/zinc/78/83/20/1098788320.db2.gz IQCMTOZEJKZBBU-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001610623639 1098789239 /nfs/dbraw/zinc/78/92/39/1098789239.db2.gz VYOJSFYDORJRHK-KRWDZBQOSA-N -1 0 325.320 2.501 20 30 EFEDRM N#Cc1c(CN2CCOC[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001610623569 1098789504 /nfs/dbraw/zinc/78/95/04/1098789504.db2.gz PVDNYLUFRYHZFS-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cs1 ZINC001610624779 1098789671 /nfs/dbraw/zinc/78/96/71/1098789671.db2.gz ACCLKXQBOSHCIJ-SSDOTTSWSA-N -1 0 333.394 2.518 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001610623476 1098790067 /nfs/dbraw/zinc/79/00/67/1098790067.db2.gz PZFXZBLALKEMPJ-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)ccn1 ZINC001610626143 1098790499 /nfs/dbraw/zinc/79/04/99/1098790499.db2.gz NQLYNTPOUQWTDZ-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c[nH]1 ZINC001610625323 1098790745 /nfs/dbraw/zinc/79/07/45/1098790745.db2.gz NKUWJBMYHGXWCG-GFCCVEGCSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1cc(NC(=O)C23CC(C(=O)[O-])(C2)C3)ccc1Br ZINC001610625790 1098791096 /nfs/dbraw/zinc/79/10/96/1098791096.db2.gz BKRQLZUIJQLNKR-UHFFFAOYSA-N -1 0 335.157 2.514 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2cnc(-c3ccccc3)s2)c1=O ZINC001610625146 1098791126 /nfs/dbraw/zinc/79/11/26/1098791126.db2.gz IZPVUPHTIFSSRX-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001610626150 1098791160 /nfs/dbraw/zinc/79/11/60/1098791160.db2.gz OCAVWNUPTWDZLD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cc(C(=O)OCc2ccoc2C(=O)[O-])cnc1C(F)(F)F ZINC001610625771 1098791171 /nfs/dbraw/zinc/79/11/71/1098791171.db2.gz ZQUQXXOQWXPXEI-UHFFFAOYSA-N -1 0 340.213 2.620 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c[nH]1 ZINC001610624875 1098791243 /nfs/dbraw/zinc/79/12/43/1098791243.db2.gz CWDHVPSERQPMLM-DYVFJYSZSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)CCCC(=O)[O-])cc2)s1 ZINC001610626027 1098791279 /nfs/dbraw/zinc/79/12/79/1098791279.db2.gz IVYLJISOUJQWAF-UHFFFAOYSA-N -1 0 335.406 2.925 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)CCCC2 ZINC001610625886 1098791440 /nfs/dbraw/zinc/79/14/40/1098791440.db2.gz DZLTXCWLTGDFGM-QWHCGFSZSA-N -1 0 327.384 2.662 20 30 EFEDRM N#Cc1c(CNc2ccn(-c3ncccc3F)n2)cccc1C(=O)[O-] ZINC001610624801 1098791506 /nfs/dbraw/zinc/79/15/06/1098791506.db2.gz FWEFAZZBSJVOEJ-UHFFFAOYSA-N -1 0 337.314 2.588 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC001610626852 1098791891 /nfs/dbraw/zinc/79/18/91/1098791891.db2.gz YKDSRRLQEDGZDM-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccsc2C(=O)[O-])cc1 ZINC001610627515 1098792266 /nfs/dbraw/zinc/79/22/66/1098792266.db2.gz KJFQBSMOVYSXLM-AWEZNQCLSA-N -1 0 340.360 2.744 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nc1 ZINC001610626422 1098792276 /nfs/dbraw/zinc/79/22/76/1098792276.db2.gz JRERMEWJZGLYPD-QAPCUYQASA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)[nH]1 ZINC001610626741 1098792514 /nfs/dbraw/zinc/79/25/14/1098792514.db2.gz RBMKJZKWSXGOOF-KRWDZBQOSA-N -1 0 333.347 2.985 20 30 EFEDRM N#Cc1ccc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)[nH]1 ZINC001610628051 1098792849 /nfs/dbraw/zinc/79/28/49/1098792849.db2.gz XZKCBTPVIKEBRL-UHFFFAOYSA-N -1 0 337.291 2.597 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC001610626532 1098792972 /nfs/dbraw/zinc/79/29/72/1098792972.db2.gz NIXJYCIUAIYMFB-AWEZNQCLSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1 ZINC001610627877 1098793048 /nfs/dbraw/zinc/79/30/48/1098793048.db2.gz TXJVMPMDJBCBAU-UHFFFAOYSA-N -1 0 333.347 2.581 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001610629440 1098793963 /nfs/dbraw/zinc/79/39/63/1098793963.db2.gz VIRXGCIDFHUUDG-QWHCGFSZSA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1ccc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610629414 1098794031 /nfs/dbraw/zinc/79/40/31/1098794031.db2.gz UDHAXKRGHIILIB-HNNXBMFYSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCCCCCC(=O)[O-] ZINC001610630933 1098794418 /nfs/dbraw/zinc/79/44/18/1098794418.db2.gz FLWKWAKDOCYMLB-INIZCTEOSA-N -1 0 329.400 2.880 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001610632982 1098795072 /nfs/dbraw/zinc/79/50/72/1098795072.db2.gz OIFGINPZPXDWEU-AATRIKPKSA-N -1 0 336.303 2.637 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC001610632489 1098795873 /nfs/dbraw/zinc/79/58/73/1098795873.db2.gz XINLAVZJKNBNAR-RBUKOAKNSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(Cl)c2O)C(=O)[O-])c1 ZINC001610631675 1098795911 /nfs/dbraw/zinc/79/59/11/1098795911.db2.gz HNYQPLQGQCUGDK-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001610632553 1098796000 /nfs/dbraw/zinc/79/60/00/1098796000.db2.gz YSMVVKLKVTYUGG-INIZCTEOSA-N -1 0 346.745 2.835 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001610632154 1098796107 /nfs/dbraw/zinc/79/61/07/1098796107.db2.gz FKKSRFADAXAMHZ-ZWKOTPCHSA-N -1 0 334.375 2.719 20 30 EFEDRM N#Cc1cccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001610631638 1098796170 /nfs/dbraw/zinc/79/61/70/1098796170.db2.gz GPKZVHITYKXRCU-UHFFFAOYSA-N -1 0 336.391 2.994 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001610632230 1098796226 /nfs/dbraw/zinc/79/62/26/1098796226.db2.gz HYMGIFGVWSQVNN-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001610632073 1098796238 /nfs/dbraw/zinc/79/62/38/1098796238.db2.gz CDEAKGLQFGXPPU-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1 ZINC001610632592 1098796313 /nfs/dbraw/zinc/79/63/13/1098796313.db2.gz ZCBTXEQVEAZEQO-MRXNPFEDSA-N -1 0 347.330 2.931 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610632799 1098796372 /nfs/dbraw/zinc/79/63/72/1098796372.db2.gz GRXLVOWFLGNEDY-JEZWAEDTSA-N -1 0 339.322 2.950 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(COc2ccccc2)CC1 ZINC001610634207 1098797012 /nfs/dbraw/zinc/79/70/12/1098797012.db2.gz PMARSMDDZVQQSP-UHFFFAOYSA-N -1 0 337.379 2.947 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001610633269 1098797214 /nfs/dbraw/zinc/79/72/14/1098797214.db2.gz FMDBZJBQXFHSJI-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001610637350 1098797625 /nfs/dbraw/zinc/79/76/25/1098797625.db2.gz SPBKDAPJKDTGQD-FQEVSTJZSA-N -1 0 344.374 2.734 20 30 EFEDRM NC(=NOCc1c(Br)cccc1C(=O)[O-])c1ccco1 ZINC001610637644 1098797686 /nfs/dbraw/zinc/79/76/86/1098797686.db2.gz YETDWXCMIJUVKJ-UHFFFAOYSA-N -1 0 339.145 2.577 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001610637351 1098797712 /nfs/dbraw/zinc/79/77/12/1098797712.db2.gz SPBKDAPJKDTGQD-HXUWFJFHSA-N -1 0 344.374 2.734 20 30 EFEDRM O=C([O-])c1cccn2cc(COC(=O)CC#Cc3ccccc3)nc12 ZINC001610650944 1098802089 /nfs/dbraw/zinc/80/20/89/1098802089.db2.gz KZNUYGPWMABWFQ-UHFFFAOYSA-N -1 0 334.331 2.518 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2cccc(F)c2)c(F)c1 ZINC001610652352 1098804356 /nfs/dbraw/zinc/80/43/56/1098804356.db2.gz VJDMXKCQEHOCGM-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM COc1cc(O)ccc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000011331804 1099085782 /nfs/dbraw/zinc/08/57/82/1099085782.db2.gz QOUWEGWGCJCUGX-QPJJXVBHSA-N -1 0 342.347 2.933 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(=O)o[n-]1 ZINC001627299411 1099979215 /nfs/dbraw/zinc/97/92/15/1099979215.db2.gz OPSPTDRWBIGYRM-ZDUSSCGKSA-N -1 0 342.399 2.681 20 30 EFEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000048418512 1100575831 /nfs/dbraw/zinc/57/58/31/1100575831.db2.gz NXFZTLYZXZJMEM-UHFFFAOYSA-N -1 0 326.355 2.544 20 30 EFEDRM Cc1cccnc1Oc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC001639319709 1100938631 /nfs/dbraw/zinc/93/86/31/1100938631.db2.gz TWNSZOOTZIWIBD-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM CCc1nc2ccccc2c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C ZINC001639318829 1100938812 /nfs/dbraw/zinc/93/88/12/1100938812.db2.gz IHKMWTOFXBMPGZ-UHFFFAOYSA-N -1 0 330.351 2.824 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCC1(C#N)CCCCC1 ZINC000840492641 1101095983 /nfs/dbraw/zinc/09/59/83/1101095983.db2.gz DURLXXCOUWHLON-UHFFFAOYSA-N -1 0 334.338 2.851 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001641393032 1101132232 /nfs/dbraw/zinc/13/22/32/1101132232.db2.gz JVWCQTQFDZRGOJ-UHFFFAOYSA-N -1 0 334.335 2.915 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c2c1CCC2 ZINC001227315206 1101323898 /nfs/dbraw/zinc/32/38/98/1101323898.db2.gz MXUFCFAZHZLCPV-LLVKDONJSA-N -1 0 346.832 2.667 20 30 EFEDRM Cn1c(Cl)cnc1C(C#N)=C([O-])[C@@H]1CSC(c2ccccc2)=N1 ZINC001649249534 1101681114 /nfs/dbraw/zinc/68/11/14/1101681114.db2.gz RABCWSGQCZDQRA-NEPJUHHUSA-N -1 0 344.827 2.812 20 30 EFEDRM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000796676406 1102082699 /nfs/dbraw/zinc/08/26/99/1102082699.db2.gz GNSDZJYFIUDXHZ-CVEARBPZSA-N -1 0 334.441 2.721 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796716338 1102573946 /nfs/dbraw/zinc/57/39/46/1102573946.db2.gz ZGQSXAVXWDBEOL-MRXNPFEDSA-N -1 0 336.457 2.956 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748132136 1102685431 /nfs/dbraw/zinc/68/54/31/1102685431.db2.gz QUPHORMRBYNTNZ-CMPLNLGQSA-N -1 0 336.417 2.677 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000748133749 1102690623 /nfs/dbraw/zinc/69/06/23/1102690623.db2.gz PEULJPXCNLVAOD-UHFFFAOYSA-N -1 0 329.316 2.904 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cc(Cl)ncc1C(=O)[O-] ZINC000905421377 1103165997 /nfs/dbraw/zinc/16/59/97/1103165997.db2.gz ACOZEDUXAPFRRZ-UHFFFAOYSA-N -1 0 339.808 2.538 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cn(CC)c(C)n2)c1C#N ZINC000906072107 1103853282 /nfs/dbraw/zinc/85/32/82/1103853282.db2.gz HQLQEHHDCRNAGA-UHFFFAOYSA-N -1 0 338.458 2.816 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)cn1 ZINC000906071320 1103881335 /nfs/dbraw/zinc/88/13/35/1103881335.db2.gz FLIRXUIZMSTQLZ-UHFFFAOYSA-N -1 0 336.442 2.516 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2c(C)noc2C)c1C#N ZINC000906072443 1103881632 /nfs/dbraw/zinc/88/16/32/1103881632.db2.gz JJKZDSMCTHTWCI-UHFFFAOYSA-N -1 0 325.415 2.896 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)c1 ZINC000906073255 1103903668 /nfs/dbraw/zinc/90/36/68/1103903668.db2.gz PRFRSYSAKYPEPU-UHFFFAOYSA-N -1 0 349.437 2.703 20 30 EFEDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1sc(C)c(CC)c1C#N ZINC000906073557 1103904653 /nfs/dbraw/zinc/90/46/53/1103904653.db2.gz PGXCUHZIGSVBLC-UHFFFAOYSA-N -1 0 338.458 2.587 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1cncc(F)c1)CCCC2 ZINC000906074654 1103905269 /nfs/dbraw/zinc/90/52/69/1103905269.db2.gz VHIWHGQTHLDAOB-UHFFFAOYSA-N -1 0 337.401 2.833 20 30 EFEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000906074454 1103905447 /nfs/dbraw/zinc/90/54/47/1103905447.db2.gz VVKNAODWIRSJPK-UHFFFAOYSA-N -1 0 339.467 2.983 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@@H](OC)C2 ZINC000906075232 1103907033 /nfs/dbraw/zinc/90/70/33/1103907033.db2.gz KRDGXHRYZBRHPD-LLVKDONJSA-N -1 0 340.470 2.831 20 30 EFEDRM CCOc1cc(C=NNc2nc(C)cc(=O)[nH]2)ccc1OC(=O)CC ZINC000841604140 1104165055 /nfs/dbraw/zinc/16/50/55/1104165055.db2.gz MWIPOFNCRFBELI-UHFFFAOYSA-N -1 0 344.371 2.651 20 30 EFEDRM C=CC[C@@H](CCC)Oc1nc[n-]c(=O)c1I ZINC001228927345 1104202725 /nfs/dbraw/zinc/20/27/25/1104202725.db2.gz FQBYCGMEQKVBCH-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM COc1cc(CN=Nc2cc(C)ccn2)ccc1OCCC(=O)[O-] ZINC000783855450 1106015765 /nfs/dbraw/zinc/01/57/65/1106015765.db2.gz MKQBJILTOGSEKW-UHFFFAOYSA-N -1 0 329.356 2.698 20 30 EFEDRM C=C1CCC(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)CC1 ZINC000897757144 1106073913 /nfs/dbraw/zinc/07/39/13/1106073913.db2.gz WTQBLMBTKJOMNT-CHWSQXEVSA-N -1 0 331.416 2.613 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CSc1ccc(Br)cc1 ZINC000092463248 1106848769 /nfs/dbraw/zinc/84/87/69/1106848769.db2.gz QJNVOHNUFLNNMU-UHFFFAOYSA-N -1 0 344.230 2.640 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)cc1O ZINC001272260836 1107433860 /nfs/dbraw/zinc/43/38/60/1107433860.db2.gz AXXURBYIMSIBDE-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM Cc1c(C(=O)N(O)Cc2ccc(F)cc2)nnn1CC1CCCC1 ZINC000904172938 1107689120 /nfs/dbraw/zinc/68/91/20/1107689120.db2.gz DROFZHYPHDWTOK-UHFFFAOYSA-N -1 0 332.379 2.947 20 30 EFEDRM CN1CCCC[C@@H](C(=O)N(O)Cc2cccc3ccccc32)C1=O ZINC000904172678 1107689268 /nfs/dbraw/zinc/68/92/68/1107689268.db2.gz IXGFSFXRADNYFO-QGZVFWFLSA-N -1 0 326.396 2.816 20 30 EFEDRM CN1CCCC[C@H](C(=O)N(O)Cc2cccc3ccccc32)C1=O ZINC000904172677 1107689288 /nfs/dbraw/zinc/68/92/88/1107689288.db2.gz IXGFSFXRADNYFO-KRWDZBQOSA-N -1 0 326.396 2.816 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)C1=O ZINC001272218827 1107946178 /nfs/dbraw/zinc/94/61/78/1107946178.db2.gz IFSWAUJHHPDTBC-SFHVURJKSA-N -1 0 348.830 2.686 20 30 EFEDRM C=CCN1CC2(CCC1=O)CCN(C(=O)c1c([O-])cccc1F)CC2 ZINC001272389063 1108161416 /nfs/dbraw/zinc/16/14/16/1108161416.db2.gz RBWWNSAPXVRAQV-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM Cc1ccc(N2CCC(C(=O)Nc3cc(C#N)ccc3[O-])CC2)nc1 ZINC000176395727 1108445578 /nfs/dbraw/zinc/44/55/78/1108445578.db2.gz QVHWKSZIBGTRRQ-UHFFFAOYSA-N -1 0 336.395 2.822 20 30 EFEDRM CC1CCC(N2C[C@@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)CC1 ZINC000176404785 1108456948 /nfs/dbraw/zinc/45/69/48/1108456948.db2.gz IKSBKXWQKHXRDZ-BLZCZZARSA-N -1 0 341.411 2.630 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2ccc(Cl)cc2n1 ZINC000176458372 1108602622 /nfs/dbraw/zinc/60/26/22/1108602622.db2.gz QHACBXOJBIMHGF-CYBMUJFWSA-N -1 0 327.771 2.833 20 30 EFEDRM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(F)c1[O-] ZINC001272235376 1109206796 /nfs/dbraw/zinc/20/67/96/1109206796.db2.gz YTXULEGSUCQFHF-IBGZPJMESA-N -1 0 346.402 2.705 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000042232264 1109343638 /nfs/dbraw/zinc/34/36/38/1109343638.db2.gz YTZTZQPYSDUYBG-UHFFFAOYSA-N -1 0 344.392 2.507 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccccc2)cnn1-c1ccccc1 ZINC000042232405 1109344417 /nfs/dbraw/zinc/34/44/17/1109344417.db2.gz GFRWVQSMLHJSBK-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM CCOc1ccc(C[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842323227 1109446842 /nfs/dbraw/zinc/44/68/42/1109446842.db2.gz GYOIGRSGOBNXQN-CZUORRHYSA-N -1 0 339.395 2.589 20 30 EFEDRM CCOc1ccc(C[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842323228 1109446970 /nfs/dbraw/zinc/44/69/70/1109446970.db2.gz GYOIGRSGOBNXQN-XJKSGUPXSA-N -1 0 339.395 2.589 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCSc2ccccc21 ZINC000842322708 1109447504 /nfs/dbraw/zinc/44/75/04/1109447504.db2.gz CEWUUAPHVVCQPJ-STQMWFEESA-N -1 0 325.393 2.591 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000842323667 1109447552 /nfs/dbraw/zinc/44/75/52/1109447552.db2.gz OWDBEVXNCNIHFO-ZIAGYGMSSA-N -1 0 337.379 2.657 20 30 EFEDRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000042324589 1109643273 /nfs/dbraw/zinc/64/32/73/1109643273.db2.gz AGHPMOHBXGJJKU-UHFFFAOYSA-N -1 0 349.456 2.877 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)Cc1ccccc1Cl ZINC000042324784 1109643993 /nfs/dbraw/zinc/64/39/93/1109643993.db2.gz KMELGCRGRYWLDX-UHFFFAOYSA-N -1 0 341.820 2.578 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176523717 1111092722 /nfs/dbraw/zinc/09/27/22/1111092722.db2.gz MENZRPULFAGAKF-CQSZACIVSA-N -1 0 342.351 2.547 20 30 EFEDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000914535487 1111244148 /nfs/dbraw/zinc/24/41/48/1111244148.db2.gz OHWBYUGWRLKFOJ-UHFFFAOYSA-N -1 0 329.747 2.603 20 30 EFEDRM Cc1nnc(NN=C2CCCc3[nH]c4ccc(F)cc4c32)[n-]c1=O ZINC000914559411 1111257723 /nfs/dbraw/zinc/25/77/23/1111257723.db2.gz MUHQETUDVLAXHZ-UHFFFAOYSA-N -1 0 326.335 2.659 20 30 EFEDRM N#CCC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000153263857 1111291902 /nfs/dbraw/zinc/29/19/02/1111291902.db2.gz LBVLCUHSFFSJHM-HNNXBMFYSA-N -1 0 332.363 2.698 20 30 EFEDRM C=CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000914629775 1111299287 /nfs/dbraw/zinc/29/92/87/1111299287.db2.gz RBSTYVALCPSENQ-UHFFFAOYSA-N -1 0 337.422 2.821 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OCCC(C)C ZINC000130570985 1111452367 /nfs/dbraw/zinc/45/23/67/1111452367.db2.gz HQDQFDVHBCUCAL-OAHLLOKOSA-N -1 0 346.427 2.967 20 30 EFEDRM Cc1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000901195141 1111965367 /nfs/dbraw/zinc/96/53/67/1111965367.db2.gz TXVPTULPIOXZBK-ZDUSSCGKSA-N -1 0 346.412 2.697 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2Cl)on1 ZINC000916871298 1111993494 /nfs/dbraw/zinc/99/34/94/1111993494.db2.gz KQSCDNKRJDTDHY-GFCCVEGCSA-N -1 0 343.770 2.940 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000916872268 1111993530 /nfs/dbraw/zinc/99/35/30/1111993530.db2.gz HOPFQYWHMVMYFW-QGZVFWFLSA-N -1 0 346.427 2.728 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C(C)C)c1 ZINC000916877138 1111993928 /nfs/dbraw/zinc/99/39/28/1111993928.db2.gz ONAVFFSYLAWSNU-OAHLLOKOSA-N -1 0 341.415 2.641 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000916919931 1111997493 /nfs/dbraw/zinc/99/74/93/1111997493.db2.gz DDKNSVYXORLVJP-SFHVURJKSA-N -1 0 334.375 2.890 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1COC ZINC000916920512 1111997537 /nfs/dbraw/zinc/99/75/37/1111997537.db2.gz LKTKJGCWVWWHBN-SNVBAGLBSA-N -1 0 346.383 2.811 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)c(OC)c1 ZINC000916921555 1111998080 /nfs/dbraw/zinc/99/80/80/1111998080.db2.gz VAGITZJCLPARSN-OAHLLOKOSA-N -1 0 342.395 2.641 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000916922373 1111998305 /nfs/dbraw/zinc/99/83/05/1111998305.db2.gz XCBHERPTSBJSNK-YOEHRIQHSA-N -1 0 349.390 2.846 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)o2)cc1 ZINC000916927292 1111999336 /nfs/dbraw/zinc/99/93/36/1111999336.db2.gz PWHGWTNBXLNIDE-HNNXBMFYSA-N -1 0 336.347 2.750 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)ccc1N ZINC001212256214 1112367072 /nfs/dbraw/zinc/36/70/72/1112367072.db2.gz OPRICOLQDNQYQU-UHFFFAOYSA-N -1 0 327.409 2.933 20 30 EFEDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C2(C#N)CC2)cc1 ZINC001212258109 1112376876 /nfs/dbraw/zinc/37/68/76/1112376876.db2.gz PRDCOMWMYGUCKT-UHFFFAOYSA-N -1 0 343.408 2.633 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069617947 1117951889 /nfs/dbraw/zinc/95/18/89/1117951889.db2.gz MAFNDALKMREELG-MRVPVSSYSA-N -1 0 336.207 2.519 20 30 EFEDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622412 1117956239 /nfs/dbraw/zinc/95/62/39/1117956239.db2.gz ZCBXHFKDCZEGLZ-UHFFFAOYSA-N -1 0 337.319 2.777 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000131049564 1118830811 /nfs/dbraw/zinc/83/08/11/1118830811.db2.gz OOZNODKLOSXFQA-CYBMUJFWSA-N -1 0 327.409 2.581 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(Cc2ccc(C)cc2)n1 ZINC000131216664 1120614051 /nfs/dbraw/zinc/61/40/51/1120614051.db2.gz DFEXKXCQFHHFDN-AWEZNQCLSA-N -1 0 339.420 2.667 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc(OC)c1 ZINC000169177380 529588606 /nfs/dbraw/zinc/58/86/06/529588606.db2.gz LRYREQVVHFKLGC-LLVKDONJSA-N -1 0 333.207 2.502 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000352181167 535006803 /nfs/dbraw/zinc/00/68/03/535006803.db2.gz ZPJHXFKZSLVHTO-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM C[C@H](CSCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000178761614 232456694 /nfs/dbraw/zinc/45/66/94/232456694.db2.gz YFDIYENBQHLQAA-LLVKDONJSA-N -1 0 325.397 2.661 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000263212017 291109431 /nfs/dbraw/zinc/10/94/31/291109431.db2.gz NQGQFMOSBWBICL-JQWIXIFHSA-N -1 0 340.339 2.562 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1C ZINC000414437931 535379692 /nfs/dbraw/zinc/37/96/92/535379692.db2.gz CHBMRMPNLZEPEI-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000262775234 240367085 /nfs/dbraw/zinc/36/70/85/240367085.db2.gz AQAWCBMTIGVUFH-ZDUSSCGKSA-N -1 0 325.792 2.817 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cncc(Br)c2)c1 ZINC000158210721 239005774 /nfs/dbraw/zinc/00/57/74/239005774.db2.gz ZOAWSHDFZQKTIG-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000174025781 239217376 /nfs/dbraw/zinc/21/73/76/239217376.db2.gz SPXMLTQSMYATRA-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)o1 ZINC000175097401 239253784 /nfs/dbraw/zinc/25/37/84/239253784.db2.gz QVSRBCCZVDCOFK-ZDUSSCGKSA-N -1 0 348.366 2.897 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000023371051 212371855 /nfs/dbraw/zinc/37/18/55/212371855.db2.gz CVMJOZUOHOFLTQ-UHFFFAOYSA-N -1 0 329.377 2.784 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000193029577 240079829 /nfs/dbraw/zinc/07/98/29/240079829.db2.gz ULBCNEBUIQAQEM-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C=C(C)COCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194339197 240148978 /nfs/dbraw/zinc/14/89/78/240148978.db2.gz RGINTZUMXYGEFS-UHFFFAOYSA-N -1 0 335.791 2.554 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000194672758 240170837 /nfs/dbraw/zinc/17/08/37/240170837.db2.gz BLUMRDHVPJRXTL-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194717666 240175076 /nfs/dbraw/zinc/17/50/76/240175076.db2.gz MUJNNLZEFPDSML-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM C=CCCC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000237961698 240249083 /nfs/dbraw/zinc/24/90/83/240249083.db2.gz UAZCQLVSQNZRRF-UHFFFAOYSA-N -1 0 345.136 2.894 20 30 EFEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195439163 240226024 /nfs/dbraw/zinc/22/60/24/240226024.db2.gz XXHSTBUNOAFFHZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237409660 240243837 /nfs/dbraw/zinc/24/38/37/240243837.db2.gz JPJCEEJWPHIEBT-GFCCVEGCSA-N -1 0 342.395 2.732 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000262860504 240372335 /nfs/dbraw/zinc/37/23/35/240372335.db2.gz ARKMBWAZCGFSOB-CZUORRHYSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC)C(=O)[O-] ZINC000262889993 240372898 /nfs/dbraw/zinc/37/28/98/240372898.db2.gz LJZOPWQWVOEYEM-LBPRGKRZSA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000262886003 240372955 /nfs/dbraw/zinc/37/29/55/240372955.db2.gz LARZURKKTMPWLR-LBPRGKRZSA-N -1 0 331.290 2.777 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000262878333 240373056 /nfs/dbraw/zinc/37/30/56/240373056.db2.gz KHZHQDULSCTERU-BXKDBHETSA-N -1 0 329.755 2.782 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000262944877 240374266 /nfs/dbraw/zinc/37/42/66/240374266.db2.gz IAPFRQCRGBWGRP-ZDUSSCGKSA-N -1 0 343.832 2.594 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000262944876 240374413 /nfs/dbraw/zinc/37/44/13/240374413.db2.gz IAPFRQCRGBWGRP-CYBMUJFWSA-N -1 0 343.832 2.594 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262966618 240374467 /nfs/dbraw/zinc/37/44/67/240374467.db2.gz JOZWMRPYOWEGEP-AWEZNQCLSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000262964532 240375091 /nfs/dbraw/zinc/37/50/91/240375091.db2.gz SAQQGSGWMLCHJI-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262979990 240375158 /nfs/dbraw/zinc/37/51/58/240375158.db2.gz UFIFTDNOZXZPBS-GFCCVEGCSA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000262916257 240375425 /nfs/dbraw/zinc/37/54/25/240375425.db2.gz NPUGANQZWXUTIG-NSHDSACASA-N -1 0 334.397 2.790 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000262916347 240375476 /nfs/dbraw/zinc/37/54/76/240375476.db2.gz NQYJREDJCCAFSC-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000262902294 240375664 /nfs/dbraw/zinc/37/56/64/240375664.db2.gz DUDDUKMVLFEMFL-JCYILVPMSA-N -1 0 331.412 2.732 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000262941650 240375691 /nfs/dbraw/zinc/37/56/91/240375691.db2.gz HTUCMKKLAZRRAU-INIZCTEOSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC000263011597 240376235 /nfs/dbraw/zinc/37/62/35/240376235.db2.gz XGWWOWSKQISMDX-LLVKDONJSA-N -1 0 346.246 2.979 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000263062980 240377966 /nfs/dbraw/zinc/37/79/66/240377966.db2.gz QSXVBCJSMRQPFV-GOEBONIOSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000263152984 240381097 /nfs/dbraw/zinc/38/10/97/240381097.db2.gz XNSQMZNMODFKNF-GFCCVEGCSA-N -1 0 343.832 2.838 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263373539 240382417 /nfs/dbraw/zinc/38/24/17/240382417.db2.gz WBTPGKAFMIENBX-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM N#C[C@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000263436867 240382690 /nfs/dbraw/zinc/38/26/90/240382690.db2.gz CPUVFYYTCYRMLD-IBGZPJMESA-N -1 0 335.407 2.595 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000263338131 240382803 /nfs/dbraw/zinc/38/28/03/240382803.db2.gz DTEOJDVLMZEPMD-ULQDDVLXSA-N -1 0 343.427 2.844 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263286384 240383592 /nfs/dbraw/zinc/38/35/92/240383592.db2.gz YBQJDAGRBWTVJN-TZMCWYRMSA-N -1 0 333.384 2.585 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000263503704 240384401 /nfs/dbraw/zinc/38/44/01/240384401.db2.gz UTQPXTAICXBWIT-FQEVSTJZSA-N -1 0 349.390 2.810 20 30 EFEDRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)C2(C#N)CCCC2)c1 ZINC000263501201 240384995 /nfs/dbraw/zinc/38/49/95/240384995.db2.gz YZZOAKVJXWZAHA-UHFFFAOYSA-N -1 0 338.367 2.901 20 30 EFEDRM C=CCN(C)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000263553479 240385731 /nfs/dbraw/zinc/38/57/31/240385731.db2.gz XREYPWWICQXOGW-UHFFFAOYSA-N -1 0 341.411 2.764 20 30 EFEDRM O=C([O-])c1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)ccc1O ZINC000275173896 240745071 /nfs/dbraw/zinc/74/50/71/240745071.db2.gz DTZXTNITEVIUKD-MDWZMJQESA-N -1 0 332.381 2.593 20 30 EFEDRM CCC[C@@H](C)C(=O)NCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292314608 241029414 /nfs/dbraw/zinc/02/94/14/241029414.db2.gz LTKBJRNTDCGQPC-IYPWXLATSA-N -1 0 341.795 2.925 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000299279046 241167582 /nfs/dbraw/zinc/16/75/82/241167582.db2.gz UFQCIHDRCCURPP-TUPIDYKKSA-N -1 0 345.395 2.739 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000323540547 241204001 /nfs/dbraw/zinc/20/40/01/241204001.db2.gz OJRMJXJDBCFASD-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cccc(Cl)c2[O-])CC(=O)N1C ZINC000328925408 241267454 /nfs/dbraw/zinc/26/74/54/241267454.db2.gz DUUOCOPLSXUYRO-XPTSAGLGSA-N -1 0 348.790 2.587 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)c2ccccc2)ccc1C(=O)[O-] ZINC000326607678 241206027 /nfs/dbraw/zinc/20/60/27/241206027.db2.gz INOBVCKWGPSYKR-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1nn(C)c2sc(C([O-])=Nc3ccnn3C[C@H]3CCOC3)cc12 ZINC000328774137 241239931 /nfs/dbraw/zinc/23/99/31/241239931.db2.gz RYQMTILDGIAAQQ-LLVKDONJSA-N -1 0 345.428 2.813 20 30 EFEDRM Cc1nn(C)c2sc(C([O-])=Nc3ccnn3C[C@@H]3CCOC3)cc12 ZINC000328774139 241239978 /nfs/dbraw/zinc/23/99/78/241239978.db2.gz RYQMTILDGIAAQQ-NSHDSACASA-N -1 0 345.428 2.813 20 30 EFEDRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328831902 241251116 /nfs/dbraw/zinc/25/11/16/241251116.db2.gz KLUONHLBDNJHNZ-GHMZBOCLSA-N -1 0 336.442 2.582 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)nc(C)n1 ZINC000328853339 241254552 /nfs/dbraw/zinc/25/45/52/241254552.db2.gz WBGKTDMOYMUXBO-AAEUAGOBSA-N -1 0 328.397 2.892 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)nc(C)n1 ZINC000328853349 241255528 /nfs/dbraw/zinc/25/55/28/241255528.db2.gz WBGKTDMOYMUXBO-YPMHNXCESA-N -1 0 328.397 2.892 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCO[C@@H]3CCC[C@@H]32)s[n-]1 ZINC000328988725 241282119 /nfs/dbraw/zinc/28/21/19/241282119.db2.gz UVEKZGSRZXDHKB-VHSXEESVSA-N -1 0 328.463 2.839 20 30 EFEDRM [O-]C(=Nc1nc2ccsc2s1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329448104 241372416 /nfs/dbraw/zinc/37/24/16/241372416.db2.gz MIBMUTWLGNZLSN-GHMZBOCLSA-N -1 0 339.442 2.783 20 30 EFEDRM O=C(CC1(C(=O)[O-])CCCCCC1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329261745 241335812 /nfs/dbraw/zinc/33/58/12/241335812.db2.gz ZEOJLHGTVANUEY-ZDUSSCGKSA-N -1 0 345.461 2.583 20 30 EFEDRM O=C(CC1(C(=O)[O-])CCCCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329261744 241336745 /nfs/dbraw/zinc/33/67/45/241336745.db2.gz ZEOJLHGTVANUEY-CYBMUJFWSA-N -1 0 345.461 2.583 20 30 EFEDRM Cc1csc2ncc(C([O-])=Nc3cnc(C)nc3C3CC3)c(=O)n12 ZINC000329699588 241422095 /nfs/dbraw/zinc/42/20/95/241422095.db2.gz ZEVPNHQSBXMDQR-UHFFFAOYSA-N -1 0 341.396 2.677 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cncc(OC)c2)c1 ZINC000337171798 241680209 /nfs/dbraw/zinc/68/02/09/241680209.db2.gz GBNLQKMNFWTAHK-UHFFFAOYSA-N -1 0 334.397 2.846 20 30 EFEDRM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000337802358 241708991 /nfs/dbraw/zinc/70/89/91/241708991.db2.gz IJTWYTGJWCNFTP-SCSAIBSYSA-N -1 0 339.232 2.862 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)NCC(C)(C)C#N)s2)cc1 ZINC000349374173 241868068 /nfs/dbraw/zinc/86/80/68/241868068.db2.gz QEEJRMQUGPOESP-UHFFFAOYSA-N -1 0 329.429 2.531 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2nc(SC)[n-]s2)cc1 ZINC000349901978 241876108 /nfs/dbraw/zinc/87/61/08/241876108.db2.gz FYUUQDCKZJOMSK-UHFFFAOYSA-N -1 0 336.442 2.568 20 30 EFEDRM COc1cc(Br)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000354481788 242002066 /nfs/dbraw/zinc/00/20/66/242002066.db2.gz YNPFXASXRBNEKQ-LLVKDONJSA-N -1 0 332.157 2.738 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccncn1 ZINC000354464582 242000740 /nfs/dbraw/zinc/00/07/40/242000740.db2.gz IPSBYXMABLQXPL-ZDUSSCGKSA-N -1 0 347.353 2.780 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2ccncn2)sc1Br ZINC000354476251 242001319 /nfs/dbraw/zinc/00/13/19/242001319.db2.gz ZAPKBWPFYIFWPZ-SSDOTTSWSA-N -1 0 338.186 2.799 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccncn1 ZINC000354461974 242001752 /nfs/dbraw/zinc/00/17/52/242001752.db2.gz GVTYSNHWBBRISI-HNNXBMFYSA-N -1 0 329.363 2.641 20 30 EFEDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355890753 242052752 /nfs/dbraw/zinc/05/27/52/242052752.db2.gz SUCBWFZSLJXSSI-UHFFFAOYSA-N -1 0 330.413 2.542 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356001963 242058760 /nfs/dbraw/zinc/05/87/60/242058760.db2.gz BJXOCAANXMVEFS-UHFFFAOYSA-N -1 0 330.388 2.879 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356202087 242062491 /nfs/dbraw/zinc/06/24/91/242062491.db2.gz SJESUDCSAYZUBE-UHFFFAOYSA-N -1 0 342.311 2.630 20 30 EFEDRM N#C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000356229844 242064449 /nfs/dbraw/zinc/06/44/49/242064449.db2.gz UVZIBDNWZTVSFL-AWEZNQCLSA-N -1 0 331.715 2.948 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(CCC(C)C)nn3)nc21 ZINC000355242124 242023723 /nfs/dbraw/zinc/02/37/23/242023723.db2.gz WNNCCZOXHIUSEE-CYBMUJFWSA-N -1 0 336.399 2.999 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)c1 ZINC000357553354 242100711 /nfs/dbraw/zinc/10/07/11/242100711.db2.gz SJGYWICXHBNWJO-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)nc(C)n1 ZINC000357801420 242106640 /nfs/dbraw/zinc/10/66/40/242106640.db2.gz VDSGVQKUNZPSSZ-MRXNPFEDSA-N -1 0 331.379 2.828 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)nc(C)n1 ZINC000357801419 242107298 /nfs/dbraw/zinc/10/72/98/242107298.db2.gz VDSGVQKUNZPSSZ-INIZCTEOSA-N -1 0 331.379 2.828 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000358331792 242116798 /nfs/dbraw/zinc/11/67/98/242116798.db2.gz LNUZRUQPSYCBTA-UHFFFAOYSA-N -1 0 338.367 2.881 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000359114704 242144475 /nfs/dbraw/zinc/14/44/75/242144475.db2.gz KITFPGTYDVEHFJ-UHFFFAOYSA-N -1 0 326.404 2.738 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCCN(CC(C)(C)C)C2=O)s1 ZINC000359644478 242159105 /nfs/dbraw/zinc/15/91/05/242159105.db2.gz YPJSMDUDQDZUQW-NSHDSACASA-N -1 0 340.518 2.687 20 30 EFEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cn12 ZINC000362129935 242242401 /nfs/dbraw/zinc/24/24/01/242242401.db2.gz OXSQOUCKOGJTHM-LBPRGKRZSA-N -1 0 345.284 2.942 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2n1 ZINC000362119903 242242845 /nfs/dbraw/zinc/24/28/45/242242845.db2.gz UAFAMKUPZLEDOG-LLVKDONJSA-N -1 0 345.284 2.942 20 30 EFEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)n[nH]2)cc1 ZINC000361670197 242230889 /nfs/dbraw/zinc/23/08/89/242230889.db2.gz HNNBIWUHRPUVHI-OAHLLOKOSA-N -1 0 347.378 2.982 20 30 EFEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1cc(C(F)(F)F)ccn1 ZINC000362115477 242243065 /nfs/dbraw/zinc/24/30/65/242243065.db2.gz CUZACWDHPGDSQP-JTQLQIEISA-N -1 0 343.268 2.929 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)o1 ZINC000362173946 242245361 /nfs/dbraw/zinc/24/53/61/242245361.db2.gz ZQWJPUMWGKTFCX-VIFPVBQESA-N -1 0 338.241 2.970 20 30 EFEDRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000362348753 242252317 /nfs/dbraw/zinc/25/23/17/242252317.db2.gz MXJWRZNYDKOGRH-UHFFFAOYSA-N -1 0 338.820 2.675 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000237680267 242751155 /nfs/dbraw/zinc/75/11/55/242751155.db2.gz VKFJNBVXBBKQNQ-ZDUSSCGKSA-N -1 0 330.384 2.619 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1 ZINC000414442168 244164777 /nfs/dbraw/zinc/16/47/77/244164777.db2.gz LDDHDKSKNZDUCH-UHFFFAOYSA-N -1 0 335.429 2.909 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262985431 245284612 /nfs/dbraw/zinc/28/46/12/245284612.db2.gz JUBJLMTZORYGBC-HNNXBMFYSA-N -1 0 341.791 2.573 20 30 EFEDRM COC(=O)c1csc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000418900579 245310256 /nfs/dbraw/zinc/31/02/56/245310256.db2.gz MXXYZGMNESABRK-UHFFFAOYSA-N -1 0 348.428 2.634 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1OC ZINC000263178375 245351360 /nfs/dbraw/zinc/35/13/60/245351360.db2.gz ZIZAODRJHRQSHZ-GXTWGEPZSA-N -1 0 333.384 2.585 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C ZINC000078389022 217045596 /nfs/dbraw/zinc/04/55/96/217045596.db2.gz YXPXXXXQPULKJU-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000421514467 246001860 /nfs/dbraw/zinc/00/18/60/246001860.db2.gz VZIOGTUADNPPBU-UHFFFAOYSA-N -1 0 341.371 2.709 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000425262641 247019306 /nfs/dbraw/zinc/01/93/06/247019306.db2.gz YUTABNRMTNLZDS-OBJOEFQTSA-N -1 0 335.425 2.573 20 30 EFEDRM Cc1[n-]sc(=NC(=O)Nc2ccn(CCC(F)(F)F)n2)c1C#N ZINC000425673678 247164164 /nfs/dbraw/zinc/16/41/64/247164164.db2.gz NXCKGBADPNNECZ-UHFFFAOYSA-N -1 0 344.322 2.538 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427205415 247328986 /nfs/dbraw/zinc/32/89/86/247328986.db2.gz SOBMVPGUUPPYIU-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1C#N ZINC000427286903 247334466 /nfs/dbraw/zinc/33/44/66/247334466.db2.gz COFZOJGCJPEAHH-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427294931 247334479 /nfs/dbraw/zinc/33/44/79/247334479.db2.gz HNSHUJTXBONXSF-SNVBAGLBSA-N -1 0 334.376 2.802 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427117696 247317965 /nfs/dbraw/zinc/31/79/65/247317965.db2.gz ONCGSCKIALJBSH-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc23)c1 ZINC000427653741 247378860 /nfs/dbraw/zinc/37/88/60/247378860.db2.gz JVTNXBIVLCVMHJ-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000013179772 211533835 /nfs/dbraw/zinc/53/38/35/211533835.db2.gz NDKOCYSXVJBVQQ-QGZVFWFLSA-N -1 0 338.363 2.578 20 30 EFEDRM CC[C@@H](C)n1nc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1C ZINC000330756580 269674613 /nfs/dbraw/zinc/67/46/13/269674613.db2.gz XNVYWKUSYBWPOC-LLVKDONJSA-N -1 0 328.420 2.660 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000431198694 247880085 /nfs/dbraw/zinc/88/00/85/247880085.db2.gz UYDXMXYKMBZQSC-UHFFFAOYSA-N -1 0 344.392 2.685 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000431713824 247931753 /nfs/dbraw/zinc/93/17/53/247931753.db2.gz XBWATRBMKCJUPN-GHMZBOCLSA-N -1 0 334.301 2.773 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(C)nn(CC)c2C)c1 ZINC000266059829 248069759 /nfs/dbraw/zinc/06/97/59/248069759.db2.gz IGWBNDKREPDREI-UHFFFAOYSA-N -1 0 335.429 2.885 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cncc(CC)c2)n1 ZINC000434564505 248167025 /nfs/dbraw/zinc/16/70/25/248167025.db2.gz GGMGXCKKZOCUHI-LBPRGKRZSA-N -1 0 329.381 2.767 20 30 EFEDRM CC(=Cc1cnn(Cc2ccc(F)cc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336764 248227828 /nfs/dbraw/zinc/22/78/28/248227828.db2.gz QSUMZEJYUYNMJY-GHXNOFRVSA-N -1 0 349.369 2.894 20 30 EFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435430761 248240170 /nfs/dbraw/zinc/24/01/70/248240170.db2.gz FLYBZWDATNRKRO-XCBNKYQSSA-N -1 0 326.365 2.875 20 30 EFEDRM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435493524 248245636 /nfs/dbraw/zinc/24/56/36/248245636.db2.gz IVRLRWBPSFBPNY-UHFFFAOYSA-N -1 0 349.437 2.560 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)s1 ZINC000435502073 248245769 /nfs/dbraw/zinc/24/57/69/248245769.db2.gz SMNGDSNOELSNFW-UHFFFAOYSA-N -1 0 347.421 2.547 20 30 EFEDRM C=C(C)COCCNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436865787 249618012 /nfs/dbraw/zinc/61/80/12/249618012.db2.gz VKFQMRQKBOMEMG-UHFFFAOYSA-N -1 0 332.169 2.616 20 30 EFEDRM N#CCCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2ccccc21 ZINC000444720453 250334742 /nfs/dbraw/zinc/33/47/42/250334742.db2.gz PDDISHOBGIDKFY-UHFFFAOYSA-N -1 0 343.350 2.664 20 30 EFEDRM O=C([O-])c1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccn1 ZINC000237977677 304222536 /nfs/dbraw/zinc/22/25/36/304222536.db2.gz UOSUBGXPDYAWKO-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)nc1 ZINC000095435515 218377582 /nfs/dbraw/zinc/37/75/82/218377582.db2.gz INGSXDHNCHFTPD-UHFFFAOYSA-N -1 0 326.324 2.503 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)nc2ccc(OC)cc21)C(=O)[O-] ZINC000448991054 250869435 /nfs/dbraw/zinc/86/94/35/250869435.db2.gz IRNWWUUJWHHMKK-INIZCTEOSA-N -1 0 328.368 2.701 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)[C@@H](C)C3)cc2[n-]c1=S ZINC000267631074 251206759 /nfs/dbraw/zinc/20/67/59/251206759.db2.gz JOSRVZUYVRPSQL-RYUDHWBXSA-N -1 0 343.452 2.599 20 30 EFEDRM O=C([O-])c1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000362537188 304257146 /nfs/dbraw/zinc/25/71/46/304257146.db2.gz GCRSRZAIKNBQRA-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000455878591 255624485 /nfs/dbraw/zinc/62/44/85/255624485.db2.gz OODXHNFGSQIQSV-INIZCTEOSA-N -1 0 343.379 2.651 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)c([O-])c(F)c3)CCO2)c1 ZINC000328587683 258046332 /nfs/dbraw/zinc/04/63/32/258046332.db2.gz FDSFLUDAMVVGSK-INIZCTEOSA-N -1 0 344.317 2.756 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)c([O-])c(F)c3)CCO2)c1 ZINC000328587684 258046634 /nfs/dbraw/zinc/04/66/34/258046634.db2.gz FDSFLUDAMVVGSK-MRXNPFEDSA-N -1 0 344.317 2.756 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000171285319 533616046 /nfs/dbraw/zinc/61/60/46/533616046.db2.gz RCRVYALZYNGVBI-SECBINFHSA-N -1 0 338.289 2.629 20 30 EFEDRM CC(C)C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000263438298 141393980 /nfs/dbraw/zinc/39/39/80/141393980.db2.gz WBUKXEMXHZUUIZ-AWEZNQCLSA-N -1 0 328.328 2.926 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)c(F)c1 ZINC000263492520 141399280 /nfs/dbraw/zinc/39/92/80/141399280.db2.gz RRLRXZSOKUJUJN-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)o1 ZINC000344551578 142039164 /nfs/dbraw/zinc/03/91/64/142039164.db2.gz TYCGDENXNGLMFJ-LBPRGKRZSA-N -1 0 348.277 2.872 20 30 EFEDRM C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(C#N)cc1 ZINC000344859034 142088286 /nfs/dbraw/zinc/08/82/86/142088286.db2.gz HZHFOEATYGGUFF-ZDUSSCGKSA-N -1 0 332.363 2.941 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)c(F)c1 ZINC000347886043 142287117 /nfs/dbraw/zinc/28/71/17/142287117.db2.gz FQIYLDPZZXVWPW-MRXNPFEDSA-N -1 0 336.326 2.791 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000339412475 144764343 /nfs/dbraw/zinc/76/43/43/144764343.db2.gz OSQQGBMJAAQSCF-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(/C=C/c3ccco3)s2)o1 ZINC000342468163 145133064 /nfs/dbraw/zinc/13/30/64/145133064.db2.gz YKTZHHIXELLLRJ-HWKANZROSA-N -1 0 348.365 2.567 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)CC2)c1 ZINC000342476060 145134784 /nfs/dbraw/zinc/13/47/84/145134784.db2.gz OSZFUDRNRQVKAU-UHFFFAOYSA-N -1 0 346.346 2.572 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC000343547701 145235256 /nfs/dbraw/zinc/23/52/56/145235256.db2.gz ZQMNCJQMIHTLOX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)s1 ZINC000343874852 145314085 /nfs/dbraw/zinc/31/40/85/145314085.db2.gz OTSWJOOKKDMFRO-ZZXKWVIFSA-N -1 0 328.378 2.909 20 30 EFEDRM Cc1n[n-]c(=NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1C ZINC000345383117 145527326 /nfs/dbraw/zinc/52/73/26/145527326.db2.gz UHOMBUXSZLMMFR-UHFFFAOYSA-N -1 0 347.378 2.770 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC)nc1 ZINC000350731263 146084677 /nfs/dbraw/zinc/08/46/77/146084677.db2.gz ZGSDHWFMXUNVCQ-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)oc1C ZINC000351511020 146134952 /nfs/dbraw/zinc/13/49/52/146134952.db2.gz OJJILGFUGNXICX-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000351654479 146169643 /nfs/dbraw/zinc/16/96/43/146169643.db2.gz BWSBYHIKAPBBOO-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C#N ZINC000351679864 146176149 /nfs/dbraw/zinc/17/61/49/146176149.db2.gz ZADHOVSTPITGNW-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1C#N ZINC000351691793 146179181 /nfs/dbraw/zinc/17/91/81/146179181.db2.gz IMCUIHWXKDCSNF-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000351764865 146198445 /nfs/dbraw/zinc/19/84/45/146198445.db2.gz RNRONPUVORDJMA-UHFFFAOYSA-N -1 0 347.714 2.843 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000351777036 146201873 /nfs/dbraw/zinc/20/18/73/146201873.db2.gz AEZNTTCSFAKAGG-UHFFFAOYSA-N -1 0 346.730 2.876 20 30 EFEDRM COC1CCC(C)(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000352129378 146296734 /nfs/dbraw/zinc/29/67/34/146296734.db2.gz QIDQIDJWUYXPTJ-UHFFFAOYSA-N -1 0 349.456 2.706 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1F ZINC000352977895 146364195 /nfs/dbraw/zinc/36/41/95/146364195.db2.gz RMHPOWKHJOCRNI-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cc1nc(SCC(=O)NCCCCCC(=O)[O-])c(C#N)c(C)c1C ZINC000355868811 147086598 /nfs/dbraw/zinc/08/65/98/147086598.db2.gz YZTFADPUTLKWSE-UHFFFAOYSA-N -1 0 349.456 2.732 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1C#N ZINC000355879253 147089414 /nfs/dbraw/zinc/08/94/14/147089414.db2.gz JTLSUIPEDUNNRN-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(Cl)cc(Br)c2)c1C#N ZINC000357261708 147472435 /nfs/dbraw/zinc/47/24/35/147472435.db2.gz RLMKWMWYSACDTJ-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)c2cccs2)n1 ZINC000357702979 147598722 /nfs/dbraw/zinc/59/87/22/147598722.db2.gz FIOZXGKBAVXBGH-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc12 ZINC000359576885 148128084 /nfs/dbraw/zinc/12/80/84/148128084.db2.gz AAOBTXFWGVLSFQ-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000359716914 148170006 /nfs/dbraw/zinc/17/00/06/148170006.db2.gz NDWRCRHQVPCZCY-JQWIXIFHSA-N -1 0 328.322 2.601 20 30 EFEDRM Cc1nc(CC(C)C)sc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359717759 148170138 /nfs/dbraw/zinc/17/01/38/148170138.db2.gz ODODLRHAAAMHPD-UHFFFAOYSA-N -1 0 329.429 2.796 20 30 EFEDRM Cc1nc2cc(F)ccc2cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359720847 148170968 /nfs/dbraw/zinc/17/09/68/148170968.db2.gz XJOJCJOSLVWTCQ-UHFFFAOYSA-N -1 0 335.342 2.829 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(F)c(Br)c1 ZINC000359718775 148171087 /nfs/dbraw/zinc/17/10/87/148171087.db2.gz QUMUQSLHSCKWEG-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cncc(-c2ccccc2)c1 ZINC000359719937 148171297 /nfs/dbraw/zinc/17/12/97/148171297.db2.gz VGONDWIMIXFVCP-UHFFFAOYSA-N -1 0 329.363 2.895 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(Br)c1 ZINC000359726181 148172765 /nfs/dbraw/zinc/17/27/65/148172765.db2.gz QINDOXGNUNXYOR-UHFFFAOYSA-N -1 0 331.173 2.595 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1Cl ZINC000359849435 148207689 /nfs/dbraw/zinc/20/76/89/148207689.db2.gz QDNSHLHEQFINJQ-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000361529480 148645456 /nfs/dbraw/zinc/64/54/56/148645456.db2.gz UBKMTOCVDWZXRB-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)no1 ZINC000362865810 148898476 /nfs/dbraw/zinc/89/84/76/148898476.db2.gz DCDUZOQZUKAKBB-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416936707 286115536 /nfs/dbraw/zinc/11/55/36/286115536.db2.gz IHXIALKMIKXASB-LLVKDONJSA-N -1 0 346.836 2.799 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC000408192839 152161822 /nfs/dbraw/zinc/16/18/22/152161822.db2.gz PXHQWZMEYFRWDY-USXIJHARSA-N -1 0 346.452 2.970 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000408482455 152198660 /nfs/dbraw/zinc/19/86/60/152198660.db2.gz HYHKKUMSZVQWMX-IOASZLSFSA-N -1 0 334.441 2.577 20 30 EFEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC(C)(C)C1 ZINC000408486920 152199059 /nfs/dbraw/zinc/19/90/59/152199059.db2.gz KOLFSWBTLWOTDT-OLZOCXBDSA-N -1 0 349.456 2.611 20 30 EFEDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408498576 152201815 /nfs/dbraw/zinc/20/18/15/152201815.db2.gz LNILXNJFYLQSAN-GWCFXTLKSA-N -1 0 340.832 2.843 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)c(C#N)c2[C@H]1C ZINC000414102418 296767181 /nfs/dbraw/zinc/76/71/81/296767181.db2.gz SXLGHEXCWBKYBL-LLHIFLOGSA-N -1 0 348.424 2.876 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(F)c1 ZINC000124177198 222387772 /nfs/dbraw/zinc/38/77/72/222387772.db2.gz RWPOBDUFAMZPKO-ZDUSSCGKSA-N -1 0 338.335 2.785 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000181431436 544933680 /nfs/dbraw/zinc/93/36/80/544933680.db2.gz OASJFSVFYNLXOL-LBPRGKRZSA-N -1 0 327.413 2.611 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000281656707 269952846 /nfs/dbraw/zinc/95/28/46/269952846.db2.gz NFMCNGDXEUOQQB-MRVPVSSYSA-N -1 0 336.310 2.550 20 30 EFEDRM CCn1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000083536723 264618071 /nfs/dbraw/zinc/61/80/71/264618071.db2.gz TXGNPMDVKVZTIU-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427257396 270028013 /nfs/dbraw/zinc/02/80/13/270028013.db2.gz PGJVHCWFOARNQF-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM CC1(C)C(c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)n[nH]2)C1(C)C ZINC000295189014 265949070 /nfs/dbraw/zinc/94/90/70/265949070.db2.gz KMRWXJIUBNWWKG-UHFFFAOYSA-N -1 0 345.428 2.627 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C1CC1 ZINC000269646380 266473861 /nfs/dbraw/zinc/47/38/61/266473861.db2.gz FAAIKMVCODVZHE-UHFFFAOYSA-N -1 0 330.413 2.761 20 30 EFEDRM CCCOc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(OCCC)c1 ZINC000508752454 267027618 /nfs/dbraw/zinc/02/76/18/267027618.db2.gz GTILPXWFINMLKZ-UHFFFAOYSA-N -1 0 342.399 2.842 20 30 EFEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1 ZINC000276821182 267055706 /nfs/dbraw/zinc/05/57/06/267055706.db2.gz GGBXJDCDIZSIBV-UHFFFAOYSA-N -1 0 344.396 2.552 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276938277 267081886 /nfs/dbraw/zinc/08/18/86/267081886.db2.gz AHPWSMKHCRWAHV-UHFFFAOYSA-N -1 0 333.697 2.607 20 30 EFEDRM C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000276997825 267095600 /nfs/dbraw/zinc/09/56/00/267095600.db2.gz JGRMFFCAYZIBTE-SECBINFHSA-N -1 0 328.290 2.620 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1C ZINC000277049282 267106584 /nfs/dbraw/zinc/10/65/84/267106584.db2.gz NFVGEZVFEXFPFM-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000451072983 267176991 /nfs/dbraw/zinc/17/69/91/267176991.db2.gz PVDTVHUJHJXJII-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000531125836 267248289 /nfs/dbraw/zinc/24/82/89/267248289.db2.gz OGZCLRMDCRRBRQ-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(C#N)cc1Cl ZINC000277747939 267251799 /nfs/dbraw/zinc/25/17/99/267251799.db2.gz VZKHIYCAXSSZLZ-UHFFFAOYSA-N -1 0 333.697 2.607 20 30 EFEDRM COc1ccc([C@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])cc1F ZINC000514705872 267643550 /nfs/dbraw/zinc/64/35/50/267643550.db2.gz RHOMEUOFQUMCES-HNNXBMFYSA-N -1 0 343.314 2.653 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC000446968814 268160137 /nfs/dbraw/zinc/16/01/37/268160137.db2.gz ATNYSLPORVCYPH-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)CCC2CCCCC2)ncc2c1COCC2 ZINC000520390321 268167770 /nfs/dbraw/zinc/16/77/70/268167770.db2.gz MQKGICMRINEGNQ-UHFFFAOYSA-N -1 0 349.456 2.738 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)o1 ZINC000288564130 268207624 /nfs/dbraw/zinc/20/76/24/268207624.db2.gz ZYGBBULWQFHIAE-HNNXBMFYSA-N -1 0 348.380 2.510 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1F ZINC000427200818 268259983 /nfs/dbraw/zinc/25/99/83/268259983.db2.gz SKRWOUDOASNWND-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000493813483 268265877 /nfs/dbraw/zinc/26/58/77/268265877.db2.gz DAZPHFYUHFZJLG-CMDGGOBGSA-N -1 0 332.425 2.598 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000516616261 268280430 /nfs/dbraw/zinc/28/04/30/268280430.db2.gz VJTOHLYQBSXNHJ-KRWDZBQOSA-N -1 0 348.362 2.857 20 30 EFEDRM N#Cc1cnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000290581715 268311407 /nfs/dbraw/zinc/31/14/07/268311407.db2.gz CATFOGQMZHZGTD-VIFPVBQESA-N -1 0 346.740 2.502 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(F)c2)c1 ZINC000185140835 273050214 /nfs/dbraw/zinc/05/02/14/273050214.db2.gz WYJDYDZFIKLGCM-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000277167416 273149278 /nfs/dbraw/zinc/14/92/78/273149278.db2.gz MGRQMFQGOWIVDH-LLVKDONJSA-N -1 0 335.351 2.599 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000123359841 292978945 /nfs/dbraw/zinc/97/89/45/292978945.db2.gz YUVGAIFDWIEODU-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125790321 293016878 /nfs/dbraw/zinc/01/68/78/293016878.db2.gz YHAFXVKSOICLBW-SECBINFHSA-N -1 0 334.413 2.646 20 30 EFEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128029702 293088887 /nfs/dbraw/zinc/08/88/87/293088887.db2.gz QFKCZRDUFPDESJ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000128560427 293108050 /nfs/dbraw/zinc/10/80/50/293108050.db2.gz NCFQRFJLKWSENY-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000131798083 293208443 /nfs/dbraw/zinc/20/84/43/293208443.db2.gz IWOOJPNIWRBCDC-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000132141998 293219309 /nfs/dbraw/zinc/21/93/09/293219309.db2.gz XQUOIJSPHULRLW-UHFFFAOYSA-N -1 0 333.417 2.568 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1-c1ccccc1 ZINC000152605263 293341621 /nfs/dbraw/zinc/34/16/21/293341621.db2.gz ILUNUMFNBWQGEW-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1ccc(Cc2nc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cs2)cc1 ZINC000153179226 293364480 /nfs/dbraw/zinc/36/44/80/293364480.db2.gz LPPVAANFPYCIAN-UHFFFAOYSA-N -1 0 348.391 2.761 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)cc1 ZINC000255640199 293876475 /nfs/dbraw/zinc/87/64/75/293876475.db2.gz NJOHEWPXEFOSIM-KHPPLWFESA-N -1 0 332.425 2.641 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000048480666 295472582 /nfs/dbraw/zinc/47/25/82/295472582.db2.gz HKJXVTZBRZTADJ-UHFFFAOYSA-N -1 0 332.219 2.787 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000263103174 297342519 /nfs/dbraw/zinc/34/25/19/297342519.db2.gz KEWUAYGNVAFIDT-YPMHNXCESA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@@H]1C[C@H](C)CN(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)C1 ZINC000178937015 297353807 /nfs/dbraw/zinc/35/38/07/297353807.db2.gz OIHWLLHQVGKOTC-OKILXGFUSA-N -1 0 346.475 2.847 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccccc2CC#N)c1 ZINC000355851448 301172589 /nfs/dbraw/zinc/17/25/89/301172589.db2.gz YHOYMYYUPGDOHG-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1cc(N2CCC(C(=O)[O-])CC2)n2c3ccccc3nc2c1C#N ZINC000262068783 301331775 /nfs/dbraw/zinc/33/17/75/301331775.db2.gz BUTFFUQUJDXKQO-UHFFFAOYSA-N -1 0 334.379 2.969 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C ZINC000073507723 301427232 /nfs/dbraw/zinc/42/72/32/301427232.db2.gz IVNNIFCOTNELGL-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nnc2n1CCCCC2 ZINC000187288094 303165942 /nfs/dbraw/zinc/16/59/42/303165942.db2.gz UIGPOZBDPCVHBY-CYBMUJFWSA-N -1 0 339.399 2.751 20 30 EFEDRM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856935 303167460 /nfs/dbraw/zinc/16/74/60/303167460.db2.gz ZXTSSFWMTSKMBL-RDDDGLTNSA-N -1 0 327.153 2.716 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC000408192836 303205149 /nfs/dbraw/zinc/20/51/49/303205149.db2.gz PXHQWZMEYFRWDY-BHYGNILZSA-N -1 0 346.452 2.970 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000408192837 303205180 /nfs/dbraw/zinc/20/51/80/303205180.db2.gz PXHQWZMEYFRWDY-DJIMGWMZSA-N -1 0 346.452 2.970 20 30 EFEDRM N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](C(=O)[O-])C1 ZINC000263532037 303213320 /nfs/dbraw/zinc/21/33/20/303213320.db2.gz XBOLQJSMBATYDR-SECBINFHSA-N -1 0 346.184 2.780 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)[n-]c1C#N ZINC000075555078 303216682 /nfs/dbraw/zinc/21/66/82/303216682.db2.gz LDBDLQUSIZWMNG-ZJUUUORDSA-N -1 0 345.284 2.914 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000137238911 310668064 /nfs/dbraw/zinc/66/80/64/310668064.db2.gz OMGDWJCGHRVGGN-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1CO ZINC000137308010 310668371 /nfs/dbraw/zinc/66/83/71/310668371.db2.gz LHSZVRWQQWIBHN-UHFFFAOYSA-N -1 0 346.408 2.559 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1C#N ZINC000137324769 310668772 /nfs/dbraw/zinc/66/87/72/310668772.db2.gz NMFNPUQKUUQEIF-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000161033116 310705331 /nfs/dbraw/zinc/70/53/31/310705331.db2.gz YEHDFFAYJAHPSG-CQSZACIVSA-N -1 0 344.392 2.527 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C ZINC000164023373 310729129 /nfs/dbraw/zinc/72/91/29/310729129.db2.gz TTYLJUPPWPXNQK-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000164008195 310729209 /nfs/dbraw/zinc/72/92/09/310729209.db2.gz DMNYZNXDKAFORF-UHFFFAOYSA-N -1 0 336.442 2.858 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1F ZINC000170848627 310738529 /nfs/dbraw/zinc/73/85/29/310738529.db2.gz SRUPSRWJTAWJMR-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1nc(C2CCCCC2)sc1C(=O)N=c1[n-]n(C)cc1C#N ZINC000537157893 317663259 /nfs/dbraw/zinc/66/32/59/317663259.db2.gz CLFGOUMEIPWXLW-UHFFFAOYSA-N -1 0 329.429 2.779 20 30 EFEDRM C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000542758519 317824851 /nfs/dbraw/zinc/82/48/51/317824851.db2.gz DIGHUKMSPIZFFD-LLVKDONJSA-N -1 0 336.363 2.918 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1C ZINC000545999567 317947696 /nfs/dbraw/zinc/94/76/96/317947696.db2.gz RZEBLIWQIQKKIX-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548266362 318087430 /nfs/dbraw/zinc/08/74/30/318087430.db2.gz WAURGHNDHXBZQT-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548593616 318121845 /nfs/dbraw/zinc/12/18/45/318121845.db2.gz ISXQRHRYKQFMLT-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000555201415 318349169 /nfs/dbraw/zinc/34/91/69/318349169.db2.gz RWXUDTDOHQZEKA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cn1 ZINC000556096337 318378872 /nfs/dbraw/zinc/37/88/72/318378872.db2.gz UDBRZQCDYJHCTI-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)[n-]1 ZINC000566538020 319086867 /nfs/dbraw/zinc/08/68/67/319086867.db2.gz VPBKABJRLLLTHJ-KGLIPLIRSA-N -1 0 330.338 2.745 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCSC[C@@H]2C2CCC2)cc1C#N ZINC000567453423 319172671 /nfs/dbraw/zinc/17/26/71/319172671.db2.gz FXQOAJSPANVPPY-CYBMUJFWSA-N -1 0 349.481 2.738 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000570740177 319508413 /nfs/dbraw/zinc/50/84/13/319508413.db2.gz JFNBFJNAHRDNKB-VTPJWHAVSA-N -1 0 348.443 2.986 20 30 EFEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F ZINC000574751061 319891559 /nfs/dbraw/zinc/89/15/59/319891559.db2.gz PNZLGELCCMATSE-QPUJVOFHSA-N -1 0 338.326 2.953 20 30 EFEDRM CC(C)c1n[n-]c(=N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000576345450 320007357 /nfs/dbraw/zinc/00/73/57/320007357.db2.gz RHYSKQSNYMFKKQ-CYBMUJFWSA-N -1 0 329.379 2.707 20 30 EFEDRM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000578167376 320180572 /nfs/dbraw/zinc/18/05/72/320180572.db2.gz NOXHKYFSWJUEHG-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007056967 323210251 /nfs/dbraw/zinc/21/02/51/323210251.db2.gz LXQPRMQMLICJJG-UHFFFAOYSA-N -1 0 330.365 2.520 20 30 EFEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000181662012 323243720 /nfs/dbraw/zinc/24/37/20/323243720.db2.gz MXLIJOALTLTUIL-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000182738630 323299276 /nfs/dbraw/zinc/29/92/76/323299276.db2.gz IAHQBMJIWQLPMY-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)cn2)c1 ZINC000182908366 323307014 /nfs/dbraw/zinc/30/70/14/323307014.db2.gz IOAMQOXBESUGCF-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)Cc2cnc3ccccc3n2)[n-]1 ZINC000581237110 324333020 /nfs/dbraw/zinc/33/30/20/324333020.db2.gz VQOJGFTXIKVTBO-ZDUSSCGKSA-N -1 0 348.410 2.518 20 30 EFEDRM CC[C@H](C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000583206416 324761788 /nfs/dbraw/zinc/76/17/88/324761788.db2.gz MTJNGBJKIZFNBU-WFASDCNBSA-N -1 0 334.441 2.797 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(F)(F)F ZINC000083577273 463551129 /nfs/dbraw/zinc/55/11/29/463551129.db2.gz DRKPCCDKAKPNFI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1noc(-c2cccs2)n1 ZINC000538713356 468365649 /nfs/dbraw/zinc/36/56/49/468365649.db2.gz VUAUGRCOUBCRQN-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1 ZINC000161024127 473200332 /nfs/dbraw/zinc/20/03/32/473200332.db2.gz HHWYKIRAZGGPPO-AWEZNQCLSA-N -1 0 344.392 2.527 20 30 EFEDRM N#Cc1cc(NC(=O)c2cncc([O-])c2)ccc1OCC(F)(F)F ZINC000111567999 473219345 /nfs/dbraw/zinc/21/93/45/473219345.db2.gz BYGHMODCVMLHTI-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111644782 473220793 /nfs/dbraw/zinc/22/07/93/473220793.db2.gz YDYNBJQEIYCSCW-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM C=CCCOCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 ZINC000138551324 473220857 /nfs/dbraw/zinc/22/08/57/473220857.db2.gz XGQKILIZILNERA-UHFFFAOYSA-N -1 0 327.384 2.531 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC#N)C(C)C)n1 ZINC000081728619 473246625 /nfs/dbraw/zinc/24/66/25/473246625.db2.gz OFWZTCMZCBFAFL-UHFFFAOYSA-N -1 0 330.363 2.790 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000124583910 473269213 /nfs/dbraw/zinc/26/92/13/473269213.db2.gz JXZBSKVDAHVIIQ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)s1 ZINC000610725171 469051805 /nfs/dbraw/zinc/05/18/05/469051805.db2.gz KDXHJRRRBMJEJF-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000610725604 469051888 /nfs/dbraw/zinc/05/18/88/469051888.db2.gz OCGIUBDORMTVTM-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(F)(F)F ZINC000083577194 473352066 /nfs/dbraw/zinc/35/20/66/473352066.db2.gz SSJUIBVCQUQZCV-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cc(F)cc2c(O)c(C(=O)NCc3ccc(C#N)cc3)cnc12 ZINC000162598416 473359865 /nfs/dbraw/zinc/35/98/65/473359865.db2.gz UCOJOSOTDHRUOG-UHFFFAOYSA-N -1 0 335.338 2.777 20 30 EFEDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000096295091 473371056 /nfs/dbraw/zinc/37/10/56/473371056.db2.gz NFUAPKYCWQBYAP-RUDMXATFSA-N -1 0 346.330 2.738 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc2ccccc2n1 ZINC000083942192 473374039 /nfs/dbraw/zinc/37/40/39/473374039.db2.gz QCIBHAIQMOYYAR-BZYZDCJZSA-N -1 0 334.397 2.569 20 30 EFEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000614493339 469954800 /nfs/dbraw/zinc/95/48/00/469954800.db2.gz NWHFDKNSTDKPFC-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)cc1[O-] ZINC000352523250 475377803 /nfs/dbraw/zinc/37/78/03/475377803.db2.gz LHDKNBIKBHJMTG-UHFFFAOYSA-N -1 0 349.346 2.560 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000393733653 476835485 /nfs/dbraw/zinc/83/54/85/476835485.db2.gz CSRUPIWAHBCBLY-CJNGLKHVSA-N -1 0 329.400 2.818 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000416959628 477387580 /nfs/dbraw/zinc/38/75/80/477387580.db2.gz YZFKIGJQAXAWOP-NSHDSACASA-N -1 0 341.820 2.511 20 30 EFEDRM Cc1ncc(CO)c(/C=N/C[C@H](c2ccccc2Cl)N(C)C)c1O ZINC000005110934 471486809 /nfs/dbraw/zinc/48/68/09/471486809.db2.gz QFQDCYPFMMLHSJ-BSNPHMGVSA-N -1 0 347.846 2.963 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006650797 471557274 /nfs/dbraw/zinc/55/72/74/471557274.db2.gz QAAWPSPJRNNXOM-NSHDSACASA-N -1 0 336.307 2.970 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013263479 471823600 /nfs/dbraw/zinc/82/36/00/471823600.db2.gz YZNBRJQYZCOURQ-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000016129147 471926735 /nfs/dbraw/zinc/92/67/35/471926735.db2.gz IFOUHPLXFCPATB-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM C=CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1C1CC1 ZINC000036800620 472006169 /nfs/dbraw/zinc/00/61/69/472006169.db2.gz ODCDCCYERBIDGR-UHFFFAOYSA-N -1 0 345.453 2.932 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1C#N ZINC000067594353 472055963 /nfs/dbraw/zinc/05/59/63/472055963.db2.gz BHSXPCMWSMIWQU-TZMCWYRMSA-N -1 0 343.383 2.806 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2ccccc2[nH]1 ZINC000041494316 472066947 /nfs/dbraw/zinc/06/69/47/472066947.db2.gz BHZQHXPGEMRTJI-CYBMUJFWSA-N -1 0 328.335 2.634 20 30 EFEDRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000054423735 472087443 /nfs/dbraw/zinc/08/74/43/472087443.db2.gz WSWVWHYQGSWRIR-UHFFFAOYSA-N -1 0 349.408 2.849 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1cccc(C)c1 ZINC000054451967 472089735 /nfs/dbraw/zinc/08/97/35/472089735.db2.gz NJJSFOVKVIOZJN-MRXNPFEDSA-N -1 0 346.394 2.781 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1 ZINC000054489740 472092427 /nfs/dbraw/zinc/09/24/27/472092427.db2.gz LCQMQVPGPJDBMD-GFCCVEGCSA-N -1 0 342.373 2.508 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2CC)n1 ZINC000067893873 472106469 /nfs/dbraw/zinc/10/64/69/472106469.db2.gz YRFILWDLDNNVSZ-VIFPVBQESA-N -1 0 333.369 2.669 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)n1 ZINC000067895631 472106679 /nfs/dbraw/zinc/10/66/79/472106679.db2.gz ALTFHRGKAOCXCX-LLVKDONJSA-N -1 0 345.336 2.718 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)n1 ZINC000067895629 472106832 /nfs/dbraw/zinc/10/68/32/472106832.db2.gz ALTFHRGKAOCXCX-NSHDSACASA-N -1 0 345.336 2.718 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076270 472131201 /nfs/dbraw/zinc/13/12/01/472131201.db2.gz NLCTZXFGQUMWSD-UHFFFAOYSA-N -1 0 344.392 2.788 20 30 EFEDRM N#Cc1nc(NC(=O)CCCc2ncc(-c3ccccc3)o2)[n-]c1C#N ZINC000043032186 472191122 /nfs/dbraw/zinc/19/11/22/472191122.db2.gz FWRCEDBFVNLTLI-UHFFFAOYSA-N -1 0 346.350 2.769 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000055566899 472205575 /nfs/dbraw/zinc/20/55/75/472205575.db2.gz AVCAKOVKVFALCT-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000055632785 472214516 /nfs/dbraw/zinc/21/45/16/472214516.db2.gz QQWOIXPNVIQHNY-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055648849 472217351 /nfs/dbraw/zinc/21/73/51/472217351.db2.gz BCVORFVBZFIXKA-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3cnccn3)n2)n1 ZINC000076020414 472243867 /nfs/dbraw/zinc/24/38/67/472243867.db2.gz DCXLBWUUWCUBFR-SECBINFHSA-N -1 0 327.394 2.855 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)n1 ZINC000085438497 472247526 /nfs/dbraw/zinc/24/75/26/472247526.db2.gz HCSBHKMHPQXMIH-CQSZACIVSA-N -1 0 330.363 2.694 20 30 EFEDRM CC(C)(C)[C@H](C#N)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000085439644 472249173 /nfs/dbraw/zinc/24/91/73/472249173.db2.gz JDZUJXNXHIGSST-ZDUSSCGKSA-N -1 0 344.440 2.504 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 ZINC000069282657 472316342 /nfs/dbraw/zinc/31/63/42/472316342.db2.gz KKKNGEAYFAXKGE-KGLIPLIRSA-N -1 0 341.429 2.533 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCO2)c1 ZINC000069282660 472316544 /nfs/dbraw/zinc/31/65/44/472316544.db2.gz KKKNGEAYFAXKGE-KBPBESRZSA-N -1 0 341.429 2.533 20 30 EFEDRM C=C(C)CN(CC)C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000069483952 472352363 /nfs/dbraw/zinc/35/23/63/472352363.db2.gz VHKSKBJIYVWPAY-UHFFFAOYSA-N -1 0 330.837 2.750 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CCCC1 ZINC000069579709 472374869 /nfs/dbraw/zinc/37/48/69/472374869.db2.gz UJMWXJFYNXRYGI-UHFFFAOYSA-N -1 0 336.413 2.797 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C#N ZINC000031432956 472378530 /nfs/dbraw/zinc/37/85/30/472378530.db2.gz GBONZDAZBLBAND-SNVBAGLBSA-N -1 0 338.392 2.743 20 30 EFEDRM Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cccnc2)c2ccccc21 ZINC000076761015 472398975 /nfs/dbraw/zinc/39/89/75/472398975.db2.gz XASKPBCBRFBCIX-CMDGGOBGSA-N -1 0 341.392 2.932 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)N3CCCC3)n2)n1 ZINC000076764052 472400200 /nfs/dbraw/zinc/40/02/00/472400200.db2.gz BWSQMMKZNZNAGQ-GFCCVEGCSA-N -1 0 340.408 2.573 20 30 EFEDRM N#Cc1nc(NC(=O)c2csc(CCc3ccccc3)n2)[n-]c1C#N ZINC000069704707 472403390 /nfs/dbraw/zinc/40/33/90/472403390.db2.gz FCHDBMNEVQRXSP-UHFFFAOYSA-N -1 0 348.391 2.647 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936782 472427306 /nfs/dbraw/zinc/42/73/06/472427306.db2.gz CDOLZPVRIZMOHZ-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000076936621 472427341 /nfs/dbraw/zinc/42/73/41/472427341.db2.gz WKNSWCCRKLCKJX-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2C2CC2)cc1 ZINC000069776358 472428655 /nfs/dbraw/zinc/42/86/55/472428655.db2.gz CZEJYENZQFYPFA-UHFFFAOYSA-N -1 0 332.406 2.616 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cccc(C#N)c2)cc1C#N ZINC000032459758 472438422 /nfs/dbraw/zinc/43/84/22/472438422.db2.gz PEULRPCHSULQRG-UHFFFAOYSA-N -1 0 338.392 2.525 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)nc1C ZINC000069831714 472446888 /nfs/dbraw/zinc/44/68/88/472446888.db2.gz HAHMHGLHZPJAEF-GFCCVEGCSA-N -1 0 329.381 2.822 20 30 EFEDRM CC(C)Oc1ccc(-c2nc(C(=O)[N-]S(C)(=O)=O)cs2)cc1 ZINC000069869406 472453687 /nfs/dbraw/zinc/45/36/87/472453687.db2.gz AFTFIBLMNXPXHD-UHFFFAOYSA-N -1 0 340.426 2.862 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)Cc2ccccc2F)cc1C#N ZINC000097130472 472456548 /nfs/dbraw/zinc/45/65/48/472456548.db2.gz ZNWUHSHGICGEKE-JTQLQIEISA-N -1 0 345.399 2.881 20 30 EFEDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000045774314 472459404 /nfs/dbraw/zinc/45/94/04/472459404.db2.gz NAPCZXGGNNCAEB-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1nscc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000097138856 472459510 /nfs/dbraw/zinc/45/95/10/472459510.db2.gz PAVWJSQPVAZIAD-UHFFFAOYSA-N -1 0 335.410 2.637 20 30 EFEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000057748615 472470817 /nfs/dbraw/zinc/47/08/17/472470817.db2.gz JEGMVUDSTHWNGU-JTQLQIEISA-N -1 0 327.450 2.759 20 30 EFEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000069938101 472471155 /nfs/dbraw/zinc/47/11/55/472471155.db2.gz OLZYJEZVWSCSFK-AWEZNQCLSA-N -1 0 334.383 2.551 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000117741012 472477622 /nfs/dbraw/zinc/47/76/22/472477622.db2.gz HKLJLGZROQSCEU-UHFFFAOYSA-N -1 0 344.318 2.616 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc(C)c1OC(F)F ZINC000070008191 472484041 /nfs/dbraw/zinc/48/40/41/472484041.db2.gz OYIAQMQIBVCHHQ-UHFFFAOYSA-N -1 0 331.282 2.624 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000101966143 472558823 /nfs/dbraw/zinc/55/88/23/472558823.db2.gz QYNLLOJBWDZZTK-GOSISDBHSA-N -1 0 344.374 2.511 20 30 EFEDRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000071803833 472569800 /nfs/dbraw/zinc/56/98/00/472569800.db2.gz GTHWXHUXJQXLJR-LLVKDONJSA-N -1 0 334.397 2.695 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc2cc(Br)cc(C)c2o1 ZINC000102317515 472571373 /nfs/dbraw/zinc/57/13/73/472571373.db2.gz JROYKQVQUXUIEK-SNVBAGLBSA-N -1 0 335.157 2.572 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)cc1C#N ZINC000129947295 472574776 /nfs/dbraw/zinc/57/47/76/472574776.db2.gz JDENIHRPSYHAEU-DZGCQCFKSA-N -1 0 339.420 2.563 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000130310306 472597341 /nfs/dbraw/zinc/59/73/41/472597341.db2.gz PZKDBEHHCQOXOP-UHFFFAOYSA-N -1 0 343.364 2.756 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000130485397 472608480 /nfs/dbraw/zinc/60/84/80/472608480.db2.gz RMRFTRLPOSJCOZ-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1Cl ZINC000155919678 472638941 /nfs/dbraw/zinc/63/89/41/472638941.db2.gz CRAKCBXBVQOCLF-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000156263633 472685089 /nfs/dbraw/zinc/68/50/89/472685089.db2.gz NRDKPNBALHFUOF-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000091052620 472688441 /nfs/dbraw/zinc/68/84/41/472688441.db2.gz RUAVROSONMBIEZ-UHFFFAOYSA-N -1 0 338.801 2.950 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)cn1 ZINC000091055276 472688885 /nfs/dbraw/zinc/68/88/85/472688885.db2.gz UTRMEAXAMQOFOT-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC000120457414 472691954 /nfs/dbraw/zinc/69/19/54/472691954.db2.gz PVCIEXXDXXZDHM-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM CC(C)(C)C(=O)NCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000121167547 472809979 /nfs/dbraw/zinc/80/99/79/472809979.db2.gz DWNAHPQZVLWABZ-LZYBPNLTSA-N -1 0 327.768 2.535 20 30 EFEDRM C=CCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000157384178 472815605 /nfs/dbraw/zinc/81/56/05/472815605.db2.gz DFNNHEFJNQEPKW-UHFFFAOYSA-N -1 0 325.290 2.855 20 30 EFEDRM C#CCOc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000073476131 472815584 /nfs/dbraw/zinc/81/55/84/472815584.db2.gz PBTXCHBEWDKBEX-UHFFFAOYSA-N -1 0 347.374 2.738 20 30 EFEDRM C=C(C)CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000157415945 472818458 /nfs/dbraw/zinc/81/84/58/472818458.db2.gz VHBSWAZJTBGIPV-UHFFFAOYSA-N -1 0 325.290 2.903 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000064479091 472857589 /nfs/dbraw/zinc/85/75/89/472857589.db2.gz UXYJRZOFXSCZEX-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000064478929 472857679 /nfs/dbraw/zinc/85/76/79/472857679.db2.gz RSROJUSGAPHGPG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2=O)cc1 ZINC000073766736 472870850 /nfs/dbraw/zinc/87/08/50/472870850.db2.gz FPGQUITZKMTZSF-KUHUBIRLSA-N -1 0 338.411 2.676 20 30 EFEDRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048409595 472872981 /nfs/dbraw/zinc/87/29/81/472872981.db2.gz WZRWLKKOHNCCMP-UHFFFAOYSA-N -1 0 346.836 2.682 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCCOc2ccccc2)cc1 ZINC000048422822 472876302 /nfs/dbraw/zinc/87/63/02/472876302.db2.gz YJNHXXUTETURHD-UHFFFAOYSA-N -1 0 349.408 2.736 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)cc1 ZINC000048452920 472879793 /nfs/dbraw/zinc/87/97/93/472879793.db2.gz IWTSIQZXTOZZKW-LBPRGKRZSA-N -1 0 327.402 2.690 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490165 472882445 /nfs/dbraw/zinc/88/24/45/472882445.db2.gz NIGIFHAIQBSNAM-HJWRWDBZSA-N -1 0 336.369 2.659 20 30 EFEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000048496820 472882884 /nfs/dbraw/zinc/88/28/84/472882884.db2.gz XEOMFMOXQIXPPO-UHFFFAOYSA-N -1 0 330.365 2.650 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1-n1cccn1 ZINC000106723078 472883714 /nfs/dbraw/zinc/88/37/14/472883714.db2.gz BOSUBGUEIYMEDR-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000048528443 472885847 /nfs/dbraw/zinc/88/58/47/472885847.db2.gz ZZWQKNUDWDNBSV-SECBINFHSA-N -1 0 348.446 2.615 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000073838625 472886750 /nfs/dbraw/zinc/88/67/50/472886750.db2.gz JEJQRLSOXJWBJD-UVBIMLPKSA-N -1 0 327.402 2.737 20 30 EFEDRM Cc1nc(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)oc1-c1ccccc1 ZINC000106905163 472908309 /nfs/dbraw/zinc/90/83/09/472908309.db2.gz MMRJPJOIVRNTJD-UHFFFAOYSA-N -1 0 346.350 2.688 20 30 EFEDRM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)Cc1cccs1 ZINC000122243627 472991488 /nfs/dbraw/zinc/99/14/88/472991488.db2.gz QDSIXRYURKTIRX-LLVKDONJSA-N -1 0 338.429 2.916 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)n1 ZINC000080285279 473010554 /nfs/dbraw/zinc/01/05/54/473010554.db2.gz VINBDWIEHNOHAD-JTQLQIEISA-N -1 0 346.412 2.667 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cccs2)sc1SCC#N ZINC000066253610 473064530 /nfs/dbraw/zinc/06/45/30/473064530.db2.gz UWNHESZBMPZLOK-UHFFFAOYSA-N -1 0 331.469 2.930 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000051899807 473071348 /nfs/dbraw/zinc/07/13/48/473071348.db2.gz ZDWOYRDJKYCWEF-NSHDSACASA-N -1 0 329.429 2.822 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000051899805 473072326 /nfs/dbraw/zinc/07/23/26/473072326.db2.gz ZDWOYRDJKYCWEF-LLVKDONJSA-N -1 0 329.429 2.822 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cn1 ZINC000109422305 473100578 /nfs/dbraw/zinc/10/05/78/473100578.db2.gz JUBUFKHSYPAPML-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000136092874 473133611 /nfs/dbraw/zinc/13/36/11/473133611.db2.gz UNENSIVEZYCJEW-CQSZACIVSA-N -1 0 348.449 2.908 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)nc1 ZINC000110121989 473143784 /nfs/dbraw/zinc/14/37/84/473143784.db2.gz ALLMESURQFUISY-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(N3CCOCC3)cc2)c1 ZINC000066887674 473169208 /nfs/dbraw/zinc/16/92/08/473169208.db2.gz DZRMFRMTVZDFRD-CPNJWEJPSA-N -1 0 341.367 2.756 20 30 EFEDRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137265678 473200439 /nfs/dbraw/zinc/20/04/39/473200439.db2.gz JSNRKRNOXLOMSX-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000161033226 473200909 /nfs/dbraw/zinc/20/09/09/473200909.db2.gz YEHDFFAYJAHPSG-AWEZNQCLSA-N -1 0 344.392 2.527 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000162961857 473400748 /nfs/dbraw/zinc/40/07/48/473400748.db2.gz MVVKRZUTPHAEGS-UHFFFAOYSA-N -1 0 347.378 2.529 20 30 EFEDRM Cn1c2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2oc1=O ZINC000190885230 473418855 /nfs/dbraw/zinc/41/88/55/473418855.db2.gz UBZDZMXWBCQMSM-LBPRGKRZSA-N -1 0 344.330 2.565 20 30 EFEDRM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125532283 473423280 /nfs/dbraw/zinc/42/32/80/473423280.db2.gz YXPSODGAURDQCF-WDEREUQCSA-N -1 0 346.424 2.789 20 30 EFEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1 ZINC000190900602 473424098 /nfs/dbraw/zinc/42/40/98/473424098.db2.gz BBUKIQBURJWOAC-ZDUSSCGKSA-N -1 0 334.383 2.757 20 30 EFEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190907589 473426154 /nfs/dbraw/zinc/42/61/54/473426154.db2.gz LPAINBPTAAYERN-AWEZNQCLSA-N -1 0 331.331 2.906 20 30 EFEDRM N#CC(=C([O-])c1cccc2c1OCCO2)c1cnc2ccccc2n1 ZINC000190919413 473428426 /nfs/dbraw/zinc/42/84/26/473428426.db2.gz NTSZEOZMUYHQMC-CYBMUJFWSA-N -1 0 331.331 2.891 20 30 EFEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190937529 473434555 /nfs/dbraw/zinc/43/45/55/473434555.db2.gz DDYDNLKDSDTGKE-SGANQWHYSA-N -1 0 349.415 2.998 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc(C)c1F ZINC000164018738 473475957 /nfs/dbraw/zinc/47/59/57/473475957.db2.gz PMEZPRNCLIAZNV-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1C#N ZINC000185647831 473476965 /nfs/dbraw/zinc/47/69/65/473476965.db2.gz DVQSMPZDCJXFNJ-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(C)c2c(n1)CCCC2 ZINC000185725118 473497729 /nfs/dbraw/zinc/49/77/29/473497729.db2.gz PSJUCVCWGFGOQQ-UHFFFAOYSA-N -1 0 342.424 2.645 20 30 EFEDRM CC(C)(C)c1[n-]n(CC(=O)NCc2cccs2)c(=O)c1CCC#N ZINC000151834588 473498278 /nfs/dbraw/zinc/49/82/78/473498278.db2.gz VCLCDWBIDLFOAZ-UHFFFAOYSA-N -1 0 346.456 2.720 20 30 EFEDRM C#CCN(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000191177372 473498514 /nfs/dbraw/zinc/49/85/14/473498514.db2.gz UIHHVQPCZGPLSU-UHFFFAOYSA-N -1 0 347.006 2.622 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)CC(=O)[O-] ZINC000170591140 473557908 /nfs/dbraw/zinc/55/79/08/473557908.db2.gz DGRZDUQDEYSSIQ-UHFFFAOYSA-N -1 0 331.290 2.817 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H](C)c3ccccc32)cc1C#N ZINC000126960441 473563596 /nfs/dbraw/zinc/56/35/96/473563596.db2.gz ZGLDLTORQNQRCL-JTQLQIEISA-N -1 0 325.393 2.732 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1[N+](=O)[O-] ZINC000179024610 473614424 /nfs/dbraw/zinc/61/44/24/473614424.db2.gz CYSBQVFCSBJQOA-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccn1 ZINC000153262119 473616420 /nfs/dbraw/zinc/61/64/20/473616420.db2.gz QGJSUYOMORCQBT-LBPRGKRZSA-N -1 0 333.307 2.666 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000172590564 473652122 /nfs/dbraw/zinc/65/21/22/473652122.db2.gz YADDJTYYFMLVAW-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000179424211 473687113 /nfs/dbraw/zinc/68/71/13/473687113.db2.gz LOUXVCJFKHHGMJ-SNVBAGLBSA-N -1 0 346.389 2.783 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1 ZINC000186623892 473703948 /nfs/dbraw/zinc/70/39/48/473703948.db2.gz WGMHISLEZVQZOD-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)c3C#N)cc12 ZINC000186639772 473710684 /nfs/dbraw/zinc/71/06/84/473710684.db2.gz YERTWIAIGUCYOR-UHFFFAOYSA-N -1 0 342.380 2.766 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccccc2C)CCCCC1)C(=O)[O-] ZINC000262918224 473738441 /nfs/dbraw/zinc/73/84/41/473738441.db2.gz FZQCDLYYXBLIMR-KRWDZBQOSA-N -1 0 345.439 2.969 20 30 EFEDRM C=CCC1(C(=O)NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)CCC1 ZINC000263538781 473771752 /nfs/dbraw/zinc/77/17/52/473771752.db2.gz PVPLTCZAECEECK-UHFFFAOYSA-N -1 0 339.395 2.933 20 30 EFEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193361949 473783819 /nfs/dbraw/zinc/78/38/19/473783819.db2.gz LBWNTCJJXJIVST-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F ZINC000288475933 473953588 /nfs/dbraw/zinc/95/35/88/473953588.db2.gz BSTLSWSHZQLAFO-UHFFFAOYSA-N -1 0 337.376 2.936 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000194793961 473954156 /nfs/dbraw/zinc/95/41/56/473954156.db2.gz XPLXXTFQZAAYIB-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(CCC(C)C)o1 ZINC000194874312 473967909 /nfs/dbraw/zinc/96/79/09/473967909.db2.gz DAWJZQIHMKAVLO-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM N#C[C@@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1 ZINC000181293409 474022848 /nfs/dbraw/zinc/02/28/48/474022848.db2.gz YNVLLSFPDRESTE-QMMMGPOBSA-N -1 0 342.252 2.525 20 30 EFEDRM C=CCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000274976772 474027270 /nfs/dbraw/zinc/02/72/70/474027270.db2.gz AHJADMMRANDQLS-UHFFFAOYSA-N -1 0 339.291 2.601 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[O-] ZINC000188239384 474030128 /nfs/dbraw/zinc/03/01/28/474030128.db2.gz JTRRTEJBEUMBMK-UHFFFAOYSA-N -1 0 330.727 2.941 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288723514 474033188 /nfs/dbraw/zinc/03/31/88/474033188.db2.gz ZACVCPIRMQWFNJ-NSHDSACASA-N -1 0 338.738 2.831 20 30 EFEDRM CCn1cnnc1-c1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188314192 474055283 /nfs/dbraw/zinc/05/52/83/474055283.db2.gz HUSQRRISKMCYRX-UHFFFAOYSA-N -1 0 333.351 2.795 20 30 EFEDRM COCCOc1cc(C)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188339043 474063980 /nfs/dbraw/zinc/06/39/80/474063980.db2.gz UDUDVPYYFYXNCV-UHFFFAOYSA-N -1 0 326.352 2.850 20 30 EFEDRM N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000282478184 474080753 /nfs/dbraw/zinc/08/07/53/474080753.db2.gz XJFUKYBKEQAFTO-JTQLQIEISA-N -1 0 332.347 2.801 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000182013681 474082028 /nfs/dbraw/zinc/08/20/28/474082028.db2.gz GYDRFQXCLQFYMN-CYBMUJFWSA-N -1 0 331.715 2.948 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1Cl ZINC000174768299 474093140 /nfs/dbraw/zinc/09/31/40/474093140.db2.gz MLCYOMGZVACRFY-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000275187718 474099733 /nfs/dbraw/zinc/09/97/33/474099733.db2.gz YYSRLNQTFCSHKI-LLVKDONJSA-N -1 0 331.821 2.521 20 30 EFEDRM Cc1cccc(S(=O)(=O)NCCCCCCCC(=O)[O-])c1C#N ZINC000275307898 474139496 /nfs/dbraw/zinc/13/94/96/474139496.db2.gz RCALHPGZZYGYCS-UHFFFAOYSA-N -1 0 338.429 2.570 20 30 EFEDRM COCCCOc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188623416 474145121 /nfs/dbraw/zinc/14/51/21/474145121.db2.gz QSVDUHDVELGESY-UHFFFAOYSA-N -1 0 326.352 2.931 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000633988628 480086404 /nfs/dbraw/zinc/08/64/04/480086404.db2.gz OHPGFPDOHZHQIP-GFCCVEGCSA-N -1 0 332.429 2.774 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182570141 474209116 /nfs/dbraw/zinc/20/91/16/474209116.db2.gz QUZMZOILFKYJLK-UHFFFAOYSA-N -1 0 345.428 2.764 20 30 EFEDRM N#CC1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC1 ZINC000275586001 474243089 /nfs/dbraw/zinc/24/30/89/474243089.db2.gz KWUOEQHDNKMOJL-UHFFFAOYSA-N -1 0 327.153 2.830 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000228195191 474249197 /nfs/dbraw/zinc/24/91/97/474249197.db2.gz LMDXVRDBBRBRKA-ZCFIWIBFSA-N -1 0 339.161 2.771 20 30 EFEDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000182944679 474294447 /nfs/dbraw/zinc/29/44/47/474294447.db2.gz OZIXFHZFYZHOSO-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM C=CCOc1cccc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000183652523 474406558 /nfs/dbraw/zinc/40/65/58/474406558.db2.gz CNCXRWZBCFSAHI-ZDUSSCGKSA-N -1 0 344.333 2.893 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(F)c1 ZINC000608852057 480101080 /nfs/dbraw/zinc/10/10/80/480101080.db2.gz UAZDXKOORXRFCA-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237991534 474517018 /nfs/dbraw/zinc/51/70/18/474517018.db2.gz LIINLZKWHAKKHC-VGZDNEPHSA-N -1 0 342.395 2.848 20 30 EFEDRM C=CCN(C(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O)C1CC1 ZINC000271428928 474542222 /nfs/dbraw/zinc/54/22/22/474542222.db2.gz RJKOKJJGEZAALK-UHFFFAOYSA-N -1 0 341.436 2.662 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(F)c1 ZINC000609106271 480112262 /nfs/dbraw/zinc/11/22/62/480112262.db2.gz BWOPYDKCNRXLBP-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1 ZINC000276750953 474569303 /nfs/dbraw/zinc/56/93/03/474569303.db2.gz CKYSVTCSFYRXTO-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2O1 ZINC000290460542 474572379 /nfs/dbraw/zinc/57/23/79/474572379.db2.gz FGMMNRWCWQAGAF-INIZCTEOSA-N -1 0 345.380 2.651 20 30 EFEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000277167418 474580178 /nfs/dbraw/zinc/58/01/78/474580178.db2.gz MGRQMFQGOWIVDH-NSHDSACASA-N -1 0 335.351 2.599 20 30 EFEDRM N#Cc1c(F)cccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290747687 474585036 /nfs/dbraw/zinc/58/50/36/474585036.db2.gz SCTZSRNXOMDHBB-JTQLQIEISA-N -1 0 329.297 2.592 20 30 EFEDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccc(C#N)nc3)nc21 ZINC000291001876 474589421 /nfs/dbraw/zinc/58/94/21/474589421.db2.gz VGFODBHDYQRSTO-UHFFFAOYSA-N -1 0 348.453 2.824 20 30 EFEDRM C=CCC(CC=C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC000271938553 474598286 /nfs/dbraw/zinc/59/82/86/474598286.db2.gz OBAGCMJUGLPSLH-INIZCTEOSA-N -1 0 331.412 2.823 20 30 EFEDRM C=CCN1CC[C@@H](N(C)Cc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000291485652 474605454 /nfs/dbraw/zinc/60/54/54/474605454.db2.gz GCOXRRRVJOMJEX-CQSZACIVSA-N -1 0 328.334 2.630 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000184792185 474608713 /nfs/dbraw/zinc/60/87/13/474608713.db2.gz RTVOXEQWUTZNLR-UHFFFAOYSA-N -1 0 327.365 2.849 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)s1 ZINC000284308552 474616149 /nfs/dbraw/zinc/61/61/49/474616149.db2.gz YWPZRBOEAFRULM-UHFFFAOYSA-N -1 0 333.438 2.867 20 30 EFEDRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184839947 474617715 /nfs/dbraw/zinc/61/77/15/474617715.db2.gz JWNFMCILOHTAHC-UHFFFAOYSA-N -1 0 346.408 2.904 20 30 EFEDRM CC#CC[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000278355976 474620228 /nfs/dbraw/zinc/62/02/28/474620228.db2.gz XVTFQZROTHZJGJ-KRWDZBQOSA-N -1 0 328.412 2.517 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000184850019 474620921 /nfs/dbraw/zinc/62/09/21/474620921.db2.gz IAUAVDKZWLAWMU-UHFFFAOYSA-N -1 0 349.330 2.766 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n1 ZINC000278446702 474647141 /nfs/dbraw/zinc/64/71/41/474647141.db2.gz XBYWORKNAGCIED-UHFFFAOYSA-N -1 0 342.424 2.897 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000629086668 480120717 /nfs/dbraw/zinc/12/07/17/480120717.db2.gz QETBHAJOQYDGBQ-CHWSQXEVSA-N -1 0 334.470 2.965 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000629086671 480120963 /nfs/dbraw/zinc/12/09/63/480120963.db2.gz QETBHAJOQYDGBQ-QWHCGFSZSA-N -1 0 334.470 2.965 20 30 EFEDRM C=CCCCS(=O)(=O)N(C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC000291822475 474703873 /nfs/dbraw/zinc/70/38/73/474703873.db2.gz FFJRHWDOFWIIHU-ZDUSSCGKSA-N -1 0 331.821 2.694 20 30 EFEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340840472 474708476 /nfs/dbraw/zinc/70/84/76/474708476.db2.gz DUOYMBFZQBDUBG-UHFFFAOYSA-N -1 0 328.296 2.862 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)c1cc2ccccc2n1CC#N ZINC000609169594 480121995 /nfs/dbraw/zinc/12/19/95/480121995.db2.gz DQTDMYWGESFRLW-UHFFFAOYSA-N -1 0 347.300 2.889 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)o1 ZINC000344400026 474719583 /nfs/dbraw/zinc/71/95/83/474719583.db2.gz YPPHTINHFOBTEY-UHFFFAOYSA-N -1 0 330.287 2.649 20 30 EFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000337129794 474722534 /nfs/dbraw/zinc/72/25/34/474722534.db2.gz ISWPRISTRJNQGF-UHFFFAOYSA-N -1 0 332.429 2.894 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccc(F)cc2)o1 ZINC000291868430 474726652 /nfs/dbraw/zinc/72/66/52/474726652.db2.gz KXYJDPLXVYATJG-UHFFFAOYSA-N -1 0 325.365 2.507 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000337143448 474736290 /nfs/dbraw/zinc/73/62/90/474736290.db2.gz VLSSIYZRCJSSFZ-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000291892419 474738803 /nfs/dbraw/zinc/73/88/03/474738803.db2.gz OWYCVBWJPAYRON-UHFFFAOYSA-N -1 0 346.387 2.728 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc2c(s1)CN(C(C)C)CC2 ZINC000291915188 474748601 /nfs/dbraw/zinc/74/86/01/474748601.db2.gz TVHYGSSYTWPRAC-UHFFFAOYSA-N -1 0 329.491 2.618 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)OC)s1 ZINC000291946272 474766509 /nfs/dbraw/zinc/76/65/09/474766509.db2.gz ZADQRDUUNFOOPX-UHFFFAOYSA-N -1 0 330.431 2.515 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1C ZINC000344590767 474767615 /nfs/dbraw/zinc/76/76/15/474767615.db2.gz MQNDGMXQCNMQNB-NSHDSACASA-N -1 0 339.376 2.911 20 30 EFEDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000305845311 474797520 /nfs/dbraw/zinc/79/75/20/474797520.db2.gz IEUUKVISHMBHCG-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000344924409 474811210 /nfs/dbraw/zinc/81/12/10/474811210.db2.gz XOPQKEJXBVCJGQ-LBPRGKRZSA-N -1 0 328.397 2.759 20 30 EFEDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C#N)o3)c2C)o1 ZINC000340956556 474818063 /nfs/dbraw/zinc/81/80/63/474818063.db2.gz FEEXPMKFHLGNKJ-UHFFFAOYSA-N -1 0 332.341 2.552 20 30 EFEDRM C=C(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000344957711 474818766 /nfs/dbraw/zinc/81/87/66/474818766.db2.gz UPQXTOTZZKELGT-UHFFFAOYSA-N -1 0 334.347 2.828 20 30 EFEDRM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000340958702 474819312 /nfs/dbraw/zinc/81/93/12/474819312.db2.gz OURCXEJCIMRMBH-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268144888 474824940 /nfs/dbraw/zinc/82/49/40/474824940.db2.gz FYMUYZVTPZVWSO-JTQLQIEISA-N -1 0 340.351 2.729 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)o1 ZINC000340965755 474828343 /nfs/dbraw/zinc/82/83/43/474828343.db2.gz SMKVBQPHHQAGNS-UHFFFAOYSA-N -1 0 329.337 2.971 20 30 EFEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C(F)F ZINC000340971296 474833782 /nfs/dbraw/zinc/83/37/82/474833782.db2.gz WKIDNOIRCGNFOX-UHFFFAOYSA-N -1 0 344.343 2.742 20 30 EFEDRM CCC(CC)(CC(=O)Nc1cc(C#N)ccc1OCCOC)C(=O)[O-] ZINC000273382004 474870176 /nfs/dbraw/zinc/87/01/76/474870176.db2.gz XTQFKKUVFFCBDG-UHFFFAOYSA-N -1 0 348.399 2.803 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1ccc(Br)cc1F ZINC000315588614 474873777 /nfs/dbraw/zinc/87/37/77/474873777.db2.gz LWYYLBRXAYXWDK-UHFFFAOYSA-N -1 0 349.225 2.806 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cc(Br)cs1)C(=O)[O-] ZINC000316696778 474880973 /nfs/dbraw/zinc/88/09/73/474880973.db2.gz VJAMRBMJDPMZIP-JTQLQIEISA-N -1 0 347.234 2.729 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318669424 474891480 /nfs/dbraw/zinc/89/14/80/474891480.db2.gz JGEDTRZUCICJEL-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000318707077 474892459 /nfs/dbraw/zinc/89/24/59/474892459.db2.gz PPZMVMVOTDEOPO-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC000339075087 474904528 /nfs/dbraw/zinc/90/45/28/474904528.db2.gz MGXFKNIJQWVVQP-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1 ZINC000285202515 474927412 /nfs/dbraw/zinc/92/74/12/474927412.db2.gz LLYXLFGKQMTMRM-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM CCOc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1OCC ZINC000345157022 474945628 /nfs/dbraw/zinc/94/56/28/474945628.db2.gz GATHROUZTCGHJS-UHFFFAOYSA-N -1 0 342.399 2.807 20 30 EFEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000293444845 474983740 /nfs/dbraw/zinc/98/37/40/474983740.db2.gz XCZDLGSKCSXLBW-QWHCGFSZSA-N -1 0 349.456 2.971 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cnn(CC(F)F)c1)CC2 ZINC000292403971 475009749 /nfs/dbraw/zinc/00/97/49/475009749.db2.gz XQLZIYLMXLMAJV-ONNFQVAWSA-N -1 0 336.294 2.960 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326982424 475013942 /nfs/dbraw/zinc/01/39/42/475013942.db2.gz VGADBWHSIRHQPG-ZDUSSCGKSA-N -1 0 338.363 2.981 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000327145295 475017767 /nfs/dbraw/zinc/01/77/67/475017767.db2.gz WSAYJSWXGQAJNP-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000327513373 475021842 /nfs/dbraw/zinc/02/18/42/475021842.db2.gz HBRQNCLQHSVXKI-UHFFFAOYSA-N -1 0 338.363 2.938 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000280546736 475033349 /nfs/dbraw/zinc/03/33/49/475033349.db2.gz IPIIWDAUOWVUJM-LBPRGKRZSA-N -1 0 335.429 2.856 20 30 EFEDRM CC(C)[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nncn1C ZINC000285685572 475037068 /nfs/dbraw/zinc/03/70/68/475037068.db2.gz ZHTFYPIKELHCLC-RVWHDZECSA-N -1 0 337.767 2.899 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NOC[C@H](C)CC)cc2[n-]c1=S ZINC000293581439 475041485 /nfs/dbraw/zinc/04/14/85/475041485.db2.gz AYPFISAXUHDCDU-LLVKDONJSA-N -1 0 347.440 2.579 20 30 EFEDRM CCc1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1O ZINC000293648434 475046020 /nfs/dbraw/zinc/04/60/20/475046020.db2.gz GSTYDJWCIOTGIZ-MRXNPFEDSA-N -1 0 337.379 2.515 20 30 EFEDRM C=CCC(C)(C)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000293755228 475051277 /nfs/dbraw/zinc/05/12/77/475051277.db2.gz KWUZOIJMXMCPKI-UHFFFAOYSA-N -1 0 328.409 2.529 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(CC)C(=O)[O-])cc1OC ZINC000268904980 475062161 /nfs/dbraw/zinc/06/21/61/475062161.db2.gz XWKIWAXJWOZTEV-LNENJAERSA-N -1 0 333.384 2.643 20 30 EFEDRM C#CCCCCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000286478479 475068387 /nfs/dbraw/zinc/06/83/87/475068387.db2.gz ADJDMOTVEGUAMT-UHFFFAOYSA-N -1 0 339.310 2.806 20 30 EFEDRM C=CCOc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000262178213 475192270 /nfs/dbraw/zinc/19/22/70/475192270.db2.gz FYIWQVIJASZIAY-UHFFFAOYSA-N -1 0 333.384 2.777 20 30 EFEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1NC(=O)N(C)C ZINC000352385129 475239988 /nfs/dbraw/zinc/23/99/88/475239988.db2.gz ZWZLDLFISTXMHJ-UHFFFAOYSA-N -1 0 338.367 2.918 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000352399546 475256736 /nfs/dbraw/zinc/25/67/36/475256736.db2.gz UGRQMDSYGBJGJJ-UHFFFAOYSA-N -1 0 329.312 2.538 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000337749412 475293652 /nfs/dbraw/zinc/29/36/52/475293652.db2.gz FEZLUJRTLMTJST-UHFFFAOYSA-N -1 0 348.403 2.951 20 30 EFEDRM COC1(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)CCCCC1 ZINC000331096912 475309813 /nfs/dbraw/zinc/30/98/13/475309813.db2.gz MLQQRANDJTXIMC-UHFFFAOYSA-N -1 0 326.466 2.933 20 30 EFEDRM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])N1CCCCC1=O ZINC000331224062 475324655 /nfs/dbraw/zinc/32/46/55/475324655.db2.gz CQYCQTCVQNLGCI-SECBINFHSA-N -1 0 328.771 2.890 20 30 EFEDRM CCOC(=O)c1[n-]c(=NC(=O)N2[C@H](C)CC[C@H]2C)sc1C(C)=O ZINC000331303663 475335495 /nfs/dbraw/zinc/33/54/95/475335495.db2.gz FPZHLEBYKISXCI-RKDXNWHRSA-N -1 0 339.417 2.941 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(F)c1 ZINC000339786781 475502464 /nfs/dbraw/zinc/50/24/64/475502464.db2.gz IPRDLQAZZSZNQV-UHFFFAOYSA-N -1 0 326.368 2.695 20 30 EFEDRM COCC[C@@H]1CCCCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC000332247394 475573429 /nfs/dbraw/zinc/57/34/29/475573429.db2.gz XJDQLKPPTPUTPO-LBPRGKRZSA-N -1 0 349.456 2.660 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC000339882042 475590032 /nfs/dbraw/zinc/59/00/32/475590032.db2.gz XLLYHVGLQWVTBL-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1OC ZINC000346381062 475592425 /nfs/dbraw/zinc/59/24/25/475592425.db2.gz NUFHTOBUZJJZBV-CYBMUJFWSA-N -1 0 347.378 2.723 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(CCC)s2)cc1 ZINC000348386463 475633100 /nfs/dbraw/zinc/63/31/00/475633100.db2.gz VZGLWMMKVYTRCR-UHFFFAOYSA-N -1 0 332.429 2.799 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000339952273 475636407 /nfs/dbraw/zinc/63/64/07/475636407.db2.gz QIPAVVZUPICTCF-XIKOKIGWSA-N -1 0 342.374 2.919 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)c2cccc(-c3c(F)cccc3F)c2)[n-]1 ZINC000339956919 475641394 /nfs/dbraw/zinc/64/13/94/475641394.db2.gz CFWLEEAGLIZQIT-UHFFFAOYSA-N -1 0 338.317 2.911 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000332645319 475698677 /nfs/dbraw/zinc/69/86/77/475698677.db2.gz IPISVPGGVCXEGH-KPZWWZAWSA-N -1 0 342.374 2.919 20 30 EFEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc2ccccc2o1 ZINC000340037036 475703210 /nfs/dbraw/zinc/70/32/10/475703210.db2.gz GSORUSUMMHNSJX-CQSZACIVSA-N -1 0 343.346 2.958 20 30 EFEDRM N#CCCCNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000348813792 475868409 /nfs/dbraw/zinc/86/84/09/475868409.db2.gz URKHYHFENHXKIU-UHFFFAOYSA-N -1 0 339.783 2.845 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)nn1CCC#N ZINC000348865935 475875977 /nfs/dbraw/zinc/87/59/77/475875977.db2.gz KSFLKKDOMJIPIA-CYBMUJFWSA-N -1 0 332.429 2.651 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(NCCc3nc(=N)[n-]o3)c2c1 ZINC000338486888 475949168 /nfs/dbraw/zinc/94/91/68/475949168.db2.gz HHENBNNCRDXHAK-UHFFFAOYSA-N -1 0 328.763 2.518 20 30 EFEDRM COCc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000353416317 475950125 /nfs/dbraw/zinc/95/01/25/475950125.db2.gz MZPWHYFXEXPXSL-JTQLQIEISA-N -1 0 326.381 2.666 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000349371523 475954109 /nfs/dbraw/zinc/95/41/09/475954109.db2.gz CDDYPGVACKKCCK-UHFFFAOYSA-N -1 0 342.447 2.903 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000340351914 475971411 /nfs/dbraw/zinc/97/14/11/475971411.db2.gz YCQSYLMPZWTCDS-UHFFFAOYSA-N -1 0 344.392 2.504 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C)nc2c1 ZINC000362120275 476013764 /nfs/dbraw/zinc/01/37/64/476013764.db2.gz VVOAXQGUDMVDDU-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM N#Cc1ccnc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c1 ZINC000353503427 476027434 /nfs/dbraw/zinc/02/74/34/476027434.db2.gz UTIZAACNQKWQRN-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000338583240 476029134 /nfs/dbraw/zinc/02/91/34/476029134.db2.gz SYVDEOKGEFMQJH-AWEZNQCLSA-N -1 0 337.335 2.738 20 30 EFEDRM C[C@@H](NC(=O)N=c1nc2cc(Cl)ccn2[n-]1)c1ccc(C#N)cc1 ZINC000353522286 476044727 /nfs/dbraw/zinc/04/47/27/476044727.db2.gz MCCHNOXEEGZHJQ-SNVBAGLBSA-N -1 0 340.774 2.559 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000355834275 476063182 /nfs/dbraw/zinc/06/31/82/476063182.db2.gz BFVXEQOCSNHHHF-UHFFFAOYSA-N -1 0 346.746 2.982 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CC#N)C3CCCC3)n2)c1 ZINC000343503353 476079229 /nfs/dbraw/zinc/07/92/29/476079229.db2.gz NILMLOSOHDFSIS-UHFFFAOYSA-N -1 0 342.374 2.934 20 30 EFEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C)n2n1 ZINC000353563992 476082876 /nfs/dbraw/zinc/08/28/76/476082876.db2.gz NROWIXYNWFOFAV-GFCCVEGCSA-N -1 0 331.335 2.977 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000343567435 476087991 /nfs/dbraw/zinc/08/79/91/476087991.db2.gz HYWILFIOTIZFGG-UHFFFAOYSA-N -1 0 326.400 2.744 20 30 EFEDRM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nc2ccccc2o1 ZINC000353644943 476151133 /nfs/dbraw/zinc/15/11/33/476151133.db2.gz OEDZFGXCYBXYIK-AWEZNQCLSA-N -1 0 343.346 2.958 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC000336872796 476156083 /nfs/dbraw/zinc/15/60/83/476156083.db2.gz PVTHFZMHAUHAGM-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000336875576 476159795 /nfs/dbraw/zinc/15/97/95/476159795.db2.gz IWYZXYLEJRNIQR-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000336876769 476161437 /nfs/dbraw/zinc/16/14/37/476161437.db2.gz VCBXPRDSQMVNEQ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359108628 476194385 /nfs/dbraw/zinc/19/43/85/476194385.db2.gz TZXGOZWSHJWNBW-UHFFFAOYSA-N -1 0 337.426 2.777 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cccc(OCC(F)F)n2)nc(C)n1 ZINC000340748713 476249795 /nfs/dbraw/zinc/24/97/95/476249795.db2.gz GTRDOBKKXUKIOE-LLVKDONJSA-N -1 0 332.310 2.622 20 30 EFEDRM Cc1nc(SCC(=O)NC(C)(C)CCC(=O)[O-])c(C#N)c(C)c1C ZINC000362473082 476272145 /nfs/dbraw/zinc/27/21/45/476272145.db2.gz LMXWGWNTAZHRRN-UHFFFAOYSA-N -1 0 349.456 2.730 20 30 EFEDRM COc1ccc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000353795723 476276418 /nfs/dbraw/zinc/27/64/18/476276418.db2.gz FLSYMSFRGBUMJM-SNVBAGLBSA-N -1 0 343.408 2.880 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350638569 476276923 /nfs/dbraw/zinc/27/69/23/476276923.db2.gz MTEQLTAUTVLVQM-CYBMUJFWSA-N -1 0 346.456 2.930 20 30 EFEDRM CCOc1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000353799479 476278366 /nfs/dbraw/zinc/27/83/66/476278366.db2.gz DFVONJKTAGCYHR-UHFFFAOYSA-N -1 0 343.408 2.709 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)n1 ZINC000360338957 476299585 /nfs/dbraw/zinc/29/95/85/476299585.db2.gz WJQJFQJZDNXLQO-LBPRGKRZSA-N -1 0 332.429 2.908 20 30 EFEDRM CCCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1-c1ccccc1C ZINC000357238078 476299999 /nfs/dbraw/zinc/29/99/99/476299999.db2.gz FNGRCANAZBKUSW-UHFFFAOYSA-N -1 0 348.410 2.711 20 30 EFEDRM C=CCNS(=O)(=O)c1cc(-c2nc(-c3ccoc3)no2)ccc1F ZINC000350843884 476305813 /nfs/dbraw/zinc/30/58/13/476305813.db2.gz VCJOMFOVKWSMJZ-UHFFFAOYSA-N -1 0 349.343 2.600 20 30 EFEDRM COc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)ccc1OC1CCCC1 ZINC000357259364 476307578 /nfs/dbraw/zinc/30/75/78/476307578.db2.gz PCKXMNBOWUCPIK-UHFFFAOYSA-N -1 0 340.383 2.594 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(C#N)c1 ZINC000360581437 476308457 /nfs/dbraw/zinc/30/84/57/476308457.db2.gz KVEFFCQJQJNULA-LLVKDONJSA-N -1 0 333.351 2.791 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc3ccccc3n2CC(F)(F)F)c1C#N ZINC000357266770 476309321 /nfs/dbraw/zinc/30/93/21/476309321.db2.gz YWCSWPHOVSZMCP-UHFFFAOYSA-N -1 0 347.300 2.781 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1Cl ZINC000357339424 476337468 /nfs/dbraw/zinc/33/74/68/476337468.db2.gz GZLCOPLSSOYHDH-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c1 ZINC000357341608 476338656 /nfs/dbraw/zinc/33/86/56/476338656.db2.gz KRYNKPVHBFFXJE-UHFFFAOYSA-N -1 0 348.771 2.594 20 30 EFEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000357343066 476338952 /nfs/dbraw/zinc/33/89/52/476338952.db2.gz MWVPUOBJROLXGG-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000357389437 476353825 /nfs/dbraw/zinc/35/38/25/476353825.db2.gz DPHBJZXDEXOWTR-UHFFFAOYSA-N -1 0 349.322 2.568 20 30 EFEDRM COc1ccc2c(c1)O/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000368544043 476355883 /nfs/dbraw/zinc/35/58/83/476355883.db2.gz ORQIBGGNCSYQHC-PXNMLYILSA-N -1 0 326.304 2.775 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)c1 ZINC000357398748 476359315 /nfs/dbraw/zinc/35/93/15/476359315.db2.gz HZZXTPMSTYWHKL-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 ZINC000377455396 476404602 /nfs/dbraw/zinc/40/46/02/476404602.db2.gz KTJDFRLTLVACHE-WQLSENKSSA-N -1 0 328.295 2.948 20 30 EFEDRM COc1cc(CN=c2[n-]c(Cc3ccc(F)cc3)no2)ccc1C#N ZINC000357607128 476485806 /nfs/dbraw/zinc/48/58/06/476485806.db2.gz DPCHITWCIKVJJF-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM Cc1n[n-]c(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000363274166 476635656 /nfs/dbraw/zinc/63/56/56/476635656.db2.gz JFGNRIYRMPCTEV-UONOGXRCSA-N -1 0 327.413 2.572 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)nc2)sc1SCC#N ZINC000430068876 476748405 /nfs/dbraw/zinc/74/84/05/476748405.db2.gz XEJMNZSSHMJAKX-UHFFFAOYSA-N -1 0 340.455 2.571 20 30 EFEDRM COC(=O)c1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430638729 476887766 /nfs/dbraw/zinc/88/77/66/476887766.db2.gz GHURSDHRTBMSBO-SECBINFHSA-N -1 0 344.396 2.507 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)n[nH]2)o1 ZINC000446640032 476899361 /nfs/dbraw/zinc/89/93/61/476899361.db2.gz YFPICCYDJUMYFE-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)ccc1C#N ZINC000446823209 476923439 /nfs/dbraw/zinc/92/34/39/476923439.db2.gz JVNJLUKAUSKYSL-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000447160499 476958657 /nfs/dbraw/zinc/95/86/57/476958657.db2.gz ZHRBLDRXSVXTMT-CQSZACIVSA-N -1 0 335.425 2.603 20 30 EFEDRM CC(C)Oc1ccc(=NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[n-]n1 ZINC000410795458 477059418 /nfs/dbraw/zinc/05/94/18/477059418.db2.gz XCEXYPVNAOQESD-UHFFFAOYSA-N -1 0 338.411 2.765 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)C(C)(C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000410835010 477066343 /nfs/dbraw/zinc/06/63/43/477066343.db2.gz MHAVHAKXSVMTPX-NSHDSACASA-N -1 0 344.440 2.746 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c1C#N ZINC000431677214 477073006 /nfs/dbraw/zinc/07/30/06/477073006.db2.gz CJYSRJNFAOKVAJ-RYUDHWBXSA-N -1 0 345.200 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)c1C#N ZINC000431680141 477073115 /nfs/dbraw/zinc/07/31/15/477073115.db2.gz GKWVCGJSVNHCFJ-UHFFFAOYSA-N -1 0 331.379 2.998 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C#N ZINC000431692205 477077651 /nfs/dbraw/zinc/07/76/51/477077651.db2.gz PLRXXOGDDAYOEK-UHFFFAOYSA-N -1 0 327.731 2.572 20 30 EFEDRM C=CCCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000448182069 477142502 /nfs/dbraw/zinc/14/25/02/477142502.db2.gz WVZLUQUTCQMZLG-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N=c3ccc(C4CC4)n[n-]3)on2)c1 ZINC000448349712 477163674 /nfs/dbraw/zinc/16/36/74/477163674.db2.gz APLZDNWRHCJQGQ-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NCc2ccc(C#N)c(F)c2)s[n-]1 ZINC000454713709 477340135 /nfs/dbraw/zinc/34/01/35/477340135.db2.gz UDWDLZYLEMTICE-UHFFFAOYSA-N -1 0 333.392 2.590 20 30 EFEDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435722981 477358275 /nfs/dbraw/zinc/35/82/75/477358275.db2.gz MQQPICLFZNXAPZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cnn1CC(C)C ZINC000435735434 477361463 /nfs/dbraw/zinc/36/14/63/477361463.db2.gz MVAMTESVGUBYFM-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)ccc1C#N ZINC000435757172 477365032 /nfs/dbraw/zinc/36/50/32/477365032.db2.gz YHOJFHDHBAIJOE-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000416934025 477376072 /nfs/dbraw/zinc/37/60/72/477376072.db2.gz CKKWAVJPCXILDV-ZDUSSCGKSA-N -1 0 334.401 2.904 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OC[C@H]1CCCO1 ZINC000416933345 477376438 /nfs/dbraw/zinc/37/64/38/477376438.db2.gz ARHMZFHKKQFRQT-ZIAGYGMSSA-N -1 0 338.429 2.597 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000416933061 477376499 /nfs/dbraw/zinc/37/64/99/477376499.db2.gz ADSSGMYCGJXFIN-BBRMVZONSA-N -1 0 349.456 2.745 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000416937050 477378165 /nfs/dbraw/zinc/37/81/65/477378165.db2.gz IMUNVSXCSDPFST-CQSZACIVSA-N -1 0 337.445 2.649 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2sc(C)nc2cc1OC ZINC000416939125 477378608 /nfs/dbraw/zinc/37/86/08/477378608.db2.gz MINKGJFZCNNLDH-VIFPVBQESA-N -1 0 325.415 2.657 20 30 EFEDRM CCCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1ccccc1 ZINC000416942551 477380446 /nfs/dbraw/zinc/38/04/46/477380446.db2.gz BGOCGSGBHJPKNO-AWEZNQCLSA-N -1 0 332.429 2.869 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@@H](C)COC ZINC000416951062 477383728 /nfs/dbraw/zinc/38/37/28/477383728.db2.gz FTEKFHSXDVJUHB-JQWIXIFHSA-N -1 0 346.836 2.798 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1nn(-c2ccc(Cl)cc2)cc1C ZINC000416955389 477385741 /nfs/dbraw/zinc/38/57/41/477385741.db2.gz JCMYLNGPXMKTGG-ZDUSSCGKSA-N -1 0 338.820 2.878 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCCc2ccccc2)nc1 ZINC000416965820 477391449 /nfs/dbraw/zinc/39/14/49/477391449.db2.gz XVLFIACTBWCRSA-MRXNPFEDSA-N -1 0 345.424 2.747 20 30 EFEDRM CCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1ccccc1C ZINC000416969028 477394496 /nfs/dbraw/zinc/39/44/96/477394496.db2.gz ZVEJFNGVWFXICP-CYBMUJFWSA-N -1 0 332.429 2.787 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000436258009 477451226 /nfs/dbraw/zinc/45/12/26/477451226.db2.gz AIMQARLIXLCECB-OLZOCXBDSA-N -1 0 338.477 2.966 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000436611441 477533151 /nfs/dbraw/zinc/53/31/51/477533151.db2.gz WHGDWDVUSZTIJJ-UHFFFAOYSA-N -1 0 344.392 2.852 20 30 EFEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856934 477615646 /nfs/dbraw/zinc/61/56/46/477615646.db2.gz ZXTSSFWMTSKMBL-HQJQHLMTSA-N -1 0 327.153 2.716 20 30 EFEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000436881384 477623797 /nfs/dbraw/zinc/62/37/97/477623797.db2.gz NMOIBEOPYKQLFS-INIZCTEOSA-N -1 0 333.347 2.787 20 30 EFEDRM CC(=Cc1ccc(O)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000436966674 477653006 /nfs/dbraw/zinc/65/30/06/477653006.db2.gz MKZGYEURWAYEEM-VMPITWQZSA-N -1 0 346.184 2.979 20 30 EFEDRM C=CCOc1ccc(CNCc2nc(C(=O)[O-])cs2)cc1OC ZINC000426664847 477735890 /nfs/dbraw/zinc/73/58/90/477735890.db2.gz HTWFHNIGTBRLBY-UHFFFAOYSA-N -1 0 334.397 2.705 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](N=c3[n-]nc(C(F)F)o3)C2)c(F)c1 ZINC000367911561 477750487 /nfs/dbraw/zinc/75/04/87/477750487.db2.gz PIYYASCVIHRBAU-JTQLQIEISA-N -1 0 337.305 2.521 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427258313 477771739 /nfs/dbraw/zinc/77/17/39/477771739.db2.gz SEAADPPRNRAUHY-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)c1C ZINC000450968115 477778470 /nfs/dbraw/zinc/77/84/70/477778470.db2.gz JLMKUERRDFHICI-UHFFFAOYSA-N -1 0 338.820 2.557 20 30 EFEDRM C[C@H](NC(=O)c1cccc(CC#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455907183 477781251 /nfs/dbraw/zinc/78/12/51/477781251.db2.gz AFWYBIVJDBWHKY-KSSFIOAISA-N -1 0 336.391 2.814 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000455923502 477785505 /nfs/dbraw/zinc/78/55/05/477785505.db2.gz YGQIDKGCBJBQBK-KRWDZBQOSA-N -1 0 347.411 2.784 20 30 EFEDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451085330 477816039 /nfs/dbraw/zinc/81/60/39/477816039.db2.gz KWZZZYKATPXURR-UHFFFAOYSA-N -1 0 348.428 2.578 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1noc(Cc2ccc(F)c(F)c2)n1 ZINC000451086756 477816287 /nfs/dbraw/zinc/81/62/87/477816287.db2.gz GYXYTBBQYQHIQR-UHFFFAOYSA-N -1 0 343.355 2.647 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451091198 477818962 /nfs/dbraw/zinc/81/89/62/477818962.db2.gz VTMKQQOHFQFPOU-UHFFFAOYSA-N -1 0 334.401 2.568 20 30 EFEDRM Cc1c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cnn1C ZINC000451092942 477819019 /nfs/dbraw/zinc/81/90/19/477819019.db2.gz ZEFPXWKGTHZOJI-UHFFFAOYSA-N -1 0 348.428 2.578 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)nc1 ZINC000451096994 477821501 /nfs/dbraw/zinc/82/15/01/477821501.db2.gz CZUYXPVXWGWPSG-UHFFFAOYSA-N -1 0 330.413 2.800 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC000515534372 477838216 /nfs/dbraw/zinc/83/82/16/477838216.db2.gz UKIQZUSZDDKQCG-GFCCVEGCSA-N -1 0 328.315 2.871 20 30 EFEDRM C=CCOC[C@H](NC(=O)NCc1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000515786899 477861052 /nfs/dbraw/zinc/86/10/52/477861052.db2.gz GDVLFHVSBQLUJN-KRWDZBQOSA-N -1 0 348.443 2.684 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n(CCC#N)n1 ZINC000530387525 477881938 /nfs/dbraw/zinc/88/19/38/477881938.db2.gz JWVDGTGBWSFHID-UHFFFAOYSA-N -1 0 344.849 2.929 20 30 EFEDRM Cc1cc(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[n-]nc1C ZINC000531813695 477911961 /nfs/dbraw/zinc/91/19/61/477911961.db2.gz QQOSWXDPYGDNES-DLBZAZTESA-N -1 0 335.411 2.819 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000439244218 477948908 /nfs/dbraw/zinc/94/89/08/477948908.db2.gz GZKOXQGKQPNYJZ-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM Cc1ccc(F)c(NS(=O)(=O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC000532648211 477963440 /nfs/dbraw/zinc/96/34/40/477963440.db2.gz WTCKTHMDSSZEBX-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C)OC ZINC000421138463 477977350 /nfs/dbraw/zinc/97/73/50/477977350.db2.gz BCUPSRZPKYPAMG-ZDUSSCGKSA-N -1 0 326.418 2.512 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000559354283 477978844 /nfs/dbraw/zinc/97/88/44/477978844.db2.gz QCRBQHPNWZQMBM-GUYCJALGSA-N -1 0 342.395 2.856 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421158181 477987563 /nfs/dbraw/zinc/98/75/63/477987563.db2.gz UBWQFAQXRNJVOD-CQSZACIVSA-N -1 0 340.445 2.760 20 30 EFEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000559797446 478001092 /nfs/dbraw/zinc/00/10/92/478001092.db2.gz CYNQIFPRIOLMHS-LLVKDONJSA-N -1 0 344.458 2.569 20 30 EFEDRM C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C#N)cc1 ZINC000471970618 478012961 /nfs/dbraw/zinc/01/29/61/478012961.db2.gz YUQXNEMQCSOYOV-SECBINFHSA-N -1 0 335.289 2.672 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000475810394 478018392 /nfs/dbraw/zinc/01/83/92/478018392.db2.gz OYMXGGHPHNLVFX-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)CCC2C[C@@H](C)C[C@H](C)C2)s1 ZINC000479031321 478023228 /nfs/dbraw/zinc/02/32/28/478023228.db2.gz LYPKJDLEULBLEF-RYUDHWBXSA-N -1 0 343.518 2.794 20 30 EFEDRM C=CCN=c1[n-]nc(SCCC(=O)Nc2ccccc2C)s1 ZINC000487206818 478033802 /nfs/dbraw/zinc/03/38/02/478033802.db2.gz DTDQVAQJYXDPKY-UHFFFAOYSA-N -1 0 334.470 2.987 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2c1cccc2C)C(=O)[O-] ZINC000560488137 478094877 /nfs/dbraw/zinc/09/48/77/478094877.db2.gz RZBOCUCPICMTNL-OAHLLOKOSA-N -1 0 329.400 2.737 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nc2ccccc2o1 ZINC000533867720 478117461 /nfs/dbraw/zinc/11/74/61/478117461.db2.gz CFZUGTJYVZQOIB-OAHLLOKOSA-N -1 0 348.362 2.549 20 30 EFEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nnc2n1CCCCC2 ZINC000517958096 478136554 /nfs/dbraw/zinc/13/65/54/478136554.db2.gz ZCYZNEYABKMOJQ-LLVKDONJSA-N -1 0 327.413 2.828 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])c(C)c3)nc1-2 ZINC000429597243 478161604 /nfs/dbraw/zinc/16/16/04/478161604.db2.gz KEPFARVBLYLENI-GFCCVEGCSA-N -1 0 335.323 2.973 20 30 EFEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429590666 478161666 /nfs/dbraw/zinc/16/16/66/478161666.db2.gz PKXOSKXHIKTTLV-ZDUSSCGKSA-N -1 0 334.335 2.543 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1 ZINC000429726094 478181923 /nfs/dbraw/zinc/18/19/23/478181923.db2.gz QDXMDKBYNBOAHX-SECBINFHSA-N -1 0 331.378 2.743 20 30 EFEDRM C=C(CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000488901543 478198017 /nfs/dbraw/zinc/19/80/17/478198017.db2.gz OVQBLIODRZSSNG-UHFFFAOYSA-N -1 0 333.391 2.917 20 30 EFEDRM COC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000495475110 478205005 /nfs/dbraw/zinc/20/50/05/478205005.db2.gz WBNXGFYQMZKWLM-BHHOVCGDSA-N -1 0 335.360 2.586 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@](C)(C=NN=c2ccc(Cl)n[n-]2)C1 ZINC000495567316 478232075 /nfs/dbraw/zinc/23/20/75/478232075.db2.gz UVCMCCBDPUQKMQ-OAHLLOKOSA-N -1 0 339.827 2.597 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@](C)(C=NN=c2ccc(Cl)n[n-]2)C1 ZINC000495567315 478232199 /nfs/dbraw/zinc/23/21/99/478232199.db2.gz UVCMCCBDPUQKMQ-HNNXBMFYSA-N -1 0 339.827 2.597 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC000562431810 478248129 /nfs/dbraw/zinc/24/81/29/478248129.db2.gz UQUVHAXBNOCTBF-HZPDHXFCSA-N -1 0 346.427 2.754 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000562458876 478252777 /nfs/dbraw/zinc/25/27/77/478252777.db2.gz HMGRGBAYGVBFCS-WBMJQRKESA-N -1 0 332.400 2.791 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)ccc1C#N ZINC000562487503 478255810 /nfs/dbraw/zinc/25/58/10/478255810.db2.gz APKPXXMWTYTJCA-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2ccc(C(=O)[O-])cn2)CCC1 ZINC000495652409 478256408 /nfs/dbraw/zinc/25/64/08/478256408.db2.gz PIXJVUXVHQPETO-UHFFFAOYSA-N -1 0 348.403 2.873 20 30 EFEDRM C=CCn1c(SCc2nnn[n-]2)nnc1-c1cccc(Cl)c1 ZINC000489647082 478262027 /nfs/dbraw/zinc/26/20/27/478262027.db2.gz CBHBFGCKNBJWQZ-UHFFFAOYSA-N -1 0 333.808 2.590 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000562649232 478296998 /nfs/dbraw/zinc/29/69/98/478296998.db2.gz AJDJNJPKTBPDJX-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000579959136 478350967 /nfs/dbraw/zinc/35/09/67/478350967.db2.gz GJBDGRKPGQVPDY-UHFFFAOYSA-N -1 0 349.330 2.743 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)[n-]1 ZINC000590819292 478355306 /nfs/dbraw/zinc/35/53/06/478355306.db2.gz FHPFCLYSOTWSJX-WBVHZDCISA-N -1 0 337.427 2.809 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000495839256 478356130 /nfs/dbraw/zinc/35/61/30/478356130.db2.gz FWOKGZIONGROBN-OLZOCXBDSA-N -1 0 349.435 2.924 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000495839258 478356293 /nfs/dbraw/zinc/35/62/93/478356293.db2.gz FWOKGZIONGROBN-QWHCGFSZSA-N -1 0 349.435 2.924 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000580409748 478361423 /nfs/dbraw/zinc/36/14/23/478361423.db2.gz LANOYYLKVLYCBS-CVEARBPZSA-N -1 0 348.399 2.785 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3n[nH]c(=O)n3c2)s1 ZINC000580509109 478363456 /nfs/dbraw/zinc/36/34/56/478363456.db2.gz MIMKMZNJIBCPCA-JTQLQIEISA-N -1 0 341.396 2.679 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000521067916 478367993 /nfs/dbraw/zinc/36/79/93/478367993.db2.gz FQPCBUWTBIMVTH-LLVKDONJSA-N -1 0 327.302 2.674 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000490687326 478369903 /nfs/dbraw/zinc/36/99/03/478369903.db2.gz GVXPBHQRRXLBFR-CQSZACIVSA-N -1 0 343.383 2.635 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000581128760 478375164 /nfs/dbraw/zinc/37/51/64/478375164.db2.gz AXSCJYQTBNIUDG-UHFFFAOYSA-N -1 0 338.429 2.537 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000581235382 478376406 /nfs/dbraw/zinc/37/64/06/478376406.db2.gz JXRBVPHYWKSAFP-ULQDDVLXSA-N -1 0 346.427 2.873 20 30 EFEDRM COc1ccc(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000562911299 478378062 /nfs/dbraw/zinc/37/80/62/478378062.db2.gz MAVZFOWBRVMQJG-LLVKDONJSA-N -1 0 332.157 2.738 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000581473259 478378828 /nfs/dbraw/zinc/37/88/28/478378828.db2.gz XAGSXUISLYBDFL-HYVNUMGLSA-N -1 0 346.427 2.653 20 30 EFEDRM CC(C)(C)OC(=O)NCC(C)(C)C=NN=c1ccc(Cl)n[n-]1 ZINC000495919526 478409699 /nfs/dbraw/zinc/40/96/99/478409699.db2.gz DCYCHCNSSIUGBC-UHFFFAOYSA-N -1 0 327.816 2.501 20 30 EFEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1 ZINC000495922291 478412011 /nfs/dbraw/zinc/41/20/11/478412011.db2.gz ORSXWXTVDGELCH-SNVBAGLBSA-N -1 0 336.392 2.871 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2ncn(Cc3ccccc3)[n-]2)cc1 ZINC000527235867 478418585 /nfs/dbraw/zinc/41/85/85/478418585.db2.gz KERLFKFBCZSKFX-UHFFFAOYSA-N -1 0 345.406 2.802 20 30 EFEDRM C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594538306 478429534 /nfs/dbraw/zinc/42/95/34/478429534.db2.gz ORUFBZZMKLXCEA-XFBWCDHKSA-N -1 0 341.411 2.719 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](CC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570887140 478467432 /nfs/dbraw/zinc/46/74/32/478467432.db2.gz YUORMQSFZXMTLQ-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000540211093 478467803 /nfs/dbraw/zinc/46/78/03/478467803.db2.gz LTRQSUMNJPEXMV-UHFFFAOYSA-N -1 0 336.376 2.653 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597695777 478468666 /nfs/dbraw/zinc/46/86/66/478468666.db2.gz YVGORHITVNZBTM-UHFFFAOYSA-N -1 0 332.791 2.853 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000570923440 478481073 /nfs/dbraw/zinc/48/10/73/478481073.db2.gz VKULRWORRQYOCI-HOTGVXAUSA-N -1 0 348.399 2.785 20 30 EFEDRM CC(C)(c1n[n-]c(=NC(=O)NCC2(C#N)CC2)s1)c1ccccc1 ZINC000581980277 478481300 /nfs/dbraw/zinc/48/13/00/478481300.db2.gz BZSMNQXOIDNBOW-UHFFFAOYSA-N -1 0 341.440 2.711 20 30 EFEDRM CCCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1C1CCCC1 ZINC000582022093 478492576 /nfs/dbraw/zinc/49/25/76/478492576.db2.gz CDHGAYLXXOAOLB-UHFFFAOYSA-N -1 0 326.404 2.528 20 30 EFEDRM CC(C)(CC#N)CNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597763089 478495961 /nfs/dbraw/zinc/49/59/61/478495961.db2.gz MWMRSZZYZCVILN-UHFFFAOYSA-N -1 0 334.326 2.526 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000594691195 478496280 /nfs/dbraw/zinc/49/62/80/478496280.db2.gz RHXGUOAYTVLNGS-UHFFFAOYSA-N -1 0 329.400 2.530 20 30 EFEDRM N#CC1(CNC(=O)N[C@H](C(=O)[O-])c2ccccc2F)CCCCC1 ZINC000594691498 478496320 /nfs/dbraw/zinc/49/63/20/478496320.db2.gz UWGKPBNQGMHBLF-AWEZNQCLSA-N -1 0 333.363 2.725 20 30 EFEDRM COc1ccc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1 ZINC000594690139 478496935 /nfs/dbraw/zinc/49/69/35/478496935.db2.gz FUVCCHYUNGOUBL-HNNXBMFYSA-N -1 0 345.399 2.594 20 30 EFEDRM CC(=Cc1ccc(O[C@H]2CCOC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594697534 478500779 /nfs/dbraw/zinc/50/07/79/478500779.db2.gz XRAFFLHTAFOQFI-YHVDPYDOSA-N -1 0 337.379 2.678 20 30 EFEDRM C#CCN(C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1)C1CC1 ZINC000491337930 478515654 /nfs/dbraw/zinc/51/56/54/478515654.db2.gz DTNRHBWADKTFAT-UHFFFAOYSA-N -1 0 330.388 2.704 20 30 EFEDRM N#Cc1c[n-]c(=O)n(CCCCc2ccc(Cl)c(Cl)c2)c1=O ZINC000571083800 478519603 /nfs/dbraw/zinc/51/96/03/478519603.db2.gz UYPKNDWZJSGXTK-UHFFFAOYSA-N -1 0 338.194 2.738 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)[n-]1 ZINC000591338102 478527389 /nfs/dbraw/zinc/52/73/89/478527389.db2.gz GBFORBCPZOIOQV-DOMZBBRYSA-N -1 0 343.818 2.825 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000594756081 478531675 /nfs/dbraw/zinc/53/16/75/478531675.db2.gz BHKFWZKETLVTMJ-JKSUJKDBSA-N -1 0 342.420 2.853 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600878544 478549336 /nfs/dbraw/zinc/54/93/36/478549336.db2.gz XPABHVSMVFRUHL-CJNGLKHVSA-N -1 0 344.411 2.723 20 30 EFEDRM N#CC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCCC1 ZINC000600877088 478549460 /nfs/dbraw/zinc/54/94/60/478549460.db2.gz YIHZIGYIAIZUSR-UHFFFAOYSA-N -1 0 333.413 2.631 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)C=Cc2ccc(OCC#N)cc2)s[n-]1 ZINC000491479587 478560846 /nfs/dbraw/zinc/56/08/46/478560846.db2.gz RIEWRCODWQBWPZ-TWGQIWQCSA-N -1 0 342.424 2.812 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)nc2n1CCS2 ZINC000571313304 478568985 /nfs/dbraw/zinc/56/89/85/478568985.db2.gz LJMAQNURKGNGBX-UHFFFAOYSA-N -1 0 346.437 2.539 20 30 EFEDRM C=CC[C@]1(C(=O)[N-]OCC(F)F)CCCN1C(=O)OC(C)(C)C ZINC000496186737 478595693 /nfs/dbraw/zinc/59/56/93/478595693.db2.gz OEPDLZBPCXCFDM-OAHLLOKOSA-N -1 0 334.363 2.645 20 30 EFEDRM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000591688977 478606844 /nfs/dbraw/zinc/60/68/44/478606844.db2.gz SEZIVIIRYAWCRH-HNNXBMFYSA-N -1 0 342.317 2.643 20 30 EFEDRM CCC(CC)(CNC(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000591691979 478607850 /nfs/dbraw/zinc/60/78/50/478607850.db2.gz BLANBZJWUPQIOF-UHFFFAOYSA-N -1 0 337.807 2.902 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000491634881 478608869 /nfs/dbraw/zinc/60/88/69/478608869.db2.gz RDLZLZMYQUUVBK-TZMCWYRMSA-N -1 0 328.441 2.987 20 30 EFEDRM CCc1nc2cc(S(=O)(=O)[N-]c3cc(CC#N)ccn3)ccc2o1 ZINC000541999028 478623173 /nfs/dbraw/zinc/62/31/73/478623173.db2.gz RQISNUIVBZWRGM-UHFFFAOYSA-N -1 0 342.380 2.652 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582583707 478633319 /nfs/dbraw/zinc/63/33/19/478633319.db2.gz GUKKDUGPQORUBA-TZMCWYRMSA-N -1 0 346.383 2.757 20 30 EFEDRM COCCN=c1[n-]nc(S[C@@H](C#N)CCc2ccccc2)s1 ZINC000601070795 478641485 /nfs/dbraw/zinc/64/14/85/478641485.db2.gz SEYDCOQXIPFQBA-CYBMUJFWSA-N -1 0 334.470 2.635 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(S[C@@H](C#N)C3CC3)s2)cc1 ZINC000601074387 478643105 /nfs/dbraw/zinc/64/31/05/478643105.db2.gz QHFVWIPEYZKXFI-ZDUSSCGKSA-N -1 0 332.454 2.975 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)CC1CC1 ZINC000496290954 478644630 /nfs/dbraw/zinc/64/46/30/478644630.db2.gz HSTARIRCBMIFOF-CYBMUJFWSA-N -1 0 348.403 2.871 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=NNCC(=O)[O-] ZINC000496291708 478644921 /nfs/dbraw/zinc/64/49/21/478644921.db2.gz GTGKWMWZAWWMSU-TZMCWYRMSA-N -1 0 339.436 2.606 20 30 EFEDRM C=CCO[N-]C(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000496309162 478646403 /nfs/dbraw/zinc/64/64/03/478646403.db2.gz OPCGDIZOOMJKPM-UHFFFAOYSA-N -1 0 349.387 2.514 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC(=NN=c2ccc(Cl)n[n-]2)C1 ZINC000496341212 478648865 /nfs/dbraw/zinc/64/88/65/478648865.db2.gz JKWDTFNXULSNHF-SNVBAGLBSA-N -1 0 339.827 2.787 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=NNCC(=O)[O-] ZINC000496425745 478657476 /nfs/dbraw/zinc/65/74/76/478657476.db2.gz SIPQCFVBRKXPRV-GXTWGEPZSA-N -1 0 339.436 2.606 20 30 EFEDRM C#C[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(Cl)cc1 ZINC000491746136 478660502 /nfs/dbraw/zinc/66/05/02/478660502.db2.gz QEPGZQYWQVCKMI-ZDUSSCGKSA-N -1 0 331.807 2.604 20 30 EFEDRM Cc1cc([C@@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])ccc1F ZINC000582702995 478663340 /nfs/dbraw/zinc/66/33/40/478663340.db2.gz CDGABOPEQIPXCX-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM Cc1cc([C@H](NC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])ccc1F ZINC000582702994 478663539 /nfs/dbraw/zinc/66/35/39/478663539.db2.gz CDGABOPEQIPXCX-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000582710224 478664200 /nfs/dbraw/zinc/66/42/00/478664200.db2.gz ISEOPSSWNAFFSU-INIZCTEOSA-N -1 0 334.416 2.735 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1C#N ZINC000496505538 478665033 /nfs/dbraw/zinc/66/50/33/478665033.db2.gz PWBTUXKMSJYEME-UHFFFAOYSA-N -1 0 347.371 2.956 20 30 EFEDRM C=CC[C@H]1N(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCCC1(C)C ZINC000571762428 478673359 /nfs/dbraw/zinc/67/33/59/478673359.db2.gz IRLWZPXULACWLP-OAHLLOKOSA-N -1 0 344.411 2.917 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000496605995 478674012 /nfs/dbraw/zinc/67/40/12/478674012.db2.gz JEMYFHQNKXVNMX-OAHLLOKOSA-N -1 0 334.416 2.919 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496607199 478674452 /nfs/dbraw/zinc/67/44/52/478674452.db2.gz PXLOBGUOXIULDA-LBPRGKRZSA-N -1 0 344.477 2.741 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000571775336 478676556 /nfs/dbraw/zinc/67/65/56/478676556.db2.gz UCBQXFGLSAIWMP-QGZVFWFLSA-N -1 0 330.388 2.653 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1 ZINC000496712106 478685339 /nfs/dbraw/zinc/68/53/39/478685339.db2.gz IPNNEHXSTQONAY-NSHDSACASA-N -1 0 334.376 2.625 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CN=Nc1ccc(C(=O)[O-])nc1)CC1CC1 ZINC000496857017 478701131 /nfs/dbraw/zinc/70/11/31/478701131.db2.gz LVBHIDVHFZBQOM-ZDUSSCGKSA-N -1 0 348.403 2.871 20 30 EFEDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1 ZINC000542860588 478702363 /nfs/dbraw/zinc/70/23/63/478702363.db2.gz YZDTVPQXZSRYQX-CYBMUJFWSA-N -1 0 344.477 2.611 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000582881681 478708458 /nfs/dbraw/zinc/70/84/58/478708458.db2.gz KQFLQGZFVBOWOI-UHFFFAOYSA-N -1 0 348.355 2.759 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000582889705 478712113 /nfs/dbraw/zinc/71/21/13/478712113.db2.gz VALLISPSEOKRGD-CYBMUJFWSA-N -1 0 344.333 2.967 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000571962159 478715026 /nfs/dbraw/zinc/71/50/26/478715026.db2.gz IYSIHIKQDVLBRM-GDBMZVCRSA-N -1 0 348.399 2.737 20 30 EFEDRM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000497147692 478731664 /nfs/dbraw/zinc/73/16/64/478731664.db2.gz PDNWIFOWTMGAHT-UHFFFAOYSA-N -1 0 337.351 2.979 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000572037882 478736760 /nfs/dbraw/zinc/73/67/60/478736760.db2.gz OGBUJWRZIPZYHV-UHFFFAOYSA-N -1 0 339.355 2.787 20 30 EFEDRM CC(C)(C)OC(=O)NCC(C)(C)CN=Nc1ccc(C(=O)[O-])nc1 ZINC000497275664 478745904 /nfs/dbraw/zinc/74/59/04/478745904.db2.gz CKZOHRBKKPDLQP-UHFFFAOYSA-N -1 0 336.392 2.728 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000583127909 478769353 /nfs/dbraw/zinc/76/93/53/478769353.db2.gz BBZUELLNCDTVFL-HNNXBMFYSA-N -1 0 329.400 2.737 20 30 EFEDRM Cc1cnc([C@@H](C)NS(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601366994 478804358 /nfs/dbraw/zinc/80/43/58/478804358.db2.gz RNVYLSMDVOYTCM-SNVBAGLBSA-N -1 0 339.417 2.810 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(C#N)s3)cccc12 ZINC000564771598 478806470 /nfs/dbraw/zinc/80/64/70/478806470.db2.gz HSTROPZGXMYYRH-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000583261611 478806758 /nfs/dbraw/zinc/80/67/58/478806758.db2.gz WVIRCACGTXAFFP-ZFWWWQNUSA-N -1 0 332.400 2.504 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000564831144 478825890 /nfs/dbraw/zinc/82/58/90/478825890.db2.gz FWWWSGBEHJCBQK-SNVBAGLBSA-N -1 0 327.413 2.934 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NCC2(C(=O)[O-])CCC2)cc1OC ZINC000492121773 478833416 /nfs/dbraw/zinc/83/34/16/478833416.db2.gz YWDNMHQQLAMOPJ-SOFGYWHQSA-N -1 0 345.395 2.644 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F)C(C)C ZINC000592350827 478864773 /nfs/dbraw/zinc/86/47/73/478864773.db2.gz HVWQMEBGTHQFBS-ZDUSSCGKSA-N -1 0 348.371 2.572 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000545294182 478918227 /nfs/dbraw/zinc/91/82/27/478918227.db2.gz ZFFICRYRMBRVBJ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000601638790 478921227 /nfs/dbraw/zinc/92/12/27/478921227.db2.gz KYAXLZJZNSTYAF-SEGBCRLWSA-N -1 0 338.333 2.791 20 30 EFEDRM Cc1ccc(-n2cc(C(=O)N=c3[nH][n-]cc3C#N)c(C(C)(C)C)n2)cc1 ZINC000601639360 478921930 /nfs/dbraw/zinc/92/19/30/478921930.db2.gz OXQBGSYFTRMOAQ-UHFFFAOYSA-N -1 0 348.410 2.747 20 30 EFEDRM CC[C@@H](Cc1cccc(Br)c1)C(=O)N=c1[nH][n-]cc1C#N ZINC000601641968 478922104 /nfs/dbraw/zinc/92/21/04/478922104.db2.gz URWHOAKJSXWBDH-NSHDSACASA-N -1 0 347.216 2.673 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1Cl ZINC000492325851 478933045 /nfs/dbraw/zinc/93/30/45/478933045.db2.gz BPWBDVJFLNPYEI-SREVYHEPSA-N -1 0 340.832 2.657 20 30 EFEDRM COc1ccc2c(c1)c(C(=O)N=c1[nH][n-]c(C3CC3)c1C#N)c(C)n2C ZINC000601735345 478976978 /nfs/dbraw/zinc/97/69/78/478976978.db2.gz AJEQNUUBMGQRSS-UHFFFAOYSA-N -1 0 349.394 2.642 20 30 EFEDRM Cc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1-c1ccccc1C ZINC000601737210 478977619 /nfs/dbraw/zinc/97/76/19/478977619.db2.gz LASRIPOBBPTJFS-UHFFFAOYSA-N -1 0 346.394 2.636 20 30 EFEDRM CC(C)(C#N)C[C@H](O)CSc1n[n-]c(=NCc2ccco2)s1 ZINC000598703260 478980909 /nfs/dbraw/zinc/98/09/09/478980909.db2.gz FGLNPLSGOCYLKT-JTQLQIEISA-N -1 0 338.458 2.558 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000528932928 478992324 /nfs/dbraw/zinc/99/23/24/478992324.db2.gz CYVNSUKBIFWEON-UHFFFAOYSA-N -1 0 332.784 2.614 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC000584031548 478997859 /nfs/dbraw/zinc/99/78/59/478997859.db2.gz VQPLWUQJOVHJNX-INIZCTEOSA-N -1 0 342.351 2.904 20 30 EFEDRM CCc1oc2ccccc2c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000528968837 479003994 /nfs/dbraw/zinc/00/39/94/479003994.db2.gz NIFIXLXMGKNLRH-AWEZNQCLSA-N -1 0 335.363 2.863 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1C(F)(F)F ZINC000528968904 479005733 /nfs/dbraw/zinc/00/57/33/479005733.db2.gz PEJSILXOLDLCIA-NSHDSACASA-N -1 0 335.285 2.953 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000492571576 479008222 /nfs/dbraw/zinc/00/82/22/479008222.db2.gz ZKGUQRGKXGYPPT-VIHMKRCTSA-N -1 0 345.395 2.596 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)c2ccc(Cl)c(C#N)c2)s[n-]1 ZINC000601799305 479011145 /nfs/dbraw/zinc/01/11/45/479011145.db2.gz ZSEZKBGGYSCBFS-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC)c(C)c1 ZINC000528998357 479016143 /nfs/dbraw/zinc/01/61/43/479016143.db2.gz PAPGPXPAIQGNSF-UHFFFAOYSA-N -1 0 338.429 2.529 20 30 EFEDRM CC(C)Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000492778430 479017826 /nfs/dbraw/zinc/01/78/26/479017826.db2.gz SFQIPFARRUCHEY-BQYQJAHWSA-N -1 0 346.452 2.648 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)/C=C\c2cccc(C#N)c2)cc1 ZINC000493093744 479034790 /nfs/dbraw/zinc/03/47/90/479034790.db2.gz PHKIQEPKDBUTJO-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000493265136 479041649 /nfs/dbraw/zinc/04/16/49/479041649.db2.gz VSHRNXKVZGPUBA-SREVYHEPSA-N -1 0 325.817 2.908 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cc(Cl)ccc1Cl ZINC000493430471 479049612 /nfs/dbraw/zinc/04/96/12/479049612.db2.gz YJHWAUKZHNDJFI-UTCJRWHESA-N -1 0 347.223 2.756 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)CC(=O)[O-])cc1OC ZINC000493431730 479049809 /nfs/dbraw/zinc/04/98/09/479049809.db2.gz JRCKQLKGKZSOBJ-XOVSCCBYSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000493489793 479052367 /nfs/dbraw/zinc/05/23/67/479052367.db2.gz OPZPFFUDHKAUKU-BCRSCGJKSA-N -1 0 345.395 2.737 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000493485745 479052708 /nfs/dbraw/zinc/05/27/08/479052708.db2.gz MIKGHVQHTMAKEI-KDQWWBNRSA-N -1 0 345.395 2.643 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(=O)[nH]c(C4CC4)c3)nc1-2 ZINC000546738445 479065419 /nfs/dbraw/zinc/06/54/19/479065419.db2.gz VLNTUIYSVOARKR-GFCCVEGCSA-N -1 0 333.351 2.734 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2OCC)CC1 ZINC000493590859 479070542 /nfs/dbraw/zinc/07/05/42/479070542.db2.gz PEMTWLGBQPRVSB-KTKRTIGZSA-N -1 0 335.425 2.653 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1F ZINC000546859100 479078030 /nfs/dbraw/zinc/07/80/30/479078030.db2.gz GMEUKSBARAUVCN-LBPRGKRZSA-N -1 0 339.305 2.739 20 30 EFEDRM N#CCCn1[n-]c2c(c1=O)SCc1ccc(Br)cc1-2 ZINC000601930943 479079587 /nfs/dbraw/zinc/07/95/87/479079587.db2.gz LEJZEOQYRMUQCO-GFCCVEGCSA-N -1 0 336.214 2.524 20 30 EFEDRM CCc1cc(-n2[n-]c(C)c(CCC#N)c2=O)nc(-c2ccccn2)n1 ZINC000601940222 479084283 /nfs/dbraw/zinc/08/42/83/479084283.db2.gz QGYKCCTZACFCME-AWEZNQCLSA-N -1 0 334.383 2.743 20 30 EFEDRM C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H]1C(=O)[O-] ZINC000595973086 479085845 /nfs/dbraw/zinc/08/58/45/479085845.db2.gz DWQFYENTCJZUBK-NOZJJQNGSA-N -1 0 347.321 2.865 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]3O)c2c1 ZINC000595979050 479087797 /nfs/dbraw/zinc/08/77/97/479087797.db2.gz PUTUYUKDYJQPNI-FZQKWOKYSA-N -1 0 345.786 2.704 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000566178011 479088033 /nfs/dbraw/zinc/08/80/33/479088033.db2.gz VIMQJGQTZMRCDL-UHFFFAOYSA-N -1 0 349.330 2.744 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)CCCCCC(=O)[O-] ZINC000566180121 479088249 /nfs/dbraw/zinc/08/82/49/479088249.db2.gz ZUPMDURGTYHSBF-UHFFFAOYSA-N -1 0 331.459 2.711 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000566697567 479095609 /nfs/dbraw/zinc/09/56/09/479095609.db2.gz NEHZMZTZHWNVBD-UHFFFAOYSA-N -1 0 332.400 2.838 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000584335685 479096853 /nfs/dbraw/zinc/09/68/53/479096853.db2.gz YVKBVSNEPVETPM-LBPRGKRZSA-N -1 0 339.461 2.702 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)n1 ZINC000601964306 479097809 /nfs/dbraw/zinc/09/78/09/479097809.db2.gz YQQXLZUXLTWMMP-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000567108021 479102600 /nfs/dbraw/zinc/10/26/00/479102600.db2.gz BSTUNALJEJROIA-OAHLLOKOSA-N -1 0 346.408 2.938 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccccc2C#N)cn1CC1CC1 ZINC000596043892 479104066 /nfs/dbraw/zinc/10/40/66/479104066.db2.gz HIDNKUKWVUSAJF-UHFFFAOYSA-N -1 0 330.413 2.528 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)n1 ZINC000601975829 479105098 /nfs/dbraw/zinc/10/50/98/479105098.db2.gz KRKYJZCBVIPHST-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cn1CC1CC1 ZINC000596045044 479105547 /nfs/dbraw/zinc/10/55/47/479105547.db2.gz YOWAIGITESDNAZ-UHFFFAOYSA-N -1 0 344.440 2.836 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(C)n1 ZINC000601976777 479106368 /nfs/dbraw/zinc/10/63/68/479106368.db2.gz RQOXKOPMSURATD-UHFFFAOYSA-N -1 0 348.428 2.673 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c(C)n1 ZINC000601977056 479107022 /nfs/dbraw/zinc/10/70/22/479107022.db2.gz KCVABXZFMCHZNM-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CCCC1 ZINC000567604004 479109896 /nfs/dbraw/zinc/10/98/96/479109896.db2.gz NXZXDJHQNRDMSP-UHFFFAOYSA-N -1 0 344.411 2.505 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000547330124 479110203 /nfs/dbraw/zinc/11/02/03/479110203.db2.gz WPWBMXQMCVGQHG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)CC#N)cc1C(=O)[O-] ZINC000567617545 479110773 /nfs/dbraw/zinc/11/07/73/479110773.db2.gz NINPRQWEGMUVIF-UHFFFAOYSA-N -1 0 344.820 2.565 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596058434 479112081 /nfs/dbraw/zinc/11/20/81/479112081.db2.gz ICWOXBNKMNYVJD-NSHDSACASA-N -1 0 333.413 2.925 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000601985499 479111995 /nfs/dbraw/zinc/11/19/95/479111995.db2.gz ZNMOEIATTNJDCR-GHMZBOCLSA-N -1 0 342.273 2.896 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000601993352 479120486 /nfs/dbraw/zinc/12/04/86/479120486.db2.gz URCCYUFNYSQMEO-MSOLQXFVSA-N -1 0 334.375 2.952 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000568216669 479121993 /nfs/dbraw/zinc/12/19/93/479121993.db2.gz YELYEWNYWVSSTK-SFHVURJKSA-N -1 0 337.383 2.898 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601995434 479123189 /nfs/dbraw/zinc/12/31/89/479123189.db2.gz OFCCDCRTUWXGSK-NEPJUHHUSA-N -1 0 325.405 2.935 20 30 EFEDRM N#CCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000568395410 479125184 /nfs/dbraw/zinc/12/51/84/479125184.db2.gz JORRUMZNWJUEEB-HXUWFJFHSA-N -1 0 334.375 2.621 20 30 EFEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000548303118 479125598 /nfs/dbraw/zinc/12/55/98/479125598.db2.gz FCAFYAJRHGFFEN-NSHDSACASA-N -1 0 326.385 2.548 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCCCCC[C@H]2C(=O)[O-])CCCCC1 ZINC000548763782 479129541 /nfs/dbraw/zinc/12/95/41/479129541.db2.gz FLPSAAYBTKWBHI-AWEZNQCLSA-N -1 0 342.461 2.510 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1CC1CCCC1 ZINC000568950081 479133046 /nfs/dbraw/zinc/13/30/46/479133046.db2.gz IRAAUQCJSYAOPT-HNNXBMFYSA-N -1 0 338.415 2.674 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000569345939 479140144 /nfs/dbraw/zinc/14/01/44/479140144.db2.gz HDTABTCAWFYFGM-UHFFFAOYSA-N -1 0 339.779 2.882 20 30 EFEDRM O=C(N=c1[n-]nc2n1CCCC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000569374961 479140308 /nfs/dbraw/zinc/14/03/08/479140308.db2.gz FJFDOEKANHMWPR-UHFFFAOYSA-N -1 0 342.402 2.688 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCO[C@@H](C(CC)CC)C1)C(=O)[O-] ZINC000573897332 479166895 /nfs/dbraw/zinc/16/68/95/479166895.db2.gz ASIHEXXOIKRTGB-SOUVJXGZSA-N -1 0 326.437 2.689 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1)C(=O)[O-] ZINC000573897329 479167221 /nfs/dbraw/zinc/16/72/21/479167221.db2.gz ASIHEXXOIKRTGB-ILXRZTDVSA-N -1 0 326.437 2.689 20 30 EFEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C)nn1CCC#N ZINC000569774851 479171221 /nfs/dbraw/zinc/17/12/21/479171221.db2.gz ZDOHTSZBNFGZEY-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000556709543 479181126 /nfs/dbraw/zinc/18/11/26/479181126.db2.gz STAKCYCOSYHPPL-XJKSGUPXSA-N -1 0 347.390 2.957 20 30 EFEDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000610783287 479186281 /nfs/dbraw/zinc/18/62/81/479186281.db2.gz RXAYEQPADDQBDU-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM CC1(C#N)CN(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000556726023 479187395 /nfs/dbraw/zinc/18/73/95/479187395.db2.gz GTOXWXLTEPAHIF-UHFFFAOYSA-N -1 0 339.380 2.751 20 30 EFEDRM N#Cc1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])s1 ZINC000610796111 479190713 /nfs/dbraw/zinc/19/07/13/479190713.db2.gz KYAJUHCYTYVXHS-FPLPWBNLSA-N -1 0 337.360 2.585 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000596216179 479203774 /nfs/dbraw/zinc/20/37/74/479203774.db2.gz VUVJKBHVOSHDQH-HNNXBMFYSA-N -1 0 326.425 2.825 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2CCCc2ccccc2)[n-]1 ZINC000610876609 479219102 /nfs/dbraw/zinc/21/91/02/479219102.db2.gz CGFBWYQTNRQSJR-QGZVFWFLSA-N -1 0 337.427 2.733 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]nc([C@H]3CCCO3)s2)cc1 ZINC000602211461 479239458 /nfs/dbraw/zinc/23/94/58/479239458.db2.gz PFTQHAIMPBCKHT-CYBMUJFWSA-N -1 0 342.424 2.865 20 30 EFEDRM Cn1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C1CC1 ZINC000574373728 479273298 /nfs/dbraw/zinc/27/32/98/479273298.db2.gz WMSGNZINHWBCIL-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1)c1cccc(C#N)c1 ZINC000603164905 479286210 /nfs/dbraw/zinc/28/62/10/479286210.db2.gz LYBHINQLPMTXQP-GWCFXTLKSA-N -1 0 343.412 2.566 20 30 EFEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000611124162 479288344 /nfs/dbraw/zinc/28/83/44/479288344.db2.gz XZMRSRRRKLBEJS-UONOGXRCSA-N -1 0 346.481 2.778 20 30 EFEDRM N#CCc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000611146527 479294565 /nfs/dbraw/zinc/29/45/65/479294565.db2.gz QXYHNWPMXWVQAI-UHFFFAOYSA-N -1 0 334.404 2.869 20 30 EFEDRM CCc1nnc(NC[C@](C)(C(=O)[O-])c2ccccc2)c(C#N)c1CC ZINC000593327543 479297275 /nfs/dbraw/zinc/29/72/75/479297275.db2.gz OKVVNOWSZKRLTL-IBGZPJMESA-N -1 0 338.411 2.927 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000596448028 479298031 /nfs/dbraw/zinc/29/80/31/479298031.db2.gz TTZQCIZOQTWOGH-GFCCVEGCSA-N -1 0 327.413 2.785 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000574546847 479307337 /nfs/dbraw/zinc/30/73/37/479307337.db2.gz UEECZENPPQUFHS-ZDUSSCGKSA-N -1 0 338.429 2.994 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1ccc(C(F)(F)F)cn1 ZINC000574627834 479318941 /nfs/dbraw/zinc/31/89/41/479318941.db2.gz IBMYWSPYIUMUIL-JTQLQIEISA-N -1 0 336.273 2.569 20 30 EFEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F ZINC000574751060 479341784 /nfs/dbraw/zinc/34/17/84/479341784.db2.gz PNZLGELCCMATSE-PRHODGIISA-N -1 0 338.326 2.953 20 30 EFEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)nn1[C@@H](C)C1CC1 ZINC000611472783 479387909 /nfs/dbraw/zinc/38/79/09/479387909.db2.gz MKVXFXLLGJBXBI-LBPRGKRZSA-N -1 0 340.431 2.660 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)on1 ZINC000611599279 479428934 /nfs/dbraw/zinc/42/89/34/479428934.db2.gz QYXBVPXBLLBZGW-MRVPVSSYSA-N -1 0 345.311 2.700 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000588766927 479439601 /nfs/dbraw/zinc/43/96/01/479439601.db2.gz XXVFWDNJGQTCAT-UHFFFAOYSA-N -1 0 338.264 2.991 20 30 EFEDRM COc1cc(C2(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)CC2)ccc1C ZINC000588770110 479439637 /nfs/dbraw/zinc/43/96/37/479439637.db2.gz WCXDGUKHQXIMNA-UHFFFAOYSA-N -1 0 336.395 2.568 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(-c2ccccc2F)on1 ZINC000588767503 479440274 /nfs/dbraw/zinc/44/02/74/479440274.db2.gz GQBRFWOEXVZVMC-UHFFFAOYSA-N -1 0 337.314 2.627 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OCC ZINC000588839534 479447076 /nfs/dbraw/zinc/44/70/76/479447076.db2.gz GSUVEMZLOGMJDI-UHFFFAOYSA-N -1 0 336.369 2.749 20 30 EFEDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C ZINC000588840914 479448353 /nfs/dbraw/zinc/44/83/53/479448353.db2.gz KLRLVHBOAPYCHX-UHFFFAOYSA-N -1 0 333.369 2.527 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)Cc2ccsc2)cc1C#N ZINC000604200725 479484891 /nfs/dbraw/zinc/48/48/91/479484891.db2.gz UUPVKUUOIPHAAR-SECBINFHSA-N -1 0 333.438 2.803 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C)c(C)s2)n1 ZINC000618561476 479493016 /nfs/dbraw/zinc/49/30/16/479493016.db2.gz ZSBGJGCRMKSLMA-VIFPVBQESA-N -1 0 335.410 2.883 20 30 EFEDRM N#Cc1cccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)n1 ZINC000589344512 479517042 /nfs/dbraw/zinc/51/70/42/479517042.db2.gz WIPSRFAJCAKFOU-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C#N ZINC000593957122 479520141 /nfs/dbraw/zinc/52/01/41/479520141.db2.gz YLIJGGJDGFTYJZ-CQSZACIVSA-N -1 0 333.388 2.824 20 30 EFEDRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000589586914 479542497 /nfs/dbraw/zinc/54/24/97/479542497.db2.gz OSDUXDBRBSAOKR-UHFFFAOYSA-N -1 0 332.429 2.865 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)c1 ZINC000589592804 479542732 /nfs/dbraw/zinc/54/27/32/479542732.db2.gz NKHMWFYZQCUXPY-UHFFFAOYSA-N -1 0 340.364 2.603 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589588904 479543050 /nfs/dbraw/zinc/54/30/50/479543050.db2.gz MWKKHQNZPNEHJY-UHFFFAOYSA-N -1 0 344.440 2.945 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000618667499 479543366 /nfs/dbraw/zinc/54/33/66/479543366.db2.gz DPTBMSFLGVDFGW-ZDUSSCGKSA-N -1 0 325.397 2.518 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000618766243 479585940 /nfs/dbraw/zinc/58/59/40/479585940.db2.gz MJVOAXPZGOPZLE-GFCCVEGCSA-N -1 0 347.300 2.598 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000576939557 479586381 /nfs/dbraw/zinc/58/63/81/479586381.db2.gz ADMLUGAMHJKTIQ-UHFFFAOYSA-N -1 0 335.381 2.779 20 30 EFEDRM N#CC1(CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000577697527 479595322 /nfs/dbraw/zinc/59/53/22/479595322.db2.gz PUVFDRJVUJBFGE-UHFFFAOYSA-N -1 0 333.804 2.706 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000578110864 479601284 /nfs/dbraw/zinc/60/12/84/479601284.db2.gz XKDANILJEWHNAP-CYBMUJFWSA-N -1 0 347.396 2.587 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000578110865 479601504 /nfs/dbraw/zinc/60/15/04/479601504.db2.gz XKDANILJEWHNAP-ZDUSSCGKSA-N -1 0 347.396 2.587 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000590103849 479603489 /nfs/dbraw/zinc/60/34/89/479603489.db2.gz PKALLSMLFUVVTP-UHFFFAOYSA-N -1 0 329.429 2.564 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000578224213 479603716 /nfs/dbraw/zinc/60/37/16/479603716.db2.gz ROKZORJLCWRKBF-HNNXBMFYSA-N -1 0 332.400 2.648 20 30 EFEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1c(C#N)cnn1CC ZINC000615129966 479611646 /nfs/dbraw/zinc/61/16/46/479611646.db2.gz NTMSRXIUTCYXNQ-UHFFFAOYSA-N -1 0 332.429 2.700 20 30 EFEDRM CCc1ccc(C2CCN(C(=O)N=c3[n-]n(C)cc3C#N)CC2)cc1 ZINC000602885049 479611854 /nfs/dbraw/zinc/61/18/54/479611854.db2.gz YHQQACRRPBLFJS-UHFFFAOYSA-N -1 0 337.427 2.688 20 30 EFEDRM Cc1ccc(-c2nnc(S(=O)(=O)Cc3ccc(C#N)cc3)[n-]2)cc1 ZINC000578832500 479612208 /nfs/dbraw/zinc/61/22/08/479612208.db2.gz SMFQPOSVABYNTO-UHFFFAOYSA-N -1 0 338.392 2.626 20 30 EFEDRM C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCc2ccc(Cl)cc21 ZINC000602889150 479614359 /nfs/dbraw/zinc/61/43/59/479614359.db2.gz XJXCONRFSWEMOQ-LLVKDONJSA-N -1 0 343.818 2.561 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000578949361 479635320 /nfs/dbraw/zinc/63/53/20/479635320.db2.gz SHRJZQIVBLNCHP-ZFWWWQNUSA-N -1 0 332.400 2.646 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597520 479665854 /nfs/dbraw/zinc/66/58/54/479665854.db2.gz JXZRORLHVJSCAU-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COCCOCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000615425386 479673267 /nfs/dbraw/zinc/67/32/67/479673267.db2.gz RRDDTXNAZLLRTR-UHFFFAOYSA-N -1 0 326.352 2.679 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@](F)(C#N)C2)s1 ZINC000619336061 479762714 /nfs/dbraw/zinc/76/27/14/479762714.db2.gz NSXWIBGIWQLFRU-HNNXBMFYSA-N -1 0 349.366 2.544 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461150 479800061 /nfs/dbraw/zinc/80/00/61/479800061.db2.gz IAARIXUQAYCGET-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)cc1 ZINC000619472324 479804126 /nfs/dbraw/zinc/80/41/26/479804126.db2.gz FEUSQTFNOWFJMV-MRXNPFEDSA-N -1 0 346.394 2.520 20 30 EFEDRM C=CCSCCNC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000619542555 479822870 /nfs/dbraw/zinc/82/28/70/479822870.db2.gz ALQUCOOOCPWTFP-UHFFFAOYSA-N -1 0 342.848 2.855 20 30 EFEDRM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619547006 479823856 /nfs/dbraw/zinc/82/38/56/479823856.db2.gz KJKHPGRADHIXGK-UHFFFAOYSA-N -1 0 349.437 2.560 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000619547065 479823889 /nfs/dbraw/zinc/82/38/89/479823889.db2.gz XBDYGOQALGRQRA-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])C1 ZINC000629334796 480222295 /nfs/dbraw/zinc/22/22/95/480222295.db2.gz YMCKNERSVVWJMP-GFCCVEGCSA-N -1 0 346.408 2.520 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610056456 480232846 /nfs/dbraw/zinc/23/28/46/480232846.db2.gz SLILUTOCZGWSHW-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@@H](C)COC ZINC000617582872 480288164 /nfs/dbraw/zinc/28/81/64/480288164.db2.gz WQWQSUZGMMJTNV-ZDUSSCGKSA-N -1 0 347.390 2.689 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2ccccc2n1C(F)F ZINC000626299871 480301628 /nfs/dbraw/zinc/30/16/28/480301628.db2.gz BQQNGFVXRHKGMJ-JTQLQIEISA-N -1 0 342.309 2.848 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2c2ccccc2Cl)[n-]1 ZINC000610561466 480337022 /nfs/dbraw/zinc/33/70/22/480337022.db2.gz KQAQDHILOVTBQC-AWEZNQCLSA-N -1 0 329.791 2.736 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)[n-]1 ZINC000610561910 480337186 /nfs/dbraw/zinc/33/71/86/480337186.db2.gz SPKMCLMGBNRUGV-QGZVFWFLSA-N -1 0 349.369 2.764 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000610560958 480337469 /nfs/dbraw/zinc/33/74/69/480337469.db2.gz MTKULUWNDUXCCI-MRVPVSSYSA-N -1 0 338.198 2.903 20 30 EFEDRM CCC(CC)(CNC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1 ZINC000610560522 480337598 /nfs/dbraw/zinc/33/75/98/480337598.db2.gz FDFYARRDFMKFHS-UHFFFAOYSA-N -1 0 325.416 2.593 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCc2ccccc2Oc2ccccc2)[n-]1 ZINC000610563416 480337856 /nfs/dbraw/zinc/33/78/56/480337856.db2.gz CQZVFSADQHIMOS-UHFFFAOYSA-N -1 0 347.378 2.828 20 30 EFEDRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610565445 480338253 /nfs/dbraw/zinc/33/82/53/480338253.db2.gz WLCDQZOSHZZBOX-AWEZNQCLSA-N -1 0 331.807 2.510 20 30 EFEDRM Cc1cccc([C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)(C)C)c1 ZINC000610563373 480338366 /nfs/dbraw/zinc/33/83/66/480338366.db2.gz BHNLIKYEKGXCNX-HNNXBMFYSA-N -1 0 325.416 2.931 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000610565044 480338638 /nfs/dbraw/zinc/33/86/38/480338638.db2.gz OJZWJKYRHCEKFX-CYBMUJFWSA-N -1 0 346.394 2.658 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)[n-]1 ZINC000610584947 480345134 /nfs/dbraw/zinc/34/51/34/480345134.db2.gz RPOVXLPQGZCVEN-IBGZPJMESA-N -1 0 337.427 2.590 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000617783278 480360980 /nfs/dbraw/zinc/36/09/80/480360980.db2.gz XBARZQKKYUEXLI-OAHLLOKOSA-N -1 0 325.412 2.902 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000617783277 480361239 /nfs/dbraw/zinc/36/12/39/480361239.db2.gz XBARZQKKYUEXLI-HNNXBMFYSA-N -1 0 325.412 2.902 20 30 EFEDRM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610711229 480371132 /nfs/dbraw/zinc/37/11/32/480371132.db2.gz AYOKHHITHPWTIK-DOTOQJQBSA-N -1 0 348.374 2.845 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nc(OC)cc(C(F)(F)F)n2)s1 ZINC000623803716 480461176 /nfs/dbraw/zinc/46/11/76/480461176.db2.gz OMHJZPZLWCVDLR-UHFFFAOYSA-N -1 0 349.363 2.527 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)[C@@](CC)(CC(=O)[O-])c1ccc(C)cc1 ZINC000634840275 480573946 /nfs/dbraw/zinc/57/39/46/480573946.db2.gz HLDGAKOIIRXYJE-GJYPPUQNSA-N -1 0 331.412 2.577 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000621535471 480579854 /nfs/dbraw/zinc/57/98/54/480579854.db2.gz XFCXXISWIANGBY-UHFFFAOYSA-N -1 0 325.368 2.693 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC000630186471 480598189 /nfs/dbraw/zinc/59/81/89/480598189.db2.gz RZIZPEDJRQIUAE-CABCVRRESA-N -1 0 339.819 2.996 20 30 EFEDRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893723 480612787 /nfs/dbraw/zinc/61/27/87/480612787.db2.gz ZLLXKHWYSSJBDL-ZIAGYGMSSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCC1(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)CCOCC1 ZINC000634928106 480640958 /nfs/dbraw/zinc/64/09/58/480640958.db2.gz FPUYBTKRYLXXPG-INIZCTEOSA-N -1 0 337.441 2.722 20 30 EFEDRM C=CCN(C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)[C@H](C)COC ZINC000634929881 480642041 /nfs/dbraw/zinc/64/20/41/480642041.db2.gz UHMUAKVVSYECIC-WBMJQRKESA-N -1 0 325.430 2.530 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000630288863 480655276 /nfs/dbraw/zinc/65/52/76/480655276.db2.gz JUEIHKCVTXRMIU-CQSZACIVSA-N -1 0 327.384 2.963 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000630316666 480667631 /nfs/dbraw/zinc/66/76/31/480667631.db2.gz GDROLXALTKDLSF-LBPRGKRZSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000630318242 480668870 /nfs/dbraw/zinc/66/88/70/480668870.db2.gz FWZKKXIAXWTMEN-LLVKDONJSA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000630318636 480668903 /nfs/dbraw/zinc/66/89/03/480668903.db2.gz KPYWDDQIYHNEAE-LBPRGKRZSA-N -1 0 331.290 2.663 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(/C=C\C)cc1OC)C(=O)[O-] ZINC000630319098 480668954 /nfs/dbraw/zinc/66/89/54/480668954.db2.gz RUYYKHRKNAKSCK-GEXIGZQTSA-N -1 0 333.384 2.643 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000630318226 480668968 /nfs/dbraw/zinc/66/89/68/480668968.db2.gz FUABYQKYHJQVAP-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000630317789 480669016 /nfs/dbraw/zinc/66/90/16/480669016.db2.gz AFSLLZUSYRMLRI-LLVKDONJSA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC000630327176 480672960 /nfs/dbraw/zinc/67/29/60/480672960.db2.gz XWWUQODXQDAGEV-LLVKDONJSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)CCCCCC(=O)[O-] ZINC000645956455 480989961 /nfs/dbraw/zinc/98/99/61/480989961.db2.gz ALSPYIICHXYXDU-UHFFFAOYSA-N -1 0 343.420 2.789 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000646157940 481133018 /nfs/dbraw/zinc/13/30/18/481133018.db2.gz PLWHIWGDFOCFQI-UHFFFAOYSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065460 481198163 /nfs/dbraw/zinc/19/81/63/481198163.db2.gz XITRFMJGPPJXJV-GXTWGEPZSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653297079 481209172 /nfs/dbraw/zinc/20/91/72/481209172.db2.gz GZFJPLUPLHAJIE-SFHVURJKSA-N -1 0 343.383 2.744 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000659154231 481237040 /nfs/dbraw/zinc/23/70/40/481237040.db2.gz NSMSBYWXGKXHTO-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCCNC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000659170267 481247283 /nfs/dbraw/zinc/24/72/83/481247283.db2.gz KWZNYJSKOBFBOY-UHFFFAOYSA-N -1 0 341.411 2.812 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000653659039 481391076 /nfs/dbraw/zinc/39/10/76/481391076.db2.gz BBIULAIKPDBEGO-CABZTGNLSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCCn1cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)nn1 ZINC000659794066 481553423 /nfs/dbraw/zinc/55/34/23/481553423.db2.gz MVYUEDNJSPALPS-IRXDYDNUSA-N -1 0 326.400 2.645 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647379685 481793257 /nfs/dbraw/zinc/79/32/57/481793257.db2.gz DPSRYHJVKKIHFM-CQSZACIVSA-N -1 0 343.408 2.931 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCO[C@H]2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000647406670 481805880 /nfs/dbraw/zinc/80/58/80/481805880.db2.gz WXXFEOYXNALLLB-BBRMVZONSA-N -1 0 328.416 2.921 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000647452193 481832764 /nfs/dbraw/zinc/83/27/64/481832764.db2.gz NUYFHCHPAPMLSX-UHFFFAOYSA-N -1 0 345.424 2.671 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c2c1CCCC2 ZINC000651581684 481860920 /nfs/dbraw/zinc/86/09/20/481860920.db2.gz RQABBGAMQVWNMJ-CYBMUJFWSA-N -1 0 333.395 2.676 20 30 EFEDRM COCc1nn(C)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000651639405 481884634 /nfs/dbraw/zinc/88/46/34/481884634.db2.gz SRHFJQQYPTYJGR-SNVBAGLBSA-N -1 0 344.371 2.805 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccccc1OC(F)F)C(=O)[O-] ZINC000654794853 482053676 /nfs/dbraw/zinc/05/36/76/482053676.db2.gz RCGALFKINDCKAZ-LBPRGKRZSA-N -1 0 342.342 2.549 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000663437022 482235224 /nfs/dbraw/zinc/23/52/24/482235224.db2.gz VICKLDOGOLIYGD-UHFFFAOYSA-N -1 0 341.429 2.563 20 30 EFEDRM C=CCCOCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666538645 482371431 /nfs/dbraw/zinc/37/14/31/482371431.db2.gz MPQSKWDYFYCPJQ-UHFFFAOYSA-N -1 0 346.427 2.867 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C#N)C3CCCCC3)cc2=O)cc1 ZINC000176622605 534237835 /nfs/dbraw/zinc/23/78/35/534237835.db2.gz VBKCIVRZZANFTA-KRWDZBQOSA-N -1 0 338.411 2.676 20 30 EFEDRM C=C(C)[C@H](NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000421809525 534338709 /nfs/dbraw/zinc/33/87/09/534338709.db2.gz VGNZWINAVHHBBS-BFVZDQMLSA-N -1 0 327.327 2.576 20 30 EFEDRM C=CCc1cc(C(=O)NC2(CC(=O)[O-])CCCC2)cc(OC)c1OC ZINC000262821893 534409806 /nfs/dbraw/zinc/40/98/06/534409806.db2.gz FDWQUSSHFLYJIR-UHFFFAOYSA-N -1 0 347.411 2.950 20 30 EFEDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181147907 534418706 /nfs/dbraw/zinc/41/87/06/534418706.db2.gz OGPORQVZZAMPDV-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCc1ccc(OCC(=O)NC(C)(C)CCC(=O)[O-])c(OC)c1 ZINC000262569506 534420706 /nfs/dbraw/zinc/42/07/06/534420706.db2.gz CEHWNKRORUYZIJ-UHFFFAOYSA-N -1 0 335.400 2.562 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263181490 519778352 /nfs/dbraw/zinc/77/83/52/519778352.db2.gz UHUJKMYHPKXXCQ-JSGCOSHPSA-N -1 0 345.399 2.920 20 30 EFEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195444450 520307411 /nfs/dbraw/zinc/30/74/11/520307411.db2.gz PDQKANAOEXWHCH-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057125701 520869454 /nfs/dbraw/zinc/86/94/54/520869454.db2.gz SKPVLHCNQRZXDT-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000057125729 520869567 /nfs/dbraw/zinc/86/95/67/520869567.db2.gz ZXLGWGDMOXSBRG-UHFFFAOYSA-N -1 0 327.365 2.629 20 30 EFEDRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000425992648 534526199 /nfs/dbraw/zinc/52/61/99/534526199.db2.gz GHAHEMNFRXBEFM-UHFFFAOYSA-N -1 0 343.408 2.983 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n(C)n1 ZINC000186636306 521380834 /nfs/dbraw/zinc/38/08/34/521380834.db2.gz YSUNGZZOINGZIT-UHFFFAOYSA-N -1 0 338.820 2.698 20 30 EFEDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000048504105 521483014 /nfs/dbraw/zinc/48/30/14/521483014.db2.gz OUBZWBQMMTUHTD-UHFFFAOYSA-N -1 0 349.437 2.969 20 30 EFEDRM CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000180238084 521565159 /nfs/dbraw/zinc/56/51/59/521565159.db2.gz SXZMVNJGXHQAMH-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414097405 534598631 /nfs/dbraw/zinc/59/86/31/534598631.db2.gz RUHXOUOEUXXSQL-KEYYUXOJSA-N -1 0 337.803 2.532 20 30 EFEDRM C=CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000262763659 534609954 /nfs/dbraw/zinc/60/99/54/534609954.db2.gz KPPCEWHGUFRYKP-CQSZACIVSA-N -1 0 333.384 2.571 20 30 EFEDRM C=C[C@H](C)NC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000362612887 534641072 /nfs/dbraw/zinc/64/10/72/534641072.db2.gz JIDAWHMDJZZRIU-JTQLQIEISA-N -1 0 345.453 2.820 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccncn2)cc(C(F)(F)F)c1 ZINC000354469351 534692749 /nfs/dbraw/zinc/69/27/49/534692749.db2.gz QPNYZURWGWGCEO-ZDUSSCGKSA-N -1 0 348.284 2.944 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000362131863 534738539 /nfs/dbraw/zinc/73/85/39/534738539.db2.gz YGPDVPIFBQIOHH-GFCCVEGCSA-N -1 0 348.284 2.944 20 30 EFEDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000186597843 523865428 /nfs/dbraw/zinc/86/54/28/523865428.db2.gz FBUGJUBNCKKRAO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C(=O)OC)c(C(C)C)s1 ZINC000427792287 534746242 /nfs/dbraw/zinc/74/62/42/534746242.db2.gz HPRNYIKMXRLALP-UHFFFAOYSA-N -1 0 332.447 2.761 20 30 EFEDRM N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000182013705 534745972 /nfs/dbraw/zinc/74/59/72/534745972.db2.gz GYDRFQXCLQFYMN-ZDUSSCGKSA-N -1 0 331.715 2.948 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000262845171 534793326 /nfs/dbraw/zinc/79/33/26/534793326.db2.gz HIAVEFQHDXNVEP-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC000262788922 534795315 /nfs/dbraw/zinc/79/53/15/534795315.db2.gz BQHMEXZPJVUMID-MRXNPFEDSA-N -1 0 339.395 2.899 20 30 EFEDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000125678812 524760972 /nfs/dbraw/zinc/76/09/72/524760972.db2.gz DNTRSMKBJSEKPB-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000176717634 525001125 /nfs/dbraw/zinc/00/11/25/525001125.db2.gz MQAJYKGTXKGBKH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000238030284 534839853 /nfs/dbraw/zinc/83/98/53/534839853.db2.gz VCEPGTPTPFNTFK-UHFFFAOYSA-N -1 0 341.323 2.516 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000238030329 534840318 /nfs/dbraw/zinc/84/03/18/534840318.db2.gz DZGZSOAMCQABIP-UHFFFAOYSA-N -1 0 330.296 2.714 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000263031538 534880139 /nfs/dbraw/zinc/88/01/39/534880139.db2.gz OPUFXGAJWOCXPL-NSHDSACASA-N -1 0 335.381 2.702 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-] ZINC000262915310 534880227 /nfs/dbraw/zinc/88/02/27/534880227.db2.gz FRJORJYFUXZPKO-AWEZNQCLSA-N -1 0 325.792 2.849 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000263044227 534880412 /nfs/dbraw/zinc/88/04/12/534880412.db2.gz PKIINBWRYYTIIK-NSHDSACASA-N -1 0 337.372 2.734 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc2nsnc21)C1CC1 ZINC000064667534 526196220 /nfs/dbraw/zinc/19/62/20/526196220.db2.gz MIKFPMSIWZWKKH-MRVPVSSYSA-N -1 0 325.415 2.773 20 30 EFEDRM Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)c(C#N)c1C ZINC000182698640 526387482 /nfs/dbraw/zinc/38/74/82/526387482.db2.gz SLJHEYVZDZVWJB-UHFFFAOYSA-N -1 0 329.410 2.555 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C#N ZINC000185646034 526526545 /nfs/dbraw/zinc/52/65/45/526526545.db2.gz VRPALBLYPKFFHI-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262465650 526631320 /nfs/dbraw/zinc/63/13/20/526631320.db2.gz RLYYRNLVJWOPLE-UHFFFAOYSA-N -1 0 332.425 2.505 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000177994794 526633853 /nfs/dbraw/zinc/63/38/53/526633853.db2.gz IMMQUHUQOMPCSW-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000180471236 526662795 /nfs/dbraw/zinc/66/27/95/526662795.db2.gz PJSFQBJOQZKEEG-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)cc1 ZINC000185968036 526685279 /nfs/dbraw/zinc/68/52/79/526685279.db2.gz DOCSSLBUQALVOI-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000081959384 526708219 /nfs/dbraw/zinc/70/82/19/526708219.db2.gz AVOZJVCXHPHPHR-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000181121164 526732637 /nfs/dbraw/zinc/73/26/37/526732637.db2.gz YFIQUTIMMASIJK-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)cc1C(=O)[O-] ZINC000262533586 526767414 /nfs/dbraw/zinc/76/74/14/526767414.db2.gz SYGGMLFWSZZCCM-GFCCVEGCSA-N -1 0 342.351 2.584 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 ZINC000050205283 527282310 /nfs/dbraw/zinc/28/23/10/527282310.db2.gz HOJKSTNXGWZVEI-QWHCGFSZSA-N -1 0 339.804 2.522 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCC3(CC)CC3)cc2[n-]c1=S ZINC000178166902 527334205 /nfs/dbraw/zinc/33/42/05/527334205.db2.gz YTGOWGFOOCUBAA-UHFFFAOYSA-N -1 0 343.452 2.791 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000162205260 527580925 /nfs/dbraw/zinc/58/09/25/527580925.db2.gz FIANLTMJBLJXSB-UHFFFAOYSA-N -1 0 333.768 2.516 20 30 EFEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1 ZINC000187730803 527781350 /nfs/dbraw/zinc/78/13/50/527781350.db2.gz CJYRRPGZYTUURN-UHFFFAOYSA-N -1 0 348.428 2.517 20 30 EFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)nn1C ZINC000080286024 528005579 /nfs/dbraw/zinc/00/55/79/528005579.db2.gz ZUPUBAZHLAXGRS-UHFFFAOYSA-N -1 0 327.450 2.758 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1 ZINC000362128167 534954254 /nfs/dbraw/zinc/95/42/54/534954254.db2.gz DCUJYVASAQBMJM-SNVBAGLBSA-N -1 0 337.305 2.937 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nccc(-c2cnccn2)n1 ZINC000295658335 534989712 /nfs/dbraw/zinc/98/97/12/534989712.db2.gz BKGBMIRZRKOWJV-UHFFFAOYSA-N -1 0 335.433 2.646 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000360426747 535004460 /nfs/dbraw/zinc/00/44/60/535004460.db2.gz SCTNWRJHZIOREM-UHFFFAOYSA-N -1 0 330.363 2.777 20 30 EFEDRM CC[C@](CNC(=O)c1cccc(CC#N)c1)(C(=O)[O-])c1ccccc1 ZINC000263135815 535868958 /nfs/dbraw/zinc/86/89/58/535868958.db2.gz ZGBYGVUBDKLSKD-HXUWFJFHSA-N -1 0 336.391 2.915 20 30 EFEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435430760 535874054 /nfs/dbraw/zinc/87/40/54/535874054.db2.gz FLYBZWDATNRKRO-OIBJUYFYSA-N -1 0 326.365 2.875 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(F)(C#N)CC2)n1 ZINC000359478378 535920119 /nfs/dbraw/zinc/92/01/19/535920119.db2.gz YUUINOBRHGNBIO-UHFFFAOYSA-N -1 0 342.374 2.608 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000263476968 536311486 /nfs/dbraw/zinc/31/14/86/536311486.db2.gz JPCLDSSGTVRIFX-UHFFFAOYSA-N -1 0 344.396 2.544 20 30 EFEDRM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000360030248 536507313 /nfs/dbraw/zinc/50/73/13/536507313.db2.gz FQLAAHAZUUSSPU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359973796 536657569 /nfs/dbraw/zinc/65/75/69/536657569.db2.gz BEPCTXONCSDAPR-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000337958412 536805620 /nfs/dbraw/zinc/80/56/20/536805620.db2.gz AOKUBCICWVSENB-CYBMUJFWSA-N -1 0 346.399 2.566 20 30 EFEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(OC)c1OC ZINC000193611418 536872948 /nfs/dbraw/zinc/87/29/48/536872948.db2.gz JJOCMMNKLMFAHE-UXBLZVDNSA-N -1 0 341.367 2.536 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000191172623 545512756 /nfs/dbraw/zinc/51/27/56/545512756.db2.gz ZCNYFULMLDHUIT-QWRGUYRKSA-N -1 0 329.805 2.548 20 30 EFEDRM C=CCCOCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194415939 545545060 /nfs/dbraw/zinc/54/50/60/545545060.db2.gz YIIQFDCDLXGZBE-UHFFFAOYSA-N -1 0 335.791 2.554 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nnc4ccccc4n3)nc21 ZINC000355166808 546078260 /nfs/dbraw/zinc/07/82/60/546078260.db2.gz HDYRYULEHQUQQL-NSHDSACASA-N -1 0 328.335 2.700 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC000656181199 546710835 /nfs/dbraw/zinc/71/08/35/546710835.db2.gz QYLHEDIQRMJKHR-UHFFFAOYSA-N -1 0 341.429 2.556 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cccc(O[C@@H](C)CC)c1)C(=O)[O-] ZINC000656513287 546826359 /nfs/dbraw/zinc/82/63/59/546826359.db2.gz VBDNIESCOSYBLA-SWLSCSKDSA-N -1 0 341.429 2.562 20 30 EFEDRM C=CCCn1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)nn1 ZINC000656574776 546847533 /nfs/dbraw/zinc/84/75/33/546847533.db2.gz YQSVWWVTSHCDLI-CQSZACIVSA-N -1 0 338.770 2.562 20 30 EFEDRM C=CCC1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCOCC1 ZINC000657128470 547039813 /nfs/dbraw/zinc/03/98/13/547039813.db2.gz XNFUFUZTWURWNK-UHFFFAOYSA-N -1 0 335.347 2.508 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000677644471 548741411 /nfs/dbraw/zinc/74/14/11/548741411.db2.gz PYMPFVNIUDNFNH-KDOFPFPSSA-N -1 0 333.395 2.765 20 30 EFEDRM C=CCCOCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000678980776 549030210 /nfs/dbraw/zinc/03/02/10/549030210.db2.gz ADTSBPOIURQYKG-SFHVURJKSA-N -1 0 341.407 2.792 20 30 EFEDRM Cn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000682002317 549675780 /nfs/dbraw/zinc/67/57/80/549675780.db2.gz HONBRPMMGBVBJX-CQSZACIVSA-N -1 0 342.362 2.848 20 30 EFEDRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)O1 ZINC000682521360 549756824 /nfs/dbraw/zinc/75/68/24/549756824.db2.gz IVJWCJBVWDDWHF-HZPDHXFCSA-N -1 0 341.388 2.719 20 30 EFEDRM C=C(C)COCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000684741184 550087303 /nfs/dbraw/zinc/08/73/03/550087303.db2.gz NLLBSNBCVFCCKQ-HOTGVXAUSA-N -1 0 332.400 2.579 20 30 EFEDRM Cc1ccc(C(C)C)c2c1C(=NNc1nnc(C)c(=O)[n-]1)CCO2 ZINC000753919619 575359449 /nfs/dbraw/zinc/35/94/49/575359449.db2.gz YYPUVQZKIYJXKT-UHFFFAOYSA-N -1 0 327.388 2.916 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000753998240 575373197 /nfs/dbraw/zinc/37/31/97/575373197.db2.gz DNFDSQXDYGZZNO-KBPBESRZSA-N -1 0 348.468 2.972 20 30 EFEDRM C#C[C@@H](CC)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000754358306 575424484 /nfs/dbraw/zinc/42/44/84/575424484.db2.gz XGKQNAFBUQKYOA-JTQLQIEISA-N -1 0 337.301 2.738 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754708651 575474874 /nfs/dbraw/zinc/47/48/74/575474874.db2.gz FHKSUCUJDLFJCW-UHFFFAOYSA-N -1 0 341.249 2.945 20 30 EFEDRM Cn1c(=O)oc2cc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)ccc21 ZINC000754901198 575511284 /nfs/dbraw/zinc/51/12/84/575511284.db2.gz PLWOMPHXTJXQQT-UHFFFAOYSA-N -1 0 345.742 2.929 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(Br)c(Cl)c2)[n-]c1=O ZINC000754912103 575512803 /nfs/dbraw/zinc/51/28/03/575512803.db2.gz UTBSZBILBVCHDE-UHFFFAOYSA-N -1 0 342.584 2.748 20 30 EFEDRM CCCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000755148093 575550960 /nfs/dbraw/zinc/55/09/60/575550960.db2.gz UUHSLLPTJJSLLN-UHFFFAOYSA-N -1 0 332.404 2.835 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000755339865 575576177 /nfs/dbraw/zinc/57/61/77/575576177.db2.gz YCGMTJHAFMYPOK-UHFFFAOYSA-N -1 0 335.281 2.752 20 30 EFEDRM CCCCCCCCCNC(=O)c1coc(S(=O)(=O)NC)c1 ZINC000755451802 575588084 /nfs/dbraw/zinc/58/80/84/575588084.db2.gz GNLZUSJMUPTVMY-UHFFFAOYSA-N -1 0 330.450 2.668 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2cc(C(=O)[O-])cs2)c1 ZINC000755507105 575593753 /nfs/dbraw/zinc/59/37/53/575593753.db2.gz AUWIENJVLYJVLJ-UHFFFAOYSA-N -1 0 335.410 2.775 20 30 EFEDRM COc1cc(F)cc(NN=Cc2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000755769587 575630416 /nfs/dbraw/zinc/63/04/16/575630416.db2.gz OUBAMXWJPRFXIM-UHFFFAOYSA-N -1 0 348.330 2.752 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000756092184 575682882 /nfs/dbraw/zinc/68/28/82/575682882.db2.gz BHQWKEPOGYFQLW-UHFFFAOYSA-N -1 0 339.457 2.673 20 30 EFEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cc1 ZINC000756097418 575683627 /nfs/dbraw/zinc/68/36/27/575683627.db2.gz USCZKYZZLVTTCD-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)OCC ZINC000756502885 575749976 /nfs/dbraw/zinc/74/99/76/575749976.db2.gz ZJTBBPFNOMWSFC-ZDUSSCGKSA-N -1 0 331.821 2.516 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1)OCC ZINC000756505444 575750747 /nfs/dbraw/zinc/75/07/47/575750747.db2.gz RRRMTSBQVIPHHT-MRXNPFEDSA-N -1 0 339.457 2.815 20 30 EFEDRM COc1cccc(C=NNc2ccc(C(=O)[O-])cc2OC)c1OC ZINC000756899113 575798527 /nfs/dbraw/zinc/79/85/27/575798527.db2.gz QNHIXOVDGNCIGN-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(OCC#N)c1 ZINC000756901461 575798796 /nfs/dbraw/zinc/79/87/96/575798796.db2.gz QYIIBKMPHFPHEO-UHFFFAOYSA-N -1 0 325.324 2.742 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc2c(c1)OCCO2 ZINC000756901706 575798843 /nfs/dbraw/zinc/79/88/43/575798843.db2.gz XEYOPMXCUZJIIG-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)c(OC)c1 ZINC000756900981 575798902 /nfs/dbraw/zinc/79/89/02/575798902.db2.gz FRWCMAPZSQGPMN-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCC1 ZINC000757315108 575837286 /nfs/dbraw/zinc/83/72/86/575837286.db2.gz QKVOCPHIHUFUFB-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1ccc(O)cc1[O-] ZINC000757467692 575839812 /nfs/dbraw/zinc/83/98/12/575839812.db2.gz KAJYLYWNHQEWNI-QHHAFSJGSA-N -1 0 325.299 2.714 20 30 EFEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1 ZINC000757468890 575840097 /nfs/dbraw/zinc/84/00/97/575840097.db2.gz YZQSYGWZDNVBGW-XQRVVYSFSA-N -1 0 328.320 2.847 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)c([O-])c1 ZINC000757471397 575840152 /nfs/dbraw/zinc/84/01/52/575840152.db2.gz DGYPYVMADPAWLA-DAXSKMNVSA-N -1 0 325.368 2.687 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(C=NNC2CCOCC2)cc1 ZINC000757591489 575843770 /nfs/dbraw/zinc/84/37/70/575843770.db2.gz RRALZDGVLDMOOQ-UHFFFAOYSA-N -1 0 344.367 2.659 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000757611707 575845201 /nfs/dbraw/zinc/84/52/01/575845201.db2.gz IFNWRFWTAHMXDH-SFHVURJKSA-N -1 0 345.402 2.968 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccc3c(=O)[nH]c(=S)[n-]c3c1)CC2 ZINC000757918417 575855736 /nfs/dbraw/zinc/85/57/36/575855736.db2.gz GHUHZCZLAPSUBI-UHFFFAOYSA-N -1 0 348.387 2.699 20 30 EFEDRM CCC(N=Nc1ccc(C(=O)OC)cn1)c1ccc(C(=O)[O-])cc1 ZINC000758139267 575860936 /nfs/dbraw/zinc/86/09/36/575860936.db2.gz GKERQBWLHHRNRX-UHFFFAOYSA-N -1 0 327.340 2.793 20 30 EFEDRM COC(=O)[C@@H](C)Oc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000758372349 575867997 /nfs/dbraw/zinc/86/79/97/575867997.db2.gz QCVFGOXQVKWCJL-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000758475149 575870609 /nfs/dbraw/zinc/87/06/09/575870609.db2.gz CGOURRFBGLPUJX-UHFFFAOYSA-N -1 0 347.714 2.843 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000758524731 575871567 /nfs/dbraw/zinc/87/15/67/575871567.db2.gz SQMHCOPIGCOSIN-UHFFFAOYSA-N -1 0 338.816 2.785 20 30 EFEDRM C#CCCCCNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000758627136 575874386 /nfs/dbraw/zinc/87/43/86/575874386.db2.gz VGHDOUZXTLNEIE-UHFFFAOYSA-N -1 0 344.436 2.745 20 30 EFEDRM CCO[C@@H]1COCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758814490 575877806 /nfs/dbraw/zinc/87/78/06/575877806.db2.gz HCFISDLRGINLPN-SKBWUFJXSA-N -1 0 328.752 2.567 20 30 EFEDRM COc1cc2c(cc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-])OCO2 ZINC000758929605 575880506 /nfs/dbraw/zinc/88/05/06/575880506.db2.gz DFISTHKGBIFEPE-DUXPYHPUSA-N -1 0 343.291 2.934 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000759074285 575884063 /nfs/dbraw/zinc/88/40/63/575884063.db2.gz UGBAHPOFHYDORJ-DUXPYHPUSA-N -1 0 326.139 2.566 20 30 EFEDRM CCc1c2ccccc2oc1C(=O)/C=C/c1cn(CC(=O)[O-])nn1 ZINC000759075254 575884142 /nfs/dbraw/zinc/88/41/42/575884142.db2.gz KLYMEQLAYLUWFM-BQYQJAHWSA-N -1 0 325.324 2.567 20 30 EFEDRM O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088511 575884295 /nfs/dbraw/zinc/88/42/95/575884295.db2.gz AURBDCHERAEOEY-HWKANZROSA-N -1 0 340.339 2.587 20 30 EFEDRM O=C(/C=C/c1cn(-c2ccccc2)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090156 575884369 /nfs/dbraw/zinc/88/43/69/575884369.db2.gz JMJOXLHODJAQTN-SOFGYWHQSA-N -1 0 336.307 2.777 20 30 EFEDRM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1ncccc1[N+](=O)[O-] ZINC000759201445 575886878 /nfs/dbraw/zinc/88/68/78/575886878.db2.gz OOPXBQRLTJLUBB-UHFFFAOYSA-N -1 0 335.682 2.551 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CC1 ZINC000759234870 575887397 /nfs/dbraw/zinc/88/73/97/575887397.db2.gz BTAJQOITDPJDKW-ZDUSSCGKSA-N -1 0 330.384 2.890 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000759496726 575893212 /nfs/dbraw/zinc/89/32/12/575893212.db2.gz DCLZEMZCTBIVPF-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCC)cc1OCCC ZINC000759616755 575910017 /nfs/dbraw/zinc/91/00/17/575910017.db2.gz XFWHDIGLAVYULP-UHFFFAOYSA-N -1 0 341.429 2.510 20 30 EFEDRM CC(C)(C)n1ccnc1SCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000759718482 575925845 /nfs/dbraw/zinc/92/58/45/575925845.db2.gz XWVJPRLCWRKRNH-UHFFFAOYSA-N -1 0 330.413 2.946 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000759718351 575925946 /nfs/dbraw/zinc/92/59/46/575925946.db2.gz UOUFGCWSHNRWCG-KRWDZBQOSA-N -1 0 332.363 2.743 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000760103813 575980615 /nfs/dbraw/zinc/98/06/15/575980615.db2.gz NSMULMMIMWMJOR-UHFFFAOYSA-N -1 0 344.820 2.525 20 30 EFEDRM N#Cc1nc(NC(=O)CCSc2ccc(Cl)cc2)[n-]c1C#N ZINC000760137175 575983294 /nfs/dbraw/zinc/98/32/94/575983294.db2.gz HTTILXPAGQUBQY-UHFFFAOYSA-N -1 0 331.788 2.927 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000760207347 575991124 /nfs/dbraw/zinc/99/11/24/575991124.db2.gz UTBDTOFJKHMEOI-CQSZACIVSA-N -1 0 342.326 2.925 20 30 EFEDRM CCCCCN1c2ccccc2C(=N[N-]c2ncc(F)cn2)C1=O ZINC000760254205 575996122 /nfs/dbraw/zinc/99/61/22/575996122.db2.gz MGIHFMSIJWMYOG-UHFFFAOYSA-N -1 0 327.363 2.969 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1 ZINC000761028661 576102375 /nfs/dbraw/zinc/10/23/75/576102375.db2.gz ZICOGMQAXUJINJ-AWEZNQCLSA-N -1 0 330.409 2.767 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000761289128 576140631 /nfs/dbraw/zinc/14/06/31/576140631.db2.gz OITXQQNMFUYHAG-ZDUSSCGKSA-N -1 0 349.433 2.798 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000761288423 576140710 /nfs/dbraw/zinc/14/07/10/576140710.db2.gz CHRCDTODZOTHER-HNNXBMFYSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccccc1 ZINC000761288774 576140754 /nfs/dbraw/zinc/14/07/54/576140754.db2.gz FNGCXIQDTHIAGN-CQSZACIVSA-N -1 0 347.392 2.638 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000761294180 576141540 /nfs/dbraw/zinc/14/15/40/576141540.db2.gz WCVYMVDQLQYNKO-HNNXBMFYSA-N -1 0 347.367 2.567 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnc(C2CC2)s1 ZINC000761804514 576213618 /nfs/dbraw/zinc/21/36/18/576213618.db2.gz PLLMZLNMRVAYDO-UHFFFAOYSA-N -1 0 328.422 2.901 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761974629 576235843 /nfs/dbraw/zinc/23/58/43/576235843.db2.gz DABRELFWCGPRCG-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc(C#N)s2)ccc1OCC(=O)[O-] ZINC000762448393 576303452 /nfs/dbraw/zinc/30/34/52/576303452.db2.gz WGUSFISQDRSVKE-GORDUTHDSA-N -1 0 343.360 2.988 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]c1C1CC1 ZINC000762575116 576314376 /nfs/dbraw/zinc/31/43/76/576314376.db2.gz GBXSEHCDIGRVBS-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cnn(CC(F)(F)F)c2)c1 ZINC000763095357 576361177 /nfs/dbraw/zinc/36/11/77/576361177.db2.gz CUGCPIVRRNWMBU-UBKPWBPPSA-N -1 0 328.250 2.678 20 30 EFEDRM COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)c(OC)cc1O ZINC000763101953 576361556 /nfs/dbraw/zinc/36/15/56/576361556.db2.gz SPGSMBOWQYIDNA-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Br)ccc1F ZINC000763141747 576364145 /nfs/dbraw/zinc/36/41/45/576364145.db2.gz WFFZCHDSYIUPQD-UHFFFAOYSA-N -1 0 340.156 2.623 20 30 EFEDRM COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OC(F)F ZINC000763367666 576374442 /nfs/dbraw/zinc/37/44/42/576374442.db2.gz FXFGRBNZITZYQR-UHFFFAOYSA-N -1 0 337.282 2.836 20 30 EFEDRM COCCC(Cc1cccc(F)c1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763368336 576374502 /nfs/dbraw/zinc/37/45/02/576374502.db2.gz MEJJHKXXDXSAJZ-UHFFFAOYSA-N -1 0 331.347 2.966 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cc(O)ccc2Br)nc1 ZINC000763368999 576374549 /nfs/dbraw/zinc/37/45/49/576374549.db2.gz DNORLLXNVKHGJD-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2Cc3ccccc3C2)n1 ZINC000763380592 576375132 /nfs/dbraw/zinc/37/51/32/576375132.db2.gz ODPCEFLKKQQCFO-OAHLLOKOSA-N -1 0 340.404 2.586 20 30 EFEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2s1 ZINC000763939847 576412906 /nfs/dbraw/zinc/41/29/06/576412906.db2.gz CIRRWBOHMKWYBQ-ZDUSSCGKSA-N -1 0 327.409 2.986 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1cccc(C(=O)[O-])c1 ZINC000764692119 576489142 /nfs/dbraw/zinc/48/91/42/576489142.db2.gz JNJBNTUUQFAARU-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CCC(C)CC1 ZINC000764791811 576504250 /nfs/dbraw/zinc/50/42/50/576504250.db2.gz WGBIPSOQDQSJRG-JXQTWKCFSA-N -1 0 328.478 2.835 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765075830 577004063 /nfs/dbraw/zinc/00/40/63/577004063.db2.gz XFASMRVRLXBWQS-UHFFFAOYSA-N -1 0 345.380 2.979 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1ccccc1[N+](=O)[O-] ZINC000765543146 577052961 /nfs/dbraw/zinc/05/29/61/577052961.db2.gz MVYWBYFMQNGPLP-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNC(=S)Nc3ccccc3)[nH]nc2c1 ZINC000765552014 577053601 /nfs/dbraw/zinc/05/36/01/577053601.db2.gz CDEDCLTUDPQYRG-UHFFFAOYSA-N -1 0 339.380 2.582 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766244094 577125973 /nfs/dbraw/zinc/12/59/73/577125973.db2.gz TWWLCFLNPBFQHA-LBPRGKRZSA-N -1 0 346.408 2.873 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)ccc1C#N ZINC000766547267 577164792 /nfs/dbraw/zinc/16/47/92/577164792.db2.gz ITJZIRUMTRMJGG-CYBMUJFWSA-N -1 0 341.392 2.958 20 30 EFEDRM Cc1nc(SCC(=O)[N-]OCC(F)(F)F)c(C#N)c(C)c1C ZINC000766762744 577181046 /nfs/dbraw/zinc/18/10/46/577181046.db2.gz PIIIEEAHUJZCDH-UHFFFAOYSA-N -1 0 333.335 2.581 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1 ZINC000766839691 577184440 /nfs/dbraw/zinc/18/44/40/577184440.db2.gz BZXCJSGXQZYSIH-LLVKDONJSA-N -1 0 337.807 2.763 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766895796 577186978 /nfs/dbraw/zinc/18/69/78/577186978.db2.gz IKUFOWVGZCGQHQ-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766986846 577190929 /nfs/dbraw/zinc/19/09/29/577190929.db2.gz LALDDGKFYMEACU-UHFFFAOYSA-N -1 0 338.429 2.588 20 30 EFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F ZINC000767602294 577217766 /nfs/dbraw/zinc/21/77/66/577217766.db2.gz DPVFCUHBBCDJPB-PELKAZGASA-N -1 0 338.326 2.953 20 30 EFEDRM Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc(C)c1O ZINC000725858712 577253370 /nfs/dbraw/zinc/25/33/70/577253370.db2.gz FJPSQSVJYVLSPY-UHFFFAOYSA-N -1 0 325.393 2.890 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000768127141 577255933 /nfs/dbraw/zinc/25/59/33/577255933.db2.gz ZPOSVEDWYMKETO-UHFFFAOYSA-N -1 0 344.436 2.866 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000768279228 577263980 /nfs/dbraw/zinc/26/39/80/577263980.db2.gz HZXOHKGXYNSVLX-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM CCCOc1ccc2[nH]cc(C=NNc3nnc(C)c(=O)[n-]3)c2c1 ZINC000768349131 577267873 /nfs/dbraw/zinc/26/78/73/577267873.db2.gz GHPRRPAEJHHUGT-UHFFFAOYSA-N -1 0 326.360 2.602 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1cc(C#N)cc(Cl)n1)O2 ZINC000768382047 577270473 /nfs/dbraw/zinc/27/04/73/577270473.db2.gz PKZRABIXLVGLNE-UHFFFAOYSA-N -1 0 328.715 2.621 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)nn1 ZINC000768850013 577309729 /nfs/dbraw/zinc/30/97/29/577309729.db2.gz WTGPENFKALUCMQ-NSCUHMNNSA-N -1 0 331.715 2.658 20 30 EFEDRM COc1ccc(C(=O)[O-])c(OCCOc2ccc(C#N)cc2OC)c1 ZINC000737948239 577309735 /nfs/dbraw/zinc/30/97/35/577309735.db2.gz OEDVLTJKHAJLLU-UHFFFAOYSA-N -1 0 343.335 2.731 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](F)c2ccccc2)n1 ZINC000769170430 577341300 /nfs/dbraw/zinc/34/13/00/577341300.db2.gz XTOLMNMUNKNSSY-TZMCWYRMSA-N -1 0 332.356 2.882 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1nnnn1CC1CC1 ZINC000769718865 577380955 /nfs/dbraw/zinc/38/09/55/577380955.db2.gz VJSIYVQXFJYCNI-FZSIALSZSA-N -1 0 326.187 2.715 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2-n2cncn2)s1 ZINC000726743512 577382734 /nfs/dbraw/zinc/38/27/34/577382734.db2.gz KQULKBROTOUZHU-AATRIKPKSA-N -1 0 325.349 2.923 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)n(CCC#N)n1 ZINC000769866728 577389909 /nfs/dbraw/zinc/38/99/09/577389909.db2.gz WYXUETZFQYBXCL-UHFFFAOYSA-N -1 0 347.375 2.526 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NNc2c(F)cccc2Cl)c(F)c1 ZINC000769893775 577392199 /nfs/dbraw/zinc/39/21/99/577392199.db2.gz OHMOYHNJVXXTDP-UHFFFAOYSA-N -1 0 343.742 2.795 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000738320888 577395762 /nfs/dbraw/zinc/39/57/62/577395762.db2.gz VCAFYYVWMVAWCY-CQSZACIVSA-N -1 0 339.395 2.765 20 30 EFEDRM Cc1cc(CON=C(N)c2nccc3ccccc32)oc1C(=O)[O-] ZINC000738394062 577428314 /nfs/dbraw/zinc/42/83/14/577428314.db2.gz DCQUCDBMGCSOON-UHFFFAOYSA-N -1 0 325.324 2.672 20 30 EFEDRM C[C@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000737702470 577430868 /nfs/dbraw/zinc/43/08/68/577430868.db2.gz ALUJABFVIUTPNU-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM CCc1nn(C)cc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000770572888 581111867 /nfs/dbraw/zinc/11/18/67/581111867.db2.gz MXCKKQNFHDWBBH-BCPZQOPPSA-N -1 0 328.368 2.731 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc(Oc2ccccc2)c1 ZINC000770872087 581144132 /nfs/dbraw/zinc/14/41/32/581144132.db2.gz RCDJWKNKWZOBPX-HNNXBMFYSA-N -1 0 346.346 2.813 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000770877805 581144764 /nfs/dbraw/zinc/14/47/64/581144764.db2.gz UIVIJQGHXCCDTB-JTQLQIEISA-N -1 0 325.349 2.947 20 30 EFEDRM Cc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1C ZINC000771060449 581170086 /nfs/dbraw/zinc/17/00/86/581170086.db2.gz XMAVPSZTEVRMJJ-UHFFFAOYSA-N -1 0 345.424 2.538 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771073927 581171706 /nfs/dbraw/zinc/17/17/06/581171706.db2.gz HOLVOVFDTAIOEZ-HNNXBMFYSA-N -1 0 334.441 2.710 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(-c3ccoc3)c2)CCC1 ZINC000771074334 581171723 /nfs/dbraw/zinc/17/17/23/581171723.db2.gz KRJXSOSGCJADHO-UHFFFAOYSA-N -1 0 344.392 2.700 20 30 EFEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C(C)C ZINC000771079702 581172580 /nfs/dbraw/zinc/17/25/80/581172580.db2.gz WYXPOSRGFVABGW-AWEZNQCLSA-N -1 0 328.478 2.979 20 30 EFEDRM Cc1cc(COc2ccc(C=NNC[C@@H](C)C#N)cc2)oc1C(=O)[O-] ZINC000771104890 581175778 /nfs/dbraw/zinc/17/57/78/581175778.db2.gz WMBNWGURQKPOQU-LBPRGKRZSA-N -1 0 341.367 2.948 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)cc2C)n1 ZINC000771404211 581208287 /nfs/dbraw/zinc/20/82/87/581208287.db2.gz FSZHRIYONHJDCE-CYBMUJFWSA-N -1 0 332.356 2.932 20 30 EFEDRM C=CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC000771555945 581222544 /nfs/dbraw/zinc/22/25/44/581222544.db2.gz KKCIMISJSSJFHU-UHFFFAOYSA-N -1 0 343.452 2.957 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=C2CCSCC2)n1 ZINC000772137513 581287346 /nfs/dbraw/zinc/28/73/46/581287346.db2.gz SPODQBYPLUEXQH-LBPRGKRZSA-N -1 0 336.438 2.624 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1ccco1 ZINC000772720419 581359721 /nfs/dbraw/zinc/35/97/21/581359721.db2.gz LXEURKHDZVUVGB-UHFFFAOYSA-N -1 0 337.422 2.818 20 30 EFEDRM CC(C)c1nccnc1N=NCc1ccc(OCCC(=O)[O-])cc1 ZINC000773089914 581395768 /nfs/dbraw/zinc/39/57/68/581395768.db2.gz BMCWXTMQJDAEDG-UHFFFAOYSA-N -1 0 328.372 2.900 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1(F)CCCC1 ZINC000773988170 581477111 /nfs/dbraw/zinc/47/71/11/581477111.db2.gz JCDPZOPQJMPRFW-GFCCVEGCSA-N -1 0 348.374 2.982 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cccnc2Br)c1 ZINC000774082145 581482311 /nfs/dbraw/zinc/48/23/11/581482311.db2.gz OPFVDKCBLVQUEK-UHFFFAOYSA-N -1 0 332.157 2.603 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2cc(Cl)c3ccccc3c2O)c1=O ZINC000774573989 581494452 /nfs/dbraw/zinc/49/44/52/581494452.db2.gz QSAFEKWIGMNKHZ-UHFFFAOYSA-N -1 0 346.799 2.630 20 30 EFEDRM COc1ccc(C)cc1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737974955 581506744 /nfs/dbraw/zinc/50/67/44/581506744.db2.gz ADDZQICXXJUQTQ-GOSISDBHSA-N -1 0 339.347 2.787 20 30 EFEDRM N#CC(=C([O-])c1sccc1-c1nn[nH]n1)c1nc2ccccc2o1 ZINC000737673300 599026973 /nfs/dbraw/zinc/02/69/73/599026973.db2.gz PFDOPDNUYQDROL-SECBINFHSA-N -1 0 336.336 2.559 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000818447813 597006946 /nfs/dbraw/zinc/00/69/46/597006946.db2.gz RUTLNBCPGMGVLV-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC000738503995 597049909 /nfs/dbraw/zinc/04/99/09/597049909.db2.gz WXVJTGDWACWKBE-MFKMUULPSA-N -1 0 347.396 2.542 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817675273 597121560 /nfs/dbraw/zinc/12/15/60/597121560.db2.gz IPTLZUHRDYOMMS-GFCCVEGCSA-N -1 0 334.347 2.556 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000819100683 597205114 /nfs/dbraw/zinc/20/51/14/597205114.db2.gz ZXZLPFXLZKCGDC-UHFFFAOYSA-N -1 0 339.298 2.679 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000238084678 597335705 /nfs/dbraw/zinc/33/57/05/597335705.db2.gz ACVIFKDDTMPQGA-UHFFFAOYSA-N -1 0 332.425 2.695 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000821340435 597362740 /nfs/dbraw/zinc/36/27/40/597362740.db2.gz ITWOMCOVEWPYAA-UHFFFAOYSA-N -1 0 335.363 2.745 20 30 EFEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)[O-] ZINC000818849257 597491537 /nfs/dbraw/zinc/49/15/37/597491537.db2.gz LBNOPNXSGXVNMQ-UHFFFAOYSA-N -1 0 325.324 2.865 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000819822477 597605589 /nfs/dbraw/zinc/60/55/89/597605589.db2.gz OCGFBSJZCUPZBN-YGRLFVJLSA-N -1 0 340.166 2.679 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000819810535 597607060 /nfs/dbraw/zinc/60/70/60/597607060.db2.gz CCWSWJRATROMEZ-QGZVFWFLSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000819821681 597608483 /nfs/dbraw/zinc/60/84/83/597608483.db2.gz JFANBMBDKQGFBI-LRDDRELGSA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccccc2F)n1 ZINC000819875467 597611484 /nfs/dbraw/zinc/61/14/84/597611484.db2.gz XGVDUYQAADGDSF-MRXNPFEDSA-N -1 0 348.355 2.997 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1cc(Cl)ccc1Cl ZINC000819866623 597620862 /nfs/dbraw/zinc/62/08/62/597620862.db2.gz YXHXQDFGWJCVII-AWEZNQCLSA-N -1 0 346.166 2.920 20 30 EFEDRM COc1ccc2cc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853326 597629356 /nfs/dbraw/zinc/62/93/56/597629356.db2.gz IUFNLBFYYRHJOB-LJQANCHMSA-N -1 0 340.379 2.811 20 30 EFEDRM Cc1cc(C)c(-c2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]2)cc1C ZINC000820963659 597636872 /nfs/dbraw/zinc/63/68/72/597636872.db2.gz JLVWFJPSOAJHFM-GOSISDBHSA-N -1 0 340.383 2.945 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000819842023 597641341 /nfs/dbraw/zinc/64/13/41/597641341.db2.gz HUXZPWTVZBRVMR-SFHVURJKSA-N -1 0 330.384 2.629 20 30 EFEDRM CC1CCN(c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)CC1 ZINC000820238245 597646460 /nfs/dbraw/zinc/64/64/60/597646460.db2.gz LQOBFTVTPAXRCD-IBGZPJMESA-N -1 0 343.427 2.544 20 30 EFEDRM CC(C)c1csc([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1 ZINC000820061566 597650239 /nfs/dbraw/zinc/65/02/39/597650239.db2.gz KUIQVGJBGGGYLN-PXAZEXFGSA-N -1 0 349.456 2.977 20 30 EFEDRM COc1cccc(C=C2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000820865358 597655839 /nfs/dbraw/zinc/65/58/39/597655839.db2.gz JLTCOLCTTQSATE-IBGZPJMESA-N -1 0 342.395 2.706 20 30 EFEDRM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNCCC(=O)[O-] ZINC000821216496 597739811 /nfs/dbraw/zinc/73/98/11/597739811.db2.gz DPCPFQIIMHSKHI-UHFFFAOYSA-N -1 0 334.807 2.600 20 30 EFEDRM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNCCC(=O)[O-])o1 ZINC000821052230 597742534 /nfs/dbraw/zinc/74/25/34/597742534.db2.gz KZEKFYNUXRUQAD-UHFFFAOYSA-N -1 0 338.367 2.839 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000819866064 597787820 /nfs/dbraw/zinc/78/78/20/597787820.db2.gz QZLNWKANBLGTDZ-INIZCTEOSA-N -1 0 329.381 2.677 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]2Cc2ccccc2)o1 ZINC000737468079 599285896 /nfs/dbraw/zinc/28/58/96/599285896.db2.gz YCASDOOPZSYCKU-CYBMUJFWSA-N -1 0 337.387 2.974 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000821324632 598032065 /nfs/dbraw/zinc/03/20/65/598032065.db2.gz KSKSJIOROWOZET-UHFFFAOYSA-N -1 0 342.330 2.867 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000819713297 598214471 /nfs/dbraw/zinc/21/44/71/598214471.db2.gz GNDVAWLRDMXXSE-UHFFFAOYSA-N -1 0 328.368 2.918 20 30 EFEDRM CCOc1ccc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2c1 ZINC000820387000 598221684 /nfs/dbraw/zinc/22/16/84/598221684.db2.gz INWUWJYTVNEBAV-HNNXBMFYSA-N -1 0 333.369 2.638 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC000820115611 598222535 /nfs/dbraw/zinc/22/25/35/598222535.db2.gz XWPZPTWUDLSGFO-YMTOWFKASA-N -1 0 339.189 2.631 20 30 EFEDRM Cc1nc(-c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)cs1 ZINC000821152553 598222992 /nfs/dbraw/zinc/22/29/92/598222992.db2.gz GHAYWACSGDGZKK-QGZVFWFLSA-N -1 0 343.408 2.739 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000819855263 598223134 /nfs/dbraw/zinc/22/31/34/598223134.db2.gz AHOIJPJVANCWLX-ZDUSSCGKSA-N -1 0 330.262 2.571 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000819875385 598223157 /nfs/dbraw/zinc/22/31/57/598223157.db2.gz WFVIPAHQXPVVRF-QGZVFWFLSA-N -1 0 326.308 2.784 20 30 EFEDRM COc1ccc2cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853868 598223498 /nfs/dbraw/zinc/22/34/98/598223498.db2.gz WDBWHKCMRXXOFV-SFHVURJKSA-N -1 0 327.336 2.896 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819976793 598223608 /nfs/dbraw/zinc/22/36/08/598223608.db2.gz DGXQTCABTMZZRU-GOSISDBHSA-N -1 0 327.384 2.547 20 30 EFEDRM CN(CCCOc1cccc(Cl)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820592280 598224855 /nfs/dbraw/zinc/22/48/55/598224855.db2.gz YENFDEQAVFZUPK-MRXNPFEDSA-N -1 0 338.791 2.572 20 30 EFEDRM Cc1nc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)oc1C ZINC000821152575 598224869 /nfs/dbraw/zinc/22/48/69/598224869.db2.gz GRCWRYHVGPYVER-KRWDZBQOSA-N -1 0 327.340 2.902 20 30 EFEDRM CCC[C@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820304848 598225912 /nfs/dbraw/zinc/22/59/12/598225912.db2.gz YXTDMZUOLKMHLK-QFYYESIMSA-N -1 0 335.429 2.991 20 30 EFEDRM CC(C)c1noc(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000820062014 598226268 /nfs/dbraw/zinc/22/62/68/598226268.db2.gz VQNPGUQECDCLFA-KRWDZBQOSA-N -1 0 342.355 2.803 20 30 EFEDRM Cc1cccc(C2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC2)c1 ZINC000821112281 598226428 /nfs/dbraw/zinc/22/64/28/598226428.db2.gz OMWHZNZZZBDXLO-SFHVURJKSA-N -1 0 328.412 2.928 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000819857612 598226708 /nfs/dbraw/zinc/22/67/08/598226708.db2.gz ZBCHRPLVBOHAIJ-GOSISDBHSA-N -1 0 339.351 2.604 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819927170 598226728 /nfs/dbraw/zinc/22/67/28/598226728.db2.gz FFTQPWJOXQGROO-KRWDZBQOSA-N -1 0 347.371 2.977 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820517564 598226845 /nfs/dbraw/zinc/22/68/45/598226845.db2.gz KTTHILDLEIBTNH-ZDUSSCGKSA-N -1 0 330.262 2.553 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cnc(-c2ccccc2)s1 ZINC000819874070 598227072 /nfs/dbraw/zinc/22/70/72/598227072.db2.gz GUDZTXVCWFAZJX-INIZCTEOSA-N -1 0 330.365 2.858 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000820114814 598227077 /nfs/dbraw/zinc/22/70/77/598227077.db2.gz QETMIIWEQOROSP-APPDUMDISA-N -1 0 343.408 2.992 20 30 EFEDRM COc1ccc2oc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c2c1 ZINC000820858538 598227110 /nfs/dbraw/zinc/22/71/10/598227110.db2.gz GGGZJIWQNPXLFW-ZMZPIMSZSA-N -1 0 344.367 2.932 20 30 EFEDRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820696855 598228236 /nfs/dbraw/zinc/22/82/36/598228236.db2.gz LYIDPQABWUBSCT-OOVXXXAESA-N -1 0 338.791 2.537 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(F)c1 ZINC000819847391 598228627 /nfs/dbraw/zinc/22/86/27/598228627.db2.gz LTACIAVCKRIKAA-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819914800 598229121 /nfs/dbraw/zinc/22/91/21/598229121.db2.gz GYWIWECYWGWYLL-SFHVURJKSA-N -1 0 346.383 2.514 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000819857425 598229145 /nfs/dbraw/zinc/22/91/45/598229145.db2.gz XIAWBGIKTSSYEP-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000820115408 598229469 /nfs/dbraw/zinc/22/94/69/598229469.db2.gz VTEJQHYNCVOLNL-ORAYPTAESA-N -1 0 337.379 2.930 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000820211948 598229770 /nfs/dbraw/zinc/22/97/70/598229770.db2.gz ORPHXRKIOBRQCH-RBUKOAKNSA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC000820160438 598229809 /nfs/dbraw/zinc/22/98/09/598229809.db2.gz DPOQTNPDJQBJQG-ABKXIKBNSA-N -1 0 349.774 2.835 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000819810390 598229873 /nfs/dbraw/zinc/22/98/73/598229873.db2.gz ANLRNFUVSRMWEP-SFHVURJKSA-N -1 0 330.359 2.836 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000819856684 598229985 /nfs/dbraw/zinc/22/99/85/598229985.db2.gz LUPALUWXYDRBKD-QGZVFWFLSA-N -1 0 340.339 2.557 20 30 EFEDRM CCCCN1CCc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc21 ZINC000820310818 598230510 /nfs/dbraw/zinc/23/05/10/598230510.db2.gz ISSOFHLMQLFRNC-SFHVURJKSA-N -1 0 329.400 2.792 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(OCC(C)C)cc2)o1 ZINC000737466737 598393376 /nfs/dbraw/zinc/39/33/76/598393376.db2.gz BPSNVOWRBSXWGN-UHFFFAOYSA-N -1 0 341.375 2.644 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000736715538 599717915 /nfs/dbraw/zinc/71/79/15/599717915.db2.gz ADOBSZPXEBMFNA-LBPRGKRZSA-N -1 0 343.358 2.872 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cn2)c1 ZINC000739140165 599720880 /nfs/dbraw/zinc/72/08/80/599720880.db2.gz PRESVLORKMSXIX-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM N#CCn1c(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC000739092039 599728756 /nfs/dbraw/zinc/72/87/56/599728756.db2.gz PBJWETFQHWZVSU-UHFFFAOYSA-N -1 0 347.374 2.836 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)nc1 ZINC000739107319 599732845 /nfs/dbraw/zinc/73/28/45/599732845.db2.gz WKCMOXFIXYTNJI-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000739087242 599781193 /nfs/dbraw/zinc/78/11/93/599781193.db2.gz GRCAVQYWEOAZIA-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000737433058 599796403 /nfs/dbraw/zinc/79/64/03/599796403.db2.gz KZKZINSCGZYGKI-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1F ZINC000737334034 599798628 /nfs/dbraw/zinc/79/86/28/599798628.db2.gz QAYXOFQQSCKFPV-UHFFFAOYSA-N -1 0 343.270 2.580 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000739133715 599798754 /nfs/dbraw/zinc/79/87/54/599798754.db2.gz MPGHCHBZBQONPB-IAGOWNOFSA-N -1 0 336.347 2.796 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)c1 ZINC000739133718 599798781 /nfs/dbraw/zinc/79/87/81/599798781.db2.gz MPGHCHBZBQONPB-SJORKVTESA-N -1 0 336.347 2.796 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1Cl ZINC000739132377 599802174 /nfs/dbraw/zinc/80/21/74/599802174.db2.gz MUYCTHLSCQKABR-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM C#Cc1cccc(NC(=S)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000736095223 599806072 /nfs/dbraw/zinc/80/60/72/599806072.db2.gz MVJOMMSXQJEGPW-UHFFFAOYSA-N -1 0 326.377 2.940 20 30 EFEDRM C#Cc1cccc(NC(=S)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000736095338 599806258 /nfs/dbraw/zinc/80/62/58/599806258.db2.gz QMMQHZSGTMUELB-UHFFFAOYSA-N -1 0 326.377 2.940 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)c1occc1COc1cccc(C#N)c1 ZINC000737432741 599808971 /nfs/dbraw/zinc/80/89/71/599808971.db2.gz DSPHJAIYTHLFHW-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc2ccccc21 ZINC000738425636 599810470 /nfs/dbraw/zinc/81/04/70/599810470.db2.gz OUPHFLCXBMGNAC-MRXNPFEDSA-N -1 0 347.374 2.591 20 30 EFEDRM C[C@H](CN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736575350 599815974 /nfs/dbraw/zinc/81/59/74/599815974.db2.gz LSBYXMSRXBKFQJ-GFCCVEGCSA-N -1 0 342.351 2.523 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738431943 599832821 /nfs/dbraw/zinc/83/28/21/599832821.db2.gz DCBJLEMPKXCWTK-QGZVFWFLSA-N -1 0 335.363 2.864 20 30 EFEDRM N#Cc1ccsc1C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739141936 599833358 /nfs/dbraw/zinc/83/33/58/599833358.db2.gz FOHSOFHHBXKXCV-UHFFFAOYSA-N -1 0 336.319 2.625 20 30 EFEDRM Cc1cccc(C[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C(=O)[O-])c1 ZINC000738708525 599854682 /nfs/dbraw/zinc/85/46/82/599854682.db2.gz WMFNUNPUDONXTN-AWEZNQCLSA-N -1 0 340.339 2.525 20 30 EFEDRM COc1ccccc1N=C1NN=C(c2cc(C(=O)[O-])co2)CS1 ZINC000738135290 599857743 /nfs/dbraw/zinc/85/77/43/599857743.db2.gz AHPXSDBEJKNGKL-UHFFFAOYSA-N -1 0 331.353 2.715 20 30 EFEDRM CCOc1ccc(/C=N\CCOc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000737198718 599886551 /nfs/dbraw/zinc/88/65/51/599886551.db2.gz FTTYSWBEICYZKS-UNOMPAQXSA-N -1 0 329.352 2.987 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)CSc1ccc(C#N)cc1 ZINC000737866787 599895415 /nfs/dbraw/zinc/89/54/15/599895415.db2.gz OKUDJCNNTFCEJW-UHFFFAOYSA-N -1 0 343.360 2.963 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000737471008 599906104 /nfs/dbraw/zinc/90/61/04/599906104.db2.gz VSRIWWORXKXTBD-UHFFFAOYSA-N -1 0 341.342 2.737 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000314424366 599907676 /nfs/dbraw/zinc/90/76/76/599907676.db2.gz FUZRLRQXZSCSSN-UHFFFAOYSA-N -1 0 336.394 2.555 20 30 EFEDRM N#C[C@H](NC(=O)CCSCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739074000 599919080 /nfs/dbraw/zinc/91/90/80/599919080.db2.gz GMKMWJYPVTZIJI-JTQLQIEISA-N -1 0 347.223 2.882 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000739129768 599931654 /nfs/dbraw/zinc/93/16/54/599931654.db2.gz CLYCOKKVYZKAJO-HNNXBMFYSA-N -1 0 336.347 2.897 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736076692 599935934 /nfs/dbraw/zinc/93/59/34/599935934.db2.gz KNYFHUZSPINRFL-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM C#CCN(C(=O)NCCOc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000736077094 599960500 /nfs/dbraw/zinc/96/05/00/599960500.db2.gz MKKUJJLCVXWORL-UHFFFAOYSA-N -1 0 344.411 2.741 20 30 EFEDRM O=C([O-])CSCCC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000739849946 599962395 /nfs/dbraw/zinc/96/23/95/599962395.db2.gz QEWFZYZQXFPIMN-UHFFFAOYSA-N -1 0 340.404 2.628 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(O[C@@H](C)C#N)cc2)C(C(=O)[O-])=C1C ZINC000736106840 599983617 /nfs/dbraw/zinc/98/36/17/599983617.db2.gz MOMGBPZLAASSBL-ZBEGNZNMSA-N -1 0 341.367 2.588 20 30 EFEDRM CCCCN1C(=O)N[C@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736993986 599983884 /nfs/dbraw/zinc/98/38/84/599983884.db2.gz MTPBXUJLQTTXNT-MRXNPFEDSA-N -1 0 343.383 2.814 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736881839 599984821 /nfs/dbraw/zinc/98/48/21/599984821.db2.gz CCMNXHRPGHAQIK-BDJLRTHQSA-N -1 0 343.383 2.812 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736107915 599997536 /nfs/dbraw/zinc/99/75/36/599997536.db2.gz AMTUHBCYDVKPMJ-GFCCVEGCSA-N -1 0 332.356 2.522 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736701291 600025913 /nfs/dbraw/zinc/02/59/13/600025913.db2.gz TVWOVMZQXDQILQ-GFCCVEGCSA-N -1 0 325.320 2.558 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000736095413 600055505 /nfs/dbraw/zinc/05/55/05/600055505.db2.gz VFHROBROCFSYGN-UHFFFAOYSA-N -1 0 327.365 2.588 20 30 EFEDRM N#Cc1cc(C#N)c(SCc2ccc(F)cc2C(=O)[O-])nc1N ZINC000739091971 600058275 /nfs/dbraw/zinc/05/82/75/600058275.db2.gz CWQWYKVCJRXUKV-UHFFFAOYSA-N -1 0 328.328 2.537 20 30 EFEDRM N#C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000739075232 600061246 /nfs/dbraw/zinc/06/12/46/600061246.db2.gz QRLZUSRTEDROCV-INIZCTEOSA-N -1 0 326.327 2.838 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2sccc2C#N)C(=O)[O-])c1 ZINC000738707143 600067805 /nfs/dbraw/zinc/06/78/05/600067805.db2.gz BBEUJRSDZQXNHR-CQSZACIVSA-N -1 0 328.393 2.602 20 30 EFEDRM CC[C@](NC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907750 600134289 /nfs/dbraw/zinc/13/42/89/600134289.db2.gz RYUKOXJYELYENM-HXUWFJFHSA-N -1 0 336.391 2.997 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccncc1 ZINC000736096068 600189823 /nfs/dbraw/zinc/18/98/23/600189823.db2.gz HNCADTVOCBYNQY-CABCVRRESA-N -1 0 329.400 2.595 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000739087276 600192352 /nfs/dbraw/zinc/19/23/52/600192352.db2.gz HDBHNIOSCWMTPS-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000738433514 600193237 /nfs/dbraw/zinc/19/32/37/600193237.db2.gz GSVDHRFSFNQTDX-INIZCTEOSA-N -1 0 330.384 2.573 20 30 EFEDRM CON=Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737840326 600195117 /nfs/dbraw/zinc/19/51/17/600195117.db2.gz XJJRTMIYSMJJPR-MRXNPFEDSA-N -1 0 326.352 2.565 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000739088664 600202469 /nfs/dbraw/zinc/20/24/69/600202469.db2.gz VHTAQOJZSNGOJQ-UHFFFAOYSA-N -1 0 338.363 2.787 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736772898 600258392 /nfs/dbraw/zinc/25/83/92/600258392.db2.gz JLQPIEBHRSSVFB-YJYMSZOUSA-N -1 0 339.395 2.928 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000737077697 600276590 /nfs/dbraw/zinc/27/65/90/600276590.db2.gz DTDQHJFEOMEJHD-JTQLQIEISA-N -1 0 347.396 2.626 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC1CCOCC1 ZINC000736114790 600280421 /nfs/dbraw/zinc/28/04/21/600280421.db2.gz RSEQHVQAZJCAIW-UHFFFAOYSA-N -1 0 334.368 2.844 20 30 EFEDRM C=CC1CCN(Cn2nc(C(=O)[O-])c(Br)c2C)CC1 ZINC000736097260 600280934 /nfs/dbraw/zinc/28/09/34/600280934.db2.gz ZKFXUBBFNZJVAK-UHFFFAOYSA-N -1 0 328.210 2.508 20 30 EFEDRM N#Cc1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739139058 600326850 /nfs/dbraw/zinc/32/68/50/600326850.db2.gz CPRDLNCBYPDXHC-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736674521 600326957 /nfs/dbraw/zinc/32/69/57/600326957.db2.gz ZBXGXXJJECAYLX-ZDUSSCGKSA-N -1 0 344.415 2.597 20 30 EFEDRM Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)sc1C(=O)[O-] ZINC000738238475 600369032 /nfs/dbraw/zinc/36/90/32/600369032.db2.gz VZBOCRYOHNLGNE-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000739088115 600369799 /nfs/dbraw/zinc/36/97/99/600369799.db2.gz PAIMZQWVAVNNGB-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1ccn(CCC#N)n1)C(=O)[O-] ZINC000736715242 600390835 /nfs/dbraw/zinc/39/08/35/600390835.db2.gz AWRABPWQTGAEJH-LLVKDONJSA-N -1 0 344.396 2.614 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000739121642 600398707 /nfs/dbraw/zinc/39/87/07/600398707.db2.gz UAGUMQZCQASQOE-HNNXBMFYSA-N -1 0 335.363 2.849 20 30 EFEDRM CC[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736849974 600400138 /nfs/dbraw/zinc/40/01/38/600400138.db2.gz CUOAYMGXGPDMGO-MRXNPFEDSA-N -1 0 344.392 2.617 20 30 EFEDRM CC(C)(C)[C@H]1CCc2sc(C(=O)N(CC#N)CC(=O)[O-])cc2C1 ZINC000736252870 600405459 /nfs/dbraw/zinc/40/54/59/600405459.db2.gz SCNAPNSIFQFEJF-LBPRGKRZSA-N -1 0 334.441 2.949 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736347195 600409196 /nfs/dbraw/zinc/40/91/96/600409196.db2.gz GDMISESSYWAYCP-HZPDHXFCSA-N -1 0 335.835 2.631 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000739077338 600409983 /nfs/dbraw/zinc/40/99/83/600409983.db2.gz MBZBWEJAEHHOHX-RJRFIUFISA-N -1 0 346.692 2.809 20 30 EFEDRM CN(CCCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)C(=O)[O-] ZINC000737415248 600459332 /nfs/dbraw/zinc/45/93/32/600459332.db2.gz HZRGUJWPZRQVKB-GFCCVEGCSA-N -1 0 344.396 2.771 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN(C(=O)[O-])CC1 ZINC000738434663 600498205 /nfs/dbraw/zinc/49/82/05/600498205.db2.gz ADFZHATUKRKXES-UHFFFAOYSA-N -1 0 332.310 2.939 20 30 EFEDRM Cc1nnc(-c2cccc(C#N)c2)n1CCOc1cccc(C(=O)[O-])c1 ZINC000738934781 600520830 /nfs/dbraw/zinc/52/08/30/600520830.db2.gz VXIZPYVKPYVCFD-UHFFFAOYSA-N -1 0 348.362 2.902 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000739103456 600567931 /nfs/dbraw/zinc/56/79/31/600567931.db2.gz AYSYPXAFTFUZJX-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cn1 ZINC000739106110 600572476 /nfs/dbraw/zinc/57/24/76/600572476.db2.gz PUCFAGOHURNRFF-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736764697 600586928 /nfs/dbraw/zinc/58/69/28/600586928.db2.gz VZTWNOSXWYAMLT-WULFKBJJSA-N -1 0 326.462 2.902 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736097312 600588485 /nfs/dbraw/zinc/58/84/85/600588485.db2.gz GLOOZVKUEDKNFY-UHFFFAOYSA-N -1 0 325.430 2.893 20 30 EFEDRM CN(C(=O)CSc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737326418 600592391 /nfs/dbraw/zinc/59/23/91/600592391.db2.gz ZCSHYWZDVXVDOH-KRWDZBQOSA-N -1 0 340.404 2.935 20 30 EFEDRM COCCOCc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737814400 600594541 /nfs/dbraw/zinc/59/45/41/600594541.db2.gz OISKADKXPRRCOH-GOSISDBHSA-N -1 0 340.379 2.959 20 30 EFEDRM COC(=O)[C@H](Nc1cccc(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737577265 600594599 /nfs/dbraw/zinc/59/45/99/600594599.db2.gz JEZODMRGMNPYNI-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000738693632 600603159 /nfs/dbraw/zinc/60/31/59/600603159.db2.gz VNYJFLGIIXFYAN-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)COc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739114922 600603622 /nfs/dbraw/zinc/60/36/22/600603622.db2.gz LNVKDXSSBWISKP-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM CCc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737267813 600603923 /nfs/dbraw/zinc/60/39/23/600603923.db2.gz LGJXEHIBDFRNTF-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000738639157 600603934 /nfs/dbraw/zinc/60/39/34/600603934.db2.gz OHHNAELURJMCQO-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(=O)[nH]c3ccccc32)C(=O)[O-])cc1 ZINC000739114939 600604432 /nfs/dbraw/zinc/60/44/32/600604432.db2.gz LSMZAHPZKLRUQA-QGZVFWFLSA-N -1 0 348.314 2.795 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737949059 600604808 /nfs/dbraw/zinc/60/48/08/600604808.db2.gz RTKYUWOILRSHQL-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)cc2N)C(=O)[O-])cc1 ZINC000739116061 600605633 /nfs/dbraw/zinc/60/56/33/600605633.db2.gz YPJWQGLKOYGIMQ-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccccc3c(=O)[nH]2)C(=O)[O-])cc1 ZINC000739115508 600606218 /nfs/dbraw/zinc/60/62/18/600606218.db2.gz RXPWERYRQNNXRC-MRXNPFEDSA-N -1 0 348.314 2.795 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738747603 600606778 /nfs/dbraw/zinc/60/67/78/600606778.db2.gz YLAQSPIJKVXSGK-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc3c(c2)CCC3)C(=O)[O-])cc1 ZINC000739115141 600608137 /nfs/dbraw/zinc/60/81/37/600608137.db2.gz NXZNTTYBVMDKCB-LJQANCHMSA-N -1 0 335.359 2.959 20 30 EFEDRM COCc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737834361 600608140 /nfs/dbraw/zinc/60/81/40/600608140.db2.gz RHOZDRDJWKIAJE-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(Cl)c2N)C(=O)[O-])cc1 ZINC000739114888 600609262 /nfs/dbraw/zinc/60/92/62/600609262.db2.gz LGLRNQCYBMYUAL-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])cc1 ZINC000739111703 600609943 /nfs/dbraw/zinc/60/99/43/600609943.db2.gz VYBDZOBHLVHIFJ-QZEKMECESA-N -1 0 332.315 2.812 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)COc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000739111901 600611324 /nfs/dbraw/zinc/61/13/24/600611324.db2.gz WBLFUHLBNLLVKT-INIZCTEOSA-N -1 0 347.273 2.584 20 30 EFEDRM CO[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737723785 600611721 /nfs/dbraw/zinc/61/17/21/600611721.db2.gz NYLRLXJHRSIIMB-JKSUJKDBSA-N -1 0 325.320 2.615 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])cc1 ZINC000739113769 600612002 /nfs/dbraw/zinc/61/20/02/600612002.db2.gz BGNUXMLTNUGPGW-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000739048911 600612949 /nfs/dbraw/zinc/61/29/49/600612949.db2.gz FIFJLYXFBCWOMX-OAHLLOKOSA-N -1 0 341.367 2.572 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(O)c1C ZINC000738546316 600612955 /nfs/dbraw/zinc/61/29/55/600612955.db2.gz SMRMKMJEUSLNQS-INIZCTEOSA-N -1 0 325.320 2.863 20 30 EFEDRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000738194846 600613819 /nfs/dbraw/zinc/61/38/19/600613819.db2.gz BWYPRADCVAYYMH-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000738194844 600613891 /nfs/dbraw/zinc/61/38/91/600613891.db2.gz BWYPRADCVAYYMH-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(NC3CC3)nc2)C(=O)[O-])cc1 ZINC000739113524 600614219 /nfs/dbraw/zinc/61/42/19/600614219.db2.gz AGYLUTILLJHOPF-INIZCTEOSA-N -1 0 337.335 2.510 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000739113992 600614442 /nfs/dbraw/zinc/61/44/42/600614442.db2.gz DUBOCEPKZZZNHO-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM CCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737282307 600615560 /nfs/dbraw/zinc/61/55/60/600615560.db2.gz WSEVBBRCOLMXOU-ZDUSSCGKSA-N -1 0 330.365 2.868 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738483385 600616036 /nfs/dbraw/zinc/61/60/36/600616036.db2.gz YPQUJRQNIMODMC-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736605342 600616658 /nfs/dbraw/zinc/61/66/58/600616658.db2.gz BTNBZFKTTOMGDB-CYBMUJFWSA-N -1 0 338.363 2.588 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cnc(C3CC3)s2)C(=O)[O-])cc1 ZINC000739118329 600617208 /nfs/dbraw/zinc/61/72/08/600617208.db2.gz QNBQEIWUTOFCRV-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc(NCc2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000739120694 600624121 /nfs/dbraw/zinc/62/41/21/600624121.db2.gz CCYXGMAQHHKERX-UHFFFAOYSA-N -1 0 327.296 2.542 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739076053 600632003 /nfs/dbraw/zinc/63/20/03/600632003.db2.gz XXKSYUPQHISRLY-OAHLLOKOSA-N -1 0 344.754 2.798 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)cs1 ZINC000822921958 607460310 /nfs/dbraw/zinc/46/03/10/607460310.db2.gz BHNNCADCIBZIRC-ARJAWSKDSA-N -1 0 344.327 2.662 20 30 EFEDRM N#CC1(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000739066893 600641714 /nfs/dbraw/zinc/64/17/14/600641714.db2.gz UOXIKNVLGRXSKR-KRWDZBQOSA-N -1 0 336.391 2.893 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736698205 600648567 /nfs/dbraw/zinc/64/85/67/600648567.db2.gz NZWNHAMMQDNCJT-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)nc1 ZINC000833072791 600666045 /nfs/dbraw/zinc/66/60/45/600666045.db2.gz ZDWAZTJZVVWQJS-UHFFFAOYSA-N -1 0 346.726 2.541 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NCCOc2ccc(C#N)cc2)c1OC ZINC000737858987 600680252 /nfs/dbraw/zinc/68/02/52/600680252.db2.gz RGMXLLSKOSYAII-UHFFFAOYSA-N -1 0 342.351 2.765 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736348642 600680451 /nfs/dbraw/zinc/68/04/51/600680451.db2.gz AZEFZUMFHRCXQM-SFHVURJKSA-N -1 0 331.416 2.515 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736348640 600680707 /nfs/dbraw/zinc/68/07/07/600680707.db2.gz AZEFZUMFHRCXQM-GOSISDBHSA-N -1 0 331.416 2.515 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825631961 600691720 /nfs/dbraw/zinc/69/17/20/600691720.db2.gz OCDMDQHGALZBNJ-MRXNPFEDSA-N -1 0 328.295 2.820 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738202933 600693606 /nfs/dbraw/zinc/69/36/06/600693606.db2.gz BVACBGXZHWJMRM-UHFFFAOYSA-N -1 0 345.380 2.782 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)c1 ZINC000833070965 600696859 /nfs/dbraw/zinc/69/68/59/600696859.db2.gz DORMTIFCFVAVOL-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832859279 600733196 /nfs/dbraw/zinc/73/31/96/600733196.db2.gz NQQRRKXAFZEJML-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000826871302 600738780 /nfs/dbraw/zinc/73/87/80/600738780.db2.gz SHRSPDNAADTDIR-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM C[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827665898 600764497 /nfs/dbraw/zinc/76/44/97/600764497.db2.gz XCFGZLHSCODGKB-ZDUSSCGKSA-N -1 0 337.379 2.859 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)ccc1C(=O)[O-] ZINC000832904443 600777551 /nfs/dbraw/zinc/77/75/51/600777551.db2.gz NPKOFRXBJRHXMP-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM N#Cc1ccc(-c2nnc(COc3ccc(CC(=O)[O-])cc3)o2)cc1 ZINC000833070695 600802046 /nfs/dbraw/zinc/80/20/46/600802046.db2.gz RNFZXPHRDZITRA-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC000833071157 600803483 /nfs/dbraw/zinc/80/34/83/600803483.db2.gz XXDBKIKKNMXWNX-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM C#CCOc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000736076126 600861924 /nfs/dbraw/zinc/86/19/24/600861924.db2.gz LFJWBSUSCAXQKE-HNNXBMFYSA-N -1 0 335.359 2.917 20 30 EFEDRM Cc1noc(C(F)F)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833019436 600869560 /nfs/dbraw/zinc/86/95/60/600869560.db2.gz LOTXVNGYWILQBK-NSHDSACASA-N -1 0 336.250 2.775 20 30 EFEDRM C/C(=C/C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825716818 600891085 /nfs/dbraw/zinc/89/10/85/600891085.db2.gz OYYUOVMWJIOZNK-YFHOEESVSA-N -1 0 326.274 2.545 20 30 EFEDRM Cc1nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)sc1SCC#N ZINC000833004279 600920787 /nfs/dbraw/zinc/92/07/87/600920787.db2.gz UGAGPKACKNSISJ-NXEZZACHSA-N -1 0 339.442 2.897 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000736404555 600921565 /nfs/dbraw/zinc/92/15/65/600921565.db2.gz QSXNCTJSUGVZAD-AWEZNQCLSA-N -1 0 327.384 2.642 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833065391 600924448 /nfs/dbraw/zinc/92/44/48/600924448.db2.gz AGXNEPDRPGQYJJ-QWHCGFSZSA-N -1 0 331.372 2.594 20 30 EFEDRM CCCCn1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]c1=O ZINC000737009097 600936161 /nfs/dbraw/zinc/93/61/61/600936161.db2.gz NWEFLJILZZYNBU-LBPRGKRZSA-N -1 0 332.385 2.573 20 30 EFEDRM CC(C)n1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1N(C)C ZINC000736532211 600937007 /nfs/dbraw/zinc/93/70/07/600937007.db2.gz CCYZYIVGNBHPLT-CYBMUJFWSA-N -1 0 345.428 2.715 20 30 EFEDRM Cc1nc(Cl)cc(N=NC(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000736124392 600946966 /nfs/dbraw/zinc/94/69/66/600946966.db2.gz BMWUYTLLAZYPEG-UHFFFAOYSA-N -1 0 334.763 2.738 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833070545 600951534 /nfs/dbraw/zinc/95/15/34/600951534.db2.gz LWZONZKUISBZPB-KGLIPLIRSA-N -1 0 338.367 2.573 20 30 EFEDRM N#Cc1ccc(NC(=O)CCSCC(=O)[O-])cc1C(F)(F)F ZINC000833073783 600975751 /nfs/dbraw/zinc/97/57/51/600975751.db2.gz ZCZSAOCPKWHARI-UHFFFAOYSA-N -1 0 332.303 2.723 20 30 EFEDRM C[C@@H](Sc1ccc(C#N)cc1F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736711700 600986276 /nfs/dbraw/zinc/98/62/76/600986276.db2.gz FVCUIDMHKNUMQS-SNVBAGLBSA-N -1 0 336.388 2.501 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000825636118 600989824 /nfs/dbraw/zinc/98/98/24/600989824.db2.gz CRLULLHWIPJUNF-SFHVURJKSA-N -1 0 340.354 2.503 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827680228 601004976 /nfs/dbraw/zinc/00/49/76/601004976.db2.gz ISRPPTUGOAXAKW-GFCCVEGCSA-N -1 0 339.351 2.904 20 30 EFEDRM CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000829697403 601012041 /nfs/dbraw/zinc/01/20/41/601012041.db2.gz MFACBEAAPOQOMK-NSHDSACASA-N -1 0 349.456 2.745 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000739139985 601038368 /nfs/dbraw/zinc/03/83/68/601038368.db2.gz OHCDQBREQGOKQJ-VMPITWQZSA-N -1 0 339.376 2.922 20 30 EFEDRM N#Cc1ccc(CC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000833071623 601080760 /nfs/dbraw/zinc/08/07/60/601080760.db2.gz HVUKDRJYWHVAAC-MSOLQXFVSA-N -1 0 340.423 2.983 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000825625753 601085511 /nfs/dbraw/zinc/08/55/11/601085511.db2.gz MVFIEOCQJUNCDY-CYBMUJFWSA-N -1 0 346.358 2.556 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000825631796 601098295 /nfs/dbraw/zinc/09/82/95/601098295.db2.gz MQTIVCKNLZHHMJ-LBPRGKRZSA-N -1 0 336.363 2.706 20 30 EFEDRM CCN(C(=O)CSc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000737060717 601125053 /nfs/dbraw/zinc/12/50/53/601125053.db2.gz RBUZWLGZKZYHID-UHFFFAOYSA-N -1 0 347.421 2.858 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000825671602 601167507 /nfs/dbraw/zinc/16/75/07/601167507.db2.gz WMSVLCVODVWTEH-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])c(Cl)c1 ZINC000833071725 601185063 /nfs/dbraw/zinc/18/50/63/601185063.db2.gz NWRALKYMIBHPFH-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000825705548 601186216 /nfs/dbraw/zinc/18/62/16/601186216.db2.gz LSSYLFVKQRZMOA-LSDHHAIUSA-N -1 0 347.411 2.908 20 30 EFEDRM COc1ccc(NC(=O)[C@H](C)ON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000832389063 601220832 /nfs/dbraw/zinc/22/08/32/601220832.db2.gz PMNZYZKHEXNNIX-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832858354 601226865 /nfs/dbraw/zinc/22/68/65/601226865.db2.gz CVQNMODTPJGMRI-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833039218 601235746 /nfs/dbraw/zinc/23/57/46/601235746.db2.gz ZTBBFDSRNDTVHU-RWMBFGLXSA-N -1 0 325.368 2.641 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832970395 601236602 /nfs/dbraw/zinc/23/66/02/601236602.db2.gz JAYMZHYPFGXKDG-VNHYZAJKSA-N -1 0 328.368 2.533 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833062965 601236960 /nfs/dbraw/zinc/23/69/60/601236960.db2.gz GANNGAJHQROLQU-GYSYKLTISA-N -1 0 348.786 2.878 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833062969 601236995 /nfs/dbraw/zinc/23/69/95/601236995.db2.gz GANNGAJHQROLQU-SUNKGSAMSA-N -1 0 348.786 2.878 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064591 601237094 /nfs/dbraw/zinc/23/70/94/601237094.db2.gz SSAGJKZMNGOKBV-SRVKXCTJSA-N -1 0 348.786 2.878 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)nc21 ZINC000832975569 601240172 /nfs/dbraw/zinc/24/01/72/601240172.db2.gz DGRMMNZLSOCXBN-FRRDWIJNSA-N -1 0 325.368 2.939 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737527975 601249662 /nfs/dbraw/zinc/24/96/62/601249662.db2.gz XBBJTGPSYKDUDY-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3cccc(F)c3C(=O)[O-])C2=O)cc1 ZINC000833073778 601265493 /nfs/dbraw/zinc/26/54/93/601265493.db2.gz YVFKDMAJEXXYCD-OAHLLOKOSA-N -1 0 339.326 2.613 20 30 EFEDRM N#Cc1cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)ccc1F ZINC000833069809 601265661 /nfs/dbraw/zinc/26/56/61/601265661.db2.gz RSNIGMXXYUYKEB-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000827454785 601281139 /nfs/dbraw/zinc/28/11/39/601281139.db2.gz DYWIXHQAGHLLMB-GFCCVEGCSA-N -1 0 328.393 2.983 20 30 EFEDRM O=C([O-])CSCc1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000833262921 601282740 /nfs/dbraw/zinc/28/27/40/601282740.db2.gz XNHOOOOTVKVEHB-UHFFFAOYSA-N -1 0 325.389 2.995 20 30 EFEDRM N#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000833065160 601286241 /nfs/dbraw/zinc/28/62/41/601286241.db2.gz UIKOFHBWRJPRBU-ZDUSSCGKSA-N -1 0 349.268 2.793 20 30 EFEDRM COc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000832025838 601297617 /nfs/dbraw/zinc/29/76/17/601297617.db2.gz FHFVPDXKAWHOQD-INIZCTEOSA-N -1 0 342.351 2.822 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833075927 601298009 /nfs/dbraw/zinc/29/80/09/601298009.db2.gz OMESEKMSLPPRDM-SFHVURJKSA-N -1 0 335.363 2.923 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833076123 601298810 /nfs/dbraw/zinc/29/88/10/601298810.db2.gz QHSYLNJSDPVMBD-GOSISDBHSA-N -1 0 335.363 2.923 20 30 EFEDRM COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1NC(C)=O ZINC000832408242 601299486 /nfs/dbraw/zinc/29/94/86/601299486.db2.gz ROCHCGWJOYMIFI-KRWDZBQOSA-N -1 0 339.351 2.763 20 30 EFEDRM COc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1NC(C)=O ZINC000832027197 601301190 /nfs/dbraw/zinc/30/11/90/601301190.db2.gz VHKZFHHCYVLIDS-KRWDZBQOSA-N -1 0 339.351 2.763 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc(N3CCOCC3)c2)C(=O)[O-])c1 ZINC000833075350 601302400 /nfs/dbraw/zinc/30/24/00/601302400.db2.gz KLUKHMVTOQNIBP-SFHVURJKSA-N -1 0 337.379 2.633 20 30 EFEDRM CN1c2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2CCC1=O ZINC000830901669 601303960 /nfs/dbraw/zinc/30/39/60/601303960.db2.gz JYIICDYGDRZENN-GOSISDBHSA-N -1 0 335.363 2.705 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])c1 ZINC000833074885 601306119 /nfs/dbraw/zinc/30/61/19/601306119.db2.gz GARXAKBCAYXRAP-ROUUACIJSA-N -1 0 338.363 2.964 20 30 EFEDRM CC(C)c1ncc2c(n1)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC000827158564 601316367 /nfs/dbraw/zinc/31/63/67/601316367.db2.gz LVBDBJIHISSTHT-KRWDZBQOSA-N -1 0 336.395 2.656 20 30 EFEDRM CN(Cc1nc2ccccc2n1C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830879753 601323683 /nfs/dbraw/zinc/32/36/83/601323683.db2.gz YXKDNQREEIAKOU-SFHVURJKSA-N -1 0 334.379 2.703 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)[nH]1 ZINC000833312637 601332177 /nfs/dbraw/zinc/33/21/77/601332177.db2.gz SANODITZTZQTMM-GORDUTHDSA-N -1 0 326.230 2.728 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(C#N)cc1 ZINC000832848842 601332489 /nfs/dbraw/zinc/33/24/89/601332489.db2.gz OCCBDMNGAJMALT-UITAMQMPSA-N -1 0 346.346 2.975 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)[nH]1 ZINC000749812263 601336261 /nfs/dbraw/zinc/33/62/61/601336261.db2.gz LETQWNOMMSTRSW-UHFFFAOYSA-N -1 0 347.787 2.796 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000825942376 601343275 /nfs/dbraw/zinc/34/32/75/601343275.db2.gz WBKJAKAJNZWTRO-INIZCTEOSA-N -1 0 340.335 2.689 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894882 601343927 /nfs/dbraw/zinc/34/39/27/601343927.db2.gz BTRLZAAQRVIBGR-WBMJQRKESA-N -1 0 325.320 2.695 20 30 EFEDRM Cc1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972279 601344414 /nfs/dbraw/zinc/34/44/14/601344414.db2.gz UXTCGOZHIDGFQN-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM COCc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831813022 601344858 /nfs/dbraw/zinc/34/48/58/601344858.db2.gz JVHBPVASUSFSDX-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832213007 601345796 /nfs/dbraw/zinc/34/57/96/601345796.db2.gz MFFSJSSRSHXRSS-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832972659 601346136 /nfs/dbraw/zinc/34/61/36/601346136.db2.gz JENHZUNZUSWGSB-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827879663 601348016 /nfs/dbraw/zinc/34/80/16/601348016.db2.gz VGYSDYIJBHCCRN-DYVFJYSZSA-N -1 0 339.347 2.832 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827879664 601348061 /nfs/dbraw/zinc/34/80/61/601348061.db2.gz VGYSDYIJBHCCRN-GUYCJALGSA-N -1 0 339.347 2.832 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nn1C(C)(C)C ZINC000832867743 601349438 /nfs/dbraw/zinc/34/94/38/601349438.db2.gz DDWBSCDSBWCXMW-OAHLLOKOSA-N -1 0 341.367 2.801 20 30 EFEDRM Cc1cc(C)n([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880525 601349470 /nfs/dbraw/zinc/34/94/70/601349470.db2.gz SHQHJEVLQHHXJB-DYVFJYSZSA-N -1 0 341.367 2.692 20 30 EFEDRM CCc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1O ZINC000830260214 601349531 /nfs/dbraw/zinc/34/95/31/601349531.db2.gz XQPYKPIRTFJDLN-INIZCTEOSA-N -1 0 325.320 2.809 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(N)cc2Cl)C(=O)[O-])c1 ZINC000833077057 601350509 /nfs/dbraw/zinc/35/05/09/601350509.db2.gz KUJFUNOIPFXQRF-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(NC3CC3)nc2)C(=O)[O-])c1 ZINC000833076089 601350639 /nfs/dbraw/zinc/35/06/39/601350639.db2.gz IPMHFJUFZVEMRV-INIZCTEOSA-N -1 0 337.335 2.510 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3c(c2)CCCN3)C(=O)[O-])c1 ZINC000833076902 601352387 /nfs/dbraw/zinc/35/23/87/601352387.db2.gz JGGRHSVAWKEARM-QGZVFWFLSA-N -1 0 336.347 2.899 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])c1 ZINC000833076079 601352520 /nfs/dbraw/zinc/35/25/20/601352520.db2.gz IJCTTYKSIXDSFQ-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3c(c2)CCCN3)C(=O)[O-])c1 ZINC000833076901 601352550 /nfs/dbraw/zinc/35/25/50/601352550.db2.gz JGGRHSVAWKEARM-KRWDZBQOSA-N -1 0 336.347 2.899 20 30 EFEDRM Cc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2n1 ZINC000832960270 601353145 /nfs/dbraw/zinc/35/31/45/601353145.db2.gz PYLWIBYCTWRQIL-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000833077317 601353239 /nfs/dbraw/zinc/35/32/39/601353239.db2.gz PEJKZEMKGIOWRA-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828245410 601353340 /nfs/dbraw/zinc/35/33/40/601353340.db2.gz JRKIBWZKPMRHBE-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@@H]1CCC[C@H](OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828245404 601353573 /nfs/dbraw/zinc/35/35/73/601353573.db2.gz JRKIBWZKPMRHBE-ISTRZQFTSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832213782 601354716 /nfs/dbraw/zinc/35/47/16/601354716.db2.gz RPIVXSYVVSUTDG-MRXNPFEDSA-N -1 0 325.320 2.858 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(N3CC=CC3)c2)C(=O)[O-])c1 ZINC000833076102 601355899 /nfs/dbraw/zinc/35/58/99/601355899.db2.gz IVFCQVOQKDZYPH-SFHVURJKSA-N -1 0 348.358 2.917 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCCCC(=O)[O-] ZINC000819051381 601358902 /nfs/dbraw/zinc/35/89/02/601358902.db2.gz LIMBITUPNLEVQU-UHFFFAOYSA-N -1 0 329.356 2.625 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833064112 601427806 /nfs/dbraw/zinc/42/78/06/601427806.db2.gz FIKNHPYZIBNLFO-WBVHZDCISA-N -1 0 335.363 2.692 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C=NOC)cc1 ZINC000830390248 601458561 /nfs/dbraw/zinc/45/85/61/601458561.db2.gz BVXRDGMDBYEJOG-UHFFFAOYSA-N -1 0 331.324 2.878 20 30 EFEDRM N#Cc1csc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000748662189 601481281 /nfs/dbraw/zinc/48/12/81/601481281.db2.gz QTSFOQWRECAVCX-BJMVGYQFSA-N -1 0 338.435 2.686 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000825631266 601486402 /nfs/dbraw/zinc/48/64/02/601486402.db2.gz ADLJANZBRBZYNE-UHFFFAOYSA-N -1 0 330.384 2.807 20 30 EFEDRM Cc1cc(C(=O)OCc2ccccc2C#N)cc(C)c1OCC(=O)[O-] ZINC000832869839 601500174 /nfs/dbraw/zinc/50/01/74/601500174.db2.gz PYUPAGKKDYTSQM-UHFFFAOYSA-N -1 0 339.347 2.996 20 30 EFEDRM Cc1cc(N2C[C@H](C(=O)[O-])[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000832889359 601564640 /nfs/dbraw/zinc/56/46/40/601564640.db2.gz QOXGTNYPMIWCSG-OCCSQVGLSA-N -1 0 334.379 2.825 20 30 EFEDRM N#Cc1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075410 601582927 /nfs/dbraw/zinc/58/29/27/601582927.db2.gz RABQZBLINNHGAV-MRXNPFEDSA-N -1 0 344.754 2.533 20 30 EFEDRM Cc1nc(Cl)sc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833000783 601591232 /nfs/dbraw/zinc/59/12/32/601591232.db2.gz OQDSUAPBYPAYPR-JTQLQIEISA-N -1 0 336.756 2.959 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000833071976 601605418 /nfs/dbraw/zinc/60/54/18/601605418.db2.gz KNHCNWSSRFFQIE-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])c1 ZINC000833077369 601607580 /nfs/dbraw/zinc/60/75/80/601607580.db2.gz QNEOSJXLQOMGAO-OAHLLOKOSA-N -1 0 342.257 2.691 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCCOc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000833068975 601607699 /nfs/dbraw/zinc/60/76/99/601607699.db2.gz RBHLBOVBPHJOKC-UHFFFAOYSA-N -1 0 347.273 2.770 20 30 EFEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)[O-] ZINC000827493605 601617907 /nfs/dbraw/zinc/61/79/07/601617907.db2.gz XKFAYZGRVROZSA-NSHDSACASA-N -1 0 340.339 2.588 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000827038455 601621201 /nfs/dbraw/zinc/62/12/01/601621201.db2.gz MSJSTQKMPNMWSD-CYBMUJFWSA-N -1 0 331.372 2.720 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833075330 601627194 /nfs/dbraw/zinc/62/71/94/601627194.db2.gz QODRPSBRZIBJII-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2cccc(F)c2)cc1F ZINC000833095938 601630868 /nfs/dbraw/zinc/63/08/68/601630868.db2.gz UXAPUWPWDQVFJB-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM CCCCC[C@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000829327121 601645896 /nfs/dbraw/zinc/64/58/96/601645896.db2.gz VIPFGJHAXMSWPG-AWEZNQCLSA-N -1 0 327.384 2.928 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c(F)c1 ZINC000833068665 601653504 /nfs/dbraw/zinc/65/35/04/601653504.db2.gz ISLNNHVPOWBBNZ-UHFFFAOYSA-N -1 0 342.261 2.663 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H]1CCCCO1 ZINC000825702845 601654401 /nfs/dbraw/zinc/65/44/01/601654401.db2.gz YPAOWANGSQWBKO-AWEZNQCLSA-N -1 0 334.368 2.987 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(F)c1 ZINC000833068530 601670108 /nfs/dbraw/zinc/67/01/08/601670108.db2.gz ANPOIDZXAUXELG-HONMWMINSA-N -1 0 334.322 2.694 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000833068528 601670122 /nfs/dbraw/zinc/67/01/22/601670122.db2.gz ANPOIDZXAUXELG-BPNCWPANSA-N -1 0 334.322 2.694 20 30 EFEDRM CC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000828976655 601676613 /nfs/dbraw/zinc/67/66/13/601676613.db2.gz ZZPLXZDFYVILAN-INIZCTEOSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864026 601689368 /nfs/dbraw/zinc/68/93/68/601689368.db2.gz ZXDONXWMURNZJS-CWTRNNRKSA-N -1 0 344.411 2.969 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1C(F)(F)F ZINC000833073532 601728610 /nfs/dbraw/zinc/72/86/10/601728610.db2.gz QLHHFODTBSQSDY-CYBMUJFWSA-N -1 0 345.252 2.608 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833071776 601736656 /nfs/dbraw/zinc/73/66/56/601736656.db2.gz IKZVYBPESGSKJN-KRWDZBQOSA-N -1 0 326.327 2.572 20 30 EFEDRM C=C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825653974 601758137 /nfs/dbraw/zinc/75/81/37/601758137.db2.gz YCAJRMNZYXYURD-ZCFIWIBFSA-N -1 0 331.141 2.982 20 30 EFEDRM CCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829809232 601789198 /nfs/dbraw/zinc/78/91/98/601789198.db2.gz VTFFFYXTKYFKBK-UHFFFAOYSA-N -1 0 338.367 2.739 20 30 EFEDRM COC(=O)c1cc(/C=C2\CC/C(=C\c3c[nH]c(C(=O)[O-])c3)C2=O)c[nH]1 ZINC000831248677 601791120 /nfs/dbraw/zinc/79/11/20/601791120.db2.gz ORAOVRURYNCNRA-QGVJZHQLSA-N -1 0 340.335 2.658 20 30 EFEDRM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000829869587 601791931 /nfs/dbraw/zinc/79/19/31/601791931.db2.gz APRUACZUFOWMCJ-WDZFZDKYSA-N -1 0 342.351 2.739 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c[nH]1 ZINC000833092518 601793500 /nfs/dbraw/zinc/79/35/00/601793500.db2.gz HRMQJPOPNBVKDV-LZCJLJQNSA-N -1 0 340.379 2.570 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000833073267 601807041 /nfs/dbraw/zinc/80/70/41/601807041.db2.gz KKUKCNWMRCTVSS-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833069101 601808160 /nfs/dbraw/zinc/80/81/60/601808160.db2.gz MIDKKBUCNHPCDC-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000825609024 601811766 /nfs/dbraw/zinc/81/17/66/601811766.db2.gz OLEXZOWBKFPAAN-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833075149 601821012 /nfs/dbraw/zinc/82/10/12/601821012.db2.gz MRWKZXBPWWZTHS-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1cc2ccccc2cc1C(=O)[O-] ZINC000829643300 601829143 /nfs/dbraw/zinc/82/91/43/601829143.db2.gz ZVLTWQKMRXZWEG-CYBMUJFWSA-N -1 0 339.395 2.958 20 30 EFEDRM CCN(CCC#N)C(=O)CNc1cc2ccccc2cc1C(=O)[O-] ZINC000829693110 601829157 /nfs/dbraw/zinc/82/91/57/601829157.db2.gz VPHXSYCGSXBQOJ-UHFFFAOYSA-N -1 0 325.368 2.712 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000314705870 601837642 /nfs/dbraw/zinc/83/76/42/601837642.db2.gz NFSFOWCNASQMBO-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000819713581 601879764 /nfs/dbraw/zinc/87/97/64/601879764.db2.gz UYNNNWFDMZYBEQ-MRXNPFEDSA-N -1 0 325.368 2.896 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000825705543 601890408 /nfs/dbraw/zinc/89/04/08/601890408.db2.gz LOPCNPCMHSBGQP-MRXNPFEDSA-N -1 0 348.428 2.614 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000833068111 601909458 /nfs/dbraw/zinc/90/94/58/601909458.db2.gz PTBOARLJZNIGEM-IAGOWNOFSA-N -1 0 344.411 2.671 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833068109 601909506 /nfs/dbraw/zinc/90/95/06/601909506.db2.gz PTBOARLJZNIGEM-DLBZAZTESA-N -1 0 344.411 2.671 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3cccs3)CC2)cc1 ZINC000833072634 601968568 /nfs/dbraw/zinc/96/85/68/601968568.db2.gz WJBDFFBELNERQX-INIZCTEOSA-N -1 0 327.409 2.568 20 30 EFEDRM N#CCN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833065918 601990381 /nfs/dbraw/zinc/99/03/81/601990381.db2.gz KZYUYCIIYCFXJS-UHFFFAOYSA-N -1 0 327.262 2.923 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000825631739 602042637 /nfs/dbraw/zinc/04/26/37/602042637.db2.gz LHWKAOBHEVFSRQ-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000794895109 602072496 /nfs/dbraw/zinc/07/24/96/602072496.db2.gz CGWZQKVIPOEIAN-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM CCc1nnc(NCc2ccc(OC)c(C(=O)[O-])c2)c(C#N)c1CC ZINC000830335266 602079056 /nfs/dbraw/zinc/07/90/56/602079056.db2.gz KKAUUTRUIHUAIW-UHFFFAOYSA-N -1 0 340.383 2.792 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000827311712 602093065 /nfs/dbraw/zinc/09/30/65/602093065.db2.gz WDIXSDBZGGFTJU-NSHDSACASA-N -1 0 325.324 2.795 20 30 EFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000831950007 602094958 /nfs/dbraw/zinc/09/49/58/602094958.db2.gz KUIYYCKSMMQYMP-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833013375 602110637 /nfs/dbraw/zinc/11/06/37/602110637.db2.gz LDUZIWUIQUWEJZ-PGJNLMOESA-N -1 0 328.368 2.785 20 30 EFEDRM N#Cc1cccc(-c2nnc(CNc3ccc(CNC(=O)[O-])cc3)o2)c1 ZINC000833073504 602129238 /nfs/dbraw/zinc/12/92/38/602129238.db2.gz CSCXTGBKBISCAV-UHFFFAOYSA-N -1 0 349.350 2.988 20 30 EFEDRM N#Cc1ccnc(Nc2cccc(CSCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000833076748 602130488 /nfs/dbraw/zinc/13/04/88/602130488.db2.gz OJCDFBGJNMMLNH-UHFFFAOYSA-N -1 0 344.352 2.923 20 30 EFEDRM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000827717451 602130790 /nfs/dbraw/zinc/13/07/90/602130790.db2.gz HWHKYGXDQIYSCE-ACJLOTCBSA-N -1 0 347.378 2.615 20 30 EFEDRM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000827717453 602131007 /nfs/dbraw/zinc/13/10/07/602131007.db2.gz HWHKYGXDQIYSCE-SCLBCKFNSA-N -1 0 347.378 2.615 20 30 EFEDRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC000830532833 602135376 /nfs/dbraw/zinc/13/53/76/602135376.db2.gz FFAAFKSAJVXYGJ-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)[nH]1 ZINC000833312034 602150202 /nfs/dbraw/zinc/15/02/02/602150202.db2.gz IAXVKPNXYMATAE-FNORWQNLSA-N -1 0 344.342 2.585 20 30 EFEDRM C=CCn1c(-c2cccs2)nn(CN(CC)CC(=O)[O-])c1=S ZINC000825705264 602191922 /nfs/dbraw/zinc/19/19/22/602191922.db2.gz AFZLAOUGAZNESH-UHFFFAOYSA-N -1 0 338.458 2.693 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000833071570 602241937 /nfs/dbraw/zinc/24/19/37/602241937.db2.gz JDLIXRODYXMOFY-HZPDHXFCSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cn1 ZINC000833072534 602261785 /nfs/dbraw/zinc/26/17/85/602261785.db2.gz UMFIBCFGSKKVPZ-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM C[C@@H](COc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827525005 602270708 /nfs/dbraw/zinc/27/07/08/602270708.db2.gz ODIBZOAFVYTTIV-SUMWQHHRSA-N -1 0 339.347 2.942 20 30 EFEDRM C[C@H](COc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827524997 602270781 /nfs/dbraw/zinc/27/07/81/602270781.db2.gz ODIBZOAFVYTTIV-CXAGYDPISA-N -1 0 339.347 2.942 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000827332961 602276865 /nfs/dbraw/zinc/27/68/65/602276865.db2.gz GDANUTARSLPANG-SEJMYLSOSA-N -1 0 345.395 2.521 20 30 EFEDRM COC(=O)c1cc(OCc2cc(F)ccc2C#N)cc(C(=O)[O-])c1 ZINC000831331238 602306240 /nfs/dbraw/zinc/30/62/40/602306240.db2.gz DLJBMTNBOFJAON-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM Cc1ccc(C#N)cc1OCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000832910457 602313668 /nfs/dbraw/zinc/31/36/68/602313668.db2.gz KVYGXRIHMRYDOR-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000832910477 602319596 /nfs/dbraw/zinc/31/95/96/602319596.db2.gz MAUGNAXTVGTNLF-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1nc2sccn2c1CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833006817 602325384 /nfs/dbraw/zinc/32/53/84/602325384.db2.gz HROBHINIBLDIHB-OAHLLOKOSA-N -1 0 340.408 2.834 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1Cl ZINC000833092405 602367349 /nfs/dbraw/zinc/36/73/49/602367349.db2.gz XPZCUTJNJQZWMR-UHFFFAOYSA-N -1 0 343.722 2.757 20 30 EFEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CN(C)C(=O)[O-])c1 ZINC000736090562 602512271 /nfs/dbraw/zinc/51/22/71/602512271.db2.gz CDYDBASBLKCZES-UHFFFAOYSA-N -1 0 328.393 2.872 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)[O-])cc2)c1 ZINC000738433397 602685104 /nfs/dbraw/zinc/68/51/04/602685104.db2.gz ALDYZSFTPNPGPD-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738251279 603132940 /nfs/dbraw/zinc/13/29/40/603132940.db2.gz KAVWPJGPHXORFB-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM CN(CCCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000828279455 603707760 /nfs/dbraw/zinc/70/77/60/603707760.db2.gz XQRWYTBZFMQVLL-CVEARBPZSA-N -1 0 329.400 2.675 20 30 EFEDRM COCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1 ZINC000831710441 604390778 /nfs/dbraw/zinc/39/07/78/604390778.db2.gz WWNNWPNEEBWQSZ-UHFFFAOYSA-N -1 0 342.326 2.689 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000179029353 604398767 /nfs/dbraw/zinc/39/87/67/604398767.db2.gz QMRMZGHZKRMMCX-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)Nc2cccc(C#N)c2C)c(C(=O)[O-])c1C ZINC000825936907 604452973 /nfs/dbraw/zinc/45/29/73/604452973.db2.gz OTYJRFYJJSUUFB-UHFFFAOYSA-N -1 0 339.351 2.585 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825642034 604508798 /nfs/dbraw/zinc/50/87/98/604508798.db2.gz DJMASIXCYRASBL-HNNXBMFYSA-N -1 0 334.416 2.730 20 30 EFEDRM CC(C)Oc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000833506716 604516642 /nfs/dbraw/zinc/51/66/42/604516642.db2.gz ISVLIQHHYNVLAL-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM CCOC(=O)Cc1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833659367 604538675 /nfs/dbraw/zinc/53/86/75/604538675.db2.gz XOICHNZWTWSOSU-UHFFFAOYSA-N -1 0 338.363 2.974 20 30 EFEDRM CC(C)C[C@]1(C)CC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833481835 604548910 /nfs/dbraw/zinc/54/89/10/604548910.db2.gz WQJHJCHYGGQRCS-GOSISDBHSA-N -1 0 328.368 2.568 20 30 EFEDRM N#Cc1c(Cn2nc(-c3ccccc3F)ccc2=O)cccc1C(=O)[O-] ZINC000833761201 604549305 /nfs/dbraw/zinc/54/93/05/604549305.db2.gz PYUBKUVRKIVNNL-UHFFFAOYSA-N -1 0 349.321 2.668 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)OCC ZINC000833367574 604555297 /nfs/dbraw/zinc/55/52/97/604555297.db2.gz OALKHTLOQZWMMN-OAHLLOKOSA-N -1 0 341.354 2.749 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000832849930 604555896 /nfs/dbraw/zinc/55/58/96/604555896.db2.gz SMYYVRXKLIKQJQ-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM C#CC[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833360628 604566089 /nfs/dbraw/zinc/56/60/89/604566089.db2.gz MYUDLHFLDSQMNS-SFHVURJKSA-N -1 0 336.391 2.991 20 30 EFEDRM C#CC[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833360626 604566112 /nfs/dbraw/zinc/56/61/12/604566112.db2.gz MYUDLHFLDSQMNS-GOSISDBHSA-N -1 0 336.391 2.991 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833541880 604581064 /nfs/dbraw/zinc/58/10/64/604581064.db2.gz WSHVIVYSYQLDIJ-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM COCc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833725852 604581519 /nfs/dbraw/zinc/58/15/19/604581519.db2.gz JOLCMVAEBGMXCJ-UHFFFAOYSA-N -1 0 325.320 2.760 20 30 EFEDRM COc1ccc(C)cc1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833730460 604581604 /nfs/dbraw/zinc/58/16/04/604581604.db2.gz AWJULRUUEFMHKO-UHFFFAOYSA-N -1 0 339.347 2.859 20 30 EFEDRM Cc1noc(C)c1CCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833757869 604581808 /nfs/dbraw/zinc/58/18/08/604581808.db2.gz ZUBYVFFOQOGQMW-UHFFFAOYSA-N -1 0 328.324 2.537 20 30 EFEDRM CC(C)(C)n1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cn1 ZINC000833453200 604582402 /nfs/dbraw/zinc/58/24/02/604582402.db2.gz XLRCNSFGEUTKLZ-UHFFFAOYSA-N -1 0 327.340 2.565 20 30 EFEDRM C#CCOc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833366213 604583950 /nfs/dbraw/zinc/58/39/50/604583950.db2.gz LWGSFIUOSAPZEX-UHFFFAOYSA-N -1 0 335.315 2.625 20 30 EFEDRM Cc1ccc(F)c(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833749813 604585153 /nfs/dbraw/zinc/58/51/53/604585153.db2.gz WJXFNDFEHGKLQK-UHFFFAOYSA-N -1 0 343.310 2.826 20 30 EFEDRM CC(C)Oc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC000833506800 604586702 /nfs/dbraw/zinc/58/67/02/604586702.db2.gz MBGRWWWYQFPWRY-UHFFFAOYSA-N -1 0 340.335 2.796 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1C#N ZINC000827058841 604588203 /nfs/dbraw/zinc/58/82/03/604588203.db2.gz ZWEXBQQXTKUWAY-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM C#CCOCCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000833366382 604589729 /nfs/dbraw/zinc/58/97/29/604589729.db2.gz URKPSULXPBQJGG-UHFFFAOYSA-N -1 0 336.340 2.822 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000832153255 604596714 /nfs/dbraw/zinc/59/67/14/604596714.db2.gz YMECVFZHZICSMQ-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000832152401 604598729 /nfs/dbraw/zinc/59/87/29/604598729.db2.gz CRCLUFCPLKNCBX-UHFFFAOYSA-N -1 0 328.324 2.567 20 30 EFEDRM Cc1nc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)s1 ZINC000832998782 604610664 /nfs/dbraw/zinc/61/06/64/604610664.db2.gz NGDABHTXNAYFPW-OAHLLOKOSA-N -1 0 330.365 2.543 20 30 EFEDRM C#CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccc(F)cc1 ZINC000833365163 604611657 /nfs/dbraw/zinc/61/16/57/604611657.db2.gz YULIXVHSDXMBNJ-UHFFFAOYSA-N -1 0 343.402 2.749 20 30 EFEDRM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833432237 604612891 /nfs/dbraw/zinc/61/28/91/604612891.db2.gz JQEOVCIYAFNHNI-OAHLLOKOSA-N -1 0 330.384 2.563 20 30 EFEDRM CC(=NNS(=O)(=O)Cc1ccccc1)[C@H](C)CCCCC(=O)[O-] ZINC000814816479 604637885 /nfs/dbraw/zinc/63/78/85/604637885.db2.gz OVLBERPTBZVITL-CYBMUJFWSA-N -1 0 340.445 2.763 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000833363066 604638311 /nfs/dbraw/zinc/63/83/11/604638311.db2.gz ZODYJMJCAKGTOU-AWEZNQCLSA-N -1 0 347.367 2.567 20 30 EFEDRM CC(C)(C#N)c1ccccc1Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000826081107 604649486 /nfs/dbraw/zinc/64/94/86/604649486.db2.gz LFISWAHVWYALDJ-UHFFFAOYSA-N -1 0 347.378 2.888 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000776686403 604651020 /nfs/dbraw/zinc/65/10/20/604651020.db2.gz WPRMUFULAIRKNK-MRXNPFEDSA-N -1 0 338.319 2.787 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833760666 604736044 /nfs/dbraw/zinc/73/60/44/604736044.db2.gz ZOEITPMFMOJZJH-UHFFFAOYSA-N -1 0 326.352 2.853 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000825692304 604737982 /nfs/dbraw/zinc/73/79/82/604737982.db2.gz PQFHMOMKGUXRFB-GFCCVEGCSA-N -1 0 331.397 2.687 20 30 EFEDRM C=CCNc1ncc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000825692164 604741053 /nfs/dbraw/zinc/74/10/53/604741053.db2.gz LGMSQYRJZQKRLP-ZDUSSCGKSA-N -1 0 345.424 2.648 20 30 EFEDRM C=CCn1c(SC[C@@H](F)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825710915 604752102 /nfs/dbraw/zinc/75/21/02/604752102.db2.gz HGOJVSAJMHMGDV-GFCCVEGCSA-N -1 0 337.376 2.655 20 30 EFEDRM N#CCCN(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833760464 604766607 /nfs/dbraw/zinc/76/66/07/604766607.db2.gz UTGJXNRXRLPLIW-UHFFFAOYSA-N -1 0 328.290 2.622 20 30 EFEDRM CC(N=Nc1c(Cl)cccc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000825804601 604786747 /nfs/dbraw/zinc/78/67/47/604786747.db2.gz OBDJORUIASNUSV-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)cc2F)NC(=O)N1CC1CC1 ZINC000828135727 604793984 /nfs/dbraw/zinc/79/39/84/604793984.db2.gz QDCPODSJAIPZKX-HNNXBMFYSA-N -1 0 329.331 2.532 20 30 EFEDRM C=CCn1c(C)nn(CN2CCc3ccc(C(=O)[O-])cc3C2)c1=S ZINC000833379615 604795836 /nfs/dbraw/zinc/79/58/36/604795836.db2.gz IZIJIAWXQZLJGD-UHFFFAOYSA-N -1 0 344.440 2.623 20 30 EFEDRM Cc1cn(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1C#N ZINC000832985163 604811115 /nfs/dbraw/zinc/81/11/15/604811115.db2.gz DYJXGDUHPPJIOD-UHFFFAOYSA-N -1 0 329.381 2.555 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825687690 604812000 /nfs/dbraw/zinc/81/20/00/604812000.db2.gz TXPUCCJKVVKPGL-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM N#Cc1c(Cl)nsc1NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000833760939 604835782 /nfs/dbraw/zinc/83/57/82/604835782.db2.gz JUBMZEHRXJNETI-SNVBAGLBSA-N -1 0 341.751 2.751 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2csc(NC3CC3)n2)C(=O)[O-])cc1 ZINC000833072871 604839925 /nfs/dbraw/zinc/83/99/25/604839925.db2.gz RPQKVJRHEAAYRD-ZDUSSCGKSA-N -1 0 343.364 2.572 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000833366183 604860656 /nfs/dbraw/zinc/86/06/56/604860656.db2.gz KPMZMSPNMVMOFP-KRWDZBQOSA-N -1 0 335.359 2.917 20 30 EFEDRM COc1cccc(C#CCOC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000832514118 604885957 /nfs/dbraw/zinc/88/59/57/604885957.db2.gz AKJQHUCEKVKNEU-UHFFFAOYSA-N -1 0 327.336 2.547 20 30 EFEDRM N#CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000833062975 604913988 /nfs/dbraw/zinc/91/39/88/604913988.db2.gz RMQDOLBLEKGYJK-UHFFFAOYSA-N -1 0 325.752 2.619 20 30 EFEDRM C#Cc1cccc(N(CC)CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000833368860 604947665 /nfs/dbraw/zinc/94/76/65/604947665.db2.gz WCADQIJYUXKXPH-UHFFFAOYSA-N -1 0 336.391 2.855 20 30 EFEDRM C[C@@]1(NC(=O)c2cc3ccccc3n2CC#N)CCCC[C@@H]1C(=O)[O-] ZINC000833567760 604959551 /nfs/dbraw/zinc/95/95/51/604959551.db2.gz QEWOPPQJKJPWKK-AUUYWEPGSA-N -1 0 339.395 2.928 20 30 EFEDRM C[C@@]1(NC(=O)CSc2ccc(C#N)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833569636 604961683 /nfs/dbraw/zinc/96/16/83/604961683.db2.gz OIVCTKICIBGNTI-RHSMWYFYSA-N -1 0 332.425 2.800 20 30 EFEDRM Cc1cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)oc1C(=O)[O-] ZINC000833745377 604974145 /nfs/dbraw/zinc/97/41/45/604974145.db2.gz FPVLXJLYEJQKNR-MRXNPFEDSA-N -1 0 326.352 2.731 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000833417261 604986775 /nfs/dbraw/zinc/98/67/75/604986775.db2.gz NWHMHDUIZHTYNC-AWEZNQCLSA-N -1 0 347.390 2.730 20 30 EFEDRM C#CCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833362656 605009289 /nfs/dbraw/zinc/00/92/89/605009289.db2.gz CRLGRSWGYHSIKP-OAHLLOKOSA-N -1 0 328.412 2.616 20 30 EFEDRM C[C@@H](CC#N)N(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315900380 605024371 /nfs/dbraw/zinc/02/43/71/605024371.db2.gz SSQCZQUEOMIIGV-VIFPVBQESA-N -1 0 338.410 2.522 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccncc1 ZINC000833369624 605028351 /nfs/dbraw/zinc/02/83/51/605028351.db2.gz BIVWJLYAWYANAV-CQSZACIVSA-N -1 0 346.408 2.684 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000162567608 605028995 /nfs/dbraw/zinc/02/89/95/605028995.db2.gz WUUOAPRSIOJMMZ-SECBINFHSA-N -1 0 325.411 2.842 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000833376277 605029177 /nfs/dbraw/zinc/02/91/77/605029177.db2.gz QGAPCDKNGBIBGZ-UHFFFAOYSA-N -1 0 341.323 2.516 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Br)cn1 ZINC000833407189 605040196 /nfs/dbraw/zinc/04/01/96/605040196.db2.gz SBUMFJIIASFPDA-SECBINFHSA-N -1 0 337.177 2.737 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833682620 605052569 /nfs/dbraw/zinc/05/25/69/605052569.db2.gz CIVDIAWKHJEQTL-OLZOCXBDSA-N -1 0 340.383 2.757 20 30 EFEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000833367497 605054731 /nfs/dbraw/zinc/05/47/31/605054731.db2.gz YOYQMWVNGLOPSQ-ZFWWWQNUSA-N -1 0 333.384 2.985 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)[O-])C1CC1 ZINC000833379966 605071711 /nfs/dbraw/zinc/07/17/11/605071711.db2.gz RTGYXTHDWXIQGE-HNNXBMFYSA-N -1 0 345.424 2.998 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1S[C@@H](C(=O)[O-])C1CC1 ZINC000833379967 605071716 /nfs/dbraw/zinc/07/17/16/605071716.db2.gz RTGYXTHDWXIQGE-OAHLLOKOSA-N -1 0 345.424 2.998 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833375854 605083719 /nfs/dbraw/zinc/08/37/19/605083719.db2.gz IBUSGKWDHXIACZ-UHFFFAOYSA-N -1 0 326.396 2.964 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-] ZINC000818622728 605104816 /nfs/dbraw/zinc/10/48/16/605104816.db2.gz CCRZTNWESASEIT-UHFFFAOYSA-N -1 0 337.351 2.741 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ncccc2C(F)(F)F)C(C(=O)[O-])=C1C ZINC000833377518 605117047 /nfs/dbraw/zinc/11/70/47/605117047.db2.gz ZVIUNRVBNJGZDQ-GFCCVEGCSA-N -1 0 341.289 2.711 20 30 EFEDRM CC(C)(C#N)CNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833412935 605121204 /nfs/dbraw/zinc/12/12/04/605121204.db2.gz GZALJSBYTCULHI-UHFFFAOYSA-N -1 0 344.415 2.520 20 30 EFEDRM C=CCN(C(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C(C)C ZINC000833374963 605130626 /nfs/dbraw/zinc/13/06/26/605130626.db2.gz BQWYCVWMJYBDRH-UHFFFAOYSA-N -1 0 340.401 2.970 20 30 EFEDRM C#CCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833362131 605131446 /nfs/dbraw/zinc/13/14/46/605131446.db2.gz AHGMXHQEXYXNKV-OAHLLOKOSA-N -1 0 341.238 2.760 20 30 EFEDRM C=CCn1c(C)nnc1SCc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833379603 605147292 /nfs/dbraw/zinc/14/72/92/605147292.db2.gz ICRKHZOLVAZPIR-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM Cc1ccc(C#N)c(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n1 ZINC000833747300 605158154 /nfs/dbraw/zinc/15/81/54/605158154.db2.gz JBWXDYWCWPJIBZ-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM CCOc1cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc1OCC(=O)[O-] ZINC000833663897 605164921 /nfs/dbraw/zinc/16/49/21/605164921.db2.gz UXIXPCHVZMZENM-LLVKDONJSA-N -1 0 335.356 2.644 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833489242 605172246 /nfs/dbraw/zinc/17/22/46/605172246.db2.gz XBOBRBMWJGLAQE-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM C#CCOc1ccc(N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833367276 605195258 /nfs/dbraw/zinc/19/52/58/605195258.db2.gz UDPOJSPUCLYXSD-KRWDZBQOSA-N -1 0 339.347 2.723 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccncc1 ZINC000833370811 605204063 /nfs/dbraw/zinc/20/40/63/605204063.db2.gz NNDPIGAFUYMZEQ-HNNXBMFYSA-N -1 0 346.408 2.684 20 30 EFEDRM N#CCCN(CCOc1ccccc1C(=O)[O-])Cc1ccccn1 ZINC000833760221 605214130 /nfs/dbraw/zinc/21/41/30/605214130.db2.gz LFGMQRMNURLFEU-UHFFFAOYSA-N -1 0 325.368 2.574 20 30 EFEDRM CC(C)C[C@@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC000833482632 605263792 /nfs/dbraw/zinc/26/37/92/605263792.db2.gz RYHFAARQPMSEAS-GFCCVEGCSA-N -1 0 340.832 2.919 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC000833368850 605320462 /nfs/dbraw/zinc/32/04/62/605320462.db2.gz VXTZJLWSHWIHEX-CQSZACIVSA-N -1 0 333.702 2.838 20 30 EFEDRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(C#N)cc1 ZINC000833522118 605384095 /nfs/dbraw/zinc/38/40/95/605384095.db2.gz GUELZNHYFJQOFO-CYBMUJFWSA-N -1 0 329.400 2.954 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833373965 605432576 /nfs/dbraw/zinc/43/25/76/605432576.db2.gz LPZYEVLNOUGHSM-UHFFFAOYSA-N -1 0 329.418 2.907 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833374640 605446070 /nfs/dbraw/zinc/44/60/70/605446070.db2.gz VNMHPOYCTBTOTD-UHFFFAOYSA-N -1 0 349.408 2.538 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000833374682 605446116 /nfs/dbraw/zinc/44/61/16/605446116.db2.gz XPXDNWKDXRMXDX-UHFFFAOYSA-N -1 0 335.385 2.626 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833374225 605477461 /nfs/dbraw/zinc/47/74/61/605477461.db2.gz CRIDUNGMXZPIQP-UHFFFAOYSA-N -1 0 334.397 2.709 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833374150 605509081 /nfs/dbraw/zinc/50/90/81/605509081.db2.gz AXICEYXZHISBLO-UHFFFAOYSA-N -1 0 342.395 2.961 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833366062 605512640 /nfs/dbraw/zinc/51/26/40/605512640.db2.gz DRBOHKMEJFWFLR-KRWDZBQOSA-N -1 0 342.322 2.690 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833433280 605575319 /nfs/dbraw/zinc/57/53/19/605575319.db2.gz UWRUWPFBJPYERG-KRWDZBQOSA-N -1 0 332.356 2.585 20 30 EFEDRM CC(=O)N(c1nc(C=NNc2cccc(C(=O)[O-])c2)cs1)C1CC1 ZINC000734296833 605591841 /nfs/dbraw/zinc/59/18/41/605591841.db2.gz VTRQILMGOINVCY-UHFFFAOYSA-N -1 0 344.396 2.803 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736108875 605659942 /nfs/dbraw/zinc/65/99/42/605659942.db2.gz SOQOJEDVLAAPAQ-HNNXBMFYSA-N -1 0 347.415 2.535 20 30 EFEDRM C=CCOc1cccnc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833378200 605798775 /nfs/dbraw/zinc/79/87/75/605798775.db2.gz AYRHIIAXCZKLMR-UHFFFAOYSA-N -1 0 331.299 2.632 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833542150 605799598 /nfs/dbraw/zinc/79/95/98/605799598.db2.gz GIPQKPCITXVMSR-NSHDSACASA-N -1 0 343.310 2.697 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833537883 605801914 /nfs/dbraw/zinc/80/19/14/605801914.db2.gz PMLIUSORYIVZQA-LLVKDONJSA-N -1 0 343.310 2.697 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000833454724 605807722 /nfs/dbraw/zinc/80/77/22/605807722.db2.gz NBAGSMJANHOMJU-UHFFFAOYSA-N -1 0 344.346 2.713 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1cc(F)cc(F)c1[O-] ZINC000822922630 606859547 /nfs/dbraw/zinc/85/95/47/606859547.db2.gz IHVSTICEBYNCPL-OWOJBTEDSA-N -1 0 334.307 2.808 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000850733947 1250584625 /nfs/dbraw/zinc/58/46/25/1250584625.db2.gz AIOPKOXKPSIEEC-UHFFFAOYSA-N -1 0 334.441 2.973 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000850733540 1250585349 /nfs/dbraw/zinc/58/53/49/1250585349.db2.gz VKOMXQXLBJTXHT-UHFFFAOYSA-N -1 0 334.441 2.973 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850759967 1250598700 /nfs/dbraw/zinc/59/87/00/1250598700.db2.gz TVGRPXJGMMFKKU-NSHDSACASA-N -1 0 328.315 2.900 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850767900 1250605094 /nfs/dbraw/zinc/60/50/94/1250605094.db2.gz JPRTWPXXNDFJKQ-KRWDZBQOSA-N -1 0 325.412 2.668 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c2ccccc2n1 ZINC000850768780 1250605999 /nfs/dbraw/zinc/60/59/99/1250605999.db2.gz XRGIBKSWFVAIMM-OAHLLOKOSA-N -1 0 337.379 2.625 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c2ccccc2n1 ZINC000850768779 1250606027 /nfs/dbraw/zinc/60/60/27/1250606027.db2.gz XRGIBKSWFVAIMM-HNNXBMFYSA-N -1 0 337.379 2.625 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)CC2CCCCC2)CCCCC1 ZINC000850798353 1250621546 /nfs/dbraw/zinc/62/15/46/1250621546.db2.gz OLPWSKNLWXPQAU-UHFFFAOYSA-N -1 0 326.462 2.877 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000850806397 1250626867 /nfs/dbraw/zinc/62/68/67/1250626867.db2.gz VDXSFGLHSXFZSS-HZPDHXFCSA-N -1 0 346.452 2.721 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850899732 1250673997 /nfs/dbraw/zinc/67/39/97/1250673997.db2.gz VKIXWZMGLQMRTM-BRWVUGGUSA-N -1 0 335.407 2.971 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000850899735 1250674616 /nfs/dbraw/zinc/67/46/16/1250674616.db2.gz VKIXWZMGLQMRTM-YESZJQIVSA-N -1 0 335.407 2.971 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C)c1ccccc1 ZINC000850977838 1250724623 /nfs/dbraw/zinc/72/46/23/1250724623.db2.gz FQCQQHOCACIYJQ-OCCSQVGLSA-N -1 0 344.802 2.663 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851168665 1250839079 /nfs/dbraw/zinc/83/90/79/1250839079.db2.gz HDQHLDQZIXGKSB-UHFFFAOYSA-N -1 0 331.796 2.619 20 30 EFEDRM CC(C)CCCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191139 1250859107 /nfs/dbraw/zinc/85/91/07/1250859107.db2.gz RBDGGJKKKDMVSF-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1O ZINC000213556242 1255596928 /nfs/dbraw/zinc/59/69/28/1255596928.db2.gz JZFSXRMQYHMIIK-UTCJRWHESA-N -1 0 342.347 2.933 20 30 EFEDRM C=CCCCCCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000922517393 1266181607 /nfs/dbraw/zinc/18/16/07/1266181607.db2.gz JETAIVCHVIUQNG-CQSZACIVSA-N -1 0 335.452 2.926 20 30 EFEDRM c1nc2nc[n-]c(NN=C(CC3CCCCC3)c3ncccn3)c-2n1 ZINC000733901868 1266202814 /nfs/dbraw/zinc/20/28/14/1266202814.db2.gz WTOFSMVCZWZFIV-UHFFFAOYSA-N -1 0 336.403 2.930 20 30 EFEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125731 1260208276 /nfs/dbraw/zinc/20/82/76/1260208276.db2.gz SWBDNGBREQMOQT-UHFFFAOYSA-N -1 0 337.422 2.961 20 30 EFEDRM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000061067256 1260475755 /nfs/dbraw/zinc/47/57/55/1260475755.db2.gz OAVFOHNRBMVREJ-UHFFFAOYSA-N -1 0 339.442 2.838 20 30 EFEDRM C=CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000785454751 1261496285 /nfs/dbraw/zinc/49/62/85/1261496285.db2.gz AWHLBLYLJBRROY-UHFFFAOYSA-N -1 0 347.392 2.839 20 30 EFEDRM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)ccc1OCCC(=O)[O-] ZINC000791430748 1278120291 /nfs/dbraw/zinc/12/02/91/1278120291.db2.gz DBWNREUEULKWFU-DUXPYHPUSA-N -1 0 343.335 2.545 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC001119488395 1264150220 /nfs/dbraw/zinc/15/02/20/1264150220.db2.gz XFVDQVBNAWCIRH-UHFFFAOYSA-N -1 0 325.430 2.719 20 30 EFEDRM C=C(Br)CNC(=O)c1cccc(Br)c1[O-] ZINC000730105694 1264196497 /nfs/dbraw/zinc/19/64/97/1264196497.db2.gz MVFFDTCTUBQWHX-UHFFFAOYSA-N -1 0 334.995 2.793 20 30 EFEDRM N#CCOc1cccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000730151583 1264216882 /nfs/dbraw/zinc/21/68/82/1264216882.db2.gz NCXLVUSEFXIXKL-BQYQJAHWSA-N -1 0 337.331 2.948 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000730996814 1264508860 /nfs/dbraw/zinc/50/88/60/1264508860.db2.gz WNUAXAQAEAXDPN-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM O=C([O-])COc1cccc(CN=Nc2nc(-c3ccccc3)no2)c1 ZINC000733204267 1265110318 /nfs/dbraw/zinc/11/03/18/1265110318.db2.gz LFLJIFVJMQHUFE-UHFFFAOYSA-N -1 0 338.323 2.646 20 30 EFEDRM N#CCOc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1 ZINC000733206199 1265126262 /nfs/dbraw/zinc/12/62/62/1265126262.db2.gz CUYUWWIEBFCORR-RUDMXATFSA-N -1 0 337.331 2.948 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)c1cccc(I)c1[O-] ZINC000791742749 1278285862 /nfs/dbraw/zinc/28/58/62/1278285862.db2.gz WEYPDUIWXSXXFH-VIFPVBQESA-N -1 0 343.164 2.529 20 30 EFEDRM CC(C)(C)n1cc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)nn1 ZINC000843267791 1267254748 /nfs/dbraw/zinc/25/47/48/1267254748.db2.gz GIZNISQJNKFBEL-MEODZPNASA-N -1 0 325.368 2.871 20 30 EFEDRM COc1cc(/C=C/C(=O)c2nccn2C)cc(Br)c1O ZINC000735792910 1267425640 /nfs/dbraw/zinc/42/56/40/1267425640.db2.gz NYJHMIHMAXGZAQ-ONEGZZNKSA-N -1 0 337.173 2.793 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736090089 1267492442 /nfs/dbraw/zinc/49/24/42/1267492442.db2.gz UNAPAHOSQNDXEB-UHFFFAOYSA-N -1 0 340.291 2.557 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000073837841 1267533286 /nfs/dbraw/zinc/53/32/86/1267533286.db2.gz OGWBHZRWKPZCAC-OLZOCXBDSA-N -1 0 346.493 2.746 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000073837922 1267534453 /nfs/dbraw/zinc/53/44/53/1267534453.db2.gz QCZADOPQVSVINL-GFCCVEGCSA-N -1 0 346.493 2.936 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000073839481 1267538312 /nfs/dbraw/zinc/53/83/12/1267538312.db2.gz KUCOHYHSBJVXFA-UWVGGRQHSA-N -1 0 331.459 2.542 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273374413 1269143306 /nfs/dbraw/zinc/14/33/06/1269143306.db2.gz MSIINFASGJRUFD-CYBMUJFWSA-N -1 0 336.382 2.575 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H]3C)cc2[n-]c1=S ZINC000740928920 1269171452 /nfs/dbraw/zinc/17/14/52/1269171452.db2.gz UNHMODFJJPCIJU-NEPJUHHUSA-N -1 0 343.452 2.742 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCc2ccccn2)n1 ZINC000741338175 1269488488 /nfs/dbraw/zinc/48/84/88/1269488488.db2.gz VDZWOIKFKOHIIU-CQSZACIVSA-N -1 0 343.408 2.589 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791960094 1278488447 /nfs/dbraw/zinc/48/84/47/1278488447.db2.gz QIFKCCMVIFXHMN-UHFFFAOYSA-N -1 0 330.409 2.808 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cnc3ccccc3c2)CCC1 ZINC000791960003 1278489050 /nfs/dbraw/zinc/48/90/50/1278489050.db2.gz DQHNWNVBAISHDY-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000741658266 1269638617 /nfs/dbraw/zinc/63/86/17/1269638617.db2.gz RZSMHBDEZSMWSJ-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM N#CCCN=c1[n-]nc(-c2cc(Br)ccc2F)s1 ZINC000362664559 1269936410 /nfs/dbraw/zinc/93/64/10/1269936410.db2.gz MQIBOAOIUJSSCN-UHFFFAOYSA-N -1 0 327.182 2.854 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2ccc(OC)cc2c1C ZINC000744031170 1270833795 /nfs/dbraw/zinc/83/37/95/1270833795.db2.gz RUZDERQIQFZEBA-ZDUSSCGKSA-N -1 0 328.393 2.843 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2scnc2Cl)c1 ZINC000744936942 1271252693 /nfs/dbraw/zinc/25/26/93/1271252693.db2.gz YWRUDKJCYARPGB-JTQLQIEISA-N -1 0 335.772 2.766 20 30 EFEDRM N=C(c1nonc1N)N(O)C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC001143625916 1278621870 /nfs/dbraw/zinc/62/18/70/1278621870.db2.gz ZPQAHEPBGZQCAG-ZDUSSCGKSA-N -1 0 343.387 2.559 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2Cc3ccccc32)n1 ZINC000745376968 1271462950 /nfs/dbraw/zinc/46/29/50/1271462950.db2.gz JWBWQAGDEAOPLN-KBPBESRZSA-N -1 0 326.377 2.511 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2ccccc2OCC(=O)[O-])o1 ZINC000745613076 1271539992 /nfs/dbraw/zinc/53/99/92/1271539992.db2.gz KUJLRFJWWIACKH-UHFFFAOYSA-N -1 0 342.355 2.654 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1 ZINC000745978861 1271709505 /nfs/dbraw/zinc/70/95/05/1271709505.db2.gz NQOHMJMYRZTILK-UHFFFAOYSA-N -1 0 332.429 2.895 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3)cn2)[n-]c1C#N ZINC001143814825 1278792126 /nfs/dbraw/zinc/79/21/26/1278792126.db2.gz IVKHDOUGCVEVTJ-UHFFFAOYSA-N -1 0 348.297 2.732 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnc(C)s1 ZINC000792562499 1278904055 /nfs/dbraw/zinc/90/40/55/1278904055.db2.gz LKPWPJOHCOYQLD-LBPRGKRZSA-N -1 0 348.490 2.934 20 30 EFEDRM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000785555391 1275117180 /nfs/dbraw/zinc/11/71/80/1275117180.db2.gz XYMSWGZUOZNZEM-UHFFFAOYSA-N -1 0 343.408 2.983 20 30 EFEDRM CCc1ccccc1CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785831335 1275200802 /nfs/dbraw/zinc/20/08/02/1275200802.db2.gz OKVSDCWCVQQDMK-HNNXBMFYSA-N -1 0 342.420 2.976 20 30 EFEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000786273864 1275348640 /nfs/dbraw/zinc/34/86/40/1275348640.db2.gz BRXAHQSBBWGUIL-UHFFFAOYSA-N -1 0 335.212 2.738 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC(F)(F)F ZINC000786305357 1275358210 /nfs/dbraw/zinc/35/82/10/1275358210.db2.gz DCQNBAZEGNNJFP-LBPRGKRZSA-N -1 0 349.312 2.828 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2ccccc2n1CC(F)(F)F ZINC000786311780 1275366906 /nfs/dbraw/zinc/36/69/06/1275366906.db2.gz XAFUAXLQXREPKE-LBPRGKRZSA-N -1 0 349.312 2.805 20 30 EFEDRM C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)c1c[nH]c2ccccc21 ZINC000786472544 1275404340 /nfs/dbraw/zinc/40/43/40/1275404340.db2.gz UICCIJLHLFODFI-GXTWGEPZSA-N -1 0 334.379 2.987 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786537937 1275423823 /nfs/dbraw/zinc/42/38/23/1275423823.db2.gz CJSGOZVNBVWVOM-CQSZACIVSA-N -1 0 341.436 2.961 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)c1 ZINC000786539221 1275424514 /nfs/dbraw/zinc/42/45/14/1275424514.db2.gz DMICAPDPPIQHQD-OAHLLOKOSA-N -1 0 341.798 2.991 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(CC#N)c2)c1 ZINC000786550105 1275438914 /nfs/dbraw/zinc/43/89/14/1275438914.db2.gz MVZKMBKEEDUJHG-SFHVURJKSA-N -1 0 331.375 2.700 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1F ZINC000786550038 1275439752 /nfs/dbraw/zinc/43/97/52/1275439752.db2.gz MJCRUEQCUVPSNU-HNNXBMFYSA-N -1 0 340.354 2.782 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCO3)c1 ZINC000786549554 1275440536 /nfs/dbraw/zinc/44/05/36/1275440536.db2.gz RTWNWKJOIQCJNO-QGZVFWFLSA-N -1 0 334.375 2.569 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)c1 ZINC000786552577 1275441509 /nfs/dbraw/zinc/44/15/09/1275441509.db2.gz OASYWKOZOHTKOS-MRXNPFEDSA-N -1 0 332.363 2.510 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786559571 1275443782 /nfs/dbraw/zinc/44/37/82/1275443782.db2.gz PJDISEOIYRJKFO-LBPRGKRZSA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)o1 ZINC000786563151 1275443926 /nfs/dbraw/zinc/44/39/26/1275443926.db2.gz HFVBUYGDCZWTDP-GFCCVEGCSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786559569 1275444334 /nfs/dbraw/zinc/44/43/34/1275444334.db2.gz PJDISEOIYRJKFO-GFCCVEGCSA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786571745 1275447476 /nfs/dbraw/zinc/44/74/76/1275447476.db2.gz SXKJCQXXNNVWFD-CQSZACIVSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnccc2C)n1 ZINC000786923681 1275580550 /nfs/dbraw/zinc/58/05/50/1275580550.db2.gz QJNQZVWHVUEFLM-RDFMZFSFSA-N -1 0 341.392 2.588 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000787039399 1275624157 /nfs/dbraw/zinc/62/41/57/1275624157.db2.gz RUIAUFVYXIRFMO-UONOGXRCSA-N -1 0 341.367 2.663 20 30 EFEDRM C[C@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787155310 1275689747 /nfs/dbraw/zinc/68/97/47/1275689747.db2.gz PWUCVNWWDFPARH-AAEUAGOBSA-N -1 0 345.399 2.848 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746678869 1275767352 /nfs/dbraw/zinc/76/73/52/1275767352.db2.gz HSELRRVSLUAPFB-UHFFFAOYSA-N -1 0 348.428 2.645 20 30 EFEDRM O=C([O-])CCOc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1 ZINC000746684016 1275783284 /nfs/dbraw/zinc/78/32/84/1275783284.db2.gz JDLOUMQYOPDIAG-CXUHLZMHSA-N -1 0 326.304 2.862 20 30 EFEDRM COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cnc1Br ZINC000788519605 1276207822 /nfs/dbraw/zinc/20/78/22/1276207822.db2.gz BMWBELDMINMTFJ-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM CCCc1[nH]ccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000817728131 1276280635 /nfs/dbraw/zinc/28/06/35/1276280635.db2.gz LGOCWNOALWUATR-UHFFFAOYSA-N -1 0 337.445 2.501 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000817712563 1276289213 /nfs/dbraw/zinc/28/92/13/1276289213.db2.gz MCDIZKWIZCZOPT-CQSZACIVSA-N -1 0 329.356 2.593 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788754482 1276290161 /nfs/dbraw/zinc/29/01/61/1276290161.db2.gz SSQRCSKIXZZBLV-UHFFFAOYSA-N -1 0 342.376 2.742 20 30 EFEDRM COc1ccc(Nc2ccccc2OCC#N)c(S(=O)(=O)[O-])c1 ZINC001212601507 1279017568 /nfs/dbraw/zinc/01/75/68/1279017568.db2.gz CKTIRJBYUATEQZ-UHFFFAOYSA-N -1 0 334.353 2.588 20 30 EFEDRM O=C([O-])[C@@H]1CCC(N=Nc2nc(-c3ccncc3)no2)c2ccccc21 ZINC000789004942 1276440979 /nfs/dbraw/zinc/44/09/79/1276440979.db2.gz KQUKJTBXCLOJKQ-CQSZACIVSA-N -1 0 349.350 2.910 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccco3)s2)C(=O)O1 ZINC000789126157 1276520988 /nfs/dbraw/zinc/52/09/88/1276520988.db2.gz CRSSDOCWXSZCST-NNTXTVRGSA-N -1 0 329.333 2.631 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C(=O)[O-])c1 ZINC000923064292 1276712753 /nfs/dbraw/zinc/71/27/53/1276712753.db2.gz GLNPWXAEZJFQEI-UZLBHIALSA-N -1 0 340.423 2.829 20 30 EFEDRM N#CC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000923080471 1276745183 /nfs/dbraw/zinc/74/51/83/1276745183.db2.gz LURPNOMGXOEFHB-IBGZPJMESA-N -1 0 326.396 2.715 20 30 EFEDRM N#C[C@]1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC12CCCC2 ZINC000923087469 1276780809 /nfs/dbraw/zinc/78/08/09/1276780809.db2.gz YCUQFSOQSPHSPK-PMACEKPBSA-N -1 0 338.407 2.715 20 30 EFEDRM N#C[C@@]1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC12CCCC2 ZINC000923087474 1276781180 /nfs/dbraw/zinc/78/11/80/1276781180.db2.gz YCUQFSOQSPHSPK-WOJBJXKFSA-N -1 0 338.407 2.715 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(OC)cc2C)CCC1 ZINC000789532225 1276787605 /nfs/dbraw/zinc/78/76/05/1276787605.db2.gz PUCPIJHLJKGFMR-UHFFFAOYSA-N -1 0 337.441 2.863 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000923104231 1276813041 /nfs/dbraw/zinc/81/30/41/1276813041.db2.gz UAWZVZIJOQBOET-INIZCTEOSA-N -1 0 335.429 2.796 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000789517041 1276815834 /nfs/dbraw/zinc/81/58/34/1276815834.db2.gz LTFMQAUTZNTOGO-UHFFFAOYSA-N -1 0 325.430 2.898 20 30 EFEDRM Cn1[n-]c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1=O ZINC001136242090 1276847766 /nfs/dbraw/zinc/84/77/66/1276847766.db2.gz PVDLBHJRHKMMKQ-UHFFFAOYSA-N -1 0 348.362 2.829 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)oc1C ZINC000819942304 1276962386 /nfs/dbraw/zinc/96/23/86/1276962386.db2.gz YTVSXSKMELASBE-LLVKDONJSA-N -1 0 341.205 2.979 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1coc2c1cccc2C ZINC000819945973 1276965000 /nfs/dbraw/zinc/96/50/00/1276965000.db2.gz YCCCMLDGCGCXQK-AWEZNQCLSA-N -1 0 328.368 2.607 20 30 EFEDRM C=CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccccc1 ZINC000819984909 1276979628 /nfs/dbraw/zinc/97/96/28/1276979628.db2.gz CHLIUHIMIDRCSC-ZDUSSCGKSA-N -1 0 328.334 2.909 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(-c3cccc(F)c3F)o2)[n-]c1=O ZINC000790147929 1277287809 /nfs/dbraw/zinc/28/78/09/1277287809.db2.gz CAOLFUWMRMUQEH-UHFFFAOYSA-N -1 0 331.282 2.870 20 30 EFEDRM CC[C@H](C)NN=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000790189907 1277338353 /nfs/dbraw/zinc/33/83/53/1277338353.db2.gz SDNRWYYMTUCDAR-VIFPVBQESA-N -1 0 329.194 2.635 20 30 EFEDRM O=C1Nc2c(ccc(Cl)c2Cl)C1=N[N-]c1nc2ccccn2n1 ZINC000790199335 1277344338 /nfs/dbraw/zinc/34/43/38/1277344338.db2.gz QJQNUAXDVCIOLW-UHFFFAOYSA-N -1 0 347.165 2.804 20 30 EFEDRM COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000790215382 1277356523 /nfs/dbraw/zinc/35/65/23/1277356523.db2.gz QJFZNSAEAYLTHY-HWKANZROSA-N -1 0 346.408 2.820 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cccnc2OCC(F)F)c1 ZINC000821140079 1277456655 /nfs/dbraw/zinc/45/66/55/1277456655.db2.gz LFVWYHYQAOQXNV-UHFFFAOYSA-N -1 0 338.335 2.508 20 30 EFEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c(Cl)c1 ZINC000790768101 1277748114 /nfs/dbraw/zinc/74/81/14/1277748114.db2.gz SZVBQEGLMCYIHY-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000790822282 1277798580 /nfs/dbraw/zinc/79/85/80/1277798580.db2.gz NNVXBSZAUHGBBC-UHFFFAOYSA-N -1 0 347.820 2.518 20 30 EFEDRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790869292 1277814545 /nfs/dbraw/zinc/81/45/45/1277814545.db2.gz OTMHHBWVZQNQNL-VIFPVBQESA-N -1 0 348.346 2.674 20 30 EFEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790869224 1277814981 /nfs/dbraw/zinc/81/49/81/1277814981.db2.gz NXIYHLIFECCKHG-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000792713621 1279111243 /nfs/dbraw/zinc/11/12/43/1279111243.db2.gz MLOIJLDFAIILOC-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM COc1nc(N(C)C)sc1C=[NH+][N-]c1cccc(C(=O)[O-])c1C ZINC000844628169 1279129544 /nfs/dbraw/zinc/12/95/44/1279129544.db2.gz ZXKRRUNGDWIITA-UHFFFAOYSA-N -1 0 334.401 2.670 20 30 EFEDRM Cc1c([N-][NH+]=Cc2ccccc2N2CCOCC2)cccc1C(=O)[O-] ZINC000844628123 1279130092 /nfs/dbraw/zinc/13/00/92/1279130092.db2.gz XZHLCONMYREBST-UHFFFAOYSA-N -1 0 339.395 2.976 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871872849 1287333619 /nfs/dbraw/zinc/33/36/19/1287333619.db2.gz OFRWOZKCIDXDTE-ZETCQYMHSA-N -1 0 338.212 2.935 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)s1 ZINC000844828087 1279279540 /nfs/dbraw/zinc/27/95/40/1279279540.db2.gz GPEQCZNKAAOLPW-UHFFFAOYSA-N -1 0 336.442 2.516 20 30 EFEDRM CC[C@@H](NN=Cc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC000793056549 1279345225 /nfs/dbraw/zinc/34/52/25/1279345225.db2.gz VSFMDDMYNNJUHA-MRVPVSSYSA-N -1 0 342.218 2.846 20 30 EFEDRM CC[C@H](NN=Cc1ccc2ccc(Br)cc2n1)C(=O)[O-] ZINC000793070789 1279354951 /nfs/dbraw/zinc/35/49/51/1279354951.db2.gz ABXPHIUSTCRJDW-LBPRGKRZSA-N -1 0 336.189 2.784 20 30 EFEDRM CC[C@H](NN=C(C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000793070848 1279355304 /nfs/dbraw/zinc/35/53/04/1279355304.db2.gz AIJOXHRNICJQKD-INIZCTEOSA-N -1 0 328.416 2.974 20 30 EFEDRM CC[C@H](NN=Cc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000793071107 1279355934 /nfs/dbraw/zinc/35/59/34/1279355934.db2.gz CQTXWSCRGPMWKK-AWEZNQCLSA-N -1 0 349.412 2.517 20 30 EFEDRM CC[C@H](NN=C(C)c1cc(Br)cc(C)c1O)C(=O)[O-] ZINC000793071037 1279356225 /nfs/dbraw/zinc/35/62/25/1279356225.db2.gz CAPHMGWQRMYRES-NSHDSACASA-N -1 0 329.194 2.640 20 30 EFEDRM CC[C@@H](NN=C(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000793072603 1279357735 /nfs/dbraw/zinc/35/77/35/1279357735.db2.gz UANKVBHCFHDHGJ-OLZOCXBDSA-N -1 0 327.425 2.605 20 30 EFEDRM CC[C@@H](NN=C1CCCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000793078005 1279359725 /nfs/dbraw/zinc/35/97/25/1279359725.db2.gz KSTJWKFUWGVVFN-VXGBXAGGSA-N -1 0 327.425 2.653 20 30 EFEDRM CC[C@H](NN=Cc1cn(C)nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000793080473 1279360304 /nfs/dbraw/zinc/36/03/04/1279360304.db2.gz ARCNSRFAIGISPL-ZDUSSCGKSA-N -1 0 326.356 2.620 20 30 EFEDRM CC[C@@H](NN=C1CCCc2cc(Br)ccc21)C(=O)[O-] ZINC000793079738 1279360680 /nfs/dbraw/zinc/36/06/80/1279360680.db2.gz SWFPQEPNHCKIOC-GFCCVEGCSA-N -1 0 325.206 2.942 20 30 EFEDRM CC[C@@H](NN=C([C@H](C)OCc1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000793058601 1279367981 /nfs/dbraw/zinc/36/79/81/1279367981.db2.gz WKFGWWCPUINUAA-CMPLNLGQSA-N -1 0 332.322 2.963 20 30 EFEDRM Cc1coc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000793138833 1279399908 /nfs/dbraw/zinc/39/99/08/1279399908.db2.gz ATYARSOQTTYYNM-UHFFFAOYSA-N -1 0 338.772 2.540 20 30 EFEDRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194849 1279436549 /nfs/dbraw/zinc/43/65/49/1279436549.db2.gz ATEMWRKHGSVASG-HNNXBMFYSA-N -1 0 340.489 2.979 20 30 EFEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793197380 1279440913 /nfs/dbraw/zinc/44/09/13/1279440913.db2.gz QXYCOWLGUYGCSD-CQSZACIVSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccn1 ZINC000793281597 1279528526 /nfs/dbraw/zinc/52/85/26/1279528526.db2.gz UCTQCSMSGRQDSQ-OAHLLOKOSA-N -1 0 327.771 2.682 20 30 EFEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccn1)c1ccccc1 ZINC000793317076 1279540352 /nfs/dbraw/zinc/54/03/52/1279540352.db2.gz MJJJGUDESVQYQH-QGZVFWFLSA-N -1 0 344.436 2.778 20 30 EFEDRM CSCC1(CC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CC1 ZINC000845350088 1279581584 /nfs/dbraw/zinc/58/15/84/1279581584.db2.gz AUDDBXPDJLOUGE-NSHDSACASA-N -1 0 338.454 2.704 20 30 EFEDRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000845462347 1279647629 /nfs/dbraw/zinc/64/76/29/1279647629.db2.gz INEXZTQDVNBUTM-UHFFFAOYSA-N -1 0 328.821 2.843 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000845886993 1279914097 /nfs/dbraw/zinc/91/40/97/1279914097.db2.gz HMEMUCXNMFMCHG-MNOVXSKESA-N -1 0 328.290 2.950 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1C(C)C ZINC000872003532 1287391615 /nfs/dbraw/zinc/39/16/15/1287391615.db2.gz QOWRJICERICIJG-UHFFFAOYSA-N -1 0 348.428 2.615 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000846154093 1280039317 /nfs/dbraw/zinc/03/93/17/1280039317.db2.gz NPDDOPQWRWUJSI-LLVKDONJSA-N -1 0 336.363 2.708 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000846154243 1280039721 /nfs/dbraw/zinc/03/97/21/1280039721.db2.gz MIDPYVZYHAAONV-JTQLQIEISA-N -1 0 331.372 2.686 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000846153733 1280039839 /nfs/dbraw/zinc/03/98/39/1280039839.db2.gz HOYYRPDLDAKMOV-SECBINFHSA-N -1 0 346.305 2.665 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000846153676 1280039985 /nfs/dbraw/zinc/03/99/85/1280039985.db2.gz IWULKEHKBCUXNC-NSHDSACASA-N -1 0 337.807 2.501 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000846155805 1280040836 /nfs/dbraw/zinc/04/08/36/1280040836.db2.gz WUMCKVLTRCNQIZ-RYUDHWBXSA-N -1 0 333.413 2.642 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000846155528 1280040951 /nfs/dbraw/zinc/04/09/51/1280040951.db2.gz UTISMRWWAOJGNY-LLVKDONJSA-N -1 0 336.363 2.708 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000846155179 1280041089 /nfs/dbraw/zinc/04/10/89/1280041089.db2.gz VJEZRUYWXYPWTN-JTQLQIEISA-N -1 0 326.780 2.688 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000846157709 1280041225 /nfs/dbraw/zinc/04/12/25/1280041225.db2.gz WBBLNQGTRAYYJK-MRVPVSSYSA-N -1 0 348.733 2.545 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000846146876 1280052803 /nfs/dbraw/zinc/05/28/03/1280052803.db2.gz MBSFVFIKJNMWRD-UHFFFAOYSA-N -1 0 345.443 2.938 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000846147605 1280052883 /nfs/dbraw/zinc/05/28/83/1280052883.db2.gz STHRRRSTQXWCNH-UHFFFAOYSA-N -1 0 341.205 2.574 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315681 1287398149 /nfs/dbraw/zinc/39/81/49/1287398149.db2.gz GDLDOYZTPYLRLQ-UHFFFAOYSA-N -1 0 340.730 2.629 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000846548055 1280241800 /nfs/dbraw/zinc/24/18/00/1280241800.db2.gz CXZWSCADEQJHBP-BJOHPYRUSA-N -1 0 338.816 2.891 20 30 EFEDRM C#C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000805305179 1280495709 /nfs/dbraw/zinc/49/57/09/1280495709.db2.gz DQYWEEHSZSHSIX-QWHCGFSZSA-N -1 0 343.210 2.679 20 30 EFEDRM Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(C#N)c([O-])c3)ccc12 ZINC000805351242 1280524111 /nfs/dbraw/zinc/52/41/11/1280524111.db2.gz VEVDAUWXXDIVGG-UHFFFAOYSA-N -1 0 334.331 2.955 20 30 EFEDRM C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805877198 1280841967 /nfs/dbraw/zinc/84/19/67/1280841967.db2.gz WIAMPZVYGAITSI-AWEZNQCLSA-N -1 0 349.456 2.663 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000805974103 1280923399 /nfs/dbraw/zinc/92/33/99/1280923399.db2.gz IIARZXKQIAWMLA-UHFFFAOYSA-N -1 0 328.821 2.760 20 30 EFEDRM CC1(S(=O)(=O)[N-]C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000806026865 1280946607 /nfs/dbraw/zinc/94/66/07/1280946607.db2.gz OXXCQKRTLVJUJJ-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM COC(=O)c1ccc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806561819 1281096538 /nfs/dbraw/zinc/09/65/38/1281096538.db2.gz AJXLKUAGAIDCPV-PLWJUESGSA-N -1 0 326.304 2.904 20 30 EFEDRM CC(C)n1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)nn1 ZINC000806570954 1281099170 /nfs/dbraw/zinc/09/91/70/1281099170.db2.gz BBMXYARPFZJFSP-ABZNLYFFSA-N -1 0 329.356 2.607 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1F ZINC000798210726 1281218672 /nfs/dbraw/zinc/21/86/72/1281218672.db2.gz HWMXRWHNYUUGKH-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#CCc1cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001147887996 1281322821 /nfs/dbraw/zinc/32/28/21/1281322821.db2.gz TWQIPHLNOIIXKO-UHFFFAOYSA-N -1 0 336.326 2.623 20 30 EFEDRM N#CC1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000807838207 1281447482 /nfs/dbraw/zinc/44/74/82/1281447482.db2.gz MSTHFQDPZHQJEF-UHFFFAOYSA-N -1 0 329.183 2.636 20 30 EFEDRM CC(C)(O)c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000807959179 1281479410 /nfs/dbraw/zinc/47/94/10/1281479410.db2.gz OYCZZIDSDREWQJ-UHFFFAOYSA-N -1 0 339.420 2.795 20 30 EFEDRM CC(C)(CCC#N)c1ccc(C(=O)NC2C(=O)N=CN=C2[O-])cc1 ZINC001148900626 1281799898 /nfs/dbraw/zinc/79/98/98/1281799898.db2.gz GCFOLTHEIJWEJL-UHFFFAOYSA-N -1 0 326.356 2.721 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1 ZINC000808979454 1281979635 /nfs/dbraw/zinc/97/96/35/1281979635.db2.gz ZQHASSLLOKDCRH-ZDUSSCGKSA-N -1 0 330.409 2.685 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(Cl)cn1 ZINC000808978080 1281980187 /nfs/dbraw/zinc/98/01/87/1281980187.db2.gz FQROOAYSGWADGH-ZDUSSCGKSA-N -1 0 340.770 2.918 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C)c1C=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000872329628 1287541201 /nfs/dbraw/zinc/54/12/01/1287541201.db2.gz QWDARCLJDBMXEU-UHFFFAOYSA-N -1 0 345.306 2.993 20 30 EFEDRM CCc1ccc(N2C[C@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)cc1 ZINC000748002781 1287552072 /nfs/dbraw/zinc/55/20/72/1287552072.db2.gz QAYGQDSWKVKKQO-OAHLLOKOSA-N -1 0 349.390 2.818 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OC2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000809750321 1282449204 /nfs/dbraw/zinc/44/92/04/1282449204.db2.gz XQPVPRNDDBHDKJ-GOSISDBHSA-N -1 0 336.432 2.770 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000748003432 1287581526 /nfs/dbraw/zinc/58/15/26/1287581526.db2.gz UCSOESIRWJMHOH-UHFFFAOYSA-N -1 0 325.349 2.560 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000748003408 1287581652 /nfs/dbraw/zinc/58/16/52/1287581652.db2.gz SDOYNWXCSBIMAY-UHFFFAOYSA-N -1 0 330.727 2.941 20 30 EFEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)NC(C)C)c2)n1 ZINC000124082646 1287583705 /nfs/dbraw/zinc/58/37/05/1287583705.db2.gz UXXDPNYJBHCNET-AWEZNQCLSA-N -1 0 327.409 2.966 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cccc(O)c2OC)cc1CC(=O)[O-] ZINC000810233188 1283061648 /nfs/dbraw/zinc/06/16/48/1283061648.db2.gz RXGCHUSRGSFCIV-VURMDHGXSA-N -1 0 342.347 2.933 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(F)CCCCC2)cc1Cl ZINC000810574996 1283389109 /nfs/dbraw/zinc/38/91/09/1283389109.db2.gz NJMRLYJEVZZDCV-UHFFFAOYSA-N -1 0 344.795 2.689 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C2=CCCC2)cc1 ZINC000810657516 1283433378 /nfs/dbraw/zinc/43/33/78/1283433378.db2.gz ZTUROAWRQMSIDT-UHFFFAOYSA-N -1 0 332.425 2.863 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C2CCCC2)cc1 ZINC000810656794 1283435379 /nfs/dbraw/zinc/43/53/79/1283435379.db2.gz MZFSTXAMTAYWKV-UHFFFAOYSA-N -1 0 334.441 2.954 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000810640414 1283450443 /nfs/dbraw/zinc/45/04/43/1283450443.db2.gz WOYDHVJMCRIOBL-UHFFFAOYSA-N -1 0 341.432 2.839 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000810648813 1283459539 /nfs/dbraw/zinc/45/95/39/1283459539.db2.gz LYKMAPCLKFFNGW-UHFFFAOYSA-N -1 0 347.823 2.677 20 30 EFEDRM C#CCC1(OC(=O)c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)CCC1 ZINC000810746930 1283573094 /nfs/dbraw/zinc/57/30/94/1283573094.db2.gz JBLJQPWZRBEZFN-UHFFFAOYSA-N -1 0 342.420 2.808 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000810784280 1283587891 /nfs/dbraw/zinc/58/78/91/1283587891.db2.gz ZBWSCWNXMCFYQM-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000810786278 1283587978 /nfs/dbraw/zinc/58/79/78/1283587978.db2.gz BFJUDUZJUPJGKL-SECBINFHSA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1CCc1ccccc1 ZINC000810775234 1283632831 /nfs/dbraw/zinc/63/28/31/1283632831.db2.gz XHYSYLBVNCTOJR-UHFFFAOYSA-N -1 0 341.432 2.555 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000810774651 1283633265 /nfs/dbraw/zinc/63/32/65/1283633265.db2.gz PFGDLXCRYOYQIM-UHFFFAOYSA-N -1 0 345.873 2.682 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000810778510 1283635075 /nfs/dbraw/zinc/63/50/75/1283635075.db2.gz BMAYXGDYWKRVQB-SECBINFHSA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000810778371 1283635986 /nfs/dbraw/zinc/63/59/86/1283635986.db2.gz VJWVZFOWSBIXTD-CHWSQXEVSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000810778628 1283637002 /nfs/dbraw/zinc/63/70/02/1283637002.db2.gz GMRXUXZJWTXOKS-UHFFFAOYSA-N -1 0 341.388 2.598 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000810778452 1283637404 /nfs/dbraw/zinc/63/74/04/1283637404.db2.gz YXTDLKVIXQEKFN-UHFFFAOYSA-N -1 0 348.251 2.785 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000810777809 1283640995 /nfs/dbraw/zinc/64/09/95/1283640995.db2.gz QBRCSBUUGGDFMQ-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC000810779085 1283643512 /nfs/dbraw/zinc/64/35/12/1283643512.db2.gz XXPOHFHWPBLSFW-UHFFFAOYSA-N -1 0 325.474 2.987 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000810980912 1283885165 /nfs/dbraw/zinc/88/51/65/1283885165.db2.gz HNLIABMICFMONW-UHFFFAOYSA-N -1 0 349.330 2.754 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSc2ccc(C)cc2)CC1 ZINC000810980065 1283885177 /nfs/dbraw/zinc/88/51/77/1283885177.db2.gz OMUWUFJXPHBDRV-UHFFFAOYSA-N -1 0 325.455 2.642 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2ccc(OC)cc2)CC1 ZINC000810980598 1283885191 /nfs/dbraw/zinc/88/51/91/1283885191.db2.gz CIRASNDQXSUMMX-UHFFFAOYSA-N -1 0 337.441 2.573 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(OCCC)c2)CC1 ZINC000810980446 1283885988 /nfs/dbraw/zinc/88/59/88/1283885988.db2.gz YOSDPFQVHLGUFJ-UHFFFAOYSA-N -1 0 337.441 2.573 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2[nH]c(-c3ccccc3)nc2C)CC1 ZINC000810980762 1283886154 /nfs/dbraw/zinc/88/61/54/1283886154.db2.gz DNOMNDIJBBQWSP-UHFFFAOYSA-N -1 0 345.424 2.553 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000810982220 1283907561 /nfs/dbraw/zinc/90/75/61/1283907561.db2.gz ZFZQCJANCGWDDL-UHFFFAOYSA-N -1 0 339.379 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC000810983751 1283907746 /nfs/dbraw/zinc/90/77/46/1283907746.db2.gz YDSGBBRNOILZCL-QGZVFWFLSA-N -1 0 333.453 2.736 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000810981119 1283907893 /nfs/dbraw/zinc/90/78/93/1283907893.db2.gz MJCWRFQTSHAHNW-MNOVXSKESA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc(Br)cc2C)CC1 ZINC000810982982 1283908552 /nfs/dbraw/zinc/90/85/52/1283908552.db2.gz BZJTXEAJJIXXCU-UHFFFAOYSA-N -1 0 348.218 2.519 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CO[C@H]2CCCC[C@H]2CC)CC1 ZINC000810984684 1283909658 /nfs/dbraw/zinc/90/96/58/1283909658.db2.gz JUKJKRJVIGPZHC-KGLIPLIRSA-N -1 0 329.462 2.527 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2CC(OCc3ccccc3)C2)CC1 ZINC000810984217 1283911521 /nfs/dbraw/zinc/91/15/21/1283911521.db2.gz WBROBUFCEUYUFV-UHFFFAOYSA-N -1 0 349.452 2.537 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(C)c2Cl)CC1 ZINC000810984233 1283912152 /nfs/dbraw/zinc/91/21/52/1283912152.db2.gz XBJJEXUDYYAFJA-UHFFFAOYSA-N -1 0 327.833 2.746 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(-n3cccc3)cc2)CC1 ZINC000810985605 1283913287 /nfs/dbraw/zinc/91/32/87/1283913287.db2.gz CBCBTBVXDDXQPA-UHFFFAOYSA-N -1 0 344.436 2.575 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000810985926 1283914099 /nfs/dbraw/zinc/91/40/99/1283914099.db2.gz UZRNTRAARLAEJS-GFCCVEGCSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000810985474 1283914144 /nfs/dbraw/zinc/91/41/44/1283914144.db2.gz MTWGJKUDFCMTEJ-ZIAGYGMSSA-N -1 0 339.844 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(OCC(C)C)c2)CC1 ZINC000810985144 1283914205 /nfs/dbraw/zinc/91/42/05/1283914205.db2.gz ZPFZMKMFXQUFGV-UHFFFAOYSA-N -1 0 337.441 2.890 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2cccc(C(C)C)c2)CC1 ZINC000810986769 1283915092 /nfs/dbraw/zinc/91/50/92/1283915092.db2.gz MJMNUFHKKFNGPA-UHFFFAOYSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2ccc(C)cc2)CC1 ZINC000810988852 1283915248 /nfs/dbraw/zinc/91/52/48/1283915248.db2.gz YVHAIVLXSONZPI-UHFFFAOYSA-N -1 0 337.441 2.709 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)O[C@H]2CCC[C@H](C)C2)CC1 ZINC000810987905 1283915264 /nfs/dbraw/zinc/91/52/64/1283915264.db2.gz DPNJDXNNVCPKEK-KKUMJFAQSA-N -1 0 343.489 2.915 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2F)CC1 ZINC000810987522 1283915866 /nfs/dbraw/zinc/91/58/66/1283915866.db2.gz OMBYYEFAXGACDC-UHFFFAOYSA-N -1 0 331.796 2.576 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000810988425 1283916746 /nfs/dbraw/zinc/91/67/46/1283916746.db2.gz IUNYHHTWQPEKDJ-UHFFFAOYSA-N -1 0 348.449 2.978 20 30 EFEDRM CC[C@H](O)CNN=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000811655431 1284463071 /nfs/dbraw/zinc/46/30/71/1284463071.db2.gz NUXSAQPMFBDRBI-AWEZNQCLSA-N -1 0 346.383 2.560 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cc(O)cc(C(F)(F)F)c2)nc1 ZINC000811645905 1284478183 /nfs/dbraw/zinc/47/81/83/1284478183.db2.gz DUSUWTDORJRYRD-UHFFFAOYSA-N -1 0 325.246 2.950 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000811665709 1284494501 /nfs/dbraw/zinc/49/45/01/1284494501.db2.gz SJTWUPMKIJVWSF-AWEZNQCLSA-N -1 0 328.368 2.541 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3cncc(C#N)c3)ccc2c1 ZINC000811701798 1284514212 /nfs/dbraw/zinc/51/42/12/1284514212.db2.gz RBGUDAGMEMSJAQ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(F)cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000812224267 1284975876 /nfs/dbraw/zinc/97/58/76/1284975876.db2.gz IFTQRSNJUSAICN-UHFFFAOYSA-N -1 0 329.356 2.715 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ncoc1C ZINC000105757130 1285135251 /nfs/dbraw/zinc/13/52/51/1285135251.db2.gz GWRBVZFSHBURLE-JTQLQIEISA-N -1 0 347.758 2.915 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2c(C)nn(C)c2Cl)cc1CC(=O)[O-] ZINC000812495371 1285180871 /nfs/dbraw/zinc/18/08/71/1285180871.db2.gz NTKOUGYCDOKPLD-WAYWQWQTSA-N -1 0 348.786 2.914 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCCC2CC2)cc1Cl ZINC000813066812 1285627098 /nfs/dbraw/zinc/62/70/98/1285627098.db2.gz IKORCLVHIPVYHP-UHFFFAOYSA-N -1 0 326.805 2.597 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000813677551 1286060983 /nfs/dbraw/zinc/06/09/83/1286060983.db2.gz AFICGLNTEJNPLV-MRXNPFEDSA-N -1 0 332.363 2.892 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1 ZINC000814015870 1286238484 /nfs/dbraw/zinc/23/84/84/1286238484.db2.gz JFDAXQPHOJZJTJ-INIZCTEOSA-N -1 0 328.393 2.769 20 30 EFEDRM N#Cc1ccncc1N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000814176830 1286358357 /nfs/dbraw/zinc/35/83/57/1286358357.db2.gz VVCYVSYWHRPEHT-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM Cc1nocc1Nc1ncc(C#N)cc1I ZINC001212718506 1286517946 /nfs/dbraw/zinc/51/79/46/1286517946.db2.gz KYBPRKWSGGLVPG-UHFFFAOYSA-N -1 0 326.097 2.598 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814685198 1286896040 /nfs/dbraw/zinc/89/60/40/1286896040.db2.gz MPEPYWSIZPLBKA-RKDXNWHRSA-N -1 0 336.304 2.792 20 30 EFEDRM C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000814685150 1286896132 /nfs/dbraw/zinc/89/61/32/1286896132.db2.gz LYLJKNZYJYYTBD-GZMMTYOYSA-N -1 0 336.304 2.792 20 30 EFEDRM CC(N=Nc1ccc(Cl)nn1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814697801 1286919511 /nfs/dbraw/zinc/91/95/11/1286919511.db2.gz DHRXAXCIEIOHRE-JTQLQIEISA-N -1 0 334.763 2.818 20 30 EFEDRM CO[C@@H]1C[C@@H](c2ccccc2)CCC1N=Nc1nnc(C)c(=O)[n-]1 ZINC000814734698 1286974801 /nfs/dbraw/zinc/97/48/01/1286974801.db2.gz HJNWTHSCXSGOQK-DZGCQCFKSA-N -1 0 327.388 2.636 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001174314504 1286975674 /nfs/dbraw/zinc/97/56/74/1286975674.db2.gz IZECKZIMJMTLSG-UHFFFAOYSA-N -1 0 349.437 2.853 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000814765803 1287010572 /nfs/dbraw/zinc/01/05/72/1287010572.db2.gz TWZBJGJLIQVYQI-CYBMUJFWSA-N -1 0 346.412 2.616 20 30 EFEDRM N#Cc1cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)ccc1Cl ZINC001174404764 1287013839 /nfs/dbraw/zinc/01/38/39/1287013839.db2.gz DFFCWBTYTPHXFV-UHFFFAOYSA-N -1 0 329.743 2.770 20 30 EFEDRM Cc1cc(C)n(N=Cc2cccc(C(=O)[O-])c2Cl)c(=O)c1C#N ZINC000814773673 1287017069 /nfs/dbraw/zinc/01/70/69/1287017069.db2.gz MQEMUSXOXBFMFK-UHFFFAOYSA-N -1 0 329.743 2.571 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)NCCc2cccs2)CC[C@@H]1C(=O)[O-] ZINC000814791831 1287022395 /nfs/dbraw/zinc/02/23/95/1287022395.db2.gz AUMJSBJWONUCQZ-MFKMUULPSA-N -1 0 339.486 2.632 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1cnccn1 ZINC000814797647 1287028398 /nfs/dbraw/zinc/02/83/98/1287028398.db2.gz SFNYLMDXNJEWIO-ZDUSSCGKSA-N -1 0 328.372 2.749 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ncccn1 ZINC000814797344 1287028563 /nfs/dbraw/zinc/02/85/63/1287028563.db2.gz GTTWRUGZZWRDLZ-ZDUSSCGKSA-N -1 0 328.372 2.749 20 30 EFEDRM O=S(=O)(Cc1ccccc1)NN=Cc1cc(Cl)c(F)cc1[O-] ZINC000814816748 1287047815 /nfs/dbraw/zinc/04/78/15/1287047815.db2.gz UTHRXCODEHVTDO-UHFFFAOYSA-N -1 0 342.779 2.638 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2nc(-c3ccncc3)no2)C1 ZINC000814827355 1287065499 /nfs/dbraw/zinc/06/54/99/1287065499.db2.gz GRYZEUHJAPWGHY-UHFFFAOYSA-N -1 0 349.350 2.716 20 30 EFEDRM CC(N=Nc1nc(-c2ccncc2)no1)c1csc(C(=O)[O-])c1 ZINC000814827870 1287067596 /nfs/dbraw/zinc/06/75/96/1287067596.db2.gz YYXDTPZTCWJXEP-UHFFFAOYSA-N -1 0 329.341 2.727 20 30 EFEDRM CC(N=Nc1ccc(-n2cccn2)nn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814806518 1287071249 /nfs/dbraw/zinc/07/12/49/1287071249.db2.gz DRUFLEQMIHKQSV-OLZOCXBDSA-N -1 0 342.403 2.587 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814831686 1287078393 /nfs/dbraw/zinc/07/83/93/1287078393.db2.gz MWVKJMAQBXCWQR-WCQYABFASA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000814838752 1287086216 /nfs/dbraw/zinc/08/62/16/1287086216.db2.gz AGFBSEPAIQPIBL-NWDGAFQWSA-N -1 0 348.472 2.916 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1cccnn1 ZINC000814852722 1287099338 /nfs/dbraw/zinc/09/93/38/1287099338.db2.gz MHFATWNOZCCMGQ-CYBMUJFWSA-N -1 0 328.372 2.749 20 30 EFEDRM COCCON=C1CC(C(=O)[O-])(c2cccc(Br)c2)C1 ZINC000814864563 1287106421 /nfs/dbraw/zinc/10/64/21/1287106421.db2.gz DDFOOJOFFZFFOF-UHFFFAOYSA-N -1 0 342.189 2.584 20 30 EFEDRM C[C@H](NC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C)C1CC1 ZINC000814865924 1287109767 /nfs/dbraw/zinc/10/97/67/1287109767.db2.gz CQYCNQKJDJYRLZ-JBLDHEPKSA-N -1 0 325.478 2.762 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174675546 1287109937 /nfs/dbraw/zinc/10/99/37/1287109937.db2.gz OIMBBJAJANJKAL-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM N#Cc1c(C#N)c(=NOC[C@H]2CCOC2)[n-]c2c1CCCCCC2 ZINC000795175126 1287113723 /nfs/dbraw/zinc/11/37/23/1287113723.db2.gz VTUAMNFWMAKQPA-ZDUSSCGKSA-N -1 0 326.400 2.864 20 30 EFEDRM COC(=O)c1ccc(N=NC2CCCc3cc(C(=O)[O-])ccc32)nc1 ZINC000814888728 1287129749 /nfs/dbraw/zinc/12/97/49/1287129749.db2.gz MURHXOZZLQJQEP-UHFFFAOYSA-N -1 0 339.351 2.719 20 30 EFEDRM CC(N=Nc1cc(Cl)nc(N)n1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814899515 1287138813 /nfs/dbraw/zinc/13/88/13/1287138813.db2.gz ZZGQXVRHDSQZFT-BDAKNGLRSA-N -1 0 325.800 2.637 20 30 EFEDRM CC(C)(C)OC(=O)CCNN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814901239 1287141462 /nfs/dbraw/zinc/14/14/62/1287141462.db2.gz FKTXAFBNKRMLGT-UHFFFAOYSA-N -1 0 326.780 2.694 20 30 EFEDRM CCC(N=Nc1nc[nH]n1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814932076 1287165294 /nfs/dbraw/zinc/16/52/94/1287165294.db2.gz NINYMOQZPAEYFT-UHFFFAOYSA-N -1 0 331.376 2.665 20 30 EFEDRM CC[C@H](NN=C1COc2c1cc(Cl)cc2Br)C(=O)[O-] ZINC000814938007 1287168863 /nfs/dbraw/zinc/16/88/63/1287168863.db2.gz TWBHMLVSQDBALL-VIFPVBQESA-N -1 0 347.596 2.652 20 30 EFEDRM O=C([O-])c1cccc(CN=Nc2nc(-c3cccnc3)no2)c1Cl ZINC000814950316 1287183177 /nfs/dbraw/zinc/18/31/77/1287183177.db2.gz AJJANEFAFJZHLE-UHFFFAOYSA-N -1 0 343.730 2.929 20 30 EFEDRM O=C([O-])CNN=Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000814958556 1287187395 /nfs/dbraw/zinc/18/73/95/1287187395.db2.gz AOZNWDCBNAEJSK-UHFFFAOYSA-N -1 0 331.759 2.600 20 30 EFEDRM CC(C)Sc1cc(Br)ccc1C=NNCC(=O)[O-] ZINC000814958995 1287188327 /nfs/dbraw/zinc/18/83/27/1287188327.db2.gz FFIYPWSUSOODTF-UHFFFAOYSA-N -1 0 331.235 2.958 20 30 EFEDRM O=C([N-]OCCC1CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000815792235 1287839431 /nfs/dbraw/zinc/83/94/31/1287839431.db2.gz UNRGREBBCIJNJE-UHFFFAOYSA-N -1 0 348.402 2.873 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815908361 1287877740 /nfs/dbraw/zinc/87/77/40/1287877740.db2.gz ZKOJVKWIVZJVBJ-QGZVFWFLSA-N -1 0 338.407 2.977 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1 ZINC000815909094 1287879052 /nfs/dbraw/zinc/87/90/52/1287879052.db2.gz QPILTMPCFOAWIZ-NSHDSACASA-N -1 0 325.324 2.522 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C)oc1C ZINC000815909298 1287879357 /nfs/dbraw/zinc/87/93/57/1287879357.db2.gz WWHPRVROHVKVIG-LBPRGKRZSA-N -1 0 327.340 2.651 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000815897907 1287888654 /nfs/dbraw/zinc/88/86/54/1287888654.db2.gz LPMUFSFXBMIMOY-UHFFFAOYSA-N -1 0 331.384 2.937 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000815898950 1287889761 /nfs/dbraw/zinc/88/97/61/1287889761.db2.gz ZSAMZKSRZCWTNW-UHFFFAOYSA-N -1 0 343.273 2.722 20 30 EFEDRM CCn1nc(C)c(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000815899359 1287889838 /nfs/dbraw/zinc/88/98/38/1287889838.db2.gz OABXXDGFRJUKJR-ZDUSSCGKSA-N -1 0 335.367 2.602 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)cc1Cl ZINC000815940701 1287899423 /nfs/dbraw/zinc/89/94/23/1287899423.db2.gz BWYWCYVZAGDOPX-UHFFFAOYSA-N -1 0 342.779 2.814 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815913470 1287905392 /nfs/dbraw/zinc/90/53/92/1287905392.db2.gz SNDMXTNIQHRWCC-ZDUSSCGKSA-N -1 0 343.333 2.894 20 30 EFEDRM CS(=O)(=O)c1ccc([N-]c2oncc2C#N)c(C(F)(F)F)c1 ZINC001176403736 1287980358 /nfs/dbraw/zinc/98/03/58/1287980358.db2.gz RCDVLPNCHXLMJR-UHFFFAOYSA-N -1 0 331.275 2.712 20 30 EFEDRM C=CCn1cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cn1 ZINC001176546301 1288018450 /nfs/dbraw/zinc/01/84/50/1288018450.db2.gz RECAZEOEDLXHKA-UHFFFAOYSA-N -1 0 345.380 2.918 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664713 1288059927 /nfs/dbraw/zinc/05/99/27/1288059927.db2.gz YJBSMKXACGKGBD-UHFFFAOYSA-N -1 0 338.289 2.973 20 30 EFEDRM CC(=O)Nc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C#N ZINC001176679803 1288068114 /nfs/dbraw/zinc/06/81/14/1288068114.db2.gz OGTXNTMDXQUGEN-UHFFFAOYSA-N -1 0 340.295 2.867 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679061 1288068123 /nfs/dbraw/zinc/06/81/23/1288068123.db2.gz BMZQHTWUTQMTAH-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM COC(=O)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C#N ZINC001176678876 1288068134 /nfs/dbraw/zinc/06/81/34/1288068134.db2.gz CRKUHJIXONDFFE-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]Oc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000816684153 1288244527 /nfs/dbraw/zinc/24/45/27/1288244527.db2.gz OZYVJVYHBOEHMB-LJQANCHMSA-N -1 0 344.411 2.890 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cn2)c([O-])cc1F ZINC001177155450 1288295400 /nfs/dbraw/zinc/29/54/00/1288295400.db2.gz XQGLZTNJFLDGSZ-UHFFFAOYSA-N -1 0 339.248 2.998 20 30 EFEDRM Cc1cc(C#N)c(NC(=O)CSc2n[n-]c(=S)s2)s1 ZINC001177337890 1288397445 /nfs/dbraw/zinc/39/74/45/1288397445.db2.gz XTCRSNHHMSYLHF-UHFFFAOYSA-N -1 0 328.469 2.799 20 30 EFEDRM CC(F)(F)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000797099967 1288468682 /nfs/dbraw/zinc/46/86/82/1288468682.db2.gz TVYMWEWVOMCZJI-UHFFFAOYSA-N -1 0 342.367 2.552 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2ccnc(C(F)(F)F)c2)c([O-])cc1F ZINC001177570658 1288480129 /nfs/dbraw/zinc/48/01/29/1288480129.db2.gz GFVVBORNOJDRBZ-UHFFFAOYSA-N -1 0 339.248 2.998 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(F)c2C)n1 ZINC000817244205 1288485729 /nfs/dbraw/zinc/48/57/29/1288485729.db2.gz HYOGGVSSCYGDCJ-GFCCVEGCSA-N -1 0 332.356 2.932 20 30 EFEDRM CC(=NN[C@@H]1CCC[C@H]1O)c1cc(Br)cc(F)c1[O-] ZINC000817335562 1288556686 /nfs/dbraw/zinc/55/66/86/1288556686.db2.gz JKAUXUALCPQHSK-VXGBXAGGSA-N -1 0 331.185 2.521 20 30 EFEDRM N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001177915678 1288590293 /nfs/dbraw/zinc/59/02/93/1288590293.db2.gz ASRRCGJGZJOULB-LBPRGKRZSA-N -1 0 338.392 2.960 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nnn[n-]3)cc2)cc1 ZINC001136454922 1288726235 /nfs/dbraw/zinc/72/62/35/1288726235.db2.gz OVMKXIFYJDMDDQ-UHFFFAOYSA-N -1 0 348.366 2.825 20 30 EFEDRM CC1N=NC(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)=C1[O-] ZINC001136450015 1288731446 /nfs/dbraw/zinc/73/14/46/1288731446.db2.gz DRRPHTSETXXBKI-UHFFFAOYSA-N -1 0 335.323 2.735 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000123009922 1305219681 /nfs/dbraw/zinc/21/96/81/1305219681.db2.gz BWMQPNWRQLKPPO-NSHDSACASA-N -1 0 337.257 2.524 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc3c(c2)COC3)CCCC1 ZINC000821764554 1288791160 /nfs/dbraw/zinc/79/11/60/1288791160.db2.gz BTOCRBPMALLOJT-UHFFFAOYSA-N -1 0 349.452 2.799 20 30 EFEDRM N#Cc1cc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c([O-])cc1F ZINC001178805730 1288917070 /nfs/dbraw/zinc/91/70/70/1288917070.db2.gz HEZYCWFWYHNKIV-INIZCTEOSA-N -1 0 325.299 2.859 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC000823372014 1289281596 /nfs/dbraw/zinc/28/15/96/1289281596.db2.gz RYQWPRPMXORYDP-INIZCTEOSA-N -1 0 328.368 2.701 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCC[C@H]3C(=O)[O-])sc2C1 ZINC000872869935 1289435765 /nfs/dbraw/zinc/43/57/65/1289435765.db2.gz WTPJCVXSZXGYHR-ADEWGFFLSA-N -1 0 348.424 2.563 20 30 EFEDRM CC(C)(SCC(=O)[O-])C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000872874312 1289437908 /nfs/dbraw/zinc/43/79/08/1289437908.db2.gz ACFRDFQTBFDKDF-CQSZACIVSA-N -1 0 332.425 2.648 20 30 EFEDRM C=C(Br)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000872914543 1289462464 /nfs/dbraw/zinc/46/24/64/1289462464.db2.gz LFKUKKSWDUAISB-AWEZNQCLSA-N -1 0 344.180 2.583 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CC(=O)NO[C@@H](C)C=C)c1ccc(C)cc1 ZINC000824033166 1289516868 /nfs/dbraw/zinc/51/68/68/1289516868.db2.gz DPHJFBOPSMHNID-ZOBUZTSGSA-N -1 0 346.427 2.713 20 30 EFEDRM CC(C)CN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000824234542 1289578598 /nfs/dbraw/zinc/57/85/98/1289578598.db2.gz MIUACURSUJTQMN-UHFFFAOYSA-N -1 0 348.353 2.868 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(O)cc23)c([O-])cc1F ZINC001180663810 1289600859 /nfs/dbraw/zinc/60/08/59/1289600859.db2.gz LSHCOMCVQJJOSB-UHFFFAOYSA-N -1 0 325.299 2.771 20 30 EFEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cc1 ZINC000124489479 1289764700 /nfs/dbraw/zinc/76/47/00/1289764700.db2.gz FODSEZBSYNBLAB-GOSISDBHSA-N -1 0 349.390 2.702 20 30 EFEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C#N)ccc1[O-] ZINC001232675753 1312758391 /nfs/dbraw/zinc/75/83/91/1312758391.db2.gz UTJZUOOJMFILJF-ZDUSSCGKSA-N -1 0 331.416 2.705 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000091443707 1290077517 /nfs/dbraw/zinc/07/75/17/1290077517.db2.gz MPDVQTFRIMVQGB-UHFFFAOYSA-N -1 0 343.405 2.506 20 30 EFEDRM Cc1ccccc1C(=O)N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232677845 1312759455 /nfs/dbraw/zinc/75/94/55/1312759455.db2.gz LGXDRXQRZDFMOC-UHFFFAOYSA-N -1 0 335.407 2.530 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@@H]1F ZINC001232678926 1312759809 /nfs/dbraw/zinc/75/98/09/1312759809.db2.gz VCUWODXEXSUDEL-LSDHHAIUSA-N -1 0 349.406 2.701 20 30 EFEDRM COc1ccc(C2(C(=O)Nc3ccc(C#N)cc3O)CC2)c(OC)c1 ZINC001184141406 1290423989 /nfs/dbraw/zinc/42/39/89/1290423989.db2.gz KOAJSWKRKGMLQD-UHFFFAOYSA-N -1 0 338.363 2.951 20 30 EFEDRM N#Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3[S-])OC2=O)c1 ZINC001184377423 1290451942 /nfs/dbraw/zinc/45/19/42/1290451942.db2.gz CZBJZLXQYIESJP-CQSZACIVSA-N -1 0 339.376 2.811 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCOc3ccccc3O2)c([O-])cc1F ZINC001184716792 1290497971 /nfs/dbraw/zinc/49/79/71/1290497971.db2.gz SRUDHNCMVYTHJO-INIZCTEOSA-N -1 0 328.299 2.572 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000091843942 1290516155 /nfs/dbraw/zinc/51/61/55/1290516155.db2.gz MCXBEVXIFKGAAP-MRXNPFEDSA-N -1 0 338.473 2.983 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1F ZINC001184884827 1290537095 /nfs/dbraw/zinc/53/70/95/1290537095.db2.gz LOTJOZASBRBDGQ-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccnc2Cl)cc1F ZINC001184881071 1290544996 /nfs/dbraw/zinc/54/49/96/1290544996.db2.gz XKYAKOCTKJEZFO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185099304 1290586348 /nfs/dbraw/zinc/58/63/48/1290586348.db2.gz SSWXWJIZBZFYBL-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)c(-c2cccs2)n1 ZINC000091887757 1290590836 /nfs/dbraw/zinc/59/08/36/1290590836.db2.gz ZHVWGEVYPYFELT-UHFFFAOYSA-N -1 0 339.442 2.583 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185192370 1290606020 /nfs/dbraw/zinc/60/60/20/1290606020.db2.gz OBXZTYHQEFNTBN-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185191627 1290613779 /nfs/dbraw/zinc/61/37/79/1290613779.db2.gz IDBSTUSNMMXWOT-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccsc2)cc1C(F)(F)F ZINC001185351546 1290648258 /nfs/dbraw/zinc/64/82/58/1290648258.db2.gz ARRWGGBMYZSBFT-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM C=C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC001185341032 1290657549 /nfs/dbraw/zinc/65/75/49/1290657549.db2.gz VDSGIRBMQKGJQV-OAHLLOKOSA-N -1 0 347.392 2.599 20 30 EFEDRM N#Cc1cc(NC(=O)Cn2cnc3ccc(F)cc32)c([O-])cc1F ZINC001185341537 1290658621 /nfs/dbraw/zinc/65/86/21/1290658621.db2.gz IKYFFBRUANNPKS-UHFFFAOYSA-N -1 0 328.278 2.530 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C ZINC000092313609 1290677017 /nfs/dbraw/zinc/67/70/17/1290677017.db2.gz LWUNCRVMIBBMBW-UHFFFAOYSA-N -1 0 335.429 2.720 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(C#N)c1 ZINC001185905891 1290782050 /nfs/dbraw/zinc/78/20/50/1290782050.db2.gz AHUOYQZTPIWBRC-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c(C#N)c1C ZINC001185946164 1290788979 /nfs/dbraw/zinc/78/89/79/1290788979.db2.gz NABRWABMNVONDZ-UHFFFAOYSA-N -1 0 332.410 2.914 20 30 EFEDRM C=CCOCc1nn(C)c2c1CN(C(=O)c1cccc([S-])c1)CC2 ZINC001186141022 1290876694 /nfs/dbraw/zinc/87/66/94/1290876694.db2.gz OIGZSQRGQOCVDW-UHFFFAOYSA-N -1 0 343.452 2.610 20 30 EFEDRM C=CCOC(=O)N1CCC(CNC(=O)c2cccc([S-])c2)CC1 ZINC001186167022 1290896885 /nfs/dbraw/zinc/89/68/85/1290896885.db2.gz GHFPTEJVVYTRML-UHFFFAOYSA-N -1 0 334.441 2.740 20 30 EFEDRM COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000093243251 1291082843 /nfs/dbraw/zinc/08/28/43/1291082843.db2.gz IKFJTMJKGZAFLZ-UHFFFAOYSA-N -1 0 346.408 2.663 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC001187139204 1291110804 /nfs/dbraw/zinc/11/08/04/1291110804.db2.gz BSNVHYCUIWKYJX-UHFFFAOYSA-N -1 0 337.813 2.831 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796770184 1291133684 /nfs/dbraw/zinc/13/36/84/1291133684.db2.gz AOXZWQIIDIIRCN-VIFPVBQESA-N -1 0 348.346 2.632 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2nccs2)ccc1N1CCCCC1 ZINC001187894880 1291255293 /nfs/dbraw/zinc/25/52/93/1291255293.db2.gz QRHZRBRZAPEGMV-UHFFFAOYSA-N -1 0 348.453 2.806 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O ZINC001187992957 1291281106 /nfs/dbraw/zinc/28/11/06/1291281106.db2.gz AQNSEIILCHRBKL-UHFFFAOYSA-N -1 0 347.868 2.936 20 30 EFEDRM CCCCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188292268 1291352077 /nfs/dbraw/zinc/35/20/77/1291352077.db2.gz CORRXPFTCKPSRT-UHFFFAOYSA-N -1 0 344.820 2.743 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(OC(F)(F)F)c1 ZINC001188607522 1291420190 /nfs/dbraw/zinc/42/01/90/1291420190.db2.gz GZKKFMPLVPDOOX-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000903554972 1312858848 /nfs/dbraw/zinc/85/88/48/1312858848.db2.gz WUYOBYUPZAHKQP-UHFFFAOYSA-N -1 0 341.429 2.517 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1sc(C2CCCCC2)nc1C ZINC000775227170 1291626150 /nfs/dbraw/zinc/62/61/50/1291626150.db2.gz MESKVGKOZWTIOM-ZDUSSCGKSA-N -1 0 349.456 2.584 20 30 EFEDRM Cc1c(N=Cc2cc([N+](=O)[O-])ccc2[O-])cccc1N1CCNC1=O ZINC000775233209 1291659451 /nfs/dbraw/zinc/65/94/51/1291659451.db2.gz MNSKSZASAYFMTH-UHFFFAOYSA-N -1 0 340.339 2.889 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189308691 1291667899 /nfs/dbraw/zinc/66/78/99/1291667899.db2.gz APJNHJKQNGNUEX-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c(C#N)c1 ZINC001212782526 1291711162 /nfs/dbraw/zinc/71/11/62/1291711162.db2.gz BRUFXUVJNUPEPA-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)o1 ZINC001189501114 1291739262 /nfs/dbraw/zinc/73/92/62/1291739262.db2.gz JLVMVICTYIIFNS-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)c1 ZINC001189610721 1291782795 /nfs/dbraw/zinc/78/27/95/1291782795.db2.gz MIBOTKORQBJZMW-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(C#N)c1 ZINC001189687332 1291802135 /nfs/dbraw/zinc/80/21/35/1291802135.db2.gz SBMVLSFCXGPECN-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2ccc(F)cc2F)SCC1=O ZINC001189789522 1291862377 /nfs/dbraw/zinc/86/23/77/1291862377.db2.gz YMROSNNSKKSWBI-UHFFFAOYSA-N -1 0 330.337 2.545 20 30 EFEDRM Cn1cc(NC(=O)c2cc(Br)ccc2[S-])c(C#N)n1 ZINC001189951478 1291943348 /nfs/dbraw/zinc/94/33/48/1291943348.db2.gz PDIOLRBSMDKFHB-UHFFFAOYSA-N -1 0 337.202 2.595 20 30 EFEDRM C=CCN1CCN(C(=O)c2cc(Br)ccc2[S-])CC1 ZINC001189951842 1291943838 /nfs/dbraw/zinc/94/38/38/1291943838.db2.gz VSUULXRNMIMYOI-UHFFFAOYSA-N -1 0 341.274 2.682 20 30 EFEDRM C#Cc1cc(=NC(=O)c2cc(Br)ccc2[S-])cc[nH]1 ZINC001189952460 1291945023 /nfs/dbraw/zinc/94/50/23/1291945023.db2.gz XUSQAOJVEZUJSM-UHFFFAOYSA-N -1 0 333.210 2.788 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)ccc1F ZINC001190062614 1291980251 /nfs/dbraw/zinc/98/02/51/1291980251.db2.gz AUYLGXWXNZIXKL-UHFFFAOYSA-N -1 0 341.389 2.580 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)ccc1F ZINC001190097430 1291984427 /nfs/dbraw/zinc/98/44/27/1291984427.db2.gz WTOBSVABRQYRHA-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)ccc1F ZINC001190106585 1291987019 /nfs/dbraw/zinc/98/70/19/1291987019.db2.gz AGMXHLFJZZVONA-UHFFFAOYSA-N -1 0 335.360 2.519 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)nc1C#N ZINC001203322099 1312907348 /nfs/dbraw/zinc/90/73/48/1312907348.db2.gz ROJDFGKTVLRTCO-UHFFFAOYSA-N -1 0 335.657 2.593 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190616559 1292228170 /nfs/dbraw/zinc/22/81/70/1292228170.db2.gz XDILGYCDUXTENP-UHFFFAOYSA-N -1 0 346.387 2.926 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2nsc3ncccc23)c1 ZINC001190617395 1292228911 /nfs/dbraw/zinc/22/89/11/1292228911.db2.gz JFRGXLTWUULXDU-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190619555 1292229180 /nfs/dbraw/zinc/22/91/80/1292229180.db2.gz SJIXPCIIXIJTRP-UHFFFAOYSA-N -1 0 348.403 2.803 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnc(C(F)(F)F)c2)c1 ZINC001190611010 1292248524 /nfs/dbraw/zinc/24/85/24/1292248524.db2.gz ILPVNOLTHKGBHK-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC001190657932 1292250306 /nfs/dbraw/zinc/25/03/06/1292250306.db2.gz NKQIJQAFZHTIBI-UHFFFAOYSA-N -1 0 344.323 2.605 20 30 EFEDRM CC(C)(O)c1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648065 1292262682 /nfs/dbraw/zinc/26/26/82/1292262682.db2.gz RNKKKYWPQIAWHW-UHFFFAOYSA-N -1 0 334.372 2.726 20 30 EFEDRM CN1CCCc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc21 ZINC001190647879 1292263036 /nfs/dbraw/zinc/26/30/36/1292263036.db2.gz LQBDPIASTMSQGC-UHFFFAOYSA-N -1 0 345.399 2.881 20 30 EFEDRM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655647 1292267811 /nfs/dbraw/zinc/26/78/11/1292267811.db2.gz IUZNLTXUDCCQBQ-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)cc(F)c2C(=O)OCC)CC1 ZINC001190815813 1292324266 /nfs/dbraw/zinc/32/42/66/1292324266.db2.gz XLQVHCHJOLEIFF-UHFFFAOYSA-N -1 0 345.367 2.992 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190938895 1292377736 /nfs/dbraw/zinc/37/77/36/1292377736.db2.gz DQGDAMJMISKHDG-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM COc1nc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937458 1292378297 /nfs/dbraw/zinc/37/82/97/1292378297.db2.gz MQTUXSDBNUCMFA-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)cn1 ZINC001190942456 1292380306 /nfs/dbraw/zinc/38/03/06/1292380306.db2.gz HXQKZZHETJNFTJ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190942259 1292380627 /nfs/dbraw/zinc/38/06/27/1292380627.db2.gz BDCOAYALRODWQJ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1 ZINC001190971775 1292405941 /nfs/dbraw/zinc/40/59/41/1292405941.db2.gz UEUOQZBTRTVRFT-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C#N)cnc2C)c1 ZINC001191153490 1292480744 /nfs/dbraw/zinc/48/07/44/1292480744.db2.gz KTXUZNWIPRSBBC-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(COc2ccc(C)nc2)c1 ZINC000114618069 1312933947 /nfs/dbraw/zinc/93/39/47/1312933947.db2.gz CIPJKARIGGJYIZ-SFHVURJKSA-N -1 0 349.390 2.594 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(Br)o1 ZINC001191628290 1292585860 /nfs/dbraw/zinc/58/58/60/1292585860.db2.gz BSICIJFYDVHLBU-UHFFFAOYSA-N -1 0 340.108 2.714 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cncc(C#N)n2)c1Cl ZINC001191728973 1292625405 /nfs/dbraw/zinc/62/54/05/1292625405.db2.gz PXOGOWSETGYARM-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CC1(C)CC(=O)C=C(NC(=O)c2nc(Br)ccc2[O-])C1 ZINC001191749784 1292648651 /nfs/dbraw/zinc/64/86/51/1292648651.db2.gz WPRASUDTQKZJRN-UHFFFAOYSA-N -1 0 339.189 2.553 20 30 EFEDRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001192311419 1292864011 /nfs/dbraw/zinc/86/40/11/1292864011.db2.gz YHZKTPMUYHBRHB-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CCOC(=O)CN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203584679 1312963008 /nfs/dbraw/zinc/96/30/08/1312963008.db2.gz DTZXOJZXOUDDAS-UHFFFAOYSA-N -1 0 331.199 2.978 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cnc1Cl ZINC001192576675 1292929256 /nfs/dbraw/zinc/92/92/56/1292929256.db2.gz RHDPDGZSVYFDNN-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)cnc2C)c1 ZINC001192775217 1293032412 /nfs/dbraw/zinc/03/24/12/1293032412.db2.gz KSICEQBPMQEQGM-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cnccc2Cl)c1C#N ZINC001192864957 1293069030 /nfs/dbraw/zinc/06/90/30/1293069030.db2.gz YXBAGRXNDAZHOJ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192900364 1293093735 /nfs/dbraw/zinc/09/37/35/1293093735.db2.gz IGZUAEJHJVJQJR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001192928838 1293112605 /nfs/dbraw/zinc/11/26/05/1293112605.db2.gz JMDJVALTSHXJMB-UHFFFAOYSA-N -1 0 334.784 2.836 20 30 EFEDRM COc1cc(Br)c([O-])c(NC(=O)c2cnccc2C#N)c1 ZINC001192974344 1293129039 /nfs/dbraw/zinc/12/90/39/1293129039.db2.gz TUYCZHCBFBIPDX-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21 ZINC001193051796 1293134315 /nfs/dbraw/zinc/13/43/15/1293134315.db2.gz GNNMMXDBQHQNRX-UHFFFAOYSA-N -1 0 346.408 2.795 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001193106480 1293171687 /nfs/dbraw/zinc/17/16/87/1293171687.db2.gz QKSSOZBHOPPBDJ-MRVPVSSYSA-N -1 0 343.311 2.597 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc2cc(Br)ccc2cn1 ZINC001193107273 1293171924 /nfs/dbraw/zinc/17/19/24/1293171924.db2.gz SGNHNXMBBJGUSK-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM COC(=O)c1oc2cccc(Cl)c2c1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193107403 1293172495 /nfs/dbraw/zinc/17/24/95/1293172495.db2.gz VJVMFGOJYYUWHZ-SSDOTTSWSA-N -1 0 342.760 2.527 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2c(cccc2C(F)(F)F)c1 ZINC001193111528 1293173852 /nfs/dbraw/zinc/17/38/52/1293173852.db2.gz IPWUYYMLBRBGCP-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)C(F)(F)F ZINC001193150257 1293187626 /nfs/dbraw/zinc/18/76/26/1293187626.db2.gz DGUUHUCGNQYBMV-ZCFIWIBFSA-N -1 0 340.710 2.739 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001193157140 1293188213 /nfs/dbraw/zinc/18/82/13/1293188213.db2.gz BJXQLWSXEJUWAX-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc2ncccc12 ZINC001193158921 1293188319 /nfs/dbraw/zinc/18/83/19/1293188319.db2.gz WKRLENPDBUOPIP-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)cc2ncccc12 ZINC001193158854 1293188800 /nfs/dbraw/zinc/18/88/00/1293188800.db2.gz VNUDLDRNJIGLBL-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1F ZINC001193157424 1293188810 /nfs/dbraw/zinc/18/88/10/1293188810.db2.gz DPYSIDVBMMKKIW-RXMQYKEDSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)cncc12 ZINC001193157906 1293188972 /nfs/dbraw/zinc/18/89/72/1293188972.db2.gz JOFCHZNCMMJKMW-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)OCc2ccccc2)c1 ZINC001193161826 1293189909 /nfs/dbraw/zinc/18/99/09/1293189909.db2.gz UHIYXSIKWBXUJK-ZDUSSCGKSA-N -1 0 344.392 2.697 20 30 EFEDRM CC(C)Oc1cc(Br)ccc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193159038 1293190503 /nfs/dbraw/zinc/19/05/03/1293190503.db2.gz ZCUBJFNSOAYUSG-SECBINFHSA-N -1 0 347.234 2.890 20 30 EFEDRM Cc1ccc(Br)nc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193497857 1293325400 /nfs/dbraw/zinc/32/54/00/1293325400.db2.gz DGXKVOLMBCSQKK-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM Cc1ccc(C)c(N2CCN(C(=O)c3ccc([O-])c(C#N)c3)CC2)c1 ZINC001193494367 1293325656 /nfs/dbraw/zinc/32/56/56/1293325656.db2.gz KUBOXRVFYIZCLW-UHFFFAOYSA-N -1 0 335.407 2.843 20 30 EFEDRM N#Cc1cc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)ccc1[O-] ZINC001193503814 1293335047 /nfs/dbraw/zinc/33/50/47/1293335047.db2.gz HEUHIKZSVUBKJU-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM Cc1ccc([C@]2(C)CN(C(=O)c3ccc([O-])c(C#N)c3)CCO2)cc1 ZINC001193503799 1293335137 /nfs/dbraw/zinc/33/51/37/1293335137.db2.gz HAIFDWKDQAWZES-FQEVSTJZSA-N -1 0 336.391 2.960 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000130204665 1293339853 /nfs/dbraw/zinc/33/98/53/1293339853.db2.gz YJKRBVPBZHOTAS-UHFFFAOYSA-N -1 0 325.430 2.598 20 30 EFEDRM COC(=O)c1cnc2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc2c1 ZINC001193513030 1293340959 /nfs/dbraw/zinc/34/09/59/1293340959.db2.gz XISQFTVTKBMIGD-UHFFFAOYSA-N -1 0 347.330 2.851 20 30 EFEDRM N#Cc1cc(C(=O)NCc2cc(-c3ccccc3F)no2)ccc1[O-] ZINC001193519069 1293342787 /nfs/dbraw/zinc/34/27/87/1293342787.db2.gz ORTUCSKOIFDINW-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC001193636082 1293377651 /nfs/dbraw/zinc/37/76/51/1293377651.db2.gz KGNJAKHSFKHQKQ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193635718 1293378540 /nfs/dbraw/zinc/37/85/40/1293378540.db2.gz DCCZLSGLSIBYOA-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC001193636042 1293378825 /nfs/dbraw/zinc/37/88/25/1293378825.db2.gz JMZDQKJXDJRJCE-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001193636714 1293380269 /nfs/dbraw/zinc/38/02/69/1293380269.db2.gz YXWRXHROSUOSMF-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C3CCC3)no2)c1 ZINC001193641149 1293381956 /nfs/dbraw/zinc/38/19/56/1293381956.db2.gz SEDPDEOWXRQDJX-UHFFFAOYSA-N -1 0 333.369 2.623 20 30 EFEDRM N#Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1[O-] ZINC001193643659 1293384864 /nfs/dbraw/zinc/38/48/64/1293384864.db2.gz AJJMOJLYHVRTNG-BPQIPLTHSA-N -1 0 340.423 2.931 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCn3cc(-c4ccccc4)nc3C2)c1[O-] ZINC001193646371 1293391842 /nfs/dbraw/zinc/39/18/42/1293391842.db2.gz IGAOBAJHGRFGCH-UHFFFAOYSA-N -1 0 344.374 2.783 20 30 EFEDRM COc1ccc(CN(C)C(=O)c2cccc(C#N)c2[O-])c(OC)c1 ZINC001193647310 1293392739 /nfs/dbraw/zinc/39/27/39/1293392739.db2.gz ZOFWHPRVCXJCLA-UHFFFAOYSA-N -1 0 326.352 2.553 20 30 EFEDRM COCCNc1cccc(F)c1NC(=O)c1cccc(C#N)c1[O-] ZINC001193652303 1293395077 /nfs/dbraw/zinc/39/50/77/1293395077.db2.gz CXCRZMFOWTUQCM-UHFFFAOYSA-N -1 0 329.331 2.714 20 30 EFEDRM CN1c2cc(NC(=O)c3cccc(C#N)c3[O-])ccc2C(C)(C)C1=O ZINC001193652709 1293395232 /nfs/dbraw/zinc/39/52/32/1293395232.db2.gz MUIDECGNAJCXGH-UHFFFAOYSA-N -1 0 335.363 2.770 20 30 EFEDRM CN1Cc2cc(NC(=O)c3cccc(C#N)c3[O-])ccc2N(C)C1=O ZINC001193652786 1293395737 /nfs/dbraw/zinc/39/57/37/1293395737.db2.gz OJVRIQTVBBTNNH-UHFFFAOYSA-N -1 0 336.351 2.518 20 30 EFEDRM Cc1cc(NC(=O)c2cccc(C#N)c2[O-])ccc1N1CCOCC1 ZINC001193652313 1293395920 /nfs/dbraw/zinc/39/59/20/1293395920.db2.gz DIBWMVBMKXBFIP-UHFFFAOYSA-N -1 0 337.379 2.661 20 30 EFEDRM COC(=O)[C@@H]1CCc2cc(NC(=O)c3cccc(C#N)c3[O-])ccc21 ZINC001193652616 1293396064 /nfs/dbraw/zinc/39/60/64/1293396064.db2.gz KEWJDUCJJQSDNY-OAHLLOKOSA-N -1 0 336.347 2.719 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc(C3CC3)s2)c1 ZINC001193654079 1293397945 /nfs/dbraw/zinc/39/79/45/1293397945.db2.gz SWUPVIYICINNQT-UHFFFAOYSA-N -1 0 335.410 2.702 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3onc(C)c3c2)c1 ZINC001193681406 1293407676 /nfs/dbraw/zinc/40/76/76/1293407676.db2.gz XHIAGYFDDQKJGW-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)cc(OC)c2)c1 ZINC001193681373 1293408334 /nfs/dbraw/zinc/40/83/34/1293408334.db2.gz VIFVYHVRHNOOHR-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)c1 ZINC001193687936 1293410449 /nfs/dbraw/zinc/41/04/49/1293410449.db2.gz PGBYUBFTLDFALH-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193770881 1293425819 /nfs/dbraw/zinc/42/58/19/1293425819.db2.gz RWZBNXGRYPKJQJ-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(F)cccc1C(C)(C)C ZINC001233832225 1313001281 /nfs/dbraw/zinc/00/12/81/1313001281.db2.gz WYZFEAKHEMANGQ-GFCCVEGCSA-N -1 0 346.420 2.961 20 30 EFEDRM Cc1ccc(C(=NC(=O)c2ccc([O-])cc2C(F)(F)F)NO)nc1 ZINC001193757969 1293437075 /nfs/dbraw/zinc/43/70/75/1293437075.db2.gz IQBQEYCVOJBETG-UHFFFAOYSA-N -1 0 339.273 2.680 20 30 EFEDRM Cc1cc(O)cc([O-])c1C(=O)N=C(N)c1ccc2cc(O)ccc2c1 ZINC001193945424 1293497227 /nfs/dbraw/zinc/49/72/27/1293497227.db2.gz DKZRHORYUYHBJT-UHFFFAOYSA-N -1 0 336.347 2.811 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)c(C#N)c1 ZINC001194091218 1293528855 /nfs/dbraw/zinc/52/88/55/1293528855.db2.gz DEKMDIGEHBDKPW-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194098284 1293530942 /nfs/dbraw/zinc/53/09/42/1293530942.db2.gz APLCNGKJAAATQG-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)c(F)c1F ZINC001194099984 1293532343 /nfs/dbraw/zinc/53/23/43/1293532343.db2.gz XZCIXWNHGLRJER-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1C#N ZINC001194145935 1293534174 /nfs/dbraw/zinc/53/41/74/1293534174.db2.gz OBYIXWUAAPLRFV-UHFFFAOYSA-N -1 0 344.421 2.821 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1C#N ZINC001194146394 1293535484 /nfs/dbraw/zinc/53/54/84/1293535484.db2.gz XQRXGFRNLGZKCM-UHFFFAOYSA-N -1 0 344.421 2.821 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1[nH]c(C)c(C)c1C#N ZINC001194260862 1293573627 /nfs/dbraw/zinc/57/36/27/1293573627.db2.gz OZGHHMDWHOEBSR-UHFFFAOYSA-N -1 0 335.367 2.955 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N ZINC001194711254 1293703616 /nfs/dbraw/zinc/70/36/16/1293703616.db2.gz JQZBYOYKVJZILL-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)C2CCC(=O)CC2)cccc1C(F)(F)F ZINC001194803327 1293719004 /nfs/dbraw/zinc/71/90/04/1293719004.db2.gz BWFWPEMSXSTQAQ-UHFFFAOYSA-N -1 0 346.330 2.830 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194978516 1293764674 /nfs/dbraw/zinc/76/46/74/1293764674.db2.gz FKEFJFSQEKAMPR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194979037 1293766183 /nfs/dbraw/zinc/76/61/83/1293766183.db2.gz WHBQWLAJQUZWOW-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3nccnc32)c1C#N ZINC001194987205 1293768471 /nfs/dbraw/zinc/76/84/71/1293768471.db2.gz CLECARCKLQVFMB-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cccc3nccnc32)cc1F ZINC001194986590 1293768638 /nfs/dbraw/zinc/76/86/38/1293768638.db2.gz VNNYHJLNBVNDRT-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1ccc(OC(F)(F)F)cc1C#N ZINC001195492896 1293943277 /nfs/dbraw/zinc/94/32/77/1293943277.db2.gz PUMUNLGYIIKOOP-UHFFFAOYSA-N -1 0 333.291 2.900 20 30 EFEDRM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)C(=O)N3CCCC3)c12 ZINC000102117460 1293999252 /nfs/dbraw/zinc/99/92/52/1293999252.db2.gz WIPWFKIBGAPHQZ-CYBMUJFWSA-N -1 0 340.383 2.600 20 30 EFEDRM COC(=O)Cc1c(F)ccc(NC(=O)c2ccc(C#N)cc2[O-])c1F ZINC001195758775 1294014431 /nfs/dbraw/zinc/01/44/31/1294014431.db2.gz SKWAQTFJRYLKIJ-UHFFFAOYSA-N -1 0 346.289 2.510 20 30 EFEDRM COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2[O-])c(OC)c1 ZINC001195742177 1294026625 /nfs/dbraw/zinc/02/66/25/1294026625.db2.gz ZTCUVVCBOALKTM-UHFFFAOYSA-N -1 0 326.352 2.553 20 30 EFEDRM N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3[O-])C2)cc1 ZINC001195751830 1294028924 /nfs/dbraw/zinc/02/89/24/1294028924.db2.gz YFZQVWIRQXZUEA-QGZVFWFLSA-N -1 0 347.374 2.819 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3nn(-c4ccccc4)cc3C2)c([O-])c1 ZINC001195750892 1294028952 /nfs/dbraw/zinc/02/89/52/1294028952.db2.gz ONCRIBSPMMQGQT-UHFFFAOYSA-N -1 0 344.374 2.648 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)s1 ZINC001196130946 1294137098 /nfs/dbraw/zinc/13/70/98/1294137098.db2.gz OSWSXUJSFJDFFF-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CC[C@H](C#N)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196111990 1294143672 /nfs/dbraw/zinc/14/36/72/1294143672.db2.gz XGVGKVKTQQTNQU-OAHLLOKOSA-N -1 0 344.392 2.632 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nccnc1C1CC1 ZINC001196643755 1294302213 /nfs/dbraw/zinc/30/22/13/1294302213.db2.gz UFDCISGWAJTFQD-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2=O ZINC001196680163 1294314070 /nfs/dbraw/zinc/31/40/70/1294314070.db2.gz ZVAXGNOZALCVFY-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2nccn21 ZINC001196639928 1294314120 /nfs/dbraw/zinc/31/41/20/1294314120.db2.gz VUVRJOHVOCSBJZ-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(F)cc1F ZINC001196648472 1294317981 /nfs/dbraw/zinc/31/79/81/1294317981.db2.gz ULBKTTBIYAYRET-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cn1 ZINC001196650657 1294319081 /nfs/dbraw/zinc/31/90/81/1294319081.db2.gz URQYRNKYDPQNGP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nccc2cnccc21 ZINC001196650621 1294319481 /nfs/dbraw/zinc/31/94/81/1294319481.db2.gz SIZKZMHPXKRTJQ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cn(C2CCC2)cn1 ZINC001196651513 1294320110 /nfs/dbraw/zinc/32/01/10/1294320110.db2.gz DWAIDOGRSSEWAA-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM CC(C)Cn1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196651638 1294320878 /nfs/dbraw/zinc/32/08/78/1294320878.db2.gz ILPMCEMSJDGCRG-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196690677 1294346390 /nfs/dbraw/zinc/34/63/90/1294346390.db2.gz RPELRRSHIDYSFA-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1CO ZINC001196689868 1294347217 /nfs/dbraw/zinc/34/72/17/1294347217.db2.gz DALUCCXETSXULK-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM COC(=O)CCCCS(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N ZINC001196965327 1294424584 /nfs/dbraw/zinc/42/45/84/1294424584.db2.gz LFXJIWHCWFJLCW-UHFFFAOYSA-N -1 0 344.820 2.605 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1C ZINC001196990446 1294429111 /nfs/dbraw/zinc/42/91/11/1294429111.db2.gz FDBLLCIIMKMIFR-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccsc1C#N ZINC001196999692 1294432847 /nfs/dbraw/zinc/43/28/47/1294432847.db2.gz CNJFIPLLMXTRDX-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nccc(C(C)(C)C)n1 ZINC000903691301 1313074924 /nfs/dbraw/zinc/07/49/24/1313074924.db2.gz OQUWXULDTLBCOU-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)cc1F ZINC001197040024 1294438385 /nfs/dbraw/zinc/43/83/85/1294438385.db2.gz AWYNZTDSHLRNIE-UHFFFAOYSA-N -1 0 347.367 2.703 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C#N ZINC001197029140 1294444511 /nfs/dbraw/zinc/44/45/11/1294444511.db2.gz HSYVOFDPLBEZSP-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC001197037756 1294447305 /nfs/dbraw/zinc/44/73/05/1294447305.db2.gz YEOOYXJOCOAVNW-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM N#Cc1ccc(CCNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197126909 1294465063 /nfs/dbraw/zinc/46/50/63/1294465063.db2.gz GMZXFKFBULXPFS-UHFFFAOYSA-N -1 0 325.393 2.786 20 30 EFEDRM N#CC1(NC(=S)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc2C1 ZINC001197146603 1294466532 /nfs/dbraw/zinc/46/65/32/1294466532.db2.gz HKIBQUNKFOMIDJ-UHFFFAOYSA-N -1 0 337.404 2.732 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)n2cc(N)c(N)n2)c1 ZINC001197364527 1294515081 /nfs/dbraw/zinc/51/50/81/1294515081.db2.gz BGGBVFDNGKLLTO-UHFFFAOYSA-N -1 0 344.415 2.985 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2cccc(OC)c2C#N)c1 ZINC001197382823 1294522311 /nfs/dbraw/zinc/52/23/11/1294522311.db2.gz PMOXVCWQIKSUCE-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c1 ZINC001197389749 1294525879 /nfs/dbraw/zinc/52/58/79/1294525879.db2.gz HPEHICMZJZIBEF-UHFFFAOYSA-N -1 0 334.372 2.956 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1C#N ZINC001197509313 1294573785 /nfs/dbraw/zinc/57/37/85/1294573785.db2.gz VWCYQTLJTJGTHK-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197567384 1294614474 /nfs/dbraw/zinc/61/44/74/1294614474.db2.gz WMNOSBBYNYRBLE-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717517 1294661428 /nfs/dbraw/zinc/66/14/28/1294661428.db2.gz FPSKIQJEPAAHKD-UHFFFAOYSA-N -1 0 342.207 2.707 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2ncccc2c1 ZINC000136568266 1294677515 /nfs/dbraw/zinc/67/75/15/1294677515.db2.gz LTKWGZRGGZWPGW-QGZVFWFLSA-N -1 0 329.359 2.874 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1C#N ZINC000137296521 1294748448 /nfs/dbraw/zinc/74/84/48/1294748448.db2.gz VNOGKJCZQKBUBH-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000137452767 1294786383 /nfs/dbraw/zinc/78/63/83/1294786383.db2.gz VJEURJCCBXDLJR-UHFFFAOYSA-N -1 0 343.404 2.754 20 30 EFEDRM C=C(C)[C@@H]1CC=C(C)[C@H](OC2=C([O-])C(C(=O)OC)N=C2C(=O)OC)C1 ZINC001234349332 1313110438 /nfs/dbraw/zinc/11/04/38/1313110438.db2.gz CJNUTKLPSIVBRK-VXGBXAGGSA-N -1 0 349.383 2.973 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1F ZINC001198152679 1294915679 /nfs/dbraw/zinc/91/56/79/1294915679.db2.gz CCNRGGZVGFXQGD-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cn1 ZINC001198197759 1294936679 /nfs/dbraw/zinc/93/66/79/1294936679.db2.gz KKFHPQZYDGKYFD-UHFFFAOYSA-N -1 0 336.804 2.732 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198237424 1294950465 /nfs/dbraw/zinc/95/04/65/1294950465.db2.gz BJJUKZQJUMOJJS-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM O=C([N-][C@@H](CO)c1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000886563001 1295021616 /nfs/dbraw/zinc/02/16/16/1295021616.db2.gz KQARWYPBUAQONW-QMMMGPOBSA-N -1 0 333.203 2.755 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC000886910523 1295207721 /nfs/dbraw/zinc/20/77/21/1295207721.db2.gz RXIXCKZDSSDBOG-TZMCWYRMSA-N -1 0 338.367 2.688 20 30 EFEDRM C[C@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[C@@H]1C(=O)[O-] ZINC000886911730 1295209782 /nfs/dbraw/zinc/20/97/82/1295209782.db2.gz AMADDFTZHKZETJ-WFASDCNBSA-N -1 0 338.367 2.688 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001198730341 1295209788 /nfs/dbraw/zinc/20/97/88/1295209788.db2.gz LPDXMEMYIOFTRV-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC001198705708 1295217139 /nfs/dbraw/zinc/21/71/39/1295217139.db2.gz HJHRTTYGXQNRHP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198778186 1295248995 /nfs/dbraw/zinc/24/89/95/1295248995.db2.gz BZUYFQPYANTUKV-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511649 1313141875 /nfs/dbraw/zinc/14/18/75/1313141875.db2.gz TUACBEFSZRSSRO-LBPRGKRZSA-N -1 0 341.367 2.872 20 30 EFEDRM CCC[C@@H](CC(=O)OCC)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511317 1313142174 /nfs/dbraw/zinc/14/21/74/1313142174.db2.gz NCTFXVUVXNQGHT-LBPRGKRZSA-N -1 0 329.356 2.708 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc[nH]c2C(C)C)n1 ZINC000803779826 1313143862 /nfs/dbraw/zinc/14/38/62/1313143862.db2.gz GJSZQGFWCSYXMM-LBPRGKRZSA-N -1 0 331.397 2.936 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c(C)c1 ZINC001198951221 1295383096 /nfs/dbraw/zinc/38/30/96/1295383096.db2.gz RMIWUWBYMGZASQ-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cccc(-n2cncc2C(=O)Nc2ccc(O)c(C#N)c2)c1 ZINC001199387582 1295491538 /nfs/dbraw/zinc/49/15/38/1295491538.db2.gz FBSLEESZJYNFLB-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])n(-c2cccnc2)n1 ZINC001199587472 1295630338 /nfs/dbraw/zinc/63/03/38/1295630338.db2.gz HLSGKIBBRIMICT-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000097465352 1295706522 /nfs/dbraw/zinc/70/65/22/1295706522.db2.gz WSNYTKGZLMXLEV-JTQLQIEISA-N -1 0 338.212 2.924 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC001199725343 1295707635 /nfs/dbraw/zinc/70/76/35/1295707635.db2.gz CBLJPEUGIPDPGS-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM O=C(CCc1nc(-c2ccc3c(c2)OCCC3=O)no1)C1=CC=C[CH]1 ZINC001204644699 1313176432 /nfs/dbraw/zinc/17/64/32/1313176432.db2.gz UNOPDDCWYDQZKM-UHFFFAOYSA-N -1 0 335.339 2.904 20 30 EFEDRM O=C(CCc1nc(-c2cccnc2OC(F)F)no1)C1=CC=C[CH]1 ZINC001204656970 1313178184 /nfs/dbraw/zinc/17/81/84/1313178184.db2.gz WPPVGNMPUYCKDZ-UHFFFAOYSA-N -1 0 332.286 2.935 20 30 EFEDRM C#C[C@@H](C)Oc1cc2c(cc1O)oc1cc(O)cc(OC)c1c2=O ZINC001234799796 1313193399 /nfs/dbraw/zinc/19/33/99/1313193399.db2.gz UYTXFOHYMIVSPU-SECBINFHSA-N -1 0 326.304 2.767 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2C=N[O-])[C@H](C#N)C1 ZINC001234821527 1313194431 /nfs/dbraw/zinc/19/44/31/1313194431.db2.gz GLVUAWIWXULCIT-HIFRSBDPSA-N -1 0 331.372 2.633 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000776067883 1296069899 /nfs/dbraw/zinc/06/98/99/1296069899.db2.gz XAFGUQHDFWKRSM-UHFFFAOYSA-N -1 0 345.848 2.908 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000776090524 1296264295 /nfs/dbraw/zinc/26/42/95/1296264295.db2.gz MGPIQFMQQDXVDK-HNNXBMFYSA-N -1 0 339.457 2.957 20 30 EFEDRM CC(C)c1ccc(SCC(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000776115172 1296462302 /nfs/dbraw/zinc/46/23/02/1296462302.db2.gz IQVHLOKGOSVZDN-UHFFFAOYSA-N -1 0 340.470 2.652 20 30 EFEDRM C/C(=C\c1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776139240 1296630001 /nfs/dbraw/zinc/63/00/01/1296630001.db2.gz WMZUQGOVPJEJRD-DHZHZOJOSA-N -1 0 340.832 2.739 20 30 EFEDRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142518 1296649614 /nfs/dbraw/zinc/64/96/14/1296649614.db2.gz MYWGHHCLVTZEIP-CYBMUJFWSA-N -1 0 336.457 2.738 20 30 EFEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143644 1296651628 /nfs/dbraw/zinc/65/16/28/1296651628.db2.gz ROZHFTCJOXNCTA-AWEZNQCLSA-N -1 0 328.478 2.979 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000776143605 1296651665 /nfs/dbraw/zinc/65/16/65/1296651665.db2.gz IPYFJNMYTMEQBW-MGPQQGTHSA-N -1 0 326.462 2.589 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccco2)s1 ZINC000776144563 1296651846 /nfs/dbraw/zinc/65/18/46/1296651846.db2.gz QOGPVTPHLRXYRP-UHFFFAOYSA-N -1 0 338.410 2.617 20 30 EFEDRM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776145069 1296652244 /nfs/dbraw/zinc/65/22/44/1296652244.db2.gz ZFUAMUNQRYZBJK-XFFZJAGNSA-N -1 0 340.832 2.739 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000776140751 1296664017 /nfs/dbraw/zinc/66/40/17/1296664017.db2.gz JMDWDPDCYOYQHL-UHFFFAOYSA-N -1 0 338.473 2.589 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3nsnc32)cc1C#N ZINC001201287258 1296678800 /nfs/dbraw/zinc/67/88/00/1296678800.db2.gz CHAJZAQJKMVKFC-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)cc1C#N ZINC001201295404 1296708877 /nfs/dbraw/zinc/70/88/77/1296708877.db2.gz QIWNIPJGKUDBLU-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)cc1C#N ZINC001201295457 1296709083 /nfs/dbraw/zinc/70/90/83/1296709083.db2.gz RKNBHIYKFYZVEX-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1C#N ZINC001201317684 1296724193 /nfs/dbraw/zinc/72/41/93/1296724193.db2.gz YZMFOKSDXYMRLD-UHFFFAOYSA-N -1 0 336.376 2.719 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(CO)c2)cc1C#N ZINC001201320446 1296725689 /nfs/dbraw/zinc/72/56/89/1296725689.db2.gz ZNXZUSGIGLWMPN-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1nn(C)c2ccc(NS(=O)(=O)c3ccc(C)c(C#N)c3)cc12 ZINC001201320177 1296726143 /nfs/dbraw/zinc/72/61/43/1296726143.db2.gz RBDNBAPGHUWNPV-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM COC(=O)c1ccccc1NN=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000776189745 1296830310 /nfs/dbraw/zinc/83/03/10/1296830310.db2.gz RHHGMRASWZPFOK-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM CCOC(=O)c1nonc1[N-]c1ccc(C(F)(F)F)cc1C#N ZINC001201691384 1297038353 /nfs/dbraw/zinc/03/83/53/1297038353.db2.gz JIMKWWPIIDSKQS-UHFFFAOYSA-N -1 0 326.234 2.880 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2sc(Cl)nc2C)cc1C#N ZINC001201756034 1297052789 /nfs/dbraw/zinc/05/27/89/1297052789.db2.gz KFWOXTYFZZEYIJ-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](OCc2ccc(C(=O)[O-])cc2)C1 ZINC001205681269 1313337039 /nfs/dbraw/zinc/33/70/39/1313337039.db2.gz UNIAJGOIIOPPIU-HUUCEWRRSA-N -1 0 346.383 2.660 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001201732730 1297072982 /nfs/dbraw/zinc/07/29/82/1297072982.db2.gz BAWRQZCGHXKBBH-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1oc(C)c(C)c1C#N ZINC001201732049 1297073519 /nfs/dbraw/zinc/07/35/19/1297073519.db2.gz QZZAESFGGUKDKP-UHFFFAOYSA-N -1 0 331.806 2.987 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC=C(F)C3)cc2[n-]c1=S ZINC000777770385 1297173525 /nfs/dbraw/zinc/17/35/25/1297173525.db2.gz KTGDFUMNXIJHNX-UHFFFAOYSA-N -1 0 345.399 2.571 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1-c1ccc(Cl)cc1 ZINC000778298336 1297607651 /nfs/dbraw/zinc/60/76/51/1297607651.db2.gz QNBNCIGNKODOLA-AWEZNQCLSA-N -1 0 344.802 2.681 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000042290011 1297697132 /nfs/dbraw/zinc/69/71/32/1297697132.db2.gz AEADNVYVZHMBJU-UHFFFAOYSA-N -1 0 334.397 2.668 20 30 EFEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000042303275 1297698996 /nfs/dbraw/zinc/69/89/96/1297698996.db2.gz VXZRRRZXUMCRCQ-CYBMUJFWSA-N -1 0 344.392 2.979 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000778622744 1297700765 /nfs/dbraw/zinc/70/07/65/1297700765.db2.gz JBDMYEZGXITRJI-UHFFFAOYSA-N -1 0 348.811 2.514 20 30 EFEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000778735872 1297710583 /nfs/dbraw/zinc/71/05/83/1297710583.db2.gz UWVLSPXCEFFVDL-MRXNPFEDSA-N -1 0 346.452 2.876 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1csc(C(=O)[O-])c1 ZINC001206265692 1313428232 /nfs/dbraw/zinc/42/82/32/1313428232.db2.gz NXVWWXDOOKVSGP-UHFFFAOYSA-N -1 0 338.348 2.909 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)n[nH]2)c(F)c1 ZINC000075040231 1297809355 /nfs/dbraw/zinc/80/93/55/1297809355.db2.gz CLRVHIFXOVHONV-UHFFFAOYSA-N -1 0 325.365 2.674 20 30 EFEDRM C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000776349245 1297928187 /nfs/dbraw/zinc/92/81/87/1297928187.db2.gz WGGSNTMOUKZAOB-NSHDSACASA-N -1 0 345.399 2.705 20 30 EFEDRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779313105 1298196288 /nfs/dbraw/zinc/19/62/88/1298196288.db2.gz JWRLAUAFYPDVED-CYBMUJFWSA-N -1 0 326.462 2.733 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000191275882 1298251325 /nfs/dbraw/zinc/25/13/25/1298251325.db2.gz CEHNBDHBAFAYCQ-UHFFFAOYSA-N -1 0 327.384 2.510 20 30 EFEDRM N#Cc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccn1 ZINC001206626936 1313486182 /nfs/dbraw/zinc/48/61/82/1313486182.db2.gz FXVAMBXEFHLTET-UHFFFAOYSA-N -1 0 341.326 2.600 20 30 EFEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)o1 ZINC000079149769 1298360490 /nfs/dbraw/zinc/36/04/90/1298360490.db2.gz KPZNKHRZDNFTIQ-UHFFFAOYSA-N -1 0 328.777 2.779 20 30 EFEDRM COc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000079148837 1298360895 /nfs/dbraw/zinc/36/08/95/1298360895.db2.gz KANBCPWLUJAVKM-ZDUSSCGKSA-N -1 0 340.445 2.876 20 30 EFEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000079168728 1298364059 /nfs/dbraw/zinc/36/40/59/1298364059.db2.gz OVKJOWUOAHZAKF-UHFFFAOYSA-N -1 0 325.411 2.770 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000193379689 1298432362 /nfs/dbraw/zinc/43/23/62/1298432362.db2.gz ROFIPFVJJNVGAX-CQSZACIVSA-N -1 0 342.374 2.845 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000108249964 1298494210 /nfs/dbraw/zinc/49/42/10/1298494210.db2.gz ADFJDDNSOMPEEB-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM CCOCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000083763084 1298698684 /nfs/dbraw/zinc/69/86/84/1298698684.db2.gz FJJAYLKWJGPFAA-UHFFFAOYSA-N -1 0 325.308 2.777 20 30 EFEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000083937615 1298720973 /nfs/dbraw/zinc/72/09/73/1298720973.db2.gz OIMYEHPWNLNFCM-UHFFFAOYSA-N -1 0 332.406 2.802 20 30 EFEDRM CC(C)(C(=O)[N-]OCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000108847568 1299049576 /nfs/dbraw/zinc/04/95/76/1299049576.db2.gz MJZMWKMWTCTMPL-UHFFFAOYSA-N -1 0 337.379 2.522 20 30 EFEDRM Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cn1 ZINC000086056619 1299256965 /nfs/dbraw/zinc/25/69/65/1299256965.db2.gz NSKNPRHRMNOSRP-UHFFFAOYSA-N -1 0 333.413 2.758 20 30 EFEDRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000086055491 1299257017 /nfs/dbraw/zinc/25/70/17/1299257017.db2.gz DDLVPWRRRNNIIQ-QWHCGFSZSA-N -1 0 344.477 2.500 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000109959174 1299353285 /nfs/dbraw/zinc/35/32/85/1299353285.db2.gz JGGRRTBTJFXSBC-UHFFFAOYSA-N -1 0 333.391 2.794 20 30 EFEDRM C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852759747 1299872467 /nfs/dbraw/zinc/87/24/67/1299872467.db2.gz UCNZOEWVUMJAAX-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)n1 ZINC000853108155 1300009616 /nfs/dbraw/zinc/00/96/16/1300009616.db2.gz CWAYCXFZZJYOGF-JOAKQRRISA-N -1 0 329.381 2.848 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853252256 1300069612 /nfs/dbraw/zinc/06/96/12/1300069612.db2.gz KPFSOXIPTGAWEX-UHFFFAOYSA-N -1 0 339.395 2.792 20 30 EFEDRM O=C1Nc2cc([O-])c(Cl)cc2C1=NNc1nccnc1C1CCC1 ZINC000853346371 1300091909 /nfs/dbraw/zinc/09/19/09/1300091909.db2.gz ZLTUSUUTFRBPFB-UHFFFAOYSA-N -1 0 343.774 2.871 20 30 EFEDRM CCOC(=O)NC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000853354720 1300093782 /nfs/dbraw/zinc/09/37/82/1300093782.db2.gz UIIRXRGZBIVJJP-UHFFFAOYSA-N -1 0 337.351 2.981 20 30 EFEDRM C[C@@H]1CCN(c2cccc(F)c2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853989088 1300378522 /nfs/dbraw/zinc/37/85/22/1300378522.db2.gz HLHCAYDXTRASSW-SKDRFNHKSA-N -1 0 329.297 2.591 20 30 EFEDRM CCOC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776721217 1300471340 /nfs/dbraw/zinc/47/13/40/1300471340.db2.gz CWOAUEUZWAWGBN-UDBBHLTHSA-N -1 0 349.387 2.976 20 30 EFEDRM CCOC(=O)N1CCC[C@H]([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776721092 1300472136 /nfs/dbraw/zinc/47/21/36/1300472136.db2.gz CWOAUEUZWAWGBN-RAPDUPMSSA-N -1 0 349.387 2.976 20 30 EFEDRM Cc1nc(C)c(C(C)N=Nc2ccc([N+](=O)[O-])cn2)cc1C(=O)[O-] ZINC000776723504 1300482247 /nfs/dbraw/zinc/48/22/47/1300482247.db2.gz ISSYCUACJLZPMF-UHFFFAOYSA-N -1 0 329.316 2.536 20 30 EFEDRM Cc1nc(C)c(C(C)N=Nc2ncccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000776726951 1300525444 /nfs/dbraw/zinc/52/54/44/1300525444.db2.gz WJSBVTTZCPFKNY-UHFFFAOYSA-N -1 0 329.316 2.536 20 30 EFEDRM O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1F ZINC000112224114 1300558742 /nfs/dbraw/zinc/55/87/42/1300558742.db2.gz OSGDWBNKFUQMFF-LEBHLANCSA-N -1 0 343.314 2.664 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)cc1 ZINC000088800651 1300632352 /nfs/dbraw/zinc/63/23/52/1300632352.db2.gz VBJFRBYJGRUYSJ-UHFFFAOYSA-N -1 0 341.335 2.861 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)c(F)cc1F ZINC000088818541 1300642521 /nfs/dbraw/zinc/64/25/21/1300642521.db2.gz QIBGUKGFXPQEMJ-JTQLQIEISA-N -1 0 333.356 2.878 20 30 EFEDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000245567468 1300661582 /nfs/dbraw/zinc/66/15/82/1300661582.db2.gz XPSKIWKTBKTCKW-SHTZXODSSA-N -1 0 334.441 2.826 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000776776336 1300774961 /nfs/dbraw/zinc/77/49/61/1300774961.db2.gz FJUBXMZMFZJCRV-UHFFFAOYSA-N -1 0 345.378 2.996 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000245906462 1300816457 /nfs/dbraw/zinc/81/64/57/1300816457.db2.gz BIYOSLWJBULUTP-IIMJZQEZSA-N -1 0 333.391 2.606 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000245932664 1300823719 /nfs/dbraw/zinc/82/37/19/1300823719.db2.gz QUXUYNNKBQAVPF-OWCLPIDISA-N -1 0 346.452 2.970 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795350547 1300831403 /nfs/dbraw/zinc/83/14/03/1300831403.db2.gz FZOJNRMSZJTMJI-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000795362235 1300848398 /nfs/dbraw/zinc/84/83/98/1300848398.db2.gz VRUPZVALVIDBSW-UHFFFAOYSA-N -1 0 336.804 2.758 20 30 EFEDRM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1F ZINC000795387789 1300930569 /nfs/dbraw/zinc/93/05/69/1300930569.db2.gz MCUAMKVYJJRLAT-VIFPVBQESA-N -1 0 338.335 2.691 20 30 EFEDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn([C@@H](C)CC)c1C1CC1 ZINC000089982610 1300963759 /nfs/dbraw/zinc/96/37/59/1300963759.db2.gz QBPYGIXXFVRNLU-NSHDSACASA-N -1 0 342.465 2.623 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OCc2cccnc2)c1 ZINC000113651642 1301107040 /nfs/dbraw/zinc/10/70/40/1301107040.db2.gz GIDVYGUCXKGOIQ-GOSISDBHSA-N -1 0 349.390 2.605 20 30 EFEDRM C=CCCO[N-]C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000856027500 1301209366 /nfs/dbraw/zinc/20/93/66/1301209366.db2.gz OQLWBNQOGKVUFJ-UHFFFAOYSA-N -1 0 330.384 2.877 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000856028425 1301210477 /nfs/dbraw/zinc/21/04/77/1301210477.db2.gz HQZNRYHAROOMKZ-UHFFFAOYSA-N -1 0 346.456 2.989 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000856031229 1301210515 /nfs/dbraw/zinc/21/05/15/1301210515.db2.gz IITOHWVJJDHXPF-MRXNPFEDSA-N -1 0 346.427 2.972 20 30 EFEDRM C=CCCO[N-]C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000856031579 1301211194 /nfs/dbraw/zinc/21/11/94/1301211194.db2.gz VOGZVWDNDSKBEB-UHFFFAOYSA-N -1 0 332.381 2.705 20 30 EFEDRM N#Cc1ccccc1OC1CN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238244594 1313790106 /nfs/dbraw/zinc/79/01/06/1313790106.db2.gz LHDJFDDIZVVRAK-UHFFFAOYSA-N -1 0 326.327 2.659 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1c(C)cc(C)c(Br)c1C ZINC000860631070 1301862607 /nfs/dbraw/zinc/86/26/07/1301862607.db2.gz NCTAVLAWFDCGLM-UHFFFAOYSA-N -1 0 346.246 2.620 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000860739067 1301901459 /nfs/dbraw/zinc/90/14/59/1301901459.db2.gz ORSRRJWFCKUJAM-UHFFFAOYSA-N -1 0 328.821 2.616 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000860773965 1301916785 /nfs/dbraw/zinc/91/67/85/1301916785.db2.gz SNFHXNYTSPAMQO-UHFFFAOYSA-N -1 0 331.796 2.576 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cccc(OCC)c2)CC1 ZINC000860773075 1301917648 /nfs/dbraw/zinc/91/76/48/1301917648.db2.gz FCIWUBSBIMICDF-CMDGGOBGSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860871185 1301950283 /nfs/dbraw/zinc/95/02/83/1301950283.db2.gz XTINRXINPUUJJF-OCCSQVGLSA-N -1 0 338.429 2.745 20 30 EFEDRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014896 1301990194 /nfs/dbraw/zinc/99/01/94/1301990194.db2.gz VQVWGLSKRKLTGU-NSHDSACASA-N -1 0 340.420 2.716 20 30 EFEDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014347 1301990515 /nfs/dbraw/zinc/99/05/15/1301990515.db2.gz IBJXYBWADTXBTF-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCC1 ZINC000861013692 1301990990 /nfs/dbraw/zinc/99/09/90/1301990990.db2.gz PSTDKHYSHMOERR-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)C ZINC000861014334 1301991184 /nfs/dbraw/zinc/99/11/84/1301991184.db2.gz HRICZRDENKNFLF-CQSZACIVSA-N -1 0 340.420 2.716 20 30 EFEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCC1 ZINC000119777458 1302754934 /nfs/dbraw/zinc/75/49/34/1302754934.db2.gz ISAQJTGFTPLOMX-UHFFFAOYSA-N -1 0 334.441 2.970 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794591427 1302790982 /nfs/dbraw/zinc/79/09/82/1302790982.db2.gz ZMXKFCAZTHMOQY-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794594483 1302808359 /nfs/dbraw/zinc/80/83/59/1302808359.db2.gz KDXJBGDAJOVCOV-UHFFFAOYSA-N -1 0 332.381 2.658 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794595616 1302829442 /nfs/dbraw/zinc/82/94/42/1302829442.db2.gz GNMBSZSCVVHHJE-UHFFFAOYSA-N -1 0 332.356 2.895 20 30 EFEDRM C=C(Cl)C[C@@H](NCc1nc2ccc(OC)cc2s1)C(=O)[O-] ZINC000864518700 1302957733 /nfs/dbraw/zinc/95/77/33/1302957733.db2.gz RKOZQASJCMGVSC-LLVKDONJSA-N -1 0 326.805 2.990 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794715120 1303038223 /nfs/dbraw/zinc/03/82/23/1303038223.db2.gz URIFQQWQMSUEGD-OFSNVTPPSA-N -1 0 344.319 2.814 20 30 EFEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccccc2-n2ccnn2)c1 ZINC000794733716 1303041659 /nfs/dbraw/zinc/04/16/59/1303041659.db2.gz ZJTWYVBVWDTSDO-WAYWQWQTSA-N -1 0 325.349 2.923 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cn(C3CC3)cn2)c1)C(=O)[O-] ZINC000865218902 1303192686 /nfs/dbraw/zinc/19/26/86/1303192686.db2.gz TYZOGRJTEFPJQB-ZCRIDZFUSA-N -1 0 326.352 2.966 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1 ZINC000748409951 1313911021 /nfs/dbraw/zinc/91/10/21/1313911021.db2.gz AGXKQTQDBOILGV-UHFFFAOYSA-N -1 0 345.358 2.726 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCn2c(=O)oc3ccccc32)c1 ZINC000748411103 1313911942 /nfs/dbraw/zinc/91/19/42/1313911942.db2.gz JQIUBQZTDPPMLE-UHFFFAOYSA-N -1 0 337.335 2.591 20 30 EFEDRM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410425 1313912510 /nfs/dbraw/zinc/91/25/10/1313912510.db2.gz KBVBXPCQCDMQCI-LBPRGKRZSA-N -1 0 339.351 2.517 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000794937921 1303705660 /nfs/dbraw/zinc/70/56/60/1303705660.db2.gz NDYWUYTWZRUQLG-FPLPWBNLSA-N -1 0 345.376 2.843 20 30 EFEDRM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794944664 1303735294 /nfs/dbraw/zinc/73/52/94/1303735294.db2.gz CXNYWMMUYNBZOR-RJRFIUFISA-N -1 0 340.291 2.527 20 30 EFEDRM COCCN(C)N=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000794966128 1303861611 /nfs/dbraw/zinc/86/16/11/1303861611.db2.gz KOYMQMJHIQAVPC-UHFFFAOYSA-N -1 0 346.383 2.777 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1F ZINC000121780772 1303922965 /nfs/dbraw/zinc/92/29/65/1303922965.db2.gz XDWHTFJPMNBACH-UHFFFAOYSA-N -1 0 349.387 2.573 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1-c1ccccc1 ZINC000121985832 1304091708 /nfs/dbraw/zinc/09/17/08/1304091708.db2.gz MELQTYREWYMZIX-OAHLLOKOSA-N -1 0 336.395 2.597 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2ncccc2F)cc1 ZINC000794993638 1304163769 /nfs/dbraw/zinc/16/37/69/1304163769.db2.gz NDXDVXSPNBLKRU-UHFFFAOYSA-N -1 0 325.246 2.723 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1F ZINC000122328834 1304521442 /nfs/dbraw/zinc/52/14/42/1304521442.db2.gz VSIZVQUMERXPKD-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000122365811 1304566374 /nfs/dbraw/zinc/56/63/74/1304566374.db2.gz VRIRMXGYWJMSOH-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000122496240 1304686445 /nfs/dbraw/zinc/68/64/45/1304686445.db2.gz SMRKWYOMVYXKBR-MRXNPFEDSA-N -1 0 346.346 2.813 20 30 EFEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000122502113 1304689776 /nfs/dbraw/zinc/68/97/76/1304689776.db2.gz RBSIHIQNRFLNFG-MRXNPFEDSA-N -1 0 337.379 2.970 20 30 EFEDRM COc1cccc([C@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122507523 1304692666 /nfs/dbraw/zinc/69/26/66/1304692666.db2.gz ISVULZIUNOQYEU-DOMZBBRYSA-N -1 0 325.368 2.514 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSCc1ccc(Cl)cc1 ZINC000122570096 1304770098 /nfs/dbraw/zinc/77/00/98/1304770098.db2.gz JYEIJIRLSFABQT-CYBMUJFWSA-N -1 0 347.827 2.898 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OC2CCCC2)c1 ZINC000122629161 1304822053 /nfs/dbraw/zinc/82/20/53/1304822053.db2.gz SNQXBHMLUIVHCZ-MRXNPFEDSA-N -1 0 337.379 2.947 20 30 EFEDRM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122632853 1304823803 /nfs/dbraw/zinc/82/38/03/1304823803.db2.gz BNRGDHHKFQJYLZ-WFASDCNBSA-N -1 0 325.368 2.803 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122695721 1304897572 /nfs/dbraw/zinc/89/75/72/1304897572.db2.gz FLTUFZRTZUGLHP-AAEUAGOBSA-N -1 0 345.786 2.741 20 30 EFEDRM Cc1ccc(C(C)C)c(OCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122833986 1305025914 /nfs/dbraw/zinc/02/59/14/1305025914.db2.gz ZHMJFQAANHZYMM-OAHLLOKOSA-N -1 0 339.395 2.823 20 30 EFEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122868465 1305062625 /nfs/dbraw/zinc/06/26/25/1305062625.db2.gz GYNNFSIWFBUCKF-RYUDHWBXSA-N -1 0 345.786 2.741 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C2CC2)n1 ZINC000870138753 1305163200 /nfs/dbraw/zinc/16/32/00/1305163200.db2.gz OBVCRGBYVQMESC-CQSZACIVSA-N -1 0 328.416 2.552 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000870138864 1305163266 /nfs/dbraw/zinc/16/32/66/1305163266.db2.gz OSIRHBCBJYWRHM-MRXNPFEDSA-N -1 0 342.395 2.553 20 30 EFEDRM Cc1cccc2c(CCC(=O)C(C#N)=C([O-])c3nccn3C)c[nH]c21 ZINC000123026574 1305224725 /nfs/dbraw/zinc/22/47/25/1305224725.db2.gz ZEFIYKYIZAWYIP-HNNXBMFYSA-N -1 0 334.379 2.734 20 30 EFEDRM CCCOc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123027230 1305226272 /nfs/dbraw/zinc/22/62/72/1305226272.db2.gz BUYRQQAPJLYPAW-MRXNPFEDSA-N -1 0 339.395 2.733 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1cccc2ccccc21 ZINC000870270662 1305233985 /nfs/dbraw/zinc/23/39/85/1305233985.db2.gz LPVXRNSXCOXCND-UHFFFAOYSA-N -1 0 344.436 2.768 20 30 EFEDRM CCCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000870272515 1305235383 /nfs/dbraw/zinc/23/53/83/1305235383.db2.gz BHUIBEBCECLVNC-UHFFFAOYSA-N -1 0 340.470 2.844 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cccc3ccccc32)CC1 ZINC000870280982 1305239648 /nfs/dbraw/zinc/23/96/48/1305239648.db2.gz BLNFKNXRWOMOLU-UHFFFAOYSA-N -1 0 342.420 2.522 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000123042461 1305251966 /nfs/dbraw/zinc/25/19/66/1305251966.db2.gz FBLSOYNXYRDTGQ-ZDUSSCGKSA-N -1 0 340.770 2.689 20 30 EFEDRM N#Cc1ccc(Oc2ccc(OS(=O)(=O)c3cnc[n-]3)cc2)cc1 ZINC000748656732 1314043871 /nfs/dbraw/zinc/04/38/71/1314043871.db2.gz KBQUAPOYDVFTMB-UHFFFAOYSA-N -1 0 341.348 2.841 20 30 EFEDRM C[C@H](CSc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123113251 1305300580 /nfs/dbraw/zinc/30/05/80/1305300580.db2.gz KIUDBKTYAFGCIG-BXUZGUMPSA-N -1 0 345.399 2.879 20 30 EFEDRM CC(C)COc1ccc(CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123138935 1305331211 /nfs/dbraw/zinc/33/12/11/1305331211.db2.gz VMUUHECDKDVYCQ-MRXNPFEDSA-N -1 0 339.395 2.589 20 30 EFEDRM C[C@H]1CCc2c(C([O-])=C(C#N)C(=O)c3nccn3C)csc2C1 ZINC000123272597 1305503573 /nfs/dbraw/zinc/50/35/73/1305503573.db2.gz AMCCIPJCVIZFKM-CMPLNLGQSA-N -1 0 327.409 2.812 20 30 EFEDRM COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2OC)cc1CC#N ZINC001240735797 1314064488 /nfs/dbraw/zinc/06/44/88/1314064488.db2.gz DVRADJGTLKJNAH-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1ccc(CC(=O)[O-])cc1 ZINC001240973241 1314088691 /nfs/dbraw/zinc/08/86/91/1314088691.db2.gz PYDFIXQLMGLQIE-UHFFFAOYSA-N -1 0 346.346 2.776 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000871269696 1305945240 /nfs/dbraw/zinc/94/52/40/1305945240.db2.gz POXOUWISIVFLDO-UHFFFAOYSA-N -1 0 346.202 2.639 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cccc(C(=O)[O-])c1 ZINC001241358346 1314113464 /nfs/dbraw/zinc/11/34/64/1314113464.db2.gz VRONYCAAIJWWMW-CYBMUJFWSA-N -1 0 339.351 2.791 20 30 EFEDRM N#CC1(c2ccc(-c3ccc(-c4nn[nH]n4)cc3)nc2)CCOCC1 ZINC001241442342 1314119557 /nfs/dbraw/zinc/11/95/57/1314119557.db2.gz GWXILDFSPKCZPK-UHFFFAOYSA-N -1 0 332.367 2.500 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c2ccccc2)cc1 ZINC000796604366 1306714352 /nfs/dbraw/zinc/71/43/52/1306714352.db2.gz JYYJJRLNHBRGIT-INIZCTEOSA-N -1 0 342.420 2.888 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241835848 1314155670 /nfs/dbraw/zinc/15/56/70/1314155670.db2.gz XFDXOJVWBDNSOD-UHFFFAOYSA-N -1 0 338.356 2.976 20 30 EFEDRM C#Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(C)on3)cn2)c1 ZINC001241917587 1314163043 /nfs/dbraw/zinc/16/30/43/1314163043.db2.gz SYPZULKUHXJODU-UHFFFAOYSA-N -1 0 339.376 2.827 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259464642 1316246699 /nfs/dbraw/zinc/24/66/99/1316246699.db2.gz VEELJCJKVNDKIM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(F)cc1[O-] ZINC001242217864 1314193193 /nfs/dbraw/zinc/19/31/93/1314193193.db2.gz MHJOPHHEHUQTNN-LBPRGKRZSA-N -1 0 337.310 2.922 20 30 EFEDRM O=C1C=C(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)CCC1 ZINC001260877025 1316375245 /nfs/dbraw/zinc/37/52/45/1316375245.db2.gz JKCZAFNSIQYUPV-UHFFFAOYSA-N -1 0 336.196 2.614 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSCc2cccs2)CC1 ZINC001261205130 1316396254 /nfs/dbraw/zinc/39/62/54/1316396254.db2.gz PSVXVAVMRRNMJV-UHFFFAOYSA-N -1 0 331.484 2.536 20 30 EFEDRM C=CCc1cc(CNCc2nc(C(=O)[O-])c(C)s2)cc(OC)c1O ZINC000900063990 1307629877 /nfs/dbraw/zinc/62/98/77/1307629877.db2.gz FJMYFPHBZKNNHJ-UHFFFAOYSA-N -1 0 348.424 2.882 20 30 EFEDRM CSCC(C)(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000800313308 1307690130 /nfs/dbraw/zinc/69/01/30/1307690130.db2.gz LDSTWFJYMFUYBW-SNVBAGLBSA-N -1 0 326.443 2.560 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC000900343394 1308015969 /nfs/dbraw/zinc/01/59/69/1308015969.db2.gz HIKCCFADWUSHOE-OAHLLOKOSA-N -1 0 332.400 2.908 20 30 EFEDRM Cc1[nH]c(C=NN2C(=S)N=NC2c2ccccc2C)cc1C(=O)[O-] ZINC000800808279 1308460283 /nfs/dbraw/zinc/46/02/83/1308460283.db2.gz PKQMPSVRYYGTCM-UHFFFAOYSA-N -1 0 341.396 2.759 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209902790 1314257545 /nfs/dbraw/zinc/25/75/45/1314257545.db2.gz QLTJYARSJZYGFO-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM CC(C)C1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c(Cl)s1 ZINC000901141875 1309593433 /nfs/dbraw/zinc/59/34/33/1309593433.db2.gz NGEMJDBPLJHZCW-UHFFFAOYSA-N -1 0 330.822 2.986 20 30 EFEDRM N#C[C@H]1CC=C(c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)CC1 ZINC001243798373 1314324175 /nfs/dbraw/zinc/32/41/75/1314324175.db2.gz NKBXUOYCHVBLEJ-ZDUSSCGKSA-N -1 0 340.408 2.984 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398280 1314326643 /nfs/dbraw/zinc/32/66/43/1314326643.db2.gz UJDPSTPNLLWQJV-UHFFFAOYSA-N -1 0 326.312 2.584 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C#N)ccc2C)cc1 ZINC001210502093 1314344208 /nfs/dbraw/zinc/34/42/08/1314344208.db2.gz GAEKCICNDATZKM-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM N#Cc1c[nH]c2nccc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)c12 ZINC001244036361 1314346167 /nfs/dbraw/zinc/34/61/67/1314346167.db2.gz MLQBPBYSFUQVRT-UHFFFAOYSA-N -1 0 334.335 2.856 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NOC[C@@H]2CCOC2)c1 ZINC000901226593 1309912738 /nfs/dbraw/zinc/91/27/38/1309912738.db2.gz CSVFHOLJOUBWLG-SECBINFHSA-N -1 0 328.162 2.534 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1CN=Nc1nccnc1C1CCC1 ZINC000901238585 1309944552 /nfs/dbraw/zinc/94/45/52/1309944552.db2.gz GBZOEEXHBKUSLH-UHFFFAOYSA-N -1 0 326.356 2.897 20 30 EFEDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(Cl)cc(C#N)c2)cc1 ZINC001210537919 1314349145 /nfs/dbraw/zinc/34/91/45/1314349145.db2.gz JLOXDFWKEJJNEN-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NNC[C@H]2CCSC2)c1 ZINC000901243429 1309956727 /nfs/dbraw/zinc/95/67/27/1309956727.db2.gz JLTRPDRSLXDWJW-SECBINFHSA-N -1 0 343.246 2.824 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NNC2CCSCC2)c1 ZINC000901275977 1310028585 /nfs/dbraw/zinc/02/85/85/1310028585.db2.gz GBZMYHWHHYXUSI-UHFFFAOYSA-N -1 0 343.246 2.966 20 30 EFEDRM C=C(C)COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801385966 1310060160 /nfs/dbraw/zinc/06/01/60/1310060160.db2.gz YFIXSJOCJYIKRT-UHFFFAOYSA-N -1 0 337.719 2.872 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(CCC(=O)[O-])cc1 ZINC001244189109 1314360973 /nfs/dbraw/zinc/36/09/73/1314360973.db2.gz XVICZLDYYOWWLP-RGVLZGJSSA-N -1 0 344.367 2.865 20 30 EFEDRM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000901304067 1310095155 /nfs/dbraw/zinc/09/51/55/1310095155.db2.gz RFRHAECRQRFWIE-LMWOUKEDSA-N -1 0 334.416 2.808 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000117740617 1314385569 /nfs/dbraw/zinc/38/55/69/1314385569.db2.gz WMMYBSRWBAZJHC-YRNVUSSQSA-N -1 0 336.804 2.863 20 30 EFEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1c(C(=O)[O-])cnn1C)CO2 ZINC000901463445 1310523046 /nfs/dbraw/zinc/52/30/46/1310523046.db2.gz YJAXBMVRTGIYPW-XFFZJAGNSA-N -1 0 342.351 2.566 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)nn1 ZINC000901523849 1310605460 /nfs/dbraw/zinc/60/54/60/1310605460.db2.gz IHDRHTPUAVBSHK-QDZRJHCZSA-N -1 0 329.356 2.607 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)nn1 ZINC000901523767 1310605861 /nfs/dbraw/zinc/60/58/61/1310605861.db2.gz HCDKSERUJRMKLC-VMPITWQZSA-N -1 0 329.356 2.609 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)nn1 ZINC000901525719 1310609218 /nfs/dbraw/zinc/60/92/18/1310609218.db2.gz QYCUXPCOOUMXCR-SREVYHEPSA-N -1 0 329.356 2.609 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2ccccc2OCCC(=O)[O-])nn1 ZINC000901529353 1310614806 /nfs/dbraw/zinc/61/48/06/1310614806.db2.gz KMIJTJZFBPBPHQ-FPLPWBNLSA-N -1 0 329.356 2.609 20 30 EFEDRM COc1cc(/C=C2/C(=O)c3nccn3[C@H]2C)ccc1OCCC(=O)[O-] ZINC000901564003 1310673010 /nfs/dbraw/zinc/67/30/10/1310673010.db2.gz DANNVDPLMKNBPZ-GJSJWPQCSA-N -1 0 342.351 2.586 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000901563777 1310673043 /nfs/dbraw/zinc/67/30/43/1310673043.db2.gz SGMWPGOBWBKVGT-FNORWQNLSA-N -1 0 326.352 2.822 20 30 EFEDRM C=CCOc1c(Cl)cc(C[N@H+](CC=C)CC(=O)[O-])cc1OC ZINC000901587246 1310706871 /nfs/dbraw/zinc/70/68/71/1310706871.db2.gz WDWGDUMBTAUQHQ-UHFFFAOYSA-N -1 0 325.792 2.986 20 30 EFEDRM COc1cc(C(F)(F)F)c(C#N)c(-c2cc(C(=O)[O-])cnc2F)n1 ZINC001244758613 1314409315 /nfs/dbraw/zinc/40/93/15/1314409315.db2.gz VKJURZIIMLKDOR-UHFFFAOYSA-N -1 0 341.220 2.880 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901767376 1311020249 /nfs/dbraw/zinc/02/02/49/1311020249.db2.gz MPFFULAWAVVIKB-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)cc2F)n1 ZINC000750428132 1311071628 /nfs/dbraw/zinc/07/16/28/1311071628.db2.gz YREGINADLWGCCX-GFCCVEGCSA-N -1 0 332.356 2.932 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc(C(C)C)cc1 ZINC001222111706 1311086749 /nfs/dbraw/zinc/08/67/49/1311086749.db2.gz DROUSMSVWIAOCX-INIZCTEOSA-N -1 0 328.430 2.786 20 30 EFEDRM CCOC(=O)c1cnc(-c2c(F)cc(C(=O)[O-])cc2F)c(C#N)c1 ZINC001222403019 1311125462 /nfs/dbraw/zinc/12/54/62/1311125462.db2.gz JBIYRHLUHBBTIA-UHFFFAOYSA-N -1 0 332.262 2.773 20 30 EFEDRM Cc1nc(N[C@H]2CN(C(=O)c3ccccc3O)C[C@@H]2C)ccc1C#N ZINC001067037781 1311136872 /nfs/dbraw/zinc/13/68/72/1311136872.db2.gz MOPMJZJVCLVLCF-LRDDRELGSA-N -1 0 336.395 2.540 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC000901869164 1311138450 /nfs/dbraw/zinc/13/84/50/1311138450.db2.gz ZCINDTPAMCPZNU-UHFFFAOYSA-N -1 0 333.413 2.585 20 30 EFEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1C ZINC000901877111 1311145501 /nfs/dbraw/zinc/14/55/01/1311145501.db2.gz KDSCFTMAHMNLPA-UHFFFAOYSA-N -1 0 348.428 2.648 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C2CCCC2)n1 ZINC000901887640 1311155811 /nfs/dbraw/zinc/15/58/11/1311155811.db2.gz SFPIFXQLKILMPP-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802037474 1311251991 /nfs/dbraw/zinc/25/19/91/1311251991.db2.gz ILXUAGQGUOJDGF-ZDUSSCGKSA-N -1 0 327.771 2.833 20 30 EFEDRM CC1=C(O/C(=N\[O-])c2ccccc2Br)C(=O)[C@@H](C)O1 ZINC001223884665 1311315004 /nfs/dbraw/zinc/31/50/04/1311315004.db2.gz OOMCXGXREYGHKH-YEHIPGFISA-N -1 0 326.146 2.821 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)C(=O)OCCC(C)C)c1 ZINC001223890980 1311316519 /nfs/dbraw/zinc/31/65/19/1311316519.db2.gz AUTJDCOXJJYFKC-MHMQGTJDSA-N -1 0 339.388 2.834 20 30 EFEDRM COC(=O)[C@@H]1CCC[C@@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891369 1311316545 /nfs/dbraw/zinc/31/65/45/1311316545.db2.gz IOWPMZRSVVBTHO-ZTUJZTNKSA-N -1 0 337.372 2.588 20 30 EFEDRM CCOC(=O)[C@H]1CCC[C@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892948 1311317199 /nfs/dbraw/zinc/31/71/99/1311317199.db2.gz NZZBTHVZFFTHQY-MNRRHTEJSA-N -1 0 337.372 2.588 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])O[C@@H](C)c1ccc(Cl)cc1 ZINC001223961831 1311325854 /nfs/dbraw/zinc/32/58/54/1311325854.db2.gz CKVFYBKWRBFFDL-SMDDNHRTSA-N -1 0 334.821 2.877 20 30 EFEDRM O=C([O-])CC[C@@H](O)C(=O)O/C(=N\c1ccccc1)c1ccccc1 ZINC001224088000 1311340712 /nfs/dbraw/zinc/34/07/12/1311340712.db2.gz SHNLMWGHZVKHGO-KIJUOZEOSA-N -1 0 327.336 2.534 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000780378113 1311365058 /nfs/dbraw/zinc/36/50/58/1311365058.db2.gz SNHFLSXEUKHGFK-UHFFFAOYSA-N -1 0 337.441 2.701 20 30 EFEDRM O=S(=O)([O-])CCO[C@@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224571692 1311409225 /nfs/dbraw/zinc/40/92/25/1311409225.db2.gz OIQMEXMYIVIOLZ-GOSISDBHSA-N -1 0 328.389 2.588 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cccc(Cl)n1 ZINC001158967578 1311426397 /nfs/dbraw/zinc/42/63/97/1311426397.db2.gz XIVXYLNCCIYMGB-UHFFFAOYSA-N -1 0 327.678 2.579 20 30 EFEDRM N#C[C@H](OCCc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1F ZINC001224903390 1311448773 /nfs/dbraw/zinc/44/87/73/1311448773.db2.gz PVXDKFYCMLKJLK-INIZCTEOSA-N -1 0 335.356 2.896 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1coc(C2CC2)n1 ZINC000802212782 1311465168 /nfs/dbraw/zinc/46/51/68/1311465168.db2.gz CYAFXYOYEIULEX-CYBMUJFWSA-N -1 0 343.770 2.844 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1OCCCC[P@@](=O)([O-])O ZINC001225023530 1311465467 /nfs/dbraw/zinc/46/54/67/1311465467.db2.gz XHSWYKHSZOFMIB-ZDUSSCGKSA-N -1 0 349.364 2.527 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225492386 1311531912 /nfs/dbraw/zinc/53/19/12/1311531912.db2.gz WKZUSXCDSWJGBZ-INIZCTEOSA-N -1 0 339.351 2.825 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(Cl)cc(=O)[n-]1 ZINC001225561214 1311543776 /nfs/dbraw/zinc/54/37/76/1311543776.db2.gz ZURFJDSRAPNIEC-JTQLQIEISA-N -1 0 341.795 2.780 20 30 EFEDRM C=CCOc1ccccc1C[NH2+]Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000902249180 1311575826 /nfs/dbraw/zinc/57/58/26/1311575826.db2.gz JJDWBNZYKVWRRB-UHFFFAOYSA-N -1 0 343.427 2.829 20 30 EFEDRM CCOC(=O)[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(F)(F)F ZINC001225886375 1311586826 /nfs/dbraw/zinc/58/68/26/1311586826.db2.gz XXBBRYRCHGVXON-VIFPVBQESA-N -1 0 336.159 2.821 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2Oc1[n-]c(=O)c(F)cc1C#N ZINC001226016932 1311601246 /nfs/dbraw/zinc/60/12/46/1311601246.db2.gz WMTYEMNCTJQJMQ-OASPWFOLSA-N -1 0 349.362 2.575 20 30 EFEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cc(Br)no1 ZINC001226015622 1311601531 /nfs/dbraw/zinc/60/15/31/1311601531.db2.gz LQLPXQUIZQTPSC-RXMQYKEDSA-N -1 0 328.097 2.688 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001226016988 1311601628 /nfs/dbraw/zinc/60/16/28/1311601628.db2.gz WZXSSBLNOVTFEW-CYBMUJFWSA-N -1 0 327.315 2.760 20 30 EFEDRM C[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)OC(C)(C)C ZINC001226066565 1311608298 /nfs/dbraw/zinc/60/82/98/1311608298.db2.gz BUYAPRIACBPYQU-SSDOTTSWSA-N -1 0 332.278 2.787 20 30 EFEDRM CCC1=C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C(=O)[C@@H](C)O1 ZINC001226064793 1311608322 /nfs/dbraw/zinc/60/83/22/1311608322.db2.gz QCTGSKMCXMHUOI-ZCFIWIBFSA-N -1 0 328.246 2.666 20 30 EFEDRM N#Cc1c(O[C@@H]2CCCC3(C2)OCCO3)[n-]c(=O)cc1C(F)(F)F ZINC001226067762 1311608839 /nfs/dbraw/zinc/60/88/39/1311608839.db2.gz KHWAEOBGITVTAM-SECBINFHSA-N -1 0 344.289 2.742 20 30 EFEDRM COC(=O)[C@H]1CCC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226068081 1311608919 /nfs/dbraw/zinc/60/89/19/1311608919.db2.gz MEGMTSBIZILIOU-IUCAKERBSA-N -1 0 344.289 2.788 20 30 EFEDRM COC(=O)[C@H]1CCC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226068079 1311608957 /nfs/dbraw/zinc/60/89/57/1311608957.db2.gz MEGMTSBIZILIOU-DTWKUNHWSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(OC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226221029 1311632470 /nfs/dbraw/zinc/63/24/70/1311632470.db2.gz GNPKQBMVMYGDQW-UHFFFAOYSA-N -1 0 345.399 2.746 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H](C(=O)c2ccccn2)c2ccccn2)c1C#N ZINC001226221135 1311632852 /nfs/dbraw/zinc/63/28/52/1311632852.db2.gz HFDDBFXQTUDFAP-SFHVURJKSA-N -1 0 346.346 2.760 20 30 EFEDRM C#CC(C#C)Oc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC001226499607 1311676921 /nfs/dbraw/zinc/67/69/21/1311676921.db2.gz ZNGVFZCBUDTCOP-QGZVFWFLSA-N -1 0 334.327 2.818 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000802466740 1311680586 /nfs/dbraw/zinc/68/05/86/1311680586.db2.gz HCWRXHGCXDKHNL-NSHDSACASA-N -1 0 337.236 2.821 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)ccc2ccccc21 ZINC001226817604 1311727896 /nfs/dbraw/zinc/72/78/96/1311727896.db2.gz YWWNJBNCTHGLCO-OAHLLOKOSA-N -1 0 336.409 2.986 20 30 EFEDRM C#C[C@H](C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227029384 1311754471 /nfs/dbraw/zinc/75/44/71/1311754471.db2.gz IWDVGTNSRSOJEH-JTQLQIEISA-N -1 0 338.315 2.977 20 30 EFEDRM C=CC[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1Br)C(C)C ZINC001227333464 1311794515 /nfs/dbraw/zinc/79/45/15/1311794515.db2.gz YZANPHWUNCZNOU-QMMMGPOBSA-N -1 0 345.193 2.711 20 30 EFEDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)CS)c1[O-] ZINC001227494687 1311812369 /nfs/dbraw/zinc/81/23/69/1311812369.db2.gz GFANBXDANCGUSN-SSDOTTSWSA-N -1 0 334.415 2.504 20 30 EFEDRM C=CC(C=C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495427 1311812449 /nfs/dbraw/zinc/81/24/49/1311812449.db2.gz QQRVZLZXKOQNES-UHFFFAOYSA-N -1 0 326.370 2.927 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)nc2ncsc21 ZINC001227612280 1311829878 /nfs/dbraw/zinc/82/98/78/1311829878.db2.gz WMFKBXSLINZXOR-JTQLQIEISA-N -1 0 347.783 2.905 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)nc2ncsc21 ZINC001227612281 1311830439 /nfs/dbraw/zinc/83/04/39/1311830439.db2.gz WMFKBXSLINZXOR-SNVBAGLBSA-N -1 0 347.783 2.905 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)ccc1C(C)C ZINC001227944470 1311877203 /nfs/dbraw/zinc/87/72/03/1311877203.db2.gz ZVPJMTMBHXFLTR-CQSZACIVSA-N -1 0 328.430 2.956 20 30 EFEDRM COC(=O)c1nnc(O[C@@H]2Cc3ccccc3C#Cc3ccccc32)[n-]1 ZINC001228311178 1311928857 /nfs/dbraw/zinc/92/88/57/1311928857.db2.gz JZONQFXMIBOFOY-QGZVFWFLSA-N -1 0 345.358 2.667 20 30 EFEDRM COC(=O)c1nnc(O[C@@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001228314968 1311929367 /nfs/dbraw/zinc/92/93/67/1311929367.db2.gz VVGGBGYIOQNSCQ-INIZCTEOSA-N -1 0 333.347 2.763 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(SC)cc1C ZINC001228469233 1311952250 /nfs/dbraw/zinc/95/22/50/1311952250.db2.gz YKRGRTMFMCWBRC-GFCCVEGCSA-N -1 0 332.443 2.555 20 30 EFEDRM C#C[C@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228518576 1311959893 /nfs/dbraw/zinc/95/98/93/1311959893.db2.gz JHPXZGMLZWTKKG-CYBMUJFWSA-N -1 0 342.347 2.921 20 30 EFEDRM C#C[C@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520026 1311960416 /nfs/dbraw/zinc/96/04/16/1311960416.db2.gz UDZOXRGDJDWVQI-GFCCVEGCSA-N -1 0 328.320 2.531 20 30 EFEDRM CC#C[C@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228523249 1311960573 /nfs/dbraw/zinc/96/05/73/1311960573.db2.gz SUCROKHPWRJICD-ZDUSSCGKSA-N -1 0 342.347 2.921 20 30 EFEDRM N#C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228609770 1311969586 /nfs/dbraw/zinc/96/95/86/1311969586.db2.gz IHIACJDIDSUTDT-LLVKDONJSA-N -1 0 330.275 2.751 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)C#C[Si](C)(C)C)cc1[O-] ZINC001228813419 1312003980 /nfs/dbraw/zinc/00/39/80/1312003980.db2.gz CHNTXQSILZDZMI-SNVBAGLBSA-N -1 0 337.404 2.735 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C#N)c2ccccc2F)cc1[O-] ZINC001228813830 1312004279 /nfs/dbraw/zinc/00/42/79/1312004279.db2.gz GHQJUGLTBZVPHS-OAHLLOKOSA-N -1 0 346.270 2.870 20 30 EFEDRM C[C@H]1CC[C@@H](Oc2[n-]c(=O)ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228902085 1312017579 /nfs/dbraw/zinc/01/75/79/1312017579.db2.gz PQTLTZPXCODJEH-WCQYABFASA-N -1 0 333.388 2.826 20 30 EFEDRM CCOC(=O)C(F)(F)[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228905933 1312018327 /nfs/dbraw/zinc/01/83/27/1312018327.db2.gz RJIMEQAFYAIBRS-CQSZACIVSA-N -1 0 348.305 2.977 20 30 EFEDRM C#C[C@@H](CCCCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228947469 1312025185 /nfs/dbraw/zinc/02/51/85/1312025185.db2.gz YJKNTMPYBDSTPZ-VIFPVBQESA-N -1 0 346.168 2.748 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969815 1312028719 /nfs/dbraw/zinc/02/87/19/1312028719.db2.gz CYJRUPFBHHWPEO-SNVBAGLBSA-N -1 0 325.317 2.671 20 30 EFEDRM CCC[C@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378761 1312085904 /nfs/dbraw/zinc/08/59/04/1312085904.db2.gz MTNCHCMHAYBPGN-CQSZACIVSA-N -1 0 327.340 2.998 20 30 EFEDRM C#C[C@H](C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229697848 1312124712 /nfs/dbraw/zinc/12/47/12/1312124712.db2.gz DPHGZOIYWVHMPZ-JTQLQIEISA-N -1 0 338.315 2.977 20 30 EFEDRM C#C[C@@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(=O)OCC ZINC001229798546 1312142237 /nfs/dbraw/zinc/14/22/37/1312142237.db2.gz YODIKJSNSBZJKT-MRXNPFEDSA-N -1 0 338.315 2.596 20 30 EFEDRM N#CCN1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229798607 1312142432 /nfs/dbraw/zinc/14/24/32/1312142432.db2.gz ZGWSZXSVAZNHMO-CQSZACIVSA-N -1 0 336.347 2.628 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(C)C)cc1C ZINC001230212693 1312205615 /nfs/dbraw/zinc/20/56/15/1312205615.db2.gz ZDWODLXHULBVIL-HNNXBMFYSA-N -1 0 328.430 2.956 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nc(Cl)nc(C)c1C#N ZINC001163110473 1312243278 /nfs/dbraw/zinc/24/32/78/1312243278.db2.gz CDJVCNLYVMGUEY-UHFFFAOYSA-N -1 0 340.774 2.675 20 30 EFEDRM CCc1nc(C#N)c(C#N)nc1Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001163116803 1312243978 /nfs/dbraw/zinc/24/39/78/1312243978.db2.gz VIORKTJFHDPUIZ-UHFFFAOYSA-N -1 0 345.366 2.726 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000903011836 1312282514 /nfs/dbraw/zinc/28/25/14/1312282514.db2.gz KFAFBYYCRYMVHT-OAHLLOKOSA-N -1 0 325.430 2.868 20 30 EFEDRM CCCc1ccccc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000903129671 1312385543 /nfs/dbraw/zinc/38/55/43/1312385543.db2.gz GIZAUYRZAINWIU-UHFFFAOYSA-N -1 0 348.453 2.614 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)cc1C ZINC000903141119 1312400846 /nfs/dbraw/zinc/40/08/46/1312400846.db2.gz LYUZFSUKPHVHLT-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)cc1 ZINC000903140947 1312401007 /nfs/dbraw/zinc/40/10/07/1312401007.db2.gz JPMUAHBERHXMEY-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)c(C)c1 ZINC000903141462 1312401563 /nfs/dbraw/zinc/40/15/63/1312401563.db2.gz SVUAKGAESANMTP-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CC[C@@H](C#CC(=O)OC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1 ZINC001231050330 1312418852 /nfs/dbraw/zinc/41/88/52/1312418852.db2.gz RYJOHHWFMSDJDN-ZETCQYMHSA-N -1 0 328.155 2.599 20 30 EFEDRM CC(=O)[C@H](C)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231227429 1312457437 /nfs/dbraw/zinc/45/74/37/1312457437.db2.gz FTEDHJKGXXONDH-VIFPVBQESA-N -1 0 325.280 2.553 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O[C@H]2CCCOC2)c1C#N ZINC001231229062 1312458098 /nfs/dbraw/zinc/45/80/98/1312458098.db2.gz YHZZIARSEHJJTQ-JTQLQIEISA-N -1 0 339.307 2.755 20 30 EFEDRM CN(C)C(=O)c1cccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1[O-] ZINC001211333513 1314477994 /nfs/dbraw/zinc/47/79/94/1314477994.db2.gz FIRIRPFSCJPDQX-UHFFFAOYSA-N -1 0 326.312 2.617 20 30 EFEDRM N#Cc1cn(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c2cc(N)ccc12 ZINC001213194818 1314520124 /nfs/dbraw/zinc/52/01/24/1314520124.db2.gz VSAVTZSTYWFUMX-UHFFFAOYSA-N -1 0 348.362 2.888 20 30 EFEDRM N#Cc1cc(O)ccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194395 1314520289 /nfs/dbraw/zinc/52/02/89/1314520289.db2.gz LNEWOAOSIILAQW-UHFFFAOYSA-N -1 0 325.324 2.811 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1c([O-])cccc1F ZINC001245655816 1314521018 /nfs/dbraw/zinc/52/10/18/1314521018.db2.gz VBHKRBROYLWNJT-SNVBAGLBSA-N -1 0 329.331 2.937 20 30 EFEDRM N#Cc1ccc(-n2[n-]c(-c3cnccn3)cc2=O)cc1Br ZINC001245931510 1314551309 /nfs/dbraw/zinc/55/13/09/1314551309.db2.gz CRLGSFIYBBRXIQ-UHFFFAOYSA-N -1 0 342.156 2.669 20 30 EFEDRM N#Cc1cccc(-c2cc(=O)n(-c3nccc(C(F)(F)F)n3)[n-]2)c1 ZINC001245937599 1314552084 /nfs/dbraw/zinc/55/20/84/1314552084.db2.gz PFBZPGNWLCHYKB-UHFFFAOYSA-N -1 0 331.257 2.925 20 30 EFEDRM COc1ccc(F)cc1-c1cc(=O)n(C(=O)c2ccc(C#N)cc2)[n-]1 ZINC001245954422 1314555581 /nfs/dbraw/zinc/55/55/81/1314555581.db2.gz YWEOCGWPYCSMSE-UHFFFAOYSA-N -1 0 337.310 2.964 20 30 EFEDRM C[C@H](Cc1cccc(Cl)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119057014 1314571349 /nfs/dbraw/zinc/57/13/49/1314571349.db2.gz VVBJTUBXPKZYKR-BXUZGUMPSA-N -1 0 329.787 2.844 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213620844 1314582026 /nfs/dbraw/zinc/58/20/26/1314582026.db2.gz BHNBLQYKZNMUAZ-UHFFFAOYSA-N -1 0 346.184 2.981 20 30 EFEDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C#N)cc2Cl)cc1 ZINC001213996025 1314633070 /nfs/dbraw/zinc/63/30/70/1314633070.db2.gz WLHIHBHMBLRYSY-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#Cc1cnccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001214015145 1314635503 /nfs/dbraw/zinc/63/55/03/1314635503.db2.gz DHESRPNXVPARGE-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000178221346 1314643722 /nfs/dbraw/zinc/64/37/22/1314643722.db2.gz VDUCHEUCLHTXBQ-LLVKDONJSA-N -1 0 346.726 2.681 20 30 EFEDRM CCOc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1-c1ccccn1 ZINC001214268592 1314669566 /nfs/dbraw/zinc/66/95/66/1314669566.db2.gz LCMVBWMCFCEEMW-UHFFFAOYSA-N -1 0 349.350 2.979 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1OCC ZINC000119704209 1314690283 /nfs/dbraw/zinc/69/02/83/1314690283.db2.gz SRVOTTTZJHDPIJ-OAHLLOKOSA-N -1 0 344.411 2.865 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000119702414 1314690314 /nfs/dbraw/zinc/69/03/14/1314690314.db2.gz AFCBFFNZSLSOIS-CYBMUJFWSA-N -1 0 340.301 2.966 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Br)c1 ZINC000119821850 1314714353 /nfs/dbraw/zinc/71/43/53/1314714353.db2.gz JPNFALJHBXFGGM-ZDUSSCGKSA-N -1 0 335.201 2.830 20 30 EFEDRM CC1=NN(c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)CC1 ZINC000119911702 1314735016 /nfs/dbraw/zinc/73/50/16/1314735016.db2.gz VBWNILWMXZFXQR-QGZVFWFLSA-N -1 0 338.411 2.654 20 30 EFEDRM N#Cc1cnc(Nc2cnc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001215101807 1314781841 /nfs/dbraw/zinc/78/18/41/1314781841.db2.gz NFEFYQJJYQFVQD-UHFFFAOYSA-N -1 0 337.108 2.692 20 30 EFEDRM CN1CCc2c(C#N)c(Nc3cc(C(=O)[O-])cnc3F)sc2C1 ZINC001215120311 1314784227 /nfs/dbraw/zinc/78/42/27/1314784227.db2.gz WVLGJTDZQACSRV-UHFFFAOYSA-N -1 0 332.360 2.584 20 30 EFEDRM N#Cc1ncc(Nc2cc(C(=O)[O-])cnc2F)cc1C(F)(F)F ZINC001215124482 1314785261 /nfs/dbraw/zinc/78/52/61/1314785261.db2.gz UFORSXSFACSJOC-UHFFFAOYSA-N -1 0 326.209 2.948 20 30 EFEDRM N#Cc1cnc2ccnn2c1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695531 1314868878 /nfs/dbraw/zinc/86/88/78/1314868878.db2.gz QTAQWLNORASXJA-UHFFFAOYSA-N -1 0 331.694 2.835 20 30 EFEDRM Cc1c(C#N)cccc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001216177918 1314922397 /nfs/dbraw/zinc/92/23/97/1314922397.db2.gz NBBIYRJZYJKNOW-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM Cc1cc(Nc2c(C#N)cnn2-c2ncccn2)cc(C)c1C(=O)[O-] ZINC001216310413 1314939384 /nfs/dbraw/zinc/93/93/84/1314939384.db2.gz WOKGIQPAMUWGBV-UHFFFAOYSA-N -1 0 334.339 2.593 20 30 EFEDRM Cc1cc(Nc2nc(C#N)c(C#N)nc2Cl)cc(C)c1C(=O)[O-] ZINC001216309252 1314939408 /nfs/dbraw/zinc/93/94/08/1314939408.db2.gz PJAGURQYLWJSCZ-UHFFFAOYSA-N -1 0 327.731 2.932 20 30 EFEDRM N#Cc1cc(-c2nc(-c3cccc(N4CCOCC4)c3)no2)ccc1[O-] ZINC001216969590 1315027394 /nfs/dbraw/zinc/02/73/94/1315027394.db2.gz HPRLCCVDFJZXAY-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c([O-])c1 ZINC001217039170 1315032379 /nfs/dbraw/zinc/03/23/79/1315032379.db2.gz OGRNAMBOZCWWIJ-UHFFFAOYSA-N -1 0 330.307 2.562 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)nc1 ZINC001217163667 1315041032 /nfs/dbraw/zinc/04/10/32/1315041032.db2.gz IMBBCTBWGQXGHE-UHFFFAOYSA-N -1 0 333.282 2.651 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3cc(=O)c4cc(F)ccc4[n-]3)n2)nc1 ZINC001217442602 1315073514 /nfs/dbraw/zinc/07/35/14/1315073514.db2.gz IFXCZUGYISHEGL-UHFFFAOYSA-N -1 0 333.282 2.651 20 30 EFEDRM Cc1ccnc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502205 1315078975 /nfs/dbraw/zinc/07/89/75/1315078975.db2.gz GHZVUBDVQKPXFL-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1cncc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502770 1315079218 /nfs/dbraw/zinc/07/92/18/1315079218.db2.gz TUBIAIOFDHXKAT-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1ccncc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502521 1315079257 /nfs/dbraw/zinc/07/92/57/1315079257.db2.gz MQPWDXZVEUAQIB-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1cncc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502032 1315079391 /nfs/dbraw/zinc/07/93/91/1315079391.db2.gz CEMPQANXXLQBEB-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1ccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)nc1 ZINC001217502215 1315079604 /nfs/dbraw/zinc/07/96/04/1315079604.db2.gz GQJSFBZQURIVBP-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1nc(Cl)c(/C=C/C(=O)c2csc(C(=O)[O-])c2)n1C ZINC001318371976 1328565709 /nfs/dbraw/zinc/56/57/09/1328565709.db2.gz HCGDVLAQNBMUFU-ONEGZZNKSA-N -1 0 326.761 2.738 20 30 EFEDRM CCOC(=O)[C@H](CS)NC(=S)[N-]c1ccccc1SC ZINC001249708780 1315125506 /nfs/dbraw/zinc/12/55/06/1315125506.db2.gz QQYGZEVQQSTWHO-JTQLQIEISA-N -1 0 330.500 2.556 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1cc(Cl)c(O)cc1F ZINC001250020158 1315167469 /nfs/dbraw/zinc/16/74/69/1315167469.db2.gz MYFGYSMRUXOMQR-UHFFFAOYSA-N -1 0 330.710 2.776 20 30 EFEDRM N#Cc1cccc(C(=O)Cc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001250288259 1315193377 /nfs/dbraw/zinc/19/33/77/1315193377.db2.gz XPCQOGZCKXRDHY-UHFFFAOYSA-N -1 0 336.347 2.787 20 30 EFEDRM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1oncc1C#N ZINC001250640407 1315235540 /nfs/dbraw/zinc/23/55/40/1315235540.db2.gz URQGQLQERLNIII-UHFFFAOYSA-N -1 0 342.380 2.566 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)c(O)c1 ZINC001218988705 1315268898 /nfs/dbraw/zinc/26/88/98/1315268898.db2.gz KSUSTBNTKKASFS-CYBMUJFWSA-N -1 0 349.312 2.791 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cccc3cccnc32)cc1Cl ZINC001250969321 1315303443 /nfs/dbraw/zinc/30/34/43/1315303443.db2.gz FQNHHLJCUNCWSE-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(O)c1 ZINC001251005521 1315309424 /nfs/dbraw/zinc/30/94/24/1315309424.db2.gz ILXSPKWSTWEHFC-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001251005537 1315309633 /nfs/dbraw/zinc/30/96/33/1315309633.db2.gz JCMUOLPVYSARIC-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC001251012616 1315310002 /nfs/dbraw/zinc/31/00/02/1315310002.db2.gz MMGIJVOTMLLYDW-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001251704382 1315368122 /nfs/dbraw/zinc/36/81/22/1315368122.db2.gz FJJKPSXRLZVRGC-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1 ZINC001251887099 1315384850 /nfs/dbraw/zinc/38/48/50/1315384850.db2.gz KLDOREJMCLIJDS-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1 ZINC001251928889 1315388916 /nfs/dbraw/zinc/38/89/16/1315388916.db2.gz HTGOUYYXWHLXIC-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1F)C(F)(F)F ZINC001252368553 1315440475 /nfs/dbraw/zinc/44/04/75/1315440475.db2.gz WIOIXLYLNPXQNG-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccc1N1CCCCC1 ZINC001252355000 1315438108 /nfs/dbraw/zinc/43/81/08/1315438108.db2.gz GYZOAEPHSHCDHD-UHFFFAOYSA-N -1 0 333.335 2.810 20 30 EFEDRM O=S(=O)([N-]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001252368193 1315440101 /nfs/dbraw/zinc/44/01/01/1315440101.db2.gz QNMHAAIAPMIHSV-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM C=CCOC[C@H](O)CNc1cc(Br)cc(Cl)c1O ZINC001252483868 1315456413 /nfs/dbraw/zinc/45/64/13/1315456413.db2.gz TWTOMLPURXCHIG-SECBINFHSA-N -1 0 336.613 2.784 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000316336950 1315460106 /nfs/dbraw/zinc/46/01/06/1315460106.db2.gz IILGNXSZYSUPIA-LLVKDONJSA-N -1 0 338.212 2.691 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000316689147 1315470420 /nfs/dbraw/zinc/47/04/20/1315470420.db2.gz UPZOIHQNYPXSHL-GFCCVEGCSA-N -1 0 330.306 2.924 20 30 EFEDRM CN1CCc2c(C#N)c([N-]S(=O)(=O)Cc3ccccc3)sc2C1 ZINC001252810912 1315509938 /nfs/dbraw/zinc/50/99/38/1315509938.db2.gz LNMLDLFRTOWZSF-UHFFFAOYSA-N -1 0 347.465 2.550 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001252958387 1315542307 /nfs/dbraw/zinc/54/23/07/1315542307.db2.gz RUDTUENVBYHNKX-CSKARUKUSA-N -1 0 336.376 2.914 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)CC(F)(F)F)ccc1N1CCCCC1 ZINC001253188848 1315578318 /nfs/dbraw/zinc/57/83/18/1315578318.db2.gz JZRYNWPPFCXLDE-UHFFFAOYSA-N -1 0 347.362 2.853 20 30 EFEDRM CC(C)CCc1cn(Cc2cccc(C(=O)CC(=O)C(=O)[O-])c2)nn1 ZINC001254083634 1315671738 /nfs/dbraw/zinc/67/17/38/1315671738.db2.gz LMLMNXUPKAUNGS-MFOYZWKCSA-N -1 0 343.383 2.624 20 30 EFEDRM C#CCN(CC#C)Cc1cn(CCCCCCCCCC(=O)[O-])nn1 ZINC001254095421 1315672078 /nfs/dbraw/zinc/67/20/78/1315672078.db2.gz QDQUPOGYEQJAJE-UHFFFAOYSA-N -1 0 344.459 2.552 20 30 EFEDRM C#Cc1ccc(-c2c(-c3ccccc3)nnn2CCOCC(=O)[O-])cc1 ZINC001254089956 1315672312 /nfs/dbraw/zinc/67/23/12/1315672312.db2.gz ZEUOYGLJWWUWLV-UHFFFAOYSA-N -1 0 347.374 2.695 20 30 EFEDRM C#CCOc1ccc(OCc2cn(-c3cccc(C(=O)[O-])c3)nn2)cc1 ZINC001254098337 1315672691 /nfs/dbraw/zinc/67/26/91/1315672691.db2.gz GZKWCSHFWCWGDH-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001254360725 1315697315 /nfs/dbraw/zinc/69/73/15/1315697315.db2.gz XRRCHHWQOOOKIP-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001254435785 1315703990 /nfs/dbraw/zinc/70/39/90/1315703990.db2.gz IGWRLQFDNYIEBM-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254887909 1315755058 /nfs/dbraw/zinc/75/50/58/1315755058.db2.gz WBYYVCHVIXYFFQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)cc1 ZINC001255274857 1315799190 /nfs/dbraw/zinc/79/91/90/1315799190.db2.gz WHXCQVFLYQSQIL-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccccc2F)cc1C(F)(F)F ZINC001255424368 1315822326 /nfs/dbraw/zinc/82/23/26/1315822326.db2.gz QWOBJKHCZXTDIT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001255991096 1315889690 /nfs/dbraw/zinc/88/96/90/1315889690.db2.gz ISIWWECCMRDTKV-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC001255991332 1315889798 /nfs/dbraw/zinc/88/97/98/1315889798.db2.gz NEPDQQIFUCTHEZ-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1F ZINC001256083601 1315902897 /nfs/dbraw/zinc/90/28/97/1315902897.db2.gz WOEQJQWUAVOUKI-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256410996 1315936522 /nfs/dbraw/zinc/93/65/22/1315936522.db2.gz KIGSCCOCRPSEKX-UHFFFAOYSA-N -1 0 330.822 2.851 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(OCc2csc(C)n2)c1)C(=O)[O-] ZINC001256550105 1315955604 /nfs/dbraw/zinc/95/56/04/1315955604.db2.gz FBNISTLSYLUMMT-OAHLLOKOSA-N -1 0 346.408 2.790 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256575195 1315962292 /nfs/dbraw/zinc/96/22/92/1315962292.db2.gz UKUJHIBFVOLLTP-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC001257920739 1316104222 /nfs/dbraw/zinc/10/42/22/1316104222.db2.gz PQVPFZDTSUOTEA-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc2ccccc21 ZINC001258053767 1316115880 /nfs/dbraw/zinc/11/58/80/1316115880.db2.gz NUASQPYJDYPIJS-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCOC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258115999 1316119772 /nfs/dbraw/zinc/11/97/72/1316119772.db2.gz CGWKONOZZOSYDF-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COC(=O)c1c(C)scc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258208714 1316131444 /nfs/dbraw/zinc/13/14/44/1316131444.db2.gz VCDGHXBGYKDNHC-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COCCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001258266480 1316135279 /nfs/dbraw/zinc/13/52/79/1316135279.db2.gz KGUNBAQYDUTLGM-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2c(=O)[nH]ccc12 ZINC001258273977 1316135748 /nfs/dbraw/zinc/13/57/48/1316135748.db2.gz WRAAVCXUJONFRG-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccncn2)cc1 ZINC001258278736 1316135786 /nfs/dbraw/zinc/13/57/86/1316135786.db2.gz FCJRAFSPEXTIMN-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COC(=O)[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001258283347 1316136169 /nfs/dbraw/zinc/13/61/69/1316136169.db2.gz RSXNQMCBAMUFBS-GFCCVEGCSA-N -1 0 344.392 2.636 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258279268 1316136367 /nfs/dbraw/zinc/13/63/67/1316136367.db2.gz XLVIFIZWNDHOAY-UHFFFAOYSA-N -1 0 342.376 2.702 20 30 EFEDRM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258283077 1316136380 /nfs/dbraw/zinc/13/63/80/1316136380.db2.gz IOZFOQOHODONIC-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1C(C)=O ZINC001258279290 1316136436 /nfs/dbraw/zinc/13/64/36/1316136436.db2.gz YHYJNIWRKWKABP-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1C#N ZINC001258675965 1316171025 /nfs/dbraw/zinc/17/10/25/1316171025.db2.gz PAEVTBSFWJMSIK-UHFFFAOYSA-N -1 0 329.740 2.756 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(Cl)cc1C ZINC000796634660 1316181889 /nfs/dbraw/zinc/18/18/89/1316181889.db2.gz ZSTSUTLGNCSKII-CQSZACIVSA-N -1 0 336.819 2.822 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258911930 1316192002 /nfs/dbraw/zinc/19/20/02/1316192002.db2.gz YSNWCEAWXHCOHQ-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(O)cc1F ZINC001258916249 1316192366 /nfs/dbraw/zinc/19/23/66/1316192366.db2.gz ADVUEUCQHJPVEJ-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2cc(F)ccc2F)c1C#N ZINC001258941950 1316194518 /nfs/dbraw/zinc/19/45/18/1316194518.db2.gz DELJYBAROWEMFW-UHFFFAOYSA-N -1 0 341.339 2.923 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2OC)ccc1F ZINC001258959265 1316197402 /nfs/dbraw/zinc/19/74/02/1316197402.db2.gz QPHVSINBCHKUEI-UHFFFAOYSA-N -1 0 335.356 2.625 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C#N)c(OC)c1 ZINC001258958754 1316197431 /nfs/dbraw/zinc/19/74/31/1316197431.db2.gz QXPYEJNTLUFJSS-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1sccc1C#N)C(=O)C2 ZINC001258967066 1316198195 /nfs/dbraw/zinc/19/81/95/1316198195.db2.gz UDSVYEMLFQAWOK-NHYWBVRUSA-N -1 0 338.454 2.757 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC001259034170 1316199814 /nfs/dbraw/zinc/19/98/14/1316199814.db2.gz AUGCDYBQBZABGW-CYBMUJFWSA-N -1 0 326.299 2.647 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259034592 1316200262 /nfs/dbraw/zinc/20/02/62/1316200262.db2.gz KZMTYYBVLTWHNO-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cc(F)c(F)cc1F ZINC001259042197 1316201394 /nfs/dbraw/zinc/20/13/94/1316201394.db2.gz YAEXPWAVXWBLRI-UHFFFAOYSA-N -1 0 343.195 2.580 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1F ZINC001259070073 1316204159 /nfs/dbraw/zinc/20/41/59/1316204159.db2.gz KLPFVPCVPHJAJH-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)cc1 ZINC001259070456 1316204317 /nfs/dbraw/zinc/20/43/17/1316204317.db2.gz IKOHPNMWXPARMQ-CYBMUJFWSA-N -1 0 326.299 2.647 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC001259073963 1316205210 /nfs/dbraw/zinc/20/52/10/1316205210.db2.gz XNPDLLJYNQPMSJ-NSHDSACASA-N -1 0 326.299 2.647 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259079444 1316205922 /nfs/dbraw/zinc/20/59/22/1316205922.db2.gz WYHGNOBRODOERF-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259079808 1316206091 /nfs/dbraw/zinc/20/60/91/1316206091.db2.gz VNGKWHBSCAEJIB-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259084204 1316206682 /nfs/dbraw/zinc/20/66/82/1316206682.db2.gz ACJVFTRWXWCNML-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC001259106876 1316210353 /nfs/dbraw/zinc/21/03/53/1316210353.db2.gz PSZPPBHAQZWQNM-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259107063 1316210362 /nfs/dbraw/zinc/21/03/62/1316210362.db2.gz BKJNYMCVDZJNLQ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C#N ZINC001259106422 1316210477 /nfs/dbraw/zinc/21/04/77/1316210477.db2.gz LAKNISJVXUKMKJ-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3cnccc23)c(Cl)c1 ZINC001259107290 1316210656 /nfs/dbraw/zinc/21/06/56/1316210656.db2.gz PGAVTEXZIWEIFE-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107096 1316210665 /nfs/dbraw/zinc/21/06/65/1316210665.db2.gz DFZCLWWLXCFPRN-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)c(Cl)c1 ZINC001259107714 1316210695 /nfs/dbraw/zinc/21/06/95/1316210695.db2.gz NBWTYJOSMRFHHB-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC001259107692 1316210735 /nfs/dbraw/zinc/21/07/35/1316210735.db2.gz MDASNOYIXAYKFL-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C#N ZINC001259112973 1316210854 /nfs/dbraw/zinc/21/08/54/1316210854.db2.gz VYEUFGOUZQLJCF-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c(Cl)c1 ZINC001259113053 1316210892 /nfs/dbraw/zinc/21/08/92/1316210892.db2.gz ANOPWRBXPMQSQU-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cn1cc2c(cccc2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC001259112603 1316210901 /nfs/dbraw/zinc/21/09/01/1316210901.db2.gz XDSANUKBQWGSHC-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CO)c(F)c2)c(Cl)c1 ZINC001259114109 1316210921 /nfs/dbraw/zinc/21/09/21/1316210921.db2.gz PZPUEHUHXJONKC-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C#N ZINC001259112465 1316210979 /nfs/dbraw/zinc/21/09/79/1316210979.db2.gz LUCAAZLPFZNOIZ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C3)c(Cl)c1 ZINC001259112895 1316211257 /nfs/dbraw/zinc/21/12/57/1316211257.db2.gz QRMVYVWVXIVNBE-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2F)c1 ZINC001259118490 1316211697 /nfs/dbraw/zinc/21/16/97/1316211697.db2.gz ITPYAVSZHUMJJA-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCC3)nc2)c1 ZINC001259118147 1316211813 /nfs/dbraw/zinc/21/18/13/1316211813.db2.gz DYEOLGBKDKDOCH-UHFFFAOYSA-N -1 0 343.408 2.933 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(OC)c1F ZINC001259125100 1316212130 /nfs/dbraw/zinc/21/21/30/1316212130.db2.gz LEDFMBXSTDLBJJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(C#N)c1 ZINC001259158484 1316214256 /nfs/dbraw/zinc/21/42/56/1316214256.db2.gz JVKCMNLYGGYENY-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1 ZINC001259171937 1316214609 /nfs/dbraw/zinc/21/46/09/1316214609.db2.gz YGDGHTBOIAEGHE-UHFFFAOYSA-N -1 0 346.412 2.513 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1 ZINC001259177559 1316215377 /nfs/dbraw/zinc/21/53/77/1316215377.db2.gz GLKVBJUXAXUMBR-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1 ZINC001259178042 1316215741 /nfs/dbraw/zinc/21/57/41/1316215741.db2.gz APVPIEXCYOVIRF-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC001259189583 1316217365 /nfs/dbraw/zinc/21/73/65/1316217365.db2.gz SGHYNTWURNYZPM-UHFFFAOYSA-N -1 0 347.392 2.839 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2OC)c1 ZINC001259204361 1316219830 /nfs/dbraw/zinc/21/98/30/1316219830.db2.gz MTZGDEVPGUGKBZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1C#N ZINC001259205201 1316220112 /nfs/dbraw/zinc/22/01/12/1316220112.db2.gz GMRJYQHHLNFOFC-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259305819 1316228062 /nfs/dbraw/zinc/22/80/62/1316228062.db2.gz BOYQANFSIIQTLT-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC001259339617 1316231501 /nfs/dbraw/zinc/23/15/01/1316231501.db2.gz ZWIGHOGOJPOBPR-UHFFFAOYSA-N -1 0 336.394 2.500 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356999 1316232276 /nfs/dbraw/zinc/23/22/76/1316232276.db2.gz IGIOHPLHZZGCPM-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259362697 1316233674 /nfs/dbraw/zinc/23/36/74/1316233674.db2.gz HEHDRIIFDVGFEU-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM N#Cc1cc(F)cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259368847 1316234092 /nfs/dbraw/zinc/23/40/92/1316234092.db2.gz BFNFBMMUCMEDLT-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C#N ZINC001259376924 1316234880 /nfs/dbraw/zinc/23/48/80/1316234880.db2.gz AOWHBZLNQGBZSV-UHFFFAOYSA-N -1 0 335.366 2.576 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391870 1316236777 /nfs/dbraw/zinc/23/67/77/1316236777.db2.gz JDKDLHLTAWDDLV-UHFFFAOYSA-N -1 0 347.425 2.746 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(O)c1 ZINC001259397107 1316237300 /nfs/dbraw/zinc/23/73/00/1316237300.db2.gz QGKBDVLWXYAQPD-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412949 1316239188 /nfs/dbraw/zinc/23/91/88/1316239188.db2.gz MUWVOOWXTUXZPG-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC001259412205 1316239212 /nfs/dbraw/zinc/23/92/12/1316239212.db2.gz UABOJIVHJROTOO-UHFFFAOYSA-N -1 0 347.396 2.920 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)ccc1F ZINC001259411842 1316239346 /nfs/dbraw/zinc/23/93/46/1316239346.db2.gz GWZHDLCDDPQNPT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259413578 1316239932 /nfs/dbraw/zinc/23/99/32/1316239932.db2.gz PGZZVYLAJRVXOT-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259418955 1316240197 /nfs/dbraw/zinc/24/01/97/1316240197.db2.gz ZUJYVQVUCRRRMN-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259453388 1316244935 /nfs/dbraw/zinc/24/49/35/1316244935.db2.gz NUYGPGSVLQMKFJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259458274 1316245616 /nfs/dbraw/zinc/24/56/16/1316245616.db2.gz MEYMXQQUVQLRLO-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001259485638 1316250379 /nfs/dbraw/zinc/25/03/79/1316250379.db2.gz ZARLUWXNFFJTSZ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F ZINC001259492814 1316250702 /nfs/dbraw/zinc/25/07/02/1316250702.db2.gz FLPFBHGIGPLSSL-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C#N ZINC001259500862 1316252358 /nfs/dbraw/zinc/25/23/58/1316252358.db2.gz LXGARRVFCDUNHC-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259501538 1316252362 /nfs/dbraw/zinc/25/23/62/1316252362.db2.gz MIPOEESBYMTVEB-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259608371 1316260807 /nfs/dbraw/zinc/26/08/07/1316260807.db2.gz HLEJUXNSZDKCSK-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccnc2)cc(C(F)(F)F)c1 ZINC001259607759 1316260843 /nfs/dbraw/zinc/26/08/43/1316260843.db2.gz HZPMWZBSUPDJRW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259755199 1316273603 /nfs/dbraw/zinc/27/36/03/1316273603.db2.gz AYZGLJDKROHCAS-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259760559 1316273983 /nfs/dbraw/zinc/27/39/83/1316273983.db2.gz IJWMEOSYGMOQRI-UHFFFAOYSA-N -1 0 343.383 2.862 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761329 1316274057 /nfs/dbraw/zinc/27/40/57/1316274057.db2.gz XIJLBNARANMMJO-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccc(C#N)cc3)cc2)cn1 ZINC001259819422 1316284297 /nfs/dbraw/zinc/28/42/97/1316284297.db2.gz FSRRZRXODLOMAB-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2ccc(Cl)nc2C#N)cc1 ZINC001259892056 1316293583 /nfs/dbraw/zinc/29/35/83/1316293583.db2.gz HKHMGACCMDLGCA-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(C3(C#N)CCCC3)cc2)n1 ZINC001259944184 1316300253 /nfs/dbraw/zinc/30/02/53/1316300253.db2.gz MOXTXQTWZHATLC-UHFFFAOYSA-N -1 0 330.413 2.556 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C#N ZINC001260010729 1316305741 /nfs/dbraw/zinc/30/57/41/1316305741.db2.gz URDOLGDLNUIOBR-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1O ZINC001260011022 1316306253 /nfs/dbraw/zinc/30/62/53/1316306253.db2.gz UYGYAJCYFHCJNF-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)cc1 ZINC001260038304 1316309667 /nfs/dbraw/zinc/30/96/67/1316309667.db2.gz ZCFFQGWLRYIJAQ-UHFFFAOYSA-N -1 0 347.343 2.975 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2nc3c(cccc3O)s2)cc1 ZINC001260037493 1316309738 /nfs/dbraw/zinc/30/97/38/1316309738.db2.gz REMBHBJNKNNLSS-UHFFFAOYSA-N -1 0 345.405 2.815 20 30 EFEDRM COc1cccc(OC)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043272 1316310438 /nfs/dbraw/zinc/31/04/38/1316310438.db2.gz JEJHPPLFOMHUKL-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](C2CCC2)C(F)(F)F)cc1 ZINC001260046396 1316310977 /nfs/dbraw/zinc/31/09/77/1316310977.db2.gz NSHTZFOPWCMACP-CYBMUJFWSA-N -1 0 332.347 2.709 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)c(C#N)c1 ZINC001260087640 1316314466 /nfs/dbraw/zinc/31/44/66/1316314466.db2.gz WUXHKUIIUKZWRV-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)cnc2C)c2ccncc12 ZINC001260086961 1316314679 /nfs/dbraw/zinc/31/46/79/1316314679.db2.gz CKVQXTZOIVKAPN-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189731 1316321849 /nfs/dbraw/zinc/32/18/49/1316321849.db2.gz ZXXQUQAMBMWAOQ-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001260195770 1316322274 /nfs/dbraw/zinc/32/22/74/1316322274.db2.gz HFXGVEFIILRPRH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001260194009 1316322369 /nfs/dbraw/zinc/32/23/69/1316322369.db2.gz BWKFMMRBHBXOJI-MRXNPFEDSA-N -1 0 331.393 2.981 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)cn1 ZINC001260197577 1316322698 /nfs/dbraw/zinc/32/26/98/1316322698.db2.gz HBYCBRNATCAIEB-UHFFFAOYSA-N -1 0 328.727 2.795 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260197802 1316322739 /nfs/dbraw/zinc/32/27/39/1316322739.db2.gz NQMAQVLVXLWCTI-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260277557 1316327259 /nfs/dbraw/zinc/32/72/59/1316327259.db2.gz PCLDUCVFERTVBT-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1O ZINC001260297977 1316330222 /nfs/dbraw/zinc/33/02/22/1316330222.db2.gz JWDXISJHQCRVDC-UHFFFAOYSA-N -1 0 336.344 2.521 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001260298784 1316330251 /nfs/dbraw/zinc/33/02/51/1316330251.db2.gz RSGMOEBFJHBXKV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#CCNS(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001260338184 1316332325 /nfs/dbraw/zinc/33/23/25/1316332325.db2.gz HCGXZFCPKBTMQH-UHFFFAOYSA-N -1 0 333.118 2.814 20 30 EFEDRM N#Cc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC001260353734 1316333470 /nfs/dbraw/zinc/33/34/70/1316333470.db2.gz DCHLENRPZRYFEY-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441766 1316338977 /nfs/dbraw/zinc/33/89/77/1316338977.db2.gz XNXOJAOJGJPENU-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260447351 1316339219 /nfs/dbraw/zinc/33/92/19/1316339219.db2.gz XAPMUHMHKDNROB-UHFFFAOYSA-N -1 0 332.362 2.527 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260451640 1316339671 /nfs/dbraw/zinc/33/96/71/1316339671.db2.gz QRPVKRQQMCDWBS-UHFFFAOYSA-N -1 0 344.323 2.605 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260452134 1316340003 /nfs/dbraw/zinc/34/00/03/1316340003.db2.gz BPRRRASAKSTJLK-UHFFFAOYSA-N -1 0 344.323 2.605 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC001260495822 1316342108 /nfs/dbraw/zinc/34/21/08/1316342108.db2.gz SVQODXRVAOGNIL-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2Cl)cn1C ZINC001260550045 1316345447 /nfs/dbraw/zinc/34/54/47/1316345447.db2.gz KVSFVKCQVCPCFT-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C#N)cn1C ZINC001260550236 1316345502 /nfs/dbraw/zinc/34/55/02/1316345502.db2.gz RXEVGBFBGYTSEK-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2cncc(C#N)n2)cc1 ZINC001260567873 1316346330 /nfs/dbraw/zinc/34/63/30/1316346330.db2.gz SZSBKMDVNHMGOK-UHFFFAOYSA-N -1 0 330.413 2.882 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC001260573038 1316347493 /nfs/dbraw/zinc/34/74/93/1316347493.db2.gz LCTNPWHBNHBVRD-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)Cc2ccccc2F)c1C#N ZINC001260622194 1316349104 /nfs/dbraw/zinc/34/91/04/1316349104.db2.gz JHYGIHBAISBIJD-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260622534 1316349418 /nfs/dbraw/zinc/34/94/18/1316349418.db2.gz LKOFMOJVDJKACN-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628629 1316350254 /nfs/dbraw/zinc/35/02/54/1316350254.db2.gz IEOXGXDBVWPSFH-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C#N)c1 ZINC001260637906 1316352350 /nfs/dbraw/zinc/35/23/50/1316352350.db2.gz XAVPWUKXHYZKNZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ncc(C#N)cc1Cl ZINC001260643268 1316352888 /nfs/dbraw/zinc/35/28/88/1316352888.db2.gz ASHGITUGLRYNEX-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)nc1 ZINC001260643826 1316352908 /nfs/dbraw/zinc/35/29/08/1316352908.db2.gz HZYYMTRLHOKWIT-UHFFFAOYSA-N -1 0 349.387 2.831 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1C#N ZINC001260651329 1316354775 /nfs/dbraw/zinc/35/47/75/1316354775.db2.gz WQOPCSFNNZVXFC-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2OC)cc1F ZINC001260661655 1316355702 /nfs/dbraw/zinc/35/57/02/1316355702.db2.gz VOUWWQKRKOGJBV-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c(C#N)c1 ZINC001260662007 1316355739 /nfs/dbraw/zinc/35/57/39/1316355739.db2.gz XAAIEEVVYVSLEI-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2ccccc2Cl)c1C#N ZINC001260689288 1316359582 /nfs/dbraw/zinc/35/95/82/1316359582.db2.gz GHFSMXYAAZOWTK-UHFFFAOYSA-N -1 0 327.818 2.919 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001260772124 1316367122 /nfs/dbraw/zinc/36/71/22/1316367122.db2.gz POVBDFSIGDSTIT-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cnccc1C#N ZINC001260778638 1316368097 /nfs/dbraw/zinc/36/80/97/1316368097.db2.gz FDSYQJKGNVQSDB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260818910 1316371545 /nfs/dbraw/zinc/37/15/45/1316371545.db2.gz DBWUVEHUVAQXDZ-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM O=S(=O)(c1cc(Cl)c([O-])c(Cl)c1)N1CCC(S)CC1 ZINC001260872087 1316374740 /nfs/dbraw/zinc/37/47/40/1316374740.db2.gz HXQMIGRHMFRUAF-UHFFFAOYSA-N -1 0 342.269 2.782 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2snc(C)c2C#N)cc1Cl ZINC001260967323 1316378915 /nfs/dbraw/zinc/37/89/15/1316378915.db2.gz YVUWBIKMKHSFIY-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261005025 1316384098 /nfs/dbraw/zinc/38/40/98/1316384098.db2.gz RTLYSSNQPQVKOY-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC001261005370 1316384138 /nfs/dbraw/zinc/38/41/38/1316384138.db2.gz ZKNFTAHMCADTTJ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001261029851 1316386202 /nfs/dbraw/zinc/38/62/02/1316386202.db2.gz VXRKAIYGCMKNNH-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C#N)cc(C(F)(F)F)c1 ZINC001261029883 1316386332 /nfs/dbraw/zinc/38/63/32/1316386332.db2.gz XYVGULFMOPDSFV-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C#N ZINC001261029798 1316386407 /nfs/dbraw/zinc/38/64/07/1316386407.db2.gz QOVQVIXOUOEZAT-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072913 1316388069 /nfs/dbraw/zinc/38/80/69/1316388069.db2.gz KHPAWOKGWYBADJ-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073677 1316388086 /nfs/dbraw/zinc/38/80/86/1316388086.db2.gz RCZIWHKMBOHJAD-UHFFFAOYSA-N -1 0 348.771 2.743 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C#N ZINC001261077123 1316388238 /nfs/dbraw/zinc/38/82/38/1316388238.db2.gz LUJODXVPCIYIJB-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Br)ccc1CC)C(=O)[O-] ZINC001262177360 1316451100 /nfs/dbraw/zinc/45/11/00/1316451100.db2.gz RZJMDBSZACONCI-LBPRGKRZSA-N -1 0 326.190 2.771 20 30 EFEDRM C#CCN(C)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001262610671 1316475461 /nfs/dbraw/zinc/47/54/61/1316475461.db2.gz BUALYLXSAVAIRU-UHFFFAOYSA-N -1 0 347.006 2.622 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001263344743 1316535163 /nfs/dbraw/zinc/53/51/63/1316535163.db2.gz PAEWYTQGUHVZMS-ZIAGYGMSSA-N -1 0 344.463 2.926 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001319766677 1328981712 /nfs/dbraw/zinc/98/17/12/1328981712.db2.gz OCDQYDAXIWAJTD-UHFFFAOYSA-N -1 0 336.240 2.903 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cc(OCC(F)F)ccn2)c1 ZINC001319880923 1329026873 /nfs/dbraw/zinc/02/68/73/1329026873.db2.gz VPDPHINVKAPPNG-WSVATBPTSA-N -1 0 337.282 2.958 20 30 EFEDRM C=CC[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001320088882 1329073496 /nfs/dbraw/zinc/07/34/96/1329073496.db2.gz HBZXPEIITIRVNM-FSKGUYTJSA-N -1 0 326.736 2.881 20 30 EFEDRM C=CC[C@@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001321206778 1329356732 /nfs/dbraw/zinc/35/67/32/1329356732.db2.gz RSMNKLVDKCPFMU-ZWLSGLHFSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1CC)C(=O)[O-] ZINC001321167367 1329351609 /nfs/dbraw/zinc/35/16/09/1329351609.db2.gz VKSKXLDHGOLZQY-CQSZACIVSA-N -1 0 347.802 2.847 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC001321279126 1329367261 /nfs/dbraw/zinc/36/72/61/1329367261.db2.gz XQGWXWUGICGDFH-CQSZACIVSA-N -1 0 337.395 2.500 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Cl)c(-n2cccc2)cc1OC)C(=O)[O-] ZINC001321657079 1329401443 /nfs/dbraw/zinc/40/14/43/1329401443.db2.gz BXGSCBHJQAMQQW-CYBMUJFWSA-N -1 0 348.786 2.898 20 30 EFEDRM C=CC[C@@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)C(=O)[O-] ZINC001321658724 1329401582 /nfs/dbraw/zinc/40/15/82/1329401582.db2.gz UVUXDSNGJVDXCP-GFCCVEGCSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC001321658116 1329401617 /nfs/dbraw/zinc/40/16/17/1329401617.db2.gz OETNQSVYWBQDNF-AWEZNQCLSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC001321657541 1329401736 /nfs/dbraw/zinc/40/17/36/1329401736.db2.gz JAQRDEMJRLWVQW-CQSZACIVSA-N -1 0 325.368 2.509 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(OCC#N)cc3)cc2=O)cc1 ZINC001322075398 1329426666 /nfs/dbraw/zinc/42/66/66/1329426666.db2.gz DPCSSVBXCYARRU-UHFFFAOYSA-N -1 0 348.362 2.629 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC001322598771 1329471039 /nfs/dbraw/zinc/47/10/39/1329471039.db2.gz FYOJLBCXIPJEKP-ZDUSSCGKSA-N -1 0 347.415 2.674 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C(=O)[O-] ZINC001322602028 1329471462 /nfs/dbraw/zinc/47/14/62/1329471462.db2.gz SVJLQLQLCPMGSS-ZDUSSCGKSA-N -1 0 338.791 2.694 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001324163609 1329604692 /nfs/dbraw/zinc/60/46/92/1329604692.db2.gz NEAVRLCFYCMIPX-UHFFFAOYSA-N -1 0 344.758 2.804 20 30 EFEDRM Cc1cccc(N2N=C(C(=O)Nc3cc(C#N)ccc3[O-])CCC2=O)c1 ZINC001324479703 1329631346 /nfs/dbraw/zinc/63/13/46/1329631346.db2.gz FSUVSRYGAXFPEA-UHFFFAOYSA-N -1 0 348.362 2.694 20 30 EFEDRM C=C(C)CCNC(=O)c1cccc(I)c1[O-] ZINC001324921699 1329659211 /nfs/dbraw/zinc/65/92/11/1329659211.db2.gz SINDIIDSBQDMNZ-UHFFFAOYSA-N -1 0 331.153 2.693 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001325066129 1329668861 /nfs/dbraw/zinc/66/88/61/1329668861.db2.gz QYEHVLWQXYXAPH-OLZOCXBDSA-N -1 0 338.791 2.882 20 30 EFEDRM CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1 ZINC001325194786 1329674611 /nfs/dbraw/zinc/67/46/11/1329674611.db2.gz VAUBSJLNEDKMDO-UHFFFAOYSA-N -1 0 331.372 2.650 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)C(=O)[O-] ZINC001326502125 1330306534 /nfs/dbraw/zinc/30/65/34/1330306534.db2.gz KXLAZUWTXLOKKU-OAHLLOKOSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)C(=O)[O-] ZINC001327013223 1330399108 /nfs/dbraw/zinc/39/91/08/1330399108.db2.gz ITPVQPVRFJBBTP-CYBMUJFWSA-N -1 0 342.351 2.599 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001327588425 1330498894 /nfs/dbraw/zinc/49/88/94/1330498894.db2.gz VVBJHNJEGPKLBC-UHFFFAOYSA-N -1 0 344.314 2.846 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001330000074 1330760464 /nfs/dbraw/zinc/76/04/64/1330760464.db2.gz OLHZCXOODYUGHP-UHFFFAOYSA-N -1 0 327.361 2.669 20 30 EFEDRM Cc1oc(-c2ccccc2)cc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC001331523342 1330848079 /nfs/dbraw/zinc/84/80/79/1330848079.db2.gz HEGXXRRJYPAPFX-UHFFFAOYSA-N -1 0 332.381 2.618 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1 ZINC001333619807 1331182138 /nfs/dbraw/zinc/18/21/38/1331182138.db2.gz TZIIUPDEDPJYTL-UHFFFAOYSA-N -1 0 336.457 2.612 20 30 EFEDRM [O-]c1c(Br)cc(Cl)cc1C=NN1CCC[C@@H]1CO ZINC001333643247 1331185767 /nfs/dbraw/zinc/18/57/67/1331185767.db2.gz NIDGEQZZISGKGW-SNVBAGLBSA-N -1 0 333.613 2.599 20 30 EFEDRM C=CC[C@@H](NCc1cc(Br)cc(F)c1[O-])C(=O)OCC ZINC001333712901 1331199408 /nfs/dbraw/zinc/19/94/08/1331199408.db2.gz FFHHOWWVDGCAPR-GFCCVEGCSA-N -1 0 346.196 2.891 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cccc3cccnc32)CC1 ZINC001334226153 1331268808 /nfs/dbraw/zinc/26/88/08/1331268808.db2.gz AFQCIUQVAOHMOS-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM N#CCCNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001336568884 1331484074 /nfs/dbraw/zinc/48/40/74/1331484074.db2.gz GYFSSXJASNHKNT-UHFFFAOYSA-N -1 0 347.994 2.561 20 30 EFEDRM C[C@@H](Oc1ccc(C=NN[C@H]2CC(C)(C)OC2(C)C)cc1)C(=O)[O-] ZINC001337007440 1331526337 /nfs/dbraw/zinc/52/63/37/1331526337.db2.gz NAYDGBNWAGQDPC-DOMZBBRYSA-N -1 0 334.416 2.808 20 30 EFEDRM C[C@H]1CN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)Cc2ccccc21 ZINC001338059434 1331643582 /nfs/dbraw/zinc/64/35/82/1331643582.db2.gz LACXBCQWFLEJOM-LBPRGKRZSA-N -1 0 346.394 2.578 20 30 EFEDRM C[C@@H]1CN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)Cc2ccccc21 ZINC001338059433 1331643899 /nfs/dbraw/zinc/64/38/99/1331643899.db2.gz LACXBCQWFLEJOM-GFCCVEGCSA-N -1 0 346.394 2.578 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(C)(C)CC1 ZINC001339157359 1331804947 /nfs/dbraw/zinc/80/49/47/1331804947.db2.gz IQINKJQXAKFCGV-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001339739530 1331947619 /nfs/dbraw/zinc/94/76/19/1331947619.db2.gz BEMZXHXMTADTPM-HNNXBMFYSA-N -1 0 343.383 2.521 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC001339953926 1332119975 /nfs/dbraw/zinc/11/99/75/1332119975.db2.gz QERHPXIFMGGUIV-UHFFFAOYSA-N -1 0 349.406 2.624 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CC1CCC1 ZINC001340207145 1332154150 /nfs/dbraw/zinc/15/41/50/1332154150.db2.gz LJIDXRFWMUESJM-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@H](C)C1 ZINC001340502681 1332197328 /nfs/dbraw/zinc/19/73/28/1332197328.db2.gz VGFYHKCSIZTCGV-NSHDSACASA-N -1 0 329.360 2.591 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2ccc(Cl)cc2)nn1C ZINC001341788079 1332284090 /nfs/dbraw/zinc/28/40/90/1332284090.db2.gz WNKFKZJUHXQZEM-ZDUSSCGKSA-N -1 0 344.802 2.588 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001342098840 1332304242 /nfs/dbraw/zinc/30/42/42/1332304242.db2.gz CASZRMPSYDXTKI-LLVKDONJSA-N -1 0 329.360 2.591 20 30 EFEDRM C=C(C)Cn1c(-c2cc(Cl)ncc2O)nnc1N1CC[C@H](OC)C1 ZINC001342189408 1332314994 /nfs/dbraw/zinc/31/49/94/1332314994.db2.gz UZLZPFGVURRHBN-NSHDSACASA-N -1 0 349.822 2.500 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001342248636 1332323583 /nfs/dbraw/zinc/32/35/83/1332323583.db2.gz UMBNUOOULBKJKP-STQMWFEESA-N -1 0 330.436 2.678 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN1CCSC1=O ZINC001342548109 1332333349 /nfs/dbraw/zinc/33/33/49/1332333349.db2.gz IGMYORHHZHLKLK-GFCCVEGCSA-N -1 0 341.392 2.537 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)c(C)cc1C ZINC001343484046 1332350301 /nfs/dbraw/zinc/35/03/01/1332350301.db2.gz MFPBBDSJZIRTGJ-GFCCVEGCSA-N -1 0 335.201 2.691 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(Cl)c1 ZINC001343562680 1332357930 /nfs/dbraw/zinc/35/79/30/1332357930.db2.gz FKJCJBUUIOOZED-ZDUSSCGKSA-N -1 0 349.818 2.927 20 30 EFEDRM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1cccc(F)n1)C(N)=O ZINC001344035898 1332398886 /nfs/dbraw/zinc/39/88/86/1332398886.db2.gz PQHHUDGACFZQHC-CMPLNLGQSA-N -1 0 343.383 2.677 20 30 EFEDRM C=CC[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001344555857 1332462845 /nfs/dbraw/zinc/46/28/45/1332462845.db2.gz LTQSUAMHAGDAFN-MRXNPFEDSA-N -1 0 325.364 2.878 20 30 EFEDRM CCc1ccccc1-n1cc(C([O-])=C(C#N)c2nccn2CC)nn1 ZINC001345646882 1332555256 /nfs/dbraw/zinc/55/52/56/1332555256.db2.gz PBXBXPMKMLULIM-CQSZACIVSA-N -1 0 334.383 2.536 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)c2nccn2CC)nn1-c1ccccc1 ZINC001345647319 1332555355 /nfs/dbraw/zinc/55/53/55/1332555355.db2.gz WGBBUQNWYMJXSD-AWEZNQCLSA-N -1 0 334.383 2.536 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1Cl ZINC001346199446 1332610390 /nfs/dbraw/zinc/61/03/90/1332610390.db2.gz WOMKIGFCSUBITA-LBPRGKRZSA-N -1 0 337.807 2.763 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2cc(OC)ccc2c1 ZINC001346199234 1332610715 /nfs/dbraw/zinc/61/07/15/1332610715.db2.gz QTMOWEJYMPIYTF-MRXNPFEDSA-N -1 0 339.395 2.872 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccnc2N(C)C)c1)C(=O)[O-] ZINC001346401469 1332635195 /nfs/dbraw/zinc/63/51/95/1332635195.db2.gz MKHFXSJFRGCFKO-XPSMFNQNSA-N -1 0 340.379 2.896 20 30 EFEDRM Cc1cc(Cl)nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC001346528238 1332653345 /nfs/dbraw/zinc/65/33/45/1332653345.db2.gz YNOKBNIJWCSTRM-NSHDSACASA-N -1 0 329.791 2.851 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)[C@@H](C)C1CC1 ZINC001346670979 1332670741 /nfs/dbraw/zinc/67/07/41/1332670741.db2.gz PNBWFQFTBODRRR-LBPRGKRZSA-N -1 0 330.436 2.678 20 30 EFEDRM C[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)CNC(=O)OC(C)(C)C ZINC001349824196 1333002247 /nfs/dbraw/zinc/00/22/47/1333002247.db2.gz PWZQAKHOPXLGIU-GFCCVEGCSA-N -1 0 335.404 2.872 20 30 EFEDRM Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC(C)(C)c2ccccc21 ZINC001350599121 1333101388 /nfs/dbraw/zinc/10/13/88/1333101388.db2.gz RHLRWANYIKTIBC-UHFFFAOYSA-N -1 0 346.394 2.884 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2nc3ccccc3o2)cc1C#N ZINC001351895267 1333315724 /nfs/dbraw/zinc/31/57/24/1333315724.db2.gz PURQLHFSIBZQPA-UHFFFAOYSA-N -1 0 340.364 2.799 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001352013116 1333352265 /nfs/dbraw/zinc/35/22/65/1333352265.db2.gz IYEZNWINWWGAFG-QWHCGFSZSA-N -1 0 338.415 2.586 20 30 EFEDRM CCOC(=O)C(C)(C)ON=Cc1cc(Br)cc(F)c1[O-] ZINC001353067069 1333902325 /nfs/dbraw/zinc/90/23/25/1333902325.db2.gz BYEFLOYARSDNIQ-UHFFFAOYSA-N -1 0 348.168 2.986 20 30 EFEDRM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2O1 ZINC000847625212 1334023005 /nfs/dbraw/zinc/02/30/05/1334023005.db2.gz FMEPPUSQHOXEAP-OAHLLOKOSA-N -1 0 326.396 2.781 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000847645711 1334065840 /nfs/dbraw/zinc/06/58/40/1334065840.db2.gz ZJWKQSBRAJDUES-CYBMUJFWSA-N -1 0 336.457 2.619 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001354293230 1334216062 /nfs/dbraw/zinc/21/60/62/1334216062.db2.gz MEMNENQXRDKYGA-BBRMVZONSA-N -1 0 331.416 2.676 20 30 EFEDRM O=C([O-])Cc1ccc(N=NC2CCN(c3nccs3)CC2)cc1 ZINC000848414786 1334712530 /nfs/dbraw/zinc/71/25/30/1334712530.db2.gz DCKKHZOWRFVGIR-UHFFFAOYSA-N -1 0 330.413 2.839 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncc(Br)cn1 ZINC000848419702 1334714608 /nfs/dbraw/zinc/71/46/08/1334714608.db2.gz CMAJHMRNDALYQN-HTQZYQBOSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001355889010 1334898797 /nfs/dbraw/zinc/89/87/97/1334898797.db2.gz VPGWNYHDKHZLQR-UKRRQHHQSA-N -1 0 342.447 2.822 20 30 EFEDRM CC(=Cc1ccco1)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000848837517 1334928884 /nfs/dbraw/zinc/92/88/84/1334928884.db2.gz WMHTVFJQUQJTCA-BCRSCGJKSA-N -1 0 330.365 2.868 20 30 EFEDRM N#Cc1ccc(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000848951178 1335005651 /nfs/dbraw/zinc/00/56/51/1335005651.db2.gz XFUDHSUHQCQMLO-UHFFFAOYSA-N -1 0 330.727 2.713 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH][nH]c2=O)nnc1N(C)Cc1ccsc1 ZINC001356453809 1335038342 /nfs/dbraw/zinc/03/83/42/1335038342.db2.gz OFWJALHGPNJSTI-UHFFFAOYSA-N -1 0 330.417 2.648 20 30 EFEDRM CCOC(=O)C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000849170427 1335563307 /nfs/dbraw/zinc/56/33/07/1335563307.db2.gz OWVRLWLTIKPRPU-XAXWUXFESA-N -1 0 334.250 2.603 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CC3)c2F)C(=O)O1 ZINC000849241721 1335575236 /nfs/dbraw/zinc/57/52/36/1335575236.db2.gz LTRYREXNZIXMEQ-SBSDFTTDSA-N -1 0 330.311 2.595 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000849245176 1335576293 /nfs/dbraw/zinc/57/62/93/1335576293.db2.gz FYQBWXIHVHJNQY-GUOLPTJISA-N -1 0 326.352 2.577 20 30 EFEDRM N#Cc1ccc(N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)nc1 ZINC001413896111 1335946437 /nfs/dbraw/zinc/94/64/37/1335946437.db2.gz WRPLGJWWVKHFCJ-CYBMUJFWSA-N -1 0 346.312 2.695 20 30 EFEDRM CCOC(=O)c1sc([N-]C(=O)c2coc(OCC)n2)c(C#N)c1C ZINC001361325184 1335990954 /nfs/dbraw/zinc/99/09/54/1335990954.db2.gz OMANNQYBVRVHDL-UHFFFAOYSA-N -1 0 349.368 2.744 20 30 EFEDRM Cc1csc(NC(=O)c2ccc(S(C)(=O)=O)s2)c1C#N ZINC001361439716 1336082618 /nfs/dbraw/zinc/08/26/18/1336082618.db2.gz HICQRRSRAFIWEH-UHFFFAOYSA-N -1 0 326.424 2.646 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cc1C#N ZINC001361703592 1336283328 /nfs/dbraw/zinc/28/33/28/1336283328.db2.gz XQVMOIOKPXPFOH-SECBINFHSA-N -1 0 341.392 2.956 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1ncc(Br)cc1[O-] ZINC001361792337 1336339030 /nfs/dbraw/zinc/33/90/30/1336339030.db2.gz MDGAETSTUOUEAP-UHFFFAOYSA-N -1 0 346.184 2.694 20 30 EFEDRM CN(C(=O)c1ncc(Br)cc1[O-])c1cccc(C#N)c1 ZINC001361909434 1336411299 /nfs/dbraw/zinc/41/12/99/1336411299.db2.gz QSWSAWIWCVMTLT-UHFFFAOYSA-N -1 0 332.157 2.698 20 30 EFEDRM N#CCCN(C(=O)c1cccc(F)c1[O-])c1ccc2c(c1)OCCO2 ZINC001362025712 1336469820 /nfs/dbraw/zinc/46/98/20/1336469820.db2.gz LIRQSIPRFKUMIR-UHFFFAOYSA-N -1 0 342.326 2.863 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001362060288 1336484501 /nfs/dbraw/zinc/48/45/01/1336484501.db2.gz SJOHSXAXSIBCHL-GFCCVEGCSA-N -1 0 330.363 2.647 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nnn[n-]1 ZINC001362148521 1336525312 /nfs/dbraw/zinc/52/53/12/1336525312.db2.gz DCGJHIPRPHTMDH-LLVKDONJSA-N -1 0 330.417 2.555 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1ncc(Br)cc1[O-] ZINC001362168283 1336535697 /nfs/dbraw/zinc/53/56/97/1336535697.db2.gz QWKYIGORNOXWOS-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1 ZINC001362559571 1336657593 /nfs/dbraw/zinc/65/75/93/1336657593.db2.gz LZTPTRPIYJYBIB-UHFFFAOYSA-N -1 0 347.371 2.630 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(CC(F)(F)F)C2)cc1C#N ZINC001362564172 1336658451 /nfs/dbraw/zinc/65/84/51/1336658451.db2.gz ZBEWRKHYVVFZIS-UHFFFAOYSA-N -1 0 345.346 2.795 20 30 EFEDRM CS(C)(=O)=Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC001362799018 1336746872 /nfs/dbraw/zinc/74/68/72/1336746872.db2.gz YHSZGFZVSSDBHK-UHFFFAOYSA-N -1 0 329.381 2.875 20 30 EFEDRM C=C(Cl)C[NH2+]C[C@@]1(NC(=O)c2ncccc2O)CCCC[C@@H]1C ZINC001373896695 1341193770 /nfs/dbraw/zinc/19/37/70/1341193770.db2.gz LCGAQCLEDRPPDQ-SJCJKPOMSA-N -1 0 337.851 2.808 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1[O-] ZINC001415746785 1371548909 /nfs/dbraw/zinc/54/89/09/1371548909.db2.gz QKQHQFYEBRCXEP-UHFFFAOYSA-N -1 0 328.343 2.692 20 30 EFEDRM CCNC(=O)Nc1cc(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001417662118 1373135556 /nfs/dbraw/zinc/13/55/56/1373135556.db2.gz QADBPZMLJFBLQD-UHFFFAOYSA-N -1 0 342.330 2.797 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(O)cc(Br)c2)cc1[O-] ZINC001417836498 1373315320 /nfs/dbraw/zinc/31/53/20/1373315320.db2.gz BQEYDXXHXUHXDV-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccccc1CC#N ZINC001448216985 1392024384 /nfs/dbraw/zinc/02/43/84/1392024384.db2.gz HOYVKEFLTJGGHC-UHFFFAOYSA-N -1 0 333.351 2.804 20 30 EFEDRM Cc1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Br ZINC001457326795 1395067003 /nfs/dbraw/zinc/06/70/03/1395067003.db2.gz NBHNTGWHLYLMKP-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001471868460 1397217690 /nfs/dbraw/zinc/21/76/90/1397217690.db2.gz MQXRKJWUYNZJET-RZFZLAGVSA-N -1 0 342.420 2.552 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC12CCCC2 ZINC000819743135 1428249318 /nfs/dbraw/zinc/24/93/18/1428249318.db2.gz DDUYLVHNXFGLQG-MRXNPFEDSA-N -1 0 337.427 2.962 20 30 EFEDRM CCN(CC#N)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825394822 1428294743 /nfs/dbraw/zinc/29/47/43/1428294743.db2.gz HXXNUVCCGOKZCD-UHFFFAOYSA-N -1 0 348.410 2.791 20 30 EFEDRM C=CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000735409816 1428329348 /nfs/dbraw/zinc/32/93/48/1428329348.db2.gz LXOFQIRFUXVIHY-KBOKABMXSA-N -1 0 346.394 2.709 20 30 EFEDRM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1O ZINC000821703281 1428689352 /nfs/dbraw/zinc/68/93/52/1428689352.db2.gz XVJBNPBWSIZUGC-HWKANZROSA-N -1 0 328.353 2.539 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894934 1428712302 /nfs/dbraw/zinc/71/23/02/1428712302.db2.gz ZTEUUVIINWJLIO-STQMWFEESA-N -1 0 328.420 2.972 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@@H]2c2cnn(C)c2)cccc1C(=O)[O-] ZINC001552453409 1414457012 /nfs/dbraw/zinc/45/70/12/1414457012.db2.gz LMYYQSIUXDFBHP-DYVFJYSZSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1ccnc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552454422 1414457233 /nfs/dbraw/zinc/45/72/33/1414457233.db2.gz OHNQGYTWLATMJM-RHSMWYFYSA-N -1 0 342.399 2.613 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552760247 1414550385 /nfs/dbraw/zinc/55/03/85/1414550385.db2.gz NZDNMZPZRFLLQE-ZFWWWQNUSA-N -1 0 328.372 2.777 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735505882 1428855941 /nfs/dbraw/zinc/85/59/41/1428855941.db2.gz WYZZLJZKOPEIRU-LJQANCHMSA-N -1 0 346.394 2.512 20 30 EFEDRM CSc1ccccc1CC(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000826231091 1428861361 /nfs/dbraw/zinc/86/13/61/1428861361.db2.gz WYHCTWZDKJJRMZ-UHFFFAOYSA-N -1 0 343.416 2.916 20 30 EFEDRM CC(=O)c1ccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1O ZINC001559046419 1415220633 /nfs/dbraw/zinc/22/06/33/1415220633.db2.gz GALBDPUCGJIAOF-UHFFFAOYSA-N -1 0 347.334 2.504 20 30 EFEDRM CCOc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(F)cc1 ZINC000821412471 1428914978 /nfs/dbraw/zinc/91/49/78/1428914978.db2.gz LWUOILVXNHYTHZ-UHFFFAOYSA-N -1 0 337.358 2.868 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@@H]1C ZINC000823909457 1428996404 /nfs/dbraw/zinc/99/64/04/1428996404.db2.gz FFYGUYULFQIATK-BBRMVZONSA-N -1 0 325.416 2.818 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccsc1C#N ZINC001567974979 1416348462 /nfs/dbraw/zinc/34/84/62/1416348462.db2.gz HZIGCJNQBXRIDU-UHFFFAOYSA-N -1 0 325.353 2.671 20 30 EFEDRM Cc1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822091111 1429235541 /nfs/dbraw/zinc/23/55/41/1429235541.db2.gz OFWPBUJQGUBYLA-GFCCVEGCSA-N -1 0 347.382 2.930 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000159779336 1418286330 /nfs/dbraw/zinc/28/63/30/1418286330.db2.gz NVYMSANJCMPYJV-JOYOIKCWSA-N -1 0 341.205 2.839 20 30 EFEDRM Cn1cc(C=NOC2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360797 1429251730 /nfs/dbraw/zinc/25/17/30/1429251730.db2.gz YLUXTSPZJCHVBO-UHFFFAOYSA-N -1 0 337.387 2.560 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)cc2F)o1 ZINC000735451047 1429298523 /nfs/dbraw/zinc/29/85/23/1429298523.db2.gz NOCOVDOQOYPMAD-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735448521 1429441508 /nfs/dbraw/zinc/44/15/08/1429441508.db2.gz SATXFVZGYMPKMN-FMIVXFBMSA-N -1 0 330.351 2.780 20 30 EFEDRM C(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819718939 1429520146 /nfs/dbraw/zinc/52/01/46/1429520146.db2.gz VHFSOIGYBKHGHZ-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824929480 1423270424 /nfs/dbraw/zinc/27/04/24/1423270424.db2.gz XWOWDIQUFBOGQU-QLJPJBMISA-N -1 0 344.806 2.722 20 30 EFEDRM N#CCOc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826381965 1429645544 /nfs/dbraw/zinc/64/55/44/1429645544.db2.gz HWVYTZARZPGBJC-UHFFFAOYSA-N -1 0 342.309 2.659 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3sccc3-c3nnn[n-]3)cc2)CC1 ZINC000826379888 1423608169 /nfs/dbraw/zinc/60/81/69/1423608169.db2.gz GCZSMDMGXBGSOG-UHFFFAOYSA-N -1 0 336.380 2.736 20 30 EFEDRM CCCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821133805 1423615385 /nfs/dbraw/zinc/61/53/85/1423615385.db2.gz FKTDQXJOZOQBSU-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C#N)cc1Cl ZINC000826250234 1429663944 /nfs/dbraw/zinc/66/39/44/1429663944.db2.gz QPHIHZANZHASAP-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822822763 1423918501 /nfs/dbraw/zinc/91/85/01/1423918501.db2.gz DWSKXRRLRGZPGY-GUYCJALGSA-N -1 0 344.378 2.556 20 30 EFEDRM N#Cc1cccc(OCCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826387053 1423954246 /nfs/dbraw/zinc/95/42/46/1423954246.db2.gz DPTDHZMJECPKIT-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823958622 1424122635 /nfs/dbraw/zinc/12/26/35/1424122635.db2.gz TVJDFASHLWZVSF-UHFFFAOYSA-N -1 0 338.762 2.623 20 30 EFEDRM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737589219 1424308812 /nfs/dbraw/zinc/30/88/12/1424308812.db2.gz AWGRTYWXHRDKSC-WAYWQWQTSA-N -1 0 349.181 2.803 20 30 EFEDRM O=C(Nc1nnn[n-]1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000025436647 1424382355 /nfs/dbraw/zinc/38/23/55/1424382355.db2.gz RKKRDXMJKWRJGQ-UHFFFAOYSA-N -1 0 337.368 2.750 20 30 EFEDRM COc1ccc(O)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837365 1424683824 /nfs/dbraw/zinc/68/38/24/1424683824.db2.gz CUKJLXJSIBQCTN-HWKANZROSA-N -1 0 328.353 2.539 20 30 EFEDRM CCOc1ccc(O)c(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736648062 1424851524 /nfs/dbraw/zinc/85/15/24/1424851524.db2.gz XGMAECGNAOPVCO-GRSHGNNSSA-N -1 0 341.346 2.729 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822806770 1429764367 /nfs/dbraw/zinc/76/43/67/1429764367.db2.gz SYDAEKSQQOEJIN-UHFFFAOYSA-N -1 0 345.794 2.678 20 30 EFEDRM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H]2CCCO[C@H]21 ZINC000824784704 1425004396 /nfs/dbraw/zinc/00/43/96/1425004396.db2.gz ZOKSCVPQMGLAGC-NOZJJQNGSA-N -1 0 347.810 2.518 20 30 EFEDRM Clc1ccccc1NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737583982 1425044776 /nfs/dbraw/zinc/04/47/76/1425044776.db2.gz PDKGQPFGTJQIAT-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)n2c1 ZINC000822280609 1425052636 /nfs/dbraw/zinc/05/26/36/1425052636.db2.gz TWWKLJBMFCCFMJ-BQYQJAHWSA-N -1 0 330.351 2.719 20 30 EFEDRM Cc1nc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000823958850 1425064631 /nfs/dbraw/zinc/06/46/31/1425064631.db2.gz ZCLZYCBHURNMFG-UHFFFAOYSA-N -1 0 348.823 2.825 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822826047 1425208318 /nfs/dbraw/zinc/20/83/18/1425208318.db2.gz SSMCIJUEHCUOLB-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C#N)c1 ZINC000820512302 1425281393 /nfs/dbraw/zinc/28/13/93/1425281393.db2.gz JIXKOUSFAMLOEB-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826333924 1425290702 /nfs/dbraw/zinc/29/07/02/1425290702.db2.gz ZQPKGOSCLSQKPR-AATRIKPKSA-N -1 0 346.753 2.597 20 30 EFEDRM Cc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)c(C#N)c1C ZINC000826337540 1425291536 /nfs/dbraw/zinc/29/15/36/1425291536.db2.gz RYWNFCHGDYIWNV-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(C#N)ccc2n1 ZINC000825961923 1425316218 /nfs/dbraw/zinc/31/62/18/1425316218.db2.gz PFEXKEKALBOHND-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM C[C@@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736118058 1425384748 /nfs/dbraw/zinc/38/47/48/1425384748.db2.gz RVMARWAIJAISJY-SECBINFHSA-N -1 0 339.384 2.683 20 30 EFEDRM C#Cc1cccc(NC(=S)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390677 1425421199 /nfs/dbraw/zinc/42/11/99/1425421199.db2.gz BLEQWFXUCODOPQ-UHFFFAOYSA-N -1 0 348.435 2.677 20 30 EFEDRM N#Cc1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000737708210 1425546606 /nfs/dbraw/zinc/54/66/06/1425546606.db2.gz BLCBRUJHRCMIPW-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM C=C[C@@H](CC)OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000823883661 1425955433 /nfs/dbraw/zinc/95/54/33/1425955433.db2.gz WXLJABVBFBFUHS-ZDUSSCGKSA-N -1 0 346.387 2.542 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc3ncccc32)cc1-c1nnn[n-]1 ZINC000737718311 1426052572 /nfs/dbraw/zinc/05/25/72/1426052572.db2.gz HJMMMOZIQJAQFA-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM Cc1ccccc1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000822362448 1426055463 /nfs/dbraw/zinc/05/54/63/1426055463.db2.gz UCGPMKLEIYSGLP-UHFFFAOYSA-N -1 0 349.423 2.903 20 30 EFEDRM COC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826148166 1426075786 /nfs/dbraw/zinc/07/57/86/1426075786.db2.gz AUUUJVNSSNIYBP-QMMMGPOBSA-N -1 0 342.325 2.956 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000737306970 1426229819 /nfs/dbraw/zinc/22/98/19/1426229819.db2.gz FGOXXVYNUVKWAX-PLNGDYQASA-N -1 0 336.380 2.780 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735505021 1426507868 /nfs/dbraw/zinc/50/78/68/1426507868.db2.gz REPCGDFCOXFKGG-GFCCVEGCSA-N -1 0 348.366 2.544 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737698143 1426514447 /nfs/dbraw/zinc/51/44/47/1426514447.db2.gz UCNUHTUQHJILAN-BQYQJAHWSA-N -1 0 331.335 2.665 20 30 EFEDRM N#Cc1nc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC000822846371 1426519411 /nfs/dbraw/zinc/51/94/11/1426519411.db2.gz YVOKHXUUSXONBE-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000736733184 1426558511 /nfs/dbraw/zinc/55/85/11/1426558511.db2.gz PMNNWZGGRLINQK-CLFYSBASSA-N -1 0 348.341 2.554 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(F)cc1C#N ZINC000736625916 1426574691 /nfs/dbraw/zinc/57/46/91/1426574691.db2.gz GQALCTYGBIXLHP-UHFFFAOYSA-N -1 0 339.330 2.855 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820174630 1426620851 /nfs/dbraw/zinc/62/08/51/1426620851.db2.gz UREAPJJUZZBMDX-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM Cc1ccc(F)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826289494 1426722338 /nfs/dbraw/zinc/72/23/38/1426722338.db2.gz CMYLAMSUVJJNKH-UHFFFAOYSA-N -1 0 329.339 2.872 20 30 EFEDRM N#Cc1cc2c(nc1NCc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000826384541 1426726504 /nfs/dbraw/zinc/72/65/04/1426726504.db2.gz ZJSUUTUQDNPCPH-UHFFFAOYSA-N -1 0 331.383 2.624 20 30 EFEDRM C=CCc1cc(CNc2cccc(-c3nn[n-]n3)c2)cc(OC)c1O ZINC000823937275 1426748820 /nfs/dbraw/zinc/74/88/20/1426748820.db2.gz POKRYRQFAOMKKN-UHFFFAOYSA-N -1 0 337.383 2.922 20 30 EFEDRM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000819759320 1426763066 /nfs/dbraw/zinc/76/30/66/1426763066.db2.gz UGBUSYGRKVEMBM-UHFFFAOYSA-N -1 0 347.444 2.728 20 30 EFEDRM CC(CCCCO)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824402421 1426834163 /nfs/dbraw/zinc/83/41/63/1426834163.db2.gz WLMOLMCPZPWPEC-UHFFFAOYSA-N -1 0 342.325 2.836 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735803936 1426843935 /nfs/dbraw/zinc/84/39/35/1426843935.db2.gz MKFASDYTUMCCST-UHFFFAOYSA-N -1 0 340.431 2.588 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000822800990 1426846839 /nfs/dbraw/zinc/84/68/39/1426846839.db2.gz CWEGVFJHDPZEFU-JTQLQIEISA-N -1 0 344.787 2.576 20 30 EFEDRM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)c(F)c1 ZINC000824611562 1426891749 /nfs/dbraw/zinc/89/17/49/1426891749.db2.gz BFSFDFIPNSPTBM-JTQLQIEISA-N -1 0 340.337 2.867 20 30 EFEDRM N#Cc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826387231 1426952730 /nfs/dbraw/zinc/95/27/30/1426952730.db2.gz LGYWUKHFDRHYEE-ZROIWOOFSA-N -1 0 327.347 2.951 20 30 EFEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2cc1C#N ZINC000821609849 1427037076 /nfs/dbraw/zinc/03/70/76/1427037076.db2.gz ORZRCNGAXAYXJD-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncccc1CC ZINC000823914141 1427086746 /nfs/dbraw/zinc/08/67/46/1427086746.db2.gz BJJHGINNCDRPEW-UHFFFAOYSA-N -1 0 348.410 2.653 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000735451380 1427102059 /nfs/dbraw/zinc/10/20/59/1427102059.db2.gz ZCAPMOOOCNONHH-UHFFFAOYSA-N -1 0 329.367 2.673 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823893868 1427158511 /nfs/dbraw/zinc/15/85/11/1427158511.db2.gz AFNIVFNOIWQCBZ-LLVKDONJSA-N -1 0 332.383 2.550 20 30 EFEDRM N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716312 1427167916 /nfs/dbraw/zinc/16/79/16/1427167916.db2.gz PAKRADMEBQLYMW-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM Cc1ncsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000822481737 1427259742 /nfs/dbraw/zinc/25/97/42/1427259742.db2.gz DFMVOYJQLOGLHN-WAYWQWQTSA-N -1 0 340.412 2.584 20 30 EFEDRM N#Cc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822833241 1427275564 /nfs/dbraw/zinc/27/55/64/1427275564.db2.gz MPDVULAZWPFVFB-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM N#CCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826381480 1427304885 /nfs/dbraw/zinc/30/48/85/1427304885.db2.gz NJLSNRDQRUPYMC-UHFFFAOYSA-N -1 0 348.366 2.693 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825875228 1427305362 /nfs/dbraw/zinc/30/53/62/1427305362.db2.gz GJIURQJEXOQVED-ONNFQVAWSA-N -1 0 337.358 2.968 20 30 EFEDRM CCC(Cc1ccc(C)cc1)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736352285 1427444672 /nfs/dbraw/zinc/44/46/72/1427444672.db2.gz KFHUSDFKRDWDMS-UHFFFAOYSA-N -1 0 325.376 2.892 20 30 EFEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1O ZINC000819772880 1427516138 /nfs/dbraw/zinc/51/61/38/1427516138.db2.gz MDCYBZSKIVXPEO-UHFFFAOYSA-N -1 0 330.298 2.687 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821669099 1427554397 /nfs/dbraw/zinc/55/43/97/1427554397.db2.gz XRTYWAPVIMEFQR-SOFGYWHQSA-N -1 0 340.364 2.611 20 30 EFEDRM CC(=NNc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000735450917 1427597210 /nfs/dbraw/zinc/59/72/10/1427597210.db2.gz JVRMOPLDDYWWOX-UHFFFAOYSA-N -1 0 330.355 2.646 20 30 EFEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826402828 1427602134 /nfs/dbraw/zinc/60/21/34/1427602134.db2.gz CWWRRVVHIODHSA-AATRIKPKSA-N -1 0 327.325 2.733 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc3ncccc3c2)ccc1-c1nnn[n-]1 ZINC000737707680 1427604880 /nfs/dbraw/zinc/60/48/80/1427604880.db2.gz BDDWRISQIDJOHF-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM N#Cc1cccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737731085 1427605013 /nfs/dbraw/zinc/60/50/13/1427605013.db2.gz YDOMHVGLZSUJLS-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM C#CCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819702290 1427790715 /nfs/dbraw/zinc/79/07/15/1427790715.db2.gz XIWAUWQGHYCRFC-UHFFFAOYSA-N -1 0 336.376 2.808 20 30 EFEDRM CCCC(Cc1ccccc1)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736427659 1427876967 /nfs/dbraw/zinc/87/69/67/1427876967.db2.gz ZDXMWZSCYBDXNM-UHFFFAOYSA-N -1 0 325.376 2.974 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737373266 1427920474 /nfs/dbraw/zinc/92/04/74/1427920474.db2.gz RUKBEQKTSRXHKT-SOFGYWHQSA-N -1 0 335.323 2.979 20 30 EFEDRM C[C@H]1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000824925206 1427922530 /nfs/dbraw/zinc/92/25/30/1427922530.db2.gz BOAGXUDINQDJQY-VHSXEESVSA-N -1 0 329.433 2.634 20 30 EFEDRM N#Cc1cc(F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000822818915 1427952033 /nfs/dbraw/zinc/95/20/33/1427952033.db2.gz IPYWNVMHVTYZGO-UHFFFAOYSA-N -1 0 330.273 2.768 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820380100 1427998454 /nfs/dbraw/zinc/99/84/54/1427998454.db2.gz LFOCKDXKZJHOHF-LLVKDONJSA-N -1 0 333.355 2.621 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000822811297 1428034455 /nfs/dbraw/zinc/03/44/55/1428034455.db2.gz UZOYNFFZSBJRTB-UHFFFAOYSA-N -1 0 326.335 2.515 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825481363 1428094268 /nfs/dbraw/zinc/09/42/68/1428094268.db2.gz XZSWJBWNSZTUPN-UHFFFAOYSA-N -1 0 337.362 2.921 20 30 EFEDRM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000737391146 1428174135 /nfs/dbraw/zinc/17/41/35/1428174135.db2.gz ZALJNRMAFVZMJG-UHFFFAOYSA-N -1 0 344.378 2.717 20 30 EFEDRM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962094 1429852754 /nfs/dbraw/zinc/85/27/54/1429852754.db2.gz DTZSJJVAMKWHEY-UHFFFAOYSA-N -1 0 348.345 2.785 20 30 EFEDRM N#C[C@H](C(=O)c1sccc1-c1nnn[n-]1)c1ccc2ccccc2n1 ZINC000737673880 1430047873 /nfs/dbraw/zinc/04/78/73/1430047873.db2.gz SFISMNFMYCSNCY-LBPRGKRZSA-N -1 0 346.375 2.966 20 30 EFEDRM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958333 1430069961 /nfs/dbraw/zinc/06/99/61/1430069961.db2.gz JSQILVFZFSIBDP-UHFFFAOYSA-N -1 0 336.334 2.718 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(F)cc1 ZINC000826184748 1430115672 /nfs/dbraw/zinc/11/56/72/1430115672.db2.gz JDKNRKLFHVDKKX-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1OCCCOc1cccc(C#N)c1 ZINC000822136170 1430122572 /nfs/dbraw/zinc/12/25/72/1430122572.db2.gz JJASCCBBOSHMAL-UHFFFAOYSA-N -1 0 335.367 2.895 20 30 EFEDRM C[C@@H](Nc1cc(C#N)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137169 1430167714 /nfs/dbraw/zinc/16/77/14/1430167714.db2.gz IOLMYTUJWIOSKS-GFCCVEGCSA-N -1 0 341.378 2.882 20 30 EFEDRM CCCn1nc(C)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821149296 1430167986 /nfs/dbraw/zinc/16/79/86/1430167986.db2.gz VARODMVCZSPLAA-CMDGGOBGSA-N -1 0 336.399 2.986 20 30 EFEDRM N#CC1(c2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380955 1430172917 /nfs/dbraw/zinc/17/29/17/1430172917.db2.gz RUWDCJJYRCQBOP-UHFFFAOYSA-N -1 0 345.362 2.779 20 30 EFEDRM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)o1 ZINC000821477084 1441418541 /nfs/dbraw/zinc/41/85/41/1441418541.db2.gz XQERDNLZUJFDFF-XQRVVYSFSA-N -1 0 334.339 2.566 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820892539 1441440545 /nfs/dbraw/zinc/44/05/45/1441440545.db2.gz BFZHIMJZVRAPFO-UHFFFAOYSA-N -1 0 340.431 2.588 20 30 EFEDRM CCCCS[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736463427 1441484801 /nfs/dbraw/zinc/48/48/01/1441484801.db2.gz PJRYDWZFWMTIBE-SNVBAGLBSA-N -1 0 330.417 2.599 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000826178962 1441497888 /nfs/dbraw/zinc/49/78/88/1441497888.db2.gz SDYMSGSUGJWKIC-QHHAFSJGSA-N -1 0 340.314 2.616 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000821770822 1441507303 /nfs/dbraw/zinc/50/73/03/1441507303.db2.gz XSRDGRGLBQBGDK-UTCJRWHESA-N -1 0 330.344 2.972 20 30 EFEDRM C=CCCCCCN(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735408161 1441555636 /nfs/dbraw/zinc/55/56/36/1441555636.db2.gz GTZJHBHANNLSKA-UHFFFAOYSA-N -1 0 334.449 2.545 20 30 EFEDRM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826191001 1441624990 /nfs/dbraw/zinc/62/49/90/1441624990.db2.gz UDNGYLWPJXAVMQ-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737082771 1441629574 /nfs/dbraw/zinc/62/95/74/1441629574.db2.gz JVWXNIWDVKPUHM-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000821786446 1441630734 /nfs/dbraw/zinc/63/07/34/1441630734.db2.gz DMCZRZVSHOZWHX-UHFFFAOYSA-N -1 0 347.404 2.569 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823872855 1441675500 /nfs/dbraw/zinc/67/55/00/1441675500.db2.gz FGKRLSBBJMMGMS-UHFFFAOYSA-N -1 0 330.392 2.694 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1CN(CCC#N)CCC(C)C ZINC000826181692 1441677662 /nfs/dbraw/zinc/67/76/62/1441677662.db2.gz KIHSAGFNOXIEFU-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403071 1441687312 /nfs/dbraw/zinc/68/73/12/1441687312.db2.gz JDQUKOQDHGNZEA-ALCCZGGFSA-N -1 0 334.314 2.550 20 30 EFEDRM CCOc1cc(C#N)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736627610 1441713645 /nfs/dbraw/zinc/71/36/45/1441713645.db2.gz NRFLRIVSYPWITB-UHFFFAOYSA-N -1 0 339.330 2.855 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735388301 1441752252 /nfs/dbraw/zinc/75/22/52/1441752252.db2.gz XGRPCOQZPWMFJA-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM C#CCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819697897 1441758997 /nfs/dbraw/zinc/75/89/97/1441758997.db2.gz NZSOULKVPCWQJD-UHFFFAOYSA-N -1 0 349.419 2.771 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874852 1441784925 /nfs/dbraw/zinc/78/49/25/1441784925.db2.gz ZRAFESIOYJVHFJ-CYBMUJFWSA-N -1 0 335.795 2.830 20 30 EFEDRM C=CCC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894891 1441841173 /nfs/dbraw/zinc/84/11/73/1441841173.db2.gz ZDVZRWKRNGDEEN-LRDDRELGSA-N -1 0 342.399 2.922 20 30 EFEDRM C=CC1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402493 1441891731 /nfs/dbraw/zinc/89/17/31/1441891731.db2.gz CHCCVODONCVEME-UHFFFAOYSA-N -1 0 343.456 2.525 20 30 EFEDRM N#Cc1cc(NC(=O)c2coc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737710027 1441913458 /nfs/dbraw/zinc/91/34/58/1441913458.db2.gz QDTAUWCDBBDZOV-UHFFFAOYSA-N -1 0 330.307 2.737 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1NCC#Cc1cccc(Cl)c1 ZINC000821766420 1441944089 /nfs/dbraw/zinc/94/40/89/1441944089.db2.gz WOKFGANABSNZDI-UHFFFAOYSA-N -1 0 339.786 2.992 20 30 EFEDRM C=C(C)[C@@H]1CC=C(COC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000819722809 1441983688 /nfs/dbraw/zinc/98/36/88/1441983688.db2.gz RGBXSDBUWZLRAW-CYBMUJFWSA-N -1 0 327.388 2.665 20 30 EFEDRM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1Cl ZINC000826296491 1442004471 /nfs/dbraw/zinc/00/44/71/1442004471.db2.gz ZAARWKUXKNWFEV-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1Cc2ccccc21 ZINC000735419715 1442071843 /nfs/dbraw/zinc/07/18/43/1442071843.db2.gz ZCQILXWPQYCWRE-SFHVURJKSA-N -1 0 345.406 2.721 20 30 EFEDRM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819729652 1442194597 /nfs/dbraw/zinc/19/45/97/1442194597.db2.gz KAIHWVWZSOMWMG-QMMMGPOBSA-N -1 0 340.309 2.972 20 30 EFEDRM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000825806789 1442262344 /nfs/dbraw/zinc/26/23/44/1442262344.db2.gz DZAPBXPJVBFFLJ-WAYWQWQTSA-N -1 0 328.401 2.658 20 30 EFEDRM C=CCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823894090 1442296327 /nfs/dbraw/zinc/29/63/27/1442296327.db2.gz HGANTUAGMNSWJY-UHFFFAOYSA-N -1 0 337.177 2.639 20 30 EFEDRM CCc1nnc(Oc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c1CC ZINC000821548414 1442306723 /nfs/dbraw/zinc/30/67/23/1442306723.db2.gz LZWWHLUASQZZIG-UHFFFAOYSA-N -1 0 339.334 2.585 20 30 EFEDRM CC(=O)Nc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824000009 1442451499 /nfs/dbraw/zinc/45/14/99/1442451499.db2.gz QPOPYDYCOIYQHY-UHFFFAOYSA-N -1 0 335.371 2.661 20 30 EFEDRM O=C(OCC#Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826463277 1442465081 /nfs/dbraw/zinc/46/50/81/1442465081.db2.gz YLGLWYQOUPNGEC-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM CN1CCc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826045243 1442488624 /nfs/dbraw/zinc/48/86/24/1442488624.db2.gz SLFRKOPAERWPQX-SOFGYWHQSA-N -1 0 331.379 2.755 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735399974 1443065566 /nfs/dbraw/zinc/06/55/66/1443065566.db2.gz YHMSXRKLJWETCK-LLVKDONJSA-N -1 0 349.435 2.911 20 30 EFEDRM Fc1ccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737647443 1443097547 /nfs/dbraw/zinc/09/75/47/1443097547.db2.gz DLBBCMDIVNVIJG-UHFFFAOYSA-N -1 0 341.346 2.825 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000826190946 1443186780 /nfs/dbraw/zinc/18/67/80/1443186780.db2.gz RNEUOCGATGYVPT-DUXPYHPUSA-N -1 0 337.364 2.705 20 30 EFEDRM Cc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000822275016 1443205122 /nfs/dbraw/zinc/20/51/22/1443205122.db2.gz NGUDXMINSFUGTG-UHFFFAOYSA-N -1 0 348.410 2.842 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC000826400528 1443242252 /nfs/dbraw/zinc/24/22/52/1443242252.db2.gz AWEZYZSQTBBTOA-DJWKRKHSSA-N -1 0 336.326 2.837 20 30 EFEDRM COCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000737016219 1443259544 /nfs/dbraw/zinc/25/95/44/1443259544.db2.gz AALSEZRTMVRRIY-UHFFFAOYSA-N -1 0 341.375 2.571 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1COc1c(C)cc(C#N)cc1C ZINC000826184948 1443318909 /nfs/dbraw/zinc/31/89/09/1443318909.db2.gz RKTIAYYHNLAYMB-UHFFFAOYSA-N -1 0 335.367 2.943 20 30 EFEDRM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820404276 1443329373 /nfs/dbraw/zinc/32/93/73/1443329373.db2.gz RLUXFUTZKMDHDR-NSHDSACASA-N -1 0 349.423 2.786 20 30 EFEDRM C=CCCCN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735412914 1443383406 /nfs/dbraw/zinc/38/34/06/1443383406.db2.gz MTKXSOBCVSJXBP-UHFFFAOYSA-N -1 0 331.445 2.525 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1Cl ZINC000826383903 1443498095 /nfs/dbraw/zinc/49/80/95/1443498095.db2.gz WSFQOZOHRDMHKM-UHFFFAOYSA-N -1 0 349.741 2.516 20 30 EFEDRM C#CCOc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735387579 1443501136 /nfs/dbraw/zinc/50/11/36/1443501136.db2.gz AGTULOXTFHSHHX-UHFFFAOYSA-N -1 0 346.803 2.601 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCCS1 ZINC000823910198 1443515468 /nfs/dbraw/zinc/51/54/68/1443515468.db2.gz YSZIWDCKHVLVKX-OAHLLOKOSA-N -1 0 343.456 2.667 20 30 EFEDRM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1O ZINC000826191182 1443550178 /nfs/dbraw/zinc/55/01/78/1443550178.db2.gz ZLICDIPAKCNLAC-UHFFFAOYSA-N -1 0 344.762 2.680 20 30 EFEDRM N#Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(F)c1 ZINC000822826422 1443573105 /nfs/dbraw/zinc/57/31/05/1443573105.db2.gz XMEBXLQVMYECKW-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM C=CCCOCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000823898767 1443596335 /nfs/dbraw/zinc/59/63/35/1443596335.db2.gz AIKDVGWWNBZRBY-UHFFFAOYSA-N -1 0 346.341 2.698 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819740277 1443656828 /nfs/dbraw/zinc/65/68/28/1443656828.db2.gz XBSSHOYKJNTZLM-GFCCVEGCSA-N -1 0 329.429 2.548 20 30 EFEDRM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C#N)C2CCCCC2)n1 ZINC000737472280 1443755409 /nfs/dbraw/zinc/75/54/09/1443755409.db2.gz YMWCXAQKVSHKBE-GFCCVEGCSA-N -1 0 329.433 2.838 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000826190659 1443812829 /nfs/dbraw/zinc/81/28/29/1443812829.db2.gz INLNMLDPZPPQEE-QHHAFSJGSA-N -1 0 349.325 2.782 20 30 EFEDRM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402765 1443858986 /nfs/dbraw/zinc/85/89/86/1443858986.db2.gz BKBXBADLZXASKZ-GQCTYLIASA-N -1 0 329.722 2.950 20 30 EFEDRM N#Cc1cc(F)ccc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826384477 1443903666 /nfs/dbraw/zinc/90/36/66/1443903666.db2.gz WYNUVCQZHVUTNN-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM COc1cc(C)c(C=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708094 1443932016 /nfs/dbraw/zinc/93/20/16/1443932016.db2.gz KFRXHFVDAVZGCL-UHFFFAOYSA-N -1 0 338.371 2.638 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC1CC1 ZINC000735418675 1443968834 /nfs/dbraw/zinc/96/88/34/1443968834.db2.gz IKKXXZSUPKAQCA-UHFFFAOYSA-N -1 0 340.431 2.755 20 30 EFEDRM C#C[C@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823837965 1443969823 /nfs/dbraw/zinc/96/98/23/1443969823.db2.gz JHJZGUAFFCUHOK-MUSGIIIZSA-N -1 0 344.374 2.668 20 30 EFEDRM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000824371621 1443985021 /nfs/dbraw/zinc/98/50/21/1443985021.db2.gz MAESRZXYPFFKND-UTCJRWHESA-N -1 0 326.335 2.679 20 30 EFEDRM COc1ccc(CN(CCC#N)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826194071 1444008232 /nfs/dbraw/zinc/00/82/32/1444008232.db2.gz ZPXXUOJFYJPDDF-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM C=CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894262 1444030958 /nfs/dbraw/zinc/03/09/58/1444030958.db2.gz LPKOIWXKGBMYSK-QWHCGFSZSA-N -1 0 330.388 2.922 20 30 EFEDRM C[C@H](C#N)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034724 1446081292 /nfs/dbraw/zinc/08/12/92/1446081292.db2.gz NVBMEPUOAGOTDB-LLVKDONJSA-N -1 0 335.323 2.728 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000737347875 1446099320 /nfs/dbraw/zinc/09/93/20/1446099320.db2.gz RXNDPDGGQHEFDK-UHFFFAOYSA-N -1 0 338.396 2.797 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822822878 1446214483 /nfs/dbraw/zinc/21/44/83/1446214483.db2.gz GDWGPFXRUVBFCR-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM CC1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824778088 1446417284 /nfs/dbraw/zinc/41/72/84/1446417284.db2.gz NKOVCHFUQXAIGN-UHFFFAOYSA-N -1 0 347.220 2.759 20 30 EFEDRM COc1ccc(C=C2CCOc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083982 1446438251 /nfs/dbraw/zinc/43/82/51/1446438251.db2.gz QOXUBUDCTDZGER-RAXLEYEMSA-N -1 0 348.362 2.924 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724100 1446455626 /nfs/dbraw/zinc/45/56/26/1446455626.db2.gz YQVWWFFCRKAQAD-GFCCVEGCSA-N -1 0 333.351 2.851 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@H]1CCc2ccccc21 ZINC000826383868 1446458137 /nfs/dbraw/zinc/45/81/37/1446458137.db2.gz VDRXLQTUHQPKOQ-LLVKDONJSA-N -1 0 349.423 2.538 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000819718246 1446483658 /nfs/dbraw/zinc/48/36/58/1446483658.db2.gz BTDSRNSTTXUXPC-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM C=CCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735409231 1446540856 /nfs/dbraw/zinc/54/08/56/1446540856.db2.gz VUENZDBUTNNDAC-UHFFFAOYSA-N -1 0 337.387 2.574 20 30 EFEDRM C[C@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736057527 1446552632 /nfs/dbraw/zinc/55/26/32/1446552632.db2.gz WPHGHFLCPWXFFK-SNVBAGLBSA-N -1 0 337.412 2.611 20 30 EFEDRM Fc1ccc(F)c2c1CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826375170 1446577088 /nfs/dbraw/zinc/57/70/88/1446577088.db2.gz BXPABLJHLNTNEP-UHFFFAOYSA-N -1 0 326.310 2.907 20 30 EFEDRM CN(Cc1cccc(C#N)c1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736821261 1446667863 /nfs/dbraw/zinc/66/78/63/1446667863.db2.gz BGLKIOYLNUZHAJ-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM CC(=NNCc1cnc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000819773194 1446679938 /nfs/dbraw/zinc/67/99/38/1446679938.db2.gz RPBFRSNXIUXLFQ-UHFFFAOYSA-N -1 0 343.394 2.929 20 30 EFEDRM C#CCCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823837391 1446726244 /nfs/dbraw/zinc/72/62/44/1446726244.db2.gz CXEWPIOJLXGBOD-UHFFFAOYSA-N -1 0 335.411 2.676 20 30 EFEDRM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C#Cc1ccccc1 ZINC000821118993 1446859927 /nfs/dbraw/zinc/85/99/27/1446859927.db2.gz SSWRGQLSOCRPGT-UHFFFAOYSA-N -1 0 346.394 2.679 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Cl)c(F)c2)o1 ZINC000823963132 1446862130 /nfs/dbraw/zinc/86/21/30/1446862130.db2.gz WDFNCWWOOKKLPX-UHFFFAOYSA-N -1 0 335.730 2.792 20 30 EFEDRM N#Cc1ccc(OCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000822833302 1446863170 /nfs/dbraw/zinc/86/31/70/1446863170.db2.gz NRFFIIQIVXHKMB-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM C=C(CC)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000823877819 1446865943 /nfs/dbraw/zinc/86/59/43/1446865943.db2.gz GVGYXLMFAXFNOX-UHFFFAOYSA-N -1 0 345.428 2.984 20 30 EFEDRM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826510779 1446951083 /nfs/dbraw/zinc/95/10/83/1446951083.db2.gz KFEPOHVPKJWGRS-UHFFFAOYSA-N -1 0 332.726 2.811 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(C)c1F ZINC000826260523 1447102277 /nfs/dbraw/zinc/10/22/77/1447102277.db2.gz SCIKVEPOZMQZKE-UHFFFAOYSA-N -1 0 336.330 2.747 20 30 EFEDRM Cc1cc(C)c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)c1 ZINC000826263352 1447151543 /nfs/dbraw/zinc/15/15/43/1447151543.db2.gz WUJRAWABLPTCBW-UHFFFAOYSA-N -1 0 346.394 2.845 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000826178961 1447251195 /nfs/dbraw/zinc/25/11/95/1447251195.db2.gz SDYMSGSUGJWKIC-KXFIGUGUSA-N -1 0 340.314 2.616 20 30 EFEDRM CC(C)Oc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820178251 1447256852 /nfs/dbraw/zinc/25/68/52/1447256852.db2.gz MQLALVFYNNRGCK-UHFFFAOYSA-N -1 0 336.399 2.778 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826383424 1449051477 /nfs/dbraw/zinc/05/14/77/1449051477.db2.gz ABAIBBWXGHNTLO-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894095 1449079229 /nfs/dbraw/zinc/07/92/29/1449079229.db2.gz HHSYZZANTRTZFA-CYBMUJFWSA-N -1 0 345.472 2.961 20 30 EFEDRM C#CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819702213 1449111281 /nfs/dbraw/zinc/11/12/81/1449111281.db2.gz UDCMXRDSAQTQPJ-UHFFFAOYSA-N -1 0 334.335 2.757 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000821703227 1449136222 /nfs/dbraw/zinc/13/62/22/1449136222.db2.gz VKDBDWGUABMZAF-GQCTYLIASA-N -1 0 340.314 2.616 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399984 1449190994 /nfs/dbraw/zinc/19/09/94/1449190994.db2.gz MBXTUAICTNOKDM-POHAHGRESA-N -1 0 340.289 2.804 20 30 EFEDRM CCO[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821351651 1449357283 /nfs/dbraw/zinc/35/72/83/1449357283.db2.gz UOFVLZDHGMDGNO-MRXNPFEDSA-N -1 0 340.431 2.682 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821668732 1449365545 /nfs/dbraw/zinc/36/55/45/1449365545.db2.gz GHMJVBIBNAZLHO-NYYWCZLTSA-N -1 0 334.335 2.549 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825481334 1449398291 /nfs/dbraw/zinc/39/82/91/1449398291.db2.gz WXHXSRREEJRYAI-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000825806914 1449453583 /nfs/dbraw/zinc/45/35/83/1449453583.db2.gz JYSKRONJJXDCPC-BQYQJAHWSA-N -1 0 340.362 2.735 20 30 EFEDRM Cc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)c1 ZINC000826263055 1449520371 /nfs/dbraw/zinc/52/03/71/1449520371.db2.gz JJLFAEOTGUNWOX-UHFFFAOYSA-N -1 0 332.367 2.916 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823958327 1449690157 /nfs/dbraw/zinc/69/01/57/1449690157.db2.gz JJBKHDVOSLJZTO-UHFFFAOYSA-N -1 0 348.292 2.512 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(F)ccc1C#N ZINC000826251821 1449766482 /nfs/dbraw/zinc/76/64/82/1449766482.db2.gz CCDSEZXHPCGVIN-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080854 1449796112 /nfs/dbraw/zinc/79/61/12/1449796112.db2.gz HYJVJHAGEUVDGO-ONNFQVAWSA-N -1 0 349.394 2.837 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819759277 1449872086 /nfs/dbraw/zinc/87/20/86/1449872086.db2.gz RPTHEQJWNBWPKV-CYBMUJFWSA-N -1 0 349.394 2.923 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@H]1CCC ZINC000819743936 1449920308 /nfs/dbraw/zinc/92/03/08/1449920308.db2.gz TWCGIRHXPYXOEF-HOCLYGCPSA-N -1 0 340.431 2.753 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(C)c2OC(F)F)o1 ZINC000826323039 1449942840 /nfs/dbraw/zinc/94/28/40/1449942840.db2.gz NDMOZPFIHHJRIU-UHFFFAOYSA-N -1 0 349.301 2.519 20 30 EFEDRM N#Cc1cc(Br)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826383824 1449969140 /nfs/dbraw/zinc/96/91/40/1449969140.db2.gz RWGGYQRMEPTFGF-UHFFFAOYSA-N -1 0 343.144 2.688 20 30 EFEDRM CC(C)(C#N)CCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824058910 1450004375 /nfs/dbraw/zinc/00/43/75/1450004375.db2.gz IPYSRLRPIHXJDY-INIZCTEOSA-N -1 0 340.431 2.570 20 30 EFEDRM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1C1CC1 ZINC000735450286 1450064898 /nfs/dbraw/zinc/06/48/98/1450064898.db2.gz YEMMNVJYCRALFW-UHFFFAOYSA-N -1 0 343.391 2.812 20 30 EFEDRM N#Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737715668 1450098432 /nfs/dbraw/zinc/09/84/32/1450098432.db2.gz DFCRMNYHACJBGD-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM Cc1cc(NCCCC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271523 1450105901 /nfs/dbraw/zinc/10/59/01/1450105901.db2.gz VUZZHIMNPFIZIX-UHFFFAOYSA-N -1 0 332.371 2.692 20 30 EFEDRM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737589374 1450118363 /nfs/dbraw/zinc/11/83/63/1450118363.db2.gz DAXHEIZYRFSLSI-SREVYHEPSA-N -1 0 349.181 2.803 20 30 EFEDRM C=CCCCN(C)C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735408076 1450125739 /nfs/dbraw/zinc/12/57/39/1450125739.db2.gz FRVYDHXHJOOMJN-INIZCTEOSA-N -1 0 343.431 2.695 20 30 EFEDRM CCC[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825224834 1450295376 /nfs/dbraw/zinc/29/53/76/1450295376.db2.gz CVYFKIAURDJZFT-ZDUSSCGKSA-N -1 0 346.394 2.956 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737704475 1450330794 /nfs/dbraw/zinc/33/07/94/1450330794.db2.gz JAQLNQRNTSWJJQ-JKSUJKDBSA-N -1 0 348.341 2.620 20 30 EFEDRM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC)OCC ZINC000823873091 1450339122 /nfs/dbraw/zinc/33/91/22/1450339122.db2.gz IBZINJZZRXZPOG-AWEZNQCLSA-N -1 0 346.387 2.542 20 30 EFEDRM Clc1cc(NN=Cc2cccc3nccn32)ccc1-c1nn[n-]n1 ZINC000826351281 1450467622 /nfs/dbraw/zinc/46/76/22/1450467622.db2.gz GRYQTLFGFKPLMB-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400685 1450498475 /nfs/dbraw/zinc/49/84/75/1450498475.db2.gz FDMFEPNCBFELSH-QPJJXVBHSA-N -1 0 339.286 2.810 20 30 EFEDRM CC(C)S(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC000049417809 712904614 /nfs/dbraw/zinc/90/46/14/712904614.db2.gz UDYRPKSJHWYCKA-UHFFFAOYSA-N -1 0 336.207 2.523 20 30 EFEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000049502209 712911284 /nfs/dbraw/zinc/91/12/84/712911284.db2.gz XWXWZHQKFCVHQR-QMMMGPOBSA-N -1 0 339.870 2.641 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)s1 ZINC000049514995 712915223 /nfs/dbraw/zinc/91/52/23/712915223.db2.gz LEFYQHGAMNAEKQ-UHFFFAOYSA-N -1 0 330.818 2.940 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120263651 713040577 /nfs/dbraw/zinc/04/05/77/713040577.db2.gz ZVIQOTRXUIPFBS-LLVKDONJSA-N -1 0 329.356 2.550 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1ccccc1 ZINC000806565407 713293802 /nfs/dbraw/zinc/29/38/02/713293802.db2.gz MNBMHUOXJQWPTD-UHFFFAOYSA-N -1 0 349.383 2.824 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000804837773 713545497 /nfs/dbraw/zinc/54/54/97/713545497.db2.gz ULEGCRMSTRPTPX-UHFFFAOYSA-N -1 0 349.365 2.993 20 30 EFEDRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[N-]S(C)(=O)=O)o1 ZINC000048479693 713789742 /nfs/dbraw/zinc/78/97/42/713789742.db2.gz IBBLEWKEOUVMHY-UHFFFAOYSA-N -1 0 345.380 2.705 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048448723 714117421 /nfs/dbraw/zinc/11/74/21/714117421.db2.gz VTJVEQBTKZEPIR-NSHDSACASA-N -1 0 325.411 2.999 20 30 EFEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1C ZINC000048532705 714119167 /nfs/dbraw/zinc/11/91/67/714119167.db2.gz RHKMZZZRSIKBGT-UHFFFAOYSA-N -1 0 334.397 2.813 20 30 EFEDRM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C2 ZINC000050204496 714193496 /nfs/dbraw/zinc/19/34/96/714193496.db2.gz OMEJKLAMTMMZDF-ZDUSSCGKSA-N -1 0 347.392 2.592 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(C)cc2C)o1 ZINC000121413730 714695102 /nfs/dbraw/zinc/69/51/02/714695102.db2.gz FDDONMVKKVCAQZ-CQSZACIVSA-N -1 0 326.352 2.544 20 30 EFEDRM COc1ccc2oc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)cc2c1 ZINC000255364587 714736957 /nfs/dbraw/zinc/73/69/57/714736957.db2.gz BOQRPNMBQJUFHQ-IVZVJUQRSA-N -1 0 326.304 2.670 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCc2nccs2)c1 ZINC000066003229 718023184 /nfs/dbraw/zinc/02/31/84/718023184.db2.gz CQAOGJRDJSHEMI-UHFFFAOYSA-N -1 0 338.410 2.624 20 30 EFEDRM CC(C)Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1C1CC1 ZINC000091815181 715095988 /nfs/dbraw/zinc/09/59/88/715095988.db2.gz JPMSXWDUBUTSFO-UHFFFAOYSA-N -1 0 348.428 2.505 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccc3c(c2)OCCO3)c1 ZINC000255421402 715191684 /nfs/dbraw/zinc/19/16/84/715191684.db2.gz FHQKZLMKSQYGBO-WQRHYEAKSA-N -1 0 328.324 2.733 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1Br ZINC000178475524 715206078 /nfs/dbraw/zinc/20/60/78/715206078.db2.gz CZRWZAFXWJVPAH-LLVKDONJSA-N -1 0 346.184 2.696 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1OC(C)C ZINC000119714062 715271583 /nfs/dbraw/zinc/27/15/83/715271583.db2.gz YEMKANXZHQOXTB-HNNXBMFYSA-N -1 0 344.411 2.864 20 30 EFEDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000075027904 715290126 /nfs/dbraw/zinc/29/01/26/715290126.db2.gz BCGGINIMGSSGIN-AWEZNQCLSA-N -1 0 340.445 2.779 20 30 EFEDRM Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000124522676 715431941 /nfs/dbraw/zinc/43/19/41/715431941.db2.gz KLRINLJKQKXXCE-AWEZNQCLSA-N -1 0 342.420 2.616 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000124588568 715453094 /nfs/dbraw/zinc/45/30/94/715453094.db2.gz XKFJJMULGFNROK-CYBMUJFWSA-N -1 0 343.383 2.894 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OCC ZINC000124706810 715462329 /nfs/dbraw/zinc/46/23/29/715462329.db2.gz LRXYYODBISTHIK-HNNXBMFYSA-N -1 0 344.411 2.819 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1 ZINC000124726845 715463661 /nfs/dbraw/zinc/46/36/61/715463661.db2.gz YOIVIUIOXZBEGS-SNVBAGLBSA-N -1 0 328.821 2.707 20 30 EFEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000075040216 715469095 /nfs/dbraw/zinc/46/90/95/715469095.db2.gz BMGXPYMIFJOOBV-UHFFFAOYSA-N -1 0 337.372 2.974 20 30 EFEDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000102120787 715795022 /nfs/dbraw/zinc/79/50/22/715795022.db2.gz GXILPHBWKDEVGS-OCCSQVGLSA-N -1 0 341.415 2.558 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136619748 715805601 /nfs/dbraw/zinc/80/56/01/715805601.db2.gz LWAWMXAIPRABLC-QGZVFWFLSA-N -1 0 347.374 2.564 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)C(=O)[N-]OCc2ccccc2)c1 ZINC000067532621 724424422 /nfs/dbraw/zinc/42/44/22/724424422.db2.gz OHPWXROFDTZHKO-UHFFFAOYSA-N -1 0 340.379 2.828 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121451809 724439873 /nfs/dbraw/zinc/43/98/73/724439873.db2.gz SJVUKVGDJPIFSS-KRWDZBQOSA-N -1 0 326.396 2.857 20 30 EFEDRM CCC[C@@H](C#N)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161838259 716266544 /nfs/dbraw/zinc/26/65/44/716266544.db2.gz AZZUMAABOKGEDM-VIFPVBQESA-N -1 0 335.198 2.559 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2=CCCCCC2)cc1Cl ZINC000125640195 716303681 /nfs/dbraw/zinc/30/36/81/716303681.db2.gz RBLHBTGGTFKLAV-UHFFFAOYSA-N -1 0 338.816 2.907 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000125642794 716384017 /nfs/dbraw/zinc/38/40/17/716384017.db2.gz DYACCJLOQQDGIT-NSHDSACASA-N -1 0 348.811 2.820 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000157973794 716395936 /nfs/dbraw/zinc/39/59/36/716395936.db2.gz YRWUFJPXCQIDIW-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000157968866 716395998 /nfs/dbraw/zinc/39/59/98/716395998.db2.gz VCFWUNINHJQARQ-UHFFFAOYSA-N -1 0 347.367 2.841 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000157972357 716397933 /nfs/dbraw/zinc/39/79/33/716397933.db2.gz MWCUOVIOJCJBHX-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052792804 716605073 /nfs/dbraw/zinc/60/50/73/716605073.db2.gz UMTQCQQVQCQYLQ-CYBMUJFWSA-N -1 0 340.445 2.876 20 30 EFEDRM O=C(CCSc1ccc(F)cc1)[N-]S(=O)(=O)N1CCCC1 ZINC000052793180 716613487 /nfs/dbraw/zinc/61/34/87/716613487.db2.gz GXVCHUNNQSMIDE-UHFFFAOYSA-N -1 0 332.422 2.605 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052793662 716614594 /nfs/dbraw/zinc/61/45/94/716614594.db2.gz JEBYODSHYRDHFH-NSHDSACASA-N -1 0 346.836 2.713 20 30 EFEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000052795608 716622708 /nfs/dbraw/zinc/62/27/08/716622708.db2.gz BEJCCMIRCRLOJZ-UHFFFAOYSA-N -1 0 328.459 2.774 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000052795918 716623019 /nfs/dbraw/zinc/62/30/19/716623019.db2.gz KCDRQVAGMBXPBH-UHFFFAOYSA-N -1 0 336.335 2.741 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000052796071 716623404 /nfs/dbraw/zinc/62/34/04/716623404.db2.gz DJTWPUKFGDNDJK-UHFFFAOYSA-N -1 0 333.413 2.513 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1 ZINC000125696193 716726779 /nfs/dbraw/zinc/72/67/79/716726779.db2.gz YUFXUWSCJIBBCW-FYSMJZIKSA-N -1 0 348.468 2.584 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1 ZINC000125597567 716862722 /nfs/dbraw/zinc/86/27/22/716862722.db2.gz VRMJHJZMPLXLPX-CQSZACIVSA-N -1 0 331.372 2.922 20 30 EFEDRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000092693753 716893312 /nfs/dbraw/zinc/89/33/12/716893312.db2.gz QEKJWSMNAOCDEA-UHFFFAOYSA-N -1 0 349.456 2.910 20 30 EFEDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000057740108 716901170 /nfs/dbraw/zinc/90/11/70/716901170.db2.gz LKHHWAQTAYQNAJ-MRVPVSSYSA-N -1 0 327.431 2.547 20 30 EFEDRM C=CCc1ccc(OCC(=O)[N-]OCCC(F)(F)F)c(OC)c1 ZINC000162872793 716917263 /nfs/dbraw/zinc/91/72/63/716917263.db2.gz UMJNKBDNMZBQDZ-UHFFFAOYSA-N -1 0 333.306 2.803 20 30 EFEDRM CCOC(=O)C[C@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255602075 716962419 /nfs/dbraw/zinc/96/24/19/716962419.db2.gz JOIOCYUDWDNCRK-HUUTXYLISA-N -1 0 328.752 2.962 20 30 EFEDRM N#Cc1ccc(C2=N/C(=C\c3cc(F)c([O-])c(F)c3)C(=O)O2)cc1 ZINC000255613702 717135682 /nfs/dbraw/zinc/13/56/82/717135682.db2.gz QGQRPDRVCFNRCV-AUWJEWJLSA-N -1 0 326.258 2.887 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCS(=O)(=O)c2ccccc2)c1 ZINC000255628109 717206439 /nfs/dbraw/zinc/20/64/39/717206439.db2.gz GYICVOHHHQWWRH-ATVHPVEESA-N -1 0 348.380 2.583 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255635775 717291710 /nfs/dbraw/zinc/29/17/10/717291710.db2.gz DJIAQQOCHWHAHN-FQEMRORKSA-N -1 0 338.388 2.688 20 30 EFEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000065763240 717340951 /nfs/dbraw/zinc/34/09/51/717340951.db2.gz PDLVIHBWOXVYTE-UHFFFAOYSA-N -1 0 340.382 2.912 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cs1 ZINC000065763492 717347202 /nfs/dbraw/zinc/34/72/02/717347202.db2.gz UAGNWFGPORZZCT-UHFFFAOYSA-N -1 0 328.390 2.733 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)c(C)c1 ZINC000065763978 717347241 /nfs/dbraw/zinc/34/72/41/717347241.db2.gz MPPHTSYBIYWTBX-UHFFFAOYSA-N -1 0 340.445 2.501 20 30 EFEDRM Cc1cc(C)cc(N2CC[C@@H](C(=O)Nc3cc(C#N)ccc3[O-])C2=O)c1 ZINC000179735011 717859998 /nfs/dbraw/zinc/85/99/98/717859998.db2.gz SLNBGRDSYGZFRS-INIZCTEOSA-N -1 0 349.390 2.872 20 30 EFEDRM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179728160 717865806 /nfs/dbraw/zinc/86/58/06/717865806.db2.gz LDCHMGKIKBMTIC-HNNXBMFYSA-N -1 0 343.408 2.718 20 30 EFEDRM Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(Br)n1 ZINC000179731602 717867739 /nfs/dbraw/zinc/86/77/39/717867739.db2.gz BHPGPIYEPFMOOV-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000066229678 718151033 /nfs/dbraw/zinc/15/10/33/718151033.db2.gz APCWLJJMWFIYLF-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM N#CC(=C([O-])c1cc(C(F)(F)F)ccn1)c1nnc2n1CCCCC2 ZINC000892550575 718271528 /nfs/dbraw/zinc/27/15/28/718271528.db2.gz NKRUQWYWBDIRNY-NSHDSACASA-N -1 0 349.316 2.908 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1Br ZINC000066741717 718989125 /nfs/dbraw/zinc/98/91/25/718989125.db2.gz GMYBILVPYDZCMU-APPZFPTMSA-N -1 0 348.218 2.759 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc1Br ZINC000066741782 718989233 /nfs/dbraw/zinc/98/92/33/718989233.db2.gz BDRGWAYDPUQTBB-UHFFFAOYSA-N -1 0 336.207 2.759 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1Br ZINC000066741720 718989255 /nfs/dbraw/zinc/98/92/55/718989255.db2.gz GMYBILVPYDZCMU-VXNVDRBHSA-N -1 0 348.218 2.759 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)CCSc2ccccc2)CC1 ZINC000892752574 719125563 /nfs/dbraw/zinc/12/55/63/719125563.db2.gz BASYRIYWHQITNZ-UHFFFAOYSA-N -1 0 339.482 2.971 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000892862372 719242332 /nfs/dbraw/zinc/24/23/32/719242332.db2.gz CRNYIBQEMLWPHI-UHFFFAOYSA-N -1 0 343.832 2.950 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000127430965 724599910 /nfs/dbraw/zinc/59/99/10/724599910.db2.gz VROLLSPINXNZEP-MRXNPFEDSA-N -1 0 336.395 2.644 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122901985 719990396 /nfs/dbraw/zinc/99/03/96/719990396.db2.gz GOWSXYSASRAREL-KOLCDFICSA-N -1 0 349.749 2.572 20 30 EFEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122932022 720133640 /nfs/dbraw/zinc/13/36/40/720133640.db2.gz NLWGCXDOBWIMJX-LLVKDONJSA-N -1 0 330.413 2.589 20 30 EFEDRM N#C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1Cc1ccccc1 ZINC000893872201 720135505 /nfs/dbraw/zinc/13/55/05/720135505.db2.gz VEFDAVUEQMIAGT-KRWDZBQOSA-N -1 0 343.377 2.880 20 30 EFEDRM CC[C@H](CC#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000188056494 720534401 /nfs/dbraw/zinc/53/44/01/720534401.db2.gz SYWHWQGTAFNCDE-LLVKDONJSA-N -1 0 331.397 2.554 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123091060 720689376 /nfs/dbraw/zinc/68/93/76/720689376.db2.gz MFJBRHLEQVJJMP-GARJFASQSA-N -1 0 327.306 2.680 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(CC)n1 ZINC000123630065 720848591 /nfs/dbraw/zinc/84/85/91/720848591.db2.gz UCULGEGUXKLYSH-NSHDSACASA-N -1 0 327.340 2.597 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000909336166 721140380 /nfs/dbraw/zinc/14/03/80/721140380.db2.gz UVYLXTILVVPBIA-RDJZCZTQSA-N -1 0 333.384 2.850 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccc(C)o1 ZINC000917506991 728751434 /nfs/dbraw/zinc/75/14/34/728751434.db2.gz LXAYNCLQHJWLHR-GFCCVEGCSA-N -1 0 342.351 2.915 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000048587680 722666936 /nfs/dbraw/zinc/66/69/36/722666936.db2.gz YHSOQDZXQWIJGE-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000126631645 722688580 /nfs/dbraw/zinc/68/85/80/722688580.db2.gz GVPIJCVUMZPNCB-OAHLLOKOSA-N -1 0 337.335 2.542 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCCS(=O)(=O)c2ccccc2)c1 ZINC000069287196 728768168 /nfs/dbraw/zinc/76/81/68/728768168.db2.gz GYICVOHHHQWWRH-SFQUDFHCSA-N -1 0 348.380 2.583 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc(C(=O)[O-])cc1 ZINC000917579268 728762377 /nfs/dbraw/zinc/76/23/77/728762377.db2.gz FCROKTXTLUHMJE-UHFFFAOYSA-N -1 0 336.351 2.561 20 30 EFEDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(C#N)cc2Cl)C1 ZINC000895039824 723059947 /nfs/dbraw/zinc/05/99/47/723059947.db2.gz BLCMUYFLIYOYRS-CYBMUJFWSA-N -1 0 331.725 2.859 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(Br)c1Cl ZINC000181230572 728784632 /nfs/dbraw/zinc/78/46/32/728784632.db2.gz PKHXDLPEQCATKN-UHFFFAOYSA-N -1 0 332.581 2.815 20 30 EFEDRM Cc1cc2c(c(C)c1Cl)C(=NNc1nnc(C)c(=O)[n-]1)CCO2 ZINC000727778067 723121867 /nfs/dbraw/zinc/12/18/67/723121867.db2.gz ZXANEILKRXHMED-UHFFFAOYSA-N -1 0 333.779 2.755 20 30 EFEDRM CC(C)(CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CCCC#N ZINC000181269258 728808443 /nfs/dbraw/zinc/80/84/43/728808443.db2.gz WSVXCMBZGHLCOK-UHFFFAOYSA-N -1 0 336.457 2.785 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000918011687 728818658 /nfs/dbraw/zinc/81/86/58/728818658.db2.gz ZAUQFXHIHXORTL-CYBMUJFWSA-N -1 0 330.400 2.722 20 30 EFEDRM CN(C)c1cc(Cl)cc(Cl)c1CN[C@@H]1CCCN(O)C1=O ZINC000895158632 723486230 /nfs/dbraw/zinc/48/62/30/723486230.db2.gz LHWXHCNFAFJFQB-GFCCVEGCSA-N -1 0 332.231 2.529 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1cccc([N+](=O)[O-])c1C)O2 ZINC000727973449 723544781 /nfs/dbraw/zinc/54/47/81/723544781.db2.gz LZQSRSHMDVIXEE-UHFFFAOYSA-N -1 0 327.296 2.918 20 30 EFEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226011 723854664 /nfs/dbraw/zinc/85/46/64/723854664.db2.gz DFBCBXRYLSCQNV-ORPVNXHJSA-N -1 0 339.351 2.999 20 30 EFEDRM C=C(C)C(C)(C)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000909565982 723863484 /nfs/dbraw/zinc/86/34/84/723863484.db2.gz FZWUHZLPWXIBMP-UHFFFAOYSA-N -1 0 327.384 2.789 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000727259675 723879194 /nfs/dbraw/zinc/87/91/94/723879194.db2.gz KWNKXOJDDKXVRS-UHFFFAOYSA-N -1 0 340.364 2.602 20 30 EFEDRM C=CCC(C)(C)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000909568995 723885096 /nfs/dbraw/zinc/88/50/96/723885096.db2.gz YOSUXSMPOPBUQW-UHFFFAOYSA-N -1 0 327.384 2.789 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)oc2C)cc1 ZINC000181334655 728868305 /nfs/dbraw/zinc/86/83/05/728868305.db2.gz VPKPJMYGNJMURZ-UHFFFAOYSA-N -1 0 335.381 2.580 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)c1 ZINC000918398630 728874779 /nfs/dbraw/zinc/87/47/79/728874779.db2.gz BCDPKLKIBAMZOI-LLVKDONJSA-N -1 0 348.449 2.727 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2nccn2CC(F)(F)F)cc1 ZINC000728698660 724136421 /nfs/dbraw/zinc/13/64/21/724136421.db2.gz LYYYPCGJZXTKKD-WAYWQWQTSA-N -1 0 338.285 2.969 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2[n-]c1=S ZINC000026537444 725029036 /nfs/dbraw/zinc/02/90/36/725029036.db2.gz GUCCSCIPDRIOAK-UHFFFAOYSA-N -1 0 329.425 2.544 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ccn(-c2ccccc2)n1 ZINC000069524823 728941308 /nfs/dbraw/zinc/94/13/08/728941308.db2.gz XILBMDOYROTNIH-UHFFFAOYSA-N -1 0 333.394 2.627 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2[nH]c1=O ZINC000069524417 728941343 /nfs/dbraw/zinc/94/13/43/728941343.db2.gz CJWPUOVSORLMHK-UHFFFAOYSA-N -1 0 342.376 2.530 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)c1 ZINC000188928867 725436307 /nfs/dbraw/zinc/43/63/07/725436307.db2.gz HBFDHRLKFRMZHU-UHFFFAOYSA-N -1 0 349.383 2.633 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCc2ccccc2C1 ZINC000089982090 725614202 /nfs/dbraw/zinc/61/42/02/725614202.db2.gz FCDBCFDLPWQRIE-CYBMUJFWSA-N -1 0 336.457 2.662 20 30 EFEDRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054492499 726358580 /nfs/dbraw/zinc/35/85/80/726358580.db2.gz OQRDXCIGPDXYGE-SECBINFHSA-N -1 0 328.321 2.735 20 30 EFEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054492845 726358900 /nfs/dbraw/zinc/35/89/00/726358900.db2.gz KTBQYVMZFAGFIH-UHFFFAOYSA-N -1 0 344.345 2.683 20 30 EFEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054493126 726359974 /nfs/dbraw/zinc/35/99/74/726359974.db2.gz OXPFKJKPTMOCKV-UHFFFAOYSA-N -1 0 342.304 2.605 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000054494870 726365694 /nfs/dbraw/zinc/36/56/94/726365694.db2.gz IOIHZIQPSXBASV-XBXARRHUSA-N -1 0 328.321 2.735 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547033 726891926 /nfs/dbraw/zinc/89/19/26/726891926.db2.gz WAYOWVHOSAQUGX-AWEZNQCLSA-N -1 0 335.335 2.753 20 30 EFEDRM O=C([O-])COc1ccc(C=NNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000731558218 726895058 /nfs/dbraw/zinc/89/50/58/726895058.db2.gz MVUJTCORBVTQSR-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000907802899 727014013 /nfs/dbraw/zinc/01/40/13/727014013.db2.gz VGDKPTJQWJXGEX-ZDUSSCGKSA-N -1 0 332.400 2.762 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)OCC ZINC000908177207 727115014 /nfs/dbraw/zinc/11/50/14/727115014.db2.gz QJLOSLIXIFYNCR-YRTQGLMCSA-N -1 0 341.473 2.603 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218906 727135222 /nfs/dbraw/zinc/13/52/22/727135222.db2.gz RGQSIZRBLFIHHC-RDJZCZTQSA-N -1 0 343.379 2.771 20 30 EFEDRM Cc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1Oc1cccnc1 ZINC000732711593 727194530 /nfs/dbraw/zinc/19/45/30/727194530.db2.gz QCOMXFNGZZIAOY-UHFFFAOYSA-N -1 0 336.355 2.827 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000908590109 727226815 /nfs/dbraw/zinc/22/68/15/727226815.db2.gz PNCXTNGFJQQDIY-ZDUSSCGKSA-N -1 0 335.400 2.938 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(OCCC(C)C)c(F)c1)C(=O)[O-] ZINC000908629027 727228501 /nfs/dbraw/zinc/22/85/01/727228501.db2.gz QVBWKRAQKKTPST-AWEZNQCLSA-N -1 0 336.363 2.849 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000908656114 727236470 /nfs/dbraw/zinc/23/64/70/727236470.db2.gz SHEGWMNLWTYWER-NSHDSACASA-N -1 0 327.302 2.949 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000908706949 727248581 /nfs/dbraw/zinc/24/85/81/727248581.db2.gz GCDJSXGUAINRCU-ZDUSSCGKSA-N -1 0 327.302 2.530 20 30 EFEDRM CC[C@](C)(NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000908767881 727260119 /nfs/dbraw/zinc/26/01/19/727260119.db2.gz AIIUFOIUKYRVBD-HNNXBMFYSA-N -1 0 342.317 2.609 20 30 EFEDRM CSc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000732859901 727261619 /nfs/dbraw/zinc/26/16/19/727261619.db2.gz IKEWDEGEYPELJY-SECBINFHSA-N -1 0 336.394 2.800 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N ZINC000732904260 727270582 /nfs/dbraw/zinc/27/05/82/727270582.db2.gz BGQXKRGVPAPGEJ-CYBMUJFWSA-N -1 0 347.440 2.661 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC)cc1 ZINC000732903614 727270704 /nfs/dbraw/zinc/27/07/04/727270704.db2.gz KPZNABVZVGWKNO-ZDUSSCGKSA-N -1 0 325.430 2.747 20 30 EFEDRM C#CCCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909027304 727306656 /nfs/dbraw/zinc/30/66/56/727306656.db2.gz HNOQCAOPIVRBSR-GFCCVEGCSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909097116 727322077 /nfs/dbraw/zinc/32/20/77/727322077.db2.gz KACXBJNHIOHIDK-DOTOQJQBSA-N -1 0 345.443 2.622 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cc(C)ccc1OC(F)F)C(=O)[O-] ZINC000909113305 727324424 /nfs/dbraw/zinc/32/44/24/727324424.db2.gz RJHJYAXANVDWPS-GFCCVEGCSA-N -1 0 342.342 2.815 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000909188198 727339579 /nfs/dbraw/zinc/33/95/79/727339579.db2.gz SMCGYNGNIDSPQQ-SFHVURJKSA-N -1 0 330.384 2.893 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])OCC ZINC000909237846 727350888 /nfs/dbraw/zinc/35/08/88/727350888.db2.gz JBQWZUFADJYYOE-ZBFHGGJFSA-N -1 0 337.391 2.557 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909711668 727366160 /nfs/dbraw/zinc/36/61/60/727366160.db2.gz JHIRRTGSQROAOS-LPHOPBHVSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909715298 727366558 /nfs/dbraw/zinc/36/65/58/727366558.db2.gz LGLWQOXGXYXFIT-NWDGAFQWSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)C(=O)[O-] ZINC000909718862 727368301 /nfs/dbraw/zinc/36/83/01/727368301.db2.gz UKDAQDOASIKURI-KRWDZBQOSA-N -1 0 341.411 2.697 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000909765870 727373082 /nfs/dbraw/zinc/37/30/82/727373082.db2.gz GQEXQIFKHUXXGZ-ZDUSSCGKSA-N -1 0 336.775 2.515 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000909768706 727373389 /nfs/dbraw/zinc/37/33/89/727373389.db2.gz WBTVCZLCKZYTFP-SUMWQHHRSA-N -1 0 327.380 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](c1cccnc1)C1CCCCC1)C(=O)[O-] ZINC000909771221 727373733 /nfs/dbraw/zinc/37/37/33/727373733.db2.gz LEFDYVYCGRYEJH-IRXDYDNUSA-N -1 0 346.427 2.518 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909816508 727383257 /nfs/dbraw/zinc/38/32/57/727383257.db2.gz BBXWQWULNSGZGX-URLQWDBASA-N -1 0 333.428 2.663 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)OCC ZINC000909831382 727383779 /nfs/dbraw/zinc/38/37/79/727383779.db2.gz VHGOFYAQTKZADQ-YESZJQIVSA-N -1 0 331.412 2.685 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)OCC ZINC000909855507 727386044 /nfs/dbraw/zinc/38/60/44/727386044.db2.gz HBYZQVAJCDDGFE-LPHOPBHVSA-N -1 0 331.412 2.613 20 30 EFEDRM C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1O)C(=O)N(C)CCC#N ZINC000909862605 727392779 /nfs/dbraw/zinc/39/27/79/727392779.db2.gz HYUZTCVCEWEXBT-QMMMGPOBSA-N -1 0 345.182 2.616 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)C(=O)[O-] ZINC000910052764 727406025 /nfs/dbraw/zinc/40/60/25/727406025.db2.gz IALISZLQPPZCBM-CQSZACIVSA-N -1 0 342.420 2.562 20 30 EFEDRM C#CC[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000910052940 727406043 /nfs/dbraw/zinc/40/60/43/727406043.db2.gz KPONKCKBNZPYNZ-INIZCTEOSA-N -1 0 325.364 2.592 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000910053028 727406060 /nfs/dbraw/zinc/40/60/60/727406060.db2.gz MVBSXOVTRZLYAF-KBXCAEBGSA-N -1 0 338.407 2.921 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000910054919 727406148 /nfs/dbraw/zinc/40/61/48/727406148.db2.gz ZTTGTIDJEZDJHD-OAHLLOKOSA-N -1 0 342.782 2.972 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000910046533 727407940 /nfs/dbraw/zinc/40/79/40/727407940.db2.gz RQJYMMODBZBDJG-QWHCGFSZSA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000910046531 727407961 /nfs/dbraw/zinc/40/79/61/727407961.db2.gz RQJYMMODBZBDJG-CHWSQXEVSA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@@H](NC(=O)c1c(C)cc(C)c(Br)c1C)C(=O)[O-] ZINC000910048802 727408169 /nfs/dbraw/zinc/40/81/69/727408169.db2.gz OVRJCUWJCDVIKW-LLVKDONJSA-N -1 0 338.201 2.581 20 30 EFEDRM C#CC[C@@H](NC(=O)C1(Cc2cccc(OC)c2)CCCCC1)C(=O)[O-] ZINC000910049297 727408267 /nfs/dbraw/zinc/40/82/67/727408267.db2.gz VEYSCMAYKVREGY-QGZVFWFLSA-N -1 0 343.423 2.781 20 30 EFEDRM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000129293688 727409748 /nfs/dbraw/zinc/40/97/48/727409748.db2.gz ZOEDFZRHBGMGHG-UHFFFAOYSA-N -1 0 348.449 2.756 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910073111 727410258 /nfs/dbraw/zinc/41/02/58/727410258.db2.gz UPOONXDAIWTSBL-SFHVURJKSA-N -1 0 341.407 2.935 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000028080213 727416980 /nfs/dbraw/zinc/41/69/80/727416980.db2.gz ARMFPQCVMRNVQJ-TZMCWYRMSA-N -1 0 344.392 2.639 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910292903 727430877 /nfs/dbraw/zinc/43/08/77/727430877.db2.gz SIVOCIHHNBVJHW-OLZOCXBDSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(C)C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910292905 727430897 /nfs/dbraw/zinc/43/08/97/727430897.db2.gz SIVOCIHHNBVJHW-STQMWFEESA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(C)C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910292904 727430949 /nfs/dbraw/zinc/43/09/49/727430949.db2.gz SIVOCIHHNBVJHW-QWHCGFSZSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-])c1ccccc1 ZINC000910465955 727443850 /nfs/dbraw/zinc/44/38/50/727443850.db2.gz LTPDXWGIRHIEAC-DOTOQJQBSA-N -1 0 331.412 2.732 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])OCC ZINC000910579200 727451532 /nfs/dbraw/zinc/45/15/32/727451532.db2.gz IPUPGRAAROOGHZ-NVXWUHKLSA-N -1 0 345.395 2.916 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])OCC ZINC000910579198 727451570 /nfs/dbraw/zinc/45/15/70/727451570.db2.gz IPUPGRAAROOGHZ-DOTOQJQBSA-N -1 0 345.395 2.916 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)OCC ZINC000910686807 727458896 /nfs/dbraw/zinc/45/88/96/727458896.db2.gz ZVCNQAKXJXMDIM-JQWIXIFHSA-N -1 0 338.429 2.642 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)c(O)c(OC)c1)C(=O)[O-] ZINC000910914235 727471673 /nfs/dbraw/zinc/47/16/73/727471673.db2.gz DUDSZYANPOTUAR-NSHDSACASA-N -1 0 327.764 2.594 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000910914765 727471779 /nfs/dbraw/zinc/47/17/79/727471779.db2.gz ODUFTIJNGOHESH-CYBMUJFWSA-N -1 0 334.397 2.871 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cn1c(CC)nc2ccccc21)C(=O)[O-] ZINC000910914460 727471781 /nfs/dbraw/zinc/47/17/81/727471781.db2.gz HJXNSLTZINYNDE-AWEZNQCLSA-N -1 0 329.400 2.524 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)C(=O)[O-] ZINC000910916547 727472084 /nfs/dbraw/zinc/47/20/84/727472084.db2.gz XWNQOVGOAOYMRO-MRXNPFEDSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910923281 727472238 /nfs/dbraw/zinc/47/22/38/727472238.db2.gz RQTDBMMTYTUOPO-DOTOQJQBSA-N -1 0 331.412 2.726 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000910923505 727472251 /nfs/dbraw/zinc/47/22/51/727472251.db2.gz SEHJFPKVCPLBPH-MRXNPFEDSA-N -1 0 341.411 2.665 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cn1nc(C(F)F)cc1C1CC1)C(=O)[O-] ZINC000910924258 727472322 /nfs/dbraw/zinc/47/23/22/727472322.db2.gz YJDFAQGYFKIVEX-LLVKDONJSA-N -1 0 341.358 2.624 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(Nc2ccn(C)n2)cc1)C(=O)[O-] ZINC000910925154 727472355 /nfs/dbraw/zinc/47/23/55/727472355.db2.gz ICZTUBKGIIMKNI-HNNXBMFYSA-N -1 0 342.399 2.703 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1[nH]c(=O)c2ccccc2c1C)C(=O)[O-] ZINC000910924886 727472358 /nfs/dbraw/zinc/47/23/58/727472358.db2.gz GFPQWDBHMQTPRE-CQSZACIVSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1C)C(=O)[O-] ZINC000910924375 727472361 /nfs/dbraw/zinc/47/23/61/727472361.db2.gz ASDQBLAAIBJQKC-OAHLLOKOSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCC1(C(=O)N2CCCN(c3ccc(C(=O)[O-])cn3)CC2)CCC1 ZINC000911311277 727527286 /nfs/dbraw/zinc/52/72/86/727527286.db2.gz YAURKKGZOFJVQO-UHFFFAOYSA-N -1 0 343.427 2.565 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911369296 727534018 /nfs/dbraw/zinc/53/40/18/727534018.db2.gz QEKKMDWSKMPLDV-UHFFFAOYSA-N -1 0 329.396 2.740 20 30 EFEDRM O=C([O-])COc1ccc(C=NNC(=S)Nc2ccccc2F)cc1 ZINC000915921026 727640089 /nfs/dbraw/zinc/64/00/89/727640089.db2.gz LEMVWUMSPNHYFE-UHFFFAOYSA-N -1 0 347.371 2.610 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000915925567 727640714 /nfs/dbraw/zinc/64/07/14/727640714.db2.gz PMUNTBUNLINTLS-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM CC(C)(C)n1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cn1 ZINC000915956784 727642486 /nfs/dbraw/zinc/64/24/86/727642486.db2.gz AZGJYVRPUDWEIQ-UHFFFAOYSA-N -1 0 327.413 2.519 20 30 EFEDRM CC(=O)Nc1ccc(O)c(C(C)=NNc2ccccc2C(=O)[O-])c1 ZINC000915955678 727642528 /nfs/dbraw/zinc/64/25/28/727642528.db2.gz IIZOTXWKBNBBOY-UHFFFAOYSA-N -1 0 327.340 2.885 20 30 EFEDRM Cn1c(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nnc1-c1ccccc1 ZINC000915967560 727643702 /nfs/dbraw/zinc/64/37/02/727643702.db2.gz GEZPVLYTBFTYOG-UHFFFAOYSA-N -1 0 338.327 2.542 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC000915991703 727646166 /nfs/dbraw/zinc/64/61/66/727646166.db2.gz IYIRGGLHIJOFAZ-FNORWQNLSA-N -1 0 337.331 2.926 20 30 EFEDRM COc1cccc2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)oc21 ZINC000916136891 727659970 /nfs/dbraw/zinc/65/99/70/727659970.db2.gz BXVHBQPZLGBXHT-MWWKQMNYSA-N -1 0 326.304 2.670 20 30 EFEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OCC#N ZINC000916255300 727669804 /nfs/dbraw/zinc/66/98/04/727669804.db2.gz QKDVOPFWHQFPQE-UHFFFAOYSA-N -1 0 325.324 2.742 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1cccc(OCC(=O)[O-])c1 ZINC000916244993 727670730 /nfs/dbraw/zinc/67/07/30/727670730.db2.gz LJRCCVMIWVLUKR-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000916246259 727670865 /nfs/dbraw/zinc/67/08/65/727670865.db2.gz OAPJJTZEZJOURT-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000916276069 727672828 /nfs/dbraw/zinc/67/28/28/727672828.db2.gz ITSNWTHCQYEMFM-PWSUYJOCSA-N -1 0 336.417 2.677 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916282844 727673426 /nfs/dbraw/zinc/67/34/26/727673426.db2.gz SDQBNCLDVXITEZ-UHFFFAOYSA-N -1 0 344.394 2.851 20 30 EFEDRM CC(C)(C)NC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000916343580 727678273 /nfs/dbraw/zinc/67/82/73/727678273.db2.gz IRXFPPAQRHVQNR-UHFFFAOYSA-N -1 0 330.797 2.550 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)sc1C ZINC000916809102 727737163 /nfs/dbraw/zinc/73/71/63/727737163.db2.gz WTKHFZRFBWRLMB-UHFFFAOYSA-N -1 0 348.449 2.999 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000916868700 727740252 /nfs/dbraw/zinc/74/02/52/727740252.db2.gz UVSUDQYAXMDKGT-ZDUSSCGKSA-N -1 0 348.399 2.906 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916875007 727740554 /nfs/dbraw/zinc/74/05/54/727740554.db2.gz ORRXSIVNMYSETM-HNNXBMFYSA-N -1 0 342.399 2.543 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1 ZINC000916876110 727740569 /nfs/dbraw/zinc/74/05/69/727740569.db2.gz OXNOMUNOUXTPBO-AWEZNQCLSA-N -1 0 326.400 2.662 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000916917693 727741613 /nfs/dbraw/zinc/74/16/13/727741613.db2.gz GDTWCMWIJIAUDN-HNNXBMFYSA-N -1 0 342.326 2.622 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000916917755 727741683 /nfs/dbraw/zinc/74/16/83/727741683.db2.gz NCDKEIWZOICLQV-LLVKDONJSA-N -1 0 328.315 2.923 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOCC(F)(F)F)c1[O-] ZINC000912782302 727744099 /nfs/dbraw/zinc/74/40/99/727744099.db2.gz ITTFHVGUKFEMSV-FZSIALSZSA-N -1 0 326.658 2.952 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1CC(F)(F)F ZINC000916947287 727745292 /nfs/dbraw/zinc/74/52/92/727745292.db2.gz ZKBWGJOPHPOTNC-LBPRGKRZSA-N -1 0 329.322 2.514 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1CC(F)(F)F ZINC000916947286 727745393 /nfs/dbraw/zinc/74/53/93/727745393.db2.gz ZKBWGJOPHPOTNC-GFCCVEGCSA-N -1 0 329.322 2.514 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Nc2ncccn2)c1 ZINC000917040365 727756078 /nfs/dbraw/zinc/75/60/78/727756078.db2.gz FNVQQVUCXWFMPE-INIZCTEOSA-N -1 0 349.394 2.601 20 30 EFEDRM COC(=O)C[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000151104691 727779237 /nfs/dbraw/zinc/77/92/37/727779237.db2.gz ZFNPABXSXMVXHJ-GXFFZTMASA-N -1 0 326.352 2.567 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1OC1CCCC1 ZINC000129553315 727901719 /nfs/dbraw/zinc/90/17/19/727901719.db2.gz KODAOBKQFZITPB-HNNXBMFYSA-N -1 0 342.395 2.618 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000129558370 727903150 /nfs/dbraw/zinc/90/31/50/727903150.db2.gz RUBJEINUIFBMND-MRXNPFEDSA-N -1 0 340.404 2.928 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cn(-c2ccccc2)nn1 ZINC000165048874 728011267 /nfs/dbraw/zinc/01/12/67/728011267.db2.gz XXBCUNAFHHHDTD-VQHVLOKHSA-N -1 0 336.307 2.777 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000165603146 728059265 /nfs/dbraw/zinc/05/92/65/728059265.db2.gz KIYARFGOJLFCCP-UHFFFAOYSA-N -1 0 335.784 2.762 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)c1Cl ZINC000058050753 728131976 /nfs/dbraw/zinc/13/19/76/728131976.db2.gz BUDXQVIFDBUMIR-UHFFFAOYSA-N -1 0 339.760 2.513 20 30 EFEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000058051532 728132041 /nfs/dbraw/zinc/13/20/41/728132041.db2.gz WTXYCVVYTRFARZ-UHFFFAOYSA-N -1 0 341.820 2.660 20 30 EFEDRM CCc1sc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1C ZINC000058052798 728132480 /nfs/dbraw/zinc/13/24/80/728132480.db2.gz NGLHJPMWNVQARE-UHFFFAOYSA-N -1 0 347.849 2.699 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)o1 ZINC000058103512 728143657 /nfs/dbraw/zinc/14/36/57/728143657.db2.gz GVPJQMSKYMBZDW-UHFFFAOYSA-N -1 0 339.760 2.583 20 30 EFEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccccc1 ZINC000058102684 728143661 /nfs/dbraw/zinc/14/36/61/728143661.db2.gz LCFDKMCKYUOJKE-UHFFFAOYSA-N -1 0 335.772 2.681 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058113326 728144513 /nfs/dbraw/zinc/14/45/13/728144513.db2.gz XXZDTTOATMPQRA-UHFFFAOYSA-N -1 0 347.421 2.936 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000046929707 728324513 /nfs/dbraw/zinc/32/45/13/728324513.db2.gz PKGDZGFTYUXFRZ-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)cc1 ZINC000046927180 728325408 /nfs/dbraw/zinc/32/54/08/728325408.db2.gz RJEOHHVNXPYVAV-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nc1C ZINC000171145879 728519487 /nfs/dbraw/zinc/51/94/87/728519487.db2.gz VPUWCWKIACYHED-INIZCTEOSA-N -1 0 338.411 2.810 20 30 EFEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC2CC2)cs1 ZINC000171365999 728532500 /nfs/dbraw/zinc/53/25/00/728532500.db2.gz RNEYJRPWGUREKT-ZDUSSCGKSA-N -1 0 325.393 2.720 20 30 EFEDRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172209196 728574274 /nfs/dbraw/zinc/57/42/74/728574274.db2.gz OUFPCTQIISEGKE-AWEZNQCLSA-N -1 0 342.420 2.865 20 30 EFEDRM C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCCCCCC)cc1 ZINC000173942399 728642477 /nfs/dbraw/zinc/64/24/77/728642477.db2.gz IXUJOLHFPOQENY-QGZVFWFLSA-N -1 0 326.396 2.718 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1NC(=O)CC(C)C ZINC000173975220 728643466 /nfs/dbraw/zinc/64/34/66/728643466.db2.gz GXAAYQGFADMMOF-HNNXBMFYSA-N -1 0 341.411 2.581 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)[O-] ZINC000232044578 728646954 /nfs/dbraw/zinc/64/69/54/728646954.db2.gz VYEJVJLZKVZOIQ-NSHDSACASA-N -1 0 339.189 2.664 20 30 EFEDRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000063878441 728653161 /nfs/dbraw/zinc/65/31/61/728653161.db2.gz XJAOANRCCPODOY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1csc(CC(C)C)n1 ZINC000064099702 728670616 /nfs/dbraw/zinc/67/06/16/728670616.db2.gz TVKLZCMCBFQHSW-UHFFFAOYSA-N -1 0 343.430 2.640 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(C)c2)cc1 ZINC000154971522 729020138 /nfs/dbraw/zinc/02/01/38/729020138.db2.gz SIKSYKAZSUKSGI-SFHVURJKSA-N -1 0 336.391 2.685 20 30 EFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCn2cccn2)c1C ZINC000069604148 729039081 /nfs/dbraw/zinc/03/90/81/729039081.db2.gz AUEPMEKNUBWLKM-UHFFFAOYSA-N -1 0 335.429 2.852 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000155059283 729073514 /nfs/dbraw/zinc/07/35/14/729073514.db2.gz KIWGTIZEGMPCHX-LBPRGKRZSA-N -1 0 332.743 2.580 20 30 EFEDRM CSc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccn1 ZINC000920565213 729201090 /nfs/dbraw/zinc/20/10/90/729201090.db2.gz OKIAPKWDJQQJEB-NSHDSACASA-N -1 0 347.421 2.602 20 30 EFEDRM COC(=O)c1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1OC ZINC000920942197 729245574 /nfs/dbraw/zinc/24/55/74/729245574.db2.gz QOLCBVDIUYIIFB-VCHYOVAHSA-N -1 0 344.323 2.715 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(O)cc2)n1 ZINC000921249746 729280952 /nfs/dbraw/zinc/28/09/52/729280952.db2.gz AJCMHMIZIHPDNH-HJHHMULASA-N -1 0 342.376 2.590 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)c1 ZINC000064475304 729488020 /nfs/dbraw/zinc/48/80/20/729488020.db2.gz GQDBPPQDZBECBT-UHFFFAOYSA-N -1 0 329.377 2.564 20 30 EFEDRM CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000064619750 729501520 /nfs/dbraw/zinc/50/15/20/729501520.db2.gz FCRIHTOOGGXGBU-UHFFFAOYSA-N -1 0 328.459 2.752 20 30 EFEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000064619075 729501631 /nfs/dbraw/zinc/50/16/31/729501631.db2.gz NVGMBKKCHHVHHW-UHFFFAOYSA-N -1 0 340.445 2.841 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1 ZINC000175685536 729516443 /nfs/dbraw/zinc/51/64/43/729516443.db2.gz BEOGMFDMNDHZMI-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCC ZINC000130837476 729729675 /nfs/dbraw/zinc/72/96/75/729729675.db2.gz RBYOYHBPMVMHHQ-CQSZACIVSA-N -1 0 332.400 2.721 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001465105491 804069908 /nfs/dbraw/zinc/06/99/08/804069908.db2.gz CVLXFXZPUVPYGU-ZIAGYGMSSA-N -1 0 343.470 2.709 20 30 EFEDRM C=C(Br)CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000161509814 939032769 /nfs/dbraw/zinc/03/27/69/939032769.db2.gz GYORAMHGVAVWPD-UHFFFAOYSA-N -1 0 333.226 2.618 20 30 EFEDRM C=C(Br)CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000797714499 939174614 /nfs/dbraw/zinc/17/46/14/939174614.db2.gz CSSGZKVWNHXELM-CQSZACIVSA-N -1 0 341.205 2.584 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000797740142 939202063 /nfs/dbraw/zinc/20/20/63/939202063.db2.gz QKYSQYFUOFTIFI-HNNXBMFYSA-N -1 0 327.340 2.594 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000797744077 939206388 /nfs/dbraw/zinc/20/63/88/939206388.db2.gz QKEGAZARJMTKNI-MRXNPFEDSA-N -1 0 342.326 2.785 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000797744074 939206463 /nfs/dbraw/zinc/20/64/63/939206463.db2.gz QKEGAZARJMTKNI-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746590 939266022 /nfs/dbraw/zinc/26/60/22/939266022.db2.gz YTEKVKZJEVUZOI-GXFFZTMASA-N -1 0 345.317 2.929 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000929045976 939802390 /nfs/dbraw/zinc/80/23/90/939802390.db2.gz TVYKKPPBOOJGMB-IRXDYDNUSA-N -1 0 346.427 2.873 20 30 EFEDRM N#C[C@@H](COC(=O)CCC(=O)[O-])Cc1ccccc1Br ZINC001611291319 970977634 /nfs/dbraw/zinc/97/76/34/970977634.db2.gz NYLBENQUTGODKU-JTQLQIEISA-N -1 0 340.173 2.539 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NC3CCC(C(=O)[O-])CC3)on2)c1 ZINC001611299653 970982107 /nfs/dbraw/zinc/98/21/07/970982107.db2.gz MJBKLDGVZFDGAR-UHFFFAOYSA-N -1 0 339.351 2.586 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(C)ccc2OC(F)F)o1 ZINC000822259513 946037594 /nfs/dbraw/zinc/03/75/94/946037594.db2.gz ZYPOQSFMAXNJKD-UHFFFAOYSA-N -1 0 349.301 2.519 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602671636 971234040 /nfs/dbraw/zinc/23/40/40/971234040.db2.gz DTURFQFNZVXZSE-IINYFYTJSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(Cl)cc1 ZINC001602671764 971235212 /nfs/dbraw/zinc/23/52/12/971235212.db2.gz FZCKTKWIZABLEF-ZDUSSCGKSA-N -1 0 337.828 2.729 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001602675823 971253932 /nfs/dbraw/zinc/25/39/32/971253932.db2.gz USQRJSFURFFWLK-SFHVURJKSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CCN(Cc1ccccc1)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573283303 946712493 /nfs/dbraw/zinc/71/24/93/946712493.db2.gz RJJKPIYQLRAVBR-UHFFFAOYSA-N -1 0 330.804 2.616 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001602682237 971266453 /nfs/dbraw/zinc/26/64/53/971266453.db2.gz JZXZITMIRCGJPJ-IBGZPJMESA-N -1 0 335.403 2.949 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC001602682829 971270603 /nfs/dbraw/zinc/27/06/03/971270603.db2.gz VMMWJGKZHFVCBC-XYOKQWHBSA-N -1 0 345.704 2.832 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC001602688150 971288861 /nfs/dbraw/zinc/28/88/61/971288861.db2.gz DYJHIPWPUSYUHQ-KRWDZBQOSA-N -1 0 328.412 2.917 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC001602688249 971290061 /nfs/dbraw/zinc/29/00/61/971290061.db2.gz HCEPUQVVVRGZCP-UHFFFAOYSA-N -1 0 345.399 2.531 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC001602691731 971298822 /nfs/dbraw/zinc/29/88/22/971298822.db2.gz WHBHAKMEQOFXLC-UHFFFAOYSA-N -1 0 342.782 2.926 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001602691806 971299988 /nfs/dbraw/zinc/29/99/88/971299988.db2.gz ZXQVJOXQHGBDCO-OAHLLOKOSA-N -1 0 337.375 2.987 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccnc1SCC1CCCCC1 ZINC001602692646 971304223 /nfs/dbraw/zinc/30/42/23/971304223.db2.gz VLGQUROWHPJJJR-UHFFFAOYSA-N -1 0 346.452 2.914 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001602704295 971332999 /nfs/dbraw/zinc/33/29/99/971332999.db2.gz BWZHFBDTZWKBJM-GQCTYLIASA-N -1 0 329.283 2.781 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c1 ZINC001602704351 971334357 /nfs/dbraw/zinc/33/43/57/971334357.db2.gz FUQJRNMMFGLPNJ-GOSISDBHSA-N -1 0 330.384 2.807 20 30 EFEDRM C#Cc1cncc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001602707426 971344416 /nfs/dbraw/zinc/34/44/16/971344416.db2.gz UYVWQYFJNOGHBJ-OAHLLOKOSA-N -1 0 334.375 2.747 20 30 EFEDRM C=CC1(CC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CCCCC1 ZINC001602717675 971370421 /nfs/dbraw/zinc/37/04/21/971370421.db2.gz XQGNFOSGAABYGL-UHFFFAOYSA-N -1 0 333.388 2.577 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602718992 971379351 /nfs/dbraw/zinc/37/93/51/971379351.db2.gz JKTAEMVQWYAQJF-DGSCNEQVSA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001602721972 971384551 /nfs/dbraw/zinc/38/45/51/971384551.db2.gz LDESALMHKVSQJH-XJKSGUPXSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1OC ZINC001602728999 971399259 /nfs/dbraw/zinc/39/92/59/971399259.db2.gz VCQOTPBUAYWHTH-UHFFFAOYSA-N -1 0 343.335 2.916 20 30 EFEDRM CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1F ZINC001602780240 971518096 /nfs/dbraw/zinc/51/80/96/971518096.db2.gz CQGMAEOGDBJLRG-INIZCTEOSA-N -1 0 340.782 2.877 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCSc1ccc(F)cc1F ZINC001602781753 971525427 /nfs/dbraw/zinc/52/54/27/971525427.db2.gz GXJZBFCUAWQLHP-CQSZACIVSA-N -1 0 329.324 2.605 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001602781244 971522398 /nfs/dbraw/zinc/52/23/98/971522398.db2.gz UHQRZCBFHKHIAF-INIZCTEOSA-N -1 0 334.803 2.882 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC001589584741 949034842 /nfs/dbraw/zinc/03/48/42/949034842.db2.gz VIXYPXBDULWZMA-LJQANCHMSA-N -1 0 328.412 2.939 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001589585037 949037676 /nfs/dbraw/zinc/03/76/76/949037676.db2.gz YRNRFXRQDGGYTC-QFBILLFUSA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)C(=O)[O-] ZINC001602797675 971569286 /nfs/dbraw/zinc/56/92/86/971569286.db2.gz URKFOGIJJDBDCY-NXEZZACHSA-N -1 0 328.290 2.667 20 30 EFEDRM CCC1(CC)Oc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2O1 ZINC001589614955 949355453 /nfs/dbraw/zinc/35/54/53/949355453.db2.gz CMGWRVDATRZKCE-MRXNPFEDSA-N -1 0 332.356 2.917 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001589640087 949680074 /nfs/dbraw/zinc/68/00/74/949680074.db2.gz YIRFYUWCWPKJNO-GFCCVEGCSA-N -1 0 338.408 2.613 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(c2ccc(C#N)c(Br)c2F)C1 ZINC000231842251 949757540 /nfs/dbraw/zinc/75/75/40/949757540.db2.gz WTZAUKNSFMUITF-ZDUSSCGKSA-N -1 0 327.153 2.761 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC001602815467 971617547 /nfs/dbraw/zinc/61/75/47/971617547.db2.gz WFCCVXUESRYTDE-CQSZACIVSA-N -1 0 349.390 2.951 20 30 EFEDRM CC(C)(C(=O)Nc1ccnc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001602830849 971655114 /nfs/dbraw/zinc/65/51/14/971655114.db2.gz BAPKEDFAPNPRTN-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589720610 950417964 /nfs/dbraw/zinc/41/79/64/950417964.db2.gz SRQSHYPJOGORIN-SECBINFHSA-N -1 0 341.770 2.597 20 30 EFEDRM O=C([O-])CC1(C(=O)OCC#Cc2cccc(Cl)c2)CCOCC1 ZINC001594977651 950939275 /nfs/dbraw/zinc/93/92/75/950939275.db2.gz AYRLNOBFBRSWAD-UHFFFAOYSA-N -1 0 336.771 2.506 20 30 EFEDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)N(O)Cc2cccc3ccccc32)CO1 ZINC001594999810 951107188 /nfs/dbraw/zinc/10/71/88/951107188.db2.gz BEVWHZWCFJTTHX-CVEARBPZSA-N -1 0 343.379 2.828 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2ccccc2n1CC#N ZINC001602867467 971730976 /nfs/dbraw/zinc/73/09/76/971730976.db2.gz CUCLLQOSCDMHLN-UHFFFAOYSA-N -1 0 327.384 2.738 20 30 EFEDRM CCOc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OCC ZINC001592426150 951329220 /nfs/dbraw/zinc/32/92/20/951329220.db2.gz NGJJRIHGAWQJNO-SGTLLEGYSA-N -1 0 348.399 2.666 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000382424023 971813150 /nfs/dbraw/zinc/81/31/50/971813150.db2.gz CFTDSVWQOBDVGF-UHFFFAOYSA-N -1 0 335.104 2.693 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001589267878 953380444 /nfs/dbraw/zinc/38/04/44/953380444.db2.gz FUJYLFVNRUVHRM-HOCLYGCPSA-N -1 0 344.411 2.677 20 30 EFEDRM O=C([O-])c1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)[nH]n1 ZINC001594800188 953731389 /nfs/dbraw/zinc/73/13/89/953731389.db2.gz HRWZDTOXRHUUHZ-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001589426299 954625007 /nfs/dbraw/zinc/62/50/07/954625007.db2.gz HDAQXNBVKDOBRG-ZFWWWQNUSA-N -1 0 332.400 2.731 20 30 EFEDRM CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1 ZINC001603002409 972045370 /nfs/dbraw/zinc/04/53/70/972045370.db2.gz PASPSQYKWLEZEN-FZKQIMNGSA-N -1 0 347.415 2.516 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603025711 972085546 /nfs/dbraw/zinc/08/55/46/972085546.db2.gz LJCAUXRREGLLKL-IYBDPMFKSA-N -1 0 329.400 2.589 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001589001752 955331779 /nfs/dbraw/zinc/33/17/79/955331779.db2.gz FIUBGEANHRRWNV-ZDUSSCGKSA-N -1 0 338.363 2.730 20 30 EFEDRM CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820261386 955467243 /nfs/dbraw/zinc/46/72/43/955467243.db2.gz ILCFAZRNGFQVLI-HNNXBMFYSA-N -1 0 337.763 2.632 20 30 EFEDRM CC(C)C[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC001603036826 972098716 /nfs/dbraw/zinc/09/87/16/972098716.db2.gz XYYBDJWGBPQZOE-CQSZACIVSA-N -1 0 333.388 2.966 20 30 EFEDRM C[C@H](CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001589028480 955508433 /nfs/dbraw/zinc/50/84/33/955508433.db2.gz GRSKLRRMXSCEJP-GFCCVEGCSA-N -1 0 342.351 2.523 20 30 EFEDRM C[C@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC001589057013 955705951 /nfs/dbraw/zinc/70/59/51/955705951.db2.gz VOHHPFBKLDICSG-LLVKDONJSA-N -1 0 343.408 2.807 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846796745 955732091 /nfs/dbraw/zinc/73/20/91/955732091.db2.gz MEEJVWSUIFQGLK-HZSPNIEDSA-N -1 0 344.411 2.956 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc(OC)c1OC ZINC000848450474 955736779 /nfs/dbraw/zinc/73/67/79/955736779.db2.gz FALZDIDPISPAOU-CQSZACIVSA-N -1 0 335.400 2.519 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848582128 955752474 /nfs/dbraw/zinc/75/24/74/955752474.db2.gz XASJAVBTRSQWKL-UHOFOFEASA-N -1 0 328.412 2.603 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1F ZINC000848591859 955765053 /nfs/dbraw/zinc/76/50/53/955765053.db2.gz YZUCMJFIFZMQMT-OCCSQVGLSA-N -1 0 340.782 2.809 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589078948 955837402 /nfs/dbraw/zinc/83/74/02/955837402.db2.gz GNFDYOFLDRLKMJ-KBXCAEBGSA-N -1 0 336.391 2.549 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC)[C@H](C)C(=O)[O-])cc1OC ZINC000852954701 955880134 /nfs/dbraw/zinc/88/01/34/955880134.db2.gz PTTBBMOUEPAQFN-AORWBKJGSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC)[C@@H](C)C(=O)[O-])cc1OC ZINC000852954703 955880170 /nfs/dbraw/zinc/88/01/70/955880170.db2.gz PTTBBMOUEPAQFN-FROQITRMSA-N -1 0 333.384 2.595 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(C#N)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108888 956052883 /nfs/dbraw/zinc/05/28/83/956052883.db2.gz PMNJYFCSANAWIS-TVYUQYBPSA-N -1 0 335.429 2.554 20 30 EFEDRM C[C@@](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589114043 956075729 /nfs/dbraw/zinc/07/57/29/956075729.db2.gz AXVMQUIRYQUOLD-QKLQHJQFSA-N -1 0 334.375 2.778 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594602318 956145336 /nfs/dbraw/zinc/14/53/36/956145336.db2.gz VGEZKQGIRBZJGU-QZTJIDSGSA-N -1 0 336.391 2.571 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594602319 956145765 /nfs/dbraw/zinc/14/57/65/956145765.db2.gz VGEZKQGIRBZJGU-ZWKOTPCHSA-N -1 0 336.391 2.571 20 30 EFEDRM CCC(CC)(CNC(=O)N(C)CCc1cccc(C#N)c1)C(=O)[O-] ZINC000874404066 956168033 /nfs/dbraw/zinc/16/80/33/956168033.db2.gz ANECALHCTNPJNA-UHFFFAOYSA-N -1 0 331.416 2.633 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001594605814 956172017 /nfs/dbraw/zinc/17/20/17/956172017.db2.gz JCFVRGACLYAMNR-QGZVFWFLSA-N -1 0 338.363 2.925 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001593931279 956184238 /nfs/dbraw/zinc/18/42/38/956184238.db2.gz ZUIVLGGGPJRJLH-QFBILLFUSA-N -1 0 338.363 2.770 20 30 EFEDRM N#CCCCOc1cccc(NCC2(O)CCC(C(=O)[O-])CC2)c1 ZINC001594608782 956187808 /nfs/dbraw/zinc/18/78/08/956187808.db2.gz BHVIPHASCHDNNY-UHFFFAOYSA-N -1 0 332.400 2.787 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001594609133 956191304 /nfs/dbraw/zinc/19/13/04/956191304.db2.gz QIABPBBMEKRYTR-XJKSGUPXSA-N -1 0 346.383 2.578 20 30 EFEDRM N#CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001594609685 956194005 /nfs/dbraw/zinc/19/40/05/956194005.db2.gz HGGZUPKOSHSPBH-UHFFFAOYSA-N -1 0 344.754 2.974 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594609682 956194426 /nfs/dbraw/zinc/19/44/26/956194426.db2.gz HCJAEIMUJPYQLK-HNNXBMFYSA-N -1 0 343.314 2.675 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001593934402 956213350 /nfs/dbraw/zinc/21/33/50/956213350.db2.gz VXQBEOALBZQXNN-SFHVURJKSA-N -1 0 325.320 2.620 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594611945 956223159 /nfs/dbraw/zinc/22/31/59/956223159.db2.gz ODVBFOVTNYLMDV-JKSUJKDBSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(F)cc1F ZINC001594616482 956241514 /nfs/dbraw/zinc/24/15/14/956241514.db2.gz URIMHUAVLTXYFB-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)cn1 ZINC001594617781 956255152 /nfs/dbraw/zinc/25/51/52/956255152.db2.gz LHXBWCZMAACGAL-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001594618145 956260778 /nfs/dbraw/zinc/26/07/78/956260778.db2.gz FOOJDVMZUFOXIY-SFHVURJKSA-N -1 0 346.386 2.800 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)Oc2ccccc2C(=O)[O-])c1 ZINC001594619784 956271363 /nfs/dbraw/zinc/27/13/63/956271363.db2.gz OPLYKTXPGXFXJC-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001594619973 956271806 /nfs/dbraw/zinc/27/18/06/956271806.db2.gz UQFINPCFADVHPE-UHFFFAOYSA-N -1 0 346.339 2.782 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001594620909 956280334 /nfs/dbraw/zinc/28/03/34/956280334.db2.gz VJDSIFBCKUIPLS-ONEGZZNKSA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1 ZINC001594621322 956283666 /nfs/dbraw/zinc/28/36/66/956283666.db2.gz HLAGNBRGZKVBAC-DLBZAZTESA-N -1 0 349.390 2.987 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001594623715 956298855 /nfs/dbraw/zinc/29/88/55/956298855.db2.gz GXZNQBOXBXRNHJ-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)NCCCC(=O)[O-])c2)nc1 ZINC001594625048 956306807 /nfs/dbraw/zinc/30/68/07/956306807.db2.gz IZLOVSKEWLRDDE-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM N#Cc1cccc(CNC(=O)CSCc2cccc(C(=O)[O-])c2)c1 ZINC001594625633 956312087 /nfs/dbraw/zinc/31/20/87/956312087.db2.gz MFQUATAXWODWDM-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001594626671 956318696 /nfs/dbraw/zinc/31/86/96/956318696.db2.gz FNOBMNJDQZORFN-INIZCTEOSA-N -1 0 344.367 2.732 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594626734 956319926 /nfs/dbraw/zinc/31/99/26/956319926.db2.gz GLBNUVLWNXJMLM-KRWDZBQOSA-N -1 0 335.363 2.743 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001594627034 956320899 /nfs/dbraw/zinc/32/08/99/956320899.db2.gz KMRDRXCVVIXDDQ-GOSISDBHSA-N -1 0 349.390 2.864 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cccnc3C(=O)[O-])on2)c1 ZINC001594627655 956324437 /nfs/dbraw/zinc/32/44/37/956324437.db2.gz SFPRBDURXBKGTK-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001594627671 956325049 /nfs/dbraw/zinc/32/50/49/956325049.db2.gz SOYBBTBPELCVTO-CQSZACIVSA-N -1 0 332.425 2.754 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001594628560 956331804 /nfs/dbraw/zinc/33/18/04/956331804.db2.gz CKTVZEMKROJOGS-QGZVFWFLSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594628641 956333527 /nfs/dbraw/zinc/33/35/27/956333527.db2.gz HQEABTPGPWWLFR-YESZJQIVSA-N -1 0 326.396 2.908 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c3ccccc31)C2 ZINC001594628662 956334905 /nfs/dbraw/zinc/33/49/05/956334905.db2.gz IZPMFKRYQPNEEI-SJLPKXTDSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594628943 956338680 /nfs/dbraw/zinc/33/86/80/956338680.db2.gz YBHZUOHBVSWQSU-ZDUSSCGKSA-N -1 0 336.338 2.896 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000901571928 956344494 /nfs/dbraw/zinc/34/44/94/956344494.db2.gz AWLXZVSHQAAVEJ-GFCCVEGCSA-N -1 0 325.368 2.757 20 30 EFEDRM N#Cc1cnc(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c2sccc21 ZINC001594632769 956354204 /nfs/dbraw/zinc/35/42/04/956354204.db2.gz BBNFUQDFEYCAHX-JKIHBJTHSA-N -1 0 343.408 2.992 20 30 EFEDRM N#Cc1cnc(N2CCC[C@@H](CCC(=O)[O-])C2)c(Br)c1 ZINC001594632829 956354355 /nfs/dbraw/zinc/35/43/55/956354355.db2.gz DLTCQCTVJCCVFG-JTQLQIEISA-N -1 0 338.205 2.797 20 30 EFEDRM C[C@@]1(C#N)CCCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589181866 956531088 /nfs/dbraw/zinc/53/10/88/956531088.db2.gz SRNSZTYXYGYMRS-SFHVURJKSA-N -1 0 331.416 2.706 20 30 EFEDRM COC[C@]1(C(=O)[O-])CCN(c2cc(C(F)(F)F)c(F)cc2C#N)C1 ZINC001593967126 956562637 /nfs/dbraw/zinc/56/26/37/956562637.db2.gz DQMIIPACGAKMIX-AWEZNQCLSA-N -1 0 346.280 2.644 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001589211116 956688878 /nfs/dbraw/zinc/68/88/78/956688878.db2.gz IXYIEQJTUQVCJC-IBGZPJMESA-N -1 0 326.396 2.765 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001589216957 956728717 /nfs/dbraw/zinc/72/87/17/956728717.db2.gz BRHCLNQXPIGTSB-FQEVSTJZSA-N -1 0 334.375 2.921 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000902697999 956772644 /nfs/dbraw/zinc/77/26/44/956772644.db2.gz GQKMKFLEQGRVBC-CQSZACIVSA-N -1 0 327.384 2.946 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013067857 956923628 /nfs/dbraw/zinc/92/36/28/956923628.db2.gz PTRQQFUBUPOZDU-UHFFFAOYSA-N -1 0 335.356 2.905 20 30 EFEDRM C[C@H](CN(C)C(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001603156140 972257455 /nfs/dbraw/zinc/25/74/55/972257455.db2.gz ZQIHTYUTRFRJBS-CYBMUJFWSA-N -1 0 327.384 2.738 20 30 EFEDRM C[C@](CNC(=O)Nc1cc(F)cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001603183852 972284607 /nfs/dbraw/zinc/28/46/07/972284607.db2.gz UUKUZRNKSSOFFX-GOSISDBHSA-N -1 0 341.342 2.861 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594274282 957705634 /nfs/dbraw/zinc/70/56/34/957705634.db2.gz XHPKUDWIKVHEHH-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000073507662 957737373 /nfs/dbraw/zinc/73/73/73/957737373.db2.gz HGYNNGANNGTTJE-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM C[C@](CNc1c(C#N)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001603193707 972299248 /nfs/dbraw/zinc/29/92/48/972299248.db2.gz QVFQYEBCMSHZRE-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588386385 957978196 /nfs/dbraw/zinc/97/81/96/957978196.db2.gz QFKSBCCOOSOBIN-FGTMMUONSA-N -1 0 334.375 2.973 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594311410 958027224 /nfs/dbraw/zinc/02/72/24/958027224.db2.gz SRIOIQVPLNBYBI-HWKANZROSA-N -1 0 328.299 2.995 20 30 EFEDRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001594317670 958086714 /nfs/dbraw/zinc/08/67/14/958086714.db2.gz OSYNSECPHBZYEU-BXUZGUMPSA-N -1 0 344.415 2.507 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 ZINC001588407379 958099856 /nfs/dbraw/zinc/09/98/56/958099856.db2.gz LHJJDXCDWQQUFR-HNNXBMFYSA-N -1 0 346.427 2.524 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001588409809 958132661 /nfs/dbraw/zinc/13/26/61/958132661.db2.gz KRWKWNMDGXUQRA-ZDUSSCGKSA-N -1 0 342.317 2.718 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001588410014 958134375 /nfs/dbraw/zinc/13/43/75/958134375.db2.gz NLLFWNRIFFBMRX-GOSISDBHSA-N -1 0 336.391 2.700 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC001588412405 958151656 /nfs/dbraw/zinc/15/16/56/958151656.db2.gz DOYHJIXRCHTSKB-UHFFFAOYSA-N -1 0 334.420 2.604 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC001588412967 958154704 /nfs/dbraw/zinc/15/47/04/958154704.db2.gz OQNUEMIFGUGWDC-LBPRGKRZSA-N -1 0 331.397 2.633 20 30 EFEDRM Cc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(C#N)cc1N(C)C ZINC001594325063 958158438 /nfs/dbraw/zinc/15/84/38/958158438.db2.gz WDJUMWUMTJXJTH-PLNGDYQASA-N -1 0 339.351 2.876 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2OC)s1 ZINC001588415960 958161030 /nfs/dbraw/zinc/16/10/30/958161030.db2.gz DSWYYWDQSLYPNG-UHFFFAOYSA-N -1 0 329.377 2.584 20 30 EFEDRM COc1cc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2cc1OC ZINC001594069704 958171179 /nfs/dbraw/zinc/17/11/79/958171179.db2.gz LKQUAMSRJCEMHO-GOSISDBHSA-N -1 0 342.351 2.800 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC001588418902 958187809 /nfs/dbraw/zinc/18/78/09/958187809.db2.gz JOWMXRZSDYSLPU-UHFFFAOYSA-N -1 0 341.338 2.565 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594075062 958210455 /nfs/dbraw/zinc/21/04/55/958210455.db2.gz NDBNRMBKEKPMFV-HNNXBMFYSA-N -1 0 343.314 2.653 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588432252 958277159 /nfs/dbraw/zinc/27/71/59/958277159.db2.gz HBBKRRBUTOWZBS-UHFFFAOYSA-N -1 0 340.354 2.869 20 30 EFEDRM C#CCSc1ccc(COC(=O)C2(CC(=O)[O-])CCOCC2)cc1 ZINC001588432714 958286213 /nfs/dbraw/zinc/28/62/13/958286213.db2.gz AERVZEFMISHLSN-UHFFFAOYSA-N -1 0 348.420 2.727 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001588433286 958294267 /nfs/dbraw/zinc/29/42/67/958294267.db2.gz IXJUHWYSMGFDRH-UHFFFAOYSA-N -1 0 329.396 2.740 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001588433307 958294767 /nfs/dbraw/zinc/29/47/67/958294767.db2.gz JKKASVRNXFMZCP-FPLPWBNLSA-N -1 0 326.304 2.746 20 30 EFEDRM C#Cc1ccc(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588439120 958311686 /nfs/dbraw/zinc/31/16/86/958311686.db2.gz OBVVTOVKDAGDKB-HXUWFJFHSA-N -1 0 336.391 2.510 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001588439168 958313376 /nfs/dbraw/zinc/31/33/76/958313376.db2.gz PESICPHYVLMVGN-QZTJIDSGSA-N -1 0 334.375 2.780 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001588439253 958314172 /nfs/dbraw/zinc/31/41/72/958314172.db2.gz PESICPHYVLMVGN-ROUUACIJSA-N -1 0 334.375 2.780 20 30 EFEDRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1C#N ZINC001594347732 958332045 /nfs/dbraw/zinc/33/20/45/958332045.db2.gz QVLKUCQMOPRMHS-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C#N ZINC001594093236 958378206 /nfs/dbraw/zinc/37/82/06/958378206.db2.gz HGHCGGYFMVNINY-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM C=CCC1(CNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCCC1 ZINC001588457478 958451008 /nfs/dbraw/zinc/45/10/08/958451008.db2.gz BUFVWZLENRMQLZ-UHFFFAOYSA-N -1 0 334.420 2.961 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc(Cl)cc1 ZINC001573317506 958451698 /nfs/dbraw/zinc/45/16/98/958451698.db2.gz BYAOHVDMGZGGFN-LNSITVRQSA-N -1 0 334.803 2.767 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001573317508 958451727 /nfs/dbraw/zinc/45/17/27/958451727.db2.gz BYAOHVDMGZGGFN-ZLDLUXBVSA-N -1 0 334.803 2.767 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001573318675 958467495 /nfs/dbraw/zinc/46/74/95/958467495.db2.gz QHZLDJXGYDNLEY-MRXNPFEDSA-N -1 0 329.396 2.948 20 30 EFEDRM COc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1C#N ZINC001594106647 958474724 /nfs/dbraw/zinc/47/47/24/958474724.db2.gz VAEBSUUUNKFCKF-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001573319681 958474677 /nfs/dbraw/zinc/47/46/77/958474677.db2.gz ZLWYDWNXECNFJU-UHFFFAOYSA-N -1 0 340.206 2.962 20 30 EFEDRM C#CCN(CC(=O)[O-])[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001573320845 958477848 /nfs/dbraw/zinc/47/78/48/958477848.db2.gz PKMVKOVNSDJNAI-GOSISDBHSA-N -1 0 347.374 2.846 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)nn1 ZINC001588460884 958479587 /nfs/dbraw/zinc/47/95/87/958479587.db2.gz YSJGFAPUPYNXNJ-UHFFFAOYSA-N -1 0 338.726 2.597 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccco2)nc2ccc(C)cc21 ZINC001573320866 958479952 /nfs/dbraw/zinc/47/99/52/958479952.db2.gz PSSFWYZTLVWNAT-UHFFFAOYSA-N -1 0 348.358 2.963 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(C)nc1Sc1ccccc1 ZINC001573321153 958481283 /nfs/dbraw/zinc/48/12/83/958481283.db2.gz UOLFWEKMRYWIOR-UHFFFAOYSA-N -1 0 340.404 2.701 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001594366353 958492698 /nfs/dbraw/zinc/49/26/98/958492698.db2.gz FFCVGLUYGMTVTF-HOCLYGCPSA-N -1 0 330.384 2.512 20 30 EFEDRM C=CCNc1ncc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC001588465206 958497748 /nfs/dbraw/zinc/49/77/48/958497748.db2.gz QOUKOKSBKBVCNE-CYBMUJFWSA-N -1 0 343.408 2.565 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001573330001 958514555 /nfs/dbraw/zinc/51/45/55/958514555.db2.gz ROLQCZYKCRGOFS-QAPCUYQASA-N -1 0 339.391 2.864 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001573337853 958525448 /nfs/dbraw/zinc/52/54/48/958525448.db2.gz VYYFMYXMZLPSAW-FPLPWBNLSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001573337852 958525898 /nfs/dbraw/zinc/52/58/98/958525898.db2.gz VYYFMYXMZLPSAW-BQYQJAHWSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cn2)c(OC)c1 ZINC001588470484 958528416 /nfs/dbraw/zinc/52/84/16/958528416.db2.gz ORRANXBCBKWZLE-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM CC#CCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588478751 958572804 /nfs/dbraw/zinc/57/28/04/958572804.db2.gz KPXXJAPFWIYFHX-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588479149 958578754 /nfs/dbraw/zinc/57/87/54/958578754.db2.gz ZOPBYAKGKFVNMX-AWEZNQCLSA-N -1 0 346.383 2.630 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128281844 958652296 /nfs/dbraw/zinc/65/22/96/958652296.db2.gz IBEWUTCFDWQEHQ-UHFFFAOYSA-N -1 0 325.162 2.681 20 30 EFEDRM Cc1cccc([C@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594397890 958789995 /nfs/dbraw/zinc/78/99/95/958789995.db2.gz ODPFGOOXABHZER-INIZCTEOSA-N -1 0 325.324 2.690 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001588538143 958939367 /nfs/dbraw/zinc/93/93/67/958939367.db2.gz CWOSFEOQBDEPNA-RDTXWAMCSA-N -1 0 340.383 2.621 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-c2ncco2)cc1F ZINC001588540183 958958992 /nfs/dbraw/zinc/95/89/92/958958992.db2.gz RETVFYKHFOMJNZ-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001588541661 958965097 /nfs/dbraw/zinc/96/50/97/958965097.db2.gz JUUHRMJZIWDKAA-INIZCTEOSA-N -1 0 349.293 2.779 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)cc(F)c1Br ZINC001588541900 958967504 /nfs/dbraw/zinc/96/75/04/958967504.db2.gz ODUOUMAGHZVGPZ-GFCCVEGCSA-N -1 0 347.115 2.670 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001588541936 958967843 /nfs/dbraw/zinc/96/78/43/958967843.db2.gz ONPPNRBQOCEPTJ-INIZCTEOSA-N -1 0 327.296 2.691 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588542194 958968891 /nfs/dbraw/zinc/96/88/91/958968891.db2.gz UFZSZNUQXSCALY-JVLSTEMRSA-N -1 0 341.194 2.970 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001588545131 958992864 /nfs/dbraw/zinc/99/28/64/958992864.db2.gz MUZBLEKQLOOTDT-LBPRGKRZSA-N -1 0 339.351 2.997 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000149987393 959032724 /nfs/dbraw/zinc/03/27/24/959032724.db2.gz KVXUMNMCBRHCCX-ZWNOBZJWSA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000149986976 959032957 /nfs/dbraw/zinc/03/29/57/959032957.db2.gz KVXUMNMCBRHCCX-MFKMUULPSA-N -1 0 338.201 2.535 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCn1c2ccccc2c2ccccc21 ZINC001588558218 959081637 /nfs/dbraw/zinc/08/16/37/959081637.db2.gz OUDMDBCRKVNNLV-FQEVSTJZSA-N -1 0 349.390 2.915 20 30 EFEDRM CC(C)C[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001573528783 959154763 /nfs/dbraw/zinc/15/47/63/959154763.db2.gz AMGFNQDVPOLOGL-LLVKDONJSA-N -1 0 339.189 2.550 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000162202871 959207324 /nfs/dbraw/zinc/20/73/24/959207324.db2.gz WJRSBUUBEOSGFT-UHFFFAOYSA-N -1 0 333.768 2.516 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588581711 959263768 /nfs/dbraw/zinc/26/37/68/959263768.db2.gz BNLABEDVVDDOAA-JTQLQIEISA-N -1 0 325.286 2.521 20 30 EFEDRM C[C@@H](C(=O)[O-])N(CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC001588592578 959352491 /nfs/dbraw/zinc/35/24/91/959352491.db2.gz AZPMDXXHWGASTP-ZDUSSCGKSA-N -1 0 339.395 2.675 20 30 EFEDRM C[C@H](C(=O)[O-])c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC001588602130 959433390 /nfs/dbraw/zinc/43/33/90/959433390.db2.gz FAMKNBVKMAGNFK-JTQLQIEISA-N -1 0 339.307 2.968 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001588607876 959497602 /nfs/dbraw/zinc/49/76/02/959497602.db2.gz WXPWCYVFAFZITK-GFCCVEGCSA-N -1 0 332.375 2.688 20 30 EFEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@@H](C)C(=O)[O-] ZINC001594262964 959716205 /nfs/dbraw/zinc/71/62/05/959716205.db2.gz ONIDIUKPLGKOHN-SECBINFHSA-N -1 0 326.805 2.932 20 30 EFEDRM C=C(C)CCC(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001123277185 960433171 /nfs/dbraw/zinc/43/31/71/960433171.db2.gz FJQOXTVIAJAQOW-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM N#CC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCCCC1 ZINC001187595048 960550058 /nfs/dbraw/zinc/55/00/58/960550058.db2.gz CEBWOGDJPIOKKV-UHFFFAOYSA-N -1 0 342.804 2.543 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574307659 960751302 /nfs/dbraw/zinc/75/13/02/960751302.db2.gz HNMOHRKFCFUAPR-SFHVURJKSA-N -1 0 340.354 2.799 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(C#N)c1Br ZINC001588764355 961245148 /nfs/dbraw/zinc/24/51/48/961245148.db2.gz FVNLTKSFHZWBCU-UHFFFAOYSA-N -1 0 339.189 2.694 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573920122 961526682 /nfs/dbraw/zinc/52/66/82/961526682.db2.gz DAQRLDPDABDZGO-YVMONPNESA-N -1 0 326.308 2.900 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2 ZINC001574466907 961576095 /nfs/dbraw/zinc/57/60/95/961576095.db2.gz LDPLXQOVSIVYKZ-UHFFFAOYSA-N -1 0 344.396 2.528 20 30 EFEDRM CC(C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC001588821613 961628922 /nfs/dbraw/zinc/62/89/22/961628922.db2.gz PGSALXFHTNWWNU-MRXNPFEDSA-N -1 0 331.416 2.835 20 30 EFEDRM N#C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Br)c1 ZINC001574474027 961635346 /nfs/dbraw/zinc/63/53/46/961635346.db2.gz IMHQYENUBYPUNX-LBPRGKRZSA-N -1 0 349.184 2.551 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)ccc12 ZINC001574479144 961646656 /nfs/dbraw/zinc/64/66/56/961646656.db2.gz FCOYQXQPTAZGEL-GFCCVEGCSA-N -1 0 325.368 2.757 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001574479115 961647512 /nfs/dbraw/zinc/64/75/12/961647512.db2.gz DBFMCOXZBHPARQ-SFHVURJKSA-N -1 0 349.390 2.646 20 30 EFEDRM N#CCC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001574480452 961664166 /nfs/dbraw/zinc/66/41/66/961664166.db2.gz JRLNSIKBXFXBMR-GVDBMIGSSA-N -1 0 341.411 2.784 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)nc1 ZINC001574488202 961694391 /nfs/dbraw/zinc/69/43/91/961694391.db2.gz MYPBYKGROKWVMS-UHFFFAOYSA-N -1 0 337.335 2.939 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991945 961837979 /nfs/dbraw/zinc/83/79/79/961837979.db2.gz YMBBXUZRVMUJDG-ROUUACIJSA-N -1 0 349.390 2.667 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001571173356 962069682 /nfs/dbraw/zinc/06/96/82/962069682.db2.gz RMPGBWFFQWRVMN-CLWVCHIJSA-N -1 0 326.396 2.717 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001571181043 962156782 /nfs/dbraw/zinc/15/67/82/962156782.db2.gz GDXFMHOCEXHDAP-JTQLQIEISA-N -1 0 329.312 2.590 20 30 EFEDRM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001571186885 962217397 /nfs/dbraw/zinc/21/73/97/962217397.db2.gz WXAVDVBIHALFEX-CMPLNLGQSA-N -1 0 329.381 2.716 20 30 EFEDRM COc1cc(CNC(=O)CC2(C#N)CCCCC2)ccc1C(=O)[O-] ZINC001571190605 962243925 /nfs/dbraw/zinc/24/39/25/962243925.db2.gz KJGIUDWKONJZGN-UHFFFAOYSA-N -1 0 330.384 2.874 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(C#N)c2)cc1 ZINC001571191568 962262535 /nfs/dbraw/zinc/26/25/35/962262535.db2.gz VWRCCMOTSYLCFZ-CQSZACIVSA-N -1 0 330.365 2.574 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001571198290 962332991 /nfs/dbraw/zinc/33/29/91/962332991.db2.gz CSFMLYYKARWBNG-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM O=C([O-])[C@]1(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCCO1 ZINC001574640760 962349893 /nfs/dbraw/zinc/34/98/93/962349893.db2.gz IGPXBXYBVCOWTR-GOSISDBHSA-N -1 0 341.388 2.720 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001571201457 962367622 /nfs/dbraw/zinc/36/76/22/962367622.db2.gz WWNBQMVPNKAOGR-ZWKOTPCHSA-N -1 0 332.359 2.902 20 30 EFEDRM COc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)ccc1C(=O)[O-] ZINC001571201723 962371610 /nfs/dbraw/zinc/37/16/10/962371610.db2.gz DCBVVCOHEAWIFB-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)COc1ccccc1C#N ZINC001571215119 962494599 /nfs/dbraw/zinc/49/45/99/962494599.db2.gz YBNJYEDBKBALRY-UHFFFAOYSA-N -1 0 332.400 2.532 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1F ZINC001571216180 962500249 /nfs/dbraw/zinc/50/02/49/962500249.db2.gz IHZNWPMHNFAWST-UHFFFAOYSA-N -1 0 334.253 2.604 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588936479 962508213 /nfs/dbraw/zinc/50/82/13/962508213.db2.gz SHQUPDAQAONEBJ-GXTWGEPZSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1C#N ZINC001588940483 962523156 /nfs/dbraw/zinc/52/31/56/962523156.db2.gz LJWBEEJLWFESIT-HIFRSBDPSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1C#N ZINC001588940485 962523207 /nfs/dbraw/zinc/52/32/07/962523207.db2.gz LJWBEEJLWFESIT-ZFWWWQNUSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1C#N ZINC001588940482 962524302 /nfs/dbraw/zinc/52/43/02/962524302.db2.gz LJWBEEJLWFESIT-DZGCQCFKSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1C#N ZINC001588940484 962524514 /nfs/dbraw/zinc/52/45/14/962524514.db2.gz LJWBEEJLWFESIT-UKRRQHHQSA-N -1 0 346.383 2.554 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])n1C)[C@@H]1CCCc2ccccc21 ZINC001573301515 962628184 /nfs/dbraw/zinc/62/81/84/962628184.db2.gz FMSKVTJXAPYECL-MRXNPFEDSA-N -1 0 336.391 2.876 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001573302109 962644747 /nfs/dbraw/zinc/64/47/47/962644747.db2.gz JBZSFJQEMIFJCB-SECBINFHSA-N -1 0 342.754 2.727 20 30 EFEDRM C#C[C@@H](Nc1ccc(C(=O)[O-])nn1)c1ccc(Br)cc1 ZINC001573302196 962645813 /nfs/dbraw/zinc/64/58/13/962645813.db2.gz KUMVFFODOLBQOG-LLVKDONJSA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001573302250 962647478 /nfs/dbraw/zinc/64/74/78/962647478.db2.gz LKBFZUABUQYOCX-ZWKOTPCHSA-N -1 0 334.375 2.755 20 30 EFEDRM C#C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccccc1 ZINC001573303011 962667725 /nfs/dbraw/zinc/66/77/25/962667725.db2.gz TYIFZGSRYRBKDG-INIZCTEOSA-N -1 0 332.359 2.899 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001573303232 962674116 /nfs/dbraw/zinc/67/41/16/962674116.db2.gz WLXMPUMIMSMDQX-CYBMUJFWSA-N -1 0 336.185 2.775 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)oc2c1)C(=O)[O-] ZINC001573303972 962682928 /nfs/dbraw/zinc/68/29/28/962682928.db2.gz VAXSEECUVGDCSF-OAHLLOKOSA-N -1 0 334.331 2.701 20 30 EFEDRM C#CCSCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001573312155 962719222 /nfs/dbraw/zinc/71/92/22/962719222.db2.gz NONAMBXDGNRNIB-UHFFFAOYSA-N -1 0 346.177 2.591 20 30 EFEDRM C#CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573312809 962726663 /nfs/dbraw/zinc/72/66/63/962726663.db2.gz ZHTOXKNBJQYVFH-PXNSSMCTSA-N -1 0 335.359 2.896 20 30 EFEDRM C#Cc1ccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC001573313613 962731597 /nfs/dbraw/zinc/73/15/97/962731597.db2.gz MDBVYGUNCYWDSF-OAHLLOKOSA-N -1 0 340.354 2.872 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001573313637 962734397 /nfs/dbraw/zinc/73/43/97/962734397.db2.gz NNZHZZQDPHUZGE-GOSISDBHSA-N -1 0 347.370 2.769 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573321984 962764462 /nfs/dbraw/zinc/76/44/62/962764462.db2.gz SRWCKDBYXDSFQK-GFCCVEGCSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001573329020 962810402 /nfs/dbraw/zinc/81/04/02/962810402.db2.gz VJRLVPMXYKWBMC-HNNXBMFYSA-N -1 0 325.430 2.583 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573344109 962913238 /nfs/dbraw/zinc/91/32/38/962913238.db2.gz OMKABSACDBAONV-NSHDSACASA-N -1 0 326.828 2.530 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)CC1 ZINC001573344376 962916022 /nfs/dbraw/zinc/91/60/22/962916022.db2.gz VGFUOUQIFMPOND-UHFFFAOYSA-N -1 0 341.404 2.857 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001573344417 962918481 /nfs/dbraw/zinc/91/84/81/962918481.db2.gz XFRZDKCKTUVYML-UHFFFAOYSA-N -1 0 325.773 2.569 20 30 EFEDRM C=C1CN(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C1 ZINC001573345542 962935482 /nfs/dbraw/zinc/93/54/82/962935482.db2.gz VKZOEBIYBKQTDP-UHFFFAOYSA-N -1 0 329.125 2.690 20 30 EFEDRM C=CC(C)(C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573347093 962945222 /nfs/dbraw/zinc/94/52/22/962945222.db2.gz IYUKBXKOBPWIJH-UHFFFAOYSA-N -1 0 329.356 2.784 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001573350989 962974559 /nfs/dbraw/zinc/97/45/59/962974559.db2.gz ONEZMAUKJMSSJD-BHYGNILZSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC001573356975 963011955 /nfs/dbraw/zinc/01/19/55/963011955.db2.gz HUBRQBTUDJSJIX-HNNXBMFYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001573357116 963013211 /nfs/dbraw/zinc/01/32/11/963013211.db2.gz JNIAFDWPQLUZMF-LPHOPBHVSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](C)CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573357810 963021951 /nfs/dbraw/zinc/02/19/51/963021951.db2.gz SVUQTVKPBGSCHZ-WFASDCNBSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001573360308 963035170 /nfs/dbraw/zinc/03/51/70/963035170.db2.gz LSSWVLFONYPANQ-UHFFFAOYSA-N -1 0 325.430 2.584 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccccc2)CC2(CCC2)C1)C(=O)[O-] ZINC001573368473 963080274 /nfs/dbraw/zinc/08/02/74/963080274.db2.gz FOKMEMWPHKPCLA-INIZCTEOSA-N -1 0 343.423 2.661 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573369074 963090769 /nfs/dbraw/zinc/09/07/69/963090769.db2.gz OBYPBZOYFFFGPW-BRWVUGGUSA-N -1 0 331.412 2.732 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001573379871 963111165 /nfs/dbraw/zinc/11/11/65/963111165.db2.gz ZWBMFFHMVDASCC-OCCSQVGLSA-N -1 0 334.372 2.637 20 30 EFEDRM N#Cc1ccc(Br)cc1OCc1ncccc1C(=O)[O-] ZINC000308003464 963248115 /nfs/dbraw/zinc/24/81/15/963248115.db2.gz JMGJPHUYRNAZAM-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM C=CCCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000314428975 963752236 /nfs/dbraw/zinc/75/22/36/963752236.db2.gz FNPAJGZKKRBGST-UHFFFAOYSA-N -1 0 325.411 2.844 20 30 EFEDRM C#CCCCCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588442666 964058510 /nfs/dbraw/zinc/05/85/10/964058510.db2.gz VRMHBICTJBFRCT-INIZCTEOSA-N -1 0 328.412 2.907 20 30 EFEDRM C#CCCCCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588446579 964076139 /nfs/dbraw/zinc/07/61/39/964076139.db2.gz QFXCQILAOWVJPM-UHFFFAOYSA-N -1 0 331.393 2.620 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001588447025 964081606 /nfs/dbraw/zinc/08/16/06/964081606.db2.gz QFUKBRJAVSVMEZ-SFHVURJKSA-N -1 0 330.432 2.501 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000311060226 967948725 /nfs/dbraw/zinc/94/87/25/967948725.db2.gz WVEFCHPZGBQPEP-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)c(C)cc1Br ZINC000311853891 967953280 /nfs/dbraw/zinc/95/32/80/967953280.db2.gz PHWXXTOKTPFYHL-UHFFFAOYSA-N -1 0 344.592 2.571 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000316105602 967977707 /nfs/dbraw/zinc/97/77/07/967977707.db2.gz KOORVSOYOTUFQT-UHFFFAOYSA-N -1 0 334.681 2.911 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H](CC)C(=O)[O-])cc1OC ZINC000846714841 969256616 /nfs/dbraw/zinc/25/66/16/969256616.db2.gz PVGFMFMFEVDCAM-PLWJUESGSA-N -1 0 333.384 2.595 20 30 EFEDRM CSc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1C#N ZINC000902732098 969559734 /nfs/dbraw/zinc/55/97/34/969559734.db2.gz WRZRZBLLNSDJOY-QGZVFWFLSA-N -1 0 330.409 2.707 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001341452836 969755107 /nfs/dbraw/zinc/75/51/07/969755107.db2.gz XSVODNYLXXDOSL-USXIJHARSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CCn1c(C)nnc1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001609636890 970430370 /nfs/dbraw/zinc/43/03/70/970430370.db2.gz QJPHBSNAYFBOOA-UHFFFAOYSA-N -1 0 326.400 2.855 20 30 EFEDRM C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001609903424 970598096 /nfs/dbraw/zinc/59/80/96/970598096.db2.gz CPEWFJXBVBEUSN-BONVTDFDSA-N -1 0 342.317 2.930 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3sccc3C(=O)[O-])n2)c1 ZINC001610631457 970757474 /nfs/dbraw/zinc/75/74/74/970757474.db2.gz PBSRCKDQXHEICN-UHFFFAOYSA-N -1 0 338.348 2.756 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000395496403 972802253 /nfs/dbraw/zinc/80/22/53/972802253.db2.gz INCZCIMHOYTRMN-UHFFFAOYSA-N -1 0 347.820 2.537 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001605244321 973006280 /nfs/dbraw/zinc/00/62/80/973006280.db2.gz CDKGSWLWBSOADF-PISNEZEASA-N -1 0 349.386 2.945 20 30 EFEDRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)cc1C#N ZINC001605252771 973015045 /nfs/dbraw/zinc/01/50/45/973015045.db2.gz CXPJLKMQSKLUDO-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM Cc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001605273598 973062629 /nfs/dbraw/zinc/06/26/29/973062629.db2.gz MVDFJTYRDIJVBD-ROUUACIJSA-N -1 0 349.390 2.979 20 30 EFEDRM Cc1cccc([C@H](NC(=O)C(F)(F)c2ccccc2C#N)C(=O)[O-])c1 ZINC001605328163 973177730 /nfs/dbraw/zinc/17/77/30/973177730.db2.gz LHBBIPYDFUYBDS-HNNXBMFYSA-N -1 0 344.317 2.901 20 30 EFEDRM C[C@H]1CCc2nc(NC(=O)Cc3ccccc3C(=O)[O-])c(C#N)cc2C1 ZINC001603438895 973210486 /nfs/dbraw/zinc/21/04/86/973210486.db2.gz GMHVBZPVSXLXFW-LBPRGKRZSA-N -1 0 349.390 2.957 20 30 EFEDRM C[C@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC001603440354 973224307 /nfs/dbraw/zinc/22/43/07/973224307.db2.gz WWLIIJLCYZUXPF-SMDDNHRTSA-N -1 0 339.313 2.626 20 30 EFEDRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605367064 973304456 /nfs/dbraw/zinc/30/44/56/973304456.db2.gz DFLJMERCBFGYDD-MRXNPFEDSA-N -1 0 346.774 2.777 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC001604461933 973308310 /nfs/dbraw/zinc/30/83/10/973308310.db2.gz NBARQNSBEQXKIO-DRTKUVKGSA-N -1 0 336.413 2.734 20 30 EFEDRM Cc1csc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001605386411 973356271 /nfs/dbraw/zinc/35/62/71/973356271.db2.gz YTBORRGHQYVUPN-ZDUSSCGKSA-N -1 0 329.381 2.746 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001603487754 973413755 /nfs/dbraw/zinc/41/37/55/973413755.db2.gz BBPOTDJGLCWLIY-WBVHZDCISA-N -1 0 344.411 2.875 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001603487752 973413890 /nfs/dbraw/zinc/41/38/90/973413890.db2.gz BBPOTDJGLCWLIY-NVXWUHKLSA-N -1 0 344.411 2.875 20 30 EFEDRM CCC(CC)(CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001603541982 973595090 /nfs/dbraw/zinc/59/50/90/973595090.db2.gz CGPPYUUPPIMGBM-UHFFFAOYSA-N -1 0 343.305 2.593 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001604661451 973834212 /nfs/dbraw/zinc/83/42/12/973834212.db2.gz MFIMPMRUVNUYGJ-INIZCTEOSA-N -1 0 326.352 2.531 20 30 EFEDRM N#CC(C(=O)C1(CC(=O)[O-])CCC1)c1cc(C(F)(F)F)ccn1 ZINC001605577039 973854030 /nfs/dbraw/zinc/85/40/30/973854030.db2.gz SRBOFTLTRQZMIQ-JTQLQIEISA-N -1 0 326.274 2.922 20 30 EFEDRM N#CC1(CCC[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)CCOCC1 ZINC001605577135 973855535 /nfs/dbraw/zinc/85/55/35/973855535.db2.gz XOEUNMUBCSOKCO-QGZVFWFLSA-N -1 0 328.412 2.771 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001605582682 973867722 /nfs/dbraw/zinc/86/77/22/973867722.db2.gz CUUBWCXZVCPLKW-MRVPVSSYSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001605586432 973882034 /nfs/dbraw/zinc/88/20/34/973882034.db2.gz VTVHSVFWVABUCR-UHFFFAOYSA-N -1 0 338.363 2.787 20 30 EFEDRM N#CCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CCCC1 ZINC001605586562 973882310 /nfs/dbraw/zinc/88/23/10/973882310.db2.gz ZPFAOVLKHKAQPG-AWEZNQCLSA-N -1 0 331.416 2.849 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)C1(C(=O)[O-])CCSCC1 ZINC001605591810 973889325 /nfs/dbraw/zinc/88/93/25/973889325.db2.gz AHWFJXMEDJTUGK-UHFFFAOYSA-N -1 0 339.800 2.853 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)nc1Cl ZINC001605597139 973894620 /nfs/dbraw/zinc/89/46/20/973894620.db2.gz ASYVGGRVUYCKAX-UHFFFAOYSA-N -1 0 329.743 2.876 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 ZINC001605597186 973896017 /nfs/dbraw/zinc/89/60/17/973896017.db2.gz FPNCTVQMTAMAPR-UONOGXRCSA-N -1 0 326.377 2.560 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605601567 973905210 /nfs/dbraw/zinc/90/52/10/973905210.db2.gz SNCHZJFWOREVRL-UONOGXRCSA-N -1 0 326.377 2.857 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605601568 973905307 /nfs/dbraw/zinc/90/53/07/973905307.db2.gz SNCHZJFWOREVRL-ZIAGYGMSSA-N -1 0 326.377 2.857 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001605601805 973907022 /nfs/dbraw/zinc/90/70/22/973907022.db2.gz DKZVTJSKEFAOPW-GFCCVEGCSA-N -1 0 349.818 2.998 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c3ccccc31)C2 ZINC001605612542 973926529 /nfs/dbraw/zinc/92/65/29/973926529.db2.gz PPEOKIBGZHOHJK-ROUUACIJSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccccc1COc1ccc(-c2nc(CC(=O)[O-])no2)cc1 ZINC001605619955 973941522 /nfs/dbraw/zinc/94/15/22/973941522.db2.gz MPWHBMPCXQVRMR-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM CCCCOC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001603648866 974010938 /nfs/dbraw/zinc/01/09/38/974010938.db2.gz QLSWFZQJHQOMDZ-QGZVFWFLSA-N -1 0 332.356 2.587 20 30 EFEDRM CCCN(CC(=O)[O-])[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001603666593 974036542 /nfs/dbraw/zinc/03/65/42/974036542.db2.gz HODOHODMYKMWRJ-MRXNPFEDSA-N -1 0 345.443 2.735 20 30 EFEDRM COc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C#N ZINC001604813259 974053659 /nfs/dbraw/zinc/05/36/59/974053659.db2.gz ZCEHWNWMJCLQQE-DDTOSNHZSA-N -1 0 345.399 2.824 20 30 EFEDRM COc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1C#N ZINC001604820459 974055179 /nfs/dbraw/zinc/05/51/79/974055179.db2.gz FJQZDHWLLUGKPE-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM CCN(C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)[C@H](C)C(=O)[O-] ZINC001603713875 974119713 /nfs/dbraw/zinc/11/97/13/974119713.db2.gz NHZWFIXVNUCOEW-BXKDBHETSA-N -1 0 343.305 2.666 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603857979 974359100 /nfs/dbraw/zinc/35/91/00/974359100.db2.gz YAQIAMMFVXINIS-YVMONPNESA-N -1 0 327.292 2.867 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604008176 974516548 /nfs/dbraw/zinc/51/65/48/974516548.db2.gz LPROONPCQMCFDZ-HNNXBMFYSA-N -1 0 340.383 2.757 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC001604025395 974550280 /nfs/dbraw/zinc/55/02/80/974550280.db2.gz VIJYZAMAABFMSL-CXAGYDPISA-N -1 0 338.354 2.716 20 30 EFEDRM C[C@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001592210167 977252219 /nfs/dbraw/zinc/25/22/19/977252219.db2.gz BCPIXUSUPVQIFR-BXKDBHETSA-N -1 0 339.189 2.583 20 30 EFEDRM C[C@H](CC#Cc1cccnc1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001592211199 977260071 /nfs/dbraw/zinc/26/00/71/977260071.db2.gz JTBMJHWBEXHOFO-CQSZACIVSA-N -1 0 339.347 2.532 20 30 EFEDRM C[C@@H](CC#N)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001592221851 977403199 /nfs/dbraw/zinc/40/31/99/977403199.db2.gz NYTAIINTHWQLLV-CABZTGNLSA-N -1 0 329.274 2.794 20 30 EFEDRM C[C@H](CC#N)N(C)Cc1cccc(C(=O)[O-])c1CN(C)[C@H](C)CC#N ZINC001592222537 977408083 /nfs/dbraw/zinc/40/80/83/977408083.db2.gz YBQYEEYDNIOQDN-HUUCEWRRSA-N -1 0 342.443 2.853 20 30 EFEDRM C[C@H](CC#N)N(C)Cc1c(CN(C)[C@@H](C)CC#N)cccc1C(=O)[O-] ZINC001592222538 977408525 /nfs/dbraw/zinc/40/85/25/977408525.db2.gz YBQYEEYDNIOQDN-LSDHHAIUSA-N -1 0 342.443 2.853 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001592225566 977410674 /nfs/dbraw/zinc/41/06/74/977410674.db2.gz BSGLMSMBVWUWDA-LLVKDONJSA-N -1 0 344.396 2.614 20 30 EFEDRM C[C@@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1c[nH]c2ccccc21 ZINC001592226780 977421757 /nfs/dbraw/zinc/42/17/57/977421757.db2.gz IIHYWPIWONFAEG-ZDUSSCGKSA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(C#N)ccc1F)c1ccncc1 ZINC001592289090 977604441 /nfs/dbraw/zinc/60/44/41/977604441.db2.gz CZYNSQSINRBLMQ-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(C#N)ccc1F)c1ccccn1 ZINC001592290683 977615438 /nfs/dbraw/zinc/61/54/38/977615438.db2.gz QSZFHTAMLUGILN-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccncc1 ZINC001592297114 977633486 /nfs/dbraw/zinc/63/34/86/977633486.db2.gz FMHMVGGEYVWKII-SQGPQFPESA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1ccccn1 ZINC001592298096 977643896 /nfs/dbraw/zinc/64/38/96/977643896.db2.gz QXHHLYCNPIRCIK-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccnc1 ZINC001592298163 977645065 /nfs/dbraw/zinc/64/50/65/977645065.db2.gz WETIAUBGKUDNCP-SQGPQFPESA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@H](CC1(C#N)CCOCC1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592458616 978171890 /nfs/dbraw/zinc/17/18/90/978171890.db2.gz BMAZQZFWZPGZFT-CYBMUJFWSA-N -1 0 342.399 2.632 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736202616 978308747 /nfs/dbraw/zinc/30/87/47/978308747.db2.gz OWQGZJQPYSIBRM-LBPRGKRZSA-N -1 0 330.388 2.608 20 30 EFEDRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592540193 978422339 /nfs/dbraw/zinc/42/23/39/978422339.db2.gz HRXUMGBSFKUOGI-CYBMUJFWSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000737704779 978433377 /nfs/dbraw/zinc/43/33/77/978433377.db2.gz LHSFXHTZMKHDKK-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM Cc1cc(C(=O)OCCCC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738217661 978502878 /nfs/dbraw/zinc/50/28/78/978502878.db2.gz MDGQQTCIGQSRDO-UHFFFAOYSA-N -1 0 326.352 2.987 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000781957194 978790942 /nfs/dbraw/zinc/79/09/42/978790942.db2.gz DPDYFIQMFJPWQG-NSHDSACASA-N -1 0 329.805 2.767 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])cs2)c1C ZINC000782205711 978791735 /nfs/dbraw/zinc/79/17/35/978791735.db2.gz ADOJMBHEYWADLA-SNAWJCMRSA-N -1 0 334.397 2.802 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000781959439 978791769 /nfs/dbraw/zinc/79/17/69/978791769.db2.gz ZUVGBZYHNRTBIG-JTQLQIEISA-N -1 0 329.805 2.767 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2ccnn2-c2ccc(F)cc2)nc1 ZINC000794525805 978813021 /nfs/dbraw/zinc/81/30/21/978813021.db2.gz HRMWURICAJWGAJ-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)SC1=S ZINC000794687070 978815415 /nfs/dbraw/zinc/81/54/15/978815415.db2.gz FNBIZHXPIITOMA-PEHNMLCRSA-N -1 0 349.433 2.926 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2-n2ccnn2)cc1 ZINC000794733720 978818264 /nfs/dbraw/zinc/81/82/64/978818264.db2.gz ZKSHEOQAIVEFAB-YFHOEESVSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2\COc3cc(F)ccc3C2=O)cc1 ZINC000794727777 978818458 /nfs/dbraw/zinc/81/84/58/978818458.db2.gz JPPWQBBEBRIJJZ-KPKJPENVSA-N -1 0 328.295 2.948 20 30 EFEDRM N#Cc1ccc(CNN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799882845 978844482 /nfs/dbraw/zinc/84/44/82/978844482.db2.gz GIODBLKSEKTUHP-UHFFFAOYSA-N -1 0 332.363 2.721 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000807991751 978851837 /nfs/dbraw/zinc/85/18/37/978851837.db2.gz SFBWLNWMIMPBIT-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2nccnc2C2CCC2)cc1 ZINC000807993950 978852233 /nfs/dbraw/zinc/85/22/33/978852233.db2.gz KDZQSOSHPHAOAG-UHFFFAOYSA-N -1 0 326.356 2.654 20 30 EFEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccc3)n2C)CC[C@@H]1CC(=O)[O-] ZINC000814805365 978886739 /nfs/dbraw/zinc/88/67/39/978886739.db2.gz CHYCBFAMAKCTJG-WCQYABFASA-N -1 0 327.388 2.771 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818625533 978920914 /nfs/dbraw/zinc/92/09/14/978920914.db2.gz ZKWBRUNUXFZJGM-INIZCTEOSA-N -1 0 330.428 2.811 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000820352719 978925645 /nfs/dbraw/zinc/92/56/45/978925645.db2.gz FKRVXPFCUIKOPL-LOWVWBTDSA-N -1 0 326.179 2.690 20 30 EFEDRM CC[C@H](C)n1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C1CC1 ZINC001595024234 979126389 /nfs/dbraw/zinc/12/63/89/979126389.db2.gz RFAZOSPFYWSDSL-LBPRGKRZSA-N -1 0 344.415 2.562 20 30 EFEDRM C[C@@](CNC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001592694659 979148866 /nfs/dbraw/zinc/14/88/66/979148866.db2.gz YCBGBOZAIJFQFK-SFHVURJKSA-N -1 0 342.782 2.984 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001595041733 979228434 /nfs/dbraw/zinc/22/84/34/979228434.db2.gz VUSMZDSXVBOZPR-UHFFFAOYSA-N -1 0 343.379 2.593 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)c(F)c1 ZINC000835011958 979245097 /nfs/dbraw/zinc/24/50/97/979245097.db2.gz LGKWZLUABGYTEG-UHFFFAOYSA-N -1 0 349.387 2.868 20 30 EFEDRM C[C@](CNc1cccc(C#N)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592730935 979252454 /nfs/dbraw/zinc/25/24/54/979252454.db2.gz ZYUHFOZRCWNKSW-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001595047979 979263175 /nfs/dbraw/zinc/26/31/75/979263175.db2.gz RMBVOOGPGBPUOD-LBPRGKRZSA-N -1 0 346.383 2.710 20 30 EFEDRM CCC(CC)(CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001595064721 979328567 /nfs/dbraw/zinc/32/85/67/979328567.db2.gz KYUFKUSQRDWKMX-INIZCTEOSA-N -1 0 346.427 2.969 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001592781499 979414948 /nfs/dbraw/zinc/41/49/48/979414948.db2.gz XXAKKLPTOIRGLO-CYBMUJFWSA-N -1 0 339.347 2.810 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001592833560 979570636 /nfs/dbraw/zinc/57/06/36/979570636.db2.gz HIMGVMPSKIEGRJ-JTQLQIEISA-N -1 0 329.381 2.555 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cc(C(=O)[O-])n(C)c2)no1 ZINC001592833795 979572315 /nfs/dbraw/zinc/57/23/15/979572315.db2.gz JZKYJEGLIFQPQS-LLVKDONJSA-N -1 0 336.351 2.991 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592834182 979573550 /nfs/dbraw/zinc/57/35/50/979573550.db2.gz MCGYVEDEKUTZFU-GFCCVEGCSA-N -1 0 340.354 2.891 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592834299 979575805 /nfs/dbraw/zinc/57/58/05/979575805.db2.gz OXBFCKHBIUECEZ-ZJOBFFGXSA-N -1 0 328.412 2.837 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001592834683 979578599 /nfs/dbraw/zinc/57/85/99/979578599.db2.gz UOQAZCODYBXKBZ-IFXJQAMLSA-N -1 0 348.402 2.947 20 30 EFEDRM CCOC(=O)NC1CCC(N=Nc2ccc(C(=O)[O-])cc2OC)CC1 ZINC000853324707 979606096 /nfs/dbraw/zinc/60/60/96/979606096.db2.gz CPQSPWASYLEFAH-UHFFFAOYSA-N -1 0 349.387 2.850 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC001592846907 979623233 /nfs/dbraw/zinc/62/32/33/979623233.db2.gz DPGLDRCTUNBYLI-SFHVURJKSA-N -1 0 344.317 2.652 20 30 EFEDRM CC[C@H](CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001595147221 979625229 /nfs/dbraw/zinc/62/52/29/979625229.db2.gz OPNXWGAWOMUVCY-PWSUYJOCSA-N -1 0 343.305 2.572 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)COc2ccccc2C#N)cc1)C(=O)[O-] ZINC001592859236 979681636 /nfs/dbraw/zinc/68/16/36/979681636.db2.gz QDXYWLPWVZUBQH-CYBMUJFWSA-N -1 0 338.363 2.839 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(=C)C)C(=O)[O-])cc1OC ZINC000864188923 979838531 /nfs/dbraw/zinc/83/85/31/979838531.db2.gz XTRANDYQVVPNAB-SOIVGHGOSA-N -1 0 345.395 2.809 20 30 EFEDRM C=CCOCCCC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864195230 979855975 /nfs/dbraw/zinc/85/59/75/979855975.db2.gz BKAAQDLZVFQNQQ-QGZVFWFLSA-N -1 0 339.819 2.825 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000864449570 979936257 /nfs/dbraw/zinc/93/62/57/979936257.db2.gz ORQGTRFOYJZKRB-SECBINFHSA-N -1 0 338.212 2.691 20 30 EFEDRM CC(Cn1nc(C)cc1C)=NOCc1cccc(C(=O)[O-])c1C#N ZINC001592929057 979953091 /nfs/dbraw/zinc/95/30/91/979953091.db2.gz AMOZMZRDQSVFCH-UHFFFAOYSA-N -1 0 326.356 2.663 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC000872703882 980082142 /nfs/dbraw/zinc/08/21/42/980082142.db2.gz MHVMLDSRJFYSET-GOEBONIOSA-N -1 0 335.375 2.753 20 30 EFEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1cc(C(=O)[O-])co1 ZINC000901233949 980260666 /nfs/dbraw/zinc/26/06/66/980260666.db2.gz AYDJXEQSGYYSET-NSHDSACASA-N -1 0 330.340 2.651 20 30 EFEDRM C[C@@](NC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593019845 980274282 /nfs/dbraw/zinc/27/42/82/980274282.db2.gz JBXJLOKHXONTCE-IBGZPJMESA-N -1 0 340.354 2.746 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)c(OC)c1)(C(=O)[O-])c1ccccc1 ZINC001595265745 980276366 /nfs/dbraw/zinc/27/63/66/980276366.db2.gz BDVCBGSWWLGGEZ-LJQANCHMSA-N -1 0 338.363 2.687 20 30 EFEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cc3n(n2)CCCC3)cc1)C(=O)[O-] ZINC000901562942 980383998 /nfs/dbraw/zinc/38/39/98/980383998.db2.gz HXCYJSLYDRHKKH-RSPDNQDQSA-N -1 0 340.379 2.967 20 30 EFEDRM C=CCOc1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1Cl ZINC000902002988 980681830 /nfs/dbraw/zinc/68/18/30/980681830.db2.gz UQWRHWOVFYDPFV-CYBMUJFWSA-N -1 0 325.792 2.580 20 30 EFEDRM CC[C@H](OC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595355693 980704468 /nfs/dbraw/zinc/70/44/68/980704468.db2.gz JOXOBBXJEIJYCZ-JKSUJKDBSA-N -1 0 331.368 2.965 20 30 EFEDRM N#C[C@]1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC2CCC1CC2 ZINC000902069795 980719634 /nfs/dbraw/zinc/71/96/34/980719634.db2.gz OVQFWQKPILYLDJ-BOTMVUQESA-N -1 0 338.407 2.917 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000903059647 980957942 /nfs/dbraw/zinc/95/79/42/980957942.db2.gz SRVHAXXEXCRPNN-NEPJUHHUSA-N -1 0 339.404 2.541 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000903059650 980957965 /nfs/dbraw/zinc/95/79/65/980957965.db2.gz SRVHAXXEXCRPNN-VXGBXAGGSA-N -1 0 339.404 2.541 20 30 EFEDRM CCC[C@@](C)(NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001595554010 981433792 /nfs/dbraw/zinc/43/37/92/981433792.db2.gz VRJFDIXOEJOBBX-QGZVFWFLSA-N -1 0 327.340 2.586 20 30 EFEDRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001594759605 981688421 /nfs/dbraw/zinc/68/84/21/981688421.db2.gz OWVGURFGXUUXLV-HNNXBMFYSA-N -1 0 325.324 2.795 20 30 EFEDRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001594762365 981698584 /nfs/dbraw/zinc/69/85/84/981698584.db2.gz VHUSDWNIXZGJHW-CQSZACIVSA-N -1 0 325.324 2.795 20 30 EFEDRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC001594766115 981720517 /nfs/dbraw/zinc/72/05/17/981720517.db2.gz TXJONGMCIUHHPP-YDRQLGOLSA-N -1 0 345.395 2.521 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594778636 981779862 /nfs/dbraw/zinc/77/98/62/981779862.db2.gz XMPBTQNTTVKWDY-ZDUSSCGKSA-N -1 0 326.146 2.993 20 30 EFEDRM CCCC[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001595637086 981926562 /nfs/dbraw/zinc/92/65/62/981926562.db2.gz OMVCFOWLPIJNCJ-NSHDSACASA-N -1 0 339.189 2.694 20 30 EFEDRM CCCCCCN(O)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001595709194 982291111 /nfs/dbraw/zinc/29/11/11/982291111.db2.gz VHBHLOXQGSYTJK-GFCCVEGCSA-N -1 0 346.424 2.543 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC001594901380 982355458 /nfs/dbraw/zinc/35/54/58/982355458.db2.gz GJPCBMNWRDLIMT-OTYXRUKQSA-N -1 0 340.832 2.919 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001594901362 982355673 /nfs/dbraw/zinc/35/56/73/982355673.db2.gz FXLJBKKFSBCRKB-XPTSAGLGSA-N -1 0 340.832 2.919 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001594901360 982355871 /nfs/dbraw/zinc/35/58/71/982355871.db2.gz FXLJBKKFSBCRKB-LKFCYVNXSA-N -1 0 340.832 2.919 20 30 EFEDRM CC[C@@H](C)[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001594927367 982524911 /nfs/dbraw/zinc/52/49/11/982524911.db2.gz SXWSJMRVMDIMON-GMSGAONNSA-N -1 0 330.262 2.628 20 30 EFEDRM CC[C@H](C)C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001594944540 982627525 /nfs/dbraw/zinc/62/75/25/982627525.db2.gz GPEOILGNVRPBQT-NHYWBVRUSA-N -1 0 341.367 2.832 20 30 EFEDRM CCCCn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1 ZINC001595804878 982629818 /nfs/dbraw/zinc/62/98/18/982629818.db2.gz LLBXXKIVDNGJTM-MRXNPFEDSA-N -1 0 341.367 2.846 20 30 EFEDRM CC[C@@H](C)C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001594945988 982637676 /nfs/dbraw/zinc/63/76/76/982637676.db2.gz UOTKZYQKGNMEBH-TZMCWYRMSA-N -1 0 327.384 2.784 20 30 EFEDRM CCCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H](C)C(=O)[O-] ZINC001595816033 982670124 /nfs/dbraw/zinc/67/01/24/982670124.db2.gz GPNNSKIQQBVQAO-ZDUSSCGKSA-N -1 0 349.456 2.682 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC2CCC1CC2 ZINC000923064205 982703121 /nfs/dbraw/zinc/70/31/21/982703121.db2.gz NCWLXQMREBXMHN-MUXCANPHSA-N -1 0 326.396 2.691 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CC12CCCC2 ZINC000923065777 982703656 /nfs/dbraw/zinc/70/36/56/982703656.db2.gz SUZHLKNEIBYYQW-KUHUBIRLSA-N -1 0 344.386 2.659 20 30 EFEDRM C[C@@](CNC(=O)[C@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923075978 982708183 /nfs/dbraw/zinc/70/81/83/982708183.db2.gz UBIYPNDURRKPTF-PKOBYXMFSA-N -1 0 326.396 2.619 20 30 EFEDRM CC[C@](C)(C#N)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000923077234 982708902 /nfs/dbraw/zinc/70/89/02/982708902.db2.gz LWVONKYTXBWGTK-CQSZACIVSA-N -1 0 339.189 2.703 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000923078691 982709943 /nfs/dbraw/zinc/70/99/43/982709943.db2.gz HYTUVDDMBRFPTR-VBQJREDUSA-N -1 0 334.803 2.906 20 30 EFEDRM N#CC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC000923081229 982711845 /nfs/dbraw/zinc/71/18/45/982711845.db2.gz QTBMCPTWQMIGEQ-UONOGXRCSA-N -1 0 332.787 2.660 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923082343 982712396 /nfs/dbraw/zinc/71/23/96/982712396.db2.gz QHXNJLGHFBHYMK-DJJJIMSYSA-N -1 0 342.395 2.801 20 30 EFEDRM N#C[C@@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC12CCCC2 ZINC000923083319 982713392 /nfs/dbraw/zinc/71/33/92/982713392.db2.gz ZYFWJNVJUODFRA-RZQQEMMASA-N -1 0 338.407 2.787 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC2CCC1CC2 ZINC000923083666 982714160 /nfs/dbraw/zinc/71/41/60/982714160.db2.gz QVTGGMBROOIHAI-SCSWLTEQSA-N -1 0 344.386 2.830 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC2CCC1CC2 ZINC000923083664 982714241 /nfs/dbraw/zinc/71/42/41/982714241.db2.gz QVTGGMBROOIHAI-QRFMQXIYSA-N -1 0 344.386 2.830 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1F)C(=O)[O-] ZINC000923098828 982723448 /nfs/dbraw/zinc/72/34/48/982723448.db2.gz QVCXLAQQDXEHMT-SNVBAGLBSA-N -1 0 332.331 2.700 20 30 EFEDRM N#C[C@@]1(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])CC2CCC1CC2 ZINC000923104914 982728075 /nfs/dbraw/zinc/72/80/75/982728075.db2.gz UKZCKMPFLYQKHJ-FSFDPXQMSA-N -1 0 344.386 2.658 20 30 EFEDRM C=CCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361727 983027145 /nfs/dbraw/zinc/02/71/45/983027145.db2.gz BCOHKJBCGPDNSY-CYBMUJFWSA-N -1 0 340.217 2.924 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588367452 983299514 /nfs/dbraw/zinc/29/95/14/983299514.db2.gz UJDJCIDDXLQLAE-UHFFFAOYSA-N -1 0 337.763 2.530 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367749 983301058 /nfs/dbraw/zinc/30/10/58/983301058.db2.gz BESQTKOFRQQTPU-SKDRFNHKSA-N -1 0 328.290 2.651 20 30 EFEDRM C#C[C@H](NC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])C(C)(C)C ZINC001588370711 983321786 /nfs/dbraw/zinc/32/17/86/983321786.db2.gz LMFGBDBXQWLEFX-HNNXBMFYSA-N -1 0 344.411 2.611 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588372105 983328075 /nfs/dbraw/zinc/32/80/75/983328075.db2.gz DEMAJZATQWFCPC-CMPLNLGQSA-N -1 0 329.381 2.576 20 30 EFEDRM C#C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC001588372502 983332032 /nfs/dbraw/zinc/33/20/32/983332032.db2.gz MBZYIUXKXYAUOJ-HNNXBMFYSA-N -1 0 332.375 2.834 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)C ZINC001588373042 983336339 /nfs/dbraw/zinc/33/63/39/983336339.db2.gz YTEAKDHXEWJFRF-ARFHVFGLSA-N -1 0 348.830 2.807 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)C(C)(C)C ZINC001588373357 983338017 /nfs/dbraw/zinc/33/80/17/983338017.db2.gz DURIHBFIBVGJBA-GFCCVEGCSA-N -1 0 338.201 2.925 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(C)(C)C ZINC001588373524 983338699 /nfs/dbraw/zinc/33/86/99/983338699.db2.gz GSMIPVKDSVTNRI-BXKDBHETSA-N -1 0 335.429 2.502 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCOCC1 ZINC001588374365 983343551 /nfs/dbraw/zinc/34/35/51/983343551.db2.gz VRWKWPMGGQGOSH-CQSZACIVSA-N -1 0 336.775 2.588 20 30 EFEDRM C#C[C@H](Nc1ncc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC001588375525 983345118 /nfs/dbraw/zinc/34/51/18/983345118.db2.gz AJZFZCVPMMLTJS-LBPRGKRZSA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588376400 983351554 /nfs/dbraw/zinc/35/15/54/983351554.db2.gz SZVCYQYFXZVBHZ-NSHDSACASA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC001588376991 983355104 /nfs/dbraw/zinc/35/51/04/983355104.db2.gz HYCZEGCJTYCDGU-IHRRRGAJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC001588376989 983355387 /nfs/dbraw/zinc/35/53/87/983355387.db2.gz HYCZEGCJTYCDGU-BFHYXJOUSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC001588377485 983357028 /nfs/dbraw/zinc/35/70/28/983357028.db2.gz MOYPMLFYYJHJGT-JKSUJKDBSA-N -1 0 342.420 2.779 20 30 EFEDRM C#C[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC001588377483 983357111 /nfs/dbraw/zinc/35/71/11/983357111.db2.gz MOYPMLFYYJHJGT-HOTGVXAUSA-N -1 0 342.420 2.779 20 30 EFEDRM C#CC1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001588382548 983372129 /nfs/dbraw/zinc/37/21/29/983372129.db2.gz CDTHTPOGFWCAFP-MRXNPFEDSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001588382700 983373207 /nfs/dbraw/zinc/37/32/07/983373207.db2.gz FCDDNAWDXDAEAP-LLVKDONJSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1CC(C)C ZINC001588390348 983393001 /nfs/dbraw/zinc/39/30/01/983393001.db2.gz RWRIXCSNZRACID-LSDHHAIUSA-N -1 0 346.475 2.782 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588395123 983404937 /nfs/dbraw/zinc/40/49/37/983404937.db2.gz PQEQATFDSZQPIA-QGZVFWFLSA-N -1 0 337.375 2.514 20 30 EFEDRM CCCC1N=NC(=S)N1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001596095406 983417683 /nfs/dbraw/zinc/41/76/83/983417683.db2.gz KUHVSOFDGSUMKV-UHFFFAOYSA-N -1 0 329.385 2.581 20 30 EFEDRM C#CC[C@@H](NC(=O)CCC(=O)c1ccc(CCCC)cc1)C(=O)[O-] ZINC001588407407 983428265 /nfs/dbraw/zinc/42/82/65/983428265.db2.gz ZTIHQIQYXPWWDV-MRXNPFEDSA-N -1 0 329.396 2.585 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1ccccc1Oc1ccc(C)cc1)C(=O)[O-] ZINC001588407498 983428358 /nfs/dbraw/zinc/42/83/58/983428358.db2.gz ISYWQHVNAJWKOO-QGZVFWFLSA-N -1 0 337.375 2.923 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC001588407710 983429081 /nfs/dbraw/zinc/42/90/81/983429081.db2.gz NCBZCTIZFUXMPE-NSHDSACASA-N -1 0 340.162 2.875 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001588413544 983431075 /nfs/dbraw/zinc/43/10/75/983431075.db2.gz APQVBNVPFHDWCK-INIZCTEOSA-N -1 0 344.798 2.954 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC001588413575 983431408 /nfs/dbraw/zinc/43/14/08/983431408.db2.gz BPJKNLOHUZJYRB-OAHLLOKOSA-N -1 0 328.755 2.608 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccccc1SCc1cscn1)C(=O)[O-] ZINC001588416463 983436743 /nfs/dbraw/zinc/43/67/43/983436743.db2.gz MRVBFZQVSYCLGN-CYBMUJFWSA-N -1 0 346.433 2.642 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC001588427594 983456781 /nfs/dbraw/zinc/45/67/81/983456781.db2.gz FAZCKROEIXHUKN-UHFFFAOYSA-N -1 0 336.775 2.732 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CCC1 ZINC001588427895 983458838 /nfs/dbraw/zinc/45/88/38/983458838.db2.gz QOOOUROJCQSMCV-UHFFFAOYSA-N -1 0 349.433 2.824 20 30 EFEDRM CCN(C(=O)[C@H](C#N)CCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596126523 983465669 /nfs/dbraw/zinc/46/56/69/983465669.db2.gz AUONNXMHUJZUPE-ZDUSSCGKSA-N -1 0 343.408 2.967 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CCCCC1 ZINC001588432044 983467185 /nfs/dbraw/zinc/46/71/85/983467185.db2.gz WAFQANWNIPXPAO-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588453609 983476456 /nfs/dbraw/zinc/47/64/56/983476456.db2.gz GYSFCBMXZFDDMT-UHFFFAOYSA-N -1 0 325.324 2.717 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001588455266 983479160 /nfs/dbraw/zinc/47/91/60/983479160.db2.gz JFSBIEUKNQMKGX-UHFFFAOYSA-N -1 0 329.396 2.948 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC001588455887 983480884 /nfs/dbraw/zinc/48/08/84/983480884.db2.gz VMSLZGJRJIWJIX-UHFFFAOYSA-N -1 0 335.359 2.990 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CSC1 ZINC001588459711 983485740 /nfs/dbraw/zinc/48/57/40/983485740.db2.gz IVONKICIKQQRNM-UHFFFAOYSA-N -1 0 336.438 2.689 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)C ZINC001588460342 983488152 /nfs/dbraw/zinc/48/81/52/983488152.db2.gz ZCKHVIKHRBHUGX-UHFFFAOYSA-N -1 0 340.326 2.904 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588470023 983504382 /nfs/dbraw/zinc/50/43/82/983504382.db2.gz ZILIMGVDYPBWMQ-LBPRGKRZSA-N -1 0 343.408 2.747 20 30 EFEDRM C#CCN(CN1Cc2ccc(C(=O)[O-])cc2C1=O)C1CCCCC1 ZINC001588470012 983504561 /nfs/dbraw/zinc/50/45/61/983504561.db2.gz YVHDOWCMPRFMAY-UHFFFAOYSA-N -1 0 326.396 2.566 20 30 EFEDRM C#CCOCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588491023 983534956 /nfs/dbraw/zinc/53/49/56/983534956.db2.gz BTMHKTNNBLARBV-UHFFFAOYSA-N -1 0 330.409 2.590 20 30 EFEDRM C#CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588504655 983548495 /nfs/dbraw/zinc/54/84/95/983548495.db2.gz HNRLCBDCPZJLOW-HNNXBMFYSA-N -1 0 333.453 2.983 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)n1 ZINC001588509469 983552896 /nfs/dbraw/zinc/55/28/96/983552896.db2.gz GWCNAOYVYVXTLU-UHFFFAOYSA-N -1 0 328.416 2.688 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001588510217 983554807 /nfs/dbraw/zinc/55/48/07/983554807.db2.gz ABPBSXQYKJEIFT-QRTARXTBSA-N -1 0 326.396 2.572 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])nc1 ZINC001588510354 983555415 /nfs/dbraw/zinc/55/54/15/983555415.db2.gz BAVFJXCPDFFMIT-SFHVURJKSA-N -1 0 342.782 2.532 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001588510478 983556134 /nfs/dbraw/zinc/55/61/34/983556134.db2.gz HOOVFOLEXKCNRT-AVGNSLFASA-N -1 0 347.440 2.532 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001588510479 983556137 /nfs/dbraw/zinc/55/61/37/983556137.db2.gz HOOVFOLEXKCNRT-JHJVBQTASA-N -1 0 347.440 2.532 20 30 EFEDRM C#C[C@H](OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccccc1 ZINC001588510524 983556187 /nfs/dbraw/zinc/55/61/87/983556187.db2.gz IPDALPLVZFFWNJ-HNNXBMFYSA-N -1 0 339.347 2.684 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001588511525 983559857 /nfs/dbraw/zinc/55/98/57/983559857.db2.gz XXMRIRWNVCGWLT-XCLFUZPHSA-N -1 0 334.375 2.670 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC001588516157 983560162 /nfs/dbraw/zinc/56/01/62/983560162.db2.gz BEEDPVYRSAJADN-GOSISDBHSA-N -1 0 332.359 2.575 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)cc1 ZINC001588516364 983560815 /nfs/dbraw/zinc/56/08/15/983560815.db2.gz IPKGSDZBMQGOOK-LLVKDONJSA-N -1 0 327.311 2.911 20 30 EFEDRM C#Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)cc1 ZINC001588517970 983567342 /nfs/dbraw/zinc/56/73/42/983567342.db2.gz KXPNLKAREOSNDB-UHFFFAOYSA-N -1 0 339.347 2.782 20 30 EFEDRM C#Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC001588522372 983571169 /nfs/dbraw/zinc/57/11/69/983571169.db2.gz UEOVEGCNZWJEMI-UHFFFAOYSA-N -1 0 332.359 2.706 20 30 EFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001588523511 983572334 /nfs/dbraw/zinc/57/23/34/983572334.db2.gz MTLBYIVJSQUKIG-UHFFFAOYSA-N -1 0 342.738 2.597 20 30 EFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC001588523550 983572774 /nfs/dbraw/zinc/57/27/74/983572774.db2.gz OBPMJZCKMSXEOZ-UHFFFAOYSA-N -1 0 342.376 2.622 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=Cc2cc(C(=O)[O-])c(CC)o2)c1 ZINC001588524108 983573799 /nfs/dbraw/zinc/57/37/99/983573799.db2.gz AIAASFVSKFBZRH-UHFFFAOYSA-N -1 0 341.392 2.842 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001588524527 983575388 /nfs/dbraw/zinc/57/53/88/983575388.db2.gz MWBBPDRSRANOJN-FGTMMUONSA-N -1 0 325.408 2.702 20 30 EFEDRM C=C(Br)CNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001588529178 983580263 /nfs/dbraw/zinc/58/02/63/983580263.db2.gz RGRZKYLJIUGTBL-UHFFFAOYSA-N -1 0 348.222 2.535 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC001588529287 983580664 /nfs/dbraw/zinc/58/06/64/983580664.db2.gz VGFDDOKKNUTSNZ-UHFFFAOYSA-N -1 0 332.262 2.615 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001588529455 983581733 /nfs/dbraw/zinc/58/17/33/983581733.db2.gz ZPHHEIATFZIZPU-UHFFFAOYSA-N -1 0 326.377 2.954 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588533893 983584717 /nfs/dbraw/zinc/58/47/17/983584717.db2.gz BVUCGGWOPHUWCO-CVEARBPZSA-N -1 0 332.400 2.507 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588535572 983589453 /nfs/dbraw/zinc/58/94/53/983589453.db2.gz JNFRUGDDYADLCU-CABZTGNLSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588535766 983590746 /nfs/dbraw/zinc/59/07/46/983590746.db2.gz LQPFPMLNQGHHCC-CHWSQXEVSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)[O-] ZINC001588541116 983606305 /nfs/dbraw/zinc/60/63/05/983606305.db2.gz SJFOIONVQWOENR-AWEZNQCLSA-N -1 0 343.383 2.595 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCn1c(CC)nc2ccccc21)C(=O)[O-] ZINC001588542986 983610333 /nfs/dbraw/zinc/61/03/33/983610333.db2.gz UVKCJNMNXHZMGH-CQSZACIVSA-N -1 0 329.400 2.524 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1c(F)cc(Br)cc1F)C(=O)[O-] ZINC001588543619 983612024 /nfs/dbraw/zinc/61/20/24/983612024.db2.gz LODYYMCQGFVMMK-JTQLQIEISA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)[O-] ZINC001588546200 983614227 /nfs/dbraw/zinc/61/42/27/983614227.db2.gz AMBNEODNCQSVHV-MRXNPFEDSA-N -1 0 339.395 2.999 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)[O-] ZINC001588546673 983616381 /nfs/dbraw/zinc/61/63/81/983616381.db2.gz PHGIFSCDQMACLC-MRXNPFEDSA-N -1 0 340.379 2.906 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588547699 983621326 /nfs/dbraw/zinc/62/13/26/983621326.db2.gz GIKOKAIVDSXTNV-CQSZACIVSA-N -1 0 345.786 2.946 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(=O)[O-] ZINC001588548354 983623979 /nfs/dbraw/zinc/62/39/79/983623979.db2.gz TYXDMKPXWHPEPY-LLVKDONJSA-N -1 0 336.413 2.554 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001596230155 983624079 /nfs/dbraw/zinc/62/40/79/983624079.db2.gz SVBPIURAZVPLFU-SECBINFHSA-N -1 0 341.770 2.597 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001596231911 983627406 /nfs/dbraw/zinc/62/74/06/983627406.db2.gz XGHRPBWUCNMHJK-LBPRGKRZSA-N -1 0 346.408 2.708 20 30 EFEDRM C=C(C)C[C@@H]1NC(=O)N(c2cccc(CSCCC(=O)[O-])c2)C1=O ZINC001588554281 983630136 /nfs/dbraw/zinc/63/01/36/983630136.db2.gz CHBSEXZYBZJNJT-AWEZNQCLSA-N -1 0 348.424 2.786 20 30 EFEDRM C=C(C)C[C@H](Nc1ccc2nnc(-c3ccsc3)n2n1)C(=O)[O-] ZINC001588554322 983630173 /nfs/dbraw/zinc/63/01/73/983630173.db2.gz DDXWQCTWBNQQBW-NSHDSACASA-N -1 0 329.385 2.684 20 30 EFEDRM C=C(C)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001588555141 983633002 /nfs/dbraw/zinc/63/30/02/983633002.db2.gz ZMDQTEYRXZWTFL-SECBINFHSA-N -1 0 330.138 2.584 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001588555706 983636683 /nfs/dbraw/zinc/63/66/83/983636683.db2.gz PQJIPYAZPNYEHO-CYBMUJFWSA-N -1 0 325.430 2.682 20 30 EFEDRM C=C(C)CCNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588558691 983638768 /nfs/dbraw/zinc/63/87/68/983638768.db2.gz AJTUUJAXRJZHFH-UHFFFAOYSA-N -1 0 341.205 2.913 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588562684 983643427 /nfs/dbraw/zinc/64/34/27/983643427.db2.gz FBUNJXLJNBNBON-UHFFFAOYSA-N -1 0 342.754 2.540 20 30 EFEDRM C=C(C)Cn1c(-c2coc(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588579120 983660625 /nfs/dbraw/zinc/66/06/25/983660625.db2.gz VKAPTZGHMCMFJC-UHFFFAOYSA-N -1 0 330.388 2.724 20 30 EFEDRM C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589937 983668443 /nfs/dbraw/zinc/66/84/43/983668443.db2.gz VAFPTYUGTPYLQM-INIZCTEOSA-N -1 0 347.444 2.587 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588591344 983672432 /nfs/dbraw/zinc/67/24/32/983672432.db2.gz HXJCIKSIAVJNSI-RYUDHWBXSA-N -1 0 340.374 2.668 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588592062 983675456 /nfs/dbraw/zinc/67/54/56/983675456.db2.gz QUNZXALOODBNEN-CYBMUJFWSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)c1cccc(N2C(=O)NC3(CCC(C(=O)[O-])CC3)C2=O)c1 ZINC001588605474 983693033 /nfs/dbraw/zinc/69/30/33/983693033.db2.gz IWEUSSYEAYERHH-UHFFFAOYSA-N -1 0 328.368 2.790 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001588606906 983698990 /nfs/dbraw/zinc/69/89/90/983698990.db2.gz LYZRICNKTWSMPF-LBPRGKRZSA-N -1 0 346.210 2.906 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001588613633 983704726 /nfs/dbraw/zinc/70/47/26/983704726.db2.gz ASMYVWISCARCSL-UHFFFAOYSA-N -1 0 335.375 2.754 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC001588614805 983708881 /nfs/dbraw/zinc/70/88/81/983708881.db2.gz CIUFGJGLAKZCCZ-OAHLLOKOSA-N -1 0 341.411 2.757 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001588615144 983710178 /nfs/dbraw/zinc/71/01/78/983710178.db2.gz LHFMTZZAFSKNPY-UHFFFAOYSA-N -1 0 336.476 2.766 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC001588615355 983711449 /nfs/dbraw/zinc/71/14/49/983711449.db2.gz RJQTWOHCPNKIDI-UHFFFAOYSA-N -1 0 336.819 2.800 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C(=O)OC)c1cccc2ccccc21 ZINC001588618958 983713873 /nfs/dbraw/zinc/71/38/73/983713873.db2.gz GLMXDHUWBSZASE-QGZVFWFLSA-N -1 0 341.363 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001588618998 983714232 /nfs/dbraw/zinc/71/42/32/983714232.db2.gz HNZZMAZBLRAQCW-MRXNPFEDSA-N -1 0 347.411 2.915 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C ZINC001588619062 983714537 /nfs/dbraw/zinc/71/45/37/983714537.db2.gz JOHNAQFNHRHMDV-CYBMUJFWSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001588619154 983715025 /nfs/dbraw/zinc/71/50/25/983715025.db2.gz MGYODMJYBVEVGU-LKFCYVNXSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F ZINC001588621571 983720192 /nfs/dbraw/zinc/72/01/92/983720192.db2.gz GVMWIBYVWUAXLG-CYBMUJFWSA-N -1 0 331.290 2.836 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001588622256 983723004 /nfs/dbraw/zinc/72/30/04/983723004.db2.gz SMQXLXKHJVTELW-HOTGVXAUSA-N -1 0 331.412 2.908 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001596299562 983724653 /nfs/dbraw/zinc/72/46/53/983724653.db2.gz PAGFLVILJHKIFA-UHFFFAOYSA-N -1 0 341.371 2.646 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@H]2C)cc1 ZINC001588629288 983736368 /nfs/dbraw/zinc/73/63/68/983736368.db2.gz FFCKYFUIOWTPCB-MLGOLLRUSA-N -1 0 330.384 2.807 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 ZINC001588629675 983738717 /nfs/dbraw/zinc/73/87/17/983738717.db2.gz QOGFFJAHHWOQFG-UHFFFAOYSA-N -1 0 332.400 2.965 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c(Cl)cccc1-n1ccnc1 ZINC001588629833 983739363 /nfs/dbraw/zinc/73/93/63/983739363.db2.gz KQXQBTWWBZIKHJ-UHFFFAOYSA-N -1 0 333.775 2.563 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(C)c(Br)c1 ZINC001588629853 983739894 /nfs/dbraw/zinc/73/98/94/983739894.db2.gz LDEZOVMUBBGSOZ-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001588630342 983743426 /nfs/dbraw/zinc/74/34/26/983743426.db2.gz IOMQQEIXQIATFQ-HIFRSBDPSA-N -1 0 341.766 2.846 20 30 EFEDRM C=C(CNC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001588636469 983754804 /nfs/dbraw/zinc/75/48/04/983754804.db2.gz HZAHSXNIMSUOPF-UHFFFAOYSA-N -1 0 337.379 2.561 20 30 EFEDRM C=C(CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001588637544 983760262 /nfs/dbraw/zinc/76/02/62/983760262.db2.gz PMXBLKVNWVHZJF-UHFFFAOYSA-N -1 0 326.308 2.736 20 30 EFEDRM C=C(CN[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588637628 983760661 /nfs/dbraw/zinc/76/06/61/983760661.db2.gz SGYUBJQIKBTPRR-QGZVFWFLSA-N -1 0 325.364 2.902 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001588644149 983768301 /nfs/dbraw/zinc/76/83/01/983768301.db2.gz DTFGZEBJOYINCA-TXEJJXNPSA-N -1 0 341.816 2.910 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588644330 983769375 /nfs/dbraw/zinc/76/93/75/983769375.db2.gz PVFGVFYKDWHGIU-OKILXGFUSA-N -1 0 330.384 2.786 20 30 EFEDRM C=C1CCC(C(=O)N2c3c(cccc3C(=O)[O-])NC(=O)[C@H]2C)CC1 ZINC001588644365 983769561 /nfs/dbraw/zinc/76/95/61/983769561.db2.gz RUFCPPFAGMOZCG-LLVKDONJSA-N -1 0 328.368 2.805 20 30 EFEDRM CCN(CCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001596335618 983781358 /nfs/dbraw/zinc/78/13/58/983781358.db2.gz TUTUWRWUVNHDFL-UHFFFAOYSA-N -1 0 347.415 2.603 20 30 EFEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1)c1ccccc1 ZINC001588661457 983786229 /nfs/dbraw/zinc/78/62/29/983786229.db2.gz IZVIESPPTULYAU-XLAORIBOSA-N -1 0 343.423 2.827 20 30 EFEDRM C=C[C@@H](C(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC001588663683 983795993 /nfs/dbraw/zinc/79/59/93/983795993.db2.gz JCSWTKYFCLPUMC-GFCCVEGCSA-N -1 0 331.397 2.854 20 30 EFEDRM C=C[C@H](C(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC001588663685 983796173 /nfs/dbraw/zinc/79/61/73/983796173.db2.gz JCSWTKYFCLPUMC-LBPRGKRZSA-N -1 0 331.397 2.854 20 30 EFEDRM C=C[C@H](C(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C)c1ccccc1 ZINC001588664688 983802696 /nfs/dbraw/zinc/80/26/96/983802696.db2.gz TUVRAOVVXRSOIG-KHYOSLBOSA-N -1 0 331.412 2.731 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588672917 983827955 /nfs/dbraw/zinc/82/79/55/983827955.db2.gz DQGAYQVEEWFQLX-ZDUSSCGKSA-N -1 0 346.427 2.922 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588676912 983832429 /nfs/dbraw/zinc/83/24/29/983832429.db2.gz KELUSGBSIXZZKQ-UHFFFAOYSA-N -1 0 335.404 2.864 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001588677246 983834655 /nfs/dbraw/zinc/83/46/55/983834655.db2.gz YZZGSXJRCNLYRN-UHFFFAOYSA-N -1 0 332.400 2.659 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001588677238 983834920 /nfs/dbraw/zinc/83/49/20/983834920.db2.gz YOZZWIADBIBHNN-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CCC(C(=O)[O-])CC2)n1CC1CC1 ZINC001588681035 983837092 /nfs/dbraw/zinc/83/70/92/983837092.db2.gz MUNRHSFULKIRLO-UHFFFAOYSA-N -1 0 332.448 2.744 20 30 EFEDRM C=CC(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588681536 983839792 /nfs/dbraw/zinc/83/97/92/983839792.db2.gz YMOABKSOHGIRKZ-UHFFFAOYSA-N -1 0 337.319 2.647 20 30 EFEDRM C=C[C@H](N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] ZINC001588694865 983898966 /nfs/dbraw/zinc/89/89/66/983898966.db2.gz FNPOBAQVRDQJKL-RYUDHWBXSA-N -1 0 343.210 2.718 20 30 EFEDRM C=C[C@H](NCc1c(F)c(F)c(Br)c(F)c1F)C(=O)[O-] ZINC001588701579 983915142 /nfs/dbraw/zinc/91/51/42/983915142.db2.gz SVFJGEPTQUBSDC-YFKPBYRVSA-N -1 0 342.086 2.734 20 30 EFEDRM C=C[C@H](Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(=O)[O-] ZINC001588702309 983919859 /nfs/dbraw/zinc/91/98/59/983919859.db2.gz PSPNNBLHDHEKBP-HNNXBMFYSA-N -1 0 326.400 2.646 20 30 EFEDRM C=C[C@H](Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001588702549 983921049 /nfs/dbraw/zinc/92/10/49/983921049.db2.gz UJSNIZIDVQQAHZ-KRWDZBQOSA-N -1 0 349.394 2.634 20 30 EFEDRM C=C[C@H](OC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)C(=O)[O-] ZINC001588713546 983949688 /nfs/dbraw/zinc/94/96/88/983949688.db2.gz YLEUNRNSLITYHG-AWEZNQCLSA-N -1 0 333.384 2.601 20 30 EFEDRM C=C[C@@H](Sc1nnc(COc2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001588714291 983951138 /nfs/dbraw/zinc/95/11/38/983951138.db2.gz FGBJNGMPZJLFGM-CYBMUJFWSA-N -1 0 333.413 2.917 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2cc(Cl)ccc2Cl)n1N)C(=O)[O-] ZINC001588714483 983951778 /nfs/dbraw/zinc/95/17/78/983951778.db2.gz HLTKHIHFWKCXHH-VIFPVBQESA-N -1 0 345.211 2.697 20 30 EFEDRM C=C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)[O-] ZINC001588715280 983955001 /nfs/dbraw/zinc/95/50/01/983955001.db2.gz UNKIDPLIQJJUJP-AWEZNQCLSA-N -1 0 328.393 2.858 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001588718879 983958060 /nfs/dbraw/zinc/95/80/60/983958060.db2.gz IJCWYZQCXDLSSU-LBPRGKRZSA-N -1 0 334.372 2.974 20 30 EFEDRM C=CC1(CC(=O)Nc2c(C(=O)[O-])c[nH]c2C(=O)OC)CCCCC1 ZINC001588718885 983958293 /nfs/dbraw/zinc/95/82/93/983958293.db2.gz INKOFSRXLXPMHO-UHFFFAOYSA-N -1 0 334.372 2.965 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001588719242 983959835 /nfs/dbraw/zinc/95/98/35/983959835.db2.gz OAGDSSHFPFJTRA-WDEREUQCSA-N -1 0 335.429 2.905 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588719314 983959883 /nfs/dbraw/zinc/95/98/83/983959883.db2.gz OZVVZPVXIUBUNA-DLOXAQCQSA-N -1 0 338.473 2.866 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC001588728177 983980641 /nfs/dbraw/zinc/98/06/41/983980641.db2.gz IEUQIOQYSOVSTM-ZDUSSCGKSA-N -1 0 344.333 2.995 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001588732290 984017014 /nfs/dbraw/zinc/01/70/14/984017014.db2.gz YSMUFUFRLFMLKO-UONOGXRCSA-N -1 0 345.317 2.988 20 30 EFEDRM C=CC[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccncc1 ZINC001588743088 984035910 /nfs/dbraw/zinc/03/59/10/984035910.db2.gz RCJKSTMDEPGMIN-GPMSIDNRSA-N -1 0 343.427 2.985 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588744568 984044203 /nfs/dbraw/zinc/04/42/03/984044203.db2.gz PAGINKAKLBQTFC-YESZJQIVSA-N -1 0 331.412 2.702 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001588745042 984048100 /nfs/dbraw/zinc/04/81/00/984048100.db2.gz UEZAVLLKGDBFOU-YESZJQIVSA-N -1 0 331.412 2.560 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001588745242 984050098 /nfs/dbraw/zinc/05/00/98/984050098.db2.gz WLPADKHTMGWDPT-OAHLLOKOSA-N -1 0 345.420 2.851 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC001588750518 984071877 /nfs/dbraw/zinc/07/18/77/984071877.db2.gz FMVQPMQAKKASOV-LDYMZIIASA-N -1 0 348.321 2.738 20 30 EFEDRM C=CC[C@@H](OC(=O)C1(Cc2cccc(F)c2)CCOCC1)C(=O)[O-] ZINC001588751404 984076620 /nfs/dbraw/zinc/07/66/20/984076620.db2.gz MKGRLONEHZXAOA-OAHLLOKOSA-N -1 0 336.359 2.738 20 30 EFEDRM C=CC[C@@H](OC(=O)Cc1csc(-n2c(C)ccc2C)n1)C(=O)[O-] ZINC001588753753 984088926 /nfs/dbraw/zinc/08/89/26/984088926.db2.gz MUGGKOFVQAKYAV-CYBMUJFWSA-N -1 0 334.397 2.666 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(=O)[O-] ZINC001588755690 984095222 /nfs/dbraw/zinc/09/52/22/984095222.db2.gz CKYFFEBBGXRPQG-INIZCTEOSA-N -1 0 345.395 2.679 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cccc(COC2CCOCC2)c1)C(=O)[O-] ZINC001588756106 984096661 /nfs/dbraw/zinc/09/66/61/984096661.db2.gz HKZWAUQEKWITKD-MRXNPFEDSA-N -1 0 334.368 2.568 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(NC(=O)OC)cc1Cl)C(=O)[O-] ZINC001588756938 984100048 /nfs/dbraw/zinc/10/00/48/984100048.db2.gz QIOBABBZDKGYEN-NSHDSACASA-N -1 0 327.720 2.704 20 30 EFEDRM C=CCC1(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])CCCCC1 ZINC001588762932 984117280 /nfs/dbraw/zinc/11/72/80/984117280.db2.gz ODEFQYVVDQILDK-INIZCTEOSA-N -1 0 330.428 2.968 20 30 EFEDRM C=CCC1(NC(=O)NCc2cccc(OCC(=O)[O-])c2)CCCC1 ZINC001588767049 984127716 /nfs/dbraw/zinc/12/77/16/984127716.db2.gz GFKKVKUQSFFAHK-UHFFFAOYSA-N -1 0 332.400 2.838 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CCCC1 ZINC001588767100 984128339 /nfs/dbraw/zinc/12/83/39/984128339.db2.gz JGPMNXBLSIUPRJ-UHFFFAOYSA-N -1 0 336.413 2.638 20 30 EFEDRM C=CC[C@@]1(C(=O)O[C@H](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588767219 984128670 /nfs/dbraw/zinc/12/86/70/984128670.db2.gz PKNBQVSKJLBWES-PXAZEXFGSA-N -1 0 341.404 2.739 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001588768791 984131041 /nfs/dbraw/zinc/13/10/41/984131041.db2.gz GFGLORIEKJZGGF-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001588768938 984131803 /nfs/dbraw/zinc/13/18/03/984131803.db2.gz HVEFDIVCLSWYPO-UHFFFAOYSA-N -1 0 340.326 2.598 20 30 EFEDRM C=CCC1(O)CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC001588769388 984133501 /nfs/dbraw/zinc/13/35/01/984133501.db2.gz SXEVYAZXPMHOCF-ZDUSSCGKSA-N -1 0 349.452 2.795 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001588771427 984139665 /nfs/dbraw/zinc/13/96/65/984139665.db2.gz UEVDSJRTENRBIC-DWBBHFSCSA-N -1 0 334.416 2.687 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC001588772503 984143069 /nfs/dbraw/zinc/14/30/69/984143069.db2.gz GTAOXMUIKLWGFP-GFCCVEGCSA-N -1 0 341.404 2.809 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC001588773292 984147702 /nfs/dbraw/zinc/14/77/02/984147702.db2.gz ZUPAZGAVMDKMQV-SECBINFHSA-N -1 0 347.795 2.764 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001588776690 984152373 /nfs/dbraw/zinc/15/23/73/984152373.db2.gz BOJWMULHEALTRF-UHFFFAOYSA-N -1 0 325.434 2.675 20 30 EFEDRM C=CCC[C@H](C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588777165 984155599 /nfs/dbraw/zinc/15/55/99/984155599.db2.gz VGKPBGOPDIJOGH-ABSDTBQOSA-N -1 0 343.423 2.686 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001588778028 984158887 /nfs/dbraw/zinc/15/88/87/984158887.db2.gz QDYCCKACRSBNMC-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778574 984161545 /nfs/dbraw/zinc/16/15/45/984161545.db2.gz FHKMIRGASNXYLO-OWCLPIDISA-N -1 0 337.441 2.867 20 30 EFEDRM C=CCC[C@H](O)CN(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588779348 984165179 /nfs/dbraw/zinc/16/51/79/984165179.db2.gz WQGSKTBBWNMJJZ-JOYOIKCWSA-N -1 0 348.262 2.895 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001588781567 984167093 /nfs/dbraw/zinc/16/70/93/984167093.db2.gz CCOUJAHMQZXYFY-HNNXBMFYSA-N -1 0 349.452 2.922 20 30 EFEDRM C=CCC[C@@H]1NC(=O)N(c2cc(Cl)c(F)c(C(=O)[O-])c2)C1=O ZINC001588781736 984167946 /nfs/dbraw/zinc/16/79/46/984167946.db2.gz FPGJPTXDJVVGQE-JTQLQIEISA-N -1 0 326.711 2.568 20 30 EFEDRM C=CCC[C@@H]1NC(=O)N(c2cccc(CSCCC(=O)[O-])c2)C1=O ZINC001588781879 984169215 /nfs/dbraw/zinc/16/92/15/984169215.db2.gz KLZZDNMGZRHLDX-AWEZNQCLSA-N -1 0 348.424 2.786 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001588783104 984176840 /nfs/dbraw/zinc/17/68/40/984176840.db2.gz XWXARFAWGRCLPN-QWHCGFSZSA-N -1 0 332.400 2.674 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1cccc(OC)c1)C(=O)[O-] ZINC001588784806 984178352 /nfs/dbraw/zinc/17/83/52/984178352.db2.gz BQFDCQCCZDQUPE-ZDUSSCGKSA-N -1 0 327.327 2.713 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001588786137 984183015 /nfs/dbraw/zinc/18/30/15/984183015.db2.gz MTJGNZKTCOOTFS-RDJZCZTQSA-N -1 0 344.411 2.887 20 30 EFEDRM C=CCCC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001588788584 984190932 /nfs/dbraw/zinc/19/09/32/984190932.db2.gz HSUCYIFWBILAJA-QGZVFWFLSA-N -1 0 331.412 2.870 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788602 984191792 /nfs/dbraw/zinc/19/17/92/984191792.db2.gz IEMWVLBUCIVHPM-CQSZACIVSA-N -1 0 339.338 2.853 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)[O-] ZINC001588788836 984193812 /nfs/dbraw/zinc/19/38/12/984193812.db2.gz PHCDGIZPBBOCLX-QGZVFWFLSA-N -1 0 326.396 2.946 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cn1)C(=O)[O-] ZINC001588788945 984194514 /nfs/dbraw/zinc/19/45/14/984194514.db2.gz SHGYNTRHDJJDIB-CYBMUJFWSA-N -1 0 338.791 2.624 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1ccc(Br)s1)C(=O)[O-] ZINC001588789145 984196950 /nfs/dbraw/zinc/19/69/50/984196950.db2.gz ZTBXHZJPLCFEMN-JTQLQIEISA-N -1 0 346.246 2.979 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)cnc1F)C(=O)[O-] ZINC001588792349 984208341 /nfs/dbraw/zinc/20/83/41/984208341.db2.gz DPFWSFKWWIDTLT-JTQLQIEISA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001588792649 984211276 /nfs/dbraw/zinc/21/12/76/984211276.db2.gz KTWLGFBUKUJWQO-LBPRGKRZSA-N -1 0 326.190 2.988 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1NC(=O)C1CC1)C(=O)[O-] ZINC001588793166 984216605 /nfs/dbraw/zinc/21/66/05/984216605.db2.gz LXRPNGDCFIPUAS-OAHLLOKOSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(SC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588793277 984217791 /nfs/dbraw/zinc/21/77/91/984217791.db2.gz VKHPGNRTHVTREG-GFCCVEGCSA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1-c1nc(C)no1)C(=O)[O-] ZINC001588793530 984219534 /nfs/dbraw/zinc/21/95/34/984219534.db2.gz SDOPGSRWKYFTJE-AWEZNQCLSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1-c1nc(C)no1)C(=O)[O-] ZINC001588793533 984219897 /nfs/dbraw/zinc/21/98/97/984219897.db2.gz SDOPGSRWKYFTJE-CQSZACIVSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C(=O)c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588793572 984219975 /nfs/dbraw/zinc/21/99/75/984219975.db2.gz ZKXHOPIPJNVUOC-OAHLLOKOSA-N -1 0 340.379 2.785 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588793738 984221428 /nfs/dbraw/zinc/22/14/28/984221428.db2.gz ZNJJUVUZDUEUQF-NSHDSACASA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc2c(C)cc(F)cc2c1O)C(=O)[O-] ZINC001588793938 984223215 /nfs/dbraw/zinc/22/32/15/984223215.db2.gz GNPGXIVJJVPJIE-AWEZNQCLSA-N -1 0 346.358 2.515 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C(F)F)nc2ccccn21)C(=O)[O-] ZINC001588794047 984224202 /nfs/dbraw/zinc/22/42/02/984224202.db2.gz JVTJNNKLXACVFV-SNVBAGLBSA-N -1 0 337.326 2.811 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC001588794345 984226403 /nfs/dbraw/zinc/22/64/03/984226403.db2.gz RMCKFJRZLLFLEA-LPHOPBHVSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1csc(-c2ncccc2F)n1)C(=O)[O-] ZINC001588797688 984230589 /nfs/dbraw/zinc/23/05/89/984230589.db2.gz JCNWKGKINHSTEJ-LLVKDONJSA-N -1 0 349.387 2.884 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001588798631 984237683 /nfs/dbraw/zinc/23/76/83/984237683.db2.gz MFBHHGJQRUQABO-HNNXBMFYSA-N -1 0 325.430 2.898 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC001588798870 984239252 /nfs/dbraw/zinc/23/92/52/984239252.db2.gz SYDLINDVHWRZCQ-CQSZACIVSA-N -1 0 325.430 2.700 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(C)cc2cccnc21)C(=O)[O-] ZINC001588798979 984239932 /nfs/dbraw/zinc/23/99/32/984239932.db2.gz WWTSPLPIFGNNLR-CQSZACIVSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCCCCN(C)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588800006 984243576 /nfs/dbraw/zinc/24/35/76/984243576.db2.gz WCAMDJOCGCSQMF-CYBMUJFWSA-N -1 0 334.420 2.804 20 30 EFEDRM C=CCCCN(CC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001588801758 984247636 /nfs/dbraw/zinc/24/76/36/984247636.db2.gz ZISQDVWETQXXGN-CYBMUJFWSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588803650 984251354 /nfs/dbraw/zinc/25/13/54/984251354.db2.gz APOIMJMEVGERCY-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001588814513 984270916 /nfs/dbraw/zinc/27/09/16/984270916.db2.gz BHDOWGBRXIONCH-DLBZAZTESA-N -1 0 349.452 2.537 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001588814780 984272638 /nfs/dbraw/zinc/27/26/38/984272638.db2.gz QRPYKLVLSNGIQT-INIZCTEOSA-N -1 0 337.441 2.823 20 30 EFEDRM C=CCCSCCNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588814850 984273247 /nfs/dbraw/zinc/27/32/47/984273247.db2.gz UPEKSKOWRPJMKX-UHFFFAOYSA-N -1 0 334.401 2.692 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])nn1 ZINC001588817170 984274575 /nfs/dbraw/zinc/27/45/75/984274575.db2.gz BZAPJVGRRIJSDJ-UHFFFAOYSA-N -1 0 334.763 2.767 20 30 EFEDRM C=CCCn1cc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)nn1 ZINC001588817593 984276576 /nfs/dbraw/zinc/27/65/76/984276576.db2.gz OJDKBHHPPHOARI-MRXNPFEDSA-N -1 0 341.367 2.787 20 30 EFEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)nn1 ZINC001588820107 984282167 /nfs/dbraw/zinc/28/21/67/984282167.db2.gz QLWYKAIGCWGFEN-SFHVURJKSA-N -1 0 336.395 2.923 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C(C)C ZINC001588820279 984283705 /nfs/dbraw/zinc/28/37/05/984283705.db2.gz ZEXQXFCNUXQGFW-UHFFFAOYSA-N -1 0 348.399 2.534 20 30 EFEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H](C)COC ZINC001588820508 984285072 /nfs/dbraw/zinc/28/50/72/984285072.db2.gz HIDHZNOHZYAMRR-LBPRGKRZSA-N -1 0 343.383 2.988 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H](C)COC ZINC001588820706 984285621 /nfs/dbraw/zinc/28/56/21/984285621.db2.gz OPEONKIITHNUSY-VIFPVBQESA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588826652 984305850 /nfs/dbraw/zinc/30/58/50/984305850.db2.gz OSFSZOVKEZKMBL-UHFFFAOYSA-N -1 0 331.393 2.901 20 30 EFEDRM C=CCN(c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl)C1CC1 ZINC001588832162 984319560 /nfs/dbraw/zinc/31/95/60/984319560.db2.gz DUIWNCOKPZIETK-UHFFFAOYSA-N -1 0 345.786 2.739 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2cccc(OC3CC3)c2F)C(C(=O)[O-])=C1C ZINC001588836543 984328194 /nfs/dbraw/zinc/32/81/94/984328194.db2.gz AUIBEZIVFVDLMM-INIZCTEOSA-N -1 0 346.358 2.978 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3c2cccc3C(=O)[O-])s1 ZINC001588849308 984370049 /nfs/dbraw/zinc/37/00/49/984370049.db2.gz JFTYCEYIQQHQPT-UHFFFAOYSA-N -1 0 329.381 2.642 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)s1 ZINC001588849306 984370187 /nfs/dbraw/zinc/37/01/87/984370187.db2.gz JFLJMZVHZHIRDU-UHFFFAOYSA-N -1 0 343.368 2.568 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC001588849553 984371865 /nfs/dbraw/zinc/37/18/65/984371865.db2.gz YTNCJLDWTRTPEN-UHFFFAOYSA-N -1 0 343.408 2.638 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001588849666 984373680 /nfs/dbraw/zinc/37/36/80/984373680.db2.gz DJZOIJGXCPFLGX-SNVBAGLBSA-N -1 0 342.754 2.986 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])C1 ZINC001588850127 984379006 /nfs/dbraw/zinc/37/90/06/984379006.db2.gz YJOCDGNOAQVTBZ-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588850904 984380926 /nfs/dbraw/zinc/38/09/26/984380926.db2.gz KARSAMGWTCPYKX-LBPRGKRZSA-N -1 0 343.782 2.529 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588856462 984400290 /nfs/dbraw/zinc/40/02/90/984400290.db2.gz ZTXPMRKGZNQOFJ-MFKMUULPSA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588856461 984400482 /nfs/dbraw/zinc/40/04/82/984400482.db2.gz ZTXPMRKGZNQOFJ-GXFFZTMASA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(C)c(C)sc1-n1cccc1)C(=O)[O-] ZINC001588857177 984403002 /nfs/dbraw/zinc/40/30/02/984403002.db2.gz VOBNTCYZPFTTFC-CYBMUJFWSA-N -1 0 348.424 2.541 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001588859374 984405577 /nfs/dbraw/zinc/40/55/77/984405577.db2.gz JPNBQDQMBURHJL-OAHLLOKOSA-N -1 0 348.786 2.516 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001588859942 984409732 /nfs/dbraw/zinc/40/97/32/984409732.db2.gz BZWODJAWDDVEMR-SNVBAGLBSA-N -1 0 339.800 2.940 20 30 EFEDRM C=CCOCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001588866285 984423951 /nfs/dbraw/zinc/42/39/51/984423951.db2.gz DTGRPIUGLBJLNM-UHFFFAOYSA-N -1 0 344.314 2.700 20 30 EFEDRM C=CCOc1ccc(CC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC001588873734 984445276 /nfs/dbraw/zinc/44/52/76/984445276.db2.gz JURZQHGAQJLXSI-UHFFFAOYSA-N -1 0 332.381 2.516 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC001588874093 984447509 /nfs/dbraw/zinc/44/75/09/984447509.db2.gz WJXMNNRRBDUHTN-UHFFFAOYSA-N -1 0 339.391 2.851 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001588877179 984451753 /nfs/dbraw/zinc/45/17/53/984451753.db2.gz AHYQKLVJOSXQBU-AWEZNQCLSA-N -1 0 338.363 2.550 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588877293 984452138 /nfs/dbraw/zinc/45/21/38/984452138.db2.gz HDRDENVKHNKAJN-CSKARUKUSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001588877407 984452835 /nfs/dbraw/zinc/45/28/35/984452835.db2.gz NBKOEPLHYWLQAK-UHFFFAOYSA-N -1 0 342.351 2.622 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001588877527 984453884 /nfs/dbraw/zinc/45/38/84/984453884.db2.gz XUSQENPYVGSCJT-UHFFFAOYSA-N -1 0 333.365 2.750 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC[C@H]1OC ZINC001588881640 984461054 /nfs/dbraw/zinc/46/10/54/984461054.db2.gz DGYVBUVDWUBWSG-ZIAGYGMSSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC001588882451 984462917 /nfs/dbraw/zinc/46/29/17/984462917.db2.gz SVOAJVSVDNSBKI-MISXGVKJSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@]1(C)CC(C)=NO1 ZINC001588882519 984463534 /nfs/dbraw/zinc/46/35/34/984463534.db2.gz XGMKLJRSFBBEAX-QGZVFWFLSA-N -1 0 333.340 2.582 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@@H]1CCCOC1 ZINC001588882471 984463542 /nfs/dbraw/zinc/46/35/42/984463542.db2.gz VHNFDAMICVGDRQ-LBPRGKRZSA-N -1 0 334.368 2.844 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCOCC(F)F ZINC001588882591 984464076 /nfs/dbraw/zinc/46/40/76/984464076.db2.gz ZTCJDFMZNTWGHH-UHFFFAOYSA-N -1 0 344.310 2.699 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCOC[C@@H]1C ZINC001588882558 984464092 /nfs/dbraw/zinc/46/40/92/984464092.db2.gz YPQNHCVUTUAINI-SMDDNHRTSA-N -1 0 334.368 2.700 20 30 EFEDRM C=CCc1cc(CNc2ccc(C(=O)[O-])nn2)cc(OC)c1OC ZINC001588885903 984470423 /nfs/dbraw/zinc/47/04/23/984470423.db2.gz YYBWIFSEJODNQI-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588888676 984475240 /nfs/dbraw/zinc/47/52/40/984475240.db2.gz AEXFNAXIVBREHC-UHFFFAOYSA-N -1 0 337.383 2.794 20 30 EFEDRM C=CCn1c(-c2cc3ccsc3[nH]2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588889066 984477759 /nfs/dbraw/zinc/47/77/59/984477759.db2.gz KCPDWELWGCHSJG-LLVKDONJSA-N -1 0 343.412 2.585 20 30 EFEDRM C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588889329 984479065 /nfs/dbraw/zinc/47/90/65/984479065.db2.gz QFPFGWBMNZQEOM-AWEZNQCLSA-N -1 0 344.390 2.880 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588889366 984479076 /nfs/dbraw/zinc/47/90/76/984479076.db2.gz RPOVKXOQIZNPMD-GDBMZVCRSA-N -1 0 340.427 2.905 20 30 EFEDRM C=CCn1c(-c2ccsc2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588889827 984481972 /nfs/dbraw/zinc/48/19/72/984481972.db2.gz FFSGMURNTQYOPU-ZBEGNZNMSA-N -1 0 332.429 2.740 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588890022 984482912 /nfs/dbraw/zinc/48/29/12/984482912.db2.gz LDLNAYQJDNIBBE-CHWSQXEVSA-N -1 0 344.390 2.817 20 30 EFEDRM C=CCn1c(-c2ccoc2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588890354 984485895 /nfs/dbraw/zinc/48/58/95/984485895.db2.gz ZLBJLFHJOFNTKZ-UHFFFAOYSA-N -1 0 330.388 2.805 20 30 EFEDRM C=CCn1c(C2SC=CC2=O)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588891462 984488322 /nfs/dbraw/zinc/48/83/22/984488322.db2.gz LENGQNFHCXUTAT-INIZCTEOSA-N -1 0 348.428 2.589 20 30 EFEDRM C=CCn1c([C@H](CC)OCC)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895560 984494340 /nfs/dbraw/zinc/49/43/40/984494340.db2.gz INEWJOPFXRGHKV-GUYCJALGSA-N -1 0 336.436 2.643 20 30 EFEDRM C=CCn1c([C@H]2C[C@@H]2C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896476 984502065 /nfs/dbraw/zinc/50/20/65/984502065.db2.gz KBLYYPRTEGBMGY-GWCFXTLKSA-N -1 0 330.388 2.824 20 30 EFEDRM C=CCn1c(CC2CC2)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588896908 984505589 /nfs/dbraw/zinc/50/55/89/984505589.db2.gz GDRVDARCHNNUQL-UHFFFAOYSA-N -1 0 338.411 2.678 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897266 984508595 /nfs/dbraw/zinc/50/85/95/984508595.db2.gz JBJSUBWTXFTZBV-UPJWGTAASA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c([C@@H](C)CC)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588897391 984509918 /nfs/dbraw/zinc/50/99/18/984509918.db2.gz YNICELUFUZTZMM-LBPRGKRZSA-N -1 0 341.415 2.634 20 30 EFEDRM C=CCn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588904123 984527216 /nfs/dbraw/zinc/52/72/16/984527216.db2.gz HYBVAMMBQBNLOK-ZWKOTPCHSA-N -1 0 346.431 2.695 20 30 EFEDRM C=CCn1c(N2CCc3cc(C(=O)[O-])ccc3C2)nnc1C(C)(C)F ZINC001588905206 984536203 /nfs/dbraw/zinc/53/62/03/984536203.db2.gz SVHBQDTURRKUDE-UHFFFAOYSA-N -1 0 344.390 2.930 20 30 EFEDRM C=CCn1c(SCC2(CC(=O)[O-])CC2)nnc1-c1ccncc1 ZINC001588907423 984539533 /nfs/dbraw/zinc/53/95/33/984539533.db2.gz MIRMEDUKTVQAQB-UHFFFAOYSA-N -1 0 330.413 2.873 20 30 EFEDRM C=CCn1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nn1 ZINC001588909383 984543639 /nfs/dbraw/zinc/54/36/39/984543639.db2.gz RRHPPCYYSMTPSC-ZDUSSCGKSA-N -1 0 341.198 2.686 20 30 EFEDRM C=CCn1cc(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)nn1 ZINC001588909451 984544093 /nfs/dbraw/zinc/54/40/93/984544093.db2.gz VCVHWUXFANFSIV-UHFFFAOYSA-N -1 0 338.367 2.712 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NCc3ccc(C(=O)[O-])o3)cc21 ZINC001588912599 984552075 /nfs/dbraw/zinc/55/20/75/984552075.db2.gz KUELIWJKFWVVIM-UHFFFAOYSA-N -1 0 340.339 2.835 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cc21 ZINC001588912854 984552786 /nfs/dbraw/zinc/55/27/86/984552786.db2.gz PSNCKMUYKLLPGL-SGTLLEGYSA-N -1 0 342.399 2.797 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588916541 984561631 /nfs/dbraw/zinc/56/16/31/984561631.db2.gz RGSFTZINJIPQAT-INMHGKMJSA-N -1 0 329.396 2.512 20 30 EFEDRM CC#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC001588925574 984587705 /nfs/dbraw/zinc/58/77/05/984587705.db2.gz SKYDZJYXGUDSFM-CQSZACIVSA-N -1 0 333.384 2.529 20 30 EFEDRM CC#CCNC(=O)C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001588932581 984609414 /nfs/dbraw/zinc/60/94/14/984609414.db2.gz ZBAYVHHOKSDELV-UHFFFAOYSA-N -1 0 348.424 2.572 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1 ZINC001599887105 984649671 /nfs/dbraw/zinc/64/96/71/984649671.db2.gz NPSOLTYCJLQFEV-OAHLLOKOSA-N -1 0 336.391 2.993 20 30 EFEDRM C/C(=C/CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588977874 984836527 /nfs/dbraw/zinc/83/65/27/984836527.db2.gz LKUJLRJYWDQOSU-YWEYNIOJSA-N -1 0 327.262 2.729 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)C(F)(F)c2ccccc2C#N)(C(=O)[O-])CC1 ZINC001599907732 984944918 /nfs/dbraw/zinc/94/49/18/984944918.db2.gz CYEAJMQIRHVPII-SXUIPJSXSA-N -1 0 336.338 2.800 20 30 EFEDRM C/C(=C/c1ccccc1Cl)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589003695 984955806 /nfs/dbraw/zinc/95/58/06/984955806.db2.gz IKEJHHRHLJWYSO-BENRWUELSA-N -1 0 332.787 2.960 20 30 EFEDRM CC(=NNc1ccc(CC(=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC001589016503 984995409 /nfs/dbraw/zinc/99/54/09/984995409.db2.gz RCIMOAGMPAZIQX-UHFFFAOYSA-N -1 0 339.395 2.852 20 30 EFEDRM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ncc(C(=O)[O-])s1 ZINC001589016847 984998755 /nfs/dbraw/zinc/99/87/55/984998755.db2.gz MLMIFLBBZXJTMF-SCZZXKLOSA-N -1 0 340.474 2.608 20 30 EFEDRM CC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC001589017255 985002764 /nfs/dbraw/zinc/00/27/64/985002764.db2.gz GCCGCZMSXRQWOB-UHFFFAOYSA-N -1 0 332.291 2.850 20 30 EFEDRM Cc1nnc(N=NC(C)c2cnc3sc(C(=O)[O-])c(C)c3c2)n1C ZINC001589017417 985004015 /nfs/dbraw/zinc/00/40/15/985004015.db2.gz MXAPBAGFDHLXOK-UHFFFAOYSA-N -1 0 344.400 2.576 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC001589017435 985004326 /nfs/dbraw/zinc/00/43/26/985004326.db2.gz OPEMVOZGVWTKNJ-UHFFFAOYSA-N -1 0 343.314 2.691 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cc(C)cc(C)c1 ZINC001589024161 985030347 /nfs/dbraw/zinc/03/03/47/985030347.db2.gz DSCNLYJOAGWNIM-INIZCTEOSA-N -1 0 342.395 2.707 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1cccc(C2CCCC2)c1 ZINC001589028012 985049836 /nfs/dbraw/zinc/04/98/36/985049836.db2.gz ZBWMQNOVPXVHFB-HNNXBMFYSA-N -1 0 344.436 2.791 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599916966 985072223 /nfs/dbraw/zinc/07/22/23/985072223.db2.gz CVWGYQLWJLQRLZ-YEWWUXTCSA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[C@H]1C(=O)[O-] ZINC001599918155 985089362 /nfs/dbraw/zinc/08/93/62/985089362.db2.gz GSHFJVMAWGEDSJ-XGWLTEMNSA-N -1 0 341.411 2.688 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(C(=O)[O-])cs1 ZINC001596761084 985149458 /nfs/dbraw/zinc/14/94/58/985149458.db2.gz OKVZXMLDWBFMLU-ONEGZZNKSA-N -1 0 337.378 2.976 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599943023 985478715 /nfs/dbraw/zinc/47/87/15/985478715.db2.gz YJDJSVQQVQQWRZ-HNNXBMFYSA-N -1 0 325.368 2.777 20 30 EFEDRM CC(=O)[C@@H]1C[C@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1(C)C ZINC001589231021 985782628 /nfs/dbraw/zinc/78/26/28/985782628.db2.gz PPMLMWZNHNCSHK-HLLBOEOZSA-N -1 0 343.379 2.869 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC001589262276 985928198 /nfs/dbraw/zinc/92/81/98/985928198.db2.gz UXWXQAPMWPLCML-ZDUSSCGKSA-N -1 0 339.351 2.942 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589273774 985977509 /nfs/dbraw/zinc/97/75/09/985977509.db2.gz NRUQAAZIHRZXSH-AWEZNQCLSA-N -1 0 326.274 2.604 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001599976228 986094977 /nfs/dbraw/zinc/09/49/77/986094977.db2.gz UPANGSXZTHRHIE-MRXNPFEDSA-N -1 0 332.356 2.720 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccoc1CC(=O)[O-] ZINC001589323562 986146735 /nfs/dbraw/zinc/14/67/35/986146735.db2.gz FPVUAZBBDPZFQR-SFHVURJKSA-N -1 0 326.352 2.552 20 30 EFEDRM C[C@H](C#N)CN(C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CC1 ZINC001589329132 986161209 /nfs/dbraw/zinc/16/12/09/986161209.db2.gz JTEKAHBHEMYNGG-SECBINFHSA-N -1 0 336.417 2.661 20 30 EFEDRM C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001589331317 986183872 /nfs/dbraw/zinc/18/38/72/986183872.db2.gz ARKQSWWSNXBOOK-NSHDSACASA-N -1 0 344.392 2.603 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001599982792 986187485 /nfs/dbraw/zinc/18/74/85/986187485.db2.gz BZWWRJWDIOMLFD-UHFFFAOYSA-N -1 0 340.364 2.765 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001589334690 986202980 /nfs/dbraw/zinc/20/29/80/986202980.db2.gz HITHLVJKOQAQGW-GFCCVEGCSA-N -1 0 339.351 2.726 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001589334566 986203570 /nfs/dbraw/zinc/20/35/70/986203570.db2.gz GSQPJNUFGSVGAW-CHWSQXEVSA-N -1 0 343.383 2.696 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCCC#N ZINC001594561198 986313983 /nfs/dbraw/zinc/31/39/83/986313983.db2.gz CXDJMBKDFSNHPS-CQSZACIVSA-N -1 0 329.400 2.506 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)c(C)n1 ZINC001597026706 986436067 /nfs/dbraw/zinc/43/60/67/986436067.db2.gz ZCLMPQJWJLODAZ-UHFFFAOYSA-N -1 0 325.324 2.611 20 30 EFEDRM CCOc1cc(C(=O)O[C@H](C#N)C(C)(C)C)ccc1OCC(=O)[O-] ZINC001597029147 986442096 /nfs/dbraw/zinc/44/20/96/986442096.db2.gz YJIYPBMGRPVJOT-CQSZACIVSA-N -1 0 335.356 2.644 20 30 EFEDRM CCOc1cc(F)cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001597036274 986475931 /nfs/dbraw/zinc/47/59/31/986475931.db2.gz BHYGVAIANOPYPJ-WZUFQYTHSA-N -1 0 330.315 2.789 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597055622 986532558 /nfs/dbraw/zinc/53/25/58/986532558.db2.gz CQCOQLDRQXAHKU-UHFFFAOYSA-N -1 0 327.340 2.852 20 30 EFEDRM CCOc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)c(C(=O)[O-])c1F ZINC001597118838 986802827 /nfs/dbraw/zinc/80/28/27/986802827.db2.gz KKUZBAJEZJJACN-JTQLQIEISA-N -1 0 335.335 2.690 20 30 EFEDRM CCOc1ccc(NC(=S)NN=Cc2ccoc2C(=O)[O-])cc1 ZINC001597123413 986825591 /nfs/dbraw/zinc/82/55/91/986825591.db2.gz NZCICKVUDQKORT-UHFFFAOYSA-N -1 0 333.369 2.697 20 30 EFEDRM CCOc1cccc(/C=N/C[C@@H](Oc2ccccc2)C(=O)[O-])c1O ZINC001597149407 986918649 /nfs/dbraw/zinc/91/86/49/986918649.db2.gz GRTUDFZHZIXFRG-YDDPGSGASA-N -1 0 329.352 2.742 20 30 EFEDRM CCOc1nc(C)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597193806 987080883 /nfs/dbraw/zinc/08/08/83/987080883.db2.gz PSJQUIHWMXHGOU-OAHLLOKOSA-N -1 0 340.335 2.643 20 30 EFEDRM CCOc1nc(C)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597193805 987080941 /nfs/dbraw/zinc/08/09/41/987080941.db2.gz PSJQUIHWMXHGOU-HNNXBMFYSA-N -1 0 340.335 2.643 20 30 EFEDRM CCOc1nccc(C)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597197614 987091444 /nfs/dbraw/zinc/09/14/44/987091444.db2.gz IZCMPULIMKMCOA-OAHLLOKOSA-N -1 0 340.335 2.643 20 30 EFEDRM CCOc1nccc(C)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597197702 987092149 /nfs/dbraw/zinc/09/21/49/987092149.db2.gz LTGGZMPCRNFRGF-OAHLLOKOSA-N -1 0 340.335 2.643 20 30 EFEDRM CC[C@H](C#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001594721929 987207201 /nfs/dbraw/zinc/20/72/01/987207201.db2.gz HAQLEJMHJVQGRA-XCBNKYQSSA-N -1 0 345.218 2.644 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594722019 987208105 /nfs/dbraw/zinc/20/81/05/987208105.db2.gz HHZOMTRFALPNCW-CABZTGNLSA-N -1 0 328.290 2.887 20 30 EFEDRM CCS(=O)(=O)c1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001597243434 987216863 /nfs/dbraw/zinc/21/68/63/987216863.db2.gz GBRFKRMUKQXDPL-UHFFFAOYSA-N -1 0 344.392 2.662 20 30 EFEDRM CC[C@@H](C#N)N(C)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594722841 987217401 /nfs/dbraw/zinc/21/74/01/987217401.db2.gz WWYBGQYGVJGYLC-NSHDSACASA-N -1 0 325.162 2.521 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC001589532870 987220255 /nfs/dbraw/zinc/22/02/55/987220255.db2.gz HOZUDYNQRDFSGA-CYBMUJFWSA-N -1 0 338.363 2.958 20 30 EFEDRM CC[C@H](C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594725002 987225308 /nfs/dbraw/zinc/22/53/08/987225308.db2.gz HXFURCYIIOJUJP-LBPRGKRZSA-N -1 0 328.290 2.636 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC001589557701 987306530 /nfs/dbraw/zinc/30/65/30/987306530.db2.gz FZDVDBBQZOYWDX-BPUTZDHNSA-N -1 0 326.396 2.813 20 30 EFEDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cc(F)cc(C#N)c1 ZINC001589579121 987357600 /nfs/dbraw/zinc/35/76/00/987357600.db2.gz CCULMTDOACKOCH-KOZAUXTDSA-N -1 0 344.386 2.590 20 30 EFEDRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])n1)c1cc(F)cc(C#N)c1 ZINC001589582706 987365401 /nfs/dbraw/zinc/36/54/01/987365401.db2.gz LCXHESOWUMWNLH-UHFFFAOYSA-N -1 0 341.342 2.636 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001589611372 987462929 /nfs/dbraw/zinc/46/29/29/987462929.db2.gz HUGOKXIYJQVTNX-ZDUSSCGKSA-N -1 0 345.399 2.944 20 30 EFEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1F ZINC001597334283 987468858 /nfs/dbraw/zinc/46/88/58/987468858.db2.gz LRLYLXCUQYRKND-AWEZNQCLSA-N -1 0 333.363 2.677 20 30 EFEDRM CCc1[nH]c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c(C)c1C(=O)[O-] ZINC001597369488 987554165 /nfs/dbraw/zinc/55/41/65/987554165.db2.gz WVFRMMLLYXLXDM-UHFFFAOYSA-N -1 0 347.321 2.664 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2ccc(OC)c(C#N)c2)c(C)c1C(=O)[O-] ZINC001597372625 987555607 /nfs/dbraw/zinc/55/56/07/987555607.db2.gz FYUKTMAWGZXXCW-UHFFFAOYSA-N -1 0 327.340 2.716 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2cc(C#N)c(F)cc2F)c(C)c1C(=O)[O-] ZINC001597386664 987606327 /nfs/dbraw/zinc/60/63/27/987606327.db2.gz ZQKXDBQMEHCNBA-UHFFFAOYSA-N -1 0 333.294 2.986 20 30 EFEDRM CCc1c(C)sc(NC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)c1C#N ZINC001597415445 987715237 /nfs/dbraw/zinc/71/52/37/987715237.db2.gz GDOXUMCHZJOYTM-MFKMUULPSA-N -1 0 336.413 2.842 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001597423574 987744960 /nfs/dbraw/zinc/74/49/60/987744960.db2.gz DWMRDRJIHVOAEA-UHFFFAOYSA-N -1 0 345.376 2.895 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001597424223 987746963 /nfs/dbraw/zinc/74/69/63/987746963.db2.gz OOZMBGXCNPFBRA-UHFFFAOYSA-N -1 0 349.339 2.726 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001597424791 987748522 /nfs/dbraw/zinc/74/85/22/987748522.db2.gz XFPJMZDEJGAPMS-UHFFFAOYSA-N -1 0 337.378 2.648 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589711457 987838688 /nfs/dbraw/zinc/83/86/88/987838688.db2.gz BWDLQTPKPOSPOH-ZDUSSCGKSA-N -1 0 327.302 2.672 20 30 EFEDRM CC(C)(C)[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC001589720525 987883863 /nfs/dbraw/zinc/88/38/63/987883863.db2.gz PEZZXKJBICLCRP-CQSZACIVSA-N -1 0 328.328 2.926 20 30 EFEDRM CCc1ccc(C#CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001597494684 988036848 /nfs/dbraw/zinc/03/68/48/988036848.db2.gz GIMXVADXPVRSLM-YLJYHZDGSA-N -1 0 325.408 2.704 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001597542681 988232744 /nfs/dbraw/zinc/23/27/44/988232744.db2.gz GVIJWGWTQCNVBM-OWCLPIDISA-N -1 0 342.395 2.787 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597542712 988233025 /nfs/dbraw/zinc/23/30/25/988233025.db2.gz IFNFPWQHKQIMAA-LBPRGKRZSA-N -1 0 342.376 2.970 20 30 EFEDRM CSc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1C#N ZINC001599813021 988371213 /nfs/dbraw/zinc/37/12/13/988371213.db2.gz HPJSWGMQVMAKNO-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM CSc1ccc(CCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001599813223 988374579 /nfs/dbraw/zinc/37/45/79/988374579.db2.gz WFXRNCVABACZGS-UHFFFAOYSA-N -1 0 346.452 2.948 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597584486 988390445 /nfs/dbraw/zinc/39/04/45/988390445.db2.gz CINQJGOWBMMUPU-QLFBSQMISA-N -1 0 342.395 2.570 20 30 EFEDRM CCc1nc(C#N)cc(N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC001597644599 988654198 /nfs/dbraw/zinc/65/41/98/988654198.db2.gz CXLSLFRTKWQGEB-HIFRSBDPSA-N -1 0 328.416 2.770 20 30 EFEDRM CCc1nc(NC(=O)c2ccc(C#N)c(Cl)n2)sc1C(=O)[O-] ZINC001597682098 988818607 /nfs/dbraw/zinc/81/86/07/988818607.db2.gz QESLPVIPTJIPDY-UHFFFAOYSA-N -1 0 336.760 2.576 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001597766306 989210971 /nfs/dbraw/zinc/21/09/71/989210971.db2.gz KDJWZPAZNIKHAO-UHFFFAOYSA-N -1 0 339.395 2.734 20 30 EFEDRM CCn1c(CCCCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597849186 989575995 /nfs/dbraw/zinc/57/59/95/989575995.db2.gz CITGUMAZDUGGTI-AWEZNQCLSA-N -1 0 333.436 2.616 20 30 EFEDRM CC(C)(C)O[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001590369991 989863247 /nfs/dbraw/zinc/86/32/47/989863247.db2.gz WYAFGPWRNYYVIH-HNNXBMFYSA-N -1 0 344.411 2.760 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597928772 989885603 /nfs/dbraw/zinc/88/56/03/989885603.db2.gz WEWOAVYSLTVNEZ-MRXNPFEDSA-N -1 0 341.367 2.881 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)C(=O)CCSCC(=O)[O-])s1 ZINC001590515390 990125192 /nfs/dbraw/zinc/12/51/92/990125192.db2.gz IYLHLMPHTQGFOC-SECBINFHSA-N -1 0 326.443 2.825 20 30 EFEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001590574481 990213671 /nfs/dbraw/zinc/21/36/71/990213671.db2.gz DECSENSRAOFLLQ-UHFFFAOYSA-N -1 0 347.444 2.583 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001590587157 990234115 /nfs/dbraw/zinc/23/41/15/990234115.db2.gz IGEWLYQLLYXHMF-UHFFFAOYSA-N -1 0 347.400 2.591 20 30 EFEDRM CN(C(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(C#N)c(Cl)c1 ZINC001598034520 990259625 /nfs/dbraw/zinc/25/96/25/990259625.db2.gz OEWTYTWMVLBVDH-UHFFFAOYSA-N -1 0 329.743 2.510 20 30 EFEDRM CC(C)(CC#N)CS(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001590616640 990292708 /nfs/dbraw/zinc/29/27/08/990292708.db2.gz IILKVVJJAFXZGD-UHFFFAOYSA-N -1 0 331.777 2.687 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001590654762 990348706 /nfs/dbraw/zinc/34/87/06/990348706.db2.gz TZFMNMVRTBODQT-HZPDHXFCSA-N -1 0 343.427 2.826 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001590654889 990349680 /nfs/dbraw/zinc/34/96/80/990349680.db2.gz XPSLGMVHVCLGDX-UHFFFAOYSA-N -1 0 329.400 2.782 20 30 EFEDRM CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1(C(=O)[O-])CCCC1 ZINC001598073758 990379899 /nfs/dbraw/zinc/37/98/99/990379899.db2.gz SWCNPRFNPIYKIS-UHFFFAOYSA-N -1 0 339.351 2.683 20 30 EFEDRM CC(C)(CNC(=O)c1cccc(C#N)c1Br)CC(=O)[O-] ZINC001590750979 990551151 /nfs/dbraw/zinc/55/11/51/990551151.db2.gz XBVFLCNMLVEWKS-UHFFFAOYSA-N -1 0 339.189 2.551 20 30 EFEDRM CC(C)(NC(=O)c1cccc(SCC#N)c1)c1cc(C(=O)[O-])on1 ZINC001590863962 990755823 /nfs/dbraw/zinc/75/58/23/990755823.db2.gz JSYFQBQIOJSARM-UHFFFAOYSA-N -1 0 345.380 2.654 20 30 EFEDRM COc1ccccc1C[C@H](CNc1nc(C)ccc1C#N)C(=O)[O-] ZINC001599707898 991320757 /nfs/dbraw/zinc/32/07/57/991320757.db2.gz SDOPBZBJZWSOIO-OAHLLOKOSA-N -1 0 325.368 2.626 20 30 EFEDRM CN(C)c1ccc(OC(=O)c2ccc(C#N)c(Cl)n2)cc1C(=O)[O-] ZINC001598328549 991351321 /nfs/dbraw/zinc/35/13/21/991351321.db2.gz RTYHDIDLYIDDIH-UHFFFAOYSA-N -1 0 345.742 2.590 20 30 EFEDRM COc1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1Cl ZINC001599735908 991775488 /nfs/dbraw/zinc/77/54/88/991775488.db2.gz LEMMDKMLVCEJDE-UHFFFAOYSA-N -1 0 346.726 2.670 20 30 EFEDRM CN(CC1(C#N)CC1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598443002 991865726 /nfs/dbraw/zinc/86/57/26/991865726.db2.gz ZADRJIGGWOFOQW-SNVBAGLBSA-N -1 0 329.219 2.872 20 30 EFEDRM CC(C)C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001591188141 991992065 /nfs/dbraw/zinc/99/20/65/991992065.db2.gz JDKRHZWOZYBRLO-BBRMVZONSA-N -1 0 348.374 2.566 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598500368 992427501 /nfs/dbraw/zinc/42/75/01/992427501.db2.gz VEQIEIOPGSICGJ-GHTZIAJQSA-N -1 0 348.402 2.818 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598500371 992427639 /nfs/dbraw/zinc/42/76/39/992427639.db2.gz VEQIEIOPGSICGJ-WIYYLYMNSA-N -1 0 348.402 2.818 20 30 EFEDRM CN(Cc1cc(C#N)cs1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001598507047 992518418 /nfs/dbraw/zinc/51/84/18/992518418.db2.gz KTPKOSNHKRQSRU-UHFFFAOYSA-N -1 0 343.408 2.702 20 30 EFEDRM CN(Cc1ccc(OCC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598519759 992664571 /nfs/dbraw/zinc/66/45/71/992664571.db2.gz DOZNBEZBCOIJCE-UHFFFAOYSA-N -1 0 326.352 2.689 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598525597 992717050 /nfs/dbraw/zinc/71/70/50/992717050.db2.gz VAZDNUHZFCFBLT-UHFFFAOYSA-N -1 0 329.400 2.735 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001591596869 992826660 /nfs/dbraw/zinc/82/66/60/992826660.db2.gz RVXTYCZUSFVRQU-UHFFFAOYSA-N -1 0 331.416 2.979 20 30 EFEDRM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591604167 992841396 /nfs/dbraw/zinc/84/13/96/992841396.db2.gz LDHQWUCTXLIZLQ-UHFFFAOYSA-N -1 0 344.392 2.860 20 30 EFEDRM C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593079470 993648289 /nfs/dbraw/zinc/64/82/89/993648289.db2.gz UGYAJJVWGDLBPS-UWVGGRQHSA-N -1 0 344.396 2.834 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001593114904 993795495 /nfs/dbraw/zinc/79/54/95/993795495.db2.gz FTPFLEYZMARLDF-GFCCVEGCSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc(OC)c2sc(N3CCC(C#N)(C(=O)[O-])CC3)nc21 ZINC001599607285 993903561 /nfs/dbraw/zinc/90/35/61/993903561.db2.gz XFHFXVQOHYLSBU-UHFFFAOYSA-N -1 0 347.396 2.508 20 30 EFEDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593145733 993941831 /nfs/dbraw/zinc/94/18/31/993941831.db2.gz HNCWGNXLMSICOV-SNVBAGLBSA-N -1 0 339.307 2.656 20 30 EFEDRM C[C@@H](NC(=O)c1sccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593188326 994099742 /nfs/dbraw/zinc/09/97/42/994099742.db2.gz ARSVVZXAXIRHSA-RISCZKNCSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@H](NC(=O)c1cscc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593188680 994102227 /nfs/dbraw/zinc/10/22/27/994102227.db2.gz GRGFCUCTKYWSRR-FZMZJTMJSA-N -1 0 328.393 2.682 20 30 EFEDRM COc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1F ZINC001599645551 994419694 /nfs/dbraw/zinc/41/96/94/994419694.db2.gz CWFCCVAQCGSMSU-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1F ZINC001599645499 994419698 /nfs/dbraw/zinc/41/96/98/994419698.db2.gz BRCRSAGLJOZIHH-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)c1 ZINC001599654462 994555779 /nfs/dbraw/zinc/55/57/79/994555779.db2.gz ZVCKCRIKYSGUEZ-LJQANCHMSA-N -1 0 338.363 2.687 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598677790 994875299 /nfs/dbraw/zinc/87/52/99/994875299.db2.gz FHHPXWGTKGKEKS-KUHUBIRLSA-N -1 0 335.363 2.797 20 30 EFEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001598711772 995357793 /nfs/dbraw/zinc/35/77/93/995357793.db2.gz LSRRWSDIZZQYQD-INIZCTEOSA-N -1 0 342.351 2.504 20 30 EFEDRM C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593517559 995555139 /nfs/dbraw/zinc/55/51/39/995555139.db2.gz WEBYMNKBUZJZPG-OCCSQVGLSA-N -1 0 331.368 2.686 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001593585892 995704757 /nfs/dbraw/zinc/70/47/57/995704757.db2.gz UJZQBFZNOVCHNB-SNVBAGLBSA-N -1 0 342.307 2.748 20 30 EFEDRM C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001593585891 995704930 /nfs/dbraw/zinc/70/49/30/995704930.db2.gz UJZQBFZNOVCHNB-JTQLQIEISA-N -1 0 342.307 2.748 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC001593611872 995811311 /nfs/dbraw/zinc/81/13/11/995811311.db2.gz WWOXYBZOAXJBNZ-DVOMOZLQSA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1F)C(=O)[O-] ZINC001593626939 995898074 /nfs/dbraw/zinc/89/80/74/995898074.db2.gz RMWZXTSUSYIIGW-NSHDSACASA-N -1 0 349.362 2.835 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1F)C(=O)[O-] ZINC001593626935 995898205 /nfs/dbraw/zinc/89/82/05/995898205.db2.gz RMWZXTSUSYIIGW-LLVKDONJSA-N -1 0 349.362 2.835 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2ccccc2CC#N)cc1F)C(=O)[O-] ZINC001593633555 995923735 /nfs/dbraw/zinc/92/37/35/995923735.db2.gz IJCPHPVEMVYGGG-LLVKDONJSA-N -1 0 342.326 2.996 20 30 EFEDRM C[C@H](SCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593661584 996038150 /nfs/dbraw/zinc/03/81/50/996038150.db2.gz HNTQWTPVNQNZHW-ZDUSSCGKSA-N -1 0 332.425 2.525 20 30 EFEDRM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC001593678425 996092269 /nfs/dbraw/zinc/09/22/69/996092269.db2.gz NPMXULIWKMECOD-JTQLQIEISA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@H](Sc1nc2ccccc2s1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001593679870 996103758 /nfs/dbraw/zinc/10/37/58/996103758.db2.gz RXTWKDXGXOYSKD-JTQLQIEISA-N -1 0 349.437 2.604 20 30 EFEDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001593724434 996266748 /nfs/dbraw/zinc/26/67/48/996266748.db2.gz GUQBIBSSFRLHHJ-GFCCVEGCSA-N -1 0 341.367 2.849 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001593743040 996365027 /nfs/dbraw/zinc/36/50/27/996365027.db2.gz NYVNSDIGFKQVSM-INIZCTEOSA-N -1 0 333.413 2.772 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001593743226 996366778 /nfs/dbraw/zinc/36/67/78/996366778.db2.gz SRNQITLFZDUKCX-SFHVURJKSA-N -1 0 342.399 2.752 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001593769563 996456846 /nfs/dbraw/zinc/45/68/46/996456846.db2.gz SETQNAXPSOSTQN-VQIMIIECSA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001593779344 996489514 /nfs/dbraw/zinc/48/95/14/996489514.db2.gz XWKWKMDNXNJAEV-QGZVFWFLSA-N -1 0 340.339 2.706 20 30 EFEDRM CC(C)(CC#N)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001593783079 996492030 /nfs/dbraw/zinc/49/20/30/996492030.db2.gz JDJKTBKUXYEMFQ-GOSISDBHSA-N -1 0 345.447 2.570 20 30 EFEDRM CC1(C)C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2ccccc2O1 ZINC001593847850 996615656 /nfs/dbraw/zinc/61/56/56/996615656.db2.gz XNQLAJKWWOAYDF-CQSZACIVSA-N -1 0 342.395 2.548 20 30 EFEDRM COC(=O)COc1ccc(C=NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001598866765 996711008 /nfs/dbraw/zinc/71/10/08/996711008.db2.gz QCTDELSWSBRTME-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM COC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001598867040 996713327 /nfs/dbraw/zinc/71/33/27/996713327.db2.gz YUVOLTCKVQCQBS-NYYWCZLTSA-N -1 0 340.331 2.833 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(CC#N)c2)c1F ZINC001599490825 996936102 /nfs/dbraw/zinc/93/61/02/996936102.db2.gz YCBQQFYRUPDRDJ-UHFFFAOYSA-N -1 0 328.299 2.851 20 30 EFEDRM CC1(C)CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@](C)(C(F)(F)F)O1 ZINC001593947226 997002829 /nfs/dbraw/zinc/00/28/29/997002829.db2.gz REKQQNOGCWSUNT-AWEZNQCLSA-N -1 0 343.305 2.588 20 30 EFEDRM COCc1cc(NC(=O)c2c(F)cc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC001599288670 997025844 /nfs/dbraw/zinc/02/58/44/997025844.db2.gz MFFGOGQPDOCCML-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COc1cc(C)c(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc1OC ZINC001599390668 997028753 /nfs/dbraw/zinc/02/87/53/997028753.db2.gz ITCVJLBETSDQRJ-XFFZJAGNSA-N -1 0 342.351 2.577 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(c1snc(Cl)c1C#N)CC2 ZINC001599498427 997061933 /nfs/dbraw/zinc/06/19/33/997061933.db2.gz PFVJTVWDHJLPAU-UHFFFAOYSA-N -1 0 349.799 2.938 20 30 EFEDRM COCc1cccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599295968 997142497 /nfs/dbraw/zinc/14/24/97/997142497.db2.gz VRIGUALBWFCCSA-UHFFFAOYSA-N -1 0 339.347 2.689 20 30 EFEDRM CC1(C)OCC[C@@H]1NN=Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001593982801 997218888 /nfs/dbraw/zinc/21/88/88/997218888.db2.gz XNWVPQFUSVFTJN-LBPRGKRZSA-N -1 0 341.205 2.638 20 30 EFEDRM CC1(C)[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC001593987356 997229488 /nfs/dbraw/zinc/22/94/88/997229488.db2.gz TXOHQZSVNZMYCZ-HUUCEWRRSA-N -1 0 341.411 2.579 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CC#Cc2ccccc2)cc1 ZINC001599510854 997296159 /nfs/dbraw/zinc/29/61/59/997296159.db2.gz PWTHOWCWLJGHSH-GOSISDBHSA-N -1 0 337.375 2.769 20 30 EFEDRM COc1cc(CNC(=O)/C=C/c2ccccc2C#N)ccc1C(=O)[O-] ZINC001599408792 997382101 /nfs/dbraw/zinc/38/21/01/997382101.db2.gz FSJHXPNHSLSJCL-VQHVLOKHSA-N -1 0 336.347 2.595 20 30 EFEDRM COc1cc(CNc2ccc([N+](=O)[O-])cc2C#N)ccc1C(=O)[O-] ZINC001599418403 997551384 /nfs/dbraw/zinc/55/13/84/997551384.db2.gz HFOFDIDCKFIRQT-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599320096 997566606 /nfs/dbraw/zinc/56/66/06/997566606.db2.gz BJRMDXDRZYJOAO-MRXNPFEDSA-N -1 0 345.326 2.659 20 30 EFEDRM COc1ccc([C@@H](NCC#Cc2ccc(F)cc2)C(=O)[O-])c(OC)c1 ZINC001599527982 997596430 /nfs/dbraw/zinc/59/64/30/997596430.db2.gz RLUNKTLAXSYAOS-GOSISDBHSA-N -1 0 343.354 2.610 20 30 EFEDRM CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599113144 997606013 /nfs/dbraw/zinc/60/60/13/997606013.db2.gz RFKYFUGSHZUVJF-MJEQTWJJSA-N -1 0 331.368 2.822 20 30 EFEDRM COCC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)o1 ZINC001599217979 997616413 /nfs/dbraw/zinc/61/64/13/997616413.db2.gz OIMRDHNQUDWNCJ-WBVHZDCISA-N -1 0 328.368 2.953 20 30 EFEDRM COc1ccc([C@H](NCc2ccc(Cl)cc2C#N)C(=O)[O-])cc1O ZINC001599533255 997697014 /nfs/dbraw/zinc/69/70/14/997697014.db2.gz XXPPURBYWIGKNB-INIZCTEOSA-N -1 0 346.770 2.841 20 30 EFEDRM COc1cc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c(F)cc1C#N ZINC001599438121 997884435 /nfs/dbraw/zinc/88/44/35/997884435.db2.gz SZGQCLAGKYYWKE-CYBMUJFWSA-N -1 0 349.362 2.861 20 30 EFEDRM COc1cc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(F)cc1C#N ZINC001599438501 997892003 /nfs/dbraw/zinc/89/20/03/997892003.db2.gz YIBHFIIMPPKONQ-ZDUSSCGKSA-N -1 0 337.351 2.717 20 30 EFEDRM COc1c(NC(=O)NCc2ccc(C)c(C#N)c2)cccc1C(=O)[O-] ZINC001599339396 997895196 /nfs/dbraw/zinc/89/51/96/997895196.db2.gz PSAZGZQHYGTZMK-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(C)c(C#N)cn1 ZINC001599545884 997922439 /nfs/dbraw/zinc/92/24/39/997922439.db2.gz KETOGUNIYGWGTR-XQRVVYSFSA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1C(=O)[O-] ZINC001599444014 997977200 /nfs/dbraw/zinc/97/72/00/997977200.db2.gz COUSUEBYHMFEQE-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM COc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cc2OC)cn1 ZINC001599550033 997990397 /nfs/dbraw/zinc/99/03/97/997990397.db2.gz IJTIHQSBFSEQFE-UHFFFAOYSA-N -1 0 329.356 2.828 20 30 EFEDRM COc1ccc(C[C@@H](C)Nc2ccc(C(=O)[O-])nc2C#N)cc1OC ZINC001599550550 997999973 /nfs/dbraw/zinc/99/99/73/997999973.db2.gz FVMVQUBHNOCXNT-LLVKDONJSA-N -1 0 341.367 2.712 20 30 EFEDRM COc1cc(OC(=O)[C@@H](CC#N)c2ccccc2)ccc1C(=O)[O-] ZINC001599446229 998013782 /nfs/dbraw/zinc/01/37/82/998013782.db2.gz PSZHGSGNSHAAJE-AWEZNQCLSA-N -1 0 325.320 2.996 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001599347390 998032378 /nfs/dbraw/zinc/03/23/78/998032378.db2.gz FGUFBSUFZMRJPE-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC1CC1 ZINC001594095187 998062121 /nfs/dbraw/zinc/06/21/21/998062121.db2.gz CGXOSRFROGLNKR-HNNXBMFYSA-N -1 0 329.331 2.532 20 30 EFEDRM Cc1cc([C@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)[O-])ccc1C#N ZINC001594095272 998063154 /nfs/dbraw/zinc/06/31/54/998063154.db2.gz HHZIRWNMIUHFTB-MRXNPFEDSA-N -1 0 325.368 2.702 20 30 EFEDRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C#N ZINC001599353049 998129945 /nfs/dbraw/zinc/12/99/45/998129945.db2.gz HKIUGSXYBBRQEL-LBPRGKRZSA-N -1 0 330.365 2.574 20 30 EFEDRM COC(=O)c1cc(OC(=O)CC2(C#N)CCCCC2)cc(C(=O)[O-])c1 ZINC001598950348 998138972 /nfs/dbraw/zinc/13/89/72/998138972.db2.gz UHNKLCGFRATNHN-UHFFFAOYSA-N -1 0 345.351 2.941 20 30 EFEDRM COc1cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)ccc1C#N ZINC001599354081 998147326 /nfs/dbraw/zinc/14/73/26/998147326.db2.gz RZCCSQVHAGCBDP-UHFFFAOYSA-N -1 0 330.384 2.864 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)O1 ZINC001594105185 998158281 /nfs/dbraw/zinc/15/82/81/998158281.db2.gz UDSMCBJTSSKGIM-OCCSQVGLSA-N -1 0 340.301 2.899 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)ccc1C#N ZINC001599355921 998179521 /nfs/dbraw/zinc/17/95/21/998179521.db2.gz QATKRROLVOQERF-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM COc1cc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccc1C#N ZINC001599356231 998183805 /nfs/dbraw/zinc/18/38/05/998183805.db2.gz BPMMBVYOIPSUSS-UHFFFAOYSA-N -1 0 343.364 2.851 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1OC ZINC001599257541 998329759 /nfs/dbraw/zinc/32/97/59/998329759.db2.gz JVOSVNHAFKDQHC-XQRVVYSFSA-N -1 0 346.335 2.908 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCCc1ccccc1C(=O)[O-] ZINC001599257780 998332939 /nfs/dbraw/zinc/33/29/39/998332939.db2.gz XDEKPRVCWOKKOI-UHFFFAOYSA-N -1 0 340.379 2.936 20 30 EFEDRM COc1ccc(CNC(=O)Nc2scc(C)c2C#N)cc1C(=O)[O-] ZINC001599569433 998342183 /nfs/dbraw/zinc/34/21/83/998342183.db2.gz NZIZCUMQKWIPKC-UHFFFAOYSA-N -1 0 345.380 2.957 20 30 EFEDRM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CC#Cc1ccccc1 ZINC001594132526 998354753 /nfs/dbraw/zinc/35/47/53/998354753.db2.gz MTJUOAPGZCWAGL-CYBMUJFWSA-N -1 0 348.358 2.500 20 30 EFEDRM COc1ccc(CNN=Cc2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC001599572566 998388318 /nfs/dbraw/zinc/38/83/18/998388318.db2.gz DSHXXZFZJYOSNR-CYBMUJFWSA-N -1 0 328.368 2.671 20 30 EFEDRM COc1ccc(COCCCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599574216 998415694 /nfs/dbraw/zinc/41/56/94/998415694.db2.gz BSCGUQJEUNAEBP-UHFFFAOYSA-N -1 0 341.367 2.679 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1cncc(C(=O)[O-])c1 ZINC001599577420 998467788 /nfs/dbraw/zinc/46/77/88/998467788.db2.gz TXFRDSIUDJGWBM-UHFFFAOYSA-N -1 0 345.738 2.650 20 30 EFEDRM COC(=O)c1ccc(C)c(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001598971181 998517168 /nfs/dbraw/zinc/51/71/68/998517168.db2.gz UWZUJPFTDQGUPS-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COc1ccc(C#N)cc1COc1ccccc1[C@H](OC)C(=O)[O-] ZINC001599476575 998542142 /nfs/dbraw/zinc/54/21/42/998542142.db2.gz FRYUMAAHPYPORP-KRWDZBQOSA-N -1 0 327.336 2.918 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599476936 998548598 /nfs/dbraw/zinc/54/85/98/998548598.db2.gz PYMSCYSNRIMNAV-QMMMGPOBSA-N -1 0 346.368 2.604 20 30 EFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001594156179 998568034 /nfs/dbraw/zinc/56/80/34/998568034.db2.gz JGBSDDOONUYTBG-RDTXWAMCSA-N -1 0 349.390 2.808 20 30 EFEDRM COC(=O)c1cccc(COc2ccc(CC(=O)[O-])cc2)c1C#N ZINC001598995125 998772444 /nfs/dbraw/zinc/77/24/44/998772444.db2.gz ZSVYCTVFFXTDFZ-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1ccccc1C#N ZINC001599026835 999022409 /nfs/dbraw/zinc/02/24/09/999022409.db2.gz OWJVLYLCDLMYBC-KRWDZBQOSA-N -1 0 327.336 2.788 20 30 EFEDRM C[C@@H]1C[C@@]2(C[C@@H]2C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001594287744 999113505 /nfs/dbraw/zinc/11/35/05/999113505.db2.gz XFFDHGWANWOHOL-PZDGAKPMSA-N -1 0 329.352 2.505 20 30 EFEDRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594293469 999132578 /nfs/dbraw/zinc/13/25/78/999132578.db2.gz VSXVHEMUGNXGDK-ZLDLUXBVSA-N -1 0 348.424 2.598 20 30 EFEDRM C[C@@H]1CC[C@](NCc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594322075 999240087 /nfs/dbraw/zinc/24/00/87/999240087.db2.gz ZBDGHNFQLBOSGV-PIGZYNQJSA-N -1 0 327.409 2.982 20 30 EFEDRM C[C@@H]1CC[C@@](NCc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594322070 999240189 /nfs/dbraw/zinc/24/01/89/999240189.db2.gz ZBDGHNFQLBOSGV-DIFFPNOSSA-N -1 0 327.409 2.982 20 30 EFEDRM C[C@H]1CCc2nc(NC(=O)c3ccoc3CC(=O)[O-])c(C#N)cc2C1 ZINC001594450549 999647756 /nfs/dbraw/zinc/64/77/56/999647756.db2.gz HRHFFUGEJXXRTJ-JTQLQIEISA-N -1 0 339.351 2.550 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccncc2Oc2ccccc2)[n-]c1C#N ZINC001570860881 1086573525 /nfs/dbraw/zinc/57/35/25/1086573525.db2.gz CZKBTWQNJWVBPU-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC001574790755 1088098838 /nfs/dbraw/zinc/09/88/38/1088098838.db2.gz WZHJOXHQJQRILC-MRXNPFEDSA-N -1 0 333.347 2.638 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(C(C)C)CC1 ZINC001646702769 1088116213 /nfs/dbraw/zinc/11/62/13/1088116213.db2.gz VXXRUWUTOSLTEI-UHFFFAOYSA-N -1 0 340.431 2.810 20 30 EFEDRM CC[C@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C1 ZINC001646924751 1088580455 /nfs/dbraw/zinc/58/04/55/1088580455.db2.gz ODSYCBVBEXVGRZ-LBPRGKRZSA-N -1 0 338.415 2.564 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC001647080227 1088848908 /nfs/dbraw/zinc/84/89/08/1088848908.db2.gz AVINYPDNGOZVLX-AWEZNQCLSA-N -1 0 342.420 2.947 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC001647092410 1088884912 /nfs/dbraw/zinc/88/49/12/1088884912.db2.gz YKQXXPIVTBJORQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001647724009 1089861652 /nfs/dbraw/zinc/86/16/52/1089861652.db2.gz VVRVJQXMBCNCJF-VNQPRFMTSA-N -1 0 329.400 2.926 20 30 EFEDRM C[C@@H](OC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC001580310881 1090857965 /nfs/dbraw/zinc/85/79/65/1090857965.db2.gz ULACYAKGWJAGTN-GFCCVEGCSA-N -1 0 333.351 2.585 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1cc(Cl)cc2ccccc21 ZINC001581860794 1091321788 /nfs/dbraw/zinc/32/17/88/1091321788.db2.gz TYGKXAQUPRWORS-UHFFFAOYSA-N -1 0 335.758 2.790 20 30 EFEDRM N#Cc1ncc(Nc2ccc(OC3CCCC3)cc2)nc1-c1nnn[n-]1 ZINC001581885339 1091332403 /nfs/dbraw/zinc/33/24/03/1091332403.db2.gz WZVDPBBQJPHOPM-UHFFFAOYSA-N -1 0 348.370 2.593 20 30 EFEDRM CC1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)CC1 ZINC001649272054 1092292245 /nfs/dbraw/zinc/29/22/45/1092292245.db2.gz OVEMSIUBFREMDV-UHFFFAOYSA-N -1 0 338.415 2.564 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1cccc(Cl)c1 ZINC001649709967 1092611454 /nfs/dbraw/zinc/61/14/54/1092611454.db2.gz UBUNJOCHQFKVJM-NSHDSACASA-N -1 0 348.811 2.820 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001649732689 1092632619 /nfs/dbraw/zinc/63/26/19/1092632619.db2.gz UXDQTFQMGCOSQV-RBSFLKMASA-N -1 0 346.452 2.970 20 30 EFEDRM O=C(/C=C\c1ccc(F)nc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000588524092 1092857923 /nfs/dbraw/zinc/85/79/23/1092857923.db2.gz YKZYDDOIJZSPQV-RJRFIUFISA-N -1 0 342.370 2.655 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588455591 1092946201 /nfs/dbraw/zinc/94/62/01/1092946201.db2.gz ALBFNPTXCIZTOG-AOOOYVTPSA-N -1 0 330.323 2.601 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nn[nH]n2)c(Br)cn1 ZINC001588456050 1092946767 /nfs/dbraw/zinc/94/67/67/1092946767.db2.gz HHCKDYZPCXQXFP-AOOOYVTPSA-N -1 0 347.220 2.712 20 30 EFEDRM C=C1CC(C)(C(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001588448966 1092947529 /nfs/dbraw/zinc/94/75/29/1092947529.db2.gz IFNRNIBUKBFWMQ-UHFFFAOYSA-N -1 0 335.411 2.839 20 30 EFEDRM C=C(CC)CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC001588441948 1092947675 /nfs/dbraw/zinc/94/76/75/1092947675.db2.gz KHGROSNAQDWBNU-UHFFFAOYSA-N -1 0 330.392 2.742 20 30 EFEDRM C=C(CNC(=O)c1c[nH]c2cccc(-c3nn[nH]n3)c12)c1ccccc1 ZINC001588443978 1092947912 /nfs/dbraw/zinc/94/79/12/1092947912.db2.gz CVVZCLGOTFBMQB-UHFFFAOYSA-N -1 0 344.378 2.791 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001588456817 1092948002 /nfs/dbraw/zinc/94/80/02/1092948002.db2.gz WQOCNIKTIJVGGA-TXEJJXNPSA-N -1 0 329.791 2.843 20 30 EFEDRM C=CC(C)(C)CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2n1CC ZINC001588486082 1092949477 /nfs/dbraw/zinc/94/94/77/1092949477.db2.gz CGJGEZLHPACRIN-UHFFFAOYSA-N -1 0 339.403 2.777 20 30 EFEDRM C=CCC(C)(C)c1noc(-c2cc(-c3nn[nH]n3)cc(N(C)C)c2)n1 ZINC001588539262 1092954294 /nfs/dbraw/zinc/95/42/94/1092954294.db2.gz DLFTXXKLWGJTLE-UHFFFAOYSA-N -1 0 339.403 2.836 20 30 EFEDRM C=CC[C@H](CC)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC001588541800 1092954625 /nfs/dbraw/zinc/95/46/25/1092954625.db2.gz SPLQXNPGVASXGQ-LBPRGKRZSA-N -1 0 331.424 2.899 20 30 EFEDRM C=CCC(C)(C)c1noc(COc2ccccc2-c2nn[nH]n2)n1 ZINC001588539481 1092954951 /nfs/dbraw/zinc/95/49/51/1092954951.db2.gz MYMSIAMMIWGUHS-UHFFFAOYSA-N -1 0 326.360 2.682 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[nH]n1 ZINC001588541820 1092955871 /nfs/dbraw/zinc/95/58/71/1092955871.db2.gz SVJOYFSTVRCJLT-GFCCVEGCSA-N -1 0 343.435 2.717 20 30 EFEDRM C=CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC001588539610 1092956459 /nfs/dbraw/zinc/95/64/59/1092956459.db2.gz RIAWLGOKVALBKJ-JTQLQIEISA-N -1 0 327.344 2.680 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(c1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001588609051 1092967694 /nfs/dbraw/zinc/96/76/94/1092967694.db2.gz TXOCLOZPNBTVLP-ZDUSSCGKSA-N -1 0 341.415 2.733 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001588653704 1092976984 /nfs/dbraw/zinc/97/69/84/1092976984.db2.gz VFYHMTMLWPRJKQ-UHFFFAOYSA-N -1 0 341.400 2.543 20 30 EFEDRM CC#CCCOC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001588746214 1092982760 /nfs/dbraw/zinc/98/27/60/1092982760.db2.gz NXTDFSXTSMDMGJ-UHFFFAOYSA-N -1 0 349.350 2.624 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(OC(F)F)c2)o1 ZINC001588781298 1092992858 /nfs/dbraw/zinc/99/28/58/1092992858.db2.gz SLTKIVUYLKPQAR-UHFFFAOYSA-N -1 0 349.301 2.601 20 30 EFEDRM CC#CCN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588931494 1093012558 /nfs/dbraw/zinc/01/25/58/1093012558.db2.gz WYFKFSHJYFHQDP-UHFFFAOYSA-N -1 0 329.400 2.862 20 30 EFEDRM CC(C)(C)OC1CCN(c2c(C#N)cccc2-c2nn[nH]n2)CC1 ZINC001589193311 1093042817 /nfs/dbraw/zinc/04/28/17/1093042817.db2.gz PQXSDSYZNDPVLX-UHFFFAOYSA-N -1 0 326.404 2.522 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@H]3C=C[C@@H]2CC3)o1 ZINC001589238234 1093054905 /nfs/dbraw/zinc/05/49/05/1093054905.db2.gz PHBJHWUZZRSOFP-VHSXEESVSA-N -1 0 327.392 2.906 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c1C#N ZINC001589237745 1093056354 /nfs/dbraw/zinc/05/63/54/1093056354.db2.gz YPXAXXWMKDQZRH-UHFFFAOYSA-N -1 0 342.384 2.943 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCC(F)(F)C2)o1 ZINC001589237681 1093056502 /nfs/dbraw/zinc/05/65/02/1093056502.db2.gz CODYBXXLXMVYGR-QMMMGPOBSA-N -1 0 339.350 2.985 20 30 EFEDRM CC(C)[C@H](CNc1c(C#N)cccc1-c1nn[nH]n1)c1cccnc1 ZINC001589456231 1093085991 /nfs/dbraw/zinc/08/59/91/1093085991.db2.gz CUYAINPREFCRQK-INIZCTEOSA-N -1 0 333.399 2.985 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001650295706 1093119455 /nfs/dbraw/zinc/11/94/55/1093119455.db2.gz DMMZFJFOXMCVBM-GFCCVEGCSA-N -1 0 340.431 2.810 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CCOC23CCCC3)o1 ZINC001589664841 1093123089 /nfs/dbraw/zinc/12/30/89/1093123089.db2.gz YYIGNGZVZKKTKZ-UHFFFAOYSA-N -1 0 345.407 2.554 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2cccc(F)c2)o1 ZINC001589835731 1093156243 /nfs/dbraw/zinc/15/62/43/1093156243.db2.gz DTVBNVFNCCPASP-UHFFFAOYSA-N -1 0 329.339 2.723 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2cccc(C)c2)o1 ZINC001589836612 1093159456 /nfs/dbraw/zinc/15/94/56/1093159456.db2.gz MRGMZFMTSVGLIE-UHFFFAOYSA-N -1 0 325.376 2.892 20 30 EFEDRM CCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccncc1 ZINC001590359144 1093390701 /nfs/dbraw/zinc/39/07/01/1093390701.db2.gz PCAMRNYNPMBLOJ-UHFFFAOYSA-N -1 0 326.364 2.599 20 30 EFEDRM CC(C)(C)c1nc(NC(=O)c2cc(O)cc(C#N)c2)sc1C(=O)[O-] ZINC001590544503 1093481253 /nfs/dbraw/zinc/48/12/53/1093481253.db2.gz GJQFXLXZDSVZOQ-UHFFFAOYSA-N -1 0 345.380 2.968 20 30 EFEDRM CCC[C@@H]1CCCC[C@@H]1CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590569293 1093492707 /nfs/dbraw/zinc/49/27/07/1093492707.db2.gz KLOYVBSNFOFYOE-VXGBXAGGSA-N -1 0 326.408 2.547 20 30 EFEDRM CCCCCC[C@@](C)(CC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC001590590027 1093502247 /nfs/dbraw/zinc/50/22/47/1093502247.db2.gz MBIGMIDRKFBIRP-MRXNPFEDSA-N -1 0 344.423 2.787 20 30 EFEDRM CCCCCCC[C@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590592804 1093503203 /nfs/dbraw/zinc/50/32/03/1093503203.db2.gz KMOPDFDYSKZTGV-LBPRGKRZSA-N -1 0 328.424 2.937 20 30 EFEDRM CCCCCCCCNS(=O)(=O)c1ccsc1-c1nnn[n-]1 ZINC001590592549 1093503564 /nfs/dbraw/zinc/50/35/64/1093503564.db2.gz YCKSSJQSLJWHSF-UHFFFAOYSA-N -1 0 343.478 2.567 20 30 EFEDRM CCCCCCCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC001590592864 1093506841 /nfs/dbraw/zinc/50/68/41/1093506841.db2.gz NEVHFMKFWBVELF-UHFFFAOYSA-N -1 0 330.396 2.541 20 30 EFEDRM CCCn1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001590664010 1093536515 /nfs/dbraw/zinc/53/65/15/1093536515.db2.gz IWWDQTHVEFZBOK-UHFFFAOYSA-N -1 0 342.407 2.810 20 30 EFEDRM COCc1csc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001591459646 1093730015 /nfs/dbraw/zinc/73/00/15/1093730015.db2.gz QXHVRPJCDXUPGY-UHFFFAOYSA-N -1 0 347.404 2.632 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(F)cc2[O-])ccc1-c1nn[nH]n1 ZINC001591522949 1093751082 /nfs/dbraw/zinc/75/10/82/1093751082.db2.gz NLDCENSJVYWVJL-XVNBXDOJSA-N -1 0 340.314 2.616 20 30 EFEDRM COc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1C ZINC001591523720 1093752348 /nfs/dbraw/zinc/75/23/48/1093752348.db2.gz ZRYJVKAUTOUTIY-UHFFFAOYSA-N -1 0 341.375 2.741 20 30 EFEDRM COc1ccc(C)cc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001591576550 1093777297 /nfs/dbraw/zinc/77/72/97/1093777297.db2.gz NAKHNHCWIWBLFO-UHFFFAOYSA-N -1 0 341.375 2.741 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(C)n1C ZINC001591958409 1093933177 /nfs/dbraw/zinc/93/31/77/1093933177.db2.gz CUBXCOXQMZHAOH-UHFFFAOYSA-N -1 0 342.407 2.554 20 30 EFEDRM Cc1cc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)ccc1-c1nn[nH]n1 ZINC001591959665 1093933595 /nfs/dbraw/zinc/93/35/95/1093933595.db2.gz VFNCYRHWLKTVHG-UITAMQMPSA-N -1 0 348.362 2.698 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001592113458 1093984374 /nfs/dbraw/zinc/98/43/74/1093984374.db2.gz NKFQQFIBYFONHY-GFCCVEGCSA-N -1 0 332.367 2.538 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592113698 1093984428 /nfs/dbraw/zinc/98/44/28/1093984428.db2.gz ZSLJQOYZPDGQHC-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1 ZINC001592113469 1093984493 /nfs/dbraw/zinc/98/44/93/1093984493.db2.gz NMSZKPYDUNNOEO-UHFFFAOYSA-N -1 0 346.394 2.963 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1c(C)cc(-c2nn[nH]n2)cc1C ZINC001592113066 1093985369 /nfs/dbraw/zinc/98/53/69/1093985369.db2.gz DHAXNUUKJWZORE-UHFFFAOYSA-N -1 0 332.367 2.916 20 30 EFEDRM Cc1ccc([C@@H](C)C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)cc1 ZINC001592135934 1093992781 /nfs/dbraw/zinc/99/27/81/1093992781.db2.gz ZBVZOWWMHIALJK-ZDUSSCGKSA-N -1 0 336.399 2.591 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1c(C)ccc2ccccc21 ZINC001592205862 1094030900 /nfs/dbraw/zinc/03/09/00/1094030900.db2.gz BHAGPQRTXFWKGS-UHFFFAOYSA-N -1 0 329.367 2.753 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(C(F)(F)F)s2)o1 ZINC001592338579 1094081128 /nfs/dbraw/zinc/08/11/28/1094081128.db2.gz IHDIQHKVZAKXPX-UHFFFAOYSA-N -1 0 343.294 2.689 20 30 EFEDRM N#Cc1ccc(COc2ccc(F)nc2-c2nnn[n-]2)c(Cl)c1 ZINC001592694199 1094179185 /nfs/dbraw/zinc/17/91/85/1094179185.db2.gz OJGVAWSGGHWBSY-UHFFFAOYSA-N -1 0 330.710 2.505 20 30 EFEDRM N#Cc1nc(Sc2ccc3c(c2)CCCC3)cnc1-c1nnn[n-]1 ZINC001592707706 1094182635 /nfs/dbraw/zinc/18/26/35/1094182635.db2.gz WSDDYGCPCGPAAD-UHFFFAOYSA-N -1 0 335.396 2.558 20 30 EFEDRM N#Cc1nc(S[C@@H]2CCCc3ccccc32)cnc1-c1nnn[n-]1 ZINC001592707425 1094183078 /nfs/dbraw/zinc/18/30/78/1094183078.db2.gz CNBUOXBUBAOJEW-CYBMUJFWSA-N -1 0 335.396 2.698 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC001593282634 1094265432 /nfs/dbraw/zinc/26/54/32/1094265432.db2.gz YPVJOQWPDFYQFL-WAYWQWQTSA-N -1 0 326.337 2.523 20 30 EFEDRM O=C([O-])[C@H]1CC(=Cc2cccc(-c3nn[nH]n3)c2)C(=O)c2ccccc21 ZINC001593380865 1094304296 /nfs/dbraw/zinc/30/42/96/1094304296.db2.gz UPOBGOXDAXYZFV-OVHOFWQVSA-N -1 0 346.346 2.705 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccc(Br)nc2)n1C ZINC001599984387 1094701908 /nfs/dbraw/zinc/70/19/08/1094701908.db2.gz HVZHVBLCKRRLOI-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)OCC(=O)CCC(=O)[O-] ZINC001600006194 1094715901 /nfs/dbraw/zinc/71/59/01/1094715901.db2.gz DWGHIOQQNQNRDN-UHFFFAOYSA-N -1 0 331.349 2.672 20 30 EFEDRM Cc1c(/C=C2/COc3ccc(Cl)cc3C2=O)c(C(=O)[O-])nn1C ZINC001600008733 1094716439 /nfs/dbraw/zinc/71/64/39/1094716439.db2.gz AGNRNNMWFXLIJN-UITAMQMPSA-N -1 0 332.743 2.739 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc(F)cc2N(C)C)c(C(=O)[O-])nn1C ZINC001600008861 1094716864 /nfs/dbraw/zinc/71/68/64/1094716864.db2.gz DSXOWADEAFSOII-BQYQJAHWSA-N -1 0 331.347 2.528 20 30 EFEDRM Cc1c(NC(=O)Cc2cccc(OCC#N)c2)ccc(F)c1C(=O)[O-] ZINC001600035826 1094731870 /nfs/dbraw/zinc/73/18/70/1094731870.db2.gz RKBXYBNZPMCPML-UHFFFAOYSA-N -1 0 342.326 2.916 20 30 EFEDRM Cc1cc(NC(=O)Nc2cccc(C(=O)[O-])c2C)nn1CCC#N ZINC001600044112 1094738028 /nfs/dbraw/zinc/73/80/28/1094738028.db2.gz HOMQHSOBDBYCBN-UHFFFAOYSA-N -1 0 327.344 2.756 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)c1c[nH]c(C#N)c1 ZINC001600068089 1094749862 /nfs/dbraw/zinc/74/98/62/1094749862.db2.gz SGYXLCPLBDKXCM-UHFFFAOYSA-N -1 0 348.156 2.908 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NCCO[C@H](C)C#N ZINC001600068968 1094750873 /nfs/dbraw/zinc/75/08/73/1094750873.db2.gz ZTKPVYICQUOMQA-SECBINFHSA-N -1 0 327.178 2.796 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600074600 1094753231 /nfs/dbraw/zinc/75/32/31/1094753231.db2.gz LJADOKFQDXIZLS-SRABZTEZSA-N -1 0 327.380 2.760 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001600074631 1094753244 /nfs/dbraw/zinc/75/32/44/1094753244.db2.gz MVIBNWSOMUXHIM-APWZRJJASA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccccc1CC(=O)[O-] ZINC001600074885 1094754126 /nfs/dbraw/zinc/75/41/26/1094754126.db2.gz UYKYUVQBOKPKOO-UHFFFAOYSA-N -1 0 336.391 2.661 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001600075469 1094755552 /nfs/dbraw/zinc/75/55/52/1094755552.db2.gz ZZYPFSHPCOLMRL-GOSISDBHSA-N -1 0 326.327 2.736 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001600076393 1094756291 /nfs/dbraw/zinc/75/62/91/1094756291.db2.gz XXVKUVRIVUVHPI-AWEZNQCLSA-N -1 0 337.379 2.625 20 30 EFEDRM Cc1cc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc(C)c1C#N ZINC001600078465 1094757635 /nfs/dbraw/zinc/75/76/35/1094757635.db2.gz ANJXUMQADOWTOI-UHFFFAOYSA-N -1 0 329.381 2.535 20 30 EFEDRM Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)cc(C)c1OCC(=O)[O-] ZINC001600080481 1094759401 /nfs/dbraw/zinc/75/94/01/1094759401.db2.gz YBNQLWJWMHXSPJ-UHFFFAOYSA-N -1 0 347.342 2.938 20 30 EFEDRM Cc1ccc(C(=O)[O-])c2c1N(C(=O)c1cc(C)c(C#N)cn1)CCC2 ZINC001600083538 1094760445 /nfs/dbraw/zinc/76/04/45/1094760445.db2.gz VRNJLELYXHPMFH-UHFFFAOYSA-N -1 0 335.363 2.861 20 30 EFEDRM Cc1cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc(C)c1C#N ZINC001600088408 1094763416 /nfs/dbraw/zinc/76/34/16/1094763416.db2.gz WSFUJNHJUFPMLS-UHFFFAOYSA-N -1 0 327.340 2.526 20 30 EFEDRM Cc1cc(C(=O)NCC(C)(C)CCC#N)cc(C)c1OCC(=O)[O-] ZINC001600091699 1094765182 /nfs/dbraw/zinc/76/51/82/1094765182.db2.gz DRNCZKBSQIURFW-UHFFFAOYSA-N -1 0 332.400 2.827 20 30 EFEDRM Cc1cc(C(=O)NCCSCc2ccccc2C#N)oc1C(=O)[O-] ZINC001600092905 1094766815 /nfs/dbraw/zinc/76/68/15/1094766815.db2.gz LWXQUGDKCSPTEL-UHFFFAOYSA-N -1 0 344.392 2.821 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)nn1C(C)C ZINC001600133891 1094793273 /nfs/dbraw/zinc/79/32/73/1094793273.db2.gz AJLRGRFNMZZXPV-HNNXBMFYSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc(Cl)n1 ZINC001600139017 1094796237 /nfs/dbraw/zinc/79/62/37/1094796237.db2.gz YWDDCSRUCUKWFW-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1cc(C)c(C#N)c(SCSc2nccc(C(=O)[O-])n2)n1 ZINC001600146244 1094804662 /nfs/dbraw/zinc/80/46/62/1094804662.db2.gz BSTZWMQRMKHABA-UHFFFAOYSA-N -1 0 332.410 2.900 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2ncc(C#N)cc2Cl)C(=O)[O-])ccc1F ZINC001600148351 1094806809 /nfs/dbraw/zinc/80/68/09/1094806809.db2.gz NRNGZYOHBJRVAE-ZDUSSCGKSA-N -1 0 347.733 2.610 20 30 EFEDRM Cc1cc(C)c2cc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)sc2n1 ZINC001600165896 1094832258 /nfs/dbraw/zinc/83/22/58/1094832258.db2.gz HFXOSAOMHDIQEV-UHFFFAOYSA-N -1 0 343.408 2.744 20 30 EFEDRM Cc1cc(C)n([C@@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600177215 1094842213 /nfs/dbraw/zinc/84/22/13/1094842213.db2.gz BARHBSAIFKVJTR-ZDUSSCGKSA-N -1 0 341.367 2.764 20 30 EFEDRM Cc1cc(C)n2c(nnc2SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600178903 1094845814 /nfs/dbraw/zinc/84/58/14/1094845814.db2.gz DNIYCDCEOVPMNJ-UHFFFAOYSA-N -1 0 339.380 2.603 20 30 EFEDRM Cc1cc(C=NN2C(=S)N=NC2c2ccccc2F)[nH]c1C(=O)[O-] ZINC001600186027 1094851216 /nfs/dbraw/zinc/85/12/16/1094851216.db2.gz NUMJAYVQBGVONB-UHFFFAOYSA-N -1 0 345.359 2.590 20 30 EFEDRM Cc1cc(CNC(=O)[C@H](C#N)CCc2ccccc2)oc1C(=O)[O-] ZINC001600197434 1094868215 /nfs/dbraw/zinc/86/82/15/1094868215.db2.gz NTGIYSHRFBLVKT-AWEZNQCLSA-N -1 0 326.352 2.675 20 30 EFEDRM Cc1cc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)oc1C(=O)[O-] ZINC001600200824 1094871795 /nfs/dbraw/zinc/87/17/95/1094871795.db2.gz BUXBFSZXWVYZHV-NSHDSACASA-N -1 0 343.339 2.899 20 30 EFEDRM Cc1cc(CNc2ccc(C(=O)[O-])nc2C#N)cc(N2CCCC2)n1 ZINC001600211802 1094887405 /nfs/dbraw/zinc/88/74/05/1094887405.db2.gz VQLABSRKCXHMDJ-UHFFFAOYSA-N -1 0 337.383 2.567 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N(CC#N)c1ccc(F)cc1C ZINC001600233796 1094907850 /nfs/dbraw/zinc/90/78/50/1094907850.db2.gz MVBGPJRKESKEQP-UHFFFAOYSA-N -1 0 330.315 2.833 20 30 EFEDRM Cc1cc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc(C#N)c1[N+](=O)[O-] ZINC001600242972 1094913276 /nfs/dbraw/zinc/91/32/76/1094913276.db2.gz CXRYZDBADNWVQG-CXAGYDPISA-N -1 0 329.356 2.856 20 30 EFEDRM Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)nc(C)c1C(=O)[O-] ZINC001600252121 1094916117 /nfs/dbraw/zinc/91/61/17/1094916117.db2.gz XBOJKWLSSXJCEO-UHFFFAOYSA-N -1 0 335.363 2.939 20 30 EFEDRM Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ncc1C(=O)[O-] ZINC001600257450 1094919198 /nfs/dbraw/zinc/91/91/98/1094919198.db2.gz WBXUDVLTNOQRBX-UHFFFAOYSA-N -1 0 341.392 2.832 20 30 EFEDRM Cc1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1C(=O)N(C)C ZINC001600282431 1094942100 /nfs/dbraw/zinc/94/21/00/1094942100.db2.gz MNMOOYHBEZVJRR-UHFFFAOYSA-N -1 0 337.379 2.879 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c(C)c1C#N ZINC001600292219 1094951387 /nfs/dbraw/zinc/95/13/87/1094951387.db2.gz FXWDANIWZBBZQR-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C#N)c(C)c1 ZINC001600292518 1094951775 /nfs/dbraw/zinc/95/17/75/1094951775.db2.gz RWPHTBAVKBMDON-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2C)ccc1C#N ZINC001600301252 1094952926 /nfs/dbraw/zinc/95/29/26/1094952926.db2.gz VPTCRCSNUPRFQR-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1cc2c(NC(=O)c3ccc(C(=O)[O-])cc3F)n[nH]c2cc1C#N ZINC001600306762 1094957579 /nfs/dbraw/zinc/95/75/79/1094957579.db2.gz SCNZQTLQRNAJSX-UHFFFAOYSA-N -1 0 338.298 2.833 20 30 EFEDRM Cc1cc2c(NC(=O)c3cc(F)cc(C(=O)[O-])c3)n[nH]c2cc1C#N ZINC001600307075 1094959876 /nfs/dbraw/zinc/95/98/76/1094959876.db2.gz WUICUNUFPYBBRZ-UHFFFAOYSA-N -1 0 338.298 2.833 20 30 EFEDRM Cc1ccc(-c2nnc([C@H](C)N(CC#N)CCC(=O)[O-])o2)cc1C ZINC001600318700 1094968630 /nfs/dbraw/zinc/96/86/30/1094968630.db2.gz HLHZLOPIYXIQOQ-ZDUSSCGKSA-N -1 0 328.372 2.715 20 30 EFEDRM Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)o1 ZINC001600328793 1094975509 /nfs/dbraw/zinc/97/55/09/1094975509.db2.gz GMLSPYZXHTVCSC-HYXAFXHYSA-N -1 0 331.280 2.856 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001600327912 1094976489 /nfs/dbraw/zinc/97/64/89/1094976489.db2.gz IEOSRXSQKCNLOZ-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1C#N ZINC001600336328 1094983117 /nfs/dbraw/zinc/98/31/17/1094983117.db2.gz JDZAYQYCQZIADA-CSLYMUCUSA-N -1 0 344.436 2.726 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1C#N ZINC001600342491 1094986045 /nfs/dbraw/zinc/98/60/45/1094986045.db2.gz LRWXCYLCGVLHLP-GOSISDBHSA-N -1 0 347.374 2.774 20 30 EFEDRM Cc1ccc(C(=O)[O-])c2c1N(CC(=O)Nc1ccc(C#N)cc1)CCC2 ZINC001600350999 1094992057 /nfs/dbraw/zinc/99/20/57/1094992057.db2.gz SOHTWILHLYRSBA-UHFFFAOYSA-N -1 0 349.390 2.956 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCCCC#N ZINC001600352161 1094992570 /nfs/dbraw/zinc/99/25/70/1094992570.db2.gz DJQCOAKGXGYPDG-LBPRGKRZSA-N -1 0 332.356 2.647 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)Cc1cc(C#N)ccc1F ZINC001600361036 1095002642 /nfs/dbraw/zinc/00/26/42/1095002642.db2.gz AHPKOANTIGMWEE-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001600375391 1095015823 /nfs/dbraw/zinc/01/58/23/1095015823.db2.gz GNNUKTWFKAGUKQ-QZTJIDSGSA-N -1 0 336.391 2.977 20 30 EFEDRM Cc1ccc([C@@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])cc1C ZINC001600383886 1095022325 /nfs/dbraw/zinc/02/23/25/1095022325.db2.gz ZRPQMTBZYVFUFG-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1ccc(C)c(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1C ZINC001600390215 1095028319 /nfs/dbraw/zinc/02/83/19/1095028319.db2.gz XACBNDXRUQODSY-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)n1 ZINC001600400577 1095036556 /nfs/dbraw/zinc/03/65/56/1095036556.db2.gz BMWCRAPHSVZREP-OAHLLOKOSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1ccc(COCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001600421515 1095053001 /nfs/dbraw/zinc/05/30/01/1095053001.db2.gz YYXFHXSWTBBBGJ-SFHVURJKSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1ccc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(C#N)n1 ZINC001600434479 1095063185 /nfs/dbraw/zinc/06/31/85/1095063185.db2.gz DUXXRMRBDHMZMQ-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001600433674 1095063879 /nfs/dbraw/zinc/06/38/79/1095063879.db2.gz SSWFQSMIFWLUCU-JKSUJKDBSA-N -1 0 330.384 2.654 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)nn1CCC#N ZINC001600455831 1095079751 /nfs/dbraw/zinc/07/97/51/1095079751.db2.gz BQLVUVCDTHRSQW-UHFFFAOYSA-N -1 0 327.344 2.756 20 30 EFEDRM Cc1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1C(=O)[O-] ZINC001600454970 1095080225 /nfs/dbraw/zinc/08/02/25/1095080225.db2.gz VRYAVUHCIMXEIO-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM Cc1ccc(NN=Cc2ccc3c(c2)oc(=O)n3C)cc1C(=O)[O-] ZINC001600463008 1095085439 /nfs/dbraw/zinc/08/54/39/1095085439.db2.gz LJTLXEOYCCZXTK-UHFFFAOYSA-N -1 0 325.324 2.584 20 30 EFEDRM Cc1ccc(SCCn2cc(C(=O)[O-])cc(C#N)c2=O)cc1C ZINC001600485008 1095100062 /nfs/dbraw/zinc/10/00/62/1095100062.db2.gz FLEMYFIKIZZFAK-UHFFFAOYSA-N -1 0 328.393 2.827 20 30 EFEDRM Cc1ccc2c(n1)sc(C(=O)[O-])c2NC(=O)c1ccc(C#N)cn1 ZINC001600493061 1095107240 /nfs/dbraw/zinc/10/72/40/1095107240.db2.gz FOIUZVOAFCPCSA-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM Cc1ccc2c(c1)nc(CN[C@H](C(=O)[O-])c1cccc(C#N)c1)n2C ZINC001600498552 1095112060 /nfs/dbraw/zinc/11/20/60/1095112060.db2.gz GVJAHUUOAYGDGP-SFHVURJKSA-N -1 0 334.379 2.669 20 30 EFEDRM Cc1ccc2c(c1C(=O)[O-])N(C(=O)CC1(C#N)CCOCC1)CCC2 ZINC001600499653 1095113665 /nfs/dbraw/zinc/11/36/65/1095113665.db2.gz XZXXMAONCAKXEJ-UHFFFAOYSA-N -1 0 342.395 2.683 20 30 EFEDRM Cc1ccc2nc(-c3ccco3)cc(C(=O)N(CC#N)CC(=O)[O-])c2c1 ZINC001600502203 1095115686 /nfs/dbraw/zinc/11/56/86/1095115686.db2.gz VBBUZGNIBMAMND-UHFFFAOYSA-N -1 0 349.346 2.854 20 30 EFEDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C#N)cc2)c1 ZINC001600515464 1095126724 /nfs/dbraw/zinc/12/67/24/1095126724.db2.gz XHKMWQKPWXTESQ-KRWDZBQOSA-N -1 0 338.363 2.578 20 30 EFEDRM Cc1cccc(C)c1OS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001600523771 1095134380 /nfs/dbraw/zinc/13/43/80/1095134380.db2.gz LVILFOQUIXZANR-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)/C=C\c1ccccc1C#N ZINC001600554818 1095159926 /nfs/dbraw/zinc/15/99/26/1095159926.db2.gz IOYRUMVWZZIACG-LPADLIQXSA-N -1 0 332.359 2.922 20 30 EFEDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001600557704 1095161196 /nfs/dbraw/zinc/16/11/96/1095161196.db2.gz XKDQJPMBCWMDCK-GOSISDBHSA-N -1 0 349.390 2.589 20 30 EFEDRM Cc1ccccc1OCCCN(C)c1ccc(C(=O)[O-])nc1C#N ZINC001600586914 1095190224 /nfs/dbraw/zinc/19/02/24/1095190224.db2.gz MUMZKWUKVAKHHN-UHFFFAOYSA-N -1 0 325.368 2.865 20 30 EFEDRM Cc1ccn(-c2ccccc2CNc2ccc(C(=O)[O-])nc2C#N)n1 ZINC001600594171 1095195432 /nfs/dbraw/zinc/19/54/32/1095195432.db2.gz YZQRHTSLHITSJN-UHFFFAOYSA-N -1 0 333.351 2.758 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ncccc1OCCCC#N ZINC001600644050 1095231641 /nfs/dbraw/zinc/23/16/41/1095231641.db2.gz UOXPRYKGMWSFED-UHFFFAOYSA-N -1 0 343.339 2.545 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1 ZINC001600651366 1095237585 /nfs/dbraw/zinc/23/75/85/1095237585.db2.gz XVDVGAJFXQUSHV-NEPJUHHUSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1cccc(F)c1C#N ZINC001600655474 1095239747 /nfs/dbraw/zinc/23/97/47/1095239747.db2.gz QDTYGYQEBZGTOJ-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1csc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC001600661701 1095244079 /nfs/dbraw/zinc/24/40/79/1095244079.db2.gz AJGJTWSUSGUYDJ-UHFFFAOYSA-N -1 0 331.309 2.787 20 30 EFEDRM Cc1csc(NC(=O)CS[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001600663732 1095245476 /nfs/dbraw/zinc/24/54/76/1095245476.db2.gz PYPZRYYCALBQCR-ZDUSSCGKSA-N -1 0 347.421 2.821 20 30 EFEDRM Cc1csc(N[C@@H](C)C(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600662805 1095246090 /nfs/dbraw/zinc/24/60/90/1095246090.db2.gz LTWJDEYBLBINEB-JTQLQIEISA-N -1 0 345.380 2.565 20 30 EFEDRM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600677272 1095252010 /nfs/dbraw/zinc/25/20/10/1095252010.db2.gz WZCDZHCOFBDNIP-UHFFFAOYSA-N -1 0 349.390 2.888 20 30 EFEDRM Cc1nc(CC2CC2)oc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600697826 1095268166 /nfs/dbraw/zinc/26/81/66/1095268166.db2.gz CZGWXMWRIFEOTA-INIZCTEOSA-N -1 0 340.335 2.790 20 30 EFEDRM Cc1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C(C)C)n1 ZINC001600734879 1095297689 /nfs/dbraw/zinc/29/76/89/1095297689.db2.gz PVKZJZCVKKNSGI-UHFFFAOYSA-N -1 0 339.351 2.835 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1O[C@H](C)C(=O)[O-] ZINC001600768637 1095320177 /nfs/dbraw/zinc/32/01/77/1095320177.db2.gz MWBYWJFZTZJLHH-ASCRHOAZSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)Cc1cc(C#N)cs1 ZINC001600785035 1095330354 /nfs/dbraw/zinc/33/03/54/1095330354.db2.gz VCINGGVDFGJSMI-UHFFFAOYSA-N -1 0 332.429 2.540 20 30 EFEDRM Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)c1cccc(C(=O)[O-])c1 ZINC001600791627 1095336069 /nfs/dbraw/zinc/33/60/69/1095336069.db2.gz ZKLDLGOFZKXTSB-UHFFFAOYSA-N -1 0 346.346 2.706 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600821978 1095354512 /nfs/dbraw/zinc/35/45/12/1095354512.db2.gz NQIVUZRFXLEJDV-CQSZACIVSA-N -1 0 333.727 2.966 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001600822892 1095357169 /nfs/dbraw/zinc/35/71/69/1095357169.db2.gz UEHLEKIYZZYCHY-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@@H](CC#N)c2ccccc2)cc1C(=O)[O-] ZINC001600839882 1095371222 /nfs/dbraw/zinc/37/12/22/1095371222.db2.gz IKUJQGLDDVSZND-HNNXBMFYSA-N -1 0 326.352 2.942 20 30 EFEDRM Cc1oc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600847335 1095378230 /nfs/dbraw/zinc/37/82/30/1095378230.db2.gz FHSFYTIONRMENO-UHFFFAOYSA-N -1 0 326.352 2.752 20 30 EFEDRM Cc1onc(CC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1C#N ZINC001600863735 1095388451 /nfs/dbraw/zinc/38/84/51/1095388451.db2.gz BJHWPSFZUOVOIB-UHFFFAOYSA-N -1 0 335.319 2.887 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC001600867389 1095390171 /nfs/dbraw/zinc/39/01/71/1095390171.db2.gz BRZOBUJPCYMSFH-UHFFFAOYSA-N -1 0 328.393 2.715 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)C#Cc2ccccc2)nc1C(=O)[O-] ZINC001600876793 1095399614 /nfs/dbraw/zinc/39/96/14/1095399614.db2.gz OAEPVPLKQSMRIC-CQSZACIVSA-N -1 0 340.404 2.865 20 30 EFEDRM Cc1sc(NC(=O)CN(C)[C@H]2CCC[C@@H]2C#N)c(C(=O)[O-])c1C ZINC001600885850 1095407178 /nfs/dbraw/zinc/40/71/78/1095407178.db2.gz QEVKBUBELGODHE-NEPJUHHUSA-N -1 0 335.429 2.626 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001600897700 1095413473 /nfs/dbraw/zinc/41/34/73/1095413473.db2.gz ALUVQEJTCSWFSM-QGZVFWFLSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001600905473 1095418608 /nfs/dbraw/zinc/41/86/08/1095418608.db2.gz MQFOYRYXYUVWDS-CABCVRRESA-N -1 0 337.379 2.635 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc(C#N)o1 ZINC001600910370 1095422779 /nfs/dbraw/zinc/42/27/79/1095422779.db2.gz HANAFSBPLXRXDF-CYBMUJFWSA-N -1 0 327.340 2.555 20 30 EFEDRM Cn1ccc(OCc2ccc(Br)cc2C#N)c1C(=O)[O-] ZINC001600977230 1095453250 /nfs/dbraw/zinc/45/32/50/1095453250.db2.gz GHYYINFIJBVUSQ-UHFFFAOYSA-N -1 0 335.157 2.936 20 30 EFEDRM Cn1nc2c(c1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1)CCCC2 ZINC001601018056 1095468417 /nfs/dbraw/zinc/46/84/17/1095468417.db2.gz WZVCXKQDVFMBFD-ZHACJKMWSA-N -1 0 340.379 2.658 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccccc1Br ZINC001601047728 1095477717 /nfs/dbraw/zinc/47/77/17/1095477717.db2.gz BTKHTVXRIPBGPL-NSHDSACASA-N -1 0 349.140 2.735 20 30 EFEDRM N#C[C@@H](C(=O)c1cccc(OCC(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001601046844 1095478001 /nfs/dbraw/zinc/47/80/01/1095478001.db2.gz DQKOCTGXCRWEGX-ZDUSSCGKSA-N -1 0 342.376 2.974 20 30 EFEDRM N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601047087 1095478078 /nfs/dbraw/zinc/47/80/78/1095478078.db2.gz IIMNKVLDVQGBPE-GUTXKFCHSA-N -1 0 336.347 2.598 20 30 EFEDRM N#C[C@@H](C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC001601047290 1095478371 /nfs/dbraw/zinc/47/83/71/1095478371.db2.gz LZLNTPGIPZAORR-NSHDSACASA-N -1 0 338.348 2.721 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCSc2ccc(F)cc2)CC1 ZINC001601049950 1095479599 /nfs/dbraw/zinc/47/95/99/1095479599.db2.gz ZECYDTDIOKFBJW-UHFFFAOYSA-N -1 0 336.388 2.525 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 ZINC001601048822 1095479608 /nfs/dbraw/zinc/47/96/08/1095479608.db2.gz JWTGAJFICDGBHS-UHFFFAOYSA-N -1 0 344.386 2.854 20 30 EFEDRM N#C[C@@H](COC(=O)Cc1ccccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601049273 1095479715 /nfs/dbraw/zinc/47/97/15/1095479715.db2.gz WHVGULWBOUMGJZ-AWEZNQCLSA-N -1 0 341.338 2.992 20 30 EFEDRM N#C[C@H](COC(=O)Cc1ccccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601049278 1095479820 /nfs/dbraw/zinc/47/98/20/1095479820.db2.gz WHVGULWBOUMGJZ-CQSZACIVSA-N -1 0 341.338 2.992 20 30 EFEDRM N#C[C@H](COC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601048331 1095479934 /nfs/dbraw/zinc/47/99/34/1095479934.db2.gz KQSFORGPGXMADX-BMFZPTHFSA-N -1 0 333.359 2.942 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])on1)c1cccc(Cl)c1Cl ZINC001601048652 1095480020 /nfs/dbraw/zinc/48/00/20/1095480020.db2.gz ODYHETNVARXYCD-SECBINFHSA-N -1 0 340.122 2.674 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC001601049307 1095480082 /nfs/dbraw/zinc/48/00/82/1095480082.db2.gz KUAGXHOTPXJUBR-WBVHZDCISA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@]1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CCCOC1 ZINC001601050791 1095481441 /nfs/dbraw/zinc/48/14/41/1095481441.db2.gz LTSWMGJPTXCXGI-CQSZACIVSA-N -1 0 343.166 2.950 20 30 EFEDRM N#CC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CCSCC1 ZINC001601050728 1095481564 /nfs/dbraw/zinc/48/15/64/1095481564.db2.gz IEQNULNTNGPQPM-UHFFFAOYSA-N -1 0 340.788 2.719 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCC2(C(F)(F)F)CCCC2)CC1 ZINC001601051791 1095481595 /nfs/dbraw/zinc/48/15/95/1095481595.db2.gz UZPDEEAPZDZPFD-UHFFFAOYSA-N -1 0 347.337 2.509 20 30 EFEDRM N#C[C@]1(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CC12CCCC2 ZINC001601050703 1095481606 /nfs/dbraw/zinc/48/16/06/1095481606.db2.gz GTENGCHEHPUQRE-BTDLBPIBSA-N -1 0 345.424 2.745 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC001601051371 1095481796 /nfs/dbraw/zinc/48/17/96/1095481796.db2.gz MROSDHUZZRNFHD-HNNXBMFYSA-N -1 0 341.411 2.506 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cc(Br)ccc2F)CC1 ZINC001601051976 1095481897 /nfs/dbraw/zinc/48/18/97/1095481897.db2.gz IKXDQSMHNWSYHH-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM N#CC1(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CCCCC1 ZINC001601054730 1095483262 /nfs/dbraw/zinc/48/32/62/1095483262.db2.gz MPXVZIKZPMXQMA-NEPJUHHUSA-N -1 0 346.349 2.962 20 30 EFEDRM N#CC1(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)CCOCC1 ZINC001601055273 1095483430 /nfs/dbraw/zinc/48/34/30/1095483430.db2.gz VVGZLEQFVNUKAH-CQSZACIVSA-N -1 0 337.759 2.719 20 30 EFEDRM N#C[C@]1(NC(=O)/C=C/c2cc(C(=O)[O-])co2)CCc2ccccc2C1 ZINC001601056894 1095484635 /nfs/dbraw/zinc/48/46/35/1095484635.db2.gz DKHYTQZVUPOCSA-UEKDZROGSA-N -1 0 336.347 2.558 20 30 EFEDRM N#CC1(CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCCCC1 ZINC001601055863 1095484956 /nfs/dbraw/zinc/48/49/56/1095484956.db2.gz DYFUJJYFONDLLY-RMKNXTFCSA-N -1 0 348.424 2.537 20 30 EFEDRM N#CC1(c2ccc(COC(=O)c3csc(C(=O)[O-])n3)cc2)CC1 ZINC001601058794 1095484990 /nfs/dbraw/zinc/48/49/90/1095484990.db2.gz RXAPDQSWDWAJFN-UHFFFAOYSA-N -1 0 328.349 2.753 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001601057151 1095485023 /nfs/dbraw/zinc/48/50/23/1095485023.db2.gz NQHFZDYVIIZPBM-MRXNPFEDSA-N -1 0 331.372 2.946 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC001601055743 1095485047 /nfs/dbraw/zinc/48/50/47/1095485047.db2.gz ZGJXSXBNFSGKOG-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1CCC(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001601060174 1095485990 /nfs/dbraw/zinc/48/59/90/1095485990.db2.gz YIHJQWWJJAUPGF-UHFFFAOYSA-N -1 0 333.363 2.904 20 30 EFEDRM N#CCC1(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])CC1 ZINC001601061079 1095486085 /nfs/dbraw/zinc/48/60/85/1095486085.db2.gz AQXAIOQHWOTBSX-CQSZACIVSA-N -1 0 349.228 2.954 20 30 EFEDRM N#CC1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001601060610 1095486114 /nfs/dbraw/zinc/48/61/14/1095486114.db2.gz FGRJGBDNBKGAJZ-UHFFFAOYSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCC1(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001601061875 1095486144 /nfs/dbraw/zinc/48/61/44/1095486144.db2.gz IJMIGRDRLWSPQV-HNNXBMFYSA-N -1 0 341.411 2.798 20 30 EFEDRM N#CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001601060208 1095486480 /nfs/dbraw/zinc/48/64/80/1095486480.db2.gz ADDMVFXCMWVNOR-DLBZAZTESA-N -1 0 337.379 2.801 20 30 EFEDRM N#CC[C@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601062409 1095486509 /nfs/dbraw/zinc/48/65/09/1095486509.db2.gz PZDHGURWUPITDT-CYBMUJFWSA-N -1 0 341.319 2.791 20 30 EFEDRM N#CCCCn1cc(C(=O)N(CC(=O)[O-])C2CC2)c2ccccc21 ZINC001601066552 1095488166 /nfs/dbraw/zinc/48/81/66/1095488166.db2.gz GVHITFDLSXPTFY-UHFFFAOYSA-N -1 0 325.368 2.634 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c1 ZINC001601065373 1095488304 /nfs/dbraw/zinc/48/83/04/1095488304.db2.gz IRPDYONFCVKNFH-GOEBONIOSA-N -1 0 346.383 2.720 20 30 EFEDRM N#CCC[C@@H](C#N)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001601064425 1095488452 /nfs/dbraw/zinc/48/84/52/1095488452.db2.gz XAKPXSCZORHDTQ-ZDUSSCGKSA-N -1 0 332.429 2.539 20 30 EFEDRM N#CCCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001601064882 1095488474 /nfs/dbraw/zinc/48/84/74/1095488474.db2.gz NHJBTXWMIUUFIV-UHFFFAOYSA-N -1 0 327.340 2.721 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001601065352 1095488516 /nfs/dbraw/zinc/48/85/16/1095488516.db2.gz IMMRBUDSUCHIKF-JOCQHMNTSA-N -1 0 331.372 2.594 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cc(Cl)ccc1Br ZINC001601071914 1095489968 /nfs/dbraw/zinc/48/99/68/1095489968.db2.gz AFXZGBCYEGVWCX-UHFFFAOYSA-N -1 0 331.597 2.903 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1c(-c2ccccc2)nc2ccccn21 ZINC001601071997 1095490079 /nfs/dbraw/zinc/49/00/79/1095490079.db2.gz BXBLQZJWKUTOFL-UHFFFAOYSA-N -1 0 334.379 2.802 20 30 EFEDRM N#CCN(CCCc1ccccc1Br)CCC(=O)[O-] ZINC001601073197 1095491180 /nfs/dbraw/zinc/49/11/80/1095491180.db2.gz HHOJDIJBTPEFJN-UHFFFAOYSA-N -1 0 325.206 2.682 20 30 EFEDRM N#CCOc1cccc(CC(=O)OC[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601076143 1095491741 /nfs/dbraw/zinc/49/17/41/1095491741.db2.gz VXUGMLYBIBLSTQ-GDBMZVCRSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCOc1cccc(OC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001601075702 1095491841 /nfs/dbraw/zinc/49/18/41/1095491841.db2.gz NOVGFIRBQMPNNV-VQIMIIECSA-N -1 0 337.331 2.753 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001601073811 1095491899 /nfs/dbraw/zinc/49/18/99/1095491899.db2.gz OKMJEVMQHZHOQI-UHFFFAOYSA-N -1 0 342.326 2.998 20 30 EFEDRM N#CCOc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001601074193 1095491932 /nfs/dbraw/zinc/49/19/32/1095491932.db2.gz LSTBGIYMNBLGIM-UHFFFAOYSA-N -1 0 349.346 2.881 20 30 EFEDRM N#CCc1ccnc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001601078068 1095492635 /nfs/dbraw/zinc/49/26/35/1095492635.db2.gz GTWBROLFNMSWKD-UHFFFAOYSA-N -1 0 330.388 2.694 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601077743 1095492716 /nfs/dbraw/zinc/49/27/16/1095492716.db2.gz BHVDJUVGNPAXMB-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM N#CCc1cccc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001601077541 1095492957 /nfs/dbraw/zinc/49/29/57/1095492957.db2.gz FIDUXDBPISACHH-UHFFFAOYSA-N -1 0 344.758 2.821 20 30 EFEDRM N#CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601076994 1095493352 /nfs/dbraw/zinc/49/33/52/1095493352.db2.gz GSEWVPRHQUZGHR-MRXNPFEDSA-N -1 0 341.342 2.882 20 30 EFEDRM N#CCc1ccc(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001601076681 1095493362 /nfs/dbraw/zinc/49/33/62/1095493362.db2.gz OSICGAFQGPYLQV-YLJYHZDGSA-N -1 0 334.375 2.627 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001601076248 1095493375 /nfs/dbraw/zinc/49/33/75/1095493375.db2.gz YKRIYRRVFCQHEL-UHFFFAOYSA-N -1 0 336.347 2.880 20 30 EFEDRM N#CCOc1cccc(CC(=O)OC[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001601076151 1095493481 /nfs/dbraw/zinc/49/34/81/1095493481.db2.gz VXUGMLYBIBLSTQ-ZBFHGGJFSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001601078460 1095494602 /nfs/dbraw/zinc/49/46/02/1095494602.db2.gz YBCLKHYSKVQPJH-UHFFFAOYSA-N -1 0 344.392 2.571 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc2ccccc21 ZINC001601079421 1095494685 /nfs/dbraw/zinc/49/46/85/1095494685.db2.gz XGNDKWPBHSSHDZ-HNNXBMFYSA-N -1 0 339.376 2.782 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001601078611 1095494858 /nfs/dbraw/zinc/49/48/58/1095494858.db2.gz RSYOPASJLKAWLU-AWEZNQCLSA-N -1 0 342.330 2.624 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001601080004 1095494915 /nfs/dbraw/zinc/49/49/15/1095494915.db2.gz XZUMOPIMXUEYCV-GXTWGEPZSA-N -1 0 342.399 2.799 20 30 EFEDRM N#CCc1ccnc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC001601079312 1095495007 /nfs/dbraw/zinc/49/50/07/1095495007.db2.gz UYKPQDILUXXWIE-UHFFFAOYSA-N -1 0 334.335 2.508 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc2ccccc21 ZINC001601079304 1095495107 /nfs/dbraw/zinc/49/51/07/1095495107.db2.gz UURCVEYQXAEUJG-HNNXBMFYSA-N -1 0 348.362 2.506 20 30 EFEDRM N#Cc1c(CN2CC(O)(c3ccc(Cl)cc3)C2)cccc1C(=O)[O-] ZINC001601081620 1095496200 /nfs/dbraw/zinc/49/62/00/1095496200.db2.gz NVNAHVYLTPPDFF-UHFFFAOYSA-N -1 0 342.782 2.613 20 30 EFEDRM N#Cc1c(COC(=O)c2csc(NC3CC3)n2)cccc1C(=O)[O-] ZINC001601081164 1095496617 /nfs/dbraw/zinc/49/66/17/1095496617.db2.gz ZVXZWXVVHCNWJG-UHFFFAOYSA-N -1 0 343.364 2.644 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC001601082497 1095496780 /nfs/dbraw/zinc/49/67/80/1095496780.db2.gz ATNVBWIQRUMTJP-HNNXBMFYSA-N -1 0 340.310 2.789 20 30 EFEDRM N#Cc1c(COC(=O)C2(Oc3ccccc3)CC2)cccc1C(=O)[O-] ZINC001601083928 1095497656 /nfs/dbraw/zinc/49/76/56/1095497656.db2.gz YHNAAIOQYUBEPP-UHFFFAOYSA-N -1 0 337.331 2.911 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)ccc12 ZINC001601084850 1095497667 /nfs/dbraw/zinc/49/76/67/1095497667.db2.gz GMVGJTCQSSEPJR-HNNXBMFYSA-N -1 0 325.368 2.803 20 30 EFEDRM N#Cc1c(COC(=O)Cc2csc(C3CC3)n2)cccc1C(=O)[O-] ZINC001601083434 1095497688 /nfs/dbraw/zinc/49/76/88/1095497688.db2.gz FPNKONYMHUCWNQ-UHFFFAOYSA-N -1 0 342.376 2.876 20 30 EFEDRM N#Cc1c(N)c([N+](=O)[O-])ccc1NCCCCC1(C(=O)[O-])CCC1 ZINC001601084583 1095497763 /nfs/dbraw/zinc/49/77/63/1095497763.db2.gz XWHVYAAJKOHKJX-UHFFFAOYSA-N -1 0 332.360 2.886 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC001601083758 1095497964 /nfs/dbraw/zinc/49/79/64/1095497964.db2.gz QRBIPUWZYNPXLQ-OAHLLOKOSA-N -1 0 337.331 2.866 20 30 EFEDRM N#Cc1c(COC(=O)C[C@@H]2OCc3ccccc32)cccc1C(=O)[O-] ZINC001601083561 1095498093 /nfs/dbraw/zinc/49/80/93/1095498093.db2.gz JMOWRTKGRHZXKV-KRWDZBQOSA-N -1 0 337.331 2.961 20 30 EFEDRM N#Cc1c(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cn2ccccc12 ZINC001601083831 1095498180 /nfs/dbraw/zinc/49/81/80/1095498180.db2.gz UIXNCOOXWULBLY-UHFFFAOYSA-N -1 0 338.363 2.889 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cs1 ZINC001601086271 1095499293 /nfs/dbraw/zinc/49/92/93/1095499293.db2.gz GZJZYXGFDMMCPI-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601086866 1095499362 /nfs/dbraw/zinc/49/93/62/1095499362.db2.gz MLUCHRUFANBZCF-CHWSQXEVSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1cc(Cl)nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001601088375 1095500716 /nfs/dbraw/zinc/50/07/16/1095500716.db2.gz SPJWATMGOPQMNI-UONOGXRCSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCSc2ccc(Cl)cc2)c1=O ZINC001601087663 1095500814 /nfs/dbraw/zinc/50/08/14/1095500814.db2.gz OAQMSGIJTQGIHS-UHFFFAOYSA-N -1 0 334.784 2.864 20 30 EFEDRM N#Cc1cc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1F ZINC001601087294 1095500966 /nfs/dbraw/zinc/50/09/66/1095500966.db2.gz AJMCMWBCUHOSGA-INIZCTEOSA-N -1 0 330.290 2.689 20 30 EFEDRM N#Cc1cc(Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])nc(C2CC2)n1 ZINC001601089367 1095501024 /nfs/dbraw/zinc/50/10/24/1095501024.db2.gz OVJWIIJNIOFFKJ-UHFFFAOYSA-N -1 0 326.268 2.624 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2cc(Cl)sc2Cl)c1=O ZINC001601087830 1095501180 /nfs/dbraw/zinc/50/11/80/1095501180.db2.gz OSXGYEOIDRVQGS-UHFFFAOYSA-N -1 0 329.164 2.835 20 30 EFEDRM N#Cc1cc(O)cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001601088821 1095501211 /nfs/dbraw/zinc/50/12/11/1095501211.db2.gz GIFLCNMYCDMVNT-IRXDYDNUSA-N -1 0 336.347 2.694 20 30 EFEDRM N#Cc1cc(C(=O)OCCOc2cccc(C(=O)[O-])c2)ccc1F ZINC001601087819 1095501234 /nfs/dbraw/zinc/50/12/34/1095501234.db2.gz OMQONEBAORQPOL-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2ccccc2Oc2cccnc2)c1=O ZINC001601087944 1095501376 /nfs/dbraw/zinc/50/13/76/1095501376.db2.gz SMPRTGOPTVBMFB-UHFFFAOYSA-N -1 0 347.330 2.654 20 30 EFEDRM N#Cc1ccc(-c2ccn(CN(CC(=O)[O-])Cc3ccccc3)n2)cc1 ZINC001601091628 1095502224 /nfs/dbraw/zinc/50/22/24/1095502224.db2.gz VLAFJKKNFGRRLK-UHFFFAOYSA-N -1 0 346.390 2.966 20 30 EFEDRM N#Cc1cc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc(C2CC2)n1 ZINC001601089598 1095502248 /nfs/dbraw/zinc/50/22/48/1095502248.db2.gz SMHKNEOBQSHAPT-UHFFFAOYSA-N -1 0 326.268 2.624 20 30 EFEDRM N#Cc1cc(NC(=O)CCc2ocnc2C(=O)[O-])ccc1C1CC1 ZINC001601090035 1095502375 /nfs/dbraw/zinc/50/23/75/1095502375.db2.gz FYTNAPCNNPVLHZ-UHFFFAOYSA-N -1 0 325.324 2.693 20 30 EFEDRM N#Cc1cc(NC(=O)CCCn2ccc(C(=O)[O-])n2)ccc1C1CC1 ZINC001601090351 1095502405 /nfs/dbraw/zinc/50/24/05/1095502405.db2.gz WCERPMOQAPAAGR-UHFFFAOYSA-N -1 0 338.367 2.749 20 30 EFEDRM N#Cc1ccc(Br)nc1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601091796 1095502578 /nfs/dbraw/zinc/50/25/78/1095502578.db2.gz ACSRZKNNDVWJCY-YGRLFVJLSA-N -1 0 336.189 2.549 20 30 EFEDRM N#Cc1cc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(F)cc1F ZINC001601090821 1095502791 /nfs/dbraw/zinc/50/27/91/1095502791.db2.gz WEGOCNFGSWPPIW-SNVBAGLBSA-N -1 0 337.326 2.945 20 30 EFEDRM N#Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC001601090176 1095502849 /nfs/dbraw/zinc/50/28/49/1095502849.db2.gz NBGJZIGAYMXRFM-RQJHMYQMSA-N -1 0 349.290 2.617 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CC2)c1 ZINC001601089596 1095502860 /nfs/dbraw/zinc/50/28/60/1095502860.db2.gz NFUUGJDQRRJRLS-ZDUSSCGKSA-N -1 0 344.386 2.832 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)Cc1ccc(C(=O)[O-])cc1)CCCC2 ZINC001601091703 1095502884 /nfs/dbraw/zinc/50/28/84/1095502884.db2.gz ZUPGLJKYIBERDR-UHFFFAOYSA-N -1 0 335.363 2.711 20 30 EFEDRM N#Cc1cc(NC[C@@H](C(=O)[O-])c2ccccc2)ncc1Br ZINC001601090764 1095503116 /nfs/dbraw/zinc/50/31/16/1095503116.db2.gz SEXKAVLTPGPIIB-GFCCVEGCSA-N -1 0 346.184 2.996 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC001601093383 1095503710 /nfs/dbraw/zinc/50/37/10/1095503710.db2.gz MPQOCQXHBBUTSF-AWEZNQCLSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC001601093758 1095503853 /nfs/dbraw/zinc/50/38/53/1095503853.db2.gz FSNUEBALHANXST-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)nc1Cl ZINC001601093024 1095503964 /nfs/dbraw/zinc/50/39/64/1095503964.db2.gz FYMJDVRANWGKJS-UHFFFAOYSA-N -1 0 333.706 2.625 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)s1 ZINC001601093962 1095504053 /nfs/dbraw/zinc/50/40/53/1095504053.db2.gz DEOASEMLBWCNDB-SSDOTTSWSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1ccc(Br)c(OCc2cncc(C(=O)[O-])c2)c1 ZINC001601092763 1095504319 /nfs/dbraw/zinc/50/43/19/1095504319.db2.gz LKSMCYSZHOWYQB-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)[nH]1 ZINC001601094185 1095504370 /nfs/dbraw/zinc/50/43/70/1095504370.db2.gz HVQKQFROSMPJTM-GFCCVEGCSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(F)c1 ZINC001601092934 1095504521 /nfs/dbraw/zinc/50/45/21/1095504521.db2.gz UICQSSJAIKUUHD-DVOMOZLQSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC001601093620 1095504733 /nfs/dbraw/zinc/50/47/33/1095504733.db2.gz CIMXUGSDNYEPON-OAHLLOKOSA-N -1 0 340.354 2.903 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC001601094285 1095505461 /nfs/dbraw/zinc/50/54/61/1095505461.db2.gz QNWIWHJJXRPWEF-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)cn1 ZINC001601094807 1095506291 /nfs/dbraw/zinc/50/62/91/1095506291.db2.gz XLISDXJBQSCMLI-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C[C@@H]2CCC3(CCC3)O2)C(=O)[O-])cc1 ZINC001601095795 1095507209 /nfs/dbraw/zinc/50/72/09/1095507209.db2.gz CGQFWPWGHNUCLO-GOEBONIOSA-N -1 0 329.352 2.719 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601096149 1095507888 /nfs/dbraw/zinc/50/78/88/1095507888.db2.gz PAYRSZVWOBJRSP-LSDHHAIUSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C2C[C@H]3CC[C@@H](C2)S3)C(=O)[O-])cc1 ZINC001601095891 1095508074 /nfs/dbraw/zinc/50/80/74/1095508074.db2.gz GUQUCBLJPCBSOV-DKUMPPAJSA-N -1 0 331.393 2.901 20 30 EFEDRM N#Cc1ccc([C@H](N[C@@H]2c3ccccc3OC[C@@H]2F)C(=O)[O-])cc1 ZINC001601096434 1095508831 /nfs/dbraw/zinc/50/88/31/1095508831.db2.gz DODKGYBHBBYPGN-BHYGNILZSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1 ZINC001601097777 1095509496 /nfs/dbraw/zinc/50/94/96/1095509496.db2.gz NMJRJYJQDUFKRX-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC001601098909 1095509604 /nfs/dbraw/zinc/50/96/04/1095509604.db2.gz ANEWGONZIAEVEY-GOSISDBHSA-N -1 0 334.375 2.529 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3cc(C(=O)[O-])ccc3F)CCO2)cc1 ZINC001601097846 1095509642 /nfs/dbraw/zinc/50/96/42/1095509642.db2.gz FZFSSOKIJYHSFZ-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1ccc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC001601097658 1095509735 /nfs/dbraw/zinc/50/97/35/1095509735.db2.gz BWLHIWVJLDIPPR-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc([C@H]2CN([C@@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC001601098597 1095509829 /nfs/dbraw/zinc/50/98/29/1095509829.db2.gz RMWQYJZDSHBZSU-HZPDHXFCSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)cc1 ZINC001601098415 1095510027 /nfs/dbraw/zinc/51/00/27/1095510027.db2.gz WIWZPXIXJXKDCN-WKILWMFISA-N -1 0 326.396 2.940 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC001601098181 1095510137 /nfs/dbraw/zinc/51/01/37/1095510137.db2.gz UMZDPIAYGVTENT-UHFFFAOYSA-N -1 0 349.390 2.600 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)ccc2N)C(=O)[O-])cc1 ZINC001601098736 1095510207 /nfs/dbraw/zinc/51/02/07/1095510207.db2.gz AYDDNERFBDPOLR-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001601099226 1095511333 /nfs/dbraw/zinc/51/13/33/1095511333.db2.gz INAVSLGAKGAGBO-KRWDZBQOSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)s1 ZINC001601100509 1095511626 /nfs/dbraw/zinc/51/16/26/1095511626.db2.gz OEXKFXNEIIRVGN-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM N#Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001601099425 1095511655 /nfs/dbraw/zinc/51/16/55/1095511655.db2.gz NHYZOVLZMLXVCI-UHFFFAOYSA-N -1 0 349.390 2.778 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001601100313 1095511666 /nfs/dbraw/zinc/51/16/66/1095511666.db2.gz XYNDQONBEHZXIL-GFCCVEGCSA-N -1 0 325.349 2.639 20 30 EFEDRM N#Cc1ccc([C@H](Sc2ncc3c(n2)CCCC3=O)C(=O)[O-])cc1 ZINC001601099451 1095511817 /nfs/dbraw/zinc/51/18/17/1095511817.db2.gz PPPOVIXYWVGAHO-HNNXBMFYSA-N -1 0 339.376 2.785 20 30 EFEDRM N#Cc1ccc(CC(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601099210 1095511967 /nfs/dbraw/zinc/51/19/67/1095511967.db2.gz HWKDJSAQVLRTPT-MRXNPFEDSA-N -1 0 343.766 2.993 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2n[nH]c(-c3ccccn3)n2)C(=O)[O-])cc1 ZINC001601099296 1095512008 /nfs/dbraw/zinc/51/20/08/1095512008.db2.gz LPAUSGFOYDPYHP-CYBMUJFWSA-N -1 0 337.364 2.656 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-n3ccnc3)cc2)C(=O)[O-])cc1 ZINC001601099341 1095512092 /nfs/dbraw/zinc/51/20/92/1095512092.db2.gz NLBGUDXUWOOYPP-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nncn2CC(F)(F)F)C(=O)[O-])cc1 ZINC001601099804 1095512278 /nfs/dbraw/zinc/51/22/78/1095512278.db2.gz VNUBPNJOVJJTQO-JTQLQIEISA-N -1 0 342.302 2.630 20 30 EFEDRM N#Cc1ccc(CN2CCN([C@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC001601100966 1095513508 /nfs/dbraw/zinc/51/35/08/1095513508.db2.gz SPBDQIPESLHVBX-KRWDZBQOSA-N -1 0 341.436 2.563 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001601103111 1095513531 /nfs/dbraw/zinc/51/35/31/1095513531.db2.gz DCGNXPOSUOCFMK-GJZGRUSLSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cccc(C(=O)[O-])n2)c(OC(F)F)c1 ZINC001601102374 1095513563 /nfs/dbraw/zinc/51/35/63/1095513563.db2.gz PAZXYMCPZLRPKO-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(CNc2ccc(C(=O)NCCC(=O)[O-])cc2)c(F)c1 ZINC001601102244 1095513572 /nfs/dbraw/zinc/51/35/72/1095513572.db2.gz HWXNLGIJCBJYID-UHFFFAOYSA-N -1 0 341.342 2.514 20 30 EFEDRM N#Cc1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)c(Br)c1 ZINC001601102854 1095513644 /nfs/dbraw/zinc/51/36/44/1095513644.db2.gz ZDSCCHIGCRHEMF-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001601103309 1095513784 /nfs/dbraw/zinc/51/37/84/1095513784.db2.gz LVIGAZVAPGCYHP-HNNXBMFYSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Br ZINC001601106469 1095514504 /nfs/dbraw/zinc/51/45/04/1095514504.db2.gz VRGURHAAIHJBMC-QWHCGFSZSA-N -1 0 335.201 2.868 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601106577 1095514841 /nfs/dbraw/zinc/51/48/41/1095514841.db2.gz VRJJXUMLPVDHOD-ZDUSSCGKSA-N -1 0 345.252 2.568 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601105540 1095515155 /nfs/dbraw/zinc/51/51/55/1095515155.db2.gz AEJRORZWQAEFNA-CQSZACIVSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001601105761 1095515246 /nfs/dbraw/zinc/51/52/46/1095515246.db2.gz HOWRLYBXQFJNKP-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001601104232 1095515287 /nfs/dbraw/zinc/51/52/87/1095515287.db2.gz ZOJLKEWJMMJTRJ-DGCLKSJQSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(N(C2CCC2)S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001601105841 1095515305 /nfs/dbraw/zinc/51/53/05/1095515305.db2.gz JEJVRRRFXBHVER-UHFFFAOYSA-N -1 0 346.364 2.597 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001601104230 1095515395 /nfs/dbraw/zinc/51/53/95/1095515395.db2.gz ZOJLKEWJMMJTRJ-AAEUAGOBSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC001601103459 1095515421 /nfs/dbraw/zinc/51/54/21/1095515421.db2.gz PTARFLLQUGXVHY-UHFFFAOYSA-N -1 0 335.772 2.938 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601107214 1095516247 /nfs/dbraw/zinc/51/62/47/1095516247.db2.gz HBIGNAPUGFPKRI-FTUHBYGFSA-N -1 0 333.775 2.832 20 30 EFEDRM N#Cc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001601107111 1095516562 /nfs/dbraw/zinc/51/65/62/1095516562.db2.gz BWQUDJUIAMNPHI-CQSZACIVSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001601107237 1095516800 /nfs/dbraw/zinc/51/68/00/1095516800.db2.gz VHBIVQZDCWLJJB-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001601108634 1095517003 /nfs/dbraw/zinc/51/70/03/1095517003.db2.gz NIIOOBJZAYIHDZ-NXEZZACHSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601108304 1095517077 /nfs/dbraw/zinc/51/70/77/1095517077.db2.gz LPWMPAZXOJKOFA-UONOGXRCSA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1ccc(OC2CN(Cc3[nH]cc(C(=O)[O-])c3C3CC3)C2)cc1 ZINC001601109719 1095517852 /nfs/dbraw/zinc/51/78/52/1095517852.db2.gz YNUMGLLLWIBNJO-UHFFFAOYSA-N -1 0 337.379 2.725 20 30 EFEDRM N#Cc1ccc(OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001601110477 1095517888 /nfs/dbraw/zinc/51/78/88/1095517888.db2.gz ZQRSFWVWTFXUIU-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001601113246 1095518113 /nfs/dbraw/zinc/51/81/13/1095518113.db2.gz PPCLSRAIDUOJMH-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM N#Cc1ccc(OCCCn2nc(C(=O)[O-])c3c2CCCC3)cc1 ZINC001601109824 1095518381 /nfs/dbraw/zinc/51/83/81/1095518381.db2.gz NRFMENBXHIRVJN-UHFFFAOYSA-N -1 0 325.368 2.801 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)OCC3(C(=O)[O-])CC3)cc2)nc1 ZINC001601110871 1095518527 /nfs/dbraw/zinc/51/85/27/1095518527.db2.gz JTXIQWPBKDJRIK-UHFFFAOYSA-N -1 0 338.319 2.767 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NCC2CCC3(CC3)CC2)c(C(=O)[O-])c1 ZINC001601111404 1095518776 /nfs/dbraw/zinc/51/87/76/1095518776.db2.gz AZWVMEFRDDVRCD-UHFFFAOYSA-N -1 0 348.424 2.505 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001601114378 1095519441 /nfs/dbraw/zinc/51/94/41/1095519441.db2.gz CEVLTDMVVQFTNU-KRWDZBQOSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001601113921 1095519484 /nfs/dbraw/zinc/51/94/84/1095519484.db2.gz ZUSVOVGPFZZFAM-RDTXWAMCSA-N -1 0 344.436 2.754 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001601114764 1095519596 /nfs/dbraw/zinc/51/95/96/1095519596.db2.gz GWZJJAPOAIGGTO-ISTRZQFTSA-N -1 0 341.411 2.878 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NCc2cccc(OCC(=O)[O-])c2)c1 ZINC001601113676 1095519789 /nfs/dbraw/zinc/51/97/89/1095519789.db2.gz AFAONSWGSIFECR-UHFFFAOYSA-N -1 0 327.296 2.542 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001601114674 1095519955 /nfs/dbraw/zinc/51/99/55/1095519955.db2.gz WEFSZVZYQLYYLB-GOSISDBHSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001601114641 1095520009 /nfs/dbraw/zinc/52/00/09/1095520009.db2.gz DXEHWJRTJLKINR-PUJMQQBBSA-N -1 0 341.411 2.878 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc3ccc(=O)[nH]c32)C(=O)[O-])c1 ZINC001601117081 1095521241 /nfs/dbraw/zinc/52/12/41/1095521241.db2.gz BZCFJYSMVUJHSQ-QGZVFWFLSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3ccc(=O)[nH]c32)C(=O)[O-])c1 ZINC001601117080 1095521277 /nfs/dbraw/zinc/52/12/77/1095521277.db2.gz BZCFJYSMVUJHSQ-KRWDZBQOSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1cccc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC001601116883 1095522179 /nfs/dbraw/zinc/52/21/79/1095522179.db2.gz SDFMKLIPVJXBOR-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC001601117298 1095522189 /nfs/dbraw/zinc/52/21/89/1095522189.db2.gz JDCGKCAFGXSJFY-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001601117891 1095522203 /nfs/dbraw/zinc/52/22/03/1095522203.db2.gz PKSRCAVDPCBHMS-HNNXBMFYSA-N -1 0 330.727 2.518 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ncc(C(=O)[O-])s3)on2)c1 ZINC001601116487 1095522281 /nfs/dbraw/zinc/52/22/81/1095522281.db2.gz VASAHLYQRXAGSZ-UHFFFAOYSA-N -1 0 340.320 2.620 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)OCc3cccc(C(=O)[O-])n3)on2)c1 ZINC001601116422 1095522455 /nfs/dbraw/zinc/52/24/55/1095522455.db2.gz UDQVNCCWIIUKSR-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccccc3c(=O)o2)C(=O)[O-])c1 ZINC001601117942 1095523222 /nfs/dbraw/zinc/52/32/22/1095523222.db2.gz QMAKABWFPGYETJ-INIZCTEOSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc3c2CC(=O)CC3)C(=O)[O-])c1 ZINC001601118724 1095523929 /nfs/dbraw/zinc/52/39/29/1095523929.db2.gz ZJPDRVBYOFKCIK-GOSISDBHSA-N -1 0 349.342 2.599 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)COc2cc(F)cc(F)c2)C(=O)[O-])c1 ZINC001601118278 1095523993 /nfs/dbraw/zinc/52/39/93/1095523993.db2.gz UYAFKEKNSVEXIL-INIZCTEOSA-N -1 0 347.273 2.584 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NCCc3ccccc3C(=O)[O-])CC2)c1 ZINC001601119957 1095524722 /nfs/dbraw/zinc/52/47/22/1095524722.db2.gz CAOYAYLTOFUOHT-UHFFFAOYSA-N -1 0 334.375 2.647 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCCCCCCC(=O)[O-])CC2)c1 ZINC001601120250 1095525174 /nfs/dbraw/zinc/52/51/74/1095525174.db2.gz OHULCLUWUVQGEG-UHFFFAOYSA-N -1 0 329.400 2.882 20 30 EFEDRM N#Cc1cccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC001601120813 1095525288 /nfs/dbraw/zinc/52/52/88/1095525288.db2.gz NJROMOUAORRHLQ-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)CC2)c1 ZINC001601120501 1095526014 /nfs/dbraw/zinc/52/60/14/1095526014.db2.gz XDEJWRPUTBHGCM-UHFFFAOYSA-N -1 0 346.386 2.873 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3CCc4cccc(C(=O)[O-])c4C3)CC2)c1 ZINC001601120256 1095526023 /nfs/dbraw/zinc/52/60/23/1095526023.db2.gz ONCCVFKHFIDHOD-UHFFFAOYSA-N -1 0 346.386 2.873 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001601123825 1095526563 /nfs/dbraw/zinc/52/65/63/1095526563.db2.gz UPIOTXIWQHONOE-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)C3(C(=O)[O-])CC3)cc2)c1 ZINC001601123011 1095526998 /nfs/dbraw/zinc/52/69/98/1095526998.db2.gz LJJJXPSTPYHJPN-UHFFFAOYSA-N -1 0 336.347 2.941 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001601121294 1095527482 /nfs/dbraw/zinc/52/74/82/1095527482.db2.gz GXLDQCMPYQSMTK-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001601121410 1095527607 /nfs/dbraw/zinc/52/76/07/1095527607.db2.gz KRLOMEAJUFMVCN-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1cccc(OCCN2CCOc3c(cccc3C(=O)[O-])C2)c1 ZINC001601123407 1095527790 /nfs/dbraw/zinc/52/77/90/1095527790.db2.gz AFGMRBKUUMPFEL-UHFFFAOYSA-N -1 0 338.363 2.530 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001601124678 1095528432 /nfs/dbraw/zinc/52/84/32/1095528432.db2.gz QZOYOXPLRIWMCH-RCCFBDPRSA-N -1 0 334.375 2.646 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001601124688 1095528790 /nfs/dbraw/zinc/52/87/90/1095528790.db2.gz RJRUBOWHORLXTH-QWHCGFSZSA-N -1 0 340.301 2.527 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N[C@H](CC(=O)[O-])Cc3ccccc3)c21 ZINC001601124170 1095529406 /nfs/dbraw/zinc/52/94/06/1095529406.db2.gz FVEUDRNIKUEHJF-HNNXBMFYSA-N -1 0 347.374 2.855 20 30 EFEDRM N#Cc1ccccc1NC(=S)NCCc1ccc(C(=O)[O-])cc1 ZINC001601125778 1095530278 /nfs/dbraw/zinc/53/02/78/1095530278.db2.gz PABIXTWYGLKGGX-UHFFFAOYSA-N -1 0 325.393 2.786 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1ccc(C(=O)[O-])o1 ZINC001601125635 1095530770 /nfs/dbraw/zinc/53/07/70/1095530770.db2.gz RFIRBWAUKYKYOX-UHFFFAOYSA-N -1 0 330.365 2.513 20 30 EFEDRM N#Cc1ccccc1N(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CCC1 ZINC001601125596 1095530804 /nfs/dbraw/zinc/53/08/04/1095530804.db2.gz OGWCKIQNJCXCFY-DOTOQJQBSA-N -1 0 342.395 2.856 20 30 EFEDRM N#Cc1ccccc1OCc1ccc(C(=O)OC2(C(=O)[O-])CC2)o1 ZINC001601126743 1095530966 /nfs/dbraw/zinc/53/09/66/1095530966.db2.gz MSEHWVGKUZUIJX-UHFFFAOYSA-N -1 0 327.292 2.504 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001601126589 1095531002 /nfs/dbraw/zinc/53/10/02/1095531002.db2.gz HDVAIFHSAOFMEW-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001601125791 1095531463 /nfs/dbraw/zinc/53/14/63/1095531463.db2.gz JWOFXQMJDRTWIL-HSBSLETESA-N -1 0 326.377 2.965 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001601130407 1095532576 /nfs/dbraw/zinc/53/25/76/1095532576.db2.gz OLSAKRYIIFJZNG-UHFFFAOYSA-N -1 0 343.770 2.699 20 30 EFEDRM N#Cc1cnc(N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c2sccc21 ZINC001601129979 1095532711 /nfs/dbraw/zinc/53/27/11/1095532711.db2.gz CMTBCXGKCWLACM-FBWYHRDQSA-N -1 0 343.408 2.992 20 30 EFEDRM N#Cc1cnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(F)c1 ZINC001601130172 1095532894 /nfs/dbraw/zinc/53/28/94/1095532894.db2.gz KYVNWWDQCHYLHK-UHFFFAOYSA-N -1 0 332.360 2.631 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1NC[C@H](CC1CC1)C(=O)[O-] ZINC001601130696 1095533027 /nfs/dbraw/zinc/53/30/27/1095533027.db2.gz LESWMUHECDDAFI-JTQLQIEISA-N -1 0 331.322 2.719 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(Cl)c1 ZINC001601129003 1095533133 /nfs/dbraw/zinc/53/31/33/1095533133.db2.gz HOKKCPXCRDVERJ-UHFFFAOYSA-N -1 0 333.706 2.625 20 30 EFEDRM N#Cc1csc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001601130547 1095533310 /nfs/dbraw/zinc/53/33/10/1095533310.db2.gz HYQXGXYXPSPMJB-UHFFFAOYSA-N -1 0 336.319 2.625 20 30 EFEDRM N#Cc1cncc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])n1 ZINC001601131007 1095533422 /nfs/dbraw/zinc/53/34/22/1095533422.db2.gz QQKLLXHZHKPINP-OAHLLOKOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC001601133164 1095534337 /nfs/dbraw/zinc/53/43/37/1095534337.db2.gz KYPLADPGJREMMB-UHFFFAOYSA-N -1 0 342.786 2.631 20 30 EFEDRM N#Cc1cnccc1S[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001601131964 1095534380 /nfs/dbraw/zinc/53/43/80/1095534380.db2.gz ZIVFNKTUGPTMAA-GFCCVEGCSA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001601132903 1095534538 /nfs/dbraw/zinc/53/45/38/1095534538.db2.gz HEFSJKUELAWKTQ-MRXNPFEDSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1cnccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001601131882 1095534846 /nfs/dbraw/zinc/53/48/46/1095534846.db2.gz VQEQHCRUKDXGIO-CQSZACIVSA-N -1 0 346.184 2.631 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H](OC1CCCC1)C(F)(F)F ZINC001601133185 1095534933 /nfs/dbraw/zinc/53/49/33/1095534933.db2.gz MXTAZRSIKILIOX-ZDUSSCGKSA-N -1 0 343.305 2.953 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1NC[C@H](CC(=O)[O-])C1CC1 ZINC001601131231 1095535130 /nfs/dbraw/zinc/53/51/30/1095535130.db2.gz UZSXXCUVZPRTCL-JTQLQIEISA-N -1 0 331.322 2.719 20 30 EFEDRM N#Cc1cnnc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001601131357 1095535155 /nfs/dbraw/zinc/53/51/55/1095535155.db2.gz XMKYSXADYXFFHZ-KRWDZBQOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC001601134821 1095535764 /nfs/dbraw/zinc/53/57/64/1095535764.db2.gz PAPNIMUXMKBVRQ-CQSZACIVSA-N -1 0 339.351 2.953 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001601135126 1095536076 /nfs/dbraw/zinc/53/60/76/1095536076.db2.gz XMPSEXUECOAELA-CYBMUJFWSA-N -1 0 325.324 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001601135127 1095536487 /nfs/dbraw/zinc/53/64/87/1095536487.db2.gz XMPSEXUECOAELA-ZDUSSCGKSA-N -1 0 325.324 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001601134940 1095536816 /nfs/dbraw/zinc/53/68/16/1095536816.db2.gz SCLPSLDOUHMREP-CJNGLKHVSA-N -1 0 345.305 2.872 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601136718 1095538791 /nfs/dbraw/zinc/53/87/91/1095538791.db2.gz ZVGYEYHFXAOWAF-UHFFFAOYSA-N -1 0 330.347 2.762 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C#N)cc2)c(C)o1 ZINC000796812264 1095572804 /nfs/dbraw/zinc/57/28/04/1095572804.db2.gz DLBDYKCYWVCJDG-UHFFFAOYSA-N -1 0 346.408 2.816 20 30 EFEDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)CC#Cc3ccccc3)nc2C1 ZINC001601243463 1095575050 /nfs/dbraw/zinc/57/50/50/1095575050.db2.gz BSJOFDRHDFFBLC-CYBMUJFWSA-N -1 0 340.404 2.713 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)Nc2cc(F)ccc2F)cc1 ZINC001601340585 1095623055 /nfs/dbraw/zinc/62/30/55/1095623055.db2.gz JMOOUVWSQBILIR-UHFFFAOYSA-N -1 0 334.278 2.652 20 30 EFEDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001601615683 1095766564 /nfs/dbraw/zinc/76/65/64/1095766564.db2.gz FVHUTGAJHSCRMS-MSOLQXFVSA-N -1 0 349.390 2.856 20 30 EFEDRM O=C([O-])[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001601637823 1095777996 /nfs/dbraw/zinc/77/79/96/1095777996.db2.gz FIHGEAXALQRVLP-ZETCQYMHSA-N -1 0 347.186 2.578 20 30 EFEDRM O=C([O-])C1=CC[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001601734984 1095873189 /nfs/dbraw/zinc/87/31/89/1095873189.db2.gz JHQUOOLNEOBXMU-IBGZPJMESA-N -1 0 331.371 2.990 20 30 EFEDRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NCC#Cc1ccccc1 ZINC001602115963 1096072955 /nfs/dbraw/zinc/07/29/55/1096072955.db2.gz MTIONFZQWPIKFP-UHFFFAOYSA-N -1 0 332.359 2.577 20 30 EFEDRM O=C([O-])[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001602184532 1096107749 /nfs/dbraw/zinc/10/77/49/1096107749.db2.gz HRMKOFPBCTZEDD-RTBURBONSA-N -1 0 348.402 2.548 20 30 EFEDRM O=C([O-])c1c(F)cccc1[N-][NH+]=Cc1ccc(N2CCCC2)nc1 ZINC001602231328 1096129179 /nfs/dbraw/zinc/12/91/79/1096129179.db2.gz XWZXRCFAXRECKP-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1cc(C(=O)OCC#Cc2ccc(Cl)cc2Cl)on1 ZINC001602250254 1096138154 /nfs/dbraw/zinc/13/81/54/1096138154.db2.gz YERASMMBZQOWOG-UHFFFAOYSA-N -1 0 340.118 2.888 20 30 EFEDRM O=C([O-])c1cc(C(=O)OCC#Cc2ccccc2)n(-c2ccccc2)n1 ZINC001602249864 1096138278 /nfs/dbraw/zinc/13/82/78/1096138278.db2.gz VEIMPWBKAGMPTL-UHFFFAOYSA-N -1 0 346.342 2.779 20 30 EFEDRM O=C([O-])c1cc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)on1 ZINC001602257102 1096142579 /nfs/dbraw/zinc/14/25/79/1096142579.db2.gz QMTZTUPUSSKRJW-UHFFFAOYSA-N -1 0 333.691 2.522 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C/c1cnc(C3CCC3)s1)C2=O ZINC001602306392 1096168941 /nfs/dbraw/zinc/16/89/41/1096168941.db2.gz UPXALDPHSNWAKN-POHAHGRESA-N -1 0 329.381 2.975 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1cccc(C(F)(F)F)n1 ZINC001602306068 1096169077 /nfs/dbraw/zinc/16/90/77/1096169077.db2.gz JVMKYFRNXAZKNM-UHFFFAOYSA-N -1 0 339.277 2.605 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2=NN=c1[nH]c2ccccc2s1 ZINC001602306301 1096169243 /nfs/dbraw/zinc/16/92/43/1096169243.db2.gz QAXUQGOAKHEGQV-UHFFFAOYSA-N -1 0 327.369 2.801 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCCS(=O)(=O)c2ccccc2)cc1 ZINC001602333147 1096183385 /nfs/dbraw/zinc/18/33/85/1096183385.db2.gz LTINBRFYIBCXCF-UHFFFAOYSA-N -1 0 347.392 2.599 20 30 EFEDRM O=C([O-])c1ccc(COc2ccccc2C=NN[C@H]2CCOC2)cc1 ZINC001602354995 1096200499 /nfs/dbraw/zinc/20/04/99/1096200499.db2.gz SNIQIPVYWHAYDD-KRWDZBQOSA-N -1 0 340.379 2.676 20 30 EFEDRM O=C([O-])c1ccc(COc2ccccc2C=NN[C@@H]2CCOC2)cc1 ZINC001602354996 1096200579 /nfs/dbraw/zinc/20/05/79/1096200579.db2.gz SNIQIPVYWHAYDD-QGZVFWFLSA-N -1 0 340.379 2.676 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@H]2CCN(c3ccccc3)C2)c1 ZINC001602430608 1096240726 /nfs/dbraw/zinc/24/07/26/1096240726.db2.gz NQGWVJSPRGBUDL-SFHVURJKSA-N -1 0 349.386 2.806 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C\c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC001602533441 1096285577 /nfs/dbraw/zinc/28/55/77/1096285577.db2.gz DIBWCFQQNDFQHA-SVEBXFOSSA-N -1 0 339.347 2.844 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC001602553619 1096295973 /nfs/dbraw/zinc/29/59/73/1096295973.db2.gz KSNOVNSTESWBMH-DUXPYHPUSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 ZINC001602632676 1096333276 /nfs/dbraw/zinc/33/32/76/1096333276.db2.gz YMAIDQVYPLQYME-UHFFFAOYSA-N -1 0 349.770 2.516 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C3CC(=O)C3)c2)c1 ZINC001602636666 1096334771 /nfs/dbraw/zinc/33/47/71/1096334771.db2.gz TXEOFYLEXKJUBS-UHFFFAOYSA-N -1 0 333.343 2.702 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001602672406 1096344794 /nfs/dbraw/zinc/34/47/94/1096344794.db2.gz CKIHNANUPBCELE-HIFRSBDPSA-N -1 0 334.803 2.814 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC001602678074 1096347984 /nfs/dbraw/zinc/34/79/84/1096347984.db2.gz HSRPJRPXLLSNMP-MJBXVCDLSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC001602678070 1096348444 /nfs/dbraw/zinc/34/84/44/1096348444.db2.gz HSRPJRPXLLSNMP-IHRRRGAJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602685301 1096349617 /nfs/dbraw/zinc/34/96/17/1096349617.db2.gz QVZACAYLGABKBB-GOSISDBHSA-N -1 0 338.359 2.941 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC001602694055 1096350760 /nfs/dbraw/zinc/35/07/60/1096350760.db2.gz GDFKPBHJXISGSV-MRVPVSSYSA-N -1 0 325.748 2.900 20 30 EFEDRM C#CC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001602693110 1096351445 /nfs/dbraw/zinc/35/14/45/1096351445.db2.gz GXXYYGWRNDDVQT-NSHDSACASA-N -1 0 334.784 2.670 20 30 EFEDRM C#C[C@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC001602689224 1096351518 /nfs/dbraw/zinc/35/15/18/1096351518.db2.gz PGQQSURPEPUDEV-HNNXBMFYSA-N -1 0 337.770 2.624 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602693340 1096351883 /nfs/dbraw/zinc/35/18/83/1096351883.db2.gz QAADAWLFXVSFML-ZDUSSCGKSA-N -1 0 346.383 2.548 20 30 EFEDRM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1 ZINC001602689863 1096352090 /nfs/dbraw/zinc/35/20/90/1096352090.db2.gz NLIVVHRYAOTZGF-GFCCVEGCSA-N -1 0 348.366 2.802 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccccc1 ZINC001602698659 1096353433 /nfs/dbraw/zinc/35/34/33/1096353433.db2.gz PPKNBEMBWHFYMR-CYBMUJFWSA-N -1 0 349.433 2.798 20 30 EFEDRM C#CCC1(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001602699786 1096353788 /nfs/dbraw/zinc/35/37/88/1096353788.db2.gz JNIJOSUEAPKDOD-UHFFFAOYSA-N -1 0 344.411 2.789 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC001602699384 1096354245 /nfs/dbraw/zinc/35/42/45/1096354245.db2.gz CRCIAVGURXGCNX-NSHDSACASA-N -1 0 326.356 2.528 20 30 EFEDRM C#CCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[nH]n1 ZINC001602706197 1096354525 /nfs/dbraw/zinc/35/45/25/1096354525.db2.gz NGMJZZHXWRFDNM-UHFFFAOYSA-N -1 0 339.277 2.507 20 30 EFEDRM C#CCCCCC(=O)N(CCC)c1snc(C)c1-c1nn[nH]n1 ZINC001602705946 1096355234 /nfs/dbraw/zinc/35/52/34/1096355234.db2.gz IHVRWQCOZXNCOD-UHFFFAOYSA-N -1 0 332.433 2.568 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001602708416 1096355294 /nfs/dbraw/zinc/35/52/94/1096355294.db2.gz QVXDSFRPLQXCFR-UHFFFAOYSA-N -1 0 335.359 2.990 20 30 EFEDRM C#CCOCCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001602727659 1096356186 /nfs/dbraw/zinc/35/61/86/1096356186.db2.gz CPJONXYWBRWHQI-UHFFFAOYSA-N -1 0 337.375 2.774 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001602737938 1096357989 /nfs/dbraw/zinc/35/79/89/1096357989.db2.gz AIDVINPCAWWMCM-UHFFFAOYSA-N -1 0 331.803 2.890 20 30 EFEDRM C#CCSCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602734716 1096358253 /nfs/dbraw/zinc/35/82/53/1096358253.db2.gz YBHTUXTXLQZRFL-CYBMUJFWSA-N -1 0 346.235 2.944 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001602734135 1096358489 /nfs/dbraw/zinc/35/84/89/1096358489.db2.gz LUWFQGDEKJYBKB-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001602738555 1096359382 /nfs/dbraw/zinc/35/93/82/1096359382.db2.gz GIBPPTRWBHBHDA-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CC1 ZINC001602739519 1096359643 /nfs/dbraw/zinc/35/96/43/1096359643.db2.gz HHLPZFRDKRVOTA-SRVKXCTJSA-N -1 0 347.440 2.646 20 30 EFEDRM C#Cc1ccc(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c(Cl)c1 ZINC001602738905 1096360201 /nfs/dbraw/zinc/36/02/01/1096360201.db2.gz RJQZUFRKVYBEPZ-UHFFFAOYSA-N -1 0 345.786 2.988 20 30 EFEDRM C#Cc1cccnc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001602743208 1096360324 /nfs/dbraw/zinc/36/03/24/1096360324.db2.gz JISNIUYPHNASED-LSDHHAIUSA-N -1 0 328.318 2.646 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001602746887 1096361988 /nfs/dbraw/zinc/36/19/88/1096361988.db2.gz JPBUBQFJJJDTJE-OTYXRUKQSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001602749168 1096363325 /nfs/dbraw/zinc/36/33/25/1096363325.db2.gz CTASPHBZCDEVMK-CYBMUJFWSA-N -1 0 336.388 2.621 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccccc2OCC)n[nH]1)C(=O)[O-] ZINC001602749315 1096363447 /nfs/dbraw/zinc/36/34/47/1096363447.db2.gz SIJITDOHLIINDL-OAHLLOKOSA-N -1 0 343.383 2.625 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001602754892 1096364364 /nfs/dbraw/zinc/36/43/64/1096364364.db2.gz YOBOSOMFFRQMEA-NSHDSACASA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)CCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001602760854 1096364371 /nfs/dbraw/zinc/36/43/71/1096364371.db2.gz KCERNBRBBLITSX-UHFFFAOYSA-N -1 0 327.384 2.900 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1csc(Br)c1C)C(=O)[O-] ZINC001602755677 1096365020 /nfs/dbraw/zinc/36/50/20/1096365020.db2.gz ZOAOUJKKTYGVOW-VIFPVBQESA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1csc(Br)c1C)C(=O)[O-] ZINC001602755676 1096365419 /nfs/dbraw/zinc/36/54/19/1096365419.db2.gz ZOAOUJKKTYGVOW-SECBINFHSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(Cl)s2)ccc(-c2nnn[n-]2)c1=O ZINC001602763282 1096365592 /nfs/dbraw/zinc/36/55/92/1096365592.db2.gz HHYLLBRTVVCNAV-UHFFFAOYSA-N -1 0 333.804 2.986 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001602762037 1096365823 /nfs/dbraw/zinc/36/58/23/1096365823.db2.gz OHTLAUMPRGMLBX-CYBMUJFWSA-N -1 0 333.384 2.663 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NCc2nc(C(=O)[O-])co2)c1 ZINC001602764867 1096366051 /nfs/dbraw/zinc/36/60/51/1096366051.db2.gz VFHPNEPTCSQQDQ-UHFFFAOYSA-N -1 0 331.328 2.649 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001602762144 1096366106 /nfs/dbraw/zinc/36/61/06/1096366106.db2.gz UGUJJEWXVDNCDA-UHFFFAOYSA-N -1 0 344.415 2.719 20 30 EFEDRM C=C(C)COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)[O-])ccc1OC ZINC001602764686 1096366444 /nfs/dbraw/zinc/36/64/44/1096366444.db2.gz LIKDHPIRYOXUOO-OAHLLOKOSA-N -1 0 348.424 2.528 20 30 EFEDRM C=C(C)Cn1c(-c2cscn2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001602765717 1096366493 /nfs/dbraw/zinc/36/64/93/1096366493.db2.gz HNQPBYZIDBOXGG-VXGBXAGGSA-N -1 0 347.444 2.525 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602765548 1096366676 /nfs/dbraw/zinc/36/66/76/1096366676.db2.gz CHEROZCHGNTPAX-OAHLLOKOSA-N -1 0 326.400 2.741 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602766151 1096366686 /nfs/dbraw/zinc/36/66/86/1096366686.db2.gz WKBKMUNMTCWFGU-KRWDZBQOSA-N -1 0 330.388 2.724 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001602762176 1096366740 /nfs/dbraw/zinc/36/67/40/1096366740.db2.gz VSBWUJYBBGKUAQ-UHFFFAOYSA-N -1 0 332.400 2.871 20 30 EFEDRM C=C(CC(C)C)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001602772166 1096367210 /nfs/dbraw/zinc/36/72/10/1096367210.db2.gz NBXRCAPXCSKGBU-UHFFFAOYSA-N -1 0 327.384 2.993 20 30 EFEDRM C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602769251 1096367514 /nfs/dbraw/zinc/36/75/14/1096367514.db2.gz WCUBGIHOKFYNHD-DYVFJYSZSA-N -1 0 336.436 2.643 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602768364 1096367804 /nfs/dbraw/zinc/36/78/04/1096367804.db2.gz GUTVCRXOZWAVNV-QWHCGFSZSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCc2cc(C(=O)OC)ccc21 ZINC001602775586 1096368492 /nfs/dbraw/zinc/36/84/92/1096368492.db2.gz FSOCBHUNDRUCSS-UHFFFAOYSA-N -1 0 331.368 2.564 20 30 EFEDRM C=C[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1 ZINC001602780098 1096368678 /nfs/dbraw/zinc/36/86/78/1096368678.db2.gz IUQXSWAMFKFYSV-AWEZNQCLSA-N -1 0 337.358 2.592 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001602775689 1096368977 /nfs/dbraw/zinc/36/89/77/1096368977.db2.gz HQARVKBKJQPDEM-MRXNPFEDSA-N -1 0 344.411 2.750 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001602777923 1096369392 /nfs/dbraw/zinc/36/93/92/1096369392.db2.gz ITVOAXUUZSGETE-LLVKDONJSA-N -1 0 347.346 2.782 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1 ZINC001602783455 1096370518 /nfs/dbraw/zinc/37/05/18/1096370518.db2.gz XSBWVXDJFDJNCN-UHFFFAOYSA-N -1 0 335.400 2.519 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Br)c(C)c1 ZINC001602783960 1096370921 /nfs/dbraw/zinc/37/09/21/1096370921.db2.gz LHNIIOTULGRCAX-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(-c2nn[nH]n2)cc1F ZINC001602786752 1096370938 /nfs/dbraw/zinc/37/09/38/1096370938.db2.gz HFIULBZLQVKZQL-UHFFFAOYSA-N -1 0 348.382 2.738 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Br)ccc1OC ZINC001602785828 1096370991 /nfs/dbraw/zinc/37/09/91/1096370991.db2.gz LPDODNDLEYDZPI-UHFFFAOYSA-N -1 0 328.162 2.817 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC001602789259 1096371800 /nfs/dbraw/zinc/37/18/00/1096371800.db2.gz WXTZPSLVYMZHBA-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CCC(C(=O)[O-])CC2)n1CC(C)C ZINC001602807790 1096373344 /nfs/dbraw/zinc/37/33/44/1096373344.db2.gz WDBLCNAGFIQPTO-UHFFFAOYSA-N -1 0 334.464 2.990 20 30 EFEDRM C=C[C@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001602804177 1096373418 /nfs/dbraw/zinc/37/34/18/1096373418.db2.gz MPPCKVGONXZNQF-WMZOPIPTSA-N -1 0 339.391 2.722 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001602807865 1096373464 /nfs/dbraw/zinc/37/34/64/1096373464.db2.gz XDOKRCQBGATKKV-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1)c1ccccc1 ZINC001602802136 1096373649 /nfs/dbraw/zinc/37/36/49/1096373649.db2.gz WYURMFJJYBFHNI-PBHICJAKSA-N -1 0 341.363 2.613 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001602804377 1096373902 /nfs/dbraw/zinc/37/39/02/1096373902.db2.gz NYSDWJMPKSUHFR-TZMCWYRMSA-N -1 0 331.441 2.614 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001602807867 1096374252 /nfs/dbraw/zinc/37/42/52/1096374252.db2.gz XEBGPRKOHCNEPM-ZDUSSCGKSA-N -1 0 346.427 2.607 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001602829037 1096379313 /nfs/dbraw/zinc/37/93/13/1096379313.db2.gz VHFALBQFADBXKF-AWEZNQCLSA-N -1 0 337.441 2.778 20 30 EFEDRM C=C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)[O-] ZINC001602829259 1096379579 /nfs/dbraw/zinc/37/95/79/1096379579.db2.gz YMZQXGNILMNIJI-CQSZACIVSA-N -1 0 344.440 2.594 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602837229 1096380944 /nfs/dbraw/zinc/38/09/44/1096380944.db2.gz IXISYVUKYYWUSU-BWAOXVRWSA-N -1 0 326.462 2.769 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCc2ccc(Br)c(F)c2C1 ZINC001602836415 1096381665 /nfs/dbraw/zinc/38/16/65/1096381665.db2.gz QREFLGOWWKVHRV-LBPRGKRZSA-N -1 0 328.181 2.976 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccncc1 ZINC001602841997 1096382372 /nfs/dbraw/zinc/38/23/72/1096382372.db2.gz CFHPHEOQZRXTTA-KRWDZBQOSA-N -1 0 339.395 2.939 20 30 EFEDRM C=CC[C@@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602845857 1096382550 /nfs/dbraw/zinc/38/25/50/1096382550.db2.gz YFDDYXSCDJTXOC-LLVKDONJSA-N -1 0 331.683 2.502 20 30 EFEDRM C=CC[C@@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)C(=O)[O-] ZINC001602845205 1096382634 /nfs/dbraw/zinc/38/26/34/1096382634.db2.gz LNEFATPUFIIKOT-IUODEOHRSA-N -1 0 328.372 2.524 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccncc1 ZINC001602842847 1096382745 /nfs/dbraw/zinc/38/27/45/1096382745.db2.gz QOBDVPBKKHEXCZ-MRXNPFEDSA-N -1 0 342.399 2.543 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)Nc1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001602842167 1096383020 /nfs/dbraw/zinc/38/30/20/1096383020.db2.gz FAZUSUFGKSDPLB-AWEZNQCLSA-N -1 0 337.383 2.730 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001602845803 1096383029 /nfs/dbraw/zinc/38/30/29/1096383029.db2.gz XEIYKLJVPLOJNH-BEFAXECRSA-N -1 0 345.395 2.501 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccncc1 ZINC001602841938 1096383071 /nfs/dbraw/zinc/38/30/71/1096383071.db2.gz ANROVFCUJFZCJS-PWSUYJOCSA-N -1 0 346.412 2.914 20 30 EFEDRM C=CC[C@@H](OC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)[O-] ZINC001602845131 1096383420 /nfs/dbraw/zinc/38/34/20/1096383420.db2.gz KMZRVIFWBRUBNN-CQSZACIVSA-N -1 0 340.322 2.586 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602845565 1096383508 /nfs/dbraw/zinc/38/35/08/1096383508.db2.gz QWMHTMCKSUQXSR-JOYOIKCWSA-N -1 0 325.342 2.648 20 30 EFEDRM C=CCC1(C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C)CCCC1 ZINC001602850300 1096384294 /nfs/dbraw/zinc/38/42/94/1096384294.db2.gz WIYPTJUZHQBVMF-UHFFFAOYSA-N -1 0 339.432 2.768 20 30 EFEDRM C=CC[C@@H](OC(=O)c1sc([C@H]2CCCOC2)nc1C)C(=O)[O-] ZINC001602850445 1096384708 /nfs/dbraw/zinc/38/47/08/1096384708.db2.gz VIKZPKQSNYJRSG-WDEREUQCSA-N -1 0 325.386 2.532 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCCC1(C)C ZINC001602855727 1096385755 /nfs/dbraw/zinc/38/57/55/1096385755.db2.gz YKVWKJGIMWSBOL-CYBMUJFWSA-N -1 0 329.462 2.638 20 30 EFEDRM C=CCC[C@@H](C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001602855984 1096385855 /nfs/dbraw/zinc/38/58/55/1096385855.db2.gz LSIZTAAQBICJIN-UKRRQHHQSA-N -1 0 343.383 2.717 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001602855800 1096386195 /nfs/dbraw/zinc/38/61/95/1096386195.db2.gz CGWLRKVDJADXIU-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCCC1(C)C ZINC001602855346 1096386376 /nfs/dbraw/zinc/38/63/76/1096386376.db2.gz NTOZTKYXDBFEFM-AWEZNQCLSA-N -1 0 338.429 2.535 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001602855912 1096386605 /nfs/dbraw/zinc/38/66/05/1096386605.db2.gz IOTRJFXNZYDGBH-MRXNPFEDSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001602860618 1096387094 /nfs/dbraw/zinc/38/70/94/1096387094.db2.gz JOWFZXCBUPKOTP-NSHDSACASA-N -1 0 327.402 2.660 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001602860385 1096387581 /nfs/dbraw/zinc/38/75/81/1096387581.db2.gz DIHBVTYJDGCOHO-LBPRGKRZSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602856925 1096387840 /nfs/dbraw/zinc/38/78/40/1096387840.db2.gz KBDWNHNAJHFCKL-UHFFFAOYSA-N -1 0 333.356 2.686 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602860615 1096388041 /nfs/dbraw/zinc/38/80/41/1096388041.db2.gz JKEOSKYCJNCVFG-LLVKDONJSA-N -1 0 343.383 2.666 20 30 EFEDRM C=CCC[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001602857511 1096388357 /nfs/dbraw/zinc/38/83/57/1096388357.db2.gz SQJUTNBVSGEWQM-INIZCTEOSA-N -1 0 342.395 2.921 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001602857194 1096388409 /nfs/dbraw/zinc/38/84/09/1096388409.db2.gz NIIMEDDZWZULJX-UHFFFAOYSA-N -1 0 329.393 2.855 20 30 EFEDRM C=CCC[C@H]1NC(=O)N([C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602860626 1096388431 /nfs/dbraw/zinc/38/84/31/1096388431.db2.gz JSYBOXQTHFNWNN-ZIAGYGMSSA-N -1 0 330.384 2.725 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001602869432 1096388712 /nfs/dbraw/zinc/38/87/12/1096388712.db2.gz COTOXFGZASKDQF-UHFFFAOYSA-N -1 0 329.393 2.939 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC)C(=O)[O-] ZINC001602864989 1096388966 /nfs/dbraw/zinc/38/89/66/1096388966.db2.gz CHRSLUZXFIPOKV-OLZOCXBDSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSc1nccn1C(C)(C)C)C(=O)[O-] ZINC001602864954 1096389335 /nfs/dbraw/zinc/38/93/35/1096389335.db2.gz BXNLZEYMTKJXGB-GFCCVEGCSA-N -1 0 339.461 2.656 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSc1nccn1C(C)(C)C)C(=O)[O-] ZINC001602864957 1096389448 /nfs/dbraw/zinc/38/94/48/1096389448.db2.gz BXNLZEYMTKJXGB-LBPRGKRZSA-N -1 0 339.461 2.656 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001602862880 1096389488 /nfs/dbraw/zinc/38/94/88/1096389488.db2.gz JHXHOEXFEXSFSY-KZULUSFZSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC001602869578 1096389855 /nfs/dbraw/zinc/38/98/55/1096389855.db2.gz CKHNVNJACBCXNR-AWEZNQCLSA-N -1 0 331.347 2.755 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)OC)cc1C)C(=O)[O-] ZINC001602872548 1096390108 /nfs/dbraw/zinc/39/01/08/1096390108.db2.gz VAVVGKIUBWMNAJ-CQSZACIVSA-N -1 0 334.372 2.713 20 30 EFEDRM C=CCCCCCCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001602870026 1096390277 /nfs/dbraw/zinc/39/02/77/1096390277.db2.gz HLFJVDCUKDNUAG-ZDUSSCGKSA-N -1 0 334.420 2.852 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1N=S(C)(C)=O)C(=O)[O-] ZINC001602871574 1096390325 /nfs/dbraw/zinc/39/03/25/1096390325.db2.gz NPCNKXIWDRQNLT-CQSZACIVSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)C(=O)[O-] ZINC001602870274 1096390432 /nfs/dbraw/zinc/39/04/32/1096390432.db2.gz GABOWLXADGCXOQ-MRXNPFEDSA-N -1 0 343.358 2.822 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001602874803 1096390479 /nfs/dbraw/zinc/39/04/79/1096390479.db2.gz BCRVLDHMNHAAIM-HNNXBMFYSA-N -1 0 325.430 2.820 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)[O-] ZINC001602873027 1096390496 /nfs/dbraw/zinc/39/04/96/1096390496.db2.gz OYXXZOZANURJMO-MRXNPFEDSA-N -1 0 335.425 2.703 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(NCC)c(Cl)c1)C(=O)[O-] ZINC001602872285 1096390863 /nfs/dbraw/zinc/39/08/63/1096390863.db2.gz HKCKXHXRIKGEGO-GFCCVEGCSA-N -1 0 325.796 2.706 20 30 EFEDRM C=CCCCNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001602874800 1096391059 /nfs/dbraw/zinc/39/10/59/1096391059.db2.gz ANGBREYXFUBIDJ-UHFFFAOYSA-N -1 0 341.205 2.913 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC001602872808 1096391081 /nfs/dbraw/zinc/39/10/81/1096391081.db2.gz OCPIADBHJCWZNE-SECBINFHSA-N -1 0 337.850 2.798 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)nn1 ZINC001602884713 1096391713 /nfs/dbraw/zinc/39/17/13/1096391713.db2.gz PNEROKOFQLUJCA-UHFFFAOYSA-N -1 0 338.726 2.597 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001602881245 1096391740 /nfs/dbraw/zinc/39/17/40/1096391740.db2.gz NFNOZGLUUFNERE-UHFFFAOYSA-N -1 0 332.400 2.822 20 30 EFEDRM C=CCCn1cc(COc2c(C(=O)[O-])cncc2C(F)(F)F)nn1 ZINC001602884389 1096392057 /nfs/dbraw/zinc/39/20/57/1096392057.db2.gz ANVZEIZVGKNDLD-UHFFFAOYSA-N -1 0 342.277 2.545 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001602875156 1096392064 /nfs/dbraw/zinc/39/20/64/1096392064.db2.gz ZQFBMQKQXJDVMQ-UHFFFAOYSA-N -1 0 348.399 2.535 20 30 EFEDRM C=CCN(Cc1nc(C(=O)[O-])cs1)Cc1cccc([N+](=O)[O-])c1 ZINC001602893885 1096393429 /nfs/dbraw/zinc/39/34/29/1096393429.db2.gz NXYDYVUNWBHKHY-UHFFFAOYSA-N -1 0 333.369 2.938 20 30 EFEDRM C=CCN(CCOC)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001602891106 1096393448 /nfs/dbraw/zinc/39/34/48/1096393448.db2.gz XNJNHLMJDZIBIR-CYBMUJFWSA-N -1 0 328.206 2.709 20 30 EFEDRM CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)CCCCC(=O)[O-] ZINC001602908271 1096397910 /nfs/dbraw/zinc/39/79/10/1096397910.db2.gz RHWVVYHUACKCJR-LLVKDONJSA-N -1 0 330.392 2.936 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2F)o1 ZINC001602911946 1096399806 /nfs/dbraw/zinc/39/98/06/1096399806.db2.gz KUAWJCIYSLJZLU-UHFFFAOYSA-N -1 0 329.339 2.953 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2C#N)o1 ZINC001602912219 1096400131 /nfs/dbraw/zinc/40/01/31/1096400131.db2.gz OIKCPRZVOMBCMD-UHFFFAOYSA-N -1 0 336.359 2.686 20 30 EFEDRM C=CCOc1ccc(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001602921894 1096400931 /nfs/dbraw/zinc/40/09/31/1096400931.db2.gz DKDCKAGSRKTZOY-UHFFFAOYSA-N -1 0 344.367 2.532 20 30 EFEDRM C=CCSc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001602926198 1096401372 /nfs/dbraw/zinc/40/13/72/1096401372.db2.gz VLFSCDQRZMOJHG-UHFFFAOYSA-N -1 0 328.393 2.988 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)c1ccnn1C ZINC001602926241 1096401429 /nfs/dbraw/zinc/40/14/29/1096401429.db2.gz XIZOKVBWICZNNG-NSHDSACASA-N -1 0 344.367 2.565 20 30 EFEDRM C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602935191 1096401968 /nfs/dbraw/zinc/40/19/68/1096401968.db2.gz ASCCSVBCBUANBZ-KRWDZBQOSA-N -1 0 346.456 2.808 20 30 EFEDRM C=CCn1c([C@@H](CC)OCC)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602931435 1096401981 /nfs/dbraw/zinc/40/19/81/1096401981.db2.gz ULQLCXXRZFQCQQ-IYOUNJFTSA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602932208 1096402403 /nfs/dbraw/zinc/40/24/03/1096402403.db2.gz MCWHAFHOQSSOQO-WBMJQRKESA-N -1 0 336.461 2.723 20 30 EFEDRM C=CCn1c([C@@H]2C[C@@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931943 1096402446 /nfs/dbraw/zinc/40/24/46/1096402446.db2.gz GBTMRGDPFKQHHY-SYQHCUMBSA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CCC)[C@H](C)C(=O)[O-])c(OC)c1 ZINC001602927059 1096402529 /nfs/dbraw/zinc/40/25/29/1096402529.db2.gz YMDVWHWVYXOUDR-CYBMUJFWSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCn1c2ncn(Cc3ccoc3C(=O)[O-])c(=O)c2sc1=S ZINC001602930849 1096402836 /nfs/dbraw/zinc/40/28/36/1096402836.db2.gz GLBRNVUADYDHNC-UHFFFAOYSA-N -1 0 349.393 2.514 20 30 EFEDRM C=CCn1c([C@H]2CCCS2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602932207 1096402850 /nfs/dbraw/zinc/40/28/50/1096402850.db2.gz MCWHAFHOQSSOQO-MLGOLLRUSA-N -1 0 336.461 2.723 20 30 EFEDRM C=CCn1c([C@H]2C[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931944 1096402861 /nfs/dbraw/zinc/40/28/61/1096402861.db2.gz GBTMRGDPFKQHHY-XJFOESAGSA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001602937260 1096403484 /nfs/dbraw/zinc/40/34/84/1096403484.db2.gz SNUMJDLWJHZECP-NSHDSACASA-N -1 0 331.397 2.574 20 30 EFEDRM C=CCn1c(SC[C@H](F)C(=O)[O-])nnc1-c1ccccc1F ZINC001602937565 1096403550 /nfs/dbraw/zinc/40/35/50/1096403550.db2.gz ZZSLYZMEYOIZHE-NSHDSACASA-N -1 0 325.340 2.785 20 30 EFEDRM C=CCn1c(Cc2ccoc2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602935758 1096403560 /nfs/dbraw/zinc/40/35/60/1096403560.db2.gz XHQAENRHHUIXKC-UHFFFAOYSA-N -1 0 344.415 2.729 20 30 EFEDRM C=CCn1c(Cc2ccco2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602935522 1096403726 /nfs/dbraw/zinc/40/37/26/1096403726.db2.gz NLEHVDQZZIAPSU-AWEZNQCLSA-N -1 0 344.415 2.729 20 30 EFEDRM C=CCn1c(S[C@H](C=C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001602937064 1096403762 /nfs/dbraw/zinc/40/37/62/1096403762.db2.gz NHCCLCWMTKJYQI-CYBMUJFWSA-N -1 0 331.397 2.871 20 30 EFEDRM CC#CCN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001602947163 1096404937 /nfs/dbraw/zinc/40/49/37/1096404937.db2.gz PENQHMUQPMJDAC-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM CC(=O)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC001603103839 1096442618 /nfs/dbraw/zinc/44/26/18/1096442618.db2.gz WPSGBQHDSCANTQ-UHFFFAOYSA-N -1 0 329.333 2.878 20 30 EFEDRM CC(=O)c1ccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001603112191 1096447266 /nfs/dbraw/zinc/44/72/66/1096447266.db2.gz PKQMWTHAZIARMR-UHFFFAOYSA-N -1 0 340.335 2.577 20 30 EFEDRM CC(C)(C)c1ccc2c(c1)CCN2c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001603117813 1096449537 /nfs/dbraw/zinc/44/95/37/1096449537.db2.gz JXFQMCGUGFCMDM-UHFFFAOYSA-N -1 0 346.398 2.520 20 30 EFEDRM CC(=O)c1csc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001603126945 1096452966 /nfs/dbraw/zinc/45/29/66/1096452966.db2.gz SGQRFNHPDPSERF-UHFFFAOYSA-N -1 0 329.333 2.878 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001603132347 1096455051 /nfs/dbraw/zinc/45/50/51/1096455051.db2.gz XOGCHOAPHZMMNJ-HVNMYJMUSA-N -1 0 343.383 2.598 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001603132214 1096455269 /nfs/dbraw/zinc/45/52/69/1096455269.db2.gz UIEAUKBPCZQFGX-AAEUAGOBSA-N -1 0 331.372 2.600 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)cc1 ZINC001603230735 1096479145 /nfs/dbraw/zinc/47/91/45/1096479145.db2.gz XOEQFUVSGACLJY-UHFFFAOYSA-N -1 0 338.367 2.581 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)Cc2ccc(C#N)cc2)n1 ZINC001603277995 1096493186 /nfs/dbraw/zinc/49/31/86/1096493186.db2.gz VRERUYBTGCOAEQ-UHFFFAOYSA-N -1 0 329.381 2.558 20 30 EFEDRM CC(C)(C)C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001603326597 1096506117 /nfs/dbraw/zinc/50/61/17/1096506117.db2.gz BOPSKFJRWHPCNZ-SNVBAGLBSA-N -1 0 343.305 2.591 20 30 EFEDRM CC(C)(C)OC(=O)CN(Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC001603373521 1096516241 /nfs/dbraw/zinc/51/62/41/1096516241.db2.gz AZGNVJOAOPOKND-UHFFFAOYSA-N -1 0 344.411 2.810 20 30 EFEDRM CC(C)(C)OC(=O)NC1CC(N=Nc2cccc(C(=O)[O-])c2F)C1 ZINC001603446201 1096529718 /nfs/dbraw/zinc/52/97/18/1096529718.db2.gz VHVPMMGCSRPPPC-UHFFFAOYSA-N -1 0 337.351 2.979 20 30 EFEDRM C[C@@H](CCC1CCCCC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603466030 1096535360 /nfs/dbraw/zinc/53/53/60/1096535360.db2.gz HJWJLLGHZBTOKM-NSHDSACASA-N -1 0 326.408 2.689 20 30 EFEDRM CC(C)(C)c1ccc(C#N)c(N(CCC(=O)[O-])C[C@H]2CCCO2)n1 ZINC001603533614 1096545902 /nfs/dbraw/zinc/54/59/02/1096545902.db2.gz WHTCXXVUXGXCFV-CQSZACIVSA-N -1 0 331.416 2.711 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001603693513 1096592593 /nfs/dbraw/zinc/59/25/93/1096592593.db2.gz RWNHPCQRYMWCAT-UHFFFAOYSA-N -1 0 340.335 2.758 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603743654 1096611234 /nfs/dbraw/zinc/61/12/34/1096611234.db2.gz KCFMEUASBGPLAL-DDUZABMNSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-] ZINC001603776419 1096624138 /nfs/dbraw/zinc/62/41/38/1096624138.db2.gz ZLHZFZSCGKBYIO-ZETCQYMHSA-N -1 0 330.797 2.537 20 30 EFEDRM CC(C)Cc1ccc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001603847550 1096644354 /nfs/dbraw/zinc/64/43/54/1096644354.db2.gz KLFZYNMFVLJDPV-UHFFFAOYSA-N -1 0 328.412 2.645 20 30 EFEDRM CC(C)N(CCC#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001603877385 1096653757 /nfs/dbraw/zinc/65/37/57/1096653757.db2.gz MCRUBYYQQXYTAO-UHFFFAOYSA-N -1 0 346.408 2.851 20 30 EFEDRM CC(C)NC(=S)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001603904019 1096665662 /nfs/dbraw/zinc/66/56/62/1096665662.db2.gz DUUYIUXJPIJSPU-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001603966212 1096684233 /nfs/dbraw/zinc/68/42/33/1096684233.db2.gz XCLAGLQCXCRWQN-UHFFFAOYSA-N -1 0 333.302 2.668 20 30 EFEDRM CC(C)c1ncc2c(n1)CCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001604019201 1096701561 /nfs/dbraw/zinc/70/15/61/1096701561.db2.gz AAOPWMLHLXYGQB-QGZVFWFLSA-N -1 0 336.395 2.656 20 30 EFEDRM C[C@@H](CCC#N)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001604130890 1096746507 /nfs/dbraw/zinc/74/65/07/1096746507.db2.gz WPSAGUFVPTXYEI-SCLBCKFNSA-N -1 0 345.447 2.786 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1sccc1C#N)C(=O)[O-] ZINC001604160534 1096757212 /nfs/dbraw/zinc/75/72/12/1096757212.db2.gz DBTZHIDDYZDFNM-LBPRGKRZSA-N -1 0 328.393 2.983 20 30 EFEDRM C[C@@](CNC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001604173788 1096762242 /nfs/dbraw/zinc/76/22/42/1096762242.db2.gz DLENFOBPIUOMDU-FQEVSTJZSA-N -1 0 336.391 2.650 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001604217756 1096776134 /nfs/dbraw/zinc/77/61/34/1096776134.db2.gz NZWRGIPQEJMYPR-CQSZACIVSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@@H](Cc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC001604228955 1096779912 /nfs/dbraw/zinc/77/99/12/1096779912.db2.gz PYLTXSBTZMOOGM-AWEZNQCLSA-N -1 0 343.427 2.704 20 30 EFEDRM C[C@](NC(=O)[C@@H](C#N)CCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001604263378 1096788680 /nfs/dbraw/zinc/78/86/80/1096788680.db2.gz TVBHBCLYVCQLHN-OXQOHEQNSA-N -1 0 336.391 2.875 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604310270 1096801751 /nfs/dbraw/zinc/80/17/51/1096801751.db2.gz FHAKKROFOJEXGZ-MLGOLLRUSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@](NC(=O)c1ccc(CC#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001604309099 1096802324 /nfs/dbraw/zinc/80/23/24/1096802324.db2.gz MPAKJAZYMSDKGI-GOSISDBHSA-N -1 0 326.327 2.622 20 30 EFEDRM C[C@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001604309598 1096802434 /nfs/dbraw/zinc/80/24/34/1096802434.db2.gz ZJDSYLZLURPJIN-LJQANCHMSA-N -1 0 334.375 2.972 20 30 EFEDRM C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604309054 1096802755 /nfs/dbraw/zinc/80/27/55/1096802755.db2.gz KYWNPHQNKASFOZ-LRDDRELGSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@H](ON=C(N)COc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001604425781 1096849285 /nfs/dbraw/zinc/84/92/85/1096849285.db2.gz SGBDNENJQWRCQZ-LBPRGKRZSA-N -1 0 339.351 2.895 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001604426946 1096849745 /nfs/dbraw/zinc/84/97/45/1096849745.db2.gz LAJDUTKVRQJFJE-VIFPVBQESA-N -1 0 345.742 2.711 20 30 EFEDRM C[C@]1(C#N)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC001604484185 1096879186 /nfs/dbraw/zinc/87/91/86/1096879186.db2.gz CFELIVSKWVXATP-OCCSQVGLSA-N -1 0 329.183 2.734 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001604518244 1096888470 /nfs/dbraw/zinc/88/84/70/1096888470.db2.gz CKNZLTLQGOISKF-IBGZPJMESA-N -1 0 344.386 2.710 20 30 EFEDRM CC1(C)Cc2cccc(/C=C3/CCn4nc(C(=O)[O-])cc4C3=O)c2O1 ZINC001604554909 1096902798 /nfs/dbraw/zinc/90/27/98/1096902798.db2.gz VOYCQKCYPQTKRH-FLIBITNWSA-N -1 0 338.363 2.965 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(C#N)c2Cl)N(C)C(=O)N1C ZINC001604607160 1096913619 /nfs/dbraw/zinc/91/36/19/1096913619.db2.gz JQXFJRHABKLQRU-ZDUSSCGKSA-N -1 0 337.738 2.748 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2c(F)cc(C#N)cc2F)NC(=O)N1CC(C)C ZINC001604607037 1096913697 /nfs/dbraw/zinc/91/36/97/1096913697.db2.gz HRPMTCFUGMUOQU-OAHLLOKOSA-N -1 0 349.337 2.917 20 30 EFEDRM C[C@H]1CCCc2ncc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)n21 ZINC001604740303 1096945015 /nfs/dbraw/zinc/94/50/15/1096945015.db2.gz ONUJMOAOZUEGLX-ZBEGNZNMSA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@H]1CCc2ccccc2N1CCNc1ccc(C(=O)[O-])nc1C#N ZINC001604762959 1096950871 /nfs/dbraw/zinc/95/08/71/1096950871.db2.gz CAEVMWPCEWNWEO-ZDUSSCGKSA-N -1 0 336.395 2.905 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604865326 1096971974 /nfs/dbraw/zinc/97/19/74/1096971974.db2.gz WTPRIVLHJMAESU-RMLUDKJBSA-N -1 0 329.183 2.959 20 30 EFEDRM CC[C@H](C#N)N(CC)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001604865471 1096972266 /nfs/dbraw/zinc/97/22/66/1096972266.db2.gz ZOINRZMOIKOKQB-GFCCVEGCSA-N -1 0 339.189 2.912 20 30 EFEDRM CC[C@](C)(C#N)C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001604887755 1096974552 /nfs/dbraw/zinc/97/45/52/1096974552.db2.gz IKXLTMHXABEQOV-QGZVFWFLSA-N -1 0 334.372 2.565 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001604887181 1096974729 /nfs/dbraw/zinc/97/47/29/1096974729.db2.gz FVXMILUSQHKPCY-MRXNPFEDSA-N -1 0 335.791 2.712 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)CSc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001604937296 1096984265 /nfs/dbraw/zinc/98/42/65/1096984265.db2.gz XTMLCGRBGOBABP-XPTSAGLGSA-N -1 0 340.832 2.919 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001604961390 1096988268 /nfs/dbraw/zinc/98/82/68/1096988268.db2.gz LPMKHDJMBLDOSF-INIZCTEOSA-N -1 0 345.443 2.735 20 30 EFEDRM CC[C@](CNC(=O)c1cc(C#N)oc1C)(C(=O)[O-])c1ccccc1 ZINC001605035413 1097007466 /nfs/dbraw/zinc/00/74/66/1097007466.db2.gz CJSQNMHIKJSVIF-GOSISDBHSA-N -1 0 326.352 2.622 20 30 EFEDRM CC[C@@H](COC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC001605050692 1097010388 /nfs/dbraw/zinc/01/03/88/1097010388.db2.gz VZUDWVLJWFAMIV-ZDUSSCGKSA-N -1 0 343.335 2.998 20 30 EFEDRM COCCC1(CN=Nc2oc(C)nc2-c2nnn[n-]2)CCCCC1 ZINC001605080086 1097018190 /nfs/dbraw/zinc/01/81/90/1097018190.db2.gz WPDUYVGJGJAOCL-UHFFFAOYSA-N -1 0 333.396 2.548 20 30 EFEDRM CC[C@H](NC(=S)N1CCC(C#N)(C(=O)[O-])CC1)c1cccs1 ZINC001605089418 1097019781 /nfs/dbraw/zinc/01/97/81/1097019781.db2.gz DYOOEYSKFJWTSD-NSHDSACASA-N -1 0 337.470 2.764 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(C#N)cn1C ZINC001605126099 1097027093 /nfs/dbraw/zinc/02/70/93/1097027093.db2.gz FTNMUECQFKGKBB-HNNXBMFYSA-N -1 0 325.368 2.575 20 30 EFEDRM CC/C=C/[C@H](OC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605185211 1097046521 /nfs/dbraw/zinc/04/65/21/1097046521.db2.gz ZDJXWBJWLVLVSE-YCOJEUHLSA-N -1 0 339.351 2.629 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001605192891 1097047193 /nfs/dbraw/zinc/04/71/93/1097047193.db2.gz PSDCYORVAPVVLF-UHFFFAOYSA-N -1 0 338.429 2.834 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001605249651 1097067511 /nfs/dbraw/zinc/06/75/11/1097067511.db2.gz HDPNDZKNDXSNGU-GJZGRUSLSA-N -1 0 336.388 2.605 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001605249657 1097068070 /nfs/dbraw/zinc/06/80/70/1097068070.db2.gz HDPNDZKNDXSNGU-LSDHHAIUSA-N -1 0 336.388 2.605 20 30 EFEDRM CCCC[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605252682 1097068852 /nfs/dbraw/zinc/06/88/52/1097068852.db2.gz YYCCNPCYQOVYEW-OAHLLOKOSA-N -1 0 327.340 2.544 20 30 EFEDRM CCCC[C@@H](SCCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001605251422 1097069046 /nfs/dbraw/zinc/06/90/46/1097069046.db2.gz RRHLHUCJKNMVFD-CQSZACIVSA-N -1 0 341.454 2.709 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001605252626 1097069244 /nfs/dbraw/zinc/06/92/44/1097069244.db2.gz YAYVRLPMIVCPCK-JKSUJKDBSA-N -1 0 348.399 2.836 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001605252625 1097069325 /nfs/dbraw/zinc/06/93/25/1097069325.db2.gz YAYVRLPMIVCPCK-HZPDHXFCSA-N -1 0 348.399 2.836 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)c(C)c2)c([O-])c1 ZINC001605255828 1097069985 /nfs/dbraw/zinc/06/99/85/1097069985.db2.gz XUJKTANKEFJYRA-YWEYNIOJSA-N -1 0 336.351 2.785 20 30 EFEDRM CCCNC(=O)CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001605330580 1097097505 /nfs/dbraw/zinc/09/75/05/1097097505.db2.gz AVVLZUBCPPGHHX-UHFFFAOYSA-N -1 0 336.391 2.723 20 30 EFEDRM COc1ccsc1C(=O)C=Cc1ccc(-c2nn[nH]n2)cc1F ZINC001605338537 1097100814 /nfs/dbraw/zinc/10/08/14/1097100814.db2.gz WZIDHZBRJTZYMW-PLNGDYQASA-N -1 0 330.344 2.972 20 30 EFEDRM CCN(C(=O)Cc1ccccc1CC#N)c1ncc(C(=O)[O-])s1 ZINC001605395635 1097117062 /nfs/dbraw/zinc/11/70/62/1097117062.db2.gz ABRPDJJPYSXTAO-UHFFFAOYSA-N -1 0 329.381 2.503 20 30 EFEDRM CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccccc1C(=O)[O-] ZINC001605396024 1097117078 /nfs/dbraw/zinc/11/70/78/1097117078.db2.gz HBPJJTCTACRVEA-UHFFFAOYSA-N -1 0 338.363 2.883 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001605436553 1097124899 /nfs/dbraw/zinc/12/48/99/1097124899.db2.gz AQHQIFDWNDZOGQ-UHFFFAOYSA-N -1 0 340.177 2.915 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(CC#N)cc1 ZINC001605461292 1097130799 /nfs/dbraw/zinc/13/07/99/1097130799.db2.gz PXPDLDDJJHEHLQ-UHFFFAOYSA-N -1 0 344.392 2.666 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c1 ZINC001605544334 1097155708 /nfs/dbraw/zinc/15/57/08/1097155708.db2.gz GSEQTOXSVHWAQF-VOTSOKGWSA-N -1 0 344.319 2.816 20 30 EFEDRM CCOc1cc(CNc2ccc(C(=O)[O-])nc2C#N)ccc1OC ZINC001605671307 1097189329 /nfs/dbraw/zinc/18/93/29/1097189329.db2.gz OHUMOWWRAPLOMF-UHFFFAOYSA-N -1 0 327.340 2.671 20 30 EFEDRM CCc1[nH]c(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001605771628 1097221209 /nfs/dbraw/zinc/22/12/09/1097221209.db2.gz GFQKQGGNBIGVLJ-GOSISDBHSA-N -1 0 339.395 2.720 20 30 EFEDRM CCc1ccc(C#CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001605805022 1097232352 /nfs/dbraw/zinc/23/23/52/1097232352.db2.gz ZTXGXVRVNBVWAY-WOJBJXKFSA-N -1 0 347.414 2.927 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001605804795 1097232868 /nfs/dbraw/zinc/23/28/68/1097232868.db2.gz XSNGCTHHWUOOHM-GOSISDBHSA-N -1 0 343.329 2.821 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001605807647 1097233835 /nfs/dbraw/zinc/23/38/35/1097233835.db2.gz OQKUSBHYTNXXQG-YESZJQIVSA-N -1 0 344.411 2.684 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001605819065 1097236682 /nfs/dbraw/zinc/23/66/82/1097236682.db2.gz PGKFVEHNODWVHM-LBPRGKRZSA-N -1 0 326.308 2.501 20 30 EFEDRM CCc1ccc2c(c1)C(=NNc1cccc(F)c1C(=O)[O-])C(=O)N2 ZINC001605824866 1097239259 /nfs/dbraw/zinc/23/92/59/1097239259.db2.gz PLGBIRPUADXNLN-UHFFFAOYSA-N -1 0 327.315 2.855 20 30 EFEDRM CCc1nc(C#N)cc(N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC001605844557 1097249475 /nfs/dbraw/zinc/24/94/75/1097249475.db2.gz MALMDAPZCOIBRH-UHFFFAOYSA-N -1 0 346.337 2.670 20 30 EFEDRM CCc1nc(C#N)cc(Oc2cc(/C=C\C(=O)[O-])ccc2OC)n1 ZINC001605844777 1097249595 /nfs/dbraw/zinc/24/95/95/1097249595.db2.gz UBNLUWHXSOZSTO-ALCCZGGFSA-N -1 0 325.324 2.809 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001605879348 1097264269 /nfs/dbraw/zinc/26/42/69/1097264269.db2.gz CTWJGRVNZKLZDD-IBGZPJMESA-N -1 0 339.395 2.993 20 30 EFEDRM CCc1oc(CN2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)[O-] ZINC001605889942 1097267339 /nfs/dbraw/zinc/26/73/39/1097267339.db2.gz BQOBGOZIAVKCDU-UHFFFAOYSA-N -1 0 339.395 2.993 20 30 EFEDRM Cc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1F ZINC001605913275 1097274953 /nfs/dbraw/zinc/27/49/53/1097274953.db2.gz BJUWYQHLTLUXQP-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM CN(C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@@H]1CCC[C@@H]1C#N ZINC001605975273 1097290652 /nfs/dbraw/zinc/29/06/52/1097290652.db2.gz HVULWWZKQXSTOL-MWLCHTKSSA-N -1 0 349.412 2.675 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC=CCc2ccc(F)cc2F)o1 ZINC001606020397 1097300180 /nfs/dbraw/zinc/30/01/80/1097300180.db2.gz WRPVIHIITPXCLE-DDWFUMEVSA-N -1 0 331.286 2.552 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001606043805 1097305637 /nfs/dbraw/zinc/30/56/37/1097305637.db2.gz QOPYHRFPYAAXTG-UHFFFAOYSA-N -1 0 343.427 2.922 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001606043461 1097306098 /nfs/dbraw/zinc/30/60/98/1097306098.db2.gz IVGOPZNPGGKVKA-MRXNPFEDSA-N -1 0 342.326 2.746 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=C2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001606055329 1097307657 /nfs/dbraw/zinc/30/76/57/1097307657.db2.gz PHSZQVBASQJXKS-LLVKDONJSA-N -1 0 334.445 2.670 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001606139316 1097326262 /nfs/dbraw/zinc/32/62/62/1097326262.db2.gz BRMXTQHGYLEDQP-UHFFFAOYSA-N -1 0 326.396 2.594 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC001606154214 1097330832 /nfs/dbraw/zinc/33/08/32/1097330832.db2.gz SWFYSONFXJUYCR-HNNXBMFYSA-N -1 0 337.379 2.826 20 30 EFEDRM CN(Cc1cc(C#N)cs1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001606177333 1097339143 /nfs/dbraw/zinc/33/91/43/1097339143.db2.gz ASKXUCGXDYJOOJ-UHFFFAOYSA-N -1 0 326.381 2.826 20 30 EFEDRM N#Cc1cc(C#N)cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167936217 1097351728 /nfs/dbraw/zinc/35/17/28/1097351728.db2.gz JDKONZFGVOHTJK-UHFFFAOYSA-N -1 0 339.291 2.515 20 30 EFEDRM COC(=O)C(C)(C)c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001606318507 1097379334 /nfs/dbraw/zinc/37/93/34/1097379334.db2.gz MBUYIQNSXUJVHP-UHFFFAOYSA-N -1 0 339.351 2.846 20 30 EFEDRM N#Cc1nc(SCc2ccccc2C2CC2)cnc1-c1nnn[n-]1 ZINC001606397119 1097398031 /nfs/dbraw/zinc/39/80/31/1097398031.db2.gz HQHMKUAIQBPDQX-UHFFFAOYSA-N -1 0 335.396 2.698 20 30 EFEDRM N#Cc1ncc(N[C@H]2CCC[C@@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC001606398042 1097398157 /nfs/dbraw/zinc/39/81/57/1097398157.db2.gz ISHHWQOVIMHOCW-KGLIPLIRSA-N -1 0 346.398 2.667 20 30 EFEDRM N#Cc1nc(Oc2ccc(C3CC3)cc2Cl)cnc1-c1nnn[n-]1 ZINC001606397532 1097398214 /nfs/dbraw/zinc/39/82/14/1097398214.db2.gz SIFKFWPZYKQAFP-UHFFFAOYSA-N -1 0 339.746 2.851 20 30 EFEDRM N#Cc1ncc(N[C@H]2CCC[C@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC001606398041 1097398477 /nfs/dbraw/zinc/39/84/77/1097398477.db2.gz ISHHWQOVIMHOCW-KBPBESRZSA-N -1 0 346.398 2.667 20 30 EFEDRM N#Cc1ncc(SCc2ccccc2C2CC2)nc1-c1nnn[n-]1 ZINC001606398251 1097398755 /nfs/dbraw/zinc/39/87/55/1097398755.db2.gz SUURKOYNUZFBJH-UHFFFAOYSA-N -1 0 335.396 2.698 20 30 EFEDRM COC(=O)c1cc(COc2cccc(F)c2C#N)cc(C(=O)[O-])c1 ZINC001606543025 1097416992 /nfs/dbraw/zinc/41/69/92/1097416992.db2.gz ASXRMWKTSPKVQG-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COC(=O)c1cc(COc2ccc(C#N)c(C)c2)cc(C(=O)[O-])c1 ZINC001606544019 1097417566 /nfs/dbraw/zinc/41/75/66/1097417566.db2.gz VUZSZOZJABQXMR-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COC(=O)c1cccc([C@@H](Sc2cccnc2C#N)C(=O)[O-])c1 ZINC001606611873 1097429002 /nfs/dbraw/zinc/42/90/02/1097429002.db2.gz SSTHAQIMQZRGMS-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccc(CNc2cc(F)cc(C(=O)[O-])c2F)c1C#N ZINC001606617110 1097430027 /nfs/dbraw/zinc/43/00/27/1097430027.db2.gz ZGXNBRDVIYNQQI-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COCc1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC001606952065 1097479541 /nfs/dbraw/zinc/47/95/41/1097479541.db2.gz VKNYFQDUKOXHGV-UHFFFAOYSA-N -1 0 345.742 2.704 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001606995741 1097492382 /nfs/dbraw/zinc/49/23/82/1097492382.db2.gz AAOONJWCNCVELH-MRXNPFEDSA-N -1 0 327.336 2.520 20 30 EFEDRM COc1c(C)cnc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001607021561 1097497149 /nfs/dbraw/zinc/49/71/49/1097497149.db2.gz XGMABDNHGMTMSD-QGZVFWFLSA-N -1 0 339.395 2.836 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001607065225 1097504112 /nfs/dbraw/zinc/50/41/12/1097504112.db2.gz QDVUDWGVQDSUNO-UHFFFAOYSA-N -1 0 343.339 2.830 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001607065142 1097504461 /nfs/dbraw/zinc/50/44/61/1097504461.db2.gz JUFVVMADQNHIPG-UHFFFAOYSA-N -1 0 329.352 2.645 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001607064916 1097504642 /nfs/dbraw/zinc/50/46/42/1097504642.db2.gz CDVRVXVFCBLAMN-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C)c(C#N)c2)c1O ZINC001607104405 1097515598 /nfs/dbraw/zinc/51/55/98/1097515598.db2.gz UQKPXZMKUZUWJZ-UHFFFAOYSA-N -1 0 326.308 2.531 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1nc2ccccn2c1C#N ZINC001607121579 1097523780 /nfs/dbraw/zinc/52/37/80/1097523780.db2.gz RUNPIJJTUHZHBV-UHFFFAOYSA-N -1 0 336.351 2.567 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001607121897 1097524116 /nfs/dbraw/zinc/52/41/16/1097524116.db2.gz UJRGOAVLEIOBJA-WTKPLQERSA-N -1 0 343.310 2.754 20 30 EFEDRM COc1cc(CN(C)Cc2cccc(C(=O)[O-])c2C#N)cc(OC)c1 ZINC001607156347 1097546320 /nfs/dbraw/zinc/54/63/20/1097546320.db2.gz DZPKLOBUEWBWQP-UHFFFAOYSA-N -1 0 340.379 2.906 20 30 EFEDRM COc1cc(NC(=O)N2CCC(CC#N)CC2)c(C(=O)[O-])cc1OC ZINC001607177764 1097551863 /nfs/dbraw/zinc/55/18/63/1097551863.db2.gz WMBILRJCJZJKEA-UHFFFAOYSA-N -1 0 347.371 2.560 20 30 EFEDRM COc1cc(NC(=O)NCc2ccc(C#N)s2)ccc1C(=O)[O-] ZINC001607177881 1097552090 /nfs/dbraw/zinc/55/20/90/1097552090.db2.gz GEOORVFVJAFEML-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC=C(C(=O)[O-])C3)c2c1 ZINC001607184351 1097554393 /nfs/dbraw/zinc/55/43/93/1097554393.db2.gz JHVGBUHJSMPHNK-LBPRGKRZSA-N -1 0 339.351 2.709 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NCC(C)(C)C(=O)[O-])c2c1 ZINC001607184385 1097554769 /nfs/dbraw/zinc/55/47/69/1097554769.db2.gz KZRXPJFTYUSOGK-UHFFFAOYSA-N -1 0 329.356 2.646 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1Cn1cc(C#N)c2ccccc2c1=O ZINC001607217647 1097564052 /nfs/dbraw/zinc/56/40/52/1097564052.db2.gz QUCJKJARNHQVFG-UHFFFAOYSA-N -1 0 334.331 2.628 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC001607258573 1097576921 /nfs/dbraw/zinc/57/69/21/1097576921.db2.gz QRIUYMNVFKPQRB-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1C#N ZINC001607274227 1097581908 /nfs/dbraw/zinc/58/19/08/1097581908.db2.gz KKRGVIVFQHGLLD-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccccc1CC#N ZINC001607305578 1097591545 /nfs/dbraw/zinc/59/15/45/1097591545.db2.gz IPMFZWXIRVJNPI-UHFFFAOYSA-N -1 0 325.320 2.608 20 30 EFEDRM COc1cccc(C#CCOC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001607304326 1097592143 /nfs/dbraw/zinc/59/21/43/1097592143.db2.gz WXNAYURTYYVMSF-UHFFFAOYSA-N -1 0 338.359 2.921 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cc(C#N)ccc2C)c1 ZINC001607308004 1097593605 /nfs/dbraw/zinc/59/36/05/1097593605.db2.gz KVMGZKFQNAFRFD-KRWDZBQOSA-N -1 0 338.363 2.773 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(C#N)cc2C)c1 ZINC001607307540 1097593644 /nfs/dbraw/zinc/59/36/44/1097593644.db2.gz FNQBPVVIQQVDRM-KRWDZBQOSA-N -1 0 338.363 2.773 20 30 EFEDRM COc1ccnc(N=NCc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC001607350420 1097610558 /nfs/dbraw/zinc/61/05/58/1097610558.db2.gz ARTLNGKTMKBMBM-UHFFFAOYSA-N -1 0 338.323 2.889 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)[O-])C2CC2)c1C#N ZINC001607414506 1097624134 /nfs/dbraw/zinc/62/41/34/1097624134.db2.gz LLCPJLMHZBXSDG-ZDUSSCGKSA-N -1 0 332.381 2.573 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@]1(C)C(=O)[O-] ZINC001607470396 1097634437 /nfs/dbraw/zinc/63/44/37/1097634437.db2.gz IEPAFPNDHHMNKF-MOFZMDFASA-N -1 0 341.411 2.688 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001607484282 1097637485 /nfs/dbraw/zinc/63/74/85/1097637485.db2.gz GVUFEKKDVDDBND-UHFFFAOYSA-N -1 0 327.340 2.933 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)Sc2cccnc2C#N)c(C)c1C(=O)[O-] ZINC001607486791 1097638526 /nfs/dbraw/zinc/63/85/26/1097638526.db2.gz LLGBBGWPTCXJBK-SNVBAGLBSA-N -1 0 329.381 2.960 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC001607496347 1097643034 /nfs/dbraw/zinc/64/30/34/1097643034.db2.gz XTBLITJBSHNWEO-CQSZACIVSA-N -1 0 326.352 2.869 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607504723 1097644821 /nfs/dbraw/zinc/64/48/21/1097644821.db2.gz SUWHXONOZHXLFR-RDTXWAMCSA-N -1 0 327.384 2.975 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001607504673 1097644829 /nfs/dbraw/zinc/64/48/29/1097644829.db2.gz RXDYPYGBXSTGNS-HNNXBMFYSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001607504249 1097644943 /nfs/dbraw/zinc/64/49/43/1097644943.db2.gz IAQVEAUVPLGDHP-JTQLQIEISA-N -1 0 341.392 2.765 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001607504441 1097644963 /nfs/dbraw/zinc/64/49/63/1097644963.db2.gz MQIBUOLEWZUTKR-SFHVURJKSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001607564890 1097662568 /nfs/dbraw/zinc/66/25/68/1097662568.db2.gz XGDXNCDOGRWHNF-UHFFFAOYSA-N -1 0 349.390 2.790 20 30 EFEDRM Cc1cc(C(=O)N2c3ccccc3C[C@@H](C)[C@H]2C(=O)[O-])ncc1C#N ZINC001607573452 1097664507 /nfs/dbraw/zinc/66/45/07/1097664507.db2.gz MVPLGNNGZKLDFV-PXAZEXFGSA-N -1 0 335.363 2.554 20 30 EFEDRM Cc1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc(C)c1OCC(=O)[O-] ZINC001607581420 1097666309 /nfs/dbraw/zinc/66/63/09/1097666309.db2.gz MGQDDBXPHLAMDG-ZFWWWQNUSA-N -1 0 330.384 2.579 20 30 EFEDRM Cc1cc2c[nH]nc2c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001607605058 1097673017 /nfs/dbraw/zinc/67/30/17/1097673017.db2.gz VHKIXJQWTIXJQS-MRXNPFEDSA-N -1 0 335.319 2.726 20 30 EFEDRM Cc1cc(C(N)=NOCc2cccc(C(=O)[O-])c2C#N)ccc1F ZINC001607610266 1097675840 /nfs/dbraw/zinc/67/58/40/1097675840.db2.gz CZJCYFHJJBDSPQ-UHFFFAOYSA-N -1 0 327.315 2.541 20 30 EFEDRM Cc1cc(CN(CC#N)CCC(=O)[O-])ccc1Oc1cccnc1 ZINC001607636683 1097684180 /nfs/dbraw/zinc/68/41/80/1097684180.db2.gz ZNWIEHIVGGGFAR-UHFFFAOYSA-N -1 0 325.368 2.983 20 30 EFEDRM Cc1cc(CN2CCN(c3ccsc3C#N)CC2)ccc1C(=O)[O-] ZINC001607641899 1097686648 /nfs/dbraw/zinc/68/66/48/1097686648.db2.gz PONBNPVZLDUFSV-UHFFFAOYSA-N -1 0 341.436 2.949 20 30 EFEDRM Cc1cc(CNC(=O)Nc2nc(Cl)c(C#N)s2)oc1C(=O)[O-] ZINC001607643778 1097687487 /nfs/dbraw/zinc/68/74/87/1097687487.db2.gz KMRQNNIEBSXOIX-UHFFFAOYSA-N -1 0 340.748 2.590 20 30 EFEDRM Cc1cc(COC(=O)[C@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC001607651898 1097690371 /nfs/dbraw/zinc/69/03/71/1097690371.db2.gz DHWXIGQPYAUNNV-NSHDSACASA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607656352 1097691372 /nfs/dbraw/zinc/69/13/72/1097691372.db2.gz CNSOXXRHPARUJC-LBPRGKRZSA-N -1 0 349.818 2.666 20 30 EFEDRM Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ncc1C#N ZINC001607683639 1097697831 /nfs/dbraw/zinc/69/78/31/1097697831.db2.gz AHUFZTUADWFIKO-NSHDSACASA-N -1 0 330.369 2.661 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)N(CC#N)CCC(=O)[O-])ccc1C(C)C ZINC001607698608 1097702546 /nfs/dbraw/zinc/70/25/46/1097702546.db2.gz IRABCQLGHSFRHG-AWEZNQCLSA-N -1 0 332.400 2.713 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C=Cc1cc(C(=O)[O-])co1 ZINC001607712302 1097705922 /nfs/dbraw/zinc/70/59/22/1097705922.db2.gz KOEDXJXWTRTMFT-NSCUHMNNSA-N -1 0 336.307 2.686 20 30 EFEDRM Cc1ccc(-c2noc([C@H](C)N(CC#N)CCC(=O)[O-])n2)cc1F ZINC001607721044 1097709780 /nfs/dbraw/zinc/70/97/80/1097709780.db2.gz SXVQOYDDSFFJQE-NSHDSACASA-N -1 0 332.335 2.545 20 30 EFEDRM Cc1ccc(Br)c(N2CCC(C#N)(C(=O)[O-])CC2)c1C#N ZINC001607723022 1097709822 /nfs/dbraw/zinc/70/98/22/1097709822.db2.gz NLCFYMIIMKPTPZ-UHFFFAOYSA-N -1 0 348.200 2.824 20 30 EFEDRM Cc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1Oc1ccncc1 ZINC001607725713 1097710606 /nfs/dbraw/zinc/71/06/06/1097710606.db2.gz GLLPAZHAXRBUNX-UHFFFAOYSA-N -1 0 339.351 2.623 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OC[C@@H](O)COc1ccc(CC#N)cc1 ZINC001607745899 1097717919 /nfs/dbraw/zinc/71/79/19/1097717919.db2.gz NVRNPGYZLSVYRO-INIZCTEOSA-N -1 0 341.363 2.578 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])cc1 ZINC001607756798 1097722271 /nfs/dbraw/zinc/72/22/71/1097722271.db2.gz NNMDDMHNTIDASW-QGZVFWFLSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)NN=C2CCC(CC(=O)[O-])CC2)c1 ZINC001607764544 1097725050 /nfs/dbraw/zinc/72/50/50/1097725050.db2.gz FMZHONQCUWHWNM-UHFFFAOYSA-N -1 0 338.429 2.603 20 30 EFEDRM Cc1ccc(C)c(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001607764050 1097725092 /nfs/dbraw/zinc/72/50/92/1097725092.db2.gz IPLLBLMRBRNQFO-UHFFFAOYSA-N -1 0 339.347 2.996 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C#N ZINC001607782053 1097730903 /nfs/dbraw/zinc/73/09/03/1097730903.db2.gz BDAWNJDDLHZNED-UHFFFAOYSA-N -1 0 329.400 2.653 20 30 EFEDRM Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1C#N ZINC001607784083 1097732140 /nfs/dbraw/zinc/73/21/40/1097732140.db2.gz RJTYGEFWSKRPTQ-UHFFFAOYSA-N -1 0 347.374 2.905 20 30 EFEDRM Cc1ccc(CS[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1C#N ZINC001607786410 1097732738 /nfs/dbraw/zinc/73/27/38/1097732738.db2.gz UFGIALPBHCFNQM-OAHLLOKOSA-N -1 0 332.425 2.566 20 30 EFEDRM Cc1ccc(SCC(=O)NC2(C(=O)[O-])CCCCC2)c(C#N)c1 ZINC001607824082 1097743738 /nfs/dbraw/zinc/74/37/38/1097743738.db2.gz ZFYJICOGHXGPRL-UHFFFAOYSA-N -1 0 332.425 2.863 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1Cn1cc(C#N)c(=O)c2nc(C)ccc21 ZINC001607834201 1097747181 /nfs/dbraw/zinc/74/71/81/1097747181.db2.gz RVEGPCYTWPGPQG-UHFFFAOYSA-N -1 0 339.376 2.693 20 30 EFEDRM Cc1cccc(N(CC(=O)[O-])C(=O)Cc2c(C)cc(C#N)cc2C)n1 ZINC001607854707 1097755342 /nfs/dbraw/zinc/75/53/42/1097755342.db2.gz QMLUKCILUJUCNQ-UHFFFAOYSA-N -1 0 337.379 2.539 20 30 EFEDRM Cc1csc(CCC(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001607930284 1097780054 /nfs/dbraw/zinc/78/00/54/1097780054.db2.gz LJZHWHCBSCUANL-UHFFFAOYSA-N -1 0 330.365 2.697 20 30 EFEDRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607935598 1097782025 /nfs/dbraw/zinc/78/20/25/1097782025.db2.gz MMLCMQLKLFBWFT-BTDLBPIBSA-N -1 0 341.367 2.761 20 30 EFEDRM Cc1nc(C#N)cc(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC001607943891 1097784773 /nfs/dbraw/zinc/78/47/73/1097784773.db2.gz JGULUYUSSLXPOG-UHFFFAOYSA-N -1 0 334.129 2.910 20 30 EFEDRM Cc1nc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1C#N ZINC001607948942 1097785419 /nfs/dbraw/zinc/78/54/19/1097785419.db2.gz IEYMIHTYFCXCKC-OAHLLOKOSA-N -1 0 344.754 2.768 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC001608006519 1097802856 /nfs/dbraw/zinc/80/28/56/1097802856.db2.gz GRQGUDOHPNJPBO-UHFFFAOYSA-N -1 0 341.367 2.650 20 30 EFEDRM Cc1nsc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C#N ZINC001608030653 1097809770 /nfs/dbraw/zinc/80/97/70/1097809770.db2.gz VWNUBOHOYLSLPO-LRDDRELGSA-N -1 0 327.365 2.520 20 30 EFEDRM Cc1csc(=NCC(F)(F)F)n1N=Cc1cc(C(=O)[O-])c(C)o1 ZINC001608043673 1097814351 /nfs/dbraw/zinc/81/43/51/1097814351.db2.gz XYCRBAIUUQACTA-UHFFFAOYSA-N -1 0 347.318 2.803 20 30 EFEDRM Cc1oc(COC(=O)[C@H](C)Oc2ccccc2C#N)cc1C(=O)[O-] ZINC001608052049 1097818427 /nfs/dbraw/zinc/81/84/27/1097818427.db2.gz VZLBDWITVCDOES-NSHDSACASA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1oc(CNc2ncc(C#N)cc2Br)cc1C(=O)[O-] ZINC001608051927 1097818472 /nfs/dbraw/zinc/81/84/72/1097818472.db2.gz OJADYTPMLXWRMJ-UHFFFAOYSA-N -1 0 336.145 2.928 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC001608078841 1097826713 /nfs/dbraw/zinc/82/67/13/1097826713.db2.gz KSBAVPGOUROABZ-VIFPVBQESA-N -1 0 343.339 2.962 20 30 EFEDRM Cn1c(=O)ccc2ccc(NCc3cccc(C(=O)[O-])c3C#N)cc21 ZINC001608078205 1097826923 /nfs/dbraw/zinc/82/69/23/1097826923.db2.gz ZNFOQDNKWPFMOF-UHFFFAOYSA-N -1 0 333.347 2.720 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccccc1SCCC#N ZINC001608083925 1097828740 /nfs/dbraw/zinc/82/87/40/1097828740.db2.gz SAGDLCDMLWGYCS-UHFFFAOYSA-N -1 0 329.381 2.981 20 30 EFEDRM Cn1ccc(OCc2cc(C#N)ccc2Br)c1C(=O)[O-] ZINC001608127896 1097840746 /nfs/dbraw/zinc/84/07/46/1097840746.db2.gz NLTNSNKDEDIQEX-UHFFFAOYSA-N -1 0 335.157 2.936 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001608170551 1097849236 /nfs/dbraw/zinc/84/92/36/1097849236.db2.gz QSDSHYRUXDOTLW-ZFWWWQNUSA-N -1 0 328.393 2.763 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001608170549 1097849689 /nfs/dbraw/zinc/84/96/89/1097849689.db2.gz QSDSHYRUXDOTLW-HIFRSBDPSA-N -1 0 328.393 2.763 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001608172390 1097850380 /nfs/dbraw/zinc/85/03/80/1097850380.db2.gz ZIGRJEINESWICE-CQSZACIVSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC001608172753 1097850728 /nfs/dbraw/zinc/85/07/28/1097850728.db2.gz OLYJHCHNPKNHPJ-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#CC1(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CCOCC1 ZINC001608172283 1097850761 /nfs/dbraw/zinc/85/07/61/1097850761.db2.gz QZGGKXVRNUTKEV-UHFFFAOYSA-N -1 0 334.397 2.512 20 30 EFEDRM N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608173864 1097851110 /nfs/dbraw/zinc/85/11/10/1097851110.db2.gz NKMRUDXDMJSLEA-UKRRQHHQSA-N -1 0 345.790 2.531 20 30 EFEDRM N#CC1(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CCCCC1 ZINC001608172479 1097851123 /nfs/dbraw/zinc/85/11/23/1097851123.db2.gz WKNPHHIIKWZVOA-UHFFFAOYSA-N -1 0 327.384 2.747 20 30 EFEDRM N#C[C@H](COC(=O)C12CCC(C(=O)[O-])(CC1)C2)Cc1ccccc1 ZINC001608174332 1097851421 /nfs/dbraw/zinc/85/14/21/1097851421.db2.gz WSOYCTRVDGDMKN-VNCLNFNDSA-N -1 0 327.380 2.947 20 30 EFEDRM N#C[C@@]1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCCOC1 ZINC001608175679 1097851543 /nfs/dbraw/zinc/85/15/43/1097851543.db2.gz FUBWBWXCYYDTDD-YJBOKZPZSA-N -1 0 329.352 2.626 20 30 EFEDRM N#C[C@@]1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCCOC1 ZINC001608175678 1097851800 /nfs/dbraw/zinc/85/18/00/1097851800.db2.gz FUBWBWXCYYDTDD-QAPCUYQASA-N -1 0 329.352 2.626 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC(CC(=O)[O-])C1 ZINC001608174248 1097852142 /nfs/dbraw/zinc/85/21/42/1097852142.db2.gz WFRJLMFYIVBWAZ-KMZOKZLKSA-N -1 0 341.411 2.721 20 30 EFEDRM N#CC1(CC(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])CCCCC1 ZINC001608176356 1097852831 /nfs/dbraw/zinc/85/28/31/1097852831.db2.gz UZMZAZJIJQGGOY-KRWDZBQOSA-N -1 0 342.395 2.897 20 30 EFEDRM N#CC1CCC(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001608177885 1097853087 /nfs/dbraw/zinc/85/30/87/1097853087.db2.gz CRQSUCYOKCNNSH-KVULBXGLSA-N -1 0 341.411 2.710 20 30 EFEDRM N#CCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Br ZINC001608180290 1097853106 /nfs/dbraw/zinc/85/31/06/1097853106.db2.gz KXGBBAQLYOPQNZ-GFCCVEGCSA-N -1 0 326.146 2.812 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])c1ccccc1 ZINC001608178181 1097853155 /nfs/dbraw/zinc/85/31/55/1097853155.db2.gz LDEBLMYBPGBPNJ-CVYDXHPNSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CC1CCC(CNC(=O)NCCc2ccccc2C(=O)[O-])CC1 ZINC001608179007 1097853356 /nfs/dbraw/zinc/85/33/56/1097853356.db2.gz QUFIAPLBQBTHSY-UHFFFAOYSA-N -1 0 329.400 2.556 20 30 EFEDRM N#CCOc1cccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001608186973 1097854042 /nfs/dbraw/zinc/85/40/42/1097854042.db2.gz HQVZFJYTJMDACY-CQSZACIVSA-N -1 0 345.399 2.992 20 30 EFEDRM N#CCOc1cccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC001608186976 1097854404 /nfs/dbraw/zinc/85/44/04/1097854404.db2.gz HVEGWQQTVIAAKB-UHFFFAOYSA-N -1 0 349.346 2.950 20 30 EFEDRM N#CCOc1ccc(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001608188752 1097854774 /nfs/dbraw/zinc/85/47/74/1097854774.db2.gz LHGFYSKQWOLJBE-QGZVFWFLSA-N -1 0 344.411 2.529 20 30 EFEDRM N#CCc1ccccc1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608189480 1097855126 /nfs/dbraw/zinc/85/51/26/1097855126.db2.gz VJHUCQTXEQQRQR-FVRSWCFKSA-N -1 0 344.436 2.611 20 30 EFEDRM N#CCc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608189471 1097855170 /nfs/dbraw/zinc/85/51/70/1097855170.db2.gz VAUWRNZXJYMMKU-QZTJIDSGSA-N -1 0 334.375 2.693 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001608188177 1097855652 /nfs/dbraw/zinc/85/56/52/1097855652.db2.gz AIJYUOOASKFBGG-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CCSc1ccccc1C(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001608188671 1097855680 /nfs/dbraw/zinc/85/56/80/1097855680.db2.gz QZBICWAKWLZDLT-HBJVGIJOSA-N -1 0 331.393 2.958 20 30 EFEDRM N#Cc1c(CN2CCO[C@@H](c3cccs3)C2)cccc1C(=O)[O-] ZINC001608191614 1097855858 /nfs/dbraw/zinc/85/58/58/1097855858.db2.gz YEMKAIRUPDMZAI-OAHLLOKOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1c(Cl)nsc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001608191868 1097856048 /nfs/dbraw/zinc/85/60/48/1097856048.db2.gz GEXKIFSFLBBDGR-RITPCOANSA-N -1 0 339.726 2.758 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001608192038 1097856256 /nfs/dbraw/zinc/85/62/56/1097856256.db2.gz HCIWFNPVCZCWQP-UHFFFAOYSA-N -1 0 335.772 2.765 20 30 EFEDRM N#Cc1c(COC(=O)COc2ccccc2F)cccc1C(=O)[O-] ZINC001608191437 1097856370 /nfs/dbraw/zinc/85/63/70/1097856370.db2.gz VHVDRKCTDUWKOH-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(=O)[nH]c3ccccc32)cccc1C(=O)[O-] ZINC001608191278 1097856506 /nfs/dbraw/zinc/85/65/06/1097856506.db2.gz RMUADSDRCQLNMX-UHFFFAOYSA-N -1 0 348.314 2.867 20 30 EFEDRM N#Cc1c(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cccc1C(=O)[O-] ZINC001608191497 1097856543 /nfs/dbraw/zinc/85/65/43/1097856543.db2.gz WPNYCODTHXBQMT-LAUBAEHRSA-N -1 0 348.402 2.656 20 30 EFEDRM N#CCc1ccccc1CC(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001608189539 1097856614 /nfs/dbraw/zinc/85/66/14/1097856614.db2.gz YIUMHMNAJQDPCO-UHFFFAOYSA-N -1 0 326.327 2.552 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1F ZINC001608192717 1097857286 /nfs/dbraw/zinc/85/72/86/1097857286.db2.gz ZBVBXMFQUXXBOP-PIGZYNQJSA-N -1 0 334.322 2.553 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001608194367 1097857301 /nfs/dbraw/zinc/85/73/01/1097857301.db2.gz OFPUDGWHZCGPHE-UHFFFAOYSA-N -1 0 328.299 2.672 20 30 EFEDRM N#Cc1c(N)c(NC(=O)CCc2ccccc2C(=O)[O-])ccc1F ZINC001608192483 1097857338 /nfs/dbraw/zinc/85/73/38/1097857338.db2.gz QPHRBSKAYLGART-UHFFFAOYSA-N -1 0 327.315 2.549 20 30 EFEDRM N#Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])ccc1Cl ZINC001608194042 1097857429 /nfs/dbraw/zinc/85/74/29/1097857429.db2.gz NWTWLDDXYJRUAR-UHFFFAOYSA-N -1 0 342.782 2.981 20 30 EFEDRM N#Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1Cl ZINC001608194298 1097857461 /nfs/dbraw/zinc/85/74/61/1097857461.db2.gz TYGDQECCOBPNID-CYBMUJFWSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001608195524 1097857520 /nfs/dbraw/zinc/85/75/20/1097857520.db2.gz RHUBVXNYIHTDSS-LBPRGKRZSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001608192197 1097857528 /nfs/dbraw/zinc/85/75/28/1097857528.db2.gz WJSKOEHECJPIOC-UHFFFAOYSA-N -1 0 331.331 2.894 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)co1 ZINC001608194196 1097857959 /nfs/dbraw/zinc/85/79/59/1097857959.db2.gz RULPBSFVYUJUFN-LBPRGKRZSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1cc(Br)cc(COC(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001608195304 1097857994 /nfs/dbraw/zinc/85/79/94/1097857994.db2.gz NHDPGOJLSPWXOL-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1c(N)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1F ZINC001608192667 1097858011 /nfs/dbraw/zinc/85/80/11/1097858011.db2.gz WFNYYLBWHVJJIJ-UHFFFAOYSA-N -1 0 327.315 2.549 20 30 EFEDRM N#Cc1cc(Cn2cc(CC3(C(=O)[O-])CCCCC3)nn2)ccc1F ZINC001608196793 1097858326 /nfs/dbraw/zinc/85/83/26/1097858326.db2.gz GJZLUQBGROWTOT-UHFFFAOYSA-N -1 0 342.374 2.915 20 30 EFEDRM N#Cc1cc(F)c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(F)c1 ZINC001608196795 1097858374 /nfs/dbraw/zinc/85/83/74/1097858374.db2.gz GLRWTRGYACQMJZ-BDAKNGLRSA-N -1 0 334.244 2.926 20 30 EFEDRM N#Cc1cc(NC[C@H]2[C@H](C(=O)[O-])C2(F)F)ccc1OC(F)(F)F ZINC001608197586 1097858626 /nfs/dbraw/zinc/85/86/26/1097858626.db2.gz HHKRMQHJWMZTFL-WCBMZHEXSA-N -1 0 336.216 2.835 20 30 EFEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1Cl ZINC001608198841 1097859347 /nfs/dbraw/zinc/85/93/47/1097859347.db2.gz FHZMGLGVEWCHPR-UHFFFAOYSA-N -1 0 343.770 2.724 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCOc3cccc(F)c3C2)cc1 ZINC001608199549 1097859907 /nfs/dbraw/zinc/85/99/07/1097859907.db2.gz MSNSOPISISMSHE-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001608198644 1097860258 /nfs/dbraw/zinc/86/02/58/1097860258.db2.gz SJEJNOIHQUVOOL-UHFFFAOYSA-N -1 0 342.311 2.537 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(CCc2ccccc2C(=O)[O-])c1=O ZINC001608202536 1097860396 /nfs/dbraw/zinc/86/03/96/1097860396.db2.gz RSLHVCIUXNQCPF-UHFFFAOYSA-N -1 0 336.269 2.680 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(F)c1 ZINC001608200892 1097860811 /nfs/dbraw/zinc/86/08/11/1097860811.db2.gz SQZVLMGLHYVUCG-JKGQDXBKSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCC3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC001608203257 1097861307 /nfs/dbraw/zinc/86/13/07/1097861307.db2.gz CPBRBSUGUBODCL-UHFFFAOYSA-N -1 0 326.396 2.741 20 30 EFEDRM N#Cc1ccc(CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC001608204624 1097861556 /nfs/dbraw/zinc/86/15/56/1097861556.db2.gz MAEAKAWNQDZQNB-CVEARBPZSA-N -1 0 341.411 2.876 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1Cl ZINC001608204758 1097861565 /nfs/dbraw/zinc/86/15/65/1097861565.db2.gz KURBJYYXNOJSBK-GUYCJALGSA-N -1 0 347.802 2.608 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC001608204102 1097862022 /nfs/dbraw/zinc/86/20/22/1097862022.db2.gz RXNWEEUWRFYWEL-ZDUSSCGKSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC001608203496 1097862032 /nfs/dbraw/zinc/86/20/32/1097862032.db2.gz BBXLRVWHLZQCPO-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001608204421 1097862391 /nfs/dbraw/zinc/86/23/91/1097862391.db2.gz BGRPSZGFGCVPTE-CYBMUJFWSA-N -1 0 335.791 2.512 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)c(F)cc2N)C(=O)[O-])cc1 ZINC001608203320 1097862406 /nfs/dbraw/zinc/86/24/06/1097862406.db2.gz GQYKARDWCCSPQY-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1ccc(CNCc2oc(Br)cc2C(=O)[O-])s1 ZINC001608207434 1097862872 /nfs/dbraw/zinc/86/28/72/1097862872.db2.gz IJVCUGZEQBTCPB-UHFFFAOYSA-N -1 0 341.186 2.963 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC001608207574 1097862889 /nfs/dbraw/zinc/86/28/89/1097862889.db2.gz MXIRZWFYKQGHPG-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001608206245 1097862937 /nfs/dbraw/zinc/86/29/37/1097862937.db2.gz DJHBTQPXHRIHIA-SJKOYZFVSA-N -1 0 331.347 2.806 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001608206037 1097862975 /nfs/dbraw/zinc/86/29/75/1097862975.db2.gz ANABRBXQAOLSMD-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001608207255 1097863091 /nfs/dbraw/zinc/86/30/91/1097863091.db2.gz XISYJLMSIRNGID-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001608207315 1097863177 /nfs/dbraw/zinc/86/31/77/1097863177.db2.gz YXGHVMGMQDZIBY-HNNXBMFYSA-N -1 0 330.290 2.782 20 30 EFEDRM N#Cc1ccc(F)cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001608207773 1097863364 /nfs/dbraw/zinc/86/33/64/1097863364.db2.gz VCLDXCABQRPXAL-GFCCVEGCSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001608205747 1097863385 /nfs/dbraw/zinc/86/33/85/1097863385.db2.gz MDOIPSUSWRKYAP-AWEZNQCLSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC001608208459 1097863673 /nfs/dbraw/zinc/86/36/73/1097863673.db2.gz ZQDNJQSKMRHZHS-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NC(C2CCC2)C2CCC2)c(C(=O)[O-])c1 ZINC001608210331 1097864030 /nfs/dbraw/zinc/86/40/30/1097864030.db2.gz HFKDZGVYFDFTEB-UHFFFAOYSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001608208228 1097864341 /nfs/dbraw/zinc/86/43/41/1097864341.db2.gz LAPMBXXDELMXAU-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)c2cscc2C(=O)[O-])cc1 ZINC001608210647 1097864414 /nfs/dbraw/zinc/86/44/14/1097864414.db2.gz UMINSEWEELXSPH-UHFFFAOYSA-N -1 0 331.349 2.944 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccn3)on2)c1 ZINC001608213940 1097864969 /nfs/dbraw/zinc/86/49/69/1097864969.db2.gz AUPDOFAMFPEBMC-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001608212800 1097865000 /nfs/dbraw/zinc/86/50/00/1097865000.db2.gz BDASGHFBPDRCPS-UHFFFAOYSA-N -1 0 332.425 2.802 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001608213487 1097865463 /nfs/dbraw/zinc/86/54/63/1097865463.db2.gz NMQKFDVARBJPSV-GOSISDBHSA-N -1 0 347.374 2.969 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NCC3(CC(=O)[O-])CCCC3)CC2)c1 ZINC001608216453 1097866311 /nfs/dbraw/zinc/86/63/11/1097866311.db2.gz KAYLVTDYAZNLDF-UHFFFAOYSA-N -1 0 326.396 2.741 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H](O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216442 1097866350 /nfs/dbraw/zinc/86/63/50/1097866350.db2.gz JWJGWMZCYVZXOZ-LSDHHAIUSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC001608214868 1097866365 /nfs/dbraw/zinc/86/63/65/1097866365.db2.gz IBYWPKAIXNNXGH-UHFFFAOYSA-N -1 0 328.755 2.939 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC001608218342 1097867011 /nfs/dbraw/zinc/86/70/11/1097867011.db2.gz MKAONHMDIJGEFD-UHFFFAOYSA-N -1 0 330.384 2.621 20 30 EFEDRM N#Cc1cccc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC001608218338 1097867265 /nfs/dbraw/zinc/86/72/65/1097867265.db2.gz MHOXQIPIJLHPAU-ZDUSSCGKSA-N -1 0 343.314 2.961 20 30 EFEDRM N#Cc1cccc(N2CCOc3c(cccc3C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001608217287 1097867419 /nfs/dbraw/zinc/86/74/19/1097867419.db2.gz WUEHDBKYMAQGJH-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1cccc(OCC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001608218019 1097867460 /nfs/dbraw/zinc/86/74/60/1097867460.db2.gz BZCZEUULANITOB-KRWDZBQOSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CCOc3ccccc32)C(=O)[O-])c1 ZINC001608216799 1097867568 /nfs/dbraw/zinc/86/75/68/1097867568.db2.gz VQFPJPXSSDFVHR-RDJZCZTQSA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1cccc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001608217246 1097867715 /nfs/dbraw/zinc/86/77/15/1097867715.db2.gz UAUHUOKGQXQAEK-GOSISDBHSA-N -1 0 337.335 2.699 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)NOCCCC(=O)[O-] ZINC001608219363 1097868251 /nfs/dbraw/zinc/86/82/51/1097868251.db2.gz SDYBSRKDOXCULB-UHFFFAOYSA-N -1 0 340.335 2.877 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001608220815 1097868309 /nfs/dbraw/zinc/86/83/09/1097868309.db2.gz MHBJRTNSVFIIPP-UHFFFAOYSA-N -1 0 344.348 2.732 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001608218453 1097868357 /nfs/dbraw/zinc/86/83/57/1097868357.db2.gz OQOFQNIMRWWZAR-GBESFXJTSA-N -1 0 348.402 2.721 20 30 EFEDRM N#Cc1ccccc1N1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001608220273 1097868364 /nfs/dbraw/zinc/86/83/64/1097868364.db2.gz SGCUAYGOUCMERP-UHFFFAOYSA-N -1 0 342.786 2.631 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608219790 1097868427 /nfs/dbraw/zinc/86/84/27/1097868427.db2.gz AXQMCCWRVULSLR-VMPITWQZSA-N -1 0 338.275 2.783 20 30 EFEDRM N#Cc1ccccc1CSCCNc1ccc(C(=O)[O-])nc1C#N ZINC001608220039 1097868692 /nfs/dbraw/zinc/86/86/92/1097868692.db2.gz MNSTYZREGQPBEE-UHFFFAOYSA-N -1 0 338.392 2.868 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608220651 1097868741 /nfs/dbraw/zinc/86/87/41/1097868741.db2.gz GUVXTJHFQMFCBP-CGQZWFTASA-N -1 0 338.338 2.695 20 30 EFEDRM N#Cc1cccc2c1CCCN2CC(=O)Nc1ccccc1C(=O)[O-] ZINC001608221653 1097869095 /nfs/dbraw/zinc/86/90/95/1097869095.db2.gz ZJNQQCDYHREXQU-UHFFFAOYSA-N -1 0 335.363 2.648 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1COC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001608220891 1097869243 /nfs/dbraw/zinc/86/92/43/1097869243.db2.gz LGMQBPYASPTITA-UHFFFAOYSA-N -1 0 344.323 2.545 20 30 EFEDRM N#Cc1cnc(NCc2ccccc2CC(=O)[O-])c(Br)c1 ZINC001608222921 1097869312 /nfs/dbraw/zinc/86/93/12/1097869312.db2.gz NKFAPFGYJOUVSS-UHFFFAOYSA-N -1 0 346.184 2.955 20 30 EFEDRM N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001608222789 1097869493 /nfs/dbraw/zinc/86/94/93/1097869493.db2.gz LCWUEFNSWWNURH-UHFFFAOYSA-N -1 0 340.770 2.955 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001608221865 1097869852 /nfs/dbraw/zinc/86/98/52/1097869852.db2.gz XBUHBELELMXJLJ-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001608223520 1097869948 /nfs/dbraw/zinc/86/99/48/1097869948.db2.gz XORLEUBLCLVWKP-HNNXBMFYSA-N -1 0 327.771 2.791 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001608221143 1097869994 /nfs/dbraw/zinc/86/99/94/1097869994.db2.gz UKOSESYKLJLVOT-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001608224752 1097870300 /nfs/dbraw/zinc/87/03/00/1097870300.db2.gz AYOZKORKLKNVCL-UHFFFAOYSA-N -1 0 348.337 2.901 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCS[C@@H](c2ccccc2)C1 ZINC001608224133 1097870834 /nfs/dbraw/zinc/87/08/34/1097870834.db2.gz PQJYQZSUNCXZQA-MRXNPFEDSA-N -1 0 325.393 2.946 20 30 EFEDRM NC(=NOCc1csc(C2CCCC2)n1)c1cc(C(=O)[O-])co1 ZINC001608226680 1097870950 /nfs/dbraw/zinc/87/09/50/1097870950.db2.gz COMLMQPZPGUMQG-UHFFFAOYSA-N -1 0 335.385 2.929 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCc1nc(C(F)(F)F)cs1 ZINC001608223935 1097871102 /nfs/dbraw/zinc/87/11/02/1097871102.db2.gz HYZQQKLUZGCDBL-UHFFFAOYSA-N -1 0 342.302 2.781 20 30 EFEDRM O=C(C#Cc1ccccc1)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001608277558 1097879047 /nfs/dbraw/zinc/87/90/47/1097879047.db2.gz MJWSCPCURYAPTF-QGZVFWFLSA-N -1 0 333.343 2.596 20 30 EFEDRM O=C([O-])[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)C#CC1CC1 ZINC001608277865 1097879642 /nfs/dbraw/zinc/87/96/42/1097879642.db2.gz UZAMGGHLADIPMD-CYBMUJFWSA-N -1 0 326.270 2.658 20 30 EFEDRM O=C([O-])[C@@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)c2ccccc21 ZINC001608283288 1097880324 /nfs/dbraw/zinc/88/03/24/1097880324.db2.gz AXVNCPVNHBJAIN-JOZWUWCOSA-N -1 0 339.322 2.623 20 30 EFEDRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C#CC1CC1 ZINC001608747018 1098010397 /nfs/dbraw/zinc/01/03/97/1098010397.db2.gz AEZNKTNLPDVNNK-UHFFFAOYSA-N -1 0 325.286 2.532 20 30 EFEDRM O=C([O-])c1ccc(C=NOC[C@@H]2CCOC2)c(Br)c1 ZINC001608879493 1098055205 /nfs/dbraw/zinc/05/52/05/1098055205.db2.gz KGEQFBMOGTYOCP-SECBINFHSA-N -1 0 328.162 2.534 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001608879507 1098055218 /nfs/dbraw/zinc/05/52/18/1098055218.db2.gz KSHHSMPXQIWSBU-RDJZCZTQSA-N -1 0 344.411 2.917 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001608879506 1098055873 /nfs/dbraw/zinc/05/58/73/1098055873.db2.gz KSHHSMPXQIWSBU-NVXWUHKLSA-N -1 0 344.411 2.917 20 30 EFEDRM C#C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001609055263 1098124552 /nfs/dbraw/zinc/12/45/52/1098124552.db2.gz ZLDFPZJQVHOYAV-QGZVFWFLSA-N -1 0 325.339 2.947 20 30 EFEDRM C#C[C@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC001609057889 1098124607 /nfs/dbraw/zinc/12/46/07/1098124607.db2.gz IQSFAGSYDYFDEF-WMZOPIPTSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001609058184 1098124734 /nfs/dbraw/zinc/12/47/34/1098124734.db2.gz RHALDVKFGWANRB-AWEZNQCLSA-N -1 0 332.718 2.677 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cccc(O)c1 ZINC001609061215 1098125632 /nfs/dbraw/zinc/12/56/32/1098125632.db2.gz MRDNAEANBHIYQH-UHFFFAOYSA-N -1 0 341.375 2.694 20 30 EFEDRM C=CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[nH]n2)c1 ZINC001609058867 1098125997 /nfs/dbraw/zinc/12/59/97/1098125997.db2.gz AGMXJERDHGWLOK-SOFGYWHQSA-N -1 0 349.350 2.695 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(C)c(C)cc2C)o1 ZINC001609061614 1098127131 /nfs/dbraw/zinc/12/71/31/1098127131.db2.gz NDOIPBANJHUOIJ-UHFFFAOYSA-N -1 0 325.376 2.924 20 30 EFEDRM CC(C)(C#N)c1ccccc1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001609072683 1098130389 /nfs/dbraw/zinc/13/03/89/1098130389.db2.gz ANLTVPNRGDZVIM-UHFFFAOYSA-N -1 0 338.346 2.781 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001609076553 1098133797 /nfs/dbraw/zinc/13/37/97/1098133797.db2.gz PVYQUPIEAYCLMA-OAHLLOKOSA-N -1 0 325.364 2.580 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001609076498 1098134080 /nfs/dbraw/zinc/13/40/80/1098134080.db2.gz OEHVTWFGIJCVSA-AWEZNQCLSA-N -1 0 337.297 2.767 20 30 EFEDRM C#CC[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001609078787 1098134382 /nfs/dbraw/zinc/13/43/82/1098134382.db2.gz ICFHRXQIYZNXFY-CYBMUJFWSA-N -1 0 346.770 2.520 20 30 EFEDRM C#CCC1(C(=O)OCC(=O)Nc2ccccc2C(=O)[O-])CCCCC1 ZINC001609105135 1098146314 /nfs/dbraw/zinc/14/63/14/1098146314.db2.gz KYAQZPQDBOHWJD-UHFFFAOYSA-N -1 0 343.379 2.840 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001609137173 1098163734 /nfs/dbraw/zinc/16/37/34/1098163734.db2.gz CAPVAGQFCOYPIS-UHFFFAOYSA-N -1 0 329.396 2.854 20 30 EFEDRM C#CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001609152756 1098171529 /nfs/dbraw/zinc/17/15/29/1098171529.db2.gz FMKJBYWEIOGNEH-LJQANCHMSA-N -1 0 348.402 2.946 20 30 EFEDRM C#CCN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001609153120 1098171683 /nfs/dbraw/zinc/17/16/83/1098171683.db2.gz ZTPAHMPZCOISIG-UHFFFAOYSA-N -1 0 340.354 2.598 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001609167755 1098181445 /nfs/dbraw/zinc/18/14/45/1098181445.db2.gz ZHMLFZZBFARCSC-IBGZPJMESA-N -1 0 341.338 2.568 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001609167700 1098181667 /nfs/dbraw/zinc/18/16/67/1098181667.db2.gz UFHAFCFDHRSTEG-UHFFFAOYSA-N -1 0 325.320 2.658 20 30 EFEDRM C#CCOc1cccc(Oc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001609174805 1098183318 /nfs/dbraw/zinc/18/33/18/1098183318.db2.gz LKZNSACFZWMFKO-UHFFFAOYSA-N -1 0 328.280 2.801 20 30 EFEDRM CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001609180806 1098184150 /nfs/dbraw/zinc/18/41/50/1098184150.db2.gz MADLYXMOVPVKQO-UHFFFAOYSA-N -1 0 336.355 2.791 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)nc1 ZINC001609183812 1098186190 /nfs/dbraw/zinc/18/61/90/1098186190.db2.gz XGUSRJKKFVQAIO-UHFFFAOYSA-N -1 0 348.402 2.856 20 30 EFEDRM CC[C@@H](C)[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)OC ZINC001609185519 1098188194 /nfs/dbraw/zinc/18/81/94/1098188194.db2.gz JCHTZZJDNIYUQI-ZJUUUORDSA-N -1 0 335.412 2.611 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)c1 ZINC001609189960 1098189957 /nfs/dbraw/zinc/18/99/57/1098189957.db2.gz NNFNXZDQZHMZAL-MRXNPFEDSA-N -1 0 340.404 2.731 20 30 EFEDRM C=C(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001609226625 1098212878 /nfs/dbraw/zinc/21/28/78/1098212878.db2.gz UAMQLKGSWOJSED-UHFFFAOYSA-N -1 0 338.385 2.858 20 30 EFEDRM C=C(C)CS(=O)(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001609257693 1098228733 /nfs/dbraw/zinc/22/87/33/1098228733.db2.gz MIMMXIHUIHNINK-UHFFFAOYSA-N -1 0 325.411 2.595 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001609257491 1098229405 /nfs/dbraw/zinc/22/94/05/1098229405.db2.gz HNHVHAZMPUAGJZ-SFHVURJKSA-N -1 0 344.390 2.961 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001609267475 1098232232 /nfs/dbraw/zinc/23/22/32/1098232232.db2.gz WCZHFRKSMLLCOB-QFBILLFUSA-N -1 0 327.380 2.799 20 30 EFEDRM C=CC1CCN(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CC1 ZINC001609287050 1098238117 /nfs/dbraw/zinc/23/81/17/1098238117.db2.gz CLFJEQLPHRWWGT-LLVKDONJSA-N -1 0 335.429 2.763 20 30 EFEDRM C=CC1CCN(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CC1 ZINC001609287051 1098239082 /nfs/dbraw/zinc/23/90/82/1098239082.db2.gz CLFJEQLPHRWWGT-NSHDSACASA-N -1 0 335.429 2.763 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001609290366 1098239454 /nfs/dbraw/zinc/23/94/54/1098239454.db2.gz DHILJWVCGGOMPY-SNVBAGLBSA-N -1 0 334.397 2.906 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1c(C)cc(C(=O)[O-])cc1Cl ZINC001609290386 1098239767 /nfs/dbraw/zinc/23/97/67/1098239767.db2.gz FJFYGRLXPMKKGD-NSHDSACASA-N -1 0 338.791 2.756 20 30 EFEDRM C=C[C@H](Sc1n[nH]c(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001609287410 1098239881 /nfs/dbraw/zinc/23/98/81/1098239881.db2.gz PIMZOHKQKZETSZ-JTQLQIEISA-N -1 0 325.777 2.768 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609320455 1098246692 /nfs/dbraw/zinc/24/66/92/1098246692.db2.gz LSYIPWNPUDAQLB-INIZCTEOSA-N -1 0 341.411 2.574 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC001609324893 1098248341 /nfs/dbraw/zinc/24/83/41/1098248341.db2.gz UVVAWTOKVVZTQB-LBPRGKRZSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001609340998 1098254312 /nfs/dbraw/zinc/25/43/12/1098254312.db2.gz PABNAFWHLFWTLC-UHFFFAOYSA-N -1 0 328.368 2.873 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001609340996 1098255784 /nfs/dbraw/zinc/25/57/84/1098255784.db2.gz OXVAAQGZVJEAJG-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM C=CCN(CCOC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001609371810 1098271097 /nfs/dbraw/zinc/27/10/97/1098271097.db2.gz WVWLNQXTXVSIRC-OAHLLOKOSA-N -1 0 334.416 2.683 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001609373749 1098273316 /nfs/dbraw/zinc/27/33/16/1098273316.db2.gz OMMOQELPYRKKII-UHFFFAOYSA-N -1 0 331.397 2.990 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001609407118 1098294968 /nfs/dbraw/zinc/29/49/68/1098294968.db2.gz JQJJMBVLYDGVKM-UHFFFAOYSA-N -1 0 328.372 2.643 20 30 EFEDRM Cc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cc1 ZINC001609421955 1098306574 /nfs/dbraw/zinc/30/65/74/1098306574.db2.gz CYJMITLHNSNUGC-UHFFFAOYSA-N -1 0 325.376 2.808 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001609464017 1098338248 /nfs/dbraw/zinc/33/82/48/1098338248.db2.gz HGFHAVKIAWTNMY-UHFFFAOYSA-N -1 0 333.365 2.584 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC001609485033 1098352624 /nfs/dbraw/zinc/35/26/24/1098352624.db2.gz CDDJGYUEIZJDAS-LLVKDONJSA-N -1 0 331.397 2.574 20 30 EFEDRM CC#CCCNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001609488801 1098353703 /nfs/dbraw/zinc/35/37/03/1098353703.db2.gz MGJGVKVIAPWUKA-UHFFFAOYSA-N -1 0 343.152 2.821 20 30 EFEDRM C/C(=C\COC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001609542889 1098375312 /nfs/dbraw/zinc/37/53/12/1098375312.db2.gz DAKWSXFACQZAHD-MDWZMJQESA-N -1 0 339.351 2.651 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC001609567792 1098382730 /nfs/dbraw/zinc/38/27/30/1098382730.db2.gz IODMXZDPVQTPNV-CQSZACIVSA-N -1 0 348.786 2.744 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609631052 1098409936 /nfs/dbraw/zinc/40/99/36/1098409936.db2.gz NLZZYKMBEPVNGG-FQEVSTJZSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001609630911 1098410039 /nfs/dbraw/zinc/41/00/39/1098410039.db2.gz JBLVSOHZFAYDSE-JTQLQIEISA-N -1 0 344.396 2.718 20 30 EFEDRM C[C@H](C#N)CN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CC1 ZINC001609631127 1098410105 /nfs/dbraw/zinc/41/01/05/1098410105.db2.gz PPYJZLTUOGVHQF-LLVKDONJSA-N -1 0 330.388 2.607 20 30 EFEDRM C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001609631569 1098410353 /nfs/dbraw/zinc/41/03/53/1098410353.db2.gz IAZCQRPTSXAEBL-WDEREUQCSA-N -1 0 331.397 2.983 20 30 EFEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC001609643085 1098413940 /nfs/dbraw/zinc/41/39/40/1098413940.db2.gz JEGVCKJNCISORX-ZDUSSCGKSA-N -1 0 338.363 2.958 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)c2cc(C(=O)[O-])on2)cc1C#N ZINC001609669249 1098421149 /nfs/dbraw/zinc/42/11/49/1098421149.db2.gz ZUOMUASYBVDIOF-UHFFFAOYSA-N -1 0 329.312 2.674 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001609687725 1098428162 /nfs/dbraw/zinc/42/81/62/1098428162.db2.gz SFZSRLAVZNVISD-ZDUSSCGKSA-N -1 0 345.380 2.755 20 30 EFEDRM CC(C)CN(C(=O)CCc1ocnc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001609696883 1098430211 /nfs/dbraw/zinc/43/02/11/1098430211.db2.gz BRXXXVAONJSDID-UHFFFAOYSA-N -1 0 341.367 2.866 20 30 EFEDRM CC(C)c1sc(NC(=O)COc2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001609723246 1098437961 /nfs/dbraw/zinc/43/79/61/1098437961.db2.gz MJXPOCNGARWEBT-UHFFFAOYSA-N -1 0 345.380 2.854 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC001609733900 1098441473 /nfs/dbraw/zinc/44/14/73/1098441473.db2.gz KXMBFMSSMSNDSM-VIFPVBQESA-N -1 0 327.283 2.704 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)COc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001609755785 1098447743 /nfs/dbraw/zinc/44/77/43/1098447743.db2.gz DCFZQICLXXVGBO-ZDUSSCGKSA-N -1 0 338.363 2.839 20 30 EFEDRM C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001609761126 1098449428 /nfs/dbraw/zinc/44/94/28/1098449428.db2.gz AHOAZNDRIKPPLD-JTQLQIEISA-N -1 0 344.396 2.616 20 30 EFEDRM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001609763161 1098449491 /nfs/dbraw/zinc/44/94/91/1098449491.db2.gz IRXWBFCJWCSXMR-SECBINFHSA-N -1 0 347.421 2.682 20 30 EFEDRM C[C@@](NC(=O)c1cccc(CC#N)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609773272 1098452724 /nfs/dbraw/zinc/45/27/24/1098452724.db2.gz SJHIHNVFMHAKGG-SFHVURJKSA-N -1 0 326.327 2.622 20 30 EFEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc([S@@](C)=O)cc1 ZINC001609779698 1098455588 /nfs/dbraw/zinc/45/55/88/1098455588.db2.gz CUDIVZHETBCFCO-OIRASMEMSA-N -1 0 342.420 2.845 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001609807808 1098463783 /nfs/dbraw/zinc/46/37/83/1098463783.db2.gz SSIQBNIDILQXLN-ZDUSSCGKSA-N -1 0 329.400 2.906 20 30 EFEDRM CC[C@H](O)CNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001609933863 1098498591 /nfs/dbraw/zinc/49/85/91/1098498591.db2.gz BFFOQZWOTUXUDN-KRWDZBQOSA-N -1 0 342.395 2.658 20 30 EFEDRM CCCc1cc(=O)[nH]c(SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001609984986 1098513920 /nfs/dbraw/zinc/51/39/20/1098513920.db2.gz FEXMTANSQCBERY-UHFFFAOYSA-N -1 0 329.381 2.997 20 30 EFEDRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)o1 ZINC001609986634 1098514516 /nfs/dbraw/zinc/51/45/16/1098514516.db2.gz SMOXBTZKWZXHJP-OAHLLOKOSA-N -1 0 328.324 2.790 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1CC#N ZINC001610006525 1098520653 /nfs/dbraw/zinc/52/06/53/1098520653.db2.gz WGMADWMVBDZCFJ-UHFFFAOYSA-N -1 0 344.392 2.666 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1nc(Cl)c(C#N)s1 ZINC001610034317 1098525808 /nfs/dbraw/zinc/52/58/08/1098525808.db2.gz WDVASKSCXHVBKZ-SECBINFHSA-N -1 0 331.825 2.622 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001610040877 1098527518 /nfs/dbraw/zinc/52/75/18/1098527518.db2.gz NZAPSUYSDGYEMM-QGZVFWFLSA-N -1 0 331.372 2.676 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001610060169 1098534971 /nfs/dbraw/zinc/53/49/71/1098534971.db2.gz FLMLTIVAWBEMCV-FQEVSTJZSA-N -1 0 336.391 2.502 20 30 EFEDRM CCc1cc(=O)[nH]c(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001610060623 1098534993 /nfs/dbraw/zinc/53/49/93/1098534993.db2.gz VOYOHZFWUGFRHL-UHFFFAOYSA-N -1 0 329.381 2.748 20 30 EFEDRM CCc1cccc2c1NC(=O)C2=NNc1cccc(F)c1C(=O)[O-] ZINC001610067919 1098537446 /nfs/dbraw/zinc/53/74/46/1098537446.db2.gz QOPGBZGEUGVQLB-UHFFFAOYSA-N -1 0 327.315 2.855 20 30 EFEDRM CCc1oc(CN=Nc2ccc(C(F)(F)F)nn2)cc1C(=O)[O-] ZINC001610080123 1098542550 /nfs/dbraw/zinc/54/25/50/1098542550.db2.gz OUSUNXAGLCHLEW-UHFFFAOYSA-N -1 0 328.250 2.795 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610083612 1098543527 /nfs/dbraw/zinc/54/35/27/1098543527.db2.gz JXOHVUWQUJTRDZ-MRXNPFEDSA-N -1 0 341.367 2.881 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610083600 1098543821 /nfs/dbraw/zinc/54/38/21/1098543821.db2.gz JXOHVUWQUJTRDZ-INIZCTEOSA-N -1 0 341.367 2.881 20 30 EFEDRM CN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(C#N)cc1F ZINC001610087915 1098544241 /nfs/dbraw/zinc/54/42/41/1098544241.db2.gz BAVMFELQEDSEBV-UHFFFAOYSA-N -1 0 326.327 2.991 20 30 EFEDRM CN(C)C(=O)Sc1cccc(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001610098345 1098546892 /nfs/dbraw/zinc/54/68/92/1098546892.db2.gz ZCRMWNKMZOLHHU-UHFFFAOYSA-N -1 0 347.440 2.651 20 30 EFEDRM CN(C(C)(C)C#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001610097598 1098547102 /nfs/dbraw/zinc/54/71/02/1098547102.db2.gz RMYFMLAJTVOLFL-UHFFFAOYSA-N -1 0 338.410 2.522 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001610104198 1098548325 /nfs/dbraw/zinc/54/83/25/1098548325.db2.gz CUFDDPYYMXGHSK-UHFFFAOYSA-N -1 0 349.390 2.521 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001610105036 1098548917 /nfs/dbraw/zinc/54/89/17/1098548917.db2.gz QAXDDFFVXHBIFS-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccccc2[S-])C1=O ZINC001269962681 1098549916 /nfs/dbraw/zinc/54/99/16/1098549916.db2.gz ICSBHLXMQMOYEJ-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1[S-] ZINC001269964575 1098551010 /nfs/dbraw/zinc/55/10/10/1098551010.db2.gz XRZKFBFWWRMCEV-HUUCEWRRSA-N -1 0 330.453 2.757 20 30 EFEDRM CN(Cc1ccc([S@](C)=O)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001610124317 1098553112 /nfs/dbraw/zinc/55/31/12/1098553112.db2.gz YYQMEDSYZJCBQD-DEOSSOPVSA-N -1 0 342.420 2.626 20 30 EFEDRM CN1C(=O)CCc2cc(C(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc21 ZINC001610128074 1098555612 /nfs/dbraw/zinc/55/56/12/1098555612.db2.gz MPMNWPNCSAYDGX-QPJJXVBHSA-N -1 0 325.320 2.783 20 30 EFEDRM COC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001610155918 1098560048 /nfs/dbraw/zinc/56/00/48/1098560048.db2.gz UBXLXPRKLXOKHQ-SJCJKPOMSA-N -1 0 338.363 2.821 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC001610207950 1098572321 /nfs/dbraw/zinc/57/23/21/1098572321.db2.gz ZQJSNHUCPFXLTM-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COCc1ccsc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610274054 1098597110 /nfs/dbraw/zinc/59/71/10/1098597110.db2.gz VFQVCVRDZWDYMF-UHFFFAOYSA-N -1 0 331.349 2.821 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)NCC2(C#N)CCCC2)c1OC ZINC001610281040 1098600077 /nfs/dbraw/zinc/60/00/77/1098600077.db2.gz CDGSTHIXUGHTOC-UHFFFAOYSA-N -1 0 347.371 2.607 20 30 EFEDRM COc1cc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001610279268 1098600145 /nfs/dbraw/zinc/60/01/45/1098600145.db2.gz BLTILFSRPWZQOO-SNAWJCMRSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NCC(C)(C)CCC#N ZINC001610287395 1098602854 /nfs/dbraw/zinc/60/28/54/1098602854.db2.gz WYFPINVWEJRVAT-UHFFFAOYSA-N -1 0 347.415 2.565 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001610312110 1098616412 /nfs/dbraw/zinc/61/64/12/1098616412.db2.gz OKYMCMHEHBETKI-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C)c1 ZINC001610317478 1098617595 /nfs/dbraw/zinc/61/75/95/1098617595.db2.gz QEKBXCOKNUISEF-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001610329499 1098623239 /nfs/dbraw/zinc/62/32/39/1098623239.db2.gz BDXFKLSOCRDHQX-UHFFFAOYSA-N -1 0 343.310 2.690 20 30 EFEDRM COc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Cl ZINC001610370368 1098644176 /nfs/dbraw/zinc/64/41/76/1098644176.db2.gz BNLFEBGJVGCLFQ-CYBMUJFWSA-N -1 0 346.726 2.598 20 30 EFEDRM COc1nccnc1N=NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001610372632 1098644609 /nfs/dbraw/zinc/64/46/09/1098644609.db2.gz LSQIWZPRZVDJHT-UHFFFAOYSA-N -1 0 338.323 2.889 20 30 EFEDRM CSCc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1F ZINC001610384214 1098647425 /nfs/dbraw/zinc/64/74/25/1098647425.db2.gz QITRCNGSDZIGHS-UHFFFAOYSA-N -1 0 336.388 2.519 20 30 EFEDRM CSc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccn1 ZINC001610383350 1098647532 /nfs/dbraw/zinc/64/75/32/1098647532.db2.gz JJTNZZKLAYGUIQ-UHFFFAOYSA-N -1 0 328.349 2.730 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001610397966 1098654842 /nfs/dbraw/zinc/65/48/42/1098654842.db2.gz SDTOPKYATRLLOB-LBPRGKRZSA-N -1 0 325.368 2.558 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ccc(C#N)cn2)c(C)c1C(=O)[O-] ZINC001610400532 1098656628 /nfs/dbraw/zinc/65/66/28/1098656628.db2.gz YQXCHZWAPOEOAD-SNVBAGLBSA-N -1 0 329.381 2.960 20 30 EFEDRM Cc1[nH]c(C2=NN/C(=N/Cc3ccccc3)SC2)c(C)c1C(=O)[O-] ZINC001610405179 1098659542 /nfs/dbraw/zinc/65/95/42/1098659542.db2.gz SYEKYORNFUHXNF-UHFFFAOYSA-N -1 0 342.424 2.926 20 30 EFEDRM Cc1c(Br)cc(C#N)c(=O)n1Cc1cccc(C(=O)[O-])c1 ZINC001610405743 1098659828 /nfs/dbraw/zinc/65/98/28/1098659828.db2.gz NBSUIHZHHNSNKO-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(-c2cccc(F)c2)nnc1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610429890 1098673369 /nfs/dbraw/zinc/67/33/69/1098673369.db2.gz MDCZMPHDQLXHNJ-UHFFFAOYSA-N -1 0 340.358 2.786 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610432898 1098673880 /nfs/dbraw/zinc/67/38/80/1098673880.db2.gz OXXAMTOBWXIYBC-KDOFPFPSSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C)c1OCC(=O)[O-] ZINC001610435053 1098674811 /nfs/dbraw/zinc/67/48/11/1098674811.db2.gz DEKKNQBBRSAPJM-OAHLLOKOSA-N -1 0 344.411 2.921 20 30 EFEDRM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)ncc1C#N ZINC001610436077 1098676514 /nfs/dbraw/zinc/67/65/14/1098676514.db2.gz SBHWHOVBUYGVJE-UHFFFAOYSA-N -1 0 337.379 2.769 20 30 EFEDRM Cc1nsc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1C#N ZINC001610438734 1098677994 /nfs/dbraw/zinc/67/79/94/1098677994.db2.gz RELQUIAYGQHLBI-UHFFFAOYSA-N -1 0 345.380 2.656 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC001610441855 1098678822 /nfs/dbraw/zinc/67/88/22/1098678822.db2.gz XDHQVMRNNALPGK-SFHVURJKSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001610443472 1098681102 /nfs/dbraw/zinc/68/11/02/1098681102.db2.gz KQIAEVRKAZIOOZ-QGZVFWFLSA-N -1 0 338.363 2.986 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])ccc1F ZINC001610447479 1098683840 /nfs/dbraw/zinc/68/38/40/1098683840.db2.gz OAAMHSHEBMKJRW-OAHLLOKOSA-N -1 0 348.280 2.840 20 30 EFEDRM Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001610456509 1098689834 /nfs/dbraw/zinc/68/98/34/1098689834.db2.gz IRKGKVFLJAGOTO-CQSZACIVSA-N -1 0 329.400 2.764 20 30 EFEDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)n2c3ccccc3nc2c1C#N ZINC001610468727 1098695736 /nfs/dbraw/zinc/69/57/36/1098695736.db2.gz AYIKFIYURHTPPE-STQMWFEESA-N -1 0 334.379 2.967 20 30 EFEDRM Cc1cc(N=NCc2cc(C)c(OCC(=O)[O-])c(C)c2)nc(C)n1 ZINC001610475457 1098699027 /nfs/dbraw/zinc/69/90/27/1098699027.db2.gz MWCRJNXGTVPYAS-UHFFFAOYSA-N -1 0 328.372 2.620 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OCC(=O)N(C)C1(C#N)CCCCC1 ZINC001610489450 1098707975 /nfs/dbraw/zinc/70/79/75/1098707975.db2.gz SZKQJPFDDMARNL-UHFFFAOYSA-N -1 0 330.384 2.757 20 30 EFEDRM Cc1ccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001610507279 1098719882 /nfs/dbraw/zinc/71/98/82/1098719882.db2.gz FALLFBVLDOBCNL-UHFFFAOYSA-N -1 0 330.315 2.822 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNC(=S)Nc2ccc(C)cc2)n1C ZINC001610510705 1098722488 /nfs/dbraw/zinc/72/24/88/1098722488.db2.gz RXGLYTBQTMSMCG-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1nc(C(=O)[O-])cn1CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC001610551973 1098748059 /nfs/dbraw/zinc/74/80/59/1098748059.db2.gz GCFQUXSDQSOSQX-MFOYZWKCSA-N -1 0 339.395 2.770 20 30 EFEDRM Cc1nc(COC(=O)CCc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001610555490 1098749260 /nfs/dbraw/zinc/74/92/60/1098749260.db2.gz ALSZFHQRXUAOHJ-UHFFFAOYSA-N -1 0 330.365 2.697 20 30 EFEDRM Cc1nccc(C=NNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001610563988 1098756264 /nfs/dbraw/zinc/75/62/64/1098756264.db2.gz LBOPHBOQKFIZCV-UHFFFAOYSA-N -1 0 335.161 2.692 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC001610579305 1098765820 /nfs/dbraw/zinc/76/58/20/1098765820.db2.gz VAYLFPCHUJSBLC-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)O[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC001610599794 1098778220 /nfs/dbraw/zinc/77/82/20/1098778220.db2.gz SPSGIORMCBIDIF-INIZCTEOSA-N -1 0 326.352 2.530 20 30 EFEDRM C=CCOC(=O)[C@@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@@H](C)CC ZINC001167961873 1098781094 /nfs/dbraw/zinc/78/10/94/1098781094.db2.gz JVMKUMIZGJLUCS-HZMBPMFUSA-N -1 0 336.344 2.849 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC001610617771 1098785837 /nfs/dbraw/zinc/78/58/37/1098785837.db2.gz MJVBFXQOFFAUER-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC001610618775 1098785969 /nfs/dbraw/zinc/78/59/69/1098785969.db2.gz KGHKTCYVCXRRAM-UHFFFAOYSA-N -1 0 348.786 2.520 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC001610617420 1098786102 /nfs/dbraw/zinc/78/61/02/1098786102.db2.gz CFWVVGROXVXLJO-UHFFFAOYSA-N -1 0 326.755 2.548 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001610618109 1098786190 /nfs/dbraw/zinc/78/61/90/1098786190.db2.gz UYAQJDKMADFDJH-OAHLLOKOSA-N -1 0 345.374 2.603 20 30 EFEDRM N#C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001610619474 1098786357 /nfs/dbraw/zinc/78/63/57/1098786357.db2.gz VWOVNLCVNRYDJP-HNNXBMFYSA-N -1 0 328.755 2.962 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001610619318 1098786366 /nfs/dbraw/zinc/78/63/66/1098786366.db2.gz RYWFDMIAFTYXGH-UHFFFAOYSA-N -1 0 345.786 2.581 20 30 EFEDRM N#CCC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001610621255 1098787998 /nfs/dbraw/zinc/78/79/98/1098787998.db2.gz CUJFABXCBWRPJR-MRXNPFEDSA-N -1 0 344.392 2.708 20 30 EFEDRM N#CCC[C@@H](C#N)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001610621219 1098788127 /nfs/dbraw/zinc/78/81/27/1098788127.db2.gz AXCVFCGADQWPIJ-TUKIKUTGSA-N -1 0 333.338 2.508 20 30 EFEDRM N#CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001610621362 1098788419 /nfs/dbraw/zinc/78/84/19/1098788419.db2.gz GQGXVHUJBKAOLE-MRXNPFEDSA-N -1 0 344.392 2.708 20 30 EFEDRM N#Cc1c(CN[C@H](CCO)c2ccccc2F)cccc1C(=O)[O-] ZINC001610623703 1098788743 /nfs/dbraw/zinc/78/87/43/1098788743.db2.gz SXOSPJQYFKLWHW-QGZVFWFLSA-N -1 0 328.343 2.609 20 30 EFEDRM N#CCc1ccccc1CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001610624257 1098788926 /nfs/dbraw/zinc/78/89/26/1098788926.db2.gz JSXYTLCXFBRVTP-KRWDZBQOSA-N -1 0 327.311 2.803 20 30 EFEDRM N#CCc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001610624259 1098788973 /nfs/dbraw/zinc/78/89/73/1098788973.db2.gz JSXYTLCXFBRVTP-QGZVFWFLSA-N -1 0 327.311 2.803 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)c1 ZINC001610623947 1098789628 /nfs/dbraw/zinc/78/96/28/1098789628.db2.gz CYLOVVQVLBYCPI-MRXNPFEDSA-N -1 0 333.347 2.985 20 30 EFEDRM N#Cc1c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1C(=O)[O-] ZINC001610623883 1098789881 /nfs/dbraw/zinc/78/98/81/1098789881.db2.gz XVMQIXWPSMKRJM-SJORKVTESA-N -1 0 326.396 2.790 20 30 EFEDRM N#Cc1c(CN2CCC(Nc3ccccn3)CC2)cccc1C(=O)[O-] ZINC001610623297 1098789923 /nfs/dbraw/zinc/78/99/23/1098789923.db2.gz LCVPAYGBTOFIHS-UHFFFAOYSA-N -1 0 336.395 2.728 20 30 EFEDRM N#Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)ccc1Cl ZINC001610624798 1098790040 /nfs/dbraw/zinc/79/00/40/1098790040.db2.gz AXAJHFSOJLIZNC-UHFFFAOYSA-N -1 0 343.770 2.724 20 30 EFEDRM N#Cc1c(COC(=O)c2c(O)cc(F)cc2F)cccc1C(=O)[O-] ZINC001610624917 1098790564 /nfs/dbraw/zinc/79/05/64/1098790564.db2.gz IJAZYOCGRKCSOB-UHFFFAOYSA-N -1 0 333.246 2.597 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1F ZINC001610625458 1098790787 /nfs/dbraw/zinc/79/07/87/1098790787.db2.gz PTYMSZPMEZJWQJ-UHFFFAOYSA-N -1 0 333.344 2.813 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)nc1 ZINC001610626177 1098790916 /nfs/dbraw/zinc/79/09/16/1098790916.db2.gz DRMMUHBNNJALBQ-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610626252 1098790994 /nfs/dbraw/zinc/79/09/94/1098790994.db2.gz PKRFNNCFNLJEBA-CQSZACIVSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1c(COC(=O)[C@H](F)Cc2ccccc2)cccc1C(=O)[O-] ZINC001610625158 1098791204 /nfs/dbraw/zinc/79/12/04/1098791204.db2.gz OHADIGCELQHYJT-MRXNPFEDSA-N -1 0 327.311 2.880 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2c(Cl)ccc3cccnc32)c1=O ZINC001610625229 1098791350 /nfs/dbraw/zinc/79/13/50/1098791350.db2.gz LJGUBVBPYVODOZ-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001610626920 1098792196 /nfs/dbraw/zinc/79/21/96/1098792196.db2.gz BGBRXHWZZFWUHH-UHFFFAOYSA-N -1 0 341.392 2.711 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC001610627069 1098792259 /nfs/dbraw/zinc/79/22/59/1098792259.db2.gz KEQNKFCNPPRJBM-UHFFFAOYSA-N -1 0 331.349 2.826 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc(C(=O)[O-])c1 ZINC001610627196 1098792415 /nfs/dbraw/zinc/79/24/15/1098792415.db2.gz QMQSJLGMOBLUST-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1cccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001610630283 1098793907 /nfs/dbraw/zinc/79/39/07/1098793907.db2.gz MTPMESJLZNJBBB-UHFFFAOYSA-N -1 0 344.754 2.644 20 30 EFEDRM N#Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)c(F)c1 ZINC001610628793 1098793975 /nfs/dbraw/zinc/79/39/75/1098793975.db2.gz PNADGDIUHYGSRX-MRXNPFEDSA-N -1 0 345.399 2.707 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001610629439 1098793982 /nfs/dbraw/zinc/79/39/82/1098793982.db2.gz VIRXGCIDFHUUDG-OLZOCXBDSA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001610628704 1098794120 /nfs/dbraw/zinc/79/41/20/1098794120.db2.gz DNSTUBJDGVPDTG-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC001610628696 1098794260 /nfs/dbraw/zinc/79/42/60/1098794260.db2.gz NKSCQCBDLGCMGD-AWEZNQCLSA-N -1 0 339.376 2.549 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cn1 ZINC001610628953 1098794365 /nfs/dbraw/zinc/79/43/65/1098794365.db2.gz SUILLCLHPNJKAM-LSDHHAIUSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)C34CC(C(=O)[O-])(C3)C4)cn2)cc1 ZINC001610630164 1098794580 /nfs/dbraw/zinc/79/45/80/1098794580.db2.gz OQNVEVCQVXOFNP-UHFFFAOYSA-N -1 0 349.346 2.939 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001610629438 1098794682 /nfs/dbraw/zinc/79/46/82/1098794682.db2.gz VIRXGCIDFHUUDG-CHWSQXEVSA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001610632232 1098795279 /nfs/dbraw/zinc/79/52/79/1098795279.db2.gz IAKRTBNIFLOZLM-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001610633076 1098795493 /nfs/dbraw/zinc/79/54/93/1098795493.db2.gz VZDGUCFKQGPVCS-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001610631752 1098795620 /nfs/dbraw/zinc/79/56/20/1098795620.db2.gz WJAWKEMCIRXCEI-UHFFFAOYSA-N -1 0 327.365 2.569 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001610631455 1098795633 /nfs/dbraw/zinc/79/56/33/1098795633.db2.gz ZTMUOWXWZZYQMX-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)c1 ZINC001610632315 1098795879 /nfs/dbraw/zinc/79/58/79/1098795879.db2.gz VHBVIXKQHOJMGW-ZDUSSCGKSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1ccccc1NC(=S)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610632992 1098795905 /nfs/dbraw/zinc/79/59/05/1098795905.db2.gz PCKGXAVWBVSCHC-UHFFFAOYSA-N -1 0 327.365 2.831 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001610632635 1098796012 /nfs/dbraw/zinc/79/60/12/1098796012.db2.gz CQFJEFKPLQJAQU-WAYWQWQTSA-N -1 0 327.727 2.957 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001610632505 1098796363 /nfs/dbraw/zinc/79/63/63/1098796363.db2.gz XRJCCNMCDKSIKG-MRXNPFEDSA-N -1 0 326.327 2.572 20 30 EFEDRM N#Cc1nnc2ccccc2c1NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610636294 1098797433 /nfs/dbraw/zinc/79/74/33/1098797433.db2.gz KHDOWTUDFKGVPF-CQSZACIVSA-N -1 0 336.326 2.921 20 30 EFEDRM N#Cc1sc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nc1Cl ZINC001610637623 1098797652 /nfs/dbraw/zinc/79/76/52/1098797652.db2.gz XFGKKSVCXNYRJL-GHMZBOCLSA-N -1 0 333.800 2.973 20 30 EFEDRM O=C([O-])[C@@H](CC(F)F)NC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001610680775 1098825492 /nfs/dbraw/zinc/82/54/92/1098825492.db2.gz DIQGJIBEPLMWDX-SSDOTTSWSA-N -1 0 347.186 2.822 20 30 EFEDRM O=C([O-])C[C@@H]1CCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001610760621 1098871711 /nfs/dbraw/zinc/87/17/11/1098871711.db2.gz XPGMZYJIPHUXEL-ZDUSSCGKSA-N -1 0 325.286 2.523 20 30 EFEDRM O=C([O-])Cc1occc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001610798013 1098893823 /nfs/dbraw/zinc/89/38/23/1098893823.db2.gz AFHSDQJYTUCOLR-UHFFFAOYSA-N -1 0 346.342 2.954 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000034090389 1099537728 /nfs/dbraw/zinc/53/77/28/1099537728.db2.gz OJTDZXCSVQAPBJ-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(CC#N)c3)cc2=O)cc1 ZINC001627757389 1100031771 /nfs/dbraw/zinc/03/17/71/1100031771.db2.gz JAOKBGMATZPXQD-UHFFFAOYSA-N -1 0 332.363 2.792 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000042234086 1100077160 /nfs/dbraw/zinc/07/71/60/1100077160.db2.gz BXLOHHZUTQECQC-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042233964 1100077640 /nfs/dbraw/zinc/07/76/40/1100077640.db2.gz GABSJZXGLMSJLB-UHFFFAOYSA-N -1 0 334.353 2.791 20 30 EFEDRM Cc1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(-c2ccccc2)s1 ZINC001639318874 1100938698 /nfs/dbraw/zinc/93/86/98/1100938698.db2.gz KFSJEJQJYHKWRE-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(-c2ccccc2)cc1 ZINC001651715610 1101372814 /nfs/dbraw/zinc/37/28/14/1101372814.db2.gz BVFUCRWQHAFBCR-ZDUSSCGKSA-N -1 0 346.390 2.785 20 30 EFEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2cc(C)ncc2C#N)c1 ZINC001651848418 1101395356 /nfs/dbraw/zinc/39/53/56/1101395356.db2.gz MGDGTDLVXYDBHD-UHFFFAOYSA-N -1 0 348.328 2.914 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)ccc1OC(F)F ZINC000748076889 1101428680 /nfs/dbraw/zinc/42/86/80/1101428680.db2.gz WLJRPVJMKHUAJW-UHFFFAOYSA-N -1 0 343.721 2.977 20 30 EFEDRM O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1cc(Cl)ccc1[O-] ZINC000588425765 1102276765 /nfs/dbraw/zinc/27/67/65/1102276765.db2.gz UEWSKJGPGPEMCB-XQRVVYSFSA-N -1 0 340.770 2.977 20 30 EFEDRM C[C@H](NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1)C(F)(F)F ZINC000835000530 1102519528 /nfs/dbraw/zinc/51/95/28/1102519528.db2.gz KFFSFRRHUXCNPI-ZETCQYMHSA-N -1 0 326.221 2.617 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ccncn1 ZINC000835000142 1102523652 /nfs/dbraw/zinc/52/36/52/1102523652.db2.gz AOMTVMFHMUXSGJ-UHFFFAOYSA-N -1 0 328.372 2.751 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796716337 1102578284 /nfs/dbraw/zinc/57/82/84/1102578284.db2.gz ZGQSXAVXWDBEOL-INIZCTEOSA-N -1 0 336.457 2.956 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748132678 1102678558 /nfs/dbraw/zinc/67/85/58/1102678558.db2.gz YIIOJAMGSJQUTL-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM N#CCc1cc2ccccc2c(NC(=N)SCCS(=O)(=O)[O-])c1 ZINC001168097452 1103228966 /nfs/dbraw/zinc/22/89/66/1103228966.db2.gz VCNCBLXTLHEREW-UHFFFAOYSA-N -1 0 349.437 2.874 20 30 EFEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1sccc1C#N ZINC000906069559 1103879112 /nfs/dbraw/zinc/87/91/12/1103879112.db2.gz XCRXEMHILNHPNY-UHFFFAOYSA-N -1 0 338.458 2.890 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)sc2c1CCC2 ZINC000906071909 1103883754 /nfs/dbraw/zinc/88/37/54/1103883754.db2.gz FVAYCEZLXHJAPJ-UHFFFAOYSA-N -1 0 346.433 2.844 20 30 EFEDRM CO[C@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000906073920 1103904429 /nfs/dbraw/zinc/90/44/29/1103904429.db2.gz RTAUJSQAMTXOEW-NXEZZACHSA-N -1 0 328.459 2.521 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)CCC3CC3)sc2C1 ZINC000906075802 1103905893 /nfs/dbraw/zinc/90/58/93/1103905893.db2.gz OTUQEWWQUCVVOF-NSHDSACASA-N -1 0 340.470 2.665 20 30 EFEDRM O=C(CCc1nc2ccccc2s1)[N-]S(=O)(=O)c1cccnc1 ZINC000078776410 1103966634 /nfs/dbraw/zinc/96/66/34/1103966634.db2.gz WBYNXRDNUQZYIT-UHFFFAOYSA-N -1 0 347.421 2.969 20 30 EFEDRM C=CC[C@H](CCC)Oc1nc[n-]c(=O)c1I ZINC001228927344 1104202309 /nfs/dbraw/zinc/20/23/09/1104202309.db2.gz FQBYCGMEQKVBCH-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM C=CCC[C@H](CC)Oc1nc(I)cc(=O)[n-]1 ZINC001228948931 1104226307 /nfs/dbraw/zinc/22/63/07/1104226307.db2.gz DREYJDFDVZOQDK-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM N#C[C@H]1COCCN1Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231746934 1104404712 /nfs/dbraw/zinc/40/47/12/1104404712.db2.gz FZCUVYRAGRKVSG-VIFPVBQESA-N -1 0 331.597 2.532 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000783784912 1104423264 /nfs/dbraw/zinc/42/32/64/1104423264.db2.gz XCTHQZQNSMUEFG-UHFFFAOYSA-N -1 0 328.711 2.668 20 30 EFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3cccc(O)c3F)CC2)C1=O ZINC001272282764 1107468203 /nfs/dbraw/zinc/46/82/03/1107468203.db2.gz JXDMCXSDYPHQSY-LJQANCHMSA-N -1 0 346.402 2.562 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)c([O-])c1 ZINC001272218489 1107937948 /nfs/dbraw/zinc/93/79/48/1107937948.db2.gz BCVLCMSWLUJLSJ-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc(Cl)c([O-])c2)C1=O ZINC001272218852 1107946257 /nfs/dbraw/zinc/94/62/57/1107946257.db2.gz IOZXYYZABUJANK-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Cl)c([O-])c1 ZINC001272219732 1107961518 /nfs/dbraw/zinc/96/15/18/1107961518.db2.gz PTVDDFFNUFRBCN-HUUCEWRRSA-N -1 0 348.830 2.827 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC000905033395 1108335060 /nfs/dbraw/zinc/33/50/60/1108335060.db2.gz MKXMCUILLIACKF-UHFFFAOYSA-N -1 0 349.861 2.727 20 30 EFEDRM C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])NC(=O)C1CCCCC1 ZINC000176398125 1108446934 /nfs/dbraw/zinc/44/69/34/1108446934.db2.gz DMTGPFBQWWPMRV-GFCCVEGCSA-N -1 0 329.400 2.677 20 30 EFEDRM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176404314 1108456641 /nfs/dbraw/zinc/45/66/41/1108456641.db2.gz BGCGIEPLURJQCY-GFCCVEGCSA-N -1 0 329.400 2.677 20 30 EFEDRM CC(C)(C)SCCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000784360434 1108536681 /nfs/dbraw/zinc/53/66/81/1108536681.db2.gz JPPFZCBEFUWKHU-UHFFFAOYSA-N -1 0 348.428 2.662 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C#N)cs1 ZINC000176460712 1108669704 /nfs/dbraw/zinc/66/97/04/1108669704.db2.gz CLNLTPZLEQPYAO-NSHDSACASA-N -1 0 325.349 2.590 20 30 EFEDRM CCCCCCCCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000128200874 1108807906 /nfs/dbraw/zinc/80/79/06/1108807906.db2.gz VMYWXBOXWKEEGA-UHFFFAOYSA-N -1 0 348.494 2.989 20 30 EFEDRM C=CCc1ccc(OCC(=O)[N-]OCc2cccc(C)n2)c(OC)c1 ZINC000898938306 1109144291 /nfs/dbraw/zinc/14/42/91/1109144291.db2.gz WLGMBGKODVIJAE-UHFFFAOYSA-N -1 0 342.395 2.754 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CC3(C2)OCCO3)c1[O-] ZINC000899227346 1109252538 /nfs/dbraw/zinc/25/25/38/1109252538.db2.gz JWWLPEDKUNAZSZ-PXNMLYILSA-N -1 0 326.736 2.526 20 30 EFEDRM COC(=O)c1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)n1C ZINC000899348451 1109296019 /nfs/dbraw/zinc/29/60/19/1109296019.db2.gz ZBNYZTFTLSCORY-NTMALXAHSA-N -1 0 343.335 2.624 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000042232347 1109343832 /nfs/dbraw/zinc/34/38/32/1109343832.db2.gz GAIUTFXSAPSLOA-CYBMUJFWSA-N -1 0 346.408 2.540 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899802293 1109490906 /nfs/dbraw/zinc/49/09/06/1109490906.db2.gz DFLXICNZFAAGAJ-DKYLXPRQSA-N -1 0 341.382 2.701 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2ccccc12 ZINC000842330793 1109496235 /nfs/dbraw/zinc/49/62/35/1109496235.db2.gz VUDJRSJOKAYHQI-UHFFFAOYSA-N -1 0 330.409 2.758 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CSc1ccc(F)cc1 ZINC000042291829 1109549220 /nfs/dbraw/zinc/54/92/20/1109549220.db2.gz VUKNIRDESVYVHI-UHFFFAOYSA-N -1 0 344.389 2.868 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccsc2)cc([N+](=O)[O-])c1C ZINC000042305197 1109590050 /nfs/dbraw/zinc/59/00/50/1109590050.db2.gz GEERBYXGLPNNEK-UHFFFAOYSA-N -1 0 340.382 2.967 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000914517178 1111234913 /nfs/dbraw/zinc/23/49/13/1111234913.db2.gz FQIYDBHESDWOTE-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)[n-]c1C#N ZINC000914535542 1111244357 /nfs/dbraw/zinc/24/43/57/1111244357.db2.gz RFJXPPPDROMTMY-UHFFFAOYSA-N -1 0 325.331 2.977 20 30 EFEDRM CC(C)c1ncc(Br)c(C([O-])=C(C#N)c2nccn2C)n1 ZINC001122518107 1111314833 /nfs/dbraw/zinc/31/48/33/1111314833.db2.gz NMEDLOGRRQTGRZ-VIFPVBQESA-N -1 0 348.204 2.586 20 30 EFEDRM CN(C)C(=O)c1cccc(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000914702492 1111333662 /nfs/dbraw/zinc/33/36/62/1111333662.db2.gz HUZJCFAGAJABEY-WQRHYEAKSA-N -1 0 327.340 2.621 20 30 EFEDRM CS[C@@H](C)CCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000762929812 1111763401 /nfs/dbraw/zinc/76/34/01/1111763401.db2.gz RLTRPRFQOKZXTD-WDEREUQCSA-N -1 0 326.443 2.703 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)cc1 ZINC000916877882 1111994256 /nfs/dbraw/zinc/99/42/56/1111994256.db2.gz YCQBAHVTVIAPGI-QGZVFWFLSA-N -1 0 338.411 2.560 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000916877880 1111994364 /nfs/dbraw/zinc/99/43/64/1111994364.db2.gz MPMUTDMUFJVGFV-HNNXBMFYSA-N -1 0 341.411 2.590 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnn(-c2ccccc2)c1 ZINC000916893892 1111995907 /nfs/dbraw/zinc/99/59/07/1111995907.db2.gz JVBRSEUKWQAIDH-KRWDZBQOSA-N -1 0 336.395 2.644 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175117941 1112383828 /nfs/dbraw/zinc/38/38/28/1112383828.db2.gz ZKSHGALBNZRARV-MRXNPFEDSA-N -1 0 340.379 2.586 20 30 EFEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069618005 1117951700 /nfs/dbraw/zinc/95/17/00/1117951700.db2.gz LHQNLNHEIOQYAN-SCZZXKLOSA-N -1 0 348.218 2.519 20 30 EFEDRM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000073087010 1120535032 /nfs/dbraw/zinc/53/50/32/1120535032.db2.gz SXBFAFHDCMBQHU-OAHLLOKOSA-N -1 0 336.413 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2N(C)C)cc1C#N ZINC000073760513 295689341 /nfs/dbraw/zinc/68/93/41/295689341.db2.gz SOFBHFHCEWLFHN-UHFFFAOYSA-N -1 0 328.397 2.699 20 30 EFEDRM CN(CC#N)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000162544111 529824168 /nfs/dbraw/zinc/82/41/68/529824168.db2.gz POSVXAQONXSDFK-UHFFFAOYSA-N -1 0 347.994 2.513 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)cc2)C(=O)O1 ZINC000022200980 202080665 /nfs/dbraw/zinc/08/06/65/202080665.db2.gz UUHNHXIWFJXSJD-GBXSZLQWSA-N -1 0 335.153 2.677 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cn2)c1 ZINC000034936907 213001462 /nfs/dbraw/zinc/00/14/62/213001462.db2.gz DTMCVWHOTWPDKH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000075572937 202380815 /nfs/dbraw/zinc/38/08/15/202380815.db2.gz DPPPALPEDDKOLW-UHFFFAOYSA-N -1 0 348.355 2.759 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262730671 240364963 /nfs/dbraw/zinc/36/49/63/240364963.db2.gz BTMKRXSRWPOAPM-VIFPVBQESA-N -1 0 331.290 2.815 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc(Cl)c1OCC)C(=O)[O-] ZINC000262781641 240368287 /nfs/dbraw/zinc/36/82/87/240368287.db2.gz BBURQCGMJWJAKG-ZDUSSCGKSA-N -1 0 325.792 2.817 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C ZINC000069282725 238798212 /nfs/dbraw/zinc/79/82/12/238798212.db2.gz PCGBRAHQZUOQMT-ZIAGYGMSSA-N -1 0 341.429 2.533 20 30 EFEDRM C=CCOc1ccccc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261790380 201198171 /nfs/dbraw/zinc/19/81/71/201198171.db2.gz YWDGGQCXFDWNSQ-HNNXBMFYSA-N -1 0 343.301 2.731 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000261990650 201200719 /nfs/dbraw/zinc/20/07/19/201200719.db2.gz CUCXUTQYUQEMKO-CVEARBPZSA-N -1 0 342.395 2.550 20 30 EFEDRM C=CCOc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1OC ZINC000262054704 201201776 /nfs/dbraw/zinc/20/17/76/201201776.db2.gz IPERVHGFPNHORO-UHFFFAOYSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262232593 201202270 /nfs/dbraw/zinc/20/22/70/201202270.db2.gz VMEJHLNLLZZZIH-JTQLQIEISA-N -1 0 327.764 2.723 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000262699080 201205181 /nfs/dbraw/zinc/20/51/81/201205181.db2.gz YHGGNNWUWQBXJY-AWEZNQCLSA-N -1 0 335.400 2.661 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000263019465 201205336 /nfs/dbraw/zinc/20/53/36/201205336.db2.gz XYTYLBFUJURPRS-KXBFYZLASA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(OC)c1OC ZINC000262954471 201205503 /nfs/dbraw/zinc/20/55/03/201205503.db2.gz LMPBOCYZONKYLY-WFASDCNBSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(C(=O)NCCC(C)(C)C(=O)[O-])cc(OC)c1OC ZINC000263064330 201205657 /nfs/dbraw/zinc/20/56/57/201205657.db2.gz QUUDBTYTVONCMT-UHFFFAOYSA-N -1 0 335.400 2.663 20 30 EFEDRM C=CCc1cc(C(=O)NC(C)(C)CCC(=O)[O-])cc(OC)c1OC ZINC000262653571 201206102 /nfs/dbraw/zinc/20/61/02/201206102.db2.gz SHQYCLPXCQANDR-UHFFFAOYSA-N -1 0 335.400 2.806 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CCC)C(=O)[O-])cc1OC ZINC000271924763 201247713 /nfs/dbraw/zinc/24/77/13/201247713.db2.gz CBAUXXFKVYLSKU-PLWJUESGSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOCCCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000268889858 201228644 /nfs/dbraw/zinc/22/86/44/201228644.db2.gz IPVNLLNBWGEMBC-UHFFFAOYSA-N -1 0 341.354 2.751 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@](C)(CC)C(=O)[O-])cc1OC ZINC000268904982 201229328 /nfs/dbraw/zinc/22/93/28/201229328.db2.gz XWKIWAXJWOZTEV-XSFOEPMVSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC)CCC(=O)[O-])cc1OC ZINC000268960949 201229431 /nfs/dbraw/zinc/22/94/31/201229431.db2.gz YMYIABSFDUQABK-VQHVLOKHSA-N -1 0 333.384 2.596 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(OC)[C@H](C)CC)cc2[n-]c1=S ZINC000269145783 201230346 /nfs/dbraw/zinc/23/03/46/201230346.db2.gz PAFBYYVBNJTRSO-LLVKDONJSA-N -1 0 347.440 2.673 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1OC(C)C ZINC000269297681 201231038 /nfs/dbraw/zinc/23/10/38/201231038.db2.gz OTUIDWMXCVTSKJ-UHFFFAOYSA-N -1 0 327.402 2.578 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000273826735 201264056 /nfs/dbraw/zinc/26/40/56/201264056.db2.gz VWRMVDBNEMHARZ-UHFFFAOYSA-N -1 0 333.768 2.516 20 30 EFEDRM C[C@H](C#N)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000162428503 239090110 /nfs/dbraw/zinc/09/01/10/239090110.db2.gz BPEKZLLTQVDBET-RXMQYKEDSA-N -1 0 347.994 2.559 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1c(F)cccc1Cl)[C@@H](C)C(=O)[O-] ZINC000275089319 201276074 /nfs/dbraw/zinc/27/60/74/201276074.db2.gz GMFXLOTVCSVKSA-JTQLQIEISA-N -1 0 349.811 2.660 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000277139942 201300824 /nfs/dbraw/zinc/30/08/24/201300824.db2.gz JYYSGKXFYDGSKM-UHFFFAOYSA-N -1 0 330.306 2.647 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1Cl ZINC000168819319 239126989 /nfs/dbraw/zinc/12/69/89/239126989.db2.gz BJAKRHURIIMLAC-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000279773568 201322512 /nfs/dbraw/zinc/32/25/12/201322512.db2.gz VQPPVILWQQMJFZ-UHFFFAOYSA-N -1 0 335.766 2.677 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)cs1 ZINC000190909617 239952127 /nfs/dbraw/zinc/95/21/27/239952127.db2.gz BZKRTURBZROBAE-JTQLQIEISA-N -1 0 337.364 2.535 20 30 EFEDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000194776152 240176929 /nfs/dbraw/zinc/17/69/29/240176929.db2.gz NSBVIQYVMJELTG-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC000194872367 240185083 /nfs/dbraw/zinc/18/50/83/240185083.db2.gz KXIOESFDKGXION-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC(=O)[O-] ZINC000237979896 240249433 /nfs/dbraw/zinc/24/94/33/240249433.db2.gz JMGKRGVSWQGUEI-UHFFFAOYSA-N -1 0 331.290 2.865 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cn1 ZINC000195438401 240226234 /nfs/dbraw/zinc/22/62/34/240226234.db2.gz FKQDAPMKQFYHBQ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cn1 ZINC000195440416 240226823 /nfs/dbraw/zinc/22/68/23/240226823.db2.gz XLMAAKKBJAKCMS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CC)C(=O)[O-] ZINC000237047026 240238977 /nfs/dbraw/zinc/23/89/77/240238977.db2.gz DZLOIBQCOZKRMI-NSHDSACASA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc(OC)c1OC ZINC000262130825 240342314 /nfs/dbraw/zinc/34/23/14/240342314.db2.gz KJIGUJBQDOXYGI-LBPRGKRZSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1OC ZINC000262129130 240342916 /nfs/dbraw/zinc/34/29/16/240342916.db2.gz HZDJUYKVRKLKAU-CQSZACIVSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC000262820148 240371391 /nfs/dbraw/zinc/37/13/91/240371391.db2.gz DYMXOCUGSXOVJC-GFCCVEGCSA-N -1 0 334.397 2.790 20 30 EFEDRM N#CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000262828109 240371554 /nfs/dbraw/zinc/37/15/54/240371554.db2.gz FQMQKVQQZRPEQH-ZWKOTPCHSA-N -1 0 334.375 2.693 20 30 EFEDRM C=CCC[C@@H](NC(=O)C(C)(C)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262873462 240372816 /nfs/dbraw/zinc/37/28/16/240372816.db2.gz JVBQAJHIDSHBIP-CYBMUJFWSA-N -1 0 335.400 2.517 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)[O-] ZINC000262857518 240373134 /nfs/dbraw/zinc/37/31/34/240373134.db2.gz IKTQDBRPTFTZAE-ZDUSSCGKSA-N -1 0 338.791 2.673 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000262925934 240373868 /nfs/dbraw/zinc/37/38/68/240373868.db2.gz OMDXMCSRYHCUCT-HNNXBMFYSA-N -1 0 331.416 2.611 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000262921948 240373933 /nfs/dbraw/zinc/37/39/33/240373933.db2.gz OBAVIZDLEKIKKU-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000262909707 240374812 /nfs/dbraw/zinc/37/48/12/240374812.db2.gz NAJKAKGRWHBELU-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCCOc1ccc(F)cc1F)C(=O)[O-] ZINC000262973577 240375308 /nfs/dbraw/zinc/37/53/08/240375308.db2.gz SYDKILOAHGIZRQ-CYBMUJFWSA-N -1 0 327.327 2.659 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccc(C)c1Br)C(=O)[O-] ZINC000262979988 240375349 /nfs/dbraw/zinc/37/53/49/240375349.db2.gz UFGYPJBAQFLUQW-NSHDSACASA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C(=O)[O-] ZINC000262945166 240375593 /nfs/dbraw/zinc/37/55/93/240375593.db2.gz QGAFHIVUOQBVPC-HNNXBMFYSA-N -1 0 346.427 2.612 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262988814 240375615 /nfs/dbraw/zinc/37/56/15/240375615.db2.gz LGKBDHJSFMXOBM-TVQRCGJNSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000263062981 240376205 /nfs/dbraw/zinc/37/62/05/240376205.db2.gz QSXVBCJSMRQPFV-HOCLYGCPSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(CC=C)c(OC)c(OC)c1)C(=O)[O-] ZINC000263003642 240376926 /nfs/dbraw/zinc/37/69/26/240376926.db2.gz WMLYKDGTXYTIOA-CQSZACIVSA-N -1 0 333.384 2.582 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263039340 240377079 /nfs/dbraw/zinc/37/70/79/240377079.db2.gz ZNYOVDGTDUNPJW-GFCCVEGCSA-N -1 0 331.290 2.620 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(=O)[O-] ZINC000263022138 240377251 /nfs/dbraw/zinc/37/72/51/240377251.db2.gz YCSBHAUQZBWWKQ-NSHDSACASA-N -1 0 335.429 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC000263014466 240377831 /nfs/dbraw/zinc/37/78/31/240377831.db2.gz XMEUZAAZPIEOCN-GFCCVEGCSA-N -1 0 327.327 2.713 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000263168888 240379396 /nfs/dbraw/zinc/37/93/96/240379396.db2.gz YOHLDEMMXBYKBM-QGZVFWFLSA-N -1 0 348.443 2.996 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263129804 240379472 /nfs/dbraw/zinc/37/94/72/240379472.db2.gz YARZLSFCHDTDOC-UHFFFAOYSA-N -1 0 334.347 2.603 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000263179353 240380368 /nfs/dbraw/zinc/38/03/68/240380368.db2.gz HCBLNZJHNROKNI-GOSISDBHSA-N -1 0 333.384 2.587 20 30 EFEDRM CC[C@@](CNC(=O)c1cccc(CC#N)c1)(C(=O)[O-])c1ccccc1 ZINC000263135814 240381213 /nfs/dbraw/zinc/38/12/13/240381213.db2.gz ZGBYGVUBDKLSKD-FQEVSTJZSA-N -1 0 336.391 2.915 20 30 EFEDRM N#C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000263436868 240382837 /nfs/dbraw/zinc/38/28/37/240382837.db2.gz CPUVFYYTCYRMLD-LJQANCHMSA-N -1 0 335.407 2.595 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000263423558 240383010 /nfs/dbraw/zinc/38/30/10/240383010.db2.gz XJOUQHARTJVUBI-IINYFYTJSA-N -1 0 326.343 2.944 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc(OC)c1OC ZINC000263349445 240383106 /nfs/dbraw/zinc/38/31/06/240383106.db2.gz VCABOLDNVLOCTR-LJQANCHMSA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC000263286382 240383141 /nfs/dbraw/zinc/38/31/41/240383141.db2.gz YBQJDAGRBWTVJN-JSGCOSHPSA-N -1 0 333.384 2.585 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000263345989 240383583 /nfs/dbraw/zinc/38/35/83/240383583.db2.gz GOHADDGGPLJDOO-CRAIPNDOSA-N -1 0 329.400 2.928 20 30 EFEDRM O=C([O-])C1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000263508609 240384182 /nfs/dbraw/zinc/38/41/82/240384182.db2.gz WQGMGJFAMDEKRA-UHFFFAOYSA-N -1 0 349.390 2.810 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000263526832 240385120 /nfs/dbraw/zinc/38/51/20/240385120.db2.gz KIDFGNDNNZFEMV-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000263526831 240385294 /nfs/dbraw/zinc/38/52/94/240385294.db2.gz KIDFGNDNNZFEMV-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000288572036 241017162 /nfs/dbraw/zinc/01/71/62/241017162.db2.gz KVDZHWRWVAWRGI-UHFFFAOYSA-N -1 0 341.204 2.565 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000294486406 241046496 /nfs/dbraw/zinc/04/64/96/241046496.db2.gz PYCMBUQIOLQTPK-XSBJJCPUSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000324556680 241205246 /nfs/dbraw/zinc/20/52/46/241205246.db2.gz OBSCPBMSIPIBKN-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324752779 241205464 /nfs/dbraw/zinc/20/54/64/241205464.db2.gz UHIXVTKISMVQBR-QGZVFWFLSA-N -1 0 325.364 2.850 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCO[C@H]3CCC[C@@H]32)s[n-]1 ZINC000328988724 241282966 /nfs/dbraw/zinc/28/29/66/241282966.db2.gz UVEKZGSRZXDHKB-UWVGGRQHSA-N -1 0 328.463 2.839 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCOCC3(CC3)C2)s[n-]1 ZINC000329420028 241364315 /nfs/dbraw/zinc/36/43/15/241364315.db2.gz DJJQOLHTPXHPSG-UHFFFAOYSA-N -1 0 328.463 2.698 20 30 EFEDRM Cc1csc2ncc(C([O-])=Nc3cc(C)nc(C(C)C)n3)c(=O)n12 ZINC000329235467 241331753 /nfs/dbraw/zinc/33/17/53/241331753.db2.gz NOIRQYWWMGMFCR-UHFFFAOYSA-N -1 0 343.412 2.923 20 30 EFEDRM C[C@]1(C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC(=O)NC1 ZINC000329807376 241432554 /nfs/dbraw/zinc/43/25/54/241432554.db2.gz BKRNCGXRLNXHIC-ZDUSSCGKSA-N -1 0 331.294 2.755 20 30 EFEDRM Cc1cc(N=C([O-])[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cn(C)c1=O ZINC000330192808 241501548 /nfs/dbraw/zinc/50/15/48/241501548.db2.gz NXEZJSKPEDDWSD-HUUCEWRRSA-N -1 0 340.379 2.857 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000343306540 241800014 /nfs/dbraw/zinc/80/00/14/241800014.db2.gz VOZOLUWZVGACFD-LLVKDONJSA-N -1 0 336.442 2.615 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000225530346 241914585 /nfs/dbraw/zinc/91/45/85/241914585.db2.gz TVGXYJHUKUYIHQ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C)n2n1 ZINC000353563994 241975862 /nfs/dbraw/zinc/97/58/62/241975862.db2.gz NROWIXYNWFOFAV-LBPRGKRZSA-N -1 0 331.335 2.977 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccncn1 ZINC000354464579 242000132 /nfs/dbraw/zinc/00/01/32/242000132.db2.gz IPSBYXMABLQXPL-CYBMUJFWSA-N -1 0 347.353 2.780 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355884208 242050229 /nfs/dbraw/zinc/05/02/29/242050229.db2.gz MPHXYGRYEXLQCJ-UHFFFAOYSA-N -1 0 326.328 2.523 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000356229877 242065051 /nfs/dbraw/zinc/06/50/51/242065051.db2.gz UVZIBDNWZTVSFL-CQSZACIVSA-N -1 0 331.715 2.948 20 30 EFEDRM N#C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000356294168 242065695 /nfs/dbraw/zinc/06/56/95/242065695.db2.gz DKENPLNZSCZAJL-AWEZNQCLSA-N -1 0 331.715 2.948 20 30 EFEDRM Cn1nccc1S(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC000356499131 242073302 /nfs/dbraw/zinc/07/33/02/242073302.db2.gz SJQPWBCPVMLPIT-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000354940380 242016136 /nfs/dbraw/zinc/01/61/36/242016136.db2.gz CMXAYMBEUAIGKB-CYBMUJFWSA-N -1 0 337.335 2.738 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cc3cc(Cl)ccn3n2)nc(C)n1 ZINC000355102687 242020066 /nfs/dbraw/zinc/02/00/66/242020066.db2.gz RVAIQPSHTXANMM-CYBMUJFWSA-N -1 0 325.759 2.885 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000355182767 242024319 /nfs/dbraw/zinc/02/43/19/242024319.db2.gz QUTSOFNEZYPNIH-CQSZACIVSA-N -1 0 348.362 2.933 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000357823767 242105358 /nfs/dbraw/zinc/10/53/58/242105358.db2.gz ULZYSPQADZHFAH-LBPRGKRZSA-N -1 0 329.381 2.586 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000358498374 242122045 /nfs/dbraw/zinc/12/20/45/242122045.db2.gz QONCTQVCDSVXGZ-LBPRGKRZSA-N -1 0 330.413 2.857 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@H](C)c2cccc(Cl)c2)s1 ZINC000358739846 242132628 /nfs/dbraw/zinc/13/26/28/242132628.db2.gz DGWQWZPGFHQNFG-SECBINFHSA-N -1 0 343.861 2.746 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@@H](C)c2cccc(Cl)c2)s1 ZINC000358739850 242132672 /nfs/dbraw/zinc/13/26/72/242132672.db2.gz DGWQWZPGFHQNFG-VIFPVBQESA-N -1 0 343.861 2.746 20 30 EFEDRM C=CCN=c1[n-]nc(SCCc2ccccc2C(=O)OC)s1 ZINC000358879516 242136676 /nfs/dbraw/zinc/13/66/76/242136676.db2.gz HWJUHHNHZTYRBA-UHFFFAOYSA-N -1 0 335.454 2.679 20 30 EFEDRM N#CC1(F)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000359355042 242148567 /nfs/dbraw/zinc/14/85/67/242148567.db2.gz YQTLNWCGLKQUIZ-UHFFFAOYSA-N -1 0 348.765 2.699 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000359218892 242146471 /nfs/dbraw/zinc/14/64/71/242146471.db2.gz DZXGAHCAUDYXHD-UHFFFAOYSA-N -1 0 340.431 2.748 20 30 EFEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357122768 242088906 /nfs/dbraw/zinc/08/89/06/242088906.db2.gz RDPQUVDPINPBDN-UHFFFAOYSA-N -1 0 344.421 2.760 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(F)(F)F ZINC000360213297 242190042 /nfs/dbraw/zinc/19/00/42/242190042.db2.gz SWXHWEQNQHJZKC-SNVBAGLBSA-N -1 0 349.334 2.708 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000362680942 242261853 /nfs/dbraw/zinc/26/18/53/242261853.db2.gz LAARFRNZRHOPDN-GFCCVEGCSA-N -1 0 341.354 2.749 20 30 EFEDRM Cc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000363274164 242275566 /nfs/dbraw/zinc/27/55/66/242275566.db2.gz JFGNRIYRMPCTEV-KBPBESRZSA-N -1 0 327.413 2.572 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)cc1 ZINC000362287923 242251015 /nfs/dbraw/zinc/25/10/15/242251015.db2.gz PSEGDHNVJLIALV-UHFFFAOYSA-N -1 0 328.759 2.622 20 30 EFEDRM N#C[C@@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCC[C@]12CCCCO2 ZINC000365100722 242316654 /nfs/dbraw/zinc/31/66/54/242316654.db2.gz PWSBOXACIMHMEE-SUMWQHHRSA-N -1 0 344.440 2.824 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000070039791 203071832 /nfs/dbraw/zinc/07/18/32/203071832.db2.gz DMSRZXIZTOPLCU-UHFFFAOYSA-N -1 0 337.360 2.800 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@@H](C)c2ccc3c(c2)CCC3)s1 ZINC000414207430 244047297 /nfs/dbraw/zinc/04/72/97/244047297.db2.gz GWDWWFSMWLDKGO-NSHDSACASA-N -1 0 349.481 2.582 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076936488 203367425 /nfs/dbraw/zinc/36/74/25/203367425.db2.gz AOEQMEXNBRKECH-CQSZACIVSA-N -1 0 338.429 2.656 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000079103046 203440284 /nfs/dbraw/zinc/44/02/84/203440284.db2.gz HJZNEQCFHIUFOZ-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000416936640 244922279 /nfs/dbraw/zinc/92/22/79/244922279.db2.gz HVNQUGOPPPDSNG-NSHDSACASA-N -1 0 333.417 2.639 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@@H](C)C(=O)N3)n1 ZINC000103795968 204087411 /nfs/dbraw/zinc/08/74/11/204087411.db2.gz LJNMTRYXFPTKIS-ONGXEEELSA-N -1 0 327.365 2.661 20 30 EFEDRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130400131 205237208 /nfs/dbraw/zinc/23/72/08/205237208.db2.gz GFKWAZVCFMNOHI-VIFPVBQESA-N -1 0 347.300 2.989 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000155868497 206039543 /nfs/dbraw/zinc/03/95/43/206039543.db2.gz ZHZAIWLPMMJASZ-AEFFLSMTSA-N -1 0 341.455 2.881 20 30 EFEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000157883352 206161283 /nfs/dbraw/zinc/16/12/83/206161283.db2.gz PAAOBQIEPQFDPG-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422589449 246396382 /nfs/dbraw/zinc/39/63/82/246396382.db2.gz MRQLLAQIDXDPHQ-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM COCc1nocc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000425265325 247021803 /nfs/dbraw/zinc/02/18/03/247021803.db2.gz UOSIFJXOEKPHEL-VIFPVBQESA-N -1 0 325.246 2.725 20 30 EFEDRM COCc1nocc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000425330980 247045267 /nfs/dbraw/zinc/04/52/67/247045267.db2.gz SRVXBKWTSMXYFL-VIFPVBQESA-N -1 0 325.246 2.725 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425300384 247033089 /nfs/dbraw/zinc/03/30/89/247033089.db2.gz LDKWUWRHPZRVFN-LSDHHAIUSA-N -1 0 327.384 2.841 20 30 EFEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000426499213 247288691 /nfs/dbraw/zinc/28/86/91/247288691.db2.gz JPKOIBYOZGJARW-LBPRGKRZSA-N -1 0 346.350 2.924 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427138169 247320739 /nfs/dbraw/zinc/32/07/39/247320739.db2.gz WPHGLJISFUQXAY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)noc2c1 ZINC000427793615 247395340 /nfs/dbraw/zinc/39/53/40/247395340.db2.gz BIGBSYWOESVYGU-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1F ZINC000427759123 247390758 /nfs/dbraw/zinc/39/07/58/247390758.db2.gz KLVXNUCHMQUBAA-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1F ZINC000427775147 247392684 /nfs/dbraw/zinc/39/26/84/247392684.db2.gz SPDAJLXYMVYKOD-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1C#N ZINC000431683619 247928224 /nfs/dbraw/zinc/92/82/24/247928224.db2.gz BOAIHRFMRRGXNP-MRVPVSSYSA-N -1 0 339.182 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)s1 ZINC000435493573 248245940 /nfs/dbraw/zinc/24/59/40/248245940.db2.gz JHNQIWMQCLHCKQ-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)s1 ZINC000435475760 248246015 /nfs/dbraw/zinc/24/60/15/248246015.db2.gz XIMBIFDRZNEZFD-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435503302 248247086 /nfs/dbraw/zinc/24/70/86/248247086.db2.gz CRVRXAZPCVYYFL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436731889 249584323 /nfs/dbraw/zinc/58/43/23/249584323.db2.gz REDWJEWRZLSXCN-AWEZNQCLSA-N -1 0 325.324 2.857 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436679534 249570438 /nfs/dbraw/zinc/57/04/38/249570438.db2.gz KHVDYPCASHSSFM-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1 ZINC000167799041 206541129 /nfs/dbraw/zinc/54/11/29/206541129.db2.gz ZYJAWQWGOWJFOR-AWEZNQCLSA-N -1 0 329.400 2.640 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1OC(F)(F)F ZINC000442243609 250075251 /nfs/dbraw/zinc/07/52/51/250075251.db2.gz QTVUPCCTYZDVMZ-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM COc1ccc(-c2n[n-]c(=NCc3ccc(C#N)c(OC)c3)o2)cc1 ZINC000443066916 250156756 /nfs/dbraw/zinc/15/67/56/250156756.db2.gz FXDCXUVSQIBGQV-UHFFFAOYSA-N -1 0 336.351 2.659 20 30 EFEDRM C=CCNc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000009513965 211095853 /nfs/dbraw/zinc/09/58/53/211095853.db2.gz AWVUNHNGIYDFGT-UHFFFAOYSA-N -1 0 337.455 2.726 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000174923996 207072566 /nfs/dbraw/zinc/07/25/66/207072566.db2.gz ABUUSLOSFSKYMM-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000177299978 207316344 /nfs/dbraw/zinc/31/63/44/207316344.db2.gz KJRIIXLIERURPA-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000095408921 258066891 /nfs/dbraw/zinc/06/68/91/258066891.db2.gz PONMWWVSGZXFEG-ZETCQYMHSA-N -1 0 333.822 2.584 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000095408922 258066964 /nfs/dbraw/zinc/06/69/64/258066964.db2.gz PONMWWVSGZXFEG-SSDOTTSWSA-N -1 0 333.822 2.584 20 30 EFEDRM C[C@@H]1CCC[C@H](NC(=O)CN2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000329587622 296456264 /nfs/dbraw/zinc/45/62/64/296456264.db2.gz MTVXKPNVBCZTBT-YIYPIFLZSA-N -1 0 335.452 2.819 20 30 EFEDRM CC(=Cc1ccc(O)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609880 533380576 /nfs/dbraw/zinc/38/05/76/533380576.db2.gz MKZGYEURWAYEEM-YVMONPNESA-N -1 0 346.184 2.979 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC000263489572 141398351 /nfs/dbraw/zinc/39/83/51/141398351.db2.gz ODJFCWDFNXZYCA-MEDUHNTESA-N -1 0 333.775 2.930 20 30 EFEDRM CCC1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)(C(=O)[O-])CC1 ZINC000326746164 141503291 /nfs/dbraw/zinc/50/32/91/141503291.db2.gz KOLDZCLWKIXNPE-CDJWAVJASA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000344702368 142064063 /nfs/dbraw/zinc/06/40/63/142064063.db2.gz UOZUGRMCZXJKDE-LBPRGKRZSA-N -1 0 344.314 2.776 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cn1 ZINC000349943672 142381607 /nfs/dbraw/zinc/38/16/07/142381607.db2.gz IQZNMFKOTWUROB-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000337763085 143802518 /nfs/dbraw/zinc/80/25/18/143802518.db2.gz LCRBPUNZNKGVRM-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM CC(C)Cn1cc([N-]c2nccc(C#N)c2[N+](=O)[O-])c(C(F)F)n1 ZINC000341341803 145036315 /nfs/dbraw/zinc/03/63/15/145036315.db2.gz DOBKDXABUYUKPK-UHFFFAOYSA-N -1 0 336.302 2.817 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c(F)c1 ZINC000342184092 145077179 /nfs/dbraw/zinc/07/71/79/145077179.db2.gz PPKQUWGAFXYZDQ-UHFFFAOYSA-N -1 0 347.346 2.796 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(-c2ccc(F)cc2)n1 ZINC000342495098 145138194 /nfs/dbraw/zinc/13/81/94/145138194.db2.gz UELZVUMLUDCQGS-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM Cc1cccc(CC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000342598639 145156349 /nfs/dbraw/zinc/15/63/49/145156349.db2.gz SVFNACAQLJGOAQ-UHFFFAOYSA-N -1 0 336.363 2.666 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c(F)c1 ZINC000342611409 145158969 /nfs/dbraw/zinc/15/89/69/145158969.db2.gz XQFOHSGFRAQYKS-UHFFFAOYSA-N -1 0 348.374 2.530 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000350891567 146098779 /nfs/dbraw/zinc/09/87/79/146098779.db2.gz AHOOHROHIKJIDU-UHFFFAOYSA-N -1 0 341.314 2.818 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)[n-]c1C#N ZINC000351253327 146118646 /nfs/dbraw/zinc/11/86/46/146118646.db2.gz NSXHXWWQLJRFHH-UHFFFAOYSA-N -1 0 341.199 2.702 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000351513175 146135877 /nfs/dbraw/zinc/13/58/77/146135877.db2.gz VIBOXQMGJQTHOW-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cs1 ZINC000351983448 146255210 /nfs/dbraw/zinc/25/52/10/146255210.db2.gz RZYBQXYNHZJGNT-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1[N+](=O)[O-] ZINC000355910318 147096508 /nfs/dbraw/zinc/09/65/08/147096508.db2.gz VTSPBTRMZUZVNF-DJWKRKHSSA-N -1 0 325.280 2.739 20 30 EFEDRM CCn1cn[n-]c1=NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000356197713 147173429 /nfs/dbraw/zinc/17/34/29/147173429.db2.gz BNHBFRVFHQIAKO-UHFFFAOYSA-N -1 0 349.419 2.995 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000357378206 147508630 /nfs/dbraw/zinc/50/86/30/147508630.db2.gz AFIKIPKMHQDYSC-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C#N)cc1N(C)C ZINC000357463408 147532327 /nfs/dbraw/zinc/53/23/27/147532327.db2.gz DWISMNGDSRGWOV-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C#N)cc3F)o2)c1 ZINC000359309710 148051731 /nfs/dbraw/zinc/05/17/31/148051731.db2.gz ROPNMDGBBWJALR-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000359638751 148147291 /nfs/dbraw/zinc/14/72/91/148147291.db2.gz KDNRWCVSIHIOTP-UHFFFAOYSA-N -1 0 349.387 2.939 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc(-c2ccco2)s1 ZINC000359712034 148168030 /nfs/dbraw/zinc/16/80/30/148168030.db2.gz AZNGFHNVZGVLIF-UHFFFAOYSA-N -1 0 325.353 2.549 20 30 EFEDRM Cc1nc(-c2ccccc2)ncc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359723276 148171968 /nfs/dbraw/zinc/17/19/68/148171968.db2.gz IFHWCDKVOONQSG-UHFFFAOYSA-N -1 0 344.378 2.598 20 30 EFEDRM Cc1noc2nc(C3CC3)cc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c12 ZINC000359728559 148173699 /nfs/dbraw/zinc/17/36/99/148173699.db2.gz XUGZQIQAUANHRQ-UHFFFAOYSA-N -1 0 348.366 2.555 20 30 EFEDRM Cc1nsc(Sc2n[n-]c(=NCc3ccco3)s2)c1C#N ZINC000360879805 148478473 /nfs/dbraw/zinc/47/84/73/148478473.db2.gz MDTKWZGXRFANCI-UHFFFAOYSA-N -1 0 335.439 2.953 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc3cccnc32)n[nH]c1C1CC1 ZINC000362672909 148866625 /nfs/dbraw/zinc/86/66/25/148866625.db2.gz WMQCDKLEDNVGAP-UHFFFAOYSA-N -1 0 339.380 2.508 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1-c1cccc(F)c1 ZINC000367924808 149987719 /nfs/dbraw/zinc/98/77/19/149987719.db2.gz BZVXCYQYUZZZCB-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)on1 ZINC000373604177 151197491 /nfs/dbraw/zinc/19/74/91/151197491.db2.gz OTSRJHZLYFWTTO-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)c1 ZINC000374366884 151332849 /nfs/dbraw/zinc/33/28/49/151332849.db2.gz OXEAYKDFPKNOMM-QGZVFWFLSA-N -1 0 326.327 2.617 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(F)cc3[O-])n2)c1 ZINC000378317278 152055119 /nfs/dbraw/zinc/05/51/19/152055119.db2.gz ZBORPPCJHLHITA-UHFFFAOYSA-N -1 0 336.326 2.723 20 30 EFEDRM CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408431360 152190434 /nfs/dbraw/zinc/19/04/34/152190434.db2.gz GCBPZPOYAKGYON-SNVBAGLBSA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1cc(F)c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(F)c1 ZINC000290773519 270024514 /nfs/dbraw/zinc/02/45/14/270024514.db2.gz VQWFMCVHSUHJPY-SECBINFHSA-N -1 0 347.287 2.731 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000290552401 270024595 /nfs/dbraw/zinc/02/45/95/270024595.db2.gz QPRGYBIHUATUSY-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM CCC(CC)n1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)n1 ZINC000432744467 270028188 /nfs/dbraw/zinc/02/81/88/270028188.db2.gz JCCYLXHVOAVMGI-UHFFFAOYSA-N -1 0 328.420 2.742 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)NCc2ccc(C#N)cc2)n1 ZINC000438908885 270028514 /nfs/dbraw/zinc/02/85/14/270028514.db2.gz WZUOWOTYDHTXSO-UHFFFAOYSA-N -1 0 346.390 2.942 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1Cl ZINC000443418206 270028657 /nfs/dbraw/zinc/02/86/57/270028657.db2.gz RYLZIUOVUYYICP-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM N#Cc1ccc(C=CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000492792962 270032716 /nfs/dbraw/zinc/03/27/16/270032716.db2.gz MGHZKCKOEHJSLJ-CMDGGOBGSA-N -1 0 331.335 2.701 20 30 EFEDRM N#Cc1cccc(F)c1C=C([O-])Nc1nc(-c2ccccc2)ns1 ZINC000507463775 270033839 /nfs/dbraw/zinc/03/38/39/270033839.db2.gz KSMZBENUMCSLBZ-UHFFFAOYSA-N -1 0 338.367 2.819 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)[n-]1 ZINC000530457498 270035296 /nfs/dbraw/zinc/03/52/96/270035296.db2.gz DNKSZRUVAZLVIQ-PBHICJAKSA-N -1 0 337.427 2.611 20 30 EFEDRM N#Cc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)s1 ZINC000531138068 270035455 /nfs/dbraw/zinc/03/54/55/270035455.db2.gz AJFWOIWHJMKEJX-YFHOEESVSA-N -1 0 349.371 2.972 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCSc3ccccc32)[n-]1 ZINC000531831071 270035466 /nfs/dbraw/zinc/03/54/66/270035466.db2.gz ZFONIZUYFWKFHG-AWEZNQCLSA-N -1 0 326.425 2.976 20 30 EFEDRM N#Cc1csc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000530885543 270035481 /nfs/dbraw/zinc/03/54/81/270035481.db2.gz CFKVFHNFBACHNY-IZZDOVSWSA-N -1 0 349.371 2.972 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(F)c1 ZINC000533581395 270036781 /nfs/dbraw/zinc/03/67/81/270036781.db2.gz GZJHHTKPMBXZTC-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(F)cc1C#N ZINC000291630872 267111026 /nfs/dbraw/zinc/11/10/26/267111026.db2.gz BLXPBRZFXWDVMN-BXKDBHETSA-N -1 0 329.297 2.733 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000451072322 267176804 /nfs/dbraw/zinc/17/68/04/267176804.db2.gz NJWIIDZJVRGVSD-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CC[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000415254605 267182684 /nfs/dbraw/zinc/18/26/84/267182684.db2.gz LBCFOOMJFAZESA-CYBMUJFWSA-N -1 0 336.317 2.865 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000530957198 267247155 /nfs/dbraw/zinc/24/71/55/267247155.db2.gz BGWPMZCYZYXEAJ-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000531364785 267248377 /nfs/dbraw/zinc/24/83/77/267248377.db2.gz AMLYJYUAQYVBPU-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000179659709 267391886 /nfs/dbraw/zinc/39/18/86/267391886.db2.gz MMSKSLSWXMSPJR-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000515556423 268022735 /nfs/dbraw/zinc/02/27/35/268022735.db2.gz IPSWAWBXGCELQA-UHFFFAOYSA-N -1 0 337.314 2.749 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1nccs1 ZINC000446943497 268030195 /nfs/dbraw/zinc/03/01/95/268030195.db2.gz JVMFUEHHEZHTRO-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM Cc1cccc(C)c1CS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000450983409 268049932 /nfs/dbraw/zinc/04/99/32/268049932.db2.gz QJCXHWXIYLDUMS-UHFFFAOYSA-N -1 0 332.429 2.894 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1 ZINC000174002781 268161799 /nfs/dbraw/zinc/16/17/99/268161799.db2.gz LEOXJYIOOZCBQM-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)o1 ZINC000288128779 268207874 /nfs/dbraw/zinc/20/78/74/268207874.db2.gz APVZLUTXXHHLMW-UHFFFAOYSA-N -1 0 333.369 2.668 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C2CCCC2)cc1Cl ZINC000493264168 268254954 /nfs/dbraw/zinc/25/49/54/268254954.db2.gz URGFKMVKMADNGI-YVMONPNESA-N -1 0 338.816 2.763 20 30 EFEDRM N#Cc1cccc(C=CC(=O)N=c2nc(-c3cccnc3)[n-]s2)c1 ZINC000492303014 268265466 /nfs/dbraw/zinc/26/54/66/268265466.db2.gz ZBBINWSIQSSJAR-VOTSOKGWSA-N -1 0 333.376 2.546 20 30 EFEDRM N#Cc1nc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1Cl ZINC000290674364 268322149 /nfs/dbraw/zinc/32/21/49/268322149.db2.gz KUQKHBDSZKRWOD-VIFPVBQESA-N -1 0 346.740 2.502 20 30 EFEDRM CCCCOc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290506202 269647404 /nfs/dbraw/zinc/64/74/04/269647404.db2.gz IAXCHLYBMUXBPF-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)CCCCF ZINC000288659627 274638445 /nfs/dbraw/zinc/63/84/45/274638445.db2.gz VFBJEDZCFQRGBH-UHFFFAOYSA-N -1 0 335.198 2.812 20 30 EFEDRM CC(C)(C)CC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000362216363 278321125 /nfs/dbraw/zinc/32/11/25/278321125.db2.gz LUQADFYOUMZXRX-CYBMUJFWSA-N -1 0 344.477 2.659 20 30 EFEDRM CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000416172970 278522475 /nfs/dbraw/zinc/52/24/75/278522475.db2.gz ZKFCINZPTSYCSE-JTQLQIEISA-N -1 0 329.169 2.962 20 30 EFEDRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000073288911 281859290 /nfs/dbraw/zinc/85/92/90/281859290.db2.gz SONBWBLDXHBUIQ-CQSZACIVSA-N -1 0 344.477 2.644 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccncc2)C2CC2)cc1C#N ZINC000066050201 292687678 /nfs/dbraw/zinc/68/76/78/292687678.db2.gz AMWLGNGYBBDDFA-UHFFFAOYSA-N -1 0 340.408 2.581 20 30 EFEDRM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125917298 293020641 /nfs/dbraw/zinc/02/06/41/293020641.db2.gz OGKNTKGVNGVRDB-QWHCGFSZSA-N -1 0 346.424 2.789 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c(F)c1 ZINC000126844193 293051924 /nfs/dbraw/zinc/05/19/24/293051924.db2.gz PHQIHCWHLPBAGB-UHFFFAOYSA-N -1 0 334.376 2.879 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(F)c2F)c(F)c1 ZINC000129491480 293135843 /nfs/dbraw/zinc/13/58/43/293135843.db2.gz SEVPZBCGBMJPME-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(F)c1 ZINC000129878028 293146461 /nfs/dbraw/zinc/14/64/61/293146461.db2.gz PNNSUNVXUZRJSH-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000130140151 293155810 /nfs/dbraw/zinc/15/58/10/293155810.db2.gz PIMISKLRAKSDJI-UHFFFAOYSA-N -1 0 338.335 2.905 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1 ZINC000131682024 293204517 /nfs/dbraw/zinc/20/45/17/293204517.db2.gz QHXUSSXFVLUNKK-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000263212019 297216423 /nfs/dbraw/zinc/21/64/23/297216423.db2.gz NQGQFMOSBWBICL-ZYHUDNBSSA-N -1 0 340.339 2.562 20 30 EFEDRM C[C@@H]1Cc2sc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)c(C#N)c2[C@@H](C)C1 ZINC000414088635 297507766 /nfs/dbraw/zinc/50/77/66/297507766.db2.gz JHOIFKVITMLJCP-FSZOTQKASA-N -1 0 348.424 2.876 20 30 EFEDRM N#CC1(F)CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000350664055 303144648 /nfs/dbraw/zinc/14/46/48/303144648.db2.gz XYUMHQUMQRJNKF-UHFFFAOYSA-N -1 0 337.405 2.548 20 30 EFEDRM N#C[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332205797 303160368 /nfs/dbraw/zinc/16/03/68/303160368.db2.gz SSQGTSCCZKKPSP-GXFFZTMASA-N -1 0 330.775 2.653 20 30 EFEDRM N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856936 303160391 /nfs/dbraw/zinc/16/03/91/303160391.db2.gz ZXTSSFWMTSKMBL-WRWORJQWSA-N -1 0 327.153 2.716 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263434038 303213127 /nfs/dbraw/zinc/21/31/27/303213127.db2.gz UPIBIRDJBNJZDI-MRVPVSSYSA-N -1 0 335.285 2.825 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000337755037 303214623 /nfs/dbraw/zinc/21/46/23/303214623.db2.gz HKYUXWDHYYTRHT-UHFFFAOYSA-N -1 0 341.396 2.542 20 30 EFEDRM N#Cc1nc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)[n-]c1C#N ZINC000103188173 303216062 /nfs/dbraw/zinc/21/60/62/303216062.db2.gz SAOGXYWLDWSASO-SNVBAGLBSA-N -1 0 333.273 2.828 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137190974 310668108 /nfs/dbraw/zinc/66/81/08/310668108.db2.gz LUQPXMDRMSSUID-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(OC)c1 ZINC000137196740 310668110 /nfs/dbraw/zinc/66/81/10/310668110.db2.gz SXOVCIARAMEZNR-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000160658045 310701359 /nfs/dbraw/zinc/70/13/59/310701359.db2.gz XWONGMAKGRBJQR-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000160668525 310701520 /nfs/dbraw/zinc/70/15/20/310701520.db2.gz MSUGSHZSWQXZOW-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000322276323 311239356 /nfs/dbraw/zinc/23/93/56/311239356.db2.gz OKBPAUBUOBDNJV-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000325584806 311243324 /nfs/dbraw/zinc/24/33/24/311243324.db2.gz WSLFDQNLTZHGFZ-CYBMUJFWSA-N -1 0 330.384 2.619 20 30 EFEDRM O=C(/C=C\c1ccc(SC(F)F)cc1)N[C@H]1CCCN(O)C1=O ZINC000493188576 314270010 /nfs/dbraw/zinc/27/00/10/314270010.db2.gz KTVVPAJWIMCFLH-JECSTDCCSA-N -1 0 342.367 2.511 20 30 EFEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C ZINC000537195896 317664862 /nfs/dbraw/zinc/66/48/62/317664862.db2.gz DIMIAWJDJGWZBM-JTQLQIEISA-N -1 0 336.392 2.974 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c(F)c1 ZINC000542933079 317834626 /nfs/dbraw/zinc/83/46/26/317834626.db2.gz IKOHERAULSDAGL-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000548200391 318084197 /nfs/dbraw/zinc/08/41/97/318084197.db2.gz MCBSXPVWTDSVAB-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM COc1ccc(=NCc2cccc(OCc3cccc(C#N)c3)c2)[n-]n1 ZINC000551447927 318207603 /nfs/dbraw/zinc/20/76/03/318207603.db2.gz DBDDSEVRXXCHQZ-UHFFFAOYSA-N -1 0 346.390 2.970 20 30 EFEDRM CC(C)(C)CC[C@@](C)(NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000551588366 318210665 /nfs/dbraw/zinc/21/06/65/318210665.db2.gz SXHYOVIFFPNONK-MRXNPFEDSA-N -1 0 338.429 2.506 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)sc1C(F)(F)F ZINC000562522894 318658565 /nfs/dbraw/zinc/65/85/65/318658565.db2.gz KXAOJTJZWCXAPC-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000565809369 319003875 /nfs/dbraw/zinc/00/38/75/319003875.db2.gz FNSKLRUBTUUYBM-JTQLQIEISA-N -1 0 336.392 2.974 20 30 EFEDRM Cc1cc([C@@H](NC(=O)Nc2cccc(C#N)c2)C(=O)[O-])ccc1F ZINC000567010558 319129835 /nfs/dbraw/zinc/12/98/35/319129835.db2.gz RXJQWZUQMNFTGY-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccnc1 ZINC000567296849 319158165 /nfs/dbraw/zinc/15/81/65/319158165.db2.gz OPHMRRMIRSIHHK-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1cccc(N=c2[n-]nc(Sc3cc(C#N)ncn3)s2)c1 ZINC000568008476 319236030 /nfs/dbraw/zinc/23/60/30/319236030.db2.gz ZZVXMAYEDZJRON-UHFFFAOYSA-N -1 0 342.409 2.525 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000569570421 319393023 /nfs/dbraw/zinc/39/30/23/319393023.db2.gz SZIIUHBXBHWYDW-RYUDHWBXSA-N -1 0 326.368 2.551 20 30 EFEDRM CSc1ccc(CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000572163780 319643508 /nfs/dbraw/zinc/64/35/08/319643508.db2.gz AJQBYIQVGHSZAS-UHFFFAOYSA-N -1 0 325.397 2.836 20 30 EFEDRM CC(=Cc1cc2c(c(Cl)c1)OCO2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000574388123 319857420 /nfs/dbraw/zinc/85/74/20/319857420.db2.gz ITTQJCIGLRYMGL-FPYGCLRLSA-N -1 0 329.743 2.893 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(=O)[O-] ZINC000576814377 320050810 /nfs/dbraw/zinc/05/08/10/320050810.db2.gz SISVDSYPHYJHQI-KXUCPTDWSA-N -1 0 336.413 2.561 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C#N)c1C ZINC000181141658 323227976 /nfs/dbraw/zinc/22/79/76/323227976.db2.gz SXVCWEDXGIJMJE-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C#N ZINC000181142007 323228676 /nfs/dbraw/zinc/22/86/76/323228676.db2.gz QAGWBHMRDQTHLR-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000181663585 323243713 /nfs/dbraw/zinc/24/37/13/323243713.db2.gz PTKDHUFYZDZJQU-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000391247444 323781739 /nfs/dbraw/zinc/78/17/39/323781739.db2.gz WSIKHOHRIHFWEA-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C(=O)[O-] ZINC000578867555 323829636 /nfs/dbraw/zinc/82/96/36/323829636.db2.gz SVJWETSTDCPPTR-YGRLFVJLSA-N -1 0 340.339 2.562 20 30 EFEDRM N#Cc1ccc(OCC(=O)[O-])cc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000580214364 324122697 /nfs/dbraw/zinc/12/26/97/324122697.db2.gz SVNLFMVQTIXKOY-KRWDZBQOSA-N -1 0 339.347 2.856 20 30 EFEDRM N#CC(=C([O-])c1nc(N2CCCC2)ncc1Cl)c1ccccn1 ZINC000049457389 472950527 /nfs/dbraw/zinc/95/05/27/472950527.db2.gz BLNFLHRGMGEWFO-LLVKDONJSA-N -1 0 327.775 2.615 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)nc1C ZINC000095455855 473207735 /nfs/dbraw/zinc/20/77/35/473207735.db2.gz AAOVCMLPPWJJHY-UHFFFAOYSA-N -1 0 346.412 2.581 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000095960083 473230603 /nfs/dbraw/zinc/23/06/03/473230603.db2.gz MIHCMBKDWCKCQZ-MRXNPFEDSA-N -1 0 326.327 2.838 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000081756306 473250386 /nfs/dbraw/zinc/25/03/86/473250386.db2.gz GVANRZGHZRISRS-UFBFGSQYSA-N -1 0 328.488 2.508 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000184860068 473256506 /nfs/dbraw/zinc/25/65/06/473256506.db2.gz YEHMXYALDKUJOE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184869703 473259511 /nfs/dbraw/zinc/25/95/11/473259511.db2.gz VQKPQPMEHAIDOB-UHFFFAOYSA-N -1 0 344.392 2.960 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C#N ZINC000145725798 473294840 /nfs/dbraw/zinc/29/48/40/473294840.db2.gz RFABPCCKEUYRQW-UHFFFAOYSA-N -1 0 331.353 2.717 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000185000822 473296075 /nfs/dbraw/zinc/29/60/75/473296075.db2.gz FBPWBQMWFKAASN-UHFFFAOYSA-N -1 0 344.458 2.787 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1[N+](=O)[O-] ZINC000124777591 473302301 /nfs/dbraw/zinc/30/23/01/473302301.db2.gz AMROVWBTGKZMMM-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)cn1 ZINC000171155721 473304249 /nfs/dbraw/zinc/30/42/49/473304249.db2.gz QOEJBDWNCXALSV-UHFFFAOYSA-N -1 0 348.453 2.870 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000083147387 473324494 /nfs/dbraw/zinc/32/44/94/473324494.db2.gz FIFAMYYPQHNTCU-HRCADAONSA-N -1 0 348.424 2.517 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000610725269 469052939 /nfs/dbraw/zinc/05/29/39/469052939.db2.gz RENJOQGAVQWEIC-UHFFFAOYSA-N -1 0 337.426 2.850 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)s1 ZINC000616338723 469426990 /nfs/dbraw/zinc/42/69/90/469426990.db2.gz HGXWHFCMMDNAAF-UHFFFAOYSA-N -1 0 347.343 2.920 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(F)c1 ZINC000177346325 473359583 /nfs/dbraw/zinc/35/95/83/473359583.db2.gz XQGAZDUNXVKWQY-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000084025699 473384952 /nfs/dbraw/zinc/38/49/52/473384952.db2.gz WFSYCYJTTVHVJD-BXKDBHETSA-N -1 0 330.406 2.532 20 30 EFEDRM CSc1nc(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s[n-]1 ZINC000619789770 479884933 /nfs/dbraw/zinc/88/49/33/479884933.db2.gz UTTDGSQJAOINSS-UHFFFAOYSA-N -1 0 339.833 2.529 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000393733658 476835954 /nfs/dbraw/zinc/83/59/54/476835954.db2.gz CSRUPIWAHBCBLY-XJKSGUPXSA-N -1 0 329.400 2.818 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016147603 471927817 /nfs/dbraw/zinc/92/78/17/471927817.db2.gz STOAQTZYOOYFDH-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000053945617 472043752 /nfs/dbraw/zinc/04/37/52/472043752.db2.gz ZUNHRUNZHOIQSU-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccccc1Cl ZINC000067600755 472056891 /nfs/dbraw/zinc/05/68/91/472056891.db2.gz NUNYATAWCSQRPN-YFHOEESVSA-N -1 0 339.804 2.822 20 30 EFEDRM CN1C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2C1=O ZINC000041542231 472068490 /nfs/dbraw/zinc/06/84/90/472068490.db2.gz HHNKHYUXWNTUOI-CYBMUJFWSA-N -1 0 345.314 2.544 20 30 EFEDRM CS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041547107 472068957 /nfs/dbraw/zinc/06/89/57/472068957.db2.gz VHLOJNLKTBXNPH-CYBMUJFWSA-N -1 0 340.360 2.721 20 30 EFEDRM COCc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000025336055 472091428 /nfs/dbraw/zinc/09/14/28/472091428.db2.gz ZSFBKUQOEVPSKF-UHFFFAOYSA-N -1 0 329.381 2.779 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3c2OCO3)n1 ZINC000067897281 472106212 /nfs/dbraw/zinc/10/62/12/472106212.db2.gz FDWUUKWLSUYJML-JTQLQIEISA-N -1 0 344.348 2.539 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2OC)n1 ZINC000067898390 472107044 /nfs/dbraw/zinc/10/70/44/472107044.db2.gz STCVKBGXNUUPIN-LLVKDONJSA-N -1 0 330.365 2.818 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338949 472130505 /nfs/dbraw/zinc/13/05/05/472130505.db2.gz NZMNFFQCPVQGRH-UHFFFAOYSA-N -1 0 347.392 2.850 20 30 EFEDRM N#Cc1nc(NC(=O)CSCc2cccc(Cl)c2)[n-]c1C#N ZINC000026274142 472130859 /nfs/dbraw/zinc/13/08/59/472130859.db2.gz KLHFLFITRODPPZ-UHFFFAOYSA-N -1 0 331.788 2.678 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccccc2C)cc1C#N ZINC000027607047 472187569 /nfs/dbraw/zinc/18/75/69/472187569.db2.gz RBJJJDCXCBTROM-UHFFFAOYSA-N -1 0 327.409 2.961 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068465812 472195334 /nfs/dbraw/zinc/19/53/34/472195334.db2.gz WKMNUBPBYMJKML-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000055548581 472202509 /nfs/dbraw/zinc/20/25/09/472202509.db2.gz PFERBVHDXROBDI-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000055566911 472205522 /nfs/dbraw/zinc/20/55/22/472205522.db2.gz AYBWMBOLMYTVOS-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC000055635787 472215750 /nfs/dbraw/zinc/21/57/50/472215750.db2.gz URPAUBQSCGIVGK-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000028251194 472220024 /nfs/dbraw/zinc/22/00/24/472220024.db2.gz OLFRAMLPORPLEU-UHFFFAOYSA-N -1 0 341.392 2.708 20 30 EFEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000029329263 472270214 /nfs/dbraw/zinc/27/02/14/472270214.db2.gz NVYJUMYSXOPUTC-UHFFFAOYSA-N -1 0 337.426 2.856 20 30 EFEDRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283760 472315975 /nfs/dbraw/zinc/31/59/75/472315975.db2.gz KLWGVXXKMSAMNT-GHMZBOCLSA-N -1 0 347.820 2.569 20 30 EFEDRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283753 472316670 /nfs/dbraw/zinc/31/66/70/472316670.db2.gz KLWGVXXKMSAMNT-QWRGUYRKSA-N -1 0 347.820 2.569 20 30 EFEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000069343544 472324957 /nfs/dbraw/zinc/32/49/57/472324957.db2.gz NEROZRALLAWBPK-ZDUSSCGKSA-N -1 0 334.422 2.735 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000045097905 472372566 /nfs/dbraw/zinc/37/25/66/472372566.db2.gz VUEDCVZGAUTKHZ-UHFFFAOYSA-N -1 0 347.392 2.981 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000069677565 472395968 /nfs/dbraw/zinc/39/59/68/472395968.db2.gz IMXGPOAPVYJAQD-UHFFFAOYSA-N -1 0 347.396 2.574 20 30 EFEDRM Cc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccccn3)c[nH]c21 ZINC000097002753 472407176 /nfs/dbraw/zinc/40/71/76/472407176.db2.gz DKPRJJTZJQRVRQ-UHFFFAOYSA-N -1 0 329.381 2.759 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000097053728 472428910 /nfs/dbraw/zinc/42/89/10/472428910.db2.gz ZGVPPUIPZRIQCM-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CC#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000154554744 472445383 /nfs/dbraw/zinc/44/53/83/472445383.db2.gz NMFBJJBPUGTWEL-UHFFFAOYSA-N -1 0 342.420 2.549 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(OC3CCC3)cc2Cl)[n-]c1C#N ZINC000089485625 472449651 /nfs/dbraw/zinc/44/96/51/472449651.db2.gz XPSXRRAMWQVQCR-UHFFFAOYSA-N -1 0 341.758 2.990 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000097163997 472470635 /nfs/dbraw/zinc/47/06/35/472470635.db2.gz KJPCQJZWRIBFSC-UHFFFAOYSA-N -1 0 346.124 2.732 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nncn1Cc1ccccc1 ZINC000117733427 472476035 /nfs/dbraw/zinc/47/60/35/472476035.db2.gz OKXVRHAERFJPGK-AWEZNQCLSA-N -1 0 347.378 2.604 20 30 EFEDRM Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071345 472502936 /nfs/dbraw/zinc/50/29/36/472502936.db2.gz CQOGYMWIQLVDPW-UHFFFAOYSA-N -1 0 327.450 2.589 20 30 EFEDRM CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCCC2)C1 ZINC000058080995 472503315 /nfs/dbraw/zinc/50/33/15/472503315.db2.gz XMJWANKUVYBWDK-ZDUSSCGKSA-N -1 0 344.477 2.644 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000097676450 472504094 /nfs/dbraw/zinc/50/40/94/472504094.db2.gz CBACRSHMSCTLIG-CQSZACIVSA-N -1 0 343.383 2.937 20 30 EFEDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000058168382 472511333 /nfs/dbraw/zinc/51/13/33/472511333.db2.gz ITUJGWYRCIZHCT-UHFFFAOYSA-N -1 0 330.705 2.535 20 30 EFEDRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000089904127 472540969 /nfs/dbraw/zinc/54/09/69/472540969.db2.gz XYWLQBGNYGVIPL-SECBINFHSA-N -1 0 329.360 2.659 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000101966140 472558012 /nfs/dbraw/zinc/55/80/12/472558012.db2.gz QYNLLOJBWDZZTK-SFHVURJKSA-N -1 0 344.374 2.511 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C3CCOCC3)c2C)n1 ZINC000155507278 472560361 /nfs/dbraw/zinc/56/03/61/472560361.db2.gz TWHRRQLTQQUXPS-ZDUSSCGKSA-N -1 0 330.413 2.798 20 30 EFEDRM C=CCN1C(=O)/C(=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)SC1=S ZINC000058464473 472572849 /nfs/dbraw/zinc/57/28/49/472572849.db2.gz TTYKAUCUQTWJAM-AVMBBCFPSA-N -1 0 349.433 2.926 20 30 EFEDRM N#Cc1ccccc1N1CCCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000119722146 472579338 /nfs/dbraw/zinc/57/93/38/472579338.db2.gz JCNPOLZHJHAYPU-UHFFFAOYSA-N -1 0 339.370 2.755 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130293391 472596163 /nfs/dbraw/zinc/59/61/63/472596163.db2.gz PHSMZYAORFDJEM-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130315883 472597599 /nfs/dbraw/zinc/59/75/99/472597599.db2.gz KWLYVVUZKQZUJY-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 ZINC000130322055 472598382 /nfs/dbraw/zinc/59/83/82/472598382.db2.gz UBJHCJCPUOROFO-UHFFFAOYSA-N -1 0 342.336 2.749 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000059132327 472622835 /nfs/dbraw/zinc/62/28/35/472622835.db2.gz FSVXXDMHRNMBPR-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000130909847 472635755 /nfs/dbraw/zinc/63/57/55/472635755.db2.gz GRRWYGHXRGJYQF-CQSZACIVSA-N -1 0 342.362 2.644 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000060360615 472646591 /nfs/dbraw/zinc/64/65/91/472646591.db2.gz RLAQTGLCRNMNSG-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131231516 472657934 /nfs/dbraw/zinc/65/79/34/472657934.db2.gz FOSZDNJZIVFTDU-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccc(F)cc32)cc1C#N ZINC000060472372 472659821 /nfs/dbraw/zinc/65/98/21/472659821.db2.gz AVIYYGDQVRRZAH-UHFFFAOYSA-N -1 0 329.356 2.723 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000105387697 472750294 /nfs/dbraw/zinc/75/02/94/472750294.db2.gz HMHMYPIOWYIFIR-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000156837797 472759414 /nfs/dbraw/zinc/75/94/14/472759414.db2.gz CTUMGQKNNQROCE-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1C#N ZINC000063700917 472801251 /nfs/dbraw/zinc/80/12/51/472801251.db2.gz BHSXPCMWSMIWQU-GXTWGEPZSA-N -1 0 343.383 2.806 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccsc1 ZINC000079014812 472806159 /nfs/dbraw/zinc/80/61/59/472806159.db2.gz ITXWGVJRHPSJNA-UHFFFAOYSA-N -1 0 347.421 2.686 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000048382523 472869747 /nfs/dbraw/zinc/86/97/47/472869747.db2.gz ZFDCZPNLRSYJNP-UHFFFAOYSA-N -1 0 344.411 2.966 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048405669 472872882 /nfs/dbraw/zinc/87/28/82/472872882.db2.gz UUAIZELTLHYXNB-CMDGGOBGSA-N -1 0 339.804 2.741 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048448152 472879280 /nfs/dbraw/zinc/87/92/80/472879280.db2.gz ULKAYVYOWOWFOR-WAYWQWQTSA-N -1 0 345.833 2.802 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1c(F)cccc1F ZINC000048491203 472882273 /nfs/dbraw/zinc/88/22/73/472882273.db2.gz PHEXJQYSKIATDV-VOTSOKGWSA-N -1 0 342.323 2.928 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1c(F)cccc1F ZINC000048491202 472882417 /nfs/dbraw/zinc/88/24/17/472882417.db2.gz PHEXJQYSKIATDV-SREVYHEPSA-N -1 0 342.323 2.928 20 30 EFEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000048566404 472888836 /nfs/dbraw/zinc/88/88/36/472888836.db2.gz UMZZYRCDDZBFNN-UHFFFAOYSA-N -1 0 330.362 2.685 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000048599863 472892593 /nfs/dbraw/zinc/89/25/93/472892593.db2.gz WZOSYRIDGPRFFT-MDZDMXLPSA-N -1 0 342.376 2.925 20 30 EFEDRM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000134582418 472933464 /nfs/dbraw/zinc/93/34/64/472933464.db2.gz LGFXDJHZPQLKSB-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049391893 472947346 /nfs/dbraw/zinc/94/73/46/472947346.db2.gz GVBPPSVTFCZBEK-HNNXBMFYSA-N -1 0 344.378 2.996 20 30 EFEDRM N#CC(=C([O-])c1cccs1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391666 472947674 /nfs/dbraw/zinc/94/76/74/472947674.db2.gz XMAJQIFSRDFPHR-LLVKDONJSA-N -1 0 336.380 2.749 20 30 EFEDRM Cc1ccccc1NC(=O)[C@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000122001404 472960784 /nfs/dbraw/zinc/96/07/84/472960784.db2.gz VIBXZXJXYKMAPU-SNVBAGLBSA-N -1 0 338.289 2.694 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n(CCC#N)n1 ZINC000066247977 473063532 /nfs/dbraw/zinc/06/35/32/473063532.db2.gz HBJVJXFRNUHZEP-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccsc2)cc1 ZINC000066250106 473064549 /nfs/dbraw/zinc/06/45/49/473064549.db2.gz TUWHUPRYCDDMAY-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(C#N)c3)c2C)o1 ZINC000135407949 473068094 /nfs/dbraw/zinc/06/80/94/473068094.db2.gz WKGAYMFARMIERC-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000136106938 473134920 /nfs/dbraw/zinc/13/49/20/473134920.db2.gz XJGFWDWVDLONSF-JTQLQIEISA-N -1 0 326.381 2.964 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ncccc2[O-])cc1 ZINC000123468662 473145186 /nfs/dbraw/zinc/14/51/86/473145186.db2.gz HEFXFHGKVYHMHI-UHFFFAOYSA-N -1 0 337.379 2.854 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000123492006 473147496 /nfs/dbraw/zinc/14/74/96/473147496.db2.gz QZLUZMQLOYIHFZ-LLVKDONJSA-N -1 0 334.445 2.871 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000093928992 473163093 /nfs/dbraw/zinc/16/30/93/473163093.db2.gz YRLGNMWLVVJOCY-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000110590381 473163988 /nfs/dbraw/zinc/16/39/88/473163988.db2.gz OTSGGSJBZOOWKP-SNVBAGLBSA-N -1 0 336.442 2.913 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCN2CCc3sccc3C2)c1 ZINC000066887651 473169922 /nfs/dbraw/zinc/16/99/22/473169922.db2.gz XXXABUIFCSMNTQ-LICLKQGHSA-N -1 0 331.397 2.839 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)nc(C)n1 ZINC000075439288 473187124 /nfs/dbraw/zinc/18/71/24/473187124.db2.gz POUJKIIFGCQCRC-CYBMUJFWSA-N -1 0 335.342 2.908 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)cc1OC ZINC000095385804 473194109 /nfs/dbraw/zinc/19/41/09/473194109.db2.gz MAUNBOGHEVXBOI-UHFFFAOYSA-N -1 0 339.344 2.536 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1C#N ZINC000137262389 473200665 /nfs/dbraw/zinc/20/06/65/473200665.db2.gz QTXWARZVKPMLAK-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C#CC[NH+]1CCC(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC000125358823 473400025 /nfs/dbraw/zinc/40/00/25/473400025.db2.gz WSHUVIYLVCDCQF-UHFFFAOYSA-N -1 0 326.318 2.695 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000113862162 473419411 /nfs/dbraw/zinc/41/94/11/473419411.db2.gz VVCIZFVYFNJGLA-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114061592 473435743 /nfs/dbraw/zinc/43/57/43/473435743.db2.gz QGNSVAFWBJCACR-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc12 ZINC000185628746 473472194 /nfs/dbraw/zinc/47/21/94/473472194.db2.gz IOKNUWFOTDSLGA-UHFFFAOYSA-N -1 0 342.380 2.766 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(F)cc1F ZINC000164009000 473475059 /nfs/dbraw/zinc/47/50/59/473475059.db2.gz AYILPHRGJWLNEF-UHFFFAOYSA-N -1 0 340.355 2.723 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000185649062 473477298 /nfs/dbraw/zinc/47/72/98/473477298.db2.gz HIJSKGNNLNHPRF-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000185649086 473477452 /nfs/dbraw/zinc/47/74/52/473477452.db2.gz XNPNAIYZMMNEDT-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164408770 473488735 /nfs/dbraw/zinc/48/87/35/473488735.db2.gz MKHIHGDKYGAHMB-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM CC(C)(C)c1[n-]n(CC(=O)NCc2ccccc2)c(=O)c1CCC#N ZINC000151830967 473497664 /nfs/dbraw/zinc/49/76/64/473497664.db2.gz JMCJAJVKTZABIY-UHFFFAOYSA-N -1 0 340.427 2.659 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000191273163 473521688 /nfs/dbraw/zinc/52/16/88/473521688.db2.gz NPVFLGRHMCNSJQ-UHFFFAOYSA-N -1 0 334.372 2.591 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000178601839 473536863 /nfs/dbraw/zinc/53/68/63/473536863.db2.gz FKWJIIBNXYBUNH-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000126796053 473546529 /nfs/dbraw/zinc/54/65/29/473546529.db2.gz SIMRVCFUUIADIP-UHFFFAOYSA-N -1 0 339.323 2.811 20 30 EFEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n[nH]1 ZINC000126981530 473566016 /nfs/dbraw/zinc/56/60/16/473566016.db2.gz XKJILHMBFZGSCO-LLVKDONJSA-N -1 0 326.404 2.515 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179025042 473614434 /nfs/dbraw/zinc/61/44/34/473614434.db2.gz DJWUBYYHZJPZKA-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2C)cc(C(=O)[O-])c1C ZINC000179028168 473615179 /nfs/dbraw/zinc/61/51/79/473615179.db2.gz HFNXJLUDBSMMAN-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC(F)F ZINC000186213968 473618353 /nfs/dbraw/zinc/61/83/53/473618353.db2.gz KDRALKQGMLXAAL-MRVPVSSYSA-N -1 0 332.266 2.653 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000186469394 473678369 /nfs/dbraw/zinc/67/83/69/473678369.db2.gz NCSPBGFNZMJAGC-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000179546920 473693717 /nfs/dbraw/zinc/69/37/17/473693717.db2.gz MXRJZVBABVNTQZ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1 ZINC000179916947 473754425 /nfs/dbraw/zinc/75/44/25/473754425.db2.gz XMJGZUWZGLIHFW-ZDUSSCGKSA-N -1 0 337.335 2.738 20 30 EFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC000186877308 473774404 /nfs/dbraw/zinc/77/44/04/473774404.db2.gz HMJJCYUYZHBTIF-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193356670 473783561 /nfs/dbraw/zinc/78/35/61/473783561.db2.gz GITZJXYOMQTGMH-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000193982698 473823910 /nfs/dbraw/zinc/82/39/10/473823910.db2.gz FGERCJIETGSTIK-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM C=CCN1CC[C@@H](N(C)C(=O)c2c([O-])cc(Cl)cc2Cl)C1=O ZINC000281821172 473848533 /nfs/dbraw/zinc/84/85/33/473848533.db2.gz VRPPYSJDUIZUAO-LLVKDONJSA-N -1 0 343.210 2.558 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000187762492 473917077 /nfs/dbraw/zinc/91/70/77/473917077.db2.gz WABPBIGHFBTUAW-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000282132277 473955592 /nfs/dbraw/zinc/95/55/92/473955592.db2.gz YXDZNQPWLPRSGC-UHFFFAOYSA-N -1 0 347.396 2.574 20 30 EFEDRM COc1ccc([C@@H]([N-]S(=O)(=O)CCCC#N)C(F)(F)F)cc1 ZINC000180749453 473956252 /nfs/dbraw/zinc/95/62/52/473956252.db2.gz NBROGFLQIQCFNU-GFCCVEGCSA-N -1 0 336.335 2.522 20 30 EFEDRM N#CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000180798862 473967250 /nfs/dbraw/zinc/96/72/50/473967250.db2.gz SLEDREXDPNOKAC-UHFFFAOYSA-N -1 0 328.347 2.625 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1N1CCCC1 ZINC000288583744 473989787 /nfs/dbraw/zinc/98/97/87/473989787.db2.gz MBHABBRNMYJLDM-UHFFFAOYSA-N -1 0 331.397 2.861 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000288606250 473998528 /nfs/dbraw/zinc/99/85/28/473998528.db2.gz ORGCYDBBALOLAF-UHFFFAOYSA-N -1 0 336.804 2.754 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1[O-] ZINC000188241855 474032259 /nfs/dbraw/zinc/03/22/59/474032259.db2.gz MLKMIZKTLCVBEG-UHFFFAOYSA-N -1 0 346.350 2.505 20 30 EFEDRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000181770636 474061686 /nfs/dbraw/zinc/06/16/86/474061686.db2.gz GXGRTEBTYULBJT-LBPRGKRZSA-N -1 0 344.392 2.937 20 30 EFEDRM Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195496722 474084012 /nfs/dbraw/zinc/08/40/12/474084012.db2.gz RRPLMIZHRXSRMC-MDZDMXLPSA-N -1 0 340.404 2.526 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1 ZINC000174940842 474119787 /nfs/dbraw/zinc/11/97/87/474119787.db2.gz CNVYXOJQPNDHIU-UHFFFAOYSA-N -1 0 335.429 2.905 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000174989624 474127013 /nfs/dbraw/zinc/12/70/13/474127013.db2.gz PVPVUAIJAJZRIN-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)ccc1F ZINC000188575273 474130921 /nfs/dbraw/zinc/13/09/21/474130921.db2.gz CLXZTFZCWFFUII-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC=CCC2)c(C(F)(F)F)c1 ZINC000265464490 474223685 /nfs/dbraw/zinc/22/36/85/474223685.db2.gz HQJLAGBMLCYBJA-LLVKDONJSA-N -1 0 330.331 2.964 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000182990317 474302050 /nfs/dbraw/zinc/30/20/50/474302050.db2.gz QGGFDRCTNNVGSU-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCCC2)n1)c1nc(C2CC2)cs1 ZINC000634011490 480095089 /nfs/dbraw/zinc/09/50/89/480095089.db2.gz FECRVPUZMIWESK-LBPRGKRZSA-N -1 0 339.424 2.901 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183126774 474335108 /nfs/dbraw/zinc/33/51/08/474335108.db2.gz CDNXKTNSSNLVGD-ZDUSSCGKSA-N -1 0 348.428 2.631 20 30 EFEDRM N#CC1(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCCCC1 ZINC000283284752 474361691 /nfs/dbraw/zinc/36/16/91/474361691.db2.gz FGACDXFMHBQMKI-UHFFFAOYSA-N -1 0 328.347 2.673 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)nn1CCC#N ZINC000271023301 474373624 /nfs/dbraw/zinc/37/36/24/474373624.db2.gz GPECVFFVSZIOSX-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM C[C@@H](NC(=O)N=c1ncn(Cc2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000608840788 480099514 /nfs/dbraw/zinc/09/95/14/480099514.db2.gz CJQXKHGITZKLGG-CQSZACIVSA-N -1 0 346.394 2.503 20 30 EFEDRM N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1nc2ccccc2o1 ZINC000183516382 474389319 /nfs/dbraw/zinc/38/93/19/474389319.db2.gz UVWSESDPFDYEOQ-ZIAGYGMSSA-N -1 0 349.346 2.881 20 30 EFEDRM Cc1ncsc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000266208100 474424236 /nfs/dbraw/zinc/42/42/36/474424236.db2.gz LULMISGWEZMVDH-SNAWJCMRSA-N -1 0 344.436 2.885 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000238009909 474520127 /nfs/dbraw/zinc/52/01/27/474520127.db2.gz ATKDCFSVHQVUFZ-UHFFFAOYSA-N -1 0 335.425 2.626 20 30 EFEDRM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000241586448 474555345 /nfs/dbraw/zinc/55/53/45/474555345.db2.gz OWBZNBODASMTCA-LBPRGKRZSA-N -1 0 325.372 2.668 20 30 EFEDRM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000184653465 474576219 /nfs/dbraw/zinc/57/62/19/474576219.db2.gz GCLNZMAOKLSIHM-LBPRGKRZSA-N -1 0 344.392 2.622 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000290998326 474590290 /nfs/dbraw/zinc/59/02/90/474590290.db2.gz AQVICVZXWPVXOX-UHFFFAOYSA-N -1 0 345.261 2.946 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OC/C=C/Cl)CCCN1C(=O)OC(C)(C)C ZINC000291697453 474651148 /nfs/dbraw/zinc/65/11/48/474651148.db2.gz BZFHAZKNBMZUBL-OJXHRBAXSA-N -1 0 342.823 2.580 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1C(F)(F)F ZINC000337124645 474719746 /nfs/dbraw/zinc/71/97/46/474719746.db2.gz DFKFSEQEWVDEPY-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)cn1 ZINC000337147954 474738893 /nfs/dbraw/zinc/73/88/93/474738893.db2.gz ZRAJEVNWHBFFFS-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000291932306 474757804 /nfs/dbraw/zinc/75/78/04/474757804.db2.gz WRHJOOLQMQWCDN-UHFFFAOYSA-N -1 0 340.836 2.688 20 30 EFEDRM Cc1nc(=NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[n-]n1C ZINC000344531833 474761192 /nfs/dbraw/zinc/76/11/92/474761192.db2.gz FLMRIIRNHYYHQX-UHFFFAOYSA-N -1 0 347.378 2.656 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncnc3c(F)c(OC)ccc23)s1 ZINC000337205736 474781434 /nfs/dbraw/zinc/78/14/34/474781434.db2.gz LDWPCXHNNIGISJ-UHFFFAOYSA-N -1 0 349.416 2.800 20 30 EFEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C(F)F)n1 ZINC000340946072 474807269 /nfs/dbraw/zinc/80/72/69/474807269.db2.gz ZCLFYZCQCRGSLO-UHFFFAOYSA-N -1 0 344.343 2.742 20 30 EFEDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)n[nH]1 ZINC000340950536 474810275 /nfs/dbraw/zinc/81/02/75/474810275.db2.gz JEGRWAGTTJUGKH-UHFFFAOYSA-N -1 0 344.352 2.776 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)o1 ZINC000340950677 474810374 /nfs/dbraw/zinc/81/03/74/474810374.db2.gz JLSJWTUUJVIDEF-UHFFFAOYSA-N -1 0 332.259 2.693 20 30 EFEDRM CNC(=O)C1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000273269252 474815345 /nfs/dbraw/zinc/81/53/45/474815345.db2.gz ZLWCPWTVLCISTE-QGMBQPNBSA-N -1 0 339.779 2.678 20 30 EFEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340963033 474824168 /nfs/dbraw/zinc/82/41/68/474824168.db2.gz JXDMMCYXEADLEJ-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM Cc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])nc(N2CCCC2)n1 ZINC000292089440 474841855 /nfs/dbraw/zinc/84/18/55/474841855.db2.gz NOBIFCWFWXUGSC-VCHYOVAHSA-N -1 0 341.371 2.618 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc(CC)nc2C)n1 ZINC000345069648 474863387 /nfs/dbraw/zinc/86/33/87/474863387.db2.gz SHWVELQTLCRKHI-VIFPVBQESA-N -1 0 333.369 2.669 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc([C@@H](C)CC)cc1)C(=O)[O-] ZINC000315936140 474874722 /nfs/dbraw/zinc/87/47/22/474874722.db2.gz RUSGZYMUAIWDMZ-SWLSCSKDSA-N -1 0 325.430 2.898 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000285081549 474887402 /nfs/dbraw/zinc/88/74/02/474887402.db2.gz LDUZIWUIQUWEJZ-RSPDNQDQSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000339096147 474923019 /nfs/dbraw/zinc/92/30/19/474923019.db2.gz JJXBHGXADUFDMW-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C1CC1 ZINC000341057445 474925705 /nfs/dbraw/zinc/92/57/05/474925705.db2.gz ZNUWKAVNPFLXNV-UHFFFAOYSA-N -1 0 334.401 2.682 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000278950642 474937232 /nfs/dbraw/zinc/93/72/32/474937232.db2.gz CZKOHHMZJYBRKH-SECBINFHSA-N -1 0 338.289 2.629 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000322517369 474939232 /nfs/dbraw/zinc/93/92/32/474939232.db2.gz IEMWQQJRDVOZRJ-UHFFFAOYSA-N -1 0 337.441 2.602 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Oc2ccccc2Cl)[n-]1 ZINC000345157686 474945048 /nfs/dbraw/zinc/94/50/48/474945048.db2.gz GQYBHPGTNDBPSY-NSHDSACASA-N -1 0 332.791 2.817 20 30 EFEDRM CC(C)OCc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000345157103 474946135 /nfs/dbraw/zinc/94/61/35/474946135.db2.gz GJDATUNPHFOVGB-UHFFFAOYSA-N -1 0 326.400 2.935 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)ccc1C#N ZINC000323728868 474952768 /nfs/dbraw/zinc/95/27/68/474952768.db2.gz OBVWIZDQRBDOFF-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)ccc1C#N ZINC000324120058 474960079 /nfs/dbraw/zinc/96/00/79/474960079.db2.gz SLMZPFRRLUQVCH-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000324370204 474966859 /nfs/dbraw/zinc/96/68/59/474966859.db2.gz JMFBINGJNLSDIY-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC(C)C ZINC000273609050 474988840 /nfs/dbraw/zinc/98/88/40/474988840.db2.gz LLEZAEVZNBOAMC-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000292402240 475006896 /nfs/dbraw/zinc/00/68/96/475006896.db2.gz ATYZIWZDPHRTNN-SECBINFHSA-N -1 0 344.405 2.690 20 30 EFEDRM CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000292402243 475007339 /nfs/dbraw/zinc/00/73/39/475007339.db2.gz ATYZIWZDPHRTNN-VIFPVBQESA-N -1 0 344.405 2.690 20 30 EFEDRM N#Cc1ccc(OCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000326721126 475011114 /nfs/dbraw/zinc/01/11/14/475011114.db2.gz BTWSDQDPWBCSDF-KRWDZBQOSA-N -1 0 338.363 2.659 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccccc1 ZINC000339190529 475022334 /nfs/dbraw/zinc/02/23/34/475022334.db2.gz WWDCPMAZIYLGLZ-CYBMUJFWSA-N -1 0 327.384 2.841 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000280546735 475033133 /nfs/dbraw/zinc/03/31/33/475033133.db2.gz IPIIWDAUOWVUJM-GFCCVEGCSA-N -1 0 335.429 2.856 20 30 EFEDRM Cc1c(NC(=O)N=c2ccc(OC(C)C)n[n-]2)cnn1C1CCCC1 ZINC000329020930 475067923 /nfs/dbraw/zinc/06/79/23/475067923.db2.gz HUNOBBSYWUMESD-UHFFFAOYSA-N -1 0 344.419 2.963 20 30 EFEDRM CC[C@@H]1C[C@H](C([O-])=Nc2cccc(-c3nnnn3C)c2)CC(=O)N1 ZINC000329762052 475127778 /nfs/dbraw/zinc/12/77/78/475127778.db2.gz SFVNGRCTHGVOEM-NWDGAFQWSA-N -1 0 328.376 2.610 20 30 EFEDRM C[C@@]1(C([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCC(=O)NC1 ZINC000329807372 475136926 /nfs/dbraw/zinc/13/69/26/475136926.db2.gz BKRNCGXRLNXHIC-CYBMUJFWSA-N -1 0 331.294 2.755 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(C)ccc1NS(C)(=O)=O)OCC ZINC000339362446 475163009 /nfs/dbraw/zinc/16/30/09/475163009.db2.gz NOXPJNURGGMDDW-HNNXBMFYSA-N -1 0 340.445 2.676 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)nc1 ZINC000609344742 480151624 /nfs/dbraw/zinc/15/16/24/480151624.db2.gz UVEKZNYAWWAFML-UHFFFAOYSA-N -1 0 327.413 2.602 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000341657737 475209293 /nfs/dbraw/zinc/20/92/93/475209293.db2.gz NIPKKHULWZMLBQ-NSHDSACASA-N -1 0 338.738 2.831 20 30 EFEDRM CN1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1=O ZINC000330244051 475217866 /nfs/dbraw/zinc/21/78/66/475217866.db2.gz XCVOMDNLZDBHKI-VIFPVBQESA-N -1 0 338.820 2.717 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1C ZINC000345556680 475263429 /nfs/dbraw/zinc/26/34/29/475263429.db2.gz GEEQCQIPCQIJGZ-SNVBAGLBSA-N -1 0 331.397 2.882 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1C ZINC000345573118 475275911 /nfs/dbraw/zinc/27/59/11/475275911.db2.gz USNTZXWRNVLFJR-LLVKDONJSA-N -1 0 331.397 2.882 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC000347377698 475280735 /nfs/dbraw/zinc/28/07/35/475280735.db2.gz SZAAFLGSDKTGHV-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000347382717 475283539 /nfs/dbraw/zinc/28/35/39/475283539.db2.gz WTPCPPLOXMEPCB-UHFFFAOYSA-N -1 0 325.364 2.978 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337762465 475303655 /nfs/dbraw/zinc/30/36/55/475303655.db2.gz PYIFZMFSIRRBSO-UHFFFAOYSA-N -1 0 345.380 2.520 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000337762851 475303852 /nfs/dbraw/zinc/30/38/52/475303852.db2.gz QGHUCDGKDMHTQJ-UHFFFAOYSA-N -1 0 333.365 2.781 20 30 EFEDRM COC1(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CCC(C)CC1 ZINC000331068766 475307483 /nfs/dbraw/zinc/30/74/83/475307483.db2.gz ZUINGIOWQXAQLG-UHFFFAOYSA-N -1 0 349.456 2.706 20 30 EFEDRM Cc1ccc(C)c(S([O-])=CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000341795215 475308353 /nfs/dbraw/zinc/30/83/53/475308353.db2.gz DGBUHJLJPDMYLT-QHCPKHFHSA-N -1 0 326.421 2.599 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H](CCO)C2CCCCC2)s[n-]1 ZINC000331181712 475320060 /nfs/dbraw/zinc/32/00/60/475320060.db2.gz RTNRZPVYQJTFSF-LBPRGKRZSA-N -1 0 340.493 2.915 20 30 EFEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000347576634 475324493 /nfs/dbraw/zinc/32/44/93/475324493.db2.gz LDPAZHQOLNYNMW-LLVKDONJSA-N -1 0 345.284 2.872 20 30 EFEDRM Cc1nc(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)sc1C ZINC000331258264 475329285 /nfs/dbraw/zinc/32/92/85/475329285.db2.gz ZDXTTXYHJZIVOG-UHFFFAOYSA-N -1 0 325.463 2.857 20 30 EFEDRM CC(=Cc1ccc(-c2cnn(C)c2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000337861278 475386769 /nfs/dbraw/zinc/38/67/69/475386769.db2.gz NMLMIHVONJBUIP-UXBLZVDNSA-N -1 0 337.408 2.973 20 30 EFEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000331772427 475408294 /nfs/dbraw/zinc/40/82/94/475408294.db2.gz NNYXJBBYTPZKLA-UHFFFAOYSA-N -1 0 337.426 2.923 20 30 EFEDRM CC#CCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000345780912 475445966 /nfs/dbraw/zinc/44/59/66/475445966.db2.gz ICZCWDCOVUAUPD-UHFFFAOYSA-N -1 0 337.301 2.740 20 30 EFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2cc(C)ccc2C)c1C#N ZINC000361527543 475521836 /nfs/dbraw/zinc/52/18/36/475521836.db2.gz HEOCUZVEUSZMOH-UHFFFAOYSA-N -1 0 347.444 2.545 20 30 EFEDRM Cc1cc2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)c(C)n2n1 ZINC000361530520 475523191 /nfs/dbraw/zinc/52/31/91/475523191.db2.gz KEOVJUHIYJBXPH-ZDUSSCGKSA-N -1 0 342.362 2.779 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccnnc3)c2)c1 ZINC000345904593 475542249 /nfs/dbraw/zinc/54/22/49/475542249.db2.gz MGJLDRSTVYOMEX-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(CC#N)cc2)c1OC ZINC000346018916 475552863 /nfs/dbraw/zinc/55/28/63/475552863.db2.gz CRIXCUGTPRGHHO-UHFFFAOYSA-N -1 0 340.335 2.720 20 30 EFEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000342366500 475590014 /nfs/dbraw/zinc/59/00/14/475590014.db2.gz IRGJHOIWWBABNG-CYBMUJFWSA-N -1 0 329.381 2.822 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccc12 ZINC000342365172 475590052 /nfs/dbraw/zinc/59/00/52/475590052.db2.gz GTWLHRIFNSKWTI-LBPRGKRZSA-N -1 0 330.351 2.643 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000342398665 475595184 /nfs/dbraw/zinc/59/51/84/475595184.db2.gz SCLTZAMKDAJTEX-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000339952272 475636369 /nfs/dbraw/zinc/63/63/69/475636369.db2.gz QIPAVVZUPICTCF-SGTLLEGYSA-N -1 0 342.374 2.919 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000346541635 475642556 /nfs/dbraw/zinc/64/25/56/475642556.db2.gz IEHBFQBUZUMVOB-UHFFFAOYSA-N -1 0 335.363 2.858 20 30 EFEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1cc(C(F)(F)F)ccn1 ZINC000346582104 475677079 /nfs/dbraw/zinc/67/70/79/475677079.db2.gz IBKUQWHRXHGZSZ-SNVBAGLBSA-N -1 0 343.268 2.929 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)cc(C(=O)[O-])c1C ZINC000348477008 475688739 /nfs/dbraw/zinc/68/87/39/475688739.db2.gz POZQLPSDDFNBBB-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(CC#N)cc1 ZINC000340037982 475705332 /nfs/dbraw/zinc/70/53/32/475705332.db2.gz OYPJETTUIJUANF-UHFFFAOYSA-N -1 0 338.392 2.735 20 30 EFEDRM C=CC[C@@H](CC)[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000353155683 475728942 /nfs/dbraw/zinc/72/89/42/475728942.db2.gz UIRBKLPYYFGLQW-MRVPVSSYSA-N -1 0 339.280 2.847 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)cn1 ZINC000358503999 475730377 /nfs/dbraw/zinc/73/03/77/475730377.db2.gz PRPMLTZPOOGPJN-LLVKDONJSA-N -1 0 330.413 2.971 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)cn1 ZINC000358504000 475731524 /nfs/dbraw/zinc/73/15/24/475731524.db2.gz PRPMLTZPOOGPJN-NSHDSACASA-N -1 0 330.413 2.971 20 30 EFEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1C ZINC000361780742 475747043 /nfs/dbraw/zinc/74/70/43/475747043.db2.gz JBYHHGRRYISIDA-LLVKDONJSA-N -1 0 348.428 2.844 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C#N)C(C)C)n2)c1 ZINC000340104900 475762175 /nfs/dbraw/zinc/76/21/75/475762175.db2.gz WYZGXONGJPTQBH-OAHLLOKOSA-N -1 0 326.400 2.979 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1[n-]cnc1C(=O)c1ccccc1)CC2 ZINC000355248232 475776911 /nfs/dbraw/zinc/77/69/11/475776911.db2.gz JSDZVXSXMMDTJW-UHFFFAOYSA-N -1 0 342.358 2.715 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cnnc(-c3ccccc3)c2)[n-]1 ZINC000361914907 475864368 /nfs/dbraw/zinc/86/43/68/475864368.db2.gz SCGJCZGMYUKQQP-UHFFFAOYSA-N -1 0 346.394 2.641 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)nn1CCC#N ZINC000348864687 475876776 /nfs/dbraw/zinc/87/67/76/475876776.db2.gz FJXPGNPXAUPTKC-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CCC#N)CC3CC3)n2)c1 ZINC000343277373 475912350 /nfs/dbraw/zinc/91/23/50/475912350.db2.gz XDEFKLAVNGJVKM-UHFFFAOYSA-N -1 0 342.374 2.791 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355413126 475915676 /nfs/dbraw/zinc/91/56/76/475915676.db2.gz BUNVEXHCBBJPNB-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)nc2)c1 ZINC000349949669 476023825 /nfs/dbraw/zinc/02/38/25/476023825.db2.gz SZYZPXVUFICJHD-UHFFFAOYSA-N -1 0 334.397 2.846 20 30 EFEDRM N#CC(=C([O-])c1cnn2ccncc12)c1nc(-c2ccncc2)cs1 ZINC000338582623 476027283 /nfs/dbraw/zinc/02/72/83/476027283.db2.gz VXHMKGKKQKMUJM-GFCCVEGCSA-N -1 0 346.375 2.738 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000355835027 476064065 /nfs/dbraw/zinc/06/40/65/476064065.db2.gz QLUWAJFXGMKVPM-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355838701 476065125 /nfs/dbraw/zinc/06/51/25/476065125.db2.gz WOFSSDBKGXFCBL-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C ZINC000355836387 476065535 /nfs/dbraw/zinc/06/55/35/476065535.db2.gz AVCKBPRXYXPEII-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000338665360 476096387 /nfs/dbraw/zinc/09/63/87/476096387.db2.gz AUVOTILBENNQOM-GFCCVEGCSA-N -1 0 349.437 2.581 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2occ3c2CCC3)n1 ZINC000353591845 476107358 /nfs/dbraw/zinc/10/73/58/476107358.db2.gz NUYRUTCLXHJEEA-NSHDSACASA-N -1 0 330.365 2.892 20 30 EFEDRM C=CC[C@H](CC)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000343763701 476110710 /nfs/dbraw/zinc/11/07/10/476110710.db2.gz HMTCBLOATWWVKA-NSHDSACASA-N -1 0 330.837 2.796 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000356702138 476122802 /nfs/dbraw/zinc/12/28/02/476122802.db2.gz MTKYUWYFFIRNNN-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nc2ccccc2o1 ZINC000353644944 476150496 /nfs/dbraw/zinc/15/04/96/476150496.db2.gz OEDZFGXCYBXYIK-CQSZACIVSA-N -1 0 343.346 2.958 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCO3)c1 ZINC000359071762 476163406 /nfs/dbraw/zinc/16/34/06/476163406.db2.gz QMXUHFUINBDRMR-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1 ZINC000340634776 476167864 /nfs/dbraw/zinc/16/78/64/476167864.db2.gz WVYUNHPJKMQYRB-UHFFFAOYSA-N -1 0 338.820 2.997 20 30 EFEDRM CN=c1[n-]nc(CC(=O)Nc2ccccc2C#Cc2ccccc2)s1 ZINC000353708657 476207308 /nfs/dbraw/zinc/20/73/08/476207308.db2.gz APHLCKMQQGEKFB-UHFFFAOYSA-N -1 0 348.431 2.583 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)o1 ZINC000344293831 476224089 /nfs/dbraw/zinc/22/40/89/476224089.db2.gz RKXPPRKQNMKKAZ-UHFFFAOYSA-N -1 0 348.277 2.788 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000357094993 476228305 /nfs/dbraw/zinc/22/83/05/476228305.db2.gz ZOPXDSBVXDBQNX-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)nc2OC)n1 ZINC000347291664 476235390 /nfs/dbraw/zinc/23/53/90/476235390.db2.gz BKKCCWNSVVZXDB-NSHDSACASA-N -1 0 345.380 2.522 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC(F)F ZINC000357135657 476256741 /nfs/dbraw/zinc/25/67/41/476256741.db2.gz SKKLCGRKCQXWHA-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000357146504 476262802 /nfs/dbraw/zinc/26/28/02/476262802.db2.gz KEGIWRVCYZOEOJ-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM C=C[C@H](C)NC(=O)N=c1nc(Sc2ccc(OC)cc2)[n-]s1 ZINC000350623158 476269823 /nfs/dbraw/zinc/26/98/23/476269823.db2.gz LFZDXRLMEPXJQS-VIFPVBQESA-N -1 0 336.442 2.816 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000357164415 476271710 /nfs/dbraw/zinc/27/17/10/476271710.db2.gz ABTXZVZCAFLRBZ-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000357178421 476278262 /nfs/dbraw/zinc/27/82/62/476278262.db2.gz XAMUKUYGYFPEBO-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM COc1ccc2nc(C3CC3)cc(C(=O)N=c3[nH][n-]c(C)c3C#N)c2c1 ZINC000357236522 476300306 /nfs/dbraw/zinc/30/03/06/476300306.db2.gz CQNPPTRJIRATCZ-UHFFFAOYSA-N -1 0 347.378 2.698 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C(C)(C)c2ccccc2Br)c1C#N ZINC000357241669 476302291 /nfs/dbraw/zinc/30/22/91/476302291.db2.gz KEIWTXCPSZARFW-UHFFFAOYSA-N -1 0 347.216 2.691 20 30 EFEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000350920713 476313796 /nfs/dbraw/zinc/31/37/96/476313796.db2.gz RTTLADWUNSTOSZ-GXTWGEPZSA-N -1 0 340.431 2.971 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c(Cl)c1 ZINC000357327919 476332517 /nfs/dbraw/zinc/33/25/17/476332517.db2.gz HCMRGASQRQASTK-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000357327774 476332594 /nfs/dbraw/zinc/33/25/94/476332594.db2.gz GIQINVFJJTVZLE-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cnc3ccsc3c2)n[nH]c1C1CC1 ZINC000362658162 476343190 /nfs/dbraw/zinc/34/31/90/476343190.db2.gz PMCVFQGCPSTGOI-UHFFFAOYSA-N -1 0 345.409 2.569 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)n[nH]c1C1CC1 ZINC000362659515 476343584 /nfs/dbraw/zinc/34/35/84/476343584.db2.gz WGNIKXDDNCBAAZ-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000357360251 476345230 /nfs/dbraw/zinc/34/52/30/476345230.db2.gz WDXDCJTYHMWFPQ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F ZINC000357477171 476406321 /nfs/dbraw/zinc/40/63/21/476406321.db2.gz NDHLLEQXFGSNHM-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000357522223 476430339 /nfs/dbraw/zinc/43/03/39/476430339.db2.gz BZTLRMOPMUZEIR-SECBINFHSA-N -1 0 333.442 2.826 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1Cl ZINC000357542248 476443072 /nfs/dbraw/zinc/44/30/72/476443072.db2.gz MACNIMMYAIVHHE-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000362869768 476454084 /nfs/dbraw/zinc/45/40/84/476454084.db2.gz WEAPVZNDVZKEEE-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccoc2CC(N)=O)s1 ZINC000354199165 476496267 /nfs/dbraw/zinc/49/62/67/476496267.db2.gz CQUDTHAINHRTSG-SNVBAGLBSA-N -1 0 331.397 2.551 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2\COc3c(F)cccc3C2=O)c1 ZINC000362987048 476515616 /nfs/dbraw/zinc/51/56/16/476515616.db2.gz UCZVSSGAVJTNOK-KPKJPENVSA-N -1 0 328.295 2.948 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)s[n-]1 ZINC000357699749 476544959 /nfs/dbraw/zinc/54/49/59/476544959.db2.gz VSDUBFMJMXCTLA-VIFPVBQESA-N -1 0 348.403 2.594 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(F)c1 ZINC000357758949 476582997 /nfs/dbraw/zinc/58/29/97/476582997.db2.gz DPXZGSGLTLVLOP-ZDUSSCGKSA-N -1 0 327.315 2.509 20 30 EFEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000354367293 476615621 /nfs/dbraw/zinc/61/56/21/476615621.db2.gz SUNUCYUAAMGTOK-GFCCVEGCSA-N -1 0 337.360 2.992 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)o1 ZINC000361121355 476616372 /nfs/dbraw/zinc/61/63/72/476616372.db2.gz VJYGRFPJQPFVDR-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)o1 ZINC000361131003 476622614 /nfs/dbraw/zinc/62/26/14/476622614.db2.gz HRXKOUNFOZDAPO-UHFFFAOYSA-N -1 0 332.259 2.693 20 30 EFEDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000361133944 476626118 /nfs/dbraw/zinc/62/61/18/476626118.db2.gz APYBJDXBFXFRPC-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C(F)(F)F)c1 ZINC000361135829 476628338 /nfs/dbraw/zinc/62/83/38/476628338.db2.gz NURZWDZKKRUSRL-UHFFFAOYSA-N -1 0 346.286 2.979 20 30 EFEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1ccncn1 ZINC000354455906 476671676 /nfs/dbraw/zinc/67/16/76/476671676.db2.gz BQRXDGOGUYMYHP-JTQLQIEISA-N -1 0 347.128 2.637 20 30 EFEDRM N#CCSc1cccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000370168184 476684428 /nfs/dbraw/zinc/68/44/28/476684428.db2.gz AVTKBWGAQMMDFG-UHFFFAOYSA-N -1 0 336.380 2.735 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCCC(=O)[O-] ZINC000422645662 476729107 /nfs/dbraw/zinc/72/91/07/476729107.db2.gz VNGROGCDGIPVBH-UHFFFAOYSA-N -1 0 346.427 2.800 20 30 EFEDRM C=CCCc1ccccc1NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000422667108 476730203 /nfs/dbraw/zinc/73/02/03/476730203.db2.gz QCRVPTVAGOKDGI-UHFFFAOYSA-N -1 0 344.411 2.503 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nncn3c2)s1 ZINC000430640034 476887780 /nfs/dbraw/zinc/88/77/80/476887780.db2.gz JFCZSYKKHFZTHL-LLVKDONJSA-N -1 0 325.397 2.973 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000430667516 476893941 /nfs/dbraw/zinc/89/39/41/476893941.db2.gz FLPFZRZJIQERBY-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000408502203 476955773 /nfs/dbraw/zinc/95/57/73/476955773.db2.gz ZFKCKGBAPFUBOW-UHFFFAOYSA-N -1 0 327.368 2.766 20 30 EFEDRM C=CCOc1cccnc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000431524974 477045630 /nfs/dbraw/zinc/04/56/30/477045630.db2.gz RQVZVOORWXBMCE-OAHLLOKOSA-N -1 0 340.379 2.553 20 30 EFEDRM C=CCOc1cccnc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000431646959 477066930 /nfs/dbraw/zinc/06/69/30/477066930.db2.gz ZLJFZDZUZKPOFK-UHFFFAOYSA-N -1 0 330.340 2.518 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1C#N ZINC000431659751 477070052 /nfs/dbraw/zinc/07/00/52/477070052.db2.gz HARLIXNTJWNNPO-UHFFFAOYSA-N -1 0 327.731 2.572 20 30 EFEDRM N#CC1(CNC(=O)c2cc(F)cc(Br)c2[O-])CCC1 ZINC000416348523 477139864 /nfs/dbraw/zinc/13/98/64/477139864.db2.gz UMVAHWDXWAYUMG-UHFFFAOYSA-N -1 0 327.153 2.717 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)n1 ZINC000453622223 477255027 /nfs/dbraw/zinc/25/50/27/477255027.db2.gz AFNVFRWKNOOOIT-LLVKDONJSA-N -1 0 346.412 2.896 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2C2CC2)n1 ZINC000453632913 477256913 /nfs/dbraw/zinc/25/69/13/477256913.db2.gz WREKICLMKQPAHY-SNVBAGLBSA-N -1 0 345.380 2.984 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC(C)(C)CC#N)n1 ZINC000457991196 477276918 /nfs/dbraw/zinc/27/69/18/477276918.db2.gz IVZJVBTVLKUQOL-UHFFFAOYSA-N -1 0 330.363 2.695 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCC[NH+](C)C ZINC000458192784 477313418 /nfs/dbraw/zinc/31/34/18/477313418.db2.gz CBOHXOCRPKHVMC-UHFFFAOYSA-N -1 0 339.395 2.765 20 30 EFEDRM C=C(CC)CNC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000454751270 477361246 /nfs/dbraw/zinc/36/12/46/477361246.db2.gz SVWMDBDBTRKLFS-UHFFFAOYSA-N -1 0 332.429 2.647 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)ccc1C#N ZINC000435754958 477365892 /nfs/dbraw/zinc/36/58/92/477365892.db2.gz GLNJXMQEUYTJIW-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)F)c2cccnc12 ZINC000416945454 477381617 /nfs/dbraw/zinc/38/16/17/477381617.db2.gz AAWOEQUVLOHRTC-VIFPVBQESA-N -1 0 341.339 2.880 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C)CC1 ZINC000416947261 477382525 /nfs/dbraw/zinc/38/25/25/477382525.db2.gz XUGHNFNNDAYOJA-AWEZNQCLSA-N -1 0 349.456 2.603 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2cc(C(=O)OC)sc21 ZINC000416957142 477386348 /nfs/dbraw/zinc/38/63/48/477386348.db2.gz KYBAGACEZIBNOD-SNVBAGLBSA-N -1 0 338.410 2.732 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000416957285 477386574 /nfs/dbraw/zinc/38/65/74/477386574.db2.gz NOQWAAZMWIXOBQ-ZETCQYMHSA-N -1 0 337.184 2.735 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424397768 477390451 /nfs/dbraw/zinc/39/04/51/477390451.db2.gz LDYJSKKZUAOFHW-UHFFFAOYSA-N -1 0 329.400 2.757 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000424428935 477403596 /nfs/dbraw/zinc/40/35/96/477403596.db2.gz YNHGVWGWRXIRDQ-MRXNPFEDSA-N -1 0 343.427 2.979 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424477682 477419105 /nfs/dbraw/zinc/41/91/05/477419105.db2.gz WFICKYFKHQTVKK-UHFFFAOYSA-N -1 0 333.388 2.968 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000417147232 477447104 /nfs/dbraw/zinc/44/71/04/477447104.db2.gz ZIVMBICUMPFQDO-OCCSQVGLSA-N -1 0 346.456 2.976 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000424645626 477463981 /nfs/dbraw/zinc/46/39/81/477463981.db2.gz IJGPWVYRPNDHOG-HSZRJFAPSA-N -1 0 336.457 2.591 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000436604780 477532087 /nfs/dbraw/zinc/53/20/87/477532087.db2.gz KDCLBZFWQRZJSW-UHFFFAOYSA-N -1 0 344.392 2.966 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436635929 477540025 /nfs/dbraw/zinc/54/00/25/477540025.db2.gz PNBJKJHETICQPF-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000436812916 477598100 /nfs/dbraw/zinc/59/81/00/477598100.db2.gz YLMVBKODTSFQPO-UHFFFAOYSA-N -1 0 348.355 2.796 20 30 EFEDRM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)nc1 ZINC000436868110 477619236 /nfs/dbraw/zinc/61/92/36/477619236.db2.gz GDSMTBKGZIQBHL-ZDUSSCGKSA-N -1 0 343.770 2.606 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1Cl)C(=O)[O-] ZINC000450535450 477624258 /nfs/dbraw/zinc/62/42/58/477624258.db2.gz NDCLOWDLWCLLSZ-NSHDSACASA-N -1 0 327.764 2.506 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1CC(OCc2ccccc2)C1 ZINC000377093454 477640667 /nfs/dbraw/zinc/64/06/67/477640667.db2.gz QFEMPTMOEFKUDI-UHFFFAOYSA-N -1 0 336.395 2.515 20 30 EFEDRM C=CCc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(OC)c1O ZINC000436966777 477651997 /nfs/dbraw/zinc/65/19/97/477651997.db2.gz NLYXXISECHOHII-XFFZJAGNSA-N -1 0 337.379 2.953 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000425250397 477675122 /nfs/dbraw/zinc/67/51/22/477675122.db2.gz FNLXLUQFXDQWQJ-CYBMUJFWSA-N -1 0 327.327 2.756 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2ccccc2n1C(F)F ZINC000437369371 477700456 /nfs/dbraw/zinc/70/04/56/477700456.db2.gz FBXWIYGQZRQJAE-QMMMGPOBSA-N -1 0 344.277 2.613 20 30 EFEDRM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000437601490 477726158 /nfs/dbraw/zinc/72/61/58/477726158.db2.gz JPSZAFFIBIRSDE-GFCCVEGCSA-N -1 0 325.368 2.963 20 30 EFEDRM CC(C)c1cccc2c1OCC/C(=C\c1cn(CC(=O)[O-])nn1)C2=O ZINC000372287892 477736567 /nfs/dbraw/zinc/73/65/67/477736567.db2.gz MLLQHXWSABWIFP-XYOKQWHBSA-N -1 0 341.367 2.535 20 30 EFEDRM N#CCC1(CNC(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000437831659 477761764 /nfs/dbraw/zinc/76/17/64/477761764.db2.gz CIIQZMJZKMOGLW-UHFFFAOYSA-N -1 0 327.153 2.717 20 30 EFEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427212931 477767673 /nfs/dbraw/zinc/76/76/73/477767673.db2.gz OHKBBYDRJPFQME-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM Cc1csc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000450975563 477781401 /nfs/dbraw/zinc/78/14/01/477781401.db2.gz XMPJADRGIHLEFT-UHFFFAOYSA-N -1 0 337.426 2.935 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000455923503 477785251 /nfs/dbraw/zinc/78/52/51/477785251.db2.gz YGQIDKGCBJBQBK-QGZVFWFLSA-N -1 0 347.411 2.784 20 30 EFEDRM C=CC(C)(C)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000456115000 477794467 /nfs/dbraw/zinc/79/44/67/477794467.db2.gz KDAOSKZBQZVANP-UHFFFAOYSA-N -1 0 330.837 2.654 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC#N)cn1 ZINC000451056268 477804209 /nfs/dbraw/zinc/80/42/09/477804209.db2.gz QFPPNBDXWSJMLQ-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCCCC1 ZINC000451103129 477825363 /nfs/dbraw/zinc/82/53/63/477825363.db2.gz GEHRZAIOSZKUHX-UHFFFAOYSA-N -1 0 327.388 2.833 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCOC4)nc1-2 ZINC000530947063 477893978 /nfs/dbraw/zinc/89/39/78/477893978.db2.gz WVHYDIMYVZWROI-NSHDSACASA-N -1 0 338.392 2.891 20 30 EFEDRM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000532066332 477917890 /nfs/dbraw/zinc/91/78/90/477917890.db2.gz CHCYOUBPVKJROJ-SECBINFHSA-N -1 0 342.392 2.807 20 30 EFEDRM CCC[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1nnn[n-]1 ZINC000532334929 477923609 /nfs/dbraw/zinc/92/36/09/477923609.db2.gz NMRNPWXDJUKSQN-GOSISDBHSA-N -1 0 345.406 2.871 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494230978 477948180 /nfs/dbraw/zinc/94/81/80/477948180.db2.gz OHUBMPQKSKQHMG-UHFFFAOYSA-N -1 0 343.368 2.761 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000439245532 477948772 /nfs/dbraw/zinc/94/87/72/477948772.db2.gz KYBQDMOXZPCSTC-UHFFFAOYSA-N -1 0 338.392 2.949 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000439251392 477950316 /nfs/dbraw/zinc/95/03/16/477950316.db2.gz XCSQVSYVVADPHN-UHFFFAOYSA-N -1 0 329.381 2.603 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)cc1 ZINC000464653417 477956413 /nfs/dbraw/zinc/95/64/13/477956413.db2.gz QQYQQAGELZDVHV-UHFFFAOYSA-N -1 0 339.786 2.858 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC000421233657 478015969 /nfs/dbraw/zinc/01/59/69/478015969.db2.gz OANQGYKILGOUTH-UHFFFAOYSA-N -1 0 341.433 2.976 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCC1 ZINC000516959550 478022676 /nfs/dbraw/zinc/02/26/76/478022676.db2.gz WLTQVRBEFDJVEH-UHFFFAOYSA-N -1 0 345.403 2.505 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000480207888 478024372 /nfs/dbraw/zinc/02/43/72/478024372.db2.gz USWXSHSIYGLESY-UHFFFAOYSA-N -1 0 335.820 2.952 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)nc1C ZINC000487009025 478032353 /nfs/dbraw/zinc/03/23/53/478032353.db2.gz KNFSPQRYSJZHJT-HNNXBMFYSA-N -1 0 347.378 2.971 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1(C#N)CCCCC1 ZINC000517044277 478042803 /nfs/dbraw/zinc/04/28/03/478042803.db2.gz SRVPCBPBEGFFIU-UHFFFAOYSA-N -1 0 325.372 2.898 20 30 EFEDRM CC(C)Cn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(C(F)F)n1 ZINC000451694665 478160457 /nfs/dbraw/zinc/16/04/57/478160457.db2.gz CESCIBWRWUDPHE-UHFFFAOYSA-N -1 0 348.357 2.623 20 30 EFEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429590664 478161582 /nfs/dbraw/zinc/16/15/82/478161582.db2.gz PKXOSKXHIKTTLV-CYBMUJFWSA-N -1 0 334.335 2.543 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000518370220 478163648 /nfs/dbraw/zinc/16/36/48/478163648.db2.gz OTLZVOHDQUFOPN-CQSZACIVSA-N -1 0 331.821 2.525 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000488765357 478181488 /nfs/dbraw/zinc/18/14/88/478181488.db2.gz MBJDXPCUOWHXOM-BQYQJAHWSA-N -1 0 326.381 2.963 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)c3ccccc3C#N)cccc12 ZINC000535053829 478192432 /nfs/dbraw/zinc/19/24/32/478192432.db2.gz FVRJYBQZNAKDKZ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000562063420 478214436 /nfs/dbraw/zinc/21/44/36/478214436.db2.gz BQVDUTDVJYQIIQ-UHFFFAOYSA-N -1 0 330.413 2.724 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000562268951 478223916 /nfs/dbraw/zinc/22/39/16/478223916.db2.gz DMIXTVJBUIUUPO-UHFFFAOYSA-N -1 0 339.351 2.545 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000562406509 478244926 /nfs/dbraw/zinc/24/49/26/478244926.db2.gz PHJOLVQHVLHZFC-KRWDZBQOSA-N -1 0 348.362 2.857 20 30 EFEDRM C=CCN(C(=O)Nc1cccnc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000562407068 478245200 /nfs/dbraw/zinc/24/52/00/478245200.db2.gz CMICSHAHGLMJEG-INIZCTEOSA-N -1 0 325.368 2.797 20 30 EFEDRM CC(=NN=c1ccc(Cl)n[n-]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495720135 478283593 /nfs/dbraw/zinc/28/35/93/478283593.db2.gz LKVBMOBCDOPYFT-LLVKDONJSA-N -1 0 339.827 2.739 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000489962594 478294910 /nfs/dbraw/zinc/29/49/10/478294910.db2.gz PGCFKWOBOYDWMN-INIZCTEOSA-N -1 0 325.324 2.857 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N([C@H](COC)C(=O)[O-])C2CC2)c1 ZINC000520325753 478295854 /nfs/dbraw/zinc/29/58/54/478295854.db2.gz YYQNWOFCHNOSSV-MRXNPFEDSA-N -1 0 348.399 2.737 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597331498 478297321 /nfs/dbraw/zinc/29/73/21/478297321.db2.gz YMQAJINZWWWIPM-ZFWWWQNUSA-N -1 0 348.362 2.840 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)n1 ZINC000597350503 478307002 /nfs/dbraw/zinc/30/70/02/478307002.db2.gz KCHGCTQODCLTNH-OAHLLOKOSA-N -1 0 326.400 2.808 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@](C)(C#N)C2CCCCC2)c1 ZINC000579583132 478331333 /nfs/dbraw/zinc/33/13/33/478331333.db2.gz FCKCDWANWCVQBW-HOYKHHGWSA-N -1 0 348.468 2.782 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)[n-]1 ZINC000590819489 478355246 /nfs/dbraw/zinc/35/52/46/478355246.db2.gz LISGQKBHXSJMBZ-CQSZACIVSA-N -1 0 347.781 2.779 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@@H](c2cccc(C)c2)[C@@H]1C(=O)[O-] ZINC000580513157 478363273 /nfs/dbraw/zinc/36/32/73/478363273.db2.gz ISXVCAZJGPKVHY-JKSUJKDBSA-N -1 0 337.441 2.534 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000580521662 478363409 /nfs/dbraw/zinc/36/34/09/478363409.db2.gz MLRNPEBBJYEQJL-CYBMUJFWSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@@H](c2cccc(C)c2)[C@H]1C(=O)[O-] ZINC000580513155 478363755 /nfs/dbraw/zinc/36/37/55/478363755.db2.gz ISXVCAZJGPKVHY-HOTGVXAUSA-N -1 0 337.441 2.534 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000490687324 478370042 /nfs/dbraw/zinc/37/00/42/478370042.db2.gz GVXPBHQRRXLBFR-AWEZNQCLSA-N -1 0 343.383 2.635 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2c(F)cccc2F)CCC1 ZINC000570506806 478374632 /nfs/dbraw/zinc/37/46/32/478374632.db2.gz JGZWEXZHYWKVIY-UHFFFAOYSA-N -1 0 342.349 2.919 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000581433187 478379434 /nfs/dbraw/zinc/37/94/34/478379434.db2.gz YMNZWGVGOKOTCM-UHFFFAOYSA-N -1 0 349.330 2.744 20 30 EFEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000581378598 478379779 /nfs/dbraw/zinc/37/97/79/478379779.db2.gz ODUCJUFLMYPAMZ-ZDUSSCGKSA-N -1 0 326.404 2.580 20 30 EFEDRM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc(-c2ccccc2)cs1 ZINC000525860025 478397231 /nfs/dbraw/zinc/39/72/31/478397231.db2.gz KSPBUOUPBQRCJW-GFCCVEGCSA-N -1 0 346.375 2.966 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)nn1CCC#N ZINC000594469521 478401023 /nfs/dbraw/zinc/40/10/23/478401023.db2.gz ZWWLDDQZAIHQPF-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n(CCC#N)n1 ZINC000539106344 478401345 /nfs/dbraw/zinc/40/13/45/478401345.db2.gz VSYIVNOFXRIPPN-UHFFFAOYSA-N -1 0 348.428 2.693 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000490916230 478403611 /nfs/dbraw/zinc/40/36/11/478403611.db2.gz RSFSGODFBMABCY-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM Cc1ccc(F)c(NS(=O)(=O)c2ccccc2CC#N)c1C(=O)[O-] ZINC000526997908 478410054 /nfs/dbraw/zinc/41/00/54/478410054.db2.gz RXMRUJXWAZVDPJ-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM CC(C)(C)OC(=O)NCCCN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000495924204 478413428 /nfs/dbraw/zinc/41/34/28/478413428.db2.gz UVMDUSWRHQXLGI-UHFFFAOYSA-N -1 0 325.340 2.836 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000594534391 478428444 /nfs/dbraw/zinc/42/84/44/478428444.db2.gz FUKSEUADAHPMIO-INIZCTEOSA-N -1 0 329.400 2.613 20 30 EFEDRM C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594538304 478429021 /nfs/dbraw/zinc/42/90/21/478429021.db2.gz ORUFBZZMKLXCEA-KNXALSJPSA-N -1 0 341.411 2.719 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1noc2c1COCC2 ZINC000527590923 478437433 /nfs/dbraw/zinc/43/74/33/478437433.db2.gz HALGWMPVIILHEY-LBPRGKRZSA-N -1 0 349.346 2.742 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1ccc(C(F)(F)F)cn1 ZINC000527590927 478437546 /nfs/dbraw/zinc/43/75/46/478437546.db2.gz HFOGVRSYAYUYGD-SECBINFHSA-N -1 0 337.257 2.651 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(F)c2F)n1 ZINC000563134493 478459393 /nfs/dbraw/zinc/45/93/93/478459393.db2.gz DMNAHFDKCPLOGU-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1C#N ZINC000591088387 478460489 /nfs/dbraw/zinc/46/04/89/478460489.db2.gz MHZLWXKIDDLASR-YPMHNXCESA-N -1 0 331.441 2.937 20 30 EFEDRM Cc1cc(NCc2ccc(OCCCC(=O)[O-])cc2)c(C#N)cn1 ZINC000600674586 478463493 /nfs/dbraw/zinc/46/34/93/478463493.db2.gz FKQBTWPZBUMWCD-UHFFFAOYSA-N -1 0 325.368 2.539 20 30 EFEDRM C#CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000491210703 478472634 /nfs/dbraw/zinc/47/26/34/478472634.db2.gz XSKXGLAWWIVCQF-UHFFFAOYSA-N -1 0 327.359 2.735 20 30 EFEDRM CC(C)(C)OC(=O)NCC(C)(C)CN=Nc1ccc(C(=O)[O-])cn1 ZINC000496024815 478488284 /nfs/dbraw/zinc/48/82/84/478488284.db2.gz KEAJYUNGZFMQLF-UHFFFAOYSA-N -1 0 336.392 2.728 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-] ZINC000594691179 478496670 /nfs/dbraw/zinc/49/66/70/478496670.db2.gz QVZAUNMPUDVFFS-HNNXBMFYSA-N -1 0 331.416 2.679 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000591270013 478503384 /nfs/dbraw/zinc/50/33/84/478503384.db2.gz PQKKRQKXIZVZMG-HOTGVXAUSA-N -1 0 329.400 2.723 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000591270015 478504123 /nfs/dbraw/zinc/50/41/23/478504123.db2.gz PQKKRQKXIZVZMG-JKSUJKDBSA-N -1 0 329.400 2.723 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(C#N)n2)c1 ZINC000594723707 478514282 /nfs/dbraw/zinc/51/42/82/478514282.db2.gz IAXVHCRBKLYYPH-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000594728766 478517944 /nfs/dbraw/zinc/51/79/44/478517944.db2.gz GBIWPIVTWBKNDO-UHFFFAOYSA-N -1 0 346.412 2.574 20 30 EFEDRM C#C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000491349554 478518325 /nfs/dbraw/zinc/51/83/25/478518325.db2.gz IWKXLCRCYMCPDJ-NSHDSACASA-N -1 0 346.736 2.588 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NCCCCC(=O)[O-])c2c1 ZINC000591326685 478523001 /nfs/dbraw/zinc/52/30/01/478523001.db2.gz FCUZERFSWYGLAP-UHFFFAOYSA-N -1 0 329.356 2.790 20 30 EFEDRM N#Cc1c(C#N)c2c(nc1NCCCCC(=O)[O-])CCCCCC2 ZINC000591326877 478523509 /nfs/dbraw/zinc/52/35/09/478523509.db2.gz DJZNEQNNZDSPCX-UHFFFAOYSA-N -1 0 326.400 2.573 20 30 EFEDRM C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C(=O)[O-] ZINC000600801436 478526418 /nfs/dbraw/zinc/52/64/18/478526418.db2.gz QDJHLGYFZCHZDO-GWCFXTLKSA-N -1 0 340.339 2.562 20 30 EFEDRM CCOC(=O)c1cc([N-]S(=O)(=O)[C@@H](C#N)CC)ccc1Cl ZINC000591338857 478527576 /nfs/dbraw/zinc/52/75/76/478527576.db2.gz JEFISBRVIJESDX-SNVBAGLBSA-N -1 0 330.793 2.561 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000491386549 478532602 /nfs/dbraw/zinc/53/26/02/478532602.db2.gz VHTIRFGNVOJSPC-SNVBAGLBSA-N -1 0 326.381 2.859 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCCC2(F)F)c(F)c1 ZINC000582222907 478541588 /nfs/dbraw/zinc/54/15/88/478541588.db2.gz YGQPEDGFHUMBII-LLVKDONJSA-N -1 0 332.347 2.801 20 30 EFEDRM N#CC[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000594803829 478545681 /nfs/dbraw/zinc/54/56/81/478545681.db2.gz GMNHCZYJKDWEID-SNVBAGLBSA-N -1 0 348.346 2.725 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000571356596 478577808 /nfs/dbraw/zinc/57/78/08/478577808.db2.gz WGGZPVMRZVOEHZ-OLZOCXBDSA-N -1 0 328.322 2.568 20 30 EFEDRM C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)COC ZINC000597955160 478594490 /nfs/dbraw/zinc/59/44/90/478594490.db2.gz SPKWTERFYXECSJ-SECBINFHSA-N -1 0 328.752 2.617 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(CC#N)CC1 ZINC000541983240 478620993 /nfs/dbraw/zinc/62/09/93/478620993.db2.gz OYQVSOUSQUYYDD-UHFFFAOYSA-N -1 0 349.456 2.604 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000496232191 478625637 /nfs/dbraw/zinc/62/56/37/478625637.db2.gz FHHZORCTBJINSI-HNNXBMFYSA-N -1 0 334.416 2.746 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496236105 478630017 /nfs/dbraw/zinc/63/00/17/478630017.db2.gz VDOCNWOUYJRNMC-KBPBESRZSA-N -1 0 336.388 2.874 20 30 EFEDRM C[C@H]1C[C@@H]1c1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)o1 ZINC000601063463 478636278 /nfs/dbraw/zinc/63/62/78/478636278.db2.gz BHDWEMNXQVUKCW-GUYCJALGSA-N -1 0 333.395 2.948 20 30 EFEDRM C=CCCS(=O)(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000563807888 478637297 /nfs/dbraw/zinc/63/72/97/478637297.db2.gz JHORRHGJNCCRRP-QGZVFWFLSA-N -1 0 347.436 2.579 20 30 EFEDRM C=CCO[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000496374101 478652020 /nfs/dbraw/zinc/65/20/20/478652020.db2.gz BNPVNTWTSRWKFU-AWEZNQCLSA-N -1 0 338.379 2.668 20 30 EFEDRM C#C[C@@H](N=c1nc(CCOC)[n-]s1)c1ccc(Cl)cc1F ZINC000491732332 478652336 /nfs/dbraw/zinc/65/23/36/478652336.db2.gz HTGHNEQHWOCNAQ-GFCCVEGCSA-N -1 0 325.796 2.728 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCC1=NNCC(=O)[O-] ZINC000496425746 478657261 /nfs/dbraw/zinc/65/72/61/478657261.db2.gz SIPQCFVBRKXPRV-JSGCOSHPSA-N -1 0 339.436 2.606 20 30 EFEDRM CC[C@@H](NN=C1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000496653152 478678723 /nfs/dbraw/zinc/67/87/23/478678723.db2.gz ZQUUWBZCSGYQSM-GLGOKHISSA-N -1 0 327.425 2.510 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)c2cc3ccccc3n2CC#N)s[n-]1 ZINC000598191219 478698580 /nfs/dbraw/zinc/69/85/80/478698580.db2.gz MRDXLNUJMASLIJ-UHFFFAOYSA-N -1 0 339.424 2.889 20 30 EFEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000491841969 478705124 /nfs/dbraw/zinc/70/51/24/478705124.db2.gz DJJQADNITREVJR-IWMPZKFUSA-N -1 0 340.404 2.779 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)cc1F)CC(=O)[O-] ZINC000595260584 478705531 /nfs/dbraw/zinc/70/55/31/478705531.db2.gz DVUPAVSSIZJKAK-ZDUSSCGKSA-N -1 0 335.379 2.634 20 30 EFEDRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000595261399 478705627 /nfs/dbraw/zinc/70/56/27/478705627.db2.gz YYWYRLWZPDGNNO-ZDUSSCGKSA-N -1 0 329.400 2.906 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000595261608 478706016 /nfs/dbraw/zinc/70/60/16/478706016.db2.gz YTCYOEYBOMACEC-UHFFFAOYSA-N -1 0 329.400 2.735 20 30 EFEDRM C[C@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000595263416 478706955 /nfs/dbraw/zinc/70/69/55/478706955.db2.gz OUWYGKPAYLKYFU-VBNZEHGJSA-N -1 0 343.427 2.535 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497006384 478718237 /nfs/dbraw/zinc/71/82/37/478718237.db2.gz YTOYGVNBAPEWKU-ZDUSSCGKSA-N -1 0 348.403 2.967 20 30 EFEDRM Cc1ccc(=NN=C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[n-]n1 ZINC000497073704 478724444 /nfs/dbraw/zinc/72/44/44/478724444.db2.gz PZKWSYQDACSEFA-ZIAGYGMSSA-N -1 0 333.436 2.640 20 30 EFEDRM CC(C)(C)OC(=O)NCCCCC=NN=c1ccc(Cl)n[n-]1 ZINC000497089490 478725879 /nfs/dbraw/zinc/72/58/79/478725879.db2.gz LYMAZYNQXHJGNW-UHFFFAOYSA-N -1 0 327.816 2.645 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000564647380 478777007 /nfs/dbraw/zinc/77/70/07/478777007.db2.gz WENWQTZQRLSVKB-UHFFFAOYSA-N -1 0 349.811 2.662 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000583189987 478786440 /nfs/dbraw/zinc/78/64/40/478786440.db2.gz UKCZQUHFFTVQGN-WDEREUQCSA-N -1 0 335.194 2.763 20 30 EFEDRM CC#CC[C@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000543784793 478786757 /nfs/dbraw/zinc/78/67/57/478786757.db2.gz RXJZBAYOPTXOMD-HNNXBMFYSA-N -1 0 337.441 2.519 20 30 EFEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)cc1 ZINC000583213765 478795424 /nfs/dbraw/zinc/79/54/24/478795424.db2.gz FAAUGIAXRNOMOL-LBPRGKRZSA-N -1 0 329.425 2.998 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000572313609 478804776 /nfs/dbraw/zinc/80/47/76/478804776.db2.gz ACTJHAYJRGXNOB-NSHDSACASA-N -1 0 329.443 2.879 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)C(=O)[O-] ZINC000583306924 478819190 /nfs/dbraw/zinc/81/91/90/478819190.db2.gz OPDBONIPFRUSOU-HNNXBMFYSA-N -1 0 345.399 2.829 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC)CCC(=O)[O-])cc1OC ZINC000492121719 478833758 /nfs/dbraw/zinc/83/37/58/478833758.db2.gz YMYIABSFDUQABK-CLFYSBASSA-N -1 0 333.384 2.596 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(Cl)c(C#N)c2)[n-]1 ZINC000544449068 478836957 /nfs/dbraw/zinc/83/69/57/478836957.db2.gz IOCOWEFUZVQBLC-UHFFFAOYSA-N -1 0 327.775 2.709 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)CCCC(=O)[O-])cc1OC ZINC000492156644 478850981 /nfs/dbraw/zinc/85/09/81/478850981.db2.gz QACUOVBWTBKSFO-NTMALXAHSA-N -1 0 333.384 2.596 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000572601135 478876903 /nfs/dbraw/zinc/87/69/03/478876903.db2.gz QLXRVNWDJKXJKE-RHSMWYFYSA-N -1 0 346.427 2.834 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000583553985 478877923 /nfs/dbraw/zinc/87/79/23/478877923.db2.gz VBYVRLZSLRGUBZ-AWEZNQCLSA-N -1 0 338.820 2.629 20 30 EFEDRM CC(C)(C(=O)N=c1[nH][n-]cc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000601637977 478920323 /nfs/dbraw/zinc/92/03/23/478920323.db2.gz CXSGGNNBBCVSMJ-UHFFFAOYSA-N -1 0 338.289 2.518 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C)CCC(=O)[O-])cc1OC ZINC000492350210 478946128 /nfs/dbraw/zinc/94/61/28/478946128.db2.gz PTQDMPDEVXASOY-FNOHHLHBSA-N -1 0 333.384 2.643 20 30 EFEDRM COc1ccccc1C1(C(=O)N=c2[nH][n-]c(C)c2C#N)CCCCC1 ZINC000601679498 478948110 /nfs/dbraw/zinc/94/81/10/478948110.db2.gz KHSIVWVCVYWYMT-UHFFFAOYSA-N -1 0 338.411 2.861 20 30 EFEDRM CC(C)Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000492363401 478951092 /nfs/dbraw/zinc/95/10/92/478951092.db2.gz GPKYPQJAANEHBN-KTKRTIGZSA-N -1 0 334.441 2.648 20 30 EFEDRM Cc1nc2ccccc2c(C)c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000601736419 478976428 /nfs/dbraw/zinc/97/64/28/478976428.db2.gz JRMUTBQTTXKINS-UHFFFAOYSA-N -1 0 331.379 2.998 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000583972521 478980979 /nfs/dbraw/zinc/98/09/79/478980979.db2.gz FZPNXEWFJWFIAT-LLVKDONJSA-N -1 0 344.820 2.839 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000573065584 478981256 /nfs/dbraw/zinc/98/12/56/478981256.db2.gz MWFHAEADBNQGLM-PBHICJAKSA-N -1 0 348.443 2.696 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000528907365 478981867 /nfs/dbraw/zinc/98/18/67/478981867.db2.gz FECNPCFTOBCQMY-UHFFFAOYSA-N -1 0 348.346 2.840 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(OC(F)F)ccc1F ZINC000528922847 478987051 /nfs/dbraw/zinc/98/70/51/478987051.db2.gz CFDNVBNECNZJIO-GFCCVEGCSA-N -1 0 340.301 2.808 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2csnn2)cc1 ZINC000528925608 478988664 /nfs/dbraw/zinc/98/86/64/478988664.db2.gz ZRBUFQDQCWEFME-AWEZNQCLSA-N -1 0 340.408 2.586 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(CSCC)c1)C(=O)[O-] ZINC000584031577 478996960 /nfs/dbraw/zinc/99/69/60/478996960.db2.gz YKZUYFSRXOATGL-AWEZNQCLSA-N -1 0 338.429 2.717 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1C(F)(F)F ZINC000528968903 479005271 /nfs/dbraw/zinc/00/52/71/479005271.db2.gz PEJSILXOLDLCIA-LLVKDONJSA-N -1 0 335.285 2.953 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000528995517 479015197 /nfs/dbraw/zinc/01/51/97/479015197.db2.gz LTPMFIBOINVXFK-UHFFFAOYSA-N -1 0 326.393 2.577 20 30 EFEDRM C=C(C)CNC(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000492753305 479016868 /nfs/dbraw/zinc/01/68/68/479016868.db2.gz QNUGMEVVZHXTIN-PLNGDYQASA-N -1 0 326.190 2.869 20 30 EFEDRM CC(C)Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000492778431 479018350 /nfs/dbraw/zinc/01/83/50/479018350.db2.gz SFQIPFARRUCHEY-FPLPWBNLSA-N -1 0 346.452 2.648 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000492798829 479019316 /nfs/dbraw/zinc/01/93/16/479019316.db2.gz LIINLZKWHAKKHC-DIEDAUMRSA-N -1 0 342.395 2.848 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc3ccccc3c2)CC1 ZINC000492912247 479024983 /nfs/dbraw/zinc/02/49/83/479024983.db2.gz NUNCDTXVADDCJW-SOFGYWHQSA-N -1 0 340.404 2.603 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000492989651 479029021 /nfs/dbraw/zinc/02/90/21/479029021.db2.gz FSBHTTAMRNCMKB-TWGQIWQCSA-N -1 0 336.347 2.868 20 30 EFEDRM CC=CC=CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000493029027 479032108 /nfs/dbraw/zinc/03/21/08/479032108.db2.gz USESCRRIKKMWLW-YNEWZVRMSA-N -1 0 339.395 2.604 20 30 EFEDRM COc1ccc(C2(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)CCC2)cc1 ZINC000514626024 479036326 /nfs/dbraw/zinc/03/63/26/479036326.db2.gz OGIJAMKPHYOKCW-UHFFFAOYSA-N -1 0 336.395 2.650 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cccc(N3CCCC3)c2)[n-]1 ZINC000598816799 479036601 /nfs/dbraw/zinc/03/66/01/479036601.db2.gz ATBIGJZYTMARSV-UHFFFAOYSA-N -1 0 337.427 2.784 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000573309644 479036912 /nfs/dbraw/zinc/03/69/12/479036912.db2.gz ZCVCQXAGQLBXIF-MRXNPFEDSA-N -1 0 348.399 2.785 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000573309643 479037194 /nfs/dbraw/zinc/03/71/94/479037194.db2.gz ZCVCQXAGQLBXIF-INIZCTEOSA-N -1 0 348.399 2.785 20 30 EFEDRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)C1(C)C ZINC000493555857 479056050 /nfs/dbraw/zinc/05/60/50/479056050.db2.gz MWRUIAPPSZYWKC-CVZQOPCLSA-N -1 0 326.462 2.755 20 30 EFEDRM C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000514727390 479057441 /nfs/dbraw/zinc/05/74/41/479057441.db2.gz WIOBHBIGUBEONY-PWSUYJOCSA-N -1 0 335.791 2.981 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1OCC1CC1)C(=O)[O-] ZINC000573420648 479060666 /nfs/dbraw/zinc/06/06/66/479060666.db2.gz BVCOYFHVQPTBTN-OAHLLOKOSA-N -1 0 332.400 2.694 20 30 EFEDRM N#CC[C@]1(O)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000592847034 479071220 /nfs/dbraw/zinc/07/12/20/479071220.db2.gz HXZJBVKLRWEGFA-KRWDZBQOSA-N -1 0 330.771 2.689 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000565749603 479073553 /nfs/dbraw/zinc/07/35/53/479073553.db2.gz RGPQUTVSKWRESS-UHFFFAOYSA-N -1 0 331.184 2.530 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1F ZINC000546859099 479076711 /nfs/dbraw/zinc/07/67/11/479076711.db2.gz GMEUKSBARAUVCN-GFCCVEGCSA-N -1 0 339.305 2.739 20 30 EFEDRM C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000565784429 479079026 /nfs/dbraw/zinc/07/90/26/479079026.db2.gz IWQCXOGLRCEBFE-DZGCQCFKSA-N -1 0 330.436 2.895 20 30 EFEDRM N#CCCn1[n-]c2c(c1=O)SCc1ccc(Br)cc1-2 ZINC000601930944 479079539 /nfs/dbraw/zinc/07/95/39/479079539.db2.gz LEJZEOQYRMUQCO-LBPRGKRZSA-N -1 0 336.214 2.524 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000565878353 479081528 /nfs/dbraw/zinc/08/15/28/479081528.db2.gz SWLJWDBKJXWVOI-PVAVHDDUSA-N -1 0 346.427 2.710 20 30 EFEDRM Cc1[n-]n(-c2nc(-c3ccccn3)nc3c2CCC3)c(=O)c1CCC#N ZINC000601938367 479081498 /nfs/dbraw/zinc/08/14/98/479081498.db2.gz FWTQXESRUYZBRG-ZDUSSCGKSA-N -1 0 346.394 2.670 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000566177656 479087590 /nfs/dbraw/zinc/08/75/90/479087590.db2.gz SAGIMLAFPYAPAH-UHFFFAOYSA-N -1 0 344.458 2.598 20 30 EFEDRM COC[C@H](C)Oc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000596012767 479095810 /nfs/dbraw/zinc/09/58/10/479095810.db2.gz WVTYACMYLZOCCA-SUIFULHWSA-N -1 0 339.395 2.924 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000566775334 479096739 /nfs/dbraw/zinc/09/67/39/479096739.db2.gz JATUXENVHALFHV-GFCCVEGCSA-N -1 0 342.779 2.516 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC000596021498 479097946 /nfs/dbraw/zinc/09/79/46/479097946.db2.gz LGEVOKGWNHBFFI-LURJTMIESA-N -1 0 339.161 2.771 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cccc(C#N)c2)cn1CC1CC1 ZINC000596025122 479099293 /nfs/dbraw/zinc/09/92/93/479099293.db2.gz XZABKDJRINDQSV-UHFFFAOYSA-N -1 0 330.413 2.528 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000567108020 479102283 /nfs/dbraw/zinc/10/22/83/479102283.db2.gz BSTUNALJEJROIA-HNNXBMFYSA-N -1 0 346.408 2.938 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(C)n1 ZINC000601976536 479104784 /nfs/dbraw/zinc/10/47/84/479104784.db2.gz FESARVZVEKQSMZ-UHFFFAOYSA-N -1 0 348.428 2.673 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)nc1 ZINC000601976591 479105428 /nfs/dbraw/zinc/10/54/28/479105428.db2.gz HAHJDWVYCSUKTO-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC(C)Oc1cncc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC000601978668 479106326 /nfs/dbraw/zinc/10/63/26/479106326.db2.gz XPASTLXLWXCULU-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ns1 ZINC000601977015 479106359 /nfs/dbraw/zinc/10/63/59/479106359.db2.gz IEOSZDOSKBWMMZ-UHFFFAOYSA-N -1 0 336.442 2.946 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000601978641 479106391 /nfs/dbraw/zinc/10/63/91/479106391.db2.gz WXJKQVRZUKDCIW-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000601977054 479106859 /nfs/dbraw/zinc/10/68/59/479106859.db2.gz KCARLCQXWILNQO-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601985328 479112503 /nfs/dbraw/zinc/11/25/03/479112503.db2.gz LAYKHHFUZLXMBS-GHMZBOCLSA-N -1 0 336.413 2.879 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1C#N ZINC000596063043 479114863 /nfs/dbraw/zinc/11/48/63/479114863.db2.gz WZWIZQIOCXHDMO-UHFFFAOYSA-N -1 0 331.372 2.722 20 30 EFEDRM C=CCCSCCNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000601993906 479120327 /nfs/dbraw/zinc/12/03/27/479120327.db2.gz OYZBJLQBMTWHTE-OAHLLOKOSA-N -1 0 327.471 2.906 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c(NC(=O)C[C@H](C)CC(=O)[O-])sc2C1 ZINC000601995109 479121762 /nfs/dbraw/zinc/12/17/62/479121762.db2.gz SIDIKEMXQORGCB-UWVGGRQHSA-N -1 0 336.413 2.563 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000602002263 479128539 /nfs/dbraw/zinc/12/85/39/479128539.db2.gz PRDJDLGMIYWKKF-CHWSQXEVSA-N -1 0 337.441 2.805 20 30 EFEDRM N#CC1(c2ccccn2)CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000548812022 479130074 /nfs/dbraw/zinc/13/00/74/479130074.db2.gz GNSCEGYAHCYTSR-UHFFFAOYSA-N -1 0 325.343 2.624 20 30 EFEDRM C=CCSCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000602008723 479134413 /nfs/dbraw/zinc/13/44/13/479134413.db2.gz NHKXGYPJAZDXEU-INIZCTEOSA-N -1 0 325.405 2.594 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000568981528 479134510 /nfs/dbraw/zinc/13/45/10/479134510.db2.gz VQDRPMLBXGHBOQ-UHFFFAOYSA-N -1 0 334.397 2.520 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000549731607 479142828 /nfs/dbraw/zinc/14/28/28/479142828.db2.gz VRXMRZLFHWMPMO-UHFFFAOYSA-N -1 0 333.351 2.804 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C(=O)[O-])C(C)C ZINC000555634696 479165606 /nfs/dbraw/zinc/16/56/06/479165606.db2.gz TUXGWIDRBVJESU-MRXNPFEDSA-N -1 0 339.457 2.894 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000610725282 479167972 /nfs/dbraw/zinc/16/79/72/479167972.db2.gz RTTWOBPNCDKFCN-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000556401943 479169962 /nfs/dbraw/zinc/16/99/62/479169962.db2.gz PBOQQVBJNLPRAB-WBVHZDCISA-N -1 0 341.411 2.775 20 30 EFEDRM CC(C)(C)CC[C@@](C)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000556417128 479170089 /nfs/dbraw/zinc/17/00/89/479170089.db2.gz VJHTUZMGZFDNOA-OAHLLOKOSA-N -1 0 344.477 2.659 20 30 EFEDRM CCn1nncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000556700740 479176476 /nfs/dbraw/zinc/17/64/76/479176476.db2.gz DCCCNQYBVNWADT-VIFPVBQESA-N -1 0 330.298 2.533 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000556709689 479180884 /nfs/dbraw/zinc/18/08/84/479180884.db2.gz UXEDOVVVZTXIGG-IKGGRYGDSA-N -1 0 346.427 2.710 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000556709541 479181019 /nfs/dbraw/zinc/18/10/19/479181019.db2.gz STAKCYCOSYHPPL-CJNGLKHVSA-N -1 0 347.390 2.957 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000556709540 479181210 /nfs/dbraw/zinc/18/12/10/479181210.db2.gz STAKCYCOSYHPPL-BBRMVZONSA-N -1 0 347.390 2.957 20 30 EFEDRM N#Cc1csc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])c1 ZINC000610796101 479190544 /nfs/dbraw/zinc/19/05/44/479190544.db2.gz IXSHLXYLUWPCFW-WAYWQWQTSA-N -1 0 337.360 2.585 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000556800884 479208736 /nfs/dbraw/zinc/20/87/36/479208736.db2.gz GJMCXZMPWJDAHC-UHFFFAOYSA-N -1 0 333.351 2.804 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000569978209 479221330 /nfs/dbraw/zinc/22/13/30/479221330.db2.gz ZUULXDVMOFSYHZ-MRVPVSSYSA-N -1 0 337.319 2.647 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(Br)c1[O-] ZINC000574261906 479252203 /nfs/dbraw/zinc/25/22/03/479252203.db2.gz UAOVEWHJCQQWAK-IINYFYTJSA-N -1 0 340.217 2.866 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)n[nH]c1C(F)(F)F ZINC000611101940 479282829 /nfs/dbraw/zinc/28/28/29/479282829.db2.gz SVHYBYLQJARQJI-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C=CCCSCCN=c1[n-]nc2ccc(Br)cn21 ZINC000596413087 479285223 /nfs/dbraw/zinc/28/52/23/479285223.db2.gz DJGKQXGOLJWTTE-UHFFFAOYSA-N -1 0 327.251 2.635 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(CCC#N)CC2)cc1C#N ZINC000574574046 479311330 /nfs/dbraw/zinc/31/13/30/479311330.db2.gz ADQDQIWEQJNVHZ-UHFFFAOYSA-N -1 0 330.413 2.537 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C#N)s2)c1 ZINC000585729681 479317680 /nfs/dbraw/zinc/31/76/80/479317680.db2.gz AYBJFSSFHNYVEB-UHFFFAOYSA-N -1 0 341.845 2.843 20 30 EFEDRM N#Cc1cc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])ccc1F ZINC000611290490 479339550 /nfs/dbraw/zinc/33/95/50/479339550.db2.gz UNKRBJJKSLRHQI-SOFGYWHQSA-N -1 0 349.321 2.662 20 30 EFEDRM CCCCCc1n[n-]c(=NC(=O)NCCc2ccc(C#N)cc2)s1 ZINC000596645639 479370519 /nfs/dbraw/zinc/37/05/19/479370519.db2.gz GJHIGYLUWNSLJH-UHFFFAOYSA-N -1 0 343.456 2.929 20 30 EFEDRM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)s1 ZINC000611437627 479380400 /nfs/dbraw/zinc/38/04/00/479380400.db2.gz NYVTUNMKOGLEGD-SNVBAGLBSA-N -1 0 349.437 2.618 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000611437632 479380637 /nfs/dbraw/zinc/38/06/37/479380637.db2.gz VXWJZYNNSXRLJI-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2conc2C(C)C)n1 ZINC000599724501 479407845 /nfs/dbraw/zinc/40/78/45/479407845.db2.gz JBXSNHNCZPGULN-VIFPVBQESA-N -1 0 333.369 2.921 20 30 EFEDRM N#Cc1ccsc1NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000603750085 479424953 /nfs/dbraw/zinc/42/49/53/479424953.db2.gz AZYOMXWURFINII-UHFFFAOYSA-N -1 0 333.804 2.916 20 30 EFEDRM C[C@](CNC(=O)NCC1CCC(C#N)CC1)(C(=O)[O-])c1ccccc1 ZINC000593698959 479427937 /nfs/dbraw/zinc/42/79/37/479427937.db2.gz VMSJDCKPNHDOML-JFIBYHEFSA-N -1 0 343.427 2.658 20 30 EFEDRM C=CCCSCCNC(=O)N=c1nc(SCCC)[n-]s1 ZINC000596794755 479429902 /nfs/dbraw/zinc/42/99/02/479429902.db2.gz URDCWVAETLBUHH-UHFFFAOYSA-N -1 0 332.520 2.893 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000588769606 479439966 /nfs/dbraw/zinc/43/99/66/479439966.db2.gz WQNWZYNBCFFASK-GFCCVEGCSA-N -1 0 326.787 2.903 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000575815943 479480603 /nfs/dbraw/zinc/48/06/03/479480603.db2.gz LCPDUMAHHBIGFP-CQSZACIVSA-N -1 0 344.411 2.940 20 30 EFEDRM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)s1 ZINC000604205256 479486582 /nfs/dbraw/zinc/48/65/82/479486582.db2.gz AOXQKZJVMJNUAB-SNVBAGLBSA-N -1 0 349.437 2.618 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)n1 ZINC000589428596 479522427 /nfs/dbraw/zinc/52/24/27/479522427.db2.gz DHHIUIODXPRFCC-UHFFFAOYSA-N -1 0 343.433 2.682 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c1 ZINC000589585970 479541923 /nfs/dbraw/zinc/54/19/23/479541923.db2.gz ZHTGPXKISOZMGB-UHFFFAOYSA-N -1 0 330.344 2.569 20 30 EFEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589590832 479542939 /nfs/dbraw/zinc/54/29/39/479542939.db2.gz CCOARVFZXUPCPF-UHFFFAOYSA-N -1 0 344.352 2.505 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000589585685 479542953 /nfs/dbraw/zinc/54/29/53/479542953.db2.gz MVNASBFUTMIDIQ-UHFFFAOYSA-N -1 0 336.442 2.748 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000612036501 479556080 /nfs/dbraw/zinc/55/60/80/479556080.db2.gz CVYGCSNOCCXBGI-INIZCTEOSA-N -1 0 327.413 2.785 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000612036900 479556508 /nfs/dbraw/zinc/55/65/08/479556508.db2.gz XMCRMKXIDNNMIN-MRXNPFEDSA-N -1 0 327.413 2.785 20 30 EFEDRM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618743468 479576090 /nfs/dbraw/zinc/57/60/90/479576090.db2.gz QAWPVBTWIAQWDN-AWEZNQCLSA-N -1 0 341.440 2.983 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618743443 479576104 /nfs/dbraw/zinc/57/61/04/479576104.db2.gz IZXNKAAKWICKHD-AWEZNQCLSA-N -1 0 341.440 2.839 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618743444 479576141 /nfs/dbraw/zinc/57/61/41/479576141.db2.gz IZXNKAAKWICKHD-CQSZACIVSA-N -1 0 341.440 2.839 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618744283 479576241 /nfs/dbraw/zinc/57/62/41/479576241.db2.gz MXWPUPPCXUHKJI-CYBMUJFWSA-N -1 0 327.413 2.593 20 30 EFEDRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618750045 479580264 /nfs/dbraw/zinc/58/02/64/479580264.db2.gz ZSVFPLDRILZNQE-CYBMUJFWSA-N -1 0 341.440 2.938 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000618766246 479585183 /nfs/dbraw/zinc/58/51/83/479585183.db2.gz MJVOAXPZGOPZLE-LBPRGKRZSA-N -1 0 347.300 2.598 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C#N)c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000577995172 479600108 /nfs/dbraw/zinc/60/01/08/479600108.db2.gz JOTVEYIRZZRLOY-UHFFFAOYSA-N -1 0 347.426 2.909 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N([C@@H](CC)C(=O)[O-])C1CC1 ZINC000578283060 479604514 /nfs/dbraw/zinc/60/45/14/479604514.db2.gz PLWBVQFUINWZSS-HNNXBMFYSA-N -1 0 332.400 2.789 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@H](c2ccc(C)cc2)[C@@H]1C(=O)[O-] ZINC000578731380 479610292 /nfs/dbraw/zinc/61/02/92/479610292.db2.gz RBZGFNPCEXMMKR-HZPDHXFCSA-N -1 0 337.441 2.534 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2CCC(C)C)ccc1C#N ZINC000578876698 479624895 /nfs/dbraw/zinc/62/48/95/479624895.db2.gz LCFOPOFEQHLKRZ-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000597248839 479643123 /nfs/dbraw/zinc/64/31/23/479643123.db2.gz GMMYAUXGRSSWMG-SFHVURJKSA-N -1 0 340.383 2.622 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@](C)(C#N)C2)n1 ZINC000612366927 479656592 /nfs/dbraw/zinc/65/65/92/479656592.db2.gz ZKDWOKQDFZNDTH-SFHVURJKSA-N -1 0 342.374 2.791 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@](C)(C#N)C2)n1 ZINC000612397363 479664066 /nfs/dbraw/zinc/66/40/66/479664066.db2.gz JHRWOPBNSPBUEM-IBGZPJMESA-N -1 0 338.411 2.906 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)OCC ZINC000579128772 479665399 /nfs/dbraw/zinc/66/53/99/479665399.db2.gz GJNCPDRKHNEVAW-CQSZACIVSA-N -1 0 330.388 2.796 20 30 EFEDRM C=CCCOCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621554095 479696774 /nfs/dbraw/zinc/69/67/74/479696774.db2.gz WJGQEJWJUPHNES-UHFFFAOYSA-N -1 0 347.289 2.857 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@](F)(C#N)C3)n2)c1 ZINC000615932924 479788359 /nfs/dbraw/zinc/78/83/59/479788359.db2.gz UTENTOPBENDVHK-SFHVURJKSA-N -1 0 342.374 2.779 20 30 EFEDRM C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1cccc(C#N)c1 ZINC000615981643 479800227 /nfs/dbraw/zinc/80/02/27/479800227.db2.gz IUXSJZHFSZOMKX-SECBINFHSA-N -1 0 335.289 2.672 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462189 479800201 /nfs/dbraw/zinc/80/02/01/479800201.db2.gz MXSCGLCFPSVLRS-UHFFFAOYSA-N -1 0 346.408 2.579 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463248 479801201 /nfs/dbraw/zinc/80/12/01/479801201.db2.gz YLHWOLCGEFQPCU-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619462956 479801211 /nfs/dbraw/zinc/80/12/11/479801211.db2.gz HPAJYJNPJGJWOL-UHFFFAOYSA-N -1 0 345.424 2.983 20 30 EFEDRM CC(C)Cc1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619464034 479801473 /nfs/dbraw/zinc/80/14/73/479801473.db2.gz IMWQKKWRJZOAKH-UHFFFAOYSA-N -1 0 330.413 2.542 20 30 EFEDRM C=CCOc1ccc(CN=c2[n-]nc([C@@H]3CCCO3)s2)cc1OC ZINC000630961337 479803265 /nfs/dbraw/zinc/80/32/65/479803265.db2.gz OOEIMVGVBGKNRU-AWEZNQCLSA-N -1 0 347.440 2.997 20 30 EFEDRM C=CCC[C@@H](NC(=O)N=c1ccc(C(=O)OC)n[n-]1)c1ccccc1 ZINC000619634822 479846290 /nfs/dbraw/zinc/84/62/90/479846290.db2.gz NVKOLRRTXUDKEL-CQSZACIVSA-N -1 0 340.383 2.514 20 30 EFEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)cc1F)CCC2 ZINC000616248939 479861339 /nfs/dbraw/zinc/86/13/39/479861339.db2.gz QMCIGMYJUFSJJX-UHFFFAOYSA-N -1 0 346.383 2.995 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC000609637179 480192061 /nfs/dbraw/zinc/19/20/61/480192061.db2.gz GFEHZCSORRETND-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000629334266 480222412 /nfs/dbraw/zinc/22/24/12/480222412.db2.gz NMVFJOUPXFJFAM-CYBMUJFWSA-N -1 0 337.441 2.636 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000629334256 480222424 /nfs/dbraw/zinc/22/24/24/480222424.db2.gz MPXAYWVYKVRPRX-SNVBAGLBSA-N -1 0 329.805 2.625 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610056075 480233164 /nfs/dbraw/zinc/23/31/64/480233164.db2.gz GOMKLPRKARNSEG-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(C#N)c1 ZINC000610366766 480291608 /nfs/dbraw/zinc/29/16/08/480291608.db2.gz WFCKDTICMKICGK-ZDUSSCGKSA-N -1 0 332.363 2.941 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2cc(F)ccc2s1 ZINC000626333100 480316363 /nfs/dbraw/zinc/31/63/63/480316363.db2.gz YMBBFLANUIEFOM-JTQLQIEISA-N -1 0 327.344 2.852 20 30 EFEDRM Cc1ccc(C[C@H]2CCCN(C(=O)N=c3[n-]n(C)cc3C#N)C2)cc1 ZINC000610560407 480336614 /nfs/dbraw/zinc/33/66/14/480336614.db2.gz CBFUPNTWSCPBFN-MRXNPFEDSA-N -1 0 337.427 2.509 20 30 EFEDRM CCSc1ccc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610561042 480336829 /nfs/dbraw/zinc/33/68/29/480336829.db2.gz OHJRTFZMRKTHKE-NSHDSACASA-N -1 0 329.429 2.708 20 30 EFEDRM COc1ccc2cc(CN(C)C(=O)N=c3[n-]n(C)cc3C#N)ccc2c1 ZINC000610560924 480337008 /nfs/dbraw/zinc/33/70/08/480337008.db2.gz BMZFQNHCVNCONH-UHFFFAOYSA-N -1 0 349.394 2.539 20 30 EFEDRM C[C@@H]1C[C@@H]1[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610562135 480337072 /nfs/dbraw/zinc/33/70/72/480337072.db2.gz XRTMNHXHSFFJLG-WKPIXPDZSA-N -1 0 343.818 2.886 20 30 EFEDRM COc1ccccc1[C@@H](CC(C)C)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610561062 480337523 /nfs/dbraw/zinc/33/75/23/480337523.db2.gz CVABSDIJYXBIDC-OAHLLOKOSA-N -1 0 341.415 2.631 20 30 EFEDRM CCc1oc2ccccc2c1CN(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562242 480338043 /nfs/dbraw/zinc/33/80/43/480338043.db2.gz LQLUTCGACAIDOG-UHFFFAOYSA-N -1 0 337.383 2.686 20 30 EFEDRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)o1 ZINC000610564858 480338243 /nfs/dbraw/zinc/33/82/43/480338243.db2.gz MMRJCUGXRQHMRK-XHDPSFHLSA-N -1 0 339.399 2.627 20 30 EFEDRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563364 480338583 /nfs/dbraw/zinc/33/85/83/480338583.db2.gz AZNJEWJLIYGKDB-DLBZAZTESA-N -1 0 337.427 2.904 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC(C)(C)c2ccc(F)cc2Cl)[n-]1 ZINC000610565263 480338648 /nfs/dbraw/zinc/33/86/48/480338648.db2.gz RHZCPAAGJDNPKS-UHFFFAOYSA-N -1 0 349.797 2.605 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)[n-]1 ZINC000610584948 480344924 /nfs/dbraw/zinc/34/49/24/480344924.db2.gz RPOVXLPQGZCVEN-LJQANCHMSA-N -1 0 337.427 2.590 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)[n-]1 ZINC000610674759 480360975 /nfs/dbraw/zinc/36/09/75/480360975.db2.gz KWFQZGBYDUJXOR-QGZVFWFLSA-N -1 0 349.369 2.764 20 30 EFEDRM CCC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(F)cc1F ZINC000610718317 480372780 /nfs/dbraw/zinc/37/27/80/480372780.db2.gz PTOLNYXNZRSTDP-CQSZACIVSA-N -1 0 333.342 2.655 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nccc(-c2ccccc2OC)n1 ZINC000634664235 480414301 /nfs/dbraw/zinc/41/43/01/480414301.db2.gz VDHHHLLYGJKLAY-UHFFFAOYSA-N -1 0 333.413 2.860 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC000630104481 480544593 /nfs/dbraw/zinc/54/45/93/480544593.db2.gz MQRMESVSGAKWSF-IRUJWGPZSA-N -1 0 343.832 2.794 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc(C)c1Br)C(=O)[O-] ZINC000630181712 480594480 /nfs/dbraw/zinc/59/44/80/480594480.db2.gz LETWFTFOXYURKD-GFCCVEGCSA-N -1 0 340.217 2.836 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccccc2C)CCCC1)C(=O)[O-] ZINC000630186980 480597538 /nfs/dbraw/zinc/59/75/38/480597538.db2.gz FWVOTENTZFSFHK-MRXNPFEDSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245028 480630725 /nfs/dbraw/zinc/63/07/25/480630725.db2.gz FNPANZQSINAIAA-NSHDSACASA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCC1(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC000634928552 480641342 /nfs/dbraw/zinc/64/13/42/480641342.db2.gz POBHSBYMEZGQHW-GOSISDBHSA-N -1 0 331.412 2.661 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000630317785 480668789 /nfs/dbraw/zinc/66/87/89/480668789.db2.gz AEZCCSAMHLQEGZ-WCQYABFASA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000630318808 480668820 /nfs/dbraw/zinc/66/88/20/480668820.db2.gz LYTSECLSIHZVNW-LBPRGKRZSA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000630318807 480669073 /nfs/dbraw/zinc/66/90/73/480669073.db2.gz LYTSECLSIHZVNW-GFCCVEGCSA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000630321296 480669762 /nfs/dbraw/zinc/66/97/62/480669762.db2.gz HGZKWAWYWQJYME-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000630321337 480669903 /nfs/dbraw/zinc/66/99/03/480669903.db2.gz HWOLZRYNWPWEJQ-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000630320120 480669908 /nfs/dbraw/zinc/66/99/08/480669908.db2.gz PFAJADSDNOFJIZ-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000630321336 480670062 /nfs/dbraw/zinc/67/00/62/480670062.db2.gz HWOLZRYNWPWEJQ-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322162 480670509 /nfs/dbraw/zinc/67/05/09/480670509.db2.gz QCYGBJRWWAIDIH-HOCLYGCPSA-N -1 0 334.416 2.606 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630322420 480670564 /nfs/dbraw/zinc/67/05/64/480670564.db2.gz SBNBJVCAPHNAEN-GUYCJALGSA-N -1 0 326.396 2.949 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000630324528 480671672 /nfs/dbraw/zinc/67/16/72/480671672.db2.gz FLLBPWBTYBUWHE-BXKDBHETSA-N -1 0 329.755 2.782 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C(=O)[O-] ZINC000630327072 480673064 /nfs/dbraw/zinc/67/30/64/480673064.db2.gz WCTYJHVUMWTMFH-HNNXBMFYSA-N -1 0 346.427 2.612 20 30 EFEDRM C=C(C)C[C@H](NC(=O)NC[C@@H]1CC[C@H](c2ccccc2)O1)C(=O)[O-] ZINC000630482262 480739958 /nfs/dbraw/zinc/73/99/58/480739958.db2.gz YQNJBLVHVRXKOZ-HRCADAONSA-N -1 0 332.400 2.625 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)c1 ZINC000630559995 480780314 /nfs/dbraw/zinc/78/03/14/480780314.db2.gz GSLUHUSXZSXIHU-GOSISDBHSA-N -1 0 348.399 2.597 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)CCCCCC(=O)[O-])c1 ZINC000645957242 480989125 /nfs/dbraw/zinc/98/91/25/480989125.db2.gz CZHGVVQGXAYQPK-UHFFFAOYSA-N -1 0 327.402 2.638 20 30 EFEDRM N#CC(=C([O-])c1coc(-c2cccnc2)n1)c1nnc2n1CCCCC2 ZINC000659054277 481196692 /nfs/dbraw/zinc/19/66/92/481196692.db2.gz XZFLDEARPFRCCT-ZDUSSCGKSA-N -1 0 348.366 2.545 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000659108167 481205807 /nfs/dbraw/zinc/20/58/07/481205807.db2.gz KDUKZPBRDZADHD-LLVKDONJSA-N -1 0 326.381 2.964 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1c(C)nc([C@H](C)CC)nc1C)C(=O)[O-] ZINC000653472348 481270970 /nfs/dbraw/zinc/27/09/70/481270970.db2.gz MZOZOXYRVMEJLG-ABAIWWIYSA-N -1 0 333.432 2.685 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000659228045 481289062 /nfs/dbraw/zinc/28/90/62/481289062.db2.gz HWHPPDJPOKKKKQ-GASCZTMLSA-N -1 0 345.395 2.872 20 30 EFEDRM C=CCCOCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000653651858 481387206 /nfs/dbraw/zinc/38/72/06/481387206.db2.gz TVPFKVMNGSKVJC-UHFFFAOYSA-N -1 0 331.412 2.759 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000653658064 481391376 /nfs/dbraw/zinc/39/13/76/481391376.db2.gz QKVCASQEJBJPBB-CQSZACIVSA-N -1 0 337.803 2.534 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000648344989 481477301 /nfs/dbraw/zinc/47/73/01/481477301.db2.gz AGQXDJVYWBROAK-LBPRGKRZSA-N -1 0 326.780 2.671 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)co1 ZINC000643778017 481587460 /nfs/dbraw/zinc/58/74/60/481587460.db2.gz XZMILCOERXYIJY-VIFPVBQESA-N -1 0 325.246 2.977 20 30 EFEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643777200 481587550 /nfs/dbraw/zinc/58/75/50/481587550.db2.gz YTVWIBKWQZYLGC-LLVKDONJSA-N -1 0 345.284 2.942 20 30 EFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)C(=O)[O-] ZINC000647138334 481659902 /nfs/dbraw/zinc/65/99/02/481659902.db2.gz RSYCEPNAPXKMPY-VIFPVBQESA-N -1 0 344.180 2.824 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000647406672 481806080 /nfs/dbraw/zinc/80/60/80/481806080.db2.gz WXXFEOYXNALLLB-CZUORRHYSA-N -1 0 328.416 2.921 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663077983 482059711 /nfs/dbraw/zinc/05/97/11/482059711.db2.gz FVMKIQLVOWWXLO-ZDUSSCGKSA-N -1 0 333.388 2.680 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3scc4c3OCCO4)nc1-2 ZINC000654980837 482116944 /nfs/dbraw/zinc/11/69/44/482116944.db2.gz VIAPNHGFSYMYFX-VIFPVBQESA-N -1 0 340.364 2.589 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)C(=O)[O-] ZINC000649533449 482118468 /nfs/dbraw/zinc/11/84/68/482118468.db2.gz GWWOKKBDRDATNS-PMPSAXMXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(OC)c1)C(=O)[O-] ZINC000663243191 482135265 /nfs/dbraw/zinc/13/52/65/482135265.db2.gz FBUDDPXRQQKZQZ-SNVBAGLBSA-N -1 0 344.314 2.838 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663294387 482152532 /nfs/dbraw/zinc/15/25/32/482152532.db2.gz PQYCAYNGDPJOGL-LLVKDONJSA-N -1 0 338.212 2.615 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663293405 482152648 /nfs/dbraw/zinc/15/26/48/482152648.db2.gz GKEMTLKKHARDHE-LLVKDONJSA-N -1 0 338.212 2.615 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000652372599 482201193 /nfs/dbraw/zinc/20/11/93/482201193.db2.gz ZKXWWDHRWABGAR-NSHDSACASA-N -1 0 349.740 2.515 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663426858 482227750 /nfs/dbraw/zinc/22/77/50/482227750.db2.gz FSBHUDZAJPMBOJ-NWDGAFQWSA-N -1 0 327.402 2.699 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N(CCC#N)CC(C)(C)C)cc2=O)cc1 ZINC000172782794 534237034 /nfs/dbraw/zinc/23/70/34/534237034.db2.gz OBTPWVQZWDKQBX-UHFFFAOYSA-N -1 0 340.427 2.876 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C#N ZINC000263134202 519780718 /nfs/dbraw/zinc/78/07/18/519780718.db2.gz YTNYZWBAUQYHJH-QGZVFWFLSA-N -1 0 331.372 2.674 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194031839 520869724 /nfs/dbraw/zinc/86/97/24/520869724.db2.gz KSPNZJJJNZIRNX-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195445553 520907649 /nfs/dbraw/zinc/90/76/49/520907649.db2.gz SMYDOUJYKHGKGQ-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000048556227 520921517 /nfs/dbraw/zinc/92/15/17/520921517.db2.gz CPAWRZRWLOLZQO-UHFFFAOYSA-N -1 0 327.450 2.950 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000414341244 534552280 /nfs/dbraw/zinc/55/22/80/534552280.db2.gz KZHMTSDJAUFDOE-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000181067477 521434948 /nfs/dbraw/zinc/43/49/48/521434948.db2.gz ICWVNUDJDUSOTH-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM C=CCC(CC=C)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000373558655 534566610 /nfs/dbraw/zinc/56/66/10/534566610.db2.gz CLBXLPFKSASVOR-UHFFFAOYSA-N -1 0 339.395 2.955 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936556 521749189 /nfs/dbraw/zinc/74/91/89/521749189.db2.gz DTPBOWYYWRYWGL-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM C=CCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC000425244232 534590334 /nfs/dbraw/zinc/59/03/34/534590334.db2.gz RSQGZXPDPRNWTJ-SFHVURJKSA-N -1 0 331.412 2.518 20 30 EFEDRM COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000055648851 524040220 /nfs/dbraw/zinc/04/02/20/524040220.db2.gz DGNMAJBNVOWAEH-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000067116671 524057826 /nfs/dbraw/zinc/05/78/26/524057826.db2.gz MIRCFLYDTBNVHI-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120482425 524160771 /nfs/dbraw/zinc/16/07/71/524160771.db2.gz DALHCUIVAUMXKS-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1ccc(C)c(OCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000063092682 524174188 /nfs/dbraw/zinc/17/41/88/524174188.db2.gz JSEXLGBLTLUHKY-UHFFFAOYSA-N -1 0 337.383 2.958 20 30 EFEDRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)c2cccnc2)c(C)c1 ZINC000042321989 524307914 /nfs/dbraw/zinc/30/79/14/524307914.db2.gz GKCIAYAQEMXQDA-UHFFFAOYSA-N -1 0 334.397 2.731 20 30 EFEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)ccc2O1 ZINC000183395121 524982010 /nfs/dbraw/zinc/98/20/10/524982010.db2.gz FFFDUYXVRXBJAX-JTQLQIEISA-N -1 0 332.356 2.822 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1OC ZINC000183395323 525084775 /nfs/dbraw/zinc/08/47/75/525084775.db2.gz YWCJNVUHCSSQLX-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000076839208 525572365 /nfs/dbraw/zinc/57/23/65/525572365.db2.gz NEJGHWBTNWYKOY-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000262918166 534879909 /nfs/dbraw/zinc/87/99/09/534879909.db2.gz FYXJLOVNFNQFOU-LBPRGKRZSA-N -1 0 343.832 2.838 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000263013836 534880443 /nfs/dbraw/zinc/88/04/43/534880443.db2.gz NHFOVCBQVIKQBK-ZDUSSCGKSA-N -1 0 349.408 2.604 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000263135416 534880768 /nfs/dbraw/zinc/88/07/68/534880768.db2.gz WFEPEWNRWRDQFS-ZDUSSCGKSA-N -1 0 331.368 2.744 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000263044080 525814238 /nfs/dbraw/zinc/81/42/38/525814238.db2.gz DINXEULOWMHAOL-QGZVFWFLSA-N -1 0 332.425 2.505 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177479275 525954993 /nfs/dbraw/zinc/95/49/93/525954993.db2.gz ASHUMZAJJXRCAE-IUODEOHRSA-N -1 0 336.347 2.541 20 30 EFEDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000182944994 534904463 /nfs/dbraw/zinc/90/44/63/534904463.db2.gz SSERMWPRBFAVTN-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccc(C)cc2C)cc1C#N ZINC000065620702 526214842 /nfs/dbraw/zinc/21/48/42/526214842.db2.gz HMPKKTNDRXTBPI-UHFFFAOYSA-N -1 0 341.436 2.970 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C#N ZINC000180705526 526526773 /nfs/dbraw/zinc/52/67/73/526526773.db2.gz XUGQNPFSTRSVAF-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1 ZINC000048491354 526547208 /nfs/dbraw/zinc/54/72/08/526547208.db2.gz LTVRRUCGKLGKGZ-SREVYHEPSA-N -1 0 331.353 2.522 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000262984405 526630774 /nfs/dbraw/zinc/63/07/74/526630774.db2.gz NQOPIRYUNLTYPW-YQQAZPJKSA-N -1 0 344.436 2.503 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000177994927 526633209 /nfs/dbraw/zinc/63/32/09/526633209.db2.gz FJJXECZMKCASDL-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(Cl)c1 ZINC000183010110 526683201 /nfs/dbraw/zinc/68/32/01/526683201.db2.gz PXSVMXMRJLXJHZ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000181118375 526683921 /nfs/dbraw/zinc/68/39/21/526683921.db2.gz LWVDLUIUUMMCLH-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cn1 ZINC000195446265 526684022 /nfs/dbraw/zinc/68/40/22/526684022.db2.gz XMWMVYLFHWOSTI-UHFFFAOYSA-N -1 0 343.408 2.681 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)[n-]c1C#N ZINC000077612886 526787085 /nfs/dbraw/zinc/78/70/85/526787085.db2.gz RJDDPLJKJBJSMH-SFYZADRCSA-N -1 0 329.722 2.688 20 30 EFEDRM C=CC1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)CCC)CC1 ZINC000110968737 526975355 /nfs/dbraw/zinc/97/53/55/526975355.db2.gz AKJRYKQBJQLOGM-UHFFFAOYSA-N -1 0 336.457 2.877 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266471322 535196194 /nfs/dbraw/zinc/19/61/94/535196194.db2.gz ROZZMPPXZZFCDF-UHFFFAOYSA-N -1 0 347.444 2.958 20 30 EFEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354474009 535562930 /nfs/dbraw/zinc/56/29/30/535562930.db2.gz WWJPKGARVCBWDA-CQSZACIVSA-N -1 0 333.351 2.551 20 30 EFEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000343813575 535703260 /nfs/dbraw/zinc/70/32/60/535703260.db2.gz PCCNGFZBWZMBEZ-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM CC[C@](CNC(=O)c1ccc(CC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000262908510 535868712 /nfs/dbraw/zinc/86/87/12/535868712.db2.gz DLFNDJVTVXVXNB-HXUWFJFHSA-N -1 0 336.391 2.915 20 30 EFEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435430762 535979835 /nfs/dbraw/zinc/97/98/35/535979835.db2.gz FLYBZWDATNRKRO-XVKPBYJWSA-N -1 0 326.365 2.875 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)c(C)cc1C ZINC000349286875 536569008 /nfs/dbraw/zinc/56/90/08/536569008.db2.gz SKEQNZOZRXSTGI-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2ccncn2)nc2ccccc21 ZINC000354468720 536597697 /nfs/dbraw/zinc/59/76/97/536597697.db2.gz PJHZUROFEBMVJN-CQSZACIVSA-N -1 0 348.362 2.540 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000349948689 536787489 /nfs/dbraw/zinc/78/74/89/536787489.db2.gz RSMLOKNVDMXFQO-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM COCc1nocc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000425265316 536831954 /nfs/dbraw/zinc/83/19/54/536831954.db2.gz UOSIFJXOEKPHEL-SECBINFHSA-N -1 0 325.246 2.725 20 30 EFEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000194214461 537096689 /nfs/dbraw/zinc/09/66/89/537096689.db2.gz LWFRWTMAFIPSBF-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C=CCCn1cc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)nn1 ZINC000656190629 546716439 /nfs/dbraw/zinc/71/64/39/546716439.db2.gz LCHAWNCYDQXLQV-UHFFFAOYSA-N -1 0 334.807 2.594 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(C)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000656506386 546824484 /nfs/dbraw/zinc/82/44/84/546824484.db2.gz OIZRVTSLLMCDRG-GFCCVEGCSA-N -1 0 346.305 2.791 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccccc1[O-] ZINC000656988528 546996583 /nfs/dbraw/zinc/99/65/83/546996583.db2.gz QJDCWYFRNKLCPN-UHFFFAOYSA-N -1 0 349.456 2.937 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2cc(F)ccc2s1 ZINC000676591473 548503071 /nfs/dbraw/zinc/50/30/71/548503071.db2.gz JNKQKFLGBMXIRD-QMMMGPOBSA-N -1 0 329.312 2.617 20 30 EFEDRM C=CCCOCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000678977456 549029448 /nfs/dbraw/zinc/02/94/48/549029448.db2.gz RNKGMUMTMQHMDX-UHFFFAOYSA-N -1 0 345.317 2.711 20 30 EFEDRM C=CCCOCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000678979918 549030245 /nfs/dbraw/zinc/03/02/45/549030245.db2.gz WPASNZGRXSXFTB-UHFFFAOYSA-N -1 0 329.352 2.834 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678990582 549033485 /nfs/dbraw/zinc/03/34/85/549033485.db2.gz UNEOWTHRABAXCN-MRXNPFEDSA-N -1 0 329.327 2.946 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(CCC(C)C)cc1)C(=O)[O-] ZINC000681557440 549566328 /nfs/dbraw/zinc/56/63/28/549566328.db2.gz ADIWPDAYKLXVGS-OAHLLOKOSA-N -1 0 325.430 2.583 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000681558582 549567200 /nfs/dbraw/zinc/56/72/00/549567200.db2.gz RTUQDBLVEZMUIG-MRXNPFEDSA-N -1 0 331.393 2.661 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1c(CC)cccc1CC)C(=O)[O-] ZINC000681578954 549570676 /nfs/dbraw/zinc/57/06/76/549570676.db2.gz JXTYFVKZLVAZLU-AWEZNQCLSA-N -1 0 325.430 2.509 20 30 EFEDRM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)O1 ZINC000682521361 549756540 /nfs/dbraw/zinc/75/65/40/549756540.db2.gz IVJWCJBVWDDWHF-JKSUJKDBSA-N -1 0 341.388 2.719 20 30 EFEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2C1 ZINC000683689989 549931676 /nfs/dbraw/zinc/93/16/76/549931676.db2.gz WAQNFLDRECDPLF-YPMHNXCESA-N -1 0 339.399 2.607 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000684746282 550088028 /nfs/dbraw/zinc/08/80/28/550088028.db2.gz XRASFZOVKIPLHD-LBPRGKRZSA-N -1 0 346.305 2.791 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000684749514 550088423 /nfs/dbraw/zinc/08/84/23/550088423.db2.gz NRZSOMVNVPALJT-UHFFFAOYSA-N -1 0 348.399 2.739 20 30 EFEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000684836913 550102429 /nfs/dbraw/zinc/10/24/29/550102429.db2.gz FSBMLIJNIVJAFE-CYBMUJFWSA-N -1 0 335.367 2.944 20 30 EFEDRM C=C1CCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)CC1 ZINC000685021361 550127373 /nfs/dbraw/zinc/12/73/73/550127373.db2.gz VXEYFDFKMGUXHE-UHFFFAOYSA-N -1 0 325.368 2.671 20 30 EFEDRM O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCCC1 ZINC000764414333 576455828 /nfs/dbraw/zinc/45/58/28/576455828.db2.gz QWGMZSNDLBZCCJ-GZQZNAIASA-N -1 0 331.372 2.653 20 30 EFEDRM CCOc1nc2sccn2c1C=NNc1ccccc1C(=O)[O-] ZINC000753922864 575359923 /nfs/dbraw/zinc/35/99/23/575359923.db2.gz FLLRDYSEIWKBOY-UHFFFAOYSA-N -1 0 330.369 2.939 20 30 EFEDRM CCCn1nc(C)c(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1C ZINC000755616326 575608941 /nfs/dbraw/zinc/60/89/41/575608941.db2.gz DDOZFFHUTAIQPK-UHFFFAOYSA-N -1 0 341.440 2.791 20 30 EFEDRM [O-]c1nncc(NN=Cc2c(C3CC3)nc3sccn23)c1Cl ZINC000755621253 575609688 /nfs/dbraw/zinc/60/96/88/575609688.db2.gz QQPLNWIBELJDSQ-UHFFFAOYSA-N -1 0 334.792 2.868 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000756093130 575683153 /nfs/dbraw/zinc/68/31/53/575683153.db2.gz HLXXQXAWMBTBRJ-AWEZNQCLSA-N -1 0 339.457 2.671 20 30 EFEDRM C=C(C)[C@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)OCC ZINC000756469931 575743597 /nfs/dbraw/zinc/74/35/97/575743597.db2.gz ILEYTPDRSFFBGN-JSGCOSHPSA-N -1 0 336.413 2.542 20 30 EFEDRM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000756878758 575795816 /nfs/dbraw/zinc/79/58/16/575795816.db2.gz ILVDEOSSQGSQNI-QWRGUYRKSA-N -1 0 333.388 2.752 20 30 EFEDRM CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2OC)c1O ZINC000756898940 575798478 /nfs/dbraw/zinc/79/84/78/575798478.db2.gz IPLSWXNMHYQMNJ-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc([S@@](C)=O)cc1 ZINC000756899020 575798522 /nfs/dbraw/zinc/79/85/22/575798522.db2.gz LRZUWDJSHANOGA-XMMPIXPASA-N -1 0 346.408 2.967 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)cc(OC)c1O ZINC000756899032 575798561 /nfs/dbraw/zinc/79/85/61/575798561.db2.gz MILRQMTXGIXHFQ-UHFFFAOYSA-N -1 0 346.339 2.562 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1 ZINC000757467815 575839884 /nfs/dbraw/zinc/83/98/84/575839884.db2.gz MWHMUUNIROLSLP-CLTKARDFSA-N -1 0 328.320 2.847 20 30 EFEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1)C(=O)[O-] ZINC000757467888 575839915 /nfs/dbraw/zinc/83/99/15/575839915.db2.gz NZHJHFVXUCQXOY-ZRQQLDRUSA-N -1 0 328.320 2.846 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000757924670 575855914 /nfs/dbraw/zinc/85/59/14/575855914.db2.gz JSEMKSFRNXGQAI-INIZCTEOSA-N -1 0 333.347 2.524 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758094133 575859795 /nfs/dbraw/zinc/85/97/95/575859795.db2.gz YRVGNTLRGZVGBY-UHFFFAOYSA-N -1 0 344.396 2.689 20 30 EFEDRM CCc1c(C)sc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1C#N ZINC000758264697 575865212 /nfs/dbraw/zinc/86/52/12/575865212.db2.gz LOQWNFXIMCHMPT-UHFFFAOYSA-N -1 0 347.362 2.886 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000759074297 575884053 /nfs/dbraw/zinc/88/40/53/575884053.db2.gz UGBAHPOFHYDORJ-RQOWECAXSA-N -1 0 326.139 2.566 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)nn1 ZINC000759074309 575884067 /nfs/dbraw/zinc/88/40/67/575884067.db2.gz URDAXYFUIWTPKI-RQOWECAXSA-N -1 0 326.139 2.566 20 30 EFEDRM O=C(/C=C/c1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090695 575884332 /nfs/dbraw/zinc/88/43/32/575884332.db2.gz LIRUGVXGAXYFEH-GQCTYLIASA-N -1 0 327.292 2.968 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](CC)OCC ZINC000759232596 575887358 /nfs/dbraw/zinc/88/73/58/575887358.db2.gz UFYNBEUYIDAGRD-QWHCGFSZSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1CCC1 ZINC000759242954 575887579 /nfs/dbraw/zinc/88/75/79/575887579.db2.gz QOQASMDWPAHWGY-ZDUSSCGKSA-N -1 0 330.384 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C(C)C ZINC000759242094 575887610 /nfs/dbraw/zinc/88/76/10/575887610.db2.gz OAWSXROUPTXKIV-MFKMUULPSA-N -1 0 332.400 2.992 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759430852 575891567 /nfs/dbraw/zinc/89/15/67/575891567.db2.gz GJLDFUZUDOUUDQ-QMMMGPOBSA-N -1 0 334.244 2.831 20 30 EFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)cs1 ZINC000759677484 575919685 /nfs/dbraw/zinc/91/96/85/575919685.db2.gz WRMMUCHKYKSWSL-UHFFFAOYSA-N -1 0 344.776 2.531 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000759713157 575924652 /nfs/dbraw/zinc/92/46/52/575924652.db2.gz IXLDULMFDIGDRU-UHFFFAOYSA-N -1 0 342.267 2.641 20 30 EFEDRM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759712644 575924661 /nfs/dbraw/zinc/92/46/61/575924661.db2.gz DVRNELAEZVZHRE-CYBMUJFWSA-N -1 0 347.440 2.540 20 30 EFEDRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713259 575925045 /nfs/dbraw/zinc/92/50/45/575925045.db2.gz LJLMKCBLQFMQTH-AWEZNQCLSA-N -1 0 333.388 2.752 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759717541 575925583 /nfs/dbraw/zinc/92/55/83/575925583.db2.gz IRMBNEZQVVKUQD-ZDUSSCGKSA-N -1 0 331.372 2.602 20 30 EFEDRM CCON=C([O-])Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000759954886 575961520 /nfs/dbraw/zinc/96/15/20/575961520.db2.gz XSCXSQVZRYWOQH-UHFFFAOYSA-N -1 0 335.414 2.775 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000760105465 575980438 /nfs/dbraw/zinc/98/04/38/575980438.db2.gz ZCJHJPLCFQUNHM-UHFFFAOYSA-N -1 0 344.820 2.525 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cccc(-n2cccn2)c1 ZINC000760231351 575993425 /nfs/dbraw/zinc/99/34/25/575993425.db2.gz LOCWUKAQCGIXJO-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM O=C1C(=N[N-]c2ncc(F)cn2)c2ccccc2N1Cc1ccccc1 ZINC000760262775 575996704 /nfs/dbraw/zinc/99/67/04/575996704.db2.gz ORCRVJXTTMONQI-UHFFFAOYSA-N -1 0 347.353 2.979 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]c1C1CC1 ZINC000760321223 576004837 /nfs/dbraw/zinc/00/48/37/576004837.db2.gz SFKAHCNGQLUUAV-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000760361168 576012243 /nfs/dbraw/zinc/01/22/43/576012243.db2.gz OQRQEUORXLDDEP-UHFFFAOYSA-N -1 0 348.355 2.559 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000760363940 576012548 /nfs/dbraw/zinc/01/25/48/576012548.db2.gz VGCKZWLTKWYDEJ-UHFFFAOYSA-N -1 0 343.404 2.808 20 30 EFEDRM Cn1cnc2cc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)ccc21 ZINC000761200438 576128906 /nfs/dbraw/zinc/12/89/06/576128906.db2.gz LQZPCSQVECMODW-VURMDHGXSA-N -1 0 336.347 2.933 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccccc1 ZINC000761288498 576140623 /nfs/dbraw/zinc/14/06/23/576140623.db2.gz FNGCXIQDTHIAGN-AWEZNQCLSA-N -1 0 347.392 2.638 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000761288837 576140688 /nfs/dbraw/zinc/14/06/88/576140688.db2.gz IEPZJSZQOSNZNO-MRXNPFEDSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC000761289519 576140787 /nfs/dbraw/zinc/14/07/87/576140787.db2.gz TWAYDSFEZAFNEJ-INIZCTEOSA-N -1 0 343.404 2.736 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccccc1 ZINC000761289520 576141017 /nfs/dbraw/zinc/14/10/17/576141017.db2.gz TWAYDSFEZAFNEJ-MRXNPFEDSA-N -1 0 343.404 2.736 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(C(F)(F)F)s2)C(=O)O1 ZINC000761473899 576167481 /nfs/dbraw/zinc/16/74/81/576167481.db2.gz IXPWWXWBFYSPLA-QQHVMHFCSA-N -1 0 330.283 2.995 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(F)c(Cl)c2Cl)c1=O ZINC000761748810 576208307 /nfs/dbraw/zinc/20/83/07/576208307.db2.gz GZMFSYQOIMSLDB-UHFFFAOYSA-N -1 0 333.175 2.564 20 30 EFEDRM CC(=NNc1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000761880486 576224624 /nfs/dbraw/zinc/22/46/24/576224624.db2.gz CEZDPTCZZMDDNV-UHFFFAOYSA-N -1 0 327.157 2.863 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761970082 576235043 /nfs/dbraw/zinc/23/50/43/576235043.db2.gz OUAKRQRMYJATJW-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C#CCCc1noc(-c2cccc(I)c2[O-])n1 ZINC000762020867 576244474 /nfs/dbraw/zinc/24/44/74/576244474.db2.gz CBLARXAKYFHLGU-UHFFFAOYSA-N -1 0 340.120 2.613 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000762023254 576244813 /nfs/dbraw/zinc/24/48/13/576244813.db2.gz UUKKGPNBBWJJOK-UHFFFAOYSA-N -1 0 335.400 2.833 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762023684 576244874 /nfs/dbraw/zinc/24/48/74/576244874.db2.gz GBGIAYBIUOIZSH-SJLPKXTDSA-N -1 0 340.423 2.962 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)COc1ccc(Cl)c2ccccc12 ZINC000762050615 576249464 /nfs/dbraw/zinc/24/94/64/576249464.db2.gz RNYFKTDSBGFORM-UHFFFAOYSA-N -1 0 333.771 2.971 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000762053003 576249939 /nfs/dbraw/zinc/24/99/39/576249939.db2.gz QOKQUWKVLSQYTG-UHFFFAOYSA-N -1 0 347.415 2.628 20 30 EFEDRM O=C([N-]C[C@@H](O)c1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000762388980 576297151 /nfs/dbraw/zinc/29/71/51/576297151.db2.gz WLKQESXGPZDTEO-MRVPVSSYSA-N -1 0 333.203 2.755 20 30 EFEDRM O=C([N-]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000762397771 576298335 /nfs/dbraw/zinc/29/83/35/576298335.db2.gz MRPVJFQNHYVXOK-MRVPVSSYSA-N -1 0 349.202 2.635 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(C#N)s2)ccc1OCC(=O)[O-] ZINC000762448391 576303535 /nfs/dbraw/zinc/30/35/35/576303535.db2.gz WGUSFISQDRSVKE-DJWKRKHSSA-N -1 0 343.360 2.988 20 30 EFEDRM CCc1cccc2c1NC(=O)C2=N[N-]c1nccc(N(CC)CC)n1 ZINC000762616329 576318385 /nfs/dbraw/zinc/31/83/85/576318385.db2.gz BRDKPSSQXKBEBG-UHFFFAOYSA-N -1 0 338.415 2.654 20 30 EFEDRM CC(C)(C)c1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000763027171 576354651 /nfs/dbraw/zinc/35/46/51/576354651.db2.gz AYYUDSBLYPIQEO-UHFFFAOYSA-N -1 0 336.457 2.522 20 30 EFEDRM CCc1csc(-n2cc(C(=O)Nc3cc(C#N)ccc3[O-])cn2)n1 ZINC000763119611 576362681 /nfs/dbraw/zinc/36/26/81/576362681.db2.gz SGXQMSHUIQAASA-UHFFFAOYSA-N -1 0 339.380 2.721 20 30 EFEDRM COC(=O)c1coc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000763173678 576365435 /nfs/dbraw/zinc/36/54/35/576365435.db2.gz BKIQFAQPVYBBHT-PLNGDYQASA-N -1 0 344.319 2.598 20 30 EFEDRM COc1ccc(-c2n[nH]cc2CN=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763369413 576374568 /nfs/dbraw/zinc/37/45/68/576374568.db2.gz UXJVSSPPZNRREQ-UHFFFAOYSA-N -1 0 337.339 2.625 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000763372337 576374625 /nfs/dbraw/zinc/37/46/25/576374625.db2.gz WMQQJXMZFPZCRQ-UHFFFAOYSA-N -1 0 338.367 2.846 20 30 EFEDRM COc1nccnc1[N-]N=C1c2cc(-c3ccccc3)ccc2NC1=O ZINC000763422474 576376937 /nfs/dbraw/zinc/37/69/37/576376937.db2.gz UIEKMQYQPLFNNY-UHFFFAOYSA-N -1 0 345.362 2.921 20 30 EFEDRM CCCCCN1c2ccccc2C(=N[N-]c2nccnc2OC)C1=O ZINC000763422801 576376989 /nfs/dbraw/zinc/37/69/89/576376989.db2.gz UXZDCNSLGOZESQ-UHFFFAOYSA-N -1 0 339.399 2.838 20 30 EFEDRM COc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccc1F ZINC000764064206 576426106 /nfs/dbraw/zinc/42/61/06/576426106.db2.gz UZDKTYZGGXYVED-NSHDSACASA-N -1 0 348.355 2.633 20 30 EFEDRM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1cccc(C(=O)[O-])c1 ZINC000764657420 576486319 /nfs/dbraw/zinc/48/63/19/576486319.db2.gz JJCMEMIEJOBYHA-UHFFFAOYSA-N -1 0 346.408 2.704 20 30 EFEDRM O=C([O-])COc1ccccc1CN=Nc1ncnc2ccsc21 ZINC000764835508 576509854 /nfs/dbraw/zinc/50/98/54/576509854.db2.gz NKPWLBHEMNIKKR-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764841300 576510575 /nfs/dbraw/zinc/51/05/75/576510575.db2.gz QSVAIFQKYHNASU-UHFFFAOYSA-N -1 0 327.344 2.907 20 30 EFEDRM CCN(CCC#N)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000764871252 576515550 /nfs/dbraw/zinc/51/55/50/576515550.db2.gz RXYBXICBJWTDNE-UHFFFAOYSA-N -1 0 345.424 2.587 20 30 EFEDRM CC#CCCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000765473358 577044832 /nfs/dbraw/zinc/04/48/32/577044832.db2.gz FHSOQLAIYTZZNT-UHFFFAOYSA-N -1 0 334.169 2.861 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnn1C1CCCC1 ZINC000766256925 577128388 /nfs/dbraw/zinc/12/83/88/577128388.db2.gz WOJAEQQJKPENEH-INIZCTEOSA-N -1 0 336.395 2.637 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nc1Cl ZINC000766839731 577184515 /nfs/dbraw/zinc/18/45/15/577184515.db2.gz DKEBKYDIZYUFOQ-NSHDSACASA-N -1 0 335.791 2.515 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nc1Cl ZINC000766839730 577184580 /nfs/dbraw/zinc/18/45/80/577184580.db2.gz DKEBKYDIZYUFOQ-LLVKDONJSA-N -1 0 335.791 2.515 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@](C)(CC)CC(=O)[O-])c(OC)c1 ZINC000767051506 577194146 /nfs/dbraw/zinc/19/41/46/577194146.db2.gz LPKBLRRFTANLKU-GOSISDBHSA-N -1 0 335.400 2.562 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1OC ZINC000767077434 577195488 /nfs/dbraw/zinc/19/54/88/577195488.db2.gz PWVKXMAKNSZGJY-HMZQOCAUSA-N -1 0 345.395 2.643 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Br)c(F)c1 ZINC000767762125 577232386 /nfs/dbraw/zinc/23/23/86/577232386.db2.gz SNOHLABZRHGDTE-UHFFFAOYSA-N -1 0 340.156 2.623 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)nn1CCC#N ZINC000768053068 577251746 /nfs/dbraw/zinc/25/17/46/577251746.db2.gz HZLGIIDSZPSIRV-UHFFFAOYSA-N -1 0 342.424 2.834 20 30 EFEDRM CC(=O)Nc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000725857742 577252501 /nfs/dbraw/zinc/25/25/01/577252501.db2.gz BFESOSIMQSEGBH-UHFFFAOYSA-N -1 0 338.392 2.526 20 30 EFEDRM N#CCCCCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000739068843 577260992 /nfs/dbraw/zinc/26/09/92/577260992.db2.gz HXGSMSLLCKOLQP-UHFFFAOYSA-N -1 0 346.774 2.690 20 30 EFEDRM N#CCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000739072987 577263476 /nfs/dbraw/zinc/26/34/76/577263476.db2.gz OCTMGBOQUOAGNX-UHFFFAOYSA-N -1 0 342.326 2.850 20 30 EFEDRM N#C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000739075235 577266407 /nfs/dbraw/zinc/26/64/07/577266407.db2.gz QRLZUSRTEDROCV-MRXNPFEDSA-N -1 0 326.327 2.838 20 30 EFEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1cccc(OCC(=O)[O-])c1 ZINC000768379547 577270159 /nfs/dbraw/zinc/27/01/59/577270159.db2.gz JPMIOEYNQUUUAT-UHFFFAOYSA-N -1 0 344.758 2.906 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)COc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114840 577282206 /nfs/dbraw/zinc/28/22/06/577282206.db2.gz KTUWMOMBHCAYJG-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(F)c1 ZINC000737946993 577303433 /nfs/dbraw/zinc/30/34/33/577303433.db2.gz GADHCYDOQYSGBN-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)nn1 ZINC000768849085 577309473 /nfs/dbraw/zinc/30/94/73/577309473.db2.gz QYWBQBPQUNFVPR-RQOWECAXSA-N -1 0 326.139 2.566 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000769542643 577371482 /nfs/dbraw/zinc/37/14/82/577371482.db2.gz JGCUXHPJKHDKDF-VIHMKRCTSA-N -1 0 347.411 2.889 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCC(=O)c2ccc(Cl)cn2)c1 ZINC000769614648 577375296 /nfs/dbraw/zinc/37/52/96/577375296.db2.gz USPMQSYRPUPONT-UHFFFAOYSA-N -1 0 329.743 2.914 20 30 EFEDRM COc1nc2sccn2c1C=N[N-]c1nc(-c2ccccc2)no1 ZINC000726737588 577382130 /nfs/dbraw/zinc/38/21/30/577382130.db2.gz ALRUMAJIBVDUSW-UHFFFAOYSA-N -1 0 340.368 2.900 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000726732103 577382323 /nfs/dbraw/zinc/38/23/23/577382323.db2.gz AKRKMZVHGBCXEE-MRXNPFEDSA-N -1 0 332.363 2.510 20 30 EFEDRM COC(=O)c1ccc(O)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000726738114 577383022 /nfs/dbraw/zinc/38/30/22/577383022.db2.gz QYLBMVVWKDAKQP-UHFFFAOYSA-N -1 0 348.742 2.976 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CCC[C@@H]1Cc1ccccc1)[n-]c2=O ZINC000769809534 577387017 /nfs/dbraw/zinc/38/70/17/577387017.db2.gz WZMVNLGZJXXTJU-CYBMUJFWSA-N -1 0 336.399 2.880 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(C(C)(C)c2ccccc2)nc1C ZINC000770106499 577402374 /nfs/dbraw/zinc/40/23/74/577402374.db2.gz MPDAZIKQBKICMJ-CYBMUJFWSA-N -1 0 341.436 2.846 20 30 EFEDRM CC(C)Oc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC000770109416 577402516 /nfs/dbraw/zinc/40/25/16/577402516.db2.gz FNZWNJYFCDRUGY-CYBMUJFWSA-N -1 0 349.818 2.903 20 30 EFEDRM Cc1cc(C)n([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738370877 577420442 /nfs/dbraw/zinc/42/04/42/577420442.db2.gz WMUBEMZNSMIWJH-CXAGYDPISA-N -1 0 341.367 2.692 20 30 EFEDRM CCc1nn(C)cc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000770572051 581111621 /nfs/dbraw/zinc/11/16/21/581111621.db2.gz ZYXSNIYTRPBBTG-ALCCZGGFSA-N -1 0 328.368 2.514 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770862412 581142787 /nfs/dbraw/zinc/14/27/87/581142787.db2.gz MRVZGWQWKNUKTC-ZDUSSCGKSA-N -1 0 334.335 2.589 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000770866765 581143554 /nfs/dbraw/zinc/14/35/54/581143554.db2.gz YCYCPQOYAVKCSM-SNVBAGLBSA-N -1 0 327.340 2.979 20 30 EFEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000770872103 581144080 /nfs/dbraw/zinc/14/40/80/581144080.db2.gz RRVDHCFYNGQPPY-HNNXBMFYSA-N -1 0 325.368 2.550 20 30 EFEDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079777 581172435 /nfs/dbraw/zinc/17/24/35/581172435.db2.gz YNJPMHHLOVXZOR-CQSZACIVSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)CCC2)c1 ZINC000771081363 581172812 /nfs/dbraw/zinc/17/28/12/581172812.db2.gz WTBXSQCVWVCHJE-UHFFFAOYSA-N -1 0 346.452 2.557 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000771081893 581173033 /nfs/dbraw/zinc/17/30/33/581173033.db2.gz UQAFYQZGTCNJTN-RRFJBIMHSA-N -1 0 338.473 2.733 20 30 EFEDRM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000771438403 581211877 /nfs/dbraw/zinc/21/18/77/581211877.db2.gz RZPJTRDMFLOCQP-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM C#CC[N@@H+](CC(=O)[N-]OCc1ccccc1)[C@H]1CCc2ccccc21 ZINC000772175390 581292183 /nfs/dbraw/zinc/29/21/83/581292183.db2.gz MDMLJCAZXQRBOT-FQEVSTJZSA-N -1 0 334.419 2.857 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccco1 ZINC000772649096 581351592 /nfs/dbraw/zinc/35/15/92/581351592.db2.gz AMKHGLJCOHPFJE-CYBMUJFWSA-N -1 0 342.351 2.536 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccccc1SC(F)(F)F ZINC000772721415 581359561 /nfs/dbraw/zinc/35/95/61/581359561.db2.gz NRRKBAGCZJYMDJ-UHFFFAOYSA-N -1 0 325.333 2.544 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c2ccccc21 ZINC000772723551 581359933 /nfs/dbraw/zinc/35/99/33/581359933.db2.gz NTKRTWUBFGCSKC-UHFFFAOYSA-N -1 0 342.420 2.817 20 30 EFEDRM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(C(=O)[O-])o1 ZINC000773074035 581393822 /nfs/dbraw/zinc/39/38/22/581393822.db2.gz OILLNDUGLCNBQH-UHFFFAOYSA-N -1 0 329.341 2.727 20 30 EFEDRM C[C@H](Oc1cccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)c1)C(=O)[O-] ZINC000773158167 581401576 /nfs/dbraw/zinc/40/15/76/581401576.db2.gz ACQWOQATZPZGIL-AXLKIAQESA-N -1 0 334.331 2.903 20 30 EFEDRM COc1cc(/C=C2\Oc3cc(F)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000773170100 581402624 /nfs/dbraw/zinc/40/26/24/581402624.db2.gz CQTDIVMUOYWWOE-APSNUPSMSA-N -1 0 344.294 2.914 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773971019 581475913 /nfs/dbraw/zinc/47/59/13/581475913.db2.gz LRZQCVXQHGSPFQ-MRXNPFEDSA-N -1 0 338.411 2.560 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)co1 ZINC000773977782 581476273 /nfs/dbraw/zinc/47/62/73/581476273.db2.gz YNTLTSRBSJKVJK-NSHDSACASA-N -1 0 333.731 2.688 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F ZINC000773975117 581476327 /nfs/dbraw/zinc/47/63/27/581476327.db2.gz UNEFMQLKOALFEK-CQSZACIVSA-N -1 0 348.374 2.631 20 30 EFEDRM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000774073980 581481853 /nfs/dbraw/zinc/48/18/53/581481853.db2.gz ZHYZGFQTBFWLFK-WFASDCNBSA-N -1 0 340.832 2.699 20 30 EFEDRM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000774081368 581482116 /nfs/dbraw/zinc/48/21/16/581482116.db2.gz KVNTXJGTIYEZPK-UHFFFAOYSA-N -1 0 327.296 2.823 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774290904 581488922 /nfs/dbraw/zinc/48/89/22/581488922.db2.gz OQYSJYRRVJSIMW-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(CC)cc1)OCC ZINC000774550538 581493854 /nfs/dbraw/zinc/49/38/54/581493854.db2.gz HVZCZQTYPPFMML-INIZCTEOSA-N -1 0 339.457 2.566 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000774621037 581495431 /nfs/dbraw/zinc/49/54/31/581495431.db2.gz QFHZWFFWTANDOL-UHFFFAOYSA-N -1 0 349.383 2.785 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)CSCC(=O)[O-])c2)s1 ZINC000740314314 597095320 /nfs/dbraw/zinc/09/53/20/597095320.db2.gz UQKGQZOBUNZJTA-UHFFFAOYSA-N -1 0 346.433 2.721 20 30 EFEDRM N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)[O-] ZINC000740321771 597111401 /nfs/dbraw/zinc/11/14/01/597111401.db2.gz ICEUVQCNBVAOJP-UHFFFAOYSA-N -1 0 326.377 2.914 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1 ZINC000738432854 597201621 /nfs/dbraw/zinc/20/16/21/597201621.db2.gz SFPFQSKIUFGBDO-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738427211 597201667 /nfs/dbraw/zinc/20/16/67/597201667.db2.gz XQPJMZZTNGHZJN-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000818034132 597205627 /nfs/dbraw/zinc/20/56/27/597205627.db2.gz MLTUDIMXGZQCDN-LLVKDONJSA-N -1 0 325.324 2.945 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2)nn(CN(C)CC(=O)[O-])c1=S ZINC000817685859 597225856 /nfs/dbraw/zinc/22/58/56/597225856.db2.gz QARQCZPSLQEDRI-UHFFFAOYSA-N -1 0 332.429 2.549 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817847452 597273336 /nfs/dbraw/zinc/27/33/36/597273336.db2.gz VYYSVRFUYRABGR-UHFFFAOYSA-N -1 0 338.363 2.981 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cn2)cc1 ZINC000819106233 597307935 /nfs/dbraw/zinc/30/79/35/597307935.db2.gz IDHMLPQPVVPSSM-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000817762468 597459754 /nfs/dbraw/zinc/45/97/54/597459754.db2.gz MYELWWVFVYRNPH-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM Cc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000818787894 597465314 /nfs/dbraw/zinc/46/53/14/597465314.db2.gz DOKKFPRSROBODG-ZDUSSCGKSA-N -1 0 325.368 2.511 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(Br)cc1F ZINC000819847842 597603471 /nfs/dbraw/zinc/60/34/71/597603471.db2.gz PISJILMPKSSADJ-LBPRGKRZSA-N -1 0 347.115 2.670 20 30 EFEDRM Cc1ccccc1-c1cnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])o1 ZINC000821120373 597614741 /nfs/dbraw/zinc/61/47/41/597614741.db2.gz XDQIGUNLHLVSAG-QGZVFWFLSA-N -1 0 328.324 2.698 20 30 EFEDRM Cc1ccc(-c2cnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052602 597615929 /nfs/dbraw/zinc/61/59/29/597615929.db2.gz POMNPMRLDBGRPV-KRWDZBQOSA-N -1 0 328.324 2.698 20 30 EFEDRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C ZINC000819796720 597616581 /nfs/dbraw/zinc/61/65/81/597616581.db2.gz IMCMFLWWBYSLPA-GOSISDBHSA-N -1 0 331.368 2.862 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2ccc(F)cc2)n1 ZINC000819875424 597618607 /nfs/dbraw/zinc/61/86/07/597618607.db2.gz WRAOPRULQKSLBE-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2cccs2)n1 ZINC000819875438 597623489 /nfs/dbraw/zinc/62/34/89/597623489.db2.gz WZMHISYPCVRCNX-AWEZNQCLSA-N -1 0 336.394 2.919 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCSc1ccc(Cl)cc1 ZINC000819874023 597623621 /nfs/dbraw/zinc/62/36/21/597623621.db2.gz GKSNLCHQODXHEA-CQSZACIVSA-N -1 0 327.789 2.980 20 30 EFEDRM Cc1cc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])c(Cl)cc1F ZINC000820953944 597624230 /nfs/dbraw/zinc/62/42/30/597624230.db2.gz INABHVFZBAXGSS-OAHLLOKOSA-N -1 0 341.722 2.518 20 30 EFEDRM Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821106874 597625759 /nfs/dbraw/zinc/62/57/59/597625759.db2.gz BBADDPGABQNVDL-GOSISDBHSA-N -1 0 346.383 2.605 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000819811127 597629539 /nfs/dbraw/zinc/62/95/39/597629539.db2.gz KLPVADOVHUWTDD-LJQANCHMSA-N -1 0 328.412 2.862 20 30 EFEDRM Cc1cc(C)c(-c2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]2)cc1C ZINC000820963660 597636910 /nfs/dbraw/zinc/63/69/10/597636910.db2.gz JLVWFJPSOAJHFM-SFHVURJKSA-N -1 0 340.383 2.945 20 30 EFEDRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC000821078910 597641787 /nfs/dbraw/zinc/64/17/87/597641787.db2.gz AZYSIUMLQHQTCV-APWZRJJASA-N -1 0 328.412 2.781 20 30 EFEDRM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820574440 597641914 /nfs/dbraw/zinc/64/19/14/597641914.db2.gz ZRMINNMZRLCEAU-KVSKMBFKSA-N -1 0 344.411 2.617 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000819832198 597642458 /nfs/dbraw/zinc/64/24/58/597642458.db2.gz AGZQPLAALSGYLS-INIZCTEOSA-N -1 0 334.803 2.882 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000819812063 597653885 /nfs/dbraw/zinc/65/38/85/597653885.db2.gz YFMDKOFZQMQJNF-VQTJNVASSA-N -1 0 340.423 2.888 20 30 EFEDRM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C=NNCCC(=O)[O-] ZINC000821076005 597739265 /nfs/dbraw/zinc/73/92/65/597739265.db2.gz OWSIBBINEQVHGU-UHFFFAOYSA-N -1 0 334.807 2.849 20 30 EFEDRM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNCCC(=O)[O-] ZINC000821196967 597740199 /nfs/dbraw/zinc/74/01/99/597740199.db2.gz SZXWHQOFRGLZPH-UHFFFAOYSA-N -1 0 341.198 2.886 20 30 EFEDRM Cc1ccc(Br)cc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821058587 597813672 /nfs/dbraw/zinc/81/36/72/597813672.db2.gz WKDZNNZFCDWHAU-CQSZACIVSA-N -1 0 340.173 2.805 20 30 EFEDRM N#Cc1ccccc1N1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000821340406 598154654 /nfs/dbraw/zinc/15/46/54/598154654.db2.gz FNZANBASXYMIIH-UHFFFAOYSA-N -1 0 349.390 2.609 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000821320379 598196181 /nfs/dbraw/zinc/19/61/81/598196181.db2.gz NMMAMTIZYXCPHN-QGZVFWFLSA-N -1 0 334.375 2.667 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)nn1CCC#N ZINC000821034176 598198577 /nfs/dbraw/zinc/19/85/77/598198577.db2.gz UAZOCSLGQGXZAT-UHFFFAOYSA-N -1 0 327.344 2.756 20 30 EFEDRM O=C([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000814785210 598201371 /nfs/dbraw/zinc/20/13/71/598201371.db2.gz ZYBMNTKBHTVGIJ-UHFFFAOYSA-N -1 0 342.355 2.953 20 30 EFEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000126371748 598201607 /nfs/dbraw/zinc/20/16/07/598201607.db2.gz IGGUQTLSVKOCBU-GQCTYLIASA-N -1 0 337.253 2.988 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1Br ZINC000821008369 598221639 /nfs/dbraw/zinc/22/16/39/598221639.db2.gz BSCHCAZALFFPSE-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1Cl ZINC000819841772 598221748 /nfs/dbraw/zinc/22/17/48/598221748.db2.gz CVKHYGLGHREVKT-AWEZNQCLSA-N -1 0 329.183 2.657 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000820113761 598222420 /nfs/dbraw/zinc/22/24/20/598222420.db2.gz GIRPKBYVLSVUOZ-LKFCYVNXSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000819847740 598223086 /nfs/dbraw/zinc/22/30/86/598223086.db2.gz OOHANKJUEBWNTM-IBGZPJMESA-N -1 0 348.362 2.944 20 30 EFEDRM COc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OC1CCCC1 ZINC000820841568 598223469 /nfs/dbraw/zinc/22/34/69/598223469.db2.gz ZUFRQNCRXOFIIO-SFHVURJKSA-N -1 0 346.383 2.960 20 30 EFEDRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820597093 598223754 /nfs/dbraw/zinc/22/37/54/598223754.db2.gz DQSOTRQWBZWKKY-AWEZNQCLSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000819856516 598223883 /nfs/dbraw/zinc/22/38/83/598223883.db2.gz JEHAIXOKSNLDLZ-SFHVURJKSA-N -1 0 339.351 2.604 20 30 EFEDRM COc1ccccc1-c1csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000820871249 598224112 /nfs/dbraw/zinc/22/41/12/598224112.db2.gz RTEPLNAOLSJMRC-MRXNPFEDSA-N -1 0 345.380 2.762 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000819855465 598224398 /nfs/dbraw/zinc/22/43/98/598224398.db2.gz CRJCIZLUICAVTK-GOSISDBHSA-N -1 0 339.351 2.604 20 30 EFEDRM Cc1cc(C)n(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2F)n1 ZINC000820972397 598224849 /nfs/dbraw/zinc/22/48/49/598224849.db2.gz IWZKVJHDTIRDFI-QGZVFWFLSA-N -1 0 344.346 2.571 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000819848247 598225235 /nfs/dbraw/zinc/22/52/35/598225235.db2.gz RPLJJYQEWRRJFU-CQSZACIVSA-N -1 0 337.788 2.570 20 30 EFEDRM Cc1cc(Cl)ccc1OCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820976637 598225365 /nfs/dbraw/zinc/22/53/65/598225365.db2.gz NJJQWUGGGBJJLW-MRXNPFEDSA-N -1 0 338.791 2.538 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000819811916 598225462 /nfs/dbraw/zinc/22/54/62/598225462.db2.gz XDJKAYOVRDYMME-LJQANCHMSA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000819833265 598225511 /nfs/dbraw/zinc/22/55/11/598225511.db2.gz FQYCAWYLMPAZJQ-NHYWBVRUSA-N -1 0 338.816 2.998 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000819820857 598226007 /nfs/dbraw/zinc/22/60/07/598226007.db2.gz ACCCRCNMBMYSNS-ITDIGPHOSA-N -1 0 340.301 2.682 20 30 EFEDRM COc1c(Cl)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl ZINC000820755254 598226252 /nfs/dbraw/zinc/22/62/52/598226252.db2.gz YHGMHMOWXGWEJZ-ZDUSSCGKSA-N -1 0 331.155 2.945 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000819857613 598226700 /nfs/dbraw/zinc/22/67/00/598226700.db2.gz ZBCHRPLVBOHAIJ-SFHVURJKSA-N -1 0 339.351 2.604 20 30 EFEDRM COc1ccc2oc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)c2c1 ZINC000820858535 598227090 /nfs/dbraw/zinc/22/70/90/598227090.db2.gz GGGZJIWQNPXLFW-ADLMAVQZSA-N -1 0 344.367 2.932 20 30 EFEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000820160914 598227638 /nfs/dbraw/zinc/22/76/38/598227638.db2.gz KULZHEKCYKGTDZ-BJOHPYRUSA-N -1 0 327.283 2.897 20 30 EFEDRM Cc1cc(C)cc(-c2nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s2)c1 ZINC000820968206 598227732 /nfs/dbraw/zinc/22/77/32/598227732.db2.gz UDUAAYIUZFGBBZ-INIZCTEOSA-N -1 0 344.396 2.765 20 30 EFEDRM Cc1ccc(Oc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)nn1 ZINC000821098327 598228517 /nfs/dbraw/zinc/22/85/17/598228517.db2.gz CEEAKCGMIZSPBY-KRWDZBQOSA-N -1 0 340.339 2.520 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000819846850 598228663 /nfs/dbraw/zinc/22/86/63/598228663.db2.gz HGDWZORZKMCECV-CYBMUJFWSA-N -1 0 325.246 2.520 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000819811774 598228878 /nfs/dbraw/zinc/22/88/78/598228878.db2.gz VXBBJKWGVMVLMW-SUMWQHHRSA-N -1 0 332.425 2.632 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000819856689 598228904 /nfs/dbraw/zinc/22/89/04/598228904.db2.gz LWQJEOVVEOBSEX-MRXNPFEDSA-N -1 0 346.774 2.528 20 30 EFEDRM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000821075899 598229089 /nfs/dbraw/zinc/22/90/89/598229089.db2.gz LJJAUUQMJKOACX-IEZWGBDMSA-N -1 0 344.411 2.584 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000820113949 598229245 /nfs/dbraw/zinc/22/92/45/598229245.db2.gz IWMPLDBJRSDYQW-YJYMSZOUSA-N -1 0 337.379 2.930 20 30 EFEDRM CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Oc1ccccc1Cl ZINC000820278222 598229619 /nfs/dbraw/zinc/22/96/19/598229619.db2.gz JYCKIHGKBMMCNT-BZNIZROVSA-N -1 0 338.791 2.618 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000819822529 598230583 /nfs/dbraw/zinc/23/05/83/598230583.db2.gz OWCWBDXYZAEGGZ-KDOFPFPSSA-N -1 0 342.395 2.944 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCc3cc(Cl)ccc32)o1 ZINC000822423355 599338338 /nfs/dbraw/zinc/33/83/38/599338338.db2.gz KHIDBVGGBVSTNS-UHFFFAOYSA-N -1 0 329.751 2.579 20 30 EFEDRM CCCCC(COC)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000736436208 599535289 /nfs/dbraw/zinc/53/52/89/599535289.db2.gz BHXYEFDHCFNYTN-UHFFFAOYSA-N -1 0 335.412 2.658 20 30 EFEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000736089836 599704114 /nfs/dbraw/zinc/70/41/14/599704114.db2.gz QTWLINZHBMBKHW-XJKSGUPXSA-N -1 0 333.384 2.985 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])nc1 ZINC000111280907 599708494 /nfs/dbraw/zinc/70/84/94/599708494.db2.gz RYHRTJYTOUULHX-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(C#N)cc1 ZINC000737169925 599709507 /nfs/dbraw/zinc/70/95/07/599709507.db2.gz IWOXVODVFJPZAH-UHFFFAOYSA-N -1 0 328.368 2.888 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736091578 599710056 /nfs/dbraw/zinc/71/00/56/599710056.db2.gz YWYKQWPQNVABEP-GOSISDBHSA-N -1 0 340.354 2.503 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)CCCNC(=O)[O-])s2)cc1 ZINC000739118535 599716843 /nfs/dbraw/zinc/71/68/43/599716843.db2.gz UIXCQHANNDDDCY-UHFFFAOYSA-N -1 0 344.396 2.592 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000736715536 599718062 /nfs/dbraw/zinc/71/80/62/599718062.db2.gz ADOBSZPXEBMFNA-GFCCVEGCSA-N -1 0 343.358 2.872 20 30 EFEDRM CN(CCCC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC000737430829 599729344 /nfs/dbraw/zinc/72/93/44/599729344.db2.gz KOQNKEIMYVTPSN-UHFFFAOYSA-N -1 0 337.379 2.810 20 30 EFEDRM N#CCn1c(C(=O)NC2(C(=O)[O-])CCCCC2)cc2ccccc21 ZINC000739090976 599737850 /nfs/dbraw/zinc/73/78/50/599737850.db2.gz CJPXOOPMYGBMEA-UHFFFAOYSA-N -1 0 325.368 2.682 20 30 EFEDRM N#CCn1c(C(=O)Nc2nc(CC(=O)[O-])cs2)cc2ccccc21 ZINC000738424936 599739190 /nfs/dbraw/zinc/73/91/90/599739190.db2.gz HRUKHFZGJRZCSL-UHFFFAOYSA-N -1 0 340.364 2.501 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)[O-] ZINC000737267124 599798345 /nfs/dbraw/zinc/79/83/45/599798345.db2.gz MLLAQCJDQONCHW-AWEZNQCLSA-N -1 0 345.399 2.507 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000739133688 599798694 /nfs/dbraw/zinc/79/86/94/599798694.db2.gz MPGHCHBZBQONPB-DLBZAZTESA-N -1 0 336.347 2.796 20 30 EFEDRM C#Cc1cccc(NC(=S)NCc2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000736091472 599806212 /nfs/dbraw/zinc/80/62/12/599806212.db2.gz VGGHYSNGORNUNT-UHFFFAOYSA-N -1 0 340.404 2.861 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc2ccccc21 ZINC000738425628 599810514 /nfs/dbraw/zinc/81/05/14/599810514.db2.gz OUPHFLCXBMGNAC-INIZCTEOSA-N -1 0 347.374 2.591 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000161483120 599824403 /nfs/dbraw/zinc/82/44/03/599824403.db2.gz CPGFVKSPPFGUGA-UHFFFAOYSA-N -1 0 327.178 2.734 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000730996318 599838315 /nfs/dbraw/zinc/83/83/15/599838315.db2.gz LMUIIKGKXURLJZ-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM CC(C)N(CC(=O)[O-])CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000736545069 599855769 /nfs/dbraw/zinc/85/57/69/599855769.db2.gz OMBBPGNLCWICFE-CYBMUJFWSA-N -1 0 349.456 2.814 20 30 EFEDRM CC(C)N(CC(=O)[O-])CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000736545071 599855927 /nfs/dbraw/zinc/85/59/27/599855927.db2.gz OMBBPGNLCWICFE-ZDUSSCGKSA-N -1 0 349.456 2.814 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)c1ccccc1NC(=O)[O-] ZINC000739147297 599867132 /nfs/dbraw/zinc/86/71/32/599867132.db2.gz RXCUFTPUCNRRLT-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736390177 599883258 /nfs/dbraw/zinc/88/32/58/599883258.db2.gz HAAOWIVUBGYARU-MRXNPFEDSA-N -1 0 343.335 2.996 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000739131634 599904989 /nfs/dbraw/zinc/90/49/89/599904989.db2.gz CQLZSONVOIQGHU-KBMXLJTQSA-N -1 0 344.436 2.895 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC000738627709 599905588 /nfs/dbraw/zinc/90/55/88/599905588.db2.gz KDFNLDTWSMNFSX-UHFFFAOYSA-N -1 0 329.381 2.719 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000740161824 599907491 /nfs/dbraw/zinc/90/74/91/599907491.db2.gz STJLHWYGBGFYPN-UHFFFAOYSA-N -1 0 332.266 2.691 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000740161973 599907510 /nfs/dbraw/zinc/90/75/10/599907510.db2.gz WGXCAVHTEFTMTQ-UHFFFAOYSA-N -1 0 340.364 2.520 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736091460 599913800 /nfs/dbraw/zinc/91/38/00/599913800.db2.gz UYECCUZUYQWEHT-UHFFFAOYSA-N -1 0 332.359 2.984 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000237050845 599925107 /nfs/dbraw/zinc/92/51/07/599925107.db2.gz SDRZYNUWKYIYKQ-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000075081666 599925311 /nfs/dbraw/zinc/92/53/11/599925311.db2.gz YFRNDFKDVNWJJX-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000739099632 599956018 /nfs/dbraw/zinc/95/60/18/599956018.db2.gz ZVYJEPUWTZUWPF-CYBMUJFWSA-N -1 0 343.314 2.961 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739121859 599956079 /nfs/dbraw/zinc/95/60/79/599956079.db2.gz XHKUSDOSSRDNLH-CYBMUJFWSA-N -1 0 343.314 2.961 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738500874 599956565 /nfs/dbraw/zinc/95/65/65/599956565.db2.gz HRUXZCVFGDJFPK-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM C#Cc1cccc(N(CC)CC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000736091430 599964663 /nfs/dbraw/zinc/96/46/63/599964663.db2.gz RYJIYCXYWDQEBL-UHFFFAOYSA-N -1 0 328.393 2.893 20 30 EFEDRM N#Cc1cccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000739134077 599982682 /nfs/dbraw/zinc/98/26/82/599982682.db2.gz UQAALABHXMWKBB-CQSZACIVSA-N -1 0 341.342 2.762 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2cccc(OCC#N)c2)NC(=O)N1CC(C)C ZINC000736752573 599984734 /nfs/dbraw/zinc/98/47/34/599984734.db2.gz WPJKSGQUYFKANV-INIZCTEOSA-N -1 0 343.383 2.670 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000738708496 600009545 /nfs/dbraw/zinc/00/95/45/600009545.db2.gz PCQQMZBZMBIHGX-MRXNPFEDSA-N -1 0 337.379 2.932 20 30 EFEDRM Cc1[nH]c(C(=O)Cn2ccc(-c3ccc(C#N)cc3)n2)c(C)c1C(=O)[O-] ZINC000738155649 600028797 /nfs/dbraw/zinc/02/87/97/600028797.db2.gz QSHWJWQPUULJKM-UHFFFAOYSA-N -1 0 348.362 2.948 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000736102767 600049955 /nfs/dbraw/zinc/04/99/55/600049955.db2.gz WZWZOKDCFNJJGW-VIFPVBQESA-N -1 0 335.385 2.618 20 30 EFEDRM N#C[C@@H](C(=O)c1cccc(NC(=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000739074941 600056884 /nfs/dbraw/zinc/05/68/84/600056884.db2.gz NQJKSWQIWPFBBO-ZDUSSCGKSA-N -1 0 339.355 2.584 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000738424868 600059283 /nfs/dbraw/zinc/05/92/83/600059283.db2.gz FDONCDLVZIAVDD-UHFFFAOYSA-N -1 0 328.299 2.694 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)c1 ZINC000739134161 600072284 /nfs/dbraw/zinc/07/22/84/600072284.db2.gz XFDOTXVBBRWTBZ-SJORKVTESA-N -1 0 336.347 2.796 20 30 EFEDRM N#CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000739070088 600120415 /nfs/dbraw/zinc/12/04/15/600120415.db2.gz XJVLCANZYMJZLN-UHFFFAOYSA-N -1 0 330.388 2.800 20 30 EFEDRM N#CCCCCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000739068586 600126327 /nfs/dbraw/zinc/12/63/27/600126327.db2.gz GHJLREVGWIGXJW-UHFFFAOYSA-N -1 0 340.383 2.628 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C(C)(C)C(=O)[O-] ZINC000736545017 600134766 /nfs/dbraw/zinc/13/47/66/600134766.db2.gz NDJDCISOSFWWNE-LBPRGKRZSA-N -1 0 349.456 2.814 20 30 EFEDRM N#CCCn1ncc2c1ncnc2Nc1ccc(CCC(=O)[O-])cc1 ZINC000739075175 600162409 /nfs/dbraw/zinc/16/24/09/600162409.db2.gz AOHIMFOENDEHAL-UHFFFAOYSA-N -1 0 336.355 2.501 20 30 EFEDRM CC(C)CCNC(=S)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000736432006 600180170 /nfs/dbraw/zinc/18/01/70/600180170.db2.gz LZFJQYPQZTUHNM-UHFFFAOYSA-N -1 0 332.429 2.710 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736097232 600184426 /nfs/dbraw/zinc/18/44/26/600184426.db2.gz YPGUQDIELWDUDG-QGZVFWFLSA-N -1 0 339.395 2.939 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccncc1 ZINC000736096070 600189748 /nfs/dbraw/zinc/18/97/48/600189748.db2.gz HNCADTVOCBYNQY-HUUCEWRRSA-N -1 0 329.400 2.595 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000739132446 600219429 /nfs/dbraw/zinc/21/94/29/600219429.db2.gz QZOOLWVDHHPHTA-HNNXBMFYSA-N -1 0 338.388 2.865 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000736091377 600231802 /nfs/dbraw/zinc/23/18/02/600231802.db2.gz QKOOXKYHOADXOP-UHFFFAOYSA-N -1 0 343.404 2.722 20 30 EFEDRM CC(C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736384424 600247337 /nfs/dbraw/zinc/24/73/37/600247337.db2.gz DWKOENPGOSLFDY-MRXNPFEDSA-N -1 0 339.351 2.585 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)NCCCCC(=O)[O-])cc2)nc1 ZINC000739128383 600249457 /nfs/dbraw/zinc/24/94/57/600249457.db2.gz BIGAEHKIULSPHG-UHFFFAOYSA-N -1 0 339.351 2.730 20 30 EFEDRM C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000736605727 600249758 /nfs/dbraw/zinc/24/97/58/600249758.db2.gz MHMRHCGTKGDGAD-ZDUSSCGKSA-N -1 0 338.363 2.995 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cc(C)ccc1F ZINC000736127662 600253594 /nfs/dbraw/zinc/25/35/94/600253594.db2.gz WQCHEVJZKMUGNQ-HNNXBMFYSA-N -1 0 346.358 2.538 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000736847370 600257559 /nfs/dbraw/zinc/25/75/59/600257559.db2.gz BVYKGYKWBUKAOP-INIZCTEOSA-N -1 0 338.363 2.996 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736349466 600277521 /nfs/dbraw/zinc/27/75/21/600277521.db2.gz LQPQSLIFUHVZGA-INIZCTEOSA-N -1 0 347.396 2.673 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736349467 600277531 /nfs/dbraw/zinc/27/75/31/600277531.db2.gz LQPQSLIFUHVZGA-MRXNPFEDSA-N -1 0 347.396 2.673 20 30 EFEDRM CC(C)(C)c1ccc(C=NOCc2noc(CCC(=O)[O-])n2)cc1 ZINC000736297004 600282034 /nfs/dbraw/zinc/28/20/34/600282034.db2.gz BZNOBEBAABYEIW-UHFFFAOYSA-N -1 0 331.372 2.935 20 30 EFEDRM C#CCN(Cc1noc(CCCC(=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000736080331 600290578 /nfs/dbraw/zinc/29/05/78/600290578.db2.gz UEFCGHVZLQNSJB-MRXNPFEDSA-N -1 0 339.395 2.600 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739091896 600316452 /nfs/dbraw/zinc/31/64/52/600316452.db2.gz OBKRIBFGSNIJDP-UHFFFAOYSA-N -1 0 338.367 2.571 20 30 EFEDRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 ZINC000736671305 600327679 /nfs/dbraw/zinc/32/76/79/600327679.db2.gz KNHYORXLXNNGDI-GFCCVEGCSA-N -1 0 338.367 2.765 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000736615561 600359764 /nfs/dbraw/zinc/35/97/64/600359764.db2.gz OQIJTLFMKLCIFR-JTQLQIEISA-N -1 0 331.349 2.942 20 30 EFEDRM N#Cc1cc(C#N)c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)nc1N ZINC000739093823 600378468 /nfs/dbraw/zinc/37/84/68/600378468.db2.gz SXGOFZYQQPOSBA-GFCCVEGCSA-N -1 0 344.783 2.979 20 30 EFEDRM N#CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000739076564 600389135 /nfs/dbraw/zinc/38/91/35/600389135.db2.gz ZRHSFBNTTAKJLZ-UHFFFAOYSA-N -1 0 325.368 2.634 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736849973 600399933 /nfs/dbraw/zinc/39/99/33/600399933.db2.gz CUOAYMGXGPDMGO-INIZCTEOSA-N -1 0 344.392 2.617 20 30 EFEDRM Cc1cccc(COc2cccc(C(=O)N(CC#N)CC(=O)[O-])c2)c1 ZINC000738718046 600401854 /nfs/dbraw/zinc/40/18/54/600401854.db2.gz TUSOECYSDVRYAB-UHFFFAOYSA-N -1 0 338.363 2.624 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000739085071 600404793 /nfs/dbraw/zinc/40/47/93/600404793.db2.gz BSXIJGNNSPVUGB-UHFFFAOYSA-N -1 0 335.772 2.514 20 30 EFEDRM N#CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739090952 600452955 /nfs/dbraw/zinc/45/29/55/600452955.db2.gz BDOHLVDQUZZHJL-OAHLLOKOSA-N -1 0 329.283 2.711 20 30 EFEDRM CN(CCCC(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)C(=O)[O-] ZINC000737415249 600459457 /nfs/dbraw/zinc/45/94/57/600459457.db2.gz HZRGUJWPZRQVKB-LBPRGKRZSA-N -1 0 344.396 2.771 20 30 EFEDRM Cc1ncc(CO)c(C=Nc2ccc(OCCCC(=O)[O-])cc2)c1O ZINC000738884820 600473285 /nfs/dbraw/zinc/47/32/85/600473285.db2.gz DOWKHKOZLVTQGR-UHFFFAOYSA-N -1 0 344.367 2.582 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736087983 600480964 /nfs/dbraw/zinc/48/09/64/600480964.db2.gz PUCRAEYZCDILKA-UHFFFAOYSA-N -1 0 337.375 2.646 20 30 EFEDRM N#Cc1ccc(-c2ccc(OS(=O)(=O)CCCC(=O)[O-])cc2)cc1 ZINC000738429905 600490407 /nfs/dbraw/zinc/49/04/07/600490407.db2.gz CBFSCDOVKYGJMG-UHFFFAOYSA-N -1 0 345.376 2.799 20 30 EFEDRM N#Cc1cnc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(Cl)c1 ZINC000739142441 600503464 /nfs/dbraw/zinc/50/34/64/600503464.db2.gz LXDFIRYYADYPST-GFCCVEGCSA-N -1 0 331.759 2.668 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])s1 ZINC000738474711 600517579 /nfs/dbraw/zinc/51/75/79/600517579.db2.gz OQTUMWOBRNKIIY-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM C[C@](C#N)(NC(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000736202710 600551568 /nfs/dbraw/zinc/55/15/68/600551568.db2.gz PROKLONOXBYGFQ-GOSISDBHSA-N -1 0 330.384 2.742 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000739103412 600561835 /nfs/dbraw/zinc/56/18/35/600561835.db2.gz ASKOIGYOSPYVHR-LJQANCHMSA-N -1 0 335.407 2.502 20 30 EFEDRM CN(Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494623 600563510 /nfs/dbraw/zinc/56/35/10/600563510.db2.gz YEJOSQCWSMGFBU-INIZCTEOSA-N -1 0 325.324 2.724 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000739106407 600564111 /nfs/dbraw/zinc/56/41/11/600564111.db2.gz RTTQZCFIOJUAFV-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM Cc1c2cc(C(C)N=Nc3cccnn3)cnc2sc1C(=O)[O-] ZINC000736127964 600580745 /nfs/dbraw/zinc/58/07/45/600580745.db2.gz ZARXEEQYNCZBBX-UHFFFAOYSA-N -1 0 327.369 2.929 20 30 EFEDRM CC(=O)N1CCc2cc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC000736139600 600591054 /nfs/dbraw/zinc/59/10/54/600591054.db2.gz RXMUUDPPDVCEPJ-SFHVURJKSA-N -1 0 335.363 2.705 20 30 EFEDRM N#Cc1ccc([C@H](Nc2cccc(N3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739108205 600592013 /nfs/dbraw/zinc/59/20/13/600592013.db2.gz DRIFBLCEAQWRFL-SFHVURJKSA-N -1 0 335.363 2.923 20 30 EFEDRM COC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737644471 600594709 /nfs/dbraw/zinc/59/47/09/600594709.db2.gz WOHLOLPVMZKECU-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM COCCOCc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737814404 600594744 /nfs/dbraw/zinc/59/47/44/600594744.db2.gz OISKADKXPRRCOH-SFHVURJKSA-N -1 0 340.379 2.959 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737581247 600595714 /nfs/dbraw/zinc/59/57/14/600595714.db2.gz XRDIVKSNSBSTRI-INIZCTEOSA-N -1 0 339.351 2.999 20 30 EFEDRM COC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737631504 600595764 /nfs/dbraw/zinc/59/57/64/600595764.db2.gz ABKGDLUZGMMNJO-INIZCTEOSA-N -1 0 339.351 2.999 20 30 EFEDRM N#Cc1ccc([C@H](Nc2cccc(N3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739108977 600596759 /nfs/dbraw/zinc/59/67/59/600596759.db2.gz HVTIPWVYNOYBSV-SFHVURJKSA-N -1 0 337.379 2.633 20 30 EFEDRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736607732 600597396 /nfs/dbraw/zinc/59/73/96/600597396.db2.gz WQOHSRRIPDOTNQ-VXGBXAGGSA-N -1 0 338.404 2.915 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737840267 600603269 /nfs/dbraw/zinc/60/32/69/600603269.db2.gz WQNLJVROMJKUER-INIZCTEOSA-N -1 0 338.319 2.521 20 30 EFEDRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000738693633 600603301 /nfs/dbraw/zinc/60/33/01/600603301.db2.gz VNYJFLGIIXFYAN-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCOc2ccccc2)C(=O)[O-])cc1 ZINC000739108794 600604306 /nfs/dbraw/zinc/60/43/06/600604306.db2.gz GWGXJRQZXNPMCI-KRWDZBQOSA-N -1 0 325.320 2.696 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000739114913 600604380 /nfs/dbraw/zinc/60/43/80/600604380.db2.gz LLEJHTINOSDHAC-SFHVURJKSA-N -1 0 334.331 2.951 20 30 EFEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC ZINC000738088245 600604810 /nfs/dbraw/zinc/60/48/10/600604810.db2.gz GNMNMOWGZOKYJM-OAHLLOKOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738785845 600604845 /nfs/dbraw/zinc/60/48/45/600604845.db2.gz XGFIIGOQZVYRGQ-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(=O)c3ccccc3o2)C(=O)[O-])cc1 ZINC000739115495 600605192 /nfs/dbraw/zinc/60/51/92/600605192.db2.gz RMZCSSBSRNTNQE-KRWDZBQOSA-N -1 0 349.298 2.647 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000738292437 600605946 /nfs/dbraw/zinc/60/59/46/600605946.db2.gz RVTWTKZQESKMJK-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCc2ccccc2F)C(=O)[O-])cc1 ZINC000739109437 600605981 /nfs/dbraw/zinc/60/59/81/600605981.db2.gz LAJONAUGIIYXGU-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736193734 600606360 /nfs/dbraw/zinc/60/63/60/600606360.db2.gz ZTKKRVXUNFYNLD-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM COc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738018102 600606666 /nfs/dbraw/zinc/60/66/66/600606666.db2.gz QVZQRTCGDOSGGL-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2Cc3ccccc3S2)C(=O)[O-])cc1 ZINC000739109426 600607025 /nfs/dbraw/zinc/60/70/25/600607025.db2.gz KXUOQNHQALQEGZ-JKSUJKDBSA-N -1 0 339.372 2.944 20 30 EFEDRM COc1ccc(OC)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738045136 600607477 /nfs/dbraw/zinc/60/74/77/600607477.db2.gz YKNIXUUSKJUJIX-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738094521 600609643 /nfs/dbraw/zinc/60/96/43/600609643.db2.gz KRWAOBRFKISLHX-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCOc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739108724 600610021 /nfs/dbraw/zinc/61/00/21/600610021.db2.gz GGPDZHBPWCLABH-KRWDZBQOSA-N -1 0 343.310 2.835 20 30 EFEDRM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736706765 600610443 /nfs/dbraw/zinc/61/04/43/600610443.db2.gz FTQGLCURBPNNFW-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCOc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739112515 600611327 /nfs/dbraw/zinc/61/13/27/600611327.db2.gz ZWFQGIUNTSGRAD-KRWDZBQOSA-N -1 0 343.310 2.835 20 30 EFEDRM N#Cc1nccnc1NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739144779 600612114 /nfs/dbraw/zinc/61/21/14/600612114.db2.gz AGJZTOHDHFFIOL-HNNXBMFYSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCOc3ccccc32)C(=O)[O-])cc1 ZINC000739110526 600616780 /nfs/dbraw/zinc/61/67/80/600616780.db2.gz QWLQDBIEBVBFNR-WBVHZDCISA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3c(s2)CCOC3)C(=O)[O-])cc1 ZINC000739113553 600617257 /nfs/dbraw/zinc/61/72/57/600617257.db2.gz AIQFJVDTPFHVRC-OAHLLOKOSA-N -1 0 343.360 2.675 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])cc1 ZINC000739113572 600617260 /nfs/dbraw/zinc/61/72/60/600617260.db2.gz AJPNEAKKOBYXIH-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3cccnc3c2N)C(=O)[O-])cc1 ZINC000739115625 600617284 /nfs/dbraw/zinc/61/72/84/600617284.db2.gz UMEQVZIEHAOFKR-QGZVFWFLSA-N -1 0 347.330 2.671 20 30 EFEDRM Cc1ncc(/C=C/C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000738884306 600617691 /nfs/dbraw/zinc/61/76/91/600617691.db2.gz WKEWVXNWVCEACW-LFAOLKIESA-N -1 0 328.349 2.706 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739115924 600617997 /nfs/dbraw/zinc/61/79/97/600617997.db2.gz WFXMZUUJVUBYTO-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000739076303 600631963 /nfs/dbraw/zinc/63/19/63/600631963.db2.gz ZJJRHGXPRWKXLI-OAHLLOKOSA-N -1 0 344.754 2.798 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736095744 600638034 /nfs/dbraw/zinc/63/80/34/600638034.db2.gz AQDMHFLYWMLDDE-MRXNPFEDSA-N -1 0 346.408 2.517 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736095716 600641517 /nfs/dbraw/zinc/64/15/17/600641517.db2.gz ABDCODUDMAULJX-INIZCTEOSA-N -1 0 325.368 2.896 20 30 EFEDRM Cc1nc(SCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(C#N)c(C)c1C ZINC000738868955 600645303 /nfs/dbraw/zinc/64/53/03/600645303.db2.gz OUDDJIGENPGZOD-AWEZNQCLSA-N -1 0 349.456 2.586 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736696044 600648550 /nfs/dbraw/zinc/64/85/50/600648550.db2.gz GDIPIZHBCLORAJ-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736097337 600656807 /nfs/dbraw/zinc/65/68/07/600656807.db2.gz HWQXJTDYMNUKDP-UHFFFAOYSA-N -1 0 347.415 2.944 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736097272 600656820 /nfs/dbraw/zinc/65/68/20/600656820.db2.gz CHXVLXKLCRDDBR-UHFFFAOYSA-N -1 0 333.388 2.920 20 30 EFEDRM C#CCOc1ccc(F)cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736090299 600680320 /nfs/dbraw/zinc/68/03/20/600680320.db2.gz ZXBKWYFWVIHQNA-UHFFFAOYSA-N -1 0 342.326 2.587 20 30 EFEDRM N#CCc1ccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000833069393 600691567 /nfs/dbraw/zinc/69/15/67/600691567.db2.gz WHGNFCQZDGJVBG-AWEZNQCLSA-N -1 0 341.392 2.730 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000832919382 600708730 /nfs/dbraw/zinc/70/87/30/600708730.db2.gz HIAZWRZOZRJLQA-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1ccc(C#N)cc1C ZINC000738539814 600721201 /nfs/dbraw/zinc/72/12/01/600721201.db2.gz HQWYMLPHSIHWNB-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000833069621 600733934 /nfs/dbraw/zinc/73/39/34/600733934.db2.gz IPJOIGJPAUKIGV-UHFFFAOYSA-N -1 0 330.271 2.850 20 30 EFEDRM C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000827652676 600762350 /nfs/dbraw/zinc/76/23/50/600762350.db2.gz HWQPFTWXRWIKGK-WFASDCNBSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827665893 600764474 /nfs/dbraw/zinc/76/44/74/600764474.db2.gz XCFGZLHSCODGKB-CYBMUJFWSA-N -1 0 337.379 2.859 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000832859558 600777764 /nfs/dbraw/zinc/77/77/64/600777764.db2.gz SXYCNYZNRZSVTG-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC(C)(C)CC(=O)[O-])cc1OC ZINC000736113712 600778378 /nfs/dbraw/zinc/77/83/78/600778378.db2.gz AQZHSHMKIJZZNI-VQHVLOKHSA-N -1 0 333.384 2.643 20 30 EFEDRM Cc1cc(C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738330953 600789955 /nfs/dbraw/zinc/78/99/55/600789955.db2.gz BZWOOXMMPZQIPS-UHFFFAOYSA-N -1 0 339.395 2.949 20 30 EFEDRM C[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1cccc(C#N)c1 ZINC000827682278 600813185 /nfs/dbraw/zinc/81/31/85/600813185.db2.gz VIZHVMWRLCEFJQ-SECBINFHSA-N -1 0 330.369 2.525 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC000826127211 600817563 /nfs/dbraw/zinc/81/75/63/600817563.db2.gz PZHVFLPMWKQGAD-UHFFFAOYSA-N -1 0 326.312 2.967 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736088695 600830565 /nfs/dbraw/zinc/83/05/65/600830565.db2.gz AZSHKGOGUSSEOF-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833075618 600872394 /nfs/dbraw/zinc/87/23/94/600872394.db2.gz UMQULUACXVKSOF-ZIAGYGMSSA-N -1 0 346.452 2.799 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825681937 600913972 /nfs/dbraw/zinc/91/39/72/600913972.db2.gz MQXSIOMYXFHRQL-SJORKVTESA-N -1 0 326.396 2.964 20 30 EFEDRM Cc1nc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)sc1SCC#N ZINC000833004280 600920677 /nfs/dbraw/zinc/92/06/77/600920677.db2.gz UGAGPKACKNSISJ-UWVGGRQHSA-N -1 0 339.442 2.897 20 30 EFEDRM Cc1cc2nnc(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)n2c(C)n1 ZINC000738486666 600937486 /nfs/dbraw/zinc/93/74/86/600937486.db2.gz FUNGNSINWCVVRV-AWEZNQCLSA-N -1 0 339.380 2.531 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825967487 600943516 /nfs/dbraw/zinc/94/35/16/600943516.db2.gz XJVSRNXTIIYINW-TXPKVOOTSA-N -1 0 328.412 2.909 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000828586812 600952779 /nfs/dbraw/zinc/95/27/79/600952779.db2.gz KBLOMGJYZGURNK-ARFHVFGLSA-N -1 0 344.411 2.875 20 30 EFEDRM CCOc1ccc(-c2nc(CN(CC#N)CC(=O)[O-])cs2)cc1 ZINC000830054181 601006040 /nfs/dbraw/zinc/00/60/40/601006040.db2.gz RAMFDXGVQKQAMQ-UHFFFAOYSA-N -1 0 331.397 2.619 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000833071940 601024007 /nfs/dbraw/zinc/02/40/07/601024007.db2.gz QMQONFADMZJVTH-UHFFFAOYSA-N -1 0 340.339 2.849 20 30 EFEDRM C#CCOc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000825631574 601047003 /nfs/dbraw/zinc/04/70/03/601047003.db2.gz FYEOEJYVAIQTQI-KRWDZBQOSA-N -1 0 338.363 2.689 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831841644 601057231 /nfs/dbraw/zinc/05/72/31/601057231.db2.gz JHFQEXRARRYAOF-HNNXBMFYSA-N -1 0 331.299 2.789 20 30 EFEDRM C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)CC1 ZINC000825660115 601080940 /nfs/dbraw/zinc/08/09/40/601080940.db2.gz UCUWPALVPISCTQ-UHFFFAOYSA-N -1 0 334.372 2.832 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000818624681 601085607 /nfs/dbraw/zinc/08/56/07/601085607.db2.gz WXMJFLJPBCGXIX-LBPRGKRZSA-N -1 0 336.363 2.706 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cn1 ZINC000825636959 601091704 /nfs/dbraw/zinc/09/17/04/601091704.db2.gz XXKDKXWTMLNZCF-DOTOQJQBSA-N -1 0 326.396 2.559 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000261598272 601099061 /nfs/dbraw/zinc/09/90/61/601099061.db2.gz ALBWVKKTJAWDHS-SNVBAGLBSA-N -1 0 341.289 2.906 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000825642135 601116246 /nfs/dbraw/zinc/11/62/46/601116246.db2.gz IJZQGIZCPSNFTL-ZDUSSCGKSA-N -1 0 348.399 2.771 20 30 EFEDRM C=CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000825671003 601126563 /nfs/dbraw/zinc/12/65/63/601126563.db2.gz AHTYPKHTSJYDFD-OAHLLOKOSA-N -1 0 347.411 2.961 20 30 EFEDRM C[C@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000827861771 601132883 /nfs/dbraw/zinc/13/28/83/601132883.db2.gz NZXUGALMYHHHMZ-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000832946820 601136857 /nfs/dbraw/zinc/13/68/57/601136857.db2.gz JCJJFKAVBYNOLG-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000826031201 601168710 /nfs/dbraw/zinc/16/87/10/601168710.db2.gz HZFCMZGVAUCSDD-SCLBCKFNSA-N -1 0 338.363 2.515 20 30 EFEDRM CN(CCCC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000830768312 601174289 /nfs/dbraw/zinc/17/42/89/601174289.db2.gz MAXRGWIIJVMYIQ-UHFFFAOYSA-N -1 0 343.301 2.990 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 ZINC000829069847 601202404 /nfs/dbraw/zinc/20/24/04/601202404.db2.gz TXOMHLKBGRSVTP-CQSZACIVSA-N -1 0 331.397 2.845 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000825671284 601216721 /nfs/dbraw/zinc/21/67/21/601216721.db2.gz KGZNVMCBHIDNEK-UHFFFAOYSA-N -1 0 347.458 2.822 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCn1cccc1 ZINC000825702527 601223270 /nfs/dbraw/zinc/22/32/70/601223270.db2.gz PKKQWNBMINTCHQ-UHFFFAOYSA-N -1 0 329.352 2.919 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C#N)cc2C)c1C ZINC000832859801 601233452 /nfs/dbraw/zinc/23/34/52/601233452.db2.gz XOKYGOMQKZQUIE-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832859792 601233454 /nfs/dbraw/zinc/23/34/54/601233454.db2.gz XEBQSFNNCFAFOA-UITAMQMPSA-N -1 0 343.360 2.732 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833039216 601235789 /nfs/dbraw/zinc/23/57/89/601235789.db2.gz ZTBBFDSRNDTVHU-JHJVBQTASA-N -1 0 325.368 2.641 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1F ZINC000833071063 601241007 /nfs/dbraw/zinc/24/10/07/601241007.db2.gz GPWWNEFSSYNCQS-BAQGIRSFSA-N -1 0 347.323 2.563 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC000833066236 601244790 /nfs/dbraw/zinc/24/47/90/601244790.db2.gz YUVMYJNQAFIWRJ-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000162569496 601245794 /nfs/dbraw/zinc/24/57/94/601245794.db2.gz VFOUHVRTIXTZLU-ZETCQYMHSA-N -1 0 338.212 2.935 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000825671050 601249656 /nfs/dbraw/zinc/24/96/56/601249656.db2.gz BLURNIQYBYBUOJ-UHFFFAOYSA-N -1 0 341.429 2.760 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000833041775 601253616 /nfs/dbraw/zinc/25/36/16/601253616.db2.gz QJXSZJOKXHOICG-UHFFFAOYSA-N -1 0 349.140 2.577 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000828804889 601268738 /nfs/dbraw/zinc/26/87/38/601268738.db2.gz VKICXICXSYBKFL-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000826032111 601296471 /nfs/dbraw/zinc/29/64/71/601296471.db2.gz YLXDVPFZTAAJMK-FZKQIMNGSA-N -1 0 338.363 2.515 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833075926 601297976 /nfs/dbraw/zinc/29/79/76/601297976.db2.gz OMESEKMSLPPRDM-GOSISDBHSA-N -1 0 335.363 2.923 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000833074211 601302179 /nfs/dbraw/zinc/30/21/79/601302179.db2.gz RVRKIHMYJLDLBZ-KGLIPLIRSA-N -1 0 342.317 2.727 20 30 EFEDRM COC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831198332 601303255 /nfs/dbraw/zinc/30/32/55/601303255.db2.gz HDWIDJUYDNLAAO-INIZCTEOSA-N -1 0 339.351 2.999 20 30 EFEDRM COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000831083734 601310206 /nfs/dbraw/zinc/31/02/06/601310206.db2.gz BRKWQPUMRVUGMS-INIZCTEOSA-N -1 0 342.351 2.504 20 30 EFEDRM CC(C)c1nc2c(n1C)CCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000827152223 601316262 /nfs/dbraw/zinc/31/62/62/601316262.db2.gz DAHXKFVDHDONBA-QGZVFWFLSA-N -1 0 338.411 2.599 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2ncnc3sc4c(c32)CCC4)[nH]1 ZINC000749813087 601336041 /nfs/dbraw/zinc/33/60/41/601336041.db2.gz WMIIYPLQUVYUKY-UHFFFAOYSA-N -1 0 327.369 2.652 20 30 EFEDRM CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830071187 601343504 /nfs/dbraw/zinc/34/35/04/601343504.db2.gz QCNWMTBYLDGWJY-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000832963168 601343525 /nfs/dbraw/zinc/34/35/25/601343525.db2.gz MHZGDJWPLZBCOT-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(=O)[nH]c3ccccc32)C(=O)[O-])c1 ZINC000833077335 601344742 /nfs/dbraw/zinc/34/47/42/601344742.db2.gz PNXWVRCXYNYLCU-QGZVFWFLSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000833075803 601344821 /nfs/dbraw/zinc/34/48/21/601344821.db2.gz FBOUEEDOVRJSEU-GFCCVEGCSA-N -1 0 332.293 2.511 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000832853714 601344909 /nfs/dbraw/zinc/34/49/09/601344909.db2.gz MEWZIGYIHKNHBG-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM CCc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830282408 601344965 /nfs/dbraw/zinc/34/49/65/601344965.db2.gz UJDUANLQUCZILI-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1ccc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832280993 601345000 /nfs/dbraw/zinc/34/50/00/601345000.db2.gz HFORNYJWANPTJK-RUJXFNLJSA-N -1 0 337.331 2.949 20 30 EFEDRM Cc1cccc(C)c1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832965910 601345163 /nfs/dbraw/zinc/34/51/63/601345163.db2.gz ULCUFUXXEYPTBY-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3ccccc3oc2=O)C(=O)[O-])c1 ZINC000833077155 601345196 /nfs/dbraw/zinc/34/51/96/601345196.db2.gz LUJXUNKJBDSDCO-MRXNPFEDSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)cc2N)C(=O)[O-])c1 ZINC000833075397 601345201 /nfs/dbraw/zinc/34/52/01/601345201.db2.gz ARTRMEZVZVKHEL-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)cc2N)C(=O)[O-])c1 ZINC000833075398 601345208 /nfs/dbraw/zinc/34/52/08/601345208.db2.gz ARTRMEZVZVKHEL-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(F)c1 ZINC000832212556 601345739 /nfs/dbraw/zinc/34/57/39/601345739.db2.gz INGDWPAXCWBARF-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1ccc(OC)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832431985 601346773 /nfs/dbraw/zinc/34/67/73/601346773.db2.gz WZECLIWCKNFCOD-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827879665 601348043 /nfs/dbraw/zinc/34/80/43/601348043.db2.gz VGYSDYIJBHCCRN-SUMWQHHRSA-N -1 0 339.347 2.832 20 30 EFEDRM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894941 601348156 /nfs/dbraw/zinc/34/81/56/601348156.db2.gz CSUADAOGKHPIBT-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(Cl)c2N)C(=O)[O-])c1 ZINC000833077513 601348243 /nfs/dbraw/zinc/34/82/43/601348243.db2.gz VDRITUZGSMIEEM-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM Cc1sc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000833034388 601348723 /nfs/dbraw/zinc/34/87/23/601348723.db2.gz ZVBFJBGHOQSELH-ZDUSSCGKSA-N -1 0 346.320 2.819 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])c1 ZINC000833075512 601349652 /nfs/dbraw/zinc/34/96/52/601349652.db2.gz CBBSODLWHRMKTQ-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM CCc1ccc(O)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830254222 601351000 /nfs/dbraw/zinc/35/10/00/601351000.db2.gz VPLWFOAAJJPZCA-INIZCTEOSA-N -1 0 325.320 2.809 20 30 EFEDRM Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020078 601352151 /nfs/dbraw/zinc/35/21/51/601352151.db2.gz SYESLPOPWZRLBN-BJOHPYRUSA-N -1 0 328.324 2.636 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])c1 ZINC000833076080 601352554 /nfs/dbraw/zinc/35/25/54/601352554.db2.gz IJCTTYKSIXDSFQ-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(N3CC=CC3)c2)C(=O)[O-])c1 ZINC000833076100 601355827 /nfs/dbraw/zinc/35/58/27/601355827.db2.gz IVFCQVOQKDZYPH-GOSISDBHSA-N -1 0 348.358 2.917 20 30 EFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)OC/C=C(\C)C(=O)[O-] ZINC000825702335 601409718 /nfs/dbraw/zinc/40/97/18/601409718.db2.gz KKPQBDPBAKTMOA-UKTHLTGXSA-N -1 0 342.351 2.625 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000833065179 601427107 /nfs/dbraw/zinc/42/71/07/601427107.db2.gz UQFOGIUUZVSLOG-PBHICJAKSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833064110 601427857 /nfs/dbraw/zinc/42/78/57/601427857.db2.gz FIKNHPYZIBNLFO-NVXWUHKLSA-N -1 0 335.363 2.692 20 30 EFEDRM N#Cc1csc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000748662190 601481232 /nfs/dbraw/zinc/48/12/32/601481232.db2.gz QTSFOQWRECAVCX-YHYXMXQVSA-N -1 0 338.435 2.686 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000825671664 601493371 /nfs/dbraw/zinc/49/33/71/601493371.db2.gz ZLYKSVFOGMDJRH-UHFFFAOYSA-N -1 0 336.413 2.687 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(C#N)cs1)C(=O)[O-] ZINC000827454503 601537190 /nfs/dbraw/zinc/53/71/90/601537190.db2.gz BAAWRTDPHILWGW-GFCCVEGCSA-N -1 0 328.393 2.983 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(C#N)cs1)C(=O)[O-] ZINC000827454504 601537314 /nfs/dbraw/zinc/53/73/14/601537314.db2.gz BAAWRTDPHILWGW-LBPRGKRZSA-N -1 0 328.393 2.983 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)cs2)cc1 ZINC000832235612 601548656 /nfs/dbraw/zinc/54/86/56/601548656.db2.gz MLZPPCTZIBTBDB-CYBMUJFWSA-N -1 0 330.365 2.574 20 30 EFEDRM Cc1cc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000832889358 601564732 /nfs/dbraw/zinc/56/47/32/601564732.db2.gz QOXGTNYPMIWCSG-JSGCOSHPSA-N -1 0 334.379 2.825 20 30 EFEDRM O=C([O-])CNC(=O)c1ccc(NCC#Cc2ccc(Cl)cc2)cc1 ZINC000833253080 601578522 /nfs/dbraw/zinc/57/85/22/601578522.db2.gz HGTZCDVIVFMYDV-UHFFFAOYSA-N -1 0 342.782 2.618 20 30 EFEDRM CCN(CC#N)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC000829619183 601593497 /nfs/dbraw/zinc/59/34/97/601593497.db2.gz UXGYKKSOOQJRBO-UHFFFAOYSA-N -1 0 339.395 2.821 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])c1 ZINC000833077368 601607614 /nfs/dbraw/zinc/60/76/14/601607614.db2.gz QNEOSJXLQOMGAO-HNNXBMFYSA-N -1 0 342.257 2.691 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2c(F)cccc2F)C(=O)[O-])cc1 ZINC000833073158 601608433 /nfs/dbraw/zinc/60/84/33/601608433.db2.gz WFWSTKHGDULHHC-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000826032142 601609330 /nfs/dbraw/zinc/60/93/30/601609330.db2.gz ZKRDYSDZUUQAHV-FZKQIMNGSA-N -1 0 337.379 2.548 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000826032139 601609378 /nfs/dbraw/zinc/60/93/78/601609378.db2.gz ZKRDYSDZUUQAHV-ACJLOTCBSA-N -1 0 337.379 2.548 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000827213778 601616769 /nfs/dbraw/zinc/61/67/69/601616769.db2.gz QTJBBOWEDJVMEP-GFCCVEGCSA-N -1 0 330.388 2.751 20 30 EFEDRM CC(C)C(=O)N1CCC(=NOCc2ccc(F)cc2C(=O)[O-])CC1 ZINC000826651809 601631360 /nfs/dbraw/zinc/63/13/60/601631360.db2.gz NCFOULZYGMFXJZ-UHFFFAOYSA-N -1 0 336.363 2.675 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000833069076 601658720 /nfs/dbraw/zinc/65/87/20/601658720.db2.gz UDAPGSDASKMAII-LLVKDONJSA-N -1 0 336.319 2.844 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)c1c(F)cc(C#N)cc1F ZINC000832524392 601672198 /nfs/dbraw/zinc/67/21/98/601672198.db2.gz WPJFREBKFWWGPN-UHFFFAOYSA-N -1 0 333.246 2.762 20 30 EFEDRM CC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000818308201 601677599 /nfs/dbraw/zinc/67/75/99/601677599.db2.gz ZCZDUBOCPOVJAN-QGZVFWFLSA-N -1 0 338.363 2.730 20 30 EFEDRM CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000830519480 601679636 /nfs/dbraw/zinc/67/96/36/601679636.db2.gz SEWYKFMBSOAIAH-HNNXBMFYSA-N -1 0 330.290 2.734 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000831837401 601699197 /nfs/dbraw/zinc/69/91/97/601699197.db2.gz ZOLZBASWFGXYOC-OAHLLOKOSA-N -1 0 346.770 2.876 20 30 EFEDRM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000776645454 601716442 /nfs/dbraw/zinc/71/64/42/601716442.db2.gz KJLXZSOCNIBJOZ-HXUWFJFHSA-N -1 0 337.350 2.725 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827894875 601720727 /nfs/dbraw/zinc/72/07/27/601720727.db2.gz BRGIVNBGDXRXOJ-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@H](CS(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000827569991 601770702 /nfs/dbraw/zinc/77/07/02/601770702.db2.gz CJTXEHBVVPPOJW-GFCCVEGCSA-N -1 0 345.376 2.655 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000827038526 601784919 /nfs/dbraw/zinc/78/49/19/601784919.db2.gz QAQSHFMZABYVCU-AAEUAGOBSA-N -1 0 331.372 2.530 20 30 EFEDRM COc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc(OC)c1OC ZINC000831861402 601791294 /nfs/dbraw/zinc/79/12/94/601791294.db2.gz XMANBZSIMVHZRX-PLNGDYQASA-N -1 0 331.324 2.635 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1 ZINC000831783082 601792754 /nfs/dbraw/zinc/79/27/54/601792754.db2.gz CZQNTLVXGSUEON-WAYWQWQTSA-N -1 0 333.315 2.773 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000827928996 601829004 /nfs/dbraw/zinc/82/90/04/601829004.db2.gz TWTCOQTXEAFAHJ-GDBMZVCRSA-N -1 0 339.395 2.921 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cc(F)c(F)cc2C(=O)[O-])cc1 ZINC000833073509 601830467 /nfs/dbraw/zinc/83/04/67/601830467.db2.gz QERFJNOQJBYQFQ-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM CC(=NNC1CCOCC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000825804277 601848610 /nfs/dbraw/zinc/84/86/10/601848610.db2.gz CSEFVWRFCBLWRV-UHFFFAOYSA-N -1 0 333.413 2.796 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825705542 601889584 /nfs/dbraw/zinc/88/95/84/601889584.db2.gz LOPCNPCMHSBGQP-INIZCTEOSA-N -1 0 348.428 2.614 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833067609 601904685 /nfs/dbraw/zinc/90/46/85/601904685.db2.gz GROAHPNGGMYISE-ZFWWWQNUSA-N -1 0 330.384 2.742 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000833069154 601912354 /nfs/dbraw/zinc/91/23/54/601912354.db2.gz VVHHIWLTUZMVDU-SMDDNHRTSA-N -1 0 336.338 2.990 20 30 EFEDRM N#CCn1c(C(=O)NCc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC000821324864 601925979 /nfs/dbraw/zinc/92/59/79/601925979.db2.gz ULCPYWVWCSKLFT-UHFFFAOYSA-N -1 0 333.347 2.793 20 30 EFEDRM O=C([O-])c1occc1C=NNc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000833129150 601956662 /nfs/dbraw/zinc/95/66/62/601956662.db2.gz DRQAAAOGUFUJGH-UHFFFAOYSA-N -1 0 349.293 2.594 20 30 EFEDRM N#Cc1ccc(-c2nnc(CNc3cccc(CC(=O)[O-])c3)o2)cc1 ZINC000819096126 601967626 /nfs/dbraw/zinc/96/76/26/601967626.db2.gz YSWVPAKJVZGSJC-UHFFFAOYSA-N -1 0 334.335 2.847 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736472310 601971217 /nfs/dbraw/zinc/97/12/17/601971217.db2.gz RJBCTIWAKFYUPA-UHFFFAOYSA-N -1 0 344.415 2.621 20 30 EFEDRM CC(C)Oc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000827038479 601982588 /nfs/dbraw/zinc/98/25/88/601982588.db2.gz NVKYWWSABRCRGK-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825676084 602005982 /nfs/dbraw/zinc/00/59/82/602005982.db2.gz SSDODUYFKBQPLZ-LKFCYVNXSA-N -1 0 345.317 2.669 20 30 EFEDRM CN(C(=O)c1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830532744 602010978 /nfs/dbraw/zinc/01/09/78/602010978.db2.gz CLMIPSFSDGGYOU-HNNXBMFYSA-N -1 0 348.280 2.873 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077463 602016012 /nfs/dbraw/zinc/01/60/12/602016012.db2.gz TYGQQFDKXQVHRX-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000794858525 602065666 /nfs/dbraw/zinc/06/56/66/602065666.db2.gz MRTIWTQRRJISRX-LLVKDONJSA-N -1 0 329.312 2.893 20 30 EFEDRM CCCCCNC(=S)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794878651 602069674 /nfs/dbraw/zinc/06/96/74/602069674.db2.gz HSTSMAJAFDHWLM-LBPRGKRZSA-N -1 0 337.445 2.527 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCc2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000794894989 602072127 /nfs/dbraw/zinc/07/21/27/602072127.db2.gz AEVHJSOGPVPRGM-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794901113 602074119 /nfs/dbraw/zinc/07/41/19/602074119.db2.gz AHURFQJZUBLZQT-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@H](Oc1ccc(C=NNc2ccnc3ccccc32)cc1)C(=O)[O-] ZINC000794908678 602074535 /nfs/dbraw/zinc/07/45/35/602074535.db2.gz ILGYANWTOWORGV-ZDUSSCGKSA-N -1 0 335.363 2.955 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNc2cnnc3ccccc32)cc1)C(=O)[O-] ZINC000794912635 602075497 /nfs/dbraw/zinc/07/54/97/602075497.db2.gz IPLYVVTVBRMXEY-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccn(C3CCCC3)n2)C(=O)[O-])cc1 ZINC000833073321 602103406 /nfs/dbraw/zinc/10/34/06/602103406.db2.gz ZBFOAGRDMNYMJC-MRXNPFEDSA-N -1 0 339.351 2.853 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(F)c(C#N)c2)ccc1C(=O)[O-] ZINC000831322896 602104508 /nfs/dbraw/zinc/10/45/08/602104508.db2.gz NJHKQYVRQFBTGM-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000827241361 602182121 /nfs/dbraw/zinc/18/21/21/602182121.db2.gz WGBUHSQLNWVTKZ-RDDDGLTNSA-N -1 0 343.166 2.752 20 30 EFEDRM N#Cc1ccccc1COc1ccc(C(=O)OCCNC(=O)[O-])cc1 ZINC000739146378 602216159 /nfs/dbraw/zinc/21/61/59/602216159.db2.gz CHYHVTPWBYESGN-UHFFFAOYSA-N -1 0 340.335 2.562 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825966712 602227244 /nfs/dbraw/zinc/22/72/44/602227244.db2.gz KXCLPIVFPVEYAD-GFCCVEGCSA-N -1 0 341.367 2.927 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3cccs3)C2)cc1 ZINC000833071875 602232498 /nfs/dbraw/zinc/23/24/98/602232498.db2.gz MAZICVWMGNQKBP-GOEBONIOSA-N -1 0 328.393 2.819 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1S[C@H](CC)C(=O)[O-] ZINC000825711267 602239068 /nfs/dbraw/zinc/23/90/68/602239068.db2.gz WWAHJWWNQBVOOH-CYBMUJFWSA-N -1 0 333.413 2.998 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000827332953 602276897 /nfs/dbraw/zinc/27/68/97/602276897.db2.gz GDANUTARSLPANG-HMHNVIDESA-N -1 0 345.395 2.521 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000825692405 602285196 /nfs/dbraw/zinc/28/51/96/602285196.db2.gz TZHIYJIIAQKINB-VIFPVBQESA-N -1 0 337.426 2.748 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833068985 602302669 /nfs/dbraw/zinc/30/26/69/602302669.db2.gz JUAUABVXTQSZJJ-UHFFFAOYSA-N -1 0 327.315 2.641 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825682139 602360260 /nfs/dbraw/zinc/36/02/60/602360260.db2.gz PADAOOXQFFRJHN-UHFFFAOYSA-N -1 0 327.384 2.986 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736359589 602479380 /nfs/dbraw/zinc/47/93/80/602479380.db2.gz HTMSPKLTCOOQDQ-JOYOIKCWSA-N -1 0 335.360 2.904 20 30 EFEDRM N#C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739074686 602728045 /nfs/dbraw/zinc/72/80/45/602728045.db2.gz LCYQVIPPZHHFRR-NSHDSACASA-N -1 0 330.171 2.722 20 30 EFEDRM N#Cc1ccc(OCc2cccc(C(=O)OCCNC(=O)[O-])c2)cc1 ZINC000739129002 602866122 /nfs/dbraw/zinc/86/61/22/602866122.db2.gz NWBGJQMXUYIZTI-UHFFFAOYSA-N -1 0 340.335 2.562 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000736379797 602994993 /nfs/dbraw/zinc/99/49/93/602994993.db2.gz NCMMUWHGGYBMHV-CYBMUJFWSA-N -1 0 340.763 2.578 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738470255 603174623 /nfs/dbraw/zinc/17/46/23/603174623.db2.gz NNDNEXGDRYGKNF-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737019319 603263033 /nfs/dbraw/zinc/26/30/33/603263033.db2.gz FPTSSGAXBNJCEP-MRXNPFEDSA-N -1 0 344.415 2.622 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000831142314 603312100 /nfs/dbraw/zinc/31/21/00/603312100.db2.gz VYKCRXKUOLWTIL-UHFFFAOYSA-N -1 0 340.339 2.849 20 30 EFEDRM N#Cc1ccc(Oc2ccc(OC(=O)CCNC(=O)[O-])cc2)cc1 ZINC000831141758 604050762 /nfs/dbraw/zinc/05/07/62/604050762.db2.gz MTKWXBFCUYNLNK-UHFFFAOYSA-N -1 0 326.308 2.914 20 30 EFEDRM N#Cc1cccc(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000739134130 604157485 /nfs/dbraw/zinc/15/74/85/604157485.db2.gz WELZYTOXEUPFNH-UHFFFAOYSA-N -1 0 338.367 2.690 20 30 EFEDRM C=CCCC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825664550 604341205 /nfs/dbraw/zinc/34/12/05/604341205.db2.gz DQIDJMDRMBQIGP-INIZCTEOSA-N -1 0 336.819 2.576 20 30 EFEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000827017247 604396891 /nfs/dbraw/zinc/39/68/91/604396891.db2.gz WPTMXGZGQKCLBA-HNNXBMFYSA-N -1 0 343.345 2.867 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832849400 604399449 /nfs/dbraw/zinc/39/94/49/604399449.db2.gz GDYPZMQNUQNNNN-YFHOEESVSA-N -1 0 342.376 2.765 20 30 EFEDRM Cc1c(C#N)cccc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832849647 604400790 /nfs/dbraw/zinc/40/07/90/604400790.db2.gz NOXZRDDETAVFKR-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ncc(C#N)cc1Cl ZINC000832902398 604431733 /nfs/dbraw/zinc/43/17/33/604431733.db2.gz TYBRJCIGIOJFRD-UHFFFAOYSA-N -1 0 345.742 2.631 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2cc(C(=O)[O-])oc2CC)s1 ZINC000825691894 604432967 /nfs/dbraw/zinc/43/29/67/604432967.db2.gz CHHNWKMGEXPOJW-UHFFFAOYSA-N -1 0 336.369 2.952 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000833072323 604488481 /nfs/dbraw/zinc/48/84/81/604488481.db2.gz RNPWWFAMOIRBII-KRWDZBQOSA-N -1 0 332.363 2.660 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825642035 604508917 /nfs/dbraw/zinc/50/89/17/604508917.db2.gz DJMASIXCYRASBL-OAHLLOKOSA-N -1 0 334.416 2.730 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000833468850 604515151 /nfs/dbraw/zinc/51/51/51/604515151.db2.gz RMIOJUUALNYOAU-CMPLNLGQSA-N -1 0 344.198 2.966 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000825631745 604517230 /nfs/dbraw/zinc/51/72/30/604517230.db2.gz LPKMDWVLQJYUGI-UHFFFAOYSA-N -1 0 330.365 2.780 20 30 EFEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000833386468 604536838 /nfs/dbraw/zinc/53/68/38/604536838.db2.gz HXXYQGWGURDMDQ-UHFFFAOYSA-N -1 0 344.758 2.906 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-])OCC ZINC000833367791 604541988 /nfs/dbraw/zinc/54/19/88/604541988.db2.gz VKORGKHBDJZEKY-ZDUSSCGKSA-N -1 0 337.372 2.712 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833539427 604580976 /nfs/dbraw/zinc/58/09/76/604580976.db2.gz FZAXIMRGBHRPIB-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM COc1ccc(CCC(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833731598 604581754 /nfs/dbraw/zinc/58/17/54/604581754.db2.gz KZNCXIXZSGLHKW-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832152870 604598355 /nfs/dbraw/zinc/59/83/55/604598355.db2.gz OIVNZWQDPRXUOQ-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM Cc1cc([C@H](C)OC(=O)C#Cc2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000832874013 604600149 /nfs/dbraw/zinc/60/01/49/604600149.db2.gz JMRLWHRIGCCYKB-NSHDSACASA-N -1 0 342.303 2.671 20 30 EFEDRM CC(C)(C)OC(=O)C1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833432893 604607405 /nfs/dbraw/zinc/60/74/05/604607405.db2.gz SAIINLYYHJWULU-UHFFFAOYSA-N -1 0 344.411 2.810 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833432235 604612568 /nfs/dbraw/zinc/61/25/68/604612568.db2.gz JQEOVCIYAFNHNI-HNNXBMFYSA-N -1 0 330.384 2.563 20 30 EFEDRM O=C([O-])N1C/C(=C\c2cncs2)C(=O)/C(=C\c2cncs2)C1 ZINC000833356967 604629073 /nfs/dbraw/zinc/62/90/73/604629073.db2.gz XXXVDJIMKKVHMO-NTXSPULPSA-N -1 0 333.394 2.629 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833360142 604637501 /nfs/dbraw/zinc/63/75/01/604637501.db2.gz DLXCJBYKSJWOAO-KRWDZBQOSA-N -1 0 343.404 2.569 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000833363067 604638283 /nfs/dbraw/zinc/63/82/83/604638283.db2.gz ZODYJMJCAKGTOU-CQSZACIVSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833360843 604655970 /nfs/dbraw/zinc/65/59/70/604655970.db2.gz PKWNQIHDJJRFRW-JKSUJKDBSA-N -1 0 326.396 2.647 20 30 EFEDRM CCCOc1ccc(Br)cc1CN(CC#N)CC(=O)[O-] ZINC000833651943 604658440 /nfs/dbraw/zinc/65/84/40/604658440.db2.gz ILTOFMAYLMPTFQ-UHFFFAOYSA-N -1 0 341.205 2.648 20 30 EFEDRM Cc1nc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000833003391 604665297 /nfs/dbraw/zinc/66/52/97/604665297.db2.gz LEZUIQPKAAKZLP-UHFFFAOYSA-N -1 0 345.380 2.818 20 30 EFEDRM C[C@H](Oc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1)C(=O)[O-] ZINC000833538157 604685527 /nfs/dbraw/zinc/68/55/27/604685527.db2.gz QYHRFVGSOHZMNF-KBICQTFXSA-N -1 0 339.347 2.852 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000825692172 604743796 /nfs/dbraw/zinc/74/37/96/604743796.db2.gz LRMVRPHGWQEZEQ-FZMZJTMJSA-N -1 0 345.424 2.933 20 30 EFEDRM C=CCn1c(SC[C@H](F)C(=O)[O-])nnc1-c1cccc(OC)c1 ZINC000825710916 604752233 /nfs/dbraw/zinc/75/22/33/604752233.db2.gz HGOJVSAJMHMGDV-LBPRGKRZSA-N -1 0 337.376 2.655 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H](O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000833076014 604835500 /nfs/dbraw/zinc/83/55/00/604835500.db2.gz GBUDLZYRIMZBLU-HUUCEWRRSA-N -1 0 345.738 2.614 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(NC(=O)CCc2ccccc2C(=O)[O-])n1 ZINC000833453175 604837556 /nfs/dbraw/zinc/83/75/56/604837556.db2.gz WAZYOTQPHLATTG-UHFFFAOYSA-N -1 0 340.383 2.779 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181900107 604869732 /nfs/dbraw/zinc/86/97/32/604869732.db2.gz RCONNFSCHSSZCE-NOZJJQNGSA-N -1 0 329.755 2.702 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000831836448 604881147 /nfs/dbraw/zinc/88/11/47/604881147.db2.gz GMLLNMJJASJFAT-MRXNPFEDSA-N -1 0 326.352 2.613 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224985 604881762 /nfs/dbraw/zinc/88/17/62/604881762.db2.gz MMIGLLLWHGLXMT-SUMWQHHRSA-N -1 0 338.363 2.658 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224982 604881997 /nfs/dbraw/zinc/88/19/97/604881997.db2.gz MMIGLLLWHGLXMT-DYVFJYSZSA-N -1 0 338.363 2.658 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000833417754 604884463 /nfs/dbraw/zinc/88/44/63/604884463.db2.gz XIABLKZHAZQSPN-CYBMUJFWSA-N -1 0 330.384 2.552 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000825647225 604920361 /nfs/dbraw/zinc/92/03/61/604920361.db2.gz HJKFGRMBBZVXQT-UHFFFAOYSA-N -1 0 342.779 2.518 20 30 EFEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000833685897 604937813 /nfs/dbraw/zinc/93/78/13/604937813.db2.gz UBTVPTJYTGAXJF-UHFFFAOYSA-N -1 0 338.319 2.712 20 30 EFEDRM C=CCOCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833375783 604943997 /nfs/dbraw/zinc/94/39/97/604943997.db2.gz LOKLJDHMIQWJAR-UHFFFAOYSA-N -1 0 348.580 2.942 20 30 EFEDRM N#CC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCCC1 ZINC000833065273 604957100 /nfs/dbraw/zinc/95/71/00/604957100.db2.gz WTQRRXGXRPOGKU-UHFFFAOYSA-N -1 0 341.411 2.872 20 30 EFEDRM O=C([O-])c1cccc(NC2CCN(C(=O)C#Cc3ccccc3)CC2)c1 ZINC000833330557 604957829 /nfs/dbraw/zinc/95/78/29/604957829.db2.gz UULHIYCSMTXPGP-UHFFFAOYSA-N -1 0 348.402 2.839 20 30 EFEDRM COc1ccc(C#N)cc1CNc1ccc(OCC(=O)[O-])cc1C ZINC000832153218 604984893 /nfs/dbraw/zinc/98/48/93/604984893.db2.gz WZIMMLFQACJZCS-UHFFFAOYSA-N -1 0 326.352 2.951 20 30 EFEDRM C[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1cccc(C#N)c1 ZINC000827682518 604993599 /nfs/dbraw/zinc/99/35/99/604993599.db2.gz ZRZKQIBDAHAPSG-SNVBAGLBSA-N -1 0 344.396 2.915 20 30 EFEDRM C#CCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833362846 605014551 /nfs/dbraw/zinc/01/45/51/605014551.db2.gz MYIUTDXYYHPCBZ-OAHLLOKOSA-N -1 0 327.302 2.882 20 30 EFEDRM C#CCCCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833362791 605014707 /nfs/dbraw/zinc/01/47/07/605014707.db2.gz LIANZIZVPKTKHZ-UHFFFAOYSA-N -1 0 328.412 2.981 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000833461937 605020998 /nfs/dbraw/zinc/02/09/98/605020998.db2.gz ZTMZDXPZYKSHIK-UHFFFAOYSA-N -1 0 337.379 2.888 20 30 EFEDRM CCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000833649362 605023326 /nfs/dbraw/zinc/02/33/26/605023326.db2.gz LQJGJCQIHXWSCQ-HNNXBMFYSA-N -1 0 339.351 2.729 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833367881 605024367 /nfs/dbraw/zinc/02/43/67/605024367.db2.gz ADRHCBXAEANVGM-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccncc1 ZINC000833369622 605028309 /nfs/dbraw/zinc/02/83/09/605028309.db2.gz BIVWJLYAWYANAV-AWEZNQCLSA-N -1 0 346.408 2.684 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000160967069 605029279 /nfs/dbraw/zinc/02/92/79/605029279.db2.gz XPRIIGFVNANCTG-UHFFFAOYSA-N -1 0 331.802 2.630 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000833455200 605034341 /nfs/dbraw/zinc/03/43/41/605034341.db2.gz LXMJELNYNUUOOG-UHFFFAOYSA-N -1 0 343.339 2.542 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000833406228 605038046 /nfs/dbraw/zinc/03/80/46/605038046.db2.gz LXBIRGNRBGEAQB-NSHDSACASA-N -1 0 341.396 2.563 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000833406227 605038074 /nfs/dbraw/zinc/03/80/74/605038074.db2.gz LXBIRGNRBGEAQB-LLVKDONJSA-N -1 0 341.396 2.563 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833379043 605077572 /nfs/dbraw/zinc/07/75/72/605077572.db2.gz WCZUICZPGUNIIB-OAHLLOKOSA-N -1 0 331.299 2.768 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833378754 605077588 /nfs/dbraw/zinc/07/75/88/605077588.db2.gz MPDFEBOZKDMHHB-UHFFFAOYSA-N -1 0 327.336 2.631 20 30 EFEDRM CC(C)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc(=O)[nH]1 ZINC000833509021 605077756 /nfs/dbraw/zinc/07/77/56/605077756.db2.gz AXEZTLKPLNZPEA-UHFFFAOYSA-N -1 0 340.335 2.837 20 30 EFEDRM CC(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(=O)[nH]1 ZINC000833509395 605078778 /nfs/dbraw/zinc/07/87/78/605078778.db2.gz LBJWMMGSUAPSLG-INIZCTEOSA-N -1 0 340.335 2.765 20 30 EFEDRM CC(C)(C#N)CNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000833414023 605078876 /nfs/dbraw/zinc/07/88/76/605078876.db2.gz YCBQFJJOLFXVDQ-UHFFFAOYSA-N -1 0 346.774 2.546 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833373102 605084586 /nfs/dbraw/zinc/08/45/86/605084586.db2.gz FZACAUOVJCFOGT-JTQLQIEISA-N -1 0 337.351 2.715 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000164744894 605129286 /nfs/dbraw/zinc/12/92/86/605129286.db2.gz SYLXUONHOMDXBB-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCO[C@H](C)C1 ZINC000833379636 605130005 /nfs/dbraw/zinc/13/00/05/605130005.db2.gz JDGHMMIKMVPKKG-YPMHNXCESA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCn1c(C)nn(CN2CC[C@H](C(=O)[O-])c3ccccc32)c1=S ZINC000833380163 605155443 /nfs/dbraw/zinc/15/54/43/605155443.db2.gz WBRGYRVNVJGOIE-AWEZNQCLSA-N -1 0 344.440 2.945 20 30 EFEDRM CCOc1cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc1OCC(=O)[O-] ZINC000833663898 605164852 /nfs/dbraw/zinc/16/48/52/605164852.db2.gz UXIXPCHVZMZENM-NSHDSACASA-N -1 0 335.356 2.644 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1)C(=O)[O-] ZINC000833539356 605165535 /nfs/dbraw/zinc/16/55/35/605165535.db2.gz YZNGZDGNVODZCD-TZOMUSMUSA-N -1 0 328.320 2.846 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1)C(=O)[O-] ZINC000833539352 605165872 /nfs/dbraw/zinc/16/58/72/605165872.db2.gz YZNGZDGNVODZCD-MEQVVJDKSA-N -1 0 328.320 2.846 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472693 605166974 /nfs/dbraw/zinc/16/69/74/605166974.db2.gz VNJJJVUUYOXMRJ-INIZCTEOSA-N -1 0 339.351 2.694 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnc(C)nc1C ZINC000833379991 605201165 /nfs/dbraw/zinc/20/11/65/605201165.db2.gz SODFFIBTMXOQCZ-UHFFFAOYSA-N -1 0 342.351 2.748 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000833368547 605202141 /nfs/dbraw/zinc/20/21/41/605202141.db2.gz QHBYQEHIAUFCME-UHFFFAOYSA-N -1 0 333.365 2.563 20 30 EFEDRM C=CCNc1ncc(C(=O)N(CCc2ccccc2)CC(=O)[O-])s1 ZINC000833376210 605237437 /nfs/dbraw/zinc/23/74/37/605237437.db2.gz XRAWFCOWBSWHOA-UHFFFAOYSA-N -1 0 345.424 2.511 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000398058349 605250070 /nfs/dbraw/zinc/25/00/70/605250070.db2.gz GDBAFRIATJJMBH-SECBINFHSA-N -1 0 333.356 2.686 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1OC ZINC000833377982 605251162 /nfs/dbraw/zinc/25/11/62/605251162.db2.gz UTOSEPMETPAWOP-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccccc1OCC(=O)[O-] ZINC000833386464 605329779 /nfs/dbraw/zinc/32/97/79/605329779.db2.gz HURXSLDKRBJZEY-UHFFFAOYSA-N -1 0 344.758 2.906 20 30 EFEDRM CC(N=Nc1ncnc2ccsc21)c1ccccc1OCC(=O)[O-] ZINC000833387199 605330204 /nfs/dbraw/zinc/33/02/04/605330204.db2.gz SZUHFQXFUPEWSE-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000833583085 605347230 /nfs/dbraw/zinc/34/72/30/605347230.db2.gz GFFPDDMNFXOSFG-BPQIPLTHSA-N -1 0 326.396 2.906 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)O1 ZINC000833583088 605347323 /nfs/dbraw/zinc/34/73/23/605347323.db2.gz GFFPDDMNFXOSFG-NXHRZFHOSA-N -1 0 326.396 2.906 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000833550695 605399952 /nfs/dbraw/zinc/39/99/52/605399952.db2.gz CPABLUFOSBMQND-QGZVFWFLSA-N -1 0 330.388 2.654 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833374548 605445590 /nfs/dbraw/zinc/44/55/90/605445590.db2.gz PUHDBRRPPZRGOC-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM COc1ccc(O)c(/C=N\Cc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833733957 605574550 /nfs/dbraw/zinc/57/45/50/605574550.db2.gz WUFRGBAQKIYJJV-OCKHKDLRSA-N -1 0 326.352 2.991 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833432908 605600775 /nfs/dbraw/zinc/60/07/75/605600775.db2.gz SBZXSVPYYVQCCM-QGZVFWFLSA-N -1 0 347.371 2.977 20 30 EFEDRM CC(C)(C)c1cc(NC(=O)c2cnc(C(=O)[O-])cn2)c(C#N)s1 ZINC000833450318 605627992 /nfs/dbraw/zinc/62/79/92/605627992.db2.gz OHLSJAJZCVHZEW-UHFFFAOYSA-N -1 0 330.369 2.658 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)OCC ZINC000833367785 605638711 /nfs/dbraw/zinc/63/87/11/605638711.db2.gz VBTAWHZQSFMYCW-OAHLLOKOSA-N -1 0 332.400 2.645 20 30 EFEDRM C#CCOCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833364307 605711806 /nfs/dbraw/zinc/71/18/06/605711806.db2.gz OAEXJJMOQSIRCG-ZDUSSCGKSA-N -1 0 331.151 2.702 20 30 EFEDRM C[C@H](Sc1ccccn1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833544773 605717510 /nfs/dbraw/zinc/71/75/10/605717510.db2.gz IWFAEUVUMICOJE-NHYWBVRUSA-N -1 0 342.376 2.803 20 30 EFEDRM Cc1ncc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC000823962936 608053658 /nfs/dbraw/zinc/05/36/58/608053658.db2.gz STQFAZFZQIFAOK-UHFFFAOYSA-N -1 0 346.420 2.753 20 30 EFEDRM CC[C@@H]1C[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184826 609516854 /nfs/dbraw/zinc/51/68/54/609516854.db2.gz ZWQBCDAISYZVFT-GHMZBOCLSA-N -1 0 347.423 2.755 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000850732723 1250584433 /nfs/dbraw/zinc/58/44/33/1250584433.db2.gz DDUMWRUMABFWIZ-HUUCEWRRSA-N -1 0 332.425 2.580 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)s1 ZINC000850737027 1250586420 /nfs/dbraw/zinc/58/64/20/1250586420.db2.gz NDJOGJSZECCLAH-UHFFFAOYSA-N -1 0 326.443 2.726 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1C(F)(F)F ZINC000850752479 1250594244 /nfs/dbraw/zinc/59/42/44/1250594244.db2.gz OPYUGCVSJWRKKS-LLVKDONJSA-N -1 0 340.301 2.659 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCOC3)c1 ZINC000850977463 1250723415 /nfs/dbraw/zinc/72/34/15/1250723415.db2.gz VQWLZYSFWGTPMN-LJQANCHMSA-N -1 0 348.402 2.707 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCC)c1ccc(Cl)cc1 ZINC000851000690 1250734225 /nfs/dbraw/zinc/73/42/25/1250734225.db2.gz YGMRMXSBDASOCR-CQSZACIVSA-N -1 0 327.833 2.693 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(Cl)cc1 ZINC000851016524 1250747572 /nfs/dbraw/zinc/74/75/72/1250747572.db2.gz WMXJECPYFFMPHQ-ZDUSSCGKSA-N -1 0 328.821 2.583 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)C ZINC000851192939 1250852546 /nfs/dbraw/zinc/85/25/46/1250852546.db2.gz XKJZHSUHMZPPQO-CYBMUJFWSA-N -1 0 340.420 2.716 20 30 EFEDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192090 1250858439 /nfs/dbraw/zinc/85/84/39/1250858439.db2.gz YBMXBYSMAKFIBI-INIZCTEOSA-N -1 0 340.420 2.860 20 30 EFEDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191276 1250858573 /nfs/dbraw/zinc/85/85/73/1250858573.db2.gz VXYLLAULXXANEV-ZDUSSCGKSA-N -1 0 340.420 2.716 20 30 EFEDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191267 1250858750 /nfs/dbraw/zinc/85/87/50/1250858750.db2.gz VVNOBLZOFKXLRK-HNNXBMFYSA-N -1 0 344.383 2.562 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CCc2ccccc2F)CCCC1 ZINC000851326775 1250933772 /nfs/dbraw/zinc/93/37/72/1250933772.db2.gz VTSNIRPKFMRJJH-UHFFFAOYSA-N -1 0 339.432 2.951 20 30 EFEDRM C=CCOCC(=O)[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000851468912 1251018267 /nfs/dbraw/zinc/01/82/67/1251018267.db2.gz JWTUMIORZUNBAQ-UHFFFAOYSA-N -1 0 339.457 2.608 20 30 EFEDRM CCN(Cc1ccccc1)c1ccc(C([O-])=C(C#N)C(=O)NC)cc1 ZINC000179983534 1252270589 /nfs/dbraw/zinc/27/05/89/1252270589.db2.gz BEWNENBZAIYXJV-SFHVURJKSA-N -1 0 335.407 2.782 20 30 EFEDRM C[C@]1(CNc2ccc(C#N)nc2)CCN(C(=O)c2ccccc2O)C1 ZINC001065389591 1265655245 /nfs/dbraw/zinc/65/52/45/1265655245.db2.gz HFNSJYCTKDDIMV-LJQANCHMSA-N -1 0 336.395 2.623 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000181261082 1252761782 /nfs/dbraw/zinc/76/17/82/1252761782.db2.gz IIFIFYRDDNLCFE-UHFFFAOYSA-N -1 0 334.422 2.778 20 30 EFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000073263848 1253700965 /nfs/dbraw/zinc/70/09/65/1253700965.db2.gz AXUWUZKYKVDJBO-UHFFFAOYSA-N -1 0 336.394 2.630 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCC1 ZINC000921542832 1257087581 /nfs/dbraw/zinc/08/75/81/1257087581.db2.gz ISFQPRCRMAQILW-CYBMUJFWSA-N -1 0 328.347 2.529 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCC1 ZINC000921551400 1257250192 /nfs/dbraw/zinc/25/01/92/1257250192.db2.gz RGPOOQKGFUEHEG-ZDUSSCGKSA-N -1 0 346.337 2.668 20 30 EFEDRM C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272781992 1258015781 /nfs/dbraw/zinc/01/57/81/1258015781.db2.gz JIMAEWKVYDEWSM-UHFFFAOYSA-N -1 0 348.393 2.508 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007056883 1262896661 /nfs/dbraw/zinc/89/66/61/1262896661.db2.gz FBLSOFZHWLYIFL-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccccc2-n2cncn2)cs1 ZINC000730150847 1264216593 /nfs/dbraw/zinc/21/65/93/1264216593.db2.gz XZKFVXKQPYIDOB-AATRIKPKSA-N -1 0 325.349 2.923 20 30 EFEDRM CCn1cc(C(=O)/C=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)cn1 ZINC000730729862 1264428235 /nfs/dbraw/zinc/42/82/35/1264428235.db2.gz PCDFUEKNJPBIQU-VMPITWQZSA-N -1 0 336.294 2.855 20 30 EFEDRM O=C([O-])COc1cccc(CN=Nc2ncnc3sccc32)c1 ZINC000733201560 1265109647 /nfs/dbraw/zinc/10/96/47/1265109647.db2.gz MMZYYONAGMGMBM-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(OCC(=O)[O-])c1)CO2 ZINC000733206969 1265125375 /nfs/dbraw/zinc/12/53/75/1265125375.db2.gz ULHCONKBCWFPJK-QPEQYQDCSA-N -1 0 340.331 2.817 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000733702945 1265367079 /nfs/dbraw/zinc/36/70/79/1265367079.db2.gz DIOAYWRIGNNZSN-UHFFFAOYSA-N -1 0 340.404 2.695 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1sc(C)cc1C#N)C1CCCC1 ZINC000824243295 1266854884 /nfs/dbraw/zinc/85/48/84/1266854884.db2.gz OIWJHPJYUMTHRP-ZDUSSCGKSA-N -1 0 328.459 2.875 20 30 EFEDRM CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000734745866 1267085709 /nfs/dbraw/zinc/08/57/09/1267085709.db2.gz BLDIREZOCLACRC-LLVKDONJSA-N -1 0 346.410 2.953 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@H]3Cc4ccccc4C(=O)O3)nc21 ZINC000735790398 1267424904 /nfs/dbraw/zinc/42/49/04/1267424904.db2.gz XGBPIYSZEFDGMU-GDBMZVCRSA-N -1 0 345.358 2.829 20 30 EFEDRM COc1cc(/C=C\C(=O)c2nccn2C)cc(Br)c1O ZINC000735792908 1267425712 /nfs/dbraw/zinc/42/57/12/1267425712.db2.gz NYJHMIHMAXGZAQ-ARJAWSKDSA-N -1 0 337.173 2.793 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCCNC(=O)c1ccsc1 ZINC000073837496 1267487894 /nfs/dbraw/zinc/48/78/94/1267487894.db2.gz IPVVKTSVDCMBRM-UHFFFAOYSA-N -1 0 346.474 2.733 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cncc(Br)c1 ZINC000073838063 1267534273 /nfs/dbraw/zinc/53/42/73/1267534273.db2.gz XRIOLXAVQWXVTH-UHFFFAOYSA-N -1 0 335.223 2.667 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000073838586 1267535458 /nfs/dbraw/zinc/53/54/58/1267535458.db2.gz LIAZTGPOGUZBPT-NSHDSACASA-N -1 0 325.386 2.605 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCC1 ZINC000073839067 1267536815 /nfs/dbraw/zinc/53/68/15/1267536815.db2.gz GJLBDHYQQGFCJO-LLVKDONJSA-N -1 0 329.393 2.569 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000073837643 1267553647 /nfs/dbraw/zinc/55/36/47/1267553647.db2.gz KQIMKASZXDAJRH-LLVKDONJSA-N -1 0 332.466 2.546 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCC)cc1OC(C)C ZINC000791853501 1278377835 /nfs/dbraw/zinc/37/78/35/1278377835.db2.gz RSJAEVCRTVMWQI-UHFFFAOYSA-N -1 0 341.429 2.508 20 30 EFEDRM Cc1csc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1Cl ZINC000791869493 1278425137 /nfs/dbraw/zinc/42/51/37/1278425137.db2.gz CIRBHSFNBANTBS-UHFFFAOYSA-N -1 0 346.861 2.854 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(F)c1 ZINC000739666777 1268727896 /nfs/dbraw/zinc/72/78/96/1268727896.db2.gz DRNDKQGEHBQUQC-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1CC(=O)[O-] ZINC000740668797 1269015125 /nfs/dbraw/zinc/01/51/25/1269015125.db2.gz NBOHXYONQFSUGM-SREVYHEPSA-N -1 0 336.347 2.866 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H]3C)cc2[n-]c1=S ZINC000740928923 1269171594 /nfs/dbraw/zinc/17/15/94/1269171594.db2.gz UNHMODFJJPCIJU-VXGBXAGGSA-N -1 0 343.452 2.742 20 30 EFEDRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1)C1CC1 ZINC000741163470 1269362471 /nfs/dbraw/zinc/36/24/71/1269362471.db2.gz SXPJICLEIQXHQZ-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM Cc1ccc(N2CC[C@@H](/N=C\c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000741465279 1269540408 /nfs/dbraw/zinc/54/04/08/1269540408.db2.gz TYPGXJBXSBEFSR-VXIUPONVSA-N -1 0 339.351 2.833 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000741658385 1269637290 /nfs/dbraw/zinc/63/72/90/1269637290.db2.gz WQMBFAXAHXCVLK-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000741658437 1269637315 /nfs/dbraw/zinc/63/73/15/1269637315.db2.gz XVJAELNXBNYHTL-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1cnc2ccccc2n1 ZINC000792109135 1278549151 /nfs/dbraw/zinc/54/91/51/1278549151.db2.gz SPDRRFJZFCJQRK-CQSZACIVSA-N -1 0 343.346 2.958 20 30 EFEDRM C#CCSCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000743485605 1270606030 /nfs/dbraw/zinc/60/60/30/1270606030.db2.gz MHENFVFNXNSNSD-UHFFFAOYSA-N -1 0 343.452 2.798 20 30 EFEDRM O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000743537967 1270638202 /nfs/dbraw/zinc/63/82/02/1270638202.db2.gz FNNSEYZHIPFCRY-YLRSXTQRSA-N -1 0 339.351 2.520 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000744030570 1270836968 /nfs/dbraw/zinc/83/69/68/1270836968.db2.gz HWKRROJLZCOPLF-LBPRGKRZSA-N -1 0 349.312 2.822 20 30 EFEDRM CC(=O)c1ccc(O)c(CCOC(=O)CNc2ccc(C#N)cc2)c1 ZINC000744840667 1271195529 /nfs/dbraw/zinc/19/55/29/1271195529.db2.gz NKEGVUREDMFXJR-UHFFFAOYSA-N -1 0 338.363 2.664 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2ccccc2OCC(=O)[O-])o1 ZINC000745611770 1271540483 /nfs/dbraw/zinc/54/04/83/1271540483.db2.gz IBCRDFKWBPUJPS-UHFFFAOYSA-N -1 0 328.328 2.579 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1 ZINC000746450046 1272283341 /nfs/dbraw/zinc/28/33/41/1272283341.db2.gz HXPBISRRZLVBGF-UHFFFAOYSA-N -1 0 337.441 2.891 20 30 EFEDRM COc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)cc([N+](=O)[O-])c1[O-] ZINC000747062471 1278708706 /nfs/dbraw/zinc/70/87/06/1278708706.db2.gz XUMJVGJBJYSVOQ-UHFFFAOYSA-N -1 0 346.299 2.972 20 30 EFEDRM COC(=O)c1n[nH]cc1Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001169575373 1273017817 /nfs/dbraw/zinc/01/78/17/1273017817.db2.gz LVGQMIDNGGXJAI-BLLMUTORSA-N -1 0 328.250 2.767 20 30 EFEDRM C=CC[C@@H](Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)C(=O)OC ZINC001169844903 1273192556 /nfs/dbraw/zinc/19/25/56/1273192556.db2.gz PFKLTIWSAPTLMA-GFCCVEGCSA-N -1 0 336.775 2.978 20 30 EFEDRM CC1(C)CC(=O)C=C(Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)C1 ZINC001169951660 1273276035 /nfs/dbraw/zinc/27/60/35/1273276035.db2.gz OVGYMGUJCMVAIM-UHFFFAOYSA-N -1 0 329.278 2.879 20 30 EFEDRM N#Cc1nc(NC(=O)CCOc2ccc3ccccc3c2)[n-]c1C#N ZINC001143814538 1278791744 /nfs/dbraw/zinc/79/17/44/1278791744.db2.gz GCEJYKFAJBUUOA-UHFFFAOYSA-N -1 0 331.335 2.714 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)c2cccnc2)n1 ZINC000781258920 1274560391 /nfs/dbraw/zinc/56/03/91/1274560391.db2.gz ZUFBKLVRSZOAIL-ZDUSSCGKSA-N -1 0 343.408 2.544 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@@H]1C ZINC000792562287 1278900661 /nfs/dbraw/zinc/90/06/61/1278900661.db2.gz KCPCIKLVBIOVNI-GJZGRUSLSA-N -1 0 348.509 2.899 20 30 EFEDRM CCOC(=O)c1nc2ccsc2c(NCc2ccc(C#N)s2)n1 ZINC001170200468 1278906611 /nfs/dbraw/zinc/90/66/11/1278906611.db2.gz PZKLJWWMCYTIJT-UHFFFAOYSA-N -1 0 344.421 2.835 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H]1C ZINC000792564478 1278908581 /nfs/dbraw/zinc/90/85/81/1278908581.db2.gz WOZQCAXNDBOCJJ-UONOGXRCSA-N -1 0 334.482 2.509 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3occc3[nH]2)n1 ZINC000786029041 1275277724 /nfs/dbraw/zinc/27/77/24/1275277724.db2.gz CPPZBZNVJWENFI-SECBINFHSA-N -1 0 329.337 2.559 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)C#N ZINC000786324718 1275370791 /nfs/dbraw/zinc/37/07/91/1275370791.db2.gz GCBZQTFLBSMRLG-LBPRGKRZSA-N -1 0 343.383 2.640 20 30 EFEDRM C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)c1c[nH]c2ccccc21 ZINC000786472548 1275403773 /nfs/dbraw/zinc/40/37/73/1275403773.db2.gz UICCIJLHLFODFI-OCCSQVGLSA-N -1 0 334.379 2.987 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000786535553 1275422526 /nfs/dbraw/zinc/42/25/26/1275422526.db2.gz SJWMVHZXPZFXPV-AWEZNQCLSA-N -1 0 331.734 2.513 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000786535554 1275423104 /nfs/dbraw/zinc/42/31/04/1275423104.db2.gz SJWMVHZXPZFXPV-CQSZACIVSA-N -1 0 331.734 2.513 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(C#N)cs1 ZINC000786537398 1275423434 /nfs/dbraw/zinc/42/34/34/1275423434.db2.gz IRWWTNNOLHLYIA-CYBMUJFWSA-N -1 0 343.795 2.912 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)c1 ZINC000786539216 1275424485 /nfs/dbraw/zinc/42/44/85/1275424485.db2.gz DMICAPDPPIQHQD-HNNXBMFYSA-N -1 0 341.798 2.991 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n1C ZINC000786539488 1275424489 /nfs/dbraw/zinc/42/44/89/1275424489.db2.gz QZFPQPNOVLJEKH-AWEZNQCLSA-N -1 0 329.787 2.626 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccnc(C3CC3)c2)c1 ZINC000786546981 1275437927 /nfs/dbraw/zinc/43/79/27/1275437927.db2.gz NBPNQHJMXBKTBX-QGZVFWFLSA-N -1 0 333.391 2.906 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccnc(C3CC3)c2)c1 ZINC000786546980 1275438142 /nfs/dbraw/zinc/43/81/42/1275438142.db2.gz NBPNQHJMXBKTBX-KRWDZBQOSA-N -1 0 333.391 2.906 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)c1 ZINC000786548194 1275439324 /nfs/dbraw/zinc/43/93/24/1275439324.db2.gz IYZWGXNWXAORSS-HNNXBMFYSA-N -1 0 337.379 2.501 20 30 EFEDRM COCc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786553073 1275440053 /nfs/dbraw/zinc/44/00/53/1275440053.db2.gz RTOBWNUNTWMRMR-SFHVURJKSA-N -1 0 336.391 2.780 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)o1 ZINC000786564421 1275445051 /nfs/dbraw/zinc/44/50/51/1275445051.db2.gz ZXQVLVHIKCVOIQ-CQSZACIVSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569242 1275445576 /nfs/dbraw/zinc/44/55/76/1275445576.db2.gz KCDLUMPGRKAQAX-AWEZNQCLSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786567498 1275446213 /nfs/dbraw/zinc/44/62/13/1275446213.db2.gz CAWDEEAOPSPUNS-NSHDSACASA-N -1 0 349.362 2.677 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571298 1275447811 /nfs/dbraw/zinc/44/78/11/1275447811.db2.gz WEVCSHDOZIQKKS-SNVBAGLBSA-N -1 0 349.362 2.623 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(OC)n1)c1ccccc1 ZINC000787034019 1275620995 /nfs/dbraw/zinc/62/09/95/1275620995.db2.gz YVYDLXDIZAIQAO-LSDHHAIUSA-N -1 0 337.379 2.680 20 30 EFEDRM C[C@@H]1[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787155312 1275689660 /nfs/dbraw/zinc/68/96/60/1275689660.db2.gz PWUCVNWWDFPARH-DGCLKSJQSA-N -1 0 345.399 2.848 20 30 EFEDRM COc1ccc(CNN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000746679245 1275766035 /nfs/dbraw/zinc/76/60/35/1275766035.db2.gz BBQXDNXTCVREJU-CYBMUJFWSA-N -1 0 328.368 2.671 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1)C(=O)[O-] ZINC000746684383 1275783298 /nfs/dbraw/zinc/78/32/98/1275783298.db2.gz ONRDNQQYYRSRIK-LYQMGENXSA-N -1 0 326.304 2.860 20 30 EFEDRM CCc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(O)c1 ZINC000787868061 1275968575 /nfs/dbraw/zinc/96/85/75/1275968575.db2.gz WYPKJJDRPNDZNY-ZDUSSCGKSA-N -1 0 344.392 2.753 20 30 EFEDRM O=C1Nc2ccc(F)cc2C1=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788028295 1276009336 /nfs/dbraw/zinc/00/93/36/1276009336.db2.gz LFGWRVAGGPSPBM-UHFFFAOYSA-N -1 0 340.343 2.508 20 30 EFEDRM O=C([O-])c1csc(CN=Nc2nnc(-c3ccccn3)s2)c1 ZINC000788031020 1276011252 /nfs/dbraw/zinc/01/12/52/1276011252.db2.gz UJZFJUGIZZMSCR-UHFFFAOYSA-N -1 0 331.382 2.806 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(C=NOC[C@H]2CCOC2)cc1 ZINC000788030159 1276011787 /nfs/dbraw/zinc/01/17/87/1276011787.db2.gz KMCDEJSSKGRTBU-AWEZNQCLSA-N -1 0 345.351 2.944 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NN[C@@H](CO)c2ccccc2)c1[O-] ZINC000788456702 1276180156 /nfs/dbraw/zinc/18/01/56/1276180156.db2.gz VYOZDUPIFWDSKQ-ZDUSSCGKSA-N -1 0 335.747 2.611 20 30 EFEDRM CCCN1C[C@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000817708121 1276269414 /nfs/dbraw/zinc/26/94/14/1276269414.db2.gz UCTWNQHRMNMUOD-QBHXNYKNSA-N -1 0 339.779 2.631 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCc2ccncc2)cc1 ZINC000817711765 1276289289 /nfs/dbraw/zinc/28/92/89/1276289289.db2.gz FBGSADQBOXVCNF-KRWDZBQOSA-N -1 0 337.379 2.508 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2ccncc2)cc1 ZINC000817713753 1276289559 /nfs/dbraw/zinc/28/95/59/1276289559.db2.gz HCVPWQAEDXBKIR-GOSISDBHSA-N -1 0 349.390 2.605 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)c(C)c1 ZINC000817714849 1276289767 /nfs/dbraw/zinc/28/97/67/1276289767.db2.gz XRUPJCVOTQVENB-INIZCTEOSA-N -1 0 338.411 2.810 20 30 EFEDRM C=CCCCCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000817881574 1276359497 /nfs/dbraw/zinc/35/94/97/1276359497.db2.gz PWGNHGLKVZSQBW-UHFFFAOYSA-N -1 0 336.363 2.715 20 30 EFEDRM CCC(C#N)(CC)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000923064800 1276714057 /nfs/dbraw/zinc/71/40/57/1276714057.db2.gz JQXOGUOMRHEJEQ-UHFFFAOYSA-N -1 0 332.400 2.876 20 30 EFEDRM CCSCc1ccccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000789470270 1276745144 /nfs/dbraw/zinc/74/51/44/1276745144.db2.gz VLKAOIFNUQHDRI-UHFFFAOYSA-N -1 0 340.470 2.549 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC12CCCC2 ZINC000923078506 1276760767 /nfs/dbraw/zinc/76/07/67/1276760767.db2.gz DKZUMILWOZWIPW-KBXCAEBGSA-N -1 0 330.359 2.584 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)C1(C#N)CCCCC1 ZINC000923078731 1276761506 /nfs/dbraw/zinc/76/15/06/1276761506.db2.gz IMOPFMKQYOGMRP-UHFFFAOYSA-N -1 0 330.384 2.526 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000187084783 1276817546 /nfs/dbraw/zinc/81/75/46/1276817546.db2.gz RHXNRCSUHXOOIR-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM Cc1sc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC000819944026 1276963235 /nfs/dbraw/zinc/96/32/35/1276963235.db2.gz OENXSPMSLZPRNM-VIFPVBQESA-N -1 0 341.230 2.764 20 30 EFEDRM CC[C@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000820652323 1277281118 /nfs/dbraw/zinc/28/11/18/1277281118.db2.gz MYRMDNJIABNCJU-OAHLLOKOSA-N -1 0 348.468 2.704 20 30 EFEDRM CC[C@@H](C)NN=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000790189906 1277337899 /nfs/dbraw/zinc/33/78/99/1277337899.db2.gz SDNRWYYMTUCDAR-SECBINFHSA-N -1 0 329.194 2.635 20 30 EFEDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000820800742 1277331557 /nfs/dbraw/zinc/33/15/57/1277331557.db2.gz DVMGKWZCNWAEQF-UHFFFAOYSA-N -1 0 338.458 2.760 20 30 EFEDRM CC[C@H](C)NN=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000790189428 1277338689 /nfs/dbraw/zinc/33/86/89/1277338689.db2.gz NSQHAIMLSLCKIE-VIFPVBQESA-N -1 0 329.194 2.635 20 30 EFEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790868149 1277813837 /nfs/dbraw/zinc/81/38/37/1277813837.db2.gz IQXCGOPZZDRAMF-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])n1ccc2ccccc2c1=O ZINC000791221877 1277989604 /nfs/dbraw/zinc/98/96/04/1277989604.db2.gz CTDRPTREYCHQQZ-LBPRGKRZSA-N -1 0 333.347 2.778 20 30 EFEDRM C=CCSCCNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000871842133 1287317351 /nfs/dbraw/zinc/31/73/51/1287317351.db2.gz XFNAWBOYSOILOD-UHFFFAOYSA-N -1 0 349.861 2.544 20 30 EFEDRM COCCN(C)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2C)cn1 ZINC000844622259 1279129069 /nfs/dbraw/zinc/12/90/69/1279129069.db2.gz BINKVHGAVJLDPB-UHFFFAOYSA-N -1 0 342.399 2.617 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161777 1287330259 /nfs/dbraw/zinc/33/02/59/1287330259.db2.gz UHOKRZQJYMXSBC-UHFFFAOYSA-N -1 0 330.319 2.687 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000871864414 1287328330 /nfs/dbraw/zinc/32/83/30/1287328330.db2.gz DRMMYQYSIDLJIU-UHFFFAOYSA-N -1 0 344.458 2.705 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000844796462 1279257295 /nfs/dbraw/zinc/25/72/95/1279257295.db2.gz UGYNVHZPFPLPHK-RRFJBIMHSA-N -1 0 349.493 2.677 20 30 EFEDRM Fc1ccc(C(C[C@H]2CCOC2)=NNc2[n-]cnc3ncnc2-3)cc1 ZINC000792988515 1279317952 /nfs/dbraw/zinc/31/79/52/1279317952.db2.gz XBXFHHMCMHRPJU-LLVKDONJSA-N -1 0 340.362 2.735 20 30 EFEDRM CC[C@H](NN=Cc1c(-c2ccccc2)nc2sccn12)C(=O)[O-] ZINC000793056838 1279345318 /nfs/dbraw/zinc/34/53/18/1279345318.db2.gz XWGGMHCOQSBLKW-LBPRGKRZSA-N -1 0 328.397 2.850 20 30 EFEDRM CC[C@H](NN=C1CCOc2c(F)cc(Br)cc21)C(=O)[O-] ZINC000793055569 1279345566 /nfs/dbraw/zinc/34/55/66/1279345566.db2.gz MSDLAAJBDWRXSQ-JTQLQIEISA-N -1 0 345.168 2.528 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000793070540 1279354688 /nfs/dbraw/zinc/35/46/88/1279354688.db2.gz CGTGMKAUIAEFOW-AWEZNQCLSA-N -1 0 334.807 2.680 20 30 EFEDRM CC[C@H](NN=C(C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000793072608 1279357323 /nfs/dbraw/zinc/35/73/23/1279357323.db2.gz UANKVBHCFHDHGJ-STQMWFEESA-N -1 0 327.425 2.605 20 30 EFEDRM CC[C@H](NN=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000793077316 1279358366 /nfs/dbraw/zinc/35/83/66/1279358366.db2.gz DCPWZQDHUQRJJG-KBPBESRZSA-N -1 0 340.807 2.685 20 30 EFEDRM CC[C@H](NN=C(C)c1cnc2sc(C(=O)OC)c(C)c2c1)C(=O)[O-] ZINC000793077925 1279359562 /nfs/dbraw/zinc/35/95/62/1279359562.db2.gz JWDVXTIIFJYLHZ-LBPRGKRZSA-N -1 0 349.412 2.568 20 30 EFEDRM CC[C@H](NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000793080842 1279359981 /nfs/dbraw/zinc/35/99/81/1279359981.db2.gz CWSWDXZRAGZIRM-LBPRGKRZSA-N -1 0 334.357 2.505 20 30 EFEDRM CCOC(=O)c1ccc(-c2ccc(C=NN[C@H](CC)C(=O)[O-])o2)cc1 ZINC000793080660 1279360689 /nfs/dbraw/zinc/36/06/89/1279360689.db2.gz CEALHALJARZJFR-OAHLLOKOSA-N -1 0 344.367 2.910 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000793124319 1279371403 /nfs/dbraw/zinc/37/14/03/1279371403.db2.gz KWNLKWPEJYVSFW-GFCCVEGCSA-N -1 0 329.381 2.559 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793124064 1279372248 /nfs/dbraw/zinc/37/22/48/1279372248.db2.gz OVFZRBRFHABHQY-SFHVURJKSA-N -1 0 340.423 2.900 20 30 EFEDRM COC(=O)c1cc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)ccc1C ZINC000793097733 1279375686 /nfs/dbraw/zinc/37/56/86/1279375686.db2.gz NIQQXFNQEPTCCO-UHFFFAOYSA-N -1 0 329.312 2.841 20 30 EFEDRM COC(=O)c1cc(NN=Cc2ccccc2OCC(=O)[O-])ccc1C ZINC000793097654 1279376162 /nfs/dbraw/zinc/37/61/62/1279376162.db2.gz MESCDYVRXZIEEU-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194370 1279437742 /nfs/dbraw/zinc/43/77/42/1279437742.db2.gz IYIZWUMQIVBGKH-KBPBESRZSA-N -1 0 346.452 2.726 20 30 EFEDRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000793276496 1279491320 /nfs/dbraw/zinc/49/13/20/1279491320.db2.gz NEIXPSJCJCJMGZ-UHFFFAOYSA-N -1 0 336.344 2.532 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc2c1OCCCO2 ZINC000845440737 1279632506 /nfs/dbraw/zinc/63/25/06/1279632506.db2.gz LQEPMIKXPNFPMW-OAHLLOKOSA-N -1 0 342.395 2.619 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845443389 1279632703 /nfs/dbraw/zinc/63/27/03/1279632703.db2.gz BRMRZZSZWVDXIV-OAHLLOKOSA-N -1 0 336.395 2.772 20 30 EFEDRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793431419 1279642945 /nfs/dbraw/zinc/64/29/45/1279642945.db2.gz YWFVAUYQYJBRNL-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COCc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc(C(=O)OC)c1 ZINC000793669398 1279797188 /nfs/dbraw/zinc/79/71/88/1279797188.db2.gz QQFZAFOMSSHEIW-UHFFFAOYSA-N -1 0 344.323 2.984 20 30 EFEDRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000793735465 1279850338 /nfs/dbraw/zinc/85/03/38/1279850338.db2.gz NMOPDRYZUJCYFI-CQSZACIVSA-N -1 0 345.399 2.848 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)C1 ZINC000871982159 1287384909 /nfs/dbraw/zinc/38/49/09/1287384909.db2.gz CVTZFXUCGOIXNR-NSHDSACASA-N -1 0 329.443 2.732 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000846149390 1280037598 /nfs/dbraw/zinc/03/75/98/1280037598.db2.gz MSLJVCQGWXKWHM-UHFFFAOYSA-N -1 0 333.413 2.982 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000846149279 1280038319 /nfs/dbraw/zinc/03/83/19/1280038319.db2.gz JQOQLJUSRLQVKN-UHFFFAOYSA-N -1 0 332.375 2.608 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000846151546 1280038475 /nfs/dbraw/zinc/03/84/75/1280038475.db2.gz AMKJBPOJMZIGSK-LLVKDONJSA-N -1 0 340.807 2.936 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000846152279 1280038816 /nfs/dbraw/zinc/03/88/16/1280038816.db2.gz ACFQVHIHNAUEOZ-GJZGRUSLSA-N -1 0 345.443 2.935 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000846151683 1280038829 /nfs/dbraw/zinc/03/88/29/1280038829.db2.gz DNPASCCGTJWBBT-SNVBAGLBSA-N -1 0 338.454 2.726 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000846151986 1280038845 /nfs/dbraw/zinc/03/88/45/1280038845.db2.gz KYPWFHIKKZETRY-SNVBAGLBSA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000846152280 1280038934 /nfs/dbraw/zinc/03/89/34/1280038934.db2.gz ACFQVHIHNAUEOZ-HUUCEWRRSA-N -1 0 345.443 2.935 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000846154644 1280039189 /nfs/dbraw/zinc/03/91/89/1280039189.db2.gz ORURPLMBRJQLJS-VIFPVBQESA-N -1 0 341.205 2.572 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000846156063 1280039252 /nfs/dbraw/zinc/03/92/52/1280039252.db2.gz KCRNWRQYTULIEZ-MRVPVSSYSA-N -1 0 335.385 2.581 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(Br)cc1CC ZINC000846154642 1280039345 /nfs/dbraw/zinc/03/93/45/1280039345.db2.gz ORURPLMBRJQLJS-SECBINFHSA-N -1 0 341.205 2.572 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000846154707 1280039389 /nfs/dbraw/zinc/03/93/89/1280039389.db2.gz REFHPYLPIPUIRR-JTQLQIEISA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000846153477 1280039590 /nfs/dbraw/zinc/03/95/90/1280039590.db2.gz IKBBZTUNNPLKJS-SNVBAGLBSA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000846154216 1280040030 /nfs/dbraw/zinc/04/00/30/1280040030.db2.gz LQNKKNOUKDWLRQ-CYBMUJFWSA-N -1 0 329.400 2.858 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000846156045 1280040364 /nfs/dbraw/zinc/04/03/64/1280040364.db2.gz JXNUAQHDDNLRAN-VHSXEESVSA-N -1 0 346.305 2.577 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000846155793 1280040749 /nfs/dbraw/zinc/04/07/49/1280040749.db2.gz YOCNLNIUYIILBW-GFCCVEGCSA-N -1 0 348.399 2.511 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000846155787 1280041214 /nfs/dbraw/zinc/04/12/14/1280041214.db2.gz WSTLOEOSBSIVIT-LBPRGKRZSA-N -1 0 334.416 2.871 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000846157462 1280041956 /nfs/dbraw/zinc/04/19/56/1280041956.db2.gz UWWODQXXFFSMFA-OAHLLOKOSA-N -1 0 345.443 2.936 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1COC(C)(C)CC ZINC000846145390 1280052528 /nfs/dbraw/zinc/05/25/28/1280052528.db2.gz APOFYKKNZFYARF-UHFFFAOYSA-N -1 0 334.416 2.954 20 30 EFEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234300 1280112230 /nfs/dbraw/zinc/11/22/30/1280112230.db2.gz ZVVUWEAMVXAEKY-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846547377 1280240263 /nfs/dbraw/zinc/24/02/63/1280240263.db2.gz KZEDMUXPDWHYLQ-HOCLYGCPSA-N -1 0 334.416 2.950 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000846547406 1280240482 /nfs/dbraw/zinc/24/04/82/1280240482.db2.gz AABHIQKISXIVAY-JKIFEVAISA-N -1 0 330.428 2.608 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000846548693 1280243146 /nfs/dbraw/zinc/24/31/46/1280243146.db2.gz GLFUTOXDTPVEPH-XJKSGUPXSA-N -1 0 346.427 2.971 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846549657 1280245937 /nfs/dbraw/zinc/24/59/37/1280245937.db2.gz JNOPSPLZRIZMPT-KOLCDFICSA-N -1 0 343.210 2.969 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846536364 1280250770 /nfs/dbraw/zinc/25/07/70/1280250770.db2.gz IIQMKXAOMMPJOB-ZDUSSCGKSA-N -1 0 332.429 2.592 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000846538033 1280251317 /nfs/dbraw/zinc/25/13/17/1280251317.db2.gz MRDUDCITXQTCTF-SECBINFHSA-N -1 0 331.199 2.736 20 30 EFEDRM COc1cc(C#N)ccc1OCCOC(=O)c1cc(F)c([O-])c(F)c1 ZINC000805483489 1280583653 /nfs/dbraw/zinc/58/36/53/1280583653.db2.gz SBAORAYGMXVLCK-UHFFFAOYSA-N -1 0 349.289 2.786 20 30 EFEDRM N#CCSCCCOC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000805554812 1280620001 /nfs/dbraw/zinc/62/00/01/1280620001.db2.gz LJIGXDCMBVGNSU-UHFFFAOYSA-N -1 0 335.360 2.521 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12 ZINC000805854153 1280814709 /nfs/dbraw/zinc/81/47/09/1280814709.db2.gz RDVATKSXOJZZST-CQSZACIVSA-N -1 0 328.368 2.641 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000805870238 1280833149 /nfs/dbraw/zinc/83/31/49/1280833149.db2.gz LQRWSKGZEKWHAF-UHFFFAOYSA-N -1 0 349.387 2.653 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1cccnc1 ZINC000805845390 1280848750 /nfs/dbraw/zinc/84/87/50/1280848750.db2.gz UJOYRHAUDCPNPH-MRXNPFEDSA-N -1 0 347.374 2.980 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1cccc(C(=O)[O-])c1 ZINC000806559092 1281096156 /nfs/dbraw/zinc/09/61/56/1281096156.db2.gz UQKFRHPWKDYMHV-SREVYHEPSA-N -1 0 331.349 2.914 20 30 EFEDRM COC(=O)c1coc(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806563247 1281096291 /nfs/dbraw/zinc/09/62/91/1281096291.db2.gz UELRSYITXDLKHO-WCLQSUPFSA-N -1 0 326.304 2.904 20 30 EFEDRM COC(=O)c1occc1/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806561785 1281096300 /nfs/dbraw/zinc/09/63/00/1281096300.db2.gz ZVXDUSVMUXAFTM-ZHZWZMEUSA-N -1 0 326.304 2.904 20 30 EFEDRM CC(C)n1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)nn1 ZINC000806570427 1281098361 /nfs/dbraw/zinc/09/83/61/1281098361.db2.gz ZLDLZMKGFTXAFR-ZROIWOOFSA-N -1 0 336.351 2.602 20 30 EFEDRM CC(C)n1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)nn1 ZINC000806570956 1281099034 /nfs/dbraw/zinc/09/90/34/1281099034.db2.gz BBMXYARPFZJFSP-GUOLPTJISA-N -1 0 329.356 2.607 20 30 EFEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000806575905 1281101312 /nfs/dbraw/zinc/10/13/12/1281101312.db2.gz PIWNICYXGAXUOD-DAXSKMNVSA-N -1 0 336.307 2.777 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1 ZINC000806576169 1281101449 /nfs/dbraw/zinc/10/14/49/1281101449.db2.gz WJGFJGBDHZBXEJ-GQCTYLIASA-N -1 0 336.307 2.777 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000123990293 1287471971 /nfs/dbraw/zinc/47/19/71/1287471971.db2.gz RUQMHRBHVPNMBO-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000123993670 1287473408 /nfs/dbraw/zinc/47/34/08/1287473408.db2.gz DCHINWHVXQZFDX-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nc2ccc(C)cc2s1 ZINC001147562320 1281198616 /nfs/dbraw/zinc/19/86/16/1281198616.db2.gz DFESFXZROXYXMD-UHFFFAOYSA-N -1 0 341.352 2.540 20 30 EFEDRM N[C@](C(=O)[N-]OCCC(F)(F)F)(c1cccc(F)c1)C(F)(F)F ZINC000807288954 1281272288 /nfs/dbraw/zinc/27/22/88/1281272288.db2.gz DXWNZNUROHEWPJ-NSHDSACASA-N -1 0 348.218 2.542 20 30 EFEDRM Cc1ncc(CO)c(C(=O)Nc2sc3ccccc3c2C#N)c1[O-] ZINC001147834056 1281308511 /nfs/dbraw/zinc/30/85/11/1281308511.db2.gz LSMSEDQXRVATBS-UHFFFAOYSA-N -1 0 339.376 2.927 20 30 EFEDRM CC(=NNc1cnnc([O-])c1Cl)c1cc2c(C)nn(C)c2s1 ZINC000807958580 1281478306 /nfs/dbraw/zinc/47/83/06/1281478306.db2.gz BEQBAQFITWJNDS-UHFFFAOYSA-N -1 0 336.808 2.928 20 30 EFEDRM CC[C@@H]1CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000807963092 1281480889 /nfs/dbraw/zinc/48/08/89/1281480889.db2.gz VODJZPKDOSKDBA-GFCCVEGCSA-N -1 0 345.428 2.865 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccccc1OCC(=O)[O-] ZINC000807991614 1281485544 /nfs/dbraw/zinc/48/55/44/1281485544.db2.gz QKMQZLGCYZBOOG-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM O=C([O-])COc1ccccc1CN=Nc1nccnc1C1CCC1 ZINC000807993682 1281486661 /nfs/dbraw/zinc/48/66/61/1281486661.db2.gz CTIHNQQUZPZRJQ-UHFFFAOYSA-N -1 0 326.356 2.654 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000103635105 1281546079 /nfs/dbraw/zinc/54/60/79/1281546079.db2.gz CYCDKRVTRBQPNU-OAHLLOKOSA-N -1 0 342.420 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCCC3)cc1Cl ZINC000747477621 1281650299 /nfs/dbraw/zinc/65/02/99/1281650299.db2.gz DLALXKPATWQQRC-GFCCVEGCSA-N -1 0 338.816 2.597 20 30 EFEDRM CC(=O)c1cc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)ccc1[O-] ZINC001148670163 1281723543 /nfs/dbraw/zinc/72/35/43/1281723543.db2.gz GNQZTKQUTQIXKI-UHFFFAOYSA-N -1 0 348.358 2.999 20 30 EFEDRM Cc1ccc(C(=NC(=O)c2cc(Cl)cc(Cl)c2[O-])NO)nc1 ZINC001148813622 1281770309 /nfs/dbraw/zinc/77/03/09/1281770309.db2.gz DOIAGDNLGRGJFC-UHFFFAOYSA-N -1 0 340.166 2.968 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)c1 ZINC000808980012 1281981624 /nfs/dbraw/zinc/98/16/24/1281981624.db2.gz RDUBIXRCLMMSJN-CYBMUJFWSA-N -1 0 325.324 2.522 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000809154549 1282067766 /nfs/dbraw/zinc/06/77/66/1282067766.db2.gz XZSVSBIDOSOUNY-VURMDHGXSA-N -1 0 349.346 2.876 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000809158320 1282069814 /nfs/dbraw/zinc/06/98/14/1282069814.db2.gz XCQNFABPNGWBOD-HYXAFXHYSA-N -1 0 332.333 2.835 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000872351278 1287547552 /nfs/dbraw/zinc/54/75/52/1287547552.db2.gz BGFATHYROOCGBC-UHFFFAOYSA-N -1 0 345.424 2.811 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000748003485 1287560247 /nfs/dbraw/zinc/56/02/47/1287560247.db2.gz YJZNKCUKEGCKTG-MRXNPFEDSA-N -1 0 349.390 2.755 20 30 EFEDRM [O-]c1c(Br)cc(Br)cc1C=NN1CCC1 ZINC000872395165 1287561728 /nfs/dbraw/zinc/56/17/28/1287561728.db2.gz VZAJGSRVIMKGDO-UHFFFAOYSA-N -1 0 334.011 2.957 20 30 EFEDRM Cc1ccc(-c2n[nH]cc2C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000810197759 1283032602 /nfs/dbraw/zinc/03/26/02/1283032602.db2.gz UTBDZHYTQITXBH-ZPUOCTKUSA-N -1 0 336.347 2.613 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000810519713 1283307554 /nfs/dbraw/zinc/30/75/54/1283307554.db2.gz UXQSYHUDQCHVMN-UHFFFAOYSA-N -1 0 341.432 2.668 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000810520685 1283309385 /nfs/dbraw/zinc/30/93/85/1283309385.db2.gz ISFZGBJNXVMXFF-UHFFFAOYSA-N -1 0 333.331 2.560 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cccc(C#N)n1 ZINC000810522017 1283309564 /nfs/dbraw/zinc/30/95/64/1283309564.db2.gz VUBWZQRBCQZEAY-CQSZACIVSA-N -1 0 328.331 2.948 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c(Cl)c1 ZINC000810530123 1283324267 /nfs/dbraw/zinc/32/42/67/1283324267.db2.gz WLCJGJFLBKPYOX-LBPRGKRZSA-N -1 0 336.819 2.723 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810536981 1283360336 /nfs/dbraw/zinc/36/03/36/1283360336.db2.gz PPYJEQZQROPIHL-QGZVFWFLSA-N -1 0 338.407 2.977 20 30 EFEDRM C=CCCNC(=S)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001247650303 1283377743 /nfs/dbraw/zinc/37/77/43/1283377743.db2.gz SEUUSQDGHDDKDV-UHFFFAOYSA-N -1 0 334.850 2.758 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810636228 1283446403 /nfs/dbraw/zinc/44/64/03/1283446403.db2.gz NNPACTSNHUQBCW-ZDUSSCGKSA-N -1 0 329.787 2.988 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000810671997 1283480541 /nfs/dbraw/zinc/48/05/41/1283480541.db2.gz MIROBFOYTXVZKR-UHFFFAOYSA-N -1 0 334.224 2.848 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccn1C ZINC000810707840 1283545596 /nfs/dbraw/zinc/54/55/96/1283545596.db2.gz BQESDHYFLJLXPO-CQSZACIVSA-N -1 0 345.349 2.505 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCCCC)cc1Cl ZINC000810780770 1283586607 /nfs/dbraw/zinc/58/66/07/1283586607.db2.gz QINHTZIWHVCGML-UHFFFAOYSA-N -1 0 343.832 2.602 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000810784426 1283587741 /nfs/dbraw/zinc/58/77/41/1283587741.db2.gz DZBZEPBGOAECII-JTQLQIEISA-N -1 0 348.251 2.641 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000810783920 1283587546 /nfs/dbraw/zinc/58/75/46/1283587546.db2.gz KDSWSKLJUGSOHF-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc(C2CCCCC2)nc1C ZINC000810782808 1283587822 /nfs/dbraw/zinc/58/78/22/1283587822.db2.gz YHIGNSYOPKJAAY-UHFFFAOYSA-N -1 0 340.470 2.582 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000810784427 1283588025 /nfs/dbraw/zinc/58/80/25/1283588025.db2.gz DZBZEPBGOAECII-SNVBAGLBSA-N -1 0 348.251 2.641 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1SCC=C(C)C ZINC000810772754 1283623603 /nfs/dbraw/zinc/62/36/03/1283623603.db2.gz DJQDZOPDCLYIHQ-UHFFFAOYSA-N -1 0 337.466 2.828 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc(-c2ccccc2C)nc1C ZINC000810772834 1283633884 /nfs/dbraw/zinc/63/38/84/1283633884.db2.gz GYYMXBQWUKYBTE-UHFFFAOYSA-N -1 0 348.449 2.510 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000810773799 1283634393 /nfs/dbraw/zinc/63/43/93/1283634393.db2.gz GIMBUYANZUECBX-KTKRTIGZSA-N -1 0 346.235 2.866 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000810778471 1283636835 /nfs/dbraw/zinc/63/68/35/1283636835.db2.gz ZHPNWAOOZRWDFF-SNVBAGLBSA-N -1 0 348.251 2.641 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000810778366 1283636916 /nfs/dbraw/zinc/63/69/16/1283636916.db2.gz VHKRIGGSFZODPF-UHFFFAOYSA-N -1 0 329.421 2.587 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000810778239 1283637740 /nfs/dbraw/zinc/63/77/40/1283637740.db2.gz ZBMNGKPBDDGPTB-UHFFFAOYSA-N -1 0 337.397 2.637 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2 ZINC000810779550 1283640238 /nfs/dbraw/zinc/64/02/38/1283640238.db2.gz RNQKKJDKFQELQU-AWNIVKPZSA-N -1 0 335.469 2.618 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810969163 1283873418 /nfs/dbraw/zinc/87/34/18/1283873418.db2.gz TVNSIYJWQBIBCO-UHFFFAOYSA-N -1 0 339.379 2.603 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3ccccc3)ns2)CC1 ZINC000810980043 1283885140 /nfs/dbraw/zinc/88/51/40/1283885140.db2.gz NKUMDILFMOXYRF-UHFFFAOYSA-N -1 0 348.449 2.978 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000810981117 1283907460 /nfs/dbraw/zinc/90/74/60/1283907460.db2.gz MJCWRFQTSHAHNW-GHMZBOCLSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3ccccc3c2C)CC1 ZINC000810983488 1283907608 /nfs/dbraw/zinc/90/76/08/1283907608.db2.gz BUPLJWUTMCTDSM-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000810982480 1283908083 /nfs/dbraw/zinc/90/80/83/1283908083.db2.gz RPNSFDCBMXEKQT-MNOVXSKESA-N -1 0 339.379 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000810986560 1283913543 /nfs/dbraw/zinc/91/35/43/1283913543.db2.gz FCLILCDKTVGKJX-UHFFFAOYSA-N -1 0 327.833 2.827 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000810985473 1283913985 /nfs/dbraw/zinc/91/39/85/1283913985.db2.gz MTWGJKUDFCMTEJ-UONOGXRCSA-N -1 0 339.844 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000810986574 1283914263 /nfs/dbraw/zinc/91/42/63/1283914263.db2.gz FWAQIJPJUSZSQI-UHFFFAOYSA-N -1 0 342.486 2.538 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2c[nH]c3c2cccc3C)CC1 ZINC000810986214 1283914938 /nfs/dbraw/zinc/91/49/38/1283914938.db2.gz QZCWQOBPAVZITJ-UHFFFAOYSA-N -1 0 346.452 2.964 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000810986862 1283915328 /nfs/dbraw/zinc/91/53/28/1283915328.db2.gz PVKBUCOXCXLEDD-LBPRGKRZSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000810986965 1283915341 /nfs/dbraw/zinc/91/53/41/1283915341.db2.gz UEASPBLMHJDXEI-LBPRGKRZSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc(C(C)(C)C)n2)CC1 ZINC000810988678 1283915354 /nfs/dbraw/zinc/91/53/54/1283915354.db2.gz OXNACNUCPZPAPG-UHFFFAOYSA-N -1 0 328.459 2.609 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2cccc(OC)c2)CC1 ZINC000810987822 1283915478 /nfs/dbraw/zinc/91/54/78/1283915478.db2.gz AXVNWLKSTDKLPU-CYBMUJFWSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000810988909 1283915690 /nfs/dbraw/zinc/91/56/90/1283915690.db2.gz SKHTULJLVODFIP-UHFFFAOYSA-N -1 0 332.425 2.655 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(COC(C)C)cc2)CC1 ZINC000810986983 1283915976 /nfs/dbraw/zinc/91/59/76/1283915976.db2.gz UOPQHTLNXHDAJJ-UHFFFAOYSA-N -1 0 337.441 2.780 20 30 EFEDRM C=CCC(CC=C)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811149552 1284068662 /nfs/dbraw/zinc/06/86/62/1284068662.db2.gz NNLLGSVIOHKHDI-UHFFFAOYSA-N -1 0 344.363 2.765 20 30 EFEDRM N#Cc1csc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811514435 1284390983 /nfs/dbraw/zinc/39/09/83/1284390983.db2.gz KPHUIMOCTJVLKM-SNVBAGLBSA-N -1 0 331.363 2.510 20 30 EFEDRM CC[C@H](O)CNN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000811657742 1284464130 /nfs/dbraw/zinc/46/41/30/1284464130.db2.gz SBOWVKZELBEXPD-INIZCTEOSA-N -1 0 342.395 2.658 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000811666514 1284494448 /nfs/dbraw/zinc/49/44/48/1284494448.db2.gz FVNAZMAJNLNZLD-OAHLLOKOSA-N -1 0 342.395 2.931 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000811666513 1284494867 /nfs/dbraw/zinc/49/48/67/1284494867.db2.gz FVNAZMAJNLNZLD-HNNXBMFYSA-N -1 0 342.395 2.931 20 30 EFEDRM COc1cc(C=NN[C@@H](C)COc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000811666252 1284495153 /nfs/dbraw/zinc/49/51/53/1284495153.db2.gz BARBYJIUGNKKRL-LBPRGKRZSA-N -1 0 345.355 2.700 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000811685155 1284512506 /nfs/dbraw/zinc/51/25/06/1284512506.db2.gz KMBHHUJUSJSEQS-UHFFFAOYSA-N -1 0 339.413 2.884 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000811830950 1284661357 /nfs/dbraw/zinc/66/13/57/1284661357.db2.gz NDDUQIOQLBNRMD-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ncccn1 ZINC000813057204 1285620634 /nfs/dbraw/zinc/62/06/34/1285620634.db2.gz HKDBASZBQOXSJK-AWEZNQCLSA-N -1 0 332.363 2.791 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813984326 1286233243 /nfs/dbraw/zinc/23/32/43/1286233243.db2.gz PPUFOMNHNDZDGW-UHFFFAOYSA-N -1 0 337.445 2.899 20 30 EFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCCCC1 ZINC000813984071 1286233482 /nfs/dbraw/zinc/23/34/82/1286233482.db2.gz JNTUJASQQOGUTG-UHFFFAOYSA-N -1 0 349.456 2.755 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)OCC ZINC000814016995 1286238696 /nfs/dbraw/zinc/23/86/96/1286238696.db2.gz RIJHNEVOKHZTQG-HOTGVXAUSA-N -1 0 339.457 2.955 20 30 EFEDRM CC(=O)N1CCN(c2ccc(Nc3scc([O-])c3C#N)cc2)CC1 ZINC001212679962 1286260168 /nfs/dbraw/zinc/26/01/68/1286260168.db2.gz FLXQSKNOPGCBDI-UHFFFAOYSA-N -1 0 342.424 2.737 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000814012989 1286262150 /nfs/dbraw/zinc/26/21/50/1286262150.db2.gz MVKYBNZTOUVNQI-AWEZNQCLSA-N -1 0 334.422 2.831 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cnn(CC(F)F)c2)c1 ZINC000814187236 1286391990 /nfs/dbraw/zinc/39/19/90/1286391990.db2.gz DFSSSGUOSVSKLB-PLNGDYQASA-N -1 0 336.294 2.508 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(SCc2ccccc2)cc1 ZINC000814231787 1286428285 /nfs/dbraw/zinc/42/82/85/1286428285.db2.gz NXNKRLQXZGWYDW-UHFFFAOYSA-N -1 0 326.381 2.864 20 30 EFEDRM Cc1cc(=O)nc(NN=C2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)[nH]1 ZINC000814681316 1286890546 /nfs/dbraw/zinc/89/05/46/1286890546.db2.gz GJHGEAHSRGRWHQ-UHFFFAOYSA-N -1 0 346.774 2.728 20 30 EFEDRM CC(=NNc1nc(C)cc(=O)[nH]1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814681383 1286890557 /nfs/dbraw/zinc/89/05/57/1286890557.db2.gz JENDNTHRYHKFRD-UHFFFAOYSA-N -1 0 344.371 2.570 20 30 EFEDRM C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000814685153 1286896013 /nfs/dbraw/zinc/89/60/13/1286896013.db2.gz LYLJKNZYJYYTBD-KWQFWETISA-N -1 0 336.304 2.792 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814685195 1286897456 /nfs/dbraw/zinc/89/74/56/1286897456.db2.gz MPEPYWSIZPLBKA-DTWKUNHWSA-N -1 0 336.304 2.792 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@H]1CCCC[C@@H]1C ZINC000814729940 1286953197 /nfs/dbraw/zinc/95/31/97/1286953197.db2.gz GTZWMILGEFMTFV-LOWDOPEQSA-N -1 0 325.478 2.906 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000814715973 1286961023 /nfs/dbraw/zinc/96/10/23/1286961023.db2.gz UELCZHPYPIFOQZ-JQWIXIFHSA-N -1 0 335.429 2.858 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(=NNC(=S)Nc2cccnc2)C1 ZINC000814721182 1286964891 /nfs/dbraw/zinc/96/48/91/1286964891.db2.gz XWRKLGYFXPRBAE-UHFFFAOYSA-N -1 0 340.408 2.540 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814721246 1286965620 /nfs/dbraw/zinc/96/56/20/1286965620.db2.gz ANGKLXYQHVTRIQ-YGRLFVJLSA-N -1 0 335.429 2.858 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814770511 1287013161 /nfs/dbraw/zinc/01/31/61/1287013161.db2.gz HSGFVFWJTXNYQB-YPMHNXCESA-N -1 0 342.399 2.705 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814770449 1287013276 /nfs/dbraw/zinc/01/32/76/1287013276.db2.gz FPWRURWJUHFEQT-RYUDHWBXSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)NCCc1cccs1 ZINC000814792305 1287021639 /nfs/dbraw/zinc/02/16/39/1287021639.db2.gz FUVGDVHIEXPUAF-GHMZBOCLSA-N -1 0 339.486 2.632 20 30 EFEDRM COc1ccnc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)n1 ZINC000814798997 1287028450 /nfs/dbraw/zinc/02/84/50/1287028450.db2.gz RRRDEEXZDNMOCK-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM O=S(=O)([N-]c1ccccn1)c1ccc(N=NC2CC3(CC3)C2)nc1 ZINC000814800764 1287029825 /nfs/dbraw/zinc/02/98/25/1287029825.db2.gz LJNYOSDUCVQANA-UHFFFAOYSA-N -1 0 343.412 2.619 20 30 EFEDRM CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814815931 1287047726 /nfs/dbraw/zinc/04/77/26/1287047726.db2.gz GAMQTDKBCSDTGE-UHFFFAOYSA-N -1 0 337.832 2.766 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]n1cnc2sc3c(c2c1=O)CCCC3 ZINC000814816991 1287051485 /nfs/dbraw/zinc/05/14/85/1287051485.db2.gz GBXBIWVPAGTGQO-UHFFFAOYSA-N -1 0 339.367 2.618 20 30 EFEDRM O=C([O-])c1cccc(CN=Nc2nc(-c3ccncc3)no2)c1Cl ZINC000814827296 1287066239 /nfs/dbraw/zinc/06/62/39/1287066239.db2.gz DJVLNLRGOJAXNN-UHFFFAOYSA-N -1 0 343.730 2.929 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000814806199 1287072613 /nfs/dbraw/zinc/07/26/13/1287072613.db2.gz RFVRSFRNEIJIQG-UHFFFAOYSA-N -1 0 326.312 2.574 20 30 EFEDRM C[C@H]1CC(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000814838086 1287086969 /nfs/dbraw/zinc/08/69/69/1287086969.db2.gz AEBHERIJYRAIFO-XHDPSFHLSA-N -1 0 348.472 2.916 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CC(c3cc(F)cc(F)c3)C1)[n-]c2=O ZINC000814848282 1287096249 /nfs/dbraw/zinc/09/62/49/1287096249.db2.gz RRFWYZFPLPXIJI-UHFFFAOYSA-N -1 0 344.325 2.693 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN=C(C)c1cnccn1 ZINC000814861688 1287104559 /nfs/dbraw/zinc/10/45/59/1287104559.db2.gz RNHVVWHXZHBNDD-UHFFFAOYSA-N -1 0 340.383 2.758 20 30 EFEDRM COc1cc(C)nc(N=NC2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC000814862169 1287105612 /nfs/dbraw/zinc/10/56/12/1287105612.db2.gz HYJMSZGFVVMZCD-UHFFFAOYSA-N -1 0 326.356 2.644 20 30 EFEDRM CC(=NNC(=S)N[C@@H](C)C1CC1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814866108 1287107987 /nfs/dbraw/zinc/10/79/87/1287107987.db2.gz JILNDXHKDASHRX-CMPLNLGQSA-N -1 0 349.456 2.525 20 30 EFEDRM C[C@H](NC(=S)NN=Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000814866337 1287108824 /nfs/dbraw/zinc/10/88/24/1287108824.db2.gz QGWJXWUNMKFDRY-QMMMGPOBSA-N -1 0 325.821 2.635 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ncc(F)cn1 ZINC000814890197 1287131077 /nfs/dbraw/zinc/13/10/77/1287131077.db2.gz XMJSWSYBSKWNEH-GFCCVEGCSA-N -1 0 346.362 2.888 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ccncc1 ZINC000814899851 1287138769 /nfs/dbraw/zinc/13/87/69/1287138769.db2.gz RFIUBZHSTXCFQX-UHFFFAOYSA-N -1 0 327.384 2.778 20 30 EFEDRM COc1cc(C(C)=NNCC(F)(F)F)ccc1OCCCC(=O)[O-] ZINC000814904411 1287144102 /nfs/dbraw/zinc/14/41/02/1287144102.db2.gz HZBNONZGQOTOAV-UHFFFAOYSA-N -1 0 348.321 2.815 20 30 EFEDRM CC(=NN[C@H](CO)c1ccccc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814920049 1287154320 /nfs/dbraw/zinc/15/43/20/1287154320.db2.gz YQQZDNPFBVRSFK-KBXCAEBGSA-N -1 0 342.395 2.586 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1cncnc1 ZINC000814926725 1287159205 /nfs/dbraw/zinc/15/92/05/1287159205.db2.gz GSDOFPBBWOYXDE-CYBMUJFWSA-N -1 0 328.372 2.749 20 30 EFEDRM CC[C@@H](NN=C1CCc2cccc(Br)c2C1)C(=O)[O-] ZINC000814936745 1287167777 /nfs/dbraw/zinc/16/77/77/1287167777.db2.gz HWTSMXUYGKDWBR-CYBMUJFWSA-N -1 0 325.206 2.747 20 30 EFEDRM CC[C@H](NN=C1COc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000814937099 1287167849 /nfs/dbraw/zinc/16/78/49/1287167849.db2.gz UXJCTNVBGAFYLI-INIZCTEOSA-N -1 0 340.379 2.815 20 30 EFEDRM C[C@H]1C(N=Nc2ccc(-n3ccnc3)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814915178 1287174053 /nfs/dbraw/zinc/17/40/53/1287174053.db2.gz PYSFXTZPERQJGE-NWDGAFQWSA-N -1 0 342.403 2.587 20 30 EFEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccccc1S(N)(=O)=O ZINC000814917010 1287175246 /nfs/dbraw/zinc/17/52/46/1287175246.db2.gz GYTKIUDDAIPWKT-UHFFFAOYSA-N -1 0 341.433 2.547 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1nccn1C ZINC000814918155 1287176764 /nfs/dbraw/zinc/17/67/64/1287176764.db2.gz CVXQLERADUBNCT-ZDUSSCGKSA-N -1 0 330.388 2.693 20 30 EFEDRM O=C1C=C(NN=c2[n-]nc(-c3ccccc3)s2)[C@H]2CCCCN12 ZINC000814947126 1287177748 /nfs/dbraw/zinc/17/77/48/1287177748.db2.gz CEXNDQYWJFDVDD-CYBMUJFWSA-N -1 0 327.413 2.758 20 30 EFEDRM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNCC(=O)[O-])cc1 ZINC000814958224 1287187553 /nfs/dbraw/zinc/18/75/53/1287187553.db2.gz GACQREFNSUYAJI-UHFFFAOYSA-N -1 0 334.379 2.856 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000815877791 1287863710 /nfs/dbraw/zinc/86/37/10/1287863710.db2.gz HMBBNTSTFIQLMW-HNNXBMFYSA-N -1 0 335.363 2.646 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1 ZINC000815904929 1287875448 /nfs/dbraw/zinc/87/54/48/1287875448.db2.gz TYSCAPCEZDMGDB-QGZVFWFLSA-N -1 0 340.427 2.643 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815906909 1287876284 /nfs/dbraw/zinc/87/62/84/1287876284.db2.gz MMHRPGJGLHVIRR-GOSISDBHSA-N -1 0 346.386 2.844 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000815907227 1287876307 /nfs/dbraw/zinc/87/63/07/1287876307.db2.gz WAUWXJDUQIPTOD-AWEZNQCLSA-N -1 0 326.377 2.590 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)c(CC)s1 ZINC000815908900 1287878966 /nfs/dbraw/zinc/87/89/66/1287878966.db2.gz MFNWCNNYPYIGKM-MRVPVSSYSA-N -1 0 341.230 2.698 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000815898519 1287889161 /nfs/dbraw/zinc/88/91/61/1287889161.db2.gz IAYOHXRAJYJUMN-UHFFFAOYSA-N -1 0 329.368 2.582 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C(F)=C\C2CCCCC2)c1 ZINC000815898905 1287890228 /nfs/dbraw/zinc/89/02/28/1287890228.db2.gz YCQDISUWTOWHKN-XNTDXEJSSA-N -1 0 336.388 2.797 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2ccccc2OC)CCCCC1 ZINC000815997717 1287946558 /nfs/dbraw/zinc/94/65/58/1287946558.db2.gz UZYLIURYFTXMEQ-UHFFFAOYSA-N -1 0 337.441 2.529 20 30 EFEDRM C=CCn1cc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001176548959 1288033002 /nfs/dbraw/zinc/03/30/02/1288033002.db2.gz WWUXNWDZTORYOG-UHFFFAOYSA-N -1 0 345.380 2.918 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C)OCC ZINC000816336734 1288059532 /nfs/dbraw/zinc/05/95/32/1288059532.db2.gz OZXCPLSQDHJTEJ-INIZCTEOSA-N -1 0 339.457 2.621 20 30 EFEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794724202 1303025732 /nfs/dbraw/zinc/02/57/32/1303025732.db2.gz CUGGFGYPYGDUDC-RJRFIUFISA-N -1 0 331.274 2.897 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCCC)cc1 ZINC000785183470 1288823010 /nfs/dbraw/zinc/82/30/10/1288823010.db2.gz UGRCCDFGCILOSM-UHFFFAOYSA-N -1 0 337.441 2.864 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000821985036 1288840988 /nfs/dbraw/zinc/84/09/88/1288840988.db2.gz PGPBHOKIXVFXEW-UHFFFAOYSA-N -1 0 329.368 2.847 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000821984610 1288841097 /nfs/dbraw/zinc/84/10/97/1288841097.db2.gz IXAIAAQXZDHLNO-UHFFFAOYSA-N -1 0 329.368 2.662 20 30 EFEDRM N#Cc1cc(F)c(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c(Cl)c1 ZINC001180176086 1289428260 /nfs/dbraw/zinc/42/82/60/1289428260.db2.gz LDOYCLJKBSDTEW-UHFFFAOYSA-N -1 0 342.607 2.644 20 30 EFEDRM COc1cccc2c1OC[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])C2 ZINC001180404979 1289525733 /nfs/dbraw/zinc/52/57/33/1289525733.db2.gz UELBBOXCCZVTCQ-GFCCVEGCSA-N -1 0 342.326 2.601 20 30 EFEDRM CCCOc1ccc([C@@H](O)C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001180837506 1289635867 /nfs/dbraw/zinc/63/58/67/1289635867.db2.gz ITSUXPSBHRZUQB-QGZVFWFLSA-N -1 0 344.342 2.864 20 30 EFEDRM N#CCCCCNC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181015946 1289676156 /nfs/dbraw/zinc/67/61/56/1289676156.db2.gz FBJQIHWOJUBLHR-ZDUSSCGKSA-N -1 0 341.333 2.606 20 30 EFEDRM N#CC1(CC(=O)Nc2nc[n-]c(=O)c2Br)CCCCC1 ZINC001181344233 1289774296 /nfs/dbraw/zinc/77/42/96/1289774296.db2.gz BVKYYWHYZPNFLF-UHFFFAOYSA-N -1 0 339.193 2.747 20 30 EFEDRM CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000873501990 1289877156 /nfs/dbraw/zinc/87/71/56/1289877156.db2.gz MRTAKKMZJOGRAB-SNVBAGLBSA-N -1 0 328.821 2.843 20 30 EFEDRM COc1c(F)cc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1F ZINC001181652306 1289885748 /nfs/dbraw/zinc/88/57/48/1289885748.db2.gz WAIVWNADTICNDN-UHFFFAOYSA-N -1 0 336.269 2.871 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC000873933814 1290127907 /nfs/dbraw/zinc/12/79/07/1290127907.db2.gz BCINLOTUPUVKDJ-MRVPVSSYSA-N -1 0 334.269 2.714 20 30 EFEDRM N#Cc1ccc([O-])c(CN2Cc3cc(Br)cnc3C2)c1 ZINC001232678802 1312760074 /nfs/dbraw/zinc/76/00/74/1312760074.db2.gz QTHPTUMITGGMSZ-UHFFFAOYSA-N -1 0 330.185 2.937 20 30 EFEDRM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1cc(C#N)ccc1[O-] ZINC001232680907 1312760407 /nfs/dbraw/zinc/76/04/07/1312760407.db2.gz IRDLAWIBXRUMRH-MRXNPFEDSA-N -1 0 346.427 2.587 20 30 EFEDRM C[C@H](C(=O)Nc1nc[n-]c(=O)c1Br)c1ccc(C#N)cc1 ZINC001182786053 1290254839 /nfs/dbraw/zinc/25/48/39/1290254839.db2.gz CIQYEIRBFUDCBG-QMMMGPOBSA-N -1 0 347.172 2.559 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CC34CCC4)cc2[n-]c1=S ZINC000874788269 1290366706 /nfs/dbraw/zinc/36/67/06/1290366706.db2.gz JPUYGJUUOVSVLC-AWEZNQCLSA-N -1 0 341.436 2.544 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135884 1290601200 /nfs/dbraw/zinc/60/12/00/1290601200.db2.gz ZHJZKWIAPYXDLC-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CCCc1ccc(Br)s1 ZINC000092462246 1290759553 /nfs/dbraw/zinc/75/95/53/1290759553.db2.gz QWJBEEYJADKOIR-UHFFFAOYSA-N -1 0 346.246 2.933 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1(C#N)CCCCCC1 ZINC001185923937 1290794845 /nfs/dbraw/zinc/79/48/45/1290794845.db2.gz PWOLNHBDZKMCFA-UHFFFAOYSA-N -1 0 336.413 2.588 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c2cccnc12 ZINC001186001377 1290806428 /nfs/dbraw/zinc/80/64/28/1290806428.db2.gz UYHMSBCQPFNXDE-UHFFFAOYSA-N -1 0 349.375 2.784 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2CC)cc1 ZINC000092693574 1290821792 /nfs/dbraw/zinc/82/17/92/1290821792.db2.gz SLIKJCBRBZPPLI-UHFFFAOYSA-N -1 0 335.429 2.629 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)cnn1C(C)C ZINC000092700708 1290843666 /nfs/dbraw/zinc/84/36/66/1290843666.db2.gz IEHZPECPXXEGHW-UHFFFAOYSA-N -1 0 342.808 2.514 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2OC)cc1 ZINC000093242681 1291082669 /nfs/dbraw/zinc/08/26/69/1291082669.db2.gz KLPMRULCLMIKAQ-UHFFFAOYSA-N -1 0 334.397 2.736 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000093242093 1291082866 /nfs/dbraw/zinc/08/28/66/1291082866.db2.gz GZOWMGRPPQIZJJ-UHFFFAOYSA-N -1 0 334.397 2.791 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187139866 1291111002 /nfs/dbraw/zinc/11/10/02/1291111002.db2.gz KNGQIDJURYMYNI-UHFFFAOYSA-N -1 0 337.813 2.831 20 30 EFEDRM CCOCCS(=O)(=O)[N-]c1nc(-c2ccc(C#N)s2)cs1 ZINC001187257110 1291142879 /nfs/dbraw/zinc/14/28/79/1291142879.db2.gz RVWNVXLONOUTON-UHFFFAOYSA-N -1 0 343.455 2.521 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1cc(C#N)cc(C(F)(F)F)c1 ZINC001187376058 1291153376 /nfs/dbraw/zinc/15/33/76/1291153376.db2.gz JKIDICYCDCKCRS-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2nccs2)sc2c1CCCC2 ZINC001187848050 1291246392 /nfs/dbraw/zinc/24/63/92/1291246392.db2.gz QKTSRNAJOGSMAD-UHFFFAOYSA-N -1 0 325.440 2.756 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2nccs2)cc1C(F)(F)F ZINC001187891173 1291265719 /nfs/dbraw/zinc/26/57/19/1291265719.db2.gz IZTGWGIULCEUNG-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(NC(C)=O)ncn1 ZINC001187994248 1291280873 /nfs/dbraw/zinc/28/08/73/1291280873.db2.gz GYOFMEMOIMFUGI-UHFFFAOYSA-N -1 0 328.438 2.537 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC1 ZINC000075778402 1291280991 /nfs/dbraw/zinc/28/09/91/1291280991.db2.gz NZKQKSXINNIHHI-UHFFFAOYSA-N -1 0 346.364 2.972 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cncnc1C(=O)OCC ZINC001187994095 1291281234 /nfs/dbraw/zinc/28/12/34/1291281234.db2.gz DAEOVWHNTABEEL-UHFFFAOYSA-N -1 0 343.449 2.756 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)C(F)(F)F ZINC001188020808 1291297251 /nfs/dbraw/zinc/29/72/51/1291297251.db2.gz HIRSUHXOUSQCLA-NSHDSACASA-N -1 0 347.399 2.760 20 30 EFEDRM N#Cc1cnn(-c2ccc(Cl)cc2)c1[N-]S(=O)(=O)C1CCC1 ZINC001188108483 1291313063 /nfs/dbraw/zinc/31/30/63/1291313063.db2.gz FMXRBCGMEVUWHV-UHFFFAOYSA-N -1 0 336.804 2.692 20 30 EFEDRM C=C[C@H]1C[C@@]1(NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(=O)OCC ZINC001188587767 1291429282 /nfs/dbraw/zinc/42/92/82/1291429282.db2.gz AQBFGXSVKRFWQG-BONVTDFDSA-N -1 0 343.301 2.649 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(Oc2cccnc2)cc1 ZINC001188858021 1291498337 /nfs/dbraw/zinc/49/83/37/1291498337.db2.gz MKQAIHHQHQHQJD-UHFFFAOYSA-N -1 0 342.336 2.534 20 30 EFEDRM N#Cc1cnn(-c2ccc(Cl)cc2)c1[N-]S(=O)(=O)CC1CC1 ZINC001188937185 1291520521 /nfs/dbraw/zinc/52/05/21/1291520521.db2.gz KVYREIOSRHGCIV-UHFFFAOYSA-N -1 0 336.804 2.549 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001189199817 1291610362 /nfs/dbraw/zinc/61/03/62/1291610362.db2.gz DAFUUTHYVIMFJI-UHFFFAOYSA-N -1 0 347.396 2.847 20 30 EFEDRM CC(=O)Oc1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1C ZINC001189412034 1291716566 /nfs/dbraw/zinc/71/65/66/1291716566.db2.gz TWUOKEMSSALOLR-UHFFFAOYSA-N -1 0 328.299 2.889 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000775246370 1291720656 /nfs/dbraw/zinc/72/06/56/1291720656.db2.gz SWBGZCQBCGGKJE-HUUCEWRRSA-N -1 0 333.494 2.998 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(C#N)c1 ZINC001189463076 1291731562 /nfs/dbraw/zinc/73/15/62/1291731562.db2.gz DFKNRQCNKTWBSS-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C)cc2C#N)c1 ZINC001189586076 1291771771 /nfs/dbraw/zinc/77/17/71/1291771771.db2.gz GENNYJGSEMFIKZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2occ(C)c2C#N)c1 ZINC001189586779 1291772066 /nfs/dbraw/zinc/77/20/66/1291772066.db2.gz JORJFWXWPXTDGR-UHFFFAOYSA-N -1 0 326.761 2.923 20 30 EFEDRM C[C@@H](C#N)c1ccc(NC(=O)c2ccccc2S(=O)(=O)[O-])cc1 ZINC001189694322 1291817028 /nfs/dbraw/zinc/81/70/28/1291817028.db2.gz NCRWOYNZHUTNMI-NSHDSACASA-N -1 0 330.365 2.813 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000775295171 1291820889 /nfs/dbraw/zinc/82/08/89/1291820889.db2.gz DSPTZXIMIWPPMR-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2ccc([S-])cc2)[C@@H](C#N)C1 ZINC001233259360 1312887302 /nfs/dbraw/zinc/88/73/02/1312887302.db2.gz PCYZRODDMDKVMW-AWEZNQCLSA-N -1 0 333.457 2.920 20 30 EFEDRM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1ccc([S-])cc1 ZINC001233259787 1312888253 /nfs/dbraw/zinc/88/82/53/1312888253.db2.gz GCWHSBZXTIYIIU-KRWDZBQOSA-N -1 0 344.484 2.889 20 30 EFEDRM C=C(C)C(=O)OCCNC(=O)c1cc(Br)ccc1[S-] ZINC001189970570 1291935758 /nfs/dbraw/zinc/93/57/58/1291935758.db2.gz WVUXTWMQMLXOHF-UHFFFAOYSA-N -1 0 344.230 2.587 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189948467 1291943447 /nfs/dbraw/zinc/94/34/47/1291943447.db2.gz BWDKHJVOGOBLFA-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cnc(NC(=O)c2cc(Br)ccc2[S-])cn1 ZINC001189950559 1291943554 /nfs/dbraw/zinc/94/35/54/1291943554.db2.gz DXJNIDPFCVMBKT-UHFFFAOYSA-N -1 0 335.186 2.652 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1C#N ZINC001189948740 1291943815 /nfs/dbraw/zinc/94/38/15/1291943815.db2.gz JTRVQOLWWLGYMJ-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)ccc1F ZINC001190107420 1291989022 /nfs/dbraw/zinc/98/90/22/1291989022.db2.gz HMOFLFPTRIDFKJ-UHFFFAOYSA-N -1 0 335.360 2.519 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190141490 1292002405 /nfs/dbraw/zinc/00/24/05/1292002405.db2.gz PTLNPYFFYXIVSH-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182519 1292048907 /nfs/dbraw/zinc/04/89/07/1292048907.db2.gz AWEPEQQAMMUELB-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190183623 1292050949 /nfs/dbraw/zinc/05/09/49/1292050949.db2.gz RAIJSOROZSOCQD-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190295324 1292110854 /nfs/dbraw/zinc/11/08/54/1292110854.db2.gz ADQQMZKFINUJGR-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 ZINC001190295452 1292111415 /nfs/dbraw/zinc/11/14/15/1292111415.db2.gz USPJRRMFYBSMGW-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1C#N ZINC001190347503 1292128187 /nfs/dbraw/zinc/12/81/87/1292128187.db2.gz DUULLBXJTKQEIY-UHFFFAOYSA-N -1 0 333.316 2.541 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190387867 1292141930 /nfs/dbraw/zinc/14/19/30/1292141930.db2.gz NFHCZPMNTHRFKW-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cc(F)cc(F)c1F ZINC001190405057 1292153241 /nfs/dbraw/zinc/15/32/41/1292153241.db2.gz RGJVBNBCANJKNH-UHFFFAOYSA-N -1 0 343.195 2.580 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190379139 1292160108 /nfs/dbraw/zinc/16/01/08/1292160108.db2.gz DLPXESPBYJLDEK-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cc1 ZINC001190432162 1292172543 /nfs/dbraw/zinc/17/25/43/1292172543.db2.gz QKOFJGPCCCYFDN-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cnc1Cl ZINC001190615711 1292227076 /nfs/dbraw/zinc/22/70/76/1292227076.db2.gz ANBJFLKIFUTYSK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)c1 ZINC001190616071 1292226587 /nfs/dbraw/zinc/22/65/87/1292226587.db2.gz JFLYCVQYPAKEJM-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Cl)c1 ZINC001190617592 1292229248 /nfs/dbraw/zinc/22/92/48/1292229248.db2.gz OKLGRJFFIYONLQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190619493 1292229474 /nfs/dbraw/zinc/22/94/74/1292229474.db2.gz OPUCZVZRKLZRQA-UHFFFAOYSA-N -1 0 334.376 2.728 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647586 1292263124 /nfs/dbraw/zinc/26/31/24/1292263124.db2.gz AIBTXWIRFSELIF-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2cc(C#N)ccc2F)o1 ZINC001190647855 1292263506 /nfs/dbraw/zinc/26/35/06/1292263506.db2.gz KWYXDIGIPSJYJK-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM Cc1nn(C)c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc12 ZINC001190650388 1292264489 /nfs/dbraw/zinc/26/44/89/1292264489.db2.gz FCFIHWRJBNBYTR-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM COc1cccc(OC)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648415 1292264705 /nfs/dbraw/zinc/26/47/05/1292264705.db2.gz OQPRNSKNPJLIPO-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190656289 1292268560 /nfs/dbraw/zinc/26/85/60/1292268560.db2.gz ZBVLFTVPPRWGPH-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(CO)c2)c1 ZINC001190656048 1292268849 /nfs/dbraw/zinc/26/88/49/1292268849.db2.gz RNBPHKMZGBXLKM-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3nnsc32)c1 ZINC001190655715 1292269459 /nfs/dbraw/zinc/26/94/59/1292269459.db2.gz LTGUEYZUUVLPKD-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2sc3c(c2C(=O)OC)CCC3)CC1 ZINC001190765801 1292305155 /nfs/dbraw/zinc/30/51/55/1292305155.db2.gz GWQAPCLRQAGQIG-UHFFFAOYSA-N -1 0 341.454 2.874 20 30 EFEDRM N#Cc1ccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c(O)c1 ZINC001233383242 1312917667 /nfs/dbraw/zinc/91/76/67/1312917667.db2.gz BOVQBUJCXGZMHD-SFHVURJKSA-N -1 0 336.391 2.972 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cccc(F)c2OCCOC)CC1 ZINC001190815512 1292325131 /nfs/dbraw/zinc/32/51/31/1292325131.db2.gz OWEJUFBEQNOSDS-UHFFFAOYSA-N -1 0 329.393 2.701 20 30 EFEDRM C=CCC1(S(=O)(=O)Nc2c(C)c(=O)[n-]n2-c2ccccc2)CC1 ZINC001190844763 1292339542 /nfs/dbraw/zinc/33/95/42/1292339542.db2.gz GYIXHAMWCNKEIO-UHFFFAOYSA-N -1 0 333.413 2.737 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)OCC)CC1 ZINC001190814540 1292345949 /nfs/dbraw/zinc/34/59/49/1292345949.db2.gz GQXWSOHPVRNMJV-UHFFFAOYSA-N -1 0 345.367 2.992 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3ccccn3n2)c1 ZINC001190942245 1292380659 /nfs/dbraw/zinc/38/06/59/1292380659.db2.gz ARQKTHAXEHRVSE-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cn1cc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2n1 ZINC001190969867 1292404337 /nfs/dbraw/zinc/40/43/37/1292404337.db2.gz PCMUJTMNMCTWKT-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1ncc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c21 ZINC001190969679 1292404609 /nfs/dbraw/zinc/40/46/09/1292404609.db2.gz HVVCWCBKJPTKJI-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cncnc3c2)c1 ZINC001190972567 1292406784 /nfs/dbraw/zinc/40/67/84/1292406784.db2.gz DEJCAUWQRCTGIA-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)C3)c1 ZINC001190985887 1292412527 /nfs/dbraw/zinc/41/25/27/1292412527.db2.gz IWFBLFYSYKCRDS-UHFFFAOYSA-N -1 0 346.795 2.680 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)C(F)(F)F)c1 ZINC001190986173 1292413817 /nfs/dbraw/zinc/41/38/17/1292413817.db2.gz RZVCQEFUYLAAMS-UHFFFAOYSA-N -1 0 348.680 2.688 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)cnc2C#N)c1 ZINC001191153182 1292480882 /nfs/dbraw/zinc/48/08/82/1292480882.db2.gz IEZBTSYVBXBWHH-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)cc1 ZINC001191401817 1292527049 /nfs/dbraw/zinc/52/70/49/1292527049.db2.gz UGRRZIWYWWXDAD-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM N#CCCN(CCC#N)C(=O)c1ccccc1C(=O)c1ccc(O)cc1 ZINC001191496687 1292546970 /nfs/dbraw/zinc/54/69/70/1292546970.db2.gz LGOOYASDEALQFG-UHFFFAOYSA-N -1 0 347.374 2.893 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC001191651615 1292604503 /nfs/dbraw/zinc/60/45/03/1292604503.db2.gz DMVTYRXZZGMLKN-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM Cc1[nH]c(NC(=O)c2nc(Br)ccc2[O-])c(C#N)c1C ZINC001191734778 1292645292 /nfs/dbraw/zinc/64/52/92/1292645292.db2.gz ZJFXPIDEOPROCP-UHFFFAOYSA-N -1 0 335.161 2.619 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001191834336 1292686671 /nfs/dbraw/zinc/68/66/71/1292686671.db2.gz MRCBUQGLUNZPII-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000903615800 1312946602 /nfs/dbraw/zinc/94/66/02/1312946602.db2.gz NFWHFQAZUWBSOQ-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192040942 1292757805 /nfs/dbraw/zinc/75/78/05/1292757805.db2.gz PBIVNWRQWILEQW-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1C#N ZINC001192034048 1292755743 /nfs/dbraw/zinc/75/57/43/1292755743.db2.gz AJDRMBMOXHPYOS-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192035125 1292755771 /nfs/dbraw/zinc/75/57/71/1292755771.db2.gz ORIZTRPWVQXSHJ-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)ccc1F ZINC001192039930 1292757439 /nfs/dbraw/zinc/75/74/39/1292757439.db2.gz AKPRIJRFPTUHLU-UHFFFAOYSA-N -1 0 331.583 2.961 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC000903618656 1312951811 /nfs/dbraw/zinc/95/18/11/1312951811.db2.gz ODSKUVKWFWDZTC-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3sccc3C#N)c2)o1 ZINC001192230188 1292842736 /nfs/dbraw/zinc/84/27/36/1292842736.db2.gz UYGBJNGDECJOHZ-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)cnc1Cl ZINC001192576690 1292928537 /nfs/dbraw/zinc/92/85/37/1292928537.db2.gz RTDWSGKEZMDQEV-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM C#Cc1ccc(NS(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1 ZINC001192647861 1292953745 /nfs/dbraw/zinc/95/37/45/1292953745.db2.gz BBSNCOBHOOTECQ-UHFFFAOYSA-N -1 0 345.376 2.566 20 30 EFEDRM CSc1nc(Cl)c(C(=O)[N-]c2oc(C)nc2C#N)c(Cl)n1 ZINC001192618389 1292960023 /nfs/dbraw/zinc/96/00/23/1292960023.db2.gz MAXVDHZFTCFQIY-UHFFFAOYSA-N -1 0 344.183 2.926 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000129130569 1292960796 /nfs/dbraw/zinc/96/07/96/1292960796.db2.gz XJYKJQZKTCWWFB-NSHDSACASA-N -1 0 335.406 2.727 20 30 EFEDRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000129294365 1293038509 /nfs/dbraw/zinc/03/85/09/1293038509.db2.gz BFQGIYFXLQEVEG-ZIAGYGMSSA-N -1 0 346.433 2.537 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c1 ZINC001192805840 1293056324 /nfs/dbraw/zinc/05/63/24/1293056324.db2.gz RFOYUYIADSKGNN-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1cc(F)c([O-])cc1F ZINC001192852637 1293080390 /nfs/dbraw/zinc/08/03/90/1293080390.db2.gz ILSAUGDYZMUFDT-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897709 1293092223 /nfs/dbraw/zinc/09/22/23/1293092223.db2.gz UMGKTLWHRRURJN-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cnccc2Cl)ccc1F ZINC001192902688 1293094259 /nfs/dbraw/zinc/09/42/59/1293094259.db2.gz MFIQYWNXBREORS-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)CC#N)c1NC(=O)OC(C)(C)C ZINC001192985857 1293117268 /nfs/dbraw/zinc/11/72/68/1293117268.db2.gz PMARDAULDOKTHD-UHFFFAOYSA-N -1 0 325.390 2.607 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(OCC2CC2)cc(C(F)(F)F)c1 ZINC001192986297 1293118647 /nfs/dbraw/zinc/11/86/47/1293118647.db2.gz WIIRMOXEQHODLL-UHFFFAOYSA-N -1 0 334.319 2.759 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)CC#N)c(NC(=O)OC(C)(C)C)c1 ZINC001192987958 1293118872 /nfs/dbraw/zinc/11/88/72/1293118872.db2.gz GDCXBFMMCRNPID-UHFFFAOYSA-N -1 0 325.390 2.607 20 30 EFEDRM CCOC(=O)c1c2ccccc2sc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193104187 1293170737 /nfs/dbraw/zinc/17/07/37/1293170737.db2.gz GJCSKIOGGMZHIE-SECBINFHSA-N -1 0 338.410 2.732 20 30 EFEDRM CCOC(=O)c1cc(C(C)C)sc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193105194 1293171280 /nfs/dbraw/zinc/17/12/80/1293171280.db2.gz SBNQUFFMWCTYJZ-VIFPVBQESA-N -1 0 330.431 2.702 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1nc2cccc(Br)c2s1 ZINC001193105960 1293171439 /nfs/dbraw/zinc/17/14/39/1293171439.db2.gz HRJFUTNHJRNJQN-LURJTMIESA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc2ccc(Br)cc2cn1 ZINC001193105867 1293171895 /nfs/dbraw/zinc/17/18/95/1293171895.db2.gz FTOAMJBBMYWFKO-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2c(Br)cccc2c1 ZINC001193106461 1293171928 /nfs/dbraw/zinc/17/19/28/1293171928.db2.gz GBFHKUGYPICLNG-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccn2cc(-c3ccccc3)nc2c1 ZINC001193111656 1293173356 /nfs/dbraw/zinc/17/33/56/1293173356.db2.gz KBBMMVVKMRDBMU-LBPRGKRZSA-N -1 0 326.381 2.655 20 30 EFEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193094247 1293179854 /nfs/dbraw/zinc/17/98/54/1293179854.db2.gz XDHSCNABSKZQSC-UHFFFAOYSA-N -1 0 341.154 2.533 20 30 EFEDRM N#Cc1cc(N)c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc1C#N ZINC001193092844 1293180055 /nfs/dbraw/zinc/18/00/55/1293180055.db2.gz DALZOVDZKLWJQV-UHFFFAOYSA-N -1 0 348.149 2.672 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2ncc(Br)cc12 ZINC001193148786 1293186162 /nfs/dbraw/zinc/18/61/62/1293186162.db2.gz FDUQPWCVTRXDFC-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c2ccncc12 ZINC001193151904 1293187307 /nfs/dbraw/zinc/18/73/07/1293187307.db2.gz WNMWGWSOHMPBNV-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)C(F)(F)F ZINC001193150256 1293187521 /nfs/dbraw/zinc/18/75/21/1293187521.db2.gz DGUUHUCGNQYBMV-LURJTMIESA-N -1 0 340.710 2.739 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(NC(=O)OC(C)(C)C)c1 ZINC001193160257 1293189790 /nfs/dbraw/zinc/18/97/90/1293189790.db2.gz AVGVQCTXPMPNNM-NSHDSACASA-N -1 0 339.417 2.996 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1NC(=O)OC(C)(C)C ZINC001193158939 1293190019 /nfs/dbraw/zinc/19/00/19/1293190019.db2.gz WQCIQEGSCNKLDA-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM CC(=O)c1cc(Br)c(C)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193160247 1293190063 /nfs/dbraw/zinc/19/00/63/1293190063.db2.gz AOZOXEVKRMFHKB-QMMMGPOBSA-N -1 0 345.218 2.614 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2sc(C(F)(F)F)nc2c1 ZINC001193159033 1293190334 /nfs/dbraw/zinc/19/03/34/1293190334.db2.gz YYYJABTUSNEOCL-ZCFIWIBFSA-N -1 0 335.332 2.969 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(Br)cncc2c1 ZINC001193159054 1293190372 /nfs/dbraw/zinc/19/03/72/1293190372.db2.gz ZOCNYZQZIJBHBV-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(Cl)c1 ZINC001193307362 1293247570 /nfs/dbraw/zinc/24/75/70/1293247570.db2.gz DKUWRHQPRSWEMY-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)C3CCC3)cc2[n-]c1=S ZINC000130064254 1293310698 /nfs/dbraw/zinc/31/06/98/1293310698.db2.gz BVZWSWRLFORHNY-LLVKDONJSA-N -1 0 343.452 2.790 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000130126693 1293323271 /nfs/dbraw/zinc/32/32/71/1293323271.db2.gz UAGPCGNQFJRMBB-KRXBUXKQSA-N -1 0 327.292 2.983 20 30 EFEDRM CC(C)(C)c1cnn2cc(NC(=O)c3ccc([O-])c(C#N)c3)cnc12 ZINC001193498129 1293325789 /nfs/dbraw/zinc/32/57/89/1293325789.db2.gz HNUOMHFGCOAPBE-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CC2CCC2)c(OC(F)(F)F)c1 ZINC001193507145 1293336279 /nfs/dbraw/zinc/33/62/79/1293336279.db2.gz POXHUXMXRITUDG-UHFFFAOYSA-N -1 0 334.319 2.999 20 30 EFEDRM CN(CCCCNC(=O)c1ccc([O-])c(C#N)c1)C(=O)OC(C)(C)C ZINC001193511457 1293339452 /nfs/dbraw/zinc/33/94/52/1293339452.db2.gz BGYRDEBLPNFBIR-UHFFFAOYSA-N -1 0 347.415 2.641 20 30 EFEDRM COc1cccc2c1SC[C@H](NC(=O)c1ccc([O-])c(C#N)c1)C2 ZINC001193519169 1293343289 /nfs/dbraw/zinc/34/32/89/1293343289.db2.gz SJDSPQULKNCYEQ-CQSZACIVSA-N -1 0 340.404 2.719 20 30 EFEDRM O=S(=O)(CC1CCC1)[N-]CC(F)(F)C(F)(F)C(F)(F)F ZINC001193525221 1293346463 /nfs/dbraw/zinc/34/64/63/1293346463.db2.gz LBMPCYYZKGXQTG-UHFFFAOYSA-N -1 0 331.253 2.539 20 30 EFEDRM Cc1nc(Br)ccc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193634888 1293377355 /nfs/dbraw/zinc/37/73/55/1293377355.db2.gz KZZANFMNOYFCLR-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COc1ccc(-c2ccccn2)nc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193634670 1293378188 /nfs/dbraw/zinc/37/81/88/1293378188.db2.gz FTTPUMVFCGGKEM-UHFFFAOYSA-N -1 0 346.346 2.982 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1 ZINC001193635988 1293378341 /nfs/dbraw/zinc/37/83/41/1293378341.db2.gz IIAVZPZJOLAFLP-UHFFFAOYSA-N -1 0 335.410 2.702 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2nccc3ccccc32)c1 ZINC001193636193 1293378625 /nfs/dbraw/zinc/37/86/25/1293378625.db2.gz MOEMRMBYGNPNMF-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001193636079 1293378722 /nfs/dbraw/zinc/37/87/22/1293378722.db2.gz KAWUMIAZJDYRGQ-UHFFFAOYSA-N -1 0 333.394 2.609 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC001193636687 1293379853 /nfs/dbraw/zinc/37/98/53/1293379853.db2.gz XOLAXVGCHBUDEX-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncc(Cl)cc2F)c1 ZINC001193640967 1293380111 /nfs/dbraw/zinc/38/01/11/1293380111.db2.gz PTDJDTJKDYHKGN-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cccc(C#N)c1[O-] ZINC001193642802 1293380849 /nfs/dbraw/zinc/38/08/49/1293380849.db2.gz QDVOIBAITOQKQI-UHFFFAOYSA-N -1 0 335.285 2.950 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)nn2C(C)(C)C)c1 ZINC001193641004 1293383017 /nfs/dbraw/zinc/38/30/17/1293383017.db2.gz QAKUIZLRVRBZBW-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1cccc(C#N)c1[O-] ZINC001193646216 1293390324 /nfs/dbraw/zinc/39/03/24/1293390324.db2.gz FCVVPCONUXPYSS-UHFFFAOYSA-N -1 0 332.363 2.722 20 30 EFEDRM Cn1ccnc1S(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC001193603976 1293391227 /nfs/dbraw/zinc/39/12/27/1293391227.db2.gz KKNOKASSFZIDKB-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM CC(C)CNC(=O)c1cccc(NC(=O)c2cccc(C#N)c2[O-])c1 ZINC001193652289 1293395303 /nfs/dbraw/zinc/39/53/03/1293395303.db2.gz CAXONTNVQBKLAA-UHFFFAOYSA-N -1 0 337.379 2.902 20 30 EFEDRM CN(C)C(=O)Oc1cccc(NC(=O)c2cccc(C#N)c2[O-])c1 ZINC001193652375 1293396447 /nfs/dbraw/zinc/39/64/47/1293396447.db2.gz GJYMKCNOIALCSG-UHFFFAOYSA-N -1 0 325.324 2.577 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)c1 ZINC001193655025 1293397648 /nfs/dbraw/zinc/39/76/48/1293397648.db2.gz GFZBEGRLMIWQFJ-UHFFFAOYSA-N -1 0 339.323 2.700 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC001193655335 1293397809 /nfs/dbraw/zinc/39/78/09/1293397809.db2.gz PEZBWUKFGFZAHY-UHFFFAOYSA-N -1 0 337.426 2.948 20 30 EFEDRM N#Cc1cccc(C(=O)NCCc2ccc(C(F)(F)F)nc2)c1[O-] ZINC001193653202 1293397995 /nfs/dbraw/zinc/39/79/95/1293397995.db2.gz UYMZDVJOHWBXHF-UHFFFAOYSA-N -1 0 335.285 2.650 20 30 EFEDRM CCc1ccc(OC)c([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c1 ZINC001193687372 1293409993 /nfs/dbraw/zinc/40/99/93/1293409993.db2.gz AYIJKBVEHWBYRI-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2ccc(F)c([O-])c2F)c1 ZINC001193789954 1293432255 /nfs/dbraw/zinc/43/22/55/1293432255.db2.gz YWGXJWAITCIKRF-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1F ZINC001194093412 1293530264 /nfs/dbraw/zinc/53/02/64/1293530264.db2.gz WCCVTYAXLYBIFM-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1C#N ZINC001194099636 1293531925 /nfs/dbraw/zinc/53/19/25/1293531925.db2.gz UIBXNOXLAGHDSS-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194145304 1293533788 /nfs/dbraw/zinc/53/37/88/1293533788.db2.gz FGIMJRWSQAJVLR-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cn1[n-]c(C(=O)NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1=O ZINC001194211760 1293555483 /nfs/dbraw/zinc/55/54/83/1293555483.db2.gz FRKKTCYWAFPXPU-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(C#N)cnc1C ZINC001194260940 1293573499 /nfs/dbraw/zinc/57/34/99/1293573499.db2.gz QIWSDRPEAUCLMA-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)ccn1 ZINC001194410552 1293624143 /nfs/dbraw/zinc/62/41/43/1293624143.db2.gz DOOVZVDGVMCISU-UHFFFAOYSA-N -1 0 343.795 2.983 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194562148 1293668924 /nfs/dbraw/zinc/66/89/24/1293668924.db2.gz OKUUZZKUABOFBK-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194561837 1293669280 /nfs/dbraw/zinc/66/92/80/1293669280.db2.gz JRXNQEHYKMOYIZ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(C#N)c2ccccc12 ZINC001194667738 1293693670 /nfs/dbraw/zinc/69/36/70/1293693670.db2.gz JYCCKQFSVYLAOV-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)cc(C(=O)[O-])c1F ZINC000132994663 1293739960 /nfs/dbraw/zinc/73/99/60/1293739960.db2.gz YWCKLEJLCGNUHY-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc(C(=O)[O-])c1F ZINC000133030599 1293753231 /nfs/dbraw/zinc/75/32/31/1293753231.db2.gz TVVYOZKSNIFBIT-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195080473 1293795258 /nfs/dbraw/zinc/79/52/58/1293795258.db2.gz GHDXYUQPFPRMIZ-UHFFFAOYSA-N -1 0 330.457 2.786 20 30 EFEDRM C=CCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195224046 1293855933 /nfs/dbraw/zinc/85/59/33/1293855933.db2.gz SUOQSLAQEGUOTO-UHFFFAOYSA-N -1 0 333.356 2.640 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(OC)nc2)cc(CC)c1C#N ZINC001195726053 1294002382 /nfs/dbraw/zinc/00/23/82/1294002382.db2.gz ZHCYYAVXUFMNKE-UHFFFAOYSA-N -1 0 345.424 2.887 20 30 EFEDRM C[C@@H]1CN(C(=O)c2ccc(C#N)cc2[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001195733575 1294004220 /nfs/dbraw/zinc/00/42/20/1294004220.db2.gz RIDBBVIDQUNVKH-CVEARBPZSA-N -1 0 349.434 2.999 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c([O-])c1 ZINC001195733610 1294004293 /nfs/dbraw/zinc/00/42/93/1294004293.db2.gz SZYGRXOKIIOQOY-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2C#N)cn1 ZINC001195731708 1294004592 /nfs/dbraw/zinc/00/45/92/1294004592.db2.gz KYDFOYNRCCKPFD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(-c2cc(NC(=O)c3ccc(C#N)cc3[O-])n(C)n2)cc1 ZINC001195733378 1294004658 /nfs/dbraw/zinc/00/46/58/1294004658.db2.gz MQXDQCMWEPJDFF-UHFFFAOYSA-N -1 0 348.362 2.925 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnn2)c([O-])c1 ZINC001195768663 1294019325 /nfs/dbraw/zinc/01/93/25/1294019325.db2.gz OXXOCGJURNCNFR-GOSISDBHSA-N -1 0 330.347 2.573 20 30 EFEDRM COc1ccccc1-n1nccc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195740633 1294025306 /nfs/dbraw/zinc/02/53/06/1294025306.db2.gz IHPGZOIIHHTLPB-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCn3cc(-c4ccccc4)nc3C2)c([O-])c1 ZINC001195751961 1294028892 /nfs/dbraw/zinc/02/88/92/1294028892.db2.gz ZYBGHTRLOLSIFU-UHFFFAOYSA-N -1 0 344.374 2.783 20 30 EFEDRM COc1ncc(C(=O)Nc2ccc(O)c(C#N)c2)cc1Br ZINC001195838684 1294056298 /nfs/dbraw/zinc/05/62/98/1294056298.db2.gz AMIFRVXQRKNSFW-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196118174 1294146466 /nfs/dbraw/zinc/14/64/66/1294146466.db2.gz CHMSXGCJCCMTPZ-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])s1 ZINC001273718630 1294204633 /nfs/dbraw/zinc/20/46/33/1294204633.db2.gz HAZLCAGLGPYIBN-QGZVFWFLSA-N -1 0 334.441 2.589 20 30 EFEDRM N#Cc1ncc(NC(=O)c2cc(Cl)ncc2[O-])cc1C(F)(F)F ZINC001196387009 1294220732 /nfs/dbraw/zinc/22/07/32/1294220732.db2.gz GQOMXZVRYJHPFA-UHFFFAOYSA-N -1 0 342.664 2.978 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196411595 1294237670 /nfs/dbraw/zinc/23/76/70/1294237670.db2.gz AQKFAUYBBMDVEH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414111 1294239120 /nfs/dbraw/zinc/23/91/20/1294239120.db2.gz JKHXURMCRJSJOX-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1C#N ZINC001196416461 1294240812 /nfs/dbraw/zinc/24/08/12/1294240812.db2.gz JXWOPAKIJGMYOI-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1cccnc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001196558334 1294289335 /nfs/dbraw/zinc/28/93/35/1294289335.db2.gz FYYSPQFKCRHDEE-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2c(s1)CCC2 ZINC001196643701 1294302505 /nfs/dbraw/zinc/30/25/05/1294302505.db2.gz PSEOQMRBACHJOX-UHFFFAOYSA-N -1 0 339.829 2.958 20 30 EFEDRM Cn1cc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)cc2n1 ZINC001196679983 1294313875 /nfs/dbraw/zinc/31/38/75/1294313875.db2.gz SLVOPCSGVBNCKR-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2cnncc21 ZINC001196679681 1294314149 /nfs/dbraw/zinc/31/41/49/1294314149.db2.gz GPEYAWCLPLLFLF-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cn1ncc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)c21 ZINC001196679668 1294314677 /nfs/dbraw/zinc/31/46/77/1294314677.db2.gz FZEPCPBDDOLDOZ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1CC1CC1 ZINC001196650468 1294319313 /nfs/dbraw/zinc/31/93/13/1294319313.db2.gz MIPVFQFZNROTPD-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(F)c(F)c1 ZINC001196652096 1294320983 /nfs/dbraw/zinc/32/09/83/1294320983.db2.gz SVSZFORYOCIQFW-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c1 ZINC001196722470 1294342277 /nfs/dbraw/zinc/34/22/77/1294342277.db2.gz IDSJWBBPUGBAHN-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1CO ZINC001196690342 1294346248 /nfs/dbraw/zinc/34/62/48/1294346248.db2.gz MTCXHDDEJAMBEF-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196690023 1294346556 /nfs/dbraw/zinc/34/65/56/1294346556.db2.gz IBWPDZKOAHIOBD-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196690922 1294346759 /nfs/dbraw/zinc/34/67/59/1294346759.db2.gz WEOKWAGPCHSPHJ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001196763767 1294350850 /nfs/dbraw/zinc/35/08/50/1294350850.db2.gz CYQPETPKWHUCKE-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COC(=O)c1ccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001196763894 1294351286 /nfs/dbraw/zinc/35/12/86/1294351286.db2.gz MOGZPPZVUZXMGL-UHFFFAOYSA-N -1 0 345.355 2.998 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc2c(n1)CC[C@H](C)C2 ZINC000903688786 1313070862 /nfs/dbraw/zinc/07/08/62/1313070862.db2.gz FIASBONYBCJYIS-NSHDSACASA-N -1 0 342.424 2.582 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc2c(n1)CC[C@@H](C)C2 ZINC000903688784 1313070721 /nfs/dbraw/zinc/07/07/21/1313070721.db2.gz FIASBONYBCJYIS-LLVKDONJSA-N -1 0 342.424 2.582 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000775747662 1294412430 /nfs/dbraw/zinc/41/24/30/1294412430.db2.gz WNPIJTANQCYKRI-JTQLQIEISA-N -1 0 346.836 2.545 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCOC3(CCC3)C2)n1 ZINC000885660810 1294464551 /nfs/dbraw/zinc/46/45/51/1294464551.db2.gz LHSJJHBPXFIRKA-QWHCGFSZSA-N -1 0 348.424 2.520 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(SC)ccc1C ZINC001234237840 1313087049 /nfs/dbraw/zinc/08/70/49/1313087049.db2.gz GAUXQMYRHCAWSC-LBPRGKRZSA-N -1 0 332.443 2.555 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136661838 1294681011 /nfs/dbraw/zinc/68/10/11/1294681011.db2.gz BOKYHSDMLFNBRM-QGZVFWFLSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197725414 1294695587 /nfs/dbraw/zinc/69/55/87/1294695587.db2.gz AHUFVPQBRLKERB-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c1 ZINC001198004721 1294826597 /nfs/dbraw/zinc/82/65/97/1294826597.db2.gz QFDAURHEMIIVSC-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM C=C[C@H](CCCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234353261 1313111797 /nfs/dbraw/zinc/11/17/97/1313111797.db2.gz WBUMMEDAFNFICN-SNVBAGLBSA-N -1 0 325.361 2.807 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153663 1294914560 /nfs/dbraw/zinc/91/45/60/1294914560.db2.gz QERJPZLYCHGFAF-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153364 1294914705 /nfs/dbraw/zinc/91/47/05/1294914705.db2.gz LTWUBLIQBMLQGT-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c2cccnc12 ZINC001198242910 1294952799 /nfs/dbraw/zinc/95/27/99/1294952799.db2.gz WDPUZIAYSYHPCU-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)n1C ZINC001198355642 1295028107 /nfs/dbraw/zinc/02/81/07/1295028107.db2.gz FAKOSQREGVORMB-UHFFFAOYSA-N -1 0 332.410 2.616 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cccc(CCN2CCOCC2)c1 ZINC001204342277 1313126339 /nfs/dbraw/zinc/12/63/39/1313126339.db2.gz CXCATUZGODEKEQ-UHFFFAOYSA-N -1 0 329.425 2.944 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC001198693982 1295180238 /nfs/dbraw/zinc/18/02/38/1295180238.db2.gz YWCIRXVHCKWZAV-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC000886910522 1295207973 /nfs/dbraw/zinc/20/79/73/1295207973.db2.gz RXIXCKZDSSDBOG-OCCSQVGLSA-N -1 0 338.367 2.688 20 30 EFEDRM CC/C=C\CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511636 1313141970 /nfs/dbraw/zinc/14/19/70/1313141970.db2.gz SUKGKLWIJKHXEY-RXNFCKPNSA-N -1 0 341.367 2.874 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)c(C)c1 ZINC001198943240 1295332593 /nfs/dbraw/zinc/33/25/93/1295332593.db2.gz AWABZQCFZZYVKY-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)c(C)c1 ZINC001198950105 1295382991 /nfs/dbraw/zinc/38/29/91/1295382991.db2.gz FYONKANFCSTYGQ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1noc(Cl)c1C ZINC001199670793 1295665225 /nfs/dbraw/zinc/66/52/25/1295665225.db2.gz JEQRCEZFJKLYTM-UHFFFAOYSA-N -1 0 325.733 2.609 20 30 EFEDRM O=C(/C=C\c1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097437049 1295696492 /nfs/dbraw/zinc/69/64/92/1295696492.db2.gz HHOODMSZEWJBGK-RJRFIUFISA-N -1 0 327.292 2.968 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000097465353 1295706255 /nfs/dbraw/zinc/70/62/55/1295706255.db2.gz WSNYTKGZLMXLEV-SNVBAGLBSA-N -1 0 338.212 2.924 20 30 EFEDRM N#Cc1cccc(O)c1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC001199729598 1295711325 /nfs/dbraw/zinc/71/13/25/1295711325.db2.gz DURGGTGDUCFNJW-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM C=CCSc1ncccc1C(=O)Nc1nc[nH]c1C(=O)OCC ZINC001199737100 1295714916 /nfs/dbraw/zinc/71/49/16/1295714916.db2.gz XRJZNFAZOBYXCI-UHFFFAOYSA-N -1 0 332.385 2.512 20 30 EFEDRM COc1cc(OC)cc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1 ZINC001204644713 1313176254 /nfs/dbraw/zinc/17/62/54/1313176254.db2.gz USODVZRLMSVWSM-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234821529 1313194484 /nfs/dbraw/zinc/19/44/84/1313194484.db2.gz GLVUAWIWXULCIT-UKRRQHHQSA-N -1 0 331.372 2.633 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C)c(Cl)c1C ZINC001234946386 1313211011 /nfs/dbraw/zinc/21/10/11/1313211011.db2.gz XDXUPDDZCSXNGQ-LBPRGKRZSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000776095935 1296286181 /nfs/dbraw/zinc/28/61/81/1296286181.db2.gz FFNLBTXXFDHNSH-UHFFFAOYSA-N -1 0 343.420 2.702 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000776119093 1296479295 /nfs/dbraw/zinc/47/92/95/1296479295.db2.gz CGOHCBIUBHUUML-UHFFFAOYSA-N -1 0 342.420 2.646 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1c(Cl)cccc1Cl ZINC000776122600 1296490250 /nfs/dbraw/zinc/49/02/50/1296490250.db2.gz SGRUBGXPFVQTQD-VIFPVBQESA-N -1 0 349.239 2.847 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)o1 ZINC000105755780 1296502446 /nfs/dbraw/zinc/50/24/46/1296502446.db2.gz PUOZQDCAIQDOTO-SECBINFHSA-N -1 0 327.178 2.671 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C)cc1Cl ZINC000105758127 1296504093 /nfs/dbraw/zinc/50/40/93/1296504093.db2.gz JLGYOGYGPCJEKF-JTQLQIEISA-N -1 0 333.731 2.606 20 30 EFEDRM C[C@@H](Cc1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143577 1296648699 /nfs/dbraw/zinc/64/86/99/1296648699.db2.gz IGTBWECBOVWNCY-NSHDSACASA-N -1 0 342.848 2.514 20 30 EFEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143646 1296651140 /nfs/dbraw/zinc/65/11/40/1296651140.db2.gz ROZHFTCJOXNCTA-CQSZACIVSA-N -1 0 328.478 2.979 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)ccn1 ZINC001201248322 1296657987 /nfs/dbraw/zinc/65/79/87/1296657987.db2.gz ZZWHBICBCLRYGV-UHFFFAOYSA-N -1 0 346.170 2.622 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)cc1C#N ZINC001201292996 1296694167 /nfs/dbraw/zinc/69/41/67/1296694167.db2.gz PIVYJPXWTKJAGK-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1C#N ZINC001201295400 1296708480 /nfs/dbraw/zinc/70/84/80/1296708480.db2.gz QGGUGWIEVPWDCU-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1C#N ZINC001201294832 1296708945 /nfs/dbraw/zinc/70/89/45/1296708945.db2.gz FCCKRHRFYRNOQG-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1Cl ZINC001201295772 1296710509 /nfs/dbraw/zinc/71/05/09/1296710509.db2.gz ZMLXBPVPRAKIPI-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295759 1296711048 /nfs/dbraw/zinc/71/10/48/1296711048.db2.gz YUVSTAMRCYJDGH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317652 1296723428 /nfs/dbraw/zinc/72/34/28/1296723428.db2.gz YRDFZNYBXHZZAU-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)ccc1C#N ZINC001201320325 1296725030 /nfs/dbraw/zinc/72/50/30/1296725030.db2.gz WLYOXAJEWZBZDQ-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COCc1ccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201320236 1296725397 /nfs/dbraw/zinc/72/53/97/1296725397.db2.gz SIAKMUGFXQJPOU-UHFFFAOYSA-N -1 0 334.372 2.953 20 30 EFEDRM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000777521936 1296760775 /nfs/dbraw/zinc/76/07/75/1296760775.db2.gz KVQINKVJVXHBLR-SECBINFHSA-N -1 0 341.758 2.654 20 30 EFEDRM COC(=O)c1ccccc1N=NC(C)c1ccc(CC(=O)[O-])cc1 ZINC000776189706 1296829630 /nfs/dbraw/zinc/82/96/30/1296829630.db2.gz PHOQKPFHEREOQH-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001201764264 1297059383 /nfs/dbraw/zinc/05/93/83/1297059383.db2.gz QQXWRYYASXHQPW-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792952 1297079225 /nfs/dbraw/zinc/07/92/25/1297079225.db2.gz WXDUDKFTEVOJAG-UHFFFAOYSA-N -1 0 344.440 3.000 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-]c1oncc1C(N)=O ZINC001201834062 1297120293 /nfs/dbraw/zinc/12/02/93/1297120293.db2.gz KCZUYMUJJUYWOH-UHFFFAOYSA-N -1 0 331.438 2.656 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](COC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000929044483 1297154244 /nfs/dbraw/zinc/15/42/44/1297154244.db2.gz HPZGISMXFALIPU-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@](CC)(COC)C(=O)[O-])c1ccccc1 ZINC000929044951 1297154444 /nfs/dbraw/zinc/15/44/44/1297154444.db2.gz PSKZSQQDFUOBQM-QAPCUYQASA-N -1 0 334.416 2.873 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2nc(C(C)C)oc2C)n1 ZINC000803911857 1313352610 /nfs/dbraw/zinc/35/26/10/1313352610.db2.gz YNASEWHVAHCCDQ-NSHDSACASA-N -1 0 347.396 2.905 20 30 EFEDRM C=CC[C@H]1N(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CCCC1(C)C ZINC000935675387 1297652532 /nfs/dbraw/zinc/65/25/32/1297652532.db2.gz QPSVNLLRTFDVRV-MRXNPFEDSA-N -1 0 333.476 2.968 20 30 EFEDRM C=CC[C@@H]1N(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)CCCC1(C)C ZINC000935675386 1297653488 /nfs/dbraw/zinc/65/34/88/1297653488.db2.gz QPSVNLLRTFDVRV-INIZCTEOSA-N -1 0 333.476 2.968 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1Cl ZINC000042291327 1297696917 /nfs/dbraw/zinc/69/69/17/1297696917.db2.gz JEHAYRBGUKLGMO-UHFFFAOYSA-N -1 0 346.767 2.972 20 30 EFEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000042303231 1297699060 /nfs/dbraw/zinc/69/90/60/1297699060.db2.gz WXGOLRRCYCIMKO-UHFFFAOYSA-N -1 0 330.365 2.591 20 30 EFEDRM O=C(CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC000044012334 1297709749 /nfs/dbraw/zinc/70/97/49/1297709749.db2.gz WUCQIMKRXUJFKP-LICLKQGHSA-N -1 0 339.779 2.775 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2)cc1Cl ZINC000107022887 1297782940 /nfs/dbraw/zinc/78/29/40/1297782940.db2.gz HGTCPHAWCLOIIZ-RMKNXTFCSA-N -1 0 346.795 2.730 20 30 EFEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000776349241 1297927709 /nfs/dbraw/zinc/92/77/09/1297927709.db2.gz WGGSNTMOUKZAOB-LLVKDONJSA-N -1 0 345.399 2.705 20 30 EFEDRM COC(=O)c1cc(C#N)cnc1-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001236150993 1313447657 /nfs/dbraw/zinc/44/76/57/1313447657.db2.gz OHIPTHXDQAPKGC-UHFFFAOYSA-N -1 0 334.690 2.898 20 30 EFEDRM Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779313074 1298195752 /nfs/dbraw/zinc/19/57/52/1298195752.db2.gz JQPZJIZRRKQTIQ-UHFFFAOYSA-N -1 0 346.408 2.885 20 30 EFEDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCC2)s1 ZINC000079149723 1298361359 /nfs/dbraw/zinc/36/13/59/1298361359.db2.gz CHROFTMUMMRANM-UHFFFAOYSA-N -1 0 344.458 2.610 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(C)=O)c1 ZINC000193380203 1298432588 /nfs/dbraw/zinc/43/25/88/1298432588.db2.gz PYGBHJPHBVPPNK-OAHLLOKOSA-N -1 0 329.400 2.582 20 30 EFEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000193381665 1298432994 /nfs/dbraw/zinc/43/29/94/1298432994.db2.gz FXUDAXIJAFGUPB-GFCCVEGCSA-N -1 0 339.317 2.790 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000108250449 1298494275 /nfs/dbraw/zinc/49/42/75/1298494275.db2.gz CZVNVKCHFHMHJN-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM CC(C)(C)c1noc(CCCC(=O)[N-]S(=O)(=O)C2CCCC2)n1 ZINC000086054550 1299254811 /nfs/dbraw/zinc/25/48/11/1299254811.db2.gz CVZNAJSKYYWVIP-UHFFFAOYSA-N -1 0 343.449 2.919 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000086056202 1299256206 /nfs/dbraw/zinc/25/62/06/1299256206.db2.gz LQQFYGFPIKCZIH-UHFFFAOYSA-N -1 0 332.765 2.825 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(Cn2cccn2)cc1 ZINC000086055575 1299256279 /nfs/dbraw/zinc/25/62/79/1299256279.db2.gz PKAPDRXJHVHIQZ-UHFFFAOYSA-N -1 0 333.413 2.508 20 30 EFEDRM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055461 1299256896 /nfs/dbraw/zinc/25/68/96/1299256896.db2.gz MWYSJVANWPNVAY-UHFFFAOYSA-N -1 0 333.841 2.774 20 30 EFEDRM N#CC1(CS(=O)(=O)NCCCCCCCC(=O)[O-])CCCCC1 ZINC000776552238 1299457997 /nfs/dbraw/zinc/45/79/97/1299457997.db2.gz PGLFERHKRSOQSX-UHFFFAOYSA-N -1 0 344.477 2.805 20 30 EFEDRM CC(=NNc1nc(C)cc(=O)[nH]1)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000853254308 1300070139 /nfs/dbraw/zinc/07/01/39/1300070139.db2.gz QNMVRUWASSPSEC-UHFFFAOYSA-N -1 0 344.371 2.812 20 30 EFEDRM COc1ccnc(N=NC(C)c2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000853288837 1300076109 /nfs/dbraw/zinc/07/61/09/1300076109.db2.gz HUTGHGSITXFQMS-UHFFFAOYSA-N -1 0 344.371 2.807 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237624051 1313679244 /nfs/dbraw/zinc/67/92/44/1313679244.db2.gz WAKNBPJFGYRRAR-UHFFFAOYSA-N -1 0 328.771 2.625 20 30 EFEDRM CCOc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC000112484273 1300656136 /nfs/dbraw/zinc/65/61/36/1300656136.db2.gz XHNFBYHYHMTBGW-GFCCVEGCSA-N -1 0 335.791 2.515 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795303618 1300690894 /nfs/dbraw/zinc/69/08/94/1300690894.db2.gz QVTKTDOTLUAJHC-CQSZACIVSA-N -1 0 338.429 2.514 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795303616 1300691542 /nfs/dbraw/zinc/69/15/42/1300691542.db2.gz QVTKTDOTLUAJHC-AWEZNQCLSA-N -1 0 338.429 2.514 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)OCC ZINC000854851086 1300712315 /nfs/dbraw/zinc/71/23/15/1300712315.db2.gz NGOJRURFBAYYRC-LLVKDONJSA-N -1 0 334.397 2.744 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c1 ZINC000089490251 1300819227 /nfs/dbraw/zinc/81/92/27/1300819227.db2.gz UXMKLNOTGBFLBZ-UHFFFAOYSA-N -1 0 327.793 2.811 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC3)c1 ZINC000089490365 1300819507 /nfs/dbraw/zinc/81/95/07/1300819507.db2.gz OMAKMOAXPUVQDL-UHFFFAOYSA-N -1 0 333.413 2.646 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000245926481 1300820661 /nfs/dbraw/zinc/82/06/61/1300820661.db2.gz IRJUQWCZBALRLJ-BFHYXJOUSA-N -1 0 327.771 2.769 20 30 EFEDRM CC(=O)N1CCc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000254860400 1300858401 /nfs/dbraw/zinc/85/84/01/1300858401.db2.gz KZJAGSCNIGBCME-UHFFFAOYSA-N -1 0 325.324 2.960 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000856030938 1301210449 /nfs/dbraw/zinc/21/04/49/1301210449.db2.gz XNLIQMCXWGFYMH-VIFPVBQESA-N -1 0 331.199 2.736 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C2CCC2)C2CCC2)cc1 ZINC000860448366 1301809283 /nfs/dbraw/zinc/80/92/83/1301809283.db2.gz PIGLQQPKDOELQK-UHFFFAOYSA-N -1 0 346.452 2.970 20 30 EFEDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC ZINC000860520581 1301832816 /nfs/dbraw/zinc/83/28/16/1301832816.db2.gz FXKQGJLUMUIDEZ-UHFFFAOYSA-N -1 0 331.482 2.580 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000860630756 1301863013 /nfs/dbraw/zinc/86/30/13/1301863013.db2.gz BRQCEWVCSVLSEN-GFCCVEGCSA-N -1 0 346.246 2.575 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cn1 ZINC000860655547 1301871623 /nfs/dbraw/zinc/87/16/23/1301871623.db2.gz QKNSQTLZILFVPT-GFCCVEGCSA-N -1 0 339.355 2.709 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1)c1ccccc1 ZINC000860693063 1301887595 /nfs/dbraw/zinc/88/75/95/1301887595.db2.gz CLLSYITVMQQGQM-SJORKVTESA-N -1 0 336.395 2.808 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCC)c1cccc(Cl)c1 ZINC000860720953 1301898761 /nfs/dbraw/zinc/89/87/61/1301898761.db2.gz SPMBQHFRCBYWPB-CQSZACIVSA-N -1 0 327.833 2.693 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2coc3ccc(C)cc23)CC1 ZINC000860773266 1301916760 /nfs/dbraw/zinc/91/67/60/1301916760.db2.gz IUEHETFKFXEQBY-UHFFFAOYSA-N -1 0 333.409 2.838 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860871186 1301950160 /nfs/dbraw/zinc/95/01/60/1301950160.db2.gz XTINRXINPUUJJF-TZMCWYRMSA-N -1 0 338.429 2.745 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCCC1 ZINC000861015029 1301990165 /nfs/dbraw/zinc/99/01/65/1301990165.db2.gz ZHHKGPQTGIAZCE-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014505 1301990511 /nfs/dbraw/zinc/99/05/11/1301990511.db2.gz MVBFIPFYNAEVEL-INIZCTEOSA-N -1 0 340.420 2.860 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2CCCCC2)c(F)c1 ZINC000861012952 1301990702 /nfs/dbraw/zinc/99/07/02/1301990702.db2.gz OMQIUXBIPGXGRW-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013064 1301991199 /nfs/dbraw/zinc/99/11/99/1301991199.db2.gz CNFIDTVCMZWFPL-GFCCVEGCSA-N -1 0 340.420 2.716 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000863429291 1302611164 /nfs/dbraw/zinc/61/11/64/1302611164.db2.gz NIRUNBHROHFTNN-UHFFFAOYSA-N -1 0 329.418 2.642 20 30 EFEDRM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000119588180 1302683134 /nfs/dbraw/zinc/68/31/34/1302683134.db2.gz DBQKMQDWOKHFRS-INIZCTEOSA-N -1 0 329.400 2.640 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1-c1cccc(S(=O)(=O)[O-])n1 ZINC001238839595 1313876037 /nfs/dbraw/zinc/87/60/37/1313876037.db2.gz JNWATZLXXBKVAS-UHFFFAOYSA-N -1 0 328.271 2.886 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000091127435 1303030076 /nfs/dbraw/zinc/03/00/76/1303030076.db2.gz AWFYQSYCFFQLPJ-UHFFFAOYSA-N -1 0 349.412 2.768 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1-n1ccnn1 ZINC000794732437 1303033421 /nfs/dbraw/zinc/03/34/21/1303033421.db2.gz PXWVARANXQPSIC-VURMDHGXSA-N -1 0 336.307 2.777 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794715117 1303038102 /nfs/dbraw/zinc/03/81/02/1303038102.db2.gz URIFQQWQMSUEGD-BWNDKRECSA-N -1 0 344.319 2.814 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cn(C3CC3)cn2)cc1CC(=O)[O-] ZINC000865216540 1303190412 /nfs/dbraw/zinc/19/04/12/1303190412.db2.gz GQVAFOLTURFGMG-ZZXKWVIFSA-N -1 0 326.352 2.750 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cn(C3CC3)cn2)cc1CC(=O)[O-] ZINC000865216538 1303190416 /nfs/dbraw/zinc/19/04/16/1303190416.db2.gz GQVAFOLTURFGMG-UTCJRWHESA-N -1 0 326.352 2.750 20 30 EFEDRM O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1cc(Cl)ccc1[O-] ZINC000865220589 1303193537 /nfs/dbraw/zinc/19/35/37/1303193537.db2.gz MXXWRLXMMJMFCV-DIECRNLCSA-N -1 0 333.775 2.712 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)cc1C(C)(C)C ZINC000865225566 1303194834 /nfs/dbraw/zinc/19/48/34/1303194834.db2.gz GFAFOPBSIFPFJQ-ALCCZGGFSA-N -1 0 343.383 2.565 20 30 EFEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccc(Cl)cc1[O-] ZINC000865226289 1303195225 /nfs/dbraw/zinc/19/52/25/1303195225.db2.gz RYBMZWDSPSZSIO-AGLBCWCQSA-N -1 0 333.775 2.712 20 30 EFEDRM C=CCOC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000794847960 1303294031 /nfs/dbraw/zinc/29/40/31/1303294031.db2.gz KZEJZNXRERMSDX-KOSUEXCASA-N -1 0 332.183 2.862 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000794857712 1303368078 /nfs/dbraw/zinc/36/80/78/1303368078.db2.gz WPVIJLAQSSUPOR-UHFFFAOYSA-N -1 0 325.324 2.552 20 30 EFEDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411193 1313911612 /nfs/dbraw/zinc/91/16/12/1313911612.db2.gz LLYDWCLHJBZUSG-NSHDSACASA-N -1 0 333.388 2.705 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1-c1cccc(C)c1 ZINC000748410597 1313911879 /nfs/dbraw/zinc/91/18/79/1313911879.db2.gz MBOKHGXSGSYTAD-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410894 1313912187 /nfs/dbraw/zinc/91/21/87/1313912187.db2.gz SPLXDYNXOJWPBD-UHFFFAOYSA-N -1 0 337.379 2.998 20 30 EFEDRM COC(=O)c1cn(CC(=O)Nc2cc(C#N)ccc2[O-])c2ccccc12 ZINC000748410394 1313912256 /nfs/dbraw/zinc/91/22/56/1313912256.db2.gz KTHRCECBZYHPLI-UHFFFAOYSA-N -1 0 349.346 2.644 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)s1 ZINC000794937675 1303728533 /nfs/dbraw/zinc/72/85/33/1303728533.db2.gz IBKUOEMKLVZHGH-HNQUOIGGSA-N -1 0 329.333 2.673 20 30 EFEDRM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000794940981 1303744445 /nfs/dbraw/zinc/74/44/45/1303744445.db2.gz HIJOEMGUPXSZKE-IWQZZHSRSA-N -1 0 331.274 2.897 20 30 EFEDRM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC000748483498 1313941291 /nfs/dbraw/zinc/94/12/91/1313941291.db2.gz TUPDIJXSCRSWOV-VIFPVBQESA-N -1 0 346.289 2.726 20 30 EFEDRM C=CCN(CCOC)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867756168 1303940584 /nfs/dbraw/zinc/94/05/84/1303940584.db2.gz UCKDGDZDIMONGV-UHFFFAOYSA-N -1 0 332.169 2.568 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)ccc1F ZINC000122354592 1304535917 /nfs/dbraw/zinc/53/59/17/1304535917.db2.gz FEXSUKVTFMTSOO-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000122361046 1304562429 /nfs/dbraw/zinc/56/24/29/1304562429.db2.gz GGSRANCOPQPXOJ-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000122375232 1304573083 /nfs/dbraw/zinc/57/30/83/1304573083.db2.gz CACTVAIAQDFSDA-UHFFFAOYSA-N -1 0 349.318 2.540 20 30 EFEDRM C=CCN(C(=O)c1cc(Br)cc(F)c1[O-])[C@@H](C)COC ZINC000869237236 1304675533 /nfs/dbraw/zinc/67/55/33/1304675533.db2.gz DASKQCRNVGKQFZ-VIFPVBQESA-N -1 0 346.196 2.957 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000122578276 1304774474 /nfs/dbraw/zinc/77/44/74/1304774474.db2.gz BSKWKSSMAKITSE-CYBMUJFWSA-N -1 0 343.770 2.628 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000122611371 1304813135 /nfs/dbraw/zinc/81/31/35/1304813135.db2.gz VUPQMDBIRUPHLY-MRXNPFEDSA-N -1 0 330.347 2.687 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000122624879 1304820707 /nfs/dbraw/zinc/82/07/07/1304820707.db2.gz IQKWGBAOXYDDPP-AWEZNQCLSA-N -1 0 325.368 2.803 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(C)c1OC(F)F ZINC000122649212 1304853999 /nfs/dbraw/zinc/85/39/99/1304853999.db2.gz LTFUOKMNKLOOKR-LBPRGKRZSA-N -1 0 347.321 2.844 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122695958 1304897908 /nfs/dbraw/zinc/89/79/08/1304897908.db2.gz FLTUFZRTZUGLHP-YPMHNXCESA-N -1 0 345.786 2.741 20 30 EFEDRM C[C@H](CCc1ccccc1F)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122747135 1304947545 /nfs/dbraw/zinc/94/75/45/1304947545.db2.gz BOCRSWPPGLIFLF-OCCSQVGLSA-N -1 0 327.359 2.720 20 30 EFEDRM CSc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)co1 ZINC000869774202 1304963828 /nfs/dbraw/zinc/96/38/28/1304963828.db2.gz UJYRBONONGSISH-SNVBAGLBSA-N -1 0 336.394 2.800 20 30 EFEDRM CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122799300 1304989966 /nfs/dbraw/zinc/98/99/66/1304989966.db2.gz GECZNXNHWZTWBI-HIFRSBDPSA-N -1 0 339.395 2.904 20 30 EFEDRM COc1ccc(S[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122801459 1305012204 /nfs/dbraw/zinc/01/22/04/1305012204.db2.gz XROLTTILXQBWQF-SMDDNHRTSA-N -1 0 343.408 2.501 20 30 EFEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)sc2c1 ZINC000870132716 1305159199 /nfs/dbraw/zinc/15/91/99/1305159199.db2.gz LHMZEXUHVRMJOU-ZDUSSCGKSA-N -1 0 328.393 2.855 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@@H]2CCOC2)nc1C ZINC000870135223 1305161331 /nfs/dbraw/zinc/16/13/31/1305161331.db2.gz UBEZRDKBXWSHGW-OLZOCXBDSA-N -1 0 349.456 2.584 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000123042668 1305251823 /nfs/dbraw/zinc/25/18/23/1305251823.db2.gz FBLSOYNXYRDTGQ-CYBMUJFWSA-N -1 0 340.770 2.689 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(CC)c1C)c1ccccc1 ZINC000870310402 1305256064 /nfs/dbraw/zinc/25/60/64/1305256064.db2.gz WZEGOXHZRGYHRI-NVXWUHKLSA-N -1 0 338.411 2.801 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1)c1ccccc1 ZINC000870310513 1305256134 /nfs/dbraw/zinc/25/61/34/1305256134.db2.gz ZFYIYROAOSMYFQ-ZIAGYGMSSA-N -1 0 346.337 2.868 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3nccn3c2)s1 ZINC000870340166 1305271136 /nfs/dbraw/zinc/27/11/36/1305271136.db2.gz RTHJIEUKMGSDKV-LLVKDONJSA-N -1 0 325.397 2.973 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccc(OC)c2)CC1 ZINC000870370954 1305288036 /nfs/dbraw/zinc/28/80/36/1305288036.db2.gz WTXDVMLSOBLRPG-UHFFFAOYSA-N -1 0 337.441 2.528 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000870370028 1305288404 /nfs/dbraw/zinc/28/84/04/1305288404.db2.gz QSDOQIJPKCCDOH-ZDUSSCGKSA-N -1 0 339.432 2.949 20 30 EFEDRM C/C(=C/C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000870383604 1305295676 /nfs/dbraw/zinc/29/56/76/1305295676.db2.gz AWGSZXPVABNZPM-QPEQYQDCSA-N -1 0 347.440 2.531 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccccc1F ZINC000123102451 1305297251 /nfs/dbraw/zinc/29/72/51/1305297251.db2.gz JSFGZGSGVJFHMD-LLVKDONJSA-N -1 0 331.372 2.633 20 30 EFEDRM Cc1cccc(OCCCCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000123144067 1305334088 /nfs/dbraw/zinc/33/40/88/1305334088.db2.gz AJVRCUAFNQETMR-INIZCTEOSA-N -1 0 339.395 2.869 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC000123164603 1305375321 /nfs/dbraw/zinc/37/53/21/1305375321.db2.gz YXARUMBFXOZGRB-GFCCVEGCSA-N -1 0 327.409 2.956 20 30 EFEDRM COc1ccccc1C[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123228490 1305441053 /nfs/dbraw/zinc/44/10/53/1305441053.db2.gz GDXVYBCTIUUBKA-HIFRSBDPSA-N -1 0 339.395 2.589 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)ccc1Cl ZINC000123305988 1305564492 /nfs/dbraw/zinc/56/44/92/1305564492.db2.gz XZFFDTCGMCVMRU-YPMHNXCESA-N -1 0 345.786 2.741 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1-c1nccc(C#N)c1C(OC)OC ZINC001240734286 1314064085 /nfs/dbraw/zinc/06/40/85/1314064085.db2.gz SCYHTLKCYASTFI-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000796611638 1306791248 /nfs/dbraw/zinc/79/12/48/1306791248.db2.gz MIZVCPIRGFBPLE-CQSZACIVSA-N -1 0 346.383 2.718 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1C#N ZINC001259463066 1316246278 /nfs/dbraw/zinc/24/62/78/1316246278.db2.gz NZPLDJJOQSSVEQ-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)C1CCOCC1 ZINC001259914020 1316297350 /nfs/dbraw/zinc/29/73/50/1316297350.db2.gz IDSVLDTVWBBIAV-UHFFFAOYSA-N -1 0 335.212 2.786 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260466695 1316340803 /nfs/dbraw/zinc/34/08/03/1316340803.db2.gz KOEFPGFUULGFOH-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1-c1ccc(CN(C)/C(C)=N/C#N)cn1 ZINC001242386954 1314202768 /nfs/dbraw/zinc/20/27/68/1314202768.db2.gz DODQZXCZYIOCAV-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2ccc(C)c(C#N)c2)c1 ZINC000800446173 1307851525 /nfs/dbraw/zinc/85/15/25/1307851525.db2.gz QYTBRAQESKQWEX-UHFFFAOYSA-N -1 0 342.420 2.743 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(O)c(C#N)c1 ZINC001242565754 1314216074 /nfs/dbraw/zinc/21/60/74/1314216074.db2.gz BUZORZRCOGZHOD-UHFFFAOYSA-N -1 0 342.380 2.769 20 30 EFEDRM COCOc1cnc(-c2ccc(O)c(C#N)c2)cc1/C=C/[NH+](C)C ZINC001242564342 1314216342 /nfs/dbraw/zinc/21/63/42/1314216342.db2.gz YNHUPLHHCHZEEQ-VOTSOKGWSA-N -1 0 325.368 2.841 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc(C)nn1Cc1ccccc1)C(=O)[O-] ZINC000900325858 1307976382 /nfs/dbraw/zinc/97/63/82/1307976382.db2.gz XGLKWFIPNUVYGL-OAHLLOKOSA-N -1 0 342.399 2.781 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000900342394 1308013599 /nfs/dbraw/zinc/01/35/99/1308013599.db2.gz OZHQGEDJADERMJ-PBHICJAKSA-N -1 0 343.427 2.972 20 30 EFEDRM N#Cc1ccccc1-c1ccc(S(=O)(=O)[N-]c2nccs2)cn1 ZINC001242715565 1314227772 /nfs/dbraw/zinc/22/77/72/1314227772.db2.gz ZIILBDNTEREQGV-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000749022985 1314236786 /nfs/dbraw/zinc/23/67/86/1314236786.db2.gz MVRRORCPPKCFOL-UHFFFAOYSA-N -1 0 346.792 2.718 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000013136084 1308312856 /nfs/dbraw/zinc/31/28/56/1308312856.db2.gz LRAQUOUTPLKULV-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccccc2C(=O)[O-])nc1 ZINC001242877082 1314241086 /nfs/dbraw/zinc/24/10/86/1314241086.db2.gz QKYHZIYYBQUAHE-JZJYNLBNSA-N -1 0 338.392 2.833 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2c(C)cccc2C)cc1C(=O)[O-] ZINC000800805453 1308453124 /nfs/dbraw/zinc/45/31/24/1308453124.db2.gz YIKSPYFIJUJVOP-UHFFFAOYSA-N -1 0 330.413 2.959 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000800808064 1308460064 /nfs/dbraw/zinc/46/00/64/1308460064.db2.gz FDZANJLKWLIOOP-IMSIIYSGSA-N -1 0 336.461 2.644 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000749071657 1314258849 /nfs/dbraw/zinc/25/88/49/1314258849.db2.gz QVOGRYDZQVGYRP-UHFFFAOYSA-N -1 0 341.432 2.802 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cccc(CC(=O)[O-])c1 ZINC001210068159 1314277326 /nfs/dbraw/zinc/27/73/26/1314277326.db2.gz KNKLFPOEZHXPNQ-UHFFFAOYSA-N -1 0 332.157 2.591 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1C#N ZINC001210124032 1314285265 /nfs/dbraw/zinc/28/52/65/1314285265.db2.gz IMAWHTUTZYMZOI-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1F ZINC001210242674 1314300275 /nfs/dbraw/zinc/30/02/75/1314300275.db2.gz ZIAWYFIAAMGZTR-UHFFFAOYSA-N -1 0 327.315 2.807 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cccc(C(=O)[O-])c1F ZINC001210239198 1314300424 /nfs/dbraw/zinc/30/04/24/1314300424.db2.gz UJGXTKIXNXHCGI-UHFFFAOYSA-N -1 0 330.319 2.687 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC001210260378 1314303098 /nfs/dbraw/zinc/30/30/98/1314303098.db2.gz MSVDLGVODUWJNM-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1Nc1ccc(NC(C)=O)c(C#N)c1 ZINC001210260034 1314303281 /nfs/dbraw/zinc/30/32/81/1314303281.db2.gz WSZWLZDMBDVOEH-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM N#Cc1cnc2cc[nH]c(-c3ccc(NC(=O)CCC(=O)[O-])cc3)c1-2 ZINC001244028920 1314345059 /nfs/dbraw/zinc/34/50/59/1314345059.db2.gz IIECVMWDSJBAKM-UHFFFAOYSA-N -1 0 334.335 2.905 20 30 EFEDRM N#Cc1cnc2ccc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cn12 ZINC001244040358 1314346677 /nfs/dbraw/zinc/34/66/77/1314346677.db2.gz ORGBPMWCTPPVCX-UHFFFAOYSA-N -1 0 334.335 2.676 20 30 EFEDRM N#Cc1cc(Cl)cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC001210540242 1314349032 /nfs/dbraw/zinc/34/90/32/1314349032.db2.gz UQGLPFKFLIDWIC-UHFFFAOYSA-N -1 0 329.743 2.770 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1C=NNCCCOCc1ccccc1 ZINC000901269794 1310014772 /nfs/dbraw/zinc/01/47/72/1310014772.db2.gz NMQGWPLWDBHXNF-UHFFFAOYSA-N -1 0 342.395 2.924 20 30 EFEDRM Cc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c(C#N)c1 ZINC001210570180 1314355285 /nfs/dbraw/zinc/35/52/85/1314355285.db2.gz OAZFMAYDJIKJHY-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000901304066 1310095082 /nfs/dbraw/zinc/09/50/82/1310095082.db2.gz RFRHAECRQRFWIE-FAXLKDOZSA-N -1 0 334.416 2.808 20 30 EFEDRM COc1cc(C(=O)[O-])cc(-c2ccc(CN(C)/C(C)=N/C#N)cn2)c1 ZINC001244175028 1314358918 /nfs/dbraw/zinc/35/89/18/1314358918.db2.gz IZAQLXVNENJQNM-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(OC)cc(C(=O)[O-])c1 ZINC001244175113 1314359021 /nfs/dbraw/zinc/35/90/21/1314359021.db2.gz HFCRTLFUPPSPRL-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM C[C@@H]1C[C@@H](NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000901311867 1310113446 /nfs/dbraw/zinc/11/34/46/1310113446.db2.gz XHUYGJFJTIOJOU-PTEHBNRSSA-N -1 0 342.342 2.622 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1OCCC(=O)[O-] ZINC000901465625 1310527583 /nfs/dbraw/zinc/52/75/83/1310527583.db2.gz XBZQQWDKXGTYIM-CMDGGOBGSA-N -1 0 328.368 2.787 20 30 EFEDRM COC(=O)c1cc(C#N)cnc1-c1cc(C(=O)[O-])c(Cl)cc1F ZINC001244611311 1314394973 /nfs/dbraw/zinc/39/49/73/1314394973.db2.gz AJGHMYALIBOVQH-UHFFFAOYSA-N -1 0 334.690 2.898 20 30 EFEDRM O=C([O-])c1coc2c1C(=O)/C(=C\c1cnc(N3CCCC3)nc1)CC2 ZINC000901514899 1310593621 /nfs/dbraw/zinc/59/36/21/1310593621.db2.gz KKNLUICVMLOLGD-GHXNOFRVSA-N -1 0 339.351 2.581 20 30 EFEDRM CCCn1cc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000901526983 1310611438 /nfs/dbraw/zinc/61/14/38/1310611438.db2.gz SPCAHICWSIYXLZ-JLHYYAGUSA-N -1 0 325.368 2.989 20 30 EFEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1 ZINC000901561009 1310669124 /nfs/dbraw/zinc/66/91/24/1310669124.db2.gz PNXFLZLKNKUOIW-SREVYHEPSA-N -1 0 326.352 2.579 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000901561254 1310669232 /nfs/dbraw/zinc/66/92/32/1310669232.db2.gz NVBOYRHWEOXDBM-LJTDUEICSA-N -1 0 340.379 2.967 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901767366 1311020041 /nfs/dbraw/zinc/02/00/41/1311020041.db2.gz LXXPNEPPRFQIFV-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CC[C@@H](C)Oc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OC ZINC000749443429 1311029309 /nfs/dbraw/zinc/02/93/09/1311029309.db2.gz FVXBOAFIEIIPDO-SNVBAGLBSA-N -1 0 331.376 2.518 20 30 EFEDRM COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000749747451 1311040278 /nfs/dbraw/zinc/04/02/78/1311040278.db2.gz ZDXCVEFQSANRIJ-APSNUPSMSA-N -1 0 344.294 2.914 20 30 EFEDRM C=CCOC[C@H](NCc1ccc(Sc2ccccn2)o1)C(=O)[O-] ZINC000901808270 1311054260 /nfs/dbraw/zinc/05/42/60/1311054260.db2.gz CJOQJIPNZXHOTJ-ZDUSSCGKSA-N -1 0 334.397 2.571 20 30 EFEDRM C=CCOC[C@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000901810072 1311055388 /nfs/dbraw/zinc/05/53/88/1311055388.db2.gz WDMZRWWJTAVPFD-HNNXBMFYSA-N -1 0 348.424 2.564 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)c1cnn(C)c1 ZINC000750682433 1311089047 /nfs/dbraw/zinc/08/90/47/1311089047.db2.gz ZAKOWAOJULEFSM-ABAIWWIYSA-N -1 0 334.379 2.905 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)N[C@@H](C)C1CC1)CCC2 ZINC000751531040 1311122677 /nfs/dbraw/zinc/12/26/77/1311122677.db2.gz GRLAOOPVMVJVHH-VIFPVBQESA-N -1 0 335.429 2.589 20 30 EFEDRM Cc1nc(N[C@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)ccc1C#N ZINC001067037782 1311136999 /nfs/dbraw/zinc/13/69/99/1311136999.db2.gz MOPMJZJVCLVLCF-WBMJQRKESA-N -1 0 336.395 2.540 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccc2ccccc21 ZINC001222767824 1311181451 /nfs/dbraw/zinc/18/14/51/1311181451.db2.gz BZWVERONWMCNIX-MRXNPFEDSA-N -1 0 336.409 2.815 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Br)n1 ZINC000802031533 1311242305 /nfs/dbraw/zinc/24/23/05/1311242305.db2.gz GYCZAAHAFHFAAW-QMMMGPOBSA-N -1 0 339.218 2.746 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(C3CC3)n2)c1 ZINC000802040064 1311259063 /nfs/dbraw/zinc/25/90/63/1311259063.db2.gz FKLCMJTTWZOQEG-CYBMUJFWSA-N -1 0 325.324 2.522 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(C3CC3)n2)c1 ZINC000802040065 1311259129 /nfs/dbraw/zinc/25/91/29/1311259129.db2.gz FKLCMJTTWZOQEG-ZDUSSCGKSA-N -1 0 325.324 2.522 20 30 EFEDRM C=C[C@@H]1O[C@H](O/C(=N\O)c2ccc(Cl)cc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001223593809 1311280157 /nfs/dbraw/zinc/28/01/57/1311280157.db2.gz ONRMCIRYGLNFFG-OLRXYUTMSA-N -1 0 339.775 2.923 20 30 EFEDRM CC1=C(O/C(=N\[O-])c2ccccc2Br)C(=O)O[C@@H]1C ZINC001223884896 1311315201 /nfs/dbraw/zinc/31/52/01/1311315201.db2.gz UBMHXVKLAAURCP-MFDJHEEKSA-N -1 0 326.146 2.821 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802114384 1311360201 /nfs/dbraw/zinc/36/02/01/1311360201.db2.gz CQSCKXVUDJEWEQ-GFCCVEGCSA-N -1 0 338.754 2.827 20 30 EFEDRM N#C[C@@H](OCCS(=O)(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC001224573169 1311409585 /nfs/dbraw/zinc/40/95/85/1311409585.db2.gz YQLBLQIMCJPONF-MRXNPFEDSA-N -1 0 333.365 2.948 20 30 EFEDRM Cc1cc(=O)c(COC(=O)CCCCOc2cccc(C#N)c2)n[n-]1 ZINC000802171676 1311422029 /nfs/dbraw/zinc/42/20/29/1311422029.db2.gz OUZRUKLWDICKBE-UHFFFAOYSA-N -1 0 341.367 2.655 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1nc(Cl)ccc1F ZINC001158964581 1311425137 /nfs/dbraw/zinc/42/51/37/1311425137.db2.gz AYICHPTUOQLLJM-UHFFFAOYSA-N -1 0 345.668 2.718 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1ncc2c(Cl)cccc2n1 ZINC001158964599 1311425406 /nfs/dbraw/zinc/42/54/06/1311425406.db2.gz CDDXJOIMJYWWGL-UHFFFAOYSA-N -1 0 328.719 2.709 20 30 EFEDRM C=CCc1cc(C(=O)OCc2n[n-]c(C)cc2=O)cc(OC)c1OC ZINC000802175398 1311427656 /nfs/dbraw/zinc/42/76/56/1311427656.db2.gz YTWLWAIXGYYSQC-UHFFFAOYSA-N -1 0 344.367 2.593 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)co1 ZINC000802213362 1311468034 /nfs/dbraw/zinc/46/80/34/1311468034.db2.gz XOIBANMYOJPLQP-AWEZNQCLSA-N -1 0 325.368 2.574 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1C(F)(F)F ZINC001225217701 1311490963 /nfs/dbraw/zinc/49/09/63/1311490963.db2.gz LAFWHUMFYAWMCL-SNVBAGLBSA-N -1 0 340.319 2.543 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C(C)C)ccc1C ZINC001225223426 1311491894 /nfs/dbraw/zinc/49/18/94/1311491894.db2.gz URCGSXRARILPTN-HNNXBMFYSA-N -1 0 328.430 2.956 20 30 EFEDRM O=C([O-])c1nnc(Cl)cc1C(F)(F)NCC#Cc1ccccc1 ZINC001159377508 1311505669 /nfs/dbraw/zinc/50/56/69/1311505669.db2.gz ULOVKDDONGQQRU-UHFFFAOYSA-N -1 0 337.713 2.519 20 30 EFEDRM N#Cc1cccnc1N1CCC(Oc2cccc([O-])c2[N+](=O)[O-])CC1 ZINC001225619931 1311555017 /nfs/dbraw/zinc/55/50/17/1311555017.db2.gz KRTFMQYMVIZZOD-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM C#CC(C#C)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225629432 1311556006 /nfs/dbraw/zinc/55/60/06/1311556006.db2.gz WGVHKFDIZCQHQI-UHFFFAOYSA-N -1 0 348.310 2.591 20 30 EFEDRM CCC[C@@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)cc(=O)[n-]1 ZINC001225729542 1311569637 /nfs/dbraw/zinc/56/96/37/1311569637.db2.gz ALNFSNYBUQIFAL-AWEZNQCLSA-N -1 0 326.352 2.568 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(OC(C)(C)C)cc1 ZINC001225974728 1311596392 /nfs/dbraw/zinc/59/63/92/1311596392.db2.gz ICMXVYOCMURDLG-OAHLLOKOSA-N -1 0 344.429 2.702 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001225980935 1311597230 /nfs/dbraw/zinc/59/72/30/1311597230.db2.gz SDUSKFBFQWPLHC-MRVPVSSYSA-N -1 0 334.294 2.866 20 30 EFEDRM O=S(=O)([N-]c1cccc(F)c1)c1cccnc1NCCCS ZINC001159871774 1311600733 /nfs/dbraw/zinc/60/07/33/1311600733.db2.gz RYEWJTHYYWNCMU-UHFFFAOYSA-N -1 0 341.433 2.753 20 30 EFEDRM COC(=O)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccc(Cl)c1 ZINC001226008925 1311600708 /nfs/dbraw/zinc/60/07/08/1311600708.db2.gz OKZJBPCLZVDVKV-LBPRGKRZSA-N -1 0 336.706 2.744 20 30 EFEDRM Cc1ccnc(N2CCC(Oc3[n-]c(=O)c(F)cc3C#N)CC2)c1 ZINC001226009095 1311600768 /nfs/dbraw/zinc/60/07/68/1311600768.db2.gz RURGYGSRLWBUHK-UHFFFAOYSA-N -1 0 328.347 2.549 20 30 EFEDRM Cc1ccc(N2CCC(Oc3[n-]c(=O)c(F)cc3C#N)CC2)nc1 ZINC001226009398 1311601011 /nfs/dbraw/zinc/60/10/11/1311601011.db2.gz WTUXQGHOMBXBTQ-UHFFFAOYSA-N -1 0 328.347 2.549 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2Oc1[n-]c(=O)c(F)cc1C#N ZINC001226012577 1311601222 /nfs/dbraw/zinc/60/12/22/1311601222.db2.gz BKUMAIMPNNWNDV-NQBHXWOUSA-N -1 0 349.362 2.575 20 30 EFEDRM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1cccc([S-])c1 ZINC001226016561 1311601288 /nfs/dbraw/zinc/60/12/88/1311601288.db2.gz UNSASNSMOFCLKX-UHFFFAOYSA-N -1 0 336.409 2.961 20 30 EFEDRM C=CC[C@@H](CCCC)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226015420 1311601319 /nfs/dbraw/zinc/60/13/19/1311601319.db2.gz GJUQKVFSRAVOMM-JTQLQIEISA-N -1 0 339.348 2.781 20 30 EFEDRM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226014341 1311601403 /nfs/dbraw/zinc/60/14/03/1311601403.db2.gz VUDZEWRSZGAKRE-XYPYZODXSA-N -1 0 337.351 2.575 20 30 EFEDRM C=C(C)C[C@@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])C(=C)C ZINC001226015077 1311601539 /nfs/dbraw/zinc/60/15/39/1311601539.db2.gz CDEUJPIGFFMQRL-SNVBAGLBSA-N -1 0 337.332 2.557 20 30 EFEDRM COC(=O)C1CCC(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)CC1 ZINC001226064695 1311608596 /nfs/dbraw/zinc/60/85/96/1311608596.db2.gz OTFXSKLMEUKPPE-UHFFFAOYSA-N -1 0 344.289 2.788 20 30 EFEDRM COC(=O)[C@@H]1CCC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226068076 1311608963 /nfs/dbraw/zinc/60/89/63/1311608963.db2.gz MEGMTSBIZILIOU-BDAKNGLRSA-N -1 0 344.289 2.788 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000802466739 1311680715 /nfs/dbraw/zinc/68/07/15/1311680715.db2.gz HCWRXHGCXDKHNL-LLVKDONJSA-N -1 0 337.236 2.821 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1n[n-]c(=O)cc1Br ZINC001226846250 1311731554 /nfs/dbraw/zinc/73/15/54/1311731554.db2.gz LQMLMVXTXJYKFB-MRVPVSSYSA-N -1 0 345.193 2.610 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(-c2ccccc2)ccn1 ZINC001226950792 1311746122 /nfs/dbraw/zinc/74/61/22/1311746122.db2.gz XWKSQRNEMGDSNC-INIZCTEOSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)c(C)cc1Cl ZINC001227122913 1311764898 /nfs/dbraw/zinc/76/48/98/1311764898.db2.gz OHHAHHXAXDQEJP-GFCCVEGCSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1csc(C(F)(F)F)c1 ZINC001227324655 1311793910 /nfs/dbraw/zinc/79/39/10/1311793910.db2.gz RNQSCQRHQLTYGM-SECBINFHSA-N -1 0 346.348 2.605 20 30 EFEDRM C#C[C@@H](Oc1cc([O-])c(Br)cc1C(=O)OC)C(C)C ZINC001227359538 1311797545 /nfs/dbraw/zinc/79/75/45/1311797545.db2.gz NAROKLAYFYOSPV-GFCCVEGCSA-N -1 0 327.174 2.978 20 30 EFEDRM CCC#C[C@@H](C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495844 1311812461 /nfs/dbraw/zinc/81/24/61/1311812461.db2.gz YJTWSIOXIBSRGM-SNVBAGLBSA-N -1 0 340.397 2.988 20 30 EFEDRM C=CCC(CC=C)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227593700 1311826050 /nfs/dbraw/zinc/82/60/50/1311826050.db2.gz HGIWSBBAWMSJAY-UHFFFAOYSA-N -1 0 325.166 2.721 20 30 EFEDRM C=CCC[C@@H](CC)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227598222 1311826658 /nfs/dbraw/zinc/82/66/58/1311826658.db2.gz VSYDOUDLGKRBCE-SSDOTTSWSA-N -1 0 327.182 2.945 20 30 EFEDRM C#C[C@@H]1CCC[C@@H]1Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639103 1311835528 /nfs/dbraw/zinc/83/55/28/1311835528.db2.gz GGQIEXJCQRHSNT-BZNIZROVSA-N -1 0 332.377 2.973 20 30 EFEDRM C#C[C@H]1CCC[C@H]1Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227671738 1311837499 /nfs/dbraw/zinc/83/74/99/1311837499.db2.gz SFBJVCOOELWSNU-MEDUHNTESA-N -1 0 332.377 2.973 20 30 EFEDRM C#CC(C#C)Oc1cc([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c12 ZINC001227822019 1311861447 /nfs/dbraw/zinc/86/14/47/1311861447.db2.gz WRYSTRZMLXXDNG-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)ccc1C(C)C ZINC001227944467 1311877286 /nfs/dbraw/zinc/87/72/86/1311877286.db2.gz ZVPJMTMBHXFLTR-AWEZNQCLSA-N -1 0 328.430 2.956 20 30 EFEDRM CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2cc(Cl)ccc21 ZINC001227988825 1311885580 /nfs/dbraw/zinc/88/55/80/1311885580.db2.gz HAUACAOFSUCTAF-SNVBAGLBSA-N -1 0 335.747 2.603 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCc4cc(C#N)ccc43)cc2=O)cc1 ZINC001161512163 1311904330 /nfs/dbraw/zinc/90/43/30/1311904330.db2.gz UAUBULAQSFIFKI-UHFFFAOYSA-N -1 0 344.374 2.549 20 30 EFEDRM COC(=O)c1nnc(O[C@H](C#Cc2ccccc2)c2ccccc2)[n-]1 ZINC001228314969 1311928948 /nfs/dbraw/zinc/92/89/48/1311928948.db2.gz VVGGBGYIOQNSCQ-MRXNPFEDSA-N -1 0 333.347 2.763 20 30 EFEDRM C#CC(C#C)Oc1c(=O)c2ccc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001228367444 1311937715 /nfs/dbraw/zinc/93/77/15/1311937715.db2.gz BIFVZKUFSLGABM-UHFFFAOYSA-N -1 0 348.310 2.591 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]ncc(=O)c1Cl ZINC001228388420 1311940411 /nfs/dbraw/zinc/94/04/11/1311940411.db2.gz VPFRYBLETSMALG-NSHDSACASA-N -1 0 341.795 2.780 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(=O)CCC)cc1 ZINC001228463758 1311951072 /nfs/dbraw/zinc/95/10/72/1311951072.db2.gz PCTGCOROFSZKEY-OAHLLOKOSA-N -1 0 342.413 2.507 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)ncc1Cl ZINC001228481030 1311953821 /nfs/dbraw/zinc/95/38/21/1311953821.db2.gz VFPXNEMDYRJNHE-LLVKDONJSA-N -1 0 341.795 2.780 20 30 EFEDRM Cc1cc2nc3nc(=O)[n-]c(O[C@H](C)[C@H](C)S)c3nc2cc1C ZINC001228685455 1311981727 /nfs/dbraw/zinc/98/17/27/1311981727.db2.gz HHPVTVIUMRMVGI-ZJUUUORDSA-N -1 0 330.413 2.981 20 30 EFEDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CC[C@H](C#N)C4)c3nc2cc1C ZINC001228683524 1311982041 /nfs/dbraw/zinc/98/20/41/1311982041.db2.gz ANNACCRKVQVFNR-NWDGAFQWSA-N -1 0 335.367 2.967 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2cc(C)ccc2c1 ZINC001228736791 1311990857 /nfs/dbraw/zinc/99/08/57/1311990857.db2.gz INFQJWSHTOQBHK-QGZVFWFLSA-N -1 0 336.409 2.986 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)CC(C)(C)S)cc1[O-] ZINC001228815721 1312004039 /nfs/dbraw/zinc/00/40/39/1312004039.db2.gz XVMBBPNURXWAQR-QMMMGPOBSA-N -1 0 329.374 2.953 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1[n-]c(=O)ccc1C#N)C2 ZINC001228899295 1312017065 /nfs/dbraw/zinc/01/70/65/1312017065.db2.gz UIVHVWGGUOJOKM-ZDUSSCGKSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228903281 1312017697 /nfs/dbraw/zinc/01/76/97/1312017697.db2.gz WNTITPFNIAFVBK-DGCLKSJQSA-N -1 0 333.388 2.683 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1COc2c1cccc2Br ZINC001228906235 1312018306 /nfs/dbraw/zinc/01/83/06/1312018306.db2.gz ULRVGVKUXYDWSC-LLVKDONJSA-N -1 0 333.141 2.934 20 30 EFEDRM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228906089 1312018322 /nfs/dbraw/zinc/01/83/22/1312018322.db2.gz TUORZKQCSTUTHP-YPMHNXCESA-N -1 0 333.388 2.683 20 30 EFEDRM C#C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1I ZINC001228928877 1312021829 /nfs/dbraw/zinc/02/18/29/1312021829.db2.gz CDHALSSUWRQADZ-VIFPVBQESA-N -1 0 346.168 2.748 20 30 EFEDRM C=CCC(CC=C)Oc1nc[n-]c(=O)c1I ZINC001228931358 1312022098 /nfs/dbraw/zinc/02/20/98/1312022098.db2.gz RXQQZGCTFQRTTR-UHFFFAOYSA-N -1 0 332.141 2.686 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2sccc2c1 ZINC001229123334 1312050192 /nfs/dbraw/zinc/05/01/92/1312050192.db2.gz YINWFWUYJPUVDC-CYBMUJFWSA-N -1 0 328.411 2.739 20 30 EFEDRM CN1CC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)cc2)C1 ZINC001229265618 1312069882 /nfs/dbraw/zinc/06/98/82/1312069882.db2.gz NTQRKSXARTXQKE-RUDMXATFSA-N -1 0 325.364 2.687 20 30 EFEDRM C=C1O[C@@H](C)C(=O)C1Oc1cccc2c1cccc2S(=O)(=O)[O-] ZINC001229356608 1312083112 /nfs/dbraw/zinc/08/31/12/1312083112.db2.gz VWENXZPRVPOWKC-VIFPVBQESA-N -1 0 334.349 2.685 20 30 EFEDRM CC(C)C[C@@](C)(C#N)NC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001162519446 1312118343 /nfs/dbraw/zinc/11/83/43/1312118343.db2.gz FUZKMLIIBKLLIW-LBPRGKRZSA-N -1 0 332.738 2.795 20 30 EFEDRM C#C[C@@H](Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccncc1 ZINC001229622760 1312121463 /nfs/dbraw/zinc/12/14/63/1312121463.db2.gz GBTVLHBXLDOWBO-CVEARBPZSA-N -1 0 338.388 2.729 20 30 EFEDRM C#CC(C#C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229703958 1312124930 /nfs/dbraw/zinc/12/49/30/1312124930.db2.gz OQFHKIURCJNRPX-UHFFFAOYSA-N -1 0 348.310 2.591 20 30 EFEDRM C=CC[C@@H](Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1)c1ccccc1 ZINC001162909679 1312201670 /nfs/dbraw/zinc/20/16/70/1312201670.db2.gz SHPBFTJYJPTXAD-MRXNPFEDSA-N -1 0 345.424 2.636 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2OC1CCC(C#N)CC1 ZINC001230203619 1312204574 /nfs/dbraw/zinc/20/45/74/1312204574.db2.gz UHIOBSAZAHVTEV-UHFFFAOYSA-N -1 0 327.340 2.583 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nc(C#N)ccc1[N+](=O)[O-] ZINC001163110688 1312242949 /nfs/dbraw/zinc/24/29/49/1312242949.db2.gz FWZBVNTTWLOCFZ-UHFFFAOYSA-N -1 0 336.311 2.805 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncnc(Cl)c1C#N ZINC001163109771 1312243174 /nfs/dbraw/zinc/24/31/74/1312243174.db2.gz MVCSINQTKNQJFU-UHFFFAOYSA-N -1 0 326.747 2.945 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)c1C#N ZINC000903078831 1312331820 /nfs/dbraw/zinc/33/18/20/1312331820.db2.gz CVNUWIRMWSFSTL-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM N#Cc1c(Cl)nc2cccc(F)c2c1N[C@H]1SC(=O)[N-]C1=O ZINC001163667449 1312357630 /nfs/dbraw/zinc/35/76/30/1312357630.db2.gz UGRYEXCOANGFEM-LBPRGKRZSA-N -1 0 336.735 2.620 20 30 EFEDRM O=C1[N-]C(=O)[C@@H](Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)S1 ZINC001163673037 1312360096 /nfs/dbraw/zinc/36/00/96/1312360096.db2.gz UUJBMCZUBLTEIK-QMMMGPOBSA-N -1 0 348.199 2.983 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2O)[n-]c1C#N ZINC001163738578 1312375442 /nfs/dbraw/zinc/37/54/42/1312375442.db2.gz VCTDEWUUFJNHML-UHFFFAOYSA-N -1 0 343.346 2.702 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000903141173 1312400837 /nfs/dbraw/zinc/40/08/37/1312400837.db2.gz NXPKQLLZHFMLQF-UHFFFAOYSA-N -1 0 343.408 2.776 20 30 EFEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccncc2C#N)cc1 ZINC000903150107 1312411300 /nfs/dbraw/zinc/41/13/00/1312411300.db2.gz LMVBKKLUZHFNJF-UHFFFAOYSA-N -1 0 345.424 2.601 20 30 EFEDRM CC[C@H](C#CC(=O)OC)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1 ZINC001231050329 1312418880 /nfs/dbraw/zinc/41/88/80/1312418880.db2.gz RYJOHHWFMSDJDN-SSDOTTSWSA-N -1 0 328.155 2.599 20 30 EFEDRM N#CCc1ccc(C(F)(F)F)cc1NCC[N-]C(=O)C(F)(F)F ZINC001164245976 1312477446 /nfs/dbraw/zinc/47/74/46/1312477446.db2.gz HQANTTUJIDVWCQ-UHFFFAOYSA-N -1 0 339.239 2.862 20 30 EFEDRM N#Cc1ccc2c(c1)CCN(c1nc[n-]c3nc(=S)sc1-3)C2 ZINC001164485351 1312523483 /nfs/dbraw/zinc/52/34/83/1312523483.db2.gz WVDWSHHZWAGGGP-UHFFFAOYSA-N -1 0 325.422 2.809 20 30 EFEDRM CCc1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)ccc1C#N ZINC001244955650 1314429783 /nfs/dbraw/zinc/42/97/83/1314429783.db2.gz KVASUQWTSZGVPS-UHFFFAOYSA-N -1 0 327.365 2.611 20 30 EFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)cc1 ZINC001245495537 1314500253 /nfs/dbraw/zinc/50/02/53/1314500253.db2.gz UEXJOALYYYCELH-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)cc1 ZINC001245495454 1314500306 /nfs/dbraw/zinc/50/03/06/1314500306.db2.gz PDLQOVBDEGPNIA-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cccc(O)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194707 1314520331 /nfs/dbraw/zinc/52/03/31/1314520331.db2.gz TUMXZZOGHNDIDO-UHFFFAOYSA-N -1 0 325.324 2.811 20 30 EFEDRM N#Cc1ccc(-c2cc(=O)n(C(=O)c3nc4ccccc4o3)[n-]2)cc1 ZINC001245932622 1314551137 /nfs/dbraw/zinc/55/11/37/1314551137.db2.gz JKZPRFZPWPOOQJ-UHFFFAOYSA-N -1 0 330.303 2.957 20 30 EFEDRM N#Cc1ccccc1-n1[n-]c(-c2ccc(N3CCOCC3)cc2)cc1=O ZINC001245943952 1314553265 /nfs/dbraw/zinc/55/32/65/1314553265.db2.gz YANOLNPEEIHWLD-UHFFFAOYSA-N -1 0 346.390 2.953 20 30 EFEDRM C#CCCc1cc(=O)n(-c2ccccc2I)[n-]1 ZINC001245952667 1314555152 /nfs/dbraw/zinc/55/51/52/1314555152.db2.gz QVQQHFOFKDHLTC-UHFFFAOYSA-N -1 0 338.148 2.748 20 30 EFEDRM C[C@H](Cc1cccc(Cl)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119057239 1314571401 /nfs/dbraw/zinc/57/14/01/1314571401.db2.gz VVBJTUBXPKZYKR-RISCZKNCSA-N -1 0 329.787 2.844 20 30 EFEDRM COC(=O)c1cc(Nc2cc(OC)cc(C(=O)[O-])c2)ccc1C#N ZINC001213597300 1314579527 /nfs/dbraw/zinc/57/95/27/1314579527.db2.gz RNJNZDOTMWADKT-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1-c1ccccc1 ZINC000119798483 1314707577 /nfs/dbraw/zinc/70/75/77/1314707577.db2.gz ODUHRGUWBUECPP-MRXNPFEDSA-N -1 0 336.395 2.562 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000119873994 1314727216 /nfs/dbraw/zinc/72/72/16/1314727216.db2.gz FWQXTOQNSUHNNI-CQSZACIVSA-N -1 0 340.358 2.597 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1ccc(Cl)c([O-])c1F ZINC001214793729 1314738578 /nfs/dbraw/zinc/73/85/78/1314738578.db2.gz KAWPAWXTUXTNLE-UHFFFAOYSA-N -1 0 330.710 2.776 20 30 EFEDRM N#Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(Br)n1 ZINC001215102075 1314781908 /nfs/dbraw/zinc/78/19/08/1314781908.db2.gz XLXWZAWXQGELGC-UHFFFAOYSA-N -1 0 337.108 2.692 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1Nc1cc(C(=O)[O-])cnc1F ZINC001215124295 1314785144 /nfs/dbraw/zinc/78/51/44/1314785144.db2.gz JYEVRSWHKMPPMS-UHFFFAOYSA-N -1 0 326.209 2.948 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215271691 1314807338 /nfs/dbraw/zinc/80/73/38/1314807338.db2.gz AQVMALCXPDPQSZ-UHFFFAOYSA-N -1 0 348.309 2.826 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3c(F)c(F)c([O-])c(F)c3F)n2)nc1 ZINC001215439675 1314835467 /nfs/dbraw/zinc/83/54/67/1314835467.db2.gz PEJMSCZXTDLSDV-UHFFFAOYSA-N -1 0 336.204 2.932 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215461306 1314838704 /nfs/dbraw/zinc/83/87/04/1314838704.db2.gz AQRFONDEARHOSV-UHFFFAOYSA-N -1 0 331.282 2.732 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215612195 1314857017 /nfs/dbraw/zinc/85/70/17/1314857017.db2.gz SGYXGNBTWLJQHS-UHFFFAOYSA-N -1 0 331.282 2.732 20 30 EFEDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001215647064 1314863836 /nfs/dbraw/zinc/86/38/36/1314863836.db2.gz QOGFERMBDGBMKS-UHFFFAOYSA-N -1 0 331.397 2.567 20 30 EFEDRM CCCOc1ccc2cc(NC(=N[O-])c3nonc3N)ccc2c1 ZINC001215679375 1314868020 /nfs/dbraw/zinc/86/80/20/1314868020.db2.gz MJKIKBYYDCANQO-UHFFFAOYSA-N -1 0 327.344 2.842 20 30 EFEDRM CS(=O)(=O)[N-]c1ccccc1-c1nc(-c2cccc(C#N)c2)no1 ZINC001215943600 1314893416 /nfs/dbraw/zinc/89/34/16/1314893416.db2.gz NTDIZPRYPGJETH-UHFFFAOYSA-N -1 0 340.364 2.647 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001216128222 1314916959 /nfs/dbraw/zinc/91/69/59/1314916959.db2.gz LFOYQNFRVKXYQL-UHFFFAOYSA-N -1 0 325.752 2.734 20 30 EFEDRM CCc1cc([N-]c2nonc2-c2cn3ccncc3n2)ccc1C#N ZINC001216316213 1314939670 /nfs/dbraw/zinc/93/96/70/1314939670.db2.gz KVIYLDFRGKVIEG-UHFFFAOYSA-N -1 0 331.339 2.957 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2cc(N)ccc2OC)ccc1C#N ZINC001216316615 1314939957 /nfs/dbraw/zinc/93/99/57/1314939957.db2.gz KOJBZFCFORFLOL-UHFFFAOYSA-N -1 0 331.397 2.512 20 30 EFEDRM COc1ccc2c(c1)O/C(=C\c1cccc(OCC(=O)[O-])c1)C2=O ZINC000749131862 1314942152 /nfs/dbraw/zinc/94/21/52/1314942152.db2.gz GUFPLTVLJOXQPG-PXNMLYILSA-N -1 0 326.304 2.775 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cccc(C(=O)[O-])c1C ZINC001216656768 1314989065 /nfs/dbraw/zinc/98/90/65/1314989065.db2.gz IRTNQFKAWDNTMA-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM Cc1c(Nc2c(C#N)cnn2C2CCOCC2)cccc1C(=O)[O-] ZINC001216659408 1314989177 /nfs/dbraw/zinc/98/91/77/1314989177.db2.gz QZAVGQOKCQLGID-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM N#Cc1cc(Br)ccc1-c1noc([C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001248928938 1315000408 /nfs/dbraw/zinc/00/04/08/1315000408.db2.gz CTPNYTVZQJSIJS-ZKCHVHJHSA-N -1 0 348.156 2.949 20 30 EFEDRM N#Cc1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)ccc1[O-] ZINC001216969746 1315027235 /nfs/dbraw/zinc/02/72/35/1315027235.db2.gz PIGXBTXACNSABY-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3ccccc3N3CCOCC3)no2)c1[O-] ZINC001216980023 1315027728 /nfs/dbraw/zinc/02/77/28/1315027728.db2.gz ORBHXHJMKGZPCD-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c([O-])c1 ZINC001217039715 1315032441 /nfs/dbraw/zinc/03/24/41/1315032441.db2.gz YFAUJYDYUUQNMZ-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM COc1ccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)cn1 ZINC001217506017 1315079107 /nfs/dbraw/zinc/07/91/07/1315079107.db2.gz GKVAFZGTUORBEK-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1cc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)ccn1 ZINC001217508046 1315079126 /nfs/dbraw/zinc/07/91/26/1315079126.db2.gz YNDWIEKDTFMDIS-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1cc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)ccn1 ZINC001217502673 1315079228 /nfs/dbraw/zinc/07/92/28/1315079228.db2.gz QKMLNXNUJBXYBB-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1cncc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)c1 ZINC001217505440 1315079266 /nfs/dbraw/zinc/07/92/66/1315079266.db2.gz ASJXBTOGNHIKRP-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1cccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)n1 ZINC001217508128 1315079541 /nfs/dbraw/zinc/07/95/41/1315079541.db2.gz ZUTDEPYLWLWSRS-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250970687 1315303422 /nfs/dbraw/zinc/30/34/22/1315303422.db2.gz VLJJNWKZIOZEJH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1sccc1C#N ZINC001219354612 1315303629 /nfs/dbraw/zinc/30/36/29/1315303629.db2.gz OHGJXHREDPKFLX-UHFFFAOYSA-N -1 0 345.409 2.994 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C#N)c1 ZINC001250997210 1315308461 /nfs/dbraw/zinc/30/84/61/1315308461.db2.gz NXYUWYNBZKSDAR-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C#N)c1 ZINC001251011617 1315310528 /nfs/dbraw/zinc/31/05/28/1315310528.db2.gz ABJFYDDVVARAIK-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001251705177 1315369055 /nfs/dbraw/zinc/36/90/55/1315369055.db2.gz YWFKMFONWMUVCO-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cnc1Cl ZINC001251908949 1315386263 /nfs/dbraw/zinc/38/62/63/1315386263.db2.gz PUIDUXIJXOOGIJ-UHFFFAOYSA-N -1 0 337.788 2.747 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)C(F)(F)F ZINC001252347150 1315437400 /nfs/dbraw/zinc/43/74/00/1315437400.db2.gz LCICVANGUHVMOW-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001252364542 1315439623 /nfs/dbraw/zinc/43/96/23/1315439623.db2.gz NKNBEEOZSPENGD-UHFFFAOYSA-N -1 0 334.197 2.718 20 30 EFEDRM O=S(=O)([N-]Cc1cc(F)ccc1C(F)(F)F)C(F)(F)F ZINC001252378335 1315441775 /nfs/dbraw/zinc/44/17/75/1315441775.db2.gz IQFXAMBGPDGGLP-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000316502554 1315466862 /nfs/dbraw/zinc/46/68/62/1315466862.db2.gz SASRQNKVZYCRPZ-JTQLQIEISA-N -1 0 338.212 2.691 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001252963848 1315543093 /nfs/dbraw/zinc/54/30/93/1315543093.db2.gz OKFOADQMNAGZNT-BQYQJAHWSA-N -1 0 348.405 2.819 20 30 EFEDRM CCCCCCCCCC[C@H](O)C[NH2+]CCOP(=O)([O-])[O-] ZINC001252987350 1315546618 /nfs/dbraw/zinc/54/66/18/1315546618.db2.gz RLFQXSDCHIKNEH-AWEZNQCLSA-N -1 0 325.386 2.577 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1cncc(Br)c1)O2 ZINC001253685745 1315627655 /nfs/dbraw/zinc/62/76/55/1315627655.db2.gz PEPQEFUDYYFEOJ-UHFFFAOYSA-N -1 0 348.156 2.859 20 30 EFEDRM CCCCS(=O)(=O)[N-]c1c(C#N)c(SC)sc1C(=O)OC ZINC001253782941 1315638007 /nfs/dbraw/zinc/63/80/07/1315638007.db2.gz ZSDYUYTVSYLBGF-UHFFFAOYSA-N -1 0 348.471 2.670 20 30 EFEDRM CCCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001253787180 1315638444 /nfs/dbraw/zinc/63/84/44/1315638444.db2.gz VNPVEPJUJFDZHP-UHFFFAOYSA-N -1 0 338.820 2.939 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)ccc(C)c1C#N ZINC001254057535 1315669917 /nfs/dbraw/zinc/66/99/17/1315669917.db2.gz YYPZNUPTFTWOCP-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C#CCOc1cccc(OCc2cn(-c3ccc(C(=O)[O-])cc3)nn2)c1 ZINC001254098560 1315672766 /nfs/dbraw/zinc/67/27/66/1315672766.db2.gz BZUKRPPBTFVOLM-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccccc1C ZINC001254625991 1315733192 /nfs/dbraw/zinc/73/31/92/1315733192.db2.gz LWCLBGZZRKHJOA-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001256551001 1315955132 /nfs/dbraw/zinc/95/51/32/1315955132.db2.gz MDEOLQDILWUSJM-PSASIEDQSA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001256551006 1315955310 /nfs/dbraw/zinc/95/53/10/1315955310.db2.gz MDEOLQDILWUSJM-SCZZXKLOSA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)[O-] ZINC001256550940 1315955609 /nfs/dbraw/zinc/95/56/09/1315955609.db2.gz LZEPMLFODLUDGG-HNNXBMFYSA-N -1 0 325.368 2.609 20 30 EFEDRM C=CC[C@@H](NC(=O)CSc1cccc(Br)c1)C(=O)[O-] ZINC001256560806 1315958563 /nfs/dbraw/zinc/95/85/63/1315958563.db2.gz VLQPUPFZKOEEEH-LLVKDONJSA-N -1 0 344.230 2.687 20 30 EFEDRM C=CC[C@H](NC(=O)c1[nH]c2ccccc2c1Br)C(=O)[O-] ZINC001256560717 1315958568 /nfs/dbraw/zinc/95/85/68/1315958568.db2.gz SMQONFOARJUCIQ-JTQLQIEISA-N -1 0 337.173 2.690 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC001256559766 1315958893 /nfs/dbraw/zinc/95/88/93/1315958893.db2.gz GOBGSBOWRKMLMN-LBPRGKRZSA-N -1 0 327.302 2.883 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cn1 ZINC001256580700 1315963414 /nfs/dbraw/zinc/96/34/14/1315963414.db2.gz IBLVQPBPLHYNNI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C#N)cc1OC ZINC001257083138 1316031684 /nfs/dbraw/zinc/03/16/84/1316031684.db2.gz HBJYZOFIFRQEMR-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257197001 1316045566 /nfs/dbraw/zinc/04/55/66/1316045566.db2.gz VSYVDAOJIHIXSV-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001257920921 1316104099 /nfs/dbraw/zinc/10/40/99/1316104099.db2.gz XJOGMKJPIGUJMX-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2csc(Br)n2)cc1 ZINC001258039501 1316114625 /nfs/dbraw/zinc/11/46/25/1316114625.db2.gz SZASEVGITQYSTQ-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)cnc2c1 ZINC001258039504 1316114753 /nfs/dbraw/zinc/11/47/53/1316114753.db2.gz SZUMARXSGLQMDM-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)cc1 ZINC001258045605 1316114964 /nfs/dbraw/zinc/11/49/64/1316114964.db2.gz QDEIHOMJWZXCEP-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)(F)F)cc1 ZINC001258045237 1316115274 /nfs/dbraw/zinc/11/52/74/1316115274.db2.gz GYPQUTCLGJJUKI-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnn2)cc1 ZINC001258053975 1316115783 /nfs/dbraw/zinc/11/57/83/1316115783.db2.gz UFTMQYMTYGPSSZ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(OC)c1F ZINC001258132157 1316123098 /nfs/dbraw/zinc/12/30/98/1316123098.db2.gz FXASIVJMBVCGDS-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1cc(C)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258136260 1316123851 /nfs/dbraw/zinc/12/38/51/1316123851.db2.gz RQRWNIYWMGEAJZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC001258185542 1316128939 /nfs/dbraw/zinc/12/89/39/1316128939.db2.gz TYYUUXPFECNACQ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(C)c1c(Cl)ncnc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258214369 1316132132 /nfs/dbraw/zinc/13/21/32/1316132132.db2.gz BDTJETMSVGOBOZ-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258214643 1316132155 /nfs/dbraw/zinc/13/21/55/1316132155.db2.gz LMXYFOCYLJQCJU-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM CC(C)c1cc2ncc([N-]S(=O)(=O)c3ccccc3C#N)cn2n1 ZINC001258214361 1316132157 /nfs/dbraw/zinc/13/21/57/1316132157.db2.gz ATDTZCRBJLEIPE-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC001258274013 1316135819 /nfs/dbraw/zinc/13/58/19/1316135819.db2.gz XSKDENUXGLQMKD-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1 ZINC001258278880 1316136190 /nfs/dbraw/zinc/13/61/90/1316136190.db2.gz JNJLDDHFNZRNSV-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1C(=O)CCC2 ZINC001258282837 1316136220 /nfs/dbraw/zinc/13/62/20/1316136220.db2.gz BITNEDRQQHUDIP-UHFFFAOYSA-N -1 0 326.377 2.878 20 30 EFEDRM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccccc2C#N)cc1C ZINC001258283143 1316136316 /nfs/dbraw/zinc/13/63/16/1316136316.db2.gz KXILRFTUESGTFE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1cc(=O)[nH]c2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc12 ZINC001258278907 1316136445 /nfs/dbraw/zinc/13/64/45/1316136445.db2.gz LLGZTMCWYVZEEP-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2nc(C#N)sc2c1 ZINC001258650989 1316170163 /nfs/dbraw/zinc/17/01/63/1316170163.db2.gz UIHDNHRTLURASP-UHFFFAOYSA-N -1 0 334.382 2.574 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(Cl)cc1C ZINC000796634659 1316181966 /nfs/dbraw/zinc/18/19/66/1316181966.db2.gz ZSTSUTLGNCSKII-AWEZNQCLSA-N -1 0 336.819 2.822 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1C ZINC001258932439 1316193568 /nfs/dbraw/zinc/19/35/68/1316193568.db2.gz XGECAEZEOAOWQH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001258936305 1316194073 /nfs/dbraw/zinc/19/40/73/1316194073.db2.gz BLMXFUJSYWYEDV-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC001258942193 1316194393 /nfs/dbraw/zinc/19/43/93/1316194393.db2.gz OBKUPVHNTPVRBD-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258942443 1316194824 /nfs/dbraw/zinc/19/48/24/1316194824.db2.gz WXBSCRUZEUNELR-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c(OC)c1 ZINC001258951502 1316196232 /nfs/dbraw/zinc/19/62/32/1316196232.db2.gz LMYKFCNVGABEQD-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c(OC)c1 ZINC001258959322 1316197450 /nfs/dbraw/zinc/19/74/50/1316197450.db2.gz UHSJMRJUBTVQFB-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](C#N)c1ccccc1)C(=O)C2 ZINC001258978087 1316198476 /nfs/dbraw/zinc/19/84/76/1316198476.db2.gz AXMKISZFHQQWDI-RVKKMQEKSA-N -1 0 346.452 2.566 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@H](C#N)c1ccccc1)C(=O)C2 ZINC001258978086 1316198569 /nfs/dbraw/zinc/19/85/69/1316198569.db2.gz AXMKISZFHQQWDI-IIDMSEBBSA-N -1 0 346.452 2.566 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259039851 1316200822 /nfs/dbraw/zinc/20/08/22/1316200822.db2.gz QMZDXRPSATTYOL-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259040486 1316201017 /nfs/dbraw/zinc/20/10/17/1316201017.db2.gz NKNXKMHYOXOCQZ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ccn1 ZINC001259046218 1316201919 /nfs/dbraw/zinc/20/19/19/1316201919.db2.gz QMKVJXFKEHGDRB-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cn1 ZINC001259053751 1316202647 /nfs/dbraw/zinc/20/26/47/1316202647.db2.gz AGFAUECWXSHNSE-UHFFFAOYSA-N -1 0 343.227 2.688 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259053454 1316202800 /nfs/dbraw/zinc/20/28/00/1316202800.db2.gz RXAGOOALCHFJTE-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259074709 1316205392 /nfs/dbraw/zinc/20/53/92/1316205392.db2.gz NUWLOISIRAAAJV-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Cl)c1 ZINC001259073464 1316205476 /nfs/dbraw/zinc/20/54/76/1316205476.db2.gz BHIRMKWPBOVVAV-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259080986 1316206229 /nfs/dbraw/zinc/20/62/29/1316206229.db2.gz QSBFPDOEYGPKHG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc21 ZINC001259106474 1316210347 /nfs/dbraw/zinc/21/03/47/1316210347.db2.gz SFPNMYZWVSJIDZ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1cnc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c21 ZINC001259113179 1316210928 /nfs/dbraw/zinc/21/09/28/1316210928.db2.gz IHLUEFTXYGMUGF-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)c(Cl)c1 ZINC001259112832 1316211270 /nfs/dbraw/zinc/21/12/70/1316211270.db2.gz MSAZCBIBRYMAOA-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnc(OC(F)(F)F)c2)c1 ZINC001259118634 1316211794 /nfs/dbraw/zinc/21/17/94/1316211794.db2.gz MZEHKBXPDWRTEC-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccncn3)cs2)c1 ZINC001259118533 1316211923 /nfs/dbraw/zinc/21/19/23/1316211923.db2.gz RMZXCZAJWSSCRU-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259125341 1316212347 /nfs/dbraw/zinc/21/23/47/1316212347.db2.gz WLLYBSDYHHAXED-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC001259158035 1316213971 /nfs/dbraw/zinc/21/39/71/1316213971.db2.gz KVGQDQNRVKZZRJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(C#N)c1 ZINC001259176488 1316215090 /nfs/dbraw/zinc/21/50/90/1316215090.db2.gz BYCFKPCNJIHHDE-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1C#N ZINC001259177253 1316215208 /nfs/dbraw/zinc/21/52/08/1316215208.db2.gz MRWUZTTVFLPLHI-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c1 ZINC001259190462 1316217838 /nfs/dbraw/zinc/21/78/38/1316217838.db2.gz IWZRHZQSGQISMT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2OC)ccc1C#N ZINC001259204504 1316219754 /nfs/dbraw/zinc/21/97/54/1316219754.db2.gz RPIOBCKXWTZUKB-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)nc1 ZINC001259294577 1316226175 /nfs/dbraw/zinc/22/61/75/1316226175.db2.gz BEHWBKDHPGMEJE-UHFFFAOYSA-N -1 0 331.397 2.692 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001259300501 1316226925 /nfs/dbraw/zinc/22/69/25/1316226925.db2.gz LHWGXPSJBQKNIL-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259307065 1316228238 /nfs/dbraw/zinc/22/82/38/1316228238.db2.gz HKKMNCNWPLZWCR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccn1 ZINC001259331682 1316230703 /nfs/dbraw/zinc/23/07/03/1316230703.db2.gz GMZZXAURNWYNIL-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C#N ZINC001259332270 1316230851 /nfs/dbraw/zinc/23/08/51/1316230851.db2.gz PCMLBFYYDNHSCV-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC001259331487 1316230904 /nfs/dbraw/zinc/23/09/04/1316230904.db2.gz JKKIXPJNYWBZRL-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356593 1316232381 /nfs/dbraw/zinc/23/23/81/1316232381.db2.gz LOSTUXUDEMSKJC-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F ZINC001259369675 1316233841 /nfs/dbraw/zinc/23/38/41/1316233841.db2.gz NXQHSRBLWRGSMI-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391771 1316236412 /nfs/dbraw/zinc/23/64/12/1316236412.db2.gz GMJSMCISQUDDQI-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391838 1316236865 /nfs/dbraw/zinc/23/68/65/1316236865.db2.gz HSXCUHSMERRCAG-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC001259396538 1316237527 /nfs/dbraw/zinc/23/75/27/1316237527.db2.gz HRFFTLPKMIWLLU-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cc1 ZINC001259402735 1316238374 /nfs/dbraw/zinc/23/83/74/1316238374.db2.gz KGLPDOSEVXLFFU-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2csc3nccnc23)ccc1F ZINC001259412985 1316239112 /nfs/dbraw/zinc/23/91/12/1316239112.db2.gz XLAIUQWWMSSOCC-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)ccc1F ZINC001259412869 1316239128 /nfs/dbraw/zinc/23/91/28/1316239128.db2.gz UUCYAXAXAFMWPV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)ccc1F ZINC001259410869 1316239300 /nfs/dbraw/zinc/23/93/00/1316239300.db2.gz CLHGXJPYORTIPA-UHFFFAOYSA-N -1 0 335.291 2.778 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)ccc1F ZINC001259412258 1316239372 /nfs/dbraw/zinc/23/93/72/1316239372.db2.gz XRSNDTCZCYEYNI-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n(C(C)(C)C)n1 ZINC001259412255 1316239511 /nfs/dbraw/zinc/23/95/11/1316239511.db2.gz XNDNLQRMRWBXRV-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417487 1316239748 /nfs/dbraw/zinc/23/97/48/1316239748.db2.gz TVLBIAOHDUIPCA-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417895 1316240328 /nfs/dbraw/zinc/24/03/28/1316240328.db2.gz UWUYKHNDGDCXHD-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418766 1316240334 /nfs/dbraw/zinc/24/03/34/1316240334.db2.gz QHCOZDZBODJCHM-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259445173 1316244262 /nfs/dbraw/zinc/24/42/62/1316244262.db2.gz QVQFKGYWVOCSNS-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)cc1F ZINC001259474156 1316248374 /nfs/dbraw/zinc/24/83/74/1316248374.db2.gz KDZDXXNLYNMPSB-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001259486903 1316250051 /nfs/dbraw/zinc/25/00/51/1316250051.db2.gz QAJVINXQPQEQFU-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259491133 1316250879 /nfs/dbraw/zinc/25/08/79/1316250879.db2.gz KFRWFLYDCVIVPV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259499916 1316252048 /nfs/dbraw/zinc/25/20/48/1316252048.db2.gz AECUEHZANWTTOS-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259500473 1316252121 /nfs/dbraw/zinc/25/21/21/1316252121.db2.gz WHUWSANVPYNCAH-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259500231 1316252182 /nfs/dbraw/zinc/25/21/82/1316252182.db2.gz KRZKQOPEWMOQKH-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259511687 1316254160 /nfs/dbraw/zinc/25/41/60/1316254160.db2.gz AUMYAELQYJXINQ-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cc(C)cc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001259516150 1316254588 /nfs/dbraw/zinc/25/45/88/1316254588.db2.gz GPRXXLTWWLLECZ-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccnc2)ccc1N1CCCCC1 ZINC001259608175 1316260962 /nfs/dbraw/zinc/26/09/62/1316260962.db2.gz VZKIKHXLXOMDCC-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1cccnc1 ZINC001259607916 1316261176 /nfs/dbraw/zinc/26/11/76/1316261176.db2.gz MXNMXNPRGAQBMV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC001259738613 1316270330 /nfs/dbraw/zinc/27/03/30/1316270330.db2.gz KKGNBBDVKZVEDI-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C#N)cn1 ZINC001259839536 1316285788 /nfs/dbraw/zinc/28/57/88/1316285788.db2.gz FPYMPMGHNBJENU-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM COc1ccc(CS(=O)(=O)Nc2cc(F)c(C#N)cc2F)cc1 ZINC001259899077 1316294291 /nfs/dbraw/zinc/29/42/91/1316294291.db2.gz DHULUJZERLKBLX-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2ccc(OC)cc2C#N)cc1 ZINC001259899770 1316294847 /nfs/dbraw/zinc/29/48/47/1316294847.db2.gz XAYXTGGKQSYXNM-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1 ZINC001259900380 1316295057 /nfs/dbraw/zinc/29/50/57/1316295057.db2.gz SBWFIFZUKUYFSQ-UHFFFAOYSA-N -1 0 344.392 2.711 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)c(C#N)c1 ZINC001259989185 1316304163 /nfs/dbraw/zinc/30/41/63/1316304163.db2.gz MLRHAYDZUIXCJR-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260004570 1316305192 /nfs/dbraw/zinc/30/51/92/1316305192.db2.gz GAFDYVZEPIYAEH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2C)cc1OC ZINC001260021967 1316308022 /nfs/dbraw/zinc/30/80/22/1316308022.db2.gz WDFSFUKQKTYKQY-UHFFFAOYSA-N -1 0 346.408 2.826 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccn3)no2)cc1 ZINC001260038385 1316310173 /nfs/dbraw/zinc/31/01/73/1316310173.db2.gz DHJJYEFRIFJKPN-UHFFFAOYSA-N -1 0 340.364 2.550 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043951 1316310773 /nfs/dbraw/zinc/31/07/73/1316310773.db2.gz TYKCLYLJBRXWCP-UHFFFAOYSA-N -1 0 336.376 2.552 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044746 1316310778 /nfs/dbraw/zinc/31/07/78/1316310778.db2.gz JWSBUFSHTLEVJU-UHFFFAOYSA-N -1 0 344.392 2.711 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1sccc1C ZINC001260062338 1316311889 /nfs/dbraw/zinc/31/18/89/1316311889.db2.gz DSDVZTNFNXYQBZ-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2sccc2C)ccc1C#N ZINC001260068806 1316312589 /nfs/dbraw/zinc/31/25/89/1316312589.db2.gz RWPRCMUTHUFZSM-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2sccc2C)c1 ZINC001260069306 1316313215 /nfs/dbraw/zinc/31/32/15/1316313215.db2.gz VKRXAERYLQPEPE-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)cnc1C#N ZINC001260197703 1316322690 /nfs/dbraw/zinc/32/26/90/1316322690.db2.gz LEFNQZHCIPNAOR-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001260292356 1316329379 /nfs/dbraw/zinc/32/93/79/1316329379.db2.gz ZGOGTACQFSOIRN-UHFFFAOYSA-N -1 0 349.412 2.962 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001260382471 1316336030 /nfs/dbraw/zinc/33/60/30/1316336030.db2.gz PTZCOEAAJMQDIM-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260440758 1316338388 /nfs/dbraw/zinc/33/83/88/1316338388.db2.gz KCDVYAZUAWGTHR-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cc1 ZINC001260566746 1316346115 /nfs/dbraw/zinc/34/61/15/1316346115.db2.gz AWXGJTJXDWMBQY-UHFFFAOYSA-N -1 0 330.413 2.882 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2cnccc2C#N)cc1 ZINC001260572971 1316347167 /nfs/dbraw/zinc/34/71/67/1316347167.db2.gz ITEYQSHIAUHEEI-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2OC)cc1C ZINC001260638127 1316352345 /nfs/dbraw/zinc/35/23/45/1316352345.db2.gz OTUCSJFCBCXMBP-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001260643308 1316353185 /nfs/dbraw/zinc/35/31/85/1316353185.db2.gz CTZHWZWCVATZCT-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001260650030 1316353805 /nfs/dbraw/zinc/35/38/05/1316353805.db2.gz QRWZFTIUQUZXJF-UHFFFAOYSA-N -1 0 345.355 2.687 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c1C#N ZINC001260650569 1316354274 /nfs/dbraw/zinc/35/42/74/1316354274.db2.gz DSFXIJVKDYSKCQ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001260651565 1316354609 /nfs/dbraw/zinc/35/46/09/1316354609.db2.gz DCXHKFUFHBKFOS-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1C#N ZINC001260684226 1316358772 /nfs/dbraw/zinc/35/87/72/1316358772.db2.gz IGYKIZYKVYBQSJ-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C)cnc1C#N ZINC001260765989 1316366592 /nfs/dbraw/zinc/36/65/92/1316366592.db2.gz ZVRCCXVBWKCPFU-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001260772942 1316367300 /nfs/dbraw/zinc/36/73/00/1316367300.db2.gz KAWNIOYVSMQQRR-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001260771620 1316367361 /nfs/dbraw/zinc/36/73/61/1316367361.db2.gz TUNONILPMRIOPH-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC001260818939 1316371748 /nfs/dbraw/zinc/37/17/48/1316371748.db2.gz FOXCHXOWHRBXFS-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001260838084 1316373544 /nfs/dbraw/zinc/37/35/44/1316373544.db2.gz LBMOJIJQQNGLIQ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#CC1CCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001260867920 1316374796 /nfs/dbraw/zinc/37/47/96/1316374796.db2.gz LHLRUDYDSJYJNI-UHFFFAOYSA-N -1 0 335.212 2.623 20 30 EFEDRM C#CC1CCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC001260873797 1316374908 /nfs/dbraw/zinc/37/49/08/1316374908.db2.gz GTFYZLDJADCOBL-UHFFFAOYSA-N -1 0 334.224 2.733 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001260890327 1316375689 /nfs/dbraw/zinc/37/56/89/1316375689.db2.gz IPHWMNXCHAEWMO-UHFFFAOYSA-N -1 0 331.275 2.507 20 30 EFEDRM N#Cc1c2ccc(Cl)cc2sc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260954633 1316377918 /nfs/dbraw/zinc/37/79/18/1316377918.db2.gz VUNKWQFJONKWPU-UHFFFAOYSA-N -1 0 338.801 2.950 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC001260978597 1316379901 /nfs/dbraw/zinc/37/99/01/1316379901.db2.gz VGCNJFLTPIFENF-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260978752 1316380521 /nfs/dbraw/zinc/38/05/21/1316380521.db2.gz ZBXKCOPMZJRXAQ-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261066615 1316387636 /nfs/dbraw/zinc/38/76/36/1316387636.db2.gz FSYBUBLYURJTBC-UHFFFAOYSA-N -1 0 340.773 2.610 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC001261078126 1316388624 /nfs/dbraw/zinc/38/86/24/1316388624.db2.gz XYZRSEQKJDIIDO-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNCC1CCOCC1 ZINC001261235757 1316398141 /nfs/dbraw/zinc/39/81/41/1316398141.db2.gz HGBOMDVCSWPTRM-OAHLLOKOSA-N -1 0 348.443 2.863 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1ccc(C)cc1=O ZINC001263137647 1316517828 /nfs/dbraw/zinc/51/78/28/1316517828.db2.gz NTQKQRFNNOIKDX-OAHLLOKOSA-N -1 0 347.374 2.538 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1ccncc1 ZINC001263138040 1316518109 /nfs/dbraw/zinc/51/81/09/1316518109.db2.gz ARPUOBUYJMJMFI-MRXNPFEDSA-N -1 0 347.374 2.980 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263291309 1316527837 /nfs/dbraw/zinc/52/78/37/1316527837.db2.gz RWPYZQWKFYBCFL-LBPRGKRZSA-N -1 0 336.376 2.966 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@H](C)[C@H]1C ZINC001263323633 1316530489 /nfs/dbraw/zinc/53/04/89/1316530489.db2.gz VOMPYHARRIMWKG-GHMZBOCLSA-N -1 0 335.433 2.545 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(=C)CC1 ZINC001263344321 1316534649 /nfs/dbraw/zinc/53/46/49/1316534649.db2.gz BVABJOKMDWJXOT-UHFFFAOYSA-N -1 0 328.420 2.600 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)n1 ZINC001263375417 1316538997 /nfs/dbraw/zinc/53/89/97/1316538997.db2.gz OPHAXJOHDGURRK-CQSZACIVSA-N -1 0 326.400 2.662 20 30 EFEDRM Cc1ccc(C)n1-c1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C ZINC001263377611 1316539424 /nfs/dbraw/zinc/53/94/24/1316539424.db2.gz HCHOTGUQRLDRQM-CYBMUJFWSA-N -1 0 337.358 2.852 20 30 EFEDRM C#CC[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001263380748 1316539626 /nfs/dbraw/zinc/53/96/26/1316539626.db2.gz ZLCFHRADALRDGV-SECBINFHSA-N -1 0 335.303 2.517 20 30 EFEDRM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263386580 1316540631 /nfs/dbraw/zinc/54/06/31/1316540631.db2.gz XOZUBHGBXLSJEK-WDEREUQCSA-N -1 0 331.372 2.980 20 30 EFEDRM CCS(=O)(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001318681351 1328668407 /nfs/dbraw/zinc/66/84/07/1328668407.db2.gz JOSXDFVHPYJTTI-UHFFFAOYSA-N -1 0 334.353 2.845 20 30 EFEDRM COC(=O)c1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)o1 ZINC001319841903 1329010588 /nfs/dbraw/zinc/01/05/88/1329010588.db2.gz AYXUMSJDMRPXGQ-UHFFFAOYSA-N -1 0 349.686 2.752 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)cc1 ZINC001319846600 1329011866 /nfs/dbraw/zinc/01/18/66/1329011866.db2.gz TUZQXLPDCNJROR-UHFFFAOYSA-N -1 0 346.346 2.889 20 30 EFEDRM Cn1c(C=NN[C@@H]2CCCC2(C)C)c(Br)cc1C(=O)[O-] ZINC001321023884 1329332791 /nfs/dbraw/zinc/33/27/91/1329332791.db2.gz HCTOEHSKKJRFMM-GFCCVEGCSA-N -1 0 342.237 2.988 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cccc(-n2nc(C)cc2C)c1)C(=O)[O-] ZINC001321145772 1329349157 /nfs/dbraw/zinc/34/91/57/1329349157.db2.gz ZDECSKGIVCZTEI-OAHLLOKOSA-N -1 0 328.372 2.640 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC001321206300 1329356477 /nfs/dbraw/zinc/35/64/77/1329356477.db2.gz MZKAEKKORJBVAF-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CC[C@H](NC(=O)/C=C(/C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001321206776 1329356569 /nfs/dbraw/zinc/35/65/69/1329356569.db2.gz RSMNKLVDKCPFMU-PRDAAYKISA-N -1 0 325.311 2.837 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1CCC)C(=O)[O-] ZINC001321340246 1329375170 /nfs/dbraw/zinc/37/51/70/1329375170.db2.gz NBMFVCMBSVRCSU-INIZCTEOSA-N -1 0 341.411 2.643 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1cc(Cl)ccc1OCC)C(=O)[O-] ZINC001321582917 1329396921 /nfs/dbraw/zinc/39/69/21/1329396921.db2.gz KFQRZFZFXJRNJD-CYBMUJFWSA-N -1 0 340.807 2.610 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001321657408 1329401560 /nfs/dbraw/zinc/40/15/60/1329401560.db2.gz GVSTTWUWVSGASN-DLBZAZTESA-N -1 0 325.364 2.952 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)[O-] ZINC001321658763 1329401695 /nfs/dbraw/zinc/40/16/95/1329401695.db2.gz WDAUBPVYKROMNM-LBPRGKRZSA-N -1 0 338.201 2.626 20 30 EFEDRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2C#N)C1(C)C ZINC001321707336 1329404245 /nfs/dbraw/zinc/40/42/45/1329404245.db2.gz ZPKJLSPADPDKBW-HIFRSBDPSA-N -1 0 332.425 2.602 20 30 EFEDRM C=CC[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001322603149 1329471493 /nfs/dbraw/zinc/47/14/93/1329471493.db2.gz XKMHIGATILKVIW-CQSZACIVSA-N -1 0 348.399 2.561 20 30 EFEDRM CC[C@H](NN=Cc1ccc(OC(F)F)cc1OC(F)F)C(=O)[O-] ZINC001324099683 1329599874 /nfs/dbraw/zinc/59/98/74/1329599874.db2.gz AUDJQKUYKUMBAB-VIFPVBQESA-N -1 0 338.257 2.676 20 30 EFEDRM CC(=NNC(=S)NC(C)C)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC001324191814 1329606738 /nfs/dbraw/zinc/60/67/38/1329606738.db2.gz QCXVLJJCFDZGNV-UHFFFAOYSA-N -1 0 347.440 2.965 20 30 EFEDRM COc1cc(C(C)N=Nc2ccn(C)n2)ccc1OCCCC(=O)[O-] ZINC001324206990 1329608119 /nfs/dbraw/zinc/60/81/19/1329608119.db2.gz GPFNZORKFZYSJF-UHFFFAOYSA-N -1 0 346.387 2.508 20 30 EFEDRM C=CC[C@H](NC(=O)NCC1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC001325062634 1329668451 /nfs/dbraw/zinc/66/84/51/1329668451.db2.gz BSKRUALTDQHAQX-HNNXBMFYSA-N -1 0 334.391 2.966 20 30 EFEDRM C=CC[C@@H](NC(=O)NCC1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC001325062636 1329668522 /nfs/dbraw/zinc/66/85/22/1329668522.db2.gz BSKRUALTDQHAQX-OAHLLOKOSA-N -1 0 334.391 2.966 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1 ZINC001325215979 1329675726 /nfs/dbraw/zinc/67/57/26/1329675726.db2.gz DVISHFKHMLDFKE-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC001325318638 1329679597 /nfs/dbraw/zinc/67/95/97/1329679597.db2.gz IVEJJOAIWZHORI-UHFFFAOYSA-N -1 0 347.440 2.506 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001326736072 1330356826 /nfs/dbraw/zinc/35/68/26/1330356826.db2.gz OMWCWPQGWPYZCZ-CABZTGNLSA-N -1 0 346.305 2.975 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001327013322 1330399140 /nfs/dbraw/zinc/39/91/40/1330399140.db2.gz JXQNWZNVDZEHKR-GFCCVEGCSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)[O-] ZINC001327013785 1330399837 /nfs/dbraw/zinc/39/98/37/1330399837.db2.gz ODPKRHKUHXXGSQ-HNNXBMFYSA-N -1 0 343.379 2.836 20 30 EFEDRM N#CC1(CC(=O)OCC(=O)[N-]OCc2ccccc2)CCCCC1 ZINC001327183748 1330437698 /nfs/dbraw/zinc/43/76/98/1330437698.db2.gz LLCLZBLPHVSNPJ-UHFFFAOYSA-N -1 0 330.384 2.642 20 30 EFEDRM CC(C)(C)c1ccc(NN=C2C(=O)Nc3cc([O-])c(Cl)cc32)nn1 ZINC001328539390 1330600956 /nfs/dbraw/zinc/60/09/56/1330600956.db2.gz UPDBVFPSTSNGKC-UHFFFAOYSA-N -1 0 345.790 2.901 20 30 EFEDRM Cn1c(C=Nn2cnc3ccccc32)c(Br)cc1C(=O)[O-] ZINC001328550480 1330601905 /nfs/dbraw/zinc/60/19/05/1330601905.db2.gz GVSSSGPWDZVERL-UHFFFAOYSA-N -1 0 347.172 2.718 20 30 EFEDRM C#C[C@@H](CC)NC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001328608881 1330607788 /nfs/dbraw/zinc/60/77/88/1330607788.db2.gz ZBPXRYZSDRWGPF-NSHDSACASA-N -1 0 332.429 2.730 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ccc(C(C)(C)C)nn1)O2 ZINC001328716139 1330619838 /nfs/dbraw/zinc/61/98/38/1330619838.db2.gz QPSJKGUWVGYZLC-UHFFFAOYSA-N -1 0 326.356 2.789 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C/Sc1ccccc1 ZINC001328917258 1330646693 /nfs/dbraw/zinc/64/66/93/1330646693.db2.gz QZJWMRZKKPEADI-ZHACJKMWSA-N -1 0 344.417 2.669 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332614312 1330990020 /nfs/dbraw/zinc/99/00/20/1330990020.db2.gz WOCBHSYWZHTOMF-BXKDBHETSA-N -1 0 331.290 2.618 20 30 EFEDRM Nc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1Cl ZINC001335500405 1331361239 /nfs/dbraw/zinc/36/12/39/1331361239.db2.gz VYHBGRBSMFGXEW-UHFFFAOYSA-N -1 0 330.800 2.803 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001337551942 1331584476 /nfs/dbraw/zinc/58/44/76/1331584476.db2.gz SSUHSSAGHAJHSP-CYBMUJFWSA-N -1 0 343.452 2.642 20 30 EFEDRM N#Cc1cc(Cl)nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001337974613 1331625766 /nfs/dbraw/zinc/62/57/66/1331625766.db2.gz RGAKTICJGAQPRW-UHFFFAOYSA-N -1 0 346.740 2.502 20 30 EFEDRM C=CC[C@@H](NC(=O)NCC1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC001339748628 1331949765 /nfs/dbraw/zinc/94/97/65/1331949765.db2.gz ZZGFZMXKNPNOOI-MRXNPFEDSA-N -1 0 346.427 2.836 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(Cl)cc1OCC)C(=O)[O-] ZINC001339754059 1331951101 /nfs/dbraw/zinc/95/11/01/1331951101.db2.gz JRXVPFKDGTWSJW-LBPRGKRZSA-N -1 0 326.780 2.567 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1 ZINC001339878101 1332107866 /nfs/dbraw/zinc/10/78/66/1332107866.db2.gz JVJGEKKOPSFATN-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)C[C@H](C)CC ZINC001340206992 1332154245 /nfs/dbraw/zinc/15/42/45/1332154245.db2.gz HMOPDAJYZOLGSR-CYBMUJFWSA-N -1 0 332.452 2.926 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccsc1 ZINC001340331029 1332175687 /nfs/dbraw/zinc/17/56/87/1332175687.db2.gz HAPFOZGUPCZALL-UHFFFAOYSA-N -1 0 344.444 2.751 20 30 EFEDRM C=C1CCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2CC)CC1 ZINC001340864625 1332214933 /nfs/dbraw/zinc/21/49/33/1332214933.db2.gz GVCMFQGLAPHTLG-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC001341215108 1332244004 /nfs/dbraw/zinc/24/40/04/1332244004.db2.gz RTJHPZNNLXBARW-UHFFFAOYSA-N -1 0 327.727 2.664 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(-c2cccc(C)c2)c1 ZINC001342032594 1332296349 /nfs/dbraw/zinc/29/63/49/1332296349.db2.gz GNJGQOMSNUXPDR-GOSISDBHSA-N -1 0 336.391 2.747 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001342249387 1332324134 /nfs/dbraw/zinc/32/41/34/1332324134.db2.gz ZGVSCRWMGBFTHJ-ZIAGYGMSSA-N -1 0 344.463 2.926 20 30 EFEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2n1 ZINC001343429092 1332347558 /nfs/dbraw/zinc/34/75/58/1332347558.db2.gz RHQLRKCTANQXAD-CYBMUJFWSA-N -1 0 344.378 2.723 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)c(C)cc1C ZINC001343484047 1332350316 /nfs/dbraw/zinc/35/03/16/1332350316.db2.gz MFPBBDSJZIRTGJ-LBPRGKRZSA-N -1 0 335.201 2.691 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001343509373 1332352764 /nfs/dbraw/zinc/35/27/64/1332352764.db2.gz PBLDJBPLYRRCEX-CHWSQXEVSA-N -1 0 338.415 2.728 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 ZINC001343535659 1332354379 /nfs/dbraw/zinc/35/43/79/1332354379.db2.gz WOWNNWXXGAVSGL-CQSZACIVSA-N -1 0 337.466 2.567 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC=C(C)C1 ZINC001343600051 1332361146 /nfs/dbraw/zinc/36/11/46/1332361146.db2.gz RZDFJTPYCAYMSP-UHFFFAOYSA-N -1 0 336.399 2.650 20 30 EFEDRM C[C@H](Sc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC001343618312 1332363404 /nfs/dbraw/zinc/36/34/04/1332363404.db2.gz PMWVVIPDIGTFKS-GXFFZTMASA-N -1 0 331.372 2.632 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(C)=C(C)C1 ZINC001343786209 1332379982 /nfs/dbraw/zinc/37/99/82/1332379982.db2.gz CIXNRHHVTSSRDY-UHFFFAOYSA-N -1 0 342.447 2.990 20 30 EFEDRM Cc1nn(C)c(Br)c1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344035805 1332398826 /nfs/dbraw/zinc/39/88/26/1332398826.db2.gz PALLZRXHHVCYIE-QMMMGPOBSA-N -1 0 337.152 2.515 20 30 EFEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3cccc(F)n3)nn2)c1 ZINC001344034698 1332398882 /nfs/dbraw/zinc/39/88/82/1332398882.db2.gz HUZWCAZUJZGFKF-CYBMUJFWSA-N -1 0 339.305 2.739 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(Oc2nccc(C)n2)cc1)C(=O)[O-] ZINC001344464903 1332455681 /nfs/dbraw/zinc/45/56/81/1332455681.db2.gz OYQSSUFWOOAYMX-CQSZACIVSA-N -1 0 342.355 2.728 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1)C(=O)[O-] ZINC001344466038 1332455720 /nfs/dbraw/zinc/45/57/20/1332455720.db2.gz WOJOTNNMYOOLJG-CQSZACIVSA-N -1 0 346.362 2.779 20 30 EFEDRM C=CC[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001344555855 1332462864 /nfs/dbraw/zinc/46/28/64/1332462864.db2.gz LTQSUAMHAGDAFN-INIZCTEOSA-N -1 0 325.364 2.878 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001344556491 1332463249 /nfs/dbraw/zinc/46/32/49/1332463249.db2.gz OKGWVRWCDPKEAU-OAHLLOKOSA-N -1 0 344.367 2.630 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)C(=O)[O-] ZINC001344556571 1332463346 /nfs/dbraw/zinc/46/33/46/1332463346.db2.gz QWZNOYFXPGFCKB-OAHLLOKOSA-N -1 0 345.374 2.894 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc3c2OCC3)c1 ZINC001344571712 1332464067 /nfs/dbraw/zinc/46/40/67/1332464067.db2.gz SVLMCIWXBCTCCO-QGZVFWFLSA-N -1 0 334.375 2.569 20 30 EFEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC001344849755 1332487741 /nfs/dbraw/zinc/48/77/41/1332487741.db2.gz BSUDUKAQZSECSC-YPMHNXCESA-N -1 0 331.379 2.968 20 30 EFEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC001345730769 1332567555 /nfs/dbraw/zinc/56/75/55/1332567555.db2.gz QXNTWPMKEHAQGC-JTQLQIEISA-N -1 0 342.424 2.685 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CCC2)n1 ZINC001346078235 1332597122 /nfs/dbraw/zinc/59/71/22/1332597122.db2.gz SVBFQWKXSZIUHL-GFCCVEGCSA-N -1 0 339.351 2.912 20 30 EFEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001347064301 1332715517 /nfs/dbraw/zinc/71/55/17/1332715517.db2.gz WLGOQNBCMGHMGS-AWEZNQCLSA-N -1 0 347.378 2.884 20 30 EFEDRM N#CCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001347472836 1332748770 /nfs/dbraw/zinc/74/87/70/1332748770.db2.gz FZYLCKHDDWTEOV-UHFFFAOYSA-N -1 0 334.335 2.733 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001348314763 1332824600 /nfs/dbraw/zinc/82/46/00/1332824600.db2.gz AJMBKTOPUBHTLI-LBPRGKRZSA-N -1 0 331.759 2.529 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001352326175 1333471404 /nfs/dbraw/zinc/47/14/04/1333471404.db2.gz FNVYVVOGLDTRTN-GFCCVEGCSA-N -1 0 348.362 2.719 20 30 EFEDRM N#Cc1nc(NC(=O)c2ncsc2Nc2ccccc2)[n-]c1C#N ZINC001300044797 1333584894 /nfs/dbraw/zinc/58/48/94/1333584894.db2.gz MEVKODVVCXLUCB-UHFFFAOYSA-N -1 0 335.352 2.605 20 30 EFEDRM CCc1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)no2)cc1 ZINC001300044523 1333585018 /nfs/dbraw/zinc/58/50/18/1333585018.db2.gz HLGLGROCEDZSKE-UHFFFAOYSA-N -1 0 332.323 2.623 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC000847534401 1333856436 /nfs/dbraw/zinc/85/64/36/1333856436.db2.gz RXMREZOPQKYEEN-GFCCVEGCSA-N -1 0 338.379 2.811 20 30 EFEDRM Cn1ccnc1[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F ZINC000847615465 1334002270 /nfs/dbraw/zinc/00/22/70/1334002270.db2.gz DKRNUWLOQVOIOK-SNVBAGLBSA-N -1 0 338.289 2.672 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccccc2)s1 ZINC000847624671 1334023659 /nfs/dbraw/zinc/02/36/59/1334023659.db2.gz WLSXVBDNHGSZJS-AWEZNQCLSA-N -1 0 342.420 2.809 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-] ZINC001354295061 1334216797 /nfs/dbraw/zinc/21/67/97/1334216797.db2.gz WPVJXWVAQMFVRZ-CHWSQXEVSA-N -1 0 336.363 2.756 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200811690 1334581197 /nfs/dbraw/zinc/58/11/97/1334581197.db2.gz XZKNYHJOPOKKQM-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC(C)c1ccccc1NC(=S)NN=Cc1c(C(=O)[O-])cnn1C ZINC000848404064 1334708897 /nfs/dbraw/zinc/70/88/97/1334708897.db2.gz IWHONQMMLXLQNW-UHFFFAOYSA-N -1 0 345.428 2.562 20 30 EFEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000848415513 1334713055 /nfs/dbraw/zinc/71/30/55/1334713055.db2.gz MZAOAWHTIWCQQH-UHFFFAOYSA-N -1 0 339.395 2.596 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncc(Br)cn1 ZINC000848419703 1334714533 /nfs/dbraw/zinc/71/45/33/1334714533.db2.gz CMAJHMRNDALYQN-JGVFFNPUSA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncc(Br)cn1 ZINC000848419705 1334714640 /nfs/dbraw/zinc/71/46/40/1334714640.db2.gz CMAJHMRNDALYQN-YUMQZZPRSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC(F)CC1 ZINC001355941969 1334912931 /nfs/dbraw/zinc/91/29/31/1334912931.db2.gz OFHMXZMETSZKTL-UHFFFAOYSA-N -1 0 347.350 2.683 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001355989228 1334925768 /nfs/dbraw/zinc/92/57/68/1334925768.db2.gz BBEJAEPVVZFEFQ-LLVKDONJSA-N -1 0 336.307 2.918 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(CC(C)C)s1 ZINC001356220505 1334996727 /nfs/dbraw/zinc/99/67/27/1334996727.db2.gz IFIWPWXVLOOPSY-CQSZACIVSA-N -1 0 336.457 2.812 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000849237843 1335574731 /nfs/dbraw/zinc/57/47/31/1335574731.db2.gz IWPWYRKMRIRUDY-ZDUSSCGKSA-N -1 0 344.383 2.699 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cnc(Cl)cc1C#N)C1CCCC1 ZINC000849338350 1335594286 /nfs/dbraw/zinc/59/42/86/1335594286.db2.gz ZEFLAOHHOCKYLA-ZDUSSCGKSA-N -1 0 343.836 2.554 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OCC#N)cc2)cc1C#N ZINC001361303867 1335972712 /nfs/dbraw/zinc/97/27/12/1335972712.db2.gz QYZICOLHRXFIPN-UHFFFAOYSA-N -1 0 340.364 2.535 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2cc(F)ccc2F)cc1C#N ZINC001361401399 1336053993 /nfs/dbraw/zinc/05/39/93/1336053993.db2.gz NSILCZHAMQDCDW-UHFFFAOYSA-N -1 0 335.335 2.936 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001361782892 1336332927 /nfs/dbraw/zinc/33/29/27/1336332927.db2.gz OETWAXXKUWRGMQ-UHFFFAOYSA-N -1 0 340.364 2.513 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(Cl)cc2C)cc1C#N ZINC001361842009 1336369980 /nfs/dbraw/zinc/36/99/80/1336369980.db2.gz ILVPEOWIJKJQBJ-UHFFFAOYSA-N -1 0 334.788 2.990 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccccc2CCC(F)(F)F)[n-]c1C#N ZINC001363642400 1336969092 /nfs/dbraw/zinc/96/90/92/1336969092.db2.gz NSVZQFRODDWVQJ-UHFFFAOYSA-N -1 0 333.273 2.900 20 30 EFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)cc1C#N ZINC001363805166 1337059888 /nfs/dbraw/zinc/05/98/88/1337059888.db2.gz HDHIONMQWCVGLR-HZMBPMFUSA-N -1 0 343.324 2.729 20 30 EFEDRM N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2[O-])cc1 ZINC001363975285 1337133872 /nfs/dbraw/zinc/13/38/72/1337133872.db2.gz PGNGORFNEGFFFX-UHFFFAOYSA-N -1 0 328.393 2.617 20 30 EFEDRM Cn1c(=O)[n-]c(NCC2(C3CCCCC3)CCCCC2)c(C#N)c1=O ZINC001421131672 1378161553 /nfs/dbraw/zinc/16/15/53/1378161553.db2.gz NPWYITKQNILBHM-UHFFFAOYSA-N -1 0 344.459 2.888 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001434236174 1387110624 /nfs/dbraw/zinc/11/06/24/1387110624.db2.gz LLQPVONFTCKORY-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3ccccc3n2C)cc1C#N ZINC001439117359 1389000189 /nfs/dbraw/zinc/00/01/89/1389000189.db2.gz QCLZQOYPPACDDA-UHFFFAOYSA-N -1 0 339.380 2.520 20 30 EFEDRM N#Cc1cccc(-c2nc(NC(=O)c3cc(Cl)ccc3[O-])n[nH]2)c1 ZINC001458041242 1395398351 /nfs/dbraw/zinc/39/83/51/1395398351.db2.gz HPGUMXFMSHXJRO-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM Cn1c(=O)[n-]c(Nc2ccc(SC3CCCC3)cc2)c(C#N)c1=O ZINC001458322780 1395445789 /nfs/dbraw/zinc/44/57/89/1395445789.db2.gz OOBYIQQVYADPNA-UHFFFAOYSA-N -1 0 342.424 2.724 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001464561242 1396585683 /nfs/dbraw/zinc/58/56/83/1396585683.db2.gz GEVVMAZCFJCDID-UHFFFAOYSA-N -1 0 336.351 2.851 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC001471868461 1397217653 /nfs/dbraw/zinc/21/76/53/1397217653.db2.gz MQXRKJWUYNZJET-YEBMWUKDSA-N -1 0 342.420 2.552 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(F)c2F)c(F)c1 ZINC001475545198 1397434604 /nfs/dbraw/zinc/43/46/04/1397434604.db2.gz FBYVXRBDGGCPRH-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001546230950 1398267936 /nfs/dbraw/zinc/26/79/36/1398267936.db2.gz JSAKMSIXLNQFDY-OAHLLOKOSA-N -1 0 348.362 2.741 20 30 EFEDRM N#Cc1ccc(NC(=O)C=CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000737716366 1426572482 /nfs/dbraw/zinc/57/24/82/1426572482.db2.gz QCGUSXZMLZMOOX-CMDGGOBGSA-N -1 0 348.391 2.983 20 30 EFEDRM CCCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736492736 1427037350 /nfs/dbraw/zinc/03/73/50/1427037350.db2.gz NZKJFNSAGXDRCE-UHFFFAOYSA-N -1 0 348.366 2.779 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735505679 1427675183 /nfs/dbraw/zinc/67/51/83/1427675183.db2.gz SDUOTPPPLQJFBI-LBPRGKRZSA-N -1 0 349.350 2.515 20 30 EFEDRM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000826360545 1428235695 /nfs/dbraw/zinc/23/56/95/1428235695.db2.gz OPXCNGUPXGXYRZ-UHFFFAOYSA-N -1 0 344.382 2.713 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825879982 1428400404 /nfs/dbraw/zinc/40/04/04/1428400404.db2.gz UKZRMCDFYADGSF-BJMVGYQFSA-N -1 0 337.358 2.968 20 30 EFEDRM N#Cc1ccsc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822842436 1428420674 /nfs/dbraw/zinc/42/06/74/1428420674.db2.gz IHMCLSNTZRBWBX-UHFFFAOYSA-N -1 0 342.409 2.531 20 30 EFEDRM C=CCC[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823893966 1428423653 /nfs/dbraw/zinc/42/36/53/1428423653.db2.gz CQYZGUZEUHTLEO-HNNXBMFYSA-N -1 0 328.372 2.534 20 30 EFEDRM Cc1nn(C(C)(C)C)c(C)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826332699 1428719346 /nfs/dbraw/zinc/71/93/46/1428719346.db2.gz DCRNIFOXGFURNF-UHFFFAOYSA-N -1 0 338.419 2.881 20 30 EFEDRM Fc1cccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000822786019 1428784976 /nfs/dbraw/zinc/78/49/76/1428784976.db2.gz BDKYBZGESWYRCX-UHFFFAOYSA-N -1 0 336.330 2.809 20 30 EFEDRM CCn1cc([C@@H]2OCC[C@@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552447272 1414455626 /nfs/dbraw/zinc/45/56/26/1414455626.db2.gz QSTCUHNNYXTJHN-CZUORRHYSA-N -1 0 328.372 2.777 20 30 EFEDRM Cn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449319 1414456063 /nfs/dbraw/zinc/45/60/63/1414456063.db2.gz ZXGBFYURYLAOCR-CZUORRHYSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@H]2CN=Nc2ccc(CC(=O)[O-])cc2)cn1 ZINC001552454892 1414457559 /nfs/dbraw/zinc/45/75/59/1414457559.db2.gz RTUJYQMBZACJQJ-KSSFIOAISA-N -1 0 342.399 2.613 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3n[nH]cc3C#N)n2)cc1 ZINC001557135850 1415107739 /nfs/dbraw/zinc/10/77/39/1415107739.db2.gz RDQFSKLBHXKTGZ-UHFFFAOYSA-N -1 0 336.355 2.548 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(=O)o[n-]1 ZINC001557155362 1415109129 /nfs/dbraw/zinc/10/91/29/1415109129.db2.gz FTMOGYPAHATWCU-UKRRQHHQSA-N -1 0 342.399 2.654 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1nc(=O)o[n-]1 ZINC001557155361 1415109385 /nfs/dbraw/zinc/10/93/85/1415109385.db2.gz FTMOGYPAHATWCU-HIFRSBDPSA-N -1 0 342.399 2.654 20 30 EFEDRM N#Cc1nc(NC(=O)Cc2coc3cc4c(cc23)CCC4)[n-]c1C#N ZINC001557256052 1415116119 /nfs/dbraw/zinc/11/61/19/1415116119.db2.gz XQKCDUHGHPGJJA-UHFFFAOYSA-N -1 0 331.335 2.569 20 30 EFEDRM CCC1(CC)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1OC ZINC000825165142 1428873387 /nfs/dbraw/zinc/87/33/87/1428873387.db2.gz UAALQNIZWRHWCE-LLVKDONJSA-N -1 0 349.826 2.908 20 30 EFEDRM C(=Nn1cnc2ccccc21)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718224 1428893951 /nfs/dbraw/zinc/89/39/51/1428893951.db2.gz BKQFCFGIWRLBST-UHFFFAOYSA-N -1 0 328.339 2.580 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735505022 1428922414 /nfs/dbraw/zinc/92/24/14/1428922414.db2.gz REPCGDFCOXFKGG-LBPRGKRZSA-N -1 0 348.366 2.544 20 30 EFEDRM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737589376 1428944640 /nfs/dbraw/zinc/94/46/40/1428944640.db2.gz DAXHEIZYRFSLSI-VOTSOKGWSA-N -1 0 349.181 2.803 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OCCOc1ccccc1-c1nn[n-]n1 ZINC000826256402 1428955656 /nfs/dbraw/zinc/95/56/56/1428955656.db2.gz HYXLPKAWOYWASW-UHFFFAOYSA-N -1 0 335.367 2.813 20 30 EFEDRM COC(=O)c1cc(C(=O)C(C#N)c2ccccn2)n(-c2ccccc2)n1 ZINC000103329854 1416766805 /nfs/dbraw/zinc/76/68/05/1416766805.db2.gz UPGYQUBWSNAMQK-AWEZNQCLSA-N -1 0 346.346 2.544 20 30 EFEDRM COc1ccc(C=C2CCOc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083979 1429188061 /nfs/dbraw/zinc/18/80/61/1429188061.db2.gz QOXUBUDCTDZGER-JLHYYAGUSA-N -1 0 348.362 2.924 20 30 EFEDRM Clc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cn1 ZINC000822579092 1429194254 /nfs/dbraw/zinc/19/42/54/1429194254.db2.gz VRPJAWRXSIMJBM-UHFFFAOYSA-N -1 0 338.762 2.842 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000159731245 1418286650 /nfs/dbraw/zinc/28/66/50/1418286650.db2.gz LEPKNLYGLDVKGI-LBPRGKRZSA-N -1 0 331.199 2.864 20 30 EFEDRM CCCCSCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736462230 1429337299 /nfs/dbraw/zinc/33/72/99/1429337299.db2.gz CZXVARXRLFAROJ-UHFFFAOYSA-N -1 0 330.417 2.600 20 30 EFEDRM Cc1cn(Cc2cc(Cl)ccc2OCC#N)cc1-c1nn[n-]n1 ZINC000822384046 1429340116 /nfs/dbraw/zinc/34/01/16/1429340116.db2.gz FTCQCCWOUJCGCQ-UHFFFAOYSA-N -1 0 328.763 2.581 20 30 EFEDRM C=C(Cl)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735401960 1429367460 /nfs/dbraw/zinc/36/74/60/1429367460.db2.gz BJYVPMOCGJSAEN-UHFFFAOYSA-N -1 0 348.838 2.787 20 30 EFEDRM N#Cc1ccc(F)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822829701 1429431946 /nfs/dbraw/zinc/43/19/46/1429431946.db2.gz FBUNITQRWKPSRI-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455339 1429453961 /nfs/dbraw/zinc/45/39/61/1429453961.db2.gz HIHXEICATDRHOT-SECBINFHSA-N -1 0 325.763 2.960 20 30 EFEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(F)c1 ZINC000737807014 1429487531 /nfs/dbraw/zinc/48/75/31/1429487531.db2.gz MXVOQFQDEHWYQR-AATRIKPKSA-N -1 0 334.314 2.550 20 30 EFEDRM COc1cc(C)cc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826178330 1429508892 /nfs/dbraw/zinc/50/88/92/1429508892.db2.gz SVCAUDYBZAKDLG-UKTHLTGXSA-N -1 0 348.362 2.842 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)c(F)c1 ZINC000171566103 1423275971 /nfs/dbraw/zinc/27/59/71/1423275971.db2.gz YVJXZHSNGSUREK-AWEZNQCLSA-N -1 0 342.374 2.640 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)c(F)c1 ZINC000171566106 1423276147 /nfs/dbraw/zinc/27/61/47/1423276147.db2.gz YVJXZHSNGSUREK-CQSZACIVSA-N -1 0 342.374 2.640 20 30 EFEDRM Cc1cc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)[nH]1 ZINC000822194081 1423381191 /nfs/dbraw/zinc/38/11/91/1423381191.db2.gz HYSPRUQMJJXJDJ-UHFFFAOYSA-N -1 0 328.380 2.543 20 30 EFEDRM CC(C)n1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cn1 ZINC000823958119 1423403311 /nfs/dbraw/zinc/40/33/11/1423403311.db2.gz CVFUSFICMYGZET-UHFFFAOYSA-N -1 0 345.798 2.529 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2Cc2ccccc2)o1 ZINC000737468080 1429644856 /nfs/dbraw/zinc/64/48/56/1429644856.db2.gz YCASDOOPZSYCKU-ZDUSSCGKSA-N -1 0 337.387 2.974 20 30 EFEDRM COc1ccc(C=NNc2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC000737082844 1423638408 /nfs/dbraw/zinc/63/84/08/1423638408.db2.gz KZTKDMCGCPHTLD-UHFFFAOYSA-N -1 0 345.366 2.870 20 30 EFEDRM CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736313759 1423735179 /nfs/dbraw/zinc/73/51/79/1423735179.db2.gz PLIIQEGHVNARQZ-OAHLLOKOSA-N -1 0 332.367 2.871 20 30 EFEDRM C=CCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735416685 1423735373 /nfs/dbraw/zinc/73/53/73/1423735373.db2.gz OPKJOJNGBGPRTO-UHFFFAOYSA-N -1 0 337.339 2.787 20 30 EFEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(-n2ccnc2)cs1 ZINC000823868145 1423838736 /nfs/dbraw/zinc/83/87/36/1423838736.db2.gz OQFMVPWSYXVNDX-UHFFFAOYSA-N -1 0 336.384 2.560 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1O ZINC000826177054 1424183054 /nfs/dbraw/zinc/18/30/54/1424183054.db2.gz PUHPKBAHUYJXPY-UTCJRWHESA-N -1 0 340.314 2.616 20 30 EFEDRM CC(C)n1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000824371359 1424554072 /nfs/dbraw/zinc/55/40/72/1424554072.db2.gz BOWVCUNCJRQEOG-XQRVVYSFSA-N -1 0 326.335 2.679 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823874144 1424741861 /nfs/dbraw/zinc/74/18/61/1424741861.db2.gz UEAJKCPIHAOCMA-UHFFFAOYSA-N -1 0 330.392 2.694 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)COC2 ZINC000826400567 1424853994 /nfs/dbraw/zinc/85/39/94/1424853994.db2.gz BLPRVRNCKWGHIF-QHHAFSJGSA-N -1 0 336.326 2.932 20 30 EFEDRM Cc1c(NC(=S)Nc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822116177 1425000836 /nfs/dbraw/zinc/00/08/36/1425000836.db2.gz NXEDDQLEFIRWGF-UHFFFAOYSA-N -1 0 335.396 2.856 20 30 EFEDRM CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1 ZINC000736393314 1425083051 /nfs/dbraw/zinc/08/30/51/1425083051.db2.gz WIWVQXAYUBYSOW-ZDUSSCGKSA-N -1 0 337.412 2.959 20 30 EFEDRM C=CCN(Cc1n[nH]c2ccccc12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915188 1425133057 /nfs/dbraw/zinc/13/30/57/1425133057.db2.gz TZWYWOCPZSUAKC-UHFFFAOYSA-N -1 0 345.410 2.931 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1nn[n-]n1 ZINC000737718307 1425163888 /nfs/dbraw/zinc/16/38/88/1425163888.db2.gz HGRXSRBQCLZKFO-UHFFFAOYSA-N -1 0 340.293 2.928 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CC#N)cc1 ZINC000822138179 1425202303 /nfs/dbraw/zinc/20/23/03/1425202303.db2.gz ZZRPRDQZDZOHOS-UHFFFAOYSA-N -1 0 348.366 2.563 20 30 EFEDRM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821786599 1425203561 /nfs/dbraw/zinc/20/35/61/1425203561.db2.gz GFLROZUEIZWNKU-UHFFFAOYSA-N -1 0 342.790 2.652 20 30 EFEDRM N#C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826379919 1425216259 /nfs/dbraw/zinc/21/62/59/1425216259.db2.gz GXMMTUHEIHEKBD-INIZCTEOSA-N -1 0 339.399 2.815 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ncccc2c1 ZINC000819718430 1425227187 /nfs/dbraw/zinc/22/71/87/1425227187.db2.gz GQAWTTQAEMWKFE-UHFFFAOYSA-N -1 0 329.367 2.539 20 30 EFEDRM Cc1cc(NCC(C)(C)C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271518 1425453352 /nfs/dbraw/zinc/45/33/52/1425453352.db2.gz VQJHWXTZWLGZBO-UHFFFAOYSA-N -1 0 346.398 2.938 20 30 EFEDRM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)s1 ZINC000825632474 1425476401 /nfs/dbraw/zinc/47/64/01/1425476401.db2.gz UBJSTBCCTMTCOV-UHFFFAOYSA-N -1 0 326.385 2.811 20 30 EFEDRM COc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000826203548 1425560714 /nfs/dbraw/zinc/56/07/14/1425560714.db2.gz UXAKSJGXPXROLA-UHFFFAOYSA-N -1 0 342.309 2.637 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403412 1425599887 /nfs/dbraw/zinc/59/98/87/1425599887.db2.gz RJKFMHDFHYRTEA-RJRFIUFISA-N -1 0 345.315 2.872 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826332944 1425628725 /nfs/dbraw/zinc/62/87/25/1425628725.db2.gz NXNWSVNUDLZUJV-UHFFFAOYSA-N -1 0 344.382 2.807 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC000826190645 1425676453 /nfs/dbraw/zinc/67/64/53/1425676453.db2.gz IDRSZTQZNXPLGE-GORDUTHDSA-N -1 0 337.364 2.705 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000736676927 1425739697 /nfs/dbraw/zinc/73/96/97/1425739697.db2.gz WHZVWOMIENDAHO-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM O=C(C=Cc1nccn1CC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737806331 1425863037 /nfs/dbraw/zinc/86/30/37/1425863037.db2.gz FORTYLBRMQTWDB-SNAWJCMRSA-N -1 0 348.288 2.522 20 30 EFEDRM Cc1ncsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000822481736 1425928546 /nfs/dbraw/zinc/92/85/46/1425928546.db2.gz DFMVOYJQLOGLHN-AATRIKPKSA-N -1 0 340.412 2.584 20 30 EFEDRM C(=NNc1ccc2n[nH]cc2c1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823861850 1425964722 /nfs/dbraw/zinc/96/47/22/1425964722.db2.gz SBKQMTYHXDONHB-UHFFFAOYSA-N -1 0 343.354 2.670 20 30 EFEDRM C=CCSCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819758993 1425987410 /nfs/dbraw/zinc/98/74/10/1425987410.db2.gz KIDABLMPEYKYLB-UHFFFAOYSA-N -1 0 338.824 2.561 20 30 EFEDRM COc1ccc(C)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826190196 1426029209 /nfs/dbraw/zinc/02/92/09/1426029209.db2.gz SULWDGFHJNCSSQ-UHFFFAOYSA-N -1 0 343.778 2.678 20 30 EFEDRM Cc1ncsc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958581 1426086252 /nfs/dbraw/zinc/08/62/52/1426086252.db2.gz RIOFJELOUPVWQV-UHFFFAOYSA-N -1 0 334.796 2.516 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202578 1426262821 /nfs/dbraw/zinc/26/28/21/1426262821.db2.gz NQZFLEVODKMBKA-BQYQJAHWSA-N -1 0 337.358 2.958 20 30 EFEDRM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403611 1426295139 /nfs/dbraw/zinc/29/51/39/1426295139.db2.gz XDKDTJSYPBHXEK-FNORWQNLSA-N -1 0 334.314 2.550 20 30 EFEDRM COc1ccc(C=CC(=O)c2cc(C)ccc2O)cc1-c1nn[n-]n1 ZINC000821786621 1426334514 /nfs/dbraw/zinc/33/45/14/1426334514.db2.gz GQWJXZCXUCDYOQ-DAXSKMNVSA-N -1 0 336.351 2.785 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822016035 1426438879 /nfs/dbraw/zinc/43/88/79/1426438879.db2.gz UGGPQISUEXZTAO-HJWRWDBZSA-N -1 0 335.323 2.979 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCC#Cc1ccccc1 ZINC000826252231 1426454996 /nfs/dbraw/zinc/45/49/96/1426454996.db2.gz VIMNSOMHXINSBA-UHFFFAOYSA-N -1 0 332.363 2.774 20 30 EFEDRM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1F ZINC000824604645 1426462629 /nfs/dbraw/zinc/46/26/29/1426462629.db2.gz CODQCGMNJGGIJP-SNVBAGLBSA-N -1 0 340.337 2.867 20 30 EFEDRM C(=NOCCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819718914 1426487413 /nfs/dbraw/zinc/48/74/13/1426487413.db2.gz UGLLMJBDJDDJRX-UHFFFAOYSA-N -1 0 329.385 2.748 20 30 EFEDRM C[C@@H](Nc1cc(C#N)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820456307 1426502719 /nfs/dbraw/zinc/50/27/19/1426502719.db2.gz RWCQOHDFJHZDRJ-GFCCVEGCSA-N -1 0 341.378 2.882 20 30 EFEDRM C=C(Br)CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819719002 1426529282 /nfs/dbraw/zinc/52/92/82/1426529282.db2.gz WRZATAUPXLJPPC-UHFFFAOYSA-N -1 0 331.177 2.735 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(C)(C)C)s2)o1 ZINC000822423808 1426565318 /nfs/dbraw/zinc/56/53/18/1426565318.db2.gz OYCGJMJGZAYDON-UHFFFAOYSA-N -1 0 331.405 2.968 20 30 EFEDRM CC(C)(C#N)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824058890 1426671524 /nfs/dbraw/zinc/67/15/24/1426671524.db2.gz HHPWCUIUYYACAQ-UHFFFAOYSA-N -1 0 346.394 2.813 20 30 EFEDRM CCc1cnccc1C(C)=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825733658 1426711847 /nfs/dbraw/zinc/71/18/47/1426711847.db2.gz HUGDIYAUYXOFTA-UHFFFAOYSA-N -1 0 342.794 2.709 20 30 EFEDRM C=CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000819758639 1426724346 /nfs/dbraw/zinc/72/43/46/1426724346.db2.gz CNOWFKPIPKGISF-UHFFFAOYSA-N -1 0 340.299 2.527 20 30 EFEDRM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000824035310 1426777386 /nfs/dbraw/zinc/77/73/86/1426777386.db2.gz WQBQNPOBMZQKJL-SECBINFHSA-N -1 0 345.794 2.676 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCCO2 ZINC000822922202 1426831577 /nfs/dbraw/zinc/83/15/77/1426831577.db2.gz DFSMTOYCHWAVOD-NSCUHMNNSA-N -1 0 340.364 2.596 20 30 EFEDRM CCc1cccnc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825728671 1426929400 /nfs/dbraw/zinc/92/94/00/1426929400.db2.gz VLVXPWHRVSAIOC-UHFFFAOYSA-N -1 0 342.794 2.709 20 30 EFEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nccn1Cc1ccccc1 ZINC000735399914 1427075800 /nfs/dbraw/zinc/07/58/00/1427075800.db2.gz OCKJIRWLJZMRPW-UHFFFAOYSA-N -1 0 344.382 2.558 20 30 EFEDRM Cc1ccc2c(c1C)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000822280375 1427135088 /nfs/dbraw/zinc/13/50/88/1427135088.db2.gz LOACSUQQQQDDSH-UHFFFAOYSA-N -1 0 348.410 2.760 20 30 EFEDRM CSc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737192670 1427210054 /nfs/dbraw/zinc/21/00/54/1427210054.db2.gz VEXZLQKRZYOFPN-UHFFFAOYSA-N -1 0 342.409 2.774 20 30 EFEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403079 1427300837 /nfs/dbraw/zinc/30/08/37/1427300837.db2.gz JIZNFPINDMRXJY-VURMDHGXSA-N -1 0 339.286 2.810 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1-c1nn[n-]n1 ZINC000737718075 1427308147 /nfs/dbraw/zinc/30/81/47/1427308147.db2.gz DWWYXQNFIXDYDJ-UHFFFAOYSA-N -1 0 348.297 2.876 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCO[C@H](C(C)C)C2)o1 ZINC000824352408 1427320523 /nfs/dbraw/zinc/32/05/23/1427320523.db2.gz CMKAKKXMEDVDSJ-NSHDSACASA-N -1 0 333.396 2.581 20 30 EFEDRM C=C(Cl)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735402159 1427354799 /nfs/dbraw/zinc/35/47/99/1427354799.db2.gz KIZRTAGPDCVAMC-UHFFFAOYSA-N -1 0 336.783 2.528 20 30 EFEDRM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000735374561 1427367242 /nfs/dbraw/zinc/36/72/42/1427367242.db2.gz DZLKXOZQLDSILR-WFTPILKQSA-N -1 0 345.362 2.583 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737730514 1427390952 /nfs/dbraw/zinc/39/09/52/1427390952.db2.gz MOOVJJRGNCWFQI-VMPITWQZSA-N -1 0 334.314 2.529 20 30 EFEDRM N#C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826380179 1427423130 /nfs/dbraw/zinc/42/31/30/1427423130.db2.gz QEDFSIPHOXZNBB-KRWDZBQOSA-N -1 0 344.378 2.566 20 30 EFEDRM C=C(C)COCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823877607 1427472086 /nfs/dbraw/zinc/47/20/86/1427472086.db2.gz AZZLVCVLWBPFGJ-UHFFFAOYSA-N -1 0 338.209 2.634 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(CC#N)cc1 ZINC000825608717 1427543883 /nfs/dbraw/zinc/54/38/83/1427543883.db2.gz CVZWYAZIYXNCJV-UHFFFAOYSA-N -1 0 335.367 2.910 20 30 EFEDRM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735977949 1427580186 /nfs/dbraw/zinc/58/01/86/1427580186.db2.gz XNNFFLXYLBRSMR-LBPRGKRZSA-N -1 0 332.367 2.871 20 30 EFEDRM C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735408124 1427605733 /nfs/dbraw/zinc/60/57/33/1427605733.db2.gz GHWCSIFXAMMPFT-CQSZACIVSA-N -1 0 343.431 2.839 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826401392 1427620445 /nfs/dbraw/zinc/62/04/45/1427620445.db2.gz XJKRDJLLGNRWJU-KRXBUXKQSA-N -1 0 339.286 2.810 20 30 EFEDRM COCc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826164137 1427831573 /nfs/dbraw/zinc/83/15/73/1427831573.db2.gz COYBPGKRKGEVJG-UHFFFAOYSA-N -1 0 343.778 2.508 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822823605 1427894478 /nfs/dbraw/zinc/89/44/78/1427894478.db2.gz UDMXEDAAHLNQJV-YVMONPNESA-N -1 0 334.314 2.529 20 30 EFEDRM c1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(=NOC2CCCC2)CC1 ZINC000826513340 1427903006 /nfs/dbraw/zinc/90/30/06/1427903006.db2.gz ITPVYOCEALFQFN-UHFFFAOYSA-N -1 0 340.431 2.778 20 30 EFEDRM COc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737147187 1427956798 /nfs/dbraw/zinc/95/67/98/1427956798.db2.gz LRCSEOGFPUCXFX-MDZDMXLPSA-N -1 0 349.394 2.828 20 30 EFEDRM N#Cc1ccc2c(c1)CCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000822837800 1427958708 /nfs/dbraw/zinc/95/87/08/1427958708.db2.gz TVPHLFKJONNZQB-OVCLIPMQSA-N -1 0 327.347 2.951 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000819750253 1427981144 /nfs/dbraw/zinc/98/11/44/1427981144.db2.gz BJFFBHAGUSOOAH-HNNXBMFYSA-N -1 0 338.396 2.681 20 30 EFEDRM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825693974 1428018746 /nfs/dbraw/zinc/01/87/46/1428018746.db2.gz JELHXXXVASUSER-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM C=CCOCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735438216 1429868808 /nfs/dbraw/zinc/86/88/08/1429868808.db2.gz YDFUBYRETSFKIE-UHFFFAOYSA-N -1 0 336.351 2.642 20 30 EFEDRM CCCCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C1(C)C ZINC000821071556 1429892072 /nfs/dbraw/zinc/89/20/72/1429892072.db2.gz ILHGQZSZASMWHO-LLVKDONJSA-N -1 0 333.396 2.546 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821050618 1430001911 /nfs/dbraw/zinc/00/19/11/1430001911.db2.gz SLHUNVSKFMKSHV-GFCCVEGCSA-N -1 0 348.455 2.718 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000737437245 1430038882 /nfs/dbraw/zinc/03/88/82/1430038882.db2.gz YSTXJBQWHLQBRD-CMDGGOBGSA-N -1 0 330.351 2.719 20 30 EFEDRM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C#N)cc1F ZINC000825782317 1430060539 /nfs/dbraw/zinc/06/05/39/1430060539.db2.gz CHCMAWCTTFHNKN-UHFFFAOYSA-N -1 0 333.330 2.914 20 30 EFEDRM Cc1cc(C)c2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000822195259 1441442838 /nfs/dbraw/zinc/44/28/38/1441442838.db2.gz MCCDSQRCXFNFPV-UHFFFAOYSA-N -1 0 348.410 2.760 20 30 EFEDRM CC#CCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823943140 1441458066 /nfs/dbraw/zinc/45/80/66/1441458066.db2.gz OMHXWTHBMZEZLB-UHFFFAOYSA-N -1 0 349.419 2.771 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826497992 1441502673 /nfs/dbraw/zinc/50/26/73/1441502673.db2.gz CDULUEGIODIBAE-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM COc1ccc(C=CC(=O)c2cnc3[nH]cccc2-3)cc1-c1nn[n-]n1 ZINC000821787052 1441503549 /nfs/dbraw/zinc/50/35/49/1441503549.db2.gz NOLQFDYBTSKNNN-GQCTYLIASA-N -1 0 346.350 2.648 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cnc12 ZINC000737436050 1441518057 /nfs/dbraw/zinc/51/80/57/1441518057.db2.gz QSULMLVCPSNDHD-BQYQJAHWSA-N -1 0 330.351 2.719 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(O)c(C)c2)cc1-c1nn[n-]n1 ZINC000737080899 1441523141 /nfs/dbraw/zinc/52/31/41/1441523141.db2.gz ILXFGJMYGWEBAO-UTCJRWHESA-N -1 0 336.351 2.785 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824035314 1441546738 /nfs/dbraw/zinc/54/67/38/1441546738.db2.gz WTOHYZDQRBTLOU-LLVKDONJSA-N -1 0 338.346 2.909 20 30 EFEDRM C[C@H](Nc1cc(C#N)nc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820456308 1441546800 /nfs/dbraw/zinc/54/68/00/1441546800.db2.gz RWCQOHDFJHZDRJ-LBPRGKRZSA-N -1 0 341.378 2.882 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819701714 1441559330 /nfs/dbraw/zinc/55/93/30/1441559330.db2.gz LITJRXZPQMBZOF-UHFFFAOYSA-N -1 0 339.349 2.780 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400641 1441568186 /nfs/dbraw/zinc/56/81/86/1441568186.db2.gz DGSTZEVPQWFZOL-RQOWECAXSA-N -1 0 345.315 2.872 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822801346 1441569302 /nfs/dbraw/zinc/56/93/02/1441569302.db2.gz HFEHQMISKPUULM-CVEARBPZSA-N -1 0 331.383 2.538 20 30 EFEDRM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1F ZINC000826288929 1441660405 /nfs/dbraw/zinc/66/04/05/1441660405.db2.gz CGCQGXZNVCFHAA-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM C#CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(F)cc1 ZINC000823850034 1441679029 /nfs/dbraw/zinc/67/90/29/1441679029.db2.gz ILNNSSHHYWLFKQ-UHFFFAOYSA-N -1 0 327.388 2.703 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822362518 1441729406 /nfs/dbraw/zinc/72/94/06/1441729406.db2.gz XACVKBRYPRGIMT-UHFFFAOYSA-N -1 0 343.441 2.557 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000737718289 1441735791 /nfs/dbraw/zinc/73/57/91/1441735791.db2.gz GUJBDFHQOVAWSS-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM N#Cc1csc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822845677 1441776283 /nfs/dbraw/zinc/77/62/83/1441776283.db2.gz CJAFJOPOXSEAIC-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000825807668 1441790295 /nfs/dbraw/zinc/79/02/95/1441790295.db2.gz ULQDASFNHGOKLU-UHFFFAOYSA-N -1 0 344.810 2.799 20 30 EFEDRM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823962388 1441792050 /nfs/dbraw/zinc/79/20/50/1441792050.db2.gz JNQXHMDWBCDMDO-UHFFFAOYSA-N -1 0 336.384 2.708 20 30 EFEDRM Oc1ccc(Cl)cc1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738401929 1441845346 /nfs/dbraw/zinc/84/53/46/1441845346.db2.gz XKEWYXBJNYEMMT-LSCVHKIXSA-N -1 0 331.738 2.984 20 30 EFEDRM N#Cc1nc(N)n(Cc2ccc(C3CCCCC3)cc2)c1-c1nn[n-]n1 ZINC000822845662 1441861560 /nfs/dbraw/zinc/86/15/60/1441861560.db2.gz BFGCARQDUPSYBE-UHFFFAOYSA-N -1 0 348.414 2.613 20 30 EFEDRM Cc1ccoc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000819782260 1441974024 /nfs/dbraw/zinc/97/40/24/1441974024.db2.gz JQIMYHCCLZJUPS-UHFFFAOYSA-N -1 0 329.364 2.890 20 30 EFEDRM Cc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737392146 1442016619 /nfs/dbraw/zinc/01/66/19/1442016619.db2.gz PFPFPRPMFWIYTL-UHFFFAOYSA-N -1 0 332.367 2.618 20 30 EFEDRM C=C(C)CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000819723010 1442096137 /nfs/dbraw/zinc/09/61/37/1442096137.db2.gz UHKBDLUSOHPMBZ-UHFFFAOYSA-N -1 0 327.344 2.682 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826365571 1442190053 /nfs/dbraw/zinc/19/00/53/1442190053.db2.gz SVQXGVHPMZYOKA-OQFOIZHKSA-N -1 0 330.351 2.650 20 30 EFEDRM C=CCCCCCN(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735408577 1442218257 /nfs/dbraw/zinc/21/82/57/1442218257.db2.gz OSLJHRYQMQTDDO-UHFFFAOYSA-N -1 0 328.420 2.755 20 30 EFEDRM C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513387 1442227807 /nfs/dbraw/zinc/22/78/07/1442227807.db2.gz YXXYCRLHLDEXOW-LBPRGKRZSA-N -1 0 333.351 2.851 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCSC ZINC000735418137 1442239616 /nfs/dbraw/zinc/23/96/16/1442239616.db2.gz BRHPKDWYAJVLEC-UHFFFAOYSA-N -1 0 331.445 2.525 20 30 EFEDRM COCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826165051 1442261498 /nfs/dbraw/zinc/26/14/98/1442261498.db2.gz CXKRVDLMRACAIO-SNAWJCMRSA-N -1 0 345.359 2.505 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000823856546 1442314300 /nfs/dbraw/zinc/31/43/00/1442314300.db2.gz SVQUSMOKTJXNEJ-UHFFFAOYSA-N -1 0 341.321 2.769 20 30 EFEDRM N#CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC000822805641 1442353150 /nfs/dbraw/zinc/35/31/50/1442353150.db2.gz ALHJSDOELMXJJQ-UHFFFAOYSA-N -1 0 342.359 2.628 20 30 EFEDRM C#CCOc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000823856819 1442421758 /nfs/dbraw/zinc/42/17/58/1442421758.db2.gz ZSOGILJSQZHOBG-UHFFFAOYSA-N -1 0 348.362 2.544 20 30 EFEDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820461602 1443081645 /nfs/dbraw/zinc/08/16/45/1443081645.db2.gz NOWSCOVWZHNKBN-SNVBAGLBSA-N -1 0 335.327 2.820 20 30 EFEDRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736351315 1443085745 /nfs/dbraw/zinc/08/57/45/1443085745.db2.gz FKWMDGZBQKIVMO-AWEZNQCLSA-N -1 0 346.394 2.946 20 30 EFEDRM COc1cc(C#N)ccc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826177083 1443110548 /nfs/dbraw/zinc/11/05/48/1443110548.db2.gz QSWNLXUYYIEBQI-UHFFFAOYSA-N -1 0 346.394 2.526 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826257188 1443134298 /nfs/dbraw/zinc/13/42/98/1443134298.db2.gz RLJWVBCPQGVARC-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM CC(C)(C)CN(CCC#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000735603072 1443361798 /nfs/dbraw/zinc/36/17/98/1443361798.db2.gz WQKMBPHSAYAFFM-UHFFFAOYSA-N -1 0 328.420 2.507 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)COc2c(F)ccc(F)c21 ZINC000826475327 1443369407 /nfs/dbraw/zinc/36/94/07/1443369407.db2.gz CDJSKFIDTXYRLG-XFFZJAGNSA-N -1 0 340.289 2.804 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C12CCC(CC1)C2 ZINC000823909350 1443460949 /nfs/dbraw/zinc/46/09/49/1443460949.db2.gz AENPTNRNCDSYIQ-UHFFFAOYSA-N -1 0 337.427 2.962 20 30 EFEDRM N#Cc1csc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826387691 1443471913 /nfs/dbraw/zinc/47/19/13/1443471913.db2.gz LHCCSSWBIOOGLS-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000825039446 1443499408 /nfs/dbraw/zinc/49/94/08/1443499408.db2.gz RGXQIIHPUWELSH-CQSZACIVSA-N -1 0 349.398 2.863 20 30 EFEDRM Cc1cccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c1 ZINC000822323454 1443545080 /nfs/dbraw/zinc/54/50/80/1443545080.db2.gz HAHOBJDNUKFDQR-UHFFFAOYSA-N -1 0 349.423 2.903 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000823958082 1443565343 /nfs/dbraw/zinc/56/53/43/1443565343.db2.gz BETLBSUQMJQFKH-LBPRGKRZSA-N -1 0 340.309 2.852 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000819734322 1443571342 /nfs/dbraw/zinc/57/13/42/1443571342.db2.gz LWOPXNXDGJKLIR-HNNXBMFYSA-N -1 0 334.383 2.699 20 30 EFEDRM N#C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380187 1443605910 /nfs/dbraw/zinc/60/59/10/1443605910.db2.gz QIKNTTWTNCZXNH-SIFUEBAJSA-N -1 0 337.383 2.896 20 30 EFEDRM CCc1ncc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825750030 1443613201 /nfs/dbraw/zinc/61/32/01/1443613201.db2.gz ITAICZLQJVBLTP-UHFFFAOYSA-N -1 0 333.808 2.985 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cnc1Cl ZINC000822199095 1443624195 /nfs/dbraw/zinc/62/41/95/1443624195.db2.gz WMJPNVDUALKEKH-UHFFFAOYSA-N -1 0 346.782 2.781 20 30 EFEDRM CN(C(=O)c1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573420 1443625481 /nfs/dbraw/zinc/62/54/81/1443625481.db2.gz PNDYGPUPMNFXOG-UHFFFAOYSA-N -1 0 338.758 2.668 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825271046 1443681532 /nfs/dbraw/zinc/68/15/32/1443681532.db2.gz FYGDIJQPODFSRC-GFCCVEGCSA-N -1 0 348.451 2.818 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826381977 1443684660 /nfs/dbraw/zinc/68/46/60/1443684660.db2.gz IIUAFUJLHWHRNF-UHFFFAOYSA-N -1 0 338.758 2.838 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000737080791 1443743691 /nfs/dbraw/zinc/74/36/91/1443743691.db2.gz HJNYIQFAAYVCCC-YWEYNIOJSA-N -1 0 331.335 2.643 20 30 EFEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1N(C)C ZINC000819773187 1443745991 /nfs/dbraw/zinc/74/59/91/1443745991.db2.gz RIUIHPQAJLIPAI-UHFFFAOYSA-N -1 0 339.378 2.908 20 30 EFEDRM O=C1c2cccc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504984 1443759635 /nfs/dbraw/zinc/75/96/35/1443759635.db2.gz WPBDCWHJKRTDDE-WDZFZDKYSA-N -1 0 340.289 2.804 20 30 EFEDRM COc1ccc(C=C2COc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084824 1443789037 /nfs/dbraw/zinc/78/90/37/1443789037.db2.gz WONIJHVKFVCDPS-WQLSENKSSA-N -1 0 334.335 2.534 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826384756 1443799529 /nfs/dbraw/zinc/79/95/29/1443799529.db2.gz IHEGXZCMXRVVCN-GQCTYLIASA-N -1 0 325.328 2.835 20 30 EFEDRM C[C@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505579 1443800278 /nfs/dbraw/zinc/80/02/78/1443800278.db2.gz RKFKGNHEPCLEOK-GFCCVEGCSA-N -1 0 349.350 2.515 20 30 EFEDRM CCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000825733316 1443811533 /nfs/dbraw/zinc/81/15/33/1443811533.db2.gz BXGUTCPWMRUBGN-WAYWQWQTSA-N -1 0 329.360 2.921 20 30 EFEDRM N#CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822814969 1443860460 /nfs/dbraw/zinc/86/04/60/1443860460.db2.gz MGIFQLAMSYLUAP-AATRIKPKSA-N -1 0 337.364 2.727 20 30 EFEDRM C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000819759534 1443877829 /nfs/dbraw/zinc/87/78/29/1443877829.db2.gz ZAJBCBJLMRJXSE-UHFFFAOYSA-N -1 0 344.419 2.610 20 30 EFEDRM Cc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c1C ZINC000826337470 1443927348 /nfs/dbraw/zinc/92/73/48/1443927348.db2.gz PNPGOTHBXCOLNI-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(CC#N)cc1 ZINC000826253809 1443931499 /nfs/dbraw/zinc/93/14/99/1443931499.db2.gz FTQJXTSVIBJEEV-UHFFFAOYSA-N -1 0 333.351 2.598 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)cc(F)cc21 ZINC000823504763 1443946837 /nfs/dbraw/zinc/94/68/37/1443946837.db2.gz UKRSTONKEMNBHL-XFSBKJJWSA-N -1 0 346.318 2.865 20 30 EFEDRM N#Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837644 1443949419 /nfs/dbraw/zinc/94/94/19/1443949419.db2.gz QAOZOCMQUHNLTC-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737717839 1443993376 /nfs/dbraw/zinc/99/33/76/1443993376.db2.gz BNRXXNRUMSPPEW-UHFFFAOYSA-N -1 0 330.307 2.737 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)n21 ZINC000822340695 1444023542 /nfs/dbraw/zinc/02/35/42/1444023542.db2.gz CQPREJPZKVEJFF-MDZDMXLPSA-N -1 0 330.351 2.719 20 30 EFEDRM C=CCOc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819758642 1444027263 /nfs/dbraw/zinc/02/72/63/1444027263.db2.gz CRDLQRKFXOFLSO-UHFFFAOYSA-N -1 0 335.367 2.613 20 30 EFEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cnc2ccccc21 ZINC000736822389 1444027951 /nfs/dbraw/zinc/02/79/51/1444027951.db2.gz MONGQGRDRGDKGB-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736615719 1446107361 /nfs/dbraw/zinc/10/73/61/1446107361.db2.gz LHAPAANHHYAJHL-SNVBAGLBSA-N -1 0 333.396 2.581 20 30 EFEDRM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367467 1446174235 /nfs/dbraw/zinc/17/42/35/1446174235.db2.gz QMRIAFJQORBBRR-FMIVXFBMSA-N -1 0 344.378 2.805 20 30 EFEDRM c1[nH]c(-c2ccccc2)nc1CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735401169 1446194629 /nfs/dbraw/zinc/19/46/29/1446194629.db2.gz YOGYOZBVCUXNOQ-UHFFFAOYSA-N -1 0 330.355 2.703 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1O ZINC000826190839 1446226998 /nfs/dbraw/zinc/22/69/98/1446226998.db2.gz PBVCGZJFARRUSJ-DUXPYHPUSA-N -1 0 328.353 2.539 20 30 EFEDRM C#CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823850810 1446263139 /nfs/dbraw/zinc/26/31/39/1446263139.db2.gz UPHGRRWDNJVBEV-ZDUSSCGKSA-N -1 0 346.394 2.527 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)n21 ZINC000822340694 1446323644 /nfs/dbraw/zinc/32/36/44/1446323644.db2.gz CQPREJPZKVEJFF-KTKRTIGZSA-N -1 0 330.351 2.719 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823903703 1446323832 /nfs/dbraw/zinc/32/38/32/1446323832.db2.gz HWZSVSZZFPWZSR-UHFFFAOYSA-N -1 0 338.371 2.722 20 30 EFEDRM N#Cc1cccc(Cl)c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822837367 1446341216 /nfs/dbraw/zinc/34/12/16/1446341216.db2.gz LJVGNEBILHSJPC-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM N#Cc1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000826386571 1446352757 /nfs/dbraw/zinc/35/27/57/1446352757.db2.gz KIIXUFJPYXFTKD-UHFFFAOYSA-N -1 0 327.351 2.899 20 30 EFEDRM COc1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000737116688 1446384195 /nfs/dbraw/zinc/38/41/95/1446384195.db2.gz WKQUMLKLFPJDPN-UHFFFAOYSA-N -1 0 333.355 2.803 20 30 EFEDRM C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820495689 1446426087 /nfs/dbraw/zinc/42/60/87/1446426087.db2.gz IZYDUTSYNNASNC-CYBMUJFWSA-N -1 0 347.378 2.975 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC000826365146 1446437194 /nfs/dbraw/zinc/43/71/94/1446437194.db2.gz CUFUCEXEXAHWBX-XVNBXDOJSA-N -1 0 348.341 2.789 20 30 EFEDRM COc1ccc(COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1C#N ZINC000826206720 1446455120 /nfs/dbraw/zinc/45/51/20/1446455120.db2.gz IQXIMYYVWXSXQK-UHFFFAOYSA-N -1 0 335.367 2.943 20 30 EFEDRM C[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505606 1446540552 /nfs/dbraw/zinc/54/05/52/1446540552.db2.gz RTPXHDHYZSVEHK-LLVKDONJSA-N -1 0 334.339 2.679 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820512992 1446545993 /nfs/dbraw/zinc/54/59/93/1446545993.db2.gz RRSXPJHGLLZLTJ-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1 ZINC000737805918 1446579024 /nfs/dbraw/zinc/57/90/24/1446579024.db2.gz JDLHMOUSIPQBFG-VOTSOKGWSA-N -1 0 334.314 2.550 20 30 EFEDRM O=c1[nH]c2ccccc2cc1C=NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823732683 1446580772 /nfs/dbraw/zinc/58/07/72/1446580772.db2.gz NVYVPSIORGVVAU-KEBDBYFISA-N -1 0 348.341 2.879 20 30 EFEDRM CSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737193072 1446669161 /nfs/dbraw/zinc/66/91/61/1446669161.db2.gz PQOIYXIWHNLHER-UHFFFAOYSA-N -1 0 336.380 2.713 20 30 EFEDRM CC[C@@H]1C[C@@H](CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184739 1446690710 /nfs/dbraw/zinc/69/07/10/1446690710.db2.gz YXAKFQOQANEISM-NWDGAFQWSA-N -1 0 347.423 2.656 20 30 EFEDRM C[C@H](NC(=S)Nc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820404576 1446730591 /nfs/dbraw/zinc/73/05/91/1446730591.db2.gz YNRRLOQDNZYBCC-NSHDSACASA-N -1 0 349.423 2.786 20 30 EFEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823962260 1446776206 /nfs/dbraw/zinc/77/62/06/1446776206.db2.gz IKLIXXACSHEGKY-UHFFFAOYSA-N -1 0 329.345 2.673 20 30 EFEDRM CCc1nnc(Sc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548719 1446892209 /nfs/dbraw/zinc/89/22/09/1446892209.db2.gz VIEAPVMUFQKLAN-UHFFFAOYSA-N -1 0 337.412 2.804 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819689096 1446933476 /nfs/dbraw/zinc/93/34/76/1446933476.db2.gz UHGBMVALLQRTMO-ZDUSSCGKSA-N -1 0 348.362 2.624 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000737306972 1446981432 /nfs/dbraw/zinc/98/14/32/1446981432.db2.gz FGOXXVYNUVKWAX-SNAWJCMRSA-N -1 0 336.380 2.780 20 30 EFEDRM C=CCCOCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823899563 1447074562 /nfs/dbraw/zinc/07/45/62/1447074562.db2.gz YFVWKBRBLXCHCE-UHFFFAOYSA-N -1 0 327.310 2.890 20 30 EFEDRM CC(C)(C)CN(CCC#N)CCOc1ccccc1-c1nn[n-]n1 ZINC000735601915 1447080030 /nfs/dbraw/zinc/08/00/30/1447080030.db2.gz FSXWLNRBVYPXPN-UHFFFAOYSA-N -1 0 328.420 2.507 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736310077 1447096966 /nfs/dbraw/zinc/09/69/66/1447096966.db2.gz ULCACTCAZJIYCT-AWEZNQCLSA-N -1 0 335.371 2.555 20 30 EFEDRM C[C@H](OC(=O)c1cc(C#N)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820506896 1447211474 /nfs/dbraw/zinc/21/14/74/1447211474.db2.gz DDVQTTGJPHEYSW-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM C#CCOc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380110 1447237528 /nfs/dbraw/zinc/23/75/28/1447237528.db2.gz CPGMNACCEORHDM-UHFFFAOYSA-N -1 0 334.339 2.523 20 30 EFEDRM C[C@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000824034722 1447293907 /nfs/dbraw/zinc/29/39/07/1447293907.db2.gz NUVTUAIBNFDWKV-MRVPVSSYSA-N -1 0 345.769 2.803 20 30 EFEDRM C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148045 1447329765 /nfs/dbraw/zinc/32/97/65/1447329765.db2.gz FLEQEBLEWSWAKP-CYBMUJFWSA-N -1 0 347.378 2.975 20 30 EFEDRM N#Cc1cccc(C2(NCc3cccc(-c4nn[n-]n4)c3F)CC2)c1 ZINC000826386738 1449010856 /nfs/dbraw/zinc/01/08/56/1449010856.db2.gz QXDOEXXLIXZOQZ-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204033 1449020408 /nfs/dbraw/zinc/02/04/08/1449020408.db2.gz XKJMQABWXPFCRC-HJWRWDBZSA-N -1 0 337.358 2.958 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)OCC ZINC000823874262 1449083290 /nfs/dbraw/zinc/08/32/90/1449083290.db2.gz UTJDPBHDTUAVEE-CYBMUJFWSA-N -1 0 346.435 2.733 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nnn[n-]2)cs1 ZINC000819751073 1449090547 /nfs/dbraw/zinc/09/05/47/1449090547.db2.gz OKLGWFLMAVHHOM-OAHLLOKOSA-N -1 0 338.396 2.681 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC000819966077 1449292678 /nfs/dbraw/zinc/29/26/78/1449292678.db2.gz VOJIFGJYRPHFHA-UHFFFAOYSA-N -1 0 342.388 2.531 20 30 EFEDRM COc1cc(F)cc(NN=C(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821719346 1449335840 /nfs/dbraw/zinc/33/58/40/1449335840.db2.gz CFNJBZBXYTYKJZ-UHFFFAOYSA-N -1 0 326.335 2.851 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)ccc(F)c21 ZINC000826475897 1449481256 /nfs/dbraw/zinc/48/12/56/1449481256.db2.gz VLMBVAKYSUSQGR-XVNBXDOJSA-N -1 0 346.318 2.865 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2c3ccccc3C[C@H]2C)o1 ZINC000820814189 1449533760 /nfs/dbraw/zinc/53/37/60/1449533760.db2.gz SJMBWMFLIHFHQN-SNVBAGLBSA-N -1 0 337.387 2.987 20 30 EFEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403078 1449572136 /nfs/dbraw/zinc/57/21/36/1449572136.db2.gz JIZNFPINDMRXJY-SOFGYWHQSA-N -1 0 339.286 2.810 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1-c1nn[n-]n1 ZINC000737718624 1449604912 /nfs/dbraw/zinc/60/49/12/1449604912.db2.gz KZYDQSNIZAVPHM-UHFFFAOYSA-N -1 0 336.380 2.541 20 30 EFEDRM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)n1 ZINC000824261269 1449641343 /nfs/dbraw/zinc/64/13/43/1449641343.db2.gz GVTUYANQHVKWGG-UHFFFAOYSA-N -1 0 333.399 2.796 20 30 EFEDRM Clc1cc(NN=Cc2cnc3ccccn23)ccc1-c1nn[n-]n1 ZINC000826351602 1449677596 /nfs/dbraw/zinc/67/75/96/1449677596.db2.gz SIPWHVHSDYJLSF-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820497999 1449740753 /nfs/dbraw/zinc/74/07/53/1449740753.db2.gz XPTQGMZTNKMARU-LBPRGKRZSA-N -1 0 333.351 2.585 20 30 EFEDRM CC(=NNCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953801 1449791852 /nfs/dbraw/zinc/79/18/52/1449791852.db2.gz QRAFGQYFGMKGGG-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM COc1ccc(C=C2Cc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084820 1449825530 /nfs/dbraw/zinc/82/55/30/1449825530.db2.gz WLSDZCXXVZYSCY-SDQBBNPISA-N -1 0 336.326 2.837 20 30 EFEDRM Cc1ccnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C#N ZINC000826309557 1449833197 /nfs/dbraw/zinc/83/31/97/1449833197.db2.gz SZZYDMGQDUNEBL-UHFFFAOYSA-N -1 0 331.383 2.611 20 30 EFEDRM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826044520 1449841464 /nfs/dbraw/zinc/84/14/64/1449841464.db2.gz HAEHPQFDMBNVDH-XVNBXDOJSA-N -1 0 349.369 2.894 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737703273 1449862242 /nfs/dbraw/zinc/86/22/42/1449862242.db2.gz AXEAGGZUYOJAJN-JKSUJKDBSA-N -1 0 336.399 2.893 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1F ZINC000825480538 1449866888 /nfs/dbraw/zinc/86/68/88/1449866888.db2.gz BDEPESYKIWEUMV-UHFFFAOYSA-N -1 0 337.362 2.921 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826365375 1450075054 /nfs/dbraw/zinc/07/50/54/1450075054.db2.gz LNIZHWJAGMLOLW-HWKANZROSA-N -1 0 336.380 2.711 20 30 EFEDRM COc1ccc(C=NNc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000737083261 1450088976 /nfs/dbraw/zinc/08/89/76/1450088976.db2.gz NIXZBLBLNSSEQJ-UHFFFAOYSA-N -1 0 330.298 2.600 20 30 EFEDRM C=CCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000735437371 1450176844 /nfs/dbraw/zinc/17/68/44/1450176844.db2.gz GFZAAXQLEAIYFO-UHFFFAOYSA-N -1 0 349.394 2.603 20 30 EFEDRM CC(C)n1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cn1 ZINC000820211119 1450281776 /nfs/dbraw/zinc/28/17/76/1450281776.db2.gz DZCDQQGYLKBCEA-AUWJEWJLSA-N -1 0 334.383 2.857 20 30 EFEDRM CCn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000821565138 1450283545 /nfs/dbraw/zinc/28/35/45/1450283545.db2.gz FVTGFSMSYBZYGO-UHFFFAOYSA-N -1 0 345.410 2.965 20 30 EFEDRM Clc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737573025 1450284274 /nfs/dbraw/zinc/28/42/74/1450284274.db2.gz DGAKDTLMFWTMOI-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)CCC(C)C ZINC000826244014 1450406657 /nfs/dbraw/zinc/40/66/57/1450406657.db2.gz DVAQYPUXUHMJPJ-UHFFFAOYSA-N -1 0 326.404 2.577 20 30 EFEDRM Cn1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822690513 1450432219 /nfs/dbraw/zinc/43/22/19/1450432219.db2.gz ZYRZFIDTMWABAA-UHFFFAOYSA-N -1 0 335.293 2.670 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000120137472 712954439 /nfs/dbraw/zinc/95/44/39/712954439.db2.gz DRKUGNMDWKTXGM-UHFFFAOYSA-N -1 0 343.773 2.982 20 30 EFEDRM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1O ZINC000186842361 712965808 /nfs/dbraw/zinc/96/58/08/712965808.db2.gz BLFJPXIFXFHXDU-UHFFFAOYSA-N -1 0 335.281 2.898 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000120168227 712970845 /nfs/dbraw/zinc/97/08/45/712970845.db2.gz ZOYRYUIHFQAVCZ-UHFFFAOYSA-N -1 0 341.820 2.829 20 30 EFEDRM CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)n(C)c1 ZINC000042301333 713010386 /nfs/dbraw/zinc/01/03/86/713010386.db2.gz KQAWTANRBOHZEM-UHFFFAOYSA-N -1 0 340.788 2.575 20 30 EFEDRM COc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1F ZINC000007760998 713476954 /nfs/dbraw/zinc/47/69/54/713476954.db2.gz WTCJODWIWCLUPH-LLVKDONJSA-N -1 0 348.355 2.633 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1 ZINC000120980097 713638943 /nfs/dbraw/zinc/63/89/43/713638943.db2.gz FRXBLOQXABAWTI-HNNXBMFYSA-N -1 0 334.379 2.734 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000177604892 713740605 /nfs/dbraw/zinc/74/06/05/713740605.db2.gz SNAGXMSFZQLHIT-CQSZACIVSA-N -1 0 329.356 2.538 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000325558026 713766000 /nfs/dbraw/zinc/76/60/00/713766000.db2.gz JISQOIKPYAVTML-UHFFFAOYSA-N -1 0 341.388 2.585 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000048480775 713793248 /nfs/dbraw/zinc/79/32/48/713793248.db2.gz OQJVVNIONPLTAS-INIZCTEOSA-N -1 0 343.408 2.910 20 30 EFEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000892490977 717949953 /nfs/dbraw/zinc/94/99/53/717949953.db2.gz ASXQHSREJVGUAX-JTQLQIEISA-N -1 0 325.821 2.876 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000050205146 714193539 /nfs/dbraw/zinc/19/35/39/714193539.db2.gz BRMDMIRVBVLFKY-UHFFFAOYSA-N -1 0 339.319 2.689 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892496240 717964015 /nfs/dbraw/zinc/96/40/15/717964015.db2.gz KUEFVBAMBZUSFG-VIFPVBQESA-N -1 0 328.702 2.542 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1Cl ZINC000255866139 717966452 /nfs/dbraw/zinc/96/64/52/717966452.db2.gz FSTCWUMXNBMFSE-XQRVVYSFSA-N -1 0 346.770 2.600 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892500585 717988714 /nfs/dbraw/zinc/98/87/14/717988714.db2.gz CXEJVRODYYRNBC-SECBINFHSA-N -1 0 330.718 2.788 20 30 EFEDRM CNC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255309491 714633319 /nfs/dbraw/zinc/63/33/19/714633319.db2.gz OQIRVEMSAZTJRX-YWEYNIOJSA-N -1 0 326.308 2.556 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000121451661 714751793 /nfs/dbraw/zinc/75/17/93/714751793.db2.gz SJVUKVGDJPIFSS-QGZVFWFLSA-N -1 0 326.396 2.857 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121555523 714994198 /nfs/dbraw/zinc/99/41/98/714994198.db2.gz IHOLEOJZJHZRDW-VIFPVBQESA-N -1 0 341.592 2.727 20 30 EFEDRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000065042191 715038904 /nfs/dbraw/zinc/03/89/04/715038904.db2.gz VAEHPEDNTRZVRH-UHFFFAOYSA-N -1 0 332.353 2.677 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000121769102 715292297 /nfs/dbraw/zinc/29/22/97/715292297.db2.gz XAZKBRQUVIVUDT-HNNXBMFYSA-N -1 0 329.356 2.675 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000255503615 715466953 /nfs/dbraw/zinc/46/69/53/715466953.db2.gz OUKLTUOVCBUCRE-HJWRWDBZSA-N -1 0 346.795 2.730 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)cc(Br)c1 ZINC000124808541 715476809 /nfs/dbraw/zinc/47/68/09/715476809.db2.gz SOMCSRBAIHWEGD-LBPRGKRZSA-N -1 0 339.164 2.533 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000237051796 715485004 /nfs/dbraw/zinc/48/50/04/715485004.db2.gz IICXUJIBZOABND-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)N3CCCC3)s2)o1 ZINC000124903051 715553023 /nfs/dbraw/zinc/55/30/23/715553023.db2.gz MEGGXVQXAGIDJV-LBPRGKRZSA-N -1 0 343.408 2.965 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000124960772 715679771 /nfs/dbraw/zinc/67/97/71/715679771.db2.gz MMIUTQOHBKWDET-SFHVURJKSA-N -1 0 336.391 2.829 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)cc1Cl ZINC000255545546 715794328 /nfs/dbraw/zinc/79/43/28/715794328.db2.gz HGTCPHAWCLOIIZ-TWGQIWQCSA-N -1 0 346.795 2.730 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000125010390 715803641 /nfs/dbraw/zinc/80/36/41/715803641.db2.gz FHCGOPGVLQGUQC-AWEZNQCLSA-N -1 0 348.468 2.882 20 30 EFEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000121433797 724428623 /nfs/dbraw/zinc/42/86/23/724428623.db2.gz LXSZVENRNFRMRR-OAHLLOKOSA-N -1 0 342.420 2.958 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000121980139 715874378 /nfs/dbraw/zinc/87/43/78/715874378.db2.gz SFLYXTJOLITJNX-HNNXBMFYSA-N -1 0 336.395 2.620 20 30 EFEDRM Cc1ccc(OC(F)F)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000255560751 715931493 /nfs/dbraw/zinc/93/14/93/715931493.db2.gz PPQAQTMXFXABJO-FOSCPCJNSA-N -1 0 336.290 2.825 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000125303520 716017959 /nfs/dbraw/zinc/01/79/59/716017959.db2.gz YMWFVKCNUHHKSW-UHFFFAOYSA-N -1 0 336.804 2.839 20 30 EFEDRM C=C[C@@H](C)NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000155880948 716111959 /nfs/dbraw/zinc/11/19/59/716111959.db2.gz QEPCZMGOAXMOTD-CYBMUJFWSA-N -1 0 345.468 2.936 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000187585738 716118293 /nfs/dbraw/zinc/11/82/93/716118293.db2.gz MTSGTVDWYQXNDJ-GOSISDBHSA-N -1 0 349.452 2.649 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000161873241 716326830 /nfs/dbraw/zinc/32/68/30/716326830.db2.gz WOANLSFDFDDUMT-KRWDZBQOSA-N -1 0 340.404 2.557 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000052795035 716611096 /nfs/dbraw/zinc/61/10/96/716611096.db2.gz QKBFYNQAXKHKFP-UONOGXRCSA-N -1 0 326.393 2.616 20 30 EFEDRM Cc1ccc(C(C)C)c(OCC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052793130 716613667 /nfs/dbraw/zinc/61/36/67/716613667.db2.gz QCFNKIQHBPOVHJ-UHFFFAOYSA-N -1 0 340.445 2.794 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(SC(F)F)cc1 ZINC000052793355 716614598 /nfs/dbraw/zinc/61/45/98/716614598.db2.gz VACFQAWTIZHQGY-UHFFFAOYSA-N -1 0 336.385 2.647 20 30 EFEDRM O=C(CCSc1ccc(F)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795600 716622360 /nfs/dbraw/zinc/62/23/60/716622360.db2.gz QIXBEAWHYDSRIU-UHFFFAOYSA-N -1 0 346.449 2.995 20 30 EFEDRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cc2c1C ZINC000052795636 716622534 /nfs/dbraw/zinc/62/25/34/716622534.db2.gz NJDNORJLYRXIFZ-UHFFFAOYSA-N -1 0 335.429 2.820 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1C(=O)OC ZINC000176815096 716692959 /nfs/dbraw/zinc/69/29/59/716692959.db2.gz DMUDZCNTMLSIPZ-UHFFFAOYSA-N -1 0 327.340 2.502 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000176818815 716696383 /nfs/dbraw/zinc/69/63/83/716696383.db2.gz QMYWHVOGYWQAAR-UHFFFAOYSA-N -1 0 349.306 2.610 20 30 EFEDRM COc1ccc(-n2ccc(C(=O)Nc3cc(C#N)ccc3[O-])n2)cc1 ZINC000176825946 716716501 /nfs/dbraw/zinc/71/65/01/716716501.db2.gz ASZMPNHIKXAEPW-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccc(C)cc1 ZINC000176827908 716716521 /nfs/dbraw/zinc/71/65/21/716716521.db2.gz TYIZQGRGPRDVSZ-MRXNPFEDSA-N -1 0 337.379 2.778 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccccc2F)cnn1C(C)C ZINC000092693763 716894732 /nfs/dbraw/zinc/89/47/32/716894732.db2.gz DLXUEAOHAKZTJI-UHFFFAOYSA-N -1 0 325.365 2.605 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccccc1Oc1cccnc1 ZINC000052367959 716900787 /nfs/dbraw/zinc/90/07/87/716900787.db2.gz LLNLXNKZUYNBBS-UHFFFAOYSA-N -1 0 347.396 2.519 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1cccc2ccccc21 ZINC000178472378 717006509 /nfs/dbraw/zinc/00/65/09/717006509.db2.gz KZXDOWAMMUACRA-HNNXBMFYSA-N -1 0 333.347 2.544 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000125621170 717078072 /nfs/dbraw/zinc/07/80/72/717078072.db2.gz CZCDTWCPWSTNJE-KRWDZBQOSA-N -1 0 338.411 2.891 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892465039 717683870 /nfs/dbraw/zinc/68/38/70/717683870.db2.gz NMOCAQCGTCMNEP-NSHDSACASA-N -1 0 327.306 2.729 20 30 EFEDRM Cc1ccc2oc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2n1 ZINC000179613015 717803993 /nfs/dbraw/zinc/80/39/93/717803993.db2.gz INNCSJKIFJIROA-ZDUSSCGKSA-N -1 0 325.368 2.908 20 30 EFEDRM Cc1ccc2oc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2n1 ZINC000179613003 717804081 /nfs/dbraw/zinc/80/40/81/717804081.db2.gz INNCSJKIFJIROA-CYBMUJFWSA-N -1 0 325.368 2.908 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000179735079 717860150 /nfs/dbraw/zinc/86/01/50/717860150.db2.gz OQZIDHPKOBMDQI-CABCVRRESA-N -1 0 341.411 2.631 20 30 EFEDRM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179738145 717860341 /nfs/dbraw/zinc/86/03/41/717860341.db2.gz FLCWOHGZVAKKHZ-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000179740573 717861094 /nfs/dbraw/zinc/86/10/94/717861094.db2.gz HEQOPBOSASYCNO-IBGZPJMESA-N -1 0 349.390 2.956 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(F)c(C)c2)nc1C ZINC000892518028 718195281 /nfs/dbraw/zinc/19/52/81/718195281.db2.gz IKNYQUISEKKUJL-NSHDSACASA-N -1 0 331.372 2.635 20 30 EFEDRM O=C(CCc1cc(F)ccc1F)[N-]S(=O)(=O)N1CCCCC1 ZINC000066520066 718241665 /nfs/dbraw/zinc/24/16/65/718241665.db2.gz IAIAFIMTQDKEMJ-UHFFFAOYSA-N -1 0 332.372 2.585 20 30 EFEDRM O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1F ZINC000255905331 718343004 /nfs/dbraw/zinc/34/30/04/718343004.db2.gz OSGDWBNKFUQMFF-SAGYFLTASA-N -1 0 343.314 2.664 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000122147640 718383281 /nfs/dbraw/zinc/38/32/81/718383281.db2.gz GHZWSXYSGVMYFL-YOEHRIQHSA-N -1 0 345.358 2.531 20 30 EFEDRM C#CCCCS(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)nc(C)n1 ZINC000840949888 718531137 /nfs/dbraw/zinc/53/11/37/718531137.db2.gz DXXDXVOYXZGICH-UHFFFAOYSA-N -1 0 333.388 2.746 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000122236197 718696554 /nfs/dbraw/zinc/69/65/54/718696554.db2.gz DEIVLRILFRBBJY-CQSZACIVSA-N -1 0 342.362 2.644 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1Br ZINC000066741722 718989229 /nfs/dbraw/zinc/98/92/29/718989229.db2.gz GMYBILVPYDZCMU-IONNQARKSA-N -1 0 348.218 2.759 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000892754452 719122401 /nfs/dbraw/zinc/12/24/01/719122401.db2.gz WWEDCPYNSWZBQD-UHFFFAOYSA-N -1 0 327.471 2.827 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(N(C)C)c2)n1 ZINC000006606023 719125443 /nfs/dbraw/zinc/12/54/43/719125443.db2.gz KWVQGDAIVNRFCC-CQSZACIVSA-N -1 0 343.408 2.551 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2cccc(COC)c2)CC1 ZINC000892962820 719359024 /nfs/dbraw/zinc/35/90/24/719359024.db2.gz WSKZLZLQGDULMH-UHFFFAOYSA-N -1 0 337.441 2.525 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000892981908 719390980 /nfs/dbraw/zinc/39/09/80/719390980.db2.gz UKHGVFDDPIMVPD-UHFFFAOYSA-N -1 0 325.430 2.719 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1Cl)OCC ZINC000893698503 719493892 /nfs/dbraw/zinc/49/38/92/719493892.db2.gz QJWKRXWRLSXLNI-CYBMUJFWSA-N -1 0 345.848 2.825 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000893043782 719524852 /nfs/dbraw/zinc/52/48/52/719524852.db2.gz CQCLQYPDZYONRS-UHFFFAOYSA-N -1 0 335.425 2.613 20 30 EFEDRM N#C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCN1Cc1ccccc1 ZINC000893872202 720135763 /nfs/dbraw/zinc/13/57/63/720135763.db2.gz VEFDAVUEQMIAGT-QGZVFWFLSA-N -1 0 343.377 2.880 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1-c1ccccn1 ZINC000167805894 720381191 /nfs/dbraw/zinc/38/11/91/720381191.db2.gz AQMHVCKQFMWRQE-OAHLLOKOSA-N -1 0 337.379 2.604 20 30 EFEDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)C3CCCC3)c2c1 ZINC000086054968 720925978 /nfs/dbraw/zinc/92/59/78/720925978.db2.gz GBKXLQHUIPSONG-UHFFFAOYSA-N -1 0 336.413 2.948 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000078002388 721068928 /nfs/dbraw/zinc/06/89/28/721068928.db2.gz YXQZQKRDPHXNLM-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000124177301 721383748 /nfs/dbraw/zinc/38/37/48/721383748.db2.gz CWASRZSLODBDLN-LLVKDONJSA-N -1 0 343.210 2.859 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000124183917 721410149 /nfs/dbraw/zinc/41/01/49/721410149.db2.gz QMLLJHNXHCUXSE-ZDUSSCGKSA-N -1 0 343.210 2.859 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@H](C)C2 ZINC000124227533 721426465 /nfs/dbraw/zinc/42/64/65/721426465.db2.gz RPMGHISCWSKXMM-JSGCOSHPSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(C)c(C)c2c1 ZINC000124226247 721426507 /nfs/dbraw/zinc/42/65/07/721426507.db2.gz MLFLYMNZUBJKBR-INIZCTEOSA-N -1 0 341.411 2.650 20 30 EFEDRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000127463837 724766748 /nfs/dbraw/zinc/76/67/48/724766748.db2.gz ZIKJEQQPPWMEGL-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM Cc1cc(C)nc([N-]N=C2C(=O)Nc3cccc(Br)c32)n1 ZINC000017643717 722670511 /nfs/dbraw/zinc/67/05/11/722670511.db2.gz NDJWINHKUDHLPK-UHFFFAOYSA-N -1 0 346.188 2.624 20 30 EFEDRM Cc1cc(C=NNc2[n-]cnc3ncnc2-3)c(C)n1-c1nccs1 ZINC000917556304 728759777 /nfs/dbraw/zinc/75/97/77/728759777.db2.gz ZZRHYGQFXOYTKS-UHFFFAOYSA-N -1 0 338.400 2.663 20 30 EFEDRM CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000048676171 722701691 /nfs/dbraw/zinc/70/16/91/722701691.db2.gz HDLITQWWWWVXJU-UHFFFAOYSA-N -1 0 335.429 2.822 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)CCSc1ccc(Br)cc1 ZINC000049004002 723013462 /nfs/dbraw/zinc/01/34/62/723013462.db2.gz OGCMCGWXRVIMLY-UHFFFAOYSA-N -1 0 338.248 2.847 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)[N-]OCc1ccccn1 ZINC000909532558 723171621 /nfs/dbraw/zinc/17/16/21/723171621.db2.gz YZXBQLUOXJGLLK-KRWDZBQOSA-N -1 0 325.368 2.605 20 30 EFEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000181247946 728796703 /nfs/dbraw/zinc/79/67/03/728796703.db2.gz MYGKDEHPBKBNHX-HNNXBMFYSA-N -1 0 342.395 2.587 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000181257056 728803055 /nfs/dbraw/zinc/80/30/55/728803055.db2.gz ASWYQFYEBVGAFC-UHFFFAOYSA-N -1 0 348.346 2.545 20 30 EFEDRM CC#CCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000183944922 723282977 /nfs/dbraw/zinc/28/29/77/723282977.db2.gz ANCMZMNZBRYFBE-UHFFFAOYSA-N -1 0 330.409 2.573 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1C ZINC000126913584 723460672 /nfs/dbraw/zinc/46/06/72/723460672.db2.gz OZUWRCOHMYLBMB-KRWDZBQOSA-N -1 0 349.390 2.592 20 30 EFEDRM CC(C)(C)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181287918 728828303 /nfs/dbraw/zinc/82/83/03/728828303.db2.gz RIXBPAVPWYBATG-DHZHZOJOSA-N -1 0 334.441 2.747 20 30 EFEDRM CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000181297574 728841651 /nfs/dbraw/zinc/84/16/51/728841651.db2.gz KSTROOKFTCKQQW-UHFFFAOYSA-N -1 0 326.443 2.550 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3ncoc3c2)n1 ZINC000727195717 723856976 /nfs/dbraw/zinc/85/69/76/723856976.db2.gz SGXJVOSYJQKEMM-NSHDSACASA-N -1 0 341.348 2.626 20 30 EFEDRM C[C@@H](Oc1cccc(CN=Nc2cnc3ccccc3n2)c1)C(=O)[O-] ZINC000727255403 723874843 /nfs/dbraw/zinc/87/48/43/723874843.db2.gz BGXJGYGZPPGVMG-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM COC(=O)[C@@H](CC1CC1)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840709312 723877945 /nfs/dbraw/zinc/87/79/45/723877945.db2.gz BZXMRKOLRJOUFV-PFJSLNBISA-N -1 0 326.736 2.714 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)s1 ZINC000728699613 724137561 /nfs/dbraw/zinc/13/75/61/724137561.db2.gz VPEVWMMFHQXFQU-SREVYHEPSA-N -1 0 325.349 2.923 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000918482871 728881372 /nfs/dbraw/zinc/88/13/72/728881372.db2.gz FRRHTTRZUMIWJU-LBPRGKRZSA-N -1 0 346.383 2.696 20 30 EFEDRM C=C[C@@H](CC)CC(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000909523943 724198461 /nfs/dbraw/zinc/19/84/61/724198461.db2.gz CSOVSVSJBVKXLY-NSHDSACASA-N -1 0 349.349 2.692 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)NCC1CCC1)CCC2 ZINC000727652280 724290638 /nfs/dbraw/zinc/29/06/38/724290638.db2.gz GCTKKQQDYIZSBB-UHFFFAOYSA-N -1 0 335.429 2.591 20 30 EFEDRM O=C([O-])COc1ccc(Br)cc1C=NNC1CCCC1 ZINC000727651522 724290672 /nfs/dbraw/zinc/29/06/72/724290672.db2.gz COJYDIBTFIQSOJ-UHFFFAOYSA-N -1 0 341.205 2.779 20 30 EFEDRM C[C@@H](C#N)Oc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000727684091 724347597 /nfs/dbraw/zinc/34/75/97/724347597.db2.gz QCAJOELIRNLBAA-QMMMGPOBSA-N -1 0 341.318 2.759 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000121767505 724913299 /nfs/dbraw/zinc/91/32/99/724913299.db2.gz XHWDHMUJCYFJHM-INIZCTEOSA-N -1 0 337.335 2.542 20 30 EFEDRM Cc1ccc(-c2nc(C=NNc3nnc(C)c(=O)[n-]3)cs2)cc1 ZINC000918709443 728917172 /nfs/dbraw/zinc/91/71/72/728917172.db2.gz KOCYJIYYAAYPLR-UHFFFAOYSA-N -1 0 326.385 2.764 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000151521105 725516896 /nfs/dbraw/zinc/51/68/96/725516896.db2.gz CSUNZFVOPCZQDO-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCCC1 ZINC000130131211 725625989 /nfs/dbraw/zinc/62/59/89/725625989.db2.gz QWGMZSNDLBZCCJ-LZNAANCOSA-N -1 0 331.372 2.653 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(OC)c1 ZINC000263278119 725644055 /nfs/dbraw/zinc/64/40/55/725644055.db2.gz WZHPMLMFWQWLJA-DZGCQCFKSA-N -1 0 347.411 2.514 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Br)c2)C(=O)O1 ZINC000913615173 725746365 /nfs/dbraw/zinc/74/63/65/725746365.db2.gz BGWACYBWWJWDPA-DLGQBQFBSA-N -1 0 341.182 2.739 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000067600332 726306377 /nfs/dbraw/zinc/30/63/77/726306377.db2.gz YWZCXJZEPLPWIL-LBPRGKRZSA-N -1 0 332.466 2.548 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000067600331 726306401 /nfs/dbraw/zinc/30/64/01/726306401.db2.gz YWZCXJZEPLPWIL-GFCCVEGCSA-N -1 0 332.466 2.548 20 30 EFEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000067600562 726306423 /nfs/dbraw/zinc/30/64/23/726306423.db2.gz TTXXTIPLPDVKNM-ZDUSSCGKSA-N -1 0 326.443 2.981 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000929034594 726337616 /nfs/dbraw/zinc/33/76/16/726337616.db2.gz UMIFPJKHVAAOTN-VHSXEESVSA-N -1 0 346.836 2.808 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1sccc1Br ZINC000915047925 726849714 /nfs/dbraw/zinc/84/97/14/726849714.db2.gz IUEYAOQXUAVBEQ-UHFFFAOYSA-N -1 0 328.195 2.546 20 30 EFEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N([C@H](C)C#N)C1CC1 ZINC000907039496 726852497 /nfs/dbraw/zinc/85/24/97/726852497.db2.gz SERKKPCKXDPUOU-LLVKDONJSA-N -1 0 336.413 2.573 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc2c1=O ZINC000915104966 726870431 /nfs/dbraw/zinc/87/04/31/726870431.db2.gz PLDLDCZHYKOHSS-CYBMUJFWSA-N -1 0 344.330 2.565 20 30 EFEDRM C=C1CCC(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)CC1 ZINC000907414620 726935643 /nfs/dbraw/zinc/93/56/43/726935643.db2.gz ZNRXHOUBNHLDGX-AWEZNQCLSA-N -1 0 349.797 2.944 20 30 EFEDRM C[C@@H]1CCc2[nH]c3ccc(C([O-])=C(C#N)C(=O)NC4CC4)cc3c2C1 ZINC000193462376 726938792 /nfs/dbraw/zinc/93/87/92/726938792.db2.gz JIQDYMFSYKTFPC-BDJLRTHQSA-N -1 0 335.407 2.894 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000915593762 727100171 /nfs/dbraw/zinc/10/01/71/727100171.db2.gz WCSBVLOXAZIXAJ-UHFFFAOYSA-N -1 0 336.791 2.901 20 30 EFEDRM N#C[C@@]1(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC12CCCC2 ZINC000908150897 727103972 /nfs/dbraw/zinc/10/39/72/727103972.db2.gz CITZTAROMGCBEA-LJQANCHMSA-N -1 0 340.379 2.580 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC000908156125 727105176 /nfs/dbraw/zinc/10/51/76/727105176.db2.gz FHYMHIDZCZJFFT-SWKXRBFHSA-N -1 0 344.436 2.611 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1 ZINC000153700650 727124238 /nfs/dbraw/zinc/12/42/38/727124238.db2.gz QLVZFTIUQSJUOM-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000732605281 727169986 /nfs/dbraw/zinc/16/99/86/727169986.db2.gz WUAQSXOUWYQQOE-UHFFFAOYSA-N -1 0 344.392 2.624 20 30 EFEDRM C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000908590646 727226965 /nfs/dbraw/zinc/22/69/65/727226965.db2.gz JWIQMCSXNGKDAA-AWEZNQCLSA-N -1 0 333.384 2.529 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000908625645 727227620 /nfs/dbraw/zinc/22/76/20/727227620.db2.gz PAXFGZBCQWFABR-GFCCVEGCSA-N -1 0 328.290 2.780 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(OCCC(C)C)c(F)c1)C(=O)[O-] ZINC000908629028 727228368 /nfs/dbraw/zinc/22/83/68/727228368.db2.gz QVBWKRAQKKTPST-CQSZACIVSA-N -1 0 336.363 2.849 20 30 EFEDRM C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000908848411 727274924 /nfs/dbraw/zinc/27/49/24/727274924.db2.gz JDDKAKCQJNCFRY-ZDUSSCGKSA-N -1 0 338.201 2.885 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000908921099 727283795 /nfs/dbraw/zinc/28/37/95/727283795.db2.gz ZZPHQHJLHFEXPY-UHFFFAOYSA-N -1 0 347.415 2.575 20 30 EFEDRM CN(CC#N)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730215534 727286642 /nfs/dbraw/zinc/28/66/42/727286642.db2.gz GMXJRUCTSFXZDU-UHFFFAOYSA-N -1 0 349.799 2.955 20 30 EFEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909030077 727307267 /nfs/dbraw/zinc/30/72/67/727307267.db2.gz HFHJZYDJFIMMEK-LBPRGKRZSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000909059858 727316107 /nfs/dbraw/zinc/31/61/07/727316107.db2.gz IJMPTVLIHLTSME-ZACQAIPSSA-N -1 0 346.427 2.668 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000909101923 727323201 /nfs/dbraw/zinc/32/32/01/727323201.db2.gz WWLMEDGWSQYQGL-LBPRGKRZSA-N -1 0 330.306 2.615 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC1(CCOC)CCCCC1)C(=O)[O-] ZINC000909106282 727329139 /nfs/dbraw/zinc/32/91/39/727329139.db2.gz UJZYTUBFHIMIEB-AWEZNQCLSA-N -1 0 326.437 2.692 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC1(CCOC)CCCCC1)C(=O)[O-] ZINC000909106283 727329321 /nfs/dbraw/zinc/32/93/21/727329321.db2.gz UJZYTUBFHIMIEB-CQSZACIVSA-N -1 0 326.437 2.692 20 30 EFEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129259130 727333170 /nfs/dbraw/zinc/33/31/70/727333170.db2.gz XLXUFNOIAVBCAW-CYBMUJFWSA-N -1 0 325.393 2.720 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1c(F)cccc1N1CCCC1)C(=O)[O-] ZINC000909148842 727336829 /nfs/dbraw/zinc/33/68/29/727336829.db2.gz HLQZULDKVLHFKU-OAHLLOKOSA-N -1 0 349.406 2.645 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909715300 727366475 /nfs/dbraw/zinc/36/64/75/727366475.db2.gz LGLWQOXGXYXFIT-VXGBXAGGSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)c1nc2ccccc2nc1C1CC1)C(=O)[O-] ZINC000909715529 727366477 /nfs/dbraw/zinc/36/64/77/727366477.db2.gz MLJDNEHIAWTLJO-AWEZNQCLSA-N -1 0 325.368 2.656 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000909768704 727373398 /nfs/dbraw/zinc/37/33/98/727373398.db2.gz WBTVCZLCKZYTFP-DYVFJYSZSA-N -1 0 327.380 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909772615 727373707 /nfs/dbraw/zinc/37/37/07/727373707.db2.gz SYFVTAZQVPQVBD-MFKMUULPSA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](c1cccnc1)C1CCCCC1)C(=O)[O-] ZINC000909771219 727373722 /nfs/dbraw/zinc/37/37/22/727373722.db2.gz LEFDYVYCGRYEJH-DLBZAZTESA-N -1 0 346.427 2.518 20 30 EFEDRM C#Cc1cncc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC000909951957 727398425 /nfs/dbraw/zinc/39/84/25/727398425.db2.gz UAFQIGOQUWVXCX-INIZCTEOSA-N -1 0 334.375 2.611 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000910053115 727406069 /nfs/dbraw/zinc/40/60/69/727406069.db2.gz BXHQDTCRHFZLFO-AWEZNQCLSA-N -1 0 335.787 2.868 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054779 727406127 /nfs/dbraw/zinc/40/61/27/727406127.db2.gz SOPZOIVQFWAHEW-GWCFXTLKSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910054479 727406192 /nfs/dbraw/zinc/40/61/92/727406192.db2.gz PDOVTGQWZSTSPN-WTNCMQEWSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C(C)C)C(=O)[O-] ZINC000910046127 727407988 /nfs/dbraw/zinc/40/79/88/727407988.db2.gz MAJFWGBLHGPVKX-HNNXBMFYSA-N -1 0 339.395 2.510 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910047136 727408007 /nfs/dbraw/zinc/40/80/07/727408007.db2.gz YWOJOSSQTNKXMI-CYBMUJFWSA-N -1 0 327.302 2.621 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910048301 727408097 /nfs/dbraw/zinc/40/80/97/727408097.db2.gz IIPRJUBUKHYCKT-WFTPILKQSA-N -1 0 327.380 2.614 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104732 727412715 /nfs/dbraw/zinc/41/27/15/727412715.db2.gz WXZHEKIDBJMKNW-KXBFYZLASA-N -1 0 331.412 2.656 20 30 EFEDRM C=CC[C@@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000910120451 727415318 /nfs/dbraw/zinc/41/53/18/727415318.db2.gz RSFISOGSAUUFDJ-MRXNPFEDSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCCC[C@@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910226859 727420065 /nfs/dbraw/zinc/42/00/65/727420065.db2.gz CXZSSZJHVMYNCU-OIISXLGYSA-N -1 0 331.412 2.827 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC000910287332 727427879 /nfs/dbraw/zinc/42/78/79/727427879.db2.gz OIVMILNYDWYNQN-QMMMGPOBSA-N -1 0 339.442 2.573 20 30 EFEDRM Cc1nc(N2CCC(Cc3nc(C(=O)[O-])cs3)CC2)ccc1C#N ZINC000910488010 727446004 /nfs/dbraw/zinc/44/60/04/727446004.db2.gz OLWNWOWLBMWDNY-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910614549 727453374 /nfs/dbraw/zinc/45/33/74/727453374.db2.gz BAFAYDKOYBKQQR-DSRNLFJRSA-N -1 0 343.423 2.875 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1)OCC ZINC000910776809 727464669 /nfs/dbraw/zinc/46/46/69/727464669.db2.gz YWQHTFBVYPMFKF-DOTOQJQBSA-N -1 0 335.400 2.651 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC2CC(CC(=O)[O-])C2)cc1OC ZINC000910804843 727466740 /nfs/dbraw/zinc/46/67/40/727466740.db2.gz LZFIQHOFSFCCJB-ALCCZGGFSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c(O)c(OC)c1)C(=O)[O-] ZINC000910914234 727471637 /nfs/dbraw/zinc/47/16/37/727471637.db2.gz DUDSZYANPOTUAR-LLVKDONJSA-N -1 0 327.764 2.594 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C(=O)[O-] ZINC000910913781 727471659 /nfs/dbraw/zinc/47/16/59/727471659.db2.gz CIQGWDRGCNUJHV-QGZVFWFLSA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)[O-] ZINC000910913438 727471699 /nfs/dbraw/zinc/47/16/99/727471699.db2.gz WTWZVLJQQOSVKA-NSHDSACASA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2)C(=O)[O-] ZINC000910914707 727471824 /nfs/dbraw/zinc/47/18/24/727471824.db2.gz NFKRQRWAFRQOCU-RISCZKNCSA-N -1 0 333.384 2.558 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000910918048 727471990 /nfs/dbraw/zinc/47/19/90/727471990.db2.gz WQNKLHRSVLVDMU-ZDUSSCGKSA-N -1 0 333.384 2.619 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1Br)C(=O)[O-] ZINC000910918989 727472174 /nfs/dbraw/zinc/47/21/74/727472174.db2.gz SJIKTTMBFSAALO-LBPRGKRZSA-N -1 0 326.190 2.988 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc2cc(OC)ccc2c1)C(=O)[O-] ZINC000910924296 727472360 /nfs/dbraw/zinc/47/23/60/727472360.db2.gz ZFYWMAWGHLGGCP-HNNXBMFYSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2F)C1)C(=O)[O-] ZINC000910924853 727472371 /nfs/dbraw/zinc/47/23/71/727472371.db2.gz FKZQRPRBRDHRQY-UKRRQHHQSA-N -1 0 334.391 2.578 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)C(=O)[O-] ZINC000910925960 727472461 /nfs/dbraw/zinc/47/24/61/727472461.db2.gz PBDLOSQPAGUGRY-LBPRGKRZSA-N -1 0 330.306 2.569 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000129334957 727489470 /nfs/dbraw/zinc/48/94/70/727489470.db2.gz GOFOEKKANLILNW-KRWDZBQOSA-N -1 0 347.374 2.540 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)cc21 ZINC000911082237 727490909 /nfs/dbraw/zinc/49/09/09/727490909.db2.gz JLNHSPWMIWBWAX-GOEBONIOSA-N -1 0 343.383 2.573 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911063915 727493397 /nfs/dbraw/zinc/49/33/97/727493397.db2.gz PNCNKAFQNAZTOG-CYBMUJFWSA-N -1 0 331.290 2.540 20 30 EFEDRM C=CCc1cc(C(=O)N(CCC)[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000911709946 727585872 /nfs/dbraw/zinc/58/58/72/727585872.db2.gz BLILOHZDWDAZMN-LBPRGKRZSA-N -1 0 335.400 2.758 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911746257 727592414 /nfs/dbraw/zinc/59/24/14/727592414.db2.gz GLVCSLDULFAJNC-UHFFFAOYSA-N -1 0 331.416 2.624 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccccc2OCC(=O)[O-])cc1 ZINC000915923266 727640411 /nfs/dbraw/zinc/64/04/11/727640411.db2.gz ISGNFXIWIGWRHA-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000915925587 727640675 /nfs/dbraw/zinc/64/06/75/727640675.db2.gz PZORSFGWESXZFC-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000915927996 727640860 /nfs/dbraw/zinc/64/08/60/727640860.db2.gz MMARCLPYPDSLIT-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM O=C([O-])CCOc1ccc(CN=Nc2ncnc3sccc32)cc1 ZINC000915955293 727642220 /nfs/dbraw/zinc/64/22/20/727642220.db2.gz CLSCTHYSJYXMEC-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM O=C([O-])CCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000915932815 727642635 /nfs/dbraw/zinc/64/26/35/727642635.db2.gz CTODOQSWTAQGTG-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000915934213 727642715 /nfs/dbraw/zinc/64/27/15/727642715.db2.gz WKXLLGUBYXETQE-UHFFFAOYSA-N -1 0 327.340 2.885 20 30 EFEDRM O=C([O-])CCOc1ccc(CN=Nc2nncc3ccccc32)cc1 ZINC000915937475 727642968 /nfs/dbraw/zinc/64/29/68/727642968.db2.gz JLQKNUDKVMXRHL-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM O=C([O-])c1cc(N=NC2CCN(c3cnccn3)CC2)ccc1Cl ZINC000915939783 727643016 /nfs/dbraw/zinc/64/30/16/727643016.db2.gz VITILYRTQYZWSU-UHFFFAOYSA-N -1 0 345.790 2.897 20 30 EFEDRM Cn1c2ccccc2nc1NN=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000915967793 727643785 /nfs/dbraw/zinc/64/37/85/727643785.db2.gz OWVOWAUHMDOBPC-UHFFFAOYSA-N -1 0 338.367 2.873 20 30 EFEDRM Cc1csc([C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(F)(F)F)n1 ZINC000915986615 727645983 /nfs/dbraw/zinc/64/59/83/727645983.db2.gz WIZQISURQBEMTE-MRVPVSSYSA-N -1 0 341.380 2.524 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)sc1C ZINC000916177788 727663869 /nfs/dbraw/zinc/66/38/69/727663869.db2.gz BQULRCSJCAKXMK-UHFFFAOYSA-N -1 0 348.449 2.999 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Br)s1 ZINC000916282954 727671411 /nfs/dbraw/zinc/67/14/11/727671411.db2.gz VJVNDCKEXFDAII-UHFFFAOYSA-N -1 0 328.195 2.546 20 30 EFEDRM Cc1cccc2cc(C=Nn3c([S-])nnc(C)c3=O)c(Cl)nc12 ZINC000916303975 727675241 /nfs/dbraw/zinc/67/52/41/727675241.db2.gz WZSUHTPYQSHMRF-UHFFFAOYSA-N -1 0 345.815 2.628 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OCCC ZINC000129419949 727706090 /nfs/dbraw/zinc/70/60/90/727706090.db2.gz WPBXGWCXQGPBKZ-OAHLLOKOSA-N -1 0 344.411 2.865 20 30 EFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)c1C ZINC000916804351 727736793 /nfs/dbraw/zinc/73/67/93/727736793.db2.gz KCMCIEMYGIJQMX-UHFFFAOYSA-N -1 0 342.420 2.911 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000916917068 727741695 /nfs/dbraw/zinc/74/16/95/727741695.db2.gz GYLBFFACMHIBNE-QGZVFWFLSA-N -1 0 347.374 2.564 20 30 EFEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000916927585 727741804 /nfs/dbraw/zinc/74/18/04/727741804.db2.gz XQXKANSDLHWFBN-GFCCVEGCSA-N -1 0 328.393 2.897 20 30 EFEDRM Cc1nnc(NN=C2CCOc3c(Cl)cc(Cl)cc32)[n-]c1=O ZINC000912791213 727743369 /nfs/dbraw/zinc/74/33/69/727743369.db2.gz KGGLRQODPOKNTN-UHFFFAOYSA-N -1 0 340.170 2.791 20 30 EFEDRM Cc1ccc(-c2ccc(C=Nn3c(=O)c(C)n[n-]c3=S)o2)cc1 ZINC000912785114 727744194 /nfs/dbraw/zinc/74/41/94/727744194.db2.gz OUZSYYITJMSRPN-UHFFFAOYSA-N -1 0 326.381 2.686 20 30 EFEDRM O=C1C(=N[N-]c2ncccn2)c2ccccc2N1Cc1ccccc1 ZINC000912973004 727767310 /nfs/dbraw/zinc/76/73/10/727767310.db2.gz DGPHSYPPLQVLRS-UHFFFAOYSA-N -1 0 329.363 2.840 20 30 EFEDRM COC(=O)C[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000151104644 727779252 /nfs/dbraw/zinc/77/92/52/727779252.db2.gz ZFNPABXSXMVXHJ-GWCFXTLKSA-N -1 0 326.352 2.567 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913494793 727849378 /nfs/dbraw/zinc/84/93/78/727849378.db2.gz CTDUSWOSPXGPAC-HUUCEWRRSA-N -1 0 337.468 2.876 20 30 EFEDRM Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000054801202 727880084 /nfs/dbraw/zinc/88/00/84/727880084.db2.gz NQJJODOLLLXYKL-UHFFFAOYSA-N -1 0 343.408 2.851 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1OC1CCCC1 ZINC000129553056 727891252 /nfs/dbraw/zinc/89/12/52/727891252.db2.gz KODAOBKQFZITPB-OAHLLOKOSA-N -1 0 342.395 2.618 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1C ZINC000163917385 727896545 /nfs/dbraw/zinc/89/65/45/727896545.db2.gz DLAVSHFEQOHOJR-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(F)c(Br)c1 ZINC000164276658 727923360 /nfs/dbraw/zinc/92/33/60/727923360.db2.gz WMNPJAHQJLAFDH-UHFFFAOYSA-N -1 0 331.141 2.693 20 30 EFEDRM CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)cc2[O-])cs1)C1CC1 ZINC000156638078 727942333 /nfs/dbraw/zinc/94/23/33/727942333.db2.gz AOPAQCZQWANZAN-FARCUNLSSA-N -1 0 344.392 2.966 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000045099806 727972483 /nfs/dbraw/zinc/97/24/83/727972483.db2.gz MPSMJXQYUXVSOE-UHFFFAOYSA-N -1 0 329.299 2.939 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000045100114 727972649 /nfs/dbraw/zinc/97/26/49/727972649.db2.gz PYSDCTKHEDZJKO-UHFFFAOYSA-N -1 0 329.299 2.939 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1 ZINC000166793427 728145002 /nfs/dbraw/zinc/14/50/02/728145002.db2.gz BCUGZAXNVGFNJO-AWEZNQCLSA-N -1 0 331.416 2.888 20 30 EFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000058150854 728146699 /nfs/dbraw/zinc/14/66/99/728146699.db2.gz GMNIZGWHHMBYLI-UHFFFAOYSA-N -1 0 340.788 2.578 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2c(C)noc2C)c1 ZINC000058185247 728149836 /nfs/dbraw/zinc/14/98/36/728149836.db2.gz LRMDZQVHNSNFPO-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1c(CC)nn(C)c1CC ZINC000157728605 728205011 /nfs/dbraw/zinc/20/50/11/728205011.db2.gz LOOIAWFIHWZZJK-UHFFFAOYSA-N -1 0 343.493 2.710 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000157986121 728268844 /nfs/dbraw/zinc/26/88/44/728268844.db2.gz JRYNHVCJIIPABS-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000046929933 728324778 /nfs/dbraw/zinc/32/47/78/728324778.db2.gz WPBTZXOSFLWZJR-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000046927672 728325681 /nfs/dbraw/zinc/32/56/81/728325681.db2.gz LGKLICUWBWDQSB-UHFFFAOYSA-N -1 0 334.353 2.851 20 30 EFEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928837 728325783 /nfs/dbraw/zinc/32/57/83/728325783.db2.gz ANZZJMUUNAFBRO-UHFFFAOYSA-N -1 0 326.786 2.967 20 30 EFEDRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)[N-]S(C)(=O)=O)c1 ZINC000076758411 728381852 /nfs/dbraw/zinc/38/18/52/728381852.db2.gz WFCKTAVDDHDYOZ-UHFFFAOYSA-N -1 0 346.836 2.979 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2F)c1 ZINC000060765096 728421167 /nfs/dbraw/zinc/42/11/67/728421167.db2.gz OQGPXSAOSQYRHZ-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000061067261 728475005 /nfs/dbraw/zinc/47/50/05/728475005.db2.gz OGMNIQYSLNDJID-UHFFFAOYSA-N -1 0 334.397 2.758 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)CC1 ZINC000382490035 728496647 /nfs/dbraw/zinc/49/66/47/728496647.db2.gz CDJRGRIZRRQXPQ-UHFFFAOYSA-N -1 0 337.441 2.580 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(=O)[nH]1 ZINC000062674866 728596066 /nfs/dbraw/zinc/59/60/66/728596066.db2.gz SRCJQJKIABVZQZ-UHFFFAOYSA-N -1 0 348.424 2.611 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)[O-] ZINC000232044576 728646883 /nfs/dbraw/zinc/64/68/83/728646883.db2.gz VYEJVJLZKVZOIQ-LLVKDONJSA-N -1 0 339.189 2.664 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccccc2C)cc1 ZINC000154967222 729015972 /nfs/dbraw/zinc/01/59/72/729015972.db2.gz ZKBDMPNUGSMSAQ-SFHVURJKSA-N -1 0 336.391 2.685 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000154988679 729030216 /nfs/dbraw/zinc/03/02/16/729030216.db2.gz AOFJGMWBZBGGQG-CYBMUJFWSA-N -1 0 346.770 2.623 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604847 729047185 /nfs/dbraw/zinc/04/71/85/729047185.db2.gz ADTRBXYAVPTLQM-QMMMGPOBSA-N -1 0 325.308 2.776 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)c2)cc1 ZINC000155030014 729057675 /nfs/dbraw/zinc/05/76/75/729057675.db2.gz OMMWXYUWTSZSBA-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1 ZINC000155029609 729057687 /nfs/dbraw/zinc/05/76/87/729057687.db2.gz JQTQXULCLYFIIT-AWEZNQCLSA-N -1 0 328.393 2.704 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1csc(C2CC2)n1 ZINC000920371670 729176651 /nfs/dbraw/zinc/17/66/51/729176651.db2.gz YLLGMUICXNXAMV-UHFFFAOYSA-N -1 0 328.422 2.901 20 30 EFEDRM N#CCc1ccc(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000921249763 729280871 /nfs/dbraw/zinc/28/08/71/729280871.db2.gz CBSALGAUBDPGNY-UHFFFAOYSA-N -1 0 344.754 2.907 20 30 EFEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064696942 729509197 /nfs/dbraw/zinc/50/91/97/729509197.db2.gz HHZFGYTZLNWBDL-UHFFFAOYSA-N -1 0 332.740 2.777 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000175685334 729516245 /nfs/dbraw/zinc/51/62/45/729516245.db2.gz BRRPLZLGKIAHQP-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000179566786 729593648 /nfs/dbraw/zinc/59/36/48/729593648.db2.gz IQGUWFDVHQSDJC-UHFFFAOYSA-N -1 0 348.811 2.833 20 30 EFEDRM CCCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000179981025 729661498 /nfs/dbraw/zinc/66/14/98/729661498.db2.gz AROQRDMTQCKNBE-KRWDZBQOSA-N -1 0 327.428 2.914 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000068335870 729666235 /nfs/dbraw/zinc/66/62/35/729666235.db2.gz MKVSCSIRSWTBQG-NSHDSACASA-N -1 0 339.413 2.929 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(C2CC2)n[nH]1 ZINC000068338277 729671894 /nfs/dbraw/zinc/67/18/94/729671894.db2.gz QCFHWROWTNLJRU-UHFFFAOYSA-N -1 0 343.767 2.773 20 30 EFEDRM C=CCN(Cc1ccc(C)cc1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC001465118059 804179232 /nfs/dbraw/zinc/17/92/32/804179232.db2.gz VNKXPCWWMQIFTF-CVEARBPZSA-N -1 0 337.441 2.566 20 30 EFEDRM C=CCCC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000737527957 939056628 /nfs/dbraw/zinc/05/66/28/939056628.db2.gz WOQSOQONWZTCRN-KRWDZBQOSA-N -1 0 345.374 2.836 20 30 EFEDRM C#CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000797743757 939206052 /nfs/dbraw/zinc/20/60/52/939206052.db2.gz NWMUJQIDKGRNBY-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000797757983 939211822 /nfs/dbraw/zinc/21/18/22/939211822.db2.gz XBNDHXBEKUWUCW-INIZCTEOSA-N -1 0 341.367 2.984 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746591 939266282 /nfs/dbraw/zinc/26/62/82/939266282.db2.gz YTEKVKZJEVUZOI-MFKMUULPSA-N -1 0 345.317 2.929 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccccc2CC(=O)[O-])ccc1C#N ZINC001611033461 970857979 /nfs/dbraw/zinc/85/79/79/970857979.db2.gz IWABWXPMQKCWMZ-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001601085025 970929913 /nfs/dbraw/zinc/92/99/13/970929913.db2.gz LFYGIYXBSUUCFH-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001601088935 970929950 /nfs/dbraw/zinc/92/99/50/970929950.db2.gz AJVZWUYYTJUZTH-UHFFFAOYSA-N -1 0 338.338 2.744 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001601093941 970930858 /nfs/dbraw/zinc/93/08/58/970930858.db2.gz JPLNNCGKTUWBIV-OAHLLOKOSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)nc1 ZINC001601111153 970935072 /nfs/dbraw/zinc/93/50/72/970935072.db2.gz TUDVWOOLNUIXFN-UHFFFAOYSA-N -1 0 325.324 2.939 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCc1ccccc1CC(=O)[O-] ZINC000325276193 971200848 /nfs/dbraw/zinc/20/08/48/971200848.db2.gz IQVKTPKVPYQRMS-UHFFFAOYSA-N -1 0 340.404 2.859 20 30 EFEDRM C#C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001602672970 971239040 /nfs/dbraw/zinc/23/90/40/971239040.db2.gz RTVRWOJGVNHVFB-MRXNPFEDSA-N -1 0 343.766 2.908 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001602679845 971262400 /nfs/dbraw/zinc/26/24/00/971262400.db2.gz XCIXGQSPOBDGMN-RVDMUPIBSA-N -1 0 343.379 2.974 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001602683383 971272911 /nfs/dbraw/zinc/27/29/11/971272911.db2.gz COJHXGCMQBSLQY-HIFRSBDPSA-N -1 0 334.803 2.706 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC001602683571 971273972 /nfs/dbraw/zinc/27/39/72/971273972.db2.gz FWBXYFREVDKEAR-CRAIPNDOSA-N -1 0 328.412 2.676 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC001602685601 971282370 /nfs/dbraw/zinc/28/23/70/971282370.db2.gz AUNFXQAEOKXJDT-UHFFFAOYSA-N -1 0 336.391 2.891 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001602688053 971287399 /nfs/dbraw/zinc/28/73/99/971287399.db2.gz AVVKBXVMGQQZRO-UHFFFAOYSA-N -1 0 343.314 2.565 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001602688502 971290817 /nfs/dbraw/zinc/29/08/17/971290817.db2.gz NRKORYVNWANHCC-UHFFFAOYSA-N -1 0 329.400 2.619 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602719145 971381554 /nfs/dbraw/zinc/38/15/54/971381554.db2.gz SFBWLRUZVMDUAF-INIZCTEOSA-N -1 0 343.427 2.815 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1OC ZINC001602728785 971396050 /nfs/dbraw/zinc/39/60/50/971396050.db2.gz FCIZEXIXFMZWFO-XCEBJIORSA-N -1 0 345.395 2.737 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001602728967 971398431 /nfs/dbraw/zinc/39/84/31/971398431.db2.gz RVQMWIHSDCNKSZ-QGZVFWFLSA-N -1 0 335.425 2.528 20 30 EFEDRM C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602730071 971405881 /nfs/dbraw/zinc/40/58/81/971405881.db2.gz RHABSCJHNFSXRK-LBPRGKRZSA-N -1 0 336.436 2.641 20 30 EFEDRM CC(C)(C#N)CCCCN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000327802652 971426625 /nfs/dbraw/zinc/42/66/25/971426625.db2.gz UZPRULYRRWEMFW-UHFFFAOYSA-N -1 0 343.383 2.873 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000826461626 948347011 /nfs/dbraw/zinc/34/70/11/948347011.db2.gz BISHRNGRMUVPPA-BAQGIRSFSA-N -1 0 338.298 2.600 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001602786442 971534257 /nfs/dbraw/zinc/53/42/57/971534257.db2.gz QUVSZQZBEGUNNP-UPJWGTAASA-N -1 0 331.372 2.694 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 ZINC001589591980 949096388 /nfs/dbraw/zinc/09/63/88/949096388.db2.gz UVSNBSQCXKZDQF-ZBTAVZRMSA-N -1 0 329.396 2.837 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2cccs2)s1 ZINC001595227335 949310913 /nfs/dbraw/zinc/31/09/13/949310913.db2.gz YATPCCFFJGHAIC-UHFFFAOYSA-N -1 0 336.423 2.937 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589674233 949973474 /nfs/dbraw/zinc/97/34/74/949973474.db2.gz HJOCCGNHZFOTCR-DLBZAZTESA-N -1 0 344.411 2.567 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000316522272 950882130 /nfs/dbraw/zinc/88/21/30/950882130.db2.gz OOSRDPUEJAJBQR-UHFFFAOYSA-N -1 0 334.681 2.911 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)CCCCC(=O)[O-])cc1C#N ZINC001590958453 951028602 /nfs/dbraw/zinc/02/86/02/951028602.db2.gz ORONPIGISGWPSZ-UHFFFAOYSA-N -1 0 333.344 2.710 20 30 EFEDRM O=C([O-])C[C@@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001594987938 951031183 /nfs/dbraw/zinc/03/11/83/951031183.db2.gz OWZDXMIJEDQNCU-ZDUSSCGKSA-N -1 0 339.313 2.770 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001589304984 953730612 /nfs/dbraw/zinc/73/06/12/953730612.db2.gz OVVQKEKSKPRYDJ-YPMHNXCESA-N -1 0 332.404 2.832 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSCc1ccc(C#N)cc1 ZINC001589306686 953748096 /nfs/dbraw/zinc/74/80/96/953748096.db2.gz WBODAVOQBIAMIJ-SWLSCSKDSA-N -1 0 332.425 2.503 20 30 EFEDRM CN(CCOc1ccccc1C(C)(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593754526 954439663 /nfs/dbraw/zinc/43/96/63/954439663.db2.gz KUUMLXNBZSNKIS-IBGZPJMESA-N -1 0 346.427 2.826 20 30 EFEDRM CN(Cc1cc(C#N)cs1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593755804 954451839 /nfs/dbraw/zinc/45/18/39/954451839.db2.gz SRMZBCFULSAVLP-UHFFFAOYSA-N -1 0 329.381 2.911 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)C(CC)(CC)C(=O)[O-])c1 ZINC001589427069 954637897 /nfs/dbraw/zinc/63/78/97/954637897.db2.gz YMXAUURTNMZWLX-CQSZACIVSA-N -1 0 332.400 2.875 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001602993643 972031696 /nfs/dbraw/zinc/03/16/96/972031696.db2.gz OFGWLRMBOHPHDC-MRXNPFEDSA-N -1 0 339.351 2.694 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000780569131 955341143 /nfs/dbraw/zinc/34/11/43/955341143.db2.gz RSCJBMQZCGJINH-QGZVFWFLSA-N -1 0 338.363 2.516 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000780568512 955342059 /nfs/dbraw/zinc/34/20/59/955342059.db2.gz MAFSODDRCLEQRS-KRWDZBQOSA-N -1 0 338.363 2.516 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000817859992 955370373 /nfs/dbraw/zinc/37/03/73/955370373.db2.gz XQZKUIJIUSROCU-FRRDWIJNSA-N -1 0 331.372 2.552 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000817859993 955370899 /nfs/dbraw/zinc/37/08/99/955370899.db2.gz XQZKUIJIUSROCU-JHJVBQTASA-N -1 0 331.372 2.552 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000819864753 955459204 /nfs/dbraw/zinc/45/92/04/955459204.db2.gz CZSPLWAMHCVNOO-INIZCTEOSA-N -1 0 347.371 2.816 20 30 EFEDRM CCCCCCCS(=O)(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000829983586 955540702 /nfs/dbraw/zinc/54/07/02/955540702.db2.gz ZKJIUFYUDGRWNT-MRXNPFEDSA-N -1 0 339.457 2.971 20 30 EFEDRM C#CCSCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000840986918 955568047 /nfs/dbraw/zinc/56/80/47/955568047.db2.gz VEHXZHMYOLWYJL-UHFFFAOYSA-N -1 0 346.452 2.640 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000843320111 955627787 /nfs/dbraw/zinc/62/77/87/955627787.db2.gz FFRAGJLYFWDOOG-UPJWGTAASA-N -1 0 331.372 2.552 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000846795660 955730566 /nfs/dbraw/zinc/73/05/66/955730566.db2.gz VXAXZRDBOCKGEM-UHOFOFEASA-N -1 0 344.411 2.956 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001594567859 955854441 /nfs/dbraw/zinc/85/44/41/955854441.db2.gz MGRXYGRLESPKGU-UHFFFAOYSA-N -1 0 347.330 2.876 20 30 EFEDRM N#Cc1sc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)nc1Cl ZINC000852912813 955855018 /nfs/dbraw/zinc/85/50/18/955855018.db2.gz XFGKKSVCXNYRJL-WDEREUQCSA-N -1 0 333.800 2.973 20 30 EFEDRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(C#N)c1 ZINC001589101455 955999509 /nfs/dbraw/zinc/99/95/09/955999509.db2.gz LNEPHIDTKLYPJP-ZIAGYGMSSA-N -1 0 329.400 2.906 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(C#N)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108885 956053050 /nfs/dbraw/zinc/05/30/50/956053050.db2.gz PMNJYFCSANAWIS-JIMOISOXSA-N -1 0 335.429 2.554 20 30 EFEDRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593920644 956073367 /nfs/dbraw/zinc/07/33/67/956073367.db2.gz NFLGNHMOMIEXKB-SJCJKPOMSA-N -1 0 338.363 2.502 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001594601516 956135623 /nfs/dbraw/zinc/13/56/23/956135623.db2.gz OMBSLIQPZYYOQW-HKUYNNGSSA-N -1 0 348.402 2.970 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001594601528 956136812 /nfs/dbraw/zinc/13/68/12/956136812.db2.gz OMBSLIQPZYYOQW-IEBWSBKVSA-N -1 0 348.402 2.970 20 30 EFEDRM N#C[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1Br ZINC001594602496 956147155 /nfs/dbraw/zinc/14/71/55/956147155.db2.gz XJNLCQWNDISFQW-LBPRGKRZSA-N -1 0 339.189 2.775 20 30 EFEDRM N#C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC001594602601 956148429 /nfs/dbraw/zinc/14/84/29/956148429.db2.gz YDNDNELSHKOUOW-JTQLQIEISA-N -1 0 327.167 2.929 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594602745 956151216 /nfs/dbraw/zinc/15/12/16/956151216.db2.gz YWEDWTKBLDSZNG-QGZVFWFLSA-N -1 0 328.412 2.862 20 30 EFEDRM N#CC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCC1 ZINC001594603319 956154536 /nfs/dbraw/zinc/15/45/36/956154536.db2.gz AEIHRFWMQHJAKE-UHFFFAOYSA-N -1 0 341.411 2.968 20 30 EFEDRM N#CC1(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)CCCCC1 ZINC001594603919 956158961 /nfs/dbraw/zinc/15/89/61/956158961.db2.gz LIWKIYVTQBQLHF-UHFFFAOYSA-N -1 0 344.367 2.697 20 30 EFEDRM N#CC1(CCCOC(=O)/C=C/c2ccc(C(=O)[O-])o2)CCOCC1 ZINC001594604416 956161337 /nfs/dbraw/zinc/16/13/37/956161337.db2.gz SVWAXIQSBYKAIN-HWKANZROSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001594609132 956191036 /nfs/dbraw/zinc/19/10/36/956191036.db2.gz QIABPBBMEKRYTR-CZUORRHYSA-N -1 0 346.383 2.578 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594609728 956194552 /nfs/dbraw/zinc/19/45/52/956194552.db2.gz JIEDVLIMTQZQST-LBPRGKRZSA-N -1 0 349.362 2.837 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594609725 956194677 /nfs/dbraw/zinc/19/46/77/956194677.db2.gz JIEDVLIMTQZQST-GFCCVEGCSA-N -1 0 349.362 2.837 20 30 EFEDRM N#CCOc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001594611176 956210426 /nfs/dbraw/zinc/21/04/26/956210426.db2.gz IOBQQDRZYDPPRW-ZDUSSCGKSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CCn1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC001594611269 956212390 /nfs/dbraw/zinc/21/23/90/956212390.db2.gz PZSUJTVBJMTLRK-CQSZACIVSA-N -1 0 339.395 2.882 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594611797 956220217 /nfs/dbraw/zinc/22/02/17/956220217.db2.gz FKTFYTAMWSGTRG-UHFFFAOYSA-N -1 0 325.368 2.947 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc12 ZINC001594613845 956226902 /nfs/dbraw/zinc/22/69/02/956226902.db2.gz DCYDQDBHXUAYDN-MRXNPFEDSA-N -1 0 337.310 2.734 20 30 EFEDRM N#Cc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C3CC3)n2)cc1 ZINC001594616991 956245409 /nfs/dbraw/zinc/24/54/09/956245409.db2.gz ALYVCQDVZVOFSZ-ZDUSSCGKSA-N -1 0 327.365 2.731 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001594617881 956256721 /nfs/dbraw/zinc/25/67/21/956256721.db2.gz OFODLMHPWMDPMK-CYBMUJFWSA-N -1 0 335.363 2.637 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c(F)c1 ZINC001594617950 956257247 /nfs/dbraw/zinc/25/72/47/956257247.db2.gz UGLPJSJTUHDXKD-UHFFFAOYSA-N -1 0 346.339 2.782 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)cc1 ZINC001594618169 956261464 /nfs/dbraw/zinc/26/14/64/956261464.db2.gz HCHSRXHSTUEFBV-UHFFFAOYSA-N -1 0 333.347 2.581 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594618450 956264371 /nfs/dbraw/zinc/26/43/71/956264371.db2.gz PJJFRDVRKPLFLL-CQSZACIVSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)NCC3(C(=O)[O-])CCC3)CC2)cc1 ZINC001594618682 956265794 /nfs/dbraw/zinc/26/57/94/956265794.db2.gz VWPRCHPTKMGAJW-UHFFFAOYSA-N -1 0 341.411 2.702 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Nc2cccnc2C(=O)[O-])C2CC2)cc1 ZINC001594618744 956267427 /nfs/dbraw/zinc/26/74/27/956267427.db2.gz ZARVDTYITAINSO-UHFFFAOYSA-N -1 0 336.351 2.848 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000899310888 956280388 /nfs/dbraw/zinc/28/03/88/956280388.db2.gz IFOBGQPVHPSZAC-OAHLLOKOSA-N -1 0 330.384 2.950 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc21 ZINC000899316682 956287254 /nfs/dbraw/zinc/28/72/54/956287254.db2.gz HQTQAGWMPOGDSX-KRWDZBQOSA-N -1 0 328.372 2.551 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC001594622615 956291083 /nfs/dbraw/zinc/29/10/83/956291083.db2.gz ALRVZHQPSAMSNQ-WAAGHKOSSA-N -1 0 327.262 2.562 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001594623104 956295395 /nfs/dbraw/zinc/29/53/95/956295395.db2.gz UKBNPXVITGWSMW-AWEZNQCLSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)cc1 ZINC001594624948 956304685 /nfs/dbraw/zinc/30/46/85/956304685.db2.gz CMPXWLGJRDOULC-SHTZXODSSA-N -1 0 336.347 2.944 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901464031 956318925 /nfs/dbraw/zinc/31/89/25/956318925.db2.gz FBILSKWNOSEVJI-GOSISDBHSA-N -1 0 336.391 2.530 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cn2)c1 ZINC001594628754 956335824 /nfs/dbraw/zinc/33/58/24/956335824.db2.gz ODVYOJSIDBTVSX-INIZCTEOSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594631943 956347709 /nfs/dbraw/zinc/34/77/09/956347709.db2.gz NZAFLSYEDWKMDX-OKILXGFUSA-N -1 0 336.347 2.944 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594632176 956350432 /nfs/dbraw/zinc/35/04/32/956350432.db2.gz SHEFQDSBYCNCIW-UHFFFAOYSA-N -1 0 346.452 2.943 20 30 EFEDRM N#Cc1sc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nc1Cl ZINC001594635049 956366757 /nfs/dbraw/zinc/36/67/57/956366757.db2.gz HQSZSGCMEJCCLS-QMMMGPOBSA-N -1 0 342.808 2.777 20 30 EFEDRM C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC000901693574 956420035 /nfs/dbraw/zinc/42/00/35/956420035.db2.gz CIOOZNMPKJTKSL-RHSMWYFYSA-N -1 0 340.423 2.939 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901734838 956445979 /nfs/dbraw/zinc/44/59/79/956445979.db2.gz YKUJIAJYLLLZNI-SJORKVTESA-N -1 0 331.412 2.514 20 30 EFEDRM O=C([O-])C1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001594667903 956595375 /nfs/dbraw/zinc/59/53/75/956595375.db2.gz PJNFHZPTSBIMAH-UHFFFAOYSA-N -1 0 339.313 2.817 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC001589196775 956617938 /nfs/dbraw/zinc/61/79/38/956617938.db2.gz WWJXYIBFDMGCRT-LJQANCHMSA-N -1 0 339.395 2.882 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001589211117 956689302 /nfs/dbraw/zinc/68/93/02/956689302.db2.gz IXYIEQJTUQVCJC-LJQANCHMSA-N -1 0 326.396 2.765 20 30 EFEDRM C#CCN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000389063860 972205417 /nfs/dbraw/zinc/20/54/17/972205417.db2.gz TVNABNGUZIAAFL-UHFFFAOYSA-N -1 0 325.162 2.553 20 30 EFEDRM COCCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593995519 956887931 /nfs/dbraw/zinc/88/79/31/956887931.db2.gz FHZSJGSKCZGMOP-SREVYHEPSA-N -1 0 340.335 2.542 20 30 EFEDRM C[C@](CNC(=O)C1(c2cccc(C#N)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC001603168652 972268467 /nfs/dbraw/zinc/26/84/67/972268467.db2.gz WWGRHOWJIOXXJG-HXUWFJFHSA-N -1 0 348.402 2.749 20 30 EFEDRM N#CCc1ccc(NC(=O)CSc2ncccc2C(=O)[O-])cc1 ZINC000390318296 972275547 /nfs/dbraw/zinc/27/55/47/972275547.db2.gz PREXJJUZFOINCM-UHFFFAOYSA-N -1 0 327.365 2.577 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1 ZINC001594281578 957751441 /nfs/dbraw/zinc/75/14/41/957751441.db2.gz VWJNHPDEWWJIJM-AWEZNQCLSA-N -1 0 338.367 2.501 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594042225 957883842 /nfs/dbraw/zinc/88/38/42/957883842.db2.gz HNHXOQQPBBBOER-DLBZAZTESA-N -1 0 338.363 2.710 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001340569271 957935993 /nfs/dbraw/zinc/93/59/93/957935993.db2.gz IYIBDPICKLMFPS-OAHLLOKOSA-N -1 0 336.436 2.663 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588374175 957966491 /nfs/dbraw/zinc/96/64/91/957966491.db2.gz PYEORCDISJPTHV-CQSZACIVSA-N -1 0 329.743 2.929 20 30 EFEDRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594058902 958070785 /nfs/dbraw/zinc/07/07/85/958070785.db2.gz NSDLPESFLQXYSO-CYBMUJFWSA-N -1 0 331.155 2.945 20 30 EFEDRM Cc1cc(NC(=O)NCCC(C)(C)C(=O)[O-])c(C#N)cc1N(C)C ZINC001594318570 958100734 /nfs/dbraw/zinc/10/07/34/958100734.db2.gz GFYXSMGLTSMHJT-UHFFFAOYSA-N -1 0 332.404 2.555 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC001588408437 958109912 /nfs/dbraw/zinc/10/99/12/958109912.db2.gz NBGKOVGOWBHIOP-UHFFFAOYSA-N -1 0 346.402 2.757 20 30 EFEDRM COc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(F)cc1C#N ZINC001594063543 958119572 /nfs/dbraw/zinc/11/95/72/958119572.db2.gz JLJRXPLCHQDNIJ-LBPRGKRZSA-N -1 0 349.362 2.957 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC001588409828 958132492 /nfs/dbraw/zinc/13/24/92/958132492.db2.gz LDUQYTASQIDGTF-GFCCVEGCSA-N -1 0 343.408 2.601 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001588410237 958137481 /nfs/dbraw/zinc/13/74/81/958137481.db2.gz QUZZRJVTBUPVHV-HYVNUMGLSA-N -1 0 328.412 2.688 20 30 EFEDRM Cc1cc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C#N)cc1N(C)C ZINC001594323260 958139509 /nfs/dbraw/zinc/13/95/09/958139509.db2.gz RCRXRHWITRGYNS-AWEZNQCLSA-N -1 0 332.404 2.554 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC001588411001 958143845 /nfs/dbraw/zinc/14/38/45/958143845.db2.gz DNJCDLDDAXRUQC-UHFFFAOYSA-N -1 0 331.155 2.554 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001588413127 958156745 /nfs/dbraw/zinc/15/67/45/958156745.db2.gz RXALPAMOTLUEEU-UHFFFAOYSA-N -1 0 349.346 2.902 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001588413211 958157562 /nfs/dbraw/zinc/15/75/62/958157562.db2.gz VNQBCFKGVFHYGM-UHFFFAOYSA-N -1 0 343.314 2.565 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC001588416967 958167223 /nfs/dbraw/zinc/16/72/23/958167223.db2.gz ZBLXUGNXBOWBGJ-UHFFFAOYSA-N -1 0 348.402 2.931 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC001588418686 958183274 /nfs/dbraw/zinc/18/32/74/958183274.db2.gz CMINKJNVLFWMTO-UHFFFAOYSA-N -1 0 337.375 2.734 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC001588418739 958185455 /nfs/dbraw/zinc/18/54/55/958185455.db2.gz QFDNCZXXRJMWKS-UHFFFAOYSA-N -1 0 346.386 2.850 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001588418821 958186367 /nfs/dbraw/zinc/18/63/67/958186367.db2.gz GQHZRDAHGQUDLH-UHFFFAOYSA-N -1 0 344.754 2.687 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001588418871 958186828 /nfs/dbraw/zinc/18/68/28/958186828.db2.gz HSXGKIDXIZUQJZ-UHFFFAOYSA-N -1 0 344.754 2.687 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCCC(=O)[O-] ZINC001521216081 958222301 /nfs/dbraw/zinc/22/23/01/958222301.db2.gz CHQLXTRCZSIYLJ-UHFFFAOYSA-N -1 0 331.416 2.981 20 30 EFEDRM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603216033 972329766 /nfs/dbraw/zinc/32/97/66/972329766.db2.gz MXAYVEVNORHBIX-DMRZNYOFSA-N -1 0 328.412 2.935 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001594331681 958232921 /nfs/dbraw/zinc/23/29/21/958232921.db2.gz WHUSZLLJRPEKAM-HYXAFXHYSA-N -1 0 336.307 2.686 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001588433188 958292363 /nfs/dbraw/zinc/29/23/63/958292363.db2.gz MDMXOKHGOIYLEN-QOKNQOGYSA-N -1 0 328.412 2.520 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588433659 958298205 /nfs/dbraw/zinc/29/82/05/958298205.db2.gz RZKKLFLUBBZCHQ-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001588433534 958298256 /nfs/dbraw/zinc/29/82/56/958298256.db2.gz ONZNNYXTUXXUOB-MRXNPFEDSA-N -1 0 342.326 2.785 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588451225 958408028 /nfs/dbraw/zinc/40/80/28/958408028.db2.gz PYVVUWJECXFYJT-SSDOTTSWSA-N -1 0 329.150 2.775 20 30 EFEDRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001603227336 972345486 /nfs/dbraw/zinc/34/54/86/972345486.db2.gz LDODXFCJXPXWBZ-HIFRSBDPSA-N -1 0 329.400 2.906 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001588453426 958438193 /nfs/dbraw/zinc/43/81/93/958438193.db2.gz XECUJMKPFFABFC-INIZCTEOSA-N -1 0 331.412 2.562 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1ccccc1C ZINC001573317643 958453911 /nfs/dbraw/zinc/45/39/11/958453911.db2.gz LTUNJNGZVOIVDZ-ZDUSSCGKSA-N -1 0 342.317 2.718 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001573317668 958454042 /nfs/dbraw/zinc/45/40/42/958454042.db2.gz FHISEOGRFKVQON-LBPRGKRZSA-N -1 0 329.743 2.929 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 ZINC001573317687 958454740 /nfs/dbraw/zinc/45/47/40/958454740.db2.gz FRBCEKUZOFRPFY-UHFFFAOYSA-N -1 0 343.423 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccccc1SC(F)(F)F ZINC001573318447 958464019 /nfs/dbraw/zinc/46/40/19/958464019.db2.gz WRVUUAVVXHMEBN-UHFFFAOYSA-N -1 0 346.330 2.528 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573318526 958465607 /nfs/dbraw/zinc/46/56/07/958465607.db2.gz PTNNFQCCZQLGKO-CRAIPNDOSA-N -1 0 332.375 2.786 20 30 EFEDRM C=CCCCN(CC)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001588459740 958469089 /nfs/dbraw/zinc/46/90/89/958469089.db2.gz AZJAHZRBDZNHJI-MRXNPFEDSA-N -1 0 329.400 2.521 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588460155 958473119 /nfs/dbraw/zinc/47/31/19/958473119.db2.gz YCCAJPPHAQKEDG-DLBZAZTESA-N -1 0 347.411 2.793 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588464131 958488253 /nfs/dbraw/zinc/48/82/53/958488253.db2.gz FSYXFSJJARBRRL-UHFFFAOYSA-N -1 0 325.777 2.651 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001573328128 958495991 /nfs/dbraw/zinc/49/59/91/958495991.db2.gz BHPSROIRHUEKCT-ZFWWWQNUSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588466341 958509588 /nfs/dbraw/zinc/50/95/88/958509588.db2.gz KULPCHCADFQCAD-MRXNPFEDSA-N -1 0 331.412 2.897 20 30 EFEDRM C=CCOc1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001588466503 958513234 /nfs/dbraw/zinc/51/32/34/958513234.db2.gz VYAJVMRGVZGENE-CSKARUKUSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588469749 958518242 /nfs/dbraw/zinc/51/82/42/958518242.db2.gz SWNJKZBWLNDBQP-HUUCEWRRSA-N -1 0 338.363 2.689 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001573337546 958523414 /nfs/dbraw/zinc/52/34/14/958523414.db2.gz QZXMDLKIROVMRO-CHWSQXEVSA-N -1 0 343.408 2.784 20 30 EFEDRM C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470984 958534037 /nfs/dbraw/zinc/53/40/37/958534037.db2.gz YTCWMOFPZCLVPZ-AWEZNQCLSA-N -1 0 349.394 2.590 20 30 EFEDRM Cc1cccc(-c2nnc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o2)c1 ZINC001594386065 958669993 /nfs/dbraw/zinc/66/99/93/958669993.db2.gz PYRLEARIZGDKMF-APPDUMDISA-N -1 0 343.339 2.654 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132530058 958787056 /nfs/dbraw/zinc/78/70/56/958787056.db2.gz DPDGFIZEPPSNPN-UHFFFAOYSA-N -1 0 340.177 2.915 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC001588533968 958914568 /nfs/dbraw/zinc/91/45/68/958914568.db2.gz CKJVEOAXZSBIBE-KRWDZBQOSA-N -1 0 349.818 2.747 20 30 EFEDRM CC(=O)c1cccc(C#N)c1OCCOc1ccccc1C(=O)[O-] ZINC001588535154 958927282 /nfs/dbraw/zinc/92/72/82/958927282.db2.gz WXTDZUYHEDSVRQ-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2 ZINC001588538523 958942820 /nfs/dbraw/zinc/94/28/20/958942820.db2.gz JSQVAJAWRJNQEM-LJQANCHMSA-N -1 0 328.412 2.873 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC001588538895 958945824 /nfs/dbraw/zinc/94/58/24/958945824.db2.gz QACXVYIVPBQYJC-XPTSAGLGSA-N -1 0 326.805 2.900 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(C#N)cc1C(F)(F)F ZINC001588539882 958953573 /nfs/dbraw/zinc/95/35/73/958953573.db2.gz DHCKONMFIHHEAL-AWEZNQCLSA-N -1 0 340.257 2.625 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001588540045 958956585 /nfs/dbraw/zinc/95/65/85/958956585.db2.gz NLHDHZWBJLZXFY-OAHLLOKOSA-N -1 0 347.421 2.913 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001588541663 958965258 /nfs/dbraw/zinc/96/52/58/958965258.db2.gz JUUHRMJZIWDKAA-MRXNPFEDSA-N -1 0 349.293 2.779 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000149986773 959032353 /nfs/dbraw/zinc/03/23/53/959032353.db2.gz KVXUMNMCBRHCCX-GWCFXTLKSA-N -1 0 338.201 2.535 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)CC(=O)[O-] ZINC001573531298 959163050 /nfs/dbraw/zinc/16/30/50/959163050.db2.gz HLUWGNAGEOZACU-LBPRGKRZSA-N -1 0 337.445 2.898 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cc1C#N ZINC001594195217 959191238 /nfs/dbraw/zinc/19/12/38/959191238.db2.gz RLPDJIIYGWOEND-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)C1(c2ccc(C#N)cc2)CCCC1)C1CC1 ZINC001588581884 959265333 /nfs/dbraw/zinc/26/53/33/959265333.db2.gz DZGPLCMAEWDAIL-CYBMUJFWSA-N -1 0 326.396 2.834 20 30 EFEDRM C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2ccccc2s1 ZINC001573591794 959400728 /nfs/dbraw/zinc/40/07/28/959400728.db2.gz NVJWPUAPONWOJD-HWPZZCPQSA-N -1 0 331.397 2.521 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001573666897 959694364 /nfs/dbraw/zinc/69/43/64/959694364.db2.gz AIEVWPGZSGGMJD-CQSZACIVSA-N -1 0 342.273 2.896 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)cc1 ZINC001231457059 960605810 /nfs/dbraw/zinc/60/58/10/960605810.db2.gz CXTYXWWEBVZTKR-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001573775975 960677848 /nfs/dbraw/zinc/67/78/48/960677848.db2.gz FYMFBYBYCRPBEC-UHFFFAOYSA-N -1 0 344.411 2.819 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC001573818353 960924676 /nfs/dbraw/zinc/92/46/76/960924676.db2.gz AFAITOYVMBHDOM-ACJLOTCBSA-N -1 0 329.400 2.906 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001573822015 960966779 /nfs/dbraw/zinc/96/67/79/960966779.db2.gz ZLJIKQMXBSWPBI-SFHVURJKSA-N -1 0 329.400 2.539 20 30 EFEDRM C=C[C@H](CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C)c1ccccc1 ZINC001325110906 961051419 /nfs/dbraw/zinc/05/14/19/961051419.db2.gz ISPZIPIGDULNLP-OAHLLOKOSA-N -1 0 341.411 2.561 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cnns3)c2)c1 ZINC000238200618 961153729 /nfs/dbraw/zinc/15/37/29/961153729.db2.gz PIVBMTWSYYLBJN-UHFFFAOYSA-N -1 0 349.371 2.888 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588758323 961235965 /nfs/dbraw/zinc/23/59/65/961235965.db2.gz OTVKVXFZTMIQRE-LSDHHAIUSA-N -1 0 329.400 2.929 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001588804290 961461601 /nfs/dbraw/zinc/46/16/01/961461601.db2.gz UMBAYHLBLZDBGW-RYUDHWBXSA-N -1 0 344.289 2.623 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573920363 961530546 /nfs/dbraw/zinc/53/05/46/961530546.db2.gz NBHRTRANDSSXKU-AAEUAGOBSA-N -1 0 331.372 2.674 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001573920364 961530949 /nfs/dbraw/zinc/53/09/49/961530949.db2.gz NBHRTRANDSSXKU-DGCLKSJQSA-N -1 0 331.372 2.674 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)C(C)(C)CC(=O)[O-])cc1OC ZINC001332591061 961598161 /nfs/dbraw/zinc/59/81/61/961598161.db2.gz SANANTXRCYFLCA-CSKARUKUSA-N -1 0 347.411 2.985 20 30 EFEDRM CC(C)[C@@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001588822228 961635813 /nfs/dbraw/zinc/63/58/13/961635813.db2.gz FUQNCOGLOKXFAY-QGZVFWFLSA-N -1 0 343.427 2.804 20 30 EFEDRM CCc1ccc(Br)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001573954586 961664105 /nfs/dbraw/zinc/66/41/05/961664105.db2.gz PYGCYGKZMPGGBB-AWEZNQCLSA-N -1 0 339.189 2.955 20 30 EFEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCC(=O)[O-])n1 ZINC001574485677 961678410 /nfs/dbraw/zinc/67/84/10/961678410.db2.gz JYMUTVWPFXCGQC-UHFFFAOYSA-N -1 0 332.747 2.591 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574486095 961681709 /nfs/dbraw/zinc/68/17/09/961681709.db2.gz QIUFRHTUMRZPOS-JKSUJKDBSA-N -1 0 338.363 2.920 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)cc1 ZINC001574487794 961690592 /nfs/dbraw/zinc/69/05/92/961690592.db2.gz HZNFOQYFKAANKS-CZIWCDLHSA-N -1 0 335.363 2.895 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001574489595 961703997 /nfs/dbraw/zinc/70/39/97/961703997.db2.gz KYVGSOWAAVBBGG-HJWRWDBZSA-N -1 0 332.319 2.556 20 30 EFEDRM N#Cc1csc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001574492952 961716820 /nfs/dbraw/zinc/71/68/20/961716820.db2.gz GOUDJHUOCMCLLY-UONOGXRCSA-N -1 0 326.377 2.560 20 30 EFEDRM C#CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001335506234 961933585 /nfs/dbraw/zinc/93/35/85/961933585.db2.gz XRTBYDLOXSSCGJ-GVDBMIGSSA-N -1 0 326.396 2.503 20 30 EFEDRM CC(C)C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001588854648 961962179 /nfs/dbraw/zinc/96/21/79/961962179.db2.gz GWNMYHMSHHRBTC-CQSZACIVSA-N -1 0 341.367 2.690 20 30 EFEDRM Cc1c(C(=O)OCc2ccc(NC(=O)[O-])cc2)cnn1CCC#N ZINC001571180012 962145154 /nfs/dbraw/zinc/14/51/54/962145154.db2.gz UVISUVBONQTFAZ-UHFFFAOYSA-N -1 0 328.328 2.552 20 30 EFEDRM COc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(F)cc1C#N ZINC001574607491 962174066 /nfs/dbraw/zinc/17/40/66/962174066.db2.gz UKUDZZJPNNKABT-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001571186942 962219287 /nfs/dbraw/zinc/21/92/87/962219287.db2.gz YXJFDUYSMBTGCR-JTQLQIEISA-N -1 0 329.381 2.878 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588910876 962294600 /nfs/dbraw/zinc/29/46/00/962294600.db2.gz IPYMFLBRXRBCPS-ZDUSSCGKSA-N -1 0 333.436 2.642 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588910948 962297000 /nfs/dbraw/zinc/29/70/00/962297000.db2.gz LSZLPMOPDVWFIJ-KBPBESRZSA-N -1 0 333.436 2.642 20 30 EFEDRM N#Cc1c(N)sc2c1CCN(Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001571198449 962337042 /nfs/dbraw/zinc/33/70/42/962337042.db2.gz JEWDGYWHBUCLOT-UHFFFAOYSA-N -1 0 331.372 2.598 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588920606 962370565 /nfs/dbraw/zinc/37/05/65/962370565.db2.gz NXVVCOXWYHVCFC-DLBZAZTESA-N -1 0 344.411 2.565 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588920609 962370587 /nfs/dbraw/zinc/37/05/87/962370587.db2.gz NXVVCOXWYHVCFC-SJORKVTESA-N -1 0 344.411 2.565 20 30 EFEDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001574103803 962412568 /nfs/dbraw/zinc/41/25/68/962412568.db2.gz BFIZSFVKBRJHHG-HNNXBMFYSA-N -1 0 342.376 2.748 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588935888 962502639 /nfs/dbraw/zinc/50/26/39/962502639.db2.gz FHDDZMSPHVNDDV-KGLIPLIRSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C2(CC(=O)[O-])CCOCC2)cc1C#N ZINC001588938200 962515596 /nfs/dbraw/zinc/51/55/96/962515596.db2.gz UAURAZKVFOAULR-UHFFFAOYSA-N -1 0 346.383 2.555 20 30 EFEDRM CC(C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001588956012 962594869 /nfs/dbraw/zinc/59/48/69/962594869.db2.gz GAQZJCXHLXGMHQ-NSHDSACASA-N -1 0 345.277 2.688 20 30 EFEDRM C#CC[C@H](NC(=O)CSCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573301506 962628196 /nfs/dbraw/zinc/62/81/96/962628196.db2.gz AEPHDLJCXYFQRR-HNNXBMFYSA-N -1 0 333.453 2.810 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001573302265 962648496 /nfs/dbraw/zinc/64/84/96/962648496.db2.gz TYQMJAHCBLYWIQ-QUWSVYMGSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573302576 962657334 /nfs/dbraw/zinc/65/73/34/962657334.db2.gz XZMZKZSSNCMVNQ-AWEZNQCLSA-N -1 0 345.447 2.538 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001573303075 962669634 /nfs/dbraw/zinc/66/96/34/962669634.db2.gz UTZYGSKXCQZPOG-CABZTGNLSA-N -1 0 347.371 2.715 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001573311687 962709871 /nfs/dbraw/zinc/70/98/71/962709871.db2.gz WOHAYSNCYYMNQS-UHFFFAOYSA-N -1 0 343.423 2.580 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001573311874 962715496 /nfs/dbraw/zinc/71/54/96/962715496.db2.gz ZRYJTKZNBIDKEH-SGTLLEGYSA-N -1 0 346.358 2.556 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001573312243 962719682 /nfs/dbraw/zinc/71/96/82/962719682.db2.gz PFKDXDHNKMWKDT-RBUKOAKNSA-N -1 0 348.402 2.678 20 30 EFEDRM C#Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001573313094 962726413 /nfs/dbraw/zinc/72/64/13/962726413.db2.gz BGQAWWDJMTXKAR-UHFFFAOYSA-N -1 0 332.359 2.637 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1 ZINC001573313387 962730750 /nfs/dbraw/zinc/73/07/50/962730750.db2.gz GTSPHIVLXGHIJT-UHFFFAOYSA-N -1 0 326.377 2.882 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC001573319942 962748646 /nfs/dbraw/zinc/74/86/46/962748646.db2.gz BURIREDWJDYGFA-LLVKDONJSA-N -1 0 347.745 2.976 20 30 EFEDRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001588982963 962750099 /nfs/dbraw/zinc/75/00/99/962750099.db2.gz IJLXJYLDIGDVMS-INIZCTEOSA-N -1 0 330.344 2.667 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573321294 962757095 /nfs/dbraw/zinc/75/70/95/962757095.db2.gz KZSMTMQDFBMXLS-HIFRSBDPSA-N -1 0 333.388 2.557 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001573323388 962770626 /nfs/dbraw/zinc/77/06/26/962770626.db2.gz AUWQFKGIIASVQF-LLVKDONJSA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001573323389 962771092 /nfs/dbraw/zinc/77/10/92/962771092.db2.gz AUWQFKGIIASVQF-NSHDSACASA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)C(=O)[O-] ZINC001573323976 962778825 /nfs/dbraw/zinc/77/88/25/962778825.db2.gz KLQMUSDPPPHYOO-JTQLQIEISA-N -1 0 342.182 2.790 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001517450348 962806460 /nfs/dbraw/zinc/80/64/60/962806460.db2.gz YKVYEWLZMQDZJV-ZUOKHONESA-N -1 0 334.375 2.670 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC001573332082 962824387 /nfs/dbraw/zinc/82/43/87/962824387.db2.gz IHWQADUHMYQGEU-AWEZNQCLSA-N -1 0 331.368 2.542 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC001573332993 962848363 /nfs/dbraw/zinc/84/83/63/962848363.db2.gz VEIFOXFYAZMILY-GFCCVEGCSA-N -1 0 332.375 2.786 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 ZINC001573333112 962851794 /nfs/dbraw/zinc/85/17/94/962851794.db2.gz VLLFMOXJHRCJBD-UHFFFAOYSA-N -1 0 325.405 2.568 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001573333307 962855433 /nfs/dbraw/zinc/85/54/33/962855433.db2.gz YKDDZLHZIOCBDG-LLVKDONJSA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC001573333309 962856040 /nfs/dbraw/zinc/85/60/40/962856040.db2.gz YKDDZLHZIOCBDG-NSHDSACASA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 ZINC001573336410 962858657 /nfs/dbraw/zinc/85/86/57/962858657.db2.gz BWGHCMLHVIITSX-UHFFFAOYSA-N -1 0 346.383 2.572 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC001573336883 962862047 /nfs/dbraw/zinc/86/20/47/962862047.db2.gz HVIUXLQQFLWIAQ-UHFFFAOYSA-N -1 0 336.351 2.984 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526766662 962909012 /nfs/dbraw/zinc/90/90/12/962909012.db2.gz RXDSRMLQWQSSAN-HIFRSBDPSA-N -1 0 334.416 2.758 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001526766663 962909102 /nfs/dbraw/zinc/90/91/02/962909102.db2.gz RXDSRMLQWQSSAN-UKRRQHHQSA-N -1 0 334.416 2.758 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001573357009 963011669 /nfs/dbraw/zinc/01/16/69/963011669.db2.gz IRPQXOUNXKUXDU-RZXPCSSPSA-N -1 0 335.425 2.904 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001573357172 963013519 /nfs/dbraw/zinc/01/35/19/963013519.db2.gz JYXMKBHYGFGUIR-MRVPVSSYSA-N -1 0 336.335 2.630 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573357653 963018868 /nfs/dbraw/zinc/01/88/68/963018868.db2.gz QGQDZZSBOLYPHS-HZMBPMFUSA-N -1 0 327.327 2.658 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C1=Cc2cccc(OCC)c2OC1)C(=O)[O-] ZINC001573357753 963019858 /nfs/dbraw/zinc/01/98/58/963019858.db2.gz RUXSQPTYRYWODX-OAHLLOKOSA-N -1 0 345.395 2.787 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](C)CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573357807 963021711 /nfs/dbraw/zinc/02/17/11/963021711.db2.gz SVUQTVKPBGSCHZ-DOMZBBRYSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](C)CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573357808 963021939 /nfs/dbraw/zinc/02/19/39/963021939.db2.gz SVUQTVKPBGSCHZ-IUODEOHRSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573360040 963030328 /nfs/dbraw/zinc/03/03/28/963030328.db2.gz DRWIECIADXRGFF-GFCCVEGCSA-N -1 0 344.367 2.618 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC001573366927 963063299 /nfs/dbraw/zinc/06/32/99/963063299.db2.gz PYGJZNGLNJPQQQ-CYBMUJFWSA-N -1 0 343.339 2.682 20 30 EFEDRM C=CCONC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001573369697 963099981 /nfs/dbraw/zinc/09/99/81/963099981.db2.gz XLTPSOYZMZRXRB-UHFFFAOYSA-N -1 0 333.113 2.526 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573378520 963104808 /nfs/dbraw/zinc/10/48/08/963104808.db2.gz GKQBHIGUYLTKKJ-INIZCTEOSA-N -1 0 340.427 2.995 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001573379399 963106677 /nfs/dbraw/zinc/10/66/77/963106677.db2.gz GOAABRDGPQJTCE-HRCADAONSA-N -1 0 346.427 2.729 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573379795 963111149 /nfs/dbraw/zinc/11/11/49/963111149.db2.gz XBQXRGWRFHAFDZ-AGIUHOORSA-N -1 0 343.301 2.538 20 30 EFEDRM C#CCCNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311929071 963523096 /nfs/dbraw/zinc/52/30/96/963523096.db2.gz FWXGGSKAYNTCOF-UHFFFAOYSA-N -1 0 325.162 2.601 20 30 EFEDRM C#CCCCC(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588440165 964035373 /nfs/dbraw/zinc/03/53/73/964035373.db2.gz NARFAFDBSORDQH-UHFFFAOYSA-N -1 0 349.408 2.610 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)OCC ZINC001588441980 964054969 /nfs/dbraw/zinc/05/49/69/964054969.db2.gz NAMLDYNVNNRUMM-NSHDSACASA-N -1 0 339.413 2.829 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC001588445873 964066825 /nfs/dbraw/zinc/06/68/25/964066825.db2.gz UQKMOBAPGQIXEN-SSDOTTSWSA-N -1 0 348.877 2.676 20 30 EFEDRM C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588447075 964082782 /nfs/dbraw/zinc/08/27/82/964082782.db2.gz DLMSFDYWQVFNMY-MRXNPFEDSA-N -1 0 338.411 2.660 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000853094989 969305885 /nfs/dbraw/zinc/30/58/85/969305885.db2.gz QXCIQCSKNLZMIC-AAEUAGOBSA-N -1 0 331.372 2.600 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)cc2n1 ZINC000899316598 969420103 /nfs/dbraw/zinc/42/01/03/969420103.db2.gz GQOOBUUCYPYFNS-TZMCWYRMSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901755636 969471332 /nfs/dbraw/zinc/47/13/32/969471332.db2.gz UUKWKIYFSLSPHF-LSDHHAIUSA-N -1 0 335.375 2.610 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001341452834 969754684 /nfs/dbraw/zinc/75/46/84/969754684.db2.gz XSVODNYLXXDOSL-DJIMGWMZSA-N -1 0 330.428 2.926 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001574797126 969875023 /nfs/dbraw/zinc/87/50/23/969875023.db2.gz ASQABXWDIYQVCJ-UHFFFAOYSA-N -1 0 330.290 2.665 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC001609623978 970424731 /nfs/dbraw/zinc/42/47/31/970424731.db2.gz REPYVSOMSVAIKT-INIZCTEOSA-N -1 0 326.327 2.949 20 30 EFEDRM C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001609636907 970430946 /nfs/dbraw/zinc/43/09/46/970430946.db2.gz TUENYLSNYNQKGJ-LBPRGKRZSA-N -1 0 332.791 2.695 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000393757580 972636841 /nfs/dbraw/zinc/63/68/41/972636841.db2.gz IAZDEUDUTYGWSK-SECBINFHSA-N -1 0 335.784 2.810 20 30 EFEDRM O=C([O-])C1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC=CC1 ZINC001605923188 972819878 /nfs/dbraw/zinc/81/98/78/972819878.db2.gz WNWYRDDLNCFFRW-UHFFFAOYSA-N -1 0 337.297 2.594 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@H](C)C(=O)[O-] ZINC001605219549 972967367 /nfs/dbraw/zinc/96/73/67/972967367.db2.gz DOBQUXDZWORJJL-LLVKDONJSA-N -1 0 340.339 2.649 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])c1 ZINC001605327698 973171309 /nfs/dbraw/zinc/17/13/09/973171309.db2.gz FYXDDFLSOMTRIV-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM C[C@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC001603440351 973224183 /nfs/dbraw/zinc/22/41/83/973224183.db2.gz WWLIIJLCYZUXPF-FZMZJTMJSA-N -1 0 339.313 2.626 20 30 EFEDRM Cc1ccccc1NC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC1 ZINC001605356242 973269000 /nfs/dbraw/zinc/26/90/00/973269000.db2.gz GEVJKFMDXFCMOS-GOSISDBHSA-N -1 0 343.427 2.841 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001603496596 973450751 /nfs/dbraw/zinc/45/07/51/973450751.db2.gz NYJHBEWKGVIHQR-HNNXBMFYSA-N -1 0 339.351 2.681 20 30 EFEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCCC(=O)[O-])c1C ZINC001605428577 973463496 /nfs/dbraw/zinc/46/34/96/973463496.db2.gz BVRFYOSODAUOJX-UHFFFAOYSA-N -1 0 340.383 2.944 20 30 EFEDRM CCC(CC)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001603540183 973594735 /nfs/dbraw/zinc/59/47/35/973594735.db2.gz WKXKBQHOHAVBRU-UHFFFAOYSA-N -1 0 341.367 2.834 20 30 EFEDRM CC[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC001603555130 973633166 /nfs/dbraw/zinc/63/31/66/973633166.db2.gz AUFDHSDVXYYYDC-KBMXLJTQSA-N -1 0 329.400 2.579 20 30 EFEDRM CON(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)C(=O)[O-] ZINC001604660892 973825668 /nfs/dbraw/zinc/82/56/68/973825668.db2.gz JQCMBPWRZCEQSE-LBPRGKRZSA-N -1 0 340.335 2.827 20 30 EFEDRM CON(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)C(=O)[O-] ZINC001604660891 973825903 /nfs/dbraw/zinc/82/59/03/973825903.db2.gz JQCMBPWRZCEQSE-GFCCVEGCSA-N -1 0 340.335 2.827 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001605576714 973851359 /nfs/dbraw/zinc/85/13/59/973851359.db2.gz SHXVQQIDHLIRAD-IAGOWNOFSA-N -1 0 328.412 2.862 20 30 EFEDRM N#CC[C@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1 ZINC001605582241 973864070 /nfs/dbraw/zinc/86/40/70/973864070.db2.gz WKRDDEJRRQRCPV-MRXNPFEDSA-N -1 0 344.411 2.556 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2cc(C(=O)[O-])ccc2F)CCCCC1 ZINC001605582666 973867161 /nfs/dbraw/zinc/86/71/61/973867161.db2.gz BYOHBXDYPOTOJA-UHFFFAOYSA-N -1 0 341.360 2.707 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605586018 973878761 /nfs/dbraw/zinc/87/87/61/973878761.db2.gz NYCHEEXHPYCHOK-DUXPYHPUSA-N -1 0 330.271 2.671 20 30 EFEDRM N#Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cs1 ZINC001605591829 973889219 /nfs/dbraw/zinc/88/92/19/973889219.db2.gz BYOGBOLUJCJYFG-UHFFFAOYSA-N -1 0 334.378 2.704 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)cc1F ZINC001605592072 973893300 /nfs/dbraw/zinc/89/33/00/973893300.db2.gz RZVZUTJXHSESOR-AWEZNQCLSA-N -1 0 349.268 2.923 20 30 EFEDRM N#Cc1ccc(-c2nnc(COc3ccccc3CC(=O)[O-])o2)cc1 ZINC001605597625 973900733 /nfs/dbraw/zinc/90/07/33/973900733.db2.gz XQYDFGUEMAJHHD-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#CCc1ccsc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001605601258 973901650 /nfs/dbraw/zinc/90/16/50/973901650.db2.gz GAGJJCARUKEOBY-UHFFFAOYSA-N -1 0 348.405 2.899 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)NCCCCC(=O)[O-])C(F)(F)F)c1 ZINC001605617494 973933706 /nfs/dbraw/zinc/93/37/06/973933706.db2.gz HYOWQJZVPBEDPE-ZDUSSCGKSA-N -1 0 343.305 2.716 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ncccc2C(=O)[O-])c1Br ZINC001605617582 973935113 /nfs/dbraw/zinc/93/51/13/973935113.db2.gz NSMXTMFCWIHVEI-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc(N(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C2CCC2)c1 ZINC001605617825 973937431 /nfs/dbraw/zinc/93/74/31/973937431.db2.gz XRYOVTDTNSZPPO-RHSMWYFYSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1cccc(N(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C2CCC2)c1 ZINC001605617826 973937482 /nfs/dbraw/zinc/93/74/82/973937482.db2.gz XRYOVTDTNSZPPO-WMLDXEAASA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605620009 973941295 /nfs/dbraw/zinc/94/12/95/973941295.db2.gz RGIZXEHSENIIJV-HNNXBMFYSA-N -1 0 329.287 2.521 20 30 EFEDRM N#Cc1cnc(N2CCC(CCC(=O)[O-])CC2)c(Br)c1 ZINC001605622843 973944866 /nfs/dbraw/zinc/94/48/66/973944866.db2.gz DRTVZTCFVHNERM-UHFFFAOYSA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1cnc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(Cl)c1 ZINC001605623055 973947240 /nfs/dbraw/zinc/94/72/40/973947240.db2.gz SCZLHHRXSQJVPE-UHFFFAOYSA-N -1 0 341.754 2.898 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605626823 973959333 /nfs/dbraw/zinc/95/93/33/973959333.db2.gz PFIFDBZJUHBWCU-JKSUJKDBSA-N -1 0 344.374 2.806 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001603856961 974356336 /nfs/dbraw/zinc/35/63/36/974356336.db2.gz IRUUEYCCPDXWEA-UHFFFAOYSA-N -1 0 346.726 2.923 20 30 EFEDRM CCc1c(C)sc(NC(=O)C2(CC(=O)[O-])CCOCC2)c1C#N ZINC001603966733 974441390 /nfs/dbraw/zinc/44/13/90/974441390.db2.gz OJCRFUPXIXJHJT-UHFFFAOYSA-N -1 0 336.413 2.701 20 30 EFEDRM CCc1ccc(C2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC001603969054 974454232 /nfs/dbraw/zinc/45/42/32/974454232.db2.gz WLIQEKUSAINHLA-LJQANCHMSA-N -1 0 328.412 2.960 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001603969310 974456592 /nfs/dbraw/zinc/45/65/92/974456592.db2.gz GVJASARABWLLDL-SFHVURJKSA-N -1 0 325.339 2.682 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2\COc3c(F)cccc3C2=O)cc1 ZINC000606443601 975016024 /nfs/dbraw/zinc/01/60/24/975016024.db2.gz KTJDFRLTLVACHE-XYOKQWHBSA-N -1 0 328.295 2.948 20 30 EFEDRM CC(C)Oc1cc(F)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591755160 975815650 /nfs/dbraw/zinc/81/56/50/975815650.db2.gz CMBQJNJSHYTEDJ-UHFFFAOYSA-N -1 0 349.362 2.835 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001591758386 975834785 /nfs/dbraw/zinc/83/47/85/975834785.db2.gz AQCWZTJOUDVLGW-STQMWFEESA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1C#N ZINC001591781021 975949650 /nfs/dbraw/zinc/94/96/50/975949650.db2.gz QNSGOSNBUOPUQO-DZGCQCFKSA-N -1 0 346.383 2.554 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(F)c1 ZINC001591786682 975958952 /nfs/dbraw/zinc/95/89/52/975958952.db2.gz MVXBLUUXNYVOJJ-UHFFFAOYSA-N -1 0 349.362 2.835 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)n2C)c(C(=O)[O-])c1 ZINC001591787806 975963944 /nfs/dbraw/zinc/96/39/44/975963944.db2.gz CFTQIKYYAYGLEO-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM N#Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1Br ZINC000689860035 976265473 /nfs/dbraw/zinc/26/54/73/976265473.db2.gz QSHUMTUBANMSLR-UHFFFAOYSA-N -1 0 325.162 2.904 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)c(C#N)c1 ZINC000689862749 976265528 /nfs/dbraw/zinc/26/55/28/976265528.db2.gz ZBPLJAUTKJWATB-QMMMGPOBSA-N -1 0 325.162 2.760 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)c(C#N)c1 ZINC000689862747 976265947 /nfs/dbraw/zinc/26/59/47/976265947.db2.gz ZBPLJAUTKJWATB-MRVPVSSYSA-N -1 0 325.162 2.760 20 30 EFEDRM CC(C)c1ccc(OCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591974432 976588388 /nfs/dbraw/zinc/58/83/88/976588388.db2.gz WXIFNMGEYDERNR-UHFFFAOYSA-N -1 0 344.411 2.796 20 30 EFEDRM C[C@H](CC#Cc1cccnc1)OC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592212363 977267817 /nfs/dbraw/zinc/26/78/17/977267817.db2.gz QQNWODAHPYYDLI-FTXHTYHOSA-N -1 0 327.380 2.790 20 30 EFEDRM C[C@H](CC#N)C(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001592222069 977405385 /nfs/dbraw/zinc/40/53/85/977405385.db2.gz QXJNLQMLQIOTEL-MRVPVSSYSA-N -1 0 326.146 2.740 20 30 EFEDRM C[C@@H](CC#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1Br ZINC001592222296 977405784 /nfs/dbraw/zinc/40/57/84/977405784.db2.gz UKVGGFXPWWAKBI-KWQFWETISA-N -1 0 326.146 2.668 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cc(C#N)ccc1F)c1ccncc1 ZINC001592289089 977603751 /nfs/dbraw/zinc/60/37/51/977603751.db2.gz CZYNSQSINRBLMQ-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1cccnc1 ZINC001592296675 977629140 /nfs/dbraw/zinc/62/91/40/977629140.db2.gz FXMXBKLXNPMLGW-SFHVURJKSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccnc1 ZINC001592298162 977645070 /nfs/dbraw/zinc/64/50/70/977645070.db2.gz WETIAUBGKUDNCP-QKLQHJQFSA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1ccncc1 ZINC001592298499 977648779 /nfs/dbraw/zinc/64/87/79/977648779.db2.gz UTSMTAMWWPPTQR-SFHVURJKSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC001592303372 977656146 /nfs/dbraw/zinc/65/61/46/977656146.db2.gz BRLDCSVZVKAYTQ-IBGZPJMESA-N -1 0 349.390 2.757 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001592391941 977940206 /nfs/dbraw/zinc/94/02/06/977940206.db2.gz TTXGHPZHZBPQOQ-ZETCQYMHSA-N -1 0 325.708 2.559 20 30 EFEDRM C[C@@H](CCC#N)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001592470475 978222323 /nfs/dbraw/zinc/22/23/23/978222323.db2.gz JCTDGZQASTXQBW-XJKSGUPXSA-N -1 0 335.835 2.776 20 30 EFEDRM C[C@@H](CCC#N)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001592470470 978222536 /nfs/dbraw/zinc/22/25/36/978222536.db2.gz JCTDGZQASTXQBW-BBRMVZONSA-N -1 0 335.835 2.776 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)c1cc(C#N)nc(C2CC2)n1)C(=O)[O-] ZINC001592609758 978557886 /nfs/dbraw/zinc/55/78/86/978557886.db2.gz MGDSLNPYTCOIIF-ZDUSSCGKSA-N -1 0 336.395 2.953 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739134247 978619241 /nfs/dbraw/zinc/61/92/41/978619241.db2.gz ZCPZHVGCQNCKMY-UHFFFAOYSA-N -1 0 328.303 2.838 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(F)cc(C#N)cc1F ZINC000782255716 978792809 /nfs/dbraw/zinc/79/28/09/978792809.db2.gz WXLVBBUQIHJUEL-UHFFFAOYSA-N -1 0 331.278 2.989 20 30 EFEDRM O=C([O-])c1ccccc1CN=Nc1nnc(-c2ccccn2)s1 ZINC000788029768 978796226 /nfs/dbraw/zinc/79/62/26/978796226.db2.gz HKRGHRNDRFWKPV-UHFFFAOYSA-N -1 0 325.353 2.744 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793351225 978802819 /nfs/dbraw/zinc/80/28/19/978802819.db2.gz AAEODTYMPZYOBU-UHFFFAOYSA-N -1 0 333.340 2.614 20 30 EFEDRM COCCOCc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000807957972 978851119 /nfs/dbraw/zinc/85/11/19/978851119.db2.gz FFGPWJRBAAZPSE-UHFFFAOYSA-N -1 0 328.368 2.994 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1O ZINC000811696163 978854840 /nfs/dbraw/zinc/85/48/40/978854840.db2.gz AWNRQFYMVWMDAK-XBXARRHUSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814721451 978877028 /nfs/dbraw/zinc/87/70/28/978877028.db2.gz FEGMKOJWVSDBQJ-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814831991 978889973 /nfs/dbraw/zinc/88/99/73/978889973.db2.gz ZRZHBHMHKAWPMI-DGCLKSJQSA-N -1 0 329.425 2.831 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1cc(C(=O)[O-])cs1 ZINC000814868909 978894658 /nfs/dbraw/zinc/89/46/58/978894658.db2.gz MXNCFSDFHYONTR-UHFFFAOYSA-N -1 0 328.353 2.931 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000820352680 978925642 /nfs/dbraw/zinc/92/56/42/978925642.db2.gz BBWSGAZESKDEQA-XQQFMLRXSA-N -1 0 326.179 2.690 20 30 EFEDRM CCCCCCCS(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000830081682 979012673 /nfs/dbraw/zinc/01/26/73/979012673.db2.gz UXADIQSGPZHADD-AWEZNQCLSA-N -1 0 325.430 2.975 20 30 EFEDRM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001592688798 979132358 /nfs/dbraw/zinc/13/23/58/979132358.db2.gz NXTGBDDVDTUXDJ-GFCCVEGCSA-N -1 0 347.415 2.601 20 30 EFEDRM C[C@@](CNc1ccc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592730826 979251455 /nfs/dbraw/zinc/25/14/55/979251455.db2.gz XWZSSAADSREYEM-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000836750815 979254829 /nfs/dbraw/zinc/25/48/29/979254829.db2.gz BSYPXSXZTPYYGX-KXKDPZRNSA-N -1 0 331.412 2.769 20 30 EFEDRM CCC(CC)(CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001595064722 979328468 /nfs/dbraw/zinc/32/84/68/979328468.db2.gz KYUFKUSQRDWKMX-MRXNPFEDSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](CC)C(=O)[O-])cc1OC ZINC000844157808 979347940 /nfs/dbraw/zinc/34/79/40/979347940.db2.gz GNFGZDPBWXCMDB-KGXGESDWSA-N -1 0 333.384 2.500 20 30 EFEDRM C[C@@H](CO)N(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001592761789 979353313 /nfs/dbraw/zinc/35/33/13/979353313.db2.gz JSWYAJFKPXLCTE-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000848414741 979467075 /nfs/dbraw/zinc/46/70/75/979467075.db2.gz RHHUCQDJLUMHHE-UHFFFAOYSA-N -1 0 333.388 2.769 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000851616946 979539636 /nfs/dbraw/zinc/53/96/36/979539636.db2.gz YHBLBIYTYOHRBG-HNNXBMFYSA-N -1 0 329.396 2.642 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001592833307 979569678 /nfs/dbraw/zinc/56/96/78/979569678.db2.gz FELGZBLNBURUNM-IFXJQAMLSA-N -1 0 348.402 2.775 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001592833843 979572330 /nfs/dbraw/zinc/57/23/30/979572330.db2.gz KMMQLSHOHLQNJU-AWEZNQCLSA-N -1 0 328.412 2.888 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001592834408 979576635 /nfs/dbraw/zinc/57/66/35/979576635.db2.gz PXFOTMGNAHQFDH-XHDPSFHLSA-N -1 0 328.393 2.740 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001592834575 979577826 /nfs/dbraw/zinc/57/78/26/979577826.db2.gz RUTYZNFGSTWYCO-AWEZNQCLSA-N -1 0 336.391 2.794 20 30 EFEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1coc(C#N)c1)C(=O)[O-] ZINC001592839135 979594984 /nfs/dbraw/zinc/59/49/84/979594984.db2.gz DPLYOKGEBCHJNL-INIZCTEOSA-N -1 0 332.743 2.620 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1sccc1C#N)C(=O)[O-] ZINC001592847765 979626946 /nfs/dbraw/zinc/62/69/46/979626946.db2.gz JALBYNGWHXJPHC-INIZCTEOSA-N -1 0 332.356 2.575 20 30 EFEDRM CC[C@](CNC(=O)N1CCC[C@@](C)(C#N)C1)(C(=O)[O-])c1ccccc1 ZINC001595148254 979631512 /nfs/dbraw/zinc/63/15/12/979631512.db2.gz YOCJNGPDKJLZOR-RBUKOAKNSA-N -1 0 343.427 2.754 20 30 EFEDRM CCOC(=O)c1[nH]c(C)c(C=NNc2ccc(CC(=O)[O-])cc2)c1C ZINC000863125906 979658680 /nfs/dbraw/zinc/65/86/80/979658680.db2.gz AEPQXXIQTNCWFY-UHFFFAOYSA-N -1 0 343.383 2.881 20 30 EFEDRM CC[C@@](CNC(=O)c1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595158692 979669740 /nfs/dbraw/zinc/66/97/40/979669740.db2.gz BMZYQOQMUHSMQC-IBGZPJMESA-N -1 0 340.354 2.860 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000864145441 979750511 /nfs/dbraw/zinc/75/05/11/979750511.db2.gz IKZBZZHORDXJQH-QFBILLFUSA-N -1 0 333.428 2.663 20 30 EFEDRM C=CCOC[C@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864145468 979750555 /nfs/dbraw/zinc/75/05/55/979750555.db2.gz JDNHVVBKRYUBRB-LBPRGKRZSA-N -1 0 339.438 2.586 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000864145442 979750617 /nfs/dbraw/zinc/75/06/17/979750617.db2.gz IKZBZZHORDXJQH-VQIMIIECSA-N -1 0 333.428 2.663 20 30 EFEDRM C[C@H](Cc1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884060 979765596 /nfs/dbraw/zinc/76/55/96/979765596.db2.gz ZUAIDTKSAVIICK-SNVBAGLBSA-N -1 0 326.312 2.868 20 30 EFEDRM CC[C@@H](COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001595180294 979789858 /nfs/dbraw/zinc/78/98/58/979789858.db2.gz LVKZWCHOGQIQHG-ZDUSSCGKSA-N -1 0 348.374 2.568 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000864195678 979858181 /nfs/dbraw/zinc/85/81/81/979858181.db2.gz DHLBLPOEPOLMNE-LJQANCHMSA-N -1 0 347.411 2.562 20 30 EFEDRM C=C(Br)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166867 980063462 /nfs/dbraw/zinc/06/34/62/980063462.db2.gz VAMYFVMYVQLKBO-UHFFFAOYSA-N -1 0 326.190 2.660 20 30 EFEDRM C[C@H](Oc1ccc(C=NNC[C@H]2CCCC2(F)F)cc1)C(=O)[O-] ZINC000872406987 980074711 /nfs/dbraw/zinc/07/47/11/980074711.db2.gz NUGDPFHJCVTOKN-WCQYABFASA-N -1 0 326.343 2.897 20 30 EFEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595246465 980183841 /nfs/dbraw/zinc/18/38/41/980183841.db2.gz ADVIBQPWFIHRKV-HNNXBMFYSA-N -1 0 329.400 2.846 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NCCCCCC(=O)[O-])cc21 ZINC000899317458 980227786 /nfs/dbraw/zinc/22/77/86/980227786.db2.gz LVTPQEMEZKFPLV-UHFFFAOYSA-N -1 0 330.388 2.989 20 30 EFEDRM C[C@H](NC(=O)CC#Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593011268 980245983 /nfs/dbraw/zinc/24/59/83/980245983.db2.gz OSSSBXWNFRGYSR-LPHOPBHVSA-N -1 0 335.403 2.876 20 30 EFEDRM C[C@@H]1CC(NN=Cc2cn(CC(=O)[O-])c3ccccc23)C[C@@H](C)O1 ZINC000901302159 980260384 /nfs/dbraw/zinc/26/03/84/980260384.db2.gz JGTXPQBVRWZHDL-CHWSQXEVSA-N -1 0 329.400 2.605 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)cn1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595266543 980280925 /nfs/dbraw/zinc/28/09/25/980280925.db2.gz YPVBLNDASVORHC-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000901500582 980319903 /nfs/dbraw/zinc/31/99/03/980319903.db2.gz CHUMQKCAWQLFJC-SZMVWBNQSA-N -1 0 340.423 2.962 20 30 EFEDRM CN(C)c1ncc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)cn1 ZINC000901526170 980351446 /nfs/dbraw/zinc/35/14/46/980351446.db2.gz PPUDSURASWKDRO-ZSOIEALJSA-N -1 0 337.379 2.843 20 30 EFEDRM CC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H](C)C(=O)[O-] ZINC001595343341 980624017 /nfs/dbraw/zinc/62/40/17/980624017.db2.gz ATMUQKFOTLVIEY-GXFFZTMASA-N -1 0 330.340 2.907 20 30 EFEDRM CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595355692 980704502 /nfs/dbraw/zinc/70/45/02/980704502.db2.gz JOXOBBXJEIJYCZ-HZPDHXFCSA-N -1 0 331.368 2.965 20 30 EFEDRM CC[C@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001595413185 981013243 /nfs/dbraw/zinc/01/32/43/981013243.db2.gz JIEDHVGKTUFWTF-JSGCOSHPSA-N -1 0 331.368 2.895 20 30 EFEDRM CC[C@@H]1C[C@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001595414125 981020025 /nfs/dbraw/zinc/02/00/25/981020025.db2.gz YWANBADVUJWSQI-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905115995 981089375 /nfs/dbraw/zinc/08/93/75/981089375.db2.gz WHXINRLGHKVSOY-VYDXJSESSA-N -1 0 326.396 2.943 20 30 EFEDRM CSc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000905125529 981089641 /nfs/dbraw/zinc/08/96/41/981089641.db2.gz JWGKHPGZVIEFDD-OLZOCXBDSA-N -1 0 332.425 2.787 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595533568 981376823 /nfs/dbraw/zinc/37/68/23/981376823.db2.gz ZZXFPXPBPPFSGJ-UHFFFAOYSA-N -1 0 338.429 2.667 20 30 EFEDRM CCC[C@](C)(NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001595546587 981412560 /nfs/dbraw/zinc/41/25/60/981412560.db2.gz BRFXLBCUIVZNQC-SFHVURJKSA-N -1 0 332.400 2.867 20 30 EFEDRM CCC[C@H]1C[C@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001595620482 981690003 /nfs/dbraw/zinc/69/00/03/981690003.db2.gz JRPKWZJXDNKHHB-SJORKVTESA-N -1 0 330.380 2.875 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC001594782440 981790466 /nfs/dbraw/zinc/79/04/66/981790466.db2.gz PNLFXJMQXAEEOW-ORAYPTAESA-N -1 0 344.411 2.817 20 30 EFEDRM CCCC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001595636374 981916661 /nfs/dbraw/zinc/91/66/61/981916661.db2.gz PCAKGINIYKJCMN-ZDUSSCGKSA-N -1 0 327.340 2.586 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595651831 982026817 /nfs/dbraw/zinc/02/68/17/982026817.db2.gz LJKMAIQJWGIDMW-OAHLLOKOSA-N -1 0 337.420 2.619 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595651964 982029065 /nfs/dbraw/zinc/02/90/65/982029065.db2.gz NDVRHYCHTPAIHK-QWRGUYRKSA-N -1 0 341.433 2.990 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001595704347 982274311 /nfs/dbraw/zinc/27/43/11/982274311.db2.gz GSOIQMZKCZUSNP-UHFFFAOYSA-N -1 0 335.372 2.912 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595704829 982279968 /nfs/dbraw/zinc/27/99/68/982279968.db2.gz ZJZAPXWZADFTPQ-UHFFFAOYSA-N -1 0 335.372 2.912 20 30 EFEDRM CCCCCCCCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001595705236 982283733 /nfs/dbraw/zinc/28/37/33/982283733.db2.gz SHIWEWXZDRJQID-QGZVFWFLSA-N -1 0 339.436 2.752 20 30 EFEDRM CCCCCCCS(=O)(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001595708720 982286654 /nfs/dbraw/zinc/28/66/54/982286654.db2.gz DAHKBUWQAMCAML-UHFFFAOYSA-N -1 0 334.463 2.507 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC001594901379 982355519 /nfs/dbraw/zinc/35/55/19/982355519.db2.gz GJPCBMNWRDLIMT-LKFCYVNXSA-N -1 0 340.832 2.919 20 30 EFEDRM CCCCN1C(=O)N[C@@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001595749521 982425199 /nfs/dbraw/zinc/42/51/99/982425199.db2.gz KPOAFRUKJFAWDA-HNNXBMFYSA-N -1 0 331.347 2.922 20 30 EFEDRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001594944538 982627910 /nfs/dbraw/zinc/62/79/10/982627910.db2.gz GPEOILGNVRPBQT-IAQYHMDHSA-N -1 0 341.367 2.832 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CC12CCCC2 ZINC000923065775 982703968 /nfs/dbraw/zinc/70/39/68/982703968.db2.gz SUZHLKNEIBYYQW-AUUYWEPGSA-N -1 0 344.386 2.659 20 30 EFEDRM CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923079228 982709826 /nfs/dbraw/zinc/70/98/26/982709826.db2.gz CDVHCAGJQHUBGH-SVGDTCPJSA-N -1 0 342.395 2.833 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000923078689 982710186 /nfs/dbraw/zinc/71/01/86/982710186.db2.gz HYTUVDDMBRFPTR-JJRVBVJISA-N -1 0 334.803 2.906 20 30 EFEDRM N#C[C@@]1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC12CCCC2 ZINC000923084672 982713839 /nfs/dbraw/zinc/71/38/39/982713839.db2.gz ZYFWJNVJUODFRA-JXXFODFXSA-N -1 0 338.407 2.787 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)C(=O)[O-] ZINC000923103436 982726509 /nfs/dbraw/zinc/72/65/09/982726509.db2.gz GSFATWDORRVKAC-WOPDTQHZSA-N -1 0 337.338 2.802 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC000923134880 982747569 /nfs/dbraw/zinc/74/75/69/982747569.db2.gz JGAUCFBLBQKSII-PWSUYJOCSA-N -1 0 343.301 2.863 20 30 EFEDRM CCCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595974403 983201932 /nfs/dbraw/zinc/20/19/32/983201932.db2.gz VOSNHSRZAXWWIP-MRXNPFEDSA-N -1 0 340.335 2.725 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001574790747 983276159 /nfs/dbraw/zinc/27/61/59/983276159.db2.gz WHSHPZXSQSKKEH-AWEZNQCLSA-N -1 0 328.755 2.810 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588368233 983304546 /nfs/dbraw/zinc/30/45/46/983304546.db2.gz IRJKUNMAAYYLGX-ZETCQYMHSA-N -1 0 343.152 2.772 20 30 EFEDRM C#C[C@@H](CC)NC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588369377 983313649 /nfs/dbraw/zinc/31/36/49/983313649.db2.gz JWYHIYKYOUQHSJ-INIZCTEOSA-N -1 0 328.412 2.761 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001588369594 983315585 /nfs/dbraw/zinc/31/55/85/983315585.db2.gz QQUFFEWHALGIKG-AWEZNQCLSA-N -1 0 341.363 2.871 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001588370478 983319577 /nfs/dbraw/zinc/31/95/77/983319577.db2.gz FDDGKZYQDGKEQQ-JTQLQIEISA-N -1 0 326.299 2.910 20 30 EFEDRM C#C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001588371980 983326492 /nfs/dbraw/zinc/32/64/92/983326492.db2.gz BDKBSIISBUOBBV-GXFFZTMASA-N -1 0 338.201 2.741 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001588372401 983330635 /nfs/dbraw/zinc/33/06/35/983330635.db2.gz JSFVVJJMVXWFBS-SIXWZSSISA-N -1 0 344.386 2.786 20 30 EFEDRM C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001588372471 983331148 /nfs/dbraw/zinc/33/11/48/983331148.db2.gz LGODDRXOOLIGSL-CQSZACIVSA-N -1 0 334.803 2.959 20 30 EFEDRM C#C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC001588373046 983336115 /nfs/dbraw/zinc/33/61/15/983336115.db2.gz YVGXZYVQMKDEDJ-UWVAXJGDSA-N -1 0 337.350 2.875 20 30 EFEDRM C#C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373032 983336256 /nfs/dbraw/zinc/33/62/56/983336256.db2.gz YODLAZQMDHOAFF-IUVQJJGASA-N -1 0 338.766 2.706 20 30 EFEDRM C#C[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001588374260 983342827 /nfs/dbraw/zinc/34/28/27/983342827.db2.gz SHFNLPMNHWIJIU-AWEZNQCLSA-N -1 0 332.743 2.805 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCOCC1 ZINC001588374364 983343218 /nfs/dbraw/zinc/34/32/18/983343218.db2.gz VRWKWPMGGQGOSH-AWEZNQCLSA-N -1 0 336.775 2.588 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001588374499 983344437 /nfs/dbraw/zinc/34/44/37/983344437.db2.gz YEIVZQBFJYVWFQ-AWEZNQCLSA-N -1 0 327.315 2.723 20 30 EFEDRM C#C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC001588376894 983354479 /nfs/dbraw/zinc/35/44/79/983354479.db2.gz ZKFVNNFQLWYTPF-YVZNUBBCSA-N -1 0 330.340 2.533 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377930 983360465 /nfs/dbraw/zinc/36/04/65/983360465.db2.gz SMZUCNUGDSKLEK-CYBMUJFWSA-N -1 0 332.718 2.677 20 30 EFEDRM C#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CCCC1 ZINC001588379731 983365309 /nfs/dbraw/zinc/36/53/09/983365309.db2.gz PPOMAYPPDLMEGZ-UHFFFAOYSA-N -1 0 343.404 2.762 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC(CCC(=O)[O-])CC2)n1CC ZINC001588389902 983389569 /nfs/dbraw/zinc/38/95/69/983389569.db2.gz FEUBCIQXHGPLLX-UHFFFAOYSA-N -1 0 332.448 2.680 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1CC ZINC001588390197 983391895 /nfs/dbraw/zinc/39/18/95/983391895.db2.gz NQRYQJIRGLYSDP-AWEZNQCLSA-N -1 0 346.475 2.926 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588390307 983393011 /nfs/dbraw/zinc/39/30/11/983393011.db2.gz QWKXGAIXTXYTDJ-ZIAGYGMSSA-N -1 0 332.448 2.659 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588390304 983393258 /nfs/dbraw/zinc/39/32/58/983393258.db2.gz QWKXGAIXTXYTDJ-KBPBESRZSA-N -1 0 332.448 2.659 20 30 EFEDRM C#CC[C@@H](COC)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588393739 983399833 /nfs/dbraw/zinc/39/98/33/983399833.db2.gz GBWZMFWTZVOCSM-LBPRGKRZSA-N -1 0 326.352 2.698 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588395867 983406900 /nfs/dbraw/zinc/40/69/00/983406900.db2.gz VBBFEEZXMVQSBY-CVEARBPZSA-N -1 0 346.427 2.566 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(C)=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588399569 983415829 /nfs/dbraw/zinc/41/58/29/983415829.db2.gz VRKREJYHUUTGCG-LJTDUEICSA-N -1 0 326.179 2.989 20 30 EFEDRM C#CC[C@H](NC(=O)/C(C)=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588399574 983415846 /nfs/dbraw/zinc/41/58/46/983415846.db2.gz VRKREJYHUUTGCG-XEHSLEBBSA-N -1 0 326.179 2.989 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(C)=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588399573 983415955 /nfs/dbraw/zinc/41/59/55/983415955.db2.gz VRKREJYHUUTGCG-MMQHEFTJSA-N -1 0 326.179 2.989 20 30 EFEDRM C#CC[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC001588406435 983425682 /nfs/dbraw/zinc/42/56/82/983425682.db2.gz QDASNDAYBTXRPB-QMMMGPOBSA-N -1 0 348.207 2.611 20 30 EFEDRM C#CC[C@H](NC(=O)CCC(=O)c1ccc(CCCC)cc1)C(=O)[O-] ZINC001588407406 983428259 /nfs/dbraw/zinc/42/82/59/983428259.db2.gz ZTIHQIQYXPWWDV-INIZCTEOSA-N -1 0 329.396 2.585 20 30 EFEDRM C#CC[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588408023 983430160 /nfs/dbraw/zinc/43/01/60/983430160.db2.gz VFNIQKNZALIDQN-YPMHNXCESA-N -1 0 343.408 2.966 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001588413547 983431123 /nfs/dbraw/zinc/43/11/23/983431123.db2.gz AREKTXPBZHHFGN-OAHLLOKOSA-N -1 0 345.301 2.963 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001588415942 983435973 /nfs/dbraw/zinc/43/59/73/983435973.db2.gz IMYJGFYVEVQZLA-GOSISDBHSA-N -1 0 337.375 2.780 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C1 ZINC001588432098 983467673 /nfs/dbraw/zinc/46/76/73/983467673.db2.gz YAFSEJHWBIWPHY-LBPRGKRZSA-N -1 0 346.383 2.669 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001588455473 983479926 /nfs/dbraw/zinc/47/99/26/983479926.db2.gz NOVXRDFONVKNMQ-QGZVFWFLSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001588455870 983480946 /nfs/dbraw/zinc/48/09/46/983480946.db2.gz UULOLHGVPNOOCN-QGZVFWFLSA-N -1 0 349.386 2.992 20 30 EFEDRM C#CCN(C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC001588459634 983485323 /nfs/dbraw/zinc/48/53/23/983485323.db2.gz FRNFGZIAMOTIRC-LLVKDONJSA-N -1 0 335.429 2.880 20 30 EFEDRM C#CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@@H]1CCCc2ccccc21 ZINC001588460200 983487061 /nfs/dbraw/zinc/48/70/61/983487061.db2.gz URGCMFIUUXVRFH-LJQANCHMSA-N -1 0 348.402 2.862 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001588465968 983497350 /nfs/dbraw/zinc/49/73/50/983497350.db2.gz PDQNCTIKAYBTEB-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001588466185 983498581 /nfs/dbraw/zinc/49/85/81/983498581.db2.gz ZADNPEBIZICNPP-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588471630 983507297 /nfs/dbraw/zinc/50/72/97/983507297.db2.gz UGMZVXDSHPVZMF-UHFFFAOYSA-N -1 0 343.404 2.517 20 30 EFEDRM CCN(C(=O)c1ccc(C(=O)[O-])n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001596165059 983528801 /nfs/dbraw/zinc/52/88/01/983528801.db2.gz IXZKHBVLXFOWEK-LBPRGKRZSA-N -1 0 325.368 2.818 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588490135 983530836 /nfs/dbraw/zinc/53/08/36/983530836.db2.gz HCWINPHACHITBF-ZANVPECISA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001588497853 983541569 /nfs/dbraw/zinc/54/15/69/983541569.db2.gz GOMXBIDQIILZIE-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001588498161 983543932 /nfs/dbraw/zinc/54/39/32/983543932.db2.gz YVMFZVJYRFCBSO-INIZCTEOSA-N -1 0 330.384 2.854 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001588499391 983545729 /nfs/dbraw/zinc/54/57/29/983545729.db2.gz YLSYDXIOZORTJT-UHFFFAOYSA-N -1 0 330.365 2.520 20 30 EFEDRM C#CCSCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588506598 983552066 /nfs/dbraw/zinc/55/20/66/983552066.db2.gz ZETPUQHCUUEMCC-UHFFFAOYSA-N -1 0 329.377 2.608 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001588511034 983558485 /nfs/dbraw/zinc/55/84/85/983558485.db2.gz RUKABFBFGRMZIQ-UHFFFAOYSA-N -1 0 346.346 2.529 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCCOC)cc1 ZINC001588516181 983560506 /nfs/dbraw/zinc/56/05/06/983560506.db2.gz CMHLPGZOSUGMMI-UHFFFAOYSA-N -1 0 339.347 2.644 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)cc1 ZINC001588516365 983560764 /nfs/dbraw/zinc/56/07/64/983560764.db2.gz IPKGSDZBMQGOOK-NSHDSACASA-N -1 0 327.311 2.911 20 30 EFEDRM C#Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001588518239 983568962 /nfs/dbraw/zinc/56/89/62/983568962.db2.gz XKQUNCFFLBEIHA-NWDGAFQWSA-N -1 0 340.301 2.785 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001588522129 983569421 /nfs/dbraw/zinc/56/94/21/983569421.db2.gz DDNFCCJZQPJJCK-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001588522209 983569975 /nfs/dbraw/zinc/56/99/75/983569975.db2.gz IXQGTDBVRVGDHE-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001588522284 983570271 /nfs/dbraw/zinc/57/02/71/983570271.db2.gz NRHBMUDPTIBAIN-UHFFFAOYSA-N -1 0 334.335 2.911 20 30 EFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001588523231 983571967 /nfs/dbraw/zinc/57/19/67/983571967.db2.gz BWQLNHZBTPOLJP-UHFFFAOYSA-N -1 0 342.738 2.597 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001588524517 983575488 /nfs/dbraw/zinc/57/54/88/983575488.db2.gz MUOMPHPFFBDIMD-AWEZNQCLSA-N -1 0 337.375 2.551 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588528913 983579040 /nfs/dbraw/zinc/57/90/40/983579040.db2.gz IPGFFJRZDSSPGL-UHFFFAOYSA-N -1 0 343.177 2.814 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cccc(C(=O)[O-])c2Br)c1 ZINC001588529271 983580753 /nfs/dbraw/zinc/58/07/53/983580753.db2.gz VDSQGBOEVVIRES-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C=C(Br)CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588529374 983580996 /nfs/dbraw/zinc/58/09/96/983580996.db2.gz XQYABSYQMAUHCP-SECBINFHSA-N -1 0 331.235 2.929 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588535768 983590711 /nfs/dbraw/zinc/59/07/11/983590711.db2.gz LQPFPMLNQGHHCC-QWHCGFSZSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588536272 983593071 /nfs/dbraw/zinc/59/30/71/983593071.db2.gz WSDXGIWAUACGCG-IXPVHAAZSA-N -1 0 338.354 2.944 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588536664 983595297 /nfs/dbraw/zinc/59/52/97/983595297.db2.gz TXZJRPHOYHAROC-WMLDXEAASA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588536706 983595404 /nfs/dbraw/zinc/59/54/04/983595404.db2.gz UENKSOIEJAETTC-XPTSAGLGSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588536914 983596704 /nfs/dbraw/zinc/59/67/04/983596704.db2.gz VQJNPVPKRRDUCA-CJNGLKHVSA-N -1 0 348.399 2.634 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001588536962 983596707 /nfs/dbraw/zinc/59/67/07/983596707.db2.gz WDGBDYWDFRMEFQ-GFCCVEGCSA-N -1 0 328.372 2.565 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588542274 983607972 /nfs/dbraw/zinc/60/79/72/983607972.db2.gz FFJXECBJUMNGLQ-LLVKDONJSA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(F)cc(Br)c1F)C(=O)[O-] ZINC001588546362 983615090 /nfs/dbraw/zinc/61/50/90/983615090.db2.gz IBIODEQALFDMCO-SNVBAGLBSA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(SC(F)(F)F)nc1)C(=O)[O-] ZINC001588547190 983618790 /nfs/dbraw/zinc/61/87/90/983618790.db2.gz VQFBPRRMQMTGDQ-SECBINFHSA-N -1 0 334.319 2.843 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)C(=O)[O-] ZINC001588548589 983624363 /nfs/dbraw/zinc/62/43/63/983624363.db2.gz RGGOPLRIGBOIMX-LBPRGKRZSA-N -1 0 346.408 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588548434 983624537 /nfs/dbraw/zinc/62/45/37/983624537.db2.gz UIYIESANBMVJFN-CQSZACIVSA-N -1 0 339.775 2.552 20 30 EFEDRM C=C(C)C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)C(=O)[O-] ZINC001588554869 983632247 /nfs/dbraw/zinc/63/22/47/983632247.db2.gz SCQPUGZIBBBFIQ-MRXNPFEDSA-N -1 0 334.379 2.945 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCCOC ZINC001588562625 983643143 /nfs/dbraw/zinc/64/31/43/983643143.db2.gz ARSCDLOYBGHUKQ-UHFFFAOYSA-N -1 0 336.388 2.840 20 30 EFEDRM C=C(C)CN(CC)C(=O)COc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001588562739 983643883 /nfs/dbraw/zinc/64/38/83/983643883.db2.gz GMZCTDNXGBYJOX-CLFYSBASSA-N -1 0 333.384 2.596 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001588567068 983646055 /nfs/dbraw/zinc/64/60/55/983646055.db2.gz AXWMBVJYNUPHRG-UHFFFAOYSA-N -1 0 328.372 2.729 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001588567137 983646472 /nfs/dbraw/zinc/64/64/72/983646472.db2.gz DWYJQGOFSAKKBC-UHFFFAOYSA-N -1 0 346.383 2.634 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)NCCCC(=O)[O-] ZINC001588568006 983648912 /nfs/dbraw/zinc/64/89/12/983648912.db2.gz YZDLFCYOPVBINJ-UHFFFAOYSA-N -1 0 338.477 2.581 20 30 EFEDRM C=C(C)CNC(=S)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588570332 983651342 /nfs/dbraw/zinc/65/13/42/983651342.db2.gz YVDCXLZTEOXYQJ-UHFFFAOYSA-N -1 0 330.356 2.891 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588579093 983660688 /nfs/dbraw/zinc/66/06/88/983660688.db2.gz UOXUKYYAONBCCK-KRWDZBQOSA-N -1 0 330.388 2.805 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588589770 983668356 /nfs/dbraw/zinc/66/83/56/983668356.db2.gz TWSVRVJQOQFDPQ-RDTXWAMCSA-N -1 0 345.447 2.953 20 30 EFEDRM C=C(C)Cn1c([C@H](O)/C=C/CC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591691 983673805 /nfs/dbraw/zinc/67/38/05/983673805.db2.gz LQAVODJTRLZGBS-IUCDDXOCSA-N -1 0 348.447 2.545 20 30 EFEDRM C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588591694 983673870 /nfs/dbraw/zinc/67/38/70/983673870.db2.gz LQAVODJTRLZGBS-ZFEMFGBMSA-N -1 0 348.447 2.545 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588591689 983673885 /nfs/dbraw/zinc/67/38/85/983673885.db2.gz LOTQUTQGISGLAV-LSDHHAIUSA-N -1 0 343.431 2.562 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588591908 983674753 /nfs/dbraw/zinc/67/47/53/983674753.db2.gz OFUBVQQFCQHYPW-PMOUVXMZSA-N -1 0 330.432 2.525 20 30 EFEDRM C=C(C)Cn1c(C)nnc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588592201 983676238 /nfs/dbraw/zinc/67/62/38/983676238.db2.gz TURHRKGTBDHCBL-UHFFFAOYSA-N -1 0 347.444 2.701 20 30 EFEDRM C=C(C)Cn1c(C2CC2)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588592294 983676700 /nfs/dbraw/zinc/67/67/00/983676700.db2.gz VUPOSLLWWHIBPS-UHFFFAOYSA-N -1 0 338.411 2.993 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnc1C(C)(C)F ZINC001588598887 983686901 /nfs/dbraw/zinc/68/69/01/983686901.db2.gz RIHIMHYYCHYHIN-QWHCGFSZSA-N -1 0 336.411 2.606 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001588599573 983690700 /nfs/dbraw/zinc/69/07/00/983690700.db2.gz XTPAOGZBGRSBAA-ZANVPECISA-N -1 0 325.748 2.664 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1 ZINC001588612382 983703126 /nfs/dbraw/zinc/70/31/26/983703126.db2.gz PLKKHJBRNQCDLA-UHFFFAOYSA-N -1 0 327.384 2.683 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001588619559 983717481 /nfs/dbraw/zinc/71/74/81/983717481.db2.gz XQOHCAVQIYMSIP-HNNXBMFYSA-N -1 0 336.369 2.590 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F ZINC001588621572 983720042 /nfs/dbraw/zinc/72/00/42/983720042.db2.gz GVMWIBYVWUAXLG-ZDUSSCGKSA-N -1 0 331.290 2.836 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001588622405 983723624 /nfs/dbraw/zinc/72/36/24/983723624.db2.gz XPYUTGSZRYFHFR-HNNXBMFYSA-N -1 0 345.395 2.597 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 ZINC001588623242 983727043 /nfs/dbraw/zinc/72/70/43/983727043.db2.gz NIGAPQPVXRAPHE-KRWDZBQOSA-N -1 0 338.407 2.945 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC001588629372 983737077 /nfs/dbraw/zinc/73/70/77/983737077.db2.gz JGJGBDKJCUGZDD-UHFFFAOYSA-N -1 0 336.351 2.780 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001588629694 983739095 /nfs/dbraw/zinc/73/90/95/983739095.db2.gz QUDLWTACOXXZKG-CYBMUJFWSA-N -1 0 337.347 2.743 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC001588629885 983739984 /nfs/dbraw/zinc/73/99/84/983739984.db2.gz LWCNUACTPXXWTC-UHFFFAOYSA-N -1 0 341.791 2.785 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC001588630113 983741251 /nfs/dbraw/zinc/74/12/51/983741251.db2.gz QZDFSMZIQOZGPI-UHFFFAOYSA-N -1 0 340.379 2.698 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC001588633110 983747717 /nfs/dbraw/zinc/74/77/17/983747717.db2.gz BGRYJSVWVAALOH-UHFFFAOYSA-N -1 0 327.764 2.725 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Oc1cc(Br)ccc1OC ZINC001588633116 983747780 /nfs/dbraw/zinc/74/77/80/983747780.db2.gz IKUCGPWJCILEGC-UHFFFAOYSA-N -1 0 329.146 2.784 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(I)c1 ZINC001588633135 983748290 /nfs/dbraw/zinc/74/82/90/983748290.db2.gz BTOYAUZRECPDBN-UHFFFAOYSA-N -1 0 345.136 2.651 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC001588633633 983750518 /nfs/dbraw/zinc/75/05/18/983750518.db2.gz LAXUNSKBVSIMKD-JKSUJKDBSA-N -1 0 333.384 2.728 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC001588633615 983750543 /nfs/dbraw/zinc/75/05/43/983750543.db2.gz KIPNIFSNGXAPDE-UHFFFAOYSA-N -1 0 327.340 2.937 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1Sc1ncccn1 ZINC001588634030 983751696 /nfs/dbraw/zinc/75/16/96/983751696.db2.gz PSAGYVNPTXICEJ-UHFFFAOYSA-N -1 0 329.381 2.987 20 30 EFEDRM C=C(CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001588637815 983761125 /nfs/dbraw/zinc/76/11/25/983761125.db2.gz WINBZOIKEPFGQM-UHFFFAOYSA-N -1 0 331.393 2.518 20 30 EFEDRM C=C(Cl)C[C@H]1NC(=O)N(c2ccc(C(C)(C)C(=O)[O-])cc2)C1=O ZINC001588641618 983762773 /nfs/dbraw/zinc/76/27/73/983762773.db2.gz GNKSXOJHFHYDOY-GFCCVEGCSA-N -1 0 336.775 2.616 20 30 EFEDRM C=C(Cn1c(CC)nnc1N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588643585 983766594 /nfs/dbraw/zinc/76/65/94/983766594.db2.gz MYPXJRGWACCSAB-INIZCTEOSA-N -1 0 340.427 2.855 20 30 EFEDRM C=C1CC(C)(C(=O)NCc2ccccc2-c2cc(C(=O)[O-])n[nH]2)C1 ZINC001588644378 983769590 /nfs/dbraw/zinc/76/95/90/983769590.db2.gz SMAPYRBEOXDCOU-UHFFFAOYSA-N -1 0 325.368 2.747 20 30 EFEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1)c1ccccc1 ZINC001588661458 983786108 /nfs/dbraw/zinc/78/61/08/983786108.db2.gz IZVIESPPTULYAU-XSLAGTTESA-N -1 0 343.423 2.827 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664243 983799512 /nfs/dbraw/zinc/79/95/12/983799512.db2.gz OYWZSQWLSUSNIA-UKRRQHHQSA-N -1 0 346.427 2.829 20 30 EFEDRM C=C[C@H](C(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C)c1ccccc1 ZINC001588664687 983802566 /nfs/dbraw/zinc/80/25/66/983802566.db2.gz TUVRAOVVXRSOIG-DOXZYTNZSA-N -1 0 331.412 2.731 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588677144 983833692 /nfs/dbraw/zinc/83/36/92/983833692.db2.gz TVDHLPYPKKABMD-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CC(C)(C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001588680672 983835480 /nfs/dbraw/zinc/83/54/80/983835480.db2.gz DNJKAYGTNUVHRN-UHFFFAOYSA-N -1 0 345.182 2.711 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588682210 983843500 /nfs/dbraw/zinc/84/35/00/983843500.db2.gz IZAXKAQSVLQPCR-INIZCTEOSA-N -1 0 336.344 2.769 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001588684450 983859631 /nfs/dbraw/zinc/85/96/31/983859631.db2.gz RAWMJMJHGRYVFJ-QGZVFWFLSA-N -1 0 346.408 2.698 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001588686788 983866570 /nfs/dbraw/zinc/86/65/70/983866570.db2.gz FDJNCZKEFGLONM-SSDOTTSWSA-N -1 0 329.150 2.775 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588687313 983870155 /nfs/dbraw/zinc/87/01/55/983870155.db2.gz MUVCXEHGLUCMCZ-NSHDSACASA-N -1 0 330.344 2.507 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588687311 983870545 /nfs/dbraw/zinc/87/05/45/983870545.db2.gz MUVCXEHGLUCMCZ-LLVKDONJSA-N -1 0 330.344 2.507 20 30 EFEDRM C=C[C@H](CC(=O)Nc1c(C(=O)[O-])c[nH]c1C(=O)OC)c1ccccc1 ZINC001588690832 983876964 /nfs/dbraw/zinc/87/69/64/983876964.db2.gz MIVPFLYUQRYWKH-LLVKDONJSA-N -1 0 342.351 2.798 20 30 EFEDRM C=C[C@@H](NCc1c(F)c(F)c(Br)c(F)c1F)C(=O)[O-] ZINC001588701578 983915159 /nfs/dbraw/zinc/91/51/59/983915159.db2.gz SVFJGEPTQUBSDC-RXMQYKEDSA-N -1 0 342.086 2.734 20 30 EFEDRM C=C[C@@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)[O-] ZINC001588702566 983920842 /nfs/dbraw/zinc/92/08/42/983920842.db2.gz UYYGLBLAJCBGEN-MRXNPFEDSA-N -1 0 346.408 2.680 20 30 EFEDRM C=C[C@@H](Nc1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588702602 983921537 /nfs/dbraw/zinc/92/15/37/983921537.db2.gz VVACEQXMLVZRIQ-MRXNPFEDSA-N -1 0 326.352 2.755 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588718875 983958495 /nfs/dbraw/zinc/95/84/95/983958495.db2.gz IIVBDSHAGXDTNN-LBPRGKRZSA-N -1 0 332.356 2.744 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588719420 983960281 /nfs/dbraw/zinc/96/02/81/983960281.db2.gz QYSAQGKILJJKBG-AWEZNQCLSA-N -1 0 328.372 2.693 20 30 EFEDRM C=CC[C@H](C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC001588720683 983968856 /nfs/dbraw/zinc/96/88/56/983968856.db2.gz DPNXCWRYLWKWLW-ROUUACIJSA-N -1 0 338.407 2.801 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588736794 984027318 /nfs/dbraw/zinc/02/73/18/984027318.db2.gz UWJNTRFSLQPAKU-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588737462 984029282 /nfs/dbraw/zinc/02/92/82/984029282.db2.gz LAIJSHWFEBLYIN-GFCCVEGCSA-N -1 0 338.429 2.560 20 30 EFEDRM C=CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccncc1 ZINC001588742886 984035390 /nfs/dbraw/zinc/03/53/90/984035390.db2.gz MZGDOTCRPRJVCA-DAYGRLMNSA-N -1 0 329.400 2.595 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccncc1 ZINC001588743519 984037661 /nfs/dbraw/zinc/03/76/61/984037661.db2.gz ZEGQGGJULRTFES-OAHLLOKOSA-N -1 0 329.356 2.798 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588744506 984043044 /nfs/dbraw/zinc/04/30/44/984043044.db2.gz NRTIHDONGYOYMN-UHFFFAOYSA-N -1 0 338.354 2.999 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC001588750514 984072216 /nfs/dbraw/zinc/07/22/16/984072216.db2.gz FMVQPMQAKKASOV-KCJUWKMLSA-N -1 0 348.321 2.738 20 30 EFEDRM C=CC[C@H](OC(=O)C1(Cc2cccc(F)c2)CCOCC1)C(=O)[O-] ZINC001588751402 984076791 /nfs/dbraw/zinc/07/67/91/984076791.db2.gz MKGRLONEHZXAOA-HNNXBMFYSA-N -1 0 336.359 2.738 20 30 EFEDRM C=CC[C@@H](OC(=O)C1(c2ccc(OC)c(OC)c2)CCC1)C(=O)[O-] ZINC001588751492 984077376 /nfs/dbraw/zinc/07/73/76/984077376.db2.gz NELIPZZKKSIFEF-CQSZACIVSA-N -1 0 334.368 2.698 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(Cn2nc(C)cc2C)cc1)C(=O)[O-] ZINC001588756569 984098203 /nfs/dbraw/zinc/09/82/03/984098203.db2.gz LWJAQZFIKMVYLI-INIZCTEOSA-N -1 0 328.368 2.734 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1 ZINC001588766995 984126904 /nfs/dbraw/zinc/12/69/04/984126904.db2.gz CWDDBIDIKLATTQ-UHFFFAOYSA-N -1 0 348.374 2.715 20 30 EFEDRM C=CC[C@@]1(C(=O)O[C@@H](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588767220 984129003 /nfs/dbraw/zinc/12/90/03/984129003.db2.gz PKNBQVSKJLBWES-SJCJKPOMSA-N -1 0 341.404 2.739 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588770771 984136168 /nfs/dbraw/zinc/13/61/68/984136168.db2.gz GKXLANYNJKKENE-JQWIXIFHSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1(C)C ZINC001588773700 984148685 /nfs/dbraw/zinc/14/86/85/984148685.db2.gz GFSCIHRSNMRUPU-RDBSUJKOSA-N -1 0 329.462 2.636 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001588774268 984151542 /nfs/dbraw/zinc/15/15/42/984151542.db2.gz WCFJMHWDVRQGBO-INIZCTEOSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001588777747 984157281 /nfs/dbraw/zinc/15/72/81/984157281.db2.gz IMRFEXTXDZJVOO-UHFFFAOYSA-N -1 0 343.420 2.724 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001588777738 984157470 /nfs/dbraw/zinc/15/74/70/984157470.db2.gz IBLAHBRCGMAKGB-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588778007 984158917 /nfs/dbraw/zinc/15/89/17/984158917.db2.gz PDEYZXBFFWHCCO-UHFFFAOYSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001588778121 984159460 /nfs/dbraw/zinc/15/94/60/984159460.db2.gz TZDWNVGGXHMUEG-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCCC(C)(C)NC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001588778174 984159845 /nfs/dbraw/zinc/15/98/45/984159845.db2.gz WHRAYXOGEBDSNC-UHFFFAOYSA-N -1 0 326.422 2.812 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCCC1 ZINC001588778948 984163591 /nfs/dbraw/zinc/16/35/91/984163591.db2.gz OJLDNDWLJAFGHA-KGLIPLIRSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cccnc1C(=O)[O-])c1ccccc1 ZINC001588779169 984165151 /nfs/dbraw/zinc/16/51/51/984165151.db2.gz UNKQWEUDSJUVCA-AWEZNQCLSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCC[C@H]1NC(=O)N(c2cc(Cl)c(F)c(C(=O)[O-])c2)C1=O ZINC001588781737 984167693 /nfs/dbraw/zinc/16/76/93/984167693.db2.gz FPGJPTXDJVVGQE-SNVBAGLBSA-N -1 0 326.711 2.568 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588781831 984168594 /nfs/dbraw/zinc/16/85/94/984168594.db2.gz JSJUAJBKDXMMHO-ZDUSSCGKSA-N -1 0 341.404 2.952 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001588782619 984173442 /nfs/dbraw/zinc/17/34/42/984173442.db2.gz WUJYCVKRJCVQMN-JTQLQIEISA-N -1 0 345.442 2.574 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001588782620 984173614 /nfs/dbraw/zinc/17/36/14/984173614.db2.gz WUJYCVKRJCVQMN-SNVBAGLBSA-N -1 0 345.442 2.574 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](CC)Nc1cccnc1Cl)C(=O)[O-] ZINC001588784922 984178374 /nfs/dbraw/zinc/17/83/74/984178374.db2.gz DEOQRDCSWOXGDJ-AAEUAGOBSA-N -1 0 339.823 2.851 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001588786135 984182969 /nfs/dbraw/zinc/18/29/69/984182969.db2.gz MTJGNZKTCOOTFS-DOTOQJQBSA-N -1 0 344.411 2.887 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)C(=O)[O-] ZINC001588787361 984186895 /nfs/dbraw/zinc/18/68/95/984186895.db2.gz VTSRUHLOXKDFCA-LLVKDONJSA-N -1 0 333.281 2.982 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)[O-] ZINC001588788586 984191044 /nfs/dbraw/zinc/19/10/44/984191044.db2.gz HTCQFMMVQZTJAK-LBPRGKRZSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(=O)[O-] ZINC001588788835 984193869 /nfs/dbraw/zinc/19/38/69/984193869.db2.gz PHCDGIZPBBOCLX-KRWDZBQOSA-N -1 0 326.396 2.946 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)[O-] ZINC001588792437 984209414 /nfs/dbraw/zinc/20/94/14/984209414.db2.gz HGGJBRZETVOTKU-HNNXBMFYSA-N -1 0 341.411 2.840 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001588792647 984211638 /nfs/dbraw/zinc/21/16/38/984211638.db2.gz KTWLGFBUKUJWQO-GFCCVEGCSA-N -1 0 326.190 2.988 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(Br)c(C)c1)C(=O)[O-] ZINC001588792808 984212716 /nfs/dbraw/zinc/21/27/16/984212716.db2.gz GBAHOTPLIGNEHI-LLVKDONJSA-N -1 0 341.205 2.692 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2nnc(C(C)(C)C)n2c1)C(=O)[O-] ZINC001588792872 984213752 /nfs/dbraw/zinc/21/37/52/984213752.db2.gz HAGLTWWVKIWEIJ-ZDUSSCGKSA-N -1 0 344.415 2.566 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(O)ccc1C(F)(F)F)C(=O)[O-] ZINC001588793046 984215793 /nfs/dbraw/zinc/21/57/93/984215793.db2.gz ROZHUHDJVCQADG-LBPRGKRZSA-N -1 0 331.290 2.950 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)cc1O)C(=O)[O-] ZINC001588793416 984218854 /nfs/dbraw/zinc/21/88/54/984218854.db2.gz XLDBLEKQQATUPW-NSHDSACASA-N -1 0 342.189 2.694 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)C(=O)[O-] ZINC001588793477 984219590 /nfs/dbraw/zinc/21/95/90/984219590.db2.gz RFXUNTHMRYISJH-CQSZACIVSA-N -1 0 343.383 2.616 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001588793747 984221997 /nfs/dbraw/zinc/22/19/97/984221997.db2.gz ZYPRRTPJAGSRTN-JTQLQIEISA-N -1 0 327.283 2.547 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)CC(=O)[O-] ZINC001588794533 984228190 /nfs/dbraw/zinc/22/81/90/984228190.db2.gz XZEZGWJMEPXHEV-GFCCVEGCSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC001588797262 984228791 /nfs/dbraw/zinc/22/87/91/984228791.db2.gz AHIFUJOYFXAJBL-HNNXBMFYSA-N -1 0 340.379 2.980 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1nc(SC)n2ccccc12)C(=O)[O-] ZINC001588797896 984231777 /nfs/dbraw/zinc/23/17/77/984231777.db2.gz NAHNVDIOIHXPFA-LLVKDONJSA-N -1 0 333.413 2.596 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001588797920 984232271 /nfs/dbraw/zinc/23/22/71/984232271.db2.gz NVUXUKKNBYRZOQ-UKRRQHHQSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc2c(C)ccnc21)C(=O)[O-] ZINC001588798491 984236604 /nfs/dbraw/zinc/23/66/04/984236604.db2.gz HKCSRUAHTCBVJS-AWEZNQCLSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cccc2c(C)ccnc21)C(=O)[O-] ZINC001588798492 984236639 /nfs/dbraw/zinc/23/66/39/984236639.db2.gz HKCSRUAHTCBVJS-CQSZACIVSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC001588798638 984237797 /nfs/dbraw/zinc/23/77/97/984237797.db2.gz MKJLDSBYRRNTRM-LBPRGKRZSA-N -1 0 339.438 2.989 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001588801249 984245069 /nfs/dbraw/zinc/24/50/69/984245069.db2.gz CCRVEYQIWKGPFR-UHFFFAOYSA-N -1 0 332.400 2.700 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588801748 984247463 /nfs/dbraw/zinc/24/74/63/984247463.db2.gz YRPMVPUHERFOPV-UHFFFAOYSA-N -1 0 329.393 2.809 20 30 EFEDRM C=CCCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001588803745 984251786 /nfs/dbraw/zinc/25/17/86/984251786.db2.gz HQQVDSZMIPGGSP-UHFFFAOYSA-N -1 0 338.385 2.858 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001588807204 984258046 /nfs/dbraw/zinc/25/80/46/984258046.db2.gz CEKXHYKSILWCJX-UHFFFAOYSA-N -1 0 332.400 2.959 20 30 EFEDRM CCNc1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001596507793 984266492 /nfs/dbraw/zinc/26/64/92/984266492.db2.gz QAAYIYVHBSVOHW-UHFFFAOYSA-N -1 0 331.353 2.502 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001588814637 984271464 /nfs/dbraw/zinc/27/14/64/984271464.db2.gz JBKHXKAXOWEJOE-UHFFFAOYSA-N -1 0 349.408 2.883 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1 ZINC001588814768 984272751 /nfs/dbraw/zinc/27/27/51/984272751.db2.gz QILXNMXOYKZNEX-CJNGLKHVSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC001588814763 984272755 /nfs/dbraw/zinc/27/27/55/984272755.db2.gz PZBVBMBBNJPDTL-UHFFFAOYSA-N -1 0 335.425 2.576 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001588814791 984273364 /nfs/dbraw/zinc/27/33/64/984273364.db2.gz QZOXZCLITWBNOW-ZDUSSCGKSA-N -1 0 337.441 2.822 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001588814790 984273605 /nfs/dbraw/zinc/27/36/05/984273605.db2.gz QZOXZCLITWBNOW-CYBMUJFWSA-N -1 0 337.441 2.822 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001588814918 984273879 /nfs/dbraw/zinc/27/38/79/984273879.db2.gz YMRMBQXRMTXJNT-HNNXBMFYSA-N -1 0 337.441 2.584 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588814939 984274726 /nfs/dbraw/zinc/27/47/26/984274726.db2.gz ZKEFCPWIWYSLPM-UHFFFAOYSA-N -1 0 349.861 2.626 20 30 EFEDRM C=CCCn1cc(C(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)nn1 ZINC001588817953 984277865 /nfs/dbraw/zinc/27/78/65/984277865.db2.gz YGUAQNVUUSKZLL-MRXNPFEDSA-N -1 0 342.399 2.532 20 30 EFEDRM C=CCCn1cc(COc2cc(/C=C\C(=O)[O-])ccc2OC)nn1 ZINC001588819898 984279960 /nfs/dbraw/zinc/27/99/60/984279960.db2.gz GYBWVHYFTDVLGG-VURMDHGXSA-N -1 0 329.356 2.540 20 30 EFEDRM C=CCCn1cc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)nn1 ZINC001588820106 984282427 /nfs/dbraw/zinc/28/24/27/984282427.db2.gz QLWYKAIGCWGFEN-GOSISDBHSA-N -1 0 336.395 2.923 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H](C)COC ZINC001588820704 984285774 /nfs/dbraw/zinc/28/57/74/984285774.db2.gz OPEONKIITHNUSY-SECBINFHSA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588828604 984307756 /nfs/dbraw/zinc/30/77/56/984307756.db2.gz DGJLAKQUCNOSQZ-TVFCKZIOSA-N -1 0 342.439 2.926 20 30 EFEDRM C=CCN(CCOC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588829013 984310637 /nfs/dbraw/zinc/31/06/37/984310637.db2.gz YKJTWLAIYUKVRP-UHFFFAOYSA-N -1 0 338.429 2.991 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588832879 984327314 /nfs/dbraw/zinc/32/73/14/984327314.db2.gz UZSOXGZPWLXMPW-DLBZAZTESA-N -1 0 341.411 2.899 20 30 EFEDRM C=CCNC(=O)COC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001588844121 984355781 /nfs/dbraw/zinc/35/57/81/984355781.db2.gz CSDPNWDBISDUON-UHFFFAOYSA-N -1 0 339.347 2.511 20 30 EFEDRM C=CCNc1ncc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC001588849336 984370354 /nfs/dbraw/zinc/37/03/54/984370354.db2.gz LIYQNWPLAPUBLX-GFCCVEGCSA-N -1 0 337.445 2.752 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001588849665 984373371 /nfs/dbraw/zinc/37/33/71/984373371.db2.gz DJZOIJGXCPFLGX-JTQLQIEISA-N -1 0 342.754 2.986 20 30 EFEDRM C=CCNc1nnc(SCc2cn3cccc(C(=O)[O-])c3n2)s1 ZINC001588850060 984378631 /nfs/dbraw/zinc/37/86/31/984378631.db2.gz VRIKQCTUUSOMDO-UHFFFAOYSA-N -1 0 347.425 2.774 20 30 EFEDRM C=CCO[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001588850152 984379358 /nfs/dbraw/zinc/37/93/58/984379358.db2.gz ZXCTXQKGCGNWEQ-SECBINFHSA-N -1 0 326.736 2.728 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])C1 ZINC001588850128 984379477 /nfs/dbraw/zinc/37/94/77/984379477.db2.gz YJOCDGNOAQVTBZ-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588853824 984386441 /nfs/dbraw/zinc/38/64/41/984386441.db2.gz JHUJHHJAHRQPAW-PXAMLJHWSA-N -1 0 343.354 2.764 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588855472 984393350 /nfs/dbraw/zinc/39/33/50/984393350.db2.gz HVKSAQKVVOHYQY-IAGOWNOFSA-N -1 0 346.427 2.518 20 30 EFEDRM C=CCOC[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001588856915 984402353 /nfs/dbraw/zinc/40/23/53/984402353.db2.gz RZBOAKKEZVZHOH-INIZCTEOSA-N -1 0 345.420 2.704 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC001588859194 984403832 /nfs/dbraw/zinc/40/38/32/984403832.db2.gz CNDIAUBBPHXXQH-ZDUSSCGKSA-N -1 0 349.383 2.940 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001588859264 984404457 /nfs/dbraw/zinc/40/44/57/984404457.db2.gz FVGVRWBRKBYRRQ-NSHDSACASA-N -1 0 339.800 2.940 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2c(Cl)cccc2nc1C)C(=O)[O-] ZINC001588859761 984408204 /nfs/dbraw/zinc/40/82/04/984408204.db2.gz WBSUTBBKZSNQOL-HNNXBMFYSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001588859941 984409752 /nfs/dbraw/zinc/40/97/52/984409752.db2.gz BZWODJAWDDVEMR-JTQLQIEISA-N -1 0 339.800 2.940 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC001588862365 984418413 /nfs/dbraw/zinc/41/84/13/984418413.db2.gz WKLFNPKFFDDQGU-QGZVFWFLSA-N -1 0 340.379 2.816 20 30 EFEDRM CCOC(=O)C1(N(C)Cc2cccc(C(=O)[O-])c2C#N)CCCCC1 ZINC001596559933 984433972 /nfs/dbraw/zinc/43/39/72/984433972.db2.gz QVQHEPMENJEDHZ-UHFFFAOYSA-N -1 0 344.411 2.954 20 30 EFEDRM C=CCOCCn1ncc2c1cc(Br)cc2C(=O)[O-] ZINC001588868929 984436513 /nfs/dbraw/zinc/43/65/13/984436513.db2.gz ZUTKHCRRHIUKFM-UHFFFAOYSA-N -1 0 325.162 2.700 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588869591 984439907 /nfs/dbraw/zinc/43/99/07/984439907.db2.gz NUYTZZRUSPMXKE-KRWDZBQOSA-N -1 0 343.354 2.989 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC001588874039 984447107 /nfs/dbraw/zinc/44/71/07/984447107.db2.gz SXDAVRBNCNELRZ-UHFFFAOYSA-N -1 0 328.368 2.825 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1 ZINC001588874148 984448110 /nfs/dbraw/zinc/44/81/10/984448110.db2.gz YPTQTUZADCHAPJ-KBPBESRZSA-N -1 0 331.412 2.894 20 30 EFEDRM C=CCSc1ccccc1C(=O)NCCSCCC(=O)[O-] ZINC001588879804 984459821 /nfs/dbraw/zinc/45/98/21/984459821.db2.gz QDXFKYKDFYPOEI-UHFFFAOYSA-N -1 0 325.455 2.902 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001588879882 984460115 /nfs/dbraw/zinc/46/01/15/984460115.db2.gz WZWYBDRZRBIJJT-UHFFFAOYSA-N -1 0 330.409 2.795 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC001588881801 984460952 /nfs/dbraw/zinc/46/09/52/984460952.db2.gz FAYZFMSLGVUVBI-ZIBATOQPSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC[C@H]1OC ZINC001588881638 984461005 /nfs/dbraw/zinc/46/10/05/984461005.db2.gz DGYVBUVDWUBWSG-UONOGXRCSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C(C)(C)n1cccn1 ZINC001588882395 984462514 /nfs/dbraw/zinc/46/25/14/984462514.db2.gz QQBQPKUMSAGMGK-UHFFFAOYSA-N -1 0 344.367 2.659 20 30 EFEDRM C=CCc1cc(C(=O)Nc2cccc(C(=O)[O-])n2)cc(OC)c1OC ZINC001588882446 984462925 /nfs/dbraw/zinc/46/29/25/984462925.db2.gz SRZUJQKFFJOEHE-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccn(CC)n1 ZINC001588884765 984464007 /nfs/dbraw/zinc/46/40/07/984464007.db2.gz AEOQGPVNXRCZBA-UHFFFAOYSA-N -1 0 330.340 2.558 20 30 EFEDRM C=CCc1ccc(OC(=O)CCCn2ccc(C(=O)[O-])n2)c(OC)c1 ZINC001588885507 984468118 /nfs/dbraw/zinc/46/81/18/984468118.db2.gz NWWMUZTUFNPUHO-UHFFFAOYSA-N -1 0 344.367 2.704 20 30 EFEDRM C=CCc1cc([C@@H]2NC(=O)N(CC)C(C)=C2C(=O)[O-])cc(OC)c1O ZINC001588885789 984469744 /nfs/dbraw/zinc/46/97/44/984469744.db2.gz WGKPWUNEMDFHPB-HNNXBMFYSA-N -1 0 346.383 2.574 20 30 EFEDRM C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588886190 984471031 /nfs/dbraw/zinc/47/10/31/984471031.db2.gz DPMSBKVVFISWDA-ZDUSSCGKSA-N -1 0 330.388 2.642 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2cccc(C(=O)[O-])n2)c(OC)c1 ZINC001588886200 984471118 /nfs/dbraw/zinc/47/11/18/984471118.db2.gz FBYCXZACFMTOMV-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C=CCn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588886856 984474006 /nfs/dbraw/zinc/47/40/06/984474006.db2.gz STLVOUIFFLNZEW-BXUZGUMPSA-N -1 0 344.415 2.888 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC001588886987 984474778 /nfs/dbraw/zinc/47/47/78/984474778.db2.gz WKFRYANLCMWAAA-GOSISDBHSA-N -1 0 332.400 2.592 20 30 EFEDRM C=CCc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001588887048 984475362 /nfs/dbraw/zinc/47/53/62/984475362.db2.gz ZYEFHKYNYOQFFH-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM C=CCn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588889376 984479509 /nfs/dbraw/zinc/47/95/09/984479509.db2.gz SASCZNDTANGCEP-OAHLLOKOSA-N -1 0 349.394 2.590 20 30 EFEDRM C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588895450 984493256 /nfs/dbraw/zinc/49/32/56/984493256.db2.gz GIJLJNKNGLVEMB-RDTXWAMCSA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@@H](O)/C=C\CC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895625 984495158 /nfs/dbraw/zinc/49/51/58/984495158.db2.gz JZNMGGFVGYRNBJ-YVACAVLKSA-N -1 0 348.447 2.545 20 30 EFEDRM C=CCn1c(CC2CC2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588897563 984511665 /nfs/dbraw/zinc/51/16/65/984511665.db2.gz LMMIDUDRZQBITD-CQSZACIVSA-N -1 0 332.448 2.744 20 30 EFEDRM C=CCn1c(CC)nnc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588898385 984518197 /nfs/dbraw/zinc/51/81/97/984518197.db2.gz WRDLDJITMKNCKZ-UHFFFAOYSA-N -1 0 347.444 2.565 20 30 EFEDRM C=CCn1c(COC2CCC2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588901370 984524314 /nfs/dbraw/zinc/52/43/14/984524314.db2.gz VJFZMRYBOURJRK-AWEZNQCLSA-N -1 0 348.447 2.614 20 30 EFEDRM C=CCn1c(N2CCc3ccc(C(=O)[O-])cc3C2)nnc1C(C)(C)F ZINC001588905086 984535462 /nfs/dbraw/zinc/53/54/62/984535462.db2.gz PEQJIEPSPJJHRB-UHFFFAOYSA-N -1 0 344.390 2.930 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccccc1F ZINC001588907583 984539541 /nfs/dbraw/zinc/53/95/41/984539541.db2.gz PFXKCYSGWSGQMG-UHFFFAOYSA-N -1 0 349.387 2.796 20 30 EFEDRM C=CCn1c(SCc2oncc2C(=O)[O-])nnc1-c1ccccn1 ZINC001588907586 984539556 /nfs/dbraw/zinc/53/95/56/984539556.db2.gz PIASVIDSISMAAQ-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588914244 984557436 /nfs/dbraw/zinc/55/74/36/984557436.db2.gz RJXBKYPBBQZBCY-CABCVRRESA-N -1 0 332.400 2.904 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588914439 984558382 /nfs/dbraw/zinc/55/83/82/984558382.db2.gz WKMIJPJTNQKLMP-OWCLPIDISA-N -1 0 346.427 2.871 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001588916222 984558835 /nfs/dbraw/zinc/55/88/35/984558835.db2.gz ARORKGPYFDXDPK-SKDRFNHKSA-N -1 0 340.173 2.677 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001588916232 984558957 /nfs/dbraw/zinc/55/89/57/984558957.db2.gz BEHVLRHMHPDWOV-FYHWNKSOSA-N -1 0 329.396 2.571 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588916341 984560065 /nfs/dbraw/zinc/56/00/65/984560065.db2.gz HAGXBGCBMPVNRV-DOMZBBRYSA-N -1 0 329.352 2.681 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588917913 984568174 /nfs/dbraw/zinc/56/81/74/984568174.db2.gz IWQOLCUATSDUGL-UFBFGSQYSA-N -1 0 342.754 2.890 20 30 EFEDRM CC#CCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588927418 984598478 /nfs/dbraw/zinc/59/84/78/984598478.db2.gz XDQGZZSBSNTBPL-UHFFFAOYSA-N -1 0 326.299 2.564 20 30 EFEDRM CC#CCN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588931303 984601900 /nfs/dbraw/zinc/60/19/00/984601900.db2.gz PNBIPPJESXFFEF-UHFFFAOYSA-N -1 0 339.189 2.943 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001599887320 984652104 /nfs/dbraw/zinc/65/21/04/984652104.db2.gz VRNSQTBYQAFKPO-LLVKDONJSA-N -1 0 344.317 2.952 20 30 EFEDRM C/C(=C\CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588977866 984836100 /nfs/dbraw/zinc/83/61/00/984836100.db2.gz LKUJLRJYWDQOSU-XBXARRHUSA-N -1 0 327.262 2.729 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)CSc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC001599907543 984941996 /nfs/dbraw/zinc/94/19/96/984941996.db2.gz WZEVWFPDEPTNFM-QASKLWRZSA-N -1 0 332.425 2.800 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589016339 984994529 /nfs/dbraw/zinc/99/45/29/984994529.db2.gz HYSYPWLMTRSLGQ-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CC(=NNc1ccnn1C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017648 985004747 /nfs/dbraw/zinc/00/47/47/985004747.db2.gz XETVBXOPEDFJJA-UHFFFAOYSA-N -1 0 329.385 2.873 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cccc(C)c1F ZINC001589024634 985038260 /nfs/dbraw/zinc/03/82/60/985038260.db2.gz UHFURLRTJUMWRW-HNNXBMFYSA-N -1 0 346.358 2.538 20 30 EFEDRM C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599915037 985042983 /nfs/dbraw/zinc/04/29/83/985042983.db2.gz NJNVWWJNXVZDQU-LIRRHRJNSA-N -1 0 340.423 2.939 20 30 EFEDRM Cc1[nH]c(C(=O)COC(=O)C2(C#N)CCCCC2)c(C)c1C(=O)[O-] ZINC001599947943 985560309 /nfs/dbraw/zinc/56/03/09/985560309.db2.gz VJNHEQUPPIEJJP-UHFFFAOYSA-N -1 0 332.356 2.530 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1c(Cl)cc(F)cc1C#N ZINC001599962010 985802609 /nfs/dbraw/zinc/80/26/09/985802609.db2.gz YKSYKYZLDVQBGT-UHFFFAOYSA-N -1 0 336.706 2.947 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589273369 985972920 /nfs/dbraw/zinc/97/29/20/985972920.db2.gz BMQMVNMIVVVDBE-FQEVSTJZSA-N -1 0 334.375 2.994 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599973158 986042532 /nfs/dbraw/zinc/04/25/32/986042532.db2.gz KNSJIPZXEAUWGG-LBPRGKRZSA-N -1 0 341.392 2.651 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001599973487 986048484 /nfs/dbraw/zinc/04/84/84/986048484.db2.gz VRQXEYPORZBWJK-OAHLLOKOSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001599975032 986075686 /nfs/dbraw/zinc/07/56/86/986075686.db2.gz PRMRQMUSTZXEHG-UHFFFAOYSA-N -1 0 327.344 2.527 20 30 EFEDRM CCOCc1nc(C)cc(N=NCc2cc(C(=O)[O-])c(CC)o2)n1 ZINC001596952403 986122551 /nfs/dbraw/zinc/12/25/51/986122551.db2.gz NTKPGDBRBAMNAL-UHFFFAOYSA-N -1 0 332.360 2.621 20 30 EFEDRM C[C@@H](C#N)N(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC001589331415 986184894 /nfs/dbraw/zinc/18/48/94/986184894.db2.gz DHUHRCAJEHHKHL-QMMMGPOBSA-N -1 0 337.173 2.664 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001589335066 986207209 /nfs/dbraw/zinc/20/72/09/986207209.db2.gz MTQSRSGWAQKYNS-JKDFXYPNSA-N -1 0 331.372 2.552 20 30 EFEDRM CCOc1cc(C(=O)N(CCC#N)CC(C)C)ccc1OCC(=O)[O-] ZINC001596994583 986291543 /nfs/dbraw/zinc/29/15/43/986291543.db2.gz QMSUWCREZQWTTO-UHFFFAOYSA-N -1 0 348.399 2.561 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(C#N)c1 ZINC001597020713 986404735 /nfs/dbraw/zinc/40/47/35/986404735.db2.gz OADVWYGXZRJRMC-UHFFFAOYSA-N -1 0 339.351 2.977 20 30 EFEDRM CCOc1cc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc1OCC(=O)[O-] ZINC001597029146 986442032 /nfs/dbraw/zinc/44/20/32/986442032.db2.gz YJIYPBMGRPVJOT-AWEZNQCLSA-N -1 0 335.356 2.644 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001597055650 986532684 /nfs/dbraw/zinc/53/26/84/986532684.db2.gz DJUPRPJTFCVULT-DGCLKSJQSA-N -1 0 331.372 2.531 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001597056030 986539633 /nfs/dbraw/zinc/53/96/33/986539633.db2.gz PAORLXHKQQFHFL-UGSOOPFHSA-N -1 0 343.383 2.676 20 30 EFEDRM C[C@H]1Cc2cccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2O1 ZINC001594619693 986652489 /nfs/dbraw/zinc/65/24/89/986652489.db2.gz HNKDFYGRFCUWPB-APPDUMDISA-N -1 0 337.331 2.864 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)CCCCOc1cccc(C#N)c1)C1CCC1 ZINC001589472544 986967398 /nfs/dbraw/zinc/96/73/98/986967398.db2.gz QUNGFMQMCOHVQC-AWEZNQCLSA-N -1 0 344.411 2.962 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)CSCc1ccc(C#N)cc1)C1CCC1 ZINC001589473152 986972037 /nfs/dbraw/zinc/97/20/37/986972037.db2.gz XKQLEOMXLCRZCV-GFCCVEGCSA-N -1 0 332.425 2.646 20 30 EFEDRM CCOc1nc(C)ccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001597193803 987081184 /nfs/dbraw/zinc/08/11/84/987081184.db2.gz PRPFFUHOOVPYEM-UHFFFAOYSA-N -1 0 340.335 2.716 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594722021 987207862 /nfs/dbraw/zinc/20/78/62/987207862.db2.gz HHZOMTRFALPNCW-SKDRFNHKSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NC[C@H](O)COc2ccccc2C#N)c1 ZINC001589532297 987212461 /nfs/dbraw/zinc/21/24/61/987212461.db2.gz PIORMVSFJRLXJP-GUYCJALGSA-N -1 0 340.379 2.598 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594722462 987212468 /nfs/dbraw/zinc/21/24/68/987212468.db2.gz PTCVQNMTNHGWBP-JOYOIKCWSA-N -1 0 344.289 2.767 20 30 EFEDRM CCC(C#N)(CC)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(C)C ZINC001594722732 987215637 /nfs/dbraw/zinc/21/56/37/987215637.db2.gz SOEVLBOIGMEZHC-ZIAGYGMSSA-N -1 0 347.463 2.672 20 30 EFEDRM CC(C)(C#N)C(=O)OCc1cc(Br)ccc1C(=O)[O-] ZINC001589553981 987295718 /nfs/dbraw/zinc/29/57/18/987295718.db2.gz RCKHKAMYMOTUDR-UHFFFAOYSA-N -1 0 326.146 2.740 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)cc1 ZINC001589557731 987307850 /nfs/dbraw/zinc/30/78/50/987307850.db2.gz GLIDFNRJBIHHOD-UHFFFAOYSA-N -1 0 344.396 2.609 20 30 EFEDRM CC(C)(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001589563816 987326552 /nfs/dbraw/zinc/32/65/52/987326552.db2.gz NBXZZIDJIHRTBY-OXQOHEQNSA-N -1 0 340.423 2.939 20 30 EFEDRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])s1)c1cc(F)cc(C#N)c1 ZINC001589582685 987364548 /nfs/dbraw/zinc/36/45/48/987364548.db2.gz JSZOFURUDROAML-UHFFFAOYSA-N -1 0 333.344 2.768 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1ccccc1 ZINC001589599423 987422797 /nfs/dbraw/zinc/42/27/97/987422797.db2.gz WMWVGMQDUUJAIK-MRXNPFEDSA-N -1 0 338.363 2.846 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001589606071 987452419 /nfs/dbraw/zinc/45/24/19/987452419.db2.gz XHAUAWBXTZGXSN-MRXNPFEDSA-N -1 0 340.423 2.939 20 30 EFEDRM CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccccc1 ZINC001597351215 987494127 /nfs/dbraw/zinc/49/41/27/987494127.db2.gz URQHMPAXULUCSV-HNNXBMFYSA-N -1 0 344.392 2.686 20 30 EFEDRM CCc1c(C)sc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c1C#N ZINC001597416776 987721542 /nfs/dbraw/zinc/72/15/42/987721542.db2.gz UUXQEDYSHPXOAZ-WDEREUQCSA-N -1 0 336.413 2.699 20 30 EFEDRM CC(C)(C)C#CCOC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589684570 987722800 /nfs/dbraw/zinc/72/28/00/987722800.db2.gz JULVIHMAGIWZHT-UHFFFAOYSA-N -1 0 326.352 2.777 20 30 EFEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc2ccccc2n1CC#N ZINC001589705127 987818784 /nfs/dbraw/zinc/81/87/84/987818784.db2.gz XFKDQAGKQDLVEN-OAHLLOKOSA-N -1 0 327.384 2.784 20 30 EFEDRM CCc1cc(Cl)cnc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597478176 987957707 /nfs/dbraw/zinc/95/77/07/987957707.db2.gz FESLDCXHKHOIQH-UHFFFAOYSA-N -1 0 336.779 2.520 20 30 EFEDRM CC(C)(C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC001589745211 988034732 /nfs/dbraw/zinc/03/47/32/988034732.db2.gz BLEFQYIWRDBLTI-AWEZNQCLSA-N -1 0 334.441 2.797 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001597494735 988038432 /nfs/dbraw/zinc/03/84/32/988038432.db2.gz IAPWSCMLRXPHFW-UHFFFAOYSA-N -1 0 333.387 2.884 20 30 EFEDRM CCc1ccc(C#CC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc1 ZINC001597495576 988044043 /nfs/dbraw/zinc/04/40/43/988044043.db2.gz XFDIJLWXRJQSGH-UHFFFAOYSA-N -1 0 347.374 2.674 20 30 EFEDRM CC(C)(C)C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589762059 988096196 /nfs/dbraw/zinc/09/61/96/988096196.db2.gz WMGREWJGJXTRSX-HNNXBMFYSA-N -1 0 341.367 2.790 20 30 EFEDRM CSCC[C@@H](OC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001599798711 988139590 /nfs/dbraw/zinc/13/95/90/988139590.db2.gz UTUZJRYVAIOWGZ-CQSZACIVSA-N -1 0 332.381 2.528 20 30 EFEDRM CSCc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001599803363 988213566 /nfs/dbraw/zinc/21/35/66/988213566.db2.gz WGORDEZPVSPRNT-UHFFFAOYSA-N -1 0 333.413 2.772 20 30 EFEDRM CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(C(=O)[O-])cc2)nc1 ZINC001589839379 988324800 /nfs/dbraw/zinc/32/48/00/988324800.db2.gz BKSSWFHGXVDDJQ-UHFFFAOYSA-N -1 0 342.399 2.827 20 30 EFEDRM CSc1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001599811865 988350897 /nfs/dbraw/zinc/35/08/97/988350897.db2.gz DBBJABIEGQAILU-UHFFFAOYSA-N -1 0 332.425 2.558 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)cc1C#N ZINC001599813039 988370937 /nfs/dbraw/zinc/37/09/37/988370937.db2.gz JDWBICMPLXEUAP-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM CSc1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1C#N ZINC001599813520 988380098 /nfs/dbraw/zinc/38/00/98/988380098.db2.gz WTAIUBXPAILMEQ-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM CSc1ccccc1[C@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599825986 988598892 /nfs/dbraw/zinc/59/88/92/988598892.db2.gz CMIAMEIXCCMQSK-LBPRGKRZSA-N -1 0 347.440 2.869 20 30 EFEDRM CCc1nc(C#N)cc(N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC001597644600 988654091 /nfs/dbraw/zinc/65/40/91/988654091.db2.gz CXLSLFRTKWQGEB-UKRRQHHQSA-N -1 0 328.416 2.770 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001599832696 988698003 /nfs/dbraw/zinc/69/80/03/988698003.db2.gz MSBMKNJELISXQR-NSHDSACASA-N -1 0 340.339 2.730 20 30 EFEDRM C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@H]1CC(=O)[O-] ZINC001599852722 989039099 /nfs/dbraw/zinc/03/90/99/989039099.db2.gz VSSSVSGHFPRQIE-GDBMZVCRSA-N -1 0 340.423 2.939 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001597772526 989240486 /nfs/dbraw/zinc/24/04/86/989240486.db2.gz VOUGCGRGPDYYHH-UHFFFAOYSA-N -1 0 342.351 2.835 20 30 EFEDRM CCc1oc(C=NNc2ccc(CC(=O)[O-])cc2)cc1C(=O)OC ZINC001597792599 989332960 /nfs/dbraw/zinc/33/29/60/989332960.db2.gz ANCPBKBJHNEETQ-UHFFFAOYSA-N -1 0 330.340 2.702 20 30 EFEDRM CCc1oc(CN2CC(Oc3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597795415 989345411 /nfs/dbraw/zinc/34/54/11/989345411.db2.gz AAFZCJRKPLUVQV-UHFFFAOYSA-N -1 0 326.352 2.675 20 30 EFEDRM CCn1c(CCCCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001597849189 989576038 /nfs/dbraw/zinc/57/60/38/989576038.db2.gz CITGUMAZDUGGTI-CQSZACIVSA-N -1 0 333.436 2.616 20 30 EFEDRM CC(C)(C)c1cc(NC(=O)CCC(=O)[O-])n(-c2ccc(C#N)cc2)n1 ZINC001590463984 990039809 /nfs/dbraw/zinc/03/98/09/990039809.db2.gz SRZTVMHVLJIFDA-UHFFFAOYSA-N -1 0 340.383 2.845 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC001590551138 990193076 /nfs/dbraw/zinc/19/30/76/990193076.db2.gz YOXOKPGAVJCTKJ-AWEZNQCLSA-N -1 0 339.351 2.628 20 30 EFEDRM CN(C(=O)CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC001598028880 990244002 /nfs/dbraw/zinc/24/40/02/990244002.db2.gz OAJURVLLRWNALE-UHFFFAOYSA-N -1 0 348.402 2.817 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001590656064 990351384 /nfs/dbraw/zinc/35/13/84/990351384.db2.gz GPFZZDDQLHTKIX-UHFFFAOYSA-N -1 0 343.387 2.572 20 30 EFEDRM CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1C(=O)[O-] ZINC001598093821 990442938 /nfs/dbraw/zinc/44/29/38/990442938.db2.gz MLLOBKSYTUBQAQ-UHFFFAOYSA-N -1 0 346.346 2.719 20 30 EFEDRM CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598096129 990449420 /nfs/dbraw/zinc/44/94/20/990449420.db2.gz HIUMMBKPWLZNAL-OKILXGFUSA-N -1 0 339.395 2.880 20 30 EFEDRM CN(C)C(=O)c1cccc(CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001598157379 990651993 /nfs/dbraw/zinc/65/19/93/990651993.db2.gz XNRVGOMVNICZIR-UHFFFAOYSA-N -1 0 326.352 2.637 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590821802 990658644 /nfs/dbraw/zinc/65/86/44/990658644.db2.gz BNTHDFYDEVBPKO-UHFFFAOYSA-N -1 0 336.391 2.936 20 30 EFEDRM CN(C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1c(F)cccc1F ZINC001598175676 990724423 /nfs/dbraw/zinc/72/44/23/990724423.db2.gz DRCISSXOSLDOJP-HNNXBMFYSA-N -1 0 346.337 2.644 20 30 EFEDRM CC(C)(NC(=O)Nc1ccc(C#N)cc1Cl)c1nocc1C(=O)[O-] ZINC001590854761 990736206 /nfs/dbraw/zinc/73/62/06/990736206.db2.gz HFWZLKORYDYLFQ-UHFFFAOYSA-N -1 0 348.746 2.955 20 30 EFEDRM CC(C)(c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1)C(F)(F)F ZINC001590907148 990872498 /nfs/dbraw/zinc/87/24/98/990872498.db2.gz NWFNBJJDEKRLSO-UHFFFAOYSA-N -1 0 328.290 2.577 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN([C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001590954600 991024366 /nfs/dbraw/zinc/02/43/66/991024366.db2.gz ZEZYWEXHUHOSCW-HZPDHXFCSA-N -1 0 335.835 2.631 20 30 EFEDRM COc1ccccc1-c1nc(CN(CC#N)CCC(=O)[O-])cs1 ZINC001599695282 991140343 /nfs/dbraw/zinc/14/03/43/991140343.db2.gz OQCINFPHTVAJHE-UHFFFAOYSA-N -1 0 331.397 2.619 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001598288568 991197025 /nfs/dbraw/zinc/19/70/25/991197025.db2.gz XDKUPOOJIPAAJI-LJQANCHMSA-N -1 0 343.427 2.778 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001598288567 991197232 /nfs/dbraw/zinc/19/72/32/991197232.db2.gz XDKUPOOJIPAAJI-IBGZPJMESA-N -1 0 343.427 2.778 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1(C#N)CCCC1 ZINC001598299637 991238640 /nfs/dbraw/zinc/23/86/40/991238640.db2.gz WLGFCEWRAXXCEL-UHFFFAOYSA-N -1 0 330.388 2.656 20 30 EFEDRM CN(C)c1ccc(CN(CC#N)CCC(=O)[O-])c(C(F)(F)F)c1 ZINC001598317346 991303059 /nfs/dbraw/zinc/30/30/59/991303059.db2.gz FFAOPHHOCANCLI-UHFFFAOYSA-N -1 0 329.322 2.572 20 30 EFEDRM COc1ccccc1C[C@H](CNc1nccc(C)c1C#N)C(=O)[O-] ZINC001599710151 991357743 /nfs/dbraw/zinc/35/77/43/991357743.db2.gz JXEAMLSWRZHNSM-CQSZACIVSA-N -1 0 325.368 2.626 20 30 EFEDRM CN(C)c1ccc(OC(=O)[C@@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC001598329472 991362374 /nfs/dbraw/zinc/36/23/74/991362374.db2.gz RSEIUEBAPJVMGO-SFHVURJKSA-N -1 0 328.368 2.830 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591052163 991456488 /nfs/dbraw/zinc/45/64/88/991456488.db2.gz NFKYNSPDLWRUNS-APWZRJJASA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)C[C@@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001591188143 991992277 /nfs/dbraw/zinc/99/22/77/991992277.db2.gz JDKRHZWOZYBRLO-CZUORRHYSA-N -1 0 348.374 2.566 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1ccccc1CC#N ZINC001591309367 992266446 /nfs/dbraw/zinc/26/64/46/992266446.db2.gz TYKBEFWJDQZFOR-UHFFFAOYSA-N -1 0 330.428 2.891 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001591343213 992323941 /nfs/dbraw/zinc/32/39/41/992323941.db2.gz SSSFZTGMNQMIEQ-QGZVFWFLSA-N -1 0 341.411 2.899 20 30 EFEDRM CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001591514332 992675025 /nfs/dbraw/zinc/67/50/25/992675025.db2.gz UPBDKOJUCSDQCO-OAHLLOKOSA-N -1 0 347.463 2.862 20 30 EFEDRM CC(C)Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001591516241 992681047 /nfs/dbraw/zinc/68/10/47/992681047.db2.gz NHVYRGHIUMFTBM-KRWDZBQOSA-N -1 0 345.447 2.570 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(F)ccc1C#N ZINC001598524155 992697616 /nfs/dbraw/zinc/69/76/16/992697616.db2.gz ZRRHNUSOPCWOEZ-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM CN(Cc1cn2ccccc2c1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001598532715 992803468 /nfs/dbraw/zinc/80/34/68/992803468.db2.gz DKKXMWHYTYHUHQ-UHFFFAOYSA-N -1 0 335.363 2.911 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1ocnc1C(=O)[O-] ZINC001591596750 992825490 /nfs/dbraw/zinc/82/54/90/992825490.db2.gz OMEQKAGTFLEYGY-UHFFFAOYSA-N -1 0 341.367 2.614 20 30 EFEDRM CN(c1ccccc1)C1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001598544978 992935000 /nfs/dbraw/zinc/93/50/00/992935000.db2.gz HREJNERKDZGXBK-UHFFFAOYSA-N -1 0 336.395 2.757 20 30 EFEDRM C[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(C#N)cc1 ZINC001593070107 993617816 /nfs/dbraw/zinc/61/78/16/993617816.db2.gz OHAYFXRJNIBAJF-DWQUBVKVSA-N -1 0 327.384 2.658 20 30 EFEDRM COc1ccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1C#N ZINC001599594359 993730394 /nfs/dbraw/zinc/73/03/94/993730394.db2.gz PDLVUJBSMDYAEU-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM COc1ccc(O)c(/C=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001599598744 993784703 /nfs/dbraw/zinc/78/47/03/993784703.db2.gz RZNRILZNHXFZSJ-RYFGYPJOSA-N -1 0 338.363 2.997 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593117931 993821068 /nfs/dbraw/zinc/82/10/68/993821068.db2.gz BADLYXFZTSIXIP-SECBINFHSA-N -1 0 346.368 2.626 20 30 EFEDRM COc1ccc2c(c1)C1(CC1)CN(c1ccc(C(=O)[O-])nc1C#N)C2 ZINC001599624347 994127437 /nfs/dbraw/zinc/12/74/37/994127437.db2.gz CGEDQICGJCSXMR-UHFFFAOYSA-N -1 0 335.363 2.712 20 30 EFEDRM COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N2 ZINC001599624830 994133459 /nfs/dbraw/zinc/13/34/59/994133459.db2.gz ABNJZNJTXHTONW-UHFFFAOYSA-N -1 0 345.742 2.815 20 30 EFEDRM COc1ccc2c(c1)OCCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001599631172 994220072 /nfs/dbraw/zinc/22/00/72/994220072.db2.gz YGMGNAUBZGIOHP-SFHVURJKSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C#Cc2ccccc2)c1 ZINC001599650504 994491144 /nfs/dbraw/zinc/49/11/44/994491144.db2.gz YDOCZSKYAQTGOA-FQEVSTJZSA-N -1 0 337.375 2.553 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2csc(C#N)c2)c1 ZINC001599653381 994539556 /nfs/dbraw/zinc/53/95/56/994539556.db2.gz UVDDGXWTCBJKOI-QGZVFWFLSA-N -1 0 344.392 2.748 20 30 EFEDRM C[C@H](Nc1cc(C#N)nc(C2CC2)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593359283 995013849 /nfs/dbraw/zinc/01/38/49/995013849.db2.gz ALBKJYPJEZSGNP-LRDDRELGSA-N -1 0 336.395 2.970 20 30 EFEDRM COc1cccc(SC)c1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599683234 995015964 /nfs/dbraw/zinc/01/59/64/995015964.db2.gz JDBUEKMJBLMWSM-UHFFFAOYSA-N -1 0 349.412 2.639 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC001593610520 995802001 /nfs/dbraw/zinc/80/20/01/995802001.db2.gz BALPWJKGTVYGEP-CYBMUJFWSA-N -1 0 332.400 2.915 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC001593611874 995811466 /nfs/dbraw/zinc/81/14/66/995811466.db2.gz WWOXYBZOAXJBNZ-HEHGZKQESA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001593612198 995813843 /nfs/dbraw/zinc/81/38/43/995813843.db2.gz MSYBAHOACMKXTI-XJKSGUPXSA-N -1 0 344.411 2.723 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1F)C(=O)[O-] ZINC001593634628 995926847 /nfs/dbraw/zinc/92/68/47/995926847.db2.gz WKHWAPAEMTUGAA-SNVBAGLBSA-N -1 0 328.299 2.802 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)NCC#C[C@@H]1CCCCO1)C(=O)[O-] ZINC001593668871 996067843 /nfs/dbraw/zinc/06/78/43/996067843.db2.gz LFCWSHRAWOMXSP-KBPBESRZSA-N -1 0 347.436 2.554 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1cc(C#N)ccn1)C(=O)[O-] ZINC001593672305 996075294 /nfs/dbraw/zinc/07/52/94/996075294.db2.gz PDCJFGXSTHIGGC-JTQLQIEISA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C#N)(c2ccccn2)CC1 ZINC001593686024 996120861 /nfs/dbraw/zinc/12/08/61/996120861.db2.gz LRORBWQVWQHEEF-ZDUSSCGKSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001593697889 996159040 /nfs/dbraw/zinc/15/90/40/996159040.db2.gz ANINSTOFHBLMNQ-GMIDFTQGSA-N -1 0 327.384 2.514 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001593699248 996169255 /nfs/dbraw/zinc/16/92/55/996169255.db2.gz ROSITTDSQIVOKX-UHOFOFEASA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@@]1(C#N)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001593742582 996361177 /nfs/dbraw/zinc/36/11/77/996361177.db2.gz BJEYBZNEGZNLFF-MRXNPFEDSA-N -1 0 345.380 2.746 20 30 EFEDRM C[C@]1(C#N)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC001593743470 996368492 /nfs/dbraw/zinc/36/84/92/996368492.db2.gz PXRYWSFLZBWKIE-SFHVURJKSA-N -1 0 326.352 2.759 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC001593770679 996460357 /nfs/dbraw/zinc/46/03/57/996460357.db2.gz FAVUETAUHZDAPE-MRXNPFEDSA-N -1 0 335.791 2.608 20 30 EFEDRM COC(=O)CCN(CC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598855070 996631753 /nfs/dbraw/zinc/63/17/53/996631753.db2.gz OGGROBBPDCMGKL-ZDUSSCGKSA-N -1 0 345.182 2.508 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001593863031 996661754 /nfs/dbraw/zinc/66/17/54/996661754.db2.gz AULFYGLOUPRWSI-AWEZNQCLSA-N -1 0 337.173 2.569 20 30 EFEDRM CC1(C)CCc2sc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)nc21 ZINC001593924381 996848414 /nfs/dbraw/zinc/84/84/14/996848414.db2.gz GQAXRWLESKFJGC-UHFFFAOYSA-N -1 0 348.428 2.589 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC001599490250 996926531 /nfs/dbraw/zinc/92/65/31/996926531.db2.gz TYMDRUOAPGQAFB-UHFFFAOYSA-N -1 0 339.351 2.583 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1cscc1C#N)CC2 ZINC001599497936 997052642 /nfs/dbraw/zinc/05/26/42/997052642.db2.gz LVWOEAFBLYDLMY-UHFFFAOYSA-N -1 0 342.376 2.525 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1CSc1nc(C)nc(C)c1C#N ZINC001599499529 997089225 /nfs/dbraw/zinc/08/92/25/997089225.db2.gz IEUQFVMAEDGDHX-UHFFFAOYSA-N -1 0 329.381 2.964 20 30 EFEDRM COc1cc(C)cc2c1OC/C(=C\c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001599394290 997097115 /nfs/dbraw/zinc/09/71/15/997097115.db2.gz NFLQJGVTGHBNRR-WUXMJOGZSA-N -1 0 327.336 2.699 20 30 EFEDRM COCc1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599296754 997157117 /nfs/dbraw/zinc/15/71/17/997157117.db2.gz DGQSPERDQNOLAG-ZDUSSCGKSA-N -1 0 331.349 2.749 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1(C#N)CCSCC1 ZINC001599397973 997163277 /nfs/dbraw/zinc/16/32/77/997163277.db2.gz GJCIJAWHPRPYLV-HYXAFXHYSA-N -1 0 347.392 2.735 20 30 EFEDRM COc1cc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)ccc1C#N ZINC001599399580 997189959 /nfs/dbraw/zinc/18/99/59/997189959.db2.gz UQTFIFXVDYDIRR-QCDXTXTGSA-N -1 0 338.294 2.897 20 30 EFEDRM COc1cc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1C ZINC001599402197 997233889 /nfs/dbraw/zinc/23/38/89/997233889.db2.gz XAOFTYXSEVJXFG-UHFFFAOYSA-N -1 0 339.347 2.859 20 30 EFEDRM COCc1nc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)sc1C(=O)[O-] ZINC001599301523 997242067 /nfs/dbraw/zinc/24/20/67/997242067.db2.gz KZQDDOQRDMWISB-UDUZUONDSA-N -1 0 349.412 2.646 20 30 EFEDRM COc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001599409989 997403572 /nfs/dbraw/zinc/40/35/72/997403572.db2.gz JQJYMARWBQYFHQ-UHFFFAOYSA-N -1 0 338.363 2.514 20 30 EFEDRM COc1ccc([C@@H](NC(=O)CC2(C#N)CCCCC2)C(=O)[O-])cc1O ZINC001599517357 997414985 /nfs/dbraw/zinc/41/49/85/997414985.db2.gz ABGWYJPDVFQDKC-MRXNPFEDSA-N -1 0 346.383 2.507 20 30 EFEDRM COc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)ccc1C(=O)[O-] ZINC001599414225 997476403 /nfs/dbraw/zinc/47/64/03/997476403.db2.gz KHTDSDDZWYFTEE-UHFFFAOYSA-N -1 0 344.754 2.848 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2cccc(C#N)c2)C(=O)[O-])cc1Cl ZINC001599523271 997516918 /nfs/dbraw/zinc/51/69/18/997516918.db2.gz CWBMFJIJNUYNCE-OAHLLOKOSA-N -1 0 344.754 2.776 20 30 EFEDRM CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599114154 997623256 /nfs/dbraw/zinc/62/32/56/997623256.db2.gz XILQUPZECUNRJF-YSVLISHTSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1ccc([C@@H](NCc2cccc(F)c2C#N)C(=O)[O-])c(OC)c1 ZINC001599530753 997646720 /nfs/dbraw/zinc/64/67/20/997646720.db2.gz HVIRHIYCIVQELQ-QGZVFWFLSA-N -1 0 344.342 2.630 20 30 EFEDRM COC(=O)c1cc(CN2Cc3cccc(C#N)c3C2)cc(C(=O)[O-])c1 ZINC001598930484 997741707 /nfs/dbraw/zinc/74/17/07/997741707.db2.gz QFXYDLDDSYBGLY-UHFFFAOYSA-N -1 0 336.347 2.559 20 30 EFEDRM COC(=O)c1cc(CN2CCc3c2cccc3C#N)cc(C(=O)[O-])c1 ZINC001598930795 997749997 /nfs/dbraw/zinc/74/99/97/997749997.db2.gz WKZVMSRLELAJBM-UHFFFAOYSA-N -1 0 336.347 2.606 20 30 EFEDRM CO[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001599123084 997776974 /nfs/dbraw/zinc/77/69/74/997776974.db2.gz PVITXIJNUSONRH-CABCVRRESA-N -1 0 341.329 2.621 20 30 EFEDRM C[C@@]1(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CCCC[C@H]1C(=O)[O-] ZINC001594055447 997783430 /nfs/dbraw/zinc/78/34/30/997783430.db2.gz BQJNXPADYCSHQA-KBXCAEBGSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1cc(NC(=O)c2[nH]c3ccccc3c2C#N)ccc1C(=O)[O-] ZINC001599440982 997929063 /nfs/dbraw/zinc/92/90/63/997929063.db2.gz RPWNPJCSVUISDF-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM COC(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1C(=O)[O-] ZINC001598941764 997986455 /nfs/dbraw/zinc/98/64/55/997986455.db2.gz BBJZBJJZMHQPPB-SFHVURJKSA-N -1 0 342.351 2.584 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599347385 998032856 /nfs/dbraw/zinc/03/28/56/998032856.db2.gz FAZSZLXGUHHWAC-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001599347780 998038608 /nfs/dbraw/zinc/03/86/08/998038608.db2.gz LGIWALVSQJPMII-AWEZNQCLSA-N -1 0 345.399 2.969 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599347958 998042333 /nfs/dbraw/zinc/04/23/33/998042333.db2.gz MZABDULWBVMCDB-UHFFFAOYSA-N -1 0 328.324 2.567 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599348170 998046328 /nfs/dbraw/zinc/04/63/28/998046328.db2.gz UAVPGVOZSNGALD-UHFFFAOYSA-N -1 0 328.368 2.931 20 30 EFEDRM COc1cc(OC)c(OC)cc1C=NNc1cccc(F)c1C(=O)[O-] ZINC001599448977 998058575 /nfs/dbraw/zinc/05/85/75/998058575.db2.gz PGJLDDJXRJXPFG-UHFFFAOYSA-N -1 0 348.330 2.996 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599348965 998060214 /nfs/dbraw/zinc/06/02/14/998060214.db2.gz FBYJTYGNVBEGAP-PXAZEXFGSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC001599349028 998061590 /nfs/dbraw/zinc/06/15/90/998061590.db2.gz GEYAFJGISXXDMW-UHFFFAOYSA-N -1 0 338.363 2.997 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC(C)C ZINC001594095168 998062063 /nfs/dbraw/zinc/06/20/63/998062063.db2.gz ATRHVBSAJGHICS-HNNXBMFYSA-N -1 0 331.347 2.778 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC(C)C ZINC001594095169 998062564 /nfs/dbraw/zinc/06/25/64/998062564.db2.gz ATRHVBSAJGHICS-OAHLLOKOSA-N -1 0 331.347 2.778 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC1CC1 ZINC001594095188 998062812 /nfs/dbraw/zinc/06/28/12/998062812.db2.gz CGXOSRFROGLNKR-OAHLLOKOSA-N -1 0 329.331 2.532 20 30 EFEDRM COC(=O)c1cc(NC(=O)c2sccc2CC#N)ccc1C(=O)[O-] ZINC001598947418 998082639 /nfs/dbraw/zinc/08/26/39/998082639.db2.gz MBAFSXLQKWDVLD-UHFFFAOYSA-N -1 0 344.348 2.551 20 30 EFEDRM COc1cc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)ccc1C#N ZINC001599352108 998112975 /nfs/dbraw/zinc/11/29/75/998112975.db2.gz NBMHQNJCJSCFAT-UHFFFAOYSA-N -1 0 343.364 2.531 20 30 EFEDRM COC(=O)c1cc(Oc2ccc(C#N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001598951641 998163818 /nfs/dbraw/zinc/16/38/18/998163818.db2.gz LGEIAROXVZVJGY-UHFFFAOYSA-N -1 0 342.263 2.744 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)ccc1C#N ZINC001599355614 998174011 /nfs/dbraw/zinc/17/40/11/998174011.db2.gz CYKAHIVNDQCGMY-UHFFFAOYSA-N -1 0 328.299 2.965 20 30 EFEDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(C#N)cc2c1C ZINC001599149013 998262602 /nfs/dbraw/zinc/26/26/02/998262602.db2.gz LZBBLLMXSNPUDJ-KRWDZBQOSA-N -1 0 346.408 2.691 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(F)c(C#N)c2)c1OC ZINC001599362860 998289365 /nfs/dbraw/zinc/28/93/65/998289365.db2.gz WIRNLBCTEJYABW-UHFFFAOYSA-N -1 0 344.298 2.665 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1OC ZINC001599257540 998328983 /nfs/dbraw/zinc/32/89/83/998328983.db2.gz JVOSVNHAFKDQHC-GQCTYLIASA-N -1 0 346.335 2.908 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1OC ZINC001599257624 998330578 /nfs/dbraw/zinc/33/05/78/998330578.db2.gz OGCXGCLRHPJOAH-HWKANZROSA-N -1 0 346.335 2.908 20 30 EFEDRM COCCOc1ccc(Sc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599260227 998372591 /nfs/dbraw/zinc/37/25/91/998372591.db2.gz RPYIKVZXIXUIPE-UHFFFAOYSA-N -1 0 330.365 2.828 20 30 EFEDRM COc1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599575097 998429951 /nfs/dbraw/zinc/42/99/51/998429951.db2.gz SYVCETYEHIMWRU-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001599476445 998540401 /nfs/dbraw/zinc/54/04/01/998540401.db2.gz CFUFOVFLFKYYDM-AWEZNQCLSA-N -1 0 345.399 2.969 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001599476591 998542260 /nfs/dbraw/zinc/54/22/60/998542260.db2.gz FUCSGHNQAJZFGG-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599476969 998548113 /nfs/dbraw/zinc/54/81/13/998548113.db2.gz REPOHYQXSDSTBA-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1C ZINC001599274083 998584990 /nfs/dbraw/zinc/58/49/90/998584990.db2.gz JGSOFVLNBILWEL-TWGQIWQCSA-N -1 0 328.368 2.741 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2csc(C(=O)[O-])c2)c1C ZINC001599274489 998591168 /nfs/dbraw/zinc/59/11/68/998591168.db2.gz YOOUCTVUNPIEMM-SNAWJCMRSA-N -1 0 334.397 2.802 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001594161030 998597655 /nfs/dbraw/zinc/59/76/55/998597655.db2.gz BJCVJHJJHBXMQZ-KGLIPLIRSA-N -1 0 339.395 2.880 20 30 EFEDRM COC(=O)c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1C(=O)[O-] ZINC001598978343 998627848 /nfs/dbraw/zinc/62/78/48/998627848.db2.gz NNYBMYDXQCTUFO-SFHVURJKSA-N -1 0 342.351 2.584 20 30 EFEDRM COC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1OC ZINC001598984286 998686732 /nfs/dbraw/zinc/68/67/32/998686732.db2.gz KCHVTWXORGNNNU-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1cccc(COc2ccc(C(=O)[O-])cc2OC)c1C#N ZINC001598993537 998758339 /nfs/dbraw/zinc/75/83/39/998758339.db2.gz FSBFJJYCEOYVNG-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1cccc(CNc2ccc(F)c(C(=O)[O-])c2F)c1C#N ZINC001598994702 998768914 /nfs/dbraw/zinc/76/89/14/998768914.db2.gz USPCKLNHGRNXTA-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COC(=O)c1cnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001599009206 998883045 /nfs/dbraw/zinc/88/30/45/998883045.db2.gz HMQADKPMTHYKDF-UHFFFAOYSA-N -1 0 334.378 2.792 20 30 EFEDRM COC(=O)c1csc(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001599014054 998923735 /nfs/dbraw/zinc/92/37/35/998923735.db2.gz SNHROMHRLZNMQJ-UHFFFAOYSA-N -1 0 348.405 2.933 20 30 EFEDRM C[C@H]1CC[C@](NCc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594322066 999240045 /nfs/dbraw/zinc/24/00/45/999240045.db2.gz ZBDGHNFQLBOSGV-APPDUMDISA-N -1 0 327.409 2.982 20 30 EFEDRM C[C@@H]1CCCc2ncc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)n21 ZINC001594389503 999476052 /nfs/dbraw/zinc/47/60/52/999476052.db2.gz ZTOXHCZEUKWHOW-LLVKDONJSA-N -1 0 339.351 2.707 20 30 EFEDRM C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C(=O)[O-])C1 ZINC001594406834 999523962 /nfs/dbraw/zinc/52/39/62/999523962.db2.gz GQXIZRAHROJPRO-ABAIWWIYSA-N -1 0 339.351 2.539 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)O[C@H]1C(=O)[O-] ZINC001594443160 999630863 /nfs/dbraw/zinc/63/08/63/999630863.db2.gz ANSWYBKUDPZIFJ-LIMOIJHXSA-N -1 0 348.424 2.561 20 30 EFEDRM C[C@@H]1CCc2nc(NC(=O)c3ccoc3CC(=O)[O-])c(C#N)cc2C1 ZINC001594450550 999647830 /nfs/dbraw/zinc/64/78/30/999647830.db2.gz HRHFFUGEJXXRTJ-SNVBAGLBSA-N -1 0 339.351 2.550 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(C)c1 ZINC000092465850 1099868945 /nfs/dbraw/zinc/86/89/45/1099868945.db2.gz GXFLNQLEMKTBED-UHFFFAOYSA-N -1 0 327.178 2.862 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001573303702 1087741577 /nfs/dbraw/zinc/74/15/77/1087741577.db2.gz QUVXSTLHADGBDI-LBPRGKRZSA-N -1 0 326.377 2.599 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001574684570 1088051117 /nfs/dbraw/zinc/05/11/17/1088051117.db2.gz JEWYCUHOPBOXJO-UHFFFAOYSA-N -1 0 327.340 2.639 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCCC[C@H](C)C1 ZINC001646703729 1088118235 /nfs/dbraw/zinc/11/82/35/1088118235.db2.gz ZGRXKTQNNCLBHF-LBPRGKRZSA-N -1 0 326.404 2.564 20 30 EFEDRM CC1CC(C#N)(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)C1 ZINC001647436877 1089409356 /nfs/dbraw/zinc/40/93/56/1089409356.db2.gz URYMBFKNCYUGKD-YEQZRVCBSA-N -1 0 348.349 2.531 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCSC3(CCC3)CC2)cc1C#N ZINC001647640277 1089673322 /nfs/dbraw/zinc/67/33/22/1089673322.db2.gz MNCJHUXYNVFMOI-UHFFFAOYSA-N -1 0 349.481 2.883 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@](C)(CC)C1 ZINC001647700085 1089792918 /nfs/dbraw/zinc/79/29/18/1089792918.db2.gz JXOLKDATWUFGOQ-SFHVURJKSA-N -1 0 340.431 2.954 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C1CCCCC1 ZINC001647701697 1089796330 /nfs/dbraw/zinc/79/63/30/1089796330.db2.gz POSPLNMJELADTE-UHFFFAOYSA-N -1 0 326.404 2.706 20 30 EFEDRM CCOc1c(Cl)cccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000782301118 1092210213 /nfs/dbraw/zinc/21/02/13/1092210213.db2.gz JYWCGXDBWLEOHR-MVGZEHJDSA-N -1 0 334.755 2.967 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001649732690 1092632426 /nfs/dbraw/zinc/63/24/26/1092632426.db2.gz UXDQTFQMGCOSQV-RRFJBIMHSA-N -1 0 346.452 2.970 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2OC(C)C)ccc1C#N ZINC001649775177 1092668941 /nfs/dbraw/zinc/66/89/41/1092668941.db2.gz HRGGUMLIXNXART-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCC3(CC#N)CC3)n2)c1 ZINC001649879473 1092759581 /nfs/dbraw/zinc/75/95/81/1092759581.db2.gz UANVTXMSSZIRHO-UHFFFAOYSA-N -1 0 329.331 2.876 20 30 EFEDRM C=C(CC)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[nH]n2)c1 ZINC001588443282 1092946527 /nfs/dbraw/zinc/94/65/27/1092946527.db2.gz XKQNKJYXOFPEDZ-UHFFFAOYSA-N -1 0 327.266 2.670 20 30 EFEDRM C=C1CC(c2noc([C@@H](C#N)Cc3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC001588456025 1092947069 /nfs/dbraw/zinc/94/70/69/1092947069.db2.gz GIKQHLVPQVHXDD-CQSZACIVSA-N -1 0 333.355 2.533 20 30 EFEDRM C=C1CC(c2noc([C@H](C#N)Cc3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC001588456024 1092947776 /nfs/dbraw/zinc/94/77/76/1092947776.db2.gz GIKQHLVPQVHXDD-AWEZNQCLSA-N -1 0 333.355 2.533 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)n1 ZINC001588486680 1092949579 /nfs/dbraw/zinc/94/95/79/1092949579.db2.gz HZNKLELXAOBXCL-UHFFFAOYSA-N -1 0 334.811 2.637 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Br)c1 ZINC001588482176 1092950399 /nfs/dbraw/zinc/95/03/99/1092950399.db2.gz RSYLWFKMKYQRBO-UHFFFAOYSA-N -1 0 336.193 2.780 20 30 EFEDRM C=C[C@H](C(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588468007 1092950478 /nfs/dbraw/zinc/95/04/78/1092950478.db2.gz OVIVVGSKWPQDBX-AWEZNQCLSA-N -1 0 335.367 2.784 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[nH]n2)cc1OC ZINC001588486700 1092950782 /nfs/dbraw/zinc/95/07/82/1092950782.db2.gz IQUOOHIGLKZJIT-UHFFFAOYSA-N -1 0 329.404 2.598 20 30 EFEDRM C=C[C@H](OC(=O)c1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC001588525845 1092953206 /nfs/dbraw/zinc/95/32/06/1092953206.db2.gz LLQKOFPDUZFHET-HNNXBMFYSA-N -1 0 336.351 2.959 20 30 EFEDRM C=CCC1(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC001588556398 1092957997 /nfs/dbraw/zinc/95/79/97/1092957997.db2.gz KSPHOQQJYCYPKB-UHFFFAOYSA-N -1 0 327.388 2.803 20 30 EFEDRM C=CCCCNC(=O)N(CCC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588600787 1092966814 /nfs/dbraw/zinc/96/68/14/1092966814.db2.gz PWWHGRSQQFBQOP-UHFFFAOYSA-N -1 0 328.420 2.755 20 30 EFEDRM C=CCCCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC001588600733 1092966881 /nfs/dbraw/zinc/96/68/81/1092966881.db2.gz OALLUMQFGVBEPC-UHFFFAOYSA-N -1 0 338.318 2.556 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001588653542 1092973940 /nfs/dbraw/zinc/97/39/40/1092973940.db2.gz LFHZVARDISGVER-UHFFFAOYSA-N -1 0 343.387 2.896 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001588654806 1092974834 /nfs/dbraw/zinc/97/48/34/1092974834.db2.gz NYPAZJUKLGKIHC-KRWDZBQOSA-N -1 0 332.367 2.619 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)cc1OC ZINC001588653676 1092975659 /nfs/dbraw/zinc/97/56/59/1092975659.db2.gz TWERGBNNHPXXCN-UHFFFAOYSA-N -1 0 349.394 2.704 20 30 EFEDRM CC(=NN=c1ccc(-c2nnn[n-]2)c[nH]1)c1csc(C(C)C)n1 ZINC001588780886 1092991521 /nfs/dbraw/zinc/99/15/21/1092991521.db2.gz RWUFDJKDBUBXMG-UHFFFAOYSA-N -1 0 328.405 2.678 20 30 EFEDRM Cc1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c(C)s1 ZINC001588781066 1092993799 /nfs/dbraw/zinc/99/37/99/1092993799.db2.gz BFUBZWZTHJGZPU-UHFFFAOYSA-N -1 0 346.420 2.888 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc(-c3nn[nH]n3)c2)s1 ZINC001589231564 1093053481 /nfs/dbraw/zinc/05/34/81/1093053481.db2.gz AEFVHTUDDADHOL-VIFPVBQESA-N -1 0 342.384 2.704 20 30 EFEDRM CC(C)[C@@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CCO1 ZINC001589499063 1093095019 /nfs/dbraw/zinc/09/50/19/1093095019.db2.gz HLXKLZVDVJCADY-DOMZBBRYSA-N -1 0 326.404 2.601 20 30 EFEDRM CC[C@@H](C)CN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001650299942 1093125976 /nfs/dbraw/zinc/12/59/76/1093125976.db2.gz TZWSQAVOGINAHB-GFCCVEGCSA-N -1 0 328.420 2.810 20 30 EFEDRM CC(C)O[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001589737526 1093128908 /nfs/dbraw/zinc/12/89/08/1093128908.db2.gz MGTYYSLBLQSCII-LLVKDONJSA-N -1 0 347.423 2.970 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc3[nH]ccc3c2)o1 ZINC001589773626 1093143640 /nfs/dbraw/zinc/14/36/40/1093143640.db2.gz GNOJQFWRYVHXJR-UHFFFAOYSA-N -1 0 336.359 2.905 20 30 EFEDRM N#Cc1ccc(Cl)c(C[NH+]2CCC([N-]C(=O)C(F)(F)F)CC2)c1 ZINC001140603092 1093158302 /nfs/dbraw/zinc/15/83/02/1093158302.db2.gz ZYBQXLVCFJSNLL-UHFFFAOYSA-N -1 0 345.752 2.855 20 30 EFEDRM C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc2ccccc21 ZINC001589987106 1093212202 /nfs/dbraw/zinc/21/22/02/1093212202.db2.gz DWACKKLYBWLAMN-LLVKDONJSA-N -1 0 342.366 2.855 20 30 EFEDRM C[C@H](c1ccc(Cn2cnc(-c3nnn[n-]3)c2C#N)cc1)C(F)(F)F ZINC001590039988 1093234761 /nfs/dbraw/zinc/23/47/61/1093234761.db2.gz KGWGHBCOLKXDIG-SECBINFHSA-N -1 0 347.304 2.649 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@]2(C)CCCS2)o1 ZINC001590120532 1093274281 /nfs/dbraw/zinc/27/42/81/1093274281.db2.gz PTWMCHFDZPBSNW-CQSZACIVSA-N -1 0 335.437 2.836 20 30 EFEDRM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001590358914 1093389020 /nfs/dbraw/zinc/38/90/20/1093389020.db2.gz LCBZQRUEWJEJNP-UHFFFAOYSA-N -1 0 336.355 2.791 20 30 EFEDRM CCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)c1ccncc1 ZINC001590359021 1093391164 /nfs/dbraw/zinc/39/11/64/1093391164.db2.gz DQSAZDSEAMOUBO-UHFFFAOYSA-N -1 0 340.391 2.674 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cn1 ZINC000588579272 1093437543 /nfs/dbraw/zinc/43/75/43/1093437543.db2.gz PRXPOYFLOJVGEG-UTCJRWHESA-N -1 0 330.359 2.905 20 30 EFEDRM CCCCN(C)c1ccc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001590600529 1093507605 /nfs/dbraw/zinc/50/76/05/1093507605.db2.gz LWSCUTXBOUXTBO-UHFFFAOYSA-N -1 0 349.402 2.508 20 30 EFEDRM CCc1cnc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC001590900759 1093625519 /nfs/dbraw/zinc/62/55/19/1093625519.db2.gz YQYFFAKVHVJLQX-UHFFFAOYSA-N -1 0 346.420 2.518 20 30 EFEDRM CC(C)C[C@@H](NC(=O)CSc1cccc(C#N)c1Cl)C(=O)[O-] ZINC001591174064 1093677856 /nfs/dbraw/zinc/67/78/56/1093677856.db2.gz VJCSKUKVPGEGGR-LLVKDONJSA-N -1 0 340.832 2.919 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(F)cc2[O-])ccc1-c1nn[nH]n1 ZINC001591522940 1093751180 /nfs/dbraw/zinc/75/11/80/1093751180.db2.gz NLDCENSJVYWVJL-CLTKARDFSA-N -1 0 340.314 2.616 20 30 EFEDRM Cc1cc(C)n(N=Cc2cccc(C(C)C)c2)c(=O)c1-c1nnn[n-]1 ZINC001591957277 1093933331 /nfs/dbraw/zinc/93/33/31/1093933331.db2.gz SFXHHJZUHORRNK-UHFFFAOYSA-N -1 0 336.399 2.651 20 30 EFEDRM Cc1cc(NCCc2ccc(-c3nn[nH]n3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001592051627 1093966882 /nfs/dbraw/zinc/96/68/82/1093966882.db2.gz YWPNITUVFPFWCV-UHFFFAOYSA-N -1 0 349.354 2.610 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001592113273 1093984642 /nfs/dbraw/zinc/98/46/42/1093984642.db2.gz LUDSMCLSLUTNML-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1ccc(CNc2nc(-c3nnn[n-]3)c(Cl)s2)cc1C#N ZINC001592168020 1094012909 /nfs/dbraw/zinc/01/29/09/1094012909.db2.gz ZYVLTSOIIPFNFC-UHFFFAOYSA-N -1 0 331.792 2.769 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[nH]n3)c2)cc1[O-] ZINC001592691043 1094178667 /nfs/dbraw/zinc/17/86/67/1094178667.db2.gz BZVUSCVXSKLGQI-UHFFFAOYSA-N -1 0 346.350 2.574 20 30 EFEDRM N#Cc1ccc(CNc2nc(-c3nnn[n-]3)c(Cl)s2)cc1F ZINC001592694161 1094179626 /nfs/dbraw/zinc/17/96/26/1094179626.db2.gz NORVYNTUJHRENW-UHFFFAOYSA-N -1 0 335.755 2.599 20 30 EFEDRM N#Cc1ncc(N[C@@H](c2ccccc2)C2CCCC2)nc1-c1nnn[n-]1 ZINC001592710635 1094182616 /nfs/dbraw/zinc/18/26/16/1094182616.db2.gz RXTRIWGMYNVQLW-INIZCTEOSA-N -1 0 346.398 2.872 20 30 EFEDRM N#Cc1ncc(SCCCCc2ccccc2)nc1-c1nnn[n-]1 ZINC001592708670 1094183187 /nfs/dbraw/zinc/18/31/87/1094183187.db2.gz HYMVXVIGSUZOBC-UHFFFAOYSA-N -1 0 337.412 2.643 20 30 EFEDRM N#Cc1nc(Oc2ccc(Cl)cc2Cl)cnc1-c1nnn[n-]1 ZINC001592707592 1094183204 /nfs/dbraw/zinc/18/32/04/1094183204.db2.gz OKNKCWHTPWCPNW-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1cc(F)ccc1[O-] ZINC001592794596 1094189298 /nfs/dbraw/zinc/18/92/98/1094189298.db2.gz QDWZATBTIFQRGF-GQCTYLIASA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC001593281949 1094263832 /nfs/dbraw/zinc/26/38/32/1094263832.db2.gz OKACYJKQSROQBJ-UPHRSURJSA-N -1 0 332.366 2.584 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nn[nH]n2)cn1 ZINC001593538795 1094350037 /nfs/dbraw/zinc/35/00/37/1094350037.db2.gz HCMMFTMNEZBUDC-ZWSORDCHSA-N -1 0 349.181 2.893 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(Br)c(C#N)c2)O1 ZINC001594107137 1094419511 /nfs/dbraw/zinc/41/95/11/1094419511.db2.gz WZBADLALDHKGLV-NSHDSACASA-N -1 0 338.157 2.847 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(Br)c(C#N)c2)O1 ZINC001594107135 1094419741 /nfs/dbraw/zinc/41/97/41/1094419741.db2.gz WZBADLALDHKGLV-LLVKDONJSA-N -1 0 338.157 2.847 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594339980 1094425292 /nfs/dbraw/zinc/42/52/92/1094425292.db2.gz LMVKZOTZZYJNJG-BLVKFPJESA-N -1 0 339.395 2.997 20 30 EFEDRM CCc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1O ZINC001597469751 1094590041 /nfs/dbraw/zinc/59/00/41/1094590041.db2.gz FAJYSMMFXHFAEI-UHFFFAOYSA-N -1 0 325.320 2.881 20 30 EFEDRM CSc1ccc(NC(=O)c2ncc(C#N)cc2C)cc1C(=O)[O-] ZINC001599820813 1094700216 /nfs/dbraw/zinc/70/02/16/1094700216.db2.gz NJOFNQQIGBPMLT-UHFFFAOYSA-N -1 0 327.365 2.934 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2ncc(C#N)cc2Br)n1C ZINC001599998241 1094710691 /nfs/dbraw/zinc/71/06/91/1094710691.db2.gz NJCOGIVWNNCXRN-UHFFFAOYSA-N -1 0 349.188 2.673 20 30 EFEDRM Cc1c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cnn1CCC#N ZINC001600008344 1094716501 /nfs/dbraw/zinc/71/65/01/1094716501.db2.gz DVHWLEYIYIRZEC-UHFFFAOYSA-N -1 0 341.367 2.687 20 30 EFEDRM Cc1c(/C=C/C(=O)c2cnn(C3CCCC3)c2)c(C(=O)[O-])nn1C ZINC001600009607 1094718283 /nfs/dbraw/zinc/71/82/83/1094718283.db2.gz PRYMKKVVYJLBPV-BQYQJAHWSA-N -1 0 328.372 2.634 20 30 EFEDRM Cc1c(NC(=O)C#Cc2ccc3c(c2)OCO3)ccc(F)c1C(=O)[O-] ZINC001600023107 1094726317 /nfs/dbraw/zinc/72/63/17/1094726317.db2.gz FIERZBKDYMAZJU-UHFFFAOYSA-N -1 0 341.294 2.551 20 30 EFEDRM Cc1c(NC(=O)c2ccc(CC#N)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046183 1094740978 /nfs/dbraw/zinc/74/09/78/1094740978.db2.gz DTNDGAFNZJXGQV-UHFFFAOYSA-N -1 0 339.307 2.920 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001600075266 1094753109 /nfs/dbraw/zinc/75/31/09/1094753109.db2.gz QBZPILKEKHQMTE-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cc(C)cc(C#N)c2)n1C ZINC001600074291 1094753156 /nfs/dbraw/zinc/75/31/56/1094753156.db2.gz WSIIZEJWULNRIK-UHFFFAOYSA-N -1 0 326.356 2.534 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001600075073 1094753339 /nfs/dbraw/zinc/75/33/39/1094753339.db2.gz HHFUSFOEFVEOOY-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001600074632 1094753488 /nfs/dbraw/zinc/75/34/88/1094753488.db2.gz MVIBNWSOMUXHIM-LPHOPBHVSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001600074807 1094753912 /nfs/dbraw/zinc/75/39/12/1094753912.db2.gz RYWVGYAUGKEOJU-UHFFFAOYSA-N -1 0 329.381 2.535 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001600075129 1094754207 /nfs/dbraw/zinc/75/42/07/1094754207.db2.gz JJPFBOPKSZDWHV-UHFFFAOYSA-N -1 0 329.381 2.938 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001600074122 1094754259 /nfs/dbraw/zinc/75/42/59/1094754259.db2.gz OAZFEMCRPAFVNF-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C#N)cc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001600074248 1094754308 /nfs/dbraw/zinc/75/43/08/1094754308.db2.gz URMLLAUDHGRIQD-LSDHHAIUSA-N -1 0 343.333 2.845 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001600075470 1094754761 /nfs/dbraw/zinc/75/47/61/1094754761.db2.gz ZZYPFSHPCOLMRL-SFHVURJKSA-N -1 0 326.327 2.736 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001600076278 1094754831 /nfs/dbraw/zinc/75/48/31/1094754831.db2.gz QZJXTWVHRHAYMU-INIZCTEOSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001600076070 1094754987 /nfs/dbraw/zinc/75/49/87/1094754987.db2.gz KUFDLFIIMFOIRD-AWEZNQCLSA-N -1 0 347.733 2.610 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001600076176 1094756247 /nfs/dbraw/zinc/75/62/47/1094756247.db2.gz MXBFGGZEYZRJTP-CVEARBPZSA-N -1 0 341.411 2.757 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001600130189 1094789784 /nfs/dbraw/zinc/78/97/84/1094789784.db2.gz UDCUHQUHARQRQI-UHFFFAOYSA-N -1 0 339.351 2.573 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nn1C(C)C ZINC001600133893 1094793260 /nfs/dbraw/zinc/79/32/60/1094793260.db2.gz AJLRGRFNMZZXPV-OAHLLOKOSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1cc(C)c(C#N)c(N(C)Cc2ccc(OCC(=O)[O-])cc2)n1 ZINC001600147167 1094807178 /nfs/dbraw/zinc/80/71/78/1094807178.db2.gz NIKKVQMCPYPOCX-UHFFFAOYSA-N -1 0 325.368 2.670 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2cccc(C#N)c2C)C(=O)[O-])ccc1F ZINC001600148834 1094809207 /nfs/dbraw/zinc/80/92/07/1094809207.db2.gz PFIIDGUHDPIWDQ-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)c(C(=O)N(CC#N)CCC(=O)[O-])cc1Br ZINC001600151680 1094814621 /nfs/dbraw/zinc/81/46/21/1094814621.db2.gz VGZGJUPNGDWFCK-UHFFFAOYSA-N -1 0 339.189 2.506 20 30 EFEDRM Cc1cc(C)c(NC(=O)[C@@H](C)N(CC#N)CCC(=O)[O-])c(Cl)c1 ZINC001600162803 1094827791 /nfs/dbraw/zinc/82/77/91/1094827791.db2.gz UCXMSJQPVPPZCT-GFCCVEGCSA-N -1 0 337.807 2.584 20 30 EFEDRM Cc1cc(/C=C2\C(=O)c3nccn3[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC001600186604 1094852114 /nfs/dbraw/zinc/85/21/14/1094852114.db2.gz QFCMCDCEBGZLHH-QENILXLESA-N -1 0 326.352 2.804 20 30 EFEDRM Cc1cc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1C#N ZINC001600191703 1094856960 /nfs/dbraw/zinc/85/69/60/1094856960.db2.gz NNWCQEGAIKXIDZ-QGZVFWFLSA-N -1 0 326.327 2.858 20 30 EFEDRM Cc1cc(CN2CCC[C@](C#N)(c3ccccn3)C2)oc1C(=O)[O-] ZINC001600192899 1094861237 /nfs/dbraw/zinc/86/12/37/1094861237.db2.gz IUWAWIKEKIEDMA-GOSISDBHSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1cc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600197627 1094865487 /nfs/dbraw/zinc/86/54/87/1094865487.db2.gz ZIOMJVPMEIOBJW-UHFFFAOYSA-N -1 0 342.351 2.632 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001600223397 1094900198 /nfs/dbraw/zinc/90/01/98/1094900198.db2.gz CTCDSZRHKZOZBX-UHFFFAOYSA-N -1 0 348.359 2.525 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000749589681 1094908945 /nfs/dbraw/zinc/90/89/45/1094908945.db2.gz MHECOTGKBAPYPQ-XBXARRHUSA-N -1 0 347.348 2.600 20 30 EFEDRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ncc1C(=O)[O-] ZINC001600250809 1094914737 /nfs/dbraw/zinc/91/47/37/1094914737.db2.gz XNUHAKMLMXNQIZ-UHFFFAOYSA-N -1 0 339.351 2.756 20 30 EFEDRM Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ncc1C(=O)[O-] ZINC001600252042 1094915859 /nfs/dbraw/zinc/91/58/59/1094915859.db2.gz TVBJRQIVDVGTST-UHFFFAOYSA-N -1 0 339.326 2.769 20 30 EFEDRM Cc1cc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c(C#N)cc1N(C)C ZINC001600255377 1094917708 /nfs/dbraw/zinc/91/77/08/1094917708.db2.gz MLCFWVVRUXHSBG-SNAWJCMRSA-N -1 0 339.351 2.876 20 30 EFEDRM Cc1cc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)oc1C(=O)[O-] ZINC001600296873 1094953675 /nfs/dbraw/zinc/95/36/75/1094953675.db2.gz GUAAFEMMUSQCGH-ZDUSSCGKSA-N -1 0 348.380 2.610 20 30 EFEDRM Cc1ccc(-c2nc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cs2)o1 ZINC001600316478 1094966837 /nfs/dbraw/zinc/96/68/37/1094966837.db2.gz WQCPGJLUKJQFIS-UHFFFAOYSA-N -1 0 345.380 2.542 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)oc2c1C(=O)CCC2 ZINC001649247873 1094969528 /nfs/dbraw/zinc/96/95/28/1094969528.db2.gz JAYLWRBFXXCFTI-VIFPVBQESA-N -1 0 331.759 2.984 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001600328712 1094975594 /nfs/dbraw/zinc/97/55/94/1094975594.db2.gz REECNFLIZGZMKM-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600328484 1094975715 /nfs/dbraw/zinc/97/57/15/1094975715.db2.gz JDPJJTAIHDCUCN-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1C#N ZINC001600338958 1094983848 /nfs/dbraw/zinc/98/38/48/1094983848.db2.gz ZHSIOCXTDPMDDL-MRXNPFEDSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCCCC#N ZINC001600352160 1094992506 /nfs/dbraw/zinc/99/25/06/1094992506.db2.gz DJQCOAKGXGYPDG-GFCCVEGCSA-N -1 0 332.356 2.647 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001600375393 1095014816 /nfs/dbraw/zinc/01/48/16/1095014816.db2.gz GNNUKTWFKAGUKQ-ZWKOTPCHSA-N -1 0 336.391 2.977 20 30 EFEDRM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1 ZINC001600389256 1095028272 /nfs/dbraw/zinc/02/82/72/1095028272.db2.gz JUDRXAWMYUVCLJ-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1ccc(N(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c(C)c1 ZINC001600432647 1095063555 /nfs/dbraw/zinc/06/35/55/1095063555.db2.gz CPRYZZZSTSWVNN-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])n2C)c(C)c1 ZINC001600458530 1095082109 /nfs/dbraw/zinc/08/21/09/1095082109.db2.gz OZCHMJIGSRDKRP-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1ccc(NN=Cc2cnnn2Cc2ccccc2)cc1C(=O)[O-] ZINC001600463171 1095086739 /nfs/dbraw/zinc/08/67/39/1095086739.db2.gz OGSNGRFPODLFSH-UHFFFAOYSA-N -1 0 335.367 2.779 20 30 EFEDRM Cc1ccc(O[C@@H]2CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)nc1 ZINC001600469248 1095091894 /nfs/dbraw/zinc/09/18/94/1095091894.db2.gz JTCRCSARIVBDEZ-OAHLLOKOSA-N -1 0 337.379 2.613 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])c1 ZINC001600526869 1095136832 /nfs/dbraw/zinc/13/68/32/1095136832.db2.gz ASEGVOYCLHIVCT-MRXNPFEDSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)Cc3ccccc3C(=O)[O-])nc21 ZINC001600555302 1095159990 /nfs/dbraw/zinc/15/99/90/1095159990.db2.gz PPMSPHSVTBMNHT-AWEZNQCLSA-N -1 0 333.347 2.989 20 30 EFEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)NCCCCC#N)c1 ZINC001600633647 1095225863 /nfs/dbraw/zinc/22/58/63/1095225863.db2.gz XODXQEDKMBWTSI-UHFFFAOYSA-N -1 0 341.371 2.694 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001600641014 1095229244 /nfs/dbraw/zinc/22/92/44/1095229244.db2.gz HYOMXAXXCAFXMH-AWEZNQCLSA-N -1 0 326.352 2.990 20 30 EFEDRM Cc1csc(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c1C#N ZINC001600661787 1095243665 /nfs/dbraw/zinc/24/36/65/1095243665.db2.gz GJAOLOIYQNGUCW-UHFFFAOYSA-N -1 0 332.385 2.595 20 30 EFEDRM Cc1nc(-c2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2)cs1 ZINC001600676682 1095252282 /nfs/dbraw/zinc/25/22/82/1095252282.db2.gz JIYQVNUWGMCWNW-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1nc(-c2ccsc2)ccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600681355 1095256375 /nfs/dbraw/zinc/25/63/75/1095256375.db2.gz VZNQCQIHNDWRQJ-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1nc(C#N)c(N=NCc2ccc(C(=O)[O-])cc2Br)o1 ZINC001600682608 1095257083 /nfs/dbraw/zinc/25/70/83/1095257083.db2.gz TYHFVQVQEMJGRF-UHFFFAOYSA-N -1 0 349.144 2.761 20 30 EFEDRM Cc1nc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccc1C#N ZINC001600684592 1095258452 /nfs/dbraw/zinc/25/84/52/1095258452.db2.gz MHSIBTLCVSULCB-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1nc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ccc1C#N ZINC001600684675 1095259339 /nfs/dbraw/zinc/25/93/39/1095259339.db2.gz QXIVGZHESLOKMS-UHFFFAOYSA-N -1 0 341.392 2.832 20 30 EFEDRM Cc1nc(C(F)(F)F)c(CN2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001600689482 1095262586 /nfs/dbraw/zinc/26/25/86/1095262586.db2.gz NHLNLHWBLUKZJK-UHFFFAOYSA-N -1 0 333.335 2.661 20 30 EFEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001649247987 1095271231 /nfs/dbraw/zinc/27/12/31/1095271231.db2.gz KHVVIGMYZSYFIH-VIFPVBQESA-N -1 0 338.820 2.865 20 30 EFEDRM Cc1nc(COC(=O)c2c(F)cc(C#N)cc2F)sc1C(=O)[O-] ZINC001600704079 1095274237 /nfs/dbraw/zinc/27/42/37/1095274237.db2.gz KBTRWFRYNOJZDB-UHFFFAOYSA-N -1 0 338.291 2.657 20 30 EFEDRM Cc1nc2sc3c(c2c(N2CCC(C#N)(C(=O)[O-])CC2)n1)CCC3 ZINC001600707904 1095278156 /nfs/dbraw/zinc/27/81/56/1095278156.db2.gz BGFQNQKQCMSRTO-UHFFFAOYSA-N -1 0 342.424 2.683 20 30 EFEDRM Cc1nc2cccc(Cl)c2cc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600728413 1095294454 /nfs/dbraw/zinc/29/44/54/1095294454.db2.gz PLGXHGPXZOBSAH-UHFFFAOYSA-N -1 0 331.759 2.637 20 30 EFEDRM Cc1nn(-c2ccc(Cl)cc2)cc1CN(CC#N)CCC(=O)[O-] ZINC001600761439 1095314286 /nfs/dbraw/zinc/31/42/86/1095314286.db2.gz RKDOOWWGHTWUQU-UHFFFAOYSA-N -1 0 332.791 2.634 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CCC[C@](C)(C(=O)[O-])C2)c1C#N ZINC001600762559 1095314983 /nfs/dbraw/zinc/31/49/83/1095314983.db2.gz UXAXXRFILPHQOT-IBGZPJMESA-N -1 0 338.411 2.739 20 30 EFEDRM Cc1nn(C(C)C)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600766210 1095318964 /nfs/dbraw/zinc/31/89/64/1095318964.db2.gz FICQPUZGWJQVQY-UHFFFAOYSA-N -1 0 327.340 2.699 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1OC(=O)CCc1ccccc1C(=O)[O-] ZINC001600784264 1095329895 /nfs/dbraw/zinc/32/98/95/1095329895.db2.gz GBQJOMXALNYLJK-UHFFFAOYSA-N -1 0 341.367 2.650 20 30 EFEDRM CC1N=NC(=S)N1N=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001600799501 1095339766 /nfs/dbraw/zinc/33/97/66/1095339766.db2.gz VWEOFWOZOROCIQ-UHFFFAOYSA-N -1 0 328.353 2.716 20 30 EFEDRM Cc1nnc(SCCOc2ccccc2C(=O)[O-])c(C#N)c1C ZINC001600799398 1095339949 /nfs/dbraw/zinc/33/99/49/1095339949.db2.gz NXZNTNJHASOSDL-UHFFFAOYSA-N -1 0 329.381 2.834 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001600821963 1095354986 /nfs/dbraw/zinc/35/49/86/1095354986.db2.gz MEDRMEZPERUWHV-HNNXBMFYSA-N -1 0 341.367 2.864 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001600822296 1095355058 /nfs/dbraw/zinc/35/50/58/1095355058.db2.gz QZTBWIWVTXACHD-UHFFFAOYSA-N -1 0 332.337 2.544 20 30 EFEDRM Cc1oc(C(C)C)nc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600835698 1095368174 /nfs/dbraw/zinc/36/81/74/1095368174.db2.gz LNFRCWJYUIQMEB-CQSZACIVSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1oc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600853413 1095383069 /nfs/dbraw/zinc/38/30/69/1095383069.db2.gz REXNEGKEANNUMG-LLVKDONJSA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)NCCc1ccc(C#N)cc1 ZINC001600871717 1095394861 /nfs/dbraw/zinc/39/48/61/1095394861.db2.gz DFJFHBXGIMYSKV-UHFFFAOYSA-N -1 0 329.381 2.991 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001600899366 1095414235 /nfs/dbraw/zinc/41/42/35/1095414235.db2.gz KGHDPVLLEIMNNH-UHFFFAOYSA-N -1 0 339.376 2.740 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001600899942 1095414243 /nfs/dbraw/zinc/41/42/43/1095414243.db2.gz YZPHKYWDCFBGOU-CQSZACIVSA-N -1 0 331.416 2.830 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001600909329 1095421001 /nfs/dbraw/zinc/42/10/01/1095421001.db2.gz ROOZEZWREKMYMJ-AWEZNQCLSA-N -1 0 333.347 2.690 20 30 EFEDRM Cn1c(Sc2ccc(C(=O)[O-])nc2C#N)nnc1-c1ccccc1 ZINC001600921274 1095429992 /nfs/dbraw/zinc/42/99/92/1095429992.db2.gz DDCAAHOPYXBZNX-UHFFFAOYSA-N -1 0 337.364 2.598 20 30 EFEDRM Cn1cc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C(C)(C)C)n1 ZINC001600938024 1095437365 /nfs/dbraw/zinc/43/73/65/1095437365.db2.gz PNZHEVHMOKDFLM-UHFFFAOYSA-N -1 0 340.379 2.624 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2ncc(Br)s2)cc1C(=O)[O-] ZINC001600946219 1095440623 /nfs/dbraw/zinc/44/06/23/1095440623.db2.gz OYQDNRFUFBPCNW-NSCUHMNNSA-N -1 0 341.186 2.838 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001601004967 1095462010 /nfs/dbraw/zinc/46/20/10/1095462010.db2.gz QEIVBNCMONOVLO-UHFFFAOYSA-N -1 0 339.138 2.549 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001601047433 1095478478 /nfs/dbraw/zinc/47/84/78/1095478478.db2.gz PSJKZSPXBRORLJ-HIFRSBDPSA-N -1 0 328.393 2.763 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001601047733 1095478658 /nfs/dbraw/zinc/47/86/58/1095478658.db2.gz BYAOVSMWLMQWHD-JTQLQIEISA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCSc2ccccc2F)CC1 ZINC001601047945 1095479628 /nfs/dbraw/zinc/47/96/28/1095479628.db2.gz AKWICGNSWNMHAR-UHFFFAOYSA-N -1 0 336.388 2.525 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001601049683 1095479633 /nfs/dbraw/zinc/47/96/33/1095479633.db2.gz PCIRGYQWDHEVNE-AEFFLSMTSA-N -1 0 349.390 2.621 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC001601048388 1095479729 /nfs/dbraw/zinc/47/97/29/1095479729.db2.gz DXKBSUHJDNCRAA-MRXNPFEDSA-N -1 0 344.392 2.558 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])on1)c1cccc(Cl)c1Cl ZINC001601048658 1095479901 /nfs/dbraw/zinc/47/99/01/1095479901.db2.gz ODYHETNVARXYCD-VIFPVBQESA-N -1 0 340.122 2.674 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001601048117 1095480280 /nfs/dbraw/zinc/48/02/80/1095480280.db2.gz HLWPICHSPPFAAL-MRXNPFEDSA-N -1 0 328.412 2.910 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001601049636 1095480294 /nfs/dbraw/zinc/48/02/94/1095480294.db2.gz NUMXZMIKNHSLTL-HOTGVXAUSA-N -1 0 338.363 2.819 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC001601051790 1095481327 /nfs/dbraw/zinc/48/13/27/1095481327.db2.gz UZLLLLASPMXVAK-MRXNPFEDSA-N -1 0 341.411 2.928 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC001601051630 1095481453 /nfs/dbraw/zinc/48/14/53/1095481453.db2.gz DEHANKXQZLHBHY-UHFFFAOYSA-N -1 0 328.372 2.571 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC001601052075 1095481715 /nfs/dbraw/zinc/48/17/15/1095481715.db2.gz LLZCSZNYLKOJBA-UHFFFAOYSA-N -1 0 341.289 2.928 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC12CCCC2 ZINC001601050892 1095481806 /nfs/dbraw/zinc/48/18/06/1095481806.db2.gz SPTKBRCRADAHJN-MRXNPFEDSA-N -1 0 329.312 2.706 20 30 EFEDRM N#CC1(CCCN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)CCOCC1 ZINC001601055133 1095483032 /nfs/dbraw/zinc/48/30/32/1095483032.db2.gz XJIMHPHLPKNNSU-MRXNPFEDSA-N -1 0 348.374 2.578 20 30 EFEDRM N#CC1(CC(=O)OCc2c(Br)cccc2C(=O)[O-])CC1 ZINC001601054435 1095483071 /nfs/dbraw/zinc/48/30/71/1095483071.db2.gz GTUBIKSRPASWMM-UHFFFAOYSA-N -1 0 338.157 2.884 20 30 EFEDRM N#CC1(CC(=O)OCc2c(Cl)cccc2C(=O)[O-])CCOCC1 ZINC001601054253 1095483106 /nfs/dbraw/zinc/48/31/06/1095483106.db2.gz DFQVKTQUNCDGPA-UHFFFAOYSA-N -1 0 337.759 2.792 20 30 EFEDRM N#CC1(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCCCC1 ZINC001601055165 1095483134 /nfs/dbraw/zinc/48/31/34/1095483134.db2.gz SMIGQQJVOBLJSU-MRXNPFEDSA-N -1 0 326.396 2.889 20 30 EFEDRM N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)CCCCC1 ZINC001601053752 1095483175 /nfs/dbraw/zinc/48/31/75/1095483175.db2.gz REUAGDCKVKHYLE-HRCADAONSA-N -1 0 348.443 2.721 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001601053833 1095483388 /nfs/dbraw/zinc/48/33/88/1095483388.db2.gz WCRBWBZEJVHJKU-UHFFFAOYSA-N -1 0 333.697 2.949 20 30 EFEDRM N#CC1(CC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)CCOCC1 ZINC001601055272 1095483396 /nfs/dbraw/zinc/48/33/96/1095483396.db2.gz VVGZLEQFVNUKAH-AWEZNQCLSA-N -1 0 337.759 2.719 20 30 EFEDRM N#CC1(CCCN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)CCOCC1 ZINC001601055126 1095483476 /nfs/dbraw/zinc/48/34/76/1095483476.db2.gz XJIMHPHLPKNNSU-INIZCTEOSA-N -1 0 348.374 2.578 20 30 EFEDRM N#CC1(CC(=O)NCc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001601055338 1095483487 /nfs/dbraw/zinc/48/34/87/1095483487.db2.gz WCCRCXNDFAYTAM-UHFFFAOYSA-N -1 0 330.384 2.630 20 30 EFEDRM N#CC1(CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001601056456 1095484433 /nfs/dbraw/zinc/48/44/33/1095484433.db2.gz JNYIJSDRKHUCBE-UHFFFAOYSA-N -1 0 333.413 2.820 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001601057618 1095484469 /nfs/dbraw/zinc/48/44/69/1095484469.db2.gz ALQGDCLFHDYPBB-QGZVFWFLSA-N -1 0 327.409 2.899 20 30 EFEDRM N#CC1(COC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CCCC1 ZINC001601056002 1095484682 /nfs/dbraw/zinc/48/46/82/1095484682.db2.gz LLLQLEHVZQGWSF-UHFFFAOYSA-N -1 0 339.351 2.811 20 30 EFEDRM N#CC1(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CCC1 ZINC001601056644 1095484806 /nfs/dbraw/zinc/48/48/06/1095484806.db2.gz SJSFSEXMMCIGIG-UHFFFAOYSA-N -1 0 333.413 2.820 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001601057150 1095484998 /nfs/dbraw/zinc/48/49/98/1095484998.db2.gz NQHFZDYVIIZPBM-INIZCTEOSA-N -1 0 331.372 2.946 20 30 EFEDRM N#CC1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCOCC1 ZINC001601056383 1095485014 /nfs/dbraw/zinc/48/50/14/1095485014.db2.gz YBMDJXMYMAWASP-UHFFFAOYSA-N -1 0 339.735 2.679 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001601057322 1095485079 /nfs/dbraw/zinc/48/50/79/1095485079.db2.gz UCEZXGKTKVNUDW-ZDUSSCGKSA-N -1 0 327.153 2.585 20 30 EFEDRM N#CC[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001601061715 1095485939 /nfs/dbraw/zinc/48/59/39/1095485939.db2.gz FNOBGTIUJOEXNV-SNVBAGLBSA-N -1 0 335.326 2.555 20 30 EFEDRM N#CC[C@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001601060319 1095486106 /nfs/dbraw/zinc/48/61/06/1095486106.db2.gz BYWGCUCWVFKNIQ-ZDUSSCGKSA-N -1 0 343.770 2.747 20 30 EFEDRM N#C[C@@H]1CC[C@@H](N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC001601059534 1095486325 /nfs/dbraw/zinc/48/63/25/1095486325.db2.gz GRPHZIGJHDOYNO-KBRIMQKVSA-N -1 0 347.846 2.776 20 30 EFEDRM N#CC[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC001601060669 1095486450 /nfs/dbraw/zinc/48/64/50/1095486450.db2.gz LIUKNPKTVIIJJL-IUODEOHRSA-N -1 0 340.301 2.549 20 30 EFEDRM N#CC[C@@H](CC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)c1ccccc1 ZINC001601061733 1095486551 /nfs/dbraw/zinc/48/65/51/1095486551.db2.gz GFRCAZFTWMXFSX-ZDUSSCGKSA-N -1 0 338.367 2.554 20 30 EFEDRM N#CC[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001601060245 1095486563 /nfs/dbraw/zinc/48/65/63/1095486563.db2.gz AOKWCOREHLKLOY-QGZVFWFLSA-N -1 0 338.363 2.577 20 30 EFEDRM N#CC[C@H](CC(=O)NC1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC001601060301 1095486701 /nfs/dbraw/zinc/48/67/01/1095486701.db2.gz BKUMYLBHWCJRTI-CQSZACIVSA-N -1 0 332.425 2.541 20 30 EFEDRM N#CC[C@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC001601061208 1095486753 /nfs/dbraw/zinc/48/67/53/1095486753.db2.gz RNWRALLOTOSSLT-LBPRGKRZSA-N -1 0 334.335 2.897 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001601066338 1095487956 /nfs/dbraw/zinc/48/79/56/1095487956.db2.gz ACFXQRCWKJMLIY-INIZCTEOSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c2ccccc21 ZINC001601067247 1095487966 /nfs/dbraw/zinc/48/79/66/1095487966.db2.gz RRKLEQZDGFAWCF-INIZCTEOSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCCCc1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001601066488 1095488047 /nfs/dbraw/zinc/48/80/47/1095488047.db2.gz FJXUOMORDFBGHA-CQSZACIVSA-N -1 0 345.447 2.616 20 30 EFEDRM N#CCCCNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001601065598 1095488482 /nfs/dbraw/zinc/48/84/82/1095488482.db2.gz OZBDNDLVENRABY-UHFFFAOYSA-N -1 0 344.396 2.611 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001601070228 1095489504 /nfs/dbraw/zinc/48/95/04/1095489504.db2.gz LAERFBHSDWKUDO-VURMDHGXSA-N -1 0 326.327 2.819 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1csc(COc2ccccc2)n1 ZINC001601072826 1095489549 /nfs/dbraw/zinc/48/95/49/1095489549.db2.gz OBUALKAZVHQDNF-UHFFFAOYSA-N -1 0 331.397 2.522 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC001601071201 1095489735 /nfs/dbraw/zinc/48/97/35/1095489735.db2.gz VPBDIDQJTDQEHJ-UHFFFAOYSA-N -1 0 345.182 2.589 20 30 EFEDRM N#CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(Cl)cc1 ZINC001601070560 1095489926 /nfs/dbraw/zinc/48/99/26/1095489926.db2.gz QUEURALYCIZAPK-UONOGXRCSA-N -1 0 336.775 2.609 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001601068492 1095489935 /nfs/dbraw/zinc/48/99/35/1095489935.db2.gz CMEJPJXURGYRKQ-QWHCGFSZSA-N -1 0 348.424 2.901 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001601069929 1095489959 /nfs/dbraw/zinc/48/99/59/1095489959.db2.gz UIZKSXVVQOGANU-UHFFFAOYSA-N -1 0 342.298 2.970 20 30 EFEDRM N#CCSc1ccccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601075590 1095491271 /nfs/dbraw/zinc/49/12/71/1095491271.db2.gz OKBYPDCXGIZHIZ-PBHICJAKSA-N -1 0 330.409 2.772 20 30 EFEDRM N#CCOc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001601075403 1095491330 /nfs/dbraw/zinc/49/13/30/1095491330.db2.gz GYYQNBHJCRGVGC-FZKQIMNGSA-N -1 0 343.383 2.698 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001601074230 1095491467 /nfs/dbraw/zinc/49/14/67/1095491467.db2.gz ODLJYDLFYDATEG-UHFFFAOYSA-N -1 0 331.372 2.746 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601073593 1095491822 /nfs/dbraw/zinc/49/18/22/1095491822.db2.gz DKXPUOIYBMBHJD-PBHICJAKSA-N -1 0 347.346 2.589 20 30 EFEDRM N#CCSCC(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001601076546 1095492709 /nfs/dbraw/zinc/49/27/09/1095492709.db2.gz VRFSHVIYVMBEQK-NSHDSACASA-N -1 0 347.314 2.501 20 30 EFEDRM N#CCc1cccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001601077564 1095493233 /nfs/dbraw/zinc/49/32/33/1095493233.db2.gz HMRMPBIKQQNNIQ-INIZCTEOSA-N -1 0 327.311 2.744 20 30 EFEDRM N#CCc1ccccc1CC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001601077694 1095493386 /nfs/dbraw/zinc/49/33/86/1095493386.db2.gz ARSIPNVTOZLRDH-UHFFFAOYSA-N -1 0 340.354 2.942 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)C2 ZINC001601077547 1095493395 /nfs/dbraw/zinc/49/33/95/1095493395.db2.gz FLCGPWBJIFLOIU-UHFFFAOYSA-N -1 0 338.338 2.788 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001601077128 1095493456 /nfs/dbraw/zinc/49/34/56/1095493456.db2.gz MNGHXINQLUIORF-UHFFFAOYSA-N -1 0 345.305 2.780 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2 ZINC001601077721 1095493619 /nfs/dbraw/zinc/49/36/19/1095493619.db2.gz IVQUVUQLVQYRKD-UHFFFAOYSA-N -1 0 338.407 2.672 20 30 EFEDRM N#Cc1c(Cl)nsc1N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001601080605 1095494488 /nfs/dbraw/zinc/49/44/88/1095494488.db2.gz GEXKIFSFLBBDGR-NTSWFWBYSA-N -1 0 339.726 2.758 20 30 EFEDRM N#Cc1c(COC(=O)c2ncsc2C2CC2)cccc1C(=O)[O-] ZINC001601080198 1095494525 /nfs/dbraw/zinc/49/45/25/1095494525.db2.gz BQBMAFNWPYQKEK-UHFFFAOYSA-N -1 0 328.349 2.947 20 30 EFEDRM N#CCn1c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC001601078925 1095494763 /nfs/dbraw/zinc/49/47/63/1095494763.db2.gz JIYUHNWKEQQFSX-OAHLLOKOSA-N -1 0 325.368 2.634 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc2ccccc21 ZINC001601079422 1095494784 /nfs/dbraw/zinc/49/47/84/1095494784.db2.gz XGNDKWPBHSSHDZ-OAHLLOKOSA-N -1 0 339.376 2.782 20 30 EFEDRM N#CCn1c(C(=O)OCc2ccc(C(=O)[O-])cn2)cc2ccccc21 ZINC001601079162 1095494955 /nfs/dbraw/zinc/49/49/55/1095494955.db2.gz PWFFVVLQMKYEJX-UHFFFAOYSA-N -1 0 335.319 2.615 20 30 EFEDRM N#CCc1ccsc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001601079102 1095494959 /nfs/dbraw/zinc/49/49/59/1095494959.db2.gz NACVLKKEEPYEHV-CYBMUJFWSA-N -1 0 326.377 2.718 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1F ZINC001601080728 1095494990 /nfs/dbraw/zinc/49/49/90/1095494990.db2.gz HKQUBZPHJIQILW-ZDUSSCGKSA-N -1 0 336.338 2.847 20 30 EFEDRM N#CCc1ccsc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001601078783 1095495129 /nfs/dbraw/zinc/49/51/29/1095495129.db2.gz APSYLVLDKJIMDO-ZDUSSCGKSA-N -1 0 346.383 2.627 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601078808 1095495289 /nfs/dbraw/zinc/49/52/89/1095495289.db2.gz BYHIOFJYFJHYED-GOSISDBHSA-N -1 0 340.404 2.683 20 30 EFEDRM N#Cc1c(CNc2ccc(C(=O)NC3CC3)cc2)cccc1C(=O)[O-] ZINC001601082358 1095496295 /nfs/dbraw/zinc/49/62/95/1095496295.db2.gz RPWQBFIWFSXZOX-UHFFFAOYSA-N -1 0 335.363 2.761 20 30 EFEDRM N#Cc1c(CN2CC[C@H](n3cc(Cl)cn3)C2)cccc1C(=O)[O-] ZINC001601081899 1095496589 /nfs/dbraw/zinc/49/65/89/1095496589.db2.gz QMSBLKZXAVKFSE-ZDUSSCGKSA-N -1 0 330.775 2.553 20 30 EFEDRM N#Cc1c(CN2CCN(c3ccc(F)cc3)CC2)cccc1C(=O)[O-] ZINC001601081436 1095496601 /nfs/dbraw/zinc/49/66/01/1095496601.db2.gz GRFLHBZIPBWTFW-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1F ZINC001601080811 1095496738 /nfs/dbraw/zinc/49/67/38/1095496738.db2.gz JJSWCQYZJXYIMW-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(OC(F)F)cn2)cccc1C(=O)[O-] ZINC001601083806 1095497660 /nfs/dbraw/zinc/49/76/60/1095497660.db2.gz SPBGOOYOAHZYGR-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2Cc3ccc(F)cc32)cccc1C(=O)[O-] ZINC001601083932 1095497932 /nfs/dbraw/zinc/49/79/32/1095497932.db2.gz YMPWYRYRWDQJOG-HNNXBMFYSA-N -1 0 325.295 2.779 20 30 EFEDRM N#Cc1c(COC(=O)c2c(N)cc(F)cc2Cl)cccc1C(=O)[O-] ZINC001601083862 1095498076 /nfs/dbraw/zinc/49/80/76/1095498076.db2.gz WCUVBBFZIKXXGX-UHFFFAOYSA-N -1 0 348.717 2.988 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cnc1C(F)(F)F ZINC001601086418 1095499080 /nfs/dbraw/zinc/49/90/80/1095499080.db2.gz PDHNVJFFACLOKK-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(C[C@H]2CCC[C@H](c3ccccc3)O2)c1=O ZINC001601086949 1095499159 /nfs/dbraw/zinc/49/91/59/1095499159.db2.gz CCZZDLMQFDWKFH-IAGOWNOFSA-N -1 0 338.363 2.729 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)ccc1Cl ZINC001601086299 1095499178 /nfs/dbraw/zinc/49/91/78/1095499178.db2.gz ITZBJDXTXVQCLW-UHFFFAOYSA-N -1 0 344.710 2.891 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)ccn1 ZINC001601086592 1095499342 /nfs/dbraw/zinc/49/93/42/1095499342.db2.gz YOCZATIVEJEEMN-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cnc1C(F)(F)F ZINC001601085942 1095499356 /nfs/dbraw/zinc/49/93/56/1095499356.db2.gz QYNRWUJDBOBYNF-UHFFFAOYSA-N -1 0 349.268 2.600 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)NCCSCCC(=O)[O-])c(Cl)c1 ZINC001601086758 1095499397 /nfs/dbraw/zinc/49/93/97/1095499397.db2.gz HQOMWKLMWIQCMK-UHFFFAOYSA-N -1 0 347.223 2.803 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1F ZINC001601085656 1095499402 /nfs/dbraw/zinc/49/94/02/1095499402.db2.gz HLKUKNLBXSZGTE-HZPDHXFCSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC001601085934 1095499529 /nfs/dbraw/zinc/49/95/29/1095499529.db2.gz QOUCCWAWDACJJJ-OAHLLOKOSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1cc(F)c(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601088501 1095500278 /nfs/dbraw/zinc/50/02/78/1095500278.db2.gz XHBHNCHWBAMDGU-UONOGXRCSA-N -1 0 344.317 2.847 20 30 EFEDRM N#Cc1cc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cs1 ZINC001601087472 1095501046 /nfs/dbraw/zinc/50/10/46/1095501046.db2.gz HITGJRYFYMUWQN-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM N#Cc1cc(Cl)ccc1S[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601087951 1095501085 /nfs/dbraw/zinc/50/10/85/1095501085.db2.gz LYUSVTGMVIKVRM-ZDUSSCGKSA-N -1 0 338.816 2.769 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC001601087439 1095501098 /nfs/dbraw/zinc/50/10/98/1095501098.db2.gz VEXCJFLNYHVBTM-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cc(NCC(=O)NC2(C(=O)[O-])CCCCC2)ccc1Cl ZINC001601090579 1095502447 /nfs/dbraw/zinc/50/24/47/1095502447.db2.gz IKOMLMDUUJTTOG-UHFFFAOYSA-N -1 0 335.791 2.527 20 30 EFEDRM N#Cc1cc(NC(=O)CCSCC(=O)[O-])ccc1OC(F)(F)F ZINC001601090378 1095502730 /nfs/dbraw/zinc/50/27/30/1095502730.db2.gz YBTWCQBVTNDUPK-UHFFFAOYSA-N -1 0 348.302 2.603 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)OCc3cc(C(=O)[O-])co3)CC2)c1 ZINC001601089631 1095502782 /nfs/dbraw/zinc/50/27/82/1095502782.db2.gz OUIQZXNYXYHOHJ-UHFFFAOYSA-N -1 0 329.283 2.764 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(F)cc1F ZINC001601090768 1095502960 /nfs/dbraw/zinc/50/29/60/1095502960.db2.gz SMIJHWQUWXAIRE-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c(F)c1 ZINC001601093068 1095503751 /nfs/dbraw/zinc/50/37/51/1095503751.db2.gz HKVJLXMGBDVGBW-UHFFFAOYSA-N -1 0 345.355 2.911 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccccc2-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001601092475 1095503952 /nfs/dbraw/zinc/50/39/52/1095503952.db2.gz QZYSVUWQGDOIKB-UHFFFAOYSA-N -1 0 346.346 2.577 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(F)c1 ZINC001601091962 1095504163 /nfs/dbraw/zinc/50/41/63/1095504163.db2.gz ILTXQVFQWJZHEK-ZDUSSCGKSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1Cl ZINC001601093272 1095504696 /nfs/dbraw/zinc/50/46/96/1095504696.db2.gz ZJKFUOWQSRULTF-VNHYZAJKSA-N -1 0 332.787 2.927 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001601094420 1095506025 /nfs/dbraw/zinc/50/60/25/1095506025.db2.gz VROGLNAPLSPRBQ-CZUORRHYSA-N -1 0 338.363 2.844 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC001601095449 1095506111 /nfs/dbraw/zinc/50/61/11/1095506111.db2.gz QVCHTCUGHWNOEW-UYAOXDASSA-N -1 0 346.390 2.636 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC001601094943 1095506435 /nfs/dbraw/zinc/50/64/35/1095506435.db2.gz BWXHQDKXPCGXBW-MOPGFXCFSA-N -1 0 336.391 2.627 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC001601094944 1095506626 /nfs/dbraw/zinc/50/66/26/1095506626.db2.gz BWXHQDKXPCGXBW-OALUTQOASA-N -1 0 336.391 2.627 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001601094421 1095506657 /nfs/dbraw/zinc/50/66/57/1095506657.db2.gz VROGLNAPLSPRBQ-XJKSGUPXSA-N -1 0 338.363 2.844 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601096147 1095508343 /nfs/dbraw/zinc/50/83/43/1095508343.db2.gz PAYRSZVWOBJRSP-GJZGRUSLSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCc3ccoc3C(=O)[O-])CCCC2)cc1 ZINC001601097253 1095508376 /nfs/dbraw/zinc/50/83/76/1095508376.db2.gz CHZPRPYBDXEGGN-UHFFFAOYSA-N -1 0 338.363 2.978 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CSC[C@@H]2CCCCO2)C(=O)[O-])cc1 ZINC001601095828 1095508385 /nfs/dbraw/zinc/50/83/85/1095508385.db2.gz DDZVAABILSFVCI-HOCLYGCPSA-N -1 0 349.408 2.529 20 30 EFEDRM N#Cc1ccc([C@H](Nc2cccc(N3CCOC3=O)c2)C(=O)[O-])cc1 ZINC001601097172 1095508689 /nfs/dbraw/zinc/50/86/89/1095508689.db2.gz ZJOORHPCFLDMOS-INIZCTEOSA-N -1 0 337.335 2.753 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(F)cc(Cl)c2N)C(=O)[O-])cc1 ZINC001601099234 1095509677 /nfs/dbraw/zinc/50/96/77/1095509677.db2.gz JYLUPOYZQVYJCR-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)cc1 ZINC001601098720 1095509848 /nfs/dbraw/zinc/50/98/48/1095509848.db2.gz XJOMMMYTVDOVJM-MRXNPFEDSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)nc1 ZINC001601097451 1095510234 /nfs/dbraw/zinc/51/02/34/1095510234.db2.gz HOWRZXFLOUCLEP-JKSUJKDBSA-N -1 0 341.411 2.550 20 30 EFEDRM N#Cc1ccc([C@H](SCc2ccccc2C(=O)[O-])C(N)=O)cc1 ZINC001601098733 1095510280 /nfs/dbraw/zinc/51/02/80/1095510280.db2.gz ASDXZZNKNVSHPK-HNNXBMFYSA-N -1 0 326.377 2.716 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccnn2CC2CCC2)C(=O)[O-])cc1 ZINC001601099036 1095510348 /nfs/dbraw/zinc/51/03/48/1095510348.db2.gz HMKVCLGBPAZSCQ-INIZCTEOSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CC2)cc1 ZINC001601099584 1095511521 /nfs/dbraw/zinc/51/15/21/1095511521.db2.gz RJLZDYUSOJXLBG-OXQOHEQNSA-N -1 0 338.407 2.693 20 30 EFEDRM N#Cc1ccc(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1Cl ZINC001601100682 1095511677 /nfs/dbraw/zinc/51/16/77/1095511677.db2.gz UIFUJBBVEBSMBS-ONEGZZNKSA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1 ZINC001601099960 1095511912 /nfs/dbraw/zinc/51/19/12/1095511912.db2.gz SZWPGUIZYWJCAE-UHFFFAOYSA-N -1 0 349.268 2.851 20 30 EFEDRM N#Cc1ccc([C@H](Sc2n[nH]c(-c3ccccn3)n2)C(=O)[O-])cc1 ZINC001601099297 1095512227 /nfs/dbraw/zinc/51/22/27/1095512227.db2.gz LPAUSGFOYDPYHP-ZDUSSCGKSA-N -1 0 337.364 2.656 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cccnc2SCCC(=O)[O-])cc1 ZINC001601100329 1095512321 /nfs/dbraw/zinc/51/23/21/1095512321.db2.gz YMKRISAMPXLBEU-UHFFFAOYSA-N -1 0 341.392 2.701 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001601102959 1095512969 /nfs/dbraw/zinc/51/29/69/1095512969.db2.gz USDVQRQVVGBWPG-UHFFFAOYSA-N -1 0 329.243 2.556 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001601103067 1095513345 /nfs/dbraw/zinc/51/33/45/1095513345.db2.gz AXICVKQMDUQTAN-HNNXBMFYSA-N -1 0 332.425 2.647 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC001601102659 1095513735 /nfs/dbraw/zinc/51/37/35/1095513735.db2.gz KKQJREOHFMWTOJ-ZDUSSCGKSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001601103110 1095513806 /nfs/dbraw/zinc/51/38/06/1095513806.db2.gz DCGNXPOSUOCFMK-CABCVRRESA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1F ZINC001601100784 1095513827 /nfs/dbraw/zinc/51/38/27/1095513827.db2.gz YXDAIJMAIWVGHB-NEPJUHHUSA-N -1 0 330.281 2.782 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC001601103559 1095514476 /nfs/dbraw/zinc/51/44/76/1095514476.db2.gz ULVJLTUYZXBBBH-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001601105586 1095514735 /nfs/dbraw/zinc/51/47/35/1095514735.db2.gz AEILNNODTKLMSV-JKSUJKDBSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601104235 1095514968 /nfs/dbraw/zinc/51/49/68/1095514968.db2.gz ZOJLKEWJMMJTRJ-YPMHNXCESA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)c1 ZINC001601108483 1095516353 /nfs/dbraw/zinc/51/63/53/1095516353.db2.gz OQTHXKIZSDROGL-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1F ZINC001601107331 1095516466 /nfs/dbraw/zinc/51/64/66/1095516466.db2.gz JWOVZWRQLCIPBW-SJKOYZFVSA-N -1 0 331.347 2.806 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)CC3(CC(=O)[O-])CCCC3)C2)cc1 ZINC001601109101 1095516511 /nfs/dbraw/zinc/51/65/11/1095516511.db2.gz FFJIKIBQEJIKBN-UHFFFAOYSA-N -1 0 342.395 2.573 20 30 EFEDRM N#Cc1ccc(NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001601107783 1095516649 /nfs/dbraw/zinc/51/66/49/1095516649.db2.gz KKNDJRDKDMSZQW-CQSZACIVSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3ncc(C(=O)[O-])s3)CC2)c(F)c1 ZINC001601109356 1095517030 /nfs/dbraw/zinc/51/70/30/1095517030.db2.gz PSNPKTULLXTGFG-UHFFFAOYSA-N -1 0 347.371 2.900 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001601109699 1095517823 /nfs/dbraw/zinc/51/78/23/1095517823.db2.gz IZYAZGZGDYBTON-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)cc1 ZINC001601109756 1095517996 /nfs/dbraw/zinc/51/79/96/1095517996.db2.gz ZDIVHXUXLNESDI-UHFFFAOYSA-N -1 0 343.364 2.613 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001601110635 1095518353 /nfs/dbraw/zinc/51/83/53/1095518353.db2.gz CDZBNJSTDAWAHP-WCQYABFASA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC001601110634 1095518405 /nfs/dbraw/zinc/51/84/05/1095518405.db2.gz CDZBNJSTDAWAHP-DGCLKSJQSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)O[C@H](C(=O)[O-])C3CC3)cc2)nc1 ZINC001601111058 1095518580 /nfs/dbraw/zinc/51/85/80/1095518580.db2.gz PENWQSDBZONUJL-INIZCTEOSA-N -1 0 338.319 2.766 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)CSCc2ccccc2C(=O)[O-])cc1 ZINC001601110424 1095518612 /nfs/dbraw/zinc/51/86/12/1095518612.db2.gz XPKHXTDNAJURJZ-OAHLLOKOSA-N -1 0 343.404 2.930 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(C(=O)[O-])c1 ZINC001601112547 1095518683 /nfs/dbraw/zinc/51/86/83/1095518683.db2.gz BPQRCANIRVABCU-MGPQQGTHSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001601110398 1095518744 /nfs/dbraw/zinc/51/87/44/1095518744.db2.gz WPAULSOCRAMNHP-UHFFFAOYSA-N -1 0 346.726 2.633 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C2 ZINC001601114103 1095519894 /nfs/dbraw/zinc/51/98/94/1095519894.db2.gz JYBZLBQFTXJAHH-AWEZNQCLSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1cccc(C#N)c1NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001601115011 1095520056 /nfs/dbraw/zinc/52/00/56/1095520056.db2.gz KTHVCKAOGVJZCI-OAHLLOKOSA-N -1 0 325.299 2.513 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601114298 1095520416 /nfs/dbraw/zinc/52/04/16/1095520416.db2.gz AAIHRLQARSJEEV-WBVHZDCISA-N -1 0 341.411 2.736 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NC3(C(=O)[O-])CCCCC3)on2)c1 ZINC001601116061 1095521637 /nfs/dbraw/zinc/52/16/37/1095521637.db2.gz IHTMWNAJEBDUBR-UHFFFAOYSA-N -1 0 339.351 2.731 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)c3cc(C(=O)[O-])on3)n2)c1 ZINC001601116189 1095522037 /nfs/dbraw/zinc/52/20/37/1095522037.db2.gz NOYNRMWGYWVZNA-UHFFFAOYSA-N -1 0 340.320 2.620 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CC(=O)c3ccccc32)C(=O)[O-])c1 ZINC001601118354 1095522925 /nfs/dbraw/zinc/52/29/25/1095522925.db2.gz JMTILEANWRODJN-RDJZCZTQSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001601119618 1095523011 /nfs/dbraw/zinc/52/30/11/1095523011.db2.gz VEVXSVCYWPKZLE-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3c2CC(=O)CC3)C(=O)[O-])c1 ZINC001601118726 1095523022 /nfs/dbraw/zinc/52/30/22/1095523022.db2.gz ZJPDRVBYOFKCIK-SFHVURJKSA-N -1 0 349.342 2.599 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2OCCc3ccccc32)C(=O)[O-])c1 ZINC001601119055 1095523132 /nfs/dbraw/zinc/52/31/32/1095523132.db2.gz UHXPHUFROJWHMW-SJORKVTESA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)C(=O)[O-])c1 ZINC001601118133 1095523361 /nfs/dbraw/zinc/52/33/61/1095523361.db2.gz UEVHNKWSMSJXOZ-BBWFWOEESA-N -1 0 337.331 2.736 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCOc3cc(F)ccc3C2)c1 ZINC001601118211 1095523818 /nfs/dbraw/zinc/52/38/18/1095523818.db2.gz IBOQRTBQDBLXGY-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001601119614 1095524129 /nfs/dbraw/zinc/52/41/29/1095524129.db2.gz VBVBNWQQXYMDTF-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1cccc(OCC(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001601121214 1095524805 /nfs/dbraw/zinc/52/48/05/1095524805.db2.gz DRSGBKFQJHQWGZ-UHFFFAOYSA-N -1 0 330.384 2.621 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)CC2)c1 ZINC001601119924 1095524817 /nfs/dbraw/zinc/52/48/17/1095524817.db2.gz BBYYDBLOGSZHOG-SFHVURJKSA-N -1 0 346.386 2.800 20 30 EFEDRM N#Cc1cccc(OCC(=O)O[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001601121089 1095524824 /nfs/dbraw/zinc/52/48/24/1095524824.db2.gz BCPCVNHPZWMKLQ-MRXNPFEDSA-N -1 0 331.368 2.904 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NCc3ccccc3CC(=O)[O-])CC2)c1 ZINC001601120349 1095525273 /nfs/dbraw/zinc/52/52/73/1095525273.db2.gz RJSKBTUJGYFPIC-UHFFFAOYSA-N -1 0 334.375 2.533 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)CC2)c1 ZINC001601119923 1095525582 /nfs/dbraw/zinc/52/55/82/1095525582.db2.gz BBYYDBLOGSZHOG-GOSISDBHSA-N -1 0 346.386 2.800 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001601119619 1095526185 /nfs/dbraw/zinc/52/61/85/1095526185.db2.gz VEVXSVCYWPKZLE-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001601121905 1095526683 /nfs/dbraw/zinc/52/66/83/1095526683.db2.gz YWDGQUYHPXNDAF-DOTOQJQBSA-N -1 0 344.411 2.867 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001601121673 1095527268 /nfs/dbraw/zinc/52/72/68/1095527268.db2.gz RBYCAMORLFESNG-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2Br)n1 ZINC001601123063 1095527466 /nfs/dbraw/zinc/52/74/66/1095527466.db2.gz LPFZQHLLKNCLII-AWEZNQCLSA-N -1 0 346.184 2.631 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC001601124437 1095528377 /nfs/dbraw/zinc/52/83/77/1095528377.db2.gz KYKFOWQMYVFSAH-DLBZAZTESA-N -1 0 326.396 2.908 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001601124475 1095528523 /nfs/dbraw/zinc/52/85/23/1095528523.db2.gz MDAXKOQCJIDWGH-GVDBMIGSSA-N -1 0 332.359 2.877 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC001601124137 1095528733 /nfs/dbraw/zinc/52/87/33/1095528733.db2.gz DLQASASYOXOGAN-GUTXKFCHSA-N -1 0 326.377 2.665 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1 ZINC001601124644 1095529166 /nfs/dbraw/zinc/52/91/66/1095529166.db2.gz PVNHKFPQIGNDOD-YTLBIWTGSA-N -1 0 325.364 2.704 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601124581 1095529201 /nfs/dbraw/zinc/52/92/01/1095529201.db2.gz UCCXNNOWBJLHQY-OXJNMPFZSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)c21 ZINC001601124942 1095529377 /nfs/dbraw/zinc/52/93/77/1095529377.db2.gz ZJXFRAOEEWAHRI-CQSZACIVSA-N -1 0 333.347 2.638 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601124987 1095529462 /nfs/dbraw/zinc/52/94/62/1095529462.db2.gz ASGQCBNCGZDDKL-CMDGGOBGSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c21 ZINC001601124263 1095529584 /nfs/dbraw/zinc/52/95/84/1095529584.db2.gz HXVYJANWHGIECW-UHFFFAOYSA-N -1 0 331.331 2.894 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601126086 1095530831 /nfs/dbraw/zinc/53/08/31/1095530831.db2.gz NOWHYKICSMBICA-BQYQJAHWSA-N -1 0 348.358 2.691 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601125763 1095531052 /nfs/dbraw/zinc/53/10/52/1095531052.db2.gz JSKYFQOWBLUTBO-BQYQJAHWSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1ccnc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC001601127719 1095531135 /nfs/dbraw/zinc/53/11/35/1095531135.db2.gz WCFSCFLCCIUJCZ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccccc1NC(=S)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001601125356 1095531143 /nfs/dbraw/zinc/53/11/43/1095531143.db2.gz GOZOKXQEXQOQBL-IPYPFGDCSA-N -1 0 329.425 2.830 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001601128362 1095531314 /nfs/dbraw/zinc/53/13/14/1095531314.db2.gz KODBKKKGLIOEHS-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001601126892 1095531569 /nfs/dbraw/zinc/53/15/69/1095531569.db2.gz UMJRVLVFONMMJP-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccoc1C(=O)[O-] ZINC001601130995 1095532194 /nfs/dbraw/zinc/53/21/94/1095532194.db2.gz PXDBSAICZHMFDJ-UHFFFAOYSA-N -1 0 347.252 2.849 20 30 EFEDRM N#Cc1csc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001601130446 1095532312 /nfs/dbraw/zinc/53/23/12/1095532312.db2.gz GOUDJHUOCMCLLY-ZIAGYGMSSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1cncc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001601130395 1095532751 /nfs/dbraw/zinc/53/27/51/1095532751.db2.gz GQQWGTHDRTVKBZ-UHFFFAOYSA-N -1 0 331.322 2.708 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Nc2ccc(F)c(C(=O)[O-])c2)C1=O ZINC001601129578 1095532993 /nfs/dbraw/zinc/53/29/93/1095532993.db2.gz JYDFMFMFHIQWBP-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1cnc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001601129970 1095533232 /nfs/dbraw/zinc/53/32/32/1095533232.db2.gz CHZYTHTYDOGPSQ-DTWKUNHWSA-N -1 0 333.697 2.696 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001601132777 1095534002 /nfs/dbraw/zinc/53/40/02/1095534002.db2.gz DBLHJLHCXCFRTE-CQSZACIVSA-N -1 0 329.400 2.685 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1Cc2ccc(Br)cc2C1 ZINC001601132669 1095534178 /nfs/dbraw/zinc/53/41/78/1095534178.db2.gz FDYALYMFHBYRBD-UHFFFAOYSA-N -1 0 344.168 2.934 20 30 EFEDRM N#Cc1cnccc1N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601131767 1095534317 /nfs/dbraw/zinc/53/43/17/1095534317.db2.gz PWVACYQKHMZLIS-LSDHHAIUSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001601132851 1095534479 /nfs/dbraw/zinc/53/44/79/1095534479.db2.gz FVPOQGRRTOVTPO-CYBMUJFWSA-N -1 0 343.770 2.963 20 30 EFEDRM N#Cc1cnccc1NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001601131901 1095534708 /nfs/dbraw/zinc/53/47/08/1095534708.db2.gz WLJKLEFKYLNDMV-INIZCTEOSA-N -1 0 331.375 2.884 20 30 EFEDRM N#Cc1csc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001601132298 1095534908 /nfs/dbraw/zinc/53/49/08/1095534908.db2.gz PPCMGOUTEMMRFG-LBPRGKRZSA-N -1 0 341.314 2.949 20 30 EFEDRM N#Cc1nc(F)ccc1OCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001601134611 1095535989 /nfs/dbraw/zinc/53/59/89/1095535989.db2.gz IUIJGSNYQMPTFW-BAQGIRSFSA-N -1 0 328.299 2.648 20 30 EFEDRM N#Cc1nc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1C(F)(F)F ZINC001601134556 1095536129 /nfs/dbraw/zinc/53/61/29/1095536129.db2.gz UXXZBAUZYMPUOX-RVBZMBCESA-N -1 0 325.290 2.662 20 30 EFEDRM N#Cc1nc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)sc1Cl ZINC001601134494 1095536310 /nfs/dbraw/zinc/53/63/10/1095536310.db2.gz SBJWQSWMCUSTAB-HNNXBMFYSA-N -1 0 333.800 2.901 20 30 EFEDRM N#Cc1sc(NC(=O)NCC2(C(=O)[O-])CCCCC2)nc1Cl ZINC001601136188 1095536429 /nfs/dbraw/zinc/53/64/29/1095536429.db2.gz KQDUIMWCTXOCBC-UHFFFAOYSA-N -1 0 342.808 2.825 20 30 EFEDRM N#Cc1ncc(N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nc1C#N ZINC001601133963 1095536784 /nfs/dbraw/zinc/53/67/84/1095536784.db2.gz AMFLWUXQEQQTPU-HIFRSBDPSA-N -1 0 347.378 2.595 20 30 EFEDRM O=C([O-])[C@H](NC(=O)C#Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC001601224068 1095563005 /nfs/dbraw/zinc/56/30/05/1095563005.db2.gz PREJTBSUKMRPFC-MRXNPFEDSA-N -1 0 331.730 2.773 20 30 EFEDRM O=C([O-])C1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC001601224104 1095563360 /nfs/dbraw/zinc/56/33/60/1095563360.db2.gz QLCVXKMACOPQPP-UHFFFAOYSA-N -1 0 339.313 2.961 20 30 EFEDRM O=C([O-])c1occc1/C=C\C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC001601242306 1095573259 /nfs/dbraw/zinc/57/32/59/1095573259.db2.gz AGDYWXCKSKEBMY-RQOWECAXSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])c1cnn(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC001601379967 1095647530 /nfs/dbraw/zinc/64/75/30/1095647530.db2.gz DMCQMQMPGRYCGH-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001601615690 1095765280 /nfs/dbraw/zinc/76/52/80/1095765280.db2.gz FVHUTGAJHSCRMS-ZWKOTPCHSA-N -1 0 349.390 2.856 20 30 EFEDRM O=C([O-])C1(CON=Cc2cccc(OCc3ccncc3)c2)CC1 ZINC001601710028 1095859217 /nfs/dbraw/zinc/85/92/17/1095859217.db2.gz WMDMKMRJLAFOGE-UHFFFAOYSA-N -1 0 326.352 2.876 20 30 EFEDRM O=C([O-])C[C@@H](NC(=O)C#CC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC001601896482 1095963266 /nfs/dbraw/zinc/96/32/66/1095963266.db2.gz MIYIQEOYBODTAJ-CYBMUJFWSA-N -1 0 341.285 2.631 20 30 EFEDRM O=C([O-])CC1(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CCCC1 ZINC001601915429 1095972861 /nfs/dbraw/zinc/97/28/61/1095972861.db2.gz MAUCYJAILZVEJU-YVMONPNESA-N -1 0 333.359 2.559 20 30 EFEDRM O=C([O-])CCc1csc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)n1 ZINC001602045134 1096034859 /nfs/dbraw/zinc/03/48/59/1096034859.db2.gz BDIAFAOFMCLHOK-CLTKARDFSA-N -1 0 348.355 2.520 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C\c1ccc(C(F)(F)F)[nH]1)C2=O ZINC001602306506 1096169209 /nfs/dbraw/zinc/16/92/09/1096169209.db2.gz WYNCDJQORNTPEM-FNORWQNLSA-N -1 0 325.246 2.598 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1ncccc1C(F)(F)F ZINC001602305682 1096169233 /nfs/dbraw/zinc/16/92/33/1096169233.db2.gz DASGFZWSHGYHQM-UHFFFAOYSA-N -1 0 339.277 2.605 20 30 EFEDRM O=C([O-])c1ccc(Br)c(NN=C2CCCn3nccc32)c1 ZINC001602313669 1096174313 /nfs/dbraw/zinc/17/43/13/1096174313.db2.gz AGEKRXRBKOZNGK-UHFFFAOYSA-N -1 0 349.188 2.954 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl ZINC001602331208 1096182337 /nfs/dbraw/zinc/18/23/37/1096182337.db2.gz UPJNRCGFKUOATL-UHFFFAOYSA-N -1 0 349.774 2.627 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc1 ZINC001602382347 1096216284 /nfs/dbraw/zinc/21/62/84/1096216284.db2.gz IHGAYFJGLJUPGV-UHFFFAOYSA-N -1 0 331.200 2.921 20 30 EFEDRM O=C([O-])c1cccc(Br)c1CON=C[C@@H]1CCCO1 ZINC001602430387 1096222369 /nfs/dbraw/zinc/22/23/69/1096222369.db2.gz HWRKBRLROOJLTC-VIFPVBQESA-N -1 0 328.162 2.829 20 30 EFEDRM O=C([O-])c1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 ZINC001602432835 1096241900 /nfs/dbraw/zinc/24/19/00/1096241900.db2.gz OOZFWPNLMIWMQD-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM O=C([O-])c1cccc(/C=C/C(=O)c2c(Cl)nc3ccccn32)n1 ZINC001602434535 1096243122 /nfs/dbraw/zinc/24/31/22/1096243122.db2.gz VDWONYDPPRNGPV-BQYQJAHWSA-N -1 0 327.727 2.977 20 30 EFEDRM O=C([O-])c1cnc([C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)s1 ZINC001602509222 1096274567 /nfs/dbraw/zinc/27/45/67/1096274567.db2.gz DSCFZUUFIAYKSY-CQSZACIVSA-N -1 0 340.404 2.599 20 30 EFEDRM O=C([O-])c1ncc(C(F)(F)F)cc1NC(=O)C(F)(F)C(F)F ZINC001602570884 1096305165 /nfs/dbraw/zinc/30/51/65/1096305165.db2.gz MGQWWYWSVQZLQG-UHFFFAOYSA-N -1 0 334.147 2.638 20 30 EFEDRM O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001602630706 1096333212 /nfs/dbraw/zinc/33/32/12/1096333212.db2.gz ASTKWUKFZJAHSA-OAHLLOKOSA-N -1 0 335.787 2.803 20 30 EFEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(O)c1 ZINC001213194882 1096338152 /nfs/dbraw/zinc/33/81/52/1096338152.db2.gz XHJHEZXNBWDNOL-UHFFFAOYSA-N -1 0 325.324 2.811 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001602671307 1096344983 /nfs/dbraw/zinc/34/49/83/1096344983.db2.gz QMKCXPWLIYSKKF-ZDUSSCGKSA-N -1 0 329.400 2.908 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602673672 1096345748 /nfs/dbraw/zinc/34/57/48/1096345748.db2.gz IXPXTNJZVUPVGV-HNNXBMFYSA-N -1 0 327.315 2.723 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001602674551 1096346526 /nfs/dbraw/zinc/34/65/26/1096346526.db2.gz RJEYLXFLTANITM-CYBMUJFWSA-N -1 0 329.743 2.929 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001602678178 1096347603 /nfs/dbraw/zinc/34/76/03/1096347603.db2.gz KLLYAZGMVCKVIH-CQSZACIVSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(Br)cc1 ZINC001602677722 1096348430 /nfs/dbraw/zinc/34/84/30/1096348430.db2.gz ALYLOTXAJLQQNU-CQSZACIVSA-N -1 0 347.212 2.950 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001602678928 1096348556 /nfs/dbraw/zinc/34/85/56/1096348556.db2.gz SHDVWDXWFAYUQN-AWEZNQCLSA-N -1 0 349.795 2.691 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC(C)C ZINC001602683292 1096349558 /nfs/dbraw/zinc/34/95/58/1096349558.db2.gz NSJUIPOCPYADIW-AWEZNQCLSA-N -1 0 332.448 2.752 20 30 EFEDRM C#CC[C@H](NC(=O)CSc1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC001602687368 1096350072 /nfs/dbraw/zinc/35/00/72/1096350072.db2.gz MGNBBCCELQMRAS-HNNXBMFYSA-N -1 0 339.416 2.623 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602692647 1096351252 /nfs/dbraw/zinc/35/12/52/1096351252.db2.gz QMODMOPYMYOKJS-ZDUSSCGKSA-N -1 0 348.811 2.599 20 30 EFEDRM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001602689120 1096351543 /nfs/dbraw/zinc/35/15/43/1096351543.db2.gz CAUWSSZWPJYITE-GFCCVEGCSA-N -1 0 348.366 2.802 20 30 EFEDRM C#CC[C@@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001602692801 1096351976 /nfs/dbraw/zinc/35/19/76/1096351976.db2.gz SRVJQYXRFACETP-GOSISDBHSA-N -1 0 336.391 2.878 20 30 EFEDRM C#CCC1(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001602699698 1096352543 /nfs/dbraw/zinc/35/25/43/1096352543.db2.gz HLNRJGVSOVFYFC-UHFFFAOYSA-N -1 0 335.425 2.530 20 30 EFEDRM C#CCCCCCC(=O)NC(C)(C)c1cccc(-c2nn[nH]n2)c1 ZINC001602709756 1096354756 /nfs/dbraw/zinc/35/47/56/1096354756.db2.gz JBKPQHXNTYHGBC-UHFFFAOYSA-N -1 0 325.416 2.802 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001602708385 1096354904 /nfs/dbraw/zinc/35/49/04/1096354904.db2.gz PCGLCTRZBJVDDG-UHFFFAOYSA-N -1 0 344.392 2.910 20 30 EFEDRM C#CCCCC(=O)OCc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001602706009 1096355691 /nfs/dbraw/zinc/35/56/91/1096355691.db2.gz JMAQMEUIZZCZHR-UHFFFAOYSA-N -1 0 338.289 2.732 20 30 EFEDRM C#CCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001602726455 1096356377 /nfs/dbraw/zinc/35/63/77/1096356377.db2.gz QETHCDDHRBDSIR-JTQLQIEISA-N -1 0 341.816 2.884 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001602734391 1096358116 /nfs/dbraw/zinc/35/81/16/1096358116.db2.gz RWWLWKDTONUXNL-VMPITWQZSA-N -1 0 329.283 2.781 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001602734212 1096358612 /nfs/dbraw/zinc/35/86/12/1096358612.db2.gz IAVNBXABFXDBPZ-JTQLQIEISA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001602734058 1096358618 /nfs/dbraw/zinc/35/86/18/1096358618.db2.gz ILZWRIWEPLSXSK-CQSZACIVSA-N -1 0 348.374 2.993 20 30 EFEDRM C#Cc1cccc(NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001602743266 1096359391 /nfs/dbraw/zinc/35/93/91/1096359391.db2.gz KVINEAUOJVQAHP-FQEVSTJZSA-N -1 0 334.375 2.928 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001602739880 1096359710 /nfs/dbraw/zinc/35/97/10/1096359710.db2.gz QMQCAAXEVMSWQI-GFCCVEGCSA-N -1 0 326.377 2.566 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001602738236 1096360273 /nfs/dbraw/zinc/36/02/73/1096360273.db2.gz PVKPQQWNNVSFMI-JHJVBQTASA-N -1 0 348.374 2.991 20 30 EFEDRM C=C(C)[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001602747290 1096361083 /nfs/dbraw/zinc/36/10/83/1096361083.db2.gz NFNDEHGHFVOISC-CYBMUJFWSA-N -1 0 347.383 2.612 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001602747573 1096361867 /nfs/dbraw/zinc/36/18/67/1096361867.db2.gz VYKOAFODENUQLT-CYBMUJFWSA-N -1 0 332.400 2.762 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(COc2ccccc2F)on1)C(=O)[O-] ZINC001602748445 1096361928 /nfs/dbraw/zinc/36/19/28/1096361928.db2.gz ABWIEIOUVDOYDO-CQSZACIVSA-N -1 0 348.330 2.542 20 30 EFEDRM C=C(C)C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001602750316 1096362932 /nfs/dbraw/zinc/36/29/32/1096362932.db2.gz QQYJLDPSKDESTI-INIZCTEOSA-N -1 0 326.396 2.906 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(Br)s1)C(=O)[O-] ZINC001602749286 1096363098 /nfs/dbraw/zinc/36/30/98/1096363098.db2.gz SCGFBMDMZINUNX-SECBINFHSA-N -1 0 332.219 2.589 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC001602754284 1096363181 /nfs/dbraw/zinc/36/31/81/1096363181.db2.gz CJJUCTPIMUOEOC-OAHLLOKOSA-N -1 0 347.802 2.734 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001602750217 1096363510 /nfs/dbraw/zinc/36/35/10/1096363510.db2.gz PJBYDHFXNDBINP-ZDUSSCGKSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)O[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1 ZINC001602750818 1096363517 /nfs/dbraw/zinc/36/35/17/1096363517.db2.gz YSGSZCYXDDGVSN-QFSBIZTOSA-N -1 0 341.404 2.642 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC001602754283 1096363726 /nfs/dbraw/zinc/36/37/26/1096363726.db2.gz CJJUCTPIMUOEOC-HNNXBMFYSA-N -1 0 347.802 2.734 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001602761742 1096364770 /nfs/dbraw/zinc/36/47/70/1096364770.db2.gz BLFHKMMSMNPKHU-AWEZNQCLSA-N -1 0 330.428 2.556 20 30 EFEDRM C=C(C)C[C@H]1NC(=O)N([C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602757754 1096365130 /nfs/dbraw/zinc/36/51/30/1096365130.db2.gz VQCUHNZUDPNRJZ-ZIAGYGMSSA-N -1 0 330.384 2.725 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cccc(O[C@@H](C)CC)c1)C(=O)[O-] ZINC001602757790 1096365312 /nfs/dbraw/zinc/36/53/12/1096365312.db2.gz WCWGOLJEOQNUMF-SWLSCSKDSA-N -1 0 341.429 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC001602754776 1096365386 /nfs/dbraw/zinc/36/53/86/1096365386.db2.gz UUUVUDAESKZHHA-OAHLLOKOSA-N -1 0 346.408 2.871 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)C2CCC2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602766330 1096365655 /nfs/dbraw/zinc/36/56/55/1096365655.db2.gz YQMYANNXXCJQPI-VNHYZAJKSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602765667 1096365969 /nfs/dbraw/zinc/36/59/69/1096365969.db2.gz GLWCFWOGAAUUPV-QGZVFWFLSA-N -1 0 330.388 2.805 20 30 EFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCC1CCS(=O)(=O)CC1 ZINC001602764657 1096366419 /nfs/dbraw/zinc/36/64/19/1096366419.db2.gz JUPIKVWNEGRAEA-UHFFFAOYSA-N -1 0 338.425 2.707 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC001602774578 1096367036 /nfs/dbraw/zinc/36/70/36/1096367036.db2.gz QXZYAABLSPSPTQ-UHFFFAOYSA-N -1 0 335.375 2.754 20 30 EFEDRM C=C(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001602772465 1096367087 /nfs/dbraw/zinc/36/70/87/1096367087.db2.gz ZKEZUQIAUUKYPI-AWEZNQCLSA-N -1 0 333.384 2.571 20 30 EFEDRM C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602768643 1096367456 /nfs/dbraw/zinc/36/74/56/1096367456.db2.gz KBGNMRXEAUMDAS-GOSISDBHSA-N -1 0 332.448 2.888 20 30 EFEDRM C=C(CC)C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001602772093 1096367641 /nfs/dbraw/zinc/36/76/41/1096367641.db2.gz KHRKUBNDXRYBMM-AWEZNQCLSA-N -1 0 326.190 2.831 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001602782177 1096368569 /nfs/dbraw/zinc/36/85/69/1096368569.db2.gz JQRYGPHIKLCWOC-LLVKDONJSA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001602781866 1096368760 /nfs/dbraw/zinc/36/87/60/1096368760.db2.gz DZFPKTPIJSNBBK-GFCCVEGCSA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001602776748 1096369386 /nfs/dbraw/zinc/36/93/86/1096369386.db2.gz WMGVFCDDSMFXIU-LBPRGKRZSA-N -1 0 334.441 2.759 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001602776246 1096369752 /nfs/dbraw/zinc/36/97/52/1096369752.db2.gz OTVPJWQQXGPWJM-UHFFFAOYSA-N -1 0 329.352 2.935 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1cnc(SC2CCCC2)nc1 ZINC001602783919 1096370235 /nfs/dbraw/zinc/37/02/35/1096370235.db2.gz KHKMCPGMGWVYGV-UHFFFAOYSA-N -1 0 349.456 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C ZINC001602786201 1096370645 /nfs/dbraw/zinc/37/06/45/1096370645.db2.gz ZIUDZSXLPYOJDL-UHFFFAOYSA-N -1 0 335.310 2.725 20 30 EFEDRM C=CC(C)(C)CCNC(=O)Cc1c(C)cc(-c2nn[nH]n2)cc1C ZINC001602786861 1096370867 /nfs/dbraw/zinc/37/08/67/1096370867.db2.gz NNSSJPLXNAXNLB-UHFFFAOYSA-N -1 0 327.432 2.745 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC001602786989 1096370890 /nfs/dbraw/zinc/37/08/90/1096370890.db2.gz UEBXTQKDNFSKKO-UHFFFAOYSA-N -1 0 334.449 2.672 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001602785701 1096370934 /nfs/dbraw/zinc/37/09/34/1096370934.db2.gz GCABFZINZVWGMY-UHFFFAOYSA-N -1 0 342.395 2.735 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC001602783758 1096371254 /nfs/dbraw/zinc/37/12/54/1096371254.db2.gz ZISHFUPOTSVJIG-MRXNPFEDSA-N -1 0 342.395 2.648 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1C(=O)NCCC ZINC001602786157 1096371274 /nfs/dbraw/zinc/37/12/74/1096371274.db2.gz XDQDUFKUKZUFAB-UHFFFAOYSA-N -1 0 338.791 2.839 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)CC1 ZINC001602792457 1096371905 /nfs/dbraw/zinc/37/19/05/1096371905.db2.gz YXMPOGLAALGCPF-UHFFFAOYSA-N -1 0 341.404 2.857 20 30 EFEDRM C=C[C@H](C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001602803615 1096373369 /nfs/dbraw/zinc/37/33/69/1096373369.db2.gz FSFMQZNTEXAABE-DLBZAZTESA-N -1 0 343.354 2.744 20 30 EFEDRM C=C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1)c1ccccc1 ZINC001602802139 1096374470 /nfs/dbraw/zinc/37/44/70/1096374470.db2.gz WYURMFJJYBFHNI-WMLDXEAASA-N -1 0 341.363 2.613 20 30 EFEDRM C=C[C@@H](C)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602813383 1096376025 /nfs/dbraw/zinc/37/60/25/1096376025.db2.gz XBXHYUZUPXOUJW-SNVBAGLBSA-N -1 0 331.397 2.882 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001602826631 1096376935 /nfs/dbraw/zinc/37/69/35/1096376935.db2.gz FMTOOLDPDSCDQU-CQSZACIVSA-N -1 0 331.324 2.666 20 30 EFEDRM C=C[C@H](Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)C(=O)[O-] ZINC001602821057 1096377294 /nfs/dbraw/zinc/37/72/94/1096377294.db2.gz TXLXMFSUKSOVEH-ZDUSSCGKSA-N -1 0 340.807 2.638 20 30 EFEDRM C=C[C@@H](Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1)C(=O)[O-] ZINC001602821056 1096377495 /nfs/dbraw/zinc/37/74/95/1096377495.db2.gz TXLXMFSUKSOVEH-CYBMUJFWSA-N -1 0 340.807 2.638 20 30 EFEDRM C=C[C@@H](Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC001602820284 1096378124 /nfs/dbraw/zinc/37/81/24/1096378124.db2.gz GHQXBDDQNKFFGA-MRXNPFEDSA-N -1 0 347.392 2.934 20 30 EFEDRM C=CC[C@@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001602829688 1096378707 /nfs/dbraw/zinc/37/87/07/1096378707.db2.gz UZPCWWVOISIJFU-CABCVRRESA-N -1 0 330.409 2.615 20 30 EFEDRM C=CCC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833458 1096378757 /nfs/dbraw/zinc/37/87/57/1096378757.db2.gz MWEASWTUBVAYOU-CYBMUJFWSA-N -1 0 332.371 2.648 20 30 EFEDRM C=C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)[O-] ZINC001602828933 1096379417 /nfs/dbraw/zinc/37/94/17/1096379417.db2.gz SBTUBZFJFJOCFZ-NSHDSACASA-N -1 0 339.804 2.779 20 30 EFEDRM C=CC[C@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001602829689 1096380147 /nfs/dbraw/zinc/38/01/47/1096380147.db2.gz UZPCWWVOISIJFU-GJZGRUSLSA-N -1 0 330.409 2.615 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602845564 1096382517 /nfs/dbraw/zinc/38/25/17/1096382517.db2.gz QWMHTMCKSUQXSR-CABZTGNLSA-N -1 0 325.342 2.648 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001602841942 1096382669 /nfs/dbraw/zinc/38/26/69/1096382669.db2.gz AQDIRMBFYZVNRK-JTQLQIEISA-N -1 0 348.143 2.902 20 30 EFEDRM C=CC[C@H](OC(=O)CSc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC001602845654 1096382686 /nfs/dbraw/zinc/38/26/86/1096382686.db2.gz SJAKRCXLDIQEAE-VIFPVBQESA-N -1 0 335.303 2.765 20 30 EFEDRM C=CC[C@@H](Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)[O-] ZINC001602844261 1096382776 /nfs/dbraw/zinc/38/27/76/1096382776.db2.gz ACUNNFLFLDKIKG-CYBMUJFWSA-N -1 0 333.413 2.574 20 30 EFEDRM C=CCC(F)(F)C(=O)O[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602842360 1096383328 /nfs/dbraw/zinc/38/33/28/1096383328.db2.gz HQOAEUXMWMAMLH-MRVPVSSYSA-N -1 0 347.339 2.836 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nc(CC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602849198 1096383791 /nfs/dbraw/zinc/38/37/91/1096383791.db2.gz MAPULVFCQPFKHG-GFCCVEGCSA-N -1 0 349.774 2.669 20 30 EFEDRM C=CCC1(O)CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001602851323 1096384312 /nfs/dbraw/zinc/38/43/12/1096384312.db2.gz HNBSYMTZXFCGMB-UHFFFAOYSA-N -1 0 340.763 2.854 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001602851410 1096384441 /nfs/dbraw/zinc/38/44/41/1096384441.db2.gz KELDZCPMRZBZIU-UHFFFAOYSA-N -1 0 345.367 2.830 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001602856091 1096385524 /nfs/dbraw/zinc/38/55/24/1096385524.db2.gz SYPGRCOLMONLSW-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)c1ccccc1 ZINC001602856205 1096385848 /nfs/dbraw/zinc/38/58/48/1096385848.db2.gz YFSNPBMXYGJCLC-YESZJQIVSA-N -1 0 331.412 2.590 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602855685 1096386339 /nfs/dbraw/zinc/38/63/39/1096386339.db2.gz XIPHEYWSFVJNBD-NEPJUHHUSA-N -1 0 332.404 2.784 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)C1 ZINC001602854965 1096386684 /nfs/dbraw/zinc/38/66/84/1096386684.db2.gz CQCBYHOXGOGMBG-CQSZACIVSA-N -1 0 346.427 2.934 20 30 EFEDRM C=CCC[C@H]1CCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001602860671 1096387187 /nfs/dbraw/zinc/38/71/87/1096387187.db2.gz LKLYCUINRUMDQS-ZDUSSCGKSA-N -1 0 327.384 2.964 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001602860766 1096387497 /nfs/dbraw/zinc/38/74/97/1096387497.db2.gz PDCJPEWKQILGFB-NSHDSACASA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1ccccc1 ZINC001602857274 1096387656 /nfs/dbraw/zinc/38/76/56/1096387656.db2.gz PBVDSSYWHYUDOI-HNNXBMFYSA-N -1 0 348.424 2.709 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001602857183 1096388441 /nfs/dbraw/zinc/38/84/41/1096388441.db2.gz MZBXAWDLGOPZLJ-UHFFFAOYSA-N -1 0 332.400 2.747 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001602862883 1096389314 /nfs/dbraw/zinc/38/93/14/1096389314.db2.gz JHXHOEXFEXSFSY-XIKOKIGWSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001602863865 1096389563 /nfs/dbraw/zinc/38/95/63/1096389563.db2.gz URZUDEUZXFGDRI-CHWSQXEVSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2ccccn2)nc1)C(=O)[O-] ZINC001602873138 1096390094 /nfs/dbraw/zinc/39/00/94/1096390094.db2.gz ZUQWLBGDICFDJM-MRXNPFEDSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602872924 1096390721 /nfs/dbraw/zinc/39/07/21/1096390721.db2.gz XOQUMBVDQPDRBF-LLVKDONJSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])nn1 ZINC001602884878 1096391380 /nfs/dbraw/zinc/39/13/80/1096391380.db2.gz UICBZRNSZURMGW-UHFFFAOYSA-N -1 0 344.371 2.592 20 30 EFEDRM C=CCN(CC=C)C(=O)Cn1ncc2ccc(Cl)c(C(=O)[O-])c21 ZINC001602887736 1096391769 /nfs/dbraw/zinc/39/17/69/1096391769.db2.gz LYJIINFFJSQSJG-UHFFFAOYSA-N -1 0 333.775 2.589 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)nn1 ZINC001602884921 1096392070 /nfs/dbraw/zinc/39/20/70/1096392070.db2.gz WPEHJOSFCURVFH-UHFFFAOYSA-N -1 0 338.726 2.597 20 30 EFEDRM C=CCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001602880692 1096392288 /nfs/dbraw/zinc/39/22/88/1096392288.db2.gz YAWDMPBFPOVEHK-UHFFFAOYSA-N -1 0 328.372 2.919 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001602887903 1096393334 /nfs/dbraw/zinc/39/33/34/1096393334.db2.gz YPNHZKGWPCFCSP-UHFFFAOYSA-N -1 0 331.393 2.877 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001602894766 1096393894 /nfs/dbraw/zinc/39/38/94/1096393894.db2.gz XXZCZPVKEDCFDZ-UHFFFAOYSA-N -1 0 341.410 2.725 20 30 EFEDRM C=CCN(CCc1ccco1)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001602893795 1096394133 /nfs/dbraw/zinc/39/41/33/1096394133.db2.gz LJDXJQNPHJTUSU-KRWDZBQOSA-N -1 0 343.379 2.923 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001602904588 1096394979 /nfs/dbraw/zinc/39/49/79/1096394979.db2.gz GQAGKQZQWPPWPW-ZDUSSCGKSA-N -1 0 332.381 2.594 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001602906229 1096397095 /nfs/dbraw/zinc/39/70/95/1096397095.db2.gz BRBGDFVQHXSABQ-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C)C(=O)[O-] ZINC001602910270 1096398279 /nfs/dbraw/zinc/39/82/79/1096398279.db2.gz SVJAPKYIWRFQPJ-FMKPAKJESA-N -1 0 331.412 2.748 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001602912687 1096399326 /nfs/dbraw/zinc/39/93/26/1096399326.db2.gz BAXQCRBNOGOUMR-LLVKDONJSA-N -1 0 339.800 2.940 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(Cl)cn2)o1 ZINC001602912957 1096399757 /nfs/dbraw/zinc/39/97/57/1096399757.db2.gz ZSTAYWIYQJJHOS-UHFFFAOYSA-N -1 0 346.782 2.863 20 30 EFEDRM C=CCOc1ccc(Br)cc1NC(=O)C1(C(=O)[O-])CC1 ZINC001602920408 1096400054 /nfs/dbraw/zinc/40/00/54/1096400054.db2.gz AZKHOLNUIHVKSW-UHFFFAOYSA-N -1 0 340.173 2.817 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)C2CC(F)(F)C2)o1 ZINC001602912950 1096400183 /nfs/dbraw/zinc/40/01/83/1096400183.db2.gz ZKBVOQHZSUFHBI-UHFFFAOYSA-N -1 0 325.323 2.811 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(CC)on1 ZINC001602926048 1096400824 /nfs/dbraw/zinc/40/08/24/1096400824.db2.gz MZDBBGOTPPMSRJ-UHFFFAOYSA-N -1 0 331.324 2.892 20 30 EFEDRM C=CCc1cc([C@H]2C(C(=O)[O-])=C(C)N(C)C(=O)N2C)cc(OC)c1O ZINC001602926702 1096401067 /nfs/dbraw/zinc/40/10/67/1096401067.db2.gz IRGWBUFAYZLALF-HNNXBMFYSA-N -1 0 346.383 2.526 20 30 EFEDRM C=CC[S@](=O)(=NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001602925120 1096401108 /nfs/dbraw/zinc/40/11/08/1096401108.db2.gz RHPPYUDXIKFJQS-HSZRJFAPSA-N -1 0 330.365 2.633 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](OC)C1CCC1 ZINC001602926208 1096401383 /nfs/dbraw/zinc/40/13/83/1096401383.db2.gz VQSWTHCUTIYYKT-INIZCTEOSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001602921545 1096401552 /nfs/dbraw/zinc/40/15/52/1096401552.db2.gz ACWGBQWRWZBWNE-MRXNPFEDSA-N -1 0 344.411 2.648 20 30 EFEDRM C=CCn1c([C@@H](C)C(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602930810 1096402127 /nfs/dbraw/zinc/40/21/27/1096402127.db2.gz FSSUAIPTTROAGF-AEGPPILISA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602931032 1096402773 /nfs/dbraw/zinc/40/27/73/1096402773.db2.gz JPDPRXHNTOTQNJ-SFHVURJKSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602931733 1096402972 /nfs/dbraw/zinc/40/29/72/1096402972.db2.gz AJLWEYNPYWLCCH-SNUQEOBHSA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C)(F)F ZINC001602937263 1096403583 /nfs/dbraw/zinc/40/35/83/1096403583.db2.gz SRTKAMQZXZXJBI-NSHDSACASA-N -1 0 328.363 2.657 20 30 EFEDRM C=CCn1cnnc1SCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001602940658 1096403630 /nfs/dbraw/zinc/40/36/30/1096403630.db2.gz OZWFXPAALLUACT-YVMONPNESA-N -1 0 331.397 2.733 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc21 ZINC001602939791 1096403841 /nfs/dbraw/zinc/40/38/41/1096403841.db2.gz CMQNISZSFNLHGK-SFHVURJKSA-N -1 0 342.399 2.941 20 30 EFEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602940567 1096403967 /nfs/dbraw/zinc/40/39/67/1096403967.db2.gz OFYBJBLQUPUJLO-SNVBAGLBSA-N -1 0 344.318 2.796 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001602941950 1096404177 /nfs/dbraw/zinc/40/41/77/1096404177.db2.gz QHJYZOKTJWSIOY-MNOVXSKESA-N -1 0 328.727 2.642 20 30 EFEDRM C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C(F)(F)c1ccccc1 ZINC001602937359 1096404217 /nfs/dbraw/zinc/40/42/17/1096404217.db2.gz WVVRFPJDGRDEAF-GFCCVEGCSA-N -1 0 348.353 2.515 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001602937164 1096404247 /nfs/dbraw/zinc/40/42/47/1096404247.db2.gz PQBSVPNYMZLKPF-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM CC#CCN(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001602947506 1096404884 /nfs/dbraw/zinc/40/48/84/1096404884.db2.gz YRMXLIGDCWKEEP-UHFFFAOYSA-N -1 0 343.152 2.773 20 30 EFEDRM CC#CCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001602946721 1096405390 /nfs/dbraw/zinc/40/53/90/1096405390.db2.gz DOQKOMCPLUMKQB-AWEZNQCLSA-N -1 0 338.201 2.885 20 30 EFEDRM C/C(=C\CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(=O)[O-] ZINC001602967944 1096410112 /nfs/dbraw/zinc/41/01/12/1096410112.db2.gz MMYXPUSDIPPECJ-RIYZIHGNSA-N -1 0 329.400 2.757 20 30 EFEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc2c(c1)NC(=O)CO2 ZINC001602992093 1096418250 /nfs/dbraw/zinc/41/82/50/1096418250.db2.gz FZAVAURNNLLFNJ-UHFFFAOYSA-N -1 0 339.351 2.860 20 30 EFEDRM CC(C)(C)[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)c2ccccc21 ZINC001603067981 1096431284 /nfs/dbraw/zinc/43/12/84/1096431284.db2.gz VZPOEFUEOQOREU-LBPRGKRZSA-N -1 0 346.398 2.810 20 30 EFEDRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC001603103569 1096442079 /nfs/dbraw/zinc/44/20/79/1096442079.db2.gz QUZFJYQFSRICNL-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001603108064 1096444657 /nfs/dbraw/zinc/44/46/57/1096444657.db2.gz ZBKKUFSVFMVCGK-UHFFFAOYSA-N -1 0 338.363 2.861 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001603132320 1096454794 /nfs/dbraw/zinc/45/47/94/1096454794.db2.gz WZLZQUAIVFUBEM-RWMBFGLXSA-N -1 0 331.372 2.742 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)c1ccccc1 ZINC001603187991 1096468834 /nfs/dbraw/zinc/46/88/34/1096468834.db2.gz RFFOSNIBDIDAEY-WCQGTBRESA-N -1 0 343.305 2.592 20 30 EFEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC001603209616 1096474230 /nfs/dbraw/zinc/47/42/30/1096474230.db2.gz TWWSIPDBEJUKPO-CZUORRHYSA-N -1 0 330.384 2.569 20 30 EFEDRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])nc1)c1cc(F)cc(C#N)c1 ZINC001603239001 1096480375 /nfs/dbraw/zinc/48/03/75/1096480375.db2.gz DPTXKLYGSKKOIY-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM CC(C)(C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001603238249 1096480490 /nfs/dbraw/zinc/48/04/90/1096480490.db2.gz RXMSUBUGDONYMG-UHFFFAOYSA-N -1 0 336.391 2.779 20 30 EFEDRM CC(C)(C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001603239026 1096480830 /nfs/dbraw/zinc/48/08/30/1096480830.db2.gz GDOBUEYXAQXTTR-ABAIWWIYSA-N -1 0 332.375 2.735 20 30 EFEDRM CC(C)(C)C1CCC(C#N)(NC(=O)Cc2ccc(C(=O)[O-])nc2)CC1 ZINC001603316496 1096503345 /nfs/dbraw/zinc/50/33/45/1096503345.db2.gz UKUBTSVGQWRIPR-UHFFFAOYSA-N -1 0 343.427 2.937 20 30 EFEDRM CC(C)OC1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1 ZINC001603347167 1096510732 /nfs/dbraw/zinc/51/07/32/1096510732.db2.gz KFBQRBVBYISPHW-UHFFFAOYSA-N -1 0 333.396 2.508 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCC[C@H]2CCCO)o1 ZINC001603406725 1096521670 /nfs/dbraw/zinc/52/16/70/1096521670.db2.gz ZAHWXGQAKGIIDE-NSHDSACASA-N -1 0 347.423 2.709 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CS[C@@H](C(C)C)C2)o1 ZINC001603407040 1096521918 /nfs/dbraw/zinc/52/19/18/1096521918.db2.gz KORVZXVOWIEVSI-SNVBAGLBSA-N -1 0 335.437 2.908 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCC[C@@H]2CCCO)o1 ZINC001603406723 1096521965 /nfs/dbraw/zinc/52/19/65/1096521965.db2.gz ZAHWXGQAKGIIDE-LLVKDONJSA-N -1 0 347.423 2.709 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3occc32)o1 ZINC001603406527 1096522102 /nfs/dbraw/zinc/52/21/02/1096522102.db2.gz QEIFRIUPRFCCPU-UHFFFAOYSA-N -1 0 327.348 2.724 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001603576055 1096557391 /nfs/dbraw/zinc/55/73/91/1096557391.db2.gz WWPGEXCYMALQBT-UHFFFAOYSA-N -1 0 346.408 2.756 20 30 EFEDRM CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)c1ccc2c(c1)OCO2 ZINC001603647676 1096575969 /nfs/dbraw/zinc/57/59/69/1096575969.db2.gz MKRVOCPWKMEJEY-UHFFFAOYSA-N -1 0 339.351 2.770 20 30 EFEDRM CC(C)[C@@H]1C[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001603750636 1096612926 /nfs/dbraw/zinc/61/29/26/1096612926.db2.gz RABPOCNSUMKFKN-WBMJQRKESA-N -1 0 331.368 2.751 20 30 EFEDRM CC(C)Cn1nccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603866489 1096648205 /nfs/dbraw/zinc/64/82/05/1096648205.db2.gz RHRVDIFYHVFZKY-YVMONPNESA-N -1 0 328.368 2.899 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603935419 1096674431 /nfs/dbraw/zinc/67/44/31/1096674431.db2.gz OUHRDRPPHJONTG-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)n1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC001604043580 1096708821 /nfs/dbraw/zinc/70/88/21/1096708821.db2.gz UEXYIUIKYDLPTB-ZDUSSCGKSA-N -1 0 347.758 2.972 20 30 EFEDRM CCCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccccn1 ZINC001604120723 1096743724 /nfs/dbraw/zinc/74/37/24/1096743724.db2.gz XPOUZFDIGINXNG-UHFFFAOYSA-N -1 0 340.391 2.989 20 30 EFEDRM C[C@@H](CCC#N)c1nnc(N(C)Cc2ccc(C(=O)[O-])cc2)n1C ZINC001604131092 1096746120 /nfs/dbraw/zinc/74/61/20/1096746120.db2.gz ZBWMICBVGYOSLL-LBPRGKRZSA-N -1 0 327.388 2.557 20 30 EFEDRM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(C(=O)[O-])nc1C#N ZINC001604131204 1096746389 /nfs/dbraw/zinc/74/63/89/1096746389.db2.gz GIICRHCYFVMKCV-QLJPJBMISA-N -1 0 329.331 2.715 20 30 EFEDRM C[C@@H](CCNc1ccc(C(=O)[O-])nc1C#N)N(C)C(=O)OC(C)(C)C ZINC001604141147 1096749765 /nfs/dbraw/zinc/74/97/65/1096749765.db2.gz DVLSLACLTNJIGH-NSHDSACASA-N -1 0 348.403 2.709 20 30 EFEDRM CC(CN1Cc2ccccc2C1=O)N=Nc1cccc(F)c1C(=O)[O-] ZINC001604168612 1096759957 /nfs/dbraw/zinc/75/99/57/1096759957.db2.gz LCNSUPGSCJRAKO-UHFFFAOYSA-N -1 0 341.342 2.968 20 30 EFEDRM CCCCCCCCCNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001604176155 1096762144 /nfs/dbraw/zinc/76/21/44/1096762144.db2.gz QNOUDGOSBFWTHS-UHFFFAOYSA-N -1 0 346.435 2.756 20 30 EFEDRM C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1nc(-c2ccccc2)no1 ZINC001604191518 1096768241 /nfs/dbraw/zinc/76/82/41/1096768241.db2.gz XHCXFYDEUPGMJJ-NSHDSACASA-N -1 0 349.350 2.917 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001604217929 1096776014 /nfs/dbraw/zinc/77/60/14/1096776014.db2.gz SNMRSBOBHLSLHM-XYPHTWIQSA-N -1 0 328.412 2.887 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001604218036 1096776090 /nfs/dbraw/zinc/77/60/90/1096776090.db2.gz XEBLFAQPVKPSRS-NKGKWGDASA-N -1 0 340.423 2.839 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001604217867 1096776264 /nfs/dbraw/zinc/77/62/64/1096776264.db2.gz RHWFNHGPLJVWBE-RHSMWYFYSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001604218038 1096776467 /nfs/dbraw/zinc/77/64/67/1096776467.db2.gz XEBLFAQPVKPSRS-XFKAJCMBSA-N -1 0 340.423 2.839 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1)C(=O)[O-] ZINC001604229346 1096780796 /nfs/dbraw/zinc/78/07/96/1096780796.db2.gz XUIGMWUDOZPMDX-AWEZNQCLSA-N -1 0 337.375 2.546 20 30 EFEDRM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001604269600 1096791367 /nfs/dbraw/zinc/79/13/67/1096791367.db2.gz JNZWGCSTWQHLQH-SNVBAGLBSA-N -1 0 329.381 2.523 20 30 EFEDRM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001604269599 1096791611 /nfs/dbraw/zinc/79/16/11/1096791611.db2.gz JNZWGCSTWQHLQH-JTQLQIEISA-N -1 0 329.381 2.523 20 30 EFEDRM C[C@@](O)(C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC001604367641 1096830733 /nfs/dbraw/zinc/83/07/33/1096830733.db2.gz WJGVYOOUBBQEFD-NRFANRHFSA-N -1 0 349.386 2.884 20 30 EFEDRM C[C@@H](ON=C(N)c1ccc(C(F)(F)F)s1)c1nc(C(=O)[O-])co1 ZINC001604425556 1096848675 /nfs/dbraw/zinc/84/86/75/1096848675.db2.gz NZRAJLRATUMPDV-RXMQYKEDSA-N -1 0 349.290 2.851 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1F)C(=O)[O-] ZINC001604438839 1096854946 /nfs/dbraw/zinc/85/49/46/1096854946.db2.gz MKCAUOYHFRNZFU-SRVKXCTJSA-N -1 0 349.362 2.881 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001604481105 1096875351 /nfs/dbraw/zinc/87/53/51/1096875351.db2.gz ODAHDAVAFYJEPP-BXUZGUMPSA-N -1 0 343.408 2.847 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001604483825 1096877571 /nfs/dbraw/zinc/87/75/71/1096877571.db2.gz YVCCRKULNJKBRL-AWEZNQCLSA-N -1 0 325.727 2.945 20 30 EFEDRM C[C@@]1(C#N)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001604484260 1096879130 /nfs/dbraw/zinc/87/91/30/1096879130.db2.gz CZICDOWKVDQBCV-TZMCWYRMSA-N -1 0 329.183 2.734 20 30 EFEDRM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC001604511441 1096886468 /nfs/dbraw/zinc/88/64/68/1096886468.db2.gz ZUDYTMIAMJWTIW-UHFFFAOYSA-N -1 0 337.314 2.659 20 30 EFEDRM CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001604519030 1096888566 /nfs/dbraw/zinc/88/85/66/1096888566.db2.gz OILPSEXJDPDORX-QGZVFWFLSA-N -1 0 344.392 2.509 20 30 EFEDRM CC1(C)CCC[C@@](NC(=O)c2ccc(C#N)c(Cl)n2)(C(=O)[O-])C1 ZINC001604529524 1096895541 /nfs/dbraw/zinc/89/55/41/1096895541.db2.gz ARZPKVPZDKZGLL-INIZCTEOSA-N -1 0 335.791 2.760 20 30 EFEDRM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC[C@H]1C(=O)[O-] ZINC001604590621 1096910573 /nfs/dbraw/zinc/91/05/73/1096910573.db2.gz DUQCLLGUDDUQHP-CYJAXWMASA-N -1 0 326.396 2.811 20 30 EFEDRM C[C@H]1C(=O)CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001604621431 1096915578 /nfs/dbraw/zinc/91/55/78/1096915578.db2.gz VTXZZWZSTOHUFF-NHYWBVRUSA-N -1 0 343.379 2.941 20 30 EFEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC001604787214 1096954782 /nfs/dbraw/zinc/95/47/82/1096954782.db2.gz XVEIPLHHJPXDSC-HONMWMINSA-N -1 0 342.317 2.726 20 30 EFEDRM C[C@@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)sc2[C@@H](C)C1 ZINC001604825903 1096966052 /nfs/dbraw/zinc/96/60/52/1096966052.db2.gz VLHKCGREAPQIAI-NGERZBJRSA-N -1 0 348.424 2.876 20 30 EFEDRM C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)sc21 ZINC001604825911 1096966476 /nfs/dbraw/zinc/96/64/76/1096966476.db2.gz VLHKCGREAPQIAI-ZFWZSOMGSA-N -1 0 348.424 2.876 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C#N)c(OC)c1 ZINC001604886933 1096974764 /nfs/dbraw/zinc/97/47/64/1096974764.db2.gz CGZLGAZDEBBWTG-SFHVURJKSA-N -1 0 330.384 2.672 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC001604886998 1096975112 /nfs/dbraw/zinc/97/51/12/1096975112.db2.gz DZKJBMASQRCLIV-IBGZPJMESA-N -1 0 344.411 2.623 20 30 EFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(C#N)c1Br ZINC001604901929 1096979253 /nfs/dbraw/zinc/97/92/53/1096979253.db2.gz MRHZVYYHVYBGEA-AWEZNQCLSA-N -1 0 339.189 2.694 20 30 EFEDRM CO[C@]1(C)CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001605017259 1097001599 /nfs/dbraw/zinc/00/15/99/1097001599.db2.gz QSMNKTIKQIBAPB-OAHLLOKOSA-N -1 0 333.396 2.581 20 30 EFEDRM CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1cccc(C#N)c1[O-] ZINC001605098667 1097021944 /nfs/dbraw/zinc/02/19/44/1097021944.db2.gz HNJRGGORZLHIRO-MRXNPFEDSA-N -1 0 327.384 2.850 20 30 EFEDRM CC[C@H]1C[C@@H](CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001605154480 1097036095 /nfs/dbraw/zinc/03/60/95/1097036095.db2.gz KANBYRGFTCTFGT-RDJZCZTQSA-N -1 0 330.380 2.875 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001605192080 1097047912 /nfs/dbraw/zinc/04/79/12/1097047912.db2.gz IHVJWFOMDJURKH-UHFFFAOYSA-N -1 0 342.417 2.736 20 30 EFEDRM CCC[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001605225856 1097059793 /nfs/dbraw/zinc/05/97/93/1097059793.db2.gz WLWRJQFZKVEYEH-XHSDSOJGSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001605317835 1097095266 /nfs/dbraw/zinc/09/52/66/1097095266.db2.gz VPLKNXMTNHIZOQ-DLBZAZTESA-N -1 0 344.411 2.709 20 30 EFEDRM CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001605384301 1097113012 /nfs/dbraw/zinc/11/30/12/1097113012.db2.gz OJDYYZKMCAADRF-HNNXBMFYSA-N -1 0 339.399 2.528 20 30 EFEDRM CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)(C)C(=O)[O-] ZINC001605411536 1097120541 /nfs/dbraw/zinc/12/05/41/1097120541.db2.gz PKZMLFSZODMMPO-UHFFFAOYSA-N -1 0 345.443 2.735 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001605436676 1097124973 /nfs/dbraw/zinc/12/49/73/1097124973.db2.gz COMNXXRCWNLQTJ-UHFFFAOYSA-N -1 0 341.314 2.796 20 30 EFEDRM CCOC(=O)Nc1ccc(NCc2ncc(C(=O)[O-])s2)cc1C#N ZINC001605556090 1097158481 /nfs/dbraw/zinc/15/84/81/1097158481.db2.gz JEDHNFFICIRTFA-UHFFFAOYSA-N -1 0 346.368 2.893 20 30 EFEDRM Cc1cc(C)n(N=CCC2CCCCCC2)c(=O)c1-c1nnn[n-]1 ZINC001605650085 1097179613 /nfs/dbraw/zinc/17/96/13/1097179613.db2.gz SZLZXBUCSSQPGU-UHFFFAOYSA-N -1 0 328.420 2.840 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(C)[nH]1 ZINC001605652035 1097181140 /nfs/dbraw/zinc/18/11/40/1097181140.db2.gz CCSFTXXERMJRGQ-UHFFFAOYSA-N -1 0 328.380 2.543 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CCC#N)CC1CC1 ZINC001605666253 1097186532 /nfs/dbraw/zinc/18/65/32/1097186532.db2.gz YZUGWXHWZUDNQF-UHFFFAOYSA-N -1 0 331.372 2.941 20 30 EFEDRM CCOc1ccc(C=NO[C@@H](C)c2nc(C(=O)[O-])co2)cc1OC ZINC001605685611 1097194964 /nfs/dbraw/zinc/19/49/64/1097194964.db2.gz ULNAMQQPADDTKI-JTQLQIEISA-N -1 0 334.328 2.892 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001605785320 1097223549 /nfs/dbraw/zinc/22/35/49/1097223549.db2.gz UMZXMCMNPWFSOU-UHFFFAOYSA-N -1 0 345.376 2.895 20 30 EFEDRM CCc1cc2c(nc(C)nc2N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001605802299 1097231996 /nfs/dbraw/zinc/23/19/96/1097231996.db2.gz JFYQYZQLSMVDDP-UHFFFAOYSA-N -1 0 330.413 2.757 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC001605807266 1097234117 /nfs/dbraw/zinc/23/41/17/1097234117.db2.gz BJLJGCOEAGICAA-OAHLLOKOSA-N -1 0 326.352 2.806 20 30 EFEDRM CCc1ccc([C@@H](C)CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001605809483 1097234916 /nfs/dbraw/zinc/23/49/16/1097234916.db2.gz MQMJNQFNZLWRCX-AWEZNQCLSA-N -1 0 328.412 2.960 20 30 EFEDRM CCc1nn(Cc2c(Cl)cccc2C(=O)[O-])c(=O)c(C#N)c1CC ZINC001605868543 1097258783 /nfs/dbraw/zinc/25/87/83/1097258783.db2.gz VAISUZKWBLASQU-UHFFFAOYSA-N -1 0 345.786 2.640 20 30 EFEDRM CCc1oc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc1C(=O)[O-] ZINC001605889338 1097267143 /nfs/dbraw/zinc/26/71/43/1097267143.db2.gz LFXHHSALSBBWLV-UHFFFAOYSA-N -1 0 333.300 2.903 20 30 EFEDRM CN(C(=O)CCCCOc1cccc(C#N)c1)C(C)(C)CC(=O)[O-] ZINC001605958105 1097286182 /nfs/dbraw/zinc/28/61/82/1097286182.db2.gz QIFAUDZVQWYLNE-UHFFFAOYSA-N -1 0 332.400 2.819 20 30 EFEDRM CN(C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@H]1CCC[C@H]1C#N ZINC001605975274 1097290206 /nfs/dbraw/zinc/29/02/06/1097290206.db2.gz HVULWWZKQXSTOL-ONGXEEELSA-N -1 0 349.412 2.675 20 30 EFEDRM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1(C(=O)[O-])CCCCC1 ZINC001605977314 1097290829 /nfs/dbraw/zinc/29/08/29/1097290829.db2.gz QMAFYTBHNUBOMK-JKSUJKDBSA-N -1 0 326.396 2.908 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2-c2nn[nH]n2)n1 ZINC001606001402 1097295297 /nfs/dbraw/zinc/29/52/97/1097295297.db2.gz QOAVAASMYTUNBP-FMFIFOJESA-N -1 0 336.380 2.521 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CC1CCC(C(F)(F)F)CC1 ZINC001606018611 1097299303 /nfs/dbraw/zinc/29/93/03/1097299303.db2.gz ZNXMRORUPFDNOM-UHFFFAOYSA-N -1 0 339.325 2.612 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC=CCc2ccc(F)cc2F)o1 ZINC001606020396 1097300075 /nfs/dbraw/zinc/30/00/75/1097300075.db2.gz WRPVIHIITPXCLE-BASDRIDLSA-N -1 0 331.286 2.552 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001606043249 1097305604 /nfs/dbraw/zinc/30/56/04/1097305604.db2.gz BIJDNLWVFLJAJL-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM CN(CCC#N)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001606105745 1097319486 /nfs/dbraw/zinc/31/94/86/1097319486.db2.gz KIUVROWHZUGIBY-UHFFFAOYSA-N -1 0 340.339 2.949 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001606139964 1097326887 /nfs/dbraw/zinc/32/68/87/1097326887.db2.gz TWFHFSSDXCDJAJ-UHFFFAOYSA-N -1 0 336.391 2.890 20 30 EFEDRM CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606147255 1097327552 /nfs/dbraw/zinc/32/75/52/1097327552.db2.gz FCMBOPNYXHRBKE-MRXNPFEDSA-N -1 0 326.400 2.837 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001606151086 1097330325 /nfs/dbraw/zinc/33/03/25/1097330325.db2.gz VRMYXHWZMUJMDV-SFHVURJKSA-N -1 0 347.374 2.597 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(C#N)cnc1Cl ZINC001606162609 1097333131 /nfs/dbraw/zinc/33/31/31/1097333131.db2.gz DMLFQVKIDXASAI-UHFFFAOYSA-N -1 0 345.786 2.702 20 30 EFEDRM CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)CCCC(=O)[O-] ZINC001606186806 1097341612 /nfs/dbraw/zinc/34/16/12/1097341612.db2.gz IMAXKIDMCHLKSY-WJDWOHSUSA-N -1 0 345.395 2.665 20 30 EFEDRM C/C(=N\O)c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937640 1097369261 /nfs/dbraw/zinc/36/92/61/1097369261.db2.gz GHNYRYKBQRDQMP-XDHOZWIPSA-N -1 0 346.323 2.970 20 30 EFEDRM COC(=O)[C@@H](C)n1cccc1CN=Nc1cccc(F)c1C(=O)[O-] ZINC001606323435 1097382406 /nfs/dbraw/zinc/38/24/06/1097382406.db2.gz MVORQOBUKXIKLK-SNVBAGLBSA-N -1 0 333.319 2.505 20 30 EFEDRM N#CC(=C([O-])c1sccc1-c1nn[nH]n1)c1nccc2ccccc21 ZINC001606336784 1097386371 /nfs/dbraw/zinc/38/63/71/1097386371.db2.gz LVDZOFHLTORBPE-CYBMUJFWSA-N -1 0 346.375 2.966 20 30 EFEDRM N#Cc1ncc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC001606398044 1097398372 /nfs/dbraw/zinc/39/83/72/1097398372.db2.gz ISHHWQOVIMHOCW-ZIAGYGMSSA-N -1 0 346.398 2.667 20 30 EFEDRM O=C(C=Cc1nc(-c2nn[nH]n2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487117 1097406584 /nfs/dbraw/zinc/40/65/84/1097406584.db2.gz GLNDWWRHBYPNIZ-ARJAWSKDSA-N -1 0 333.760 2.578 20 30 EFEDRM COC(=O)c1c(F)cccc1N=NCc1cccn1[C@H](C)C(=O)[O-] ZINC001606526028 1097413683 /nfs/dbraw/zinc/41/36/83/1097413683.db2.gz GHANYIJFNAKMDL-SNVBAGLBSA-N -1 0 333.319 2.505 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccsc2C(=O)[O-])c1C ZINC001606933138 1097476278 /nfs/dbraw/zinc/47/62/78/1097476278.db2.gz NZABANFJSMEODU-SNAWJCMRSA-N -1 0 334.397 2.802 20 30 EFEDRM COCc1cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc(C(=O)[O-])c1 ZINC001606947725 1097478451 /nfs/dbraw/zinc/47/84/51/1097478451.db2.gz NFESXVMJWKIUMS-WFASDCNBSA-N -1 0 331.372 2.687 20 30 EFEDRM COCc1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc(C(=O)[O-])c1 ZINC001606947723 1097478603 /nfs/dbraw/zinc/47/86/03/1097478603.db2.gz NFESXVMJWKIUMS-SWLSCSKDSA-N -1 0 331.372 2.687 20 30 EFEDRM COc1c(NC(=O)NCc2ccc(C#N)cc2F)cccc1C(=O)[O-] ZINC001607034497 1097500154 /nfs/dbraw/zinc/50/01/54/1097500154.db2.gz FGJHSFCVXZAISX-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001607065556 1097504341 /nfs/dbraw/zinc/50/43/41/1097504341.db2.gz SRTZFYHFDRDADP-OAHLLOKOSA-N -1 0 330.384 2.720 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)ccc1C#N ZINC001607087256 1097511215 /nfs/dbraw/zinc/51/12/15/1097511215.db2.gz NIBKJFDECIDUKZ-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001607122163 1097523454 /nfs/dbraw/zinc/52/34/54/1097523454.db2.gz GTNCHJYRSCHLLY-LLVKDONJSA-N -1 0 340.335 2.671 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)cc1OC ZINC001607134216 1097539515 /nfs/dbraw/zinc/53/95/15/1097539515.db2.gz HLKBNRSYXMTNTE-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC001607134028 1097540058 /nfs/dbraw/zinc/54/00/58/1097540058.db2.gz JQJNAQKELWRQHW-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1C#N ZINC001607160396 1097547401 /nfs/dbraw/zinc/54/74/01/1097547401.db2.gz PNVDBWVVSIVLFE-UHFFFAOYSA-N -1 0 342.395 2.608 20 30 EFEDRM COc1cc(F)c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cc1OC ZINC001607168356 1097549455 /nfs/dbraw/zinc/54/94/55/1097549455.db2.gz MPACJTXSWXBVOU-PLNGDYQASA-N -1 0 333.315 2.776 20 30 EFEDRM COc1cc(OC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1C(=O)[O-] ZINC001607183432 1097553872 /nfs/dbraw/zinc/55/38/72/1097553872.db2.gz QWVIGOZKTGMDHT-LLVKDONJSA-N -1 0 341.319 2.638 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001607201774 1097558937 /nfs/dbraw/zinc/55/89/37/1097558937.db2.gz PHQISBHZLZMRPW-UHFFFAOYSA-N -1 0 339.351 2.629 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2ccc(C#N)cc2)c1F ZINC001607210127 1097562015 /nfs/dbraw/zinc/56/20/15/1097562015.db2.gz WOKIBFVYEJIRHG-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2C)cc1 ZINC001607221834 1097564971 /nfs/dbraw/zinc/56/49/71/1097564971.db2.gz BQHXMROYPXVQOS-KRWDZBQOSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2CC#N)cc1 ZINC001607223895 1097566095 /nfs/dbraw/zinc/56/60/95/1097566095.db2.gz CRTRFASQLQXFHT-CQSZACIVSA-N -1 0 344.392 2.769 20 30 EFEDRM COc1ccc(CSc2ccc(C(=O)[O-])nc2C#N)c(OC)c1 ZINC001607263911 1097578961 /nfs/dbraw/zinc/57/89/61/1097578961.db2.gz XRTCNJZRZUVHIK-UHFFFAOYSA-N -1 0 330.365 2.961 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cscc2C#N)c1 ZINC001607307521 1097593427 /nfs/dbraw/zinc/59/34/27/1097593427.db2.gz DVFVXTRJRZGYGL-CQSZACIVSA-N -1 0 330.365 2.526 20 30 EFEDRM CSc1ccc(/C=C/C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001607404781 1097620012 /nfs/dbraw/zinc/62/00/12/1097620012.db2.gz BILZZFZCRMXWCZ-DUXPYHPUSA-N -1 0 336.438 2.700 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001607431828 1097627980 /nfs/dbraw/zinc/62/79/80/1097627980.db2.gz VFUWCCGOYFZJLJ-BMFZPTHFSA-N -1 0 329.400 2.784 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001607483976 1097637356 /nfs/dbraw/zinc/63/73/56/1097637356.db2.gz BOIPFPPRJPUAOL-OAHLLOKOSA-N -1 0 340.383 2.599 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001607484758 1097639062 /nfs/dbraw/zinc/63/90/62/1097639062.db2.gz NWSWDSJDLHGZAU-UHFFFAOYSA-N -1 0 329.381 2.765 20 30 EFEDRM Cc1[nH]c(C(=O)OCCCOc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001607496416 1097642896 /nfs/dbraw/zinc/64/28/96/1097642896.db2.gz YALBELZOSXQLDS-UHFFFAOYSA-N -1 0 342.351 2.827 20 30 EFEDRM Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001607504060 1097644741 /nfs/dbraw/zinc/64/47/41/1097644741.db2.gz AYWFJEVSRAORTP-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001607504031 1097645045 /nfs/dbraw/zinc/64/50/45/1097645045.db2.gz AGSMPZMTKJKMLF-INIZCTEOSA-N -1 0 327.311 2.859 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001607504115 1097645218 /nfs/dbraw/zinc/64/52/18/1097645218.db2.gz CRTVNVYVXNHTOI-FQEVSTJZSA-N -1 0 334.375 2.735 20 30 EFEDRM Cc1c(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cnn1CCC#N ZINC001607509978 1097646782 /nfs/dbraw/zinc/64/67/82/1097646782.db2.gz PRIPYWBUDYEROP-UHFFFAOYSA-N -1 0 337.339 2.537 20 30 EFEDRM Cc1c(NC(=O)Cc2cccc(C#N)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607541131 1097656420 /nfs/dbraw/zinc/65/64/20/1097656420.db2.gz RTPHPFUYFLLWHM-UHFFFAOYSA-N -1 0 339.307 2.654 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001607564643 1097661862 /nfs/dbraw/zinc/66/18/62/1097661862.db2.gz OPZAONPRMRTSRF-XYJFISCASA-N -1 0 340.423 2.819 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001607565255 1097662546 /nfs/dbraw/zinc/66/25/46/1097662546.db2.gz FBILSKWNOSEVJI-SFHVURJKSA-N -1 0 336.391 2.530 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001607565715 1097662622 /nfs/dbraw/zinc/66/26/22/1097662622.db2.gz GOXZLLDLQHTJJG-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])ncc1C#N ZINC001607569066 1097662843 /nfs/dbraw/zinc/66/28/43/1097662843.db2.gz BKPGNWWUUWDNNR-CQSZACIVSA-N -1 0 337.379 2.625 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 ZINC001607565373 1097662914 /nfs/dbraw/zinc/66/29/14/1097662914.db2.gz IPCCEEAZLLYXAK-UHFFFAOYSA-N -1 0 335.319 2.570 20 30 EFEDRM Cc1cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc(C)c1C#N ZINC001607573417 1097664372 /nfs/dbraw/zinc/66/43/72/1097664372.db2.gz KBHMYKIOXUTGGZ-DNVCBOLYSA-N -1 0 326.396 2.892 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001607583243 1097666327 /nfs/dbraw/zinc/66/63/27/1097666327.db2.gz GGAGDRSBWJLMSL-UHFFFAOYSA-N -1 0 340.383 2.715 20 30 EFEDRM Cc1cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc(C)c1C#N ZINC001607584766 1097667316 /nfs/dbraw/zinc/66/73/16/1097667316.db2.gz HBXDCZBGWOPPEH-UHFFFAOYSA-N -1 0 344.396 2.686 20 30 EFEDRM Cc1cc([C@@H](NC(=O)CCc2ccc(C#N)cc2)C(=O)[O-])ccc1F ZINC001607610684 1097675680 /nfs/dbraw/zinc/67/56/80/1097675680.db2.gz IZPQPRVJUGXQAX-GOSISDBHSA-N -1 0 340.354 2.881 20 30 EFEDRM Cc1cc(C)nc(N=NCc2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC001607632036 1097683133 /nfs/dbraw/zinc/68/31/33/1097683133.db2.gz FNYYKCWJIAKWFQ-UHFFFAOYSA-N -1 0 328.372 2.620 20 30 EFEDRM Cc1cc(C)n(CCCC(=O)OCC#Cc2cccc(C(=O)[O-])c2)n1 ZINC001607630833 1097683210 /nfs/dbraw/zinc/68/32/10/1097683210.db2.gz ZSJJQUMIXALWEL-UHFFFAOYSA-N -1 0 340.379 2.573 20 30 EFEDRM Cc1cc(/C=C2\CCn3ccnc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001607634563 1097684308 /nfs/dbraw/zinc/68/43/08/1097684308.db2.gz KXMCCKZLXABNEK-NTEUORMPSA-N -1 0 326.352 2.633 20 30 EFEDRM Cc1cc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1Cl ZINC001607642199 1097686576 /nfs/dbraw/zinc/68/65/76/1097686576.db2.gz CFNHBMPMIJRMKQ-UHFFFAOYSA-N -1 0 335.791 2.548 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001607658970 1097692439 /nfs/dbraw/zinc/69/24/39/1097692439.db2.gz ORJPLNAEACZYMI-UHFFFAOYSA-N -1 0 345.334 2.666 20 30 EFEDRM Cc1cc(F)ccc1[C@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607667110 1097694363 /nfs/dbraw/zinc/69/43/63/1097694363.db2.gz XHXLHVGSCPCDEL-LBPRGKRZSA-N -1 0 333.363 2.595 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2c(C)cccc2C#N)c(C(=O)[O-])s1 ZINC001607702463 1097704308 /nfs/dbraw/zinc/70/43/08/1097704308.db2.gz SEYHCICGKJSBGG-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM Cc1oc(C)c(S(=O)(=O)Oc2ccc(C#N)c(C)c2)c1C(=O)[O-] ZINC001607702317 1097704482 /nfs/dbraw/zinc/70/44/82/1097704482.db2.gz JNQGSARVZIXSFO-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1cc2c(NC(=O)c3ccc(C(=O)[O-])s3)n[nH]c2cc1C#N ZINC001607712287 1097705854 /nfs/dbraw/zinc/70/58/54/1097705854.db2.gz KDBQPDVXOMJTTE-UHFFFAOYSA-N -1 0 326.337 2.755 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001607713157 1097706755 /nfs/dbraw/zinc/70/67/55/1097706755.db2.gz WLCCDZBOBWFRGR-HYXAFXHYSA-N -1 0 336.307 2.686 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001607725042 1097710377 /nfs/dbraw/zinc/71/03/77/1097710377.db2.gz KUTODNCCGCPPCG-VQHVLOKHSA-N -1 0 329.377 2.810 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001607724526 1097710493 /nfs/dbraw/zinc/71/04/93/1097710493.db2.gz QLPHLOOZTKJABP-OAHLLOKOSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(C#N)cn1 ZINC001607742601 1097716858 /nfs/dbraw/zinc/71/68/58/1097716858.db2.gz ITYNUYASFXCURR-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM Cc1ccc(C(=O)OCCCC2(C#N)CCOCC2)cc1C(=O)[O-] ZINC001607747405 1097717669 /nfs/dbraw/zinc/71/76/69/1097717669.db2.gz DWSBIISTISRGSZ-UHFFFAOYSA-N -1 0 331.368 2.951 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)CC1(C#N)CCCCC1 ZINC001607746078 1097717795 /nfs/dbraw/zinc/71/77/95/1097717795.db2.gz YWEWZLOKGVQVJC-UHFFFAOYSA-N -1 0 337.397 2.876 20 30 EFEDRM Cc1ccc(C)c(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001607764588 1097724940 /nfs/dbraw/zinc/72/49/40/1097724940.db2.gz UNCZNIXNARTLPV-UHFFFAOYSA-N -1 0 326.352 2.991 20 30 EFEDRM Cc1ccc(C[C@H](Sc2nccc(C#N)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001607776488 1097729852 /nfs/dbraw/zinc/72/98/52/1097729852.db2.gz XQFUZTWJWJRRFP-ZDUSSCGKSA-N -1 0 343.364 2.958 20 30 EFEDRM Cc1ccc(O[C@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc1 ZINC001607812499 1097741412 /nfs/dbraw/zinc/74/14/12/1097741412.db2.gz MCCHSYSKGIPFMP-FUHWJXTLSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC001607816294 1097742081 /nfs/dbraw/zinc/74/20/81/1097742081.db2.gz PLZBYVFVECTICI-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1ccc2ncc(C#N)c(N3CCSC[C@H](C(=O)[O-])C3)c2c1 ZINC001607833319 1097747489 /nfs/dbraw/zinc/74/74/89/1097747489.db2.gz BCDAZRLOQZTLOE-CYBMUJFWSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1cccc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C ZINC001607840973 1097749736 /nfs/dbraw/zinc/74/97/36/1097749736.db2.gz LDGUUFVCWGFKEO-CQSZACIVSA-N -1 0 329.400 2.764 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)Nc2sccc2C#N)C(=O)[O-])c1 ZINC001607849667 1097753448 /nfs/dbraw/zinc/75/34/48/1097753448.db2.gz KZNLHANJOJCIAH-CQSZACIVSA-N -1 0 343.408 2.993 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CC1(C#N)CCOCC1 ZINC001607884209 1097766864 /nfs/dbraw/zinc/76/68/64/1097766864.db2.gz ZLHSTVFEDIHQOP-UHFFFAOYSA-N -1 0 330.384 2.513 20 30 EFEDRM Cc1csc(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1C#N ZINC001607932377 1097781148 /nfs/dbraw/zinc/78/11/48/1097781148.db2.gz MXEAHXIZZHUCRE-UHFFFAOYSA-N -1 0 333.373 2.588 20 30 EFEDRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607935600 1097781761 /nfs/dbraw/zinc/78/17/61/1097781761.db2.gz MMLCMQLKLFBWFT-QGHHPUGFSA-N -1 0 341.367 2.761 20 30 EFEDRM Cc1nc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1C#N ZINC001607945890 1097784503 /nfs/dbraw/zinc/78/45/03/1097784503.db2.gz IPURCJMYDIUARI-IRXDYDNUSA-N -1 0 335.363 2.692 20 30 EFEDRM Cc1nc(C2CCCC2)sc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607953797 1097787186 /nfs/dbraw/zinc/78/71/86/1097787186.db2.gz UIIHAPUKEYCKQZ-UHFFFAOYSA-N -1 0 347.440 2.940 20 30 EFEDRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC#C[C@@H]3CCCCO3)c12 ZINC001607965149 1097790641 /nfs/dbraw/zinc/79/06/41/1097790641.db2.gz AVRUQJNHELIICV-LBPRGKRZSA-N -1 0 345.424 2.991 20 30 EFEDRM Cc1ncc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1C(=O)[O-] ZINC001607981518 1097795233 /nfs/dbraw/zinc/79/52/33/1097795233.db2.gz QXTWSMDHVUFRDJ-UHFFFAOYSA-N -1 0 336.351 2.771 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001607996214 1097800859 /nfs/dbraw/zinc/80/08/59/1097800859.db2.gz MFDOQSYIQBYLIG-UHFFFAOYSA-N -1 0 340.379 2.853 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001608024575 1097808181 /nfs/dbraw/zinc/80/81/81/1097808181.db2.gz FBFPBZXGVAVHEK-UHFFFAOYSA-N -1 0 326.308 2.787 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C=NN[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001608035387 1097811486 /nfs/dbraw/zinc/81/14/86/1097811486.db2.gz SDWLKXUDGNFIBK-NSHDSACASA-N -1 0 344.367 2.960 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608031975 1097811560 /nfs/dbraw/zinc/81/15/60/1097811560.db2.gz ZEUYVNLNZAWZCK-JTQLQIEISA-N -1 0 345.380 2.634 20 30 EFEDRM Cc1oc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001608056079 1097818957 /nfs/dbraw/zinc/81/89/57/1097818957.db2.gz KHORCLDDCGWEIM-AWEZNQCLSA-N -1 0 348.380 2.610 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)c2cccc(CC#N)c2)c1C(=O)[O-] ZINC001608079490 1097828537 /nfs/dbraw/zinc/82/85/37/1097828537.db2.gz UWODWISKVOTIHZ-UHFFFAOYSA-N -1 0 334.335 2.590 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608084778 1097828805 /nfs/dbraw/zinc/82/88/05/1097828805.db2.gz FLNUQMGVUJCLGA-YNEHKIRRSA-N -1 0 325.368 2.641 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001608171758 1097850481 /nfs/dbraw/zinc/85/04/81/1097850481.db2.gz REFSPEOJBHLTHK-HZPDHXFCSA-N -1 0 326.396 2.787 20 30 EFEDRM N#C[C@@H](C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC001608173115 1097850490 /nfs/dbraw/zinc/85/04/90/1097850490.db2.gz BPDPQOHQPXZJAA-AEJSXWLSSA-N -1 0 333.294 2.718 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc([S@@](=O)C(F)(F)F)cc2)CC1 ZINC001608173838 1097850686 /nfs/dbraw/zinc/85/06/86/1097850686.db2.gz CBGAWESSAKMMRC-HSZRJFAPSA-N -1 0 346.330 2.509 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(C3CCC3)cc2)CC1 ZINC001608172020 1097850888 /nfs/dbraw/zinc/85/08/88/1097850888.db2.gz UHLHLYLBEJXFPE-UHFFFAOYSA-N -1 0 326.396 2.714 20 30 EFEDRM N#C[C@H](C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC001608173120 1097851001 /nfs/dbraw/zinc/85/10/01/1097851001.db2.gz BPDPQOHQPXZJAA-KXUCPTDWSA-N -1 0 333.294 2.718 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC001608172722 1097851032 /nfs/dbraw/zinc/85/10/32/1097851032.db2.gz MWDUGZCBYOBITG-UHFFFAOYSA-N -1 0 338.367 2.700 20 30 EFEDRM N#CC1(CCCOC(=O)Cc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001608174977 1097852299 /nfs/dbraw/zinc/85/22/99/1097852299.db2.gz JQIAZKRIABISFI-UHFFFAOYSA-N -1 0 331.368 2.571 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC001608178229 1097852713 /nfs/dbraw/zinc/85/27/13/1097852713.db2.gz LLNSQGNGQYTSOC-UHFFFAOYSA-N -1 0 338.319 2.594 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCOc1cc(Cl)ccc1Cl ZINC001608185177 1097853835 /nfs/dbraw/zinc/85/38/35/1097853835.db2.gz GFFSERLPLSGRJP-UHFFFAOYSA-N -1 0 345.182 2.589 20 30 EFEDRM N#CCOc1ccccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001608187031 1097853963 /nfs/dbraw/zinc/85/39/63/1097853963.db2.gz JOWKQHOGYWOBBL-CQSZACIVSA-N -1 0 330.384 2.600 20 30 EFEDRM N#CCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001608183386 1097854109 /nfs/dbraw/zinc/85/41/09/1097854109.db2.gz AREVBJBUCOYYCM-UHFFFAOYSA-N -1 0 333.347 2.820 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001608187176 1097854198 /nfs/dbraw/zinc/85/41/98/1097854198.db2.gz QNZMKGJJTLSGHH-LBPRGKRZSA-N -1 0 330.365 2.596 20 30 EFEDRM N#CCCc1ccc(NC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC001608184570 1097854216 /nfs/dbraw/zinc/85/42/16/1097854216.db2.gz ZSDLDRIFGNYXDR-UHFFFAOYSA-N -1 0 330.369 2.619 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC001608186304 1097854259 /nfs/dbraw/zinc/85/42/59/1097854259.db2.gz JEORVVSBCHTIMJ-UHFFFAOYSA-N -1 0 344.392 2.768 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001608184011 1097854300 /nfs/dbraw/zinc/85/43/00/1097854300.db2.gz JWHIUXRDCVTODG-UHFFFAOYSA-N -1 0 330.369 2.789 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001608183602 1097854326 /nfs/dbraw/zinc/85/43/26/1097854326.db2.gz PGHZIRVIISDORW-UHFFFAOYSA-N -1 0 331.349 2.609 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCSc1nc2ccccc2s1 ZINC001608185225 1097854422 /nfs/dbraw/zinc/85/44/22/1097854422.db2.gz IMHNCIHPNSQBOB-UHFFFAOYSA-N -1 0 349.437 2.605 20 30 EFEDRM N#CCOc1ccc(CC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001608188442 1097854738 /nfs/dbraw/zinc/85/47/38/1097854738.db2.gz FPWPOFWCCFIBKC-INIZCTEOSA-N -1 0 344.411 2.529 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001608188517 1097854783 /nfs/dbraw/zinc/85/47/83/1097854783.db2.gz GKJSXVANYFTPDA-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM N#CCOc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC001608188971 1097854864 /nfs/dbraw/zinc/85/48/64/1097854864.db2.gz SLCQCMMGNPNMTB-AWEZNQCLSA-N -1 0 344.392 2.525 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2 ZINC001608189163 1097854873 /nfs/dbraw/zinc/85/48/73/1097854873.db2.gz FTERRTZQYBCLJE-DLBZAZTESA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)C2 ZINC001608189299 1097855263 /nfs/dbraw/zinc/85/52/63/1097855263.db2.gz LNNFKGQLXXNWGN-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM N#CCc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001608189370 1097855366 /nfs/dbraw/zinc/85/53/66/1097855366.db2.gz OXAJRPBFIVKMNH-CQSZACIVSA-N -1 0 328.393 2.689 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001608188074 1097855540 /nfs/dbraw/zinc/85/55/40/1097855540.db2.gz IDLQNQSXNDJKQU-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccccc2CC(=O)[O-])c1 ZINC001608188776 1097855598 /nfs/dbraw/zinc/85/55/98/1097855598.db2.gz MBOPOFATZFOZAT-UHFFFAOYSA-N -1 0 339.347 2.502 20 30 EFEDRM N#Cc1c(CN2CCO[C@H](c3cccs3)C2)cccc1C(=O)[O-] ZINC001608191613 1097856348 /nfs/dbraw/zinc/85/63/48/1097856348.db2.gz YEMKAIRUPDMZAI-HNNXBMFYSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1F ZINC001608192034 1097856907 /nfs/dbraw/zinc/85/69/07/1097856907.db2.gz HAQLQWVDCHTXAB-MKBNYLNASA-N -1 0 348.349 2.942 20 30 EFEDRM N#Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1F ZINC001608194346 1097857294 /nfs/dbraw/zinc/85/72/94/1097857294.db2.gz UNDKGSQBOIUZPG-UHFFFAOYSA-N -1 0 326.327 2.814 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)ccc12 ZINC001608194969 1097857453 /nfs/dbraw/zinc/85/74/53/1097857453.db2.gz APQLBKHYUPYCMQ-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001608195522 1097857576 /nfs/dbraw/zinc/85/75/76/1097857576.db2.gz RHUBVXNYIHTDSS-GFCCVEGCSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1c(Cn2ccnc2[C@@H](O)c2cccs2)cccc1C(=O)[O-] ZINC001608192518 1097857777 /nfs/dbraw/zinc/85/77/77/1097857777.db2.gz RMLGYYNJMXYJJL-HNNXBMFYSA-N -1 0 339.376 2.644 20 30 EFEDRM N#Cc1c(NC(=O)CCSCC(=O)[O-])cccc1OC(F)(F)F ZINC001608194559 1097857875 /nfs/dbraw/zinc/85/78/75/1097857875.db2.gz RKVHBUYXPAKTRX-UHFFFAOYSA-N -1 0 348.302 2.603 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1F ZINC001608192450 1097857965 /nfs/dbraw/zinc/85/79/65/1097857965.db2.gz OVGZDPOAJQAFQI-GFCCVEGCSA-N -1 0 336.338 2.847 20 30 EFEDRM N#Cc1cc(NCc2ccnc(C(=O)[O-])c2)nc2ccc([N+](=O)[O-])cc12 ZINC001608198017 1097858446 /nfs/dbraw/zinc/85/84/46/1097858446.db2.gz ZCICIITVDHSDLP-UHFFFAOYSA-N -1 0 349.306 2.720 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)cc1F ZINC001608197710 1097858455 /nfs/dbraw/zinc/85/84/55/1097858455.db2.gz OOTNUJOSYHLDSM-UHFFFAOYSA-N -1 0 347.233 2.695 20 30 EFEDRM N#Cc1cc(NC[C@@H](C(=O)[O-])c2ccc(F)cc2)nc(C2CC2)n1 ZINC001608197502 1097858466 /nfs/dbraw/zinc/85/84/66/1097858466.db2.gz CGEHXTASYFXVQU-CQSZACIVSA-N -1 0 326.331 2.645 20 30 EFEDRM N#Cc1cc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001608198242 1097858594 /nfs/dbraw/zinc/85/85/94/1097858594.db2.gz WCDRWVWHCKESEM-HZPDHXFCSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)cc2)cc1 ZINC001608198466 1097858755 /nfs/dbraw/zinc/85/87/55/1097858755.db2.gz IKSUBJJDGASXLT-DLBZAZTESA-N -1 0 337.331 2.763 20 30 EFEDRM N#Cc1cc(NC[C@H](C(=O)[O-])c2ccc(F)cc2)nc(C2CC2)n1 ZINC001608197501 1097858829 /nfs/dbraw/zinc/85/88/29/1097858829.db2.gz CGEHXTASYFXVQU-AWEZNQCLSA-N -1 0 326.331 2.645 20 30 EFEDRM N#Cc1cc(N2CCc3cc(C(=O)[O-])ccc3C2)c([N+](=O)[O-])s1 ZINC001608198197 1097858905 /nfs/dbraw/zinc/85/89/05/1097858905.db2.gz SCRDAOHHNOQRQS-UHFFFAOYSA-N -1 0 329.337 2.789 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)ccc1C1CC1 ZINC001608197678 1097859023 /nfs/dbraw/zinc/85/90/23/1097859023.db2.gz MYINZENQBOIAIS-GOEBONIOSA-N -1 0 328.368 2.787 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)co1 ZINC001608195630 1097859066 /nfs/dbraw/zinc/85/90/66/1097859066.db2.gz DNRJZEGWGSCDFW-UHFFFAOYSA-N -1 0 328.309 2.553 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(F)c1 ZINC001608196978 1097859108 /nfs/dbraw/zinc/85/91/08/1097859108.db2.gz MJFMEVUNSBGNFL-AWEZNQCLSA-N -1 0 349.264 2.828 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1Cl ZINC001608200810 1097860769 /nfs/dbraw/zinc/86/07/69/1097860769.db2.gz PXEFZLVAOYEKEY-HNNXBMFYSA-N -1 0 346.745 2.776 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2ncc(C(=O)[O-])c3ccccc32)cc1 ZINC001608203969 1097861513 /nfs/dbraw/zinc/86/15/13/1097861513.db2.gz MVRXOUQGFAMNBQ-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3nsnc3c2)C(=O)[O-])cc1 ZINC001608203415 1097861540 /nfs/dbraw/zinc/86/15/40/1097861540.db2.gz MFSYVJMPSWIYEV-AWEZNQCLSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ncsc2C2CC2)C(=O)[O-])cc1 ZINC001608203431 1097861653 /nfs/dbraw/zinc/86/16/53/1097861653.db2.gz MNFAVCKJIGWRAV-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)nc1 ZINC001608204285 1097861812 /nfs/dbraw/zinc/86/18/12/1097861812.db2.gz YKXOLYKHTADTCA-UHFFFAOYSA-N -1 0 349.390 2.600 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cccc3ccc(=O)[nH]c32)C(=O)[O-])cc1 ZINC001608203911 1097861821 /nfs/dbraw/zinc/86/18/21/1097861821.db2.gz XZZRTKOWJLFEOD-KRWDZBQOSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCc3ccc(CC(=O)[O-])cc3)CC2)cc1 ZINC001608203729 1097862174 /nfs/dbraw/zinc/86/21/74/1097862174.db2.gz TUYKAGBICOOYGU-UHFFFAOYSA-N -1 0 334.375 2.533 20 30 EFEDRM N#Cc1ccc(CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001608204979 1097862806 /nfs/dbraw/zinc/86/28/06/1097862806.db2.gz SZRRDQFAVJXDHX-HOTGVXAUSA-N -1 0 326.396 2.940 20 30 EFEDRM N#Cc1ccc(CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001608204987 1097862838 /nfs/dbraw/zinc/86/28/38/1097862838.db2.gz SZRRDQFAVJXDHX-JKSUJKDBSA-N -1 0 326.396 2.940 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC001608206987 1097862987 /nfs/dbraw/zinc/86/29/87/1097862987.db2.gz SNQVRPOAXQUUKP-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001608207316 1097863116 /nfs/dbraw/zinc/86/31/16/1097863116.db2.gz YXGHVMGMQDZIBY-OAHLLOKOSA-N -1 0 330.290 2.782 20 30 EFEDRM N#Cc1ccc(N2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)cc1 ZINC001608206521 1097863219 /nfs/dbraw/zinc/86/32/19/1097863219.db2.gz VJGCYHMGZGIGEA-UHFFFAOYSA-N -1 0 342.786 2.631 20 30 EFEDRM N#Cc1ccc(N(CCc2ccccc2)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001608207222 1097863334 /nfs/dbraw/zinc/86/33/34/1097863334.db2.gz NBZQFIGCFDDICP-UHFFFAOYSA-N -1 0 325.324 2.600 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N(CC(=O)[O-])C2CCCC2)cc1 ZINC001608205752 1097863408 /nfs/dbraw/zinc/86/34/08/1097863408.db2.gz MDVBUHVKDXGBRU-UHFFFAOYSA-N -1 0 332.425 2.647 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001608206140 1097863414 /nfs/dbraw/zinc/86/34/14/1097863414.db2.gz BYNMKXULESXXOQ-DVOMOZLQSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)c(OC(F)F)c1 ZINC001608207800 1097864080 /nfs/dbraw/zinc/86/40/80/1097864080.db2.gz SIIAALYWOZTHGF-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(OCC(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC001608210290 1097864086 /nfs/dbraw/zinc/86/40/86/1097864086.db2.gz KGKSFHNMNQKIIZ-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1Br ZINC001608208254 1097864235 /nfs/dbraw/zinc/86/42/35/1097864235.db2.gz MJZHLNMTMIVYNY-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001608210255 1097864313 /nfs/dbraw/zinc/86/43/13/1097864313.db2.gz JDYKDBAUVLITTE-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])c2)cc1 ZINC001608209429 1097864427 /nfs/dbraw/zinc/86/44/27/1097864427.db2.gz QVDDVUSIIDLKMM-RHSMWYFYSA-N -1 0 335.363 2.752 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)c3cc(C(=O)[O-])no3)n2)c1 ZINC001608214353 1097864830 /nfs/dbraw/zinc/86/48/30/1097864830.db2.gz NDTOBNHUWLOKHH-UHFFFAOYSA-N -1 0 340.320 2.620 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C2 ZINC001608214378 1097864875 /nfs/dbraw/zinc/86/48/75/1097864875.db2.gz NYKAYLGGVWGMQM-UHFFFAOYSA-N -1 0 339.326 2.872 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001608213146 1097864941 /nfs/dbraw/zinc/86/49/41/1097864941.db2.gz ISKNVIPRFLBBEJ-UHFFFAOYSA-N -1 0 340.404 2.594 20 30 EFEDRM N#Cc1cccc([C@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1 ZINC001608214511 1097864994 /nfs/dbraw/zinc/86/49/94/1097864994.db2.gz BPEZNVFSDKTESI-INIZCTEOSA-N -1 0 327.409 2.809 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c[nH]c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001608216326 1097865958 /nfs/dbraw/zinc/86/59/58/1097865958.db2.gz HRISTUOISZJTBL-LBPRGKRZSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](c3ccsc3)C2)c1 ZINC001608215896 1097866087 /nfs/dbraw/zinc/86/60/87/1097866087.db2.gz TUEDTXSCOTXOJG-JKSUJKDBSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)CCc3ccccc3C(=O)[O-])CC2)c1 ZINC001608216014 1097866245 /nfs/dbraw/zinc/86/62/45/1097866245.db2.gz CNMUEJLPQWPYKI-UHFFFAOYSA-N -1 0 334.375 2.995 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001608218018 1097867080 /nfs/dbraw/zinc/86/70/80/1097867080.db2.gz CGGUDFJSBOVOGL-ZWKOTPCHSA-N -1 0 346.386 2.945 20 30 EFEDRM N#Cc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608217305 1097867162 /nfs/dbraw/zinc/86/71/62/1097867162.db2.gz XOINAOZYICOEBT-HNNXBMFYSA-N -1 0 327.315 2.687 20 30 EFEDRM N#Cc1cccc(NC(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001608217214 1097867213 /nfs/dbraw/zinc/86/72/13/1097867213.db2.gz RFDQDPVHRNAQCG-UHFFFAOYSA-N -1 0 340.339 2.656 20 30 EFEDRM N#Cc1cccc(C2(C(=O)OCC(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001608216554 1097867402 /nfs/dbraw/zinc/86/74/02/1097867402.db2.gz MONPHSNJARNATP-UHFFFAOYSA-N -1 0 349.342 2.714 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2cccc(C(=O)[O-])c2Cl)c1 ZINC001608217075 1097867540 /nfs/dbraw/zinc/86/75/40/1097867540.db2.gz KPBDGLFREYVIBQ-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001608218037 1097867551 /nfs/dbraw/zinc/86/75/51/1097867551.db2.gz CJJXVSJDXBCCIW-GJZGRUSLSA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2csc(C3CC3)n2)C(=O)[O-])c1 ZINC001608216796 1097867561 /nfs/dbraw/zinc/86/75/61/1097867561.db2.gz VOPCOVBFFHDTDV-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCSc2ccccn2)C(=O)[O-])c1 ZINC001608216753 1097867576 /nfs/dbraw/zinc/86/75/76/1097867576.db2.gz TYNJJWYJNCWGEO-MRXNPFEDSA-N -1 0 342.376 2.805 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2CCOc3ccccc32)C(=O)[O-])c1 ZINC001608216797 1097867649 /nfs/dbraw/zinc/86/76/49/1097867649.db2.gz VQFPJPXSSDFVHR-DOTOQJQBSA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001608216658 1097867812 /nfs/dbraw/zinc/86/78/12/1097867812.db2.gz PSBIMHBCAVJCQR-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001608218628 1097868533 /nfs/dbraw/zinc/86/85/33/1097868533.db2.gz UIDKYKNOTRVSQB-UHFFFAOYSA-N -1 0 342.351 2.715 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001608218457 1097868724 /nfs/dbraw/zinc/86/87/24/1097868724.db2.gz PMZOVCIGODTMCE-UHFFFAOYSA-N -1 0 343.379 2.905 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001608220344 1097868847 /nfs/dbraw/zinc/86/88/47/1097868847.db2.gz XADWJHWSMMPRHA-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C2 ZINC001608221525 1097869361 /nfs/dbraw/zinc/86/93/61/1097869361.db2.gz WTUOYGCANGBXKU-UHFFFAOYSA-N -1 0 339.326 2.872 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001608223128 1097869424 /nfs/dbraw/zinc/86/94/24/1097869424.db2.gz OSAOMKKGIOHXDR-OAHLLOKOSA-N -1 0 327.771 2.791 20 30 EFEDRM N#Cc1cn(CCOc2ccccc2C(=O)[O-])c(=O)c2ccccc12 ZINC001608222906 1097869521 /nfs/dbraw/zinc/86/95/21/1097869521.db2.gz KWWKSMUIVVLDRG-UHFFFAOYSA-N -1 0 334.331 2.650 20 30 EFEDRM N#Cc1cnc(N2Cc3ccc(C(=O)[O-])cc3C2)c(Br)c1 ZINC001608223066 1097869689 /nfs/dbraw/zinc/86/96/89/1097869689.db2.gz QLHATAZHBVUTAO-UHFFFAOYSA-N -1 0 344.168 2.934 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(CC(=O)[O-])cc3)c21 ZINC001608221345 1097869737 /nfs/dbraw/zinc/86/97/37/1097869737.db2.gz SNMZSQZTJHJDIB-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#Cc1ccnc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001608221757 1097869977 /nfs/dbraw/zinc/86/99/77/1097869977.db2.gz PWTIMRSHQGGFPU-UHFFFAOYSA-N -1 0 349.390 2.746 20 30 EFEDRM N#Cc1sc(NC(=O)NCCCCCCC(=O)[O-])nc1Cl ZINC001608225508 1097870629 /nfs/dbraw/zinc/87/06/29/1097870629.db2.gz ZTJYMCQOCYWCIY-UHFFFAOYSA-N -1 0 330.797 2.825 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@@H](O)c2ccccc2)CC1 ZINC001608224432 1097870768 /nfs/dbraw/zinc/87/07/68/1097870768.db2.gz XAFZKIDSXLYKHH-SFHVURJKSA-N -1 0 337.379 2.601 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCc1cccc(C(F)(F)F)n1 ZINC001608223946 1097870935 /nfs/dbraw/zinc/87/09/35/1097870935.db2.gz ISHMHOUWIBUSEG-UHFFFAOYSA-N -1 0 336.273 2.720 20 30 EFEDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1 ZINC001608415989 1097915804 /nfs/dbraw/zinc/91/58/04/1097915804.db2.gz TYMYRKKWACUZLK-YESZJQIVSA-N -1 0 342.395 2.569 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)cc1 ZINC001608758182 1098011779 /nfs/dbraw/zinc/01/17/79/1098011779.db2.gz SSLRMHFSEZYCMC-YVMONPNESA-N -1 0 326.352 2.653 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2nc(Br)ccc2F)c[nH]1 ZINC001608841130 1098040273 /nfs/dbraw/zinc/04/02/73/1098040273.db2.gz BGQPWONKTCBTSO-IWQZZHSRSA-N -1 0 339.120 2.906 20 30 EFEDRM O=C([O-])c1ccc(Br)c(NN=Cc2ccc(O)cn2)c1 ZINC001608870902 1098050908 /nfs/dbraw/zinc/05/09/08/1098050908.db2.gz UKDABIPFICNWKC-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM O=C([O-])c1ccc(C=NOC2CCOCC2)cc1Br ZINC001608879112 1098055383 /nfs/dbraw/zinc/05/53/83/1098055383.db2.gz QBGNVNCKMRTMSZ-UHFFFAOYSA-N -1 0 328.162 2.677 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCCN2C(=O)c1cccc(C#CCO)c1 ZINC001608919843 1098072383 /nfs/dbraw/zinc/07/23/83/1098072383.db2.gz DFFWVKXIRIGLBV-UHFFFAOYSA-N -1 0 349.386 2.712 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2ccc3c(n2)CCCC3)c1 ZINC001608927928 1098076941 /nfs/dbraw/zinc/07/69/41/1098076941.db2.gz KUXWFRZOWLMAAE-UHFFFAOYSA-N -1 0 335.359 2.867 20 30 EFEDRM O=C([O-])c1coc(C=NN2C(=S)N=NC2c2ccccc2F)c1 ZINC001608987444 1098100078 /nfs/dbraw/zinc/10/00/78/1098100078.db2.gz PWWUCKSVOJIDRI-UHFFFAOYSA-N -1 0 332.316 2.546 20 30 EFEDRM O=C([O-])c1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1Cl ZINC001609032093 1098118216 /nfs/dbraw/zinc/11/82/16/1098118216.db2.gz VNYVXAPKOZVULI-UHFFFAOYSA-N -1 0 335.787 2.876 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057708 1098124697 /nfs/dbraw/zinc/12/46/97/1098124697.db2.gz DFILNUCDECLBML-IRXDYDNUSA-N -1 0 341.338 2.702 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2nc3ccccc3s2)o1 ZINC001609061369 1098127781 /nfs/dbraw/zinc/12/77/81/1098127781.db2.gz ACJGZSIUFAWOBN-UHFFFAOYSA-N -1 0 340.372 2.609 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3ccccc3c2O)o1 ZINC001609061539 1098127862 /nfs/dbraw/zinc/12/78/62/1098127862.db2.gz JZFXGGDUOSGDPI-UHFFFAOYSA-N -1 0 349.354 2.858 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001609076312 1098134184 /nfs/dbraw/zinc/13/41/84/1098134184.db2.gz HPKVYQZOPAVHDS-MRXNPFEDSA-N -1 0 328.412 2.565 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001609089040 1098138201 /nfs/dbraw/zinc/13/82/01/1098138201.db2.gz BUQZJHRRLYIXMT-MRXNPFEDSA-N -1 0 349.452 2.706 20 30 EFEDRM C#CCCN(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC001609106864 1098148042 /nfs/dbraw/zinc/14/80/42/1098148042.db2.gz RVDHQAYMMKYOSQ-UHFFFAOYSA-N -1 0 327.302 2.732 20 30 EFEDRM C#CCN(CC1CC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001609153035 1098171595 /nfs/dbraw/zinc/17/15/95/1098171595.db2.gz VGOHFNLVVUAVRU-MRXNPFEDSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CCOCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001609162185 1098175716 /nfs/dbraw/zinc/17/57/16/1098175716.db2.gz LFLSJCMVLXXASC-QGZVFWFLSA-N -1 0 325.364 2.512 20 30 EFEDRM C#CCOc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001609167555 1098180024 /nfs/dbraw/zinc/18/00/24/1098180024.db2.gz HRPOXIYKMFQJRS-UHFFFAOYSA-N -1 0 325.364 2.798 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001609167604 1098181818 /nfs/dbraw/zinc/18/18/18/1098181818.db2.gz MBMFBOVXRJIVFH-UHFFFAOYSA-N -1 0 348.374 2.994 20 30 EFEDRM C#CCOc1cccc(Cl)c1CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001609167734 1098181862 /nfs/dbraw/zinc/18/18/62/1098181862.db2.gz XPTQGTUCOWOPTB-HNNXBMFYSA-N -1 0 339.819 2.662 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)c1 ZINC001609189959 1098189300 /nfs/dbraw/zinc/18/93/00/1098189300.db2.gz NNFNXZDQZHMZAL-INIZCTEOSA-N -1 0 340.404 2.731 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001609189860 1098189555 /nfs/dbraw/zinc/18/95/55/1098189555.db2.gz HFZGXWLWEAEJSG-LJQANCHMSA-N -1 0 335.403 2.803 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609190090 1098189951 /nfs/dbraw/zinc/18/99/51/1098189951.db2.gz WZDIRKMLGBHCIA-BEFAXECRSA-N -1 0 335.403 2.659 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001609226829 1098213918 /nfs/dbraw/zinc/21/39/18/1098213918.db2.gz XKGMYXYJCYJMOA-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=C(C)CNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001609248359 1098221471 /nfs/dbraw/zinc/22/14/71/1098221471.db2.gz PKFVTCVQELCGBJ-UHFFFAOYSA-N -1 0 331.397 2.884 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001609259545 1098228553 /nfs/dbraw/zinc/22/85/53/1098228553.db2.gz XPVTUZUQBUVOGV-UHFFFAOYSA-N -1 0 344.603 2.722 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609320490 1098246673 /nfs/dbraw/zinc/24/66/73/1098246673.db2.gz OCLCFVXTTMRRIX-HOTGVXAUSA-N -1 0 348.468 2.633 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CCCC1 ZINC001609320297 1098246702 /nfs/dbraw/zinc/24/67/02/1098246702.db2.gz FFHPLFKVZDUCOD-UHFFFAOYSA-N -1 0 344.411 2.505 20 30 EFEDRM C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001609324636 1098248799 /nfs/dbraw/zinc/24/87/99/1098248799.db2.gz HXQHHDCKWSKOFZ-OAGGEKHMSA-N -1 0 342.395 2.821 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001609329401 1098249359 /nfs/dbraw/zinc/24/93/59/1098249359.db2.gz XNFRJRLMJCAFJX-UHFFFAOYSA-N -1 0 338.429 2.898 20 30 EFEDRM C=CCCN(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001609340979 1098255087 /nfs/dbraw/zinc/25/50/87/1098255087.db2.gz NITWWBRYOLFGJI-UHFFFAOYSA-N -1 0 345.182 2.665 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001609371370 1098270324 /nfs/dbraw/zinc/27/03/24/1098270324.db2.gz AJVHTABFQHCHHS-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM C=CCNN=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001609407297 1098295296 /nfs/dbraw/zinc/29/52/96/1098295296.db2.gz ZFYFVHBBXWKGRE-UHFFFAOYSA-N -1 0 330.340 2.675 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001609442961 1098326869 /nfs/dbraw/zinc/32/68/69/1098326869.db2.gz MJKMBVKKISCNTP-GOSISDBHSA-N -1 0 337.375 2.643 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1c(Cl)cccc1Cl ZINC001609445490 1098329078 /nfs/dbraw/zinc/32/90/78/1098329078.db2.gz ILKBCWPSSZEVCL-UHFFFAOYSA-N -1 0 334.170 2.598 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001609460052 1098336953 /nfs/dbraw/zinc/33/69/53/1098336953.db2.gz DGMDFDCTCSXOBD-UHFFFAOYSA-N -1 0 343.335 2.710 20 30 EFEDRM C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001609470235 1098342268 /nfs/dbraw/zinc/34/22/68/1098342268.db2.gz KRRJNPLYVDAYPM-IBGZPJMESA-N -1 0 340.427 2.664 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc(Cl)ccc2O)C1=O ZINC001269686175 1098359467 /nfs/dbraw/zinc/35/94/67/1098359467.db2.gz HXAQRPIDURYOAD-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM CC(=NOCc1noc2c1CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC001609567746 1098382791 /nfs/dbraw/zinc/38/27/91/1098382791.db2.gz GTUIGPQPFUMGQB-UHFFFAOYSA-N -1 0 344.367 2.958 20 30 EFEDRM C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001609631567 1098410049 /nfs/dbraw/zinc/41/00/49/1098410049.db2.gz IAZCQRPTSXAEBL-MNOVXSKESA-N -1 0 331.397 2.983 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609631053 1098410072 /nfs/dbraw/zinc/41/00/72/1098410072.db2.gz NLZZYKMBEPVNGG-HXUWFJFHSA-N -1 0 336.391 2.959 20 30 EFEDRM CC(C)(C#N)CC(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001609647514 1098415529 /nfs/dbraw/zinc/41/55/29/1098415529.db2.gz RZISYDHMXJSQHR-UHFFFAOYSA-N -1 0 325.748 2.900 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001609671162 1098421973 /nfs/dbraw/zinc/42/19/73/1098421973.db2.gz ZMVRDVMIBYMPQO-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM CC(C)N(C)c1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001609704253 1098432283 /nfs/dbraw/zinc/43/22/83/1098432283.db2.gz CQUKQMJWOQXERZ-UHFFFAOYSA-N -1 0 344.415 2.753 20 30 EFEDRM CC(C)Oc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cn1 ZINC001609714047 1098435391 /nfs/dbraw/zinc/43/53/91/1098435391.db2.gz ZMSFGBDGRSAGLQ-UHFFFAOYSA-N -1 0 340.335 2.796 20 30 EFEDRM C[C@H](C1CC1)N(C(=O)CON=Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001609725249 1098438808 /nfs/dbraw/zinc/43/88/08/1098438808.db2.gz TXSFZYWREOAOIV-GFCCVEGCSA-N -1 0 330.384 2.525 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(O)cc(C#N)c1)c1cccc(F)c1 ZINC001609728615 1098440276 /nfs/dbraw/zinc/44/02/76/1098440276.db2.gz KMCNRSRXHUIMDJ-GOSISDBHSA-N -1 0 342.326 2.523 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001609734403 1098442005 /nfs/dbraw/zinc/44/20/05/1098442005.db2.gz XXNDZFGQCIPXQJ-JTQLQIEISA-N -1 0 346.774 2.837 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)c(O)c1)C(=O)[O-] ZINC001609742736 1098444541 /nfs/dbraw/zinc/44/45/41/1098444541.db2.gz ZWDVSMHSHOXAMX-CYBMUJFWSA-N -1 0 338.363 2.627 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)COc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001609755784 1098447433 /nfs/dbraw/zinc/44/74/33/1098447433.db2.gz DCFZQICLXXVGBO-CYBMUJFWSA-N -1 0 338.363 2.839 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C(=O)[O-] ZINC001609756542 1098447966 /nfs/dbraw/zinc/44/79/66/1098447966.db2.gz RMNWUTIXDSFXQP-GFCCVEGCSA-N -1 0 341.371 2.704 20 30 EFEDRM C[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609772567 1098452715 /nfs/dbraw/zinc/45/27/15/1098452715.db2.gz LJNXTBCLWUMYDB-NSHDSACASA-N -1 0 342.326 2.652 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC001609810454 1098465999 /nfs/dbraw/zinc/46/59/99/1098465999.db2.gz QSQUWTIVMKGWKY-YJBOKZPZSA-N -1 0 329.400 2.928 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001609813452 1098466416 /nfs/dbraw/zinc/46/64/16/1098466416.db2.gz DKNAMDVZILVYSC-LJQANCHMSA-N -1 0 344.411 2.821 20 30 EFEDRM CC/C(=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001609881990 1098483647 /nfs/dbraw/zinc/48/36/47/1098483647.db2.gz VDSKXBLGUHTYDN-WYMLVPIESA-N -1 0 342.395 2.706 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2cccc(C#N)c2)NC(=O)N1CC1CC1 ZINC001609945756 1098501469 /nfs/dbraw/zinc/50/14/69/1098501469.db2.gz RWUKRTODOFZINN-MRXNPFEDSA-N -1 0 325.368 2.783 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC001609967181 1098509526 /nfs/dbraw/zinc/50/95/26/1098509526.db2.gz LUNRPUQVQHUTCK-LBPRGKRZSA-N -1 0 344.820 2.523 20 30 EFEDRM CCN(C(=O)c1cc(C#N)cc(N(C)C)c1)c1ccccc1C(=O)[O-] ZINC001609988709 1098515687 /nfs/dbraw/zinc/51/56/87/1098515687.db2.gz ACNAOGMKRKNFRO-UHFFFAOYSA-N -1 0 337.379 2.989 20 30 EFEDRM CCN(C)c1ccc(C(=O)/C=C\c2c(C)n(C)nc2C(=O)[O-])cc1 ZINC001609991032 1098516737 /nfs/dbraw/zinc/51/67/37/1098516737.db2.gz DYASUAWZSAAPRG-KHPPLWFESA-N -1 0 327.384 2.779 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2F)[C@H]1n1cccn1 ZINC001610038743 1098527529 /nfs/dbraw/zinc/52/75/29/1098527529.db2.gz UGNCDEPXQBYRIJ-UKRRQHHQSA-N -1 0 332.335 2.538 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001610041253 1098528867 /nfs/dbraw/zinc/52/88/67/1098528867.db2.gz VOKZPHDIVKEIDW-UHFFFAOYSA-N -1 0 331.372 2.676 20 30 EFEDRM CCc1[nH]c(C(=O)NCc2ccc(C#N)c(F)c2)c(C)c1C(=O)[O-] ZINC001610053418 1098532241 /nfs/dbraw/zinc/53/22/41/1098532241.db2.gz AIDCKQFPJGWCHV-UHFFFAOYSA-N -1 0 329.331 2.525 20 30 EFEDRM CCc1nc(NC(=O)c2cc(C#N)cc(N(C)C)c2)sc1C(=O)[O-] ZINC001610072127 1098538872 /nfs/dbraw/zinc/53/88/72/1098538872.db2.gz BANCJYNHCKPHNM-UHFFFAOYSA-N -1 0 344.396 2.594 20 30 EFEDRM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1nc(CC(=O)[O-])cs1 ZINC001610094848 1098546271 /nfs/dbraw/zinc/54/62/71/1098546271.db2.gz RMQIMWSJPKZPSS-UHFFFAOYSA-N -1 0 335.772 2.572 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001610106394 1098549148 /nfs/dbraw/zinc/54/91/48/1098549148.db2.gz ZSDUQNWCHNFABY-KRWDZBQOSA-N -1 0 330.388 2.608 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001610120380 1098552338 /nfs/dbraw/zinc/55/23/38/1098552338.db2.gz QOAQREPQDNSQAR-UHFFFAOYSA-N -1 0 337.379 2.595 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1nc(Cl)c(C#N)s1 ZINC001610123548 1098553783 /nfs/dbraw/zinc/55/37/83/1098553783.db2.gz GEAFSRFIIPTUMS-UHFFFAOYSA-N -1 0 337.788 2.768 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 ZINC001610124341 1098553790 /nfs/dbraw/zinc/55/37/90/1098553790.db2.gz PWSNXHPXQMUSRV-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(O)cc1Cl ZINC001269982644 1098559633 /nfs/dbraw/zinc/55/96/33/1098559633.db2.gz GWYLSFQHMOBWSL-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)c1cc(COc2ccc(C#N)c(F)c2)cc(C(=O)[O-])c1 ZINC001610201074 1098568759 /nfs/dbraw/zinc/56/87/59/1098568759.db2.gz WZGFJSBBRTVHIO-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001610263077 1098592411 /nfs/dbraw/zinc/59/24/11/1098592411.db2.gz VQOVBOYZSACZJX-AEGPPILISA-N -1 0 332.400 2.885 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001610277595 1098597899 /nfs/dbraw/zinc/59/78/99/1098597899.db2.gz NJPITNXZTOBINY-SFHVURJKSA-N -1 0 344.342 2.536 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001610277039 1098598367 /nfs/dbraw/zinc/59/83/67/1098598367.db2.gz DFLLJTGGRDIZOH-UHFFFAOYSA-N -1 0 348.742 2.976 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001610277840 1098598615 /nfs/dbraw/zinc/59/86/15/1098598615.db2.gz SFESPCSVAHOJBB-QGZVFWFLSA-N -1 0 340.379 2.839 20 30 EFEDRM COc1cc(C)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610293104 1098605891 /nfs/dbraw/zinc/60/58/91/1098605891.db2.gz ITSZRSALTOUICM-MRXNPFEDSA-N -1 0 325.320 2.858 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cc1NC(C)=O ZINC001610311624 1098614813 /nfs/dbraw/zinc/61/48/13/1098614813.db2.gz FSBWGIGFPYLUSA-XQRVVYSFSA-N -1 0 342.351 2.586 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)c(C)c1OC ZINC001610311863 1098616058 /nfs/dbraw/zinc/61/60/58/1098616058.db2.gz LJOUKNWDJMSAMJ-FNORWQNLSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1ccc(CNC(=O)NCC(C)(C)CCC#N)cc1C(=O)[O-] ZINC001610332699 1098625666 /nfs/dbraw/zinc/62/56/66/1098625666.db2.gz LVZMNTNTHNDEST-UHFFFAOYSA-N -1 0 333.388 2.523 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610335231 1098625836 /nfs/dbraw/zinc/62/58/36/1098625836.db2.gz XPJVRNBXKZAHEN-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1Cl ZINC001610341725 1098628406 /nfs/dbraw/zinc/62/84/06/1098628406.db2.gz LOMHUQMPXFGILI-UHFFFAOYSA-N -1 0 337.763 2.571 20 30 EFEDRM COc1cccc(C(=O)/C(=C\c2c[nH]c(C(=O)[O-])c2)c2ncc[nH]2)c1 ZINC001610352921 1098633675 /nfs/dbraw/zinc/63/36/75/1098633675.db2.gz GRZDGWOLDRYAHX-VGOFMYFVSA-N -1 0 337.335 2.868 20 30 EFEDRM COc1ncc(CSCc2cccc(C(=O)[O-])c2C#N)c(C)n1 ZINC001610371467 1098644465 /nfs/dbraw/zinc/64/44/65/1098644465.db2.gz YCDOXIMHZRQGJQ-UHFFFAOYSA-N -1 0 329.381 2.797 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610397528 1098654722 /nfs/dbraw/zinc/65/47/22/1098654722.db2.gz OOIWPNHPOPZXOX-LBPRGKRZSA-N -1 0 344.396 2.635 20 30 EFEDRM Cc1[nH]c(C2=NNC(=Nc3ccccn3)S[C@@H]2C)c(C)c1C(=O)[O-] ZINC001610404019 1098657864 /nfs/dbraw/zinc/65/78/64/1098657864.db2.gz HVEVOMMUHWVUSZ-SNVBAGLBSA-N -1 0 343.412 2.841 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610407022 1098661109 /nfs/dbraw/zinc/66/11/09/1098661109.db2.gz MFAQHTKZEUFLPA-UHFFFAOYSA-N -1 0 326.264 2.692 20 30 EFEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)nnn1-c1ccccc1 ZINC001610407286 1098661227 /nfs/dbraw/zinc/66/12/27/1098661227.db2.gz VBCNBDNPCWYLON-CMDGGOBGSA-N -1 0 336.351 2.509 20 30 EFEDRM Cc1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cccc1[N+](=O)[O-] ZINC001610410048 1098662768 /nfs/dbraw/zinc/66/27/68/1098662768.db2.gz LRPWQMJTFNEHMK-UHFFFAOYSA-N -1 0 340.291 2.830 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])nn1C ZINC001610410030 1098663085 /nfs/dbraw/zinc/66/30/85/1098663085.db2.gz BCTWGKYCBNYEDR-AATRIKPKSA-N -1 0 349.730 2.884 20 30 EFEDRM Cc1c(NC(=O)CSCC#N)cc(Br)cc1C(=O)[O-] ZINC001610421149 1098667083 /nfs/dbraw/zinc/66/70/83/1098667083.db2.gz VYFYIWAWMIWRMO-UHFFFAOYSA-N -1 0 343.202 2.651 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001610432774 1098673432 /nfs/dbraw/zinc/67/34/32/1098673432.db2.gz MYQAGVHTLISZEE-UHFFFAOYSA-N -1 0 328.328 2.610 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001610433480 1098674656 /nfs/dbraw/zinc/67/46/56/1098674656.db2.gz XDUCWRIEBRLGSV-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(Cl)c1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC001610439929 1098677443 /nfs/dbraw/zinc/67/74/43/1098677443.db2.gz KGCSJWVBLCSHEB-MRXNPFEDSA-N -1 0 335.791 2.567 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])ccc1F ZINC001610447478 1098683799 /nfs/dbraw/zinc/68/37/99/1098683799.db2.gz OAAMHSHEBMKJRW-HNNXBMFYSA-N -1 0 348.280 2.840 20 30 EFEDRM Cc1cc(/C=C2/CCc3nn(C)cc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001610457414 1098689889 /nfs/dbraw/zinc/68/98/89/1098689889.db2.gz FOONLUBFIQZHPA-ZSOIEALJSA-N -1 0 340.379 2.713 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2c1 ZINC001610462425 1098693227 /nfs/dbraw/zinc/69/32/27/1098693227.db2.gz HZQVQFHEUKDSDT-IMRBUKKESA-N -1 0 327.771 2.835 20 30 EFEDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)n2c3ccccc3nc2c1C#N ZINC001610468720 1098695775 /nfs/dbraw/zinc/69/57/75/1098695775.db2.gz AYIKFIYURHTPPE-CHWSQXEVSA-N -1 0 334.379 2.967 20 30 EFEDRM Cc1ccc(-c2nc(CN3CCC(C#N)(C(=O)[O-])CC3)co2)cc1 ZINC001610482790 1098703128 /nfs/dbraw/zinc/70/31/28/1098703128.db2.gz OKNBBNGRHJRQHF-UHFFFAOYSA-N -1 0 325.368 2.840 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cc(F)cc(C#N)c1 ZINC001610487567 1098706494 /nfs/dbraw/zinc/70/64/94/1098706494.db2.gz IISZDEIZBNLRME-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c(Br)c1 ZINC001610500554 1098707999 /nfs/dbraw/zinc/70/79/99/1098707999.db2.gz HNFNVIHHCNHKKT-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)NCC#Cc2ccccc2)cc1 ZINC001610493955 1098711759 /nfs/dbraw/zinc/71/17/59/1098711759.db2.gz UPMSQIHWJJVFPR-GOSISDBHSA-N -1 0 336.391 2.862 20 30 EFEDRM Cc1ccc2[nH]cc(CCC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001610515368 1098726356 /nfs/dbraw/zinc/72/63/56/1098726356.db2.gz KNYPKRYWZKPRAN-UHFFFAOYSA-N -1 0 339.395 2.626 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNC(=S)Nc2ccccc2C)n1C ZINC001610532053 1098736778 /nfs/dbraw/zinc/73/67/78/1098736778.db2.gz HBEMBTVICBYBMB-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1nc2ccccc2n1CCCNc1ccc(C(=O)[O-])nc1C#N ZINC001610561831 1098753966 /nfs/dbraw/zinc/75/39/66/1098753966.db2.gz VWOQIZVIAHROBU-UHFFFAOYSA-N -1 0 335.367 2.812 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610578542 1098763686 /nfs/dbraw/zinc/76/36/86/1098763686.db2.gz QTIOHVZGDCQDBV-NHYWBVRUSA-N -1 0 326.352 2.522 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610579391 1098765487 /nfs/dbraw/zinc/76/54/87/1098765487.db2.gz BTRXFLMAKJTPJN-AWEZNQCLSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1oc(CN(C)C(=O)CCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610579776 1098765507 /nfs/dbraw/zinc/76/55/07/1098765507.db2.gz FWUSWQKOTQSCEQ-UHFFFAOYSA-N -1 0 326.352 2.749 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC001610617535 1098785850 /nfs/dbraw/zinc/78/58/50/1098785850.db2.gz HXDZGFLOLIFGMY-UHFFFAOYSA-N -1 0 344.264 2.675 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC001610617694 1098786281 /nfs/dbraw/zinc/78/62/81/1098786281.db2.gz KGDXGUVSIACDQM-UHFFFAOYSA-N -1 0 345.157 2.963 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC001610617487 1098786502 /nfs/dbraw/zinc/78/65/02/1098786502.db2.gz FTTWFIZOBJIPMR-UHFFFAOYSA-N -1 0 342.326 2.916 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001610619360 1098786567 /nfs/dbraw/zinc/78/65/67/1098786567.db2.gz SZNZUJHAABLAOV-KGLIPLIRSA-N -1 0 332.787 2.660 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610618729 1098786741 /nfs/dbraw/zinc/78/67/41/1098786741.db2.gz IUAFNUGVJPVEFI-IAGOWNOFSA-N -1 0 341.436 2.756 20 30 EFEDRM N#CC1CCC(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001610620459 1098787768 /nfs/dbraw/zinc/78/77/68/1098787768.db2.gz NGWXBHRWSKCEGP-UHFFFAOYSA-N -1 0 341.411 2.782 20 30 EFEDRM N#CCCN(CCC#N)Cc1ccc(C(=O)[O-])cc1Br ZINC001610621845 1098787975 /nfs/dbraw/zinc/78/79/75/1098787975.db2.gz XBNJWJDMTAFHDN-UHFFFAOYSA-N -1 0 336.189 2.777 20 30 EFEDRM N#CC1(CC(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001610620061 1098787989 /nfs/dbraw/zinc/78/79/89/1098787989.db2.gz WNFAUPCDRDQVFG-ZBFHGGJFSA-N -1 0 326.396 2.760 20 30 EFEDRM N#Cc1c(CN(Cc2cccc(C(N)=O)c2)C2CC2)cccc1C(=O)[O-] ZINC001610622959 1098788004 /nfs/dbraw/zinc/78/80/04/1098788004.db2.gz GTWZQXCURDIRRH-UHFFFAOYSA-N -1 0 349.390 2.520 20 30 EFEDRM N#CCc1cccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001610624569 1098788859 /nfs/dbraw/zinc/78/88/59/1098788859.db2.gz UHOJJKPJZSMVOQ-RMKNXTFCSA-N -1 0 343.360 2.618 20 30 EFEDRM N#Cc1c(COC(=O)Cc2noc3ccccc23)cccc1C(=O)[O-] ZINC001610624678 1098789252 /nfs/dbraw/zinc/78/92/52/1098789252.db2.gz AJOHPPRTKCYNEI-UHFFFAOYSA-N -1 0 336.303 2.684 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccsc2C(=O)[O-])c1 ZINC001610623237 1098789336 /nfs/dbraw/zinc/78/93/36/1098789336.db2.gz LFJCZTPPSQOCLR-UHFFFAOYSA-N -1 0 331.349 2.635 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC001610623330 1098789680 /nfs/dbraw/zinc/78/96/80/1098789680.db2.gz LZESYRFNDMQRMV-VHSXEESVSA-N -1 0 337.763 2.617 20 30 EFEDRM N#Cc1c(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn2ccccc12 ZINC001610625446 1098790508 /nfs/dbraw/zinc/79/05/08/1098790508.db2.gz VCWCQWJCZNIMME-UHFFFAOYSA-N -1 0 337.291 2.996 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCn2ccc3cc(Cl)ccc32)c1=O ZINC001610625261 1098790603 /nfs/dbraw/zinc/79/06/03/1098790603.db2.gz MBRZVPIVZWBKAP-UHFFFAOYSA-N -1 0 341.754 2.726 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nc1 ZINC001610626420 1098790668 /nfs/dbraw/zinc/79/06/68/1098790668.db2.gz JRERMEWJZGLYPD-MAUKXSAKSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)ccn1 ZINC001610624983 1098791290 /nfs/dbraw/zinc/79/12/90/1098791290.db2.gz FYNUNNXJRHHCDW-OAHLLOKOSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1ccc(C2(C(=O)OCC(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001610627862 1098791984 /nfs/dbraw/zinc/79/19/84/1098791984.db2.gz SOMGJRGIOXNDKI-UHFFFAOYSA-N -1 0 349.342 2.714 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Cl ZINC001610626689 1098792291 /nfs/dbraw/zinc/79/22/91/1098792291.db2.gz PZPLWSNJDJWACA-CYBMUJFWSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1cc(Cl)cc(Br)c1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610626706 1098792405 /nfs/dbraw/zinc/79/24/05/1098792405.db2.gz ZMKLGAQRCHOUNF-JZYVYDRUSA-N -1 0 341.592 2.741 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccnc(C(=O)[O-])c2)c(OC(F)F)c1 ZINC001610627276 1098792695 /nfs/dbraw/zinc/79/26/95/1098792695.db2.gz UHPSWFHBRYXOJZ-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2cccc(CC(=O)[O-])c2)C2CC2)cc1 ZINC001610627547 1098793126 /nfs/dbraw/zinc/79/31/26/1098793126.db2.gz BBRRUTPBFGZNNG-UHFFFAOYSA-N -1 0 334.375 2.990 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001610627470 1098793140 /nfs/dbraw/zinc/79/31/40/1098793140.db2.gz IHVGCONTDWBDQO-NRFANRHFSA-N -1 0 348.402 2.746 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCCCCCC(=O)[O-] ZINC001610630934 1098793896 /nfs/dbraw/zinc/79/38/96/1098793896.db2.gz FLWKWAKDOCYMLB-MRXNPFEDSA-N -1 0 329.400 2.880 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN[C@H](C(=O)[O-])C3CCCCC3)o2)c1 ZINC001610631400 1098794443 /nfs/dbraw/zinc/79/44/43/1098794443.db2.gz ONYHNRLDCDNAHB-INIZCTEOSA-N -1 0 340.383 2.731 20 30 EFEDRM N#Cc1ccc(SCC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001610630950 1098794550 /nfs/dbraw/zinc/79/45/50/1098794550.db2.gz GIPJOHUDIRPCLC-UHFFFAOYSA-N -1 0 344.367 2.907 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)n2)c1 ZINC001610631904 1098795522 /nfs/dbraw/zinc/79/55/22/1098795522.db2.gz ZRDJWXIEBWVGLK-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3nsnc3c2)C(=O)[O-])c1 ZINC001610631878 1098795593 /nfs/dbraw/zinc/79/55/93/1098795593.db2.gz LBXNJZTXQCROHJ-AWEZNQCLSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC001610632742 1098795886 /nfs/dbraw/zinc/79/58/86/1098795886.db2.gz UJNFTXGYPNEYNJ-KRWDZBQOSA-N -1 0 344.411 2.963 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(Cl)c2O)C(=O)[O-])c1 ZINC001610631674 1098796261 /nfs/dbraw/zinc/79/62/61/1098796261.db2.gz HNYQPLQGQCUGDK-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(Cl)c1 ZINC001610633256 1098796843 /nfs/dbraw/zinc/79/68/43/1098796843.db2.gz DMDKNFVSPKGOML-ZDUSSCGKSA-N -1 0 335.791 2.760 20 30 EFEDRM NC(=NOCc1occc1C(=O)[O-])c1ccc(Br)cc1 ZINC001610635924 1098797513 /nfs/dbraw/zinc/79/75/13/1098797513.db2.gz GZTPLLZHEOMMRP-UHFFFAOYSA-N -1 0 339.145 2.577 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001610633790 1098797633 /nfs/dbraw/zinc/79/76/33/1098797633.db2.gz YXZOJVMFSZWUAM-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cnc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(Cl)c1 ZINC001610633882 1098797639 /nfs/dbraw/zinc/79/76/39/1098797639.db2.gz UXQVIAIRCDXZQP-CYBMUJFWSA-N -1 0 335.722 2.690 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001610633791 1098797705 /nfs/dbraw/zinc/79/77/05/1098797705.db2.gz YXZOJVMFSZWUAM-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM O=C([O-])CCCOc1ccc(CNC(=O)C#Cc2cccs2)cc1 ZINC001610770674 1098877628 /nfs/dbraw/zinc/87/76/28/1098877628.db2.gz HPUNSXYBISSWTM-UHFFFAOYSA-N -1 0 343.404 2.660 20 30 EFEDRM O=C([O-])CCCc1csc(NC(=O)CC#Cc2ccccc2)n1 ZINC001610772855 1098879999 /nfs/dbraw/zinc/87/99/99/1098879999.db2.gz UPLUYTMRVJUBTH-UHFFFAOYSA-N -1 0 328.393 2.931 20 30 EFEDRM O=C([O-])Cn1cccc1C=NNc1ccc(OC(F)(F)F)cc1 ZINC001610800854 1098896274 /nfs/dbraw/zinc/89/62/74/1098896274.db2.gz HOSJRHHPWIQBLO-UHFFFAOYSA-N -1 0 327.262 2.917 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C=NNC(=S)Nc2cccnc2)c1 ZINC001610830456 1098919466 /nfs/dbraw/zinc/91/94/66/1098919466.db2.gz MJGZDCIEVLMUML-UHFFFAOYSA-N -1 0 334.788 2.754 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001610866188 1098945573 /nfs/dbraw/zinc/94/55/73/1098945573.db2.gz LXTFEGXIIRAYLT-UPHRSURJSA-N -1 0 345.263 2.553 20 30 EFEDRM O=C([O-])c1occc1/C=C/C(=O)c1cc2c(s1)SCC(=O)N2 ZINC001610886806 1098959633 /nfs/dbraw/zinc/95/96/33/1098959633.db2.gz LEULAPCLPRGQMK-OWOJBTEDSA-N -1 0 335.362 2.980 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)c[nH]1 ZINC001610886287 1098959672 /nfs/dbraw/zinc/95/96/72/1098959672.db2.gz GFTYGZVXEOHLBB-UPHRSURJSA-N -1 0 334.378 2.715 20 30 EFEDRM C[C@H](c1ccccc1)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001611955564 1099039778 /nfs/dbraw/zinc/03/97/78/1099039778.db2.gz OMXRSNMQDGAQSL-CYBMUJFWSA-N -1 0 347.374 2.889 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)Cc2ccc([S-])cc2)C1=O ZINC001270466842 1099118997 /nfs/dbraw/zinc/11/89/97/1099118997.db2.gz XLFLJWDBJKFBBO-IBGZPJMESA-N -1 0 344.480 2.687 20 30 EFEDRM Cc1cc(Nc2c(C#N)cnn2C2CCOCC2)ccc1C(=O)[O-] ZINC001211652590 1099160735 /nfs/dbraw/zinc/16/07/35/1099160735.db2.gz GPBFMDUAOUODRC-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)c1 ZINC001624325575 1099682897 /nfs/dbraw/zinc/68/28/97/1099682897.db2.gz DHKMJZAOQWYUMI-UHFFFAOYSA-N -1 0 347.378 2.972 20 30 EFEDRM CC(C)CN(CCC#N)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843775682 1100075885 /nfs/dbraw/zinc/07/58/85/1100075885.db2.gz CBRKVMWAEOWPNQ-UHFFFAOYSA-N -1 0 325.752 2.966 20 30 EFEDRM CCc1onc(-c2ccccc2)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001640271333 1101031838 /nfs/dbraw/zinc/03/18/38/1101031838.db2.gz QWVMJBUUYQNBIH-UHFFFAOYSA-N -1 0 332.323 2.623 20 30 EFEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000069362892 1101701459 /nfs/dbraw/zinc/70/14/59/1101701459.db2.gz GWGYFTVSLPYIDF-UHFFFAOYSA-N -1 0 349.231 2.543 20 30 EFEDRM Cc1c(O)cc(O)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1O ZINC000782112489 1102265280 /nfs/dbraw/zinc/26/52/80/1102265280.db2.gz ZXSOHLLGKZNPKN-UHFFFAOYSA-N -1 0 336.731 2.909 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)CCCC1 ZINC000835035919 1102689331 /nfs/dbraw/zinc/68/93/31/1102689331.db2.gz MWKOFEVXTGVMRQ-UHFFFAOYSA-N -1 0 325.405 2.908 20 30 EFEDRM CCOCc1nc(C)cc(N=NC2CCc3cccc(C(=O)[O-])c32)n1 ZINC000905501067 1103244297 /nfs/dbraw/zinc/24/42/97/1103244297.db2.gz XRMAZNGOSNQPHD-UHFFFAOYSA-N -1 0 340.383 2.782 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC000077941917 1103445978 /nfs/dbraw/zinc/44/59/78/1103445978.db2.gz HTCFMULEMUBMLA-UHFFFAOYSA-N -1 0 330.705 2.535 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000906073399 1103905279 /nfs/dbraw/zinc/90/52/79/1103905279.db2.gz CAQNUUNKQBPOPL-NXEZZACHSA-N -1 0 328.459 2.694 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)CCOCC1CC1)CCCC2 ZINC000906075454 1103906758 /nfs/dbraw/zinc/90/67/58/1103906758.db2.gz ZIQFFVAMFAHVSG-UHFFFAOYSA-N -1 0 340.470 2.667 20 30 EFEDRM C=C(C)CN1CCC2(CCN(C(=O)c3ccc(F)cc3[O-])CC2)C1=O ZINC001272268754 1104063752 /nfs/dbraw/zinc/06/37/52/1104063752.db2.gz OKKUBHPYZVGYGF-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM CC(=NN(C)C[C@H](C)O)c1cc(Br)cc(Cl)c1[O-] ZINC000841649427 1104271690 /nfs/dbraw/zinc/27/16/90/1104271690.db2.gz BXZLGOJPVNATOS-ZETCQYMHSA-N -1 0 335.629 2.845 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000729636281 1104641031 /nfs/dbraw/zinc/64/10/31/1104641031.db2.gz FMMZQLRKDFMJRX-UHFFFAOYSA-N -1 0 342.424 2.771 20 30 EFEDRM C=CCNC(=S)NN=C(C)c1cc(Br)cc(F)c1[O-] ZINC000783792903 1104657032 /nfs/dbraw/zinc/65/70/32/1104657032.db2.gz LXNFPFVIQFVYRX-UHFFFAOYSA-N -1 0 346.225 2.668 20 30 EFEDRM CCCn1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000897537940 1105238420 /nfs/dbraw/zinc/23/84/20/1105238420.db2.gz QTPACIPFAMIOSO-UHFFFAOYSA-N -1 0 330.413 2.522 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2ccco2)n1 ZINC000086054967 1105752635 /nfs/dbraw/zinc/75/26/35/1105752635.db2.gz ATDJDVUMZBCAKO-UHFFFAOYSA-N -1 0 326.399 2.980 20 30 EFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)n(C)n1 ZINC000080252280 1107056437 /nfs/dbraw/zinc/05/64/37/1107056437.db2.gz HNCWAFQRFGPXTH-UHFFFAOYSA-N -1 0 341.820 2.890 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(CC)ccc3O)C2)C1=O ZINC001272210180 1107315948 /nfs/dbraw/zinc/31/59/48/1107315948.db2.gz CHRXSTFENHTEKT-HXUWFJFHSA-N -1 0 342.439 2.595 20 30 EFEDRM O=C(CCCCN1CCOCC1)N(O)Cc1ccccc1Cl ZINC000904190451 1107703746 /nfs/dbraw/zinc/70/37/46/1107703746.db2.gz MJXDGIVILDFYCO-UHFFFAOYSA-N -1 0 326.824 2.560 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)c([O-])c1 ZINC001272218488 1107938530 /nfs/dbraw/zinc/93/85/30/1107938530.db2.gz BCVLCMSWLUJLSJ-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C#N)cs1 ZINC000176460728 1108667688 /nfs/dbraw/zinc/66/76/88/1108667688.db2.gz CLNLTPZLEQPYAO-LLVKDONJSA-N -1 0 325.349 2.590 20 30 EFEDRM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(F)c1[O-])CC2 ZINC001272234565 1109141877 /nfs/dbraw/zinc/14/18/77/1109141877.db2.gz QGNVWOIBLXQPGV-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cnn1C ZINC000042233304 1109347995 /nfs/dbraw/zinc/34/79/95/1109347995.db2.gz KJIKNYQVUOSGEB-UHFFFAOYSA-N -1 0 348.211 2.729 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000042235275 1109362599 /nfs/dbraw/zinc/36/25/99/1109362599.db2.gz VGHRIXWYKSKRDO-UHFFFAOYSA-N -1 0 344.392 2.573 20 30 EFEDRM CC[C@@H](Sc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000842323279 1109447031 /nfs/dbraw/zinc/44/70/31/1109447031.db2.gz ILZILFVJAPPMHG-ZIAGYGMSSA-N -1 0 327.409 2.883 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCSc2ccccc21 ZINC000842322706 1109447409 /nfs/dbraw/zinc/44/74/09/1109447409.db2.gz CEWUUAPHVVCQPJ-OLZOCXBDSA-N -1 0 325.393 2.591 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899776172 1109476116 /nfs/dbraw/zinc/47/61/16/1109476116.db2.gz SPLRKFHAFDQJDQ-QLGBWKCPSA-N -1 0 340.379 2.829 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899783031 1109476952 /nfs/dbraw/zinc/47/69/52/1109476952.db2.gz SPNHTCVTEYELGK-JZXOWHBKSA-N -1 0 331.412 2.651 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000176552792 1111227468 /nfs/dbraw/zinc/22/74/68/1111227468.db2.gz FBWAXJUVVORFMA-UHFFFAOYSA-N -1 0 346.330 2.738 20 30 EFEDRM CC(C)c1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1-c1ccccc1 ZINC000914532291 1111241280 /nfs/dbraw/zinc/24/12/80/1111241280.db2.gz DMMLINHCEOPSJH-UHFFFAOYSA-N -1 0 345.366 2.714 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)[n-]c1C#N ZINC000914532610 1111241647 /nfs/dbraw/zinc/24/16/47/1111241647.db2.gz QRSLDVNXJNUNEH-UHFFFAOYSA-N -1 0 330.351 2.765 20 30 EFEDRM C=C(Cl)COC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000914681681 1111323844 /nfs/dbraw/zinc/32/38/44/1111323844.db2.gz PAWDRVKJGUBXGK-UHFFFAOYSA-N -1 0 349.811 2.812 20 30 EFEDRM O=C([O-])c1cc([N-][NH+]=Cc2cnc(N3CCCC3)nc2)ccc1Cl ZINC000914771952 1111368519 /nfs/dbraw/zinc/36/85/19/1111368519.db2.gz DKTYGKBPFJEGJQ-UHFFFAOYSA-N -1 0 345.790 2.874 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000916762716 1111981174 /nfs/dbraw/zinc/98/11/74/1111981174.db2.gz LXORBSDNHIHHSN-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1CC(F)(F)F ZINC000916871306 1111993327 /nfs/dbraw/zinc/99/33/27/1111993327.db2.gz KTSMGSYCQSDYDT-CYBMUJFWSA-N -1 0 341.333 2.612 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H](C)c2ccccc2)nc1 ZINC000916922372 1111998337 /nfs/dbraw/zinc/99/83/37/1111998337.db2.gz XCBHERPTSBJSNK-WMLDXEAASA-N -1 0 349.390 2.846 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OCCC(C)C ZINC000130571201 1112109857 /nfs/dbraw/zinc/10/98/57/1112109857.db2.gz HQDQFDVHBCUCAL-HNNXBMFYSA-N -1 0 346.427 2.967 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175118038 1112383706 /nfs/dbraw/zinc/38/37/06/1112383706.db2.gz UIVHGXWGDGDBLK-AWEZNQCLSA-N -1 0 328.393 2.704 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175117511 1112383959 /nfs/dbraw/zinc/38/39/59/1112383959.db2.gz ZSUMUTXCCQIZLC-HNNXBMFYSA-N -1 0 342.420 2.747 20 30 EFEDRM COc1ccc2c(c1)nc(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])n2C ZINC000184534544 1119171305 /nfs/dbraw/zinc/17/13/05/1119171305.db2.gz VRMRLIKAOXORNF-GIJQJNRQSA-N -1 0 340.339 2.815 20 30 EFEDRM C#CCC(C)(C)COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000185363903 1120055428 /nfs/dbraw/zinc/05/54/28/1120055428.db2.gz PVGGJWARGWOHJQ-UHFFFAOYSA-N -1 0 344.436 2.911 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1COc2ccccc21 ZINC000073087244 1120535092 /nfs/dbraw/zinc/53/50/92/1120535092.db2.gz RHBGIEXKBRKGKR-CQSZACIVSA-N -1 0 335.356 2.788 20 30 EFEDRM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000073087438 1120535860 /nfs/dbraw/zinc/53/58/60/1120535860.db2.gz BGZYHUDGRRRJAB-OAHLLOKOSA-N -1 0 336.413 2.941 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547112 292829929 /nfs/dbraw/zinc/82/99/29/292829929.db2.gz SHLZVJDWPLIDNN-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000063346622 214754274 /nfs/dbraw/zinc/75/42/74/214754274.db2.gz BLIMJUIBFWHCNG-UHFFFAOYSA-N -1 0 344.392 2.644 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000152949902 529699055 /nfs/dbraw/zinc/69/90/55/529699055.db2.gz VIVCOZMCJJWKJM-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c(F)c1 ZINC000177299791 231852182 /nfs/dbraw/zinc/85/21/82/231852182.db2.gz VTXZQGMWVCDCBR-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000103502872 219308115 /nfs/dbraw/zinc/30/81/15/219308115.db2.gz GLCKXWJKELWWNU-NSHDSACASA-N -1 0 334.372 2.516 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000103502874 219308255 /nfs/dbraw/zinc/30/82/55/219308255.db2.gz GLCKXWJKELWWNU-LLVKDONJSA-N -1 0 334.372 2.516 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000103654963 219318263 /nfs/dbraw/zinc/31/82/63/219318263.db2.gz RUIRDBKNTQQSAF-NSHDSACASA-N -1 0 331.372 2.796 20 30 EFEDRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282138 215374481 /nfs/dbraw/zinc/37/44/81/215374481.db2.gz KVNBDFCMTPDCBH-JQWIXIFHSA-N -1 0 347.820 2.569 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)cc1 ZINC000262772380 240367527 /nfs/dbraw/zinc/36/75/27/240367527.db2.gz HNFGZALXJMXYAY-BEFAXECRSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000262780221 240367853 /nfs/dbraw/zinc/36/78/53/240367853.db2.gz BAEUBTPURAOLFP-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl ZINC000080298472 238845371 /nfs/dbraw/zinc/84/53/71/238845371.db2.gz BULYSEVCMLFHGE-XWIASGKRSA-N -1 0 329.805 2.861 20 30 EFEDRM COCCCOc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000175968480 239296702 /nfs/dbraw/zinc/29/67/02/239296702.db2.gz PTOXPWVGJIHCTK-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cn1 ZINC000176582073 239325697 /nfs/dbraw/zinc/32/56/97/239325697.db2.gz FVOTVYUGHSJYGC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000177542915 239378356 /nfs/dbraw/zinc/37/83/56/239378356.db2.gz DDKHDGFEDSBROJ-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C#N ZINC000181145167 239507322 /nfs/dbraw/zinc/50/73/22/239507322.db2.gz VWBYREKNSCYEEV-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000187766207 239725188 /nfs/dbraw/zinc/72/51/88/239725188.db2.gz FQWVNMVZRKODNF-UHFFFAOYSA-N -1 0 348.428 2.671 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000075104844 216554533 /nfs/dbraw/zinc/55/45/33/216554533.db2.gz RIMHBYWJZCZERS-UHFFFAOYSA-N -1 0 346.412 2.513 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000194597666 240164898 /nfs/dbraw/zinc/16/48/98/240164898.db2.gz AJVHUAHIESYDLF-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237974367 240247917 /nfs/dbraw/zinc/24/79/17/240247917.db2.gz YTJGWLYZUCJDIZ-QGZVFWFLSA-N -1 0 325.364 2.677 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237959540 240249133 /nfs/dbraw/zinc/24/91/33/240249133.db2.gz JGRCXNZIJFEDDY-JTQLQIEISA-N -1 0 343.301 2.817 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262820652 240372163 /nfs/dbraw/zinc/37/21/63/240372163.db2.gz VZHPNBAOJJSPOK-CYBMUJFWSA-N -1 0 335.400 2.737 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCC)C(=O)[O-] ZINC000262889990 240372508 /nfs/dbraw/zinc/37/25/08/240372508.db2.gz LJZOPWQWVOEYEM-GFCCVEGCSA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCC[C@H](NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC000262845197 240372699 /nfs/dbraw/zinc/37/26/99/240372699.db2.gz HIFYPDBAGIZAMK-HNNXBMFYSA-N -1 0 345.374 2.777 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)[O-] ZINC000262875968 240372776 /nfs/dbraw/zinc/37/27/76/240372776.db2.gz KDIDWMJYXDRCQW-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000262820097 240373051 /nfs/dbraw/zinc/37/30/51/240373051.db2.gz DXUMAGRKYDBOPV-GFCCVEGCSA-N -1 0 340.807 2.686 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC000262845199 240373147 /nfs/dbraw/zinc/37/31/47/240373147.db2.gz HIFYPDBAGIZAMK-OAHLLOKOSA-N -1 0 345.374 2.777 20 30 EFEDRM N#CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000262893002 240373269 /nfs/dbraw/zinc/37/32/69/240373269.db2.gz LOTIZYDPUMAVAW-ZWKOTPCHSA-N -1 0 334.375 2.693 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262961964 240373852 /nfs/dbraw/zinc/37/38/52/240373852.db2.gz RVUYMZLRYJNNOH-GWCFXTLKSA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000262916349 240374024 /nfs/dbraw/zinc/37/40/24/240374024.db2.gz NQYJREDJCCAFSC-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000263000177 240374073 /nfs/dbraw/zinc/37/40/73/240374073.db2.gz MEPRMJJYUWCHSD-DZGCQCFKSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000262996660 240374300 /nfs/dbraw/zinc/37/43/00/240374300.db2.gz LYNPBBROJGTVSI-IKGGRYGDSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000262905558 240374957 /nfs/dbraw/zinc/37/49/57/240374957.db2.gz MRSJTRPLRJDQHF-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262961966 240375166 /nfs/dbraw/zinc/37/51/66/240375166.db2.gz RVUYMZLRYJNNOH-GXFFZTMASA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000262902296 240375195 /nfs/dbraw/zinc/37/51/95/240375195.db2.gz DUDDUKMVLFEMFL-OFLPRAFFSA-N -1 0 331.412 2.732 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(Br)cc1C)C(=O)[O-] ZINC000262987595 240375283 /nfs/dbraw/zinc/37/52/83/240375283.db2.gz UXCANIIHTKDATB-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262973660 240375734 /nfs/dbraw/zinc/37/57/34/240375734.db2.gz KCKZBINHTCAOIV-KSZLIROESA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCC[C@@H](NC(=O)CSc1nc2ccccc2s1)C(=O)[O-] ZINC000263029177 240376989 /nfs/dbraw/zinc/37/69/89/240376989.db2.gz YSPBRFOKWSSYKE-LLVKDONJSA-N -1 0 336.438 2.924 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000263044296 240377035 /nfs/dbraw/zinc/37/70/35/240377035.db2.gz PLNVKZSBJRMCPP-KRWDZBQOSA-N -1 0 327.380 2.544 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263039342 240377165 /nfs/dbraw/zinc/37/71/65/240377165.db2.gz ZNYOVDGTDUNPJW-LBPRGKRZSA-N -1 0 331.290 2.620 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000263009184 240377595 /nfs/dbraw/zinc/37/75/95/240377595.db2.gz XADRHNXGYDRLBC-OAHLLOKOSA-N -1 0 339.395 2.899 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)[O-] ZINC000263020635 240378629 /nfs/dbraw/zinc/37/86/29/240378629.db2.gz NUEACWWVMJJKSO-MRXNPFEDSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263163753 240380311 /nfs/dbraw/zinc/38/03/11/240380311.db2.gz YDCISKSXNBSHQN-CJNGLKHVSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263163756 240380730 /nfs/dbraw/zinc/38/07/30/240380730.db2.gz YDCISKSXNBSHQN-CZUORRHYSA-N -1 0 349.427 2.523 20 30 EFEDRM N#CCC[C@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000263203469 240381266 /nfs/dbraw/zinc/38/12/66/240381266.db2.gz HUBNYWSADZNLMA-TXPKVOOTSA-N -1 0 341.411 2.928 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000263147039 240381435 /nfs/dbraw/zinc/38/14/35/240381435.db2.gz XBIMQIABWGWMSP-OAHLLOKOSA-N -1 0 343.379 2.895 20 30 EFEDRM N#CCCC[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263390748 240382842 /nfs/dbraw/zinc/38/28/42/240382842.db2.gz QKKXVIOWTNEYIJ-HOTGVXAUSA-N -1 0 329.400 2.928 20 30 EFEDRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000263510001 240384614 /nfs/dbraw/zinc/38/46/14/240384614.db2.gz XHKXCUUVUXNOEH-INIZCTEOSA-N -1 0 349.390 2.810 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000263528387 240385464 /nfs/dbraw/zinc/38/54/64/240385464.db2.gz LFQMCELBRHSMRP-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000288479874 241013781 /nfs/dbraw/zinc/01/37/81/241013781.db2.gz BZANSCPHVRDVKB-UHFFFAOYSA-N -1 0 325.205 2.685 20 30 EFEDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000288464418 241014081 /nfs/dbraw/zinc/01/40/81/241014081.db2.gz KCNAPRVYYMONNJ-UHFFFAOYSA-N -1 0 336.442 2.535 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(C)CCCC(=O)[O-])cc1OC ZINC000299274372 241169286 /nfs/dbraw/zinc/16/92/86/241169286.db2.gz QACUOVBWTBKSFO-CSKARUKUSA-N -1 0 333.384 2.596 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000328738103 241231442 /nfs/dbraw/zinc/23/14/42/241231442.db2.gz HGOKTXRYDVHLPE-AWEZNQCLSA-N -1 0 334.383 2.679 20 30 EFEDRM [O-]/C(=N/Cc1cn2ccsc2n1)c1coc(C2CCOCC2)n1 ZINC000328755491 241234304 /nfs/dbraw/zinc/23/43/04/241234304.db2.gz SYIRCFFQQVLELU-UHFFFAOYSA-N -1 0 332.385 2.783 20 30 EFEDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328815278 241245779 /nfs/dbraw/zinc/24/57/79/241245779.db2.gz GOYSHAWMJQKZPE-OLZOCXBDSA-N -1 0 330.413 2.520 20 30 EFEDRM C[C@@H]1CCc2nc(NC(=O)c3cccn4c([O-])nnc34)sc2C1 ZINC000329360899 241355673 /nfs/dbraw/zinc/35/56/73/241355673.db2.gz YEMWJWLNNGLHGH-MRVPVSSYSA-N -1 0 329.385 2.653 20 30 EFEDRM C[C@@H]1CCC[C@H](NC(=O)CN2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)[C@H]1C ZINC000329587624 241399113 /nfs/dbraw/zinc/39/91/13/241399113.db2.gz MTVXKPNVBCZTBT-ZOBORPQBSA-N -1 0 335.452 2.819 20 30 EFEDRM CCOC(=O)c1[n-]c(=NC(=O)N2[C@@H](C)CC[C@@H]2C)sc1C(C)=O ZINC000331303661 241623728 /nfs/dbraw/zinc/62/37/28/241623728.db2.gz FPZHLEBYKISXCI-IUCAKERBSA-N -1 0 339.417 2.941 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000351218356 241901288 /nfs/dbraw/zinc/90/12/88/241901288.db2.gz SBQCEHGGYGEYTA-VIFPVBQESA-N -1 0 335.820 2.904 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354468815 242000281 /nfs/dbraw/zinc/00/02/81/242000281.db2.gz PUYWKJRDQOOIFG-AWEZNQCLSA-N -1 0 335.342 2.854 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1ccncn1 ZINC000354461987 242000757 /nfs/dbraw/zinc/00/07/57/242000757.db2.gz GVTYSNHWBBRISI-OAHLLOKOSA-N -1 0 329.363 2.641 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000355829166 242048005 /nfs/dbraw/zinc/04/80/05/242048005.db2.gz GZACPSPPCJXABZ-UHFFFAOYSA-N -1 0 342.376 2.519 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355878983 242050121 /nfs/dbraw/zinc/05/01/21/242050121.db2.gz FPYNCAWADNCEAK-UHFFFAOYSA-N -1 0 343.408 2.820 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000356029415 242057705 /nfs/dbraw/zinc/05/77/05/242057705.db2.gz PBRYQWBSXORRCC-OAHLLOKOSA-N -1 0 336.367 2.707 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000356007276 242058095 /nfs/dbraw/zinc/05/80/95/242058095.db2.gz VLWPKSUEHUXUMM-UHFFFAOYSA-N -1 0 336.351 2.994 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000356786268 242078929 /nfs/dbraw/zinc/07/89/29/242078929.db2.gz RCHLKYLJTDSQCP-UHFFFAOYSA-N -1 0 347.392 2.531 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(C)nc2C(C)C)n1 ZINC000354688718 242009745 /nfs/dbraw/zinc/00/97/45/242009745.db2.gz WCGVPJDJLZKMNO-JTQLQIEISA-N -1 0 346.412 2.667 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)n1 ZINC000354682645 242010167 /nfs/dbraw/zinc/01/01/67/242010167.db2.gz NYYGVTBADIYUAP-NSHDSACASA-N -1 0 346.412 2.761 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1ccc(C)cc1 ZINC000358117481 242114950 /nfs/dbraw/zinc/11/49/50/242114950.db2.gz FYRLDGWJDIEEGR-INIZCTEOSA-N -1 0 346.394 2.781 20 30 EFEDRM C=CCSCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000361112134 242217628 /nfs/dbraw/zinc/21/76/28/242217628.db2.gz STEUPNJXBMXDQR-UHFFFAOYSA-N -1 0 344.230 2.796 20 30 EFEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)n[nH]2)cc1 ZINC000361670196 242230139 /nfs/dbraw/zinc/23/01/39/242230139.db2.gz HNNBIWUHRPUVHI-HNNXBMFYSA-N -1 0 347.378 2.982 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000362133149 242246030 /nfs/dbraw/zinc/24/60/30/242246030.db2.gz GWTRXIANWIGSMO-UHFFFAOYSA-N -1 0 325.368 2.602 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2[n-]nc(CC(F)(F)F)s2)cc1 ZINC000362187219 242247812 /nfs/dbraw/zinc/24/78/12/242247812.db2.gz BFWDWKYLNOCAQX-UHFFFAOYSA-N -1 0 343.330 2.882 20 30 EFEDRM C#CCOc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000367611033 242385887 /nfs/dbraw/zinc/38/58/87/242385887.db2.gz ZHKCSHHJFGXZCO-SFHVURJKSA-N -1 0 335.359 2.523 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@H](C)c2ccc3c(c2)CCC3)s1 ZINC000414207428 244048511 /nfs/dbraw/zinc/04/85/11/244048511.db2.gz GWDWWFSMWLDKGO-LLVKDONJSA-N -1 0 349.481 2.582 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000414335465 244093325 /nfs/dbraw/zinc/09/33/25/244093325.db2.gz ODFIUHAVKLFRSF-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCCCC(=O)[O-] ZINC000414627342 244261416 /nfs/dbraw/zinc/26/14/16/244261416.db2.gz NFISPGCZIFWKHD-UHFFFAOYSA-N -1 0 329.400 2.901 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000421803627 246121788 /nfs/dbraw/zinc/12/17/88/246121788.db2.gz ILZJTDPYZHRVER-MNOVXSKESA-N -1 0 334.372 2.552 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000421808585 246124695 /nfs/dbraw/zinc/12/46/95/246124695.db2.gz SCRVVFDZKATHBA-GRYCIOLGSA-N -1 0 336.413 2.755 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1F ZINC000421817657 246127388 /nfs/dbraw/zinc/12/73/88/246127388.db2.gz WFUXWMFLDBKMLT-UHFFFAOYSA-N -1 0 325.343 2.958 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000425248029 247014627 /nfs/dbraw/zinc/01/46/27/247014627.db2.gz QBSDIKJAHMTXIB-UHFFFAOYSA-N -1 0 344.371 2.592 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1F ZINC000427277723 247333053 /nfs/dbraw/zinc/33/30/53/247333053.db2.gz SPRQCIWDZNTPTC-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cccc1-c1ncco1 ZINC000427302814 247336293 /nfs/dbraw/zinc/33/62/93/247336293.db2.gz UQHBIUYTMBIVHA-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cnn1CC(C)C ZINC000427352492 247340471 /nfs/dbraw/zinc/34/04/71/247340471.db2.gz PIDPKXAYWMCVJB-UHFFFAOYSA-N -1 0 336.392 2.659 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1F ZINC000427109392 247317563 /nfs/dbraw/zinc/31/75/63/247317563.db2.gz HLBRZHMNTIZNAS-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1[N+](=O)[O-] ZINC000427109276 247318140 /nfs/dbraw/zinc/31/81/40/247318140.db2.gz QNVGIWADXMZZIT-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000427686764 247382790 /nfs/dbraw/zinc/38/27/90/247382790.db2.gz SHPWDVZUTLOXKN-UHFFFAOYSA-N -1 0 342.351 2.743 20 30 EFEDRM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435485926 248245535 /nfs/dbraw/zinc/24/55/35/248245535.db2.gz YTVLZPYSCXKSAG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435486195 248245575 /nfs/dbraw/zinc/24/55/75/248245575.db2.gz FJQBDGHDJVUQTP-UHFFFAOYSA-N -1 0 335.410 2.769 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435480915 248245644 /nfs/dbraw/zinc/24/56/44/248245644.db2.gz QHUASFZDJSTHCT-UHFFFAOYSA-N -1 0 330.337 2.707 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435495729 248245890 /nfs/dbraw/zinc/24/58/90/248245890.db2.gz OJXPKWFOSSJVIU-UHFFFAOYSA-N -1 0 338.410 2.828 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436636871 249559199 /nfs/dbraw/zinc/55/91/99/249559199.db2.gz SPGXMXYCVUGHGZ-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436958267 249639174 /nfs/dbraw/zinc/63/91/74/249639174.db2.gz FXBIUPPJILLMFR-GFCCVEGCSA-N -1 0 331.715 2.948 20 30 EFEDRM CCCSc1nc(=NC(=O)NCCc2cccc(C#N)c2)s[n-]1 ZINC000439432762 249822423 /nfs/dbraw/zinc/82/24/23/249822423.db2.gz VPYSNCVWBGTMND-UHFFFAOYSA-N -1 0 347.469 2.698 20 30 EFEDRM Cc1nc(=NC(=O)c2occc2COc2cccc(C#N)c2)s[n-]1 ZINC000440291578 249914395 /nfs/dbraw/zinc/91/43/95/249914395.db2.gz AUGKCCXZRYFSPN-UHFFFAOYSA-N -1 0 340.364 2.564 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc([N+](=O)[O-])c1OC ZINC000442607511 250089965 /nfs/dbraw/zinc/08/99/65/250089965.db2.gz SBQYMMJVNXRBRZ-JTQLQIEISA-N -1 0 347.352 2.867 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000442619642 250091581 /nfs/dbraw/zinc/09/15/81/250091581.db2.gz KTNMKBSLZXYPHN-BXKDBHETSA-N -1 0 347.234 2.793 20 30 EFEDRM CC(C)(O)COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442652967 250095786 /nfs/dbraw/zinc/09/57/86/250095786.db2.gz UPUJSWJVWINBGA-UHFFFAOYSA-N -1 0 326.352 2.666 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443447407 250196329 /nfs/dbraw/zinc/19/63/29/250196329.db2.gz WIKBSYNTYJWVNM-ZDUSSCGKSA-N -1 0 345.346 2.994 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)ccc1C#N ZINC000446767002 250528460 /nfs/dbraw/zinc/52/84/60/250528460.db2.gz UEFZKJULFXOXOJ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000095424104 218367040 /nfs/dbraw/zinc/36/70/40/218367040.db2.gz ZFFQIEVXISAFPD-OAHLLOKOSA-N -1 0 331.412 2.613 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1S(C)(=O)=O ZINC000095451833 218396904 /nfs/dbraw/zinc/39/69/04/218396904.db2.gz RVTFEYWKCHTFBG-CYBMUJFWSA-N -1 0 348.449 2.908 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451102662 251447031 /nfs/dbraw/zinc/44/70/31/251447031.db2.gz KMUFONCEASDMOE-UHFFFAOYSA-N -1 0 337.426 2.948 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC)n2)n1 ZINC000453628842 252056660 /nfs/dbraw/zinc/05/66/60/252056660.db2.gz OCDZCWPAYRCJQZ-NSHDSACASA-N -1 0 329.381 2.767 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCOC3)c2)c1 ZINC000238200307 304255403 /nfs/dbraw/zinc/25/54/03/304255403.db2.gz NWJUHKRSOCXEOV-KRWDZBQOSA-N -1 0 335.359 2.760 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC000455898193 255625236 /nfs/dbraw/zinc/62/52/36/255625236.db2.gz IALWZWDIXRGTQC-MRXNPFEDSA-N -1 0 347.411 2.784 20 30 EFEDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000183031384 141378570 /nfs/dbraw/zinc/37/85/70/141378570.db2.gz DNTYXZXYXQIGJL-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM CCCN(CC(=O)[O-])c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000263393959 141390098 /nfs/dbraw/zinc/39/00/98/141390098.db2.gz HCZAONDVMJLRDP-UHFFFAOYSA-N -1 0 326.400 2.785 20 30 EFEDRM N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263458015 141395893 /nfs/dbraw/zinc/39/58/93/141395893.db2.gz HYQQMVRZRRVXFS-UHFFFAOYSA-N -1 0 335.407 2.969 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1c(C#N)nnc2ccccc21 ZINC000341580223 141834136 /nfs/dbraw/zinc/83/41/36/141834136.db2.gz FNVJBIRRCGSRQH-UHFFFAOYSA-N -1 0 348.391 2.848 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c(F)c1 ZINC000347876691 142286159 /nfs/dbraw/zinc/28/61/59/142286159.db2.gz GFNXILBRZXDEOG-UHFFFAOYSA-N -1 0 326.306 2.844 20 30 EFEDRM CC(C)CSCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000339451243 144772865 /nfs/dbraw/zinc/77/28/65/144772865.db2.gz BWZOMKOVIMFBNZ-UHFFFAOYSA-N -1 0 334.413 2.504 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340832769 144938724 /nfs/dbraw/zinc/93/87/24/144938724.db2.gz ULRBUPIXTFGERE-UHFFFAOYSA-N -1 0 331.353 2.611 20 30 EFEDRM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340981670 144966690 /nfs/dbraw/zinc/96/66/90/144966690.db2.gz ZYRVRPLHMKLTIL-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM Cc1nc(C)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000341288904 145026864 /nfs/dbraw/zinc/02/68/64/145026864.db2.gz PDEKBFIZDPAOGQ-UHFFFAOYSA-N -1 0 329.353 2.711 20 30 EFEDRM Cc1ccc(C#N)c(Sc2n[n-]c(=NCc3ccco3)s2)n1 ZINC000341421905 145049450 /nfs/dbraw/zinc/04/94/50/145049450.db2.gz WLTBFVVDXOASFL-UHFFFAOYSA-N -1 0 329.410 2.891 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000343628051 145257123 /nfs/dbraw/zinc/25/71/23/145257123.db2.gz IHNDJSKLFPEKEO-UHFFFAOYSA-N -1 0 349.306 2.610 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000345674073 145592744 /nfs/dbraw/zinc/59/27/44/145592744.db2.gz HXPQOIAHOZWEID-UHFFFAOYSA-N -1 0 336.442 2.864 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000350740675 146086236 /nfs/dbraw/zinc/08/62/36/146086236.db2.gz GFIYJIWANRMHLW-UHFFFAOYSA-N -1 0 326.328 2.637 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)c2ccsc2)n1 ZINC000350804710 146092125 /nfs/dbraw/zinc/09/21/25/146092125.db2.gz ZTFQNKMOQUIGFC-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000350971072 146103220 /nfs/dbraw/zinc/10/32/20/146103220.db2.gz KLASDMJEFHSYPV-UHFFFAOYSA-N -1 0 346.799 2.926 20 30 EFEDRM COCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000351216279 146116505 /nfs/dbraw/zinc/11/65/05/146116505.db2.gz AQLTUDKPKXDDRZ-UHFFFAOYSA-N -1 0 343.817 2.615 20 30 EFEDRM COc1ccc(C(=O)CSc2ccc(C#N)cn2)c2occ([O-])c21 ZINC000351559457 146145650 /nfs/dbraw/zinc/14/56/50/146145650.db2.gz OHCZKHGTBPJJCK-UHFFFAOYSA-N -1 0 340.360 2.512 20 30 EFEDRM COc1ccc(C(=O)CSc2cc(C#N)ccn2)c2occ([O-])c21 ZINC000351689931 146178565 /nfs/dbraw/zinc/17/85/65/146178565.db2.gz HFJSEUMWAACLRH-UHFFFAOYSA-N -1 0 340.360 2.512 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)CCc2cccs2)n1 ZINC000356270083 147194992 /nfs/dbraw/zinc/19/49/92/147194992.db2.gz UMPCMDMJIDXEMZ-UHFFFAOYSA-N -1 0 338.458 2.556 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000357134783 147435845 /nfs/dbraw/zinc/43/58/45/147435845.db2.gz QSTBMHKIOHZRLA-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000359716915 148170002 /nfs/dbraw/zinc/17/00/02/148170002.db2.gz NDWRCRHQVPCZCY-PWSUYJOCSA-N -1 0 328.322 2.601 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000359716913 148170084 /nfs/dbraw/zinc/17/00/84/148170084.db2.gz NDWRCRHQVPCZCY-CMPLNLGQSA-N -1 0 328.322 2.601 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccccc1Br ZINC000359720604 148171152 /nfs/dbraw/zinc/17/11/52/148171152.db2.gz WANOLPKRSNNJIR-UHFFFAOYSA-N -1 0 331.173 2.595 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000359728697 148173618 /nfs/dbraw/zinc/17/36/18/148173618.db2.gz ZHUMFLQDUSRGSY-UHFFFAOYSA-N -1 0 338.264 2.991 20 30 EFEDRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416936708 286115445 /nfs/dbraw/zinc/11/54/45/286115445.db2.gz IHXIALKMIKXASB-NSHDSACASA-N -1 0 346.836 2.799 20 30 EFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccccc3)n2)c(F)c1 ZINC000376870910 151784427 /nfs/dbraw/zinc/78/44/27/151784427.db2.gz PUGDDFNTJJPVBQ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC(C)(C)C1 ZINC000408486918 152199039 /nfs/dbraw/zinc/19/90/39/152199039.db2.gz KOLFSWBTLWOTDT-CHWSQXEVSA-N -1 0 349.456 2.611 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000170608314 226652270 /nfs/dbraw/zinc/65/22/70/226652270.db2.gz DVCBGJUNUYXABI-UHFFFAOYSA-N -1 0 330.822 2.599 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1C#N ZINC000332422787 269815528 /nfs/dbraw/zinc/81/55/28/269815528.db2.gz GMMURBKRPMCJEN-CHWSQXEVSA-N -1 0 349.456 2.703 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000290687572 270024686 /nfs/dbraw/zinc/02/46/86/270024686.db2.gz QQNKWNVGZZKJCD-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)c(C)c1C(=O)[O-] ZINC000178956745 264913340 /nfs/dbraw/zinc/91/33/40/264913340.db2.gz RBURQLXBRSAUFK-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(Cl)c1 ZINC000446948367 270028658 /nfs/dbraw/zinc/02/86/58/270028658.db2.gz ONKIUKQXPOIMQA-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(CSc2n[n-]c(=NC[C@H]3CCCO3)s2)s1 ZINC000519782838 270034050 /nfs/dbraw/zinc/03/40/50/270034050.db2.gz USIIZHYXJTVLRR-SECBINFHSA-N -1 0 338.483 2.776 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)[n-]1 ZINC000532087630 270035620 /nfs/dbraw/zinc/03/56/20/270035620.db2.gz GNGTVKVBRKEVSE-ZDUSSCGKSA-N -1 0 338.411 2.652 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1O ZINC000188427674 265133729 /nfs/dbraw/zinc/13/37/29/265133729.db2.gz WNXSOSRYUFYILQ-QGZVFWFLSA-N -1 0 344.317 2.756 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1O ZINC000188427252 265133887 /nfs/dbraw/zinc/13/38/87/265133887.db2.gz GWEGXLAWSBTDKY-QGZVFWFLSA-N -1 0 326.327 2.617 20 30 EFEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000288659360 266005115 /nfs/dbraw/zinc/00/51/15/266005115.db2.gz VCJBSKDLTUSCMT-UHFFFAOYSA-N -1 0 326.403 2.707 20 30 EFEDRM N#Cc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1C(F)(F)F ZINC000271712421 266046651 /nfs/dbraw/zinc/04/66/51/266046651.db2.gz VNWMJAJXTRWYGD-UHFFFAOYSA-N -1 0 341.289 2.506 20 30 EFEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000281766685 266077355 /nfs/dbraw/zinc/07/73/55/266077355.db2.gz LVQNYARJBSZNAH-CQSZACIVSA-N -1 0 338.429 2.508 20 30 EFEDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2O1 ZINC000288129855 266433463 /nfs/dbraw/zinc/43/34/63/266433463.db2.gz DSCAAOWXYZSWEE-OAHLLOKOSA-N -1 0 334.353 2.849 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000273354711 266487217 /nfs/dbraw/zinc/48/72/17/266487217.db2.gz RDDDFYCFQUQVMU-UHFFFAOYSA-N -1 0 346.383 2.557 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ccc(C(F)(F)F)c(C#N)n2)s1 ZINC000443401234 266823351 /nfs/dbraw/zinc/82/33/51/266823351.db2.gz BWSSRUVIHXAGMD-UHFFFAOYSA-N -1 0 343.359 2.995 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)c2c(O)cccc2O)cc1C#N ZINC000494471015 267129208 /nfs/dbraw/zinc/12/92/08/267129208.db2.gz OQFVWMHWBYQMBR-UHFFFAOYSA-N -1 0 341.323 2.790 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000451075037 267176983 /nfs/dbraw/zinc/17/69/83/267176983.db2.gz ZHFSDFAEAJYDEZ-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000276997829 267195413 /nfs/dbraw/zinc/19/54/13/267195413.db2.gz JGRMFFCAYZIBTE-VIFPVBQESA-N -1 0 328.290 2.620 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187746810 267312076 /nfs/dbraw/zinc/31/20/76/267312076.db2.gz OXBFXARCAUVIDE-LBPRGKRZSA-N -1 0 330.413 2.835 20 30 EFEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000278444697 267442986 /nfs/dbraw/zinc/44/29/86/267442986.db2.gz WTEWPLNFLFMMKL-GXFFZTMASA-N -1 0 334.363 2.955 20 30 EFEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000278444695 267443140 /nfs/dbraw/zinc/44/31/40/267443140.db2.gz WTEWPLNFLFMMKL-GWCFXTLKSA-N -1 0 334.363 2.955 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)s1 ZINC000269989075 267651206 /nfs/dbraw/zinc/65/12/06/267651206.db2.gz UEGWXXTVYCQBPD-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccsc2)ncc1Br ZINC000351401988 268014500 /nfs/dbraw/zinc/01/45/00/268014500.db2.gz WAMMTLZCKNYSMV-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2cccc(C#N)c2)sc1C ZINC000492384174 268016426 /nfs/dbraw/zinc/01/64/26/268016426.db2.gz NOMXCUBXBCGQDO-SREVYHEPSA-N -1 0 346.433 2.755 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)ccc1C#N ZINC000446974069 268017573 /nfs/dbraw/zinc/01/75/73/268017573.db2.gz XDFBBKPIVCUFNF-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(Cc3ccccc3)ns2)cc1[O-] ZINC000188462385 268048199 /nfs/dbraw/zinc/04/81/99/268048199.db2.gz JLVAYOWRMYJRJK-UHFFFAOYSA-N -1 0 336.376 2.958 20 30 EFEDRM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1 ZINC000442647489 268074710 /nfs/dbraw/zinc/07/47/10/268074710.db2.gz INSSZASSWMHCGK-UHFFFAOYSA-N -1 0 347.378 2.773 20 30 EFEDRM Cc1nn2c(CN=c3[nH][n-]c(C4CC4)c3C#N)c(C(C)C)nc2s1 ZINC000516263718 268093810 /nfs/dbraw/zinc/09/38/10/268093810.db2.gz BWTAKXVYZDYHOJ-UHFFFAOYSA-N -1 0 341.444 2.729 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc12 ZINC000438779579 268100072 /nfs/dbraw/zinc/10/00/72/268100072.db2.gz UXEXJASKMHPVGN-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1[O-] ZINC000442656427 268205411 /nfs/dbraw/zinc/20/54/11/268205411.db2.gz WOQNFQGLIMXSDR-UHFFFAOYSA-N -1 0 339.326 2.782 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000291875733 269615375 /nfs/dbraw/zinc/61/53/75/269615375.db2.gz MCNTVMCUVMZQPM-UHFFFAOYSA-N -1 0 340.405 2.548 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000530973598 269648719 /nfs/dbraw/zinc/64/87/19/269648719.db2.gz OEQUHGXURWBDFJ-UHFFFAOYSA-N -1 0 340.405 2.692 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccccc2Cl)n[nH]c1C1CC1 ZINC000278292406 273161436 /nfs/dbraw/zinc/16/14/36/273161436.db2.gz CSIARDYUFBTNEG-UHFFFAOYSA-N -1 0 336.804 2.754 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n[nH]c1C1CC1 ZINC000288624720 274631705 /nfs/dbraw/zinc/63/17/05/274631705.db2.gz QWZKUWXBFCXNIA-UHFFFAOYSA-N -1 0 338.339 2.897 20 30 EFEDRM CC1(C#N)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000279704638 280849491 /nfs/dbraw/zinc/84/94/91/280849491.db2.gz JUPMREJGUPAMGE-UHFFFAOYSA-N -1 0 344.802 2.997 20 30 EFEDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408484148 281020721 /nfs/dbraw/zinc/02/07/21/281020721.db2.gz ZCDHSCRBYPOCLH-GFCCVEGCSA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c(F)c1 ZINC000119907182 292916834 /nfs/dbraw/zinc/91/68/34/292916834.db2.gz WTRWNKWZSAGJLE-UHFFFAOYSA-N -1 0 334.229 2.959 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000123338459 292978874 /nfs/dbraw/zinc/97/88/74/292978874.db2.gz JDWGBUYSZIAGEI-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000126026698 293025241 /nfs/dbraw/zinc/02/52/41/293025241.db2.gz WCPWUSLVBZQYSL-QMMMGPOBSA-N -1 0 343.380 2.641 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128022252 293089344 /nfs/dbraw/zinc/08/93/44/293089344.db2.gz MYRZEMMZIAMQIL-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(F)c1 ZINC000128563557 293108085 /nfs/dbraw/zinc/10/80/85/293108085.db2.gz NUUSVDLAHUMLCR-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(F)cc1C#N ZINC000131640369 293203120 /nfs/dbraw/zinc/20/31/20/293203120.db2.gz LWACXFYIGUHMGI-UHFFFAOYSA-N -1 0 328.372 2.627 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(F)c1 ZINC000132454241 293227765 /nfs/dbraw/zinc/22/77/65/293227765.db2.gz HNKPUEDICVINED-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1cc(N2CCC[C@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000262602001 301337037 /nfs/dbraw/zinc/33/70/37/301337037.db2.gz ZAHWSNXVEXJAOB-ZDUSSCGKSA-N -1 0 334.379 2.969 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1ccccc1 ZINC000340987221 303052132 /nfs/dbraw/zinc/05/21/32/303052132.db2.gz VTTWGMHLOIMAGH-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#C[C@@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CCC[C@]12CCCCO2 ZINC000366181047 303164320 /nfs/dbraw/zinc/16/43/20/303164320.db2.gz HXUZAPYFSMYBRS-WMLDXEAASA-N -1 0 336.338 2.738 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000183395529 303183300 /nfs/dbraw/zinc/18/33/00/303183300.db2.gz FTJXNKNROBMSHW-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[C@H](C(=O)[O-])C1 ZINC000263434041 303213639 /nfs/dbraw/zinc/21/36/39/303213639.db2.gz UPIBIRDJBNJZDI-QMMMGPOBSA-N -1 0 335.285 2.825 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C ZINC000137453198 310668958 /nfs/dbraw/zinc/66/89/58/310668958.db2.gz DWOCLYYLPPTKHO-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1CCC(C)C ZINC000137784324 310670142 /nfs/dbraw/zinc/67/01/42/310670142.db2.gz RYONHOMPMZDLCZ-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000164013177 310729134 /nfs/dbraw/zinc/72/91/34/310729134.db2.gz VIZAFNXCWLLVTO-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000320216491 311237394 /nfs/dbraw/zinc/23/73/94/311237394.db2.gz UPMILXDKBBVCSI-UHFFFAOYSA-N -1 0 330.365 2.507 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c(F)c1 ZINC000542788096 317827055 /nfs/dbraw/zinc/82/70/55/317827055.db2.gz NBFBOFUNAINJCQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cncc(C#N)c2)c1C1CC1 ZINC000564011158 318836123 /nfs/dbraw/zinc/83/61/23/318836123.db2.gz BKYWVDZUDDCMSY-NSHDSACASA-N -1 0 345.428 2.799 20 30 EFEDRM N#Cc1nc(NC(=O)c2csc(C3CCCCC3)n2)[n-]c1C#N ZINC000565408532 318967293 /nfs/dbraw/zinc/96/72/93/318967293.db2.gz JVBYUPHFPFNLQX-UHFFFAOYSA-N -1 0 326.385 2.910 20 30 EFEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000565809370 319003675 /nfs/dbraw/zinc/00/36/75/319003675.db2.gz FNSKLRUBTUUYBM-SNVBAGLBSA-N -1 0 336.392 2.974 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OCC3)s1 ZINC000566311328 319061915 /nfs/dbraw/zinc/06/19/15/319061915.db2.gz ARRHZOSOHYJZBK-UHFFFAOYSA-N -1 0 334.422 2.918 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000567019028 319130601 /nfs/dbraw/zinc/13/06/01/319130601.db2.gz WNESYPNRSJHAMX-UHFFFAOYSA-N -1 0 337.426 2.948 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CSCc1ccc(C#N)cc1 ZINC000568414414 319282702 /nfs/dbraw/zinc/28/27/02/319282702.db2.gz KMWKQYBPGLJVCC-HNNXBMFYSA-N -1 0 334.441 2.749 20 30 EFEDRM N#Cc1cccc(CCNC(=O)c2cccc(Br)c2[O-])c1 ZINC000569948679 319430973 /nfs/dbraw/zinc/43/09/73/319430973.db2.gz XRDIGPAONJRZHK-UHFFFAOYSA-N -1 0 345.196 2.999 20 30 EFEDRM CC(=Cc1cnc(-c2ccccc2)nc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000576299519 320003249 /nfs/dbraw/zinc/00/32/49/320003249.db2.gz GXDAKVBLZVJWOY-XYOKQWHBSA-N -1 0 329.363 2.968 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000576299542 320003360 /nfs/dbraw/zinc/00/33/60/320003360.db2.gz ITSLRMUJZISVSF-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM N#Cc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)nc1 ZINC000577231955 320091598 /nfs/dbraw/zinc/09/15/98/320091598.db2.gz SZLKAKNJNURQKJ-UHFFFAOYSA-N -1 0 328.397 2.623 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000578622775 320223055 /nfs/dbraw/zinc/22/30/55/320223055.db2.gz LLTJSJOUAFJEAQ-CQSZACIVSA-N -1 0 339.424 2.908 20 30 EFEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000181751349 323248646 /nfs/dbraw/zinc/24/86/46/323248646.db2.gz ZVEVYKWPNFSHNM-UHFFFAOYSA-N -1 0 341.364 2.754 20 30 EFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000181795834 323250724 /nfs/dbraw/zinc/25/07/24/323250724.db2.gz QXHSBLTWZQTGLF-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1C(C)C ZINC000579077765 323876346 /nfs/dbraw/zinc/87/63/46/323876346.db2.gz YZNCRNTWHTZBRH-UHFFFAOYSA-N -1 0 335.415 2.914 20 30 EFEDRM Cc1ccc2nc(C)c(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)cc2c1 ZINC000579102033 323884545 /nfs/dbraw/zinc/88/45/45/323884545.db2.gz KZLCHMLWASGGCE-UHFFFAOYSA-N -1 0 331.379 2.998 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)s1 ZINC000581581548 324409130 /nfs/dbraw/zinc/40/91/30/324409130.db2.gz UKWNMKLBPSHGFH-UHFFFAOYSA-N -1 0 338.458 2.835 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000610725045 450311724 /nfs/dbraw/zinc/31/17/24/450311724.db2.gz ALCPFDAQGWHEPB-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000066249579 462867221 /nfs/dbraw/zinc/86/72/21/462867221.db2.gz LETQXNYMXSGKBS-SNVBAGLBSA-N -1 0 333.438 2.940 20 30 EFEDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000066249578 462867739 /nfs/dbraw/zinc/86/77/39/462867739.db2.gz TUBKXOOIHMMJSM-JTQLQIEISA-N -1 0 333.438 2.940 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cncc(F)c2)s1 ZINC000095443017 473205877 /nfs/dbraw/zinc/20/58/77/473205877.db2.gz QAOMQPYIUXWXDP-ONEGZZNKSA-N -1 0 326.374 2.949 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000102749040 472591511 /nfs/dbraw/zinc/59/15/11/472591511.db2.gz BTYBETFHOMDTQU-UHFFFAOYSA-N -1 0 343.311 2.565 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCC1=O ZINC000095461486 473209166 /nfs/dbraw/zinc/20/91/66/473209166.db2.gz HDDXQEPLUUSFPR-ZJUUUORDSA-N -1 0 329.805 2.991 20 30 EFEDRM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124213109 473220959 /nfs/dbraw/zinc/22/09/59/473220959.db2.gz NCEWBYHGXMQXQA-VIFPVBQESA-N -1 0 342.392 2.807 20 30 EFEDRM COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)cc(OC)c1O ZINC000161415456 473233306 /nfs/dbraw/zinc/23/33/06/473233306.db2.gz RVXVKHVYSWTAHG-UHFFFAOYSA-N -1 0 326.352 2.553 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(Cl)c1 ZINC000096001703 473251502 /nfs/dbraw/zinc/25/15/02/473251502.db2.gz QAGNGTLKNXYJFV-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000184931581 473277406 /nfs/dbraw/zinc/27/74/06/473277406.db2.gz QDXBTSJTWUTEMH-UHFFFAOYSA-N -1 0 335.381 2.663 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(NC(=O)NC2CC2)c1 ZINC000082068126 473285332 /nfs/dbraw/zinc/28/53/32/473285332.db2.gz WYVUVQLXPRLOKG-CQSZACIVSA-N -1 0 328.372 2.671 20 30 EFEDRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000171110733 473288553 /nfs/dbraw/zinc/28/85/53/473288553.db2.gz XRACFVYNTRKELJ-LBPRGKRZSA-N -1 0 337.383 2.991 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000177024691 473288964 /nfs/dbraw/zinc/28/89/64/473288964.db2.gz XAIKRKSANNLTFS-NEPJUHHUSA-N -1 0 343.452 2.742 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cn1 ZINC000171154661 473303905 /nfs/dbraw/zinc/30/39/05/473303905.db2.gz CIQYZIBIOHFTNY-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccc(Oc3ccncc3)c2)[n-]c1C#N ZINC000112724520 473304119 /nfs/dbraw/zinc/30/41/19/473304119.db2.gz NYKYMGALKXIDMW-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(F)c2)cc1 ZINC000185138641 473341074 /nfs/dbraw/zinc/34/10/74/473341074.db2.gz ZEYNGTCIGGUIRV-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000083577153 473352506 /nfs/dbraw/zinc/35/25/06/473352506.db2.gz QDVHURCQUHFMBX-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1Cl ZINC000083955555 473377127 /nfs/dbraw/zinc/37/71/27/473377127.db2.gz PRZHIZYCVIQFIF-UHFFFAOYSA-N -1 0 340.817 2.741 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000083956272 473378606 /nfs/dbraw/zinc/37/86/06/473378606.db2.gz LAJLCFUDTZODRD-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)n1 ZINC000185271588 473382317 /nfs/dbraw/zinc/38/23/17/473382317.db2.gz WNXKGJANGAHUJP-UHFFFAOYSA-N -1 0 347.375 2.757 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Cl ZINC000619780059 479882434 /nfs/dbraw/zinc/88/24/34/479882434.db2.gz BCXLZGWOTZPUTP-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000619781141 479883951 /nfs/dbraw/zinc/88/39/51/479883951.db2.gz WILSEBHDBGGYIS-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM N#CC1(CNC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000519582352 478235544 /nfs/dbraw/zinc/23/55/44/478235544.db2.gz VACQVDGHBRCVAQ-UHFFFAOYSA-N -1 0 329.581 2.842 20 30 EFEDRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613205024 479913824 /nfs/dbraw/zinc/91/38/24/479913824.db2.gz KVNZKLKSNGGTBK-RDJZCZTQSA-N -1 0 337.427 2.795 20 30 EFEDRM C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000011241194 471748906 /nfs/dbraw/zinc/74/89/06/471748906.db2.gz FAMQBSXFESACMK-UHFFFAOYSA-N -1 0 341.392 2.616 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OC ZINC000018895768 471975914 /nfs/dbraw/zinc/97/59/14/471975914.db2.gz UELSNTKYOJNOIQ-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2SCC(N)=O)n1 ZINC000041516550 472066935 /nfs/dbraw/zinc/06/69/35/472066935.db2.gz VJQGOPAVNTWHSP-NSHDSACASA-N -1 0 331.422 2.519 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000041539880 472068977 /nfs/dbraw/zinc/06/89/77/472068977.db2.gz IRHFESLIDVAGQI-SECBINFHSA-N -1 0 326.337 2.733 20 30 EFEDRM CNc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000041574616 472070640 /nfs/dbraw/zinc/07/06/40/472070640.db2.gz GVPXYYQFQMPLAN-LBPRGKRZSA-N -1 0 325.328 2.533 20 30 EFEDRM Cc1ccc(-c2cnc(CCC(=O)Nc3nc(C#N)c(C#N)[n-]3)o2)cc1 ZINC000026268651 472130142 /nfs/dbraw/zinc/13/01/42/472130142.db2.gz AOWYNZUQIHSONN-UHFFFAOYSA-N -1 0 346.350 2.688 20 30 EFEDRM Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026271301 472131023 /nfs/dbraw/zinc/13/10/23/472131023.db2.gz DJKGQXQKMBYBAT-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(CC)s2)n1 ZINC000068413022 472185949 /nfs/dbraw/zinc/18/59/49/472185949.db2.gz GOPXQIUZJLFLAX-QMMMGPOBSA-N -1 0 335.410 2.829 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2cccnc2)cc1C#N ZINC000068443962 472192573 /nfs/dbraw/zinc/19/25/73/472192573.db2.gz NHGIHJBTKNJURF-JTQLQIEISA-N -1 0 328.397 2.609 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnn(C(C)(C)C)c2)cc1C#N ZINC000068466802 472197044 /nfs/dbraw/zinc/19/70/44/472197044.db2.gz VBKYPEXZXBZQQB-UHFFFAOYSA-N -1 0 331.401 2.585 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2cc3ccccc3o2)cn1 ZINC000075799791 472198271 /nfs/dbraw/zinc/19/82/71/472198271.db2.gz CQMVMNQMSXLIPF-VOTSOKGWSA-N -1 0 331.353 2.525 20 30 EFEDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055637737 472216415 /nfs/dbraw/zinc/21/64/15/472216415.db2.gz FHCPWFAAZUTZPA-UHFFFAOYSA-N -1 0 331.353 2.537 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc1 ZINC000055663731 472222218 /nfs/dbraw/zinc/22/22/18/472222218.db2.gz FIPHQNDWCPZUPL-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000029967078 472308394 /nfs/dbraw/zinc/30/83/94/472308394.db2.gz BZBDMUWMXWPMJG-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282959 472316177 /nfs/dbraw/zinc/31/61/77/472316177.db2.gz CPUWALFULUAOEE-ZYHUDNBSSA-N -1 0 347.820 2.569 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2cc(F)cc(F)c2)cc1C#N ZINC000030158819 472317001 /nfs/dbraw/zinc/31/70/01/472317001.db2.gz UZCSTIFKOHOVGH-UHFFFAOYSA-N -1 0 335.335 2.589 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1C#N ZINC000076384673 472335880 /nfs/dbraw/zinc/33/58/80/472335880.db2.gz SEHWVPNCAZCWTD-BXUZGUMPSA-N -1 0 349.456 2.706 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000030861190 472351613 /nfs/dbraw/zinc/35/16/13/472351613.db2.gz JKLQHUBPUWPJJX-UHFFFAOYSA-N -1 0 348.391 2.761 20 30 EFEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000045098087 472372433 /nfs/dbraw/zinc/37/24/33/472372433.db2.gz PLUMQQFMBUKVNO-UHFFFAOYSA-N -1 0 347.392 2.786 20 30 EFEDRM C=CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000154184246 472399139 /nfs/dbraw/zinc/39/91/39/472399139.db2.gz NEWSVWKSFOPBJW-UHFFFAOYSA-N -1 0 348.399 2.885 20 30 EFEDRM CCCc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000076841856 472414002 /nfs/dbraw/zinc/41/40/02/472414002.db2.gz MBXSJESQQNADHC-LLVKDONJSA-N -1 0 329.429 2.904 20 30 EFEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000076884320 472420266 /nfs/dbraw/zinc/42/02/66/472420266.db2.gz GITQAMXQDOWJNB-VOTSOKGWSA-N -1 0 330.749 2.860 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000076935751 472427245 /nfs/dbraw/zinc/42/72/45/472427245.db2.gz DGHLBXHJLJMIKT-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1nc(NC(=O)CSCc2ccc(Cl)cc2)[n-]c1C#N ZINC000045580630 472429533 /nfs/dbraw/zinc/42/95/33/472429533.db2.gz VEBBIQDWBZPGPR-UHFFFAOYSA-N -1 0 331.788 2.678 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(C#N)cc2)cc1C#N ZINC000032618407 472447647 /nfs/dbraw/zinc/44/76/47/472447647.db2.gz DGCHLDZWQZGKBI-UHFFFAOYSA-N -1 0 338.392 2.525 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1Br ZINC000097104528 472448183 /nfs/dbraw/zinc/44/81/83/472448183.db2.gz AFFNKJAAMZWISD-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000117741088 472477558 /nfs/dbraw/zinc/47/75/58/472477558.db2.gz YUHFBUCOTJPELA-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)c1Cl ZINC000058052557 472502295 /nfs/dbraw/zinc/50/22/95/472502295.db2.gz XFSNUPBGMBLFMK-AATRIKPKSA-N -1 0 343.767 2.571 20 30 EFEDRM Cc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1-c1cc(C)ccc1C ZINC000155077550 472505291 /nfs/dbraw/zinc/50/52/91/472505291.db2.gz FTMBEPBYPCXMRT-UHFFFAOYSA-N -1 0 345.366 2.516 20 30 EFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000155511497 472560439 /nfs/dbraw/zinc/56/04/39/472560439.db2.gz YKBWNEWBCBQFOT-JTQLQIEISA-N -1 0 345.405 2.518 20 30 EFEDRM CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130307373 472596850 /nfs/dbraw/zinc/59/68/50/472596850.db2.gz SRWWIJJPZCCWRG-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)c(F)c1 ZINC000130653042 472621264 /nfs/dbraw/zinc/62/12/64/472621264.db2.gz HEGDEYDKABVAPQ-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000072071385 472632441 /nfs/dbraw/zinc/63/24/41/472632441.db2.gz CXNGWGRNRXOQMK-UHFFFAOYSA-N -1 0 348.355 2.529 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000155912661 472638111 /nfs/dbraw/zinc/63/81/11/472638111.db2.gz DAECFOXLMNJJQV-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccnc2ccccc12 ZINC000077957805 472643754 /nfs/dbraw/zinc/64/37/54/472643754.db2.gz VDWRJOXHGKQQPG-GUOLPTJISA-N -1 0 334.397 2.569 20 30 EFEDRM O=C(NCC#Cc1ccccc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047074059 472651843 /nfs/dbraw/zinc/65/18/43/472651843.db2.gz PIMPAHYEDGKXSQ-UHFFFAOYSA-N -1 0 335.388 2.779 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCCCC#N)c2)C(=O)O1 ZINC000104077944 472655159 /nfs/dbraw/zinc/65/51/59/472655159.db2.gz IMTBIWCETHGYGN-ZEVQVBBLSA-N -1 0 339.347 2.597 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1C#N ZINC000060692452 472675004 /nfs/dbraw/zinc/67/50/04/472675004.db2.gz SEHWVPNCAZCWTD-SMDDNHRTSA-N -1 0 349.456 2.706 20 30 EFEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nnc2n1CCCCC2 ZINC000060851251 472679870 /nfs/dbraw/zinc/67/98/70/472679870.db2.gz GBBOUYYPOQRHAI-VIFPVBQESA-N -1 0 349.188 2.850 20 30 EFEDRM O=C(C=Cc1ccncc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125671 472709500 /nfs/dbraw/zinc/70/95/00/472709500.db2.gz KZQXDWIHNKMCQA-ZZXKWVIFSA-N -1 0 344.392 2.765 20 30 EFEDRM O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125657 472709571 /nfs/dbraw/zinc/70/95/71/472709571.db2.gz ZUDWYHKQPOSEHJ-VMPITWQZSA-N -1 0 344.392 2.765 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120690202 472730812 /nfs/dbraw/zinc/73/08/12/472730812.db2.gz UXYIRRJIHPTUIQ-MRVPVSSYSA-N -1 0 349.206 2.600 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000132543253 472741448 /nfs/dbraw/zinc/74/14/48/472741448.db2.gz GUKZORDSFKTXSL-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)[C@@H]1COc2ccccc21 ZINC000073087451 472769452 /nfs/dbraw/zinc/76/94/52/472769452.db2.gz CXRBIXQHIGZWFY-MRXNPFEDSA-N -1 0 343.404 2.997 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000073183311 472782556 /nfs/dbraw/zinc/78/25/56/472782556.db2.gz ZPKXTUYUPSHDGM-UHFFFAOYSA-N -1 0 348.362 2.607 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1 ZINC000073341101 472799603 /nfs/dbraw/zinc/79/96/03/472799603.db2.gz XGCHNDNNRKMFEV-UHFFFAOYSA-N -1 0 333.438 2.506 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000073341098 472799620 /nfs/dbraw/zinc/79/96/20/472799620.db2.gz GMZRGSIBWJOUGF-UHFFFAOYSA-N -1 0 333.438 2.506 20 30 EFEDRM O=C1CCC(=O)N1CCC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000105935560 472810896 /nfs/dbraw/zinc/81/08/96/472810896.db2.gz PAQHJHNBKJDFTN-CAOOACKPSA-N -1 0 329.183 2.657 20 30 EFEDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000106008792 472815781 /nfs/dbraw/zinc/81/57/81/472815781.db2.gz IHCUUIICAGLNGM-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3n[nH]cc3c2)cc1C#N ZINC000073689589 472854519 /nfs/dbraw/zinc/85/45/19/472854519.db2.gz GLTYLVXNXMFOIZ-UHFFFAOYSA-N -1 0 325.353 2.509 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(C)C)cc2)C(=O)O1 ZINC000106586513 472868419 /nfs/dbraw/zinc/86/84/19/472868419.db2.gz IDEJPHZFQFMMTL-AHKGRUIUSA-N -1 0 328.364 2.950 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2cccnc2)cc1C#N ZINC000073757418 472870183 /nfs/dbraw/zinc/87/01/83/472870183.db2.gz IBUKLTMAGDPHEB-AWEZNQCLSA-N -1 0 340.408 2.753 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc2c[nH]nc21 ZINC000048417844 472873998 /nfs/dbraw/zinc/87/39/98/472873998.db2.gz AAYBNHOMAOTGEI-UHFFFAOYSA-N -1 0 335.772 2.910 20 30 EFEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423600 472876640 /nfs/dbraw/zinc/87/66/40/472876640.db2.gz FDQPRYXHBXEMBB-UHFFFAOYSA-N -1 0 342.373 2.589 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490167 472882672 /nfs/dbraw/zinc/88/26/72/472882672.db2.gz NIGIFHAIQBSNAM-CMDGGOBGSA-N -1 0 336.369 2.659 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000048496871 472882994 /nfs/dbraw/zinc/88/29/94/472882994.db2.gz GUEWLKKQZUONEF-FLIBITNWSA-N -1 0 342.376 2.925 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)CCO2)[N-]S(=O)(=O)c1ccccc1 ZINC000073867986 472890637 /nfs/dbraw/zinc/89/06/37/472890637.db2.gz YMRXWGBRMQRNAD-VQHVLOKHSA-N -1 0 329.377 2.980 20 30 EFEDRM CC(C)Oc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000048676585 472898641 /nfs/dbraw/zinc/89/86/41/472898641.db2.gz HTRRIVLPDUXMNE-RMKNXTFCSA-N -1 0 349.412 2.566 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1 ZINC000092389076 472905256 /nfs/dbraw/zinc/90/52/56/472905256.db2.gz XYCOUCZNYLFERT-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cn1 ZINC000048813641 472912009 /nfs/dbraw/zinc/91/20/09/472912009.db2.gz IEABOJSNYPYODP-LLVKDONJSA-N -1 0 348.391 2.910 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1-n1cnnn1 ZINC000073976976 472914559 /nfs/dbraw/zinc/91/45/59/472914559.db2.gz GMOKDDDCUCKBCZ-ZDUSSCGKSA-N -1 0 344.334 2.602 20 30 EFEDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000134754246 472961921 /nfs/dbraw/zinc/96/19/21/472961921.db2.gz YICMTVUHUFTSBJ-UHFFFAOYSA-N -1 0 325.777 2.871 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccnc(Cl)c2)cc1 ZINC000092693389 472965063 /nfs/dbraw/zinc/96/50/63/472965063.db2.gz KTLVURLVWIMMFW-ZZXKWVIFSA-N -1 0 347.783 2.965 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000065593587 472985593 /nfs/dbraw/zinc/98/55/93/472985593.db2.gz AAQQPOKHBSJZOP-XEHSLEBBSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1ccc(OCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c(Cl)c1 ZINC000134911116 472987720 /nfs/dbraw/zinc/98/77/20/472987720.db2.gz RJJQOJJZGAJNIK-UHFFFAOYSA-N -1 0 343.774 2.913 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000065642580 472996707 /nfs/dbraw/zinc/99/67/07/472996707.db2.gz AYXLFFQMZCHTRK-ZDUSSCGKSA-N -1 0 333.409 2.626 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n(CCC#N)n1 ZINC000066248033 473063272 /nfs/dbraw/zinc/06/32/72/473063272.db2.gz IDELSYHAAJFMNH-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cn1 ZINC000159857446 473066974 /nfs/dbraw/zinc/06/69/74/473066974.db2.gz VQDORGAXJSTDAE-UHFFFAOYSA-N -1 0 345.428 2.600 20 30 EFEDRM CN(c1ccccc1)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1 ZINC000052557167 473123800 /nfs/dbraw/zinc/12/38/00/473123800.db2.gz AYSCGDRJZUNGOH-UHFFFAOYSA-N -1 0 343.350 2.568 20 30 EFEDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000052557343 473123936 /nfs/dbraw/zinc/12/39/36/473123936.db2.gz BMXVWINKPJNSMK-SECBINFHSA-N -1 0 329.747 2.521 20 30 EFEDRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000052557390 473124156 /nfs/dbraw/zinc/12/41/56/473124156.db2.gz XGQGHPQNKFRVRP-QMMMGPOBSA-N -1 0 331.788 2.926 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2occc2C)C1=O ZINC000136009784 473126768 /nfs/dbraw/zinc/12/67/68/473126768.db2.gz KBOZRRKDFVZLOB-QGZVFWFLSA-N -1 0 335.404 2.904 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C ZINC000160475374 473129845 /nfs/dbraw/zinc/12/98/45/473129845.db2.gz IQLPSBACMFWSIG-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000075126166 473133152 /nfs/dbraw/zinc/13/31/52/473133152.db2.gz ZRALEIHEZHMKNP-QWHCGFSZSA-N -1 0 333.450 2.580 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000136103254 473134971 /nfs/dbraw/zinc/13/49/71/473134971.db2.gz UIJWCGRAJFUUNU-NSHDSACASA-N -1 0 340.408 2.975 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000136103218 473135119 /nfs/dbraw/zinc/13/51/19/473135119.db2.gz UIJWCGRAJFUUNU-LLVKDONJSA-N -1 0 340.408 2.975 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)c(C#N)n1 ZINC000160610979 473151116 /nfs/dbraw/zinc/15/11/16/473151116.db2.gz PLFZZLOFJJXDDQ-UHFFFAOYSA-N -1 0 331.788 2.541 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)n1 ZINC000160663162 473157212 /nfs/dbraw/zinc/15/72/12/473157212.db2.gz NBGXAWOPVKLYRS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000066813942 473157293 /nfs/dbraw/zinc/15/72/93/473157293.db2.gz WETJQFJUEXOFOD-NSHDSACASA-N -1 0 336.442 2.615 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000160661808 473157599 /nfs/dbraw/zinc/15/75/99/473157599.db2.gz QUKWQHJQPSYXQB-UHFFFAOYSA-N -1 0 330.822 2.851 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000093929133 473163186 /nfs/dbraw/zinc/16/31/86/473163186.db2.gz CBKHVZBQKBDSAF-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000160715653 473165617 /nfs/dbraw/zinc/16/56/17/473165617.db2.gz TXNHXFKWVOPOKG-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1F ZINC000137230179 473199803 /nfs/dbraw/zinc/19/98/03/473199803.db2.gz UZOTXMVGWHBRFT-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cc1 ZINC000161031929 473200497 /nfs/dbraw/zinc/20/04/97/473200497.db2.gz AUHVOMMUBCCFKK-AWEZNQCLSA-N -1 0 344.392 2.527 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C2CC2)cc1 ZINC000185473655 473436170 /nfs/dbraw/zinc/43/61/70/473436170.db2.gz RFCYLUXMOWQGQT-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2cnn(C)c2n1 ZINC000190988822 473449215 /nfs/dbraw/zinc/44/92/15/473449215.db2.gz VIGLZIBJMLDXEJ-ZDUSSCGKSA-N -1 0 342.362 2.710 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2cnn(C)c2n1 ZINC000190988842 473449724 /nfs/dbraw/zinc/44/97/24/473449724.db2.gz VIGLZIBJMLDXEJ-CYBMUJFWSA-N -1 0 342.362 2.710 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000185608573 473467805 /nfs/dbraw/zinc/46/78/05/473467805.db2.gz JELJEHQZSGOHOX-UHFFFAOYSA-N -1 0 349.437 2.703 20 30 EFEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cc1 ZINC000185646475 473477462 /nfs/dbraw/zinc/47/74/62/473477462.db2.gz UOOJPCJZRLZFCJ-UHFFFAOYSA-N -1 0 348.428 2.960 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000191104146 473479504 /nfs/dbraw/zinc/47/95/04/473479504.db2.gz NEYYOYBASAGWAJ-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000114673471 473492450 /nfs/dbraw/zinc/49/24/50/473492450.db2.gz HCIDJFSJBRMCDL-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000185820188 473523558 /nfs/dbraw/zinc/52/35/58/473523558.db2.gz RKTNXMPQHZRHFM-SECBINFHSA-N -1 0 341.845 2.750 20 30 EFEDRM COC(=O)N1CCC([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000185917129 473547051 /nfs/dbraw/zinc/54/70/51/473547051.db2.gz MWYJHINNVIIVJQ-MUOOZZNISA-N -1 0 335.360 2.586 20 30 EFEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000115314035 473554924 /nfs/dbraw/zinc/55/49/24/473554924.db2.gz UNKMFYBRXWMPFM-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM C=CCCOCCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000127020190 473569187 /nfs/dbraw/zinc/56/91/87/473569187.db2.gz FQNRQNQIKKWBFZ-UHFFFAOYSA-N -1 0 343.221 2.547 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000178810602 473569745 /nfs/dbraw/zinc/56/97/45/473569745.db2.gz PYLAVUIUXDQTKX-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4o3)c2oc1=O ZINC000178882933 473584722 /nfs/dbraw/zinc/58/47/22/473584722.db2.gz VZRXLWUTZSPDJC-LLVKDONJSA-N -1 0 333.303 2.763 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000170688180 473587002 /nfs/dbraw/zinc/58/70/02/473587002.db2.gz OLYMDTAIPDJDIW-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179029418 473615237 /nfs/dbraw/zinc/61/52/37/473615237.db2.gz UKBYNERCCBYYSK-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC(C)S(=O)(=O)CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153530421 473628870 /nfs/dbraw/zinc/62/88/70/473628870.db2.gz VOZSKQQMSCMHQC-UHFFFAOYSA-N -1 0 341.477 2.556 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2F)n1 ZINC000186599341 473697068 /nfs/dbraw/zinc/69/70/68/473697068.db2.gz WMSSQBREJDOCET-UHFFFAOYSA-N -1 0 336.392 2.591 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c(F)c1 ZINC000263504150 473760896 /nfs/dbraw/zinc/76/08/96/473760896.db2.gz WLYYHKBUUSNTFQ-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263515811 473765271 /nfs/dbraw/zinc/76/52/71/473765271.db2.gz ZSOKVUKXJLINKQ-UHFFFAOYSA-N -1 0 331.372 2.674 20 30 EFEDRM CC(C)C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000263530134 473768267 /nfs/dbraw/zinc/76/82/67/473768267.db2.gz WBUKXEMXHZUUIZ-CQSZACIVSA-N -1 0 328.328 2.926 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(C(=O)[O-])CC1 ZINC000263536977 473771847 /nfs/dbraw/zinc/77/18/47/473771847.db2.gz ZWRPJWXXEZKHDV-UHFFFAOYSA-N -1 0 335.285 2.825 20 30 EFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000186877424 473773965 /nfs/dbraw/zinc/77/39/65/473773965.db2.gz YDMGPXUPJBOUSR-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#C[C@]1(NC(=O)c2cc(F)c([O-])c(F)c2)CCc2ccccc2C1 ZINC000186911777 473780487 /nfs/dbraw/zinc/78/04/87/473780487.db2.gz ZANMZFWSOFMRLJ-SFHVURJKSA-N -1 0 328.318 2.851 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000186961741 473788652 /nfs/dbraw/zinc/78/86/52/473788652.db2.gz QDXURIVCNFJJMX-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1(C#N)CCC1 ZINC000193909197 473819685 /nfs/dbraw/zinc/81/96/85/473819685.db2.gz OWMHIZDPQAMVKK-UHFFFAOYSA-N -1 0 330.775 2.750 20 30 EFEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2ccccc2[nH]1 ZINC000194087967 473840496 /nfs/dbraw/zinc/84/04/96/473840496.db2.gz RKCARPXWLGSDQR-ZDUSSCGKSA-N -1 0 328.331 2.894 20 30 EFEDRM C=CC[C@H](CC)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC000281796580 473840799 /nfs/dbraw/zinc/84/07/99/473840799.db2.gz SOTMSSQONUCAGM-ZDUSSCGKSA-N -1 0 343.452 2.956 20 30 EFEDRM CCCCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)n1 ZINC000187485120 473877917 /nfs/dbraw/zinc/87/79/17/473877917.db2.gz VCBHFLCIKDKYNE-CQSZACIVSA-N -1 0 340.431 2.800 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000180486104 473888991 /nfs/dbraw/zinc/88/89/91/473888991.db2.gz VAHUGMUNWRLPII-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000187764169 473916440 /nfs/dbraw/zinc/91/64/40/473916440.db2.gz ZJUJVGZLZKKJGN-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000187760374 473916649 /nfs/dbraw/zinc/91/66/49/473916649.db2.gz QJCAZKKZVPXJKI-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000187765619 473916869 /nfs/dbraw/zinc/91/68/69/473916869.db2.gz GOAPWYHFRARHFR-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)OCC ZINC000270054958 473970563 /nfs/dbraw/zinc/97/05/63/473970563.db2.gz SDQORWFVXTWXGR-LBPRGKRZSA-N -1 0 335.429 2.727 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000181261176 474020452 /nfs/dbraw/zinc/02/04/52/474020452.db2.gz YJHWAUKZHNDJFI-ZZXKWVIFSA-N -1 0 347.223 2.756 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000181292126 474024175 /nfs/dbraw/zinc/02/41/75/474024175.db2.gz LEWRLTOICQBOLI-SNVBAGLBSA-N -1 0 338.289 2.694 20 30 EFEDRM N#Cc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC000188298535 474049602 /nfs/dbraw/zinc/04/96/02/474049602.db2.gz KZKQOUVBLRWEGK-UHFFFAOYSA-N -1 0 349.434 2.701 20 30 EFEDRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000181770656 474061514 /nfs/dbraw/zinc/06/15/14/474061514.db2.gz GXGRTEBTYULBJT-GFCCVEGCSA-N -1 0 344.392 2.937 20 30 EFEDRM N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000282478185 474080352 /nfs/dbraw/zinc/08/03/52/474080352.db2.gz XJFUKYBKEQAFTO-SNVBAGLBSA-N -1 0 332.347 2.801 20 30 EFEDRM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188799419 474199926 /nfs/dbraw/zinc/19/99/26/474199926.db2.gz BSOREUYWEFVMHS-GFCCVEGCSA-N -1 0 338.363 2.868 20 30 EFEDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000289632004 474353619 /nfs/dbraw/zinc/35/36/19/474353619.db2.gz CSECYINJKNNSOW-VIFPVBQESA-N -1 0 337.426 2.923 20 30 EFEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000189403575 474385991 /nfs/dbraw/zinc/38/59/91/474385991.db2.gz JQFXEUJPZZTWAP-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1C ZINC000271072176 474396691 /nfs/dbraw/zinc/39/66/91/474396691.db2.gz OLBWXKDKXJDJNU-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000276173115 474441011 /nfs/dbraw/zinc/44/10/11/474441011.db2.gz RLZACOPLFNJZEY-KGYLQXTDSA-N -1 0 334.397 2.509 20 30 EFEDRM CC(C)OCCS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000176465951 474483122 /nfs/dbraw/zinc/48/31/22/474483122.db2.gz CZZBETPVTKRNIX-UHFFFAOYSA-N -1 0 326.418 2.512 20 30 EFEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000176594758 474504522 /nfs/dbraw/zinc/50/45/22/474504522.db2.gz GLAOVHSXRNGNDS-UHFFFAOYSA-N -1 0 337.430 2.509 20 30 EFEDRM C=CCOc1ccc(OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000276944039 474574988 /nfs/dbraw/zinc/57/49/88/474574988.db2.gz AWZYNYGXGKTFES-UHFFFAOYSA-N -1 0 331.290 2.614 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@H]1C#N ZINC000277648594 474592048 /nfs/dbraw/zinc/59/20/48/474592048.db2.gz YSAQMEZKKBSWQR-HNNXBMFYSA-N -1 0 342.374 2.871 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)cc1 ZINC000337058329 474670768 /nfs/dbraw/zinc/67/07/68/474670768.db2.gz WBFUONKQCIPOBY-UHFFFAOYSA-N -1 0 338.367 2.814 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCO[C@@H](c3ccncc3)C2)s1 ZINC000629085668 480120324 /nfs/dbraw/zinc/12/03/24/480120324.db2.gz ALEXOXJQBMDFEK-QWHCGFSZSA-N -1 0 334.470 2.965 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC(C)C ZINC000278550158 474696331 /nfs/dbraw/zinc/69/63/31/474696331.db2.gz OGOSNPVFSACHAB-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CCCCS(=O)(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000291822470 474704063 /nfs/dbraw/zinc/70/40/63/474704063.db2.gz FFJRHWDOFWIIHU-CYBMUJFWSA-N -1 0 331.821 2.694 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc12 ZINC000340843240 474710843 /nfs/dbraw/zinc/71/08/43/474710843.db2.gz BHAKDXLAIYYDNG-GFCCVEGCSA-N -1 0 331.335 2.908 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(CN2CCCCC2)cs1 ZINC000291837094 474712383 /nfs/dbraw/zinc/71/23/83/474712383.db2.gz GYLLNPDYFKQIEF-UHFFFAOYSA-N -1 0 329.491 2.837 20 30 EFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1 ZINC000337131216 474723754 /nfs/dbraw/zinc/72/37/54/474723754.db2.gz JQJBXYNBSHVGQY-UHFFFAOYSA-N -1 0 330.413 2.718 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)oc1C ZINC000337144937 474736826 /nfs/dbraw/zinc/73/68/26/474736826.db2.gz XCKDYPDCXQGXAO-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1n[nH]c(SCc2ccccc2)n1 ZINC000291909177 474747650 /nfs/dbraw/zinc/74/76/50/474747650.db2.gz RYUPNYSWMDBWJJ-UHFFFAOYSA-N -1 0 338.458 2.805 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000291919452 474752365 /nfs/dbraw/zinc/75/23/65/474752365.db2.gz UQHIDHMEFWPIBT-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1ccc(C(F)(F)F)cn1 ZINC000344601646 474769060 /nfs/dbraw/zinc/76/90/60/474769060.db2.gz FZHXBIPZFDZDRL-JTQLQIEISA-N -1 0 343.268 2.929 20 30 EFEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1ccc(C(F)(F)F)cn1 ZINC000344601647 474769459 /nfs/dbraw/zinc/76/94/59/474769459.db2.gz FZHXBIPZFDZDRL-SNVBAGLBSA-N -1 0 343.268 2.929 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C1CC1 ZINC000291963271 474776303 /nfs/dbraw/zinc/77/63/03/474776303.db2.gz RWAQHEAODCMRAK-UHFFFAOYSA-N -1 0 334.376 2.592 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c2ncccc12 ZINC000340969207 474832537 /nfs/dbraw/zinc/83/25/37/474832537.db2.gz CGYRBUMCCWUMON-UHFFFAOYSA-N -1 0 343.364 2.899 20 30 EFEDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340971394 474833795 /nfs/dbraw/zinc/83/37/95/474833795.db2.gz ODLUOFDPXMHYBG-UHFFFAOYSA-N -1 0 348.380 2.862 20 30 EFEDRM CC(C)(CC(=O)Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000284961588 474842063 /nfs/dbraw/zinc/84/20/63/474842063.db2.gz DWHXQPLUDLFARS-UHFFFAOYSA-N -1 0 325.162 2.760 20 30 EFEDRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC(C)(C#N)C2)s1)c1ccccc1 ZINC000345047544 474844640 /nfs/dbraw/zinc/84/46/40/474844640.db2.gz YFBKAVAGDPKUBX-CYBMUJFWSA-N -1 0 341.440 2.879 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)[O-] ZINC000316192373 474877641 /nfs/dbraw/zinc/87/76/41/474877641.db2.gz XXYGYYYUUYPZEE-LBPRGKRZSA-N -1 0 341.205 2.668 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000316722769 474881515 /nfs/dbraw/zinc/88/15/15/474881515.db2.gz UIDJNJGNXDTTFO-UHFFFAOYSA-N -1 0 336.394 2.622 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)s1 ZINC000318884328 474893882 /nfs/dbraw/zinc/89/38/82/474893882.db2.gz FTJQTRSUCHUJDW-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000320492051 474913121 /nfs/dbraw/zinc/91/31/21/474913121.db2.gz UZBRFMWTKHNJMO-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000320514177 474913748 /nfs/dbraw/zinc/91/37/48/474913748.db2.gz ZGORZHDHVFHHBN-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000321140205 474922531 /nfs/dbraw/zinc/92/25/31/474922531.db2.gz VDGPPBZWSOYVCL-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000345173714 474960753 /nfs/dbraw/zinc/96/07/53/474960753.db2.gz ZZFSISSZCXKMLH-UHFFFAOYSA-N -1 0 335.367 2.973 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1c(F)cccc1F ZINC000345175456 474962000 /nfs/dbraw/zinc/96/20/00/474962000.db2.gz WXHIDVZYHPVYKU-NSHDSACASA-N -1 0 339.305 2.739 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000324426439 474969272 /nfs/dbraw/zinc/96/92/72/474969272.db2.gz OUVSPHXIKLGGSP-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM COCc1c2ccccc2oc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000345207637 474991138 /nfs/dbraw/zinc/99/11/38/474991138.db2.gz LKFGNRJLSGFCOA-UHFFFAOYSA-N -1 0 338.367 2.902 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000280000425 475004457 /nfs/dbraw/zinc/00/44/57/475004457.db2.gz SASZTFJHFGKZFG-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccccc1 ZINC000339190530 475022955 /nfs/dbraw/zinc/02/29/55/475022955.db2.gz WWDCPMAZIYLGLZ-ZDUSSCGKSA-N -1 0 327.384 2.841 20 30 EFEDRM N#Cc1c(F)cccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000280912783 475056211 /nfs/dbraw/zinc/05/62/11/475056211.db2.gz AMFVKFVQSDPWMC-UHFFFAOYSA-N -1 0 329.297 2.592 20 30 EFEDRM CC[C@H](c1n[n-]c(=NC(=O)NCCCC#N)s1)c1ccccc1 ZINC000345281594 475057009 /nfs/dbraw/zinc/05/70/09/475057009.db2.gz QVZNEXRODOCOQZ-ZDUSSCGKSA-N -1 0 329.429 2.927 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)sc2nccn12 ZINC000329500130 475088468 /nfs/dbraw/zinc/08/84/68/475088468.db2.gz KDBJWCHLRYMYLO-LLVKDONJSA-N -1 0 340.412 2.512 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)sc2nccn12 ZINC000329500131 475089711 /nfs/dbraw/zinc/08/97/11/475089711.db2.gz KDBJWCHLRYMYLO-NSHDSACASA-N -1 0 340.412 2.512 20 30 EFEDRM CC[C@H]1C[C@@H](C([O-])=Nc2cncc(-c3nncn3C)c2)CC(=O)N1 ZINC000329590703 475093200 /nfs/dbraw/zinc/09/32/00/475093200.db2.gz NPLBNPNGBBBDKV-PWSUYJOCSA-N -1 0 328.376 2.610 20 30 EFEDRM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329675913 475111513 /nfs/dbraw/zinc/11/15/13/475111513.db2.gz VXHMJNFALACKAH-MRLBHPIUSA-N -1 0 349.479 2.859 20 30 EFEDRM C#CCO[C@H](C)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000295353689 475122096 /nfs/dbraw/zinc/12/20/96/475122096.db2.gz QOKZAVUNDMCZIW-SSDOTTSWSA-N -1 0 332.581 2.785 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2(C)CCOC2)s[n-]1 ZINC000329976658 475176546 /nfs/dbraw/zinc/17/65/46/475176546.db2.gz YWSNZAISBXLUJW-CQSZACIVSA-N -1 0 338.458 2.749 20 30 EFEDRM Cc1nn(C)c(C)c1[C@H](NC(=O)c1csc(=O)[nH]1)C(F)(F)F ZINC000329981342 475177996 /nfs/dbraw/zinc/17/79/96/475177996.db2.gz NBLUHVZKIXWDRF-VIFPVBQESA-N -1 0 334.323 2.807 20 30 EFEDRM C=CCOc1ccc(CC(=O)N=c2nc(C(C)(C)OC)[n-]s2)cc1 ZINC000634148237 480151397 /nfs/dbraw/zinc/15/13/97/480151397.db2.gz KIKQTKZVOIROJJ-UHFFFAOYSA-N -1 0 347.440 2.588 20 30 EFEDRM C=CCc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc(OC)c1OC ZINC000262259043 475209471 /nfs/dbraw/zinc/20/94/71/475209471.db2.gz FSIZXXCVVODTBX-UHFFFAOYSA-N -1 0 347.411 2.950 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(Cl)c1 ZINC000341666403 475213819 /nfs/dbraw/zinc/21/38/19/475213819.db2.gz PCQDZJJZYLZVMQ-LLVKDONJSA-N -1 0 338.738 2.831 20 30 EFEDRM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCC(F)(F)CC1 ZINC000330514656 475251699 /nfs/dbraw/zinc/25/16/99/475251699.db2.gz VBEJCKYYIHQRHF-UHFFFAOYSA-N -1 0 332.372 2.941 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc([N+](=O)[O-])c1C ZINC000361183047 475252640 /nfs/dbraw/zinc/25/26/40/475252640.db2.gz MNRMRAGPWAUMBA-ZDUSSCGKSA-N -1 0 340.339 2.809 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)s1 ZINC000330695285 475268025 /nfs/dbraw/zinc/26/80/25/475268025.db2.gz JFFMCASRFQTTEY-VXGBXAGGSA-N -1 0 326.466 2.832 20 30 EFEDRM CCCc1nc(=NC(=O)NC[C@](C)(O)C2CCCCC2)s[n-]1 ZINC000330852256 475283007 /nfs/dbraw/zinc/28/30/07/475283007.db2.gz OANKBNRRJFBFBA-HNNXBMFYSA-N -1 0 326.466 2.570 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000337745680 475290649 /nfs/dbraw/zinc/29/06/49/475290649.db2.gz CQRGEWHGSVDCBI-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM Cc1nc(C)c(CNC(=O)N=c2[n-]nc(C(F)(F)F)s2)s1 ZINC000330999903 475300560 /nfs/dbraw/zinc/30/05/60/475300560.db2.gz ZSDIYLPZWSMGJC-UHFFFAOYSA-N -1 0 337.352 2.578 20 30 EFEDRM C[C@@H]1CC[C@H](CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000331057605 475307648 /nfs/dbraw/zinc/30/76/48/475307648.db2.gz ABELFVMQUGWJJL-MNOVXSKESA-N -1 0 328.409 2.938 20 30 EFEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000337868782 475391993 /nfs/dbraw/zinc/39/19/93/475391993.db2.gz PSTCWTQBZWPCED-UHFFFAOYSA-N -1 0 346.408 2.579 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000337878073 475401502 /nfs/dbraw/zinc/40/15/02/475401502.db2.gz WBUJHIFCEBWSAA-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000358114124 475413377 /nfs/dbraw/zinc/41/33/77/475413377.db2.gz FITLJAMYJUOKCN-UHFFFAOYSA-N -1 0 338.820 2.934 20 30 EFEDRM C=CCOc1cccnc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000341934214 475426198 /nfs/dbraw/zinc/42/61/98/475426198.db2.gz WULNTQYDFQZFSZ-UHFFFAOYSA-N -1 0 338.392 2.839 20 30 EFEDRM CC[C@@H](C)c1ncc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cn1 ZINC000358155185 475446134 /nfs/dbraw/zinc/44/61/34/475446134.db2.gz TYHWZRKYBDQGMM-SECBINFHSA-N -1 0 343.412 2.937 20 30 EFEDRM N#Cc1ccc(OCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345788664 475451521 /nfs/dbraw/zinc/45/15/21/475451521.db2.gz UFRXCORATOVPBC-INIZCTEOSA-N -1 0 344.754 2.533 20 30 EFEDRM COCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(C)(C)C ZINC000337960657 475462818 /nfs/dbraw/zinc/46/28/18/475462818.db2.gz YQFMZSZSXUXXBE-AWEZNQCLSA-N -1 0 344.864 2.941 20 30 EFEDRM Cc1cc([C@@H](C#N)C(=O)c2ccc(OCC(F)F)nc2)nc(C)n1 ZINC000341977810 475469325 /nfs/dbraw/zinc/46/93/25/475469325.db2.gz NAAOXXRCLQKXSG-GFCCVEGCSA-N -1 0 332.310 2.622 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000338028274 475522586 /nfs/dbraw/zinc/52/25/86/475522586.db2.gz LXYFJRKZLOTFCA-WCQYABFASA-N -1 0 330.413 2.693 20 30 EFEDRM Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000352698717 475542385 /nfs/dbraw/zinc/54/23/85/475542385.db2.gz XABHTEQVBLKYOI-ZDUSSCGKSA-N -1 0 348.362 2.723 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000345983477 475549052 /nfs/dbraw/zinc/54/90/52/475549052.db2.gz RUCRMGFEHDQJFW-GWCFXTLKSA-N -1 0 343.326 2.511 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1ccc(C(F)(F)F)cn1 ZINC000342270129 475581726 /nfs/dbraw/zinc/58/17/26/475581726.db2.gz DXDNNSCLZGJUNT-QMMMGPOBSA-N -1 0 339.298 2.751 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccc1OC ZINC000346381063 475592984 /nfs/dbraw/zinc/59/29/84/475592984.db2.gz NUFHTOBUZJJZBV-ZDUSSCGKSA-N -1 0 347.378 2.723 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000332369726 475616226 /nfs/dbraw/zinc/61/62/26/475616226.db2.gz WNCDRIRUSGBRIE-WCQYABFASA-N -1 0 349.456 2.536 20 30 EFEDRM C=CCc1ccc(OCC(=O)NC(CC)(CC)C(=O)[O-])c(OC)c1 ZINC000342582461 475616464 /nfs/dbraw/zinc/61/64/64/475616464.db2.gz ZRDLFMXPIGSTMF-UHFFFAOYSA-N -1 0 335.400 2.562 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000361644357 475625666 /nfs/dbraw/zinc/62/56/66/475625666.db2.gz MFGRAYGNXWRJLM-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM C=C1CCN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CC1 ZINC000342791899 475640904 /nfs/dbraw/zinc/64/09/04/475640904.db2.gz VDMNKPDZLXCIMN-UHFFFAOYSA-N -1 0 328.821 2.504 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000348449532 475672385 /nfs/dbraw/zinc/67/23/85/475672385.db2.gz ACAOLIDKMIMLCA-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C=CC[C@H](CC)[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000353155685 475728197 /nfs/dbraw/zinc/72/81/97/475728197.db2.gz UIRBKLPYYFGLQW-QMMMGPOBSA-N -1 0 339.280 2.847 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000358502834 475731444 /nfs/dbraw/zinc/73/14/44/475731444.db2.gz ZLFBNPQWWCDHIG-NSHDSACASA-N -1 0 330.413 2.971 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1ccc(OC)n[n-]1 ZINC000346669855 475748992 /nfs/dbraw/zinc/74/89/92/475748992.db2.gz OENBMBNNLZDTCP-UHFFFAOYSA-N -1 0 338.820 2.842 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1Cl ZINC000358529081 475749673 /nfs/dbraw/zinc/74/96/73/475749673.db2.gz PPNQMEXNWZLKOB-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1C ZINC000350129163 476061818 /nfs/dbraw/zinc/06/18/18/476061818.db2.gz ZXIGGLORNZWIJT-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355840329 476064924 /nfs/dbraw/zinc/06/49/24/476064924.db2.gz XZNYUZMIZWVQKB-UHFFFAOYSA-N -1 0 346.408 2.579 20 30 EFEDRM CCn1cn[n-]c1=NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000356105820 476082730 /nfs/dbraw/zinc/08/27/30/476082730.db2.gz OPDWFUSIOGVUFN-UHFFFAOYSA-N -1 0 347.378 2.831 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000336843344 476140261 /nfs/dbraw/zinc/14/02/61/476140261.db2.gz WOMLAHFBYCJOAL-UHFFFAOYSA-N -1 0 340.177 2.649 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000336864769 476147864 /nfs/dbraw/zinc/14/78/64/476147864.db2.gz ROXHDRUGZQYTSC-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ccc1OC(C)C ZINC000357074857 476209645 /nfs/dbraw/zinc/20/96/45/476209645.db2.gz ITOAKBFWAZXAPM-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2cncc(C#N)c2)cnn1C(CC)CC ZINC000357085486 476219962 /nfs/dbraw/zinc/21/99/62/476219962.db2.gz KNWWQMACLJQIMU-UHFFFAOYSA-N -1 0 347.444 2.874 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000357206208 476289763 /nfs/dbraw/zinc/28/97/63/476289763.db2.gz XERHCGVMKFFBST-UHFFFAOYSA-N -1 0 344.392 2.693 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000362519673 476294940 /nfs/dbraw/zinc/29/49/40/476294940.db2.gz NEDLAAYGRASWRP-PSLIRLAXSA-N -1 0 349.456 2.586 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000357326755 476332709 /nfs/dbraw/zinc/33/27/09/476332709.db2.gz APXRFYBEVMGGNV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362659721 476343702 /nfs/dbraw/zinc/34/37/02/476343702.db2.gz WXEMFZVSPLVGIJ-UHFFFAOYSA-N -1 0 330.413 2.912 20 30 EFEDRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)s1 ZINC000360804585 476399508 /nfs/dbraw/zinc/39/95/08/476399508.db2.gz XCUTVGCRMYGTAY-UHFFFAOYSA-N -1 0 337.426 2.695 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C#N)cc1N(C)C ZINC000357492643 476415025 /nfs/dbraw/zinc/41/50/25/476415025.db2.gz XLBMYZSAIDKHTJ-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000354105585 476429910 /nfs/dbraw/zinc/42/99/10/476429910.db2.gz CDHVGWAOCYBWRK-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)c1 ZINC000357522887 476430688 /nfs/dbraw/zinc/43/06/88/476430688.db2.gz KVCIGEAIISUZLV-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000351401951 476441541 /nfs/dbraw/zinc/44/15/41/476441541.db2.gz VSICSUFJYNSTIA-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM CCOC(=O)c1n[nH]c(-c2cccc(CNc3cccc(C#N)n3)c2)n1 ZINC000357634590 476504431 /nfs/dbraw/zinc/50/44/31/476504431.db2.gz YRLOUNHOKSBBIZ-UHFFFAOYSA-N -1 0 348.366 2.527 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000352190785 476537179 /nfs/dbraw/zinc/53/71/79/476537179.db2.gz DLWCQVILMILVIQ-UHFFFAOYSA-N -1 0 345.420 2.993 20 30 EFEDRM COC(=O)c1coc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000354367807 476615264 /nfs/dbraw/zinc/61/52/64/476615264.db2.gz VPUYJEFWDRTPFY-SNVBAGLBSA-N -1 0 338.241 2.970 20 30 EFEDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)o2)n1 ZINC000361131895 476624057 /nfs/dbraw/zinc/62/40/57/476624057.db2.gz MCGJHVSPZJPBTN-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000357856927 476652559 /nfs/dbraw/zinc/65/25/59/476652559.db2.gz CGELHPCPGDIGEK-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1C(C)C ZINC000354470325 476678318 /nfs/dbraw/zinc/67/83/18/476678318.db2.gz NHOZBLDYBMSDGW-HNNXBMFYSA-N -1 0 346.394 2.979 20 30 EFEDRM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000443421900 476715022 /nfs/dbraw/zinc/71/50/22/476715022.db2.gz YNUMYCUQPNWMIT-UHFFFAOYSA-N -1 0 334.397 2.643 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000382503043 476742285 /nfs/dbraw/zinc/74/22/85/476742285.db2.gz SDIKCTNYDVEUDH-UHFFFAOYSA-N -1 0 337.422 2.940 20 30 EFEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000430520866 476846451 /nfs/dbraw/zinc/84/64/51/476846451.db2.gz PMJYOPJNSJLMRQ-LLVKDONJSA-N -1 0 337.408 2.965 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3cccnc23)s1 ZINC000430602325 476877899 /nfs/dbraw/zinc/87/78/99/476877899.db2.gz KZPKORGJDSEURA-SNVBAGLBSA-N -1 0 325.397 2.973 20 30 EFEDRM Cn1nc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430610142 476880648 /nfs/dbraw/zinc/88/06/48/476880648.db2.gz KDHIMWBOVCSDQT-QMMMGPOBSA-N -1 0 333.373 2.572 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)s1 ZINC000446752373 476916387 /nfs/dbraw/zinc/91/63/87/476916387.db2.gz OEEXNBZVIPWZGA-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000408515079 476958350 /nfs/dbraw/zinc/95/83/50/476958350.db2.gz FAYJVVUTOOTPFJ-INIZCTEOSA-N -1 0 348.402 2.995 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000447156896 476959255 /nfs/dbraw/zinc/95/92/55/476959255.db2.gz RMBNVAYHMUKWGV-LLVKDONJSA-N -1 0 327.377 2.562 20 30 EFEDRM CCSc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000431329304 477010401 /nfs/dbraw/zinc/01/04/01/477010401.db2.gz BOVMAFQBLDBFGL-UHFFFAOYSA-N -1 0 340.455 2.631 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(N(C)C)c3ccccc3n2)[n-]1 ZINC000410537789 477015448 /nfs/dbraw/zinc/01/54/48/477015448.db2.gz FOCHLOYRNCOTKF-UHFFFAOYSA-N -1 0 348.410 2.624 20 30 EFEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000447609606 477023667 /nfs/dbraw/zinc/02/36/67/477023667.db2.gz YQMGKHNSRJQWDY-HNNXBMFYSA-N -1 0 343.408 2.540 20 30 EFEDRM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ncn(C)n3)sc2C1 ZINC000411008684 477089124 /nfs/dbraw/zinc/08/91/24/477089124.db2.gz TZUONVLWZLVSAB-SNVBAGLBSA-N -1 0 329.429 2.761 20 30 EFEDRM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ncn(C)n3)sc2C1 ZINC000411008681 477089491 /nfs/dbraw/zinc/08/94/91/477089491.db2.gz TZUONVLWZLVSAB-JTQLQIEISA-N -1 0 329.429 2.761 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000448133168 477134389 /nfs/dbraw/zinc/13/43/89/477134389.db2.gz VHVHSMFEMXOWAV-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)s2)no1 ZINC000366824474 477206395 /nfs/dbraw/zinc/20/63/95/477206395.db2.gz LUWLCGADHTZTJF-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424066490 477279410 /nfs/dbraw/zinc/27/94/10/477279410.db2.gz NLWCBHIYCBJCBX-UHFFFAOYSA-N -1 0 338.429 2.514 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)nc2ccc(OC)cc21)C(=O)[O-] ZINC000448991055 477374516 /nfs/dbraw/zinc/37/45/16/477374516.db2.gz IRNWWUUJWHHMKK-MRXNPFEDSA-N -1 0 328.368 2.701 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000416933342 477375614 /nfs/dbraw/zinc/37/56/14/477375614.db2.gz ARHMZFHKKQFRQT-KBPBESRZSA-N -1 0 338.429 2.597 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000416933062 477375694 /nfs/dbraw/zinc/37/56/94/477375694.db2.gz ADSSGMYCGJXFIN-CJNGLKHVSA-N -1 0 349.456 2.745 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000416936310 477377369 /nfs/dbraw/zinc/37/73/69/477377369.db2.gz HTAVGVFUYQVXTF-MRXNPFEDSA-N -1 0 349.456 2.603 20 30 EFEDRM CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416935854 477377766 /nfs/dbraw/zinc/37/77/66/477377766.db2.gz GYLJVRKVRQIWIK-NSHDSACASA-N -1 0 343.836 2.524 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000416943825 477381288 /nfs/dbraw/zinc/38/12/88/477381288.db2.gz UIMPPGYTDMQCQZ-KGLIPLIRSA-N -1 0 338.429 2.678 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000416946313 477381553 /nfs/dbraw/zinc/38/15/53/477381553.db2.gz ASKADHOCWSKSTH-LLVKDONJSA-N -1 0 339.314 2.844 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2ccccc2Cl)n1 ZINC000416944218 477381872 /nfs/dbraw/zinc/38/18/72/477381872.db2.gz DDAGRNCFSSAPOG-LLVKDONJSA-N -1 0 338.820 2.878 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1O[C@@H](C)COC ZINC000416951059 477383975 /nfs/dbraw/zinc/38/39/75/477383975.db2.gz FTEKFHSXDVJUHB-CMPLNLGQSA-N -1 0 346.836 2.798 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)C(=O)[O-] ZINC000424390572 477387042 /nfs/dbraw/zinc/38/70/42/477387042.db2.gz OFKSGIZOLMRGDN-CYBMUJFWSA-N -1 0 348.403 2.633 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1ncccc1OCCCC#N)C(=O)[O-] ZINC000424389529 477387104 /nfs/dbraw/zinc/38/71/04/477387104.db2.gz LICFNTMZWZEIBQ-UHFFFAOYSA-N -1 0 348.403 2.777 20 30 EFEDRM CCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1cccc(C)c1 ZINC000416962713 477389811 /nfs/dbraw/zinc/38/98/11/477389811.db2.gz RAGVCMCRBDSCQM-CQSZACIVSA-N -1 0 332.429 2.787 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C ZINC000416963274 477389965 /nfs/dbraw/zinc/38/99/65/477389965.db2.gz RHHNHVMNJACVSE-CYBMUJFWSA-N -1 0 338.820 2.878 20 30 EFEDRM CC(C)(CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000424398584 477390008 /nfs/dbraw/zinc/39/00/08/477390008.db2.gz APAPREHKITVBFN-UHFFFAOYSA-N -1 0 341.411 2.858 20 30 EFEDRM CCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1ccccc1C ZINC000416969029 477394603 /nfs/dbraw/zinc/39/46/03/477394603.db2.gz ZVEJFNGVWFXICP-ZDUSSCGKSA-N -1 0 332.429 2.787 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424412034 477395573 /nfs/dbraw/zinc/39/55/73/477395573.db2.gz PSVNGKBTXIJNOU-UHFFFAOYSA-N -1 0 334.416 2.942 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000424420994 477401054 /nfs/dbraw/zinc/40/10/54/477401054.db2.gz LDSDEJZOTURFIT-CQSZACIVSA-N -1 0 329.400 2.593 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H](Cc2ccccc2F)C(C)=O)s1 ZINC000436117880 477422845 /nfs/dbraw/zinc/42/28/45/477422845.db2.gz JVSSPJZEOSZVFA-CYBMUJFWSA-N -1 0 337.445 2.989 20 30 EFEDRM C=CCC1(NC(=O)N=c2ccc(-c3ccnn3C)n[n-]2)CCCCC1 ZINC000417305304 477450667 /nfs/dbraw/zinc/45/06/67/477450667.db2.gz WCRPBVUJIZHMOQ-UHFFFAOYSA-N -1 0 340.431 2.700 20 30 EFEDRM C=CCC1(CNC(=O)N=c2ccc(-c3ccnn3C)n[n-]2)CCCC1 ZINC000417306181 477450801 /nfs/dbraw/zinc/45/08/01/477450801.db2.gz ZOYWPXAMCHBLLT-UHFFFAOYSA-N -1 0 340.431 2.557 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])s1 ZINC000436647643 477543759 /nfs/dbraw/zinc/54/37/59/477543759.db2.gz REUNAABKGQUZEM-UHFFFAOYSA-N -1 0 331.397 2.714 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436662713 477550664 /nfs/dbraw/zinc/55/06/64/477550664.db2.gz ZZAZWICHBDHQFB-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436732982 477574149 /nfs/dbraw/zinc/57/41/49/477574149.db2.gz UEPVKESQAKPDAA-HNNXBMFYSA-N -1 0 325.324 2.857 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436828577 477604181 /nfs/dbraw/zinc/60/41/81/477604181.db2.gz QPMMIIXHPZGIIT-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM C=CCCOCCNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436852246 477612786 /nfs/dbraw/zinc/61/27/86/477612786.db2.gz ONQJOIXSYHOZPL-UHFFFAOYSA-N -1 0 332.169 2.616 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436978325 477656811 /nfs/dbraw/zinc/65/68/11/477656811.db2.gz HYTYYBAPGDFXMQ-UHFFFAOYSA-N -1 0 342.311 2.630 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cnn1CCC(C)C ZINC000427260327 477771683 /nfs/dbraw/zinc/77/16/83/477771683.db2.gz LOUKNAUKRDBRKC-UHFFFAOYSA-N -1 0 347.444 2.614 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427633345 477776008 /nfs/dbraw/zinc/77/60/08/477776008.db2.gz IIBPPTGDQAAPHW-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)[nH]n1 ZINC000450976663 477780660 /nfs/dbraw/zinc/78/06/60/477780660.db2.gz CQCADUHNERDKMN-UHFFFAOYSA-N -1 0 338.820 2.882 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(=O)[O-] ZINC000455907239 477781062 /nfs/dbraw/zinc/78/10/62/477781062.db2.gz NZFCVNNOEBRMOQ-KRWDZBQOSA-N -1 0 347.411 2.784 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NCc2cc(C#N)ccc2F)s[n-]1 ZINC000437994916 477785161 /nfs/dbraw/zinc/78/51/61/477785161.db2.gz QILVZDUOYNMGGZ-UHFFFAOYSA-N -1 0 333.392 2.590 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2sccc2Cl)nn1CCC#N ZINC000451027702 477795726 /nfs/dbraw/zinc/79/57/26/477795726.db2.gz PZYKFKZKYQYKSM-UHFFFAOYSA-N -1 0 330.822 2.621 20 30 EFEDRM CC1(C)C(c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)n[nH]2)C1(C)C ZINC000451054316 477804532 /nfs/dbraw/zinc/80/45/32/477804532.db2.gz IQBIEUXKHHZSCJ-UHFFFAOYSA-N -1 0 334.401 2.825 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451084125 477814384 /nfs/dbraw/zinc/81/43/84/477814384.db2.gz JIPPBWSZWDBRDG-UHFFFAOYSA-N -1 0 348.428 2.876 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)nc1 ZINC000451100562 477823320 /nfs/dbraw/zinc/82/33/20/477823320.db2.gz VJOCLQRRLWOMNP-UHFFFAOYSA-N -1 0 330.413 2.800 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C/C=C\C)C(=O)[O-])cc1OC ZINC000493792260 477826422 /nfs/dbraw/zinc/82/64/22/477826422.db2.gz PQBAUBFWLFFEBO-CEFJDXKXSA-N -1 0 345.395 2.809 20 30 EFEDRM Cc1c(Cl)cncc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000459300038 477827464 /nfs/dbraw/zinc/82/74/64/477827464.db2.gz BRROCCXZNLENFC-LLVKDONJSA-N -1 0 329.791 2.851 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451110888 477828522 /nfs/dbraw/zinc/82/85/22/477828522.db2.gz ZJCMLLLGHSLMII-VIFPVBQESA-N -1 0 336.335 2.581 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NCc1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000515786900 477861658 /nfs/dbraw/zinc/86/16/58/477861658.db2.gz GDVLFHVSBQLUJN-QGZVFWFLSA-N -1 0 348.443 2.684 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)s1 ZINC000530913507 477893667 /nfs/dbraw/zinc/89/36/67/477893667.db2.gz PYSLKBAWWLWXDZ-UHFFFAOYSA-N -1 0 344.396 2.875 20 30 EFEDRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000516185714 477903531 /nfs/dbraw/zinc/90/35/31/477903531.db2.gz KREXQATWEHFMQZ-GFCCVEGCSA-N -1 0 338.429 2.946 20 30 EFEDRM Cc1cc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[n-]nc1C ZINC000531813698 477912386 /nfs/dbraw/zinc/91/23/86/477912386.db2.gz QQOSWXDPYGDNES-SJORKVTESA-N -1 0 335.411 2.819 20 30 EFEDRM CCC[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1nnn[n-]1 ZINC000532334930 477924501 /nfs/dbraw/zinc/92/45/01/477924501.db2.gz NMRNPWXDJUKSQN-SFHVURJKSA-N -1 0 345.406 2.871 20 30 EFEDRM Cn1nnc2c1nccc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000558906533 477941350 /nfs/dbraw/zinc/94/13/50/477941350.db2.gz KQSYPJXQIANSLH-JTQLQIEISA-N -1 0 340.412 2.607 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000516574066 477953920 /nfs/dbraw/zinc/95/39/20/477953920.db2.gz KDBXKYRHYCMESG-SECBINFHSA-N -1 0 344.820 2.517 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000494298914 477960722 /nfs/dbraw/zinc/96/07/22/477960722.db2.gz KWQUQWNCDPXLAQ-UHFFFAOYSA-N -1 0 334.376 2.579 20 30 EFEDRM Cc1cc(=NC(=O)c2cnn(CCC#N)c2-c2ccccc2)[n-]nc1C ZINC000428705303 477964592 /nfs/dbraw/zinc/96/45/92/477964592.db2.gz CEBITJAWUHMQPS-UHFFFAOYSA-N -1 0 346.394 2.545 20 30 EFEDRM CN(C(=O)OC(C)(C)C)C(C)(C)C=NN=c1ccc(Cl)n[n-]1 ZINC000494365039 477971737 /nfs/dbraw/zinc/97/17/37/477971737.db2.gz PHEDWUXTWWFQHP-UHFFFAOYSA-N -1 0 327.816 2.595 20 30 EFEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(F)(F)F ZINC000451379902 477985286 /nfs/dbraw/zinc/98/52/86/477985286.db2.gz WGHJTIDCRXRTPA-SNVBAGLBSA-N -1 0 326.384 2.967 20 30 EFEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(F)(F)F ZINC000451379898 477985356 /nfs/dbraw/zinc/98/53/56/477985356.db2.gz WGHJTIDCRXRTPA-JTQLQIEISA-N -1 0 326.384 2.967 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC1CCC(CCCC)CC1)C(=O)[O-] ZINC000559579160 477992215 /nfs/dbraw/zinc/99/22/15/477992215.db2.gz NREHBMWBGQZAHK-NRXISQOPSA-N -1 0 326.437 2.690 20 30 EFEDRM CCC[C@@H](CCCCNS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000559797967 478000633 /nfs/dbraw/zinc/00/06/33/478000633.db2.gz VPWJUIKKFATLQI-AWEZNQCLSA-N -1 0 344.477 2.661 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439623181 478008520 /nfs/dbraw/zinc/00/85/20/478008520.db2.gz QOAUUJSMKNHFAE-UHFFFAOYSA-N -1 0 346.368 2.699 20 30 EFEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000421237475 478016646 /nfs/dbraw/zinc/01/66/46/478016646.db2.gz RINVZDXVPSKYFX-MRXNPFEDSA-N -1 0 344.436 2.866 20 30 EFEDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000421253930 478021003 /nfs/dbraw/zinc/02/10/03/478021003.db2.gz XUHBVWWYOJYBSJ-AWEZNQCLSA-N -1 0 347.440 2.909 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481415848 478026559 /nfs/dbraw/zinc/02/65/59/478026559.db2.gz XUGMBJSKPWVMJG-UHFFFAOYSA-N -1 0 335.820 2.952 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481958390 478026608 /nfs/dbraw/zinc/02/66/08/478026608.db2.gz JIWSAYYDPNKRFO-ZDUSSCGKSA-N -1 0 346.456 2.550 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C(F)F)n1 ZINC000533177032 478044884 /nfs/dbraw/zinc/04/48/84/478044884.db2.gz NEWPOIITQVGCRF-VIFPVBQESA-N -1 0 329.310 2.734 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(OC)c1OC ZINC000533196671 478046915 /nfs/dbraw/zinc/04/69/15/478046915.db2.gz DOFGTOKZJYQNLY-CYBMUJFWSA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(OC)c1OC ZINC000533196673 478047422 /nfs/dbraw/zinc/04/74/22/478047422.db2.gz DOFGTOKZJYQNLY-ZDUSSCGKSA-N -1 0 347.411 2.759 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440410377 478114828 /nfs/dbraw/zinc/11/48/28/478114828.db2.gz OTFLKWMHOZXHIU-AWEZNQCLSA-N -1 0 344.374 2.843 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2csc([C@@H]3CCCO3)n2)nc(C)n1 ZINC000534469775 478153762 /nfs/dbraw/zinc/15/37/62/478153762.db2.gz SYGZJAKZEYCHAA-FZMZJTMJSA-N -1 0 328.397 2.892 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc([N+](=O)[O-])c1 ZINC000429574057 478156639 /nfs/dbraw/zinc/15/66/39/478156639.db2.gz FBVPHYNRNOEQKY-ZDUSSCGKSA-N -1 0 335.323 2.973 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc([N+](=O)[O-])c1 ZINC000429574056 478157130 /nfs/dbraw/zinc/15/71/30/478157130.db2.gz FBVPHYNRNOEQKY-CYBMUJFWSA-N -1 0 335.323 2.973 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnn(-c4ccccc4)c3)nc1-2 ZINC000429602972 478162179 /nfs/dbraw/zinc/16/21/79/478162179.db2.gz ZSWQNCYKMGQMEX-OAHLLOKOSA-N -1 0 342.362 2.942 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnn(-c4ccccc4)c3)nc1-2 ZINC000429602971 478162724 /nfs/dbraw/zinc/16/27/24/478162724.db2.gz ZSWQNCYKMGQMEX-HNNXBMFYSA-N -1 0 342.362 2.942 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1C ZINC000440802723 478163802 /nfs/dbraw/zinc/16/38/02/478163802.db2.gz ARFUNAIZYQPJDJ-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000518664147 478182748 /nfs/dbraw/zinc/18/27/48/478182748.db2.gz BBZLBKYXCYWWBS-UHFFFAOYSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC000562434350 478249001 /nfs/dbraw/zinc/24/90/01/478249001.db2.gz OXLDZYKWJDRBSY-CQSZACIVSA-N -1 0 336.388 2.560 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC000562434349 478249054 /nfs/dbraw/zinc/24/90/54/478249054.db2.gz OXLDZYKWJDRBSY-AWEZNQCLSA-N -1 0 336.388 2.560 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N([C@@H](COC)C(=O)[O-])C2CC2)c1 ZINC000520325752 478296405 /nfs/dbraw/zinc/29/64/05/478296405.db2.gz YYQNWOFCHNOSSV-INIZCTEOSA-N -1 0 348.399 2.737 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)[n-]1 ZINC000570260665 478319439 /nfs/dbraw/zinc/31/94/39/478319439.db2.gz UMRYCQUXRGKKIY-KGLIPLIRSA-N -1 0 344.365 2.919 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCc2cccs2)c(F)c1 ZINC000537656551 478323740 /nfs/dbraw/zinc/32/37/40/478323740.db2.gz HAHUXYAGRWDZJG-UHFFFAOYSA-N -1 0 342.392 2.809 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000570293991 478331255 /nfs/dbraw/zinc/33/12/55/478331255.db2.gz QKXYLCBNNFDVPB-UHFFFAOYSA-N -1 0 325.430 2.636 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC000495810465 478337804 /nfs/dbraw/zinc/33/78/04/478337804.db2.gz OLAQUEKWDYWUND-UHFFFAOYSA-N -1 0 349.435 2.973 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1)C(=O)[O-] ZINC000579615987 478343083 /nfs/dbraw/zinc/34/30/83/478343083.db2.gz ZEYSHAMPZYRRHZ-AWEZNQCLSA-N -1 0 347.411 2.661 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000580409750 478361128 /nfs/dbraw/zinc/36/11/28/478361128.db2.gz LANOYYLKVLYCBS-HZPDHXFCSA-N -1 0 348.399 2.785 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3n[nH]c(=O)n3c2)s1 ZINC000580509110 478363714 /nfs/dbraw/zinc/36/37/14/478363714.db2.gz MIMKMZNJIBCPCA-SNVBAGLBSA-N -1 0 341.396 2.679 20 30 EFEDRM C=CCN=c1[n-]nc(SCCOCc2ccc(OC)cc2)s1 ZINC000594407044 478367449 /nfs/dbraw/zinc/36/74/49/478367449.db2.gz SONCUBPXCDOBLN-UHFFFAOYSA-N -1 0 337.470 2.875 20 30 EFEDRM CC1(C#N)CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000597487495 478374308 /nfs/dbraw/zinc/37/43/08/478374308.db2.gz VAIGDPOPFZSUSL-UHFFFAOYSA-N -1 0 344.802 2.997 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000490710019 478374456 /nfs/dbraw/zinc/37/44/56/478374456.db2.gz IGGBTZNQJXZLRE-AWEZNQCLSA-N -1 0 343.383 2.658 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[O-] ZINC000581235383 478376156 /nfs/dbraw/zinc/37/61/56/478376156.db2.gz JXRBVPHYWKSAFP-YESZJQIVSA-N -1 0 346.427 2.873 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000597492504 478376437 /nfs/dbraw/zinc/37/64/37/478376437.db2.gz AAXYHVIYSFTILW-QGZVFWFLSA-N -1 0 346.337 2.622 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3CC#N)cc2=O)cc1 ZINC000581336887 478377997 /nfs/dbraw/zinc/37/79/97/478377997.db2.gz KEPSAOWWCYWNSD-UHFFFAOYSA-N -1 0 332.363 2.792 20 30 EFEDRM C=CCC[C@H](NC(=O)N=c1nc2n([n-]1)CCCC2)c1ccccc1 ZINC000562926392 478382625 /nfs/dbraw/zinc/38/26/25/478382625.db2.gz HYNOIUXZDQOCAB-HNNXBMFYSA-N -1 0 325.416 2.865 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(n2)CCC3)cc1C#N ZINC000590883530 478382996 /nfs/dbraw/zinc/38/29/96/478382996.db2.gz KNQJSAGMIVNKIN-UHFFFAOYSA-N -1 0 326.381 2.517 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000524188084 478389804 /nfs/dbraw/zinc/38/98/04/478389804.db2.gz PMMVNVWKWOATNA-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000594463469 478399007 /nfs/dbraw/zinc/39/90/07/478399007.db2.gz PWVQUEYVLMLKRN-LLVKDONJSA-N -1 0 340.355 2.854 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000562974504 478399533 /nfs/dbraw/zinc/39/95/33/478399533.db2.gz LPTBJSILKYNCNC-GFCCVEGCSA-N -1 0 326.343 2.916 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)C(=O)[O-] ZINC000562974677 478399577 /nfs/dbraw/zinc/39/95/77/478399577.db2.gz TXSWMSNOFQDILP-UONOGXRCSA-N -1 0 336.363 2.758 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000594466372 478400889 /nfs/dbraw/zinc/40/08/89/478400889.db2.gz NRBBWOLMLOAWKD-CYBMUJFWSA-N -1 0 348.403 2.544 20 30 EFEDRM C[C@](CNC(=O)N1Cc2ccc(C#N)cc2C1)(C(=O)[O-])c1ccccc1 ZINC000594527261 478426303 /nfs/dbraw/zinc/42/63/03/478426303.db2.gz BWISGUHUERNSGH-HXUWFJFHSA-N -1 0 349.390 2.626 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000594537766 478429214 /nfs/dbraw/zinc/42/92/14/478429214.db2.gz LYIGSTFODNXNJF-YESZJQIVSA-N -1 0 343.427 2.825 20 30 EFEDRM Cn1cc(/C=C/c2cc(C(=O)[O-])ncn2)c(-c2ccc(C#N)cc2)n1 ZINC000539756878 478430062 /nfs/dbraw/zinc/43/00/62/478430062.db2.gz NKSGZSCIZXPBKZ-VOTSOKGWSA-N -1 0 331.335 2.617 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000570740170 478433966 /nfs/dbraw/zinc/43/39/66/478433966.db2.gz JFNBFJNAHRDNKB-CNAJZPKWSA-N -1 0 348.443 2.986 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC ZINC000600664772 478459286 /nfs/dbraw/zinc/45/92/86/478459286.db2.gz HNAARZAIUZTJGZ-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM Cc1nc(NCc2ccc(OCCCC(=O)[O-])cc2)ccc1C#N ZINC000600674189 478461871 /nfs/dbraw/zinc/46/18/71/478461871.db2.gz DVFALHTZJKJVJE-UHFFFAOYSA-N -1 0 325.368 2.539 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000581927811 478467986 /nfs/dbraw/zinc/46/79/86/478467986.db2.gz QLVFZLHPBRFIEE-UHFFFAOYSA-N -1 0 325.416 2.647 20 30 EFEDRM N#CCC1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000570898385 478470945 /nfs/dbraw/zinc/47/09/45/478470945.db2.gz BBFXRLBCOGQVRY-GFCCVEGCSA-N -1 0 332.347 2.903 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000591188266 478487227 /nfs/dbraw/zinc/48/72/27/478487227.db2.gz LICNVMZISPPBLG-UHFFFAOYSA-N -1 0 337.335 2.847 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CC1 ZINC000582001059 478487296 /nfs/dbraw/zinc/48/72/96/478487296.db2.gz UUYIDXJAJBUCRL-UHFFFAOYSA-N -1 0 329.805 2.687 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000563225860 478489024 /nfs/dbraw/zinc/48/90/24/478489024.db2.gz SETCCBZQQLSLCU-UHFFFAOYSA-N -1 0 326.418 2.775 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000594690610 478496349 /nfs/dbraw/zinc/49/63/49/478496349.db2.gz MBXOLTLCCZKHOM-CYBMUJFWSA-N -1 0 326.393 2.560 20 30 EFEDRM C=CCCSCCNC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000594691539 478496384 /nfs/dbraw/zinc/49/63/84/478496384.db2.gz VSRUYYHGWXOIRC-OAHLLOKOSA-N -1 0 334.441 2.689 20 30 EFEDRM CN(C(=O)NCCc1ccc(C#N)cc1)C1(C(=O)[O-])CCCCC1 ZINC000594691444 478496451 /nfs/dbraw/zinc/49/64/51/478496451.db2.gz STPMUNQXFRZSEV-UHFFFAOYSA-N -1 0 329.400 2.530 20 30 EFEDRM C=CCCSCCNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000594690706 478496854 /nfs/dbraw/zinc/49/68/54/478496854.db2.gz NMHUIMJAQVCHNX-CQSZACIVSA-N -1 0 336.457 2.981 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-] ZINC000594691180 478496926 /nfs/dbraw/zinc/49/69/26/478496926.db2.gz QVZAUNMPUDVFFS-OAHLLOKOSA-N -1 0 331.416 2.679 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1 ZINC000594694283 478500142 /nfs/dbraw/zinc/50/01/42/478500142.db2.gz IAKLWHHXEXTXHO-CYBMUJFWSA-N -1 0 348.428 2.775 20 30 EFEDRM CC(=Cc1ccc(O[C@@H]2CCOC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594697532 478501334 /nfs/dbraw/zinc/50/13/34/478501334.db2.gz XRAFFLHTAFOQFI-HMWXGYMHSA-N -1 0 337.379 2.678 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000591270270 478504097 /nfs/dbraw/zinc/50/40/97/478504097.db2.gz XNCDCRBNXBSPRX-GFCCVEGCSA-N -1 0 335.791 2.608 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1 ZINC000594725749 478516008 /nfs/dbraw/zinc/51/60/08/478516008.db2.gz JFIXVHBXLTTXFE-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@@H]1C(=O)[O-] ZINC000600802848 478526494 /nfs/dbraw/zinc/52/64/94/478526494.db2.gz VBKAJPRYMMRFFV-CABZTGNLSA-N -1 0 331.322 2.932 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000491386548 478531956 /nfs/dbraw/zinc/53/19/56/478531956.db2.gz VHTIRFGNVOJSPC-JTQLQIEISA-N -1 0 326.381 2.859 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000571159129 478532773 /nfs/dbraw/zinc/53/27/73/478532773.db2.gz KGIQRDHLHYWHIH-NEPJUHHUSA-N -1 0 348.453 2.576 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1)C(=O)[O-] ZINC000571164191 478534545 /nfs/dbraw/zinc/53/45/45/478534545.db2.gz MDIFAQXJDSWUDW-BBRMVZONSA-N -1 0 334.416 2.592 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000600873472 478547973 /nfs/dbraw/zinc/54/79/73/478547973.db2.gz LAVIHKZMHYXLQZ-ZWNOBZJWSA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCCSCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000594815115 478550042 /nfs/dbraw/zinc/55/00/42/478550042.db2.gz KIJSIZXSNCOBDH-UHFFFAOYSA-N -1 0 343.367 2.831 20 30 EFEDRM C#C[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000491461041 478554542 /nfs/dbraw/zinc/55/45/42/478554542.db2.gz CAVFYKGMNZBMPW-ZDUSSCGKSA-N -1 0 348.449 2.691 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000491483611 478562134 /nfs/dbraw/zinc/56/21/34/478562134.db2.gz CSGYOEHHQFTRNJ-UHFFFAOYSA-N -1 0 340.330 2.646 20 30 EFEDRM N#Cc1ccc(CCSc2n[n-]c(=NC[C@@H]3CCCO3)s2)cc1 ZINC000594881020 478571994 /nfs/dbraw/zinc/57/19/94/478571994.db2.gz ALLWTWFZZFNEGZ-AWEZNQCLSA-N -1 0 346.481 2.757 20 30 EFEDRM COC[C@@]1(C(=O)[O-])CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000591688978 478607552 /nfs/dbraw/zinc/60/75/52/478607552.db2.gz SEZIVIIRYAWCRH-OAHLLOKOSA-N -1 0 342.317 2.643 20 30 EFEDRM CC[C@H](NN=Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC000496275480 478642928 /nfs/dbraw/zinc/64/29/28/478642928.db2.gz OVSNTFYVENCJSM-AWEZNQCLSA-N -1 0 347.415 2.771 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCC1=NNCC(=O)[O-] ZINC000496291705 478644984 /nfs/dbraw/zinc/64/49/84/478644984.db2.gz GTGKWMWZAWWMSU-GXTWGEPZSA-N -1 0 339.436 2.606 20 30 EFEDRM CC[C@@H](NN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000496311291 478646569 /nfs/dbraw/zinc/64/65/69/478646569.db2.gz OCDHKHFCHRLYIP-QWHCGFSZSA-N -1 0 327.425 2.605 20 30 EFEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2ccc(C(=O)[O-])nc2)CCC1 ZINC000496320180 478646959 /nfs/dbraw/zinc/64/69/59/478646959.db2.gz FOIZZSAWGORDGH-UHFFFAOYSA-N -1 0 348.403 2.873 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000496321115 478647711 /nfs/dbraw/zinc/64/77/11/478647711.db2.gz FHHZORCTBJINSI-OAHLLOKOSA-N -1 0 334.416 2.746 20 30 EFEDRM CCc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1C1CCCC1 ZINC000571673846 478651226 /nfs/dbraw/zinc/65/12/26/478651226.db2.gz JJIXRUNWXMLNPJ-UHFFFAOYSA-N -1 0 338.415 2.707 20 30 EFEDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000496403991 478655820 /nfs/dbraw/zinc/65/58/20/478655820.db2.gz BTMVOIKBEJKTEV-UHFFFAOYSA-N -1 0 337.382 2.599 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=NNCC(=O)[O-] ZINC000496425747 478657410 /nfs/dbraw/zinc/65/74/10/478657410.db2.gz SIPQCFVBRKXPRV-OCCSQVGLSA-N -1 0 339.436 2.606 20 30 EFEDRM N#CCCC1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000563888915 478657884 /nfs/dbraw/zinc/65/78/84/478657884.db2.gz IHIJRSVHNKWJBR-UHFFFAOYSA-N -1 0 342.374 2.873 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OC/C=C\Cl)CCCN1C(=O)OC(C)(C)C ZINC000496467989 478661141 /nfs/dbraw/zinc/66/11/41/478661141.db2.gz BZFHAZKNBMZUBL-BJIFSAINSA-N -1 0 342.823 2.580 20 30 EFEDRM CC(=NN=c1ccc(C(F)(F)F)n[n-]1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496561872 478670158 /nfs/dbraw/zinc/67/01/58/478670158.db2.gz KHYOKFDZWZHWPF-MRVPVSSYSA-N -1 0 347.341 2.618 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000491772555 478671122 /nfs/dbraw/zinc/67/11/22/478671122.db2.gz QVOKQTIHQZAOCM-UHFFFAOYSA-N -1 0 329.327 2.955 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)nc1 ZINC000496611202 478675424 /nfs/dbraw/zinc/67/54/24/478675424.db2.gz WVJFODNKOAVVMZ-LBPRGKRZSA-N -1 0 339.355 2.709 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC(CC#N)CC2)n1 ZINC000542905665 478704820 /nfs/dbraw/zinc/70/48/20/478704820.db2.gz XGSQKVDKICWXED-UHFFFAOYSA-N -1 0 342.374 2.791 20 30 EFEDRM Cc1ccc(Sc2nc(=NC(=O)NCC3(C#N)CC3)s[n-]2)cc1 ZINC000564429107 478741585 /nfs/dbraw/zinc/74/15/85/478741585.db2.gz JEXMIYCRUFJKLN-UHFFFAOYSA-N -1 0 345.453 2.845 20 30 EFEDRM N#CCC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000583011862 478742319 /nfs/dbraw/zinc/74/23/19/478742319.db2.gz RXUWVUJJPINSDN-GOEBONIOSA-N -1 0 329.400 2.928 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]c1C1CC1 ZINC000572069171 478742395 /nfs/dbraw/zinc/74/23/95/478742395.db2.gz QSTOKYPSNXTEOZ-UHFFFAOYSA-N -1 0 328.353 2.706 20 30 EFEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2o1 ZINC000572095135 478748738 /nfs/dbraw/zinc/74/87/38/478748738.db2.gz NNWOQKFDZPLMDJ-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCC(CCC#N)CC3)cc2=O)cc1 ZINC000572123410 478758971 /nfs/dbraw/zinc/75/89/71/478758971.db2.gz LFFSLWXHUPIHJE-UHFFFAOYSA-N -1 0 338.411 2.630 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000564570702 478762053 /nfs/dbraw/zinc/76/20/53/478762053.db2.gz AOTUAGJKCLKZCP-IAQYHMDHSA-N -1 0 339.775 2.723 20 30 EFEDRM CC[C@H](C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000583206414 478791768 /nfs/dbraw/zinc/79/17/68/478791768.db2.gz MTJNGBJKIZFNBU-SWLSCSKDSA-N -1 0 334.441 2.797 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000583241536 478798477 /nfs/dbraw/zinc/79/84/77/478798477.db2.gz XESZCVSCDNKDKK-HNNXBMFYSA-N -1 0 345.399 2.829 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000564831143 478825609 /nfs/dbraw/zinc/82/56/09/478825609.db2.gz FWWWSGBEHJCBQK-JTQLQIEISA-N -1 0 327.413 2.934 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CCC)CC(=O)[O-])cc1OC ZINC000492116638 478831857 /nfs/dbraw/zinc/83/18/57/478831857.db2.gz HOXYJSQNVMRKPG-CLFYSBASSA-N -1 0 333.384 2.596 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000564919735 478861148 /nfs/dbraw/zinc/86/11/48/478861148.db2.gz OTIXBWKTCQSFJM-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C)C(C)C ZINC000592351433 478864650 /nfs/dbraw/zinc/86/46/50/478864650.db2.gz VHNUXXBUKJQTBN-INIZCTEOSA-N -1 0 340.445 2.758 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1)C(C)C ZINC000592384372 478876790 /nfs/dbraw/zinc/87/67/90/478876790.db2.gz XBLKRFRVRROKNX-OAHLLOKOSA-N -1 0 333.413 2.519 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399919 478884938 /nfs/dbraw/zinc/88/49/38/478884938.db2.gz YLMSVQDWBHAFEI-GFCCVEGCSA-N -1 0 327.365 2.692 20 30 EFEDRM C=CCC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCOCC1 ZINC000565032531 478891387 /nfs/dbraw/zinc/89/13/87/478891387.db2.gz FSMBEKHADARFTI-FQEVSTJZSA-N -1 0 343.423 2.614 20 30 EFEDRM Cc1nc(=NC(=O)C=Cc2cn(CCC#N)c3ccccc23)s[n-]1 ZINC000492268678 478901544 /nfs/dbraw/zinc/90/15/44/478901544.db2.gz FNQKNMVSPRMKDE-BQYQJAHWSA-N -1 0 337.408 2.789 20 30 EFEDRM CC(C)c1nc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1 ZINC000583674764 478911565 /nfs/dbraw/zinc/91/15/65/478911565.db2.gz KMMVMBRCVGLADA-UHFFFAOYSA-N -1 0 340.792 2.713 20 30 EFEDRM CCC[C@H](C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000583686515 478916465 /nfs/dbraw/zinc/91/64/65/478916465.db2.gz HDTZZSZDVCPVRM-MRVPVSSYSA-N -1 0 340.298 2.695 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1C ZINC000545294125 478918065 /nfs/dbraw/zinc/91/80/65/478918065.db2.gz WAVLSWOVWLEIIE-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000492342128 478940422 /nfs/dbraw/zinc/94/04/22/478940422.db2.gz JZQWMTIOGPBASS-KHPPLWFESA-N -1 0 335.425 2.653 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2nccc3ccccc32)CC1 ZINC000601736236 478976580 /nfs/dbraw/zinc/97/65/80/478976580.db2.gz FVAUGDXELOUARM-UHFFFAOYSA-N -1 0 343.390 2.799 20 30 EFEDRM C[C@@H](CSc1ccccc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000601737253 478977932 /nfs/dbraw/zinc/97/79/32/478977932.db2.gz MUWRCIOGKBGMKT-NSHDSACASA-N -1 0 326.425 2.948 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000573065591 478981055 /nfs/dbraw/zinc/98/10/55/478981055.db2.gz MWFHAEADBNQGLM-YOEHRIQHSA-N -1 0 348.443 2.696 20 30 EFEDRM CC(C)(C#N)C[C@@H](O)CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000598704515 478981190 /nfs/dbraw/zinc/98/11/90/478981190.db2.gz QSNPCSOFMXCHEJ-CYBMUJFWSA-N -1 0 348.497 2.965 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000583972522 478981236 /nfs/dbraw/zinc/98/12/36/478981236.db2.gz FZPNXEWFJWFIAT-NSHDSACASA-N -1 0 344.820 2.839 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000492436204 478987398 /nfs/dbraw/zinc/98/73/98/478987398.db2.gz GGNZCOUVIYTQEE-HJWRWDBZSA-N -1 0 332.425 2.538 20 30 EFEDRM CNc1ccc(C(F)(F)F)cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000598733702 478995178 /nfs/dbraw/zinc/99/51/78/478995178.db2.gz BXTYTSCSGNPMAZ-UHFFFAOYSA-N -1 0 349.316 2.893 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000601794541 479007809 /nfs/dbraw/zinc/00/78/09/479007809.db2.gz AUSKVMCIJHZFLQ-CYBMUJFWSA-N -1 0 344.440 2.868 20 30 EFEDRM C=CCC[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1C)C(=O)[O-] ZINC000573195456 479011265 /nfs/dbraw/zinc/01/12/65/479011265.db2.gz MHMRWKHJKLTBMF-INIZCTEOSA-N -1 0 341.411 2.697 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc2c(c1C#N)CCC2 ZINC000584109391 479016738 /nfs/dbraw/zinc/01/67/38/479016738.db2.gz VIFGBPPPDHUWRK-UHFFFAOYSA-N -1 0 337.408 2.789 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000492992265 479029082 /nfs/dbraw/zinc/02/90/82/479029082.db2.gz QGOJNSNUBUGKBX-RSPDNQDQSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/SCc2ccco2)CC1 ZINC000493006497 479029931 /nfs/dbraw/zinc/02/99/31/479029931.db2.gz PIRFPBZUEGBZDJ-BJMVGYQFSA-N -1 0 327.427 2.581 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000492996980 479030215 /nfs/dbraw/zinc/03/02/15/479030215.db2.gz WHPZRLWQYBYEAB-MARXPDLDSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1OC ZINC000493220407 479040144 /nfs/dbraw/zinc/04/01/44/479040144.db2.gz JURLVSWXRIXFSZ-HAANDJBQSA-N -1 0 345.395 2.595 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1OC ZINC000493220410 479040310 /nfs/dbraw/zinc/04/03/10/479040310.db2.gz JURLVSWXRIXFSZ-HYWNAFCQSA-N -1 0 345.395 2.595 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C2CC2)cc1 ZINC000493266494 479041770 /nfs/dbraw/zinc/04/17/70/479041770.db2.gz NPCHDCTYLSIZHK-YHYXMXQVSA-N -1 0 332.425 2.573 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 ZINC000493340992 479045197 /nfs/dbraw/zinc/04/51/97/479045197.db2.gz WAJREPHGBNUYRN-XQRVVYSFSA-N -1 0 330.409 2.736 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000514716229 479052661 /nfs/dbraw/zinc/05/26/61/479052661.db2.gz IVUSVOMLKSFSSO-PVAVHDDUSA-N -1 0 346.427 2.710 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccccc1OC(F)F)C(=O)[O-] ZINC000493518250 479054711 /nfs/dbraw/zinc/05/47/11/479054711.db2.gz KVOUCKZLNVODAJ-BZYZDCJZSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000565987091 479082730 /nfs/dbraw/zinc/08/27/30/479082730.db2.gz KKMAHZCRBKBEBG-LBPRGKRZSA-N -1 0 345.848 2.911 20 30 EFEDRM Cc1cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000595973862 479086172 /nfs/dbraw/zinc/08/61/72/479086172.db2.gz QOXGTNYPMIWCSG-TZMCWYRMSA-N -1 0 334.379 2.825 20 30 EFEDRM Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CCC#N ZINC000601946189 479086786 /nfs/dbraw/zinc/08/67/86/479086786.db2.gz OAVWAMZUIYLKDQ-IUODEOHRSA-N -1 0 327.384 2.874 20 30 EFEDRM C=CCCCS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccsc1 ZINC000584327628 479092035 /nfs/dbraw/zinc/09/20/35/479092035.db2.gz BDWVOVXQNATRMQ-RYUDHWBXSA-N -1 0 347.483 2.545 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(Cl)cc1OCC)C(=O)[O-] ZINC000573564562 479093789 /nfs/dbraw/zinc/09/37/89/479093789.db2.gz YIIWDEGHWHBGJT-CYBMUJFWSA-N -1 0 340.807 2.957 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000515001347 479103381 /nfs/dbraw/zinc/10/33/81/479103381.db2.gz FRMIBKYCUDQBFL-CQSZACIVSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000493661498 479103804 /nfs/dbraw/zinc/10/38/04/479103804.db2.gz VXUPPAVIYXNLMA-OJWNKBRNSA-N -1 0 335.425 2.971 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1C ZINC000596040724 479103834 /nfs/dbraw/zinc/10/38/34/479103834.db2.gz DTFJAWSZAKRDFD-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000601985178 479111659 /nfs/dbraw/zinc/11/16/59/479111659.db2.gz XULGXSYIHCHUPJ-ZJUUUORDSA-N -1 0 328.246 2.506 20 30 EFEDRM C=CCCSCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000601991561 479119360 /nfs/dbraw/zinc/11/93/60/479119360.db2.gz IIQXKKIYQGUQRZ-KRWDZBQOSA-N -1 0 339.432 2.984 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)co1 ZINC000547807048 479120079 /nfs/dbraw/zinc/12/00/79/479120079.db2.gz XSTOTOQUSURINA-SECBINFHSA-N -1 0 325.246 2.725 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2C1 ZINC000601995111 479121241 /nfs/dbraw/zinc/12/12/41/479121241.db2.gz SIDIKEMXQORGCB-ZJUUUORDSA-N -1 0 336.413 2.563 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2C1 ZINC000601995108 479121892 /nfs/dbraw/zinc/12/18/92/479121892.db2.gz SIDIKEMXQORGCB-NXEZZACHSA-N -1 0 336.413 2.563 20 30 EFEDRM CSc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1CCC#N ZINC000548042322 479123350 /nfs/dbraw/zinc/12/33/50/479123350.db2.gz FEWRYMDWWAJULN-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM C=CCOCCSc1n[n-]c(=NCCc2cccs2)s1 ZINC000568367979 479123991 /nfs/dbraw/zinc/12/39/91/479123991.db2.gz DQINFXOACKECJI-UHFFFAOYSA-N -1 0 327.500 2.971 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CC3)cc2)n1 ZINC000568357524 479124010 /nfs/dbraw/zinc/12/40/10/479124010.db2.gz QRZYSNRWQLEKRS-CQSZACIVSA-N -1 0 346.433 2.878 20 30 EFEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000548303292 479125115 /nfs/dbraw/zinc/12/51/15/479125115.db2.gz KKHJOZYFRXTKRG-GFCCVEGCSA-N -1 0 340.412 2.559 20 30 EFEDRM C=CCSCCNC(=O)C[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000602001702 479128528 /nfs/dbraw/zinc/12/85/28/479128528.db2.gz CSYXKLMSTHEMOG-SFHVURJKSA-N -1 0 333.453 2.771 20 30 EFEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000602003796 479129939 /nfs/dbraw/zinc/12/99/39/479129939.db2.gz WYMQYPCKDIPEGU-JRPNMDOOSA-N -1 0 332.425 2.647 20 30 EFEDRM C[C@H](S[C@@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC000602003799 479130439 /nfs/dbraw/zinc/13/04/39/479130439.db2.gz WYMQYPCKDIPEGU-ZIBATOQPSA-N -1 0 332.425 2.647 20 30 EFEDRM C=C(C)CS(=O)(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000569117455 479135818 /nfs/dbraw/zinc/13/58/18/479135818.db2.gz IPDLLIGCSYGKNY-UHFFFAOYSA-N -1 0 337.441 2.545 20 30 EFEDRM CC(C)(CC#N)CS(=O)(=O)NCc1ncc(-c2ccccc2)o1 ZINC000573792184 479143942 /nfs/dbraw/zinc/14/39/42/479143942.db2.gz RFTCOLFFENGLEC-UHFFFAOYSA-N -1 0 333.413 2.701 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1O ZINC000573881336 479164951 /nfs/dbraw/zinc/16/49/51/479164951.db2.gz PLEHHUROTOHGSK-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000610725238 479168545 /nfs/dbraw/zinc/16/85/45/479168545.db2.gz PHRJMLZABYPZJT-UHFFFAOYSA-N -1 0 335.454 2.925 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C)C(=O)[O-] ZINC000556708994 479179900 /nfs/dbraw/zinc/17/99/00/479179900.db2.gz KFMAYPGTOZXCHY-HZSPNIEDSA-N -1 0 326.437 2.546 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000556708186 479179980 /nfs/dbraw/zinc/17/99/80/479179980.db2.gz AOHDSBOCDYNBDV-AWEZNQCLSA-N -1 0 332.356 2.827 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000556709690 479180893 /nfs/dbraw/zinc/18/08/93/479180893.db2.gz UXEDOVVVZTXIGG-ULQDDVLXSA-N -1 0 346.427 2.710 20 30 EFEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000610783273 479186941 /nfs/dbraw/zinc/18/69/41/479186941.db2.gz CJXGSWGLIHDOFA-UHFFFAOYSA-N -1 0 338.392 2.805 20 30 EFEDRM N#Cc1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])cc1 ZINC000610796140 479190640 /nfs/dbraw/zinc/19/06/40/479190640.db2.gz TWMUMRLIAAXJPG-KTKRTIGZSA-N -1 0 331.331 2.523 20 30 EFEDRM N#Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])c1 ZINC000610796132 479191505 /nfs/dbraw/zinc/19/15/05/479191505.db2.gz QNKLPVGLPAHNRM-CMDGGOBGSA-N -1 0 331.331 2.523 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC)[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000569881684 479199444 /nfs/dbraw/zinc/19/94/44/479199444.db2.gz YZOWJIOQSAJGBO-CQSZACIVSA-N -1 0 347.383 2.708 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000569928436 479211781 /nfs/dbraw/zinc/21/17/81/479211781.db2.gz OJZAEUVPIONRNP-ZDUSSCGKSA-N -1 0 342.342 2.549 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)[n-]1 ZINC000610902040 479227927 /nfs/dbraw/zinc/22/79/27/479227927.db2.gz RWHQODDZWZUISW-OAHLLOKOSA-N -1 0 345.353 2.751 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)[n-]1 ZINC000610902039 479228066 /nfs/dbraw/zinc/22/80/66/479228066.db2.gz RWHQODDZWZUISW-HNNXBMFYSA-N -1 0 345.353 2.751 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603081869 479237208 /nfs/dbraw/zinc/23/72/08/479237208.db2.gz QZLMHJIJFLZRMF-MRVPVSSYSA-N -1 0 337.355 2.529 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603081870 479237703 /nfs/dbraw/zinc/23/77/03/479237703.db2.gz QZLMHJIJFLZRMF-QMMMGPOBSA-N -1 0 337.355 2.529 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C(F)F ZINC000584814704 479248541 /nfs/dbraw/zinc/24/85/41/479248541.db2.gz CDUGRKALBFZDIK-VIFPVBQESA-N -1 0 327.294 2.791 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000574253468 479248650 /nfs/dbraw/zinc/24/86/50/479248650.db2.gz DLPVLWWEIODUOV-KBPBESRZSA-N -1 0 336.363 2.758 20 30 EFEDRM Cc1n[n-]c(=NC(=O)c2ccc(C#Cc3ccccc3)cc2)n1C1CC1 ZINC000557204507 479266634 /nfs/dbraw/zinc/26/66/34/479266634.db2.gz BGYFAKDAQKRSJQ-UHFFFAOYSA-N -1 0 342.402 2.995 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]c1C(F)(F)F ZINC000611101829 479282540 /nfs/dbraw/zinc/28/25/40/479282540.db2.gz BKDKOCQHTWLOEY-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000603162628 479285476 /nfs/dbraw/zinc/28/54/76/479285476.db2.gz FKLXOYZXZKPITE-GXFFZTMASA-N -1 0 343.412 2.566 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)N=c1[n-]nc([C@@H]2CCCO2)s1 ZINC000603164882 479286101 /nfs/dbraw/zinc/28/61/01/479286101.db2.gz LETODRGTUMVWCR-LBPRGKRZSA-N -1 0 337.449 2.605 20 30 EFEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cnco3)s2)cc1 ZINC000611146520 479294149 /nfs/dbraw/zinc/29/41/49/479294149.db2.gz JKUWYLXLLWBDLF-UHFFFAOYSA-N -1 0 343.393 2.942 20 30 EFEDRM C=CC[C@@H]1N(C(=O)N=c2nc3nc(C)cc(C)n3[n-]2)CCCC1(C)C ZINC000574592475 479314067 /nfs/dbraw/zinc/31/40/67/479314067.db2.gz KCWWBUCFGRAXRD-AWEZNQCLSA-N -1 0 342.447 2.762 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1ccc(C(F)(F)F)cn1 ZINC000574627835 479319110 /nfs/dbraw/zinc/31/91/10/479319110.db2.gz IBMYWSPYIUMUIL-SNVBAGLBSA-N -1 0 336.273 2.569 20 30 EFEDRM N#Cc1cc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])ccc1F ZINC000611290492 479339432 /nfs/dbraw/zinc/33/94/32/479339432.db2.gz UNKRBJJKSLRHQI-VURMDHGXSA-N -1 0 349.321 2.662 20 30 EFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000574760575 479344068 /nfs/dbraw/zinc/34/40/68/479344068.db2.gz WAWYGKVSXNVAMN-UHFFFAOYSA-N -1 0 330.431 2.525 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)c1cc(C#N)ccc1Cl ZINC000586759113 479346144 /nfs/dbraw/zinc/34/61/44/479346144.db2.gz PRIMIHVTKNGGAB-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)nn1CCC#N ZINC000603419330 479380530 /nfs/dbraw/zinc/38/05/30/479380530.db2.gz LYRSCWUHPLWLDH-GJZGRUSLSA-N -1 0 348.403 2.542 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)[n-]1 ZINC000588259841 479411591 /nfs/dbraw/zinc/41/15/91/479411591.db2.gz NNDIQEURFKGJRD-GVDBMIGSSA-N -1 0 335.411 2.514 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000596824333 479441773 /nfs/dbraw/zinc/44/17/73/479441773.db2.gz VKZKIDFGKGJSPK-LLVKDONJSA-N -1 0 332.791 2.853 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncnc3ccc([N+](=O)[O-])cc32)s1 ZINC000611699976 479448596 /nfs/dbraw/zinc/44/85/96/479448596.db2.gz LLSYPFAEXJPOGJ-UHFFFAOYSA-N -1 0 346.397 2.561 20 30 EFEDRM N#Cc1cncnc1Sc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000589105222 479478158 /nfs/dbraw/zinc/47/81/58/479478158.db2.gz AEGRXJNJWBBDNX-UHFFFAOYSA-N -1 0 344.400 2.524 20 30 EFEDRM CC(C)(C#N)c1ccc(CN=c2[n-]c(Cc3ccncc3)no2)cc1 ZINC000593946246 479514751 /nfs/dbraw/zinc/51/47/51/479514751.db2.gz AHJPTPUBQOPPOK-UHFFFAOYSA-N -1 0 333.395 2.891 20 30 EFEDRM Cn1nccc1S(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000589428625 479522553 /nfs/dbraw/zinc/52/25/53/479522553.db2.gz HYXHDIKVAZZXIT-UHFFFAOYSA-N -1 0 343.433 2.682 20 30 EFEDRM N#Cc1c(F)cccc1/C=C\c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000589555266 479539754 /nfs/dbraw/zinc/53/97/54/479539754.db2.gz NEBPIAALGDAZBH-HJWRWDBZSA-N -1 0 349.321 2.662 20 30 EFEDRM N#CC1(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CCCCC1 ZINC000597034580 479543419 /nfs/dbraw/zinc/54/34/19/479543419.db2.gz PRCHIKQPVAJWAH-UHFFFAOYSA-N -1 0 346.337 2.812 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000589594281 479544175 /nfs/dbraw/zinc/54/41/75/479544175.db2.gz CUAVLCWMSIQVBF-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597073980 479557561 /nfs/dbraw/zinc/55/75/61/479557561.db2.gz LXCFKSCHCOBFMT-LBPRGKRZSA-N -1 0 332.791 2.899 20 30 EFEDRM CC(C)CCOc1ccc(=NC(=O)NCc2cccc(C#N)c2)[n-]n1 ZINC000597084290 479563083 /nfs/dbraw/zinc/56/30/83/479563083.db2.gz RFHLDTPCAHWUNC-UHFFFAOYSA-N -1 0 339.399 2.517 20 30 EFEDRM CC(C)CCOc1ccc(=NC(=O)NCC2CCC(C#N)CC2)[n-]n1 ZINC000597085085 479563304 /nfs/dbraw/zinc/56/33/04/479563304.db2.gz BUQAXBBWLGDOSP-UHFFFAOYSA-N -1 0 345.447 2.775 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000618750661 479579851 /nfs/dbraw/zinc/57/98/51/479579851.db2.gz GQXXLZPVFUWKFV-JTQLQIEISA-N -1 0 335.339 2.578 20 30 EFEDRM COc1ccc2c(c1)onc2[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589977865 479588302 /nfs/dbraw/zinc/58/83/02/479588302.db2.gz GLQUUSOQDVICLV-UHFFFAOYSA-N -1 0 343.364 2.703 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CC1 ZINC000577690487 479595089 /nfs/dbraw/zinc/59/50/89/479595089.db2.gz VZIRGYBQXNPVEL-UHFFFAOYSA-N -1 0 333.804 2.706 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000577748910 479597054 /nfs/dbraw/zinc/59/70/54/479597054.db2.gz YPODJFKKKZOKDV-MRVPVSSYSA-N -1 0 337.319 2.647 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000578492692 479606719 /nfs/dbraw/zinc/60/67/19/479606719.db2.gz VHZMJJBDXQDXNF-AWEZNQCLSA-N -1 0 333.363 2.568 20 30 EFEDRM C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCc2ccc(Cl)cc21 ZINC000602889153 479613494 /nfs/dbraw/zinc/61/34/94/479613494.db2.gz XJXCONRFSWEMOQ-NSHDSACASA-N -1 0 343.818 2.561 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000578949358 479635560 /nfs/dbraw/zinc/63/55/60/479635560.db2.gz SHRJZQIVBLNCHP-DZGCQCFKSA-N -1 0 332.400 2.646 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000590399990 479639129 /nfs/dbraw/zinc/63/91/29/479639129.db2.gz NXTYDUWIAKQKSY-UHFFFAOYSA-N -1 0 334.335 2.671 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612367518 479656226 /nfs/dbraw/zinc/65/62/26/479656226.db2.gz HGAKTQFXBZFOAA-QGZVFWFLSA-N -1 0 349.456 2.604 20 30 EFEDRM COC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000615450923 479675512 /nfs/dbraw/zinc/67/55/12/479675512.db2.gz YJQAMYGNQDYDJU-UHFFFAOYSA-N -1 0 330.727 2.956 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621564295 479698945 /nfs/dbraw/zinc/69/89/45/479698945.db2.gz CMBQFLPMVHZRQW-UHFFFAOYSA-N -1 0 329.299 2.908 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000612775423 479757462 /nfs/dbraw/zinc/75/74/62/479757462.db2.gz ZHPQVVHQMZVASW-HNNXBMFYSA-N -1 0 331.331 2.906 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@@](F)(C#N)C2)s1 ZINC000619336063 479762647 /nfs/dbraw/zinc/76/26/47/479762647.db2.gz NSXWIBGIWQLFRU-OAHLLOKOSA-N -1 0 349.366 2.544 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619461837 479799987 /nfs/dbraw/zinc/79/99/87/479799987.db2.gz RBCGFCQIPDIAST-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461199 479800028 /nfs/dbraw/zinc/80/00/28/479800028.db2.gz TZFBNEMMXVJUAC-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461921 479800052 /nfs/dbraw/zinc/80/00/52/479800052.db2.gz DJGWGRWATTYQOB-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)s1 ZINC000619547004 479824236 /nfs/dbraw/zinc/82/42/36/479824236.db2.gz IZCSXYJWKZKHAA-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM N#CC1(CNC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000619565116 479829584 /nfs/dbraw/zinc/82/95/84/479829584.db2.gz DWDYSFCKGRCYBL-UHFFFAOYSA-N -1 0 329.581 2.842 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1O ZINC000612997844 479832297 /nfs/dbraw/zinc/83/22/97/479832297.db2.gz LLHOUOHUALNJPS-UHFFFAOYSA-N -1 0 338.335 2.960 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nc(C3CC3)nc3[nH]ccc32)s1 ZINC000631039134 479850714 /nfs/dbraw/zinc/85/07/14/479850714.db2.gz CTTCFXZAFRTHMT-UHFFFAOYSA-N -1 0 330.442 2.858 20 30 EFEDRM C=C[C@H](Sc1n[n-]c(=Nc2cccc(F)c2)s1)C(=O)OC ZINC000619688299 479856692 /nfs/dbraw/zinc/85/66/92/479856692.db2.gz BRNOMEODHKSBNA-JTQLQIEISA-N -1 0 325.390 2.662 20 30 EFEDRM C=C[C@@H](Sc1n[n-]c(=Nc2ccccc2OC)s1)C(=O)OC ZINC000619686368 479856794 /nfs/dbraw/zinc/85/67/94/479856794.db2.gz CKLDSCJAMQBIQU-LLVKDONJSA-N -1 0 337.426 2.532 20 30 EFEDRM C=C[C@@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)C(=O)OC ZINC000619688573 479857052 /nfs/dbraw/zinc/85/70/52/479857052.db2.gz WFXVNQRZCBTKIJ-LLVKDONJSA-N -1 0 339.417 2.531 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)CC(C)(C)C(=O)[O-])c(C#N)c1C ZINC000609677028 480196630 /nfs/dbraw/zinc/19/66/30/480196630.db2.gz MHCHBODFYCLPCP-UHFFFAOYSA-N -1 0 338.385 2.544 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000629334255 480222139 /nfs/dbraw/zinc/22/21/39/480222139.db2.gz MPXAYWVYKVRPRX-JTQLQIEISA-N -1 0 329.805 2.625 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc(OC)c1 ZINC000610056508 480232654 /nfs/dbraw/zinc/23/26/54/480232654.db2.gz VTCPHGOOHOEJCA-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610338967 480282986 /nfs/dbraw/zinc/28/29/86/480282986.db2.gz YTYFUSDPPAMMMV-SNVBAGLBSA-N -1 0 349.343 2.645 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H](C)COC ZINC000617583784 480289164 /nfs/dbraw/zinc/28/91/64/480289164.db2.gz PBTKRHCRJYGTCL-LBPRGKRZSA-N -1 0 349.818 2.894 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(N)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000614386451 480291892 /nfs/dbraw/zinc/29/18/92/480291892.db2.gz RMQZAXGYMNTMCP-LBPRGKRZSA-N -1 0 336.376 2.727 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(N)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000614386449 480292585 /nfs/dbraw/zinc/29/25/85/480292585.db2.gz RMQZAXGYMNTMCP-GFCCVEGCSA-N -1 0 336.376 2.727 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(N)=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000614388901 480292666 /nfs/dbraw/zinc/29/26/66/480292666.db2.gz ZXIDZBLRWOSIAE-VIFPVBQESA-N -1 0 344.783 2.867 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)[n-]1 ZINC000614430784 480304496 /nfs/dbraw/zinc/30/44/96/480304496.db2.gz APNNFXGKRREMKC-KZNAEPCWSA-N -1 0 349.438 2.904 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2cc(F)ccc2s1 ZINC000626333101 480316013 /nfs/dbraw/zinc/31/60/13/480316013.db2.gz YMBBFLANUIEFOM-SNVBAGLBSA-N -1 0 327.344 2.852 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N(Cc2ccco2)Cc2ccccc2)[n-]1 ZINC000610560566 480337226 /nfs/dbraw/zinc/33/72/26/480337226.db2.gz GCDFCCNRPHTYJW-UHFFFAOYSA-N -1 0 335.367 2.541 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000610561052 480337540 /nfs/dbraw/zinc/33/75/40/480337540.db2.gz OOEXHIYRPBZNOW-UHFFFAOYSA-N -1 0 349.316 2.543 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000610562493 480337921 /nfs/dbraw/zinc/33/79/21/480337921.db2.gz VVTJMGIOZACPMW-VIFPVBQESA-N -1 0 337.305 2.615 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2CCC(c3ccccc3)CC2)[n-]1 ZINC000610563198 480337974 /nfs/dbraw/zinc/33/79/74/480337974.db2.gz WAZDWMOHWIQARC-UHFFFAOYSA-N -1 0 337.427 2.809 20 30 EFEDRM CC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000610564510 480338593 /nfs/dbraw/zinc/33/85/93/480338593.db2.gz REFZRWXAHYLKNC-YOEHRIQHSA-N -1 0 337.427 2.761 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000617787152 480362119 /nfs/dbraw/zinc/36/21/19/480362119.db2.gz IGMIOYVRTVJHFE-GFCCVEGCSA-N -1 0 340.420 2.626 20 30 EFEDRM C=CCOCCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000634846366 480576963 /nfs/dbraw/zinc/57/69/63/480576963.db2.gz GXBAERVVVVFECR-LJQANCHMSA-N -1 0 333.428 2.861 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000634853266 480582133 /nfs/dbraw/zinc/58/21/33/480582133.db2.gz JVAXNXHADVNSTA-NXEZZACHSA-N -1 0 331.821 2.794 20 30 EFEDRM C=C(CNC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1)c1ccccc1 ZINC000640729005 480594138 /nfs/dbraw/zinc/59/41/38/480594138.db2.gz HSTHOTBQJXBPDA-ZDUSSCGKSA-N -1 0 330.413 2.646 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630182295 480596091 /nfs/dbraw/zinc/59/60/91/480596091.db2.gz NFPXMSAVFKSTBY-SUMWQHHRSA-N -1 0 326.396 2.949 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000634895871 480613655 /nfs/dbraw/zinc/61/36/55/480613655.db2.gz PCZLHQWKBOUTAY-IRXDYDNUSA-N -1 0 329.396 2.877 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000634895869 480613758 /nfs/dbraw/zinc/61/37/58/480613758.db2.gz PCZLHQWKBOUTAY-DLBZAZTESA-N -1 0 329.396 2.877 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000634895872 480614138 /nfs/dbraw/zinc/61/41/38/480614138.db2.gz PCZLHQWKBOUTAY-SJORKVTESA-N -1 0 329.396 2.877 20 30 EFEDRM C=CCN(C(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1)[C@@H](C)COC ZINC000634928906 480641633 /nfs/dbraw/zinc/64/16/33/480641633.db2.gz AGPZRCSZNAAMKV-UGSOOPFHSA-N -1 0 337.391 2.608 20 30 EFEDRM C=CCN(C(=O)[C@](C)(CC(=O)[O-])c1ccsc1)[C@H](C)COC ZINC000634929880 480642512 /nfs/dbraw/zinc/64/25/12/480642512.db2.gz UHMUAKVVSYECIC-MLGOLLRUSA-N -1 0 325.430 2.530 20 30 EFEDRM C=C(C)CNC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000630290110 480656126 /nfs/dbraw/zinc/65/61/26/480656126.db2.gz WIORNJHCYPVRDA-UHFFFAOYSA-N -1 0 341.411 2.812 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630302675 480662214 /nfs/dbraw/zinc/66/22/14/480662214.db2.gz HAXZPGYEPZUEJY-IOASZLSFSA-N -1 0 349.452 2.963 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC000630318298 480668595 /nfs/dbraw/zinc/66/85/95/480668595.db2.gz GQQZWHBIPNQMFB-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCc1c(C)nn(CC(C)C)c1C)C(=O)[O-] ZINC000630319039 480668848 /nfs/dbraw/zinc/66/88/48/480668848.db2.gz QWCFJVRSPJRQBB-INIZCTEOSA-N -1 0 335.448 2.624 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000630319358 480668855 /nfs/dbraw/zinc/66/88/55/480668855.db2.gz YWUDBDOCVIBVIL-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(/C=C/C)cc1OC)C(=O)[O-] ZINC000630319101 480668943 /nfs/dbraw/zinc/66/89/43/480668943.db2.gz RUYYKHRKNAKSCK-VBROQKIQSA-N -1 0 333.384 2.643 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000630319614 480668984 /nfs/dbraw/zinc/66/89/84/480668984.db2.gz DHDDANVPCDSFAT-INIZCTEOSA-N -1 0 329.396 2.674 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)C(=O)[O-] ZINC000630319966 480669502 /nfs/dbraw/zinc/66/95/02/480669502.db2.gz MAZGFVBBISIEIG-CYBMUJFWSA-N -1 0 331.372 2.804 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000630321032 480669644 /nfs/dbraw/zinc/66/96/44/480669644.db2.gz DUCNXBVWNVPINR-CHWSQXEVSA-N -1 0 325.311 2.622 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000630320279 480669712 /nfs/dbraw/zinc/66/97/12/480669712.db2.gz SDYBQDCLFZAJNI-ZDUSSCGKSA-N -1 0 327.327 2.756 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000630320121 480669925 /nfs/dbraw/zinc/66/99/25/480669925.db2.gz PFAJADSDNOFJIZ-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C)C(=O)[O-] ZINC000630320728 480670010 /nfs/dbraw/zinc/67/00/10/480670010.db2.gz AQRWQRPNTXFQHO-XHDPSFHLSA-N -1 0 333.432 2.685 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000630320028 480670045 /nfs/dbraw/zinc/67/00/45/480670045.db2.gz NFWAUAHGDWSVEH-INIZCTEOSA-N -1 0 341.411 2.947 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000630319960 480670082 /nfs/dbraw/zinc/67/00/82/480670082.db2.gz LYQHUCVXJIBBFF-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000630321035 480670145 /nfs/dbraw/zinc/67/01/45/480670145.db2.gz DUCNXBVWNVPINR-OLZOCXBDSA-N -1 0 325.311 2.622 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322824 480670529 /nfs/dbraw/zinc/67/05/29/480670529.db2.gz WOBSPBYGQKLKQO-NVXWUHKLSA-N -1 0 348.443 2.681 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCOc1ccc(F)cc1F)C(=O)[O-] ZINC000630324496 480671839 /nfs/dbraw/zinc/67/18/39/480671839.db2.gz FCHSAVNHIPVSJB-CYBMUJFWSA-N -1 0 327.327 2.659 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)C(=O)[O-] ZINC000630326909 480672779 /nfs/dbraw/zinc/67/27/79/480672779.db2.gz SVSICBLOFPOVBD-YOEHRIQHSA-N -1 0 347.411 2.511 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2nnc(C(F)(F)F)s2)s1 ZINC000641406875 480923223 /nfs/dbraw/zinc/92/32/23/480923223.db2.gz WTAQVJZQVSYPGA-UHFFFAOYSA-N -1 0 339.393 2.721 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])CC1 ZINC000645968238 480995388 /nfs/dbraw/zinc/99/53/88/480995388.db2.gz XPJJKMKBJGBMRJ-UHFFFAOYSA-N -1 0 346.408 2.520 20 30 EFEDRM C=CCCS(=O)(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000646024052 481027235 /nfs/dbraw/zinc/02/72/35/481027235.db2.gz OBXAYCHMOFDALH-INIZCTEOSA-N -1 0 347.436 2.579 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647702178 481061423 /nfs/dbraw/zinc/06/14/23/481061423.db2.gz DUFYMMJNHOOHCW-UHFFFAOYSA-N -1 0 332.400 2.808 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000646152910 481128203 /nfs/dbraw/zinc/12/82/03/481128203.db2.gz KXBSLSDCOVTVGY-INIZCTEOSA-N -1 0 346.427 2.875 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000646168720 481138296 /nfs/dbraw/zinc/13/82/96/481138296.db2.gz OTXQXYLKKAXTAS-UHFFFAOYSA-N -1 0 346.427 2.656 20 30 EFEDRM O=C([O-])CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659117058 481208430 /nfs/dbraw/zinc/20/84/30/481208430.db2.gz PLBPZBRXSSQEAL-UHFFFAOYSA-N -1 0 347.186 2.790 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC000659154871 481238971 /nfs/dbraw/zinc/23/89/71/481238971.db2.gz WGRCPMNJIAZJRU-GFCCVEGCSA-N -1 0 330.306 2.896 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659237215 481296336 /nfs/dbraw/zinc/29/63/36/481296336.db2.gz BDUDBKOONAUUSL-MAUKXSAKSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659237214 481296826 /nfs/dbraw/zinc/29/68/26/481296826.db2.gz BDUDBKOONAUUSL-CRAIPNDOSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000659236286 481296838 /nfs/dbraw/zinc/29/68/38/481296838.db2.gz SAGLSYZXULAQSC-CRAIPNDOSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCCC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1 ZINC000659410120 481418519 /nfs/dbraw/zinc/41/85/19/481418519.db2.gz OYBNIPJMIUDGBQ-UHFFFAOYSA-N -1 0 338.448 2.694 20 30 EFEDRM C=CCOCCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659412997 481420031 /nfs/dbraw/zinc/42/00/31/481420031.db2.gz MVONZNGNCXRISW-UHFFFAOYSA-N -1 0 346.427 2.867 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)co1 ZINC000643778016 481587313 /nfs/dbraw/zinc/58/73/13/481587313.db2.gz XZMILCOERXYIJY-SECBINFHSA-N -1 0 325.246 2.977 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647374620 481789144 /nfs/dbraw/zinc/78/91/44/481789144.db2.gz HKYTUFDUHLKQIN-VIFPVBQESA-N -1 0 332.410 2.925 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647374619 481789402 /nfs/dbraw/zinc/78/94/02/481789402.db2.gz HKYTUFDUHLKQIN-SECBINFHSA-N -1 0 332.410 2.925 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1 ZINC000647379004 481793457 /nfs/dbraw/zinc/79/34/57/481793457.db2.gz UDSSPXVDBZGKSZ-CYBMUJFWSA-N -1 0 343.408 2.931 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c2c1CCCC2 ZINC000651581685 481860235 /nfs/dbraw/zinc/86/02/35/481860235.db2.gz RQABBGAMQVWNMJ-ZDUSSCGKSA-N -1 0 333.395 2.676 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000663073278 482057864 /nfs/dbraw/zinc/05/78/64/482057864.db2.gz QCGKZKDLICONJV-UHFFFAOYSA-N -1 0 344.411 2.966 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663078394 482059719 /nfs/dbraw/zinc/05/97/19/482059719.db2.gz GZDGBHFTVXRJLP-OAHLLOKOSA-N -1 0 345.399 2.824 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3scc4c3OCCO4)nc1-2 ZINC000654980836 482117109 /nfs/dbraw/zinc/11/71/09/482117109.db2.gz VIAPNHGFSYMYFX-SECBINFHSA-N -1 0 340.364 2.589 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000663269472 482146872 /nfs/dbraw/zinc/14/68/72/482146872.db2.gz OIDXASILDJIGHE-NSHDSACASA-N -1 0 346.305 2.646 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000170610013 533919178 /nfs/dbraw/zinc/91/91/78/533919178.db2.gz VMJGLAXEZQXFNS-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1nc(SC)[n-]s1 ZINC000416899693 534320732 /nfs/dbraw/zinc/32/07/32/534320732.db2.gz GOSNMSXXTGKVGI-LBPRGKRZSA-N -1 0 334.470 2.991 20 30 EFEDRM C=C(C)[C@H](NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000421809528 534338839 /nfs/dbraw/zinc/33/88/39/534338839.db2.gz VGNZWINAVHHBBS-RULNRJAQSA-N -1 0 327.327 2.576 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(OC)c1OC ZINC000262954468 534409828 /nfs/dbraw/zinc/40/98/28/534409828.db2.gz LMPBOCYZONKYLY-SWLSCSKDSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(CNC(=O)CC2(C(=O)[O-])CCC2)cc(OC)c1OC ZINC000262520373 534415660 /nfs/dbraw/zinc/41/56/60/534415660.db2.gz NSNKMKKFPYPVCV-UHFFFAOYSA-N -1 0 347.411 2.694 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177994682 519744675 /nfs/dbraw/zinc/74/46/75/519744675.db2.gz SLSKMQHRWRDHOD-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1C#N ZINC000263070473 519780599 /nfs/dbraw/zinc/78/05/99/519780599.db2.gz PXJZLEFWOWJZNS-UHFFFAOYSA-N -1 0 331.372 2.674 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC000263065948 519780638 /nfs/dbraw/zinc/78/06/38/519780638.db2.gz PDLOPIPXKNYWJY-GFCCVEGCSA-N -1 0 331.372 2.674 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076936544 520870168 /nfs/dbraw/zinc/87/01/68/520870168.db2.gz WJDYIGPKWURZFT-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cn1 ZINC000187075911 520889963 /nfs/dbraw/zinc/88/99/63/520889963.db2.gz RNSULURHZGNAEH-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120498820 521134670 /nfs/dbraw/zinc/13/46/70/521134670.db2.gz QUVFLKGXLPQROV-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120952438 521400648 /nfs/dbraw/zinc/40/06/48/521400648.db2.gz FQIFLZQCLSZXHG-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183010643 521625769 /nfs/dbraw/zinc/62/57/69/521625769.db2.gz KWDFABMKOSGZKK-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM C=CCC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC000425244231 534588614 /nfs/dbraw/zinc/58/86/14/534588614.db2.gz RSQGZXPDPRNWTJ-GOSISDBHSA-N -1 0 331.412 2.518 20 30 EFEDRM C=CCCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000263269471 534604348 /nfs/dbraw/zinc/60/43/48/534604348.db2.gz XHRKHAJGNCTWLL-UHFFFAOYSA-N -1 0 326.190 2.829 20 30 EFEDRM CN(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)c(F)c1 ZINC000095434685 522129089 /nfs/dbraw/zinc/12/90/89/522129089.db2.gz FJSQFJSTRIBITP-UHFFFAOYSA-N -1 0 328.390 2.647 20 30 EFEDRM C=CCCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000238048980 534627612 /nfs/dbraw/zinc/62/76/12/534627612.db2.gz KEJHDNRBTBTTQL-OAHLLOKOSA-N -1 0 330.384 2.671 20 30 EFEDRM COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057120983 523425247 /nfs/dbraw/zinc/42/52/47/523425247.db2.gz YOIJUIQJHIXGHD-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1F ZINC000435485861 534719122 /nfs/dbraw/zinc/71/91/22/534719122.db2.gz YLXASOUEUJWNBF-UHFFFAOYSA-N -1 0 339.373 2.518 20 30 EFEDRM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C ZINC000079283049 523654886 /nfs/dbraw/zinc/65/48/86/523654886.db2.gz ROYBNRIJXYWENN-UHFFFAOYSA-N -1 0 341.845 2.762 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000060360614 524307261 /nfs/dbraw/zinc/30/72/61/524307261.db2.gz KUGKBYMLMPXWGW-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C(=O)[O-] ZINC000263540070 534793469 /nfs/dbraw/zinc/79/34/69/534793469.db2.gz QKLYHETVEPXDLA-QGZVFWFLSA-N -1 0 347.411 2.531 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)[O-] ZINC000262889959 534794802 /nfs/dbraw/zinc/79/48/02/534794802.db2.gz LJKQHAQCSIJISP-SNVBAGLBSA-N -1 0 347.337 2.806 20 30 EFEDRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120550647 524870423 /nfs/dbraw/zinc/87/04/23/524870423.db2.gz ZIYSIGXEWWJGTP-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000063878611 524878063 /nfs/dbraw/zinc/87/80/63/524878063.db2.gz RRBBGQPQCJDZIV-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C[C@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000263085801 525047049 /nfs/dbraw/zinc/04/70/49/525047049.db2.gz VDCFXTIHAYNLNC-XLWVJDPXSA-N -1 0 327.384 2.516 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000180816170 525180765 /nfs/dbraw/zinc/18/07/65/525180765.db2.gz WJPISYDXTVPYFK-UHFFFAOYSA-N -1 0 332.429 2.760 20 30 EFEDRM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000116712165 525738890 /nfs/dbraw/zinc/73/88/90/525738890.db2.gz YCDYXPJGPXZDTL-JOCHJYFZSA-N -1 0 348.449 2.546 20 30 EFEDRM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(C)C ZINC000023162671 525763795 /nfs/dbraw/zinc/76/37/95/525763795.db2.gz XNGAUPBHRUPSQO-IJDCCNJMSA-N -1 0 344.363 2.711 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177479240 525955583 /nfs/dbraw/zinc/95/55/83/525955583.db2.gz ASHUMZAJJXRCAE-DOMZBBRYSA-N -1 0 336.347 2.541 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC000180706053 526527554 /nfs/dbraw/zinc/52/75/54/526527554.db2.gz VUTGNSUKVZHHPL-UHFFFAOYSA-N -1 0 344.318 2.551 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000120546886 526530844 /nfs/dbraw/zinc/53/08/44/526530844.db2.gz RQCSHZNBDDNJBI-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000261703616 526654750 /nfs/dbraw/zinc/65/47/50/526654750.db2.gz KIFBSKYODOGTON-VIFPVBQESA-N -1 0 327.262 2.515 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c(Cl)c1 ZINC000183005268 526683930 /nfs/dbraw/zinc/68/39/30/526683930.db2.gz WLQOYWRACBSJHC-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000263245454 526734110 /nfs/dbraw/zinc/73/41/10/526734110.db2.gz OGLYNXSMVWVWGN-QGZVFWFLSA-N -1 0 349.390 2.841 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181889453 526740706 /nfs/dbraw/zinc/74/07/06/526740706.db2.gz BPDZIDXCPWJXIG-CQSZACIVSA-N -1 0 329.755 2.704 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000181140442 526743987 /nfs/dbraw/zinc/74/39/87/526743987.db2.gz RIDNRRMPBZRXLX-UHFFFAOYSA-N -1 0 341.392 2.634 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193028053 526744066 /nfs/dbraw/zinc/74/40/66/526744066.db2.gz NNWZKXVNACDNAM-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 ZINC000050205281 527283036 /nfs/dbraw/zinc/28/30/36/527283036.db2.gz HOJKSTNXGWZVEI-CHWSQXEVSA-N -1 0 339.804 2.522 20 30 EFEDRM C=CCN(C)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000154194344 527560724 /nfs/dbraw/zinc/56/07/24/527560724.db2.gz GIOZOUTXBRFJMK-UHFFFAOYSA-N -1 0 345.468 2.890 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000176271042 528634067 /nfs/dbraw/zinc/63/40/67/528634067.db2.gz OOVSXUBGZCLBNB-NSHDSACASA-N -1 0 330.363 2.647 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCCCC1 ZINC000158908075 528856660 /nfs/dbraw/zinc/85/66/60/528856660.db2.gz OQRJURMODNPBMV-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195441577 535003691 /nfs/dbraw/zinc/00/36/91/535003691.db2.gz QXLLHQOJUGCVPV-UHFFFAOYSA-N -1 0 326.381 2.555 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C#N ZINC000417797665 535010580 /nfs/dbraw/zinc/01/05/80/535010580.db2.gz UNCWHQJHQCSSNN-LLVKDONJSA-N -1 0 331.372 2.674 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000350804472 535195644 /nfs/dbraw/zinc/19/56/44/535195644.db2.gz YJFHJGRXBDAVGF-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000356029414 535969314 /nfs/dbraw/zinc/96/93/14/535969314.db2.gz PBRYQWBSXORRCC-HNNXBMFYSA-N -1 0 336.367 2.707 20 30 EFEDRM CCc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1CCC(C)C ZINC000359714026 536048997 /nfs/dbraw/zinc/04/89/97/536048997.db2.gz FTIJIJGEXMFPBX-UHFFFAOYSA-N -1 0 340.431 2.638 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000341403408 536657292 /nfs/dbraw/zinc/65/72/92/536657292.db2.gz VQWTWWJTBGHXRD-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000355788184 536657376 /nfs/dbraw/zinc/65/73/76/536657376.db2.gz VTVCNRXONKJHDD-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000357724883 536658343 /nfs/dbraw/zinc/65/83/43/536658343.db2.gz KATIZDHQVKOTKF-NSHDSACASA-N -1 0 344.392 2.691 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000349976945 536786924 /nfs/dbraw/zinc/78/69/24/536786924.db2.gz YEVLSJZIYRHFBI-UHFFFAOYSA-N -1 0 346.408 2.823 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000191172641 545512878 /nfs/dbraw/zinc/51/28/78/545512878.db2.gz ZCNYFULMLDHUIT-MNOVXSKESA-N -1 0 329.805 2.548 20 30 EFEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000680617251 549359780 /nfs/dbraw/zinc/35/97/80/549359780.db2.gz KRDQWUDLRKUCAK-SECBINFHSA-N -1 0 329.312 2.617 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)n1 ZINC000329783060 545838557 /nfs/dbraw/zinc/83/85/57/545838557.db2.gz OEJLXRFVGUKOSF-LBPRGKRZSA-N -1 0 327.413 2.722 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)n1 ZINC000329783059 545839143 /nfs/dbraw/zinc/83/91/43/545839143.db2.gz OEJLXRFVGUKOSF-GFCCVEGCSA-N -1 0 327.413 2.722 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC000656718509 546899469 /nfs/dbraw/zinc/89/94/69/546899469.db2.gz STKMGBBTGOEBTC-CQSZACIVSA-N -1 0 349.452 2.780 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2c(C)csc2C(=O)[O-])C1 ZINC000656719063 546900251 /nfs/dbraw/zinc/90/02/51/546900251.db2.gz YMRDVLGBRXNFJW-LLVKDONJSA-N -1 0 329.443 2.732 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000671644639 547637367 /nfs/dbraw/zinc/63/73/67/547637367.db2.gz XWBYSPBPRHPHQM-MRXNPFEDSA-N -1 0 331.393 2.661 20 30 EFEDRM C=CCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1OC ZINC000676024294 548392455 /nfs/dbraw/zinc/39/24/55/548392455.db2.gz XAPGKBJBVATIIP-UHFFFAOYSA-N -1 0 333.384 2.635 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(-c2ccncc2)n1 ZINC000681350312 549515090 /nfs/dbraw/zinc/51/50/90/549515090.db2.gz NCLNBEWXWXZGJQ-ZDUSSCGKSA-N -1 0 342.362 2.848 20 30 EFEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc(-c2ccncc2)cs1 ZINC000685786008 550181897 /nfs/dbraw/zinc/18/18/97/550181897.db2.gz QQILSHIISDPMFS-ZDUSSCGKSA-N -1 0 331.360 2.962 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CCCC#N ZINC000754003250 575374196 /nfs/dbraw/zinc/37/41/96/575374196.db2.gz ZYJDLSWVKHHTPW-ZIAGYGMSSA-N -1 0 334.441 2.726 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c[nH]nc1-c1ccccc1 ZINC000755616357 575608767 /nfs/dbraw/zinc/60/87/67/575608767.db2.gz FBRNHRVJCBGXFH-UHFFFAOYSA-N -1 0 347.403 2.958 20 30 EFEDRM CC[C@@H](C)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000755645208 575612962 /nfs/dbraw/zinc/61/29/62/575612962.db2.gz LPWQZDPSTRKVTO-GFCCVEGCSA-N -1 0 333.417 2.721 20 30 EFEDRM CCCCNN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000755648687 575613372 /nfs/dbraw/zinc/61/33/72/575613372.db2.gz JUQOCNZPFLICTO-UHFFFAOYSA-N -1 0 331.338 2.950 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)OCC ZINC000756500051 575749497 /nfs/dbraw/zinc/74/94/97/575749497.db2.gz RMYYVXOCEPSUMJ-CYBMUJFWSA-N -1 0 331.821 2.516 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)OCC ZINC000756530141 575755845 /nfs/dbraw/zinc/75/58/45/575755845.db2.gz AACLVJBQQUWGOU-GFCCVEGCSA-N -1 0 349.811 2.655 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2cccc(Cl)c21 ZINC000756899013 575798503 /nfs/dbraw/zinc/79/85/03/575798503.db2.gz LMNOXOYNYPDJKY-UHFFFAOYSA-N -1 0 345.742 2.815 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nc2sccn12 ZINC000756898819 575798580 /nfs/dbraw/zinc/79/85/80/575798580.db2.gz DDRTXZPRNKORAZ-UHFFFAOYSA-N -1 0 330.369 2.857 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2c(c1)CC(=O)N2 ZINC000756899359 575798583 /nfs/dbraw/zinc/79/85/83/575798583.db2.gz XUKFPGQZCRMGEA-UHFFFAOYSA-N -1 0 339.351 2.724 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(OCC#N)cc1 ZINC000756899172 575798612 /nfs/dbraw/zinc/79/86/12/575798612.db2.gz RTLANCGDQHIRGK-UHFFFAOYSA-N -1 0 325.324 2.742 20 30 EFEDRM COc1ccc(O)c(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000757467374 575839828 /nfs/dbraw/zinc/83/98/28/575839828.db2.gz DRULZPDXCALCDL-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM CC(=NNCCCOc1ccccc1)c1cccc(OCC(=O)[O-])c1 ZINC000757464507 575839837 /nfs/dbraw/zinc/83/98/37/575839837.db2.gz ARNNAAZVISQONV-UHFFFAOYSA-N -1 0 342.395 2.933 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000757472074 575840187 /nfs/dbraw/zinc/84/01/87/575840187.db2.gz KXTWFUDKRSIDSI-YHYXMXQVSA-N -1 0 332.377 2.700 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc(CC(=O)[O-])cc1 ZINC000757583369 575843334 /nfs/dbraw/zinc/84/33/34/575843334.db2.gz LPHZTLYBHOLDEH-UHFFFAOYSA-N -1 0 336.351 2.799 20 30 EFEDRM COC(=O)[C@H](C)Oc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000758354297 575867606 /nfs/dbraw/zinc/86/76/06/575867606.db2.gz GHXDXZMVKRSRDJ-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)nn1 ZINC000759074307 575884046 /nfs/dbraw/zinc/88/40/46/575884046.db2.gz URDAXYFUIWTPKI-DUXPYHPUSA-N -1 0 326.139 2.566 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc3c4c(cccc42)CC3)nn1 ZINC000759075533 575884100 /nfs/dbraw/zinc/88/41/00/575884100.db2.gz HRCNGCOKJAKROL-VQHVLOKHSA-N -1 0 333.347 2.511 20 30 EFEDRM O=C(/C=C\c1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088938 575884357 /nfs/dbraw/zinc/88/43/57/575884357.db2.gz DIBPDYMZPWBDIW-ARJAWSKDSA-N -1 0 341.245 2.955 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000759229737 575887333 /nfs/dbraw/zinc/88/73/33/575887333.db2.gz BLRFAQBCAMCYIR-ZANVPECISA-N -1 0 330.384 2.746 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000759271378 575888277 /nfs/dbraw/zinc/88/82/77/575888277.db2.gz HNRZRCGUASORSK-MVZIDQBPSA-N -1 0 345.355 2.744 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000759271376 575888305 /nfs/dbraw/zinc/88/83/05/575888305.db2.gz HNRZRCGUASORSK-AAOUONPWSA-N -1 0 345.355 2.744 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000759380481 575890547 /nfs/dbraw/zinc/89/05/47/575890547.db2.gz AIUSOJMQSPQXLX-CQSZACIVSA-N -1 0 345.420 2.860 20 30 EFEDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000759549278 575899220 /nfs/dbraw/zinc/89/92/20/575899220.db2.gz FTMYTQOHYVFOAY-MNOVXSKESA-N -1 0 340.832 2.843 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(Cl)cs2)CCCC1 ZINC000759624952 575912006 /nfs/dbraw/zinc/91/20/06/575912006.db2.gz FNTSSDNXLMJOOC-UHFFFAOYSA-N -1 0 332.834 2.545 20 30 EFEDRM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713303 575925041 /nfs/dbraw/zinc/92/50/41/575925041.db2.gz MFZDIUPSUDNFMO-UHFFFAOYSA-N -1 0 333.388 2.753 20 30 EFEDRM COc1cc(OC)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1OC ZINC000759720494 575925810 /nfs/dbraw/zinc/92/58/10/575925810.db2.gz JAVDKENFJHADNN-UHFFFAOYSA-N -1 0 328.324 2.542 20 30 EFEDRM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759718627 575925936 /nfs/dbraw/zinc/92/59/36/575925936.db2.gz ZMWTTZYAUQNHLJ-GFCCVEGCSA-N -1 0 349.412 2.512 20 30 EFEDRM N#Cc1nc(NC(=O)CCSc2ccccc2Cl)[n-]c1C#N ZINC000760137888 575983280 /nfs/dbraw/zinc/98/32/80/575983280.db2.gz JQZIPQVXWOZZIO-UHFFFAOYSA-N -1 0 331.788 2.927 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cn(CC(=O)[O-])nn1)CC2 ZINC000760230673 575992942 /nfs/dbraw/zinc/99/29/42/575992942.db2.gz VOVVEGBZJRFVPG-VGOFMYFVSA-N -1 0 325.368 2.699 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000760360741 576011995 /nfs/dbraw/zinc/01/19/95/576011995.db2.gz CWSRENZWUPDFDJ-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(C)c2F)n1 ZINC000761281636 576139973 /nfs/dbraw/zinc/13/99/73/576139973.db2.gz FCZBRVSFYJRKSZ-GFCCVEGCSA-N -1 0 332.356 2.932 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000761288873 576140612 /nfs/dbraw/zinc/14/06/12/576140612.db2.gz KFSRSRSPAVHODT-INIZCTEOSA-N -1 0 343.404 2.736 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(C(F)(F)F)s2)C(=O)O1 ZINC000761473895 576167442 /nfs/dbraw/zinc/16/74/42/576167442.db2.gz IXPWWXWBFYSPLA-DTRQGZQOSA-N -1 0 330.283 2.995 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000762023670 576244786 /nfs/dbraw/zinc/24/47/86/576244786.db2.gz YKKHUCGHLYJFMU-UHFFFAOYSA-N -1 0 327.336 2.862 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762024743 576245263 /nfs/dbraw/zinc/24/52/63/576245263.db2.gz QWQIAIUUOHFJDQ-DLBZAZTESA-N -1 0 328.412 2.819 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762033675 576246569 /nfs/dbraw/zinc/24/65/69/576246569.db2.gz DNOZIDWRNSYYEI-NVXWUHKLSA-N -1 0 326.396 2.572 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000762051397 576249883 /nfs/dbraw/zinc/24/98/83/576249883.db2.gz ALHOBLHYZDQDAW-SECBINFHSA-N -1 0 332.183 2.860 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000762051401 576249929 /nfs/dbraw/zinc/24/99/29/576249929.db2.gz ALHOBLHYZDQDAW-VIFPVBQESA-N -1 0 332.183 2.860 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(COc2ccccc2OC)o1 ZINC000762066403 576252424 /nfs/dbraw/zinc/25/24/24/576252424.db2.gz NFACCGFGYHCNOG-UHFFFAOYSA-N -1 0 345.351 2.580 20 30 EFEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)n1C[C@H]1CCCO1 ZINC000763368338 576374490 /nfs/dbraw/zinc/37/44/90/576374490.db2.gz KQOLHBBRMIJBEP-MRXNPFEDSA-N -1 0 342.399 2.823 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N2CCCC2)cc1O ZINC000763371573 576374614 /nfs/dbraw/zinc/37/46/14/576374614.db2.gz FCBQUMIGZAQVNB-UHFFFAOYSA-N -1 0 340.383 2.922 20 30 EFEDRM COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(Cl)c1OC ZINC000763377244 576374855 /nfs/dbraw/zinc/37/48/55/576374855.db2.gz NHGSXVQKYJGIFG-UHFFFAOYSA-N -1 0 335.747 2.896 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCO2 ZINC000763928667 576411410 /nfs/dbraw/zinc/41/14/10/576411410.db2.gz VZLPOHBZOAIVJM-CYBMUJFWSA-N -1 0 348.362 2.661 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCO2 ZINC000763928670 576411488 /nfs/dbraw/zinc/41/14/88/576411488.db2.gz VZLPOHBZOAIVJM-ZDUSSCGKSA-N -1 0 348.362 2.661 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000764659029 576486320 /nfs/dbraw/zinc/48/63/20/576486320.db2.gz MOEZSSGGQRYZLG-UHFFFAOYSA-N -1 0 327.409 2.773 20 30 EFEDRM CC(=NNC(=S)NCCc1cccs1)c1cccc(C(=O)[O-])c1 ZINC000764676213 576487979 /nfs/dbraw/zinc/48/79/79/576487979.db2.gz PKJAJOBCWGXFRI-UHFFFAOYSA-N -1 0 347.465 2.877 20 30 EFEDRM O=C([O-])CCOc1ccc(CN=Nc2ncnc3ccsc32)cc1 ZINC000764839850 576510109 /nfs/dbraw/zinc/51/01/09/576510109.db2.gz GCIFYNZIBSKCJA-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM C#CCCOC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000765437527 577042281 /nfs/dbraw/zinc/04/22/81/577042281.db2.gz FWLFFGXYCKKSIJ-UHFFFAOYSA-N -1 0 349.433 2.658 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12 ZINC000765571398 577055431 /nfs/dbraw/zinc/05/54/31/577055431.db2.gz GYOCZHTYLLUKAH-UHFFFAOYSA-N -1 0 339.311 2.924 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNCCc3ccccc3F)[nH]nc2c1 ZINC000765585002 577056611 /nfs/dbraw/zinc/05/66/11/577056611.db2.gz WBHADDCCEBFBIH-UHFFFAOYSA-N -1 0 326.331 2.566 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnn1C1CCCC1 ZINC000766257723 577128457 /nfs/dbraw/zinc/12/84/57/577128457.db2.gz NTHNUOVAPSYBIV-HNNXBMFYSA-N -1 0 328.416 2.770 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1 ZINC000766839692 577184591 /nfs/dbraw/zinc/18/45/91/577184591.db2.gz BZXCJSGXQZYSIH-NSHDSACASA-N -1 0 337.807 2.763 20 30 EFEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766981353 577190688 /nfs/dbraw/zinc/19/06/88/577190688.db2.gz FWQFXYBYDYRLQY-CYBMUJFWSA-N -1 0 338.429 2.588 20 30 EFEDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766979482 577190704 /nfs/dbraw/zinc/19/07/04/577190704.db2.gz XKHMERZNICRIEK-UHFFFAOYSA-N -1 0 338.429 2.588 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766987725 577190878 /nfs/dbraw/zinc/19/08/78/577190878.db2.gz DESWYOLABPUFBQ-UHFFFAOYSA-N -1 0 338.429 2.732 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1OC ZINC000767077432 577195426 /nfs/dbraw/zinc/19/54/26/577195426.db2.gz PWVKXMAKNSZGJY-BOSPYUDASA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1OC ZINC000767077435 577195504 /nfs/dbraw/zinc/19/55/04/577195504.db2.gz PWVKXMAKNSZGJY-ZHMISCPASA-N -1 0 345.395 2.643 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cncc(C)c2)ccc1OCC(=O)[O-] ZINC000767367202 577206391 /nfs/dbraw/zinc/20/63/91/577206391.db2.gz MTIWOHBKICKISA-HWKANZROSA-N -1 0 327.336 2.758 20 30 EFEDRM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1cccc(C(F)(F)F)c1 ZINC000767456192 577209094 /nfs/dbraw/zinc/20/90/94/577209094.db2.gz LUQVIMWOCYBHLY-LLVKDONJSA-N -1 0 348.271 2.937 20 30 EFEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F ZINC000767602312 577217797 /nfs/dbraw/zinc/21/77/97/577217797.db2.gz DPVFCUHBBCDJPB-QPUJVOFHSA-N -1 0 338.326 2.953 20 30 EFEDRM COc1ccc(/C=C\C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737983356 577221145 /nfs/dbraw/zinc/22/11/45/577221145.db2.gz UNEMSHSWSRDGQD-SNMSSPIJSA-N -1 0 337.331 2.949 20 30 EFEDRM COc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737984910 577222371 /nfs/dbraw/zinc/22/23/71/577222371.db2.gz PKHZVKOWBYUCJT-QGZVFWFLSA-N -1 0 343.310 2.618 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Br)cc1F ZINC000767760969 577232438 /nfs/dbraw/zinc/23/24/38/577232438.db2.gz LQJCXTZITPYIIO-UHFFFAOYSA-N -1 0 340.156 2.623 20 30 EFEDRM COc1ccc(N=NCc2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767798571 577234710 /nfs/dbraw/zinc/23/47/10/577234710.db2.gz WVDUZTFFVWCJPD-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21 ZINC000767961398 577245266 /nfs/dbraw/zinc/24/52/66/577245266.db2.gz XRRLBZRMGOENSR-CQSZACIVSA-N -1 0 330.409 2.767 20 30 EFEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(OC)c1 ZINC000725858075 577252630 /nfs/dbraw/zinc/25/26/30/577252630.db2.gz FSMBCVTXCXHWLQ-UHFFFAOYSA-N -1 0 341.392 2.585 20 30 EFEDRM COc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1OC ZINC000725860063 577253847 /nfs/dbraw/zinc/25/38/47/577253847.db2.gz WAFBERGMENMAGZ-UHFFFAOYSA-N -1 0 341.392 2.585 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000768280912 577264135 /nfs/dbraw/zinc/26/41/35/577264135.db2.gz ZKCWMURHQKBCES-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000768285328 577264236 /nfs/dbraw/zinc/26/42/36/577264236.db2.gz OLCWKRUYICRSBL-UHFFFAOYSA-N -1 0 341.751 2.577 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739075657 577266588 /nfs/dbraw/zinc/26/65/88/577266588.db2.gz KWGQXNZOSWCYDP-UHFFFAOYSA-N -1 0 337.379 2.655 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000739075738 577266691 /nfs/dbraw/zinc/26/66/91/577266691.db2.gz VMCBPBJRHASHKS-ZDUSSCGKSA-N -1 0 349.268 2.793 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2cccc(OCCC(=O)[O-])c2)c1 ZINC000768372783 577269304 /nfs/dbraw/zinc/26/93/04/577269304.db2.gz CALQYJIQVUSOJQ-UHFFFAOYSA-N -1 0 344.758 2.906 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)c1 ZINC000768380225 577270271 /nfs/dbraw/zinc/27/02/71/577270271.db2.gz LSVIWTRQXNEOTD-UHFFFAOYSA-N -1 0 340.730 2.627 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)ccc2O)C(=O)[O-])cc1 ZINC000739116095 577282239 /nfs/dbraw/zinc/28/22/39/577282239.db2.gz ZJARWDYUHOUXIA-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1ccsc1NC(=O)COC(=O)c1cccc(NC(=O)[O-])c1 ZINC000739141889 577284911 /nfs/dbraw/zinc/28/49/11/577284911.db2.gz CCJZVNVKLJLSQT-UHFFFAOYSA-N -1 0 345.336 2.505 20 30 EFEDRM C#CCCN(CC(F)(F)F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000768618008 577289164 /nfs/dbraw/zinc/28/91/64/577289164.db2.gz MCWTUVYMZGBGHE-UHFFFAOYSA-N -1 0 325.208 2.837 20 30 EFEDRM O=C([O-])CCOc1cccc(C=C2CCc3[nH]c(=O)ccc3C2=O)c1 ZINC000768840506 577308114 /nfs/dbraw/zinc/30/81/14/577308114.db2.gz DRYQBIKHEHHHGH-JLHYYAGUSA-N -1 0 339.347 2.853 20 30 EFEDRM O=C([O-])CCOc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1 ZINC000768841120 577308315 /nfs/dbraw/zinc/30/83/15/577308315.db2.gz GTEZERRPAYPZHH-ACCUITESSA-N -1 0 339.347 2.853 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CON=C(N)c1nccc2ccccc21 ZINC000738965439 577342737 /nfs/dbraw/zinc/34/27/37/577342737.db2.gz FKGXPSGKQXDDEQ-UHFFFAOYSA-N -1 0 325.324 2.672 20 30 EFEDRM C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000769288076 577349235 /nfs/dbraw/zinc/34/92/35/577349235.db2.gz JWNSPVCTIIBXOR-MNOVXSKESA-N -1 0 340.832 2.843 20 30 EFEDRM COc1ccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)cc1F ZINC000738040346 577362503 /nfs/dbraw/zinc/36/25/03/577362503.db2.gz ROKSLJRDYGPXQS-UHFFFAOYSA-N -1 0 349.343 2.854 20 30 EFEDRM Cn1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(C(C)(C)C)n1 ZINC000769569314 577373017 /nfs/dbraw/zinc/37/30/17/577373017.db2.gz HDHDIBOIHDMQON-UHFFFAOYSA-N -1 0 341.440 2.598 20 30 EFEDRM Cc1cc(COc2ccc(C=NN3CCCC3=O)cc2)oc1C(=O)[O-] ZINC000769589721 577373620 /nfs/dbraw/zinc/37/36/20/577373620.db2.gz SUPIWPXPSMRUQE-UHFFFAOYSA-N -1 0 342.351 2.822 20 30 EFEDRM O=C([O-])c1ccccc1COc1cccc(C=NN2CCCC2=O)c1 ZINC000769590015 577373681 /nfs/dbraw/zinc/37/36/81/577373681.db2.gz RDYKDEXVEMAEJU-UHFFFAOYSA-N -1 0 338.363 2.920 20 30 EFEDRM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000726737802 577382117 /nfs/dbraw/zinc/38/21/17/577382117.db2.gz DZPKPIGQIRTNGT-UHFFFAOYSA-N -1 0 337.314 2.952 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccccc2-n2cncn2)c1 ZINC000726742173 577382652 /nfs/dbraw/zinc/38/26/52/577382652.db2.gz LQFCQMHYRYCBFO-CMDGGOBGSA-N -1 0 349.346 2.627 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(-c3ccccc3)no2)c1 ZINC000726739875 577383233 /nfs/dbraw/zinc/38/32/33/577383233.db2.gz WSIHRRMDJYAWDH-UHFFFAOYSA-N -1 0 325.284 2.796 20 30 EFEDRM CCn1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c2ccccc21 ZINC000769777869 577384417 /nfs/dbraw/zinc/38/44/17/577384417.db2.gz ODLZOWHMUUJLFS-UHFFFAOYSA-N -1 0 349.419 2.937 20 30 EFEDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000726859619 577390472 /nfs/dbraw/zinc/39/04/72/577390472.db2.gz GLGPRUANWUNDLH-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000738345099 577404652 /nfs/dbraw/zinc/40/46/52/577404652.db2.gz HIJZOXKJUPOMLS-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CCC[C@@H](C#N)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000770331428 577411372 /nfs/dbraw/zinc/41/13/72/577411372.db2.gz HOQLGVBCYMKBPK-AWEZNQCLSA-N -1 0 345.424 2.633 20 30 EFEDRM COC(=O)c1ccc(NCCOc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000737698883 577412735 /nfs/dbraw/zinc/41/27/35/577412735.db2.gz DULVJFRJRFVOPK-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM COC(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1C(=O)[O-] ZINC000737699821 577423350 /nfs/dbraw/zinc/42/33/50/577423350.db2.gz LIHRISPKDUBYSE-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM CCc1nn(C)cc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000770572891 581111789 /nfs/dbraw/zinc/11/17/89/581111789.db2.gz MXCKKQNFHDWBBH-LAUAKBEESA-N -1 0 328.368 2.731 20 30 EFEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000770863937 581142876 /nfs/dbraw/zinc/14/28/76/581142876.db2.gz YMXWBXJOTSSCRU-OAHLLOKOSA-N -1 0 325.368 2.660 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000770871488 581143721 /nfs/dbraw/zinc/14/37/21/581143721.db2.gz MFJBRHLEQVJJMP-GMTAPVOTSA-N -1 0 327.306 2.680 20 30 EFEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770877788 581144811 /nfs/dbraw/zinc/14/48/11/581144811.db2.gz UHVWRESLXGVNPG-GFCCVEGCSA-N -1 0 337.335 2.518 20 30 EFEDRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771074315 581171642 /nfs/dbraw/zinc/17/16/42/581171642.db2.gz KJEZXJCHYXAMMX-AWEZNQCLSA-N -1 0 348.468 2.882 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2csc3ccccc23)CCC1 ZINC000771076013 581171979 /nfs/dbraw/zinc/17/19/79/581171979.db2.gz CIIWXUNLIILVFN-UHFFFAOYSA-N -1 0 334.422 2.655 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)s1 ZINC000771077242 581172212 /nfs/dbraw/zinc/17/22/12/581172212.db2.gz CYEDEOLEFDFHRV-UHFFFAOYSA-N -1 0 340.470 2.799 20 30 EFEDRM C[C@@H](CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771077668 581172270 /nfs/dbraw/zinc/17/22/70/581172270.db2.gz GKMLYYJSLIXFEF-AWEZNQCLSA-N -1 0 334.441 2.710 20 30 EFEDRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771077758 581172322 /nfs/dbraw/zinc/17/23/22/581172322.db2.gz GZZYTJADCPJZJL-MRXNPFEDSA-N -1 0 348.468 2.956 20 30 EFEDRM CC(C)[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771079996 581172787 /nfs/dbraw/zinc/17/27/87/581172787.db2.gz ZZZJYWHYPDNRPW-INIZCTEOSA-N -1 0 348.468 2.956 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000772718656 581359274 /nfs/dbraw/zinc/35/92/74/581359274.db2.gz WAUTXWUNFGZVCZ-UHFFFAOYSA-N -1 0 344.845 2.514 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(C2SCCCS2)cc1 ZINC000772720255 581359462 /nfs/dbraw/zinc/35/94/62/581359462.db2.gz FOQMMONSRVLKPA-UHFFFAOYSA-N -1 0 343.495 2.801 20 30 EFEDRM COc1cc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c(OC)cc1O ZINC000772799322 581369730 /nfs/dbraw/zinc/36/97/30/581369730.db2.gz BJSCGTCLNNWBIS-ZZXKWVIFSA-N -1 0 345.307 2.919 20 30 EFEDRM C#C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000772961563 581383698 /nfs/dbraw/zinc/38/36/98/581383698.db2.gz AAZDWYWZEDNGTP-GFCCVEGCSA-N -1 0 348.449 2.609 20 30 EFEDRM COc1cc(CN=Nc2nccnc2C(C)C)ccc1OCC(=O)[O-] ZINC000773085569 581395271 /nfs/dbraw/zinc/39/52/71/581395271.db2.gz JRNZRVQIWBMLFA-UHFFFAOYSA-N -1 0 344.371 2.518 20 30 EFEDRM CC(C)c1nccnc1N=NC(C)c1cccc(OCC(=O)[O-])c1 ZINC000773085553 581395282 /nfs/dbraw/zinc/39/52/82/581395282.db2.gz JKXWFBLAWAOFSC-UHFFFAOYSA-N -1 0 328.372 2.900 20 30 EFEDRM CC(C)c1nccnc1N=NCc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000773091006 581396085 /nfs/dbraw/zinc/39/60/85/581396085.db2.gz LWFLGGOJAAVSLO-GFCCVEGCSA-N -1 0 328.372 2.898 20 30 EFEDRM C[C@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773769017 581463164 /nfs/dbraw/zinc/46/31/64/581463164.db2.gz IJGJRQLLBZRUID-RHSMWYFYSA-N -1 0 335.407 2.893 20 30 EFEDRM C[C@@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773769018 581463190 /nfs/dbraw/zinc/46/31/90/581463190.db2.gz IJGJRQLLBZRUID-WMLDXEAASA-N -1 0 335.407 2.893 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccn1[C@@H](C)Cc1ccccc1 ZINC000773770887 581463348 /nfs/dbraw/zinc/46/33/48/581463348.db2.gz PQFHKXCIEHIWBZ-RDJZCZTQSA-N -1 0 335.407 2.916 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1(F)CCCC1 ZINC000773988172 581477206 /nfs/dbraw/zinc/47/72/06/581477206.db2.gz JCDPZOPQJMPRFW-LBPRGKRZSA-N -1 0 348.374 2.982 20 30 EFEDRM N#CCCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c2ccccc21 ZINC000774042124 581479909 /nfs/dbraw/zinc/47/99/09/581479909.db2.gz FFLCDBGOBBIHPK-INIZCTEOSA-N -1 0 348.406 2.890 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)sn1 ZINC000774051097 581480587 /nfs/dbraw/zinc/48/05/87/581480587.db2.gz HQWWTDNOPDWHKA-LLVKDONJSA-N -1 0 329.381 2.811 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cn(CCCC#N)c2ccccc12 ZINC000774054165 581480680 /nfs/dbraw/zinc/48/06/80/581480680.db2.gz QVMQVCJOGOBYPG-HNNXBMFYSA-N -1 0 334.379 2.570 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000818447824 597009378 /nfs/dbraw/zinc/00/93/78/597009378.db2.gz ZZPKJQBLIZLUBY-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC000738503999 597049633 /nfs/dbraw/zinc/04/96/33/597049633.db2.gz WXVJTGDWACWKBE-ZWNOBZJWSA-N -1 0 347.396 2.542 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nn(CN(C)[C@@H](C)C(=O)[O-])c1=S ZINC000817685763 597226009 /nfs/dbraw/zinc/22/60/09/597226009.db2.gz FKZIALBEGVDCJY-ZDUSSCGKSA-N -1 0 346.456 2.938 20 30 EFEDRM N#CCCN(C(=O)CN1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000821320051 597430027 /nfs/dbraw/zinc/43/00/27/597430027.db2.gz HOUVUIMGCBDYRX-HNNXBMFYSA-N -1 0 349.818 2.526 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000817762504 597462661 /nfs/dbraw/zinc/46/26/61/597462661.db2.gz NODBGZRQFHJMIH-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000819835236 597605824 /nfs/dbraw/zinc/60/58/24/597605824.db2.gz UKHHTKRHTPTZLQ-HNNXBMFYSA-N -1 0 338.766 2.631 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000819821680 597608338 /nfs/dbraw/zinc/60/83/38/597608338.db2.gz JFANBMBDKQGFBI-BLLLJJGKSA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000819824569 597608893 /nfs/dbraw/zinc/60/88/93/597608893.db2.gz ZAVRBDSMAAJJQI-DOMZBBRYSA-N -1 0 342.317 2.671 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000819866530 597611629 /nfs/dbraw/zinc/61/16/29/597611629.db2.gz XYGKCZQJPLSALA-HNNXBMFYSA-N -1 0 339.269 2.605 20 30 EFEDRM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C ZINC000820968063 597617895 /nfs/dbraw/zinc/61/78/95/597617895.db2.gz JKALKBMGSSLMIA-SCLBCKFNSA-N -1 0 331.368 2.731 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1cc(Cl)ccc1Cl ZINC000819866625 597620956 /nfs/dbraw/zinc/62/09/56/597620956.db2.gz YXHXQDFGWJCVII-CQSZACIVSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Cl)c2cccnc12 ZINC000819874248 597621784 /nfs/dbraw/zinc/62/17/84/597621784.db2.gz JPVDQSOCCIZSJE-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000819848298 597625680 /nfs/dbraw/zinc/62/56/80/597625680.db2.gz RSXFEAINERYHJS-ZDUSSCGKSA-N -1 0 332.690 2.884 20 30 EFEDRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820607466 597631991 /nfs/dbraw/zinc/63/19/91/597631991.db2.gz FMTPMUKDPSDLTC-AWEZNQCLSA-N -1 0 328.290 2.668 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000819842020 597641276 /nfs/dbraw/zinc/64/12/76/597641276.db2.gz HUXZPWTVZBRVMR-GOSISDBHSA-N -1 0 330.384 2.629 20 30 EFEDRM Cc1cc(C)cc(-c2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]2)c1 ZINC000820968128 597641633 /nfs/dbraw/zinc/64/16/33/597641633.db2.gz NBJUECGTFZMYEA-KRWDZBQOSA-N -1 0 326.356 2.637 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000819823381 597642664 /nfs/dbraw/zinc/64/26/64/597642664.db2.gz UDEFKXDLUPGPGP-HNNXBMFYSA-N -1 0 341.194 2.883 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820114507 597649118 /nfs/dbraw/zinc/64/91/18/597649118.db2.gz OLUFGWIASQHZRV-APPDUMDISA-N -1 0 327.340 2.523 20 30 EFEDRM CC(C)c1csc([C@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1 ZINC000820061569 597650356 /nfs/dbraw/zinc/65/03/56/597650356.db2.gz KUIQVGJBGGGYLN-SJCJKPOMSA-N -1 0 349.456 2.977 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOc1ccc2ccccc2c1 ZINC000819834489 597656739 /nfs/dbraw/zinc/65/67/39/597656739.db2.gz NZKNRZQKQGDJSU-IBGZPJMESA-N -1 0 340.379 2.729 20 30 EFEDRM Cc1cc(C=NNCCC(=O)[O-])cc(C)c1OCc1ccccn1 ZINC000820972473 597743815 /nfs/dbraw/zinc/74/38/15/597743815.db2.gz NYULVLHDAMMKRJ-UHFFFAOYSA-N -1 0 327.384 2.676 20 30 EFEDRM O=C([O-])CCNN=Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000821524725 597743988 /nfs/dbraw/zinc/74/39/88/597743988.db2.gz QKGLXJGCZRUKRT-UHFFFAOYSA-N -1 0 339.804 2.774 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])cc1 ZINC000820733136 597750582 /nfs/dbraw/zinc/75/05/82/597750582.db2.gz QOOOZSTYYBEUJD-UHFFFAOYSA-N -1 0 326.352 2.894 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CCC(C(=O)[O-])CC2)cc1F ZINC000738105689 598096532 /nfs/dbraw/zinc/09/65/32/598096532.db2.gz HCWGSISHIIXBLU-UHFFFAOYSA-N -1 0 339.392 2.752 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320474 598148708 /nfs/dbraw/zinc/14/87/08/598148708.db2.gz QJAWUBZALZPLFR-LBPRGKRZSA-N -1 0 342.738 2.999 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)NCCCC(=O)[O-])cc1 ZINC000821340513 598169703 /nfs/dbraw/zinc/16/97/03/598169703.db2.gz JMTREDYUKUCWSD-UHFFFAOYSA-N -1 0 337.379 2.889 20 30 EFEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CSCC(=O)[O-])c1C#N ZINC000820934243 598195807 /nfs/dbraw/zinc/19/58/07/598195807.db2.gz NMLWODCQWFJUEL-UHFFFAOYSA-N -1 0 343.408 2.722 20 30 EFEDRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602047 598222113 /nfs/dbraw/zinc/22/21/13/598222113.db2.gz ACBRAJCEXKHOBR-CQSZACIVSA-N -1 0 329.183 2.956 20 30 EFEDRM Cc1nc(-c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])s2)cs1 ZINC000821152535 598223025 /nfs/dbraw/zinc/22/30/25/598223025.db2.gz FFMDIYDCYHNRCE-HNNXBMFYSA-N -1 0 349.437 2.801 20 30 EFEDRM CCc1oc2ccccc2c1CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820507179 598223038 /nfs/dbraw/zinc/22/30/38/598223038.db2.gz WHLQMXNMAYHMOW-SFHVURJKSA-N -1 0 328.368 2.958 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000819855262 598223067 /nfs/dbraw/zinc/22/30/67/598223067.db2.gz AHOIJPJVANCWLX-CYBMUJFWSA-N -1 0 330.262 2.571 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Br)c1 ZINC000820115470 598223399 /nfs/dbraw/zinc/22/33/99/598223399.db2.gz WTLXYUZOYLVMCS-XPTSAGLGSA-N -1 0 339.189 2.631 20 30 EFEDRM COc1ccccc1-c1csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC000820871248 598224083 /nfs/dbraw/zinc/22/40/83/598224083.db2.gz RTEPLNAOLSJMRC-INIZCTEOSA-N -1 0 345.380 2.762 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000819855792 598224416 /nfs/dbraw/zinc/22/44/16/598224416.db2.gz DCVIGBBQKPGAAO-SFHVURJKSA-N -1 0 342.351 2.939 20 30 EFEDRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602276 598224469 /nfs/dbraw/zinc/22/44/69/598224469.db2.gz VGTBYRKLQQYPSQ-AWEZNQCLSA-N -1 0 328.290 2.668 20 30 EFEDRM Cc1cc(C)n(-c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2F)n1 ZINC000820972396 598224831 /nfs/dbraw/zinc/22/48/31/598224831.db2.gz IWZKVJHDTIRDFI-KRWDZBQOSA-N -1 0 344.346 2.571 20 30 EFEDRM Cc1nc(-c2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)oc1C ZINC000821152933 598224863 /nfs/dbraw/zinc/22/48/63/598224863.db2.gz LBNANVIQCAYUFX-KRWDZBQOSA-N -1 0 327.340 2.902 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000819811730 598224972 /nfs/dbraw/zinc/22/49/72/598224972.db2.gz VNPRQWCKPVVVRM-MRXNPFEDSA-N -1 0 338.310 2.572 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000819811915 598225485 /nfs/dbraw/zinc/22/54/85/598225485.db2.gz XDJKAYOVRDYMME-IBGZPJMESA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000819811475 598225623 /nfs/dbraw/zinc/22/56/23/598225623.db2.gz PJEFWXFVCCAKMN-QGZVFWFLSA-N -1 0 330.359 2.989 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000819856121 598226122 /nfs/dbraw/zinc/22/61/22/598226122.db2.gz GMTBKRNBNCTULW-IBGZPJMESA-N -1 0 336.347 2.861 20 30 EFEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OCC(F)F ZINC000821087780 598226392 /nfs/dbraw/zinc/22/63/92/598226392.db2.gz FGXJGCHAJPAKGF-OAHLLOKOSA-N -1 0 326.299 2.582 20 30 EFEDRM COc1cc2nc(C)sc2cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820804993 598226471 /nfs/dbraw/zinc/22/64/71/598226471.db2.gz GKYPDYXXNZDUEL-HNNXBMFYSA-N -1 0 333.369 2.556 20 30 EFEDRM Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cccc1OCC(F)(F)F ZINC000820945359 598226600 /nfs/dbraw/zinc/22/66/00/598226600.db2.gz WLWKLPNDWGLBAH-CQSZACIVSA-N -1 0 344.289 2.879 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000819857430 598227280 /nfs/dbraw/zinc/22/72/80/598227280.db2.gz XIOBCBKGTBQVLB-GOSISDBHSA-N -1 0 349.350 2.568 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000819811769 598228850 /nfs/dbraw/zinc/22/88/50/598228850.db2.gz VXBBJKWGVMVLMW-CXAGYDPISA-N -1 0 332.425 2.632 20 30 EFEDRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000819914827 598228889 /nfs/dbraw/zinc/22/88/89/598228889.db2.gz ICGXZNPKBSVDOT-GOSISDBHSA-N -1 0 346.383 2.514 20 30 EFEDRM Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(OC(C)(C)C)c1 ZINC000821079048 598230074 /nfs/dbraw/zinc/23/00/74/598230074.db2.gz IDGBBUGHSGPTAP-SFHVURJKSA-N -1 0 332.400 2.793 20 30 EFEDRM CC(C)COc1ccc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819979961 598230159 /nfs/dbraw/zinc/23/01/59/598230159.db2.gz AUPLWJBOVLDVMA-SCLBCKFNSA-N -1 0 332.400 2.903 20 30 EFEDRM Cc1ccnc(Oc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000821130426 598230235 /nfs/dbraw/zinc/23/02/35/598230235.db2.gz FUVWFXRHUTWKLE-QGZVFWFLSA-N -1 0 340.339 2.520 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000820205941 598230716 /nfs/dbraw/zinc/23/07/16/598230716.db2.gz JHOLLKVQPMINLT-SJKOYZFVSA-N -1 0 334.347 2.549 20 30 EFEDRM CCCCC(COC)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000736439784 599535241 /nfs/dbraw/zinc/53/52/41/599535241.db2.gz YVEYZAOLJFYACD-UHFFFAOYSA-N -1 0 335.412 2.757 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cn2)cc1 ZINC000739129800 599722243 /nfs/dbraw/zinc/72/22/43/599722243.db2.gz DTGSESCFWMJFQO-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM C[C@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000736692036 599730449 /nfs/dbraw/zinc/73/04/49/599730449.db2.gz SMISCPPFLMHGKF-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CCCNC(=O)[O-])c1 ZINC000736090742 599731581 /nfs/dbraw/zinc/73/15/81/599731581.db2.gz IYYHQIQCLJNPIK-UHFFFAOYSA-N -1 0 326.352 2.842 20 30 EFEDRM C=CCOCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736109273 599749115 /nfs/dbraw/zinc/74/91/15/599749115.db2.gz FIVOIFMPVHCCOC-CYBMUJFWSA-N -1 0 332.183 2.780 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000738535142 599780754 /nfs/dbraw/zinc/78/07/54/599780754.db2.gz BANZPTVVKXEOQO-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM CC[C@@](C)(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736861682 599796858 /nfs/dbraw/zinc/79/68/58/599796858.db2.gz SOQXLEJABCPYEB-GOSISDBHSA-N -1 0 342.351 2.713 20 30 EFEDRM O=C([O-])N1CCC[C@@H](/N=C/c2cc(Br)ccc2O)C1 ZINC000739925100 599801503 /nfs/dbraw/zinc/80/15/03/599801503.db2.gz UHHKQWHMGGFLQT-LBMJDHPKSA-N -1 0 327.178 2.716 20 30 EFEDRM CC(C)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736385235 599803514 /nfs/dbraw/zinc/80/35/14/599803514.db2.gz OPONYABIKSFHIT-INIZCTEOSA-N -1 0 342.351 2.569 20 30 EFEDRM C=CCn1c2ncn(Cc3cc(C(=O)[O-])co3)c(=O)c2sc1=S ZINC000736118226 599803762 /nfs/dbraw/zinc/80/37/62/599803762.db2.gz SBWDEFDXDOODKU-UHFFFAOYSA-N -1 0 349.393 2.514 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000738544011 599804004 /nfs/dbraw/zinc/80/40/04/599804004.db2.gz WQZIXAUVMAYDRY-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736433016 599813559 /nfs/dbraw/zinc/81/35/59/599813559.db2.gz ZBLBDUDQTDZWQU-MRXNPFEDSA-N -1 0 331.416 2.835 20 30 EFEDRM C#CCOc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000736088740 599833783 /nfs/dbraw/zinc/83/37/83/599833783.db2.gz CPZJEWUDEJFNTD-UHFFFAOYSA-N -1 0 340.291 2.557 20 30 EFEDRM C#CCOc1cccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736090101 599833822 /nfs/dbraw/zinc/83/38/22/599833822.db2.gz VIXQDCCKORFWNV-UHFFFAOYSA-N -1 0 348.358 2.990 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000739122659 599836257 /nfs/dbraw/zinc/83/62/57/599836257.db2.gz JGBXYDYDXNLXOW-KRWDZBQOSA-N -1 0 335.363 2.864 20 30 EFEDRM CN(C(=O)CNc1cccc(F)c1C(=O)[O-])C1(C#N)CCCCC1 ZINC000737322675 599856067 /nfs/dbraw/zinc/85/60/67/599856067.db2.gz RAGOZUFDOIOXSI-UHFFFAOYSA-N -1 0 333.363 2.621 20 30 EFEDRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738321107 599868570 /nfs/dbraw/zinc/86/85/70/599868570.db2.gz YOUKMRIMFIDPGI-UHFFFAOYSA-N -1 0 339.395 2.903 20 30 EFEDRM C=CCOCC(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736109210 599870959 /nfs/dbraw/zinc/87/09/59/599870959.db2.gz AUYFPQJTRDGODC-UHFFFAOYSA-N -1 0 333.365 2.754 20 30 EFEDRM Cc1ncc(CO)c(C=Nc2cccc(CSCC(=O)[O-])c2)c1O ZINC000738885850 599891463 /nfs/dbraw/zinc/89/14/63/599891463.db2.gz WVXFMWZCGVGSAQ-UHFFFAOYSA-N -1 0 346.408 2.656 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000739117266 599904688 /nfs/dbraw/zinc/90/46/88/599904688.db2.gz CHPCZWFAMCYRPL-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000739131633 599905167 /nfs/dbraw/zinc/90/51/67/599905167.db2.gz CQLZSONVOIQGHU-IMJJTQAJSA-N -1 0 344.436 2.895 20 30 EFEDRM Cc1ccc(F)c(NC(=S)NN=Cc2cc(C(=O)[O-])ccc2O)c1 ZINC000738604526 599906836 /nfs/dbraw/zinc/90/68/36/599906836.db2.gz VNSAMUVIERWIMI-UHFFFAOYSA-N -1 0 347.371 2.858 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000736089421 599908154 /nfs/dbraw/zinc/90/81/54/599908154.db2.gz KVCUYXAWIAPLPI-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C=CCn1c(SCCC(=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC000736117971 599927729 /nfs/dbraw/zinc/92/77/29/599927729.db2.gz PIXVMRSYLFBTCO-CYBMUJFWSA-N -1 0 347.396 2.543 20 30 EFEDRM N#Cc1cccc(OCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000739134175 599932624 /nfs/dbraw/zinc/93/26/24/599932624.db2.gz XPXFDSISEDXHFJ-QGZVFWFLSA-N -1 0 338.363 2.659 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000738278082 599939345 /nfs/dbraw/zinc/93/93/45/599939345.db2.gz PMJOYKBEKBGJGA-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM C#Cc1cccc(N(C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000736090704 599964605 /nfs/dbraw/zinc/96/46/05/599964605.db2.gz HNIAKBSKPCXRDW-UHFFFAOYSA-N -1 0 337.379 2.510 20 30 EFEDRM N#Cc1ccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739121039 599982716 /nfs/dbraw/zinc/98/27/16/599982716.db2.gz JWTRIIHPSKHYQQ-AWEZNQCLSA-N -1 0 341.342 2.762 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=S)N1 ZINC000736975927 599985742 /nfs/dbraw/zinc/98/57/42/599985742.db2.gz VGMVCOZENLGJIZ-ZUZCIYMTSA-N -1 0 345.424 2.635 20 30 EFEDRM C#Cc1cccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000736091572 599993377 /nfs/dbraw/zinc/99/33/77/599993377.db2.gz YRVSNDRPTSLJHK-OAHLLOKOSA-N -1 0 340.354 2.872 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000737012338 599993590 /nfs/dbraw/zinc/99/35/90/599993590.db2.gz PFELJVIROTYYHK-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000739128667 599996835 /nfs/dbraw/zinc/99/68/35/599996835.db2.gz GGSVKJHOPCLQBK-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000109195929 600029134 /nfs/dbraw/zinc/02/91/34/600029134.db2.gz YWJRPYCEUFLQKF-XVNBXDOJSA-N -1 0 337.253 2.988 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)nc1 ZINC000736093747 600060510 /nfs/dbraw/zinc/06/05/10/600060510.db2.gz ZLPWJWRWZBPDSS-UHFFFAOYSA-N -1 0 326.377 2.954 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)nc1 ZINC000736092633 600061093 /nfs/dbraw/zinc/06/10/93/600061093.db2.gz IJSDENKATWAYRA-UHFFFAOYSA-N -1 0 335.363 2.614 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)nc1 ZINC000736092535 600063157 /nfs/dbraw/zinc/06/31/57/600063157.db2.gz HGFWWWABMWDAIR-MRXNPFEDSA-N -1 0 340.404 2.731 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739075508 600066938 /nfs/dbraw/zinc/06/69/38/600066938.db2.gz GOSDVNGYOYTRKW-UHFFFAOYSA-N -1 0 326.352 2.853 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739139823 600101031 /nfs/dbraw/zinc/10/10/31/600101031.db2.gz KNPHHBLUJMUMIG-UHFFFAOYSA-N -1 0 335.316 2.588 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736708634 600113698 /nfs/dbraw/zinc/11/36/98/600113698.db2.gz VDXPFZOEZXJLEF-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C#CCOc1cccc(COC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000736089724 600121950 /nfs/dbraw/zinc/12/19/50/600121950.db2.gz PCNDELSXZCAINV-UHFFFAOYSA-N -1 0 340.331 2.519 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C2\COc3ccc(F)cc32)cc1 ZINC000739819592 600146934 /nfs/dbraw/zinc/14/69/34/600146934.db2.gz UOULNUFOQBSFKX-KPKJPENVSA-N -1 0 328.295 2.948 20 30 EFEDRM O=C([O-])c1ccc(C=NNC(=S)NCc2ccc(F)cc2)cc1 ZINC000730560394 600166468 /nfs/dbraw/zinc/16/64/68/600166468.db2.gz XSIBSBQXNMAKPY-UHFFFAOYSA-N -1 0 331.372 2.522 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000737097332 600194923 /nfs/dbraw/zinc/19/49/23/600194923.db2.gz PNMRDGVFBVBBHM-UHFFFAOYSA-N -1 0 339.351 2.682 20 30 EFEDRM CC[C@](C)(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736861905 600196813 /nfs/dbraw/zinc/19/68/13/600196813.db2.gz XUTPAAVZQPYZFM-SFHVURJKSA-N -1 0 339.351 2.729 20 30 EFEDRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736861904 600196873 /nfs/dbraw/zinc/19/68/73/600196873.db2.gz XUTPAAVZQPYZFM-GOSISDBHSA-N -1 0 339.351 2.729 20 30 EFEDRM N#Cc1ccc2ncc(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)n2c1 ZINC000739131605 600246368 /nfs/dbraw/zinc/24/63/68/600246368.db2.gz AVMLUKZLSRFAAP-DAXSKMNVSA-N -1 0 347.330 2.565 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000738433467 600249334 /nfs/dbraw/zinc/24/93/34/600249334.db2.gz DJXUYLGVOSFYCR-UHFFFAOYSA-N -1 0 344.411 2.821 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000736849238 600262792 /nfs/dbraw/zinc/26/27/92/600262792.db2.gz QIJJTDTZMWRGIB-HOCLYGCPSA-N -1 0 347.415 2.666 20 30 EFEDRM O=C([O-])N1C/C(=C\c2nccs2)C(=O)/C(=C/c2nccs2)C1 ZINC000740308045 600274571 /nfs/dbraw/zinc/27/45/71/600274571.db2.gz SWICWAAZJWXITH-NXZHAISVSA-N -1 0 333.394 2.629 20 30 EFEDRM C=CCN(CC=C)C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000736107931 600277030 /nfs/dbraw/zinc/27/70/30/600277030.db2.gz BASCFGCNGUHWJV-UHFFFAOYSA-N -1 0 332.381 2.819 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739088482 600296731 /nfs/dbraw/zinc/29/67/31/600296731.db2.gz RUONBGISVVFWML-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739146521 600320600 /nfs/dbraw/zinc/32/06/00/600320600.db2.gz GTBMHALENBUQEX-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736674518 600326818 /nfs/dbraw/zinc/32/68/18/600326818.db2.gz ZBXGXXJJECAYLX-CYBMUJFWSA-N -1 0 344.415 2.597 20 30 EFEDRM C[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000736641014 600336253 /nfs/dbraw/zinc/33/62/53/600336253.db2.gz BAYYJVIJLUPMPK-DOMZBBRYSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000736641018 600336429 /nfs/dbraw/zinc/33/64/29/600336429.db2.gz BAYYJVIJLUPMPK-SWLSCSKDSA-N -1 0 327.384 2.516 20 30 EFEDRM CN(Cc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737480439 600341974 /nfs/dbraw/zinc/34/19/74/600341974.db2.gz OPBUILWHDSUYEO-UHFFFAOYSA-N -1 0 338.367 2.990 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000736095783 600345423 /nfs/dbraw/zinc/34/54/23/600345423.db2.gz BGKHNLSVFIVSGS-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM N#Cc1ccc(CSCc2noc(CCCC(=O)[O-])n2)c(F)c1 ZINC000739119136 600354456 /nfs/dbraw/zinc/35/44/56/600354456.db2.gz YHMTXDSPEXZNQN-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000736097006 600354542 /nfs/dbraw/zinc/35/45/42/600354542.db2.gz VFPAEZQYGJOPNE-UHFFFAOYSA-N -1 0 332.356 2.601 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736575381 600360402 /nfs/dbraw/zinc/36/04/02/600360402.db2.gz MZROJDRGWXBGEP-LBPRGKRZSA-N -1 0 339.351 2.538 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccccc1C#N)c1ccccc1 ZINC000736851832 600379995 /nfs/dbraw/zinc/37/99/95/600379995.db2.gz KYXLICGGVIXLLG-INIZCTEOSA-N -1 0 338.363 2.833 20 30 EFEDRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccccc1C#N)c1ccccc1 ZINC000736851836 600380085 /nfs/dbraw/zinc/38/00/85/600380085.db2.gz KYXLICGGVIXLLG-MRXNPFEDSA-N -1 0 338.363 2.833 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739121043 600389978 /nfs/dbraw/zinc/38/99/78/600389978.db2.gz JXBYZUZASXFBRE-CYBMUJFWSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000739121148 600397888 /nfs/dbraw/zinc/39/78/88/600397888.db2.gz LIGVDSCSENRCFB-QGZVFWFLSA-N -1 0 335.363 2.991 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000739086173 600402321 /nfs/dbraw/zinc/40/23/21/600402321.db2.gz GKHVPQLZGLDBIQ-UHFFFAOYSA-N -1 0 347.374 2.740 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000739077573 600405935 /nfs/dbraw/zinc/40/59/35/600405935.db2.gz RFGCSZLPAMZBED-UHFFFAOYSA-N -1 0 345.182 2.589 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000739077104 600406742 /nfs/dbraw/zinc/40/67/42/600406742.db2.gz HPVJXXOFRWBAGP-UHFFFAOYSA-N -1 0 329.183 2.753 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000739078699 600407005 /nfs/dbraw/zinc/40/70/05/600407005.db2.gz KVYDXNYTXZZUIX-UHFFFAOYSA-N -1 0 326.377 2.564 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000739086527 600410058 /nfs/dbraw/zinc/41/00/58/600410058.db2.gz HAYCZIBYZNRSBY-UHFFFAOYSA-N -1 0 328.299 2.668 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000736544225 600440025 /nfs/dbraw/zinc/44/00/25/600440025.db2.gz BPZMMQKQEHHSQB-TZMCWYRMSA-N -1 0 347.440 2.568 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737840188 600443197 /nfs/dbraw/zinc/44/31/97/600443197.db2.gz SDIZSTBUYXAPCC-HNNXBMFYSA-N -1 0 331.299 2.789 20 30 EFEDRM CC(C)N(CCC(=O)[O-])CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736465353 600444596 /nfs/dbraw/zinc/44/45/96/600444596.db2.gz AIVVVDLWPLFNEB-GFCCVEGCSA-N -1 0 345.424 2.658 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736708609 600450209 /nfs/dbraw/zinc/45/02/09/600450209.db2.gz UYDHFAZGLKQWHE-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM C=CCOc1ccccc1C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736113902 600468185 /nfs/dbraw/zinc/46/81/85/600468185.db2.gz GZBMVTQSQPNRPD-UHFFFAOYSA-N -1 0 332.381 2.612 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)cc1OC ZINC000737951585 600494708 /nfs/dbraw/zinc/49/47/08/600494708.db2.gz WUFZMSMMKJIZHU-UZPSYVQNSA-N -1 0 345.351 2.750 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNc2cccc(C(F)(F)F)n2)c1 ZINC000740160818 600516545 /nfs/dbraw/zinc/51/65/45/600516545.db2.gz LBFJHJMGRJZRBE-UHFFFAOYSA-N -1 0 325.246 2.950 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000738432692 600523283 /nfs/dbraw/zinc/52/32/83/600523283.db2.gz OXGRYTWZGUEMED-MRXNPFEDSA-N -1 0 336.351 2.866 20 30 EFEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737062723 600552495 /nfs/dbraw/zinc/55/24/95/600552495.db2.gz VAKGLCXBZMSQDO-NSHDSACASA-N -1 0 348.380 2.621 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000739103409 600561754 /nfs/dbraw/zinc/56/17/54/600561754.db2.gz ASKOIGYOSPYVHR-IBGZPJMESA-N -1 0 335.407 2.502 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)cc1 ZINC000739107625 600562964 /nfs/dbraw/zinc/56/29/64/600562964.db2.gz YEJIBTORTAGXSU-QGZVFWFLSA-N -1 0 341.436 2.563 20 30 EFEDRM CCOc1ccc(/C=N\Cc2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000737199289 600567342 /nfs/dbraw/zinc/56/73/42/600567342.db2.gz JQIASEQUDPZJML-ODLFYWEKSA-N -1 0 329.352 2.873 20 30 EFEDRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736764691 600586925 /nfs/dbraw/zinc/58/69/25/600586925.db2.gz VZTWNOSXWYAMLT-BTJONVMOSA-N -1 0 326.462 2.902 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736097270 600588363 /nfs/dbraw/zinc/58/83/63/600588363.db2.gz BXDOOWCBMBONGC-UHFFFAOYSA-N -1 0 325.430 2.893 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2cccc(CN3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739110108 600593114 /nfs/dbraw/zinc/59/31/14/600593114.db2.gz OPBKDUPRVRBJFX-LJQANCHMSA-N -1 0 349.390 2.918 20 30 EFEDRM N#Cc1ccc([C@H](Nc2cccc(CN3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739110106 600593205 /nfs/dbraw/zinc/59/32/05/600593205.db2.gz OPBKDUPRVRBJFX-IBGZPJMESA-N -1 0 349.390 2.918 20 30 EFEDRM COCCOc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737821610 600594786 /nfs/dbraw/zinc/59/47/86/600594786.db2.gz PRUVVSGIVMYYNJ-KRWDZBQOSA-N -1 0 326.352 2.821 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(N3CCOC3=O)cc2)C(=O)[O-])cc1 ZINC000739109711 600596716 /nfs/dbraw/zinc/59/67/16/600596716.db2.gz MQWZPRBMIIZJDY-MRXNPFEDSA-N -1 0 337.335 2.753 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])cc1 ZINC000739112260 600599751 /nfs/dbraw/zinc/59/97/51/600599751.db2.gz YMXQPPGJECUVIA-ROUUACIJSA-N -1 0 338.363 2.964 20 30 EFEDRM C[C@@H](CS[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(=O)[O-] ZINC000736760308 600600085 /nfs/dbraw/zinc/60/00/85/600600085.db2.gz CBBIXIXPIYPXBZ-BWAOXVRWSA-N -1 0 326.462 2.760 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccccc3oc2=O)C(=O)[O-])cc1 ZINC000739115098 600605220 /nfs/dbraw/zinc/60/52/20/600605220.db2.gz NSZGZZLRBRZKOQ-MRXNPFEDSA-N -1 0 349.298 2.647 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737948873 600605533 /nfs/dbraw/zinc/60/55/33/600605533.db2.gz PDKLJJQFQZDOLC-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000736193736 600606202 /nfs/dbraw/zinc/60/62/02/600606202.db2.gz ZTKKRVXUNFYNLD-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccccc3)[nH]n2)C(=O)[O-])cc1 ZINC000739114596 600606961 /nfs/dbraw/zinc/60/69/61/600606961.db2.gz IUBGJZJUPXXTLF-KRWDZBQOSA-N -1 0 347.330 2.931 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2Cc3ccccc3S2)C(=O)[O-])cc1 ZINC000739109422 600607036 /nfs/dbraw/zinc/60/70/36/600607036.db2.gz KXUOQNHQALQEGZ-HZPDHXFCSA-N -1 0 339.372 2.944 20 30 EFEDRM C=CCOCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736109556 600607761 /nfs/dbraw/zinc/60/77/61/600607761.db2.gz OVYQXUTXQCNBFO-UHFFFAOYSA-N -1 0 346.210 2.652 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc3c(c2)CCC3)C(=O)[O-])cc1 ZINC000739115136 600608133 /nfs/dbraw/zinc/60/81/33/600608133.db2.gz NXZNTTYBVMDKCB-IBGZPJMESA-N -1 0 335.359 2.959 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Br)c[nH]2)C(=O)[O-])cc1 ZINC000739114681 600608980 /nfs/dbraw/zinc/60/89/80/600608980.db2.gz KFXIVECWWDZDFT-GFCCVEGCSA-N -1 0 349.140 2.632 20 30 EFEDRM COc1cccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738094519 600609661 /nfs/dbraw/zinc/60/96/61/600609661.db2.gz KRWAOBRFKISLHX-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)[O-])cc1 ZINC000739110906 600609924 /nfs/dbraw/zinc/60/99/24/600609924.db2.gz SDRYPYZENKZBMF-QGZVFWFLSA-N -1 0 335.315 2.703 20 30 EFEDRM Cc1ccc(C)c(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738577159 600609955 /nfs/dbraw/zinc/60/99/55/600609955.db2.gz OZBZLZIAXHSUPP-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM C[C@H](Oc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736704599 600610408 /nfs/dbraw/zinc/61/04/08/600610408.db2.gz UIEZXBHGBMHLAY-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000739117142 600610473 /nfs/dbraw/zinc/61/04/73/600610473.db2.gz IUAJTESMPWFVFP-GOSISDBHSA-N -1 0 334.331 2.732 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000739117144 600610543 /nfs/dbraw/zinc/61/05/43/600610543.db2.gz IUAJTESMPWFVFP-SFHVURJKSA-N -1 0 334.331 2.732 20 30 EFEDRM Cc1nc2ccccc2n1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738875641 600611983 /nfs/dbraw/zinc/61/19/83/600611983.db2.gz DYOWOECINOBTRS-GOSISDBHSA-N -1 0 349.346 2.586 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(O)c1C ZINC000738546317 600613051 /nfs/dbraw/zinc/61/30/51/600613051.db2.gz SMRMKMJEUSLNQS-MRXNPFEDSA-N -1 0 325.320 2.863 20 30 EFEDRM CN(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737376482 600614779 /nfs/dbraw/zinc/61/47/79/600614779.db2.gz FWDKIAFCOHIEFH-MRXNPFEDSA-N -1 0 342.326 2.746 20 30 EFEDRM CCc1ccc(O)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737267253 600615581 /nfs/dbraw/zinc/61/55/81/600615581.db2.gz FEWTZJIUHJFKBH-MRXNPFEDSA-N -1 0 325.320 2.809 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736785202 600617631 /nfs/dbraw/zinc/61/76/31/600617631.db2.gz OAOLEKIJMAPOGA-PVUWLOKVSA-N -1 0 331.368 2.822 20 30 EFEDRM Cc1ncc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000738884307 600617662 /nfs/dbraw/zinc/61/76/62/600617662.db2.gz WKEWVXNWVCEACW-LQYUOIDQSA-N -1 0 328.349 2.706 20 30 EFEDRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736785206 600618521 /nfs/dbraw/zinc/61/85/21/600618521.db2.gz OAOLEKIJMAPOGA-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736698207 600648606 /nfs/dbraw/zinc/64/86/06/600648606.db2.gz NZWNHAMMQDNCJT-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C#Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000825636691 600661007 /nfs/dbraw/zinc/66/10/07/600661007.db2.gz PYJAKZDNAYSXPZ-UHFFFAOYSA-N -1 0 345.738 2.650 20 30 EFEDRM COc1cc(C#N)ccc1OCCSc1ncccc1C(=O)[O-] ZINC000737844681 600686919 /nfs/dbraw/zinc/68/69/19/600686919.db2.gz QNFKPDLECLCAPO-UHFFFAOYSA-N -1 0 330.365 2.831 20 30 EFEDRM C#CCOc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000825631334 600691994 /nfs/dbraw/zinc/69/19/94/600691994.db2.gz BLZPOMSBMLAJSG-UHFFFAOYSA-N -1 0 328.295 2.893 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738319524 600693785 /nfs/dbraw/zinc/69/37/85/600693785.db2.gz LTNLSZAXFJVIRA-UHFFFAOYSA-N -1 0 349.343 2.897 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832958294 600707478 /nfs/dbraw/zinc/70/74/78/600707478.db2.gz SSWMBSHEFZUTOM-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])s1 ZINC000738474729 600722330 /nfs/dbraw/zinc/72/23/30/600722330.db2.gz PKCHOESFROXCQQ-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM COC(=O)c1sc(N)c(C(=O)[O-])c1CSc1ccccc1C#N ZINC000831476609 600729539 /nfs/dbraw/zinc/72/95/39/600729539.db2.gz YSVRUMMYXSQUKN-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)CC(C)(C)C)ccc1C(=O)[O-] ZINC000832901279 600741107 /nfs/dbraw/zinc/74/11/07/600741107.db2.gz QSFDCBWBFVWWLU-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccncc1 ZINC000825664832 600750468 /nfs/dbraw/zinc/75/04/68/600750468.db2.gz MXQIUKWUZLFIEN-MRXNPFEDSA-N -1 0 346.408 2.684 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832859455 600777699 /nfs/dbraw/zinc/77/76/99/600777699.db2.gz QCAQBRJMZCPOHC-UHFFFAOYSA-N -1 0 345.376 2.570 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC000825636171 600803338 /nfs/dbraw/zinc/80/33/38/600803338.db2.gz DMWUXZDTQAIFSX-OAHLLOKOSA-N -1 0 328.755 2.662 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675206 600808023 /nfs/dbraw/zinc/80/80/23/600808023.db2.gz ZNKNVDDZAJGDMZ-RISCZKNCSA-N -1 0 325.792 2.953 20 30 EFEDRM N#Cc1cc(NC2CCN(C(=O)[O-])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000738425924 600810461 /nfs/dbraw/zinc/81/04/61/600810461.db2.gz QHPWXWUJBOZRRR-UHFFFAOYSA-N -1 0 341.327 2.569 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000825625681 600810693 /nfs/dbraw/zinc/81/06/93/600810693.db2.gz LGJPSJZQQYOABS-UHFFFAOYSA-N -1 0 349.343 2.565 20 30 EFEDRM C=CCOCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000825699263 600854492 /nfs/dbraw/zinc/85/44/92/600854492.db2.gz VLADSERZSLWVCZ-UHFFFAOYSA-N -1 0 332.400 2.906 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000739092982 600858457 /nfs/dbraw/zinc/85/84/57/600858457.db2.gz YCTNESPCGSKRER-CYBMUJFWSA-N -1 0 336.347 2.808 20 30 EFEDRM CC(C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736225425 600868251 /nfs/dbraw/zinc/86/82/51/600868251.db2.gz WUVKMTSAPPRXSV-UHFFFAOYSA-N -1 0 329.125 2.775 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736075680 600878218 /nfs/dbraw/zinc/87/82/18/600878218.db2.gz AZCHUNFJGOHECA-UHFFFAOYSA-N -1 0 343.310 2.553 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736089876 600884494 /nfs/dbraw/zinc/88/44/94/600884494.db2.gz RHTQGPKNODZLSW-UHFFFAOYSA-N -1 0 343.310 2.553 20 30 EFEDRM CCc1[nH]c(C(=O)NCc2cc(C#N)ccc2F)c(C)c1C(=O)[O-] ZINC000830197633 600899236 /nfs/dbraw/zinc/89/92/36/600899236.db2.gz YLJGUQHSBYMJJU-UHFFFAOYSA-N -1 0 329.331 2.525 20 30 EFEDRM N#Cc1ccc(NCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739120994 600910723 /nfs/dbraw/zinc/91/07/23/600910723.db2.gz IUPXWAREPUXWGB-AWEZNQCLSA-N -1 0 335.363 2.575 20 30 EFEDRM CON=Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737840177 600911835 /nfs/dbraw/zinc/91/18/35/600911835.db2.gz RFPPFLPJCZGMAO-OAHLLOKOSA-N -1 0 338.363 2.886 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000362773470 600919972 /nfs/dbraw/zinc/91/99/72/600919972.db2.gz MIDMKCCQRUWWJX-HNNXBMFYSA-N -1 0 334.441 2.655 20 30 EFEDRM Cc1cc(C)n2nc(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)nc2n1 ZINC000738377960 600935428 /nfs/dbraw/zinc/93/54/28/600935428.db2.gz BPYBDEMTQXQTSF-ZDUSSCGKSA-N -1 0 339.380 2.531 20 30 EFEDRM COCCn1c(C)c(C)nc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737826632 600937347 /nfs/dbraw/zinc/93/73/47/600937347.db2.gz LXRLJYDAHKREDW-OAHLLOKOSA-N -1 0 345.424 2.936 20 30 EFEDRM CS(=O)(=O)c1ccc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738177516 600937367 /nfs/dbraw/zinc/93/73/67/600937367.db2.gz QLCIEOLSCHHMJP-HNNXBMFYSA-N -1 0 347.417 2.880 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000825631300 600945666 /nfs/dbraw/zinc/94/56/66/600945666.db2.gz AUNWZRZFGRARCM-UHFFFAOYSA-N -1 0 338.315 2.819 20 30 EFEDRM COC(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1C(=O)[O-] ZINC000831259156 600951687 /nfs/dbraw/zinc/95/16/87/600951687.db2.gz YKAHLKZUCRJPRV-UHFFFAOYSA-N -1 0 330.340 2.584 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2nc(-c3ccccn3)nc3c2CCC3)o1 ZINC000740122414 600981765 /nfs/dbraw/zinc/98/17/65/600981765.db2.gz CISRFXQGOPSERG-UHFFFAOYSA-N -1 0 349.350 2.765 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN[C@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000821329962 600997695 /nfs/dbraw/zinc/99/76/95/600997695.db2.gz PWGJOJJPSNDQPI-INIZCTEOSA-N -1 0 334.335 2.524 20 30 EFEDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc3ccccc3n2CC#N)n1 ZINC000738722719 601015374 /nfs/dbraw/zinc/01/53/74/601015374.db2.gz MVBRXYPUMVHIIJ-UHFFFAOYSA-N -1 0 348.362 2.600 20 30 EFEDRM N#Cc1cccc(OCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000739134048 601027518 /nfs/dbraw/zinc/02/75/18/601027518.db2.gz UBERDOXIYDDNGG-UHFFFAOYSA-N -1 0 342.326 2.584 20 30 EFEDRM CCCCN1C(=O)N[C@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736993918 601045148 /nfs/dbraw/zinc/04/51/48/601045148.db2.gz KZJCLZCISGETSH-MRXNPFEDSA-N -1 0 343.383 2.792 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000831841646 601057159 /nfs/dbraw/zinc/05/71/59/601057159.db2.gz JHFQEXRARRYAOF-OAHLLOKOSA-N -1 0 331.299 2.789 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000818624680 601085742 /nfs/dbraw/zinc/08/57/42/601085742.db2.gz WXMJFLJPBCGXIX-GFCCVEGCSA-N -1 0 336.363 2.706 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])nc1 ZINC000825636123 601094778 /nfs/dbraw/zinc/09/47/78/601094778.db2.gz CUUHLGMFAMIPCY-DOTOQJQBSA-N -1 0 326.396 2.559 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])nc1 ZINC000825636124 601094782 /nfs/dbraw/zinc/09/47/82/601094782.db2.gz CUUHLGMFAMIPCY-NVXWUHKLSA-N -1 0 326.396 2.559 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827896749 601099986 /nfs/dbraw/zinc/09/99/86/601099986.db2.gz ZGKDCLCTUXEPCO-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc(-c2nnc(COC(=O)c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000821329888 601110351 /nfs/dbraw/zinc/11/03/51/601110351.db2.gz NJKRCVQHGUQNQD-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC000737049306 601112610 /nfs/dbraw/zinc/11/26/10/601112610.db2.gz FAJSYCZENNIHHR-JTQLQIEISA-N -1 0 345.380 2.533 20 30 EFEDRM N#C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC000833064618 601139862 /nfs/dbraw/zinc/13/98/62/601139862.db2.gz TUDLJSBRQJSOSU-INIZCTEOSA-N -1 0 339.395 2.928 20 30 EFEDRM N#C[C@H](COC(=O)c1cccc(OCC(=O)[O-])c1)Cc1ccccc1 ZINC000833063886 601144784 /nfs/dbraw/zinc/14/47/84/601144784.db2.gz MUMNJDBFLMTEQH-OAHLLOKOSA-N -1 0 339.347 2.689 20 30 EFEDRM O=C([O-])NCCCC(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000833280062 601175300 /nfs/dbraw/zinc/17/53/00/601175300.db2.gz FVTTVCJFITXUSY-UHFFFAOYSA-N -1 0 329.274 2.648 20 30 EFEDRM N#CCc1ccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013088650 601207432 /nfs/dbraw/zinc/20/74/32/601207432.db2.gz MDFDGHRSPPIXMS-BJMVGYQFSA-N -1 0 343.360 2.618 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830253865 601236091 /nfs/dbraw/zinc/23/60/91/601236091.db2.gz OSIRVBPVNGPREM-IJEWVQPXSA-N -1 0 342.395 2.787 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000825637002 601237140 /nfs/dbraw/zinc/23/71/40/601237140.db2.gz ZWZKFUABKJQRBT-FMIVXFBMSA-N -1 0 341.388 2.591 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000832915071 601262832 /nfs/dbraw/zinc/26/28/32/601262832.db2.gz GWDWUSDYIUOKNJ-CYBMUJFWSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832910325 601265581 /nfs/dbraw/zinc/26/55/81/601265581.db2.gz AOEHXUJRAPHYRZ-CYBMUJFWSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc(N[C@@H]2CCN(c3sccc3C#N)C2=O)ccc1C(=O)[O-] ZINC000832896286 601265652 /nfs/dbraw/zinc/26/56/52/601265652.db2.gz DXXKOCYZSDGEOA-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000828810878 601268427 /nfs/dbraw/zinc/26/84/27/601268427.db2.gz UPBWKMZQHWYCCW-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@H]1Oc2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2NC1=O ZINC000828520743 601298360 /nfs/dbraw/zinc/29/83/60/601298360.db2.gz AESLBXRDCTWEIW-QLJPJBMISA-N -1 0 337.335 2.515 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(Cl)c(C(N)=O)c2)C(=O)[O-])c1 ZINC000833076827 601300470 /nfs/dbraw/zinc/30/04/70/601300470.db2.gz ZTQFCDIYRDXFRU-CQSZACIVSA-N -1 0 329.743 2.548 20 30 EFEDRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831779409 601301021 /nfs/dbraw/zinc/30/10/21/601301021.db2.gz MLYZTGHCRQGHMJ-QGZVFWFLSA-N -1 0 326.352 2.821 20 30 EFEDRM COc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1NC(C)=O ZINC000832027199 601301087 /nfs/dbraw/zinc/30/10/87/601301087.db2.gz VHKZFHHCYVLIDS-QGZVFWFLSA-N -1 0 339.351 2.763 20 30 EFEDRM CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1CO ZINC000830084809 601301822 /nfs/dbraw/zinc/30/18/22/601301822.db2.gz MTLZJPPDURBANR-QGZVFWFLSA-N -1 0 326.352 2.687 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831085206 601303136 /nfs/dbraw/zinc/30/31/36/601303136.db2.gz XOALPDDYNSKZAN-INIZCTEOSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832971603 601310262 /nfs/dbraw/zinc/31/02/62/601310262.db2.gz QLXJGZLKBNSGME-IBGZPJMESA-N -1 0 335.407 2.815 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833024694 601310391 /nfs/dbraw/zinc/31/03/91/601310391.db2.gz RFKREFFMRZFUST-UHFFFAOYSA-N -1 0 338.323 2.539 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1OC ZINC000825698832 601316893 /nfs/dbraw/zinc/31/68/93/601316893.db2.gz MVGSDLBMBCLNTD-UHFFFAOYSA-N -1 0 330.340 2.549 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)nnn1-c1ccc(F)cc1 ZINC000832848588 601331625 /nfs/dbraw/zinc/33/16/25/601331625.db2.gz IEGYGKBEAIGQSO-WEVVVXLNSA-N -1 0 340.314 2.637 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)[nH]1 ZINC000833094103 601331882 /nfs/dbraw/zinc/33/18/82/601331882.db2.gz FASSJTMMRYCPIP-XBXARRHUSA-N -1 0 340.379 2.570 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831841806 601343437 /nfs/dbraw/zinc/34/34/37/601343437.db2.gz PTVLNDFIMBAWOR-INIZCTEOSA-N -1 0 338.319 2.521 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894881 601343735 /nfs/dbraw/zinc/34/37/35/601343735.db2.gz BTRLZAAQRVIBGR-MLGOLLRUSA-N -1 0 325.320 2.695 20 30 EFEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1OC ZINC000832522738 601344236 /nfs/dbraw/zinc/34/42/36/601344236.db2.gz CRUXIVOYANWLHR-OAHLLOKOSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1ccc(/C=C\C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832280995 601344852 /nfs/dbraw/zinc/34/48/52/601344852.db2.gz HFORNYJWANPTJK-VOCYLRNQSA-N -1 0 337.331 2.949 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000825692292 601346270 /nfs/dbraw/zinc/34/62/70/601346270.db2.gz PMIBRIASKFJVEE-ZDUSSCGKSA-N -1 0 343.364 2.595 20 30 EFEDRM C[C@H](Oc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894943 601348096 /nfs/dbraw/zinc/34/80/96/601348096.db2.gz CSUADAOGKHPIBT-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@H](Oc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827902863 601348175 /nfs/dbraw/zinc/34/81/75/601348175.db2.gz WGLHRCZIJXBMFD-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@@H](Oc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827902861 601348212 /nfs/dbraw/zinc/34/82/12/601348212.db2.gz WGLHRCZIJXBMFD-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccco3)[nH]n2)C(=O)[O-])c1 ZINC000833077400 601348218 /nfs/dbraw/zinc/34/82/18/601348218.db2.gz RKXBKCZNGQJJTB-HNNXBMFYSA-N -1 0 337.291 2.524 20 30 EFEDRM COCc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831822215 601348379 /nfs/dbraw/zinc/34/83/79/601348379.db2.gz XBIINLHVSFCAGM-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1sc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000833034376 601348742 /nfs/dbraw/zinc/34/87/42/601348742.db2.gz ZVBFJBGHOQSELH-CYBMUJFWSA-N -1 0 346.320 2.819 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000832854181 601349450 /nfs/dbraw/zinc/34/94/50/601349450.db2.gz UZPYRTZERBEMTL-OAHLLOKOSA-N -1 0 341.367 2.801 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(N)ccc2Cl)C(=O)[O-])c1 ZINC000833077080 601351572 /nfs/dbraw/zinc/35/15/72/601351572.db2.gz KXEKAUNPSIUOBU-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM COc1cc(C)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1O ZINC000831967164 601352764 /nfs/dbraw/zinc/35/27/64/601352764.db2.gz RKBFFRGEFHRUCM-MRXNPFEDSA-N -1 0 341.319 2.564 20 30 EFEDRM CCN(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829635622 601352800 /nfs/dbraw/zinc/35/28/00/601352800.db2.gz KMTMVRITYSRBMH-SFHVURJKSA-N -1 0 338.363 2.754 20 30 EFEDRM Cc1ncc(CO)c(/C=N\[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1O ZINC000833008671 601365741 /nfs/dbraw/zinc/36/57/41/601365741.db2.gz OQWZNJSWTXEJAI-DZWVFDFXSA-N -1 0 348.786 2.876 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 ZINC000829069437 601376536 /nfs/dbraw/zinc/37/65/36/601376536.db2.gz LLHMXWOKUOUTMV-CQSZACIVSA-N -1 0 331.397 2.845 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)OC/C=C(/C)C(=O)[O-])c1C#N ZINC000832795167 601413794 /nfs/dbraw/zinc/41/37/94/601413794.db2.gz WUCLIHQDVCIEHF-UITAMQMPSA-N -1 0 332.381 2.740 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000833064155 601427856 /nfs/dbraw/zinc/42/78/56/601427856.db2.gz FULXVYICCQLIQE-NVXWUHKLSA-N -1 0 335.363 2.692 20 30 EFEDRM N#Cc1c[nH]c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000833067891 601437269 /nfs/dbraw/zinc/43/72/69/601437269.db2.gz INRQFLSLECBPEX-UHFFFAOYSA-N -1 0 329.381 2.847 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)COc1ccc(C#N)cc1 ZINC000830389206 601458455 /nfs/dbraw/zinc/45/84/55/601458455.db2.gz KWWKRQNSQJCJTJ-UHFFFAOYSA-N -1 0 329.308 2.534 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccccc1OCC#N ZINC000830390321 601463287 /nfs/dbraw/zinc/46/32/87/601463287.db2.gz FSBPZRJYXOELTE-UHFFFAOYSA-N -1 0 329.308 2.800 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832865083 601565799 /nfs/dbraw/zinc/56/57/99/601565799.db2.gz KPNZPPGZNOECDP-UHFFFAOYSA-N -1 0 349.346 2.763 20 30 EFEDRM Cn1ncnc1CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000833061447 601606467 /nfs/dbraw/zinc/60/64/67/601606467.db2.gz FCCGXVYVBSUKND-UHFFFAOYSA-N -1 0 332.363 2.525 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CON=C1CCN(C(=O)C(C)C)CC1 ZINC000833031578 601632150 /nfs/dbraw/zinc/63/21/50/601632150.db2.gz PAHYUSCDOKEYOS-UHFFFAOYSA-N -1 0 338.429 2.906 20 30 EFEDRM C[C@@H](CC#N)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000828311540 601632684 /nfs/dbraw/zinc/63/26/84/601632684.db2.gz ZJKQCCRPIDLILC-QWRGUYRKSA-N -1 0 349.456 2.744 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000832179041 601676836 /nfs/dbraw/zinc/67/68/36/601676836.db2.gz QXULBUGWNXEEDI-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c(F)c1 ZINC000833068660 601678570 /nfs/dbraw/zinc/67/85/70/601678570.db2.gz IABMNJAGKDZNBB-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000826568243 601686383 /nfs/dbraw/zinc/68/63/83/601686383.db2.gz SHQAAMJXJQAJHU-LSDHHAIUSA-N -1 0 329.400 2.579 20 30 EFEDRM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864020 601689332 /nfs/dbraw/zinc/68/93/32/601689332.db2.gz ZXDONXWMURNZJS-BLVKFPJESA-N -1 0 344.411 2.969 20 30 EFEDRM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864028 601689339 /nfs/dbraw/zinc/68/93/39/601689339.db2.gz ZXDONXWMURNZJS-HXPMCKFVSA-N -1 0 344.411 2.969 20 30 EFEDRM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864023 601689348 /nfs/dbraw/zinc/68/93/48/601689348.db2.gz ZXDONXWMURNZJS-BUXKBTBVSA-N -1 0 344.411 2.969 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827878698 601714775 /nfs/dbraw/zinc/71/47/75/601714775.db2.gz AWHZKTRGEDSJJM-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833067210 601729095 /nfs/dbraw/zinc/72/90/95/601729095.db2.gz BDIPVFCVXIGSMO-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833067675 601744089 /nfs/dbraw/zinc/74/40/89/601744089.db2.gz HONZEWJCZOESAF-UHFFFAOYSA-N -1 0 345.380 2.705 20 30 EFEDRM C[C@@H](CS(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000827569992 601770633 /nfs/dbraw/zinc/77/06/33/601770633.db2.gz CJTXEHBVVPPOJW-LBPRGKRZSA-N -1 0 345.376 2.655 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000831837093 601783026 /nfs/dbraw/zinc/78/30/26/601783026.db2.gz VZOALXCQMUJPEL-UHFFFAOYSA-N -1 0 347.396 2.783 20 30 EFEDRM COC(=O)c1cc(/C=C2\CC/C(=C/c3c[nH]c(C(=O)[O-])c3)C2=O)c[nH]1 ZINC000831248675 601791157 /nfs/dbraw/zinc/79/11/57/601791157.db2.gz ORAOVRURYNCNRA-JBWWEBJPSA-N -1 0 340.335 2.658 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)S2)c1 ZINC000832970561 601791306 /nfs/dbraw/zinc/79/13/06/601791306.db2.gz HVMLFOPZRNUKRX-NTUHNPAUSA-N -1 0 327.365 2.913 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C(=O)[O-] ZINC000828377054 601792975 /nfs/dbraw/zinc/79/29/75/601792975.db2.gz GBPPZWMSQHLVGG-KDOFPFPSSA-N -1 0 349.390 2.666 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)c[nH]1 ZINC000833092517 601793487 /nfs/dbraw/zinc/79/34/87/601793487.db2.gz HRMQJPOPNBVKDV-BHQIHCQQSA-N -1 0 340.379 2.570 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CC[C@H](CC)O1 ZINC000825702710 601801051 /nfs/dbraw/zinc/80/10/51/601801051.db2.gz WLVDJSRIBXBMQA-UONOGXRCSA-N -1 0 334.368 2.985 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000825608582 601812710 /nfs/dbraw/zinc/81/27/10/601812710.db2.gz DJFVXPFQYFWZSH-UHFFFAOYSA-N -1 0 335.425 2.568 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccncc1 ZINC000825665299 601827607 /nfs/dbraw/zinc/82/76/07/601827607.db2.gz YGSXCWYTHAVYAL-MRXNPFEDSA-N -1 0 331.416 2.985 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000827928997 601828993 /nfs/dbraw/zinc/82/89/93/601828993.db2.gz TWTCOQTXEAFAHJ-GOEBONIOSA-N -1 0 339.395 2.921 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1cc2ccccc2cc1C(=O)[O-] ZINC000829643301 601829132 /nfs/dbraw/zinc/82/91/32/601829132.db2.gz ZVLTWQKMRXZWEG-ZDUSSCGKSA-N -1 0 339.395 2.958 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(C(C)C)cc1C(=O)[O-] ZINC000829642360 601829201 /nfs/dbraw/zinc/82/92/01/601829201.db2.gz KKVWRCZJINDUSG-ZDUSSCGKSA-N -1 0 331.416 2.928 20 30 EFEDRM Cc1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832882291 601829289 /nfs/dbraw/zinc/82/92/89/601829289.db2.gz CENDTRGVGALFHA-KRWDZBQOSA-N -1 0 339.395 2.669 20 30 EFEDRM C[C@@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000828128430 601896380 /nfs/dbraw/zinc/89/63/80/601896380.db2.gz UABBKMWNXNTXPT-QUCCMNQESA-N -1 0 336.391 2.932 20 30 EFEDRM CC(C)c1ccc(NCC(=O)N(CCC#N)CCC#N)c(C(=O)[O-])c1 ZINC000827123789 601907558 /nfs/dbraw/zinc/90/75/58/601907558.db2.gz DDWXNKDTKYDFRR-UHFFFAOYSA-N -1 0 342.399 2.576 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000833069152 601912226 /nfs/dbraw/zinc/91/22/26/601912226.db2.gz VVHHIWLTUZMVDU-RISCZKNCSA-N -1 0 336.338 2.990 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262154881 601914048 /nfs/dbraw/zinc/91/40/48/601914048.db2.gz OVIHGKIBVOFZOQ-BPUTZDHNSA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000821336157 601926194 /nfs/dbraw/zinc/92/61/94/601926194.db2.gz QGIHSBKHXMUJKQ-SFHVURJKSA-N -1 0 349.390 2.542 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000831836750 602051601 /nfs/dbraw/zinc/05/16/01/602051601.db2.gz MOEXVDUAFOIWNC-CVEARBPZSA-N -1 0 332.400 2.820 20 30 EFEDRM C[C@H](Oc1ccc(C=NNC(=S)NC2CCCCC2)cc1)C(=O)[O-] ZINC000794864917 602067642 /nfs/dbraw/zinc/06/76/42/602067642.db2.gz FNESOKMVDYPSCL-LBPRGKRZSA-N -1 0 349.456 2.669 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2ncnc3sccc32)cc1)C(=O)[O-] ZINC000794887032 602069714 /nfs/dbraw/zinc/06/97/14/602069714.db2.gz DVAGRAKKXIKYDL-SNVBAGLBSA-N -1 0 342.380 2.989 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)o1 ZINC000794898745 602074115 /nfs/dbraw/zinc/07/41/15/602074115.db2.gz BADRDALPZYAXIV-NSHDSACASA-N -1 0 342.355 2.968 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000827326720 602106129 /nfs/dbraw/zinc/10/61/29/602106129.db2.gz ZWOQVYWSGYERLG-SNVBAGLBSA-N -1 0 329.381 2.655 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794697205 602108092 /nfs/dbraw/zinc/10/80/92/602108092.db2.gz KRZHZKAWTDDXDR-NUEDXCKTSA-N -1 0 326.304 2.860 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000825682206 602118739 /nfs/dbraw/zinc/11/87/39/602118739.db2.gz TWVFHVMLVQMEBH-CYBMUJFWSA-N -1 0 330.384 2.550 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H](C)CC(=O)[O-] ZINC000830265791 602182610 /nfs/dbraw/zinc/18/26/10/602182610.db2.gz QKZMDRPYUCKOKH-SMDDNHRTSA-N -1 0 330.384 2.570 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833067813 602198466 /nfs/dbraw/zinc/19/84/66/602198466.db2.gz JAHYOOPOADWPMG-UHFFFAOYSA-N -1 0 342.326 2.998 20 30 EFEDRM C=CCC(CC=C)C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825665374 602283459 /nfs/dbraw/zinc/28/34/59/602283459.db2.gz ZICQNKMOXSHYSW-CYBMUJFWSA-N -1 0 349.408 2.863 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000825692403 602285475 /nfs/dbraw/zinc/28/54/75/602285475.db2.gz TZHIYJIIAQKINB-SECBINFHSA-N -1 0 337.426 2.748 20 30 EFEDRM O=C([O-])Nc1cc(NC(=O)C#Cc2ccc3c(c2)OCO3)ccc1F ZINC000833283069 602295734 /nfs/dbraw/zinc/29/57/34/602295734.db2.gz FKBDEAJIGYPNKP-UHFFFAOYSA-N -1 0 342.282 2.635 20 30 EFEDRM N#CCSc1ccccc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000833068771 602338125 /nfs/dbraw/zinc/33/81/25/602338125.db2.gz COQYJZXWYDTOMG-UHFFFAOYSA-N -1 0 347.440 2.570 20 30 EFEDRM Cn1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1C(=O)[O-] ZINC000833047951 602374416 /nfs/dbraw/zinc/37/44/16/602374416.db2.gz ZULWNBSXHCLCLR-UHFFFAOYSA-N -1 0 338.367 2.791 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)OCCNC(=O)[O-])cc1 ZINC000739093340 602478036 /nfs/dbraw/zinc/47/80/36/602478036.db2.gz PALDUSUQCABEJT-UHFFFAOYSA-N -1 0 344.298 2.914 20 30 EFEDRM CN(CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000737393264 603006599 /nfs/dbraw/zinc/00/65/99/603006599.db2.gz KPIZJFNONUWYLH-UHFFFAOYSA-N -1 0 329.381 2.513 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)CCCNC(=O)[O-])c2)s1 ZINC000739099041 603057930 /nfs/dbraw/zinc/05/79/30/603057930.db2.gz POBJBBPYXMAOMV-UHFFFAOYSA-N -1 0 343.408 2.951 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736109000 603263107 /nfs/dbraw/zinc/26/31/07/603263107.db2.gz ZUKJIRMELRBVHY-MRXNPFEDSA-N -1 0 331.416 2.569 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736470885 603303061 /nfs/dbraw/zinc/30/30/61/603303061.db2.gz BJSMBBJHDJLHEQ-MRXNPFEDSA-N -1 0 344.415 2.621 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825625865 604289323 /nfs/dbraw/zinc/28/93/23/604289323.db2.gz OXDATOWWWJPSMU-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000826044410 604369398 /nfs/dbraw/zinc/36/93/98/604369398.db2.gz GKUKVZJFXJTZEI-IINYFYTJSA-N -1 0 343.770 2.798 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736359590 604376213 /nfs/dbraw/zinc/37/62/13/604376213.db2.gz HTMSPKLTCOOQDQ-SKDRFNHKSA-N -1 0 335.360 2.904 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832848481 604399394 /nfs/dbraw/zinc/39/93/94/604399394.db2.gz DZEGSXAJRSUHAY-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1c(C#N)cccc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832849646 604400873 /nfs/dbraw/zinc/40/08/73/604400873.db2.gz NOXZRDDETAVFKR-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000825692545 604432767 /nfs/dbraw/zinc/43/27/67/604432767.db2.gz XDLHUSWOJLSARV-CYBMUJFWSA-N -1 0 343.364 2.595 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)nc1 ZINC000833368501 604486482 /nfs/dbraw/zinc/48/64/82/604486482.db2.gz OXPPMMHPLKHPRA-UHFFFAOYSA-N -1 0 346.346 2.508 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000833377845 604508034 /nfs/dbraw/zinc/50/80/34/604508034.db2.gz OYYWZBHMHNFSPY-UHFFFAOYSA-N -1 0 338.337 2.619 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000825664470 604509823 /nfs/dbraw/zinc/50/98/23/604509823.db2.gz AMGBDUXMJHNIEH-CYBMUJFWSA-N -1 0 335.381 2.964 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000828587987 604519626 /nfs/dbraw/zinc/51/96/26/604519626.db2.gz YTKVGHOGHLIXFR-GJZGRUSLSA-N -1 0 345.399 2.516 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2cc(C#N)cc(Cl)n2)cc1)C(=O)[O-] ZINC000794922591 604536819 /nfs/dbraw/zinc/53/68/19/604536819.db2.gz LCTNVNKTKMVDQB-SNVBAGLBSA-N -1 0 344.758 2.905 20 30 EFEDRM COC(=O)c1ccc(F)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833715967 604538908 /nfs/dbraw/zinc/53/89/08/604538908.db2.gz KEMZUNMYETUODG-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM N#Cc1c(Cn2cnc3ccc(Cl)cc3c2=O)cccc1C(=O)[O-] ZINC000833761235 604548086 /nfs/dbraw/zinc/54/80/86/604548086.db2.gz QRZNKIYKYIJHSH-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1c(Cn2cnc3cc(Cl)ccc3c2=O)cccc1C(=O)[O-] ZINC000833761088 604551931 /nfs/dbraw/zinc/55/19/31/604551931.db2.gz NGGHWWMHAUDNOT-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM CCOc1ccc(C[C@H](CNc2cccc(C#N)n2)C(=O)[O-])cc1 ZINC000833664671 604558363 /nfs/dbraw/zinc/55/83/63/604558363.db2.gz WEAVVULTECZTMM-CQSZACIVSA-N -1 0 325.368 2.707 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833367829 604561330 /nfs/dbraw/zinc/56/13/30/604561330.db2.gz WIJFXQBQFLRFJE-UKRRQHHQSA-N -1 0 325.792 2.953 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2sccc2C#N)C(=O)[O-])c1 ZINC000832080080 604576658 /nfs/dbraw/zinc/57/66/58/604576658.db2.gz IAORHVRTQJYXLS-ZDUSSCGKSA-N -1 0 347.348 2.620 20 30 EFEDRM C[C@@H](OCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833536004 604581060 /nfs/dbraw/zinc/58/10/60/604581060.db2.gz OQUVQHCXWVWYJQ-CYBMUJFWSA-N -1 0 339.347 2.905 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000833367364 604587148 /nfs/dbraw/zinc/58/71/48/604587148.db2.gz VPBMLXYHINZAOW-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM Cc1ccc(F)c(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832934216 604608786 /nfs/dbraw/zinc/60/87/86/604608786.db2.gz KPUHFHAMIWWTHX-KRWDZBQOSA-N -1 0 343.310 2.754 20 30 EFEDRM Cc1ccc(F)c(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832934220 604608933 /nfs/dbraw/zinc/60/89/33/604608933.db2.gz KPUHFHAMIWWTHX-QGZVFWFLSA-N -1 0 343.310 2.754 20 30 EFEDRM C#CCOCCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833366377 604614071 /nfs/dbraw/zinc/61/40/71/604614071.db2.gz UMKJSKMAZSTGQK-CYBMUJFWSA-N -1 0 330.258 2.571 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000832716122 604627328 /nfs/dbraw/zinc/62/73/28/604627328.db2.gz GZCHVLMMQWOUCW-NYYWCZLTSA-N -1 0 330.361 2.684 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)cc1 ZINC000833309684 604630616 /nfs/dbraw/zinc/63/06/16/604630616.db2.gz FFPXAYOXONOPBF-AATRIKPKSA-N -1 0 344.392 2.574 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccc(C)cc1)[C@H](C)CCCCC(=O)[O-] ZINC000814692801 604632951 /nfs/dbraw/zinc/63/29/51/604632951.db2.gz DHADGAMALHAOSV-CYBMUJFWSA-N -1 0 340.445 2.930 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccccc1 ZINC000833362652 604637348 /nfs/dbraw/zinc/63/73/48/604637348.db2.gz CFWWCJUUUCZJPF-HNNXBMFYSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000794822998 604637493 /nfs/dbraw/zinc/63/74/93/604637493.db2.gz KHKUDCBLBNXQDU-QGZVFWFLSA-N -1 0 343.404 2.736 20 30 EFEDRM C#CCNC(=S)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833365588 604679412 /nfs/dbraw/zinc/67/94/12/604679412.db2.gz NJVMVWLTTVXXOX-UHFFFAOYSA-N -1 0 340.404 2.883 20 30 EFEDRM C[C@H](Oc1ccc(C=NN2CCc3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794921519 604684414 /nfs/dbraw/zinc/68/44/14/604684414.db2.gz IODORWVNBPVREH-ZDUSSCGKSA-N -1 0 338.363 2.571 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000833362721 604694408 /nfs/dbraw/zinc/69/44/08/604694408.db2.gz GVUSZZWLADYXOW-HNNXBMFYSA-N -1 0 347.367 2.567 20 30 EFEDRM C=CCNc1ncc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000825692166 604741009 /nfs/dbraw/zinc/74/10/09/604741009.db2.gz LLPOBCZJGBSHAL-LLVKDONJSA-N -1 0 343.408 2.960 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000825692214 604741338 /nfs/dbraw/zinc/74/13/38/604741338.db2.gz NQIYXXPMEHCXME-GFCCVEGCSA-N -1 0 349.387 2.826 20 30 EFEDRM C=C[C@@H](CC(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC000833370572 604753841 /nfs/dbraw/zinc/75/38/41/604753841.db2.gz DGUWUCDQABSMDA-NSHDSACASA-N -1 0 331.397 2.854 20 30 EFEDRM CC(=NN=C(c1ccccc1)c1ccccc1)c1cn(CC(=O)[O-])nn1 ZINC000825798818 604780802 /nfs/dbraw/zinc/78/08/02/604780802.db2.gz ZMLOCJRQBUAGAF-UHFFFAOYSA-N -1 0 347.378 2.624 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000833074100 604783522 /nfs/dbraw/zinc/78/35/22/604783522.db2.gz OPWMJPVDGQROLK-UHFFFAOYSA-N -1 0 349.390 2.973 20 30 EFEDRM O=C([O-])Nc1ccc(CNC(=O)CON=Cc2cccs2)cc1 ZINC000833285271 604795395 /nfs/dbraw/zinc/79/53/95/604795395.db2.gz APBMFGXJKMDHCJ-UHFFFAOYSA-N -1 0 333.369 2.505 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000135377026 604805786 /nfs/dbraw/zinc/80/57/86/604805786.db2.gz RVERVTHPQIFAHW-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COC(=O)c1cc(Oc2snc(Cl)c2C#N)cc(C(=O)[O-])c1 ZINC000833714258 604822561 /nfs/dbraw/zinc/82/25/61/604822561.db2.gz QFBNKRCVVGQMTB-UHFFFAOYSA-N -1 0 338.728 2.945 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2csc(NC3CC3)n2)C(=O)[O-])cc1 ZINC000833072870 604840160 /nfs/dbraw/zinc/84/01/60/604840160.db2.gz RPQKVJRHEAAYRD-CYBMUJFWSA-N -1 0 343.364 2.572 20 30 EFEDRM N#CCOc1ccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833067127 604857444 /nfs/dbraw/zinc/85/74/44/604857444.db2.gz AKUMGISALKLQOI-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM O=C([O-])c1cc(C(=O)OCC#Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000833297258 604859328 /nfs/dbraw/zinc/85/93/28/604859328.db2.gz DQGZNNCYYOZKEU-UHFFFAOYSA-N -1 0 343.266 2.641 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000827333417 604866143 /nfs/dbraw/zinc/86/61/43/604866143.db2.gz MNGUNZKUVXSKFH-SNVBAGLBSA-N -1 0 330.258 2.591 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833366293 604876465 /nfs/dbraw/zinc/87/64/65/604876465.db2.gz PZMASOISJGBZMT-UHFFFAOYSA-N -1 0 342.376 2.983 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)OCc1ccnc(C#N)c1)C(=O)[O-] ZINC000833544914 604878402 /nfs/dbraw/zinc/87/84/02/604878402.db2.gz LASBUJMSIILIAG-NSHDSACASA-N -1 0 342.376 2.875 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000832845868 604878835 /nfs/dbraw/zinc/87/88/35/604878835.db2.gz ICELLAPMXMMGBO-NSHDSACASA-N -1 0 336.351 2.707 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC000833373542 604895141 /nfs/dbraw/zinc/89/51/41/604895141.db2.gz RWKMVBXCPKDICO-IAGOWNOFSA-N -1 0 346.427 2.561 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833024679 604897955 /nfs/dbraw/zinc/89/79/55/604897955.db2.gz OZKLOHNKPMNJGH-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM CC(C)C[C@H]1CCC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833483078 604906424 /nfs/dbraw/zinc/90/64/24/604906424.db2.gz LDOAHWXGBYPRCH-GFCCVEGCSA-N -1 0 328.368 2.568 20 30 EFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cccc(C)c1 ZINC000833375999 604912743 /nfs/dbraw/zinc/91/27/43/604912743.db2.gz KTLZQOYXLAXZQY-UHFFFAOYSA-N -1 0 338.410 2.531 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000827213287 604915093 /nfs/dbraw/zinc/91/50/93/604915093.db2.gz MSHSYWHUXPVWRJ-SECBINFHSA-N -1 0 325.752 2.569 20 30 EFEDRM C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CC1 ZINC000833374934 604971964 /nfs/dbraw/zinc/97/19/64/604971964.db2.gz AUSVHICNOXFHPW-UHFFFAOYSA-N -1 0 334.441 2.914 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826848942 604981273 /nfs/dbraw/zinc/98/12/73/604981273.db2.gz NLXMACFUHWWLDP-UHFFFAOYSA-N -1 0 338.433 2.954 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000833417695 604983664 /nfs/dbraw/zinc/98/36/64/604983664.db2.gz WBEZPSOLELRGES-AWEZNQCLSA-N -1 0 347.390 2.730 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000833417239 604996816 /nfs/dbraw/zinc/99/68/16/604996816.db2.gz NWFFSMMIGMDDCV-LLVKDONJSA-N -1 0 335.791 2.570 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC000833761229 605015238 /nfs/dbraw/zinc/01/52/38/605015238.db2.gz QQAMGYCCEOBMGB-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833362843 605019853 /nfs/dbraw/zinc/01/98/53/605019853.db2.gz MWNNVNWLCFIZBM-CYBMUJFWSA-N -1 0 331.368 2.757 20 30 EFEDRM CCC[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000833649388 605022545 /nfs/dbraw/zinc/02/25/45/605022545.db2.gz PAKKRBKBNUVAGQ-HNNXBMFYSA-N -1 0 342.351 2.713 20 30 EFEDRM CCC[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000833649470 605023807 /nfs/dbraw/zinc/02/38/07/605023807.db2.gz UOJRELNGLUPBDR-AWEZNQCLSA-N -1 0 342.351 2.713 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccncc1 ZINC000833371924 605028379 /nfs/dbraw/zinc/02/83/79/605028379.db2.gz ZLPIBSFFRASDTM-MRXNPFEDSA-N -1 0 346.408 2.517 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NN1C(=S)N=NC1c1cccs1 ZINC000833407660 605038400 /nfs/dbraw/zinc/03/84/00/605038400.db2.gz UMQYTCYLCGUZTG-VIFPVBQESA-N -1 0 347.425 2.625 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cccn2[C@@H](C)C(=O)[O-])o1 ZINC000833495223 605040284 /nfs/dbraw/zinc/04/02/84/605040284.db2.gz XXCPMCLVTVFGJM-NSHDSACASA-N -1 0 329.360 2.638 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833682624 605052792 /nfs/dbraw/zinc/05/27/92/605052792.db2.gz CIVDIAWKHJEQTL-QWHCGFSZSA-N -1 0 340.383 2.757 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833539418 605054441 /nfs/dbraw/zinc/05/44/41/605054441.db2.gz FQAFLWRAYYGBBS-ZDUSSCGKSA-N -1 0 339.347 2.696 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833539417 605054576 /nfs/dbraw/zinc/05/45/76/605054576.db2.gz FQAFLWRAYYGBBS-CYBMUJFWSA-N -1 0 339.347 2.696 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000833367492 605054908 /nfs/dbraw/zinc/05/49/08/605054908.db2.gz YOYQMWVNGLOPSQ-HIFRSBDPSA-N -1 0 333.384 2.985 20 30 EFEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833367162 605054955 /nfs/dbraw/zinc/05/49/55/605054955.db2.gz QUJLTDGTVQAVHV-XJKSGUPXSA-N -1 0 333.384 2.985 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)s1 ZINC000833375699 605057385 /nfs/dbraw/zinc/05/73/85/605057385.db2.gz JAHBHTPXFRGHIR-UHFFFAOYSA-N -1 0 343.368 2.568 20 30 EFEDRM C=C(C)Cn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccncc1 ZINC000833371370 605072305 /nfs/dbraw/zinc/07/23/05/605072305.db2.gz ZUSBTEOWJYUSKU-ZDUSSCGKSA-N -1 0 330.413 2.872 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833379008 605077705 /nfs/dbraw/zinc/07/77/05/605077705.db2.gz UCFRZAUEISNGGW-OAHLLOKOSA-N -1 0 331.299 2.768 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1cc(C(=O)[O-])oc1CC ZINC000833378609 605077733 /nfs/dbraw/zinc/07/77/33/605077733.db2.gz KNCCCNNNZOEBMF-UHFFFAOYSA-N -1 0 331.324 2.857 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833412587 605088772 /nfs/dbraw/zinc/08/87/72/605088772.db2.gz CLSXUHWJAQDCLE-UHFFFAOYSA-N -1 0 330.388 2.656 20 30 EFEDRM C#CCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000229855213 605126285 /nfs/dbraw/zinc/12/62/85/605126285.db2.gz KRQIFKSLBWJHNL-UHFFFAOYSA-N -1 0 325.162 2.682 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000833369294 605130619 /nfs/dbraw/zinc/13/06/19/605130619.db2.gz PMSAYSMSEXCKNP-UHFFFAOYSA-N -1 0 340.401 2.971 20 30 EFEDRM C#CCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000833362130 605131417 /nfs/dbraw/zinc/13/14/17/605131417.db2.gz AHGMXHQEXYXNKV-HNNXBMFYSA-N -1 0 341.238 2.760 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833366391 605171580 /nfs/dbraw/zinc/17/15/80/605171580.db2.gz VASOZILIXYWMMV-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C=CCc1cc(CNc2cncc(C(=O)[O-])n2)cc(OC)c1OC ZINC000833379341 605181054 /nfs/dbraw/zinc/18/10/54/605181054.db2.gz AGPYUSOBUZOBPM-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM CC(=NOCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1cnn(C)c1 ZINC000833387019 605183505 /nfs/dbraw/zinc/18/35/05/605183505.db2.gz KEEVBOVVXWOTLQ-UHFFFAOYSA-N -1 0 340.339 2.714 20 30 EFEDRM C#CCCN1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000833362458 605192428 /nfs/dbraw/zinc/19/24/28/605192428.db2.gz SJVWHWZMZSWGLF-OAHLLOKOSA-N -1 0 341.238 2.760 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000833751138 605208811 /nfs/dbraw/zinc/20/88/11/605208811.db2.gz PIMIXTLATUJBKB-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM C=CCc1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc(OC)c1OC ZINC000833378168 605256512 /nfs/dbraw/zinc/25/65/12/605256512.db2.gz KJNTVVXOJZTEFI-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM C=CCn1nnnc1S[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833380527 605262762 /nfs/dbraw/zinc/26/27/62/605262762.db2.gz IWGKDCOLRSOZNF-SNVBAGLBSA-N -1 0 344.318 2.796 20 30 EFEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833380526 605262776 /nfs/dbraw/zinc/26/27/76/605262776.db2.gz IWGKDCOLRSOZNF-JTQLQIEISA-N -1 0 344.318 2.796 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833747563 605265606 /nfs/dbraw/zinc/26/56/06/605265606.db2.gz WGPXEMJNSDUODT-UHFFFAOYSA-N -1 0 349.343 2.897 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)c1ccccc1 ZINC000833370681 605269779 /nfs/dbraw/zinc/26/97/79/605269779.db2.gz FXVHOCNIHYOQHP-UGSOOPFHSA-N -1 0 325.364 2.994 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)c1ccccc1 ZINC000833370674 605269920 /nfs/dbraw/zinc/26/99/20/605269920.db2.gz FXVHOCNIHYOQHP-ACJLOTCBSA-N -1 0 325.364 2.994 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccncc1C=NNc1ccccc1C(=O)[O-] ZINC000783817713 605329298 /nfs/dbraw/zinc/32/92/98/605329298.db2.gz XAWWONTVMVKJNP-UHFFFAOYSA-N -1 0 340.383 2.632 20 30 EFEDRM COc1cc(OC)c(C=NNc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000833729032 605594951 /nfs/dbraw/zinc/59/49/51/605594951.db2.gz OVIRXUFASVPGIC-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM C#CCCCCCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000833361645 605765952 /nfs/dbraw/zinc/76/59/52/605765952.db2.gz FUVPCPWEFYSXPW-UHFFFAOYSA-N -1 0 339.395 2.975 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833537050 605809337 /nfs/dbraw/zinc/80/93/37/605809337.db2.gz GPNOYJWBQWYCDN-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833541064 605810425 /nfs/dbraw/zinc/81/04/25/605810425.db2.gz QZILZHNBAKKLBI-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000833509376 605941847 /nfs/dbraw/zinc/94/18/47/605941847.db2.gz PUIFZHCCKRFQDM-ZDUSSCGKSA-N -1 0 344.396 2.912 20 30 EFEDRM CCCCO[C@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C1(C)C ZINC000821071557 606166182 /nfs/dbraw/zinc/16/61/82/606166182.db2.gz ILHGQZSZASMWHO-NSHDSACASA-N -1 0 333.396 2.546 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)s1 ZINC000823387554 606389663 /nfs/dbraw/zinc/38/96/63/606389663.db2.gz OOONJSBEUUTMGY-IWQZZHSRSA-N -1 0 332.366 2.584 20 30 EFEDRM Clc1cc(NN=Cc2ccc3c(c2)CCO3)ccc1-c1nn[nH]n1 ZINC000826351638 609471777 /nfs/dbraw/zinc/47/17/77/609471777.db2.gz UNSYAXIMTFTJGJ-UHFFFAOYSA-N -1 0 340.774 2.901 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cn1 ZINC000093242090 1249680758 /nfs/dbraw/zinc/68/07/58/1249680758.db2.gz KMTLHOSQUPNSNT-UHFFFAOYSA-N -1 0 334.397 2.791 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851168789 1250838884 /nfs/dbraw/zinc/83/88/84/1250838884.db2.gz LBSNECDHKOZUPV-UHFFFAOYSA-N -1 0 331.796 2.619 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnn2cccc(Cl)c12 ZINC000850757384 1250596588 /nfs/dbraw/zinc/59/65/88/1250596588.db2.gz JWPMQJAQNIRVJL-GFCCVEGCSA-N -1 0 344.802 2.759 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)CCCCC1 ZINC000850920138 1250689357 /nfs/dbraw/zinc/68/93/57/1250689357.db2.gz QPYDILLJQQHVBR-UHFFFAOYSA-N -1 0 340.367 2.639 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850927955 1250694844 /nfs/dbraw/zinc/69/48/44/1250694844.db2.gz AGKKFPTWPOVKCY-UHFFFAOYSA-N -1 0 328.478 2.835 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CCCC1 ZINC000850932902 1250694993 /nfs/dbraw/zinc/69/49/93/1250694993.db2.gz RZBQPCZWWKADGL-FICVDOATSA-N -1 0 338.473 2.733 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000850948015 1250705397 /nfs/dbraw/zinc/70/53/97/1250705397.db2.gz LDPOZKGAQDKUTA-RAXLEYEMSA-N -1 0 336.413 2.603 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000850977695 1250724124 /nfs/dbraw/zinc/72/41/24/1250724124.db2.gz BWZVHTOBDGQAAA-CVEARBPZSA-N -1 0 338.411 2.883 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C)c1ccccc1 ZINC000850977836 1250724909 /nfs/dbraw/zinc/72/49/09/1250724909.db2.gz FQCQQHOCACIYJQ-GXTWGEPZSA-N -1 0 344.802 2.663 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCC)c1ccc(Cl)cc1 ZINC000850999853 1250734754 /nfs/dbraw/zinc/73/47/54/1250734754.db2.gz LIUYGLNQCAHSBO-CQSZACIVSA-N -1 0 327.833 2.693 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000851032599 1250761137 /nfs/dbraw/zinc/76/11/37/1250761137.db2.gz UZDQAVHJKDVAPD-GOSISDBHSA-N -1 0 333.453 2.909 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)CCC2CCCC2)c1 ZINC000851192516 1250851577 /nfs/dbraw/zinc/85/15/77/1250851577.db2.gz KTPVBDDHRIVPEU-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192211 1250858448 /nfs/dbraw/zinc/85/84/48/1250858448.db2.gz CISNLGABMRHYPM-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)Cc1cc(OC)ns1 ZINC000851434191 1251000310 /nfs/dbraw/zinc/00/03/10/1251000310.db2.gz JNRNEXFATHGGEV-UHFFFAOYSA-N -1 0 348.490 2.848 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851471629 1251022649 /nfs/dbraw/zinc/02/26/49/1251022649.db2.gz VKQLBOLUBGYURG-UHFFFAOYSA-N -1 0 335.425 2.616 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000851607621 1251129884 /nfs/dbraw/zinc/12/98/84/1251129884.db2.gz PMCNRHJGIPSUNC-LLVKDONJSA-N -1 0 349.330 2.684 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000851625705 1251146272 /nfs/dbraw/zinc/14/62/72/1251146272.db2.gz TXDNANGHKXJJQA-HNAYVOBHSA-N -1 0 347.411 2.806 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C ZINC000176510987 1252012697 /nfs/dbraw/zinc/01/26/97/1252012697.db2.gz TUJXVCFUVYBWFZ-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000176512057 1252014351 /nfs/dbraw/zinc/01/43/51/1252014351.db2.gz QSUFEYJUUJTIQE-UHFFFAOYSA-N -1 0 346.246 2.919 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C ZINC000176515150 1252014476 /nfs/dbraw/zinc/01/44/76/1252014476.db2.gz JNXWBGSFQPMKHO-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000073366907 1254368038 /nfs/dbraw/zinc/36/80/38/1254368038.db2.gz XDHXFVPMKFHJAC-UHFFFAOYSA-N -1 0 331.375 2.732 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)ccc1C#N ZINC000901766289 1255088766 /nfs/dbraw/zinc/08/87/66/1255088766.db2.gz QVZPZNHEYMMYEV-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM N#CC(=C([O-])[C@H]1Cc2ccccc2C(=O)O1)c1nc(C2CC2)cs1 ZINC000842938457 1257069312 /nfs/dbraw/zinc/06/93/12/1257069312.db2.gz JOHKAJIUWOKCOX-UKRRQHHQSA-N -1 0 338.388 2.978 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000921542430 1257093522 /nfs/dbraw/zinc/09/35/22/1257093522.db2.gz GAJKKVPDAUXBAW-CQSZACIVSA-N -1 0 328.347 2.529 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000921550278 1257247595 /nfs/dbraw/zinc/24/75/95/1257247595.db2.gz UJRLLQRCWJXZSA-CQSZACIVSA-N -1 0 328.347 2.529 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1O ZINC000213724042 1257452595 /nfs/dbraw/zinc/45/25/95/1257452595.db2.gz HLKMEWKCIDCUBF-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM CCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000083769029 1257671711 /nfs/dbraw/zinc/67/17/11/1257671711.db2.gz QXBOYRXPMRKWFP-UHFFFAOYSA-N -1 0 343.298 2.916 20 30 EFEDRM C=CCCCCCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000922517392 1266181098 /nfs/dbraw/zinc/18/10/98/1266181098.db2.gz JETAIVCHVIUQNG-AWEZNQCLSA-N -1 0 335.452 2.926 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1cccc(F)c1 ZINC000091125540 1260206005 /nfs/dbraw/zinc/20/60/05/1260206005.db2.gz JCTMTAPZRDEYOC-UHFFFAOYSA-N -1 0 335.356 2.844 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cc(C)nc2C)n1 ZINC000923462537 1261704689 /nfs/dbraw/zinc/70/46/89/1261704689.db2.gz KCGGJEOQEDMMRU-ZDUSSCGKSA-N -1 0 343.408 2.805 20 30 EFEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000747021135 1278180638 /nfs/dbraw/zinc/18/06/38/1278180638.db2.gz JSOPMHMQKVXUCS-AWEZNQCLSA-N -1 0 345.362 2.741 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000796687210 1263468045 /nfs/dbraw/zinc/46/80/45/1263468045.db2.gz QUYOHAFBQVMAIL-UHFFFAOYSA-N -1 0 345.163 2.577 20 30 EFEDRM COc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c2c1 ZINC000730142742 1264212707 /nfs/dbraw/zinc/21/27/07/1264212707.db2.gz WUSLCNBSZIOTME-UHFFFAOYSA-N -1 0 341.318 2.958 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000733204924 1265110945 /nfs/dbraw/zinc/11/09/45/1265110945.db2.gz DXFPJBMEHXUALS-XQRVVYSFSA-N -1 0 340.331 2.817 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2cccc(OCC(=O)[O-])c2)o1 ZINC000733203529 1265110979 /nfs/dbraw/zinc/11/09/79/1265110979.db2.gz OLDVHVUCBDLKIT-UHFFFAOYSA-N -1 0 342.355 2.753 20 30 EFEDRM Clc1cccc2c1OCCCC2=NNc1[n-]cnc2ncnc1-2 ZINC000733747547 1265400607 /nfs/dbraw/zinc/40/06/07/1265400607.db2.gz SLAHYXUCVPBWOY-UHFFFAOYSA-N -1 0 328.763 2.995 20 30 EFEDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000735208789 1267231660 /nfs/dbraw/zinc/23/16/60/1267231660.db2.gz SASAZZXLSVMYSA-SNAWJCMRSA-N -1 0 346.330 2.738 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CC2)cc1OC ZINC000791771274 1278318660 /nfs/dbraw/zinc/31/86/60/1278318660.db2.gz HSJQWUXMOGIETO-MRXNPFEDSA-N -1 0 344.411 2.865 20 30 EFEDRM COC(=O)C1(C#N)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000824867005 1278321588 /nfs/dbraw/zinc/32/15/88/1278321588.db2.gz KDTJYNCSAUJKNP-UHFFFAOYSA-N -1 0 343.210 2.978 20 30 EFEDRM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000791779519 1278325897 /nfs/dbraw/zinc/32/58/97/1278325897.db2.gz RYUPWXYJNMTWEG-INIZCTEOSA-N -1 0 342.395 2.618 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000073837538 1267488214 /nfs/dbraw/zinc/48/82/14/1267488214.db2.gz ITJFUMYPRISTNQ-LBPRGKRZSA-N -1 0 346.493 2.936 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000073838262 1267534440 /nfs/dbraw/zinc/53/44/40/1267534440.db2.gz VPCSDQRFVIWZAI-ZDUSSCGKSA-N -1 0 346.493 2.889 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000741658307 1269637551 /nfs/dbraw/zinc/63/75/51/1269637551.db2.gz UWDNMSBANUXWPX-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1 ZINC000737493492 1270477618 /nfs/dbraw/zinc/47/76/18/1270477618.db2.gz AMXQKGNQCIVVQC-UHFFFAOYSA-N -1 0 348.358 2.990 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCc2nnc3ccccn32)c1[O-] ZINC000743341350 1270525385 /nfs/dbraw/zinc/52/53/85/1270525385.db2.gz YOQKAIFFABKOFT-MFOYZWKCSA-N -1 0 345.746 2.658 20 30 EFEDRM COCCC1N=NC(=S)N1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000743446652 1270582971 /nfs/dbraw/zinc/58/29/71/1270582971.db2.gz AYYHINMPJAGDSN-UHFFFAOYSA-N -1 0 347.227 2.650 20 30 EFEDRM COCc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000743433342 1270587801 /nfs/dbraw/zinc/58/78/01/1270587801.db2.gz CESAKFQZAAXDIQ-UHFFFAOYSA-N -1 0 325.393 2.714 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H](C)OCC)s1 ZINC000744023499 1270834061 /nfs/dbraw/zinc/83/40/61/1270834061.db2.gz ZYEGUWKEZJMROR-RYUDHWBXSA-N -1 0 337.445 2.869 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc2ccsc2c1 ZINC000744023261 1270835542 /nfs/dbraw/zinc/83/55/42/1270835542.db2.gz FYAYQTGTIAOPAG-CYBMUJFWSA-N -1 0 345.424 2.550 20 30 EFEDRM COc1cccc(F)c1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000745316263 1271428683 /nfs/dbraw/zinc/42/86/83/1271428683.db2.gz DOYSRAFRQRFWHS-JTQLQIEISA-N -1 0 348.355 2.633 20 30 EFEDRM COc1ccc2c(c1)C(=N[N-]c1oc(CC(C)C)nc1C#N)C(=O)N2 ZINC000745613742 1271540754 /nfs/dbraw/zinc/54/07/54/1271540754.db2.gz MWSHIVUFCUTIGY-UHFFFAOYSA-N -1 0 339.355 2.522 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@@H]2CC[C@H](C)O2)n1 ZINC000745714886 1271576686 /nfs/dbraw/zinc/57/66/86/1271576686.db2.gz QGTGVOIGGBKEQM-RWMBFGLXSA-N -1 0 336.413 2.519 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)C(C)(C)C)cc2[n-]c1=S ZINC000844092807 1278743900 /nfs/dbraw/zinc/74/39/00/1278743900.db2.gz NFMKLONUWJYMOC-UHFFFAOYSA-N -1 0 331.441 2.742 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103330200 1273102648 /nfs/dbraw/zinc/10/26/48/1273102648.db2.gz ACBXYCFQPPFTSU-GOSISDBHSA-N -1 0 345.358 2.952 20 30 EFEDRM C=CC[C@@H](Nc1cc(Br)cc(C(=O)[O-])c1)C(=O)OC ZINC001169845265 1273192416 /nfs/dbraw/zinc/19/24/16/1273192416.db2.gz TWGQDFIJPNBTOE-LLVKDONJSA-N -1 0 328.162 2.677 20 30 EFEDRM C=CC[C@H](Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1)C(=O)OC ZINC001169845203 1273192494 /nfs/dbraw/zinc/19/24/94/1273192494.db2.gz NLHDJFYSOLMNRT-GWCFXTLKSA-N -1 0 344.333 2.956 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203331411 1273235839 /nfs/dbraw/zinc/23/58/39/1273235839.db2.gz FXSIWMNDPNOKSS-UHFFFAOYSA-N -1 0 345.305 2.946 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCCC1 ZINC000792563078 1278902190 /nfs/dbraw/zinc/90/21/90/1278902190.db2.gz OABOQGBMPNCSBJ-HNNXBMFYSA-N -1 0 348.509 2.901 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000792563056 1278902572 /nfs/dbraw/zinc/90/25/72/1278902572.db2.gz NLFYCAGLLHZHTQ-CABCVRRESA-N -1 0 348.509 2.757 20 30 EFEDRM CCS[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000785828556 1275200059 /nfs/dbraw/zinc/20/00/59/1275200059.db2.gz SNLZMDSWVLFLJL-YPMHNXCESA-N -1 0 340.470 2.949 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530814 1275421113 /nfs/dbraw/zinc/42/11/13/1275421113.db2.gz KELHEARFTXZQBK-LBPRGKRZSA-N -1 0 347.827 2.998 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cccc(C#N)c1 ZINC000786536104 1275423505 /nfs/dbraw/zinc/42/35/05/1275423505.db2.gz XMCDQHHQEOAHBD-MRXNPFEDSA-N -1 0 337.766 2.851 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n[nH]1 ZINC000786539681 1275425056 /nfs/dbraw/zinc/42/50/56/1275425056.db2.gz RKWGRDCJXBERFW-CQSZACIVSA-N -1 0 344.802 2.654 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000786540054 1275425109 /nfs/dbraw/zinc/42/51/09/1275425109.db2.gz GMVJRPASOAHVEP-INIZCTEOSA-N -1 0 328.318 2.912 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccn1 ZINC000786541833 1275436794 /nfs/dbraw/zinc/43/67/94/1275436794.db2.gz REYFCVHPTMTTGP-OAHLLOKOSA-N -1 0 339.420 2.751 20 30 EFEDRM C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786545991 1275437942 /nfs/dbraw/zinc/43/79/42/1275437942.db2.gz AQQJBKWSRKIBGL-IBGZPJMESA-N -1 0 346.386 2.646 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786548128 1275438092 /nfs/dbraw/zinc/43/80/92/1275438092.db2.gz HSJJRGLGMFTDIZ-AWEZNQCLSA-N -1 0 327.409 2.707 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cn2C)c1 ZINC000786549981 1275439251 /nfs/dbraw/zinc/43/92/51/1275439251.db2.gz LSBQSGFMFAYXHD-AWEZNQCLSA-N -1 0 329.787 2.626 20 30 EFEDRM COCc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786553072 1275440193 /nfs/dbraw/zinc/44/01/93/1275440193.db2.gz RTOBWNUNTWMRMR-GOSISDBHSA-N -1 0 336.391 2.780 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)c1 ZINC000786551080 1275440413 /nfs/dbraw/zinc/44/04/13/1275440413.db2.gz USDLKDAFCKGVIM-QGZVFWFLSA-N -1 0 346.390 2.819 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(Cl)o1 ZINC000786557238 1275441588 /nfs/dbraw/zinc/44/15/88/1275441588.db2.gz LEYBDZKNASQYNY-JTQLQIEISA-N -1 0 338.697 2.850 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786558459 1275443084 /nfs/dbraw/zinc/44/30/84/1275443084.db2.gz CRDLJTDHNCSJHG-OAHLLOKOSA-N -1 0 328.318 2.912 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786561907 1275443884 /nfs/dbraw/zinc/44/38/84/1275443884.db2.gz AUIZLSXZFNAEDX-CQSZACIVSA-N -1 0 344.317 2.612 20 30 EFEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786566034 1275445149 /nfs/dbraw/zinc/44/51/49/1275445149.db2.gz VAUYRNZGSRDXNI-CYBMUJFWSA-N -1 0 345.349 2.986 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(F)c1 ZINC000786569194 1275446099 /nfs/dbraw/zinc/44/60/99/1275446099.db2.gz CXHWWCJNCMRVIY-CYBMUJFWSA-N -1 0 332.281 2.743 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1 ZINC000786657030 1275463256 /nfs/dbraw/zinc/46/32/56/1275463256.db2.gz FMDWRWGOPZRZFX-UHFFFAOYSA-N -1 0 348.811 2.893 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1 ZINC000786648438 1275473152 /nfs/dbraw/zinc/47/31/52/1275473152.db2.gz PXFGPSSOJJOTQC-UHFFFAOYSA-N -1 0 342.420 2.558 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cncc(F)c1)c1ccccc1 ZINC000787041326 1275624358 /nfs/dbraw/zinc/62/43/58/1275624358.db2.gz OQRNXTQGLDYKRT-JKSUJKDBSA-N -1 0 325.343 2.811 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(OC)nc1)c1ccccc1 ZINC000787046271 1275626755 /nfs/dbraw/zinc/62/67/55/1275626755.db2.gz PVRCCVABQLWIDG-HOTGVXAUSA-N -1 0 337.379 2.680 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)n[nH]1 ZINC000787045994 1275626823 /nfs/dbraw/zinc/62/68/23/1275626823.db2.gz LYRBUMUIYWJGKM-JKSUJKDBSA-N -1 0 338.411 2.952 20 30 EFEDRM CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167908 1275700481 /nfs/dbraw/zinc/70/04/81/1275700481.db2.gz GZQOHPVULUSONS-DPJILGTMSA-N -1 0 341.319 2.769 20 30 EFEDRM O=C([O-])CCOc1cccc(CN=Nc2ncnc3sccc32)c1 ZINC000746682290 1275781586 /nfs/dbraw/zinc/78/15/86/1275781586.db2.gz MJBUHTJNOYTKGQ-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)[O-] ZINC000746686768 1275790146 /nfs/dbraw/zinc/79/01/46/1275790146.db2.gz LGJXSVHVSQFRAA-GQCTYLIASA-N -1 0 344.367 2.832 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cc(C(=O)[O-])ccc1C ZINC000788425436 1276163119 /nfs/dbraw/zinc/16/31/19/1276163119.db2.gz RUQVQSDYDABAJH-UHFFFAOYSA-N -1 0 346.408 2.933 20 30 EFEDRM CCCN1C[C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000817708122 1276269287 /nfs/dbraw/zinc/26/92/87/1276269287.db2.gz UCTWNQHRMNMUOD-UWOUAGFBSA-N -1 0 339.779 2.631 20 30 EFEDRM NC(=O)[C@H]1CC[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000817706909 1276269463 /nfs/dbraw/zinc/26/94/63/1276269463.db2.gz GGLDLRDAYJDEQC-PGILXOHISA-N -1 0 339.779 2.664 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1-n1cccn1 ZINC000817714123 1276289578 /nfs/dbraw/zinc/28/95/78/1276289578.db2.gz ZZEONGILOSSPBC-MRXNPFEDSA-N -1 0 336.395 2.562 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1-n1cccn1 ZINC000817714121 1276289689 /nfs/dbraw/zinc/28/96/89/1276289689.db2.gz ZZEONGILOSSPBC-INIZCTEOSA-N -1 0 336.395 2.562 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1coc(-c2c(F)cccc2F)n1 ZINC000817713419 1276289898 /nfs/dbraw/zinc/28/98/98/1276289898.db2.gz CXUIDPHZSCGJQV-SNVBAGLBSA-N -1 0 345.305 2.565 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C(=O)[O-])c1 ZINC000923064290 1276712564 /nfs/dbraw/zinc/71/25/64/1276712564.db2.gz GLNPWXAEZJFQEI-OXQOHEQNSA-N -1 0 340.423 2.829 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000789460572 1276741836 /nfs/dbraw/zinc/74/18/36/1276741836.db2.gz PPGWVTBVBJPKRO-CYBMUJFWSA-N -1 0 325.430 2.601 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000187083645 1276748838 /nfs/dbraw/zinc/74/88/38/1276748838.db2.gz NPDRVOHRFADBBI-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC12CCCC2 ZINC000923078507 1276761563 /nfs/dbraw/zinc/76/15/63/1276761563.db2.gz DKZUMILWOZWIPW-KDOFPFPSSA-N -1 0 330.359 2.584 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000789535077 1276788602 /nfs/dbraw/zinc/78/86/02/1276788602.db2.gz LJUNHUFUQNSYSD-UHFFFAOYSA-N -1 0 338.212 2.773 20 30 EFEDRM C=CCC[C@H](C)N1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)CC1 ZINC001113078504 1276840309 /nfs/dbraw/zinc/84/03/09/1276840309.db2.gz LDTZQISBHPVZPS-HNNXBMFYSA-N -1 0 339.439 2.641 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000789884604 1277050503 /nfs/dbraw/zinc/05/05/03/1277050503.db2.gz RFENLECPCAAXMT-LBPRGKRZSA-N -1 0 348.390 2.966 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccccc1 ZINC000790005907 1277165275 /nfs/dbraw/zinc/16/52/75/1277165275.db2.gz APIYXWZJHOEOBK-KBPBESRZSA-N -1 0 340.345 2.570 20 30 EFEDRM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1nc2ccccn2n1 ZINC000790196301 1277343400 /nfs/dbraw/zinc/34/34/00/1277343400.db2.gz AMEKFZZRAIYVCA-UHFFFAOYSA-N -1 0 346.272 2.516 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790308896 1277441987 /nfs/dbraw/zinc/44/19/87/1277441987.db2.gz SCCFWHUZJLSIQJ-UHFFFAOYSA-N -1 0 343.274 2.754 20 30 EFEDRM O=C([O-])COc1ccccc1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790308865 1277442689 /nfs/dbraw/zinc/44/26/89/1277442689.db2.gz QKEFXGHPKZFFCS-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000790387862 1277493891 /nfs/dbraw/zinc/49/38/91/1277493891.db2.gz AXLSGMZNVZWSBM-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000790408980 1277519709 /nfs/dbraw/zinc/51/97/09/1277519709.db2.gz IXJHJJPUGXQHRE-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790864693 1277811012 /nfs/dbraw/zinc/81/10/12/1277811012.db2.gz QMOYYNLEPMQCMA-OQFOIZHKSA-N -1 0 346.330 2.738 20 30 EFEDRM N#Cc1cccc(NC(=O)COC(=O)c2cc([S-])ccc2F)c1 ZINC000798723692 1279077145 /nfs/dbraw/zinc/07/71/45/1279077145.db2.gz ZDUDCAGBPOKXSX-UHFFFAOYSA-N -1 0 330.340 2.782 20 30 EFEDRM Cc1c(NN=Cc2ncc(C3OCCO3)s2)cccc1C(=O)[O-] ZINC000844624368 1279129154 /nfs/dbraw/zinc/12/91/54/1279129154.db2.gz WVXPXMVIYHRWOS-UHFFFAOYSA-N -1 0 333.369 2.641 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154304 1287328496 /nfs/dbraw/zinc/32/84/96/1287328496.db2.gz IUXUGEKKPNUTPE-UHFFFAOYSA-N -1 0 336.120 2.801 20 30 EFEDRM CCOC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCC1 ZINC000792825653 1279186939 /nfs/dbraw/zinc/18/69/39/1279186939.db2.gz AUMHKKXYGSMLOT-GFCCVEGCSA-N -1 0 336.413 2.520 20 30 EFEDRM COC(=O)c1nn(C)c(C)c1/C=C/C(=O)c1cc(Cl)ccc1[O-] ZINC000792883430 1279234975 /nfs/dbraw/zinc/23/49/75/1279234975.db2.gz DLGRPLQMGLZKSW-FNORWQNLSA-N -1 0 334.759 2.770 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000844796461 1279257059 /nfs/dbraw/zinc/25/70/59/1279257059.db2.gz UGYNVHZPFPLPHK-RBSFLKMASA-N -1 0 349.493 2.677 20 30 EFEDRM CCOC(=O)c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)on1 ZINC000792873082 1279262535 /nfs/dbraw/zinc/26/25/35/1279262535.db2.gz SHKBHZUGJJDCCZ-UHFFFAOYSA-N -1 0 337.719 2.649 20 30 EFEDRM CCCCCCCCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000844826170 1279278166 /nfs/dbraw/zinc/27/81/66/1279278166.db2.gz UCZKWOJXYXVLNS-UHFFFAOYSA-N -1 0 333.479 2.734 20 30 EFEDRM CC[C@H](NN=C(C)c1ccc(OC)cc1Br)C(=O)[O-] ZINC000793056098 1279331240 /nfs/dbraw/zinc/33/12/40/1279331240.db2.gz CSBOWPZOMFCPJJ-LBPRGKRZSA-N -1 0 329.194 2.635 20 30 EFEDRM CC[C@@H](NN=Cc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000793071109 1279355746 /nfs/dbraw/zinc/35/57/46/1279355746.db2.gz CQTXWSCRGPMWKK-CQSZACIVSA-N -1 0 349.412 2.517 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000793072218 1279358052 /nfs/dbraw/zinc/35/80/52/1279358052.db2.gz MMBDKXYCAFMWAT-MRXNPFEDSA-N -1 0 348.834 2.988 20 30 EFEDRM CC[C@@H](NN=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000793080684 1279360224 /nfs/dbraw/zinc/36/02/24/1279360224.db2.gz CWSWDXZRAGZIRM-GFCCVEGCSA-N -1 0 334.357 2.505 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(Br)cc1SC)C(=O)[O-] ZINC000793081503 1279361904 /nfs/dbraw/zinc/36/19/04/1279361904.db2.gz LXRHIIXXXDSNHX-SNVBAGLBSA-N -1 0 331.235 2.958 20 30 EFEDRM CCOc1cc(C=NN[C@H](CC)C(=O)[O-])ccc1OCC(F)(F)F ZINC000793057928 1279367379 /nfs/dbraw/zinc/36/73/79/1279367379.db2.gz RVPJHJUTIROZJT-LLVKDONJSA-N -1 0 348.321 2.813 20 30 EFEDRM CCOc1cc(C=NN[C@@H](CC)C(=O)[O-])ccc1OCC(F)(F)F ZINC000793057929 1279368200 /nfs/dbraw/zinc/36/82/00/1279368200.db2.gz RVPJHJUTIROZJT-NSHDSACASA-N -1 0 348.321 2.813 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC000845226544 1279504201 /nfs/dbraw/zinc/50/42/01/1279504201.db2.gz CQQRYJDIOCBAQE-RQJABVFESA-N -1 0 330.409 2.773 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC000845226545 1279504870 /nfs/dbraw/zinc/50/48/70/1279504870.db2.gz CQQRYJDIOCBAQE-XJFOESAGSA-N -1 0 330.409 2.773 20 30 EFEDRM C=CCOCCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000815176918 1287366108 /nfs/dbraw/zinc/36/61/08/1287366108.db2.gz QBXIECJGKKCFDF-UHFFFAOYSA-N -1 0 349.408 2.571 20 30 EFEDRM CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000845514579 1279696860 /nfs/dbraw/zinc/69/68/60/1279696860.db2.gz VABQJNZZJCLHQA-UHFFFAOYSA-N -1 0 337.445 2.672 20 30 EFEDRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000793735463 1279850283 /nfs/dbraw/zinc/85/02/83/1279850283.db2.gz NMOPDRYZUJCYFI-AWEZNQCLSA-N -1 0 345.399 2.848 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845888442 1279913592 /nfs/dbraw/zinc/91/35/92/1279913592.db2.gz IHWNBJWVZUCNLH-OAHLLOKOSA-N -1 0 345.848 2.515 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc(OC)c1OC ZINC000846126141 1280029432 /nfs/dbraw/zinc/02/94/32/1280029432.db2.gz GNZFEMWTOKMPRL-HNNXBMFYSA-N -1 0 347.411 2.663 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000846149475 1280036947 /nfs/dbraw/zinc/03/69/47/1280036947.db2.gz NLBPSLISTNRXIX-GFCCVEGCSA-N -1 0 333.413 2.501 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000846152547 1280038340 /nfs/dbraw/zinc/03/83/40/1280038340.db2.gz BTIZARPBRKCVJN-LLVKDONJSA-N -1 0 334.372 2.535 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000846150999 1280038422 /nfs/dbraw/zinc/03/84/22/1280038422.db2.gz RKRPWGSHOCMBDR-UHFFFAOYSA-N -1 0 331.416 2.629 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000846152935 1280038575 /nfs/dbraw/zinc/03/85/75/1280038575.db2.gz CWRGXOTZOYYZBE-SNVBAGLBSA-N -1 0 326.780 2.690 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000846152857 1280038803 /nfs/dbraw/zinc/03/88/03/1280038803.db2.gz DOSTVSHJUBWJFP-SNVBAGLBSA-N -1 0 330.306 2.742 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000846150427 1280038840 /nfs/dbraw/zinc/03/88/40/1280038840.db2.gz GUZVIWIWHBRWJE-UHFFFAOYSA-N -1 0 348.346 2.903 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000846152926 1280038920 /nfs/dbraw/zinc/03/89/20/1280038920.db2.gz VPWFAQHXNMBFFI-SECBINFHSA-N -1 0 348.346 2.902 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000846156044 1280039202 /nfs/dbraw/zinc/03/92/02/1280039202.db2.gz JXNUAQHDDNLRAN-UWVGGRQHSA-N -1 0 346.305 2.577 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000846157720 1280040321 /nfs/dbraw/zinc/04/03/21/1280040321.db2.gz WHSNVRYLDVBEDG-AWEZNQCLSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000846155785 1280040673 /nfs/dbraw/zinc/04/06/73/1280040673.db2.gz WSTLOEOSBSIVIT-GFCCVEGCSA-N -1 0 334.416 2.871 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000846263656 1280090531 /nfs/dbraw/zinc/09/05/31/1280090531.db2.gz QROBCLHLFBDFHZ-UHFFFAOYSA-N -1 0 329.375 2.573 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846547103 1280239831 /nfs/dbraw/zinc/23/98/31/1280239831.db2.gz ILTAHYNSVRHTBY-GWCFXTLKSA-N -1 0 332.429 2.591 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@@H](c1ccc(OC)cc1)C(F)(F)F ZINC000805058487 1280435262 /nfs/dbraw/zinc/43/52/62/1280435262.db2.gz SLXNEPZFDNKMPZ-ZDUSSCGKSA-N -1 0 335.347 2.631 20 30 EFEDRM C#C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)C1 ZINC000846765631 1280468079 /nfs/dbraw/zinc/46/80/79/1280468079.db2.gz CCKYQPKTBGEMIG-CYBMUJFWSA-N -1 0 335.425 2.542 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747259786 1280693455 /nfs/dbraw/zinc/69/34/55/1280693455.db2.gz XYKNHDIXXUBQPQ-LBPRGKRZSA-N -1 0 336.376 2.749 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000805871824 1280830699 /nfs/dbraw/zinc/83/06/99/1280830699.db2.gz INBIBWAETIGBSU-UHFFFAOYSA-N -1 0 331.397 2.514 20 30 EFEDRM CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)c2c1 ZINC000805915194 1280870083 /nfs/dbraw/zinc/87/00/83/1280870083.db2.gz CSYVZPGDUMQBQO-UHFFFAOYSA-N -1 0 346.408 2.920 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1 ZINC000806637891 1281119395 /nfs/dbraw/zinc/11/93/95/1281119395.db2.gz YXGVZZOFJUQANE-LBPRGKRZSA-N -1 0 342.417 2.633 20 30 EFEDRM CC[C@H]1CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000807963094 1281480405 /nfs/dbraw/zinc/48/04/05/1281480405.db2.gz VODJZPKDOSKDBA-LBPRGKRZSA-N -1 0 345.428 2.865 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000808070976 1281515568 /nfs/dbraw/zinc/51/55/68/1281515568.db2.gz HXVYVLJZIBDMCB-UHFFFAOYSA-N -1 0 332.168 2.841 20 30 EFEDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000808094026 1281533295 /nfs/dbraw/zinc/53/32/95/1281533295.db2.gz YPGYHYHLCTZCEK-UHFFFAOYSA-N -1 0 341.732 2.822 20 30 EFEDRM C[C@H](C#N)c1cccc(C(=O)Nc2nc[n-]c(=O)c2Br)c1 ZINC001148609535 1281652050 /nfs/dbraw/zinc/65/20/50/1281652050.db2.gz FLUTZXVPCIBZNX-MRVPVSSYSA-N -1 0 347.172 2.824 20 30 EFEDRM O=C(/C=C/NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(F)(F)F ZINC001148799866 1281764144 /nfs/dbraw/zinc/76/41/44/1281764144.db2.gz YWLAURPNHLFERA-ONEGZZNKSA-N -1 0 327.180 2.786 20 30 EFEDRM Cc1ccc(C(=NC(=O)c2ccc(C(F)(F)F)cc2[O-])NO)nc1 ZINC001148799394 1281765274 /nfs/dbraw/zinc/76/52/74/1281765274.db2.gz NJSAYXLIXKODNF-UHFFFAOYSA-N -1 0 339.273 2.680 20 30 EFEDRM N#Cc1cnc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC001148813849 1281770276 /nfs/dbraw/zinc/77/02/76/1281770276.db2.gz JWMPFWRSDZNTAP-UHFFFAOYSA-N -1 0 328.180 2.957 20 30 EFEDRM C=C[C@@H]1C[C@]1(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)OCC ZINC001148814806 1281773188 /nfs/dbraw/zinc/77/31/88/1281773188.db2.gz XXBBWYDIKZDHCG-ANRSDYALSA-N -1 0 344.194 2.937 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1O)c1ccccc1 ZINC001148935227 1281814448 /nfs/dbraw/zinc/81/44/48/1281814448.db2.gz ZKCYLKSEBBPQNG-OAHLLOKOSA-N -1 0 347.392 2.686 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc([O-])c(Br)c(O)c2)ccc1O ZINC001148987772 1281834870 /nfs/dbraw/zinc/83/48/70/1281834870.db2.gz CZKGOWUKJPDXHY-UHFFFAOYSA-N -1 0 349.140 2.690 20 30 EFEDRM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3F)n[nH]c21 ZINC000808675350 1281859834 /nfs/dbraw/zinc/85/98/34/1281859834.db2.gz DHXKHESJUIUYQD-UHFFFAOYSA-N -1 0 325.299 2.939 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808980300 1281982017 /nfs/dbraw/zinc/98/20/17/1281982017.db2.gz XQVUSQILPRHWEJ-LBPRGKRZSA-N -1 0 339.317 2.872 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808980299 1281982027 /nfs/dbraw/zinc/98/20/27/1281982027.db2.gz XQVUSQILPRHWEJ-GFCCVEGCSA-N -1 0 339.317 2.872 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809065298 1282010513 /nfs/dbraw/zinc/01/05/13/1282010513.db2.gz XJYXNIDNXZRWDQ-UHFFFAOYSA-N -1 0 339.457 2.704 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)ccc1O ZINC000809155328 1282066852 /nfs/dbraw/zinc/06/68/52/1282066852.db2.gz ULOWWTFXABALSD-LZCJLJQNSA-N -1 0 337.331 2.871 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000809154548 1282067056 /nfs/dbraw/zinc/06/70/56/1282067056.db2.gz XZSVSBIDOSOUNY-SOFGYWHQSA-N -1 0 349.346 2.876 20 30 EFEDRM CCOC(=O)c1cnc(N=NC(C)c2cccc(O)c2F)nc1C ZINC000872363390 1287552620 /nfs/dbraw/zinc/55/26/20/1287552620.db2.gz XDVYPJDWOGFFJI-UHFFFAOYSA-N -1 0 332.335 2.643 20 30 EFEDRM [O-]c1c(C=NN2CCC2)ccc(Cl)c1I ZINC000872397199 1287563342 /nfs/dbraw/zinc/56/33/42/1287563342.db2.gz JWTKKKCXZCEZPW-UHFFFAOYSA-N -1 0 336.560 2.690 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNC[C@H]2CCCC2(F)F)c1)C(=O)[O-] ZINC000872407840 1287566387 /nfs/dbraw/zinc/56/63/87/1287566387.db2.gz FDGUCXIMQLFDHQ-DGCLKSJQSA-N -1 0 326.343 2.897 20 30 EFEDRM CSc1nnc(SC)n1N=Cc1cc(C(=O)[O-])c(C)cc1C ZINC000872417779 1287571272 /nfs/dbraw/zinc/57/12/72/1287571272.db2.gz NXDQMGCBZHTOOI-UHFFFAOYSA-N -1 0 336.442 2.919 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810065706 1282845160 /nfs/dbraw/zinc/84/51/60/1282845160.db2.gz CGJIRCMNMCZFNE-LLVKDONJSA-N -1 0 343.324 2.588 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)SCC(=O)N3)c1 ZINC000810467618 1283240771 /nfs/dbraw/zinc/24/07/71/1283240771.db2.gz WSXPBIQFFDBRPL-UHFFFAOYSA-N -1 0 325.349 2.560 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000810610958 1283430435 /nfs/dbraw/zinc/43/04/35/1283430435.db2.gz ZMAPAECFYLHKEL-UHFFFAOYSA-N -1 0 347.823 2.510 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000810630865 1283444354 /nfs/dbraw/zinc/44/43/54/1283444354.db2.gz MKWLRCXVZKWPEC-UHFFFAOYSA-N -1 0 331.796 2.642 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000810669368 1283474625 /nfs/dbraw/zinc/47/46/25/1283474625.db2.gz RFSSHTQURGUPOO-UHFFFAOYSA-N -1 0 330.409 2.617 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000810782616 1283585646 /nfs/dbraw/zinc/58/56/46/1283585646.db2.gz VFDKCOLTPDZFSV-UHFFFAOYSA-N -1 0 349.358 2.715 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC000810782040 1283585684 /nfs/dbraw/zinc/58/56/84/1283585684.db2.gz GSJNNFVJYSANKU-KTKRTIGZSA-N -1 0 346.235 2.866 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000810782631 1283585855 /nfs/dbraw/zinc/58/58/55/1283585855.db2.gz QMKQZCNZNUNWKW-UHFFFAOYSA-N -1 0 344.436 2.520 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000810784264 1283587955 /nfs/dbraw/zinc/58/79/55/1283587955.db2.gz YOJQDDYVPWNNGG-UHFFFAOYSA-N -1 0 347.367 2.701 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000810784852 1283588034 /nfs/dbraw/zinc/58/80/34/1283588034.db2.gz PXMHMLJRJWSEBG-UHFFFAOYSA-N -1 0 329.421 2.587 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000810772249 1283625332 /nfs/dbraw/zinc/62/53/32/1283625332.db2.gz XMGRPOJKRAXMKN-UHFFFAOYSA-N -1 0 342.420 2.504 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000810777388 1283633248 /nfs/dbraw/zinc/63/32/48/1283633248.db2.gz BGHUVACAKQCWCT-NWDGAFQWSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1c(C)c(C)oc1-c1ccccc1 ZINC000810775455 1283633840 /nfs/dbraw/zinc/63/38/40/1283633840.db2.gz GZOJXCWWMYLPNB-UHFFFAOYSA-N -1 0 331.393 2.646 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000810777169 1283634329 /nfs/dbraw/zinc/63/43/29/1283634329.db2.gz CGBCQDJIORHUDA-UHFFFAOYSA-N -1 0 347.367 2.701 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000810775625 1283634461 /nfs/dbraw/zinc/63/44/61/1283634461.db2.gz NILKGPALYQEQHL-UHFFFAOYSA-N -1 0 345.395 2.884 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000810776769 1283634563 /nfs/dbraw/zinc/63/45/63/1283634563.db2.gz HTDKLFNMFCJIJU-CVEARBPZSA-N -1 0 343.489 2.611 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000810780428 1283642682 /nfs/dbraw/zinc/64/26/82/1283642682.db2.gz CCZVMFNGVFAUNU-UHFFFAOYSA-N -1 0 327.833 2.720 20 30 EFEDRM COc1cc(C)nc([N-]N=C(c2c(C)nn(C)c2C)C(F)(F)F)n1 ZINC000747634328 1283689990 /nfs/dbraw/zinc/68/99/90/1283689990.db2.gz DORNHGCKEDCJIQ-UHFFFAOYSA-N -1 0 342.325 2.522 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2coc3cc(C)ccc23)CC1 ZINC000810979435 1283882959 /nfs/dbraw/zinc/88/29/59/1283882959.db2.gz CIRQCPBTZBVHDG-UHFFFAOYSA-N -1 0 333.409 2.838 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000810980571 1283884742 /nfs/dbraw/zinc/88/47/42/1283884742.db2.gz BVDIKKRQZSVOHA-UHFFFAOYSA-N -1 0 338.816 2.990 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cccc(Cl)c2)CC1 ZINC000810981484 1283885328 /nfs/dbraw/zinc/88/53/28/1283885328.db2.gz CTKXPLNCAQCVBG-UHFFFAOYSA-N -1 0 327.833 2.827 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(/C)c2ccccc2OC)CC1 ZINC000810981449 1283898600 /nfs/dbraw/zinc/89/86/00/1283898600.db2.gz CDHIZRLFBJUPGI-SEYXRHQNSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2cc(C)ccc2C)CC1 ZINC000810982601 1283907213 /nfs/dbraw/zinc/90/72/13/1283907213.db2.gz UQOXGWRYTYXCFI-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000810983789 1283907269 /nfs/dbraw/zinc/90/72/69/1283907269.db2.gz ZGLBYYGWYULLGM-ZDUSSCGKSA-N -1 0 337.466 2.821 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000810982478 1283907640 /nfs/dbraw/zinc/90/76/40/1283907640.db2.gz RPNSFDCBMXEKQT-GHMZBOCLSA-N -1 0 339.379 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC000810983750 1283907680 /nfs/dbraw/zinc/90/76/80/1283907680.db2.gz YDSGBBRNOILZCL-KRWDZBQOSA-N -1 0 333.453 2.736 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000810982346 1283907880 /nfs/dbraw/zinc/90/78/80/1283907880.db2.gz OWZJMKIHTBTUCP-UHFFFAOYSA-N -1 0 329.805 2.517 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(CC)c3ccccc23)CC1 ZINC000810983442 1283907917 /nfs/dbraw/zinc/90/79/17/1283907917.db2.gz BCZUZRXIUSFYAZ-UHFFFAOYSA-N -1 0 332.425 2.830 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CO[C@H]2CCCC[C@@H]2CC)CC1 ZINC000810984683 1283909522 /nfs/dbraw/zinc/90/95/22/1283909522.db2.gz JUKJKRJVIGPZHC-KBPBESRZSA-N -1 0 329.462 2.527 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C)cc2Cl)CC1 ZINC000810984276 1283911998 /nfs/dbraw/zinc/91/19/98/1283911998.db2.gz YIOGVSHMIITXDC-UHFFFAOYSA-N -1 0 327.833 2.746 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000810984456 1283912007 /nfs/dbraw/zinc/91/20/07/1283912007.db2.gz BIFWZRVAJAFKEV-UHFFFAOYSA-N -1 0 333.331 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000810984546 1283912577 /nfs/dbraw/zinc/91/25/77/1283912577.db2.gz FJBNMONSORDKBE-UHFFFAOYSA-N -1 0 331.796 2.576 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000810985935 1283913435 /nfs/dbraw/zinc/91/34/35/1283913435.db2.gz VCETVSWOJAOYJQ-UHFFFAOYSA-N -1 0 325.455 2.795 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2F)CC1 ZINC000810985927 1283914273 /nfs/dbraw/zinc/91/42/73/1283914273.db2.gz UZRNTRAARLAEJS-LBPRGKRZSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)C(C)(C)CO3)CC1 ZINC000810988901 1283915081 /nfs/dbraw/zinc/91/50/81/1283915081.db2.gz SDJWZCHCGARDCA-UHFFFAOYSA-N -1 0 335.425 2.525 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCSc2ccccc2F)CC1 ZINC000810986196 1283915346 /nfs/dbraw/zinc/91/53/46/1283915346.db2.gz QNYUBKJBFFRDNT-UHFFFAOYSA-N -1 0 343.445 2.863 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000810987935 1283915513 /nfs/dbraw/zinc/91/55/13/1283915513.db2.gz FSMPZBIMSSLOJA-UHFFFAOYSA-N -1 0 333.453 2.663 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC000810986065 1283915658 /nfs/dbraw/zinc/91/56/58/1283915658.db2.gz NGBRXGOBIITHMZ-UHFFFAOYSA-N -1 0 332.425 2.574 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2C)CC1 ZINC000810986011 1283915894 /nfs/dbraw/zinc/91/58/94/1283915894.db2.gz MGRFAVYMLVMYAM-UHFFFAOYSA-N -1 0 337.441 2.709 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000810988233 1283917262 /nfs/dbraw/zinc/91/72/62/1283917262.db2.gz MOWQWBKZDZRHDK-CYBMUJFWSA-N -1 0 339.844 2.925 20 30 EFEDRM C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811190857 1284103420 /nfs/dbraw/zinc/10/34/20/1284103420.db2.gz VTNMQHMMIKFQLQ-SFHVURJKSA-N -1 0 332.352 2.599 20 30 EFEDRM C=CCCCCCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000811589965 1284427209 /nfs/dbraw/zinc/42/72/09/1284427209.db2.gz MRSMVTUTJKTMHH-UHFFFAOYSA-N -1 0 330.432 2.516 20 30 EFEDRM C=CCCCCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000811590813 1284428684 /nfs/dbraw/zinc/42/86/84/1284428684.db2.gz MLXDOSWIKQVZFE-UHFFFAOYSA-N -1 0 330.388 2.692 20 30 EFEDRM Cc1cc(=O)[nH]c(NN=C2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811628668 1284443770 /nfs/dbraw/zinc/44/37/70/1284443770.db2.gz HXSWNEYGVUKMQO-UHFFFAOYSA-N -1 0 326.356 2.731 20 30 EFEDRM CC[C@@H](O)CNN=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000811657743 1284464423 /nfs/dbraw/zinc/46/44/23/1284464423.db2.gz SBOWVKZELBEXPD-MRXNPFEDSA-N -1 0 342.395 2.658 20 30 EFEDRM CC(=CN=Nc1nnc(C)c(=O)[n-]1)Cc1ccccc1OC(F)F ZINC000811632664 1284465452 /nfs/dbraw/zinc/46/54/52/1284465452.db2.gz YFKOINIDFFNTEC-XIQOPVJWSA-N -1 0 335.314 2.988 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000811666470 1284495109 /nfs/dbraw/zinc/49/51/09/1284495109.db2.gz DWUMVKMZWSHSRO-GJZGRUSLSA-N -1 0 342.395 2.930 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1O ZINC000811698199 1284545349 /nfs/dbraw/zinc/54/53/49/1284545349.db2.gz JEVUUMLVTZZPAY-HWKANZROSA-N -1 0 345.307 2.919 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Br)c2)C(=O)O1 ZINC000105639138 1284988616 /nfs/dbraw/zinc/98/86/16/1284988616.db2.gz ZOALIJLVCRHSJJ-GXMNPTEKSA-N -1 0 335.153 2.677 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c(C(F)F)n1 ZINC000812240655 1284996768 /nfs/dbraw/zinc/99/67/68/1284996768.db2.gz PTYAQJKIRSLYRD-AATRIKPKSA-N -1 0 336.294 2.717 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cocn1 ZINC000105757136 1285135168 /nfs/dbraw/zinc/13/51/68/1285135168.db2.gz TXLIYHIIEAISSV-VIFPVBQESA-N -1 0 333.731 2.606 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(F)c1F ZINC000813194318 1285724572 /nfs/dbraw/zinc/72/45/72/1285724572.db2.gz WAWMZBHKSNGKIW-UHFFFAOYSA-N -1 0 330.356 2.552 20 30 EFEDRM N#CCOc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000813412465 1285894407 /nfs/dbraw/zinc/89/44/07/1285894407.db2.gz CCFLWIPEDQQMFB-UHFFFAOYSA-N -1 0 334.335 2.733 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)CCC)C(C)(C)C ZINC000813779108 1286114037 /nfs/dbraw/zinc/11/40/37/1286114037.db2.gz DDVAUAGEBSMACR-OAHLLOKOSA-N -1 0 336.457 2.616 20 30 EFEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983588 1286231133 /nfs/dbraw/zinc/23/11/33/1286231133.db2.gz YVAOQCCWDHKBOI-ZDUSSCGKSA-N -1 0 337.445 2.755 20 30 EFEDRM CCN(Cc1ccccc1)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1 ZINC000814232986 1286428940 /nfs/dbraw/zinc/42/89/40/1286428940.db2.gz WDIFMGSBUAFERY-UHFFFAOYSA-N -1 0 337.383 2.598 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000814717176 1286963016 /nfs/dbraw/zinc/96/30/16/1286963016.db2.gz BBZSUCYDRUYKKH-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM CO[C@H]1C[C@@H](c2ccccc2)CCC1N=Nc1nnc(C)c(=O)[n-]1 ZINC000814734702 1286975308 /nfs/dbraw/zinc/97/53/08/1286975308.db2.gz HJNWTHSCXSGOQK-ZFWWWQNUSA-N -1 0 327.388 2.636 20 30 EFEDRM Cc1nnc(N=NC2CC(c3ccc(Br)cc3)C2)[n-]c1=O ZINC000814734544 1286975344 /nfs/dbraw/zinc/97/53/44/1286975344.db2.gz FMYJJMXHTAEVRI-UHFFFAOYSA-N -1 0 348.204 2.994 20 30 EFEDRM COc1ccc2c(c1)C(=NNc1nnc(C)c(=O)[n-]1)CCCS2 ZINC000814734390 1286976014 /nfs/dbraw/zinc/97/60/14/1286976014.db2.gz AWCDBFAFEFWEIO-UHFFFAOYSA-N -1 0 331.401 2.596 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814770509 1287013375 /nfs/dbraw/zinc/01/33/75/1287013375.db2.gz HSGFVFWJTXNYQB-WCQYABFASA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)NCCc2cccs2)CC[C@H]1C(=O)[O-] ZINC000814791833 1287022405 /nfs/dbraw/zinc/02/24/05/1287022405.db2.gz AUMJSBJWONUCQZ-ZWNOBZJWSA-N -1 0 339.486 2.632 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1cnccn1 ZINC000814797721 1287028218 /nfs/dbraw/zinc/02/82/18/1287028218.db2.gz UCAJRXPJVOEFTC-UHFFFAOYSA-N -1 0 328.372 2.751 20 30 EFEDRM CC(C)(C)c1ncc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cn1 ZINC000814781015 1287033004 /nfs/dbraw/zinc/03/30/04/1287033004.db2.gz RKMMCNUQLMFNNA-UHFFFAOYSA-N -1 0 339.424 2.655 20 30 EFEDRM O=C([O-])c1cccc(C=NNc2cn[nH]c(=O)c2Cl)c1Cl ZINC000814783156 1287036781 /nfs/dbraw/zinc/03/67/81/1287036781.db2.gz XHOIUNYKPFPBLW-UHFFFAOYSA-N -1 0 327.127 2.633 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)NCc2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000814785978 1287036975 /nfs/dbraw/zinc/03/69/75/1287036975.db2.gz PIZUZHXEFDJJSF-YGRLFVJLSA-N -1 0 337.420 2.667 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502583 1287042711 /nfs/dbraw/zinc/04/27/11/1287042711.db2.gz BCROVYLBSHXCCV-UHFFFAOYSA-N -1 0 347.308 2.756 20 30 EFEDRM Oc1cc(F)c(Cl)cc1C=NNC(=S)NCC(F)(F)F ZINC000814821641 1287055607 /nfs/dbraw/zinc/05/56/07/1287055607.db2.gz DJZPNLVDUUATAE-UHFFFAOYSA-N -1 0 329.706 2.545 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc(-n3cccn3)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814806844 1287076930 /nfs/dbraw/zinc/07/69/30/1287076930.db2.gz TYBNNEFYUQQXKQ-VXGBXAGGSA-N -1 0 342.403 2.587 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C(C)CC2(C(=O)[O-])CCC2)c1 ZINC000814831540 1287078926 /nfs/dbraw/zinc/07/89/26/1287078926.db2.gz GNLSVVSFACKJMG-UHFFFAOYSA-N -1 0 329.425 2.975 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000814838080 1287086271 /nfs/dbraw/zinc/08/62/71/1287086271.db2.gz AEBHERIJYRAIFO-ABAIWWIYSA-N -1 0 348.472 2.916 20 30 EFEDRM Cc1ccc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)nn1 ZINC000814840491 1287093000 /nfs/dbraw/zinc/09/30/00/1287093000.db2.gz LSYPNQKJFOFUQV-UHFFFAOYSA-N -1 0 328.372 2.865 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)c(C#N)c1 ZINC001174687660 1287114286 /nfs/dbraw/zinc/11/42/86/1287114286.db2.gz BISYGCAPEQPBHL-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174687476 1287114925 /nfs/dbraw/zinc/11/49/25/1287114925.db2.gz VNZZWCCPBLZEHI-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM O=S(=O)(NN=Cc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000814875670 1287115998 /nfs/dbraw/zinc/11/59/98/1287115998.db2.gz RDOGUKGDRZAHCI-UHFFFAOYSA-N -1 0 346.742 2.636 20 30 EFEDRM COC(=O)c1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)nc1 ZINC000814888546 1287131164 /nfs/dbraw/zinc/13/11/64/1287131164.db2.gz FGOVLLFJNRCXHZ-UHFFFAOYSA-N -1 0 333.731 2.666 20 30 EFEDRM CC(N=Nc1ncc(F)cn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814889347 1287131179 /nfs/dbraw/zinc/13/11/79/1287131179.db2.gz KGYCKBQQYYTHKF-UHFFFAOYSA-N -1 0 332.335 2.695 20 30 EFEDRM O=C([O-])C1CC(N=Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000814906980 1287145949 /nfs/dbraw/zinc/14/59/49/1287145949.db2.gz PPFRAGIRTFFFFY-UHFFFAOYSA-N -1 0 328.122 2.620 20 30 EFEDRM COc1nccnc1N=NC1CC(C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC000814905232 1287146206 /nfs/dbraw/zinc/14/62/06/1287146206.db2.gz BAPMCWXTQPTRCU-UHFFFAOYSA-N -1 0 346.774 2.723 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@H]1CCCOC1 ZINC000814907904 1287148214 /nfs/dbraw/zinc/14/82/14/1287148214.db2.gz CDSQFYGSCOAUCN-INIZCTEOSA-N -1 0 334.416 2.617 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCCOC1 ZINC000814909461 1287148348 /nfs/dbraw/zinc/14/83/48/1287148348.db2.gz YLLQPBJJPCFVCV-GDBMZVCRSA-N -1 0 334.416 2.616 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNC(=S)Nc1ccccn1 ZINC000814882255 1287151241 /nfs/dbraw/zinc/15/12/41/1287151241.db2.gz FIZFIMZGEWDGDZ-UHFFFAOYSA-N -1 0 328.397 2.717 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1cncnc1 ZINC000814926893 1287159388 /nfs/dbraw/zinc/15/93/88/1287159388.db2.gz OPKVDUWZYQOINC-UHFFFAOYSA-N -1 0 328.372 2.751 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@@H]1CCSC1 ZINC000814933161 1287165104 /nfs/dbraw/zinc/16/51/04/1287165104.db2.gz GEBMRBYAQAPXRK-OAHLLOKOSA-N -1 0 336.457 2.944 20 30 EFEDRM CC(=NNC[C@H]1CCSC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814935869 1287165178 /nfs/dbraw/zinc/16/51/78/1287165178.db2.gz SBNGSLGFTVNPIA-CQSZACIVSA-N -1 0 336.457 2.997 20 30 EFEDRM CC[C@@H](NN=C1COc2c1cc(Cl)cc2Br)C(=O)[O-] ZINC000814938005 1287168534 /nfs/dbraw/zinc/16/85/34/1287168534.db2.gz TWBHMLVSQDBALL-SECBINFHSA-N -1 0 347.596 2.652 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000814911203 1287172419 /nfs/dbraw/zinc/17/24/19/1287172419.db2.gz WWXJZIHKZWBLKA-ZJUUUORDSA-N -1 0 331.401 2.889 20 30 EFEDRM C[C@H]1CC(N=Nc2nnc(-c3ccccn3)s2)CC[C@@H]1C(=O)[O-] ZINC000814911212 1287172624 /nfs/dbraw/zinc/17/26/24/1287172624.db2.gz XBRQYXKXJLVJDF-ONGXEEELSA-N -1 0 331.401 2.889 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NOC[C@@H]1CCOC1 ZINC000814912285 1287173164 /nfs/dbraw/zinc/17/31/64/1287173164.db2.gz OTERJYOTUOHPPM-MRXNPFEDSA-N -1 0 335.400 2.902 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1cnn(C)c1 ZINC000814915410 1287174256 /nfs/dbraw/zinc/17/42/56/1287174256.db2.gz VEYWQAOSHUTGQZ-ZDUSSCGKSA-N -1 0 330.388 2.693 20 30 EFEDRM COc1cc(C(C)N=Nc2nccn2C)ccc1OCCCC(=O)[O-] ZINC000814918951 1287176876 /nfs/dbraw/zinc/17/68/76/1287176876.db2.gz JKUNNZMIOLZBNO-UHFFFAOYSA-N -1 0 346.387 2.508 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815905162 1287874809 /nfs/dbraw/zinc/87/48/09/1287874809.db2.gz BMTOGXJDTSKDTL-INIZCTEOSA-N -1 0 326.396 2.834 20 30 EFEDRM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000815906480 1287875060 /nfs/dbraw/zinc/87/50/60/1287875060.db2.gz ARTITHVFVHNGIM-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM COC(=O)c1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c[nH]1 ZINC000815899669 1287889153 /nfs/dbraw/zinc/88/91/53/1287889153.db2.gz YNDFPTWYAKHVTA-CYBMUJFWSA-N -1 0 349.346 2.796 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000815913521 1287905116 /nfs/dbraw/zinc/90/51/16/1287905116.db2.gz UJJWEHNETOCDIE-JTQLQIEISA-N -1 0 344.325 2.841 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000815913522 1287905356 /nfs/dbraw/zinc/90/53/56/1287905356.db2.gz UJJWEHNETOCDIE-SNVBAGLBSA-N -1 0 344.325 2.841 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC3CCC2CC3)CCCCC1 ZINC000816019832 1287955862 /nfs/dbraw/zinc/95/58/62/1287955862.db2.gz YNIFRZADVKLOAN-YMAMQOFZSA-N -1 0 338.473 2.733 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C(F)=C\C2CCCCC2)CCC1 ZINC000816025672 1287959367 /nfs/dbraw/zinc/95/93/67/1287959367.db2.gz AJVQVUGNTHZUGN-UKTHLTGXSA-N -1 0 328.409 2.560 20 30 EFEDRM C=CCn1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cn1 ZINC001176548987 1288033017 /nfs/dbraw/zinc/03/30/17/1288033017.db2.gz XZJRKLGVBWBUIR-UHFFFAOYSA-N -1 0 347.227 2.759 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673599 1288065214 /nfs/dbraw/zinc/06/52/14/1288065214.db2.gz XJQKNHYMGOGPSZ-UHFFFAOYSA-N -1 0 329.316 2.860 20 30 EFEDRM CCCOCC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000069363858 1289164267 /nfs/dbraw/zinc/16/42/67/1289164267.db2.gz JFODKDJLYZVKFY-UHFFFAOYSA-N -1 0 342.236 2.582 20 30 EFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000797090946 1288268135 /nfs/dbraw/zinc/26/81/35/1288268135.db2.gz OEJGQEBKFGYRQF-UHFFFAOYSA-N -1 0 332.425 2.885 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OC[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000816977092 1288357721 /nfs/dbraw/zinc/35/77/21/1288357721.db2.gz QQDKIKNVJHYLCT-KBXCAEBGSA-N -1 0 338.448 2.873 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000817351958 1288545693 /nfs/dbraw/zinc/54/56/93/1288545693.db2.gz FMPBUTXEIMIJJH-AWEZNQCLSA-N -1 0 343.420 2.641 20 30 EFEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C/C(=O)c1c(C)nn(C)c1C ZINC000863185684 1302551297 /nfs/dbraw/zinc/55/12/97/1302551297.db2.gz ZFJWUNVMOUXJQF-VOTSOKGWSA-N -1 0 344.367 2.648 20 30 EFEDRM COc1ccc([C@@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123014737 1305221178 /nfs/dbraw/zinc/22/11/78/1305221178.db2.gz HIHIYZCRYYSUQW-WFASDCNBSA-N -1 0 325.368 2.514 20 30 EFEDRM C[C@H](CCc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000870243450 1305221837 /nfs/dbraw/zinc/22/18/37/1305221837.db2.gz NLNVAWUJTAOGME-IUODEOHRSA-N -1 0 327.359 2.720 20 30 EFEDRM C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])N(C)C(=O)OC(C)(C)C ZINC001179595899 1289194010 /nfs/dbraw/zinc/19/40/10/1289194010.db2.gz LFSYPDDZEDUYJC-VIFPVBQESA-N -1 0 337.351 2.597 20 30 EFEDRM COc1ccc(COCC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001181753319 1289929323 /nfs/dbraw/zinc/92/93/23/1289929323.db2.gz ITLHWYHQWRMISG-UHFFFAOYSA-N -1 0 330.315 2.567 20 30 EFEDRM Cc1cc(C)c(NC(=O)Cc2ccccc2C#N)c(S(=O)(=O)[O-])c1 ZINC001181800339 1289942504 /nfs/dbraw/zinc/94/25/04/1289942504.db2.gz WOOQCKCNEFZEIA-UHFFFAOYSA-N -1 0 344.392 2.603 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cc1C(C)C ZINC000873583144 1289943226 /nfs/dbraw/zinc/94/32/26/1289943226.db2.gz GEAYLECCYUDWLP-UHFFFAOYSA-N -1 0 338.429 2.707 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cc(C#N)ccc1[O-])C2 ZINC001232674956 1312757330 /nfs/dbraw/zinc/75/73/30/1312757330.db2.gz HZLGPQLXSYCMDX-UHFFFAOYSA-N -1 0 343.427 2.849 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC000873934423 1290128232 /nfs/dbraw/zinc/12/82/32/1290128232.db2.gz LEXHSECEDLUORS-UHFFFAOYSA-N -1 0 330.306 2.885 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2Cl)cc1Cl ZINC000774077677 1290131914 /nfs/dbraw/zinc/13/19/14/1290131914.db2.gz FTQXLMFTARKSFO-UHFFFAOYSA-N -1 0 345.163 2.577 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c1 ZINC001232681816 1312760400 /nfs/dbraw/zinc/76/04/00/1312760400.db2.gz VZOBWXOXJKPAJF-QGZVFWFLSA-N -1 0 335.398 2.959 20 30 EFEDRM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1cc(C#N)ccc1[O-] ZINC001232680906 1312761155 /nfs/dbraw/zinc/76/11/55/1312761155.db2.gz IRDLAWIBXRUMRH-INIZCTEOSA-N -1 0 346.427 2.587 20 30 EFEDRM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001183887503 1290402034 /nfs/dbraw/zinc/40/20/34/1290402034.db2.gz KZVCZNVHRWUZKX-UHFFFAOYSA-N -1 0 348.288 2.666 20 30 EFEDRM N#Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3[S-])OC2=O)c1 ZINC001184377403 1290452106 /nfs/dbraw/zinc/45/21/06/1290452106.db2.gz CZBJZLXQYIESJP-AWEZNQCLSA-N -1 0 339.376 2.811 20 30 EFEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185288019 1290639870 /nfs/dbraw/zinc/63/98/70/1290639870.db2.gz GGPOOLZQCPDOHP-UHFFFAOYSA-N -1 0 343.445 2.984 20 30 EFEDRM N#Cc1ncc(Br)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185350697 1290648026 /nfs/dbraw/zinc/64/80/26/1290648026.db2.gz IYRSSIYGGQFITP-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)nc2ccccc12 ZINC000795627455 1290671860 /nfs/dbraw/zinc/67/18/60/1290671860.db2.gz ZSBOENRYWBWHHA-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836558 1290768549 /nfs/dbraw/zinc/76/85/49/1290768549.db2.gz QUYONLUKJOINKK-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000092698321 1290825590 /nfs/dbraw/zinc/82/55/90/1290825590.db2.gz VDVFMSFBKZPQRJ-UHFFFAOYSA-N -1 0 345.424 2.604 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)cc1F ZINC001186263282 1290916773 /nfs/dbraw/zinc/91/67/73/1290916773.db2.gz PTDLXBRIRVUZAQ-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC001186375545 1290951643 /nfs/dbraw/zinc/95/16/43/1290951643.db2.gz VLGYDXCEMCTANK-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1F ZINC000126186964 1291037576 /nfs/dbraw/zinc/03/75/76/1291037576.db2.gz LHIIPUWTZLEJNW-UHFFFAOYSA-N -1 0 349.343 2.909 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C#N ZINC001187044680 1291082466 /nfs/dbraw/zinc/08/24/66/1291082466.db2.gz ZDBFTRSAQAVMBR-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000093242121 1291082837 /nfs/dbraw/zinc/08/28/37/1291082837.db2.gz SUFYWXGEOJLKTQ-UHFFFAOYSA-N -1 0 334.397 2.791 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000126320301 1291114153 /nfs/dbraw/zinc/11/41/53/1291114153.db2.gz NPCKLAUHLUWOOP-SNVBAGLBSA-N -1 0 328.397 2.797 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187583335 1291192148 /nfs/dbraw/zinc/19/21/48/1291192148.db2.gz XCRAQPHSCGXTSJ-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM C[C@@](C#N)([N-]S(=O)(=O)c1nccs1)c1ccccc1Cl ZINC001187913532 1291258178 /nfs/dbraw/zinc/25/81/78/1291258178.db2.gz ZEQOIJVUBHCZBV-LBPRGKRZSA-N -1 0 327.818 2.514 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)nc(OC)n1 ZINC001187993080 1291280521 /nfs/dbraw/zinc/28/05/21/1291280521.db2.gz HSEXQOPFPWYIBJ-UHFFFAOYSA-N -1 0 331.438 2.596 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ncccc1C(=O)NC ZINC001188001227 1291282585 /nfs/dbraw/zinc/28/25/85/1291282585.db2.gz IHEHTTSFJSTCQZ-UHFFFAOYSA-N -1 0 327.450 2.543 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cccc(O)c3F)CC2)c(F)c1 ZINC001233058157 1312846219 /nfs/dbraw/zinc/84/62/19/1312846219.db2.gz UKMOOWKNTJHEGP-UHFFFAOYSA-N -1 0 329.350 2.864 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071153 1291305489 /nfs/dbraw/zinc/30/54/89/1291305489.db2.gz MZYNRCWCMWUHFC-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188143904 1291317735 /nfs/dbraw/zinc/31/77/35/1291317735.db2.gz FYFLXIDIVIHFKB-UHFFFAOYSA-N -1 0 333.182 2.754 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2nc(C(F)(F)F)c[nH]2)cc1C#N ZINC001188288533 1291351539 /nfs/dbraw/zinc/35/15/39/1291351539.db2.gz ZUKANYCZDJQVOM-UHFFFAOYSA-N -1 0 337.261 2.511 20 30 EFEDRM N#Cc1cc(N)c(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1C#N ZINC001188589697 1291428996 /nfs/dbraw/zinc/42/89/96/1291428996.db2.gz WEXNTAZMDLPWMR-UHFFFAOYSA-N -1 0 346.268 2.989 20 30 EFEDRM C=C[C@H]1C[C@]1(NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(=O)OCC ZINC001188587769 1291429827 /nfs/dbraw/zinc/42/98/27/1291429827.db2.gz AQBFGXSVKRFWQG-ZUZCIYMTSA-N -1 0 343.301 2.649 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1 ZINC001188734422 1291455490 /nfs/dbraw/zinc/45/54/90/1291455490.db2.gz CDHDPCOERMBKAQ-UHFFFAOYSA-N -1 0 329.377 2.784 20 30 EFEDRM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCN(O)C3=O)cc2)cs1 ZINC000878092301 1291489993 /nfs/dbraw/zinc/48/99/93/1291489993.db2.gz QPNCQSJJFZFLQG-CYBMUJFWSA-N -1 0 346.412 2.620 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1C#N ZINC001189064420 1291566906 /nfs/dbraw/zinc/56/69/06/1291566906.db2.gz VKPDUGYLTNTINB-UHFFFAOYSA-N -1 0 341.845 2.961 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189073931 1291572901 /nfs/dbraw/zinc/57/29/01/1291572901.db2.gz ZFIZPCZKKPFZBL-UHFFFAOYSA-N -1 0 335.816 2.900 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001189191781 1291605495 /nfs/dbraw/zinc/60/54/95/1291605495.db2.gz QRTLHZSUCJAMGF-UHFFFAOYSA-N -1 0 346.412 2.513 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC001189274339 1291663481 /nfs/dbraw/zinc/66/34/81/1291663481.db2.gz JLLUZUSAHPDGOX-UHFFFAOYSA-N -1 0 326.324 2.988 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189420099 1291720243 /nfs/dbraw/zinc/72/02/43/1291720243.db2.gz OUGKVZCNHBKWJL-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1C#N ZINC001189491389 1291736458 /nfs/dbraw/zinc/73/64/58/1291736458.db2.gz QIVVEHIZEUXXTD-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC001189499546 1291737904 /nfs/dbraw/zinc/73/79/04/1291737904.db2.gz XIPUUHHZCNMHEY-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cnc2C#N)c1 ZINC001189577695 1291768985 /nfs/dbraw/zinc/76/89/85/1291768985.db2.gz SITXDEJWUNMLQS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C#C[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1F ZINC000796086858 1291949991 /nfs/dbraw/zinc/94/99/91/1291949991.db2.gz WRNDFFPZSXTZFL-ZDUSSCGKSA-N -1 0 342.779 2.737 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001258660046 1292017866 /nfs/dbraw/zinc/01/78/66/1292017866.db2.gz YXGABGWLWPXRGY-UHFFFAOYSA-N -1 0 325.777 2.926 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190181512 1292049353 /nfs/dbraw/zinc/04/93/53/1292049353.db2.gz MJYUCCCSWAAUBR-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190297293 1292112739 /nfs/dbraw/zinc/11/27/39/1292112739.db2.gz FOZOZDGZIDOWND-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190353805 1292131271 /nfs/dbraw/zinc/13/12/71/1292131271.db2.gz SBXWYWWPEBTDII-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190387887 1292142076 /nfs/dbraw/zinc/14/20/76/1292142076.db2.gz NZKATTJGVRKFNH-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190388932 1292143778 /nfs/dbraw/zinc/14/37/78/1292143778.db2.gz CXAZGKCUKSKABO-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1C#N ZINC001190392394 1292146511 /nfs/dbraw/zinc/14/65/11/1292146511.db2.gz SKEDITLAFZUVQM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190619250 1292228252 /nfs/dbraw/zinc/22/82/52/1292228252.db2.gz CNLKPEABVLXKJL-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617077 1292228600 /nfs/dbraw/zinc/22/86/00/1292228600.db2.gz CZUDQGHWSFEWPA-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190617875 1292228685 /nfs/dbraw/zinc/22/86/85/1292228685.db2.gz UOIPGFXMYVBSCG-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617505 1292229055 /nfs/dbraw/zinc/22/90/55/1292229055.db2.gz LHHTZEKPBICMKX-UHFFFAOYSA-N -1 0 336.392 2.529 20 30 EFEDRM Cn1ccc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc21 ZINC001190648100 1292263366 /nfs/dbraw/zinc/26/33/66/1292263366.db2.gz SZRSANAGUSUYNU-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC001190647810 1292263601 /nfs/dbraw/zinc/26/36/01/1292263601.db2.gz BIUOSYKGFMMAEM-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)c1 ZINC001190648369 1292265049 /nfs/dbraw/zinc/26/50/49/1292265049.db2.gz MUQQKCSZUDFVPR-UHFFFAOYSA-N -1 0 330.340 2.627 20 30 EFEDRM CCn1ncc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc21 ZINC001190656274 1292268798 /nfs/dbraw/zinc/26/87/98/1292268798.db2.gz YQLIEWAOMCOKFE-UHFFFAOYSA-N -1 0 344.371 2.868 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001190655354 1292269469 /nfs/dbraw/zinc/26/94/69/1292269469.db2.gz DTPODZZBNDMKNX-MRXNPFEDSA-N -1 0 346.383 2.868 20 30 EFEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ncc[nH]3)cc2)cc1 ZINC001190731790 1292294456 /nfs/dbraw/zinc/29/44/56/1292294456.db2.gz UFADDRIRBVYOCO-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nc(SC)sc2C(=O)OC)CC1 ZINC001190765809 1292304386 /nfs/dbraw/zinc/30/43/86/1292304386.db2.gz HKLODQHROBISON-UHFFFAOYSA-N -1 0 348.471 2.502 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2sc(C)c(CC)c2C(N)=O)CC1 ZINC001190766117 1292305611 /nfs/dbraw/zinc/30/56/11/1292305611.db2.gz MMMRAXXRXIQZCC-UHFFFAOYSA-N -1 0 328.459 2.568 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1O ZINC001190932504 1292373839 /nfs/dbraw/zinc/37/38/39/1292373839.db2.gz XRMXTRWZODUQCQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc3ccccc3n2)c1 ZINC001190932414 1292373948 /nfs/dbraw/zinc/37/39/48/1292373948.db2.gz IMFYBYWOZCTGTF-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190932740 1292375524 /nfs/dbraw/zinc/37/55/24/1292375524.db2.gz ZEGNHIFRGKKNFK-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C#N)c1 ZINC001190939241 1292377981 /nfs/dbraw/zinc/37/79/81/1292377981.db2.gz WGWSLDJGJUSGMQ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cn1ccc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cnc21 ZINC001190937546 1292378165 /nfs/dbraw/zinc/37/81/65/1292378165.db2.gz PENMBNCXWKVOQP-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(F)c(F)cc2F)c1 ZINC001190937820 1292378869 /nfs/dbraw/zinc/37/88/69/1292378869.db2.gz XOFQWZPELHAIFH-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC001190939309 1292379744 /nfs/dbraw/zinc/37/97/44/1292379744.db2.gz ZUZISKCIMXNHJP-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C3)c1 ZINC001190969772 1292403583 /nfs/dbraw/zinc/40/35/83/1292403583.db2.gz MBVKNDLHKMLOGW-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3nccnc23)c1 ZINC001190969904 1292403909 /nfs/dbraw/zinc/40/39/09/1292403909.db2.gz RNRBPWUOHDDXCW-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)[C@H](F)CC1CCCCC1)cc2=O ZINC000796208686 1292405380 /nfs/dbraw/zinc/40/53/80/1292405380.db2.gz KGWJSQDGGOYGTM-CQSZACIVSA-N -1 0 346.362 2.658 20 30 EFEDRM COc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190972851 1292406663 /nfs/dbraw/zinc/40/66/63/1292406663.db2.gz MDGOFKMHAFHKQR-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(O)c1 ZINC001190972606 1292407293 /nfs/dbraw/zinc/40/72/93/1292407293.db2.gz FWMVWUFQSZFDFF-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM C#Cc1ccccc1C(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001191116112 1292471636 /nfs/dbraw/zinc/47/16/36/1292471636.db2.gz BWDNPTXENFQXPR-UHFFFAOYSA-N -1 0 329.377 2.784 20 30 EFEDRM N#Cc1ccc(O)c(Nc2ccc(C(=O)N3CCC(=O)CC3)cc2)c1 ZINC001191147026 1292478568 /nfs/dbraw/zinc/47/85/68/1292478568.db2.gz OYXGRCDFONWGFS-UHFFFAOYSA-N -1 0 335.363 2.813 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)c1 ZINC001191153277 1292480648 /nfs/dbraw/zinc/48/06/48/1292480648.db2.gz IYNQTUKVGXIQLP-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)cnc2C#N)c1 ZINC001191157808 1292483411 /nfs/dbraw/zinc/48/34/11/1292483411.db2.gz LCPRSKAJMZQIBI-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM COC(=O)C1(C#N)CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455636 1312935724 /nfs/dbraw/zinc/93/57/24/1312935724.db2.gz SHAMXWJFFQOLQF-UHFFFAOYSA-N -1 0 342.317 2.690 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1 ZINC001191663457 1292608459 /nfs/dbraw/zinc/60/84/59/1292608459.db2.gz LZMQTJUGTYONBM-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191729207 1292625394 /nfs/dbraw/zinc/62/53/94/1292625394.db2.gz YEYLKOBLJXACCM-UHFFFAOYSA-N -1 0 342.207 2.874 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)c1Cl ZINC001191731235 1292644552 /nfs/dbraw/zinc/64/45/52/1292644552.db2.gz OGASYYZTCNVLRF-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191872392 1292703955 /nfs/dbraw/zinc/70/39/55/1292703955.db2.gz HJQNVVVCJIFMFR-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(F)c1F ZINC001192034596 1292755487 /nfs/dbraw/zinc/75/54/87/1292755487.db2.gz JBVFLESGUPDWOG-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM Cc1cc(C#N)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192100105 1292773774 /nfs/dbraw/zinc/77/37/74/1292773774.db2.gz KOFVPUWJXNNODJ-UHFFFAOYSA-N -1 0 344.392 2.685 20 30 EFEDRM N#Cc1ccc(F)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192139093 1292807384 /nfs/dbraw/zinc/80/73/84/1292807384.db2.gz CYDSFBXNNIYILN-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C#N ZINC001192139574 1292807758 /nfs/dbraw/zinc/80/77/58/1292807758.db2.gz ZJWNCDVFYGGJQZ-UHFFFAOYSA-N -1 0 344.392 2.685 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)cnc1Cl ZINC001192579480 1292930070 /nfs/dbraw/zinc/93/00/70/1292930070.db2.gz GVVOVRBVDOIJQM-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)cnc1Cl ZINC001192572532 1292952840 /nfs/dbraw/zinc/95/28/40/1292952840.db2.gz ZGXZICBZKGFKMP-UHFFFAOYSA-N -1 0 341.751 2.561 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192670302 1292976563 /nfs/dbraw/zinc/97/65/63/1292976563.db2.gz GZMBUCJROHGDHC-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2c([O-])ccc(F)c2F)cc1C#N ZINC001192764058 1293027648 /nfs/dbraw/zinc/02/76/48/1293027648.db2.gz DOPOPVXWFXAMQZ-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cnc2C#N)c1 ZINC001192766257 1293029277 /nfs/dbraw/zinc/02/92/77/1293029277.db2.gz XVKXKXHVCQAPEZ-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC001192816523 1293060400 /nfs/dbraw/zinc/06/04/00/1293060400.db2.gz PVTYVVJXOSZCGC-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)cc(OC)c2)c1 ZINC001192817281 1293061632 /nfs/dbraw/zinc/06/16/32/1293061632.db2.gz DSXAQAKYJGFRNR-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(OC)c2)c1 ZINC001192821311 1293064064 /nfs/dbraw/zinc/06/40/64/1293064064.db2.gz MLVQSXKAACYXKA-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnccc2Cl)cc(F)c1F ZINC001192896819 1293092589 /nfs/dbraw/zinc/09/25/89/1293092589.db2.gz CQFAILBUXQHYBN-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1c(Br)cccc1C(F)(F)F ZINC001192982462 1293116062 /nfs/dbraw/zinc/11/60/62/1293116062.db2.gz QFHPWGNBSYMBCZ-UHFFFAOYSA-N -1 0 343.124 2.733 20 30 EFEDRM N#CCS(=O)(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001192995217 1293120883 /nfs/dbraw/zinc/12/08/83/1293120883.db2.gz VROQGWOFIFKZSY-VIFPVBQESA-N -1 0 346.252 2.752 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2F)nc1 ZINC001193104461 1293170887 /nfs/dbraw/zinc/17/08/87/1293170887.db2.gz IVEUYZSGNRJHHA-SECBINFHSA-N -1 0 339.323 2.806 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnc2cc(C(F)(F)F)ccc12 ZINC001193106091 1293171586 /nfs/dbraw/zinc/17/15/86/1293171586.db2.gz LDHVBDISRZBMTR-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001193106489 1293171730 /nfs/dbraw/zinc/17/17/30/1293171730.db2.gz QKSSOZBHOPPBDJ-QMMMGPOBSA-N -1 0 343.311 2.597 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001193107572 1293172770 /nfs/dbraw/zinc/17/27/70/1293172770.db2.gz XPERMUAOWZHUGI-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2nc(Br)sc2c1 ZINC001193148652 1293186235 /nfs/dbraw/zinc/18/62/35/1293186235.db2.gz BUJXERABTXUBGW-LURJTMIESA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC001193146404 1293186338 /nfs/dbraw/zinc/18/63/38/1293186338.db2.gz MNAOZBHNPKCVOB-LBPRGKRZSA-N -1 0 329.381 2.593 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc3ncccc3o2)cc1 ZINC001193149351 1293187488 /nfs/dbraw/zinc/18/74/88/1293187488.db2.gz NJXZMNKGCXLAQX-SNVBAGLBSA-N -1 0 328.353 2.544 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)c2ncccc12 ZINC001193158338 1293188257 /nfs/dbraw/zinc/18/82/57/1293188257.db2.gz OEFSEQAGNCKJPU-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(NC(=O)OC(C)(C)C)ccc1F ZINC001193157393 1293188700 /nfs/dbraw/zinc/18/87/00/1293188700.db2.gz DDJBRWWQEFUUFP-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM Cc1ccc(NC(=O)OC(C)(C)C)c([N-]S(=O)(=O)[C@@H](C)C#N)c1 ZINC001193161306 1293190119 /nfs/dbraw/zinc/19/01/19/1293190119.db2.gz NZRZIWQITDAIPV-NSHDSACASA-N -1 0 339.417 2.996 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c2cnccc12 ZINC001193158999 1293190257 /nfs/dbraw/zinc/19/02/57/1293190257.db2.gz YEPLHPVABQQDBU-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2sc(Br)nc21 ZINC001193161799 1293190312 /nfs/dbraw/zinc/19/03/12/1293190312.db2.gz SVERLGDESCTQQH-LURJTMIESA-N -1 0 346.231 2.713 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210431 1293198350 /nfs/dbraw/zinc/19/83/50/1293198350.db2.gz ZLAGJKOWFVPTPO-UHFFFAOYSA-N -1 0 340.726 2.818 20 30 EFEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193260394 1293219093 /nfs/dbraw/zinc/21/90/93/1293219093.db2.gz CFEGNRSBYYIMQU-QMMMGPOBSA-N -1 0 335.212 2.786 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129961421 1293300796 /nfs/dbraw/zinc/30/07/96/1293300796.db2.gz KAWYKTZHQDWVLR-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC001193434887 1293309314 /nfs/dbraw/zinc/30/93/14/1293309314.db2.gz NZLWGACCIJUYIW-UHFFFAOYSA-N -1 0 329.377 2.564 20 30 EFEDRM O=C(CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1 ZINC000130101030 1293316033 /nfs/dbraw/zinc/31/60/33/1293316033.db2.gz GBIORKRDJCHNOR-WOJGMQOQSA-N -1 0 328.324 2.853 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cnc(-c3ccc(O)cc3)nc2)ccc1[O-] ZINC001193497811 1293324969 /nfs/dbraw/zinc/32/49/69/1293324969.db2.gz AXEMBFZFPBRQNH-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM N#Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1[O-] ZINC001193494504 1293325566 /nfs/dbraw/zinc/32/55/66/1293325566.db2.gz MWXYWOMFZUHMJU-QPJJXVBHSA-N -1 0 347.418 2.735 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)ccc1[O-] ZINC001193497875 1293326167 /nfs/dbraw/zinc/32/61/67/1293326167.db2.gz FCGQJMQDQKHPKU-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM COc1ncc(NC(=O)c2ccc([O-])c(C#N)c2)cc1C(F)(F)F ZINC001193499822 1293326472 /nfs/dbraw/zinc/32/64/72/1293326472.db2.gz WEMHPVBIDUFBRU-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM COc1cccc(Cn2nccc2NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193499524 1293327054 /nfs/dbraw/zinc/32/70/54/1293327054.db2.gz SCPSLQFKXRTMJR-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccnc(-c3cc(N)ccn3)c2)ccc1[O-] ZINC001193498978 1293327154 /nfs/dbraw/zinc/32/71/54/1293327154.db2.gz OFSBTXRWFOQPRN-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)ccc1[O-] ZINC001193506705 1293335815 /nfs/dbraw/zinc/33/58/15/1293335815.db2.gz OSKCIDPXSKXBJH-HHXXYDBFSA-N -1 0 340.423 2.931 20 30 EFEDRM COC(=O)c1c[nH]c2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc21 ZINC001193504324 1293337165 /nfs/dbraw/zinc/33/71/65/1293337165.db2.gz AYUXOLADWVSNBP-UHFFFAOYSA-N -1 0 335.319 2.784 20 30 EFEDRM COC(=O)C[C@@H](NC(=O)c1ccc([O-])c(C#N)c1)C1CCCCC1 ZINC001193515600 1293341281 /nfs/dbraw/zinc/34/12/81/1293341281.db2.gz PFCGNHBXDVFMHX-OAHLLOKOSA-N -1 0 330.384 2.506 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC001193636356 1293378233 /nfs/dbraw/zinc/37/82/33/1293378233.db2.gz QFLGXWRWNWWKIB-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001193636589 1293379338 /nfs/dbraw/zinc/37/93/38/1293379338.db2.gz VQYNRBKUSTWITF-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1ncc(NC(=O)c2cccc(C#N)c2[O-])cc1C(F)(F)F ZINC001193643047 1293385331 /nfs/dbraw/zinc/38/53/31/1293385331.db2.gz VZHWTVGKWKLHCG-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM CCOC(=O)CN(Cc1ccsc1)C(=O)c1cccc(C#N)c1[O-] ZINC001193646220 1293391817 /nfs/dbraw/zinc/39/18/17/1293391817.db2.gz FFXJDZYQYIOXOT-UHFFFAOYSA-N -1 0 344.392 2.531 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)c1[O-] ZINC001193646357 1293392120 /nfs/dbraw/zinc/39/21/20/1293392120.db2.gz HSNZWUSQBCAQQJ-UHFFFAOYSA-N -1 0 346.390 2.708 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)c1cccc(C#N)c1[O-] ZINC001193646331 1293392588 /nfs/dbraw/zinc/39/25/88/1293392588.db2.gz GZXZJOIWVUVUHN-ZDUSSCGKSA-N -1 0 330.384 2.600 20 30 EFEDRM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193647177 1293392852 /nfs/dbraw/zinc/39/28/52/1293392852.db2.gz XBJAKBKHWIYPJW-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM CC1(C)NC(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3[O-])cc21 ZINC001193653044 1293397167 /nfs/dbraw/zinc/39/71/67/1293397167.db2.gz SUSRPUOAJPLBAI-UHFFFAOYSA-N -1 0 336.351 2.886 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC001193653573 1293397639 /nfs/dbraw/zinc/39/76/39/1293397639.db2.gz JCYQOUZWOQVDHU-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc3occc3c2)c1 ZINC001193653922 1293397876 /nfs/dbraw/zinc/39/78/76/1293397876.db2.gz OBDNRKWVDJBCSY-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3cnoc3c2)c1 ZINC001193681246 1293407948 /nfs/dbraw/zinc/40/79/48/1293407948.db2.gz ULJXLYIQXOICSW-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001193681449 1293408026 /nfs/dbraw/zinc/40/80/26/1293408026.db2.gz ZJPUWRODSRREEU-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)c1 ZINC001193681412 1293408221 /nfs/dbraw/zinc/40/82/21/1293408221.db2.gz XPEJCTVXQRQIHX-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)c2ccccc12 ZINC001193833381 1293456686 /nfs/dbraw/zinc/45/66/86/1293456686.db2.gz BXQZKDUYZAOZGY-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccccc1N)CCCC2 ZINC001193885949 1293463320 /nfs/dbraw/zinc/46/33/20/1293463320.db2.gz HVNVSDZUBWPFHC-UHFFFAOYSA-N -1 0 333.438 2.882 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)c(F)c1 ZINC001194091220 1293529039 /nfs/dbraw/zinc/52/90/39/1293529039.db2.gz DEULKWIOUUZUIE-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194094486 1293530216 /nfs/dbraw/zinc/53/02/16/1293530216.db2.gz CHBQOFBYLNYXPC-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)c(C#N)c1 ZINC001194103979 1293533524 /nfs/dbraw/zinc/53/35/24/1293533524.db2.gz CEJVGLGVDBWYNI-UHFFFAOYSA-N -1 0 338.348 2.513 20 30 EFEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(-c2ccccc2)c[nH]c1=O ZINC001194220158 1293559721 /nfs/dbraw/zinc/55/97/21/1293559721.db2.gz XFOLBEIZBXSALN-UHFFFAOYSA-N -1 0 348.362 2.893 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194225887 1293560640 /nfs/dbraw/zinc/56/06/40/1293560640.db2.gz NXZVIDMXVQKJSQ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COC(=O)c1cc(C(=O)Nc2cccc(C#C[Si](C)(C)C)c2)n[n-]1 ZINC001194288490 1293590042 /nfs/dbraw/zinc/59/00/42/1293590042.db2.gz FRWKWIDJTFAMLR-UHFFFAOYSA-N -1 0 341.443 2.678 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cn1 ZINC001194411612 1293623129 /nfs/dbraw/zinc/62/31/29/1293623129.db2.gz WRSRVOVMPJTSDY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1C#N ZINC001194447604 1293644550 /nfs/dbraw/zinc/64/45/50/1293644550.db2.gz SPTYXIFTWOCYIO-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194561422 1293669390 /nfs/dbraw/zinc/66/93/90/1293669390.db2.gz BPCXNXQJQQHOLZ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#CC1(NS(=O)(=O)c2ncccc2C(F)(F)F)CCCCCC1 ZINC001194578747 1293672545 /nfs/dbraw/zinc/67/25/45/1293672545.db2.gz SADNPOISLIIEIR-UHFFFAOYSA-N -1 0 347.362 2.995 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3F)cn2)c(O)c1 ZINC001194628214 1293679894 /nfs/dbraw/zinc/67/98/94/1293679894.db2.gz DXGVHJXCUUZUTR-UHFFFAOYSA-N -1 0 336.326 2.900 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001194717809 1293704481 /nfs/dbraw/zinc/70/44/81/1293704481.db2.gz LCHQZZMJFYGAOB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2onc(C)c2C#N)c(C)c1C ZINC001194835995 1293726272 /nfs/dbraw/zinc/72/62/72/1293726272.db2.gz REPKLUJVAAQJRV-UHFFFAOYSA-N -1 0 335.385 2.589 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccnc2C#N)c(C)c1C ZINC001194837587 1293726916 /nfs/dbraw/zinc/72/69/16/1293726916.db2.gz ASFVHRYJPFYQDC-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1F ZINC001194981993 1293767537 /nfs/dbraw/zinc/76/75/37/1293767537.db2.gz QZZHWBKZTXHQLR-UHFFFAOYSA-N -1 0 347.371 2.516 20 30 EFEDRM C=CCCOc1ccc(C(=O)Nc2ncc(C(=O)OCC)[n-]2)cc1 ZINC001195114592 1293808411 /nfs/dbraw/zinc/80/84/11/1293808411.db2.gz MBHYMTXNBDFOOE-UHFFFAOYSA-N -1 0 329.356 2.794 20 30 EFEDRM Cc1ncc(C#N)cc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291244 1293881583 /nfs/dbraw/zinc/88/15/83/1293881583.db2.gz SNFYWCLBHBSATI-UHFFFAOYSA-N -1 0 325.221 2.776 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nc1 ZINC000775649987 1293905247 /nfs/dbraw/zinc/90/52/47/1293905247.db2.gz VUXKZUHOPRVZIE-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1cccc(Br)c1C#N ZINC001195483941 1293938708 /nfs/dbraw/zinc/93/87/08/1293938708.db2.gz HQJGOZDFBZXVEN-UHFFFAOYSA-N -1 0 328.191 2.764 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000102115023 1293999422 /nfs/dbraw/zinc/99/94/22/1293999422.db2.gz WGGXPKHWWIIPQX-ZDUSSCGKSA-N -1 0 334.441 2.970 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccnc(-c3cc(N)ccn3)c2)c([O-])c1 ZINC001195733722 1294004619 /nfs/dbraw/zinc/00/46/19/1294004619.db2.gz VNUTYCUWXNWURR-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM CN(C(=O)c1ccc(C#N)cc1[O-])c1ncc(C(F)(F)F)cc1N ZINC001195733549 1294004764 /nfs/dbraw/zinc/00/47/64/1294004764.db2.gz PXMISQJOEUNDOB-UHFFFAOYSA-N -1 0 336.273 2.536 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)cn1 ZINC001195722580 1294012121 /nfs/dbraw/zinc/01/21/21/1294012121.db2.gz AIWQUHPODIEOLN-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195762703 1294016621 /nfs/dbraw/zinc/01/66/21/1294016621.db2.gz BXHDXCZVZDNGTI-UHFFFAOYSA-N -1 0 346.484 2.817 20 30 EFEDRM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(C#N)cc3[O-])cc2)n1 ZINC001195764614 1294017837 /nfs/dbraw/zinc/01/78/37/1294017837.db2.gz NDKSWKDEGIFRND-UHFFFAOYSA-N -1 0 346.390 2.996 20 30 EFEDRM CCCC[C@@](CC)(NC(=O)c1ccc(C#N)cc1[O-])C(=O)OCC ZINC001195764765 1294018373 /nfs/dbraw/zinc/01/83/73/1294018373.db2.gz PCBYPDNCNCVTGT-GOSISDBHSA-N -1 0 332.400 2.896 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2cc(-c3ccccc3F)no2)c([O-])c1 ZINC001195767913 1294019067 /nfs/dbraw/zinc/01/90/67/1294019067.db2.gz BHPNAMUEROEKLU-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM COc1ccccc1-n1cnc(C(=O)Nc2ccc(O)c(C#N)c2)c1 ZINC001195816923 1294031113 /nfs/dbraw/zinc/03/11/13/1294031113.db2.gz LEMYAXCYAPNJQC-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196154135 1294152461 /nfs/dbraw/zinc/15/24/61/1294152461.db2.gz CTGAQVLLQSBBDP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cn1 ZINC001196203177 1294162078 /nfs/dbraw/zinc/16/20/78/1294162078.db2.gz DQMKGDUBWAXQTA-UHFFFAOYSA-N -1 0 336.804 2.732 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1F ZINC001196251133 1294171401 /nfs/dbraw/zinc/17/14/01/1294171401.db2.gz XUMUNVKSXOIOMH-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC1(c2ccc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cc2)COC1 ZINC001196228544 1294170365 /nfs/dbraw/zinc/17/03/65/1294170365.db2.gz WJTAAFVCKKNIIO-UHFFFAOYSA-N -1 0 326.327 2.943 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196250665 1294171350 /nfs/dbraw/zinc/17/13/50/1294171350.db2.gz MVJMKSDQHNYASA-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196251033 1294171566 /nfs/dbraw/zinc/17/15/66/1294171566.db2.gz VBUXLMXSJAKYDU-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(C#N)c1 ZINC001196387096 1294220704 /nfs/dbraw/zinc/22/07/04/1294220704.db2.gz KIQUMOSTAYBVTL-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1cc(N)c(NC(=O)c2cc(Cl)c(F)cc2[O-])cc1C#N ZINC001196465845 1294246511 /nfs/dbraw/zinc/24/65/11/1294246511.db2.gz AORKEJIMBWXUAW-UHFFFAOYSA-N -1 0 330.706 2.763 20 30 EFEDRM N#Cc1cccnc1C(=O)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001196546986 1294284203 /nfs/dbraw/zinc/28/42/03/1294284203.db2.gz LGTGDNUBHCWFNA-UHFFFAOYSA-N -1 0 328.200 2.898 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(O)c1 ZINC001196679634 1294314564 /nfs/dbraw/zinc/31/45/64/1294314564.db2.gz DYOKPUGOWONZDM-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1noc2cccnc12 ZINC001196639546 1294314761 /nfs/dbraw/zinc/31/47/61/1294314761.db2.gz GHBDGELZEJHPSU-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ncc1O ZINC001196650625 1294319054 /nfs/dbraw/zinc/31/90/54/1294319054.db2.gz SSQVKYSPBLTTJF-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ccccc1 ZINC001196698575 1294333457 /nfs/dbraw/zinc/33/34/57/1294333457.db2.gz UGHJWLQXIZSZME-MRXNPFEDSA-N -1 0 348.811 2.820 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1CO ZINC001196690101 1294346708 /nfs/dbraw/zinc/34/67/08/1294346708.db2.gz KDFVRCFMSDJWDY-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC001196760946 1294349504 /nfs/dbraw/zinc/34/95/04/1294349504.db2.gz LAEFSBMVEPFFJD-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OC)c2C#N)c1 ZINC001196762982 1294350575 /nfs/dbraw/zinc/35/05/75/1294350575.db2.gz KTCCGSZWCKUOPW-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1ccc(NC(=S)Nc2c(O)cccc2C#N)cc1 ZINC001196764647 1294351995 /nfs/dbraw/zinc/35/19/95/1294351995.db2.gz ZZDCZSOYPGVPDF-UHFFFAOYSA-N -1 0 327.365 2.859 20 30 EFEDRM C=CCN(C(=O)c1ccc(I)cc1O)C1CC1 ZINC000867201914 1294380165 /nfs/dbraw/zinc/38/01/65/1294380165.db2.gz ONNJEFKSGIZMNX-UHFFFAOYSA-N -1 0 343.164 2.787 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196879789 1294390161 /nfs/dbraw/zinc/39/01/61/1294390161.db2.gz IPTDNDGXNCSFGI-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CC(C)(C)c1ccnc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000903691122 1313073928 /nfs/dbraw/zinc/07/39/28/1313073928.db2.gz GXNFTLNRAXCKIQ-UHFFFAOYSA-N -1 0 330.413 2.641 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1sccc1C#N ZINC001196996092 1294432303 /nfs/dbraw/zinc/43/23/03/1294432303.db2.gz QHGRWFCBNHHBDP-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Br ZINC001197272032 1294494336 /nfs/dbraw/zinc/49/43/36/1294494336.db2.gz YOUIJJWXKDKEDV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c1 ZINC001197347262 1294506503 /nfs/dbraw/zinc/50/65/03/1294506503.db2.gz RCWBVUDPCUQNRS-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197505339 1294592385 /nfs/dbraw/zinc/59/23/85/1294592385.db2.gz VWUTWJJVTCSIFG-UHFFFAOYSA-N -1 0 332.168 2.795 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C ZINC000136409128 1294594712 /nfs/dbraw/zinc/59/47/12/1294594712.db2.gz GAFRMUMIEHRLNT-GFCCVEGCSA-N -1 0 337.445 2.617 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197820993 1294751544 /nfs/dbraw/zinc/75/15/44/1294751544.db2.gz CDKNCZUFYJZFDR-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198155440 1294915397 /nfs/dbraw/zinc/91/53/97/1294915397.db2.gz KVRBJMNVVCINSW-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198198019 1294937513 /nfs/dbraw/zinc/93/75/13/1294937513.db2.gz OUKYEHLPVFSMEN-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C#C[Si](C)(C)C)cn1 ZINC001198272845 1294979254 /nfs/dbraw/zinc/97/92/54/1294979254.db2.gz PBUTUBJMPFJJHB-UHFFFAOYSA-N -1 0 345.500 2.815 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2oc(-c3ccccc3)cc2C#N)n1C ZINC001198356539 1295028621 /nfs/dbraw/zinc/02/86/21/1295028621.db2.gz TVNJAEVESXMRND-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1C#N ZINC001198692879 1295180404 /nfs/dbraw/zinc/18/04/04/1295180404.db2.gz IFAHNBTVRDOJAV-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]OCc1ccc(F)cc1Br ZINC000829748475 1295183200 /nfs/dbraw/zinc/18/32/00/1295183200.db2.gz OMCYXQOZSLDAFJ-YPMHNXCESA-N -1 0 344.180 2.727 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC001198702251 1295187759 /nfs/dbraw/zinc/18/77/59/1295187759.db2.gz ODYBWAYCKKTIKQ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511648 1313141854 /nfs/dbraw/zinc/14/18/54/1313141854.db2.gz TUACBEFSZRSSRO-GFCCVEGCSA-N -1 0 341.367 2.872 20 30 EFEDRM CC(C)C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(=O)OC(C)C ZINC001234511639 1313141880 /nfs/dbraw/zinc/14/18/80/1313141880.db2.gz SWRASOFZCDBUMK-CQSZACIVSA-N -1 0 343.383 2.952 20 30 EFEDRM CC/C=C\CCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511635 1313142026 /nfs/dbraw/zinc/14/20/26/1313142026.db2.gz SUKGKLWIJKHXEY-QMAVJUDZSA-N -1 0 341.367 2.874 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887297304 1295342127 /nfs/dbraw/zinc/34/21/27/1295342127.db2.gz YWIZTBREBMQBIM-PEZLKRJXSA-N -1 0 336.391 2.575 20 30 EFEDRM CCC[C@@H](CC(=O)OCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234529078 1313147661 /nfs/dbraw/zinc/14/76/61/1313147661.db2.gz BOATVILIGXIWCT-LBPRGKRZSA-N -1 0 329.356 2.708 20 30 EFEDRM COC(=O)c1ccccc1NC(=S)Nc1cc(C#N)ccc1[O-] ZINC001198979752 1295373684 /nfs/dbraw/zinc/37/36/84/1295373684.db2.gz KDODZIGTXYXPGU-UHFFFAOYSA-N -1 0 327.365 2.859 20 30 EFEDRM CC(C)C[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(=O)OC(C)C ZINC001234530118 1313148146 /nfs/dbraw/zinc/14/81/46/1313148146.db2.gz HPIUTNQFYFRQBL-OAHLLOKOSA-N -1 0 343.383 2.952 20 30 EFEDRM CCOC(=O)[C@H](CC(C)C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234530150 1313148412 /nfs/dbraw/zinc/14/84/12/1313148412.db2.gz ITIBKTWXDKSKCA-AWEZNQCLSA-N -1 0 329.356 2.564 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])nn1CC1CCC1 ZINC001199580189 1295595673 /nfs/dbraw/zinc/59/56/73/1295595673.db2.gz HCQATHDDUASODC-UHFFFAOYSA-N -1 0 328.347 2.960 20 30 EFEDRM COc1ccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)cc1OC ZINC001204642801 1313176526 /nfs/dbraw/zinc/17/65/26/1313176526.db2.gz IAGKTSLJMQCISM-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM COc1ccc(OC)c(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1 ZINC001204645054 1313176805 /nfs/dbraw/zinc/17/68/05/1313176805.db2.gz YMXXBJIEKYSSGT-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2C=N[O-])C[C@H]1C#N ZINC001234819212 1313194344 /nfs/dbraw/zinc/19/43/44/1313194344.db2.gz INVCCODICONCHE-UONOGXRCSA-N -1 0 331.372 2.775 20 30 EFEDRM C=CCC(CC=C)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234892066 1313204023 /nfs/dbraw/zinc/20/40/23/1313204023.db2.gz OFMGPFLOFGJDCK-UHFFFAOYSA-N -1 0 341.367 2.930 20 30 EFEDRM CCOC(=O)N1CCC([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000777401022 1296006286 /nfs/dbraw/zinc/00/62/86/1296006286.db2.gz JJEGXFLEGMPGFG-OTWJJXBCSA-N -1 0 349.387 2.976 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205068441 1313227941 /nfs/dbraw/zinc/22/79/41/1313227941.db2.gz BVUXLPNDRWFZNU-UHFFFAOYSA-N -1 0 334.278 2.888 20 30 EFEDRM N#CCCN(CCC#N)Cc1cc(Br)cc(F)c1[O-] ZINC001235067219 1313234678 /nfs/dbraw/zinc/23/46/78/1313234678.db2.gz SXVUCURDGFZQNM-UHFFFAOYSA-N -1 0 326.169 2.923 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccccc1C(F)(F)F ZINC000776123092 1296497089 /nfs/dbraw/zinc/49/70/89/1296497089.db2.gz XBCFNAIEAYYCCF-SNVBAGLBSA-N -1 0 348.346 2.559 20 30 EFEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776136229 1296582753 /nfs/dbraw/zinc/58/27/53/1296582753.db2.gz LWSKWMUDNLUBDK-CQSZACIVSA-N -1 0 328.478 2.979 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(C)cc1 ZINC000776140797 1296605800 /nfs/dbraw/zinc/60/58/00/1296605800.db2.gz LFSIRTGGQYHXBM-AWEZNQCLSA-N -1 0 336.457 2.875 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)oc2c1c(C)ccc2C ZINC000776139587 1296622904 /nfs/dbraw/zinc/62/29/04/1296622904.db2.gz YEWCNXVPIPIECX-UHFFFAOYSA-N -1 0 348.424 2.967 20 30 EFEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC(C)(C)C1 ZINC000776142675 1296647735 /nfs/dbraw/zinc/64/77/35/1296647735.db2.gz IIUMLQDTLNUZPR-OLZOCXBDSA-N -1 0 328.478 2.835 20 30 EFEDRM Cc1cc2occ(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2cc1C ZINC000776143616 1296652135 /nfs/dbraw/zinc/65/21/35/1296652135.db2.gz RKRHSYLZYQQBDO-UHFFFAOYSA-N -1 0 348.424 2.588 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000776144014 1296652324 /nfs/dbraw/zinc/65/23/24/1296652324.db2.gz LFOQJZLXEGWSCV-UHFFFAOYSA-N -1 0 340.401 2.650 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc(Cl)cc(Cl)c1 ZINC000776146410 1296658489 /nfs/dbraw/zinc/65/84/89/1296658489.db2.gz NJJYLCTYFYXFPJ-UHFFFAOYSA-N -1 0 335.212 2.603 20 30 EFEDRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2c(C)cccc2C#N)cc1 ZINC001201215912 1296664913 /nfs/dbraw/zinc/66/49/13/1296664913.db2.gz BZOGYVRZYBQKKD-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(C)c(C#N)c2)s1 ZINC001201288344 1296682336 /nfs/dbraw/zinc/68/23/36/1296682336.db2.gz YYKZHIWTWCGECJ-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM Cc1nc2sccc2c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n1 ZINC001201292285 1296685042 /nfs/dbraw/zinc/68/50/42/1296685042.db2.gz DHFQFHHGGMXRDX-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C(=O)CCC3)cc1C#N ZINC001201292597 1296685247 /nfs/dbraw/zinc/68/52/47/1296685247.db2.gz FXQFZFDGWOWAMP-UHFFFAOYSA-N -1 0 347.421 2.643 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(N3CCCC3)c2)cc1C#N ZINC001201295409 1296708128 /nfs/dbraw/zinc/70/81/28/1296708128.db2.gz QUMUTGIITZOODU-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2snc3cccnc32)cc1C#N ZINC001201294587 1296708243 /nfs/dbraw/zinc/70/82/43/1296708243.db2.gz APPYQEXCPYINED-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)cc1C#N ZINC001201294745 1296708587 /nfs/dbraw/zinc/70/85/87/1296708587.db2.gz DDZRBAIVYITGKH-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1C#N ZINC001201295534 1296710587 /nfs/dbraw/zinc/71/05/87/1296710587.db2.gz UIVHFZSNPQJNGO-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nsc3ncccc23)cc1C#N ZINC001201295704 1296710622 /nfs/dbraw/zinc/71/06/22/1296710622.db2.gz XUDIIUTWHMMPKX-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1C#N ZINC001201295726 1296710755 /nfs/dbraw/zinc/71/07/55/1296710755.db2.gz YBUBAPAYNPARIQ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3=O)cc1C#N ZINC001201320231 1296725472 /nfs/dbraw/zinc/72/54/72/1296725472.db2.gz SFBVUELQECYYIS-UHFFFAOYSA-N -1 0 326.377 2.796 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(C#N)c(F)c2F)cc1C#N ZINC001201320469 1296725547 /nfs/dbraw/zinc/72/55/47/1296725547.db2.gz ZZGXMZJDAUDXOU-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM COC(=O)c1ccccc1N=NC(C)c1cccc(OCC(=O)[O-])c1 ZINC000776189575 1296830630 /nfs/dbraw/zinc/83/06/30/1296830630.db2.gz MMUQYSQYGJFDAA-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM COc1ccc(Nc2cc(C#N)ccc2OC)c(S(=O)(=O)[O-])c1 ZINC001201588539 1296944740 /nfs/dbraw/zinc/94/47/40/1296944740.db2.gz SRMCJDOHEYBEEY-UHFFFAOYSA-N -1 0 334.353 2.566 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001201756057 1297053574 /nfs/dbraw/zinc/05/35/74/1297053574.db2.gz LXPCDRYPRDBEQU-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM N#Cc1cccnc1N1CCC(OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001205690018 1313338512 /nfs/dbraw/zinc/33/85/12/1313338512.db2.gz LAQZDSAGNDQQAB-UHFFFAOYSA-N -1 0 337.379 2.837 20 30 EFEDRM CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000776261134 1297309369 /nfs/dbraw/zinc/30/93/69/1297309369.db2.gz VVCBQKUKXVISEX-UHFFFAOYSA-N -1 0 349.368 2.540 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000042304414 1297698591 /nfs/dbraw/zinc/69/85/91/1297698591.db2.gz KMAJFZNMWGWOLU-GFCCVEGCSA-N -1 0 330.365 2.671 20 30 EFEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000044011970 1297710651 /nfs/dbraw/zinc/71/06/51/1297710651.db2.gz OLNWCQIVTLYCFV-SVXRXWARSA-N -1 0 325.324 2.975 20 30 EFEDRM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000778999569 1297740786 /nfs/dbraw/zinc/74/07/86/1297740786.db2.gz HMJTUULTMOCPOI-UHFFFAOYSA-N -1 0 342.374 2.591 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000779033116 1297749751 /nfs/dbraw/zinc/74/97/51/1297749751.db2.gz VVSXVGOLDUEFNB-ZDUSSCGKSA-N -1 0 345.399 2.849 20 30 EFEDRM CC(C)c1c(C(=O)[N-]S(C)(=O)=O)cnn1-c1ccc(Cl)cc1 ZINC000048487020 1297759705 /nfs/dbraw/zinc/75/97/05/1297759705.db2.gz ZQOMFGKZLQJMJM-UHFFFAOYSA-N -1 0 341.820 2.913 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(C)s2)cs1 ZINC000049004098 1297770676 /nfs/dbraw/zinc/77/06/76/1297770676.db2.gz GJEZBVXLCRJFFS-UHFFFAOYSA-N -1 0 330.456 2.963 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022785 1297783057 /nfs/dbraw/zinc/78/30/57/1297783057.db2.gz VQRDRWZTFVRKTN-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(C(C)(C)C)c2)c(F)c1 ZINC000075040310 1297808805 /nfs/dbraw/zinc/80/88/05/1297808805.db2.gz WYNYZHIDGFBLDC-UHFFFAOYSA-N -1 0 339.392 2.779 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc(C(=O)[O-])cc1 ZINC001236057568 1313435365 /nfs/dbraw/zinc/43/53/65/1313435365.db2.gz FSONVEJQKTZGKT-CYBMUJFWSA-N -1 0 339.351 2.791 20 30 EFEDRM C=C(CNC(=O)c1ncc(Br)cc1[O-])c1ccccc1 ZINC001413044202 1298168326 /nfs/dbraw/zinc/16/83/26/1298168326.db2.gz JKQAOHNZEOANES-UHFFFAOYSA-N -1 0 333.185 2.993 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000779312777 1298197961 /nfs/dbraw/zinc/19/79/61/1298197961.db2.gz GCPOLDSUVPUGDG-HNNXBMFYSA-N -1 0 334.441 2.710 20 30 EFEDRM Cc1noc(C)c1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000192757183 1298375571 /nfs/dbraw/zinc/37/55/71/1298375571.db2.gz IIYFHKXPASACIX-GQCTYLIASA-N -1 0 342.395 2.725 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)C(=O)CCC2 ZINC000193382325 1298433140 /nfs/dbraw/zinc/43/31/40/1298433140.db2.gz HHSSATURXZRLRZ-GFCCVEGCSA-N -1 0 330.384 2.736 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CC)c1 ZINC000193380348 1298433175 /nfs/dbraw/zinc/43/31/75/1298433175.db2.gz AWONAROBWJOOHT-OAHLLOKOSA-N -1 0 329.400 2.664 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000779845695 1298957961 /nfs/dbraw/zinc/95/79/61/1298957961.db2.gz SZKLZPNUNFUKLZ-SNVBAGLBSA-N -1 0 337.788 2.827 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OC2CCCC2)c1 ZINC000108937434 1299130944 /nfs/dbraw/zinc/13/09/44/1299130944.db2.gz GLNXPYNQOCGKPV-KRWDZBQOSA-N -1 0 326.396 2.953 20 30 EFEDRM CCCc1noc(CCCC(=O)[N-]S(=O)(=O)C2CCCC2)n1 ZINC000086054307 1299255421 /nfs/dbraw/zinc/25/54/21/1299255421.db2.gz UJRJBHOQWHBZNT-UHFFFAOYSA-N -1 0 329.422 2.574 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cnc(-c2ccccc2)nc1 ZINC000086055287 1299256289 /nfs/dbraw/zinc/25/62/89/1299256289.db2.gz YUGSRUJYWHKGMT-UHFFFAOYSA-N -1 0 331.397 2.721 20 30 EFEDRM CCn1cc(Br)cc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055492 1299256372 /nfs/dbraw/zinc/25/63/72/1299256372.db2.gz HTXYRPYFRVEJNA-UHFFFAOYSA-N -1 0 349.250 2.848 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)C(F)(F)F)c(OC(F)(F)F)c1 ZINC001252347431 1299293195 /nfs/dbraw/zinc/29/31/95/1299293195.db2.gz ZBHDLAFVDTXYGW-UHFFFAOYSA-N -1 0 334.197 2.718 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776519145 1299340250 /nfs/dbraw/zinc/34/02/50/1299340250.db2.gz YUDZRTRMRBPBGR-LLVKDONJSA-N -1 0 329.743 2.620 20 30 EFEDRM O=S(=O)([N-]Cc1cc(OC(F)(F)F)ccc1F)C(F)(F)F ZINC001252379023 1299435635 /nfs/dbraw/zinc/43/56/35/1299435635.db2.gz ZXOLUQVYRIBJAL-UHFFFAOYSA-N -1 0 341.204 2.664 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)NC[C@H]1CCCO1 ZINC000254744294 1300340929 /nfs/dbraw/zinc/34/09/29/1300340929.db2.gz PFCXHQPYLLAGKP-SNVBAGLBSA-N -1 0 348.255 2.676 20 30 EFEDRM C[C@@H]1CCN(c2ccc(C#N)cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853990242 1300378345 /nfs/dbraw/zinc/37/83/45/1300378345.db2.gz ZEIRTZOKWSERFE-SKDRFNHKSA-N -1 0 329.297 2.591 20 30 EFEDRM CCOC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776721093 1300472076 /nfs/dbraw/zinc/47/20/76/1300472076.db2.gz CWOAUEUZWAWGBN-SMNSCNSHSA-N -1 0 349.387 2.976 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1 ZINC000112222518 1300558246 /nfs/dbraw/zinc/55/82/46/1300558246.db2.gz QCGONXNPFYLAFE-MRXNPFEDSA-N -1 0 338.411 2.810 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1 ZINC000112222517 1300559042 /nfs/dbraw/zinc/55/90/42/1300559042.db2.gz QCGONXNPFYLAFE-INIZCTEOSA-N -1 0 338.411 2.810 20 30 EFEDRM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000795277121 1300593077 /nfs/dbraw/zinc/59/30/77/1300593077.db2.gz LSJXJMNWIOMIKB-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000088799701 1300630180 /nfs/dbraw/zinc/63/01/80/1300630180.db2.gz INDXHKQNZOBFQE-UHFFFAOYSA-N -1 0 329.299 2.992 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC000088800450 1300631670 /nfs/dbraw/zinc/63/16/70/1300631670.db2.gz QVKCZDLGPAFERF-ZDUSSCGKSA-N -1 0 332.466 2.500 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC000088813360 1300641042 /nfs/dbraw/zinc/64/10/42/1300641042.db2.gz LQVJECLEDPOCCE-AWEZNQCLSA-N -1 0 346.493 2.746 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1 ZINC000112484239 1300655299 /nfs/dbraw/zinc/65/52/99/1300655299.db2.gz JYKNQCGDJOYOST-CYBMUJFWSA-N -1 0 344.392 2.649 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cn1 ZINC000795303800 1300691614 /nfs/dbraw/zinc/69/16/14/1300691614.db2.gz CHVWNRCVSPYUNG-UHFFFAOYSA-N -1 0 338.392 2.874 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)c1 ZINC000089490437 1300818556 /nfs/dbraw/zinc/81/85/56/1300818556.db2.gz WLGCFHOWXJXHGD-UHFFFAOYSA-N -1 0 327.431 2.804 20 30 EFEDRM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000089490329 1300818909 /nfs/dbraw/zinc/81/89/09/1300818909.db2.gz GLEIOQBBRUTDQY-UHFFFAOYSA-N -1 0 335.429 2.969 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)ccc1F ZINC000089490325 1300820023 /nfs/dbraw/zinc/82/00/23/1300820023.db2.gz VKDZBVJKYYDXBA-UHFFFAOYSA-N -1 0 325.365 2.605 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1C#N ZINC000795389922 1300921175 /nfs/dbraw/zinc/92/11/75/1300921175.db2.gz ZUPGEFDUTYDALY-LLVKDONJSA-N -1 0 334.372 2.860 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1CCC1)N1CCc2ccccc2C1 ZINC000089986975 1300963468 /nfs/dbraw/zinc/96/34/68/1300963468.db2.gz NMCIWZRXYWIXRB-CYBMUJFWSA-N -1 0 336.457 2.520 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cnc([C@H]2CCCO2)s1 ZINC000089982057 1300963499 /nfs/dbraw/zinc/96/34/99/1300963499.db2.gz JCRNAHIKGQQLAZ-SNVBAGLBSA-N -1 0 330.431 2.572 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237939825 1313733503 /nfs/dbraw/zinc/73/35/03/1313733503.db2.gz GTZUTQANYORYIE-UHFFFAOYSA-N -1 0 328.771 2.625 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000856030032 1301210283 /nfs/dbraw/zinc/21/02/83/1301210283.db2.gz MXJHOTZRZAKALI-OAHLLOKOSA-N -1 0 334.416 2.746 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000856029568 1301211065 /nfs/dbraw/zinc/21/10/65/1301211065.db2.gz TZGGTMBTPHDMHA-UHFFFAOYSA-N -1 0 346.456 2.989 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000856034772 1301212411 /nfs/dbraw/zinc/21/24/11/1301212411.db2.gz UQKVSZYQRKAPRS-NHYWBVRUSA-N -1 0 340.782 2.622 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCC3=CCCC3)cc2[n-]c1=S ZINC000856095030 1301233512 /nfs/dbraw/zinc/23/35/12/1301233512.db2.gz AXYXHHNWCIGYDE-UHFFFAOYSA-N -1 0 341.436 2.711 20 30 EFEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1cnc3ccccc3n1)OC2=O ZINC000860702457 1301892982 /nfs/dbraw/zinc/89/29/82/1301892982.db2.gz QRWYFZGZZFDIOW-OITMNORJSA-N -1 0 349.390 2.928 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1 ZINC000860720952 1301899584 /nfs/dbraw/zinc/89/95/84/1301899584.db2.gz SPMBQHFRCBYWPB-AWEZNQCLSA-N -1 0 327.833 2.693 20 30 EFEDRM CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1 ZINC000861014277 1301990844 /nfs/dbraw/zinc/99/08/44/1301990844.db2.gz ZSTIUJOKFMOVGR-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861015849 1301990926 /nfs/dbraw/zinc/99/09/26/1301990926.db2.gz OTFRZTQONFNVNP-ZDUSSCGKSA-N -1 0 340.420 2.716 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000119088710 1302466367 /nfs/dbraw/zinc/46/63/67/1302466367.db2.gz VCKOVUBYXPEPOB-UHFFFAOYSA-N -1 0 338.248 2.590 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCC(F)(F)C(F)(F)F)cc1)C(=O)[O-] ZINC000863183121 1302549169 /nfs/dbraw/zinc/54/91/69/1302549169.db2.gz MAGNHLKEZPHSPD-MRVPVSSYSA-N -1 0 340.248 2.660 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(N=NCC(F)(F)C(F)(F)F)C1 ZINC000863183294 1302549684 /nfs/dbraw/zinc/54/96/84/1302549684.db2.gz SWBBBXMGOBOSOL-UHFFFAOYSA-N -1 0 336.260 2.946 20 30 EFEDRM C[C@@H](SCc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119483142 1302632666 /nfs/dbraw/zinc/63/26/66/1302632666.db2.gz UGSQPAKEAVOJRF-OCCSQVGLSA-N -1 0 327.409 2.634 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2Br)C(=O)O1 ZINC000794689689 1302957848 /nfs/dbraw/zinc/95/78/48/1302957848.db2.gz CPLAQDSAUMKFOD-DLGQBQFBSA-N -1 0 341.182 2.739 20 30 EFEDRM C=CCCn1cc(CN[C@H](CC(=O)[O-])c2ccccc2CC)nn1 ZINC000864528425 1302963761 /nfs/dbraw/zinc/96/37/61/1302963761.db2.gz PQJUEEMKNYIOCS-QGZVFWFLSA-N -1 0 328.416 2.722 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000120097598 1302966273 /nfs/dbraw/zinc/96/62/73/1302966273.db2.gz LLASZCIMTSGMOR-SNVBAGLBSA-N -1 0 327.296 2.844 20 30 EFEDRM CC(C)COC(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC000748410061 1313911196 /nfs/dbraw/zinc/91/11/96/1313911196.db2.gz FFRFTVJJVLHNAQ-UHFFFAOYSA-N -1 0 345.399 2.707 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000748410737 1313911913 /nfs/dbraw/zinc/91/19/13/1313911913.db2.gz PSDWKADJZAKPMB-UHFFFAOYSA-N -1 0 336.326 2.770 20 30 EFEDRM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C#N)ccc2[O-])cc1[N+](=O)[O-] ZINC000748410365 1313912519 /nfs/dbraw/zinc/91/25/19/1313912519.db2.gz IQERNGDEEJIGQG-UHFFFAOYSA-N -1 0 342.267 2.641 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000748411502 1313912755 /nfs/dbraw/zinc/91/27/55/1313912755.db2.gz OTQMQSJLSRKHTK-UHFFFAOYSA-N -1 0 339.376 2.950 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(C#N)ccc2[O-])nn1-c1ccc(F)cc1 ZINC000748411591 1313912890 /nfs/dbraw/zinc/91/28/90/1313912890.db2.gz UXPCVLHHQCTJBT-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000794937920 1303706056 /nfs/dbraw/zinc/70/60/56/1303706056.db2.gz NDYWUYTWZRUQLG-BQYQJAHWSA-N -1 0 345.376 2.843 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc(OC)cc1[O-] ZINC000794941267 1303743308 /nfs/dbraw/zinc/74/33/08/1303743308.db2.gz MMLWOZFIPWNQRG-VOTSOKGWSA-N -1 0 333.365 2.930 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1ccc(OC)cc1[O-] ZINC000794941266 1303743323 /nfs/dbraw/zinc/74/33/23/1303743323.db2.gz MMLWOZFIPWNQRG-SREVYHEPSA-N -1 0 333.365 2.930 20 30 EFEDRM N#CCc1ccc(NC(=O)COC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000748480361 1313939811 /nfs/dbraw/zinc/93/98/11/1313939811.db2.gz AUYYFTCANJZOMG-UHFFFAOYSA-N -1 0 346.289 2.532 20 30 EFEDRM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC000748483497 1313941374 /nfs/dbraw/zinc/94/13/74/1313941374.db2.gz TUPDIJXSCRSWOV-SECBINFHSA-N -1 0 346.289 2.726 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1C ZINC000121749839 1303896037 /nfs/dbraw/zinc/89/60/37/1303896037.db2.gz RRDOOLVUFOGXMT-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1cc(C)ccc1C ZINC000121998229 1304098365 /nfs/dbraw/zinc/09/83/65/1304098365.db2.gz NPYRSXQVQCTOQG-HNNXBMFYSA-N -1 0 338.411 2.645 20 30 EFEDRM CC1(C)C[C@]1(C#N)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC000868464163 1304306635 /nfs/dbraw/zinc/30/66/35/1304306635.db2.gz HNIFZLCYFHCCNZ-CYBMUJFWSA-N -1 0 327.153 2.716 20 30 EFEDRM C=CCN(C(=O)c1cc(Br)cc(F)c1[O-])[C@H](C)COC ZINC000869237234 1304674841 /nfs/dbraw/zinc/67/48/41/1304674841.db2.gz DASKQCRNVGKQFZ-SECBINFHSA-N -1 0 346.196 2.957 20 30 EFEDRM C[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2C1 ZINC000122555602 1304741110 /nfs/dbraw/zinc/74/11/10/1304741110.db2.gz QUPDSCHLIGVCKB-JQWIXIFHSA-N -1 0 327.409 2.812 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSCc1ccc(Cl)cc1 ZINC000122569866 1304770110 /nfs/dbraw/zinc/77/01/10/1304770110.db2.gz JYEIJIRLSFABQT-ZDUSSCGKSA-N -1 0 347.827 2.898 20 30 EFEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122580860 1304774857 /nfs/dbraw/zinc/77/48/57/1304774857.db2.gz FSZXBRNPUKBKEV-NSHDSACASA-N -1 0 346.184 2.696 20 30 EFEDRM Cc1cc(OCC(=O)C(C#N)=C([O-])c2nccn2C)ccc1C(C)C ZINC000122589768 1304778486 /nfs/dbraw/zinc/77/84/86/1304778486.db2.gz GKAXSJQCXGNKJD-MRXNPFEDSA-N -1 0 339.395 2.823 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1cccc(COC)c1 ZINC000799655130 1304918687 /nfs/dbraw/zinc/91/86/87/1304918687.db2.gz MRUWCNPEABSTRV-UHFFFAOYSA-N -1 0 337.441 2.547 20 30 EFEDRM CSc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)co1 ZINC000869774201 1304964105 /nfs/dbraw/zinc/96/41/05/1304964105.db2.gz UJYRBONONGSISH-JTQLQIEISA-N -1 0 336.394 2.800 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@H]2CCOC2)nc1C ZINC000870135225 1305161180 /nfs/dbraw/zinc/16/11/80/1305161180.db2.gz UBEZRDKBXWSHGW-STQMWFEESA-N -1 0 349.456 2.584 20 30 EFEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)s1 ZINC000870134890 1305161360 /nfs/dbraw/zinc/16/13/60/1305161360.db2.gz VSHLQBWFLOOXJQ-AWEZNQCLSA-N -1 0 336.457 2.954 20 30 EFEDRM Cc1cccc2c(CCC(=O)C(C#N)=C([O-])c3nccn3C)c[nH]c21 ZINC000123026338 1305224624 /nfs/dbraw/zinc/22/46/24/1305224624.db2.gz ZEFIYKYIZAWYIP-OAHLLOKOSA-N -1 0 334.379 2.734 20 30 EFEDRM CCn1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1C ZINC000870308453 1305254007 /nfs/dbraw/zinc/25/40/07/1305254007.db2.gz LWYWFPFSVOUHAI-CQSZACIVSA-N -1 0 344.802 2.504 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1ccccc1C(C)(C)C ZINC000123077161 1305264642 /nfs/dbraw/zinc/26/46/42/1305264642.db2.gz JYEFTKNYNFBRAB-CYBMUJFWSA-N -1 0 339.395 2.688 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccccc1F ZINC000123102262 1305297403 /nfs/dbraw/zinc/29/74/03/1305297403.db2.gz JSFGZGSGVJFHMD-NSHDSACASA-N -1 0 331.372 2.633 20 30 EFEDRM C[C@H](CSc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123113717 1305301642 /nfs/dbraw/zinc/30/16/42/1305301642.db2.gz KIUDBKTYAFGCIG-RISCZKNCSA-N -1 0 345.399 2.879 20 30 EFEDRM C[C@H]1CCc2c(C([O-])=C(C#N)C(=O)c3nccn3C)csc2C1 ZINC000123273007 1305502995 /nfs/dbraw/zinc/50/29/95/1305502995.db2.gz AMCCIPJCVIZFKM-JQWIXIFHSA-N -1 0 327.409 2.812 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000870728690 1305535444 /nfs/dbraw/zinc/53/54/44/1305535444.db2.gz RHWIRUWWDNMOJI-UHFFFAOYSA-N -1 0 346.246 2.670 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)ccc1Cl ZINC000123305753 1305564923 /nfs/dbraw/zinc/56/49/23/1305564923.db2.gz XZFFDTCGMCVMRU-AAEUAGOBSA-N -1 0 345.786 2.741 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CC2)c(C(F)(F)F)c1 ZINC000115908317 1314106708 /nfs/dbraw/zinc/10/67/08/1314106708.db2.gz BHOJLXZVAVQCEM-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CC2)cc1C(F)(F)F ZINC000115900702 1314104632 /nfs/dbraw/zinc/10/46/32/1314104632.db2.gz FINXYMHWGQGVFE-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1cccc(C(=O)[O-])c1 ZINC001241357901 1314113433 /nfs/dbraw/zinc/11/34/33/1314113433.db2.gz DTYGJEDOPPCJRE-UHFFFAOYSA-N -1 0 332.319 2.847 20 30 EFEDRM COCCON=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000748789715 1314130434 /nfs/dbraw/zinc/13/04/34/1314130434.db2.gz NYYZCMKQHNBRCT-UHFFFAOYSA-N -1 0 333.340 2.862 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c2ccccc2)s1 ZINC000796608411 1306750685 /nfs/dbraw/zinc/75/06/85/1306750685.db2.gz KNLHGAMAOZREPI-AWEZNQCLSA-N -1 0 348.449 2.949 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)s1 ZINC000796608412 1306750918 /nfs/dbraw/zinc/75/09/18/1306750918.db2.gz KNLHGAMAOZREPI-CQSZACIVSA-N -1 0 348.449 2.949 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000796611672 1306785659 /nfs/dbraw/zinc/78/56/59/1306785659.db2.gz NCAVAFGMJPEPAR-UHFFFAOYSA-N -1 0 342.420 2.915 20 30 EFEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000796619598 1306917265 /nfs/dbraw/zinc/91/72/65/1306917265.db2.gz QHDBHRWLEVLWKZ-AWEZNQCLSA-N -1 0 346.383 2.718 20 30 EFEDRM COc1ccc(-c2ccc(CN(C)/C(C)=N/C#N)cn2)cc1C(=O)[O-] ZINC001241855734 1314157494 /nfs/dbraw/zinc/15/74/94/1314157494.db2.gz VKUYOEAKAYNDKX-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1O ZINC001066870700 1307407915 /nfs/dbraw/zinc/40/79/15/1307407915.db2.gz KHQQBPMKTKNROF-UHFFFAOYSA-N -1 0 332.444 2.915 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc(F)cc1[O-] ZINC001242217207 1314193258 /nfs/dbraw/zinc/19/32/58/1314193258.db2.gz LYXCUHQFEGSDFM-LBPRGKRZSA-N -1 0 329.331 2.937 20 30 EFEDRM C#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)cc1 ZINC001242293482 1314196936 /nfs/dbraw/zinc/19/69/36/1314196936.db2.gz GXZBNVULQZCPOR-UHFFFAOYSA-N -1 0 341.417 2.987 20 30 EFEDRM N#Cc1cc(-c2nc3ccsc3c(N3CCOCC3)n2)ccc1[O-] ZINC001242561743 1314216350 /nfs/dbraw/zinc/21/63/50/1314216350.db2.gz BNMLRXMXCFFHCD-UHFFFAOYSA-N -1 0 338.392 2.772 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1C)C(=O)[O-] ZINC000900326119 1307976759 /nfs/dbraw/zinc/97/67/59/1307976759.db2.gz JPINWRMDJOTRET-LBPRGKRZSA-N -1 0 346.305 2.791 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(OCCC)cc1C)C(=O)[O-] ZINC000900330708 1307988394 /nfs/dbraw/zinc/98/83/94/1307988394.db2.gz DMBJVDIGLRDREZ-HNNXBMFYSA-N -1 0 336.388 2.561 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(=O)[O-] ZINC000900337970 1308004371 /nfs/dbraw/zinc/00/43/71/1308004371.db2.gz PSRWATXZGPDDAD-ZDUSSCGKSA-N -1 0 342.779 2.516 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(OCC)ccc1Cl)C(=O)[O-] ZINC000900337969 1308004797 /nfs/dbraw/zinc/00/47/97/1308004797.db2.gz PSRWATXZGPDDAD-CYBMUJFWSA-N -1 0 342.779 2.516 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000900338371 1308007072 /nfs/dbraw/zinc/00/70/72/1308007072.db2.gz XPXRJDQVANGHIQ-CYBMUJFWSA-N -1 0 326.780 2.734 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(OC(C)(C)C)c1)C(=O)[O-] ZINC000900351654 1308036446 /nfs/dbraw/zinc/03/64/46/1308036446.db2.gz RJPBKXLJYWUBBU-CQSZACIVSA-N -1 0 336.388 2.641 20 30 EFEDRM CSc1ncc(-c2cccc([S-])c2)c(COS(C)(=O)=O)n1 ZINC001242864907 1314239736 /nfs/dbraw/zinc/23/97/36/1314239736.db2.gz XGGSHDFCQFCLMM-UHFFFAOYSA-N -1 0 342.467 2.630 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2cccc(C)c2C)cc1C(=O)[O-] ZINC000800804793 1308451174 /nfs/dbraw/zinc/45/11/74/1308451174.db2.gz IVSVYEXEOAQNLK-UHFFFAOYSA-N -1 0 330.413 2.959 20 30 EFEDRM CCOc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC000800806433 1308455252 /nfs/dbraw/zinc/45/52/52/1308455252.db2.gz XWGYNFZRUZDHBL-UHFFFAOYSA-N -1 0 346.412 2.741 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000800818307 1308482249 /nfs/dbraw/zinc/48/22/49/1308482249.db2.gz RJBBVVJOPHVHPY-UHFFFAOYSA-N -1 0 333.275 2.672 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000800818907 1308484907 /nfs/dbraw/zinc/48/49/07/1308484907.db2.gz WBAZUFUYVFFOQT-UHFFFAOYSA-N -1 0 346.314 2.522 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000800834094 1308512618 /nfs/dbraw/zinc/51/26/18/1308512618.db2.gz UAUJQVIJWCVJLN-UHFFFAOYSA-N -1 0 339.376 2.938 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000800835725 1308516194 /nfs/dbraw/zinc/51/61/94/1308516194.db2.gz SIHWGHWFXSGTRG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COC(=O)c1cc(Nc2ccc(OC)c(C(=O)[O-])c2)ccc1C#N ZINC001209903118 1314257484 /nfs/dbraw/zinc/25/74/84/1314257484.db2.gz WTDYGBSCBDZFIN-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)NC(=S)N(c1ccccc1N)C1=CC(=O)CC(C)(C)C1 ZINC001210155325 1314289114 /nfs/dbraw/zinc/28/91/14/1314289114.db2.gz HENHQRMJHKMSEH-UHFFFAOYSA-N -1 0 347.440 2.989 20 30 EFEDRM CCOc1cc(C#N)cc(-c2cn(C)nc2C(C)C)c1OCC(=O)[O-] ZINC000901003184 1309159144 /nfs/dbraw/zinc/15/91/44/1309159144.db2.gz GNULNJOLIHGSHR-UHFFFAOYSA-N -1 0 343.383 2.944 20 30 EFEDRM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001413278048 1309238488 /nfs/dbraw/zinc/23/84/88/1309238488.db2.gz CESSCFPOQDOHHA-WDEREUQCSA-N -1 0 328.384 2.941 20 30 EFEDRM COC(=O)c1cc(Nc2cc(C(=O)[O-])ccc2OC)ccc1C#N ZINC001210260642 1314304284 /nfs/dbraw/zinc/30/42/84/1314304284.db2.gz LWKPYZYTTAXVCM-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM O=C([O-])c1ccc2scc(C=NNC3=N[C@H]4CCCC[C@H]4N3)c2c1 ZINC000901206286 1309832121 /nfs/dbraw/zinc/83/21/21/1309832121.db2.gz KBBABVAMQZZXDN-OKILXGFUSA-N -1 0 342.424 2.793 20 30 EFEDRM CCCCCCCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000901209603 1309843614 /nfs/dbraw/zinc/84/36/14/1309843614.db2.gz IZJMRXALTPRPJU-UHFFFAOYSA-N -1 0 345.447 2.663 20 30 EFEDRM N#Cc1c[nH]c2cc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cnc12 ZINC001244040694 1314346784 /nfs/dbraw/zinc/34/67/84/1314346784.db2.gz UNIYDDGXZUXAJY-UHFFFAOYSA-N -1 0 334.335 2.905 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1C=NNCC(F)(F)C(F)(F)F ZINC000901270374 1310017235 /nfs/dbraw/zinc/01/72/35/1310017235.db2.gz YIMLVFQGILHNIN-UHFFFAOYSA-N -1 0 326.221 2.515 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1c(C(=O)[O-])cnn1C)CO2 ZINC000901465700 1310528755 /nfs/dbraw/zinc/52/87/55/1310528755.db2.gz VLBHSSZAJTVTOP-KPKJPENVSA-N -1 0 326.352 2.900 20 30 EFEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000901561256 1310669076 /nfs/dbraw/zinc/66/90/76/1310669076.db2.gz NVBOYRHWEOXDBM-XEHSLEBBSA-N -1 0 340.379 2.967 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C)/C(=C\c1c(C(=O)[O-])cnn1C)C2=O ZINC000901577730 1310691562 /nfs/dbraw/zinc/69/15/62/1310691562.db2.gz DPIJCYQMVDEFEQ-CEITULEQSA-N -1 0 326.352 2.585 20 30 EFEDRM CCCc1ccccc1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1 ZINC000901654927 1310829535 /nfs/dbraw/zinc/82/95/35/1310829535.db2.gz XYJMYBDERCJDGP-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)cc2F)n1 ZINC000750428136 1311071475 /nfs/dbraw/zinc/07/14/75/1311071475.db2.gz YREGINADLWGCCX-LBPRGKRZSA-N -1 0 332.356 2.932 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000750682435 1311089076 /nfs/dbraw/zinc/08/90/76/1311089076.db2.gz ZAKOWAOJULEFSM-NHYWBVRUSA-N -1 0 334.379 2.905 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1c(C)cc(C)cc1C ZINC001222901889 1311197367 /nfs/dbraw/zinc/19/73/67/1311197367.db2.gz WCDNFWPRONPCHM-HNNXBMFYSA-N -1 0 328.430 2.587 20 30 EFEDRM CC(C)C(=O)N1CC(OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222938416 1311200911 /nfs/dbraw/zinc/20/09/11/1311200911.db2.gz GVUFENJZLQFZIS-UYRXBGFRSA-N -1 0 346.761 2.994 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c(F)c1 ZINC000901979772 1311273690 /nfs/dbraw/zinc/27/36/90/1311273690.db2.gz HYFWLLKSJFACLU-UHFFFAOYSA-N -1 0 338.339 2.559 20 30 EFEDRM Cn1cc(CN2CCC23CN(Cc2ccc([S-])cc2)C3)cc1C#N ZINC001276910926 1311289819 /nfs/dbraw/zinc/28/98/19/1311289819.db2.gz FDLIAHXSWOALLS-UHFFFAOYSA-N -1 0 338.480 2.646 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC000901999777 1311300194 /nfs/dbraw/zinc/30/01/94/1311300194.db2.gz STMRJIPAAMWRAC-UHFFFAOYSA-N -1 0 329.425 2.860 20 30 EFEDRM CC1=C(O/C(=N\[O-])c2ccccc2Br)C(=O)O[C@H]1C ZINC001223884897 1311314973 /nfs/dbraw/zinc/31/49/73/1311314973.db2.gz UBMHXVKLAAURCP-NCCGYGPPSA-N -1 0 326.146 2.821 20 30 EFEDRM CCOC(=O)[C@@H]1CCC[C@@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223891594 1311316233 /nfs/dbraw/zinc/31/62/33/1311316233.db2.gz NZZBTHVZFFTHQY-HEQZILHFSA-N -1 0 337.372 2.588 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC[C@@H]2Cc3ccccc3O2)c1 ZINC001223892741 1311316620 /nfs/dbraw/zinc/31/66/20/1311316620.db2.gz LHDFBDFCAZYGLJ-JGWKNBOWSA-N -1 0 329.352 2.860 20 30 EFEDRM CCOC(=O)[C@H](CC(C)C)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893153 1311316883 /nfs/dbraw/zinc/31/68/83/1311316883.db2.gz REFISKYUECVCRB-ROAZCBAYSA-N -1 0 339.388 2.834 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@H](C)c1ccc(Cl)cc1 ZINC001223961830 1311326144 /nfs/dbraw/zinc/32/61/44/1311326144.db2.gz CKVFYBKWRBFFDL-RISCZKNCSA-N -1 0 334.821 2.877 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])O[C@H](C)c1ccc(Cl)cc1 ZINC001223961828 1311326221 /nfs/dbraw/zinc/32/62/21/1311326221.db2.gz CKVFYBKWRBFFDL-BXUZGUMPSA-N -1 0 334.821 2.877 20 30 EFEDRM COC(=O)n1ncc(C#N)c1Nc1ncc2c(n1)-c1ccccc1CC2 ZINC001158971217 1311427068 /nfs/dbraw/zinc/42/70/68/1311427068.db2.gz FRKMKZBEJNBFJA-UHFFFAOYSA-N -1 0 346.350 2.668 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158971684 1311427226 /nfs/dbraw/zinc/42/72/26/1311427226.db2.gz NKCGQOQZJDINDB-UHFFFAOYSA-N -1 0 338.283 2.569 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCC[C@@H](C)c1ccccc1 ZINC001224995426 1311461085 /nfs/dbraw/zinc/46/10/85/1311461085.db2.gz RSXYYDQOEXUCCF-ZBFHGGJFSA-N -1 0 328.430 2.656 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)OCCCC[P@](=O)([O-])O ZINC001225019479 1311465110 /nfs/dbraw/zinc/46/51/10/1311465110.db2.gz XDPVTZUUJCSCES-CYBMUJFWSA-N -1 0 332.720 2.695 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(Cl)cccc1Cl ZINC001225206998 1311489865 /nfs/dbraw/zinc/48/98/65/1311489865.db2.gz PDUBHQDTMYGJSK-VIFPVBQESA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001225231888 1311492263 /nfs/dbraw/zinc/49/22/63/1311492263.db2.gz OBKYZRUONAZISN-SNVBAGLBSA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(F)(F)F)cc1 ZINC001225258461 1311496571 /nfs/dbraw/zinc/49/65/71/1311496571.db2.gz CRIFPRRQSWFBAO-LBPRGKRZSA-N -1 0 340.319 2.543 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C#N ZINC001225489779 1311531321 /nfs/dbraw/zinc/53/13/21/1311531321.db2.gz BGXDGRRLVJTCNH-CMPLNLGQSA-N -1 0 349.343 2.581 20 30 EFEDRM C#C[C@H](CCCCCCCCCCC)Oc1c([O-])c(=O)c(=O)c1=O ZINC001225832702 1311580210 /nfs/dbraw/zinc/58/02/10/1311580210.db2.gz OQVRFXIAAQOKDB-CQSZACIVSA-N -1 0 334.412 2.650 20 30 EFEDRM Cc1ccc(N2CCC[C@@H](Oc3[n-]c(=O)c(F)cc3C#N)C2)nc1 ZINC001226008908 1311601071 /nfs/dbraw/zinc/60/10/71/1311601071.db2.gz NWBIXEHPGYUZON-CYBMUJFWSA-N -1 0 328.347 2.549 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1[n-]c(=O)c(F)cc1C#N ZINC001226016934 1311601786 /nfs/dbraw/zinc/60/17/86/1311601786.db2.gz WMTYEMNCTJQJMQ-WQAKAFBOSA-N -1 0 349.362 2.575 20 30 EFEDRM CCOC(=O)CC1CC(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226064611 1311608314 /nfs/dbraw/zinc/60/83/14/1311608314.db2.gz NYQYSGHVXRJDFJ-UHFFFAOYSA-N -1 0 344.289 2.788 20 30 EFEDRM CC1(C)OC[C@H](CCOc2[n-]c(=O)cc(C(F)(F)F)c2C#N)O1 ZINC001226065957 1311608462 /nfs/dbraw/zinc/60/84/62/1311608462.db2.gz XGNCMKWPAPTROG-QMMMGPOBSA-N -1 0 332.278 2.598 20 30 EFEDRM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3nncc(=O)[n-]3)[C@@H]12 ZINC001226167540 1311623111 /nfs/dbraw/zinc/62/31/11/1311623111.db2.gz FIHQJHKIGDOXBX-AUSSCWJUSA-N -1 0 325.368 2.983 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(CC)cccc1CC ZINC001226177223 1311624999 /nfs/dbraw/zinc/62/49/99/1311624999.db2.gz LGELEQJHBTUMNG-OAHLLOKOSA-N -1 0 328.430 2.649 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1C#N ZINC001226222551 1311632447 /nfs/dbraw/zinc/63/24/47/1311632447.db2.gz DSOZRTPTRNYXNO-KWCYVHTRSA-N -1 0 345.399 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C[C@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221268 1311632594 /nfs/dbraw/zinc/63/25/94/1311632594.db2.gz KJOIQSUJUHNCGQ-HAQNSBGRSA-N -1 0 333.388 2.744 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)cc(C)c1C#N ZINC001226221976 1311632608 /nfs/dbraw/zinc/63/26/08/1311632608.db2.gz QQTBROJFWNKIEG-CQSZACIVSA-N -1 0 345.399 2.912 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)cc(C)c1C#N ZINC001226221975 1311632679 /nfs/dbraw/zinc/63/26/79/1311632679.db2.gz QQTBROJFWNKIEG-AWEZNQCLSA-N -1 0 345.399 2.912 20 30 EFEDRM CCOC(=O)[C@@H](CCc1ccccc1)Oc1[n-]c(=O)cc(C)c1C#N ZINC001226222038 1311632743 /nfs/dbraw/zinc/63/27/43/1311632743.db2.gz SVLIHLCNSLATAD-MRXNPFEDSA-N -1 0 340.379 2.911 20 30 EFEDRM O/N=C/c1ccnc(O[C@H]2Cc3ccc(Br)cc3C2)n1 ZINC001226254136 1311638098 /nfs/dbraw/zinc/63/80/98/1311638098.db2.gz RZBFAGNAHBWVIF-TVYFDWKESA-N -1 0 334.173 2.593 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(F)c2ccccc12 ZINC001226546470 1311686598 /nfs/dbraw/zinc/68/65/98/1311686598.db2.gz JTJDFAVLRNEMCE-GFCCVEGCSA-N -1 0 340.372 2.817 20 30 EFEDRM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001226651888 1311702513 /nfs/dbraw/zinc/70/25/13/1311702513.db2.gz KHNQKGCEPLLMBJ-GHMZBOCLSA-N -1 0 349.343 2.557 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1n[n-]c(=O)cc1Br ZINC001226846251 1311731606 /nfs/dbraw/zinc/73/16/06/1311731606.db2.gz LQMLMVXTXJYKFB-QMMMGPOBSA-N -1 0 345.193 2.610 20 30 EFEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)nnc2Br)O1 ZINC001227064988 1311757296 /nfs/dbraw/zinc/75/72/96/1311757296.db2.gz WJQDMSULFLSBRJ-OQPBUACISA-N -1 0 344.209 2.621 20 30 EFEDRM CC(C)(C)C#CC(C#CC(C)(C)C)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227429410 1311805514 /nfs/dbraw/zinc/80/55/14/1311805514.db2.gz BYQWEBLURZGIJV-UHFFFAOYSA-N -1 0 342.399 2.611 20 30 EFEDRM C#CC[C@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495781 1311812708 /nfs/dbraw/zinc/81/27/08/1311812708.db2.gz VYGZEENWLVONEU-JTQLQIEISA-N -1 0 340.397 2.988 20 30 EFEDRM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3nc(=O)[n-]c(=O)[nH]3)[C@@H]12 ZINC001227571243 1311823950 /nfs/dbraw/zinc/82/39/50/1311823950.db2.gz RBJGARQELFXAAE-NHONQIRLSA-N -1 0 341.367 2.689 20 30 EFEDRM CSc1nc(O[C@H](C#N)c2cccc(F)c2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629789 1311834206 /nfs/dbraw/zinc/83/42/06/1311834206.db2.gz YVZRQLBBPGPGQS-SECBINFHSA-N -1 0 336.304 2.595 20 30 EFEDRM CC#CC[C@H](CC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227638427 1311835172 /nfs/dbraw/zinc/83/51/72/1311835172.db2.gz VTGWXKAWMMZCBW-NSHDSACASA-N -1 0 338.356 2.909 20 30 EFEDRM C#C[C@H](C)Oc1cc(OC)cc2oc3ccc(O)c(=O)c-3c([O-])c12 ZINC001227658428 1311836555 /nfs/dbraw/zinc/83/65/55/1311836555.db2.gz VTUKXEJCAGTJPB-VIFPVBQESA-N -1 0 326.304 2.767 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1-c1ccccc1 ZINC001227974228 1311882762 /nfs/dbraw/zinc/88/27/62/1311882762.db2.gz BUELMBUNPCXTRS-OAHLLOKOSA-N -1 0 349.408 2.586 20 30 EFEDRM Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)CS)c1C2=O ZINC001227995243 1311886654 /nfs/dbraw/zinc/88/66/54/1311886654.db2.gz VHTOVZYTZIJMGP-SECBINFHSA-N -1 0 344.388 2.879 20 30 EFEDRM C#CC(C#C)Oc1cc(OC)ccc1C(=O)c1ccc(OC)cc1[O-] ZINC001228116605 1311902225 /nfs/dbraw/zinc/90/22/25/1311902225.db2.gz XKFWVWARZOAZHY-UHFFFAOYSA-N -1 0 336.343 2.654 20 30 EFEDRM C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2ncn(C)c21 ZINC001228674566 1311980005 /nfs/dbraw/zinc/98/00/05/1311980005.db2.gz NZYUPXXWHCRTKJ-LLVKDONJSA-N -1 0 326.356 2.774 20 30 EFEDRM C#C[C@@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001228860488 1312010692 /nfs/dbraw/zinc/01/06/92/1312010692.db2.gz UWWJPMUQVSPCEX-SNVBAGLBSA-N -1 0 339.229 2.863 20 30 EFEDRM C[C@@H]1C[C@@H](Oc2[n-]c(=O)ccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001228898131 1312016363 /nfs/dbraw/zinc/01/63/63/1312016363.db2.gz CBFGZDHUKUOFEY-YPMHNXCESA-N -1 0 333.388 2.826 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898073 1312016474 /nfs/dbraw/zinc/01/64/74/1312016474.db2.gz BPAUJBOONPIKDV-ACJLOTCBSA-N -1 0 345.399 2.827 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001228898212 1312016752 /nfs/dbraw/zinc/01/67/52/1312016752.db2.gz CWBAWDDNOFTVCI-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1[n-]c(=O)ccc1C#N)C2 ZINC001228898837 1312016848 /nfs/dbraw/zinc/01/68/48/1312016848.db2.gz MRYIAVPPGXMBAG-WDNDVIMCSA-N -1 0 345.399 2.968 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1[n-]c(=O)ccc1C#N)C2 ZINC001228898836 1312017156 /nfs/dbraw/zinc/01/71/56/1312017156.db2.gz MRYIAVPPGXMBAG-BTTYYORXSA-N -1 0 345.399 2.968 20 30 EFEDRM CCN(CC)C(=O)[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228901380 1312017844 /nfs/dbraw/zinc/01/78/44/1312017844.db2.gz LPDHLMMCHJFEHL-MRXNPFEDSA-N -1 0 325.368 2.647 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]c(=O)ccc3C#N)[C@@H]2C1 ZINC001228905000 1312018166 /nfs/dbraw/zinc/01/81/66/1312018166.db2.gz DZTTYUFLVYFCPD-MJBXVCDLSA-N -1 0 345.399 2.683 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(/C=C/C)ccc1OC ZINC001229248360 1312067708 /nfs/dbraw/zinc/06/77/08/1312067708.db2.gz LZNSMMQUAMDBSX-YVARQFDVSA-N -1 0 342.413 2.566 20 30 EFEDRM C=C1O[C@H](C)C(=O)C1Oc1cccc2c1cccc2S(=O)(=O)[O-] ZINC001229356607 1312083034 /nfs/dbraw/zinc/08/30/34/1312083034.db2.gz VWENXZPRVPOWKC-SECBINFHSA-N -1 0 334.349 2.685 20 30 EFEDRM CC[C@@H]1OC(C)=C(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)C1=O ZINC001229622848 1312121479 /nfs/dbraw/zinc/12/14/79/1312121479.db2.gz HAIYXVYVLRJHCG-STQMWFEESA-N -1 0 347.392 2.569 20 30 EFEDRM C#C[C@@H](C)Oc1c(O)c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229697849 1312124574 /nfs/dbraw/zinc/12/45/74/1312124574.db2.gz DPHGZOIYWVHMPZ-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1nc(C)[nH]c(=O)c1OC ZINC001230026329 1312173686 /nfs/dbraw/zinc/17/36/86/1312173686.db2.gz PVJGPPHWPHJRQK-LBPRGKRZSA-N -1 0 334.759 2.612 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc2sccc21 ZINC001230214860 1312205591 /nfs/dbraw/zinc/20/55/91/1312205591.db2.gz XSOXTFCJPFYSOO-NSHDSACASA-N -1 0 328.411 2.739 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc2sccc21 ZINC001230214859 1312205818 /nfs/dbraw/zinc/20/58/18/1312205818.db2.gz XSOXTFCJPFYSOO-LLVKDONJSA-N -1 0 328.411 2.739 20 30 EFEDRM N#CC1(Nc2nc[n-]c3nc(=S)sc2-3)Cc2ccccc2C1 ZINC001163003198 1312224002 /nfs/dbraw/zinc/22/40/02/1312224002.db2.gz KWNLZADDMVYDSY-UHFFFAOYSA-N -1 0 325.422 2.848 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c3c(n2)CCCC3)c1C#N ZINC000903108086 1312362866 /nfs/dbraw/zinc/36/28/66/1312362866.db2.gz MAKCYHCEHUYWEK-UHFFFAOYSA-N -1 0 342.424 2.645 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2cccc(F)c21 ZINC001231074953 1312423869 /nfs/dbraw/zinc/42/38/69/1312423869.db2.gz UGCJBDHZYGVXIK-UHFFFAOYSA-N -1 0 334.347 2.627 20 30 EFEDRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1c(C#N)c(C)nn1C ZINC000903172857 1312428799 /nfs/dbraw/zinc/42/87/99/1312428799.db2.gz GGGBCIHGGNBNLH-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O[C@@H]2CCCOC2)c1C#N ZINC001231229065 1312458121 /nfs/dbraw/zinc/45/81/21/1312458121.db2.gz YHZZIARSEHJJTQ-SNVBAGLBSA-N -1 0 339.307 2.755 20 30 EFEDRM CO[C@H](C)COc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231228487 1312458246 /nfs/dbraw/zinc/45/82/46/1312458246.db2.gz RFOYLMHEIQSYSB-SECBINFHSA-N -1 0 327.296 2.611 20 30 EFEDRM N#Cc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC001231461625 1312503872 /nfs/dbraw/zinc/50/38/72/1312503872.db2.gz YIVIQVPDGGLRAJ-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#CN=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccncc1 ZINC001164510691 1312529874 /nfs/dbraw/zinc/52/98/74/1312529874.db2.gz QRYHKDYCMCGCMH-UHFFFAOYSA-N -1 0 345.156 2.691 20 30 EFEDRM N#C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000118335047 1314463209 /nfs/dbraw/zinc/46/32/09/1314463209.db2.gz NFUZBZXIDQAPHX-CQSZACIVSA-N -1 0 338.754 2.571 20 30 EFEDRM N#CC1(c2cccc(Nc3ccc(C(=O)NCC(=O)[O-])cc3)c2)CC1 ZINC001213329699 1314538159 /nfs/dbraw/zinc/53/81/59/1314538159.db2.gz YWCDWJHRKBBWST-UHFFFAOYSA-N -1 0 335.363 2.800 20 30 EFEDRM N#Cc1ccc(-n2[n-]c(-c3ccc(C(F)(F)F)nc3)cc2=O)cn1 ZINC001245912230 1314548377 /nfs/dbraw/zinc/54/83/77/1314548377.db2.gz UUYYPLOKTJZFLS-UHFFFAOYSA-N -1 0 331.257 2.925 20 30 EFEDRM N#Cc1cccc(-n2[n-]c(-c3ccc(N4CCOCC4)cc3)cc2=O)c1 ZINC001245944016 1314553324 /nfs/dbraw/zinc/55/33/24/1314553324.db2.gz ZNJHEPRWEUVTTF-UHFFFAOYSA-N -1 0 346.390 2.953 20 30 EFEDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119057113 1314571341 /nfs/dbraw/zinc/57/13/41/1314571341.db2.gz VVBJTUBXPKZYKR-FZMZJTMJSA-N -1 0 329.787 2.844 20 30 EFEDRM N#Cc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(Cl)c1 ZINC001213999909 1314633739 /nfs/dbraw/zinc/63/37/39/1314633739.db2.gz FFBBPILKTPJJES-UHFFFAOYSA-N -1 0 329.743 2.770 20 30 EFEDRM N#Cc1cnccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001214015548 1314636102 /nfs/dbraw/zinc/63/61/02/1314636102.db2.gz XGVLTKKXQVRQNB-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1OC ZINC000119796124 1314706519 /nfs/dbraw/zinc/70/65/19/1314706519.db2.gz HXQMLZWNBAKGCE-OAHLLOKOSA-N -1 0 342.395 2.641 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1ccc(Cl)c([O-])c1F ZINC001214796112 1314738415 /nfs/dbraw/zinc/73/84/15/1314738415.db2.gz GZKOKLNKHXEPSI-UHFFFAOYSA-N -1 0 328.694 2.714 20 30 EFEDRM N#Cc1cnc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cn1 ZINC001214912680 1314757263 /nfs/dbraw/zinc/75/72/63/1314757263.db2.gz GFWSDZKPSGQSOS-UHFFFAOYSA-N -1 0 338.377 2.964 20 30 EFEDRM CSc1ncc([O-])c(-c2nc(-c3ccc(C#N)c(C)c3)no2)n1 ZINC001215053706 1314774752 /nfs/dbraw/zinc/77/47/52/1314774752.db2.gz AEJDYCUUZMAJPE-UHFFFAOYSA-N -1 0 325.353 2.801 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215103806 1314781823 /nfs/dbraw/zinc/78/18/23/1314781823.db2.gz ZOECHLSKZXUBRE-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2c(F)cc(C(=O)[O-])cc2F)nc1C#N ZINC001215614108 1314856979 /nfs/dbraw/zinc/85/69/79/1314856979.db2.gz UGORNLNHJXPHSB-UHFFFAOYSA-N -1 0 335.657 2.593 20 30 EFEDRM CCNC(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])c(OC)c1 ZINC001215621309 1314858530 /nfs/dbraw/zinc/85/85/30/1314858530.db2.gz NKGCFWPCVYUJON-UHFFFAOYSA-N -1 0 329.331 2.905 20 30 EFEDRM Cc1c(Cl)c(Nc2cc(=O)[nH]c3c(C#N)cnn32)ccc1C(=O)[O-] ZINC001215690368 1314868416 /nfs/dbraw/zinc/86/84/16/1314868416.db2.gz HDKFXORSELPNLR-UHFFFAOYSA-N -1 0 343.730 2.710 20 30 EFEDRM COC(=O)c1ccc([O-])c(-c2nc(-c3cc(F)cc(C#N)c3)no2)c1 ZINC001216912914 1315022098 /nfs/dbraw/zinc/02/20/98/1315022098.db2.gz WXUOQTXPLGQZNY-UHFFFAOYSA-N -1 0 339.282 2.907 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3cccc(N4CCOCC4)c3)no2)c([O-])c1 ZINC001217038589 1315032662 /nfs/dbraw/zinc/03/26/62/1315032662.db2.gz CWFXDVXPXODHDS-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM COc1ccc2[n-]cc(-c3nc(-c4ccc(C#N)cn4)no3)c(=O)c2c1 ZINC001217418185 1315070394 /nfs/dbraw/zinc/07/03/94/1315070394.db2.gz RRPCCVFBXJOAQU-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1cc(-c2noc(-c3c[n-]c4cccnc4c3=O)n2)ccc1C#N ZINC001217434454 1315071542 /nfs/dbraw/zinc/07/15/42/1315071542.db2.gz GJQXITLXONEJDX-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1ccnc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)c1 ZINC001217506069 1315079206 /nfs/dbraw/zinc/07/92/06/1315079206.db2.gz HVAFKQONNQDZAT-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1ncccc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217507534 1315079365 /nfs/dbraw/zinc/07/93/65/1315079365.db2.gz SOPOQGRVGCEFFV-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1ccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)nc1 ZINC001217502213 1315079446 /nfs/dbraw/zinc/07/94/46/1315079446.db2.gz GOQITFOMLXNBPW-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM N#Cc1cccc2c(=O)cc(-c3nc(-c4cc(F)ccn4)no3)[n-]c12 ZINC001217506621 1315079584 /nfs/dbraw/zinc/07/95/84/1315079584.db2.gz MMCCZVISWYNQPI-UHFFFAOYSA-N -1 0 333.282 2.651 20 30 EFEDRM COC(=O)NC(=S)N(c1ccc(C#N)cc1)c1ccccc1N ZINC001249713204 1315126153 /nfs/dbraw/zinc/12/61/53/1315126153.db2.gz QMQQRHXYSYBVCC-UHFFFAOYSA-N -1 0 326.381 2.919 20 30 EFEDRM N#Cc1ccc(C(=O)Cc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC001250208986 1315184495 /nfs/dbraw/zinc/18/44/95/1315184495.db2.gz GPTCDRNJPLWSHA-UHFFFAOYSA-N -1 0 336.347 2.787 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc([O-])c(Cl)c(F)c2F)CC1 ZINC001250414076 1315209341 /nfs/dbraw/zinc/20/93/41/1315209341.db2.gz BNRJUBCUMCUFGJ-UHFFFAOYSA-N -1 0 346.761 2.764 20 30 EFEDRM CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)N(C)C)c2c1C ZINC001251061721 1315316615 /nfs/dbraw/zinc/31/66/15/1315316615.db2.gz CTJIFHFWAFAMPH-UHFFFAOYSA-N -1 0 338.458 2.566 20 30 EFEDRM N#Cc1ccc([O-])c(-c2nc3cc(F)c(N4CCOCC4)cc3[nH]2)c1 ZINC001251180310 1315328647 /nfs/dbraw/zinc/32/86/47/1315328647.db2.gz NWVHNXMZOONHND-UHFFFAOYSA-N -1 0 338.342 2.783 20 30 EFEDRM C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251415672 1315347189 /nfs/dbraw/zinc/34/71/89/1315347189.db2.gz HRCXOYZSNINCEZ-LBPRGKRZSA-N -1 0 335.212 2.623 20 30 EFEDRM O=S(=O)([N-]c1cc(F)ccc1OC(F)(F)F)C(F)(F)F ZINC001252355376 1315438247 /nfs/dbraw/zinc/43/82/47/1315438247.db2.gz QNCXMYNJKLHORF-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM O=S(=O)([N-]Cc1ccc(OC(F)(F)F)c(F)c1)C(F)(F)F ZINC001252378457 1315441482 /nfs/dbraw/zinc/44/14/82/1315441482.db2.gz JPDIJKIDUNMJLV-UHFFFAOYSA-N -1 0 341.204 2.664 20 30 EFEDRM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC001252378690 1315442272 /nfs/dbraw/zinc/44/22/72/1315442272.db2.gz OXCHJZMOKBWSOM-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000316507931 1315466346 /nfs/dbraw/zinc/46/63/46/1315466346.db2.gz SPOVTFTVNUIAGX-VIFPVBQESA-N -1 0 338.212 2.691 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCCc1cn[nH]n1 ZINC000195265644 1315467223 /nfs/dbraw/zinc/46/72/23/1315467223.db2.gz VIMAJLSESZRSIJ-HNNXBMFYSA-N -1 0 349.394 2.899 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC001252867029 1315518874 /nfs/dbraw/zinc/51/88/74/1315518874.db2.gz SDICJPGKLFPMGO-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM CCCCS(=O)(=O)[N-]c1ccc(Br)c(OC)c1C#N ZINC001253870546 1315648995 /nfs/dbraw/zinc/64/89/95/1315648995.db2.gz ADGHPISZHXVVFD-UHFFFAOYSA-N -1 0 347.234 2.871 20 30 EFEDRM CC(C)(CC(=O)[O-])n1cc(C(C)(C)Oc2ccc(C#N)cc2)nn1 ZINC001254093690 1315672345 /nfs/dbraw/zinc/67/23/45/1315672345.db2.gz FDGAJTXSZPIOMG-UHFFFAOYSA-N -1 0 328.372 2.674 20 30 EFEDRM C#Cc1cc(C#C)cc(-c2cn(Cc3ccc(C(=O)[O-])cc3)nn2)c1 ZINC001254099031 1315672579 /nfs/dbraw/zinc/67/25/79/1315672579.db2.gz QSVCUVIQKPPRBZ-UHFFFAOYSA-N -1 0 327.343 2.654 20 30 EFEDRM N#CCCCCc1cn(-c2c(F)c(F)c(C(=O)[O-])c(F)c2F)nn1 ZINC001254096378 1315672680 /nfs/dbraw/zinc/67/26/80/1315672680.db2.gz ISTMAIBGCARPIJ-UHFFFAOYSA-N -1 0 342.252 2.758 20 30 EFEDRM C#CCCCCc1cn(-c2c(F)c(F)c(C(=O)[O-])c(F)c2F)nn1 ZINC001254096684 1315672757 /nfs/dbraw/zinc/67/27/57/1315672757.db2.gz QZDLGPMPBOOHDY-UHFFFAOYSA-N -1 0 341.264 2.868 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC001254213507 1315683424 /nfs/dbraw/zinc/68/34/24/1315683424.db2.gz NLYYIDICXIOQJR-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC001254425511 1315703156 /nfs/dbraw/zinc/70/31/56/1315703156.db2.gz SZPBQMCBHCIZGL-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C#N)c1 ZINC001254881066 1315754494 /nfs/dbraw/zinc/75/44/94/1315754494.db2.gz VFBTVURDAYATIE-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1ccccc1F ZINC001255528824 1315835531 /nfs/dbraw/zinc/83/55/31/1315835531.db2.gz MJTVBFMESBSFPI-UHFFFAOYSA-N -1 0 325.205 2.597 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C#N ZINC001255715045 1315861326 /nfs/dbraw/zinc/86/13/26/1315861326.db2.gz JTBUNMYFAREMAB-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc2c(cccc2OC(F)(F)F)[nH]1 ZINC001255838743 1315871756 /nfs/dbraw/zinc/87/17/56/1315871756.db2.gz FLGLMLUKHNJGEY-UHFFFAOYSA-N -1 0 342.273 2.779 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255869880 1315875175 /nfs/dbraw/zinc/87/51/75/1315875175.db2.gz ZUXTVWNLTPOFLX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC001255991841 1315890052 /nfs/dbraw/zinc/89/00/52/1315890052.db2.gz XLILWGBUHHLVJV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256005765 1315891511 /nfs/dbraw/zinc/89/15/11/1315891511.db2.gz IFKMYUQAMLVAFV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(F)c1F ZINC001256073259 1315899462 /nfs/dbraw/zinc/89/94/62/1315899462.db2.gz RJCKPJWAUURTNA-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256581533 1315963837 /nfs/dbraw/zinc/96/38/37/1315963837.db2.gz WEXHNXGXWIDKDN-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256592172 1315966260 /nfs/dbraw/zinc/96/62/60/1315966260.db2.gz BVXNMPVWVQPVBB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NC)cc1OCC ZINC000133264944 1316025544 /nfs/dbraw/zinc/02/55/44/1316025544.db2.gz CQWVDXZXBOEMIK-NSHDSACASA-N -1 0 338.791 2.596 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1Br ZINC001257318700 1316056035 /nfs/dbraw/zinc/05/60/35/1316056035.db2.gz MUJFRBCDGVZXTM-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257443354 1316066128 /nfs/dbraw/zinc/06/61/28/1316066128.db2.gz XZYIIBNHWLKBAZ-UHFFFAOYSA-N -1 0 334.209 2.627 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)cn1 ZINC001257448952 1316066258 /nfs/dbraw/zinc/06/62/58/1316066258.db2.gz UJXDYKGTVLOCIO-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)ccn1 ZINC001257443597 1316066573 /nfs/dbraw/zinc/06/65/73/1316066573.db2.gz YLMPWJIDPUSIJW-UHFFFAOYSA-N -1 0 333.221 2.654 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257811554 1316094608 /nfs/dbraw/zinc/09/46/08/1316094608.db2.gz JCHRGPTZJLYEGT-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC001257920486 1316104192 /nfs/dbraw/zinc/10/41/92/1316104192.db2.gz JBBZWHZDDNYCIZ-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC001257925454 1316104677 /nfs/dbraw/zinc/10/46/77/1316104677.db2.gz BEUKRAHJPPRZIC-UHFFFAOYSA-N -1 0 342.298 2.762 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)cc1 ZINC001258038710 1316114729 /nfs/dbraw/zinc/11/47/29/1316114729.db2.gz AVMUATYGEIZZAO-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COC(=O)c1csc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045319 1316114883 /nfs/dbraw/zinc/11/48/83/1316114883.db2.gz IJBOBPOTFPWZKG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258126311 1316122153 /nfs/dbraw/zinc/12/21/53/1316122153.db2.gz HVQRWWMXWBABSZ-UHFFFAOYSA-N -1 0 342.376 2.702 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258126528 1316122212 /nfs/dbraw/zinc/12/22/12/1316122212.db2.gz POZIVZOEOYIZJW-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC001258196304 1316130821 /nfs/dbraw/zinc/13/08/21/1316130821.db2.gz GKASYNRVXLAGIS-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1snnc1-c1ccccc1 ZINC001258201975 1316131134 /nfs/dbraw/zinc/13/11/34/1316131134.db2.gz SNKOWBBXSNVLGC-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CP(C)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258273237 1316135707 /nfs/dbraw/zinc/13/57/07/1316135707.db2.gz BNNHFDIQTDEOTC-UHFFFAOYSA-N -1 0 334.337 2.607 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2ccnc2)c1 ZINC001258273659 1316135891 /nfs/dbraw/zinc/13/58/91/1316135891.db2.gz MQBSNPAEZBWDRQ-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC001258278881 1316136259 /nfs/dbraw/zinc/13/62/59/1316136259.db2.gz JNKWJASODWSQCS-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1cc(C)c(C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258283235 1316136281 /nfs/dbraw/zinc/13/62/81/1316136281.db2.gz MEKRVPQHWDTFSE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)no1 ZINC001258279095 1316136356 /nfs/dbraw/zinc/13/63/56/1316136356.db2.gz VUXTUUYPISBRCG-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c2ccncc12 ZINC001258283274 1316136369 /nfs/dbraw/zinc/13/63/69/1316136369.db2.gz NRGYMOYPSBPIRB-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC1(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)COC1 ZINC001258289874 1316137260 /nfs/dbraw/zinc/13/72/60/1316137260.db2.gz CBAWUDOWJRIYQQ-UHFFFAOYSA-N -1 0 328.393 2.647 20 30 EFEDRM COC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001258290110 1316137272 /nfs/dbraw/zinc/13/72/72/1316137272.db2.gz HNQRIZAHXSPSCF-DHZHZOJOSA-N -1 0 342.376 2.545 20 30 EFEDRM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258290235 1316137508 /nfs/dbraw/zinc/13/75/08/1316137508.db2.gz LOZBWFWLXVIUGY-MDZDMXLPSA-N -1 0 342.376 2.545 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001258651045 1316170133 /nfs/dbraw/zinc/17/01/33/1316170133.db2.gz WJHLXMASKINGQT-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccn1 ZINC001258830601 1316182885 /nfs/dbraw/zinc/18/28/85/1316182885.db2.gz VXWGUDQRANBBFB-UHFFFAOYSA-N -1 0 327.192 2.592 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc(F)ccc2F)c1C#N ZINC001258942912 1316194853 /nfs/dbraw/zinc/19/48/53/1316194853.db2.gz JISUNTXLWATNMR-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)c(OC)c1 ZINC001258951354 1316196373 /nfs/dbraw/zinc/19/63/73/1316196373.db2.gz BUHNDGKRCDYOHS-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C#N)s1)C(=O)C2 ZINC001258968151 1316198320 /nfs/dbraw/zinc/19/83/20/1316198320.db2.gz ZEEWGVOSSBNFIP-BONVTDFDSA-N -1 0 338.454 2.757 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c1C#N ZINC001258980715 1316198989 /nfs/dbraw/zinc/19/89/89/1316198989.db2.gz OWJJIGAWWITQKH-BDJLRTHQSA-N -1 0 336.413 2.597 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC1(C#N)CCCCC1)C(=O)C2 ZINC001258989306 1316199530 /nfs/dbraw/zinc/19/95/30/1316199530.db2.gz QRCKWNRHIXOWMT-CXAGYDPISA-N -1 0 338.473 2.528 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C#N)c1 ZINC001259039733 1316200753 /nfs/dbraw/zinc/20/07/53/1316200753.db2.gz LZJWGTOAVIZSBY-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259040612 1316201050 /nfs/dbraw/zinc/20/10/50/1316201050.db2.gz VYZNLALSGOXLKT-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC001259042689 1316201429 /nfs/dbraw/zinc/20/14/29/1316201429.db2.gz GJELQMKDVCADCU-CYBMUJFWSA-N -1 0 344.289 2.786 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC001259053486 1316202802 /nfs/dbraw/zinc/20/28/02/1316202802.db2.gz SQBZPTMWJMFCED-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259062829 1316203370 /nfs/dbraw/zinc/20/33/70/1316203370.db2.gz ZCKHPXRHEBDRRO-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259068804 1316203636 /nfs/dbraw/zinc/20/36/36/1316203636.db2.gz QYSRKZJCXXMKHC-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259084817 1316206823 /nfs/dbraw/zinc/20/68/23/1316206823.db2.gz MDSZJPYYABDVEC-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259085409 1316207031 /nfs/dbraw/zinc/20/70/31/1316207031.db2.gz GHNJXSXWSTUYDX-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c(C)c1 ZINC001259096608 1316208545 /nfs/dbraw/zinc/20/85/45/1316208545.db2.gz WVEDGPIKOOJOAY-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM COc1ccc2ncc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2c1 ZINC001259118837 1316211731 /nfs/dbraw/zinc/21/17/31/1316211731.db2.gz ZGIDXBRTOMKZJK-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1 ZINC001259172399 1316214698 /nfs/dbraw/zinc/21/46/98/1316214698.db2.gz FIRWBFDUFFRZIK-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1 ZINC001259177535 1316215088 /nfs/dbraw/zinc/21/50/88/1316215088.db2.gz FEPXLHDCSDXSGS-UHFFFAOYSA-N -1 0 342.376 2.764 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001259204946 1316220040 /nfs/dbraw/zinc/22/00/40/1316220040.db2.gz ADAFQDNYGODCLK-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM O=S(=O)(Cc1ccc(F)cc1)[N-]C(C(F)(F)F)C(F)(F)F ZINC001259256829 1316223092 /nfs/dbraw/zinc/22/30/92/1316223092.db2.gz VTZWINPCJSPJPI-UHFFFAOYSA-N -1 0 339.232 2.738 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccccn2)cccc1C(F)(F)F ZINC001259288249 1316225397 /nfs/dbraw/zinc/22/53/97/1316225397.db2.gz GNVFQRMPTDJELN-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccccn2)c1 ZINC001259288831 1316225524 /nfs/dbraw/zinc/22/55/24/1316225524.db2.gz HCXOJPMMZVMEQA-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1F ZINC001259357617 1316232784 /nfs/dbraw/zinc/23/27/84/1316232784.db2.gz OIMWVEQIHPKOHG-UHFFFAOYSA-N -1 0 332.356 2.742 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259369014 1316233851 /nfs/dbraw/zinc/23/38/51/1316233851.db2.gz JWSLFSQXFDVFPQ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259384362 1316235910 /nfs/dbraw/zinc/23/59/10/1316235910.db2.gz LLWSQMLJWTYGHA-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C#N)c1 ZINC001259395831 1316236863 /nfs/dbraw/zinc/23/68/63/1316236863.db2.gz CYQMDXUVHXWYJK-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259397042 1316237441 /nfs/dbraw/zinc/23/74/41/1316237441.db2.gz MQQPWRDOTOEYAD-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C#N ZINC001259396950 1316237549 /nfs/dbraw/zinc/23/75/49/1316237549.db2.gz IZRRCFFWIVAQRW-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)C)cc1 ZINC001259402035 1316237603 /nfs/dbraw/zinc/23/76/03/1316237603.db2.gz HDPDQHODEFTASN-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)ccc1F ZINC001259412890 1316239204 /nfs/dbraw/zinc/23/92/04/1316239204.db2.gz VVVHZDRBWPIMAX-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)ccc1F ZINC001259412235 1316239473 /nfs/dbraw/zinc/23/94/73/1316239473.db2.gz WGQGTGQDVWPCKD-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc(Cl)n1 ZINC001259413208 1316240056 /nfs/dbraw/zinc/24/00/56/1316240056.db2.gz WXLYWPCLVFVFOI-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3nnsc32)ccc1F ZINC001259419381 1316240216 /nfs/dbraw/zinc/24/02/16/1316240216.db2.gz WRDRHSMRZMLKOP-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Nc2cc([O-])c(Cl)cc2F)ccc1F ZINC001259417749 1316240267 /nfs/dbraw/zinc/24/02/67/1316240267.db2.gz ZFUGMRVNIRQZCB-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418021 1316240495 /nfs/dbraw/zinc/24/04/95/1316240495.db2.gz ZTCKKGPBDPXRSI-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)ccc1F ZINC001259419710 1316240501 /nfs/dbraw/zinc/24/05/01/1316240501.db2.gz OXQPOKXUCAJBMM-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1F ZINC001259418280 1316240594 /nfs/dbraw/zinc/24/05/94/1316240594.db2.gz TZCNKKDTHJWYNW-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c(C#N)c1 ZINC001259424936 1316241607 /nfs/dbraw/zinc/24/16/07/1316241607.db2.gz OKTCETUPDWHIBM-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259439469 1316243584 /nfs/dbraw/zinc/24/35/84/1316243584.db2.gz HMGSGSBYFDEMPI-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)cnc1C#N ZINC001259439540 1316243746 /nfs/dbraw/zinc/24/37/46/1316243746.db2.gz KPAWXQOCPONLSA-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1F ZINC001259474374 1316248238 /nfs/dbraw/zinc/24/82/38/1316248238.db2.gz YKYAFMKHGPRACX-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259490246 1316250055 /nfs/dbraw/zinc/25/00/55/1316250055.db2.gz CPOCZNZPTOJOFV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1cc(C)cc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)c1 ZINC001259516941 1316255244 /nfs/dbraw/zinc/25/52/44/1316255244.db2.gz CCLJPXNLRROPFO-UHFFFAOYSA-N -1 0 326.381 2.551 20 30 EFEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccnc3)n2)s1 ZINC001259603278 1316260622 /nfs/dbraw/zinc/26/06/22/1316260622.db2.gz UVEAOQZHMZBKFD-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2cccnc2)nc1 ZINC001259609193 1316261336 /nfs/dbraw/zinc/26/13/36/1316261336.db2.gz LKNJUEHQLSHGPH-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)CCc2ccccc2)c1C#N ZINC001259732689 1316269246 /nfs/dbraw/zinc/26/92/46/1316269246.db2.gz GNXVJPLCDZCDIW-UHFFFAOYSA-N -1 0 333.413 2.828 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC001259749455 1316272282 /nfs/dbraw/zinc/27/22/82/1316272282.db2.gz ZBRIKIZJZYGLHW-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259760758 1316274184 /nfs/dbraw/zinc/27/41/84/1316274184.db2.gz SIRHFTAVGFJSCH-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259768401 1316275535 /nfs/dbraw/zinc/27/55/35/1316275535.db2.gz XVKKTJQFVZUISR-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259772751 1316276217 /nfs/dbraw/zinc/27/62/17/1316276217.db2.gz PNAAVQLCUAMYFM-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259786826 1316278433 /nfs/dbraw/zinc/27/84/33/1316278433.db2.gz QTXHTYIJQHPKPN-UHFFFAOYSA-N -1 0 343.383 2.862 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259786512 1316278454 /nfs/dbraw/zinc/27/84/54/1316278454.db2.gz YYQCCLWAJWSVNL-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259788085 1316278701 /nfs/dbraw/zinc/27/87/01/1316278701.db2.gz VKZTYUTYNYMWHJ-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(C#N)c1 ZINC001259787559 1316278931 /nfs/dbraw/zinc/27/89/31/1316278931.db2.gz DDBISHYODQESBH-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]S(=O)(=O)C1CCCC1 ZINC001259794485 1316279463 /nfs/dbraw/zinc/27/94/63/1316279463.db2.gz BVEKERMLUFGOBA-UHFFFAOYSA-N -1 0 328.397 2.700 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)C(F)(F)F)C1CCCC1 ZINC001259803492 1316281151 /nfs/dbraw/zinc/28/11/51/1316281151.db2.gz XMJUCRZGAFIPNC-UHFFFAOYSA-N -1 0 331.253 2.681 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2c(C#N)ccc3ccccc32)cn1 ZINC001259837391 1316285219 /nfs/dbraw/zinc/28/52/19/1316285219.db2.gz RDFQWCBGVKEXED-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2c(C#N)cccc2OC)cc1 ZINC001259899309 1316294804 /nfs/dbraw/zinc/29/48/04/1316294804.db2.gz QBZBFFPTROOMNA-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1nc2ccc(Br)cc2s1 ZINC001259922076 1316298198 /nfs/dbraw/zinc/29/81/98/1316298198.db2.gz ITASOVMKBSPORA-UHFFFAOYSA-N -1 0 333.232 2.987 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1c(C(=O)OC)oc2cccc(Cl)c21 ZINC001259923078 1316298620 /nfs/dbraw/zinc/29/86/20/1316298620.db2.gz QWXSAPSXDLTBLM-UHFFFAOYSA-N -1 0 329.761 2.801 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc(Cc2ccccc2)cc1C#N ZINC001259965324 1316302414 /nfs/dbraw/zinc/30/24/14/1316302414.db2.gz CQTSBAQPFUHWSA-UHFFFAOYSA-N -1 0 336.438 2.599 20 30 EFEDRM COCCS(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)sc1C#N ZINC001259965791 1316302548 /nfs/dbraw/zinc/30/25/48/1316302548.db2.gz OREVARBIAZMAIT-UHFFFAOYSA-N -1 0 340.401 2.814 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC001260010962 1316306249 /nfs/dbraw/zinc/30/62/49/1316306249.db2.gz PRSXYGYTEUYVQT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)Cc1ccccc1C ZINC001260022203 1316308043 /nfs/dbraw/zinc/30/80/43/1316308043.db2.gz KWWRJYDDGQJBGC-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC001260028141 1316309384 /nfs/dbraw/zinc/30/93/84/1316309384.db2.gz ZVMVWJQNMWPGNB-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cc1cc2c(ncnc2[N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1 ZINC001260037147 1316309555 /nfs/dbraw/zinc/30/95/55/1316309555.db2.gz BMSDDCYTBMRJSR-UHFFFAOYSA-N -1 0 344.421 2.813 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccco3)no2)cc1 ZINC001260038580 1316310089 /nfs/dbraw/zinc/31/00/89/1316310089.db2.gz NKMSCXZICQJPAB-UHFFFAOYSA-N -1 0 329.337 2.748 20 30 EFEDRM COc1cc(Cl)nc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260039064 1316310291 /nfs/dbraw/zinc/31/02/91/1316310291.db2.gz MIFOIRPDFMNKOA-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043671 1316310729 /nfs/dbraw/zinc/31/07/29/1316310729.db2.gz BNAOREYOZODULY-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001260196635 1316322782 /nfs/dbraw/zinc/32/27/82/1316322782.db2.gz BZKHQELRQHPULS-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260197238 1316322881 /nfs/dbraw/zinc/32/28/81/1316322881.db2.gz CRCVQWNMLKTGAR-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279805 1316327774 /nfs/dbraw/zinc/32/77/74/1316327774.db2.gz RLVGSIYOWQUFIB-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)o1 ZINC001260278708 1316327864 /nfs/dbraw/zinc/32/78/64/1316327864.db2.gz PPGUBTJZHMOBGF-UHFFFAOYSA-N -1 0 333.703 2.587 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001260308512 1316330792 /nfs/dbraw/zinc/33/07/92/1316330792.db2.gz CTMSSKWEUJIFHQ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl ZINC001260348623 1316333039 /nfs/dbraw/zinc/33/30/39/1316333039.db2.gz BUDMWRVXRAWQPI-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1F ZINC001260353963 1316334052 /nfs/dbraw/zinc/33/40/52/1316334052.db2.gz OQFGCKHGENDGID-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1F ZINC001260388196 1316336384 /nfs/dbraw/zinc/33/63/84/1316336384.db2.gz YYZJYUFMMRJMHB-UHFFFAOYSA-N -1 0 333.369 2.613 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001260387822 1316336676 /nfs/dbraw/zinc/33/66/76/1316336676.db2.gz VNOIWLDVLJAQHD-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260400410 1316337464 /nfs/dbraw/zinc/33/74/64/1316337464.db2.gz ZLXCCCNILHMRKZ-UHFFFAOYSA-N -1 0 333.365 2.924 20 30 EFEDRM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260441244 1316338787 /nfs/dbraw/zinc/33/87/87/1316338787.db2.gz XKYPWQREFUKGEZ-UHFFFAOYSA-N -1 0 342.380 2.825 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C#N)c1C ZINC001260447231 1316339238 /nfs/dbraw/zinc/33/92/38/1316339238.db2.gz PDNIZQNIZDSLKJ-UHFFFAOYSA-N -1 0 344.348 2.675 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C#N ZINC001260451121 1316339966 /nfs/dbraw/zinc/33/99/66/1316339966.db2.gz ATLZJCKREWVLLA-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260527493 1316343615 /nfs/dbraw/zinc/34/36/15/1316343615.db2.gz RPTYCBUIMVBRHR-UHFFFAOYSA-N -1 0 341.417 2.987 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)cn1C ZINC001260542848 1316345139 /nfs/dbraw/zinc/34/51/39/1316345139.db2.gz RVXZUDDJUHICNQ-UHFFFAOYSA-N -1 0 332.410 2.616 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260627969 1316350209 /nfs/dbraw/zinc/35/02/09/1316350209.db2.gz XZAOJUJAUWTXGY-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1C ZINC001260637938 1316352327 /nfs/dbraw/zinc/35/23/27/1316352327.db2.gz ADFILYMWZFVTFY-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)ccc2OC)c1 ZINC001260651906 1316354482 /nfs/dbraw/zinc/35/44/82/1316354482.db2.gz SFMZYAWXCWWZQT-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001260651848 1316354537 /nfs/dbraw/zinc/35/45/37/1316354537.db2.gz PTCPJUYIOSKVBE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1 ZINC001260651853 1316354549 /nfs/dbraw/zinc/35/45/49/1316354549.db2.gz PZAGKJFQBKYYGZ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1F ZINC001260662657 1316356473 /nfs/dbraw/zinc/35/64/73/1316356473.db2.gz NEXUROGKBRBNND-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2C#N)cc1F ZINC001260662600 1316356528 /nfs/dbraw/zinc/35/65/28/1316356528.db2.gz YEXBYRAAHHFPPG-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1F ZINC001260663011 1316356632 /nfs/dbraw/zinc/35/66/32/1316356632.db2.gz HGYZCHBSXFBLMF-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)s1 ZINC001260679135 1316357922 /nfs/dbraw/zinc/35/79/22/1316357922.db2.gz XWJJOCXNGXDAJM-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC001260684607 1316358597 /nfs/dbraw/zinc/35/85/97/1316358597.db2.gz KBNOTZOXANNVPW-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC[C@H](C)S(=O)(=O)[N-]c1c(C#N)c(SC)sc1C(=O)OC ZINC001260725992 1316362968 /nfs/dbraw/zinc/36/29/68/1316362968.db2.gz XPNPCFYZOULTJS-ZETCQYMHSA-N -1 0 348.471 2.668 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC001260771287 1316367290 /nfs/dbraw/zinc/36/72/90/1316367290.db2.gz IIKVAJIPGRVMDV-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2cccc(NC(C)=O)c2)ccc1F ZINC001260810785 1316370309 /nfs/dbraw/zinc/37/03/09/1316370309.db2.gz RRMKXYVSOWJDHZ-UHFFFAOYSA-N -1 0 332.356 2.566 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001260817651 1316371067 /nfs/dbraw/zinc/37/10/67/1316371067.db2.gz VNBKEAQANQIKGE-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC001260819327 1316371512 /nfs/dbraw/zinc/37/15/12/1316371512.db2.gz ZRBYUIVGZKEJCP-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260872456 1316374694 /nfs/dbraw/zinc/37/46/94/1316374694.db2.gz OTVSCRPGHMSPAD-QMMMGPOBSA-N -1 0 335.212 2.766 20 30 EFEDRM C#C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260872647 1316374960 /nfs/dbraw/zinc/37/49/60/1316374960.db2.gz SNNGPLMZKJNYNT-VIFPVBQESA-N -1 0 334.224 2.733 20 30 EFEDRM N#CC1(CNS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)CCC1 ZINC001260876952 1316375292 /nfs/dbraw/zinc/37/52/92/1316375292.db2.gz CYHCXFGEXFUXCY-UHFFFAOYSA-N -1 0 335.212 2.671 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC001261014389 1316384734 /nfs/dbraw/zinc/38/47/34/1316384734.db2.gz GIMLZMUUKQHROG-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C#N ZINC001261029316 1316385714 /nfs/dbraw/zinc/38/57/14/1316385714.db2.gz JMDYPMRVABCXEB-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073199 1316387906 /nfs/dbraw/zinc/38/79/06/1316387906.db2.gz RCTMYLAJQHHDFP-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)ccc1C#N ZINC001261073278 1316387917 /nfs/dbraw/zinc/38/79/17/1316387917.db2.gz VIOJDNOBYYXHGI-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC001261292125 1316402591 /nfs/dbraw/zinc/40/25/91/1316402591.db2.gz UZPWUGARVKOLLY-OAHLLOKOSA-N -1 0 329.400 2.922 20 30 EFEDRM O=C([O-])c1cccc(COc2cccc(C=NN[C@@H]3CCOC3)c2)c1 ZINC001261893101 1316436245 /nfs/dbraw/zinc/43/62/45/1316436245.db2.gz HODULOYFXXPJIP-QGZVFWFLSA-N -1 0 340.379 2.676 20 30 EFEDRM CCCN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1Cc1ccccc1 ZINC001263157519 1316519074 /nfs/dbraw/zinc/51/90/74/1316519074.db2.gz AVLHAIJGUPFDTI-UHFFFAOYSA-N -1 0 348.410 2.812 20 30 EFEDRM C=C1CCN(c2nnc(-c3cc(Cl)ncc3O)n2CCOC)CC1 ZINC001263239906 1316523679 /nfs/dbraw/zinc/52/36/79/1316523679.db2.gz YCZYDZVOOFYDSC-UHFFFAOYSA-N -1 0 349.822 2.502 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001263344741 1316535049 /nfs/dbraw/zinc/53/50/49/1316535049.db2.gz PAEWYTQGUHVZMS-KBPBESRZSA-N -1 0 344.463 2.926 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2cccc(F)n2)nn1-c1ccc(F)cc1 ZINC001263378478 1316539591 /nfs/dbraw/zinc/53/95/91/1316539591.db2.gz HUALNLVGLWEGKW-CYBMUJFWSA-N -1 0 339.305 2.739 20 30 EFEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263378463 1316539666 /nfs/dbraw/zinc/53/96/66/1316539666.db2.gz HJGMIPQYMSATNL-CYBMUJFWSA-N -1 0 336.326 2.905 20 30 EFEDRM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263386579 1316540512 /nfs/dbraw/zinc/54/05/12/1316540512.db2.gz XOZUBHGBXLSJEK-QWRGUYRKSA-N -1 0 331.372 2.980 20 30 EFEDRM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001319352841 1328860616 /nfs/dbraw/zinc/86/06/16/1328860616.db2.gz KUEAWTFJXRKPLF-UHFFFAOYSA-N -1 0 344.371 2.579 20 30 EFEDRM CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(CC(=O)[O-])cc1 ZINC001319377326 1328866651 /nfs/dbraw/zinc/86/66/51/1328866651.db2.gz MSKSAXZTYDJUPC-UHFFFAOYSA-N -1 0 346.408 2.553 20 30 EFEDRM COC(=O)c1cccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001319382362 1328867963 /nfs/dbraw/zinc/86/79/63/1328867963.db2.gz ZEPLLEUWBYXKPG-FNORWQNLSA-N -1 0 327.292 2.983 20 30 EFEDRM COc1nc(Cl)c(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001319496672 1328902077 /nfs/dbraw/zinc/90/20/77/1328902077.db2.gz QMFOUOSIOUNMKX-GQCTYLIASA-N -1 0 337.719 2.592 20 30 EFEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2ccc(CC#N)cc2)o1 ZINC001320636825 1329181777 /nfs/dbraw/zinc/18/17/77/1329181777.db2.gz UJXHHQIZWDLUBQ-UHFFFAOYSA-N -1 0 344.352 2.505 20 30 EFEDRM Cn1c(C=NN[C@H]2CCCC2(C)C)c(Br)cc1C(=O)[O-] ZINC001321023885 1329332613 /nfs/dbraw/zinc/33/26/13/1329332613.db2.gz HCTOEHSKKJRFMM-LBPRGKRZSA-N -1 0 342.237 2.988 20 30 EFEDRM COCCON=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001321105458 1329343589 /nfs/dbraw/zinc/34/35/89/1329343589.db2.gz OXKYQWVFTBHSGV-UHFFFAOYSA-N -1 0 329.352 2.961 20 30 EFEDRM C=CC[C@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001321206777 1329356435 /nfs/dbraw/zinc/35/64/35/1329356435.db2.gz RSMNKLVDKCPFMU-VMPCVLLUSA-N -1 0 325.311 2.837 20 30 EFEDRM N#CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC001322536475 1329465933 /nfs/dbraw/zinc/46/59/33/1329465933.db2.gz NYDLLMMZJXWMFV-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)[O-] ZINC001321658762 1329401579 /nfs/dbraw/zinc/40/15/79/1329401579.db2.gz WDAUBPVYKROMNM-GFCCVEGCSA-N -1 0 338.201 2.626 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC001321657745 1329401587 /nfs/dbraw/zinc/40/15/87/1329401587.db2.gz JPGXSOGKPCDAJU-YUMQZZPRSA-N -1 0 332.219 2.760 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC001321657539 1329401657 /nfs/dbraw/zinc/40/16/57/1329401657.db2.gz JAQRDEMJRLWVQW-AWEZNQCLSA-N -1 0 325.368 2.509 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC001321658036 1329401707 /nfs/dbraw/zinc/40/17/07/1329401707.db2.gz MNTYEKOHPJNANP-OAHLLOKOSA-N -1 0 325.368 2.509 20 30 EFEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1 ZINC001322495584 1329462923 /nfs/dbraw/zinc/46/29/23/1329462923.db2.gz PTWGYELCOLBMLR-BJMVGYQFSA-N -1 0 342.347 2.936 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001322515132 1329464356 /nfs/dbraw/zinc/46/43/56/1329464356.db2.gz SWNKPGJIIXBSLB-SJORKVTESA-N -1 0 346.427 2.799 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001322515129 1329464481 /nfs/dbraw/zinc/46/44/81/1329464481.db2.gz SWNKPGJIIXBSLB-IAGOWNOFSA-N -1 0 346.427 2.799 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)[O-] ZINC001322600645 1329471085 /nfs/dbraw/zinc/47/10/85/1329471085.db2.gz NJXJGHMWXONHJS-OAHLLOKOSA-N -1 0 326.352 2.516 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001322598890 1329471136 /nfs/dbraw/zinc/47/11/36/1329471136.db2.gz HWLHUNLQKGCZJE-AWEZNQCLSA-N -1 0 342.399 2.649 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C(=O)[O-] ZINC001322602668 1329471550 /nfs/dbraw/zinc/47/15/50/1329471550.db2.gz UQWKHHLOZFQBDV-LBPRGKRZSA-N -1 0 338.385 2.854 20 30 EFEDRM CC(C)(C)c1ccc(N=NCc2cccc(OCC(=O)[O-])c2)nn1 ZINC001322975605 1329501993 /nfs/dbraw/zinc/50/19/93/1329501993.db2.gz NXVYRVXWTVYVAH-UHFFFAOYSA-N -1 0 328.372 2.684 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC001323175158 1329520419 /nfs/dbraw/zinc/52/04/19/1329520419.db2.gz SLPAFFSYZIKUQO-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM Cn1c(C(=O)[O-])cc(Br)c1C=NNCC1(C)CCCC1 ZINC001324143492 1329602974 /nfs/dbraw/zinc/60/29/74/1329602974.db2.gz SACGXHIGBLWMGR-UHFFFAOYSA-N -1 0 342.237 2.990 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccccc1C(=O)c1cccs1)C(=O)[O-] ZINC001325144608 1329673398 /nfs/dbraw/zinc/67/33/98/1329673398.db2.gz SBYUBLCNZUYYPF-ZDUSSCGKSA-N -1 0 329.377 2.738 20 30 EFEDRM C=CC[C@@H](NC(=O)C(CC)(CC)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001325182343 1329674394 /nfs/dbraw/zinc/67/43/94/1329674394.db2.gz RCGNTKBLZRZGNO-CQSZACIVSA-N -1 0 349.427 2.907 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C)ccc1C#N ZINC001326577841 1330320319 /nfs/dbraw/zinc/32/03/19/1330320319.db2.gz QNXYHZHMZVSWDD-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC001327012793 1330398682 /nfs/dbraw/zinc/39/86/82/1330398682.db2.gz FADDAKUURTZFPP-CYBMUJFWSA-N -1 0 344.392 2.760 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001327013290 1330398898 /nfs/dbraw/zinc/39/88/98/1330398898.db2.gz JMMOKUBTFKJVAC-AWEZNQCLSA-N -1 0 328.368 2.728 20 30 EFEDRM C[C@H](O)CN(C)N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001327459220 1330481511 /nfs/dbraw/zinc/48/15/11/1330481511.db2.gz BZRWUAJUASFWOH-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCCc2ccccc2)CCCC1 ZINC001331905821 1330889069 /nfs/dbraw/zinc/88/90/69/1330889069.db2.gz QMHRENIJDYUOMW-UHFFFAOYSA-N -1 0 348.468 2.929 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC001333624485 1331183084 /nfs/dbraw/zinc/18/30/84/1331183084.db2.gz PSXYHMZWFYAWFT-UHFFFAOYSA-N -1 0 326.805 2.619 20 30 EFEDRM CC#CC[C@@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC001334070869 1331244335 /nfs/dbraw/zinc/24/43/35/1331244335.db2.gz ZFCAVNCVPQHUJI-OAHLLOKOSA-N -1 0 330.409 2.678 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@H]1CCCSC1 ZINC001337006171 1331526495 /nfs/dbraw/zinc/52/64/95/1331526495.db2.gz DZUWIIHJUVVJIX-HNNXBMFYSA-N -1 0 336.457 2.944 20 30 EFEDRM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]n(CC)c2=O)n1CC=C ZINC001338694762 1331726193 /nfs/dbraw/zinc/72/61/93/1331726193.db2.gz ZLPZZTDBDOUSJY-CQSZACIVSA-N -1 0 342.447 2.988 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001338694382 1331726395 /nfs/dbraw/zinc/72/63/95/1331726395.db2.gz WOOPAOSGGARWRB-CHWSQXEVSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001338709160 1331728031 /nfs/dbraw/zinc/72/80/31/1331728031.db2.gz LDOGWDYPPWHBGV-RYUDHWBXSA-N -1 0 340.431 2.596 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@H]1CC ZINC001338852493 1331747053 /nfs/dbraw/zinc/74/70/53/1331747053.db2.gz XLGSUHLVOZDMTC-GXTWGEPZSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CCC=C(C)C1 ZINC001339037621 1331775411 /nfs/dbraw/zinc/77/54/11/1331775411.db2.gz RPADROWYXKBGMY-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001339739531 1331947586 /nfs/dbraw/zinc/94/75/86/1331947586.db2.gz BEMZXHXMTADTPM-OAHLLOKOSA-N -1 0 343.383 2.521 20 30 EFEDRM CCN(Cc1ccccc1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001340991608 1332225707 /nfs/dbraw/zinc/22/57/07/1332225707.db2.gz FBZBZCDEZLUYJV-UHFFFAOYSA-N -1 0 348.410 2.964 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)F)cc1F ZINC001342112404 1332305885 /nfs/dbraw/zinc/30/58/85/1332305885.db2.gz ZFUGVSUBGLBGAU-GFCCVEGCSA-N -1 0 340.301 2.808 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@@H]1C ZINC001342248631 1332323679 /nfs/dbraw/zinc/32/36/79/1332323679.db2.gz UMBNUOOULBKJKP-OLZOCXBDSA-N -1 0 330.436 2.678 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1nsc2ccccc21 ZINC001343474519 1332349610 /nfs/dbraw/zinc/34/96/10/1332349610.db2.gz RJAYIKARXDLHFV-CYBMUJFWSA-N -1 0 345.424 2.550 20 30 EFEDRM C=C1CCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC(C)C)CC1 ZINC001343491046 1332350595 /nfs/dbraw/zinc/35/05/95/1332350595.db2.gz QNXDVZWRIXDEAJ-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM N#C[C@@H](C(=O)c1cnc2n1CCCCC2)c1nc(N)c2ccccc2n1 ZINC001343502500 1332351800 /nfs/dbraw/zinc/35/18/00/1332351800.db2.gz XFRQIJYALNEHHE-ZDUSSCGKSA-N -1 0 346.394 2.625 20 30 EFEDRM C[C@@H](Sc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC001343618314 1332363407 /nfs/dbraw/zinc/36/34/07/1332363407.db2.gz PMWVVIPDIGTFKS-ZWNOBZJWSA-N -1 0 331.372 2.632 20 30 EFEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001344322416 1332441099 /nfs/dbraw/zinc/44/10/99/1332441099.db2.gz OHAANINLEVDBPB-NSHDSACASA-N -1 0 342.790 2.532 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001344334217 1332443279 /nfs/dbraw/zinc/44/32/79/1332443279.db2.gz GVLFJSADFUQLQM-QMMMGPOBSA-N -1 0 340.754 2.690 20 30 EFEDRM Cc1coc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1C ZINC001344428209 1332452056 /nfs/dbraw/zinc/45/20/56/1332452056.db2.gz XZRZRYXUEILREG-GFCCVEGCSA-N -1 0 332.306 2.814 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)C(=O)[O-] ZINC001344556570 1332463525 /nfs/dbraw/zinc/46/35/25/1332463525.db2.gz QWZNOYFXPGFCKB-HNNXBMFYSA-N -1 0 345.374 2.894 20 30 EFEDRM C=CCN(C)c1nnc(-c2ccc(Cl)cc2O)n1C[C@H]1CCOC1 ZINC001345585254 1332551225 /nfs/dbraw/zinc/55/12/25/1332551225.db2.gz SWKABGQTLCNMNE-GFCCVEGCSA-N -1 0 348.834 2.963 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cnc(C2CC2)o1 ZINC001345837763 1332577508 /nfs/dbraw/zinc/57/75/08/1332577508.db2.gz HREPURLVSUGXSF-CYBMUJFWSA-N -1 0 343.770 2.844 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccnc1OC)c1ccccc1 ZINC001345871539 1332580214 /nfs/dbraw/zinc/58/02/14/1332580214.db2.gz DQQIVPBKBRXOLX-HZPDHXFCSA-N -1 0 337.379 2.680 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1 ZINC001346054161 1332595145 /nfs/dbraw/zinc/59/51/45/1332595145.db2.gz NAVOQZZMKOXMOB-CYBMUJFWSA-N -1 0 347.378 2.884 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccn1 ZINC001346064409 1332595748 /nfs/dbraw/zinc/59/57/48/1332595748.db2.gz BZZKSQAQBSHSRL-GFCCVEGCSA-N -1 0 335.392 2.819 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2nccn2CC)nnn1Cc1ccccc1 ZINC001346097142 1332598859 /nfs/dbraw/zinc/59/88/59/1332598859.db2.gz YPJGCOXHGIXNSC-HNNXBMFYSA-N -1 0 348.410 2.595 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001346671422 1332670893 /nfs/dbraw/zinc/67/08/93/1332670893.db2.gz XDPINDHMVVSEQT-IHRRRGAJSA-N -1 0 344.463 2.924 20 30 EFEDRM CCn1ccnc1C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001347337206 1332735736 /nfs/dbraw/zinc/73/57/36/1332735736.db2.gz DVMMVMPLYUPEJJ-OAHLLOKOSA-N -1 0 346.394 2.851 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCCCc2cccnc2)cc1C#N ZINC001347917701 1332784897 /nfs/dbraw/zinc/78/48/97/1332784897.db2.gz KIFQSUJHIZKLGV-UHFFFAOYSA-N -1 0 329.381 2.565 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N(C)CCCF ZINC001351656948 1333264741 /nfs/dbraw/zinc/26/47/41/1333264741.db2.gz QAOOHFDJSUFUJO-UHFFFAOYSA-N -1 0 335.339 2.541 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)c(F)c1 ZINC000847534717 1333859680 /nfs/dbraw/zinc/85/96/80/1333859680.db2.gz VJEKNJQQDHEEAS-LBPRGKRZSA-N -1 0 338.379 2.811 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC000847621401 1334015523 /nfs/dbraw/zinc/01/55/23/1334015523.db2.gz LUHQMXMYHXZCSS-GFCCVEGCSA-N -1 0 342.317 2.629 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001354293233 1334216223 /nfs/dbraw/zinc/21/62/23/1334216223.db2.gz MEMNENQXRDKYGA-CJNGLKHVSA-N -1 0 331.416 2.676 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC001200798153 1334548844 /nfs/dbraw/zinc/54/88/44/1334548844.db2.gz IKHRHQUTOXLYNY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)cc1 ZINC000848415850 1334713368 /nfs/dbraw/zinc/71/33/68/1334713368.db2.gz QUQYFWPTUFUYAC-UHFFFAOYSA-N -1 0 345.424 2.658 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cn(C(C)C)nc2C)n1 ZINC000848814588 1334917813 /nfs/dbraw/zinc/91/78/13/1334917813.db2.gz XGSUMUPITUYQJV-GFCCVEGCSA-N -1 0 346.412 2.571 20 30 EFEDRM C=CCn1c(-c2c[nH][nH]c2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001355998292 1334927216 /nfs/dbraw/zinc/92/72/16/1334927216.db2.gz UXEQPPVHJGYVIL-ZDUSSCGKSA-N -1 0 328.420 2.576 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000848951255 1335005667 /nfs/dbraw/zinc/00/56/67/1335005667.db2.gz XTCZGXZNVDWPGK-QLJPJBMISA-N -1 0 338.791 2.645 20 30 EFEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3cccc(F)n3)cn2)n1 ZINC001357598415 1335319658 /nfs/dbraw/zinc/31/96/58/1335319658.db2.gz GGSJLJKAUHDMFZ-LBPRGKRZSA-N -1 0 341.371 2.915 20 30 EFEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3cccc(F)n3)cn2)n1 ZINC001357598414 1335319772 /nfs/dbraw/zinc/31/97/72/1335319772.db2.gz GGSJLJKAUHDMFZ-GFCCVEGCSA-N -1 0 341.371 2.915 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000849332291 1335592631 /nfs/dbraw/zinc/59/26/31/1335592631.db2.gz LBUUNGQCKFKBSH-SHQCLWGWSA-N -1 0 335.425 2.761 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000150025713 1335941247 /nfs/dbraw/zinc/94/12/47/1335941247.db2.gz QJMIPFPGZDAVIK-JTQLQIEISA-N -1 0 332.581 2.862 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C#N)ccc2F)cc1C#N ZINC001361494174 1336122488 /nfs/dbraw/zinc/12/24/88/1336122488.db2.gz NEVIRBCGZLLJEJ-UHFFFAOYSA-N -1 0 328.328 2.644 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC001361807665 1336348186 /nfs/dbraw/zinc/34/81/86/1336348186.db2.gz AQFCMDBISMJTQG-UHFFFAOYSA-N -1 0 347.403 2.989 20 30 EFEDRM N#CCc1cccc(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001362448506 1336615162 /nfs/dbraw/zinc/61/51/62/1336615162.db2.gz FRMHVISKFYPOAD-UHFFFAOYSA-N -1 0 332.157 2.868 20 30 EFEDRM N#Cc1nc(NC(=O)c2c(Cl)cccc2OCC2CC2)[n-]c1C#N ZINC001362611665 1336673349 /nfs/dbraw/zinc/67/33/49/1336673349.db2.gz IEZGIJWCAZIJFJ-UHFFFAOYSA-N -1 0 341.758 2.848 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)cc1[O-] ZINC001362782469 1336739891 /nfs/dbraw/zinc/73/98/91/1336739891.db2.gz AAHWZJGYQRLMRA-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccccc1[O-] ZINC001414287652 1370174850 /nfs/dbraw/zinc/17/48/50/1370174850.db2.gz BFGHUJVEMUUAEK-OAHLLOKOSA-N -1 0 328.393 2.620 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)cc1 ZINC001417572266 1373048615 /nfs/dbraw/zinc/04/86/15/1373048615.db2.gz PLHGMETWXPEKLP-UHFFFAOYSA-N -1 0 341.798 2.880 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)c(F)c1 ZINC001424223889 1382881543 /nfs/dbraw/zinc/88/15/43/1382881543.db2.gz HGRQSBZEMPXMHO-STQMWFEESA-N -1 0 340.395 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCc2cnc(C3CC3)o2)cc1C#N ZINC001462140878 1396423887 /nfs/dbraw/zinc/42/38/87/1396423887.db2.gz IUSMYRQCGSFRQY-UHFFFAOYSA-N -1 0 331.353 2.603 20 30 EFEDRM N#Cc1cc(NC(=O)CCCc2nnn[n-]2)ccc1Oc1ccccc1 ZINC001467350349 1396845913 /nfs/dbraw/zinc/84/59/13/1396845913.db2.gz QFEXXASNTPAPAJ-UHFFFAOYSA-N -1 0 348.366 2.825 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccccc2C(F)(F)F)[n-]c1C#N ZINC001469566346 1397038709 /nfs/dbraw/zinc/03/87/09/1397038709.db2.gz JLEDNGSWVQCVOC-UHFFFAOYSA-N -1 0 333.273 2.743 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC001471226513 1397151218 /nfs/dbraw/zinc/15/12/18/1397151218.db2.gz JAEFXCKSJOPFHQ-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC001471868458 1397217902 /nfs/dbraw/zinc/21/79/02/1397217902.db2.gz MQXRKJWUYNZJET-OZAJXLCCSA-N -1 0 342.420 2.552 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1Br ZINC001548515851 1404534196 /nfs/dbraw/zinc/53/41/96/1404534196.db2.gz SCEGBTZICLCRJF-JTQLQIEISA-N -1 0 348.204 2.528 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825039807 1428243681 /nfs/dbraw/zinc/24/36/81/1428243681.db2.gz WLLIBGWUPRIWAP-LBPRGKRZSA-N -1 0 348.366 2.691 20 30 EFEDRM Cc1c(Cl)cnc(NCc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826240143 1428284298 /nfs/dbraw/zinc/28/42/98/1428284298.db2.gz FENUYJNRUWZTBY-UHFFFAOYSA-N -1 0 325.763 2.707 20 30 EFEDRM CC(C)[C@H](C#N)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820016729 1428354220 /nfs/dbraw/zinc/35/42/20/1428354220.db2.gz OZTXUXTVZSTWQR-HNNXBMFYSA-N -1 0 343.387 2.507 20 30 EFEDRM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1F ZINC000825632648 1428669456 /nfs/dbraw/zinc/66/94/56/1428669456.db2.gz YVLBIKCZFLWRDK-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(C)c1 ZINC000735418589 1428691033 /nfs/dbraw/zinc/69/10/33/1428691033.db2.gz HJKXWARWCGFSHB-UHFFFAOYSA-N -1 0 347.422 2.932 20 30 EFEDRM N#CC[C@H](NCc1oc(Br)cc1C(=O)[O-])C(F)(F)F ZINC001601062398 1413337760 /nfs/dbraw/zinc/33/77/60/1413337760.db2.gz PPIMABDIXVITTL-ZETCQYMHSA-N -1 0 341.083 2.674 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826386662 1428742951 /nfs/dbraw/zinc/74/29/51/1428742951.db2.gz NSTZFVDPGPIXDB-UHFFFAOYSA-N -1 0 342.366 2.741 20 30 EFEDRM Clc1cc(NN=Cc2cccc3c2OCO3)ccc1-c1nn[n-]n1 ZINC000826351708 1428753265 /nfs/dbraw/zinc/75/32/65/1428753265.db2.gz XHEDWPJCGRXDBC-UHFFFAOYSA-N -1 0 342.746 2.695 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(C#N)c1 ZINC000823958770 1428766212 /nfs/dbraw/zinc/76/62/12/1428766212.db2.gz VQASUSZYEFHHTR-UHFFFAOYSA-N -1 0 338.762 2.623 20 30 EFEDRM C=CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819729553 1428788542 /nfs/dbraw/zinc/78/85/42/1428788542.db2.gz IYWOJMNPIFBMOS-LBPRGKRZSA-N -1 0 326.404 2.535 20 30 EFEDRM Cn1cc([C@@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552448148 1414455425 /nfs/dbraw/zinc/45/54/25/1414455425.db2.gz QDJATPBXARLQSV-CZUORRHYSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449273 1414456272 /nfs/dbraw/zinc/45/62/72/1414456272.db2.gz ZGRZDUPIOOYXCV-UKRRQHHQSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552454423 1414457362 /nfs/dbraw/zinc/45/73/62/1414457362.db2.gz OHNQGYTWLATMJM-YOEHRIQHSA-N -1 0 342.399 2.613 20 30 EFEDRM Cn1cc([C@@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552453773 1414457556 /nfs/dbraw/zinc/45/75/56/1414457556.db2.gz MLKRGXHQTZYMDG-BDJLRTHQSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552762386 1414550361 /nfs/dbraw/zinc/55/03/61/1414550361.db2.gz DZELCYLQOCWRRL-DOMZBBRYSA-N -1 0 346.362 2.916 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000735418102 1428902579 /nfs/dbraw/zinc/90/25/79/1428902579.db2.gz AGXIXAOWRWKQPE-HNNXBMFYSA-N -1 0 340.431 2.610 20 30 EFEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC)o2)cc1 ZINC000132648509 1417296613 /nfs/dbraw/zinc/29/66/13/1417296613.db2.gz VTKJAZJPSCRREY-CYBMUJFWSA-N -1 0 340.335 2.590 20 30 EFEDRM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(C#N)cc1 ZINC000825379742 1429185467 /nfs/dbraw/zinc/18/54/67/1429185467.db2.gz KHVZQYBICDFWRH-UHFFFAOYSA-N -1 0 332.367 2.714 20 30 EFEDRM Fc1cc2c(c(F)c1)CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826372926 1429299735 /nfs/dbraw/zinc/29/97/35/1429299735.db2.gz SAVXWDVHTQAUOP-UHFFFAOYSA-N -1 0 326.310 2.907 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000164250711 1419373439 /nfs/dbraw/zinc/37/34/39/1419373439.db2.gz VHOWLDLZGRDDRC-JTQLQIEISA-N -1 0 331.141 2.739 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826178310 1429431032 /nfs/dbraw/zinc/43/10/32/1429431032.db2.gz SCNYVPIEPKLEMR-CMDGGOBGSA-N -1 0 335.367 2.783 20 30 EFEDRM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822814565 1429434225 /nfs/dbraw/zinc/43/42/25/1429434225.db2.gz JJPDYLMMRRZAFJ-YVMONPNESA-N -1 0 349.325 2.804 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(OC)c1 ZINC000821769214 1423481211 /nfs/dbraw/zinc/48/12/11/1423481211.db2.gz FMRVBEPHUKEWDQ-XQRVVYSFSA-N -1 0 342.380 2.842 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000826401611 1423778350 /nfs/dbraw/zinc/77/83/50/1423778350.db2.gz CKOOEBOBEBQCRY-ZHACJKMWSA-N -1 0 342.362 2.949 20 30 EFEDRM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1 ZINC000820508623 1423846115 /nfs/dbraw/zinc/84/61/15/1423846115.db2.gz TYEMAARCXOYPJL-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737705814 1423902454 /nfs/dbraw/zinc/90/24/54/1423902454.db2.gz RGYPBZXWQULCQH-SOFGYWHQSA-N -1 0 349.325 2.634 20 30 EFEDRM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C(C)C ZINC000735417030 1424582394 /nfs/dbraw/zinc/58/23/94/1424582394.db2.gz XKLZDWCLQOZIBR-UHFFFAOYSA-N -1 0 331.424 2.852 20 30 EFEDRM C=CCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735416969 1429738642 /nfs/dbraw/zinc/73/86/42/1429738642.db2.gz VMDDWBLZSSGBAU-UHFFFAOYSA-N -1 0 340.339 2.772 20 30 EFEDRM C=CCN(CC=C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823903961 1424626711 /nfs/dbraw/zinc/62/67/11/1424626711.db2.gz PCDQRKLXYXRTRT-UHFFFAOYSA-N -1 0 334.221 2.803 20 30 EFEDRM C#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735376086 1424649846 /nfs/dbraw/zinc/64/98/46/1424649846.db2.gz XAVMWEHSZZNHBB-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM O=C(OCC#Cc1cccc(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000823396403 1424784318 /nfs/dbraw/zinc/78/43/18/1424784318.db2.gz IKVPEKMRSMKZGW-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM C#CCOc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735388286 1424824784 /nfs/dbraw/zinc/82/47/84/1424824784.db2.gz WSQPIJJIJLRGDB-UHFFFAOYSA-N -1 0 337.295 2.579 20 30 EFEDRM N#Cc1csc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826387768 1424847378 /nfs/dbraw/zinc/84/73/78/1424847378.db2.gz QAEGVGMHJGSKQU-UHFFFAOYSA-N -1 0 329.776 2.899 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2sccc2-c2nnn[n-]2)c1C#N ZINC000736679218 1424930631 /nfs/dbraw/zinc/93/06/31/1424930631.db2.gz OQSFMYHEUZDKBB-UHFFFAOYSA-N -1 0 344.425 2.985 20 30 EFEDRM N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716198 1424934862 /nfs/dbraw/zinc/93/48/62/1424934862.db2.gz MCPMYEIZEILRGQ-CYBMUJFWSA-N -1 0 344.378 2.797 20 30 EFEDRM Cc1c(C#N)cccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822015953 1425005378 /nfs/dbraw/zinc/00/53/78/1425005378.db2.gz RCBTZAVWSCPNBZ-UHFFFAOYSA-N -1 0 335.396 2.856 20 30 EFEDRM C#CCOc1ccccc1CN(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000823861241 1425019408 /nfs/dbraw/zinc/01/94/08/1425019408.db2.gz AQLUPPIOBMTMKK-UHFFFAOYSA-N -1 0 339.424 2.572 20 30 EFEDRM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400959 1425040356 /nfs/dbraw/zinc/04/03/56/1425040356.db2.gz LYYLDXRHWBTWMO-ORCRQEGFSA-N -1 0 329.722 2.950 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826400714 1425115513 /nfs/dbraw/zinc/11/55/13/1425115513.db2.gz GDPKJXJVWPYBDR-ALCCZGGFSA-N -1 0 339.286 2.810 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822015323 1425187304 /nfs/dbraw/zinc/18/73/04/1425187304.db2.gz ILEBLGBORJSUHQ-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735446606 1425278572 /nfs/dbraw/zinc/27/85/72/1425278572.db2.gz BOKWKCHWXFNEHN-DHZHZOJOSA-N -1 0 348.341 2.919 20 30 EFEDRM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823937177 1425331695 /nfs/dbraw/zinc/33/16/95/1425331695.db2.gz LCZDJXYOXPGMCB-UHFFFAOYSA-N -1 0 339.355 2.541 20 30 EFEDRM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000737263853 1425395169 /nfs/dbraw/zinc/39/51/69/1425395169.db2.gz WLYVDSQBTGLKDV-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM C[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503223 1425429960 /nfs/dbraw/zinc/42/99/60/1425429960.db2.gz JKTMDZAHZYQLQP-LLVKDONJSA-N -1 0 335.323 2.728 20 30 EFEDRM C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455340 1425455026 /nfs/dbraw/zinc/45/50/26/1425455026.db2.gz HIHXEICATDRHOT-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736615718 1425512172 /nfs/dbraw/zinc/51/21/72/1425512172.db2.gz LHAPAANHHYAJHL-JTQLQIEISA-N -1 0 333.396 2.581 20 30 EFEDRM C[C@@H](C#N)CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC000824034459 1425545344 /nfs/dbraw/zinc/54/53/44/1425545344.db2.gz KEAGOZIUCPNSBM-JTQLQIEISA-N -1 0 348.357 2.592 20 30 EFEDRM C#CCOc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381763 1425627741 /nfs/dbraw/zinc/62/77/41/1425627741.db2.gz ZMTAYMZGQFWLPR-ZHACJKMWSA-N -1 0 345.362 2.531 20 30 EFEDRM O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000823647269 1425635634 /nfs/dbraw/zinc/63/56/34/1425635634.db2.gz JKPHEIHNTFPNQY-UHFFFAOYSA-N -1 0 348.326 2.702 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822333134 1425642155 /nfs/dbraw/zinc/64/21/55/1425642155.db2.gz YAPSMRDZRKXWHR-SECBINFHSA-N -1 0 349.379 2.603 20 30 EFEDRM CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820198439 1425833750 /nfs/dbraw/zinc/83/37/50/1425833750.db2.gz VVGBSCJVVPMNNT-MRVPVSSYSA-N -1 0 344.425 2.998 20 30 EFEDRM N#Cc1cccc(OCCCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000822837332 1425904471 /nfs/dbraw/zinc/90/44/71/1425904471.db2.gz KDYHRAJUTROYMP-UHFFFAOYSA-N -1 0 338.396 2.695 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000821849961 1425930952 /nfs/dbraw/zinc/93/09/52/1425930952.db2.gz UHHJYHAXRYQPAK-WTKPLQERSA-N -1 0 340.364 2.596 20 30 EFEDRM CCC1(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCOCC1 ZINC000825164721 1426091311 /nfs/dbraw/zinc/09/13/11/1426091311.db2.gz HQJBJXSJQFAKCG-UHFFFAOYSA-N -1 0 347.423 2.757 20 30 EFEDRM c1[nH]c(-c2ccccc2)nc1CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735397385 1426212668 /nfs/dbraw/zinc/21/26/68/1426212668.db2.gz BNIOYEMBCKZVAO-UHFFFAOYSA-N -1 0 330.355 2.703 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819729834 1426269652 /nfs/dbraw/zinc/26/96/52/1426269652.db2.gz NKKZBDCHFALBJS-CYBMUJFWSA-N -1 0 349.394 2.750 20 30 EFEDRM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503556 1426279974 /nfs/dbraw/zinc/27/99/74/1426279974.db2.gz GXAHDXIQSJMMAZ-FMIVXFBMSA-N -1 0 346.346 2.808 20 30 EFEDRM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000824783266 1426378802 /nfs/dbraw/zinc/37/88/02/1426378802.db2.gz FDQPJTUPVDZRSD-GXFFZTMASA-N -1 0 332.795 2.733 20 30 EFEDRM Clc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826352543 1426643097 /nfs/dbraw/zinc/64/30/97/1426643097.db2.gz FPUSRIMGLDASPC-UHFFFAOYSA-N -1 0 338.802 2.960 20 30 EFEDRM C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736136870 1426653994 /nfs/dbraw/zinc/65/39/94/1426653994.db2.gz HWWXRXTUZQBXML-LLVKDONJSA-N -1 0 342.366 2.855 20 30 EFEDRM N#Cc1ccc(NC(=O)c2sccc2C2CC2)cc1-c1nn[n-]n1 ZINC000737719363 1426678890 /nfs/dbraw/zinc/67/88/90/1426678890.db2.gz PKBHOONWZCFEME-UHFFFAOYSA-N -1 0 336.380 2.930 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823882732 1426825414 /nfs/dbraw/zinc/82/54/14/1426825414.db2.gz CFJNGFRNNXRMCW-LBPRGKRZSA-N -1 0 335.367 2.963 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821668693 1426869845 /nfs/dbraw/zinc/86/98/45/1426869845.db2.gz DUOMZKGLKFFRGO-VOTSOKGWSA-N -1 0 340.364 2.611 20 30 EFEDRM C=CCOc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819758804 1426919644 /nfs/dbraw/zinc/91/96/44/1426919644.db2.gz HOOVULTVEGWGAR-UHFFFAOYSA-N -1 0 340.314 2.790 20 30 EFEDRM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735446617 1426927961 /nfs/dbraw/zinc/92/79/61/1426927961.db2.gz BXYDOLMNIVZYKE-FMIVXFBMSA-N -1 0 330.351 2.780 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823894248 1426934981 /nfs/dbraw/zinc/93/49/81/1426934981.db2.gz LJVBTIZBAXGSHC-NSHDSACASA-N -1 0 332.383 2.550 20 30 EFEDRM C#CCOc1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735387942 1426953363 /nfs/dbraw/zinc/95/33/63/1426953363.db2.gz LUQSSNQZMKQYHH-UHFFFAOYSA-N -1 0 327.731 2.719 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC000737709890 1427002049 /nfs/dbraw/zinc/00/20/49/1427002049.db2.gz RTKMBHRAILOUBV-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821669100 1427086922 /nfs/dbraw/zinc/08/69/22/1427086922.db2.gz XRTYWAPVIMEFQR-VURMDHGXSA-N -1 0 340.364 2.611 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823893869 1427095771 /nfs/dbraw/zinc/09/57/71/1427095771.db2.gz AFNIVFNOIWQCBZ-NSHDSACASA-N -1 0 332.383 2.550 20 30 EFEDRM COc1ccc(O)c(C=Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821837705 1427175467 /nfs/dbraw/zinc/17/54/67/1427175467.db2.gz GDBHJAPPUMQQPQ-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819740406 1427205045 /nfs/dbraw/zinc/20/50/45/1427205045.db2.gz ZDZDKJZIOIKGTQ-LBPRGKRZSA-N -1 0 345.403 2.574 20 30 EFEDRM Fc1cccc(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822787368 1427243257 /nfs/dbraw/zinc/24/32/57/1427243257.db2.gz ZYBFWCWQCOXGAO-UHFFFAOYSA-N -1 0 341.346 2.825 20 30 EFEDRM CCOc1ccc(O)c(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821421775 1427264145 /nfs/dbraw/zinc/26/41/45/1427264145.db2.gz FGYOKNQEDZVAFY-VXLYETTFSA-N -1 0 341.346 2.729 20 30 EFEDRM Cc1ccncc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823963210 1427274280 /nfs/dbraw/zinc/27/42/80/1427274280.db2.gz XRVKLADIAJGCGA-UHFFFAOYSA-N -1 0 326.364 2.518 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000826251058 1427382717 /nfs/dbraw/zinc/38/27/17/1427382717.db2.gz DEJXQYKUVFUQFJ-HNNXBMFYSA-N -1 0 325.372 2.804 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826498487 1427462165 /nfs/dbraw/zinc/46/21/65/1427462165.db2.gz XBYSHIDOSFPFHV-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1coc(-c2ccccc2)n1 ZINC000823861907 1427479939 /nfs/dbraw/zinc/47/99/39/1427479939.db2.gz SRFTXWYPTLYCJV-UHFFFAOYSA-N -1 0 331.339 2.968 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000735418184 1427589933 /nfs/dbraw/zinc/58/99/33/1427589933.db2.gz CUVFFLPGADPYAM-XJKSGUPXSA-N -1 0 340.431 2.753 20 30 EFEDRM Cc1cccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822304137 1427591350 /nfs/dbraw/zinc/59/13/50/1427591350.db2.gz QLYWNNUXCRJSBH-UHFFFAOYSA-N -1 0 331.383 2.780 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824034133 1427603337 /nfs/dbraw/zinc/60/33/37/1427603337.db2.gz HICJOUPWIHJDQK-NSHDSACASA-N -1 0 349.354 2.802 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826256981 1427607187 /nfs/dbraw/zinc/60/71/87/1427607187.db2.gz IYATVAWOERTZSG-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495237 1427618193 /nfs/dbraw/zinc/61/81/93/1427618193.db2.gz FBEOPLYBVRCGTP-ZDUSSCGKSA-N -1 0 347.378 2.975 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000822218167 1427629887 /nfs/dbraw/zinc/62/98/87/1427629887.db2.gz YZAYQDYZLOKLQJ-LBPRGKRZSA-N -1 0 347.382 2.930 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822837893 1427634745 /nfs/dbraw/zinc/63/47/45/1427634745.db2.gz XMBPXCWAECRFPB-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM COc1ccc(CN(CCC#N)CCC(C)C)cc1-c1nn[n-]n1 ZINC000826193990 1427754116 /nfs/dbraw/zinc/75/41/16/1427754116.db2.gz WPHCDQBDUCKPPC-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM COc1ccc(O)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826210387 1427842047 /nfs/dbraw/zinc/84/20/47/1427842047.db2.gz PIGQKMNCLYJIPB-ONEGZZNKSA-N -1 0 328.353 2.539 20 30 EFEDRM FC(F)(F)c1csc(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC000826369164 1427982496 /nfs/dbraw/zinc/98/24/96/1427982496.db2.gz PTSIVQVLYVGTEY-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673528 1428035317 /nfs/dbraw/zinc/03/53/17/1428035317.db2.gz BBWXGTQSCUIWRE-LLVKDONJSA-N -1 0 344.787 2.576 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cncc3ccccc32)o1 ZINC000820203295 1428061649 /nfs/dbraw/zinc/06/16/49/1428061649.db2.gz RGUGYFDEDLXJLL-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735437087 1428084425 /nfs/dbraw/zinc/08/44/25/1428084425.db2.gz DLOQXIQFJSHMSO-UHFFFAOYSA-N -1 0 346.350 2.555 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822210917 1428112035 /nfs/dbraw/zinc/11/20/35/1428112035.db2.gz WKMPICMOLKITAV-LFYBBSHMSA-N -1 0 326.337 2.558 20 30 EFEDRM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2 ZINC000737371655 1428149017 /nfs/dbraw/zinc/14/90/17/1428149017.db2.gz HIJJBWINJKSMTN-RIYZIHGNSA-N -1 0 342.362 2.645 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823839041 1428184970 /nfs/dbraw/zinc/18/49/70/1428184970.db2.gz YXZHYHKSSJIPCU-QGZVFWFLSA-N -1 0 331.379 2.670 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894932 1429790180 /nfs/dbraw/zinc/79/01/80/1429790180.db2.gz ZTEUUVIINWJLIO-OLZOCXBDSA-N -1 0 328.420 2.972 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC#Cc1ccc(F)cc1 ZINC000826251123 1429797312 /nfs/dbraw/zinc/79/73/12/1429797312.db2.gz FXOHGAAYTXWKCU-UHFFFAOYSA-N -1 0 336.326 2.523 20 30 EFEDRM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824778463 1429876311 /nfs/dbraw/zinc/87/63/11/1429876311.db2.gz PNXRZGXAMMNZBN-AWEZNQCLSA-N -1 0 347.220 2.759 20 30 EFEDRM C#CCOc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823856795 1429902990 /nfs/dbraw/zinc/90/29/90/1429902990.db2.gz YJACXHFQMIXPAE-UHFFFAOYSA-N -1 0 333.395 2.511 20 30 EFEDRM C[C@@H](CC#N)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735974162 1430080189 /nfs/dbraw/zinc/08/01/89/1430080189.db2.gz JSPHPAUJYYWCHO-LBPRGKRZSA-N -1 0 333.351 2.993 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)C(C)C ZINC000735421430 1430080307 /nfs/dbraw/zinc/08/03/07/1430080307.db2.gz ZJTJKYVFBIVHFM-CQSZACIVSA-N -1 0 342.447 2.856 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000826191123 1430085475 /nfs/dbraw/zinc/08/54/75/1430085475.db2.gz XTALKFODKFPLOR-XQRVVYSFSA-N -1 0 342.380 2.842 20 30 EFEDRM COc1cccc(C(C)=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826214235 1430184103 /nfs/dbraw/zinc/18/41/03/1430184103.db2.gz FQISFMNYKWADIZ-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM N#CCn1c(C(=O)Nc2sccc2-c2nnn[n-]2)cc2ccccc21 ZINC000737698412 1430227727 /nfs/dbraw/zinc/22/77/27/1430227727.db2.gz YAUNKOUIIPRBTP-UHFFFAOYSA-N -1 0 349.379 2.659 20 30 EFEDRM COc1ccc(C=CC(=O)c2scnc2C)cc1-c1nn[n-]n1 ZINC000737082521 1430236055 /nfs/dbraw/zinc/23/60/55/1430236055.db2.gz WPTJJZNWXFRELN-HWKANZROSA-N -1 0 327.369 2.536 20 30 EFEDRM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824730941 1441449887 /nfs/dbraw/zinc/44/98/87/1441449887.db2.gz RHWYEUYEJQEOKL-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155037 1441473713 /nfs/dbraw/zinc/47/37/13/1441473713.db2.gz GCQZBAQIJWJUPB-LBPRGKRZSA-N -1 0 333.351 2.585 20 30 EFEDRM CC(=O)Nc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823999874 1441475913 /nfs/dbraw/zinc/47/59/13/1441475913.db2.gz KZDVNCKNRANANK-UHFFFAOYSA-N -1 0 335.371 2.661 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822923084 1441477985 /nfs/dbraw/zinc/47/79/85/1441477985.db2.gz NRRNPAWXXNCBJT-SNAWJCMRSA-N -1 0 328.278 2.747 20 30 EFEDRM CN(C)c1cc(F)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000821588563 1441481393 /nfs/dbraw/zinc/48/13/93/1441481393.db2.gz YPDLUIYBSZIIFY-RMKNXTFCSA-N -1 0 337.358 2.968 20 30 EFEDRM C[C@H](OC(=O)c1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824731765 1441590757 /nfs/dbraw/zinc/59/07/57/1441590757.db2.gz YIGDNBGPPAOODX-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2ccccc2n1 ZINC000822801171 1441663526 /nfs/dbraw/zinc/66/35/26/1441663526.db2.gz FSEJVEIBBKFCLJ-NSHDSACASA-N -1 0 346.375 2.966 20 30 EFEDRM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737728638 1441694092 /nfs/dbraw/zinc/69/40/92/1441694092.db2.gz SKBUKLYOEUYGCE-UHFFFAOYSA-N -1 0 342.409 2.531 20 30 EFEDRM Cc1c2c(nc(SCc3ccnc(-c4nn[n-]n4)c3)c1C#N)CCC2 ZINC000826234467 1441703493 /nfs/dbraw/zinc/70/34/93/1441703493.db2.gz XWIUMCWCDKMDCJ-UHFFFAOYSA-N -1 0 349.423 2.618 20 30 EFEDRM Cc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737381619 1441711277 /nfs/dbraw/zinc/71/12/77/1441711277.db2.gz LPHNJVYLZBZLFX-VOTSOKGWSA-N -1 0 330.351 2.719 20 30 EFEDRM C[C@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824778464 1441799677 /nfs/dbraw/zinc/79/96/77/1441799677.db2.gz PNXRZGXAMMNZBN-CQSZACIVSA-N -1 0 347.220 2.759 20 30 EFEDRM C=CC1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402529 1441877454 /nfs/dbraw/zinc/87/74/54/1441877454.db2.gz DYASZXYAIIMXQQ-GFCCVEGCSA-N -1 0 326.404 2.535 20 30 EFEDRM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826177390 1441888900 /nfs/dbraw/zinc/88/89/00/1441888900.db2.gz GIESMSAFGMBLST-UHFFFAOYSA-N -1 0 326.335 2.851 20 30 EFEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1cccc(Cl)c1 ZINC000822740374 1441905449 /nfs/dbraw/zinc/90/54/49/1441905449.db2.gz IRMLQMPGIHCOFE-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM Cc1cc(N)cc(C)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826269557 1441914969 /nfs/dbraw/zinc/91/49/69/1441914969.db2.gz PLGMCHRVYFGTPK-UHFFFAOYSA-N -1 0 342.794 2.560 20 30 EFEDRM COc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000821787711 1441985824 /nfs/dbraw/zinc/98/58/24/1441985824.db2.gz YIWYOKCRXUIHHG-UHFFFAOYSA-N -1 0 348.288 2.739 20 30 EFEDRM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC000826266602 1442025870 /nfs/dbraw/zinc/02/58/70/1442025870.db2.gz VFMZTKODIFKFPS-UHFFFAOYSA-N -1 0 343.394 2.847 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735503985 1442050633 /nfs/dbraw/zinc/05/06/33/1442050633.db2.gz LKHKYEXSWWDYJR-LJQANCHMSA-N -1 0 346.394 2.512 20 30 EFEDRM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826376357 1442161768 /nfs/dbraw/zinc/16/17/68/1442161768.db2.gz ZSZFILDDNIZXGZ-UHFFFAOYSA-N -1 0 336.374 2.836 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000736309212 1442237894 /nfs/dbraw/zinc/23/78/94/1442237894.db2.gz MEHOTNRGZHRLLS-CYBMUJFWSA-N -1 0 335.371 2.555 20 30 EFEDRM COc1ccc(C=NNc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737081743 1442242120 /nfs/dbraw/zinc/24/21/20/1442242120.db2.gz AULXXDBSWKCSSK-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(C#N)c2n1CCC2 ZINC000737201695 1442248158 /nfs/dbraw/zinc/24/81/58/1442248158.db2.gz HHDBJAKOEHRQAQ-RMKNXTFCSA-N -1 0 344.378 2.691 20 30 EFEDRM N#CC1(c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380552 1442374657 /nfs/dbraw/zinc/37/46/57/1442374657.db2.gz DUGAIHLQRRDPPM-UHFFFAOYSA-N -1 0 331.335 2.641 20 30 EFEDRM CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197187 1442387544 /nfs/dbraw/zinc/38/75/44/1442387544.db2.gz HBGHVCXODZIHMJ-LBPRGKRZSA-N -1 0 338.396 2.937 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826383527 1442402918 /nfs/dbraw/zinc/40/29/18/1442402918.db2.gz FKTWFRBRMAOAHS-UHFFFAOYSA-N -1 0 339.742 2.749 20 30 EFEDRM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826210176 1442406002 /nfs/dbraw/zinc/40/60/02/1442406002.db2.gz IBMPTQOQLHBDJH-HYXAFXHYSA-N -1 0 328.353 2.539 20 30 EFEDRM N#Cc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737711080 1442407043 /nfs/dbraw/zinc/40/70/43/1442407043.db2.gz YIKSBTQWCVMXJJ-UHFFFAOYSA-N -1 0 339.359 2.686 20 30 EFEDRM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2 ZINC000737371656 1442412903 /nfs/dbraw/zinc/41/29/03/1442412903.db2.gz HIJJBWINJKSMTN-ZSOIEALJSA-N -1 0 342.362 2.645 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826177910 1442414036 /nfs/dbraw/zinc/41/40/36/1442414036.db2.gz APBORAHLCKCTGR-FPLPWBNLSA-N -1 0 335.367 2.783 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826401011 1442439696 /nfs/dbraw/zinc/43/96/96/1442439696.db2.gz NBJRSDGFOLEZBP-FNORWQNLSA-N -1 0 339.286 2.810 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735505710 1442477585 /nfs/dbraw/zinc/47/75/85/1442477585.db2.gz VMZZTBSGULLFPP-LLVKDONJSA-N -1 0 334.339 2.757 20 30 EFEDRM C[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034940 1443225287 /nfs/dbraw/zinc/22/52/87/1443225287.db2.gz QMVZRUNLKPSDHF-QWHCGFSZSA-N -1 0 346.394 2.871 20 30 EFEDRM O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826499417 1443386599 /nfs/dbraw/zinc/38/65/99/1443386599.db2.gz HYCBBGVMGYJABJ-UHFFFAOYSA-N -1 0 348.326 2.702 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000822801948 1443479114 /nfs/dbraw/zinc/47/91/14/1443479114.db2.gz RZRVITIMCHMRDB-LLVKDONJSA-N -1 0 344.787 2.576 20 30 EFEDRM N#Cc1ccnc(SCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822842557 1443488728 /nfs/dbraw/zinc/48/87/28/1443488728.db2.gz OBDHFXDRYXIGGP-UHFFFAOYSA-N -1 0 338.396 2.695 20 30 EFEDRM C=CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819730423 1443526438 /nfs/dbraw/zinc/52/64/38/1443526438.db2.gz ZHYLUMNNYYKFHX-UHFFFAOYSA-N -1 0 332.795 2.950 20 30 EFEDRM C[C@H]1CCC[C@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000824929732 1443532584 /nfs/dbraw/zinc/53/25/84/1443532584.db2.gz YFXBVRALRFVCEY-UWVGGRQHSA-N -1 0 329.433 2.634 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822837884 1443683593 /nfs/dbraw/zinc/68/35/93/1443683593.db2.gz WRVOEPLGRHOIKP-YVMONPNESA-N -1 0 334.314 2.529 20 30 EFEDRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820054534 1443745925 /nfs/dbraw/zinc/74/59/25/1443745925.db2.gz AVLZWGOFTFTVTD-GFCCVEGCSA-N -1 0 342.403 2.518 20 30 EFEDRM CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820198217 1443767142 /nfs/dbraw/zinc/76/71/42/1443767142.db2.gz SWONQKZXRTZDAG-GFCCVEGCSA-N -1 0 338.396 2.937 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400640 1443863918 /nfs/dbraw/zinc/86/39/18/1443863918.db2.gz DGSTZEVPQWFZOL-DUXPYHPUSA-N -1 0 345.315 2.872 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)nc1 ZINC000819745426 1443887192 /nfs/dbraw/zinc/88/71/92/1443887192.db2.gz CERLPTFQDSUKKN-UHFFFAOYSA-N -1 0 349.398 2.790 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451206 1443891662 /nfs/dbraw/zinc/89/16/62/1443891662.db2.gz TUCVAHWCVYTMEU-UHFFFAOYSA-N -1 0 337.343 2.919 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCCCCCOc2ccccc2)o1 ZINC000822422826 1443945257 /nfs/dbraw/zinc/94/52/57/1443945257.db2.gz DFNLWDABPAFZNS-UHFFFAOYSA-N -1 0 341.375 2.810 20 30 EFEDRM C=CCC(CC=C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819734865 1443980824 /nfs/dbraw/zinc/98/08/24/1443980824.db2.gz VWDVKCLAWPUNQH-UHFFFAOYSA-N -1 0 328.372 2.557 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccccc1F ZINC000826172978 1443986419 /nfs/dbraw/zinc/98/64/19/1443986419.db2.gz HBCUBOIYHHTXEM-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM N#Cc1cccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826386903 1444023305 /nfs/dbraw/zinc/02/33/05/1444023305.db2.gz XTPWEPVCJMJCLX-HJWRWDBZSA-N -1 0 349.325 2.634 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826384187 1446180598 /nfs/dbraw/zinc/18/05/98/1446180598.db2.gz KMTWEJJRSCJUEZ-XQRVVYSFSA-N -1 0 337.289 2.913 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000819709829 1446402532 /nfs/dbraw/zinc/40/25/32/1446402532.db2.gz QWJUVULZUBBMLZ-UHFFFAOYSA-N -1 0 329.360 2.691 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737727253 1446537375 /nfs/dbraw/zinc/53/73/75/1446537375.db2.gz HYPYMVHUMDHTSX-VURMDHGXSA-N -1 0 349.325 2.634 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CO2 ZINC000826212599 1446584542 /nfs/dbraw/zinc/58/45/42/1446584542.db2.gz VLAKWCIZFRFAAV-XYOKQWHBSA-N -1 0 334.335 2.534 20 30 EFEDRM C#Cc1ccccc1C(C)=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823861981 1446674449 /nfs/dbraw/zinc/67/44/49/1446674449.db2.gz WBWMVVVGGIBJIK-UHFFFAOYSA-N -1 0 337.774 2.733 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000823899390 1446705117 /nfs/dbraw/zinc/70/51/17/1446705117.db2.gz VGONHUYAZAZQEM-UHFFFAOYSA-N -1 0 335.433 2.757 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(C#N)cc1 ZINC000821310091 1446705592 /nfs/dbraw/zinc/70/55/92/1446705592.db2.gz WNMGZGVFVDHFRR-UHFFFAOYSA-N -1 0 349.398 2.661 20 30 EFEDRM C#CCOc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735388326 1446747570 /nfs/dbraw/zinc/74/75/70/1446747570.db2.gz YTCWWTOIRQKHGG-UHFFFAOYSA-N -1 0 340.774 2.539 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821609756 1446781171 /nfs/dbraw/zinc/78/11/71/1446781171.db2.gz KPFBAMGTCLKAKR-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM CC(=NOCC(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962548 1446893234 /nfs/dbraw/zinc/89/32/34/1446893234.db2.gz LHKKHMMVRHAETQ-UHFFFAOYSA-N -1 0 339.403 2.757 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821770443 1446935706 /nfs/dbraw/zinc/93/57/06/1446935706.db2.gz UEYRVGPENPXZQG-HYXAFXHYSA-N -1 0 330.344 2.972 20 30 EFEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000823963241 1447011034 /nfs/dbraw/zinc/01/10/34/1447011034.db2.gz ZCJUXBZACVSWRI-UHFFFAOYSA-N -1 0 341.306 2.750 20 30 EFEDRM N#CCCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000737686834 1447081453 /nfs/dbraw/zinc/08/14/53/1447081453.db2.gz DYMJGZLEQQSXTE-UHFFFAOYSA-N -1 0 345.769 2.735 20 30 EFEDRM CCc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000736688863 1447096806 /nfs/dbraw/zinc/09/68/06/1447096806.db2.gz HGPCAPJJFTXTKG-UHFFFAOYSA-N -1 0 337.412 2.570 20 30 EFEDRM C#CCCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000819693041 1447171925 /nfs/dbraw/zinc/17/19/25/1447171925.db2.gz MFYRJJILICKENE-UHFFFAOYSA-N -1 0 328.326 2.909 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821668949 1447248687 /nfs/dbraw/zinc/24/86/87/1447248687.db2.gz RJSYGMGKOXQSFG-YHYXMXQVSA-N -1 0 334.335 2.549 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736513546 1447297225 /nfs/dbraw/zinc/29/72/25/1447297225.db2.gz PZSORKZSZSXWNQ-SECBINFHSA-N -1 0 349.851 2.698 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819688658 1447328475 /nfs/dbraw/zinc/32/84/75/1447328475.db2.gz LSWXMDJRGOZONC-LBPRGKRZSA-N -1 0 333.351 2.789 20 30 EFEDRM CCc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736684211 1447338469 /nfs/dbraw/zinc/33/84/69/1447338469.db2.gz WNGPDXFNHICDAU-UHFFFAOYSA-N -1 0 346.394 2.872 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)OCC ZINC000823873466 1449029972 /nfs/dbraw/zinc/02/99/72/1449029972.db2.gz MLGXDNRLRRDJTQ-LLVKDONJSA-N -1 0 347.444 2.727 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000821787723 1449088576 /nfs/dbraw/zinc/08/85/76/1449088576.db2.gz YNXPRFYJWDDTHV-KXFIGUGUSA-N -1 0 348.362 2.802 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819739609 1449161838 /nfs/dbraw/zinc/16/18/38/1449161838.db2.gz AQOHCCSENDDPPX-GFCCVEGCSA-N -1 0 329.429 2.548 20 30 EFEDRM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2c(cc1C#N)CCCC2 ZINC000825961545 1449285415 /nfs/dbraw/zinc/28/54/15/1449285415.db2.gz HWWMYFRHBYIXEQ-UHFFFAOYSA-N -1 0 345.410 2.649 20 30 EFEDRM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000819722528 1449454998 /nfs/dbraw/zinc/45/49/98/1449454998.db2.gz LRRILVVPVFVLPT-YHYXMXQVSA-N -1 0 349.466 2.706 20 30 EFEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403338 1449485386 /nfs/dbraw/zinc/48/53/86/1449485386.db2.gz PJHIVXANBPWLFP-KTKRTIGZSA-N -1 0 342.362 2.949 20 30 EFEDRM C#Cc1cccc(N(C(=O)c2sccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735389770 1449569096 /nfs/dbraw/zinc/56/90/96/1449569096.db2.gz IYNRBYKKEFAQKN-UHFFFAOYSA-N -1 0 337.408 2.965 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820173592 1449625406 /nfs/dbraw/zinc/62/54/06/1449625406.db2.gz JAGPBAZBNPXLAG-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1ccccc1Cl ZINC000822741546 1449714776 /nfs/dbraw/zinc/71/47/76/1449714776.db2.gz YONGSFVSOLTZKN-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737718121 1449729743 /nfs/dbraw/zinc/72/97/43/1449729743.db2.gz FMVRRSXZUITALA-UHFFFAOYSA-N -1 0 340.293 2.928 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737709248 1449805221 /nfs/dbraw/zinc/80/52/21/1449805221.db2.gz LWWDRUZCAVBXNI-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM C=C(CC)COC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000823878135 1449962930 /nfs/dbraw/zinc/96/29/30/1449962930.db2.gz QGYWTMNDIPXMRJ-UHFFFAOYSA-N -1 0 347.444 2.788 20 30 EFEDRM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C)OCC ZINC000823874136 1449990448 /nfs/dbraw/zinc/99/04/48/1449990448.db2.gz TYTNKASOZHINLN-HNNXBMFYSA-N -1 0 330.388 2.590 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C1(CC)CC ZINC000821351512 1450135638 /nfs/dbraw/zinc/13/56/38/1450135638.db2.gz RSGPVZPDAYZLOS-LLVKDONJSA-N -1 0 333.396 2.546 20 30 EFEDRM N#Cc1ccc(SCCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822833328 1450153977 /nfs/dbraw/zinc/15/39/77/1450153977.db2.gz OEEHHABXDLENEK-UHFFFAOYSA-N -1 0 338.396 2.695 20 30 EFEDRM C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495236 1450411781 /nfs/dbraw/zinc/41/17/81/1450411781.db2.gz FBEOPLYBVRCGTP-CYBMUJFWSA-N -1 0 347.378 2.975 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C#N)c2n1CCC2 ZINC000826234265 1450442079 /nfs/dbraw/zinc/44/20/79/1450442079.db2.gz OHLPJARCIBPIHM-HJWRWDBZSA-N -1 0 344.378 2.691 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708762 1450462814 /nfs/dbraw/zinc/46/28/14/1450462814.db2.gz ILRWLXHKMLXPGS-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049514987 712915278 /nfs/dbraw/zinc/91/52/78/712915278.db2.gz IAQKPUYRPFXCNL-UHFFFAOYSA-N -1 0 330.818 2.826 20 30 EFEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000042235664 713003887 /nfs/dbraw/zinc/00/38/87/713003887.db2.gz XQGJZTIIWCBDJS-UHFFFAOYSA-N -1 0 340.382 2.934 20 30 EFEDRM C#CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000187231399 713080096 /nfs/dbraw/zinc/08/00/96/713080096.db2.gz YFUCPICVKDBVQV-UHFFFAOYSA-N -1 0 333.347 2.842 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000175784810 713440353 /nfs/dbraw/zinc/44/03/53/713440353.db2.gz WKUUQMOERBARGI-UHFFFAOYSA-N -1 0 347.378 2.869 20 30 EFEDRM O=C([O-])c1cc(NN=C2C(=O)Nc3cc(F)ccc32)ccc1Cl ZINC000013025949 713686566 /nfs/dbraw/zinc/68/65/66/713686566.db2.gz WMAOVKJYSXAONX-UHFFFAOYSA-N -1 0 333.706 2.946 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000048575951 713835020 /nfs/dbraw/zinc/83/50/20/713835020.db2.gz PAFMROUJAYHUBZ-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048577633 713837529 /nfs/dbraw/zinc/83/75/29/713837529.db2.gz CFRCVWJRFHLCSD-UHFFFAOYSA-N -1 0 346.836 2.538 20 30 EFEDRM Cc1ccc(-c2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)co2)cc1 ZINC000255174245 714062329 /nfs/dbraw/zinc/06/23/29/714062329.db2.gz VKKMAUNBMXWGEM-ZPUOCTKUSA-N -1 0 337.331 2.878 20 30 EFEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000048454194 714118028 /nfs/dbraw/zinc/11/80/28/714118028.db2.gz DJTMIHPFGSSZMW-UHFFFAOYSA-N -1 0 332.356 2.975 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2c(cccc2C)c1C ZINC000121186983 714125913 /nfs/dbraw/zinc/12/59/13/714125913.db2.gz RRYYAPJTXGKFFZ-AWEZNQCLSA-N -1 0 328.368 2.525 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050206649 714201414 /nfs/dbraw/zinc/20/14/14/714201414.db2.gz NENRMIGAPOQEEY-QWHCGFSZSA-N -1 0 328.821 2.741 20 30 EFEDRM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1NS(C)(=O)=O ZINC000255216176 714292835 /nfs/dbraw/zinc/29/28/35/714292835.db2.gz ZEFMWTJHDIMODG-UHFFFAOYSA-N -1 0 349.368 2.731 20 30 EFEDRM C#CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000065942955 717981334 /nfs/dbraw/zinc/98/13/34/717981334.db2.gz KXLVSISXGCJJIV-UHFFFAOYSA-N -1 0 336.370 2.747 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892500586 717988561 /nfs/dbraw/zinc/98/85/61/717988561.db2.gz CXEJVRODYYRNBC-VIFPVBQESA-N -1 0 330.718 2.788 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000075799389 714672463 /nfs/dbraw/zinc/67/24/63/714672463.db2.gz GVAUNLWUFSXGLX-UHFFFAOYSA-N -1 0 339.392 2.550 20 30 EFEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc(O)cc2[O-])cs1 ZINC000255378529 714911271 /nfs/dbraw/zinc/91/12/71/714911271.db2.gz KTFJQGYZVVRMLR-DAXSKMNVSA-N -1 0 332.381 2.823 20 30 EFEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000105262373 718019385 /nfs/dbraw/zinc/01/93/85/718019385.db2.gz QLHNNZRKVVKVIV-HNNXBMFYSA-N -1 0 329.400 2.640 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121555692 714993955 /nfs/dbraw/zinc/99/39/55/714993955.db2.gz IHOLEOJZJHZRDW-SECBINFHSA-N -1 0 341.592 2.727 20 30 EFEDRM O=C(CCc1nccs1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000066003397 718023615 /nfs/dbraw/zinc/02/36/15/718023615.db2.gz VBEOCBRBFLROLH-UHFFFAOYSA-N -1 0 328.390 2.701 20 30 EFEDRM COCCCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176181006 715188965 /nfs/dbraw/zinc/18/89/65/715188965.db2.gz SQOVIHLIXKKSCN-UHFFFAOYSA-N -1 0 326.352 2.931 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Br)cs2)C(=O)O1 ZINC000255496018 715355830 /nfs/dbraw/zinc/35/58/30/715355830.db2.gz FTMLDOQJJCIYQQ-DLGQBQFBSA-N -1 0 341.182 2.739 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C)n2)C1=O ZINC000124801702 715475679 /nfs/dbraw/zinc/47/56/79/715475679.db2.gz XRVYKSXDIOWHKB-SFHVURJKSA-N -1 0 346.431 2.706 20 30 EFEDRM CSCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000125457794 715673341 /nfs/dbraw/zinc/67/33/41/715673341.db2.gz PZKYXWSZDCQOBT-INIZCTEOSA-N -1 0 348.468 2.803 20 30 EFEDRM CCCc1sc(C([O-])=C(C#N)C(=O)NCCCOC)cc1CC ZINC000125011434 715804999 /nfs/dbraw/zinc/80/49/99/715804999.db2.gz KCWPFUWJMUEMFW-ZDUSSCGKSA-N -1 0 336.457 2.738 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000909366957 715819319 /nfs/dbraw/zinc/81/93/19/715819319.db2.gz AMGNQUQXCFMCEY-CQSZACIVSA-N -1 0 335.400 2.938 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000121979946 715874246 /nfs/dbraw/zinc/87/42/46/715874246.db2.gz SFLYXTJOLITJNX-OAHLLOKOSA-N -1 0 336.395 2.620 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000125036065 715878162 /nfs/dbraw/zinc/87/81/62/715878162.db2.gz LFFWPVBGTHNXOY-CYBMUJFWSA-N -1 0 344.342 2.561 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)F)cc2)C(=O)O1 ZINC000255563384 715948655 /nfs/dbraw/zinc/94/86/55/715948655.db2.gz FSGGLYGYYUQAIN-OUOZUETKSA-N -1 0 336.290 2.559 20 30 EFEDRM Cc1ccc(N2CC[C@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000125192124 715990647 /nfs/dbraw/zinc/99/06/47/715990647.db2.gz TYPGXJBXSBEFSR-ZVCOJXFSSA-N -1 0 339.351 2.833 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nc(C3CCCC3)no2)c1 ZINC000161539027 716005049 /nfs/dbraw/zinc/00/50/49/716005049.db2.gz LYTDBLFAIUYGLJ-UHFFFAOYSA-N -1 0 326.356 2.876 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1O ZINC000977385753 716149639 /nfs/dbraw/zinc/14/96/39/716149639.db2.gz IAWFLRUZSLTPJD-AWEZNQCLSA-N -1 0 330.428 2.667 20 30 EFEDRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052368563 716155524 /nfs/dbraw/zinc/15/55/24/716155524.db2.gz ZGBIOHHHFZUAMH-UHFFFAOYSA-N -1 0 345.333 2.584 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000157971578 716398694 /nfs/dbraw/zinc/39/86/94/716398694.db2.gz XCLNCNOCLNBRAB-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNCCC(F)(F)F)cc1 ZINC000794551143 723508377 /nfs/dbraw/zinc/50/83/77/723508377.db2.gz AOGZJSCFDYNZED-UHFFFAOYSA-N -1 0 326.221 2.619 20 30 EFEDRM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052772461 716584215 /nfs/dbraw/zinc/58/42/15/716584215.db2.gz GAQJEGDNUAYBFQ-ZDUSSCGKSA-N -1 0 340.445 2.874 20 30 EFEDRM O=C(COc1ccc2ccccc2c1)[N-]S(=O)(=O)N1CCCC1 ZINC000052772011 716584317 /nfs/dbraw/zinc/58/43/17/716584317.db2.gz HLRJQYWUQBEFAU-UHFFFAOYSA-N -1 0 334.397 2.516 20 30 EFEDRM O=C(CCCOc1ccc(F)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794766 716610840 /nfs/dbraw/zinc/61/08/40/716610840.db2.gz JVCXTHRBZYSNJI-UHFFFAOYSA-N -1 0 344.408 2.672 20 30 EFEDRM CC(C)(C)c1noc(CCCC(=O)Nc2cc(C#N)ccc2[O-])n1 ZINC000176821054 716699417 /nfs/dbraw/zinc/69/94/17/716699417.db2.gz URSOVJNHLHVHQW-UHFFFAOYSA-N -1 0 328.372 2.906 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000176825598 716716072 /nfs/dbraw/zinc/71/60/72/716716072.db2.gz CHWYUDKMXTVDRG-UHFFFAOYSA-N -1 0 349.306 2.610 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1 ZINC000125696414 716726784 /nfs/dbraw/zinc/72/67/84/716726784.db2.gz YUFXUWSCJIBBCW-GYCJOSAFSA-N -1 0 348.468 2.584 20 30 EFEDRM CCOC(=O)C[C@@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255602079 716962504 /nfs/dbraw/zinc/96/25/04/716962504.db2.gz JOIOCYUDWDNCRK-KYZBGHIMSA-N -1 0 328.752 2.962 20 30 EFEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000892420089 717242054 /nfs/dbraw/zinc/24/20/54/717242054.db2.gz NCTLLSVYVLXYEA-AAEUAGOBSA-N -1 0 333.395 2.911 20 30 EFEDRM COC1(C/N=C\c2cc(Br)ccc2O)CCOCC1 ZINC000255659311 717361585 /nfs/dbraw/zinc/36/15/85/717361585.db2.gz JZXDQOJISKWBTO-SXGWCWSVSA-N -1 0 328.206 2.769 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000179306014 717382160 /nfs/dbraw/zinc/38/21/60/717382160.db2.gz NREKOAWIEBEHOU-QGZVFWFLSA-N -1 0 340.404 2.557 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cncc2Cl)s1 ZINC000892457861 717618221 /nfs/dbraw/zinc/61/82/21/717618221.db2.gz PXSYXUJDVQFAOW-SNVBAGLBSA-N -1 0 333.800 2.895 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2 ZINC000892465330 717686699 /nfs/dbraw/zinc/68/66/99/717686699.db2.gz QOFVANLPKVPMLY-HNNXBMFYSA-N -1 0 343.427 2.534 20 30 EFEDRM C#Cc1cccc(NC(=O)CNC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000177085267 717717406 /nfs/dbraw/zinc/71/74/06/717717406.db2.gz SPILLEPKTXLTSL-UHFFFAOYSA-N -1 0 346.745 2.535 20 30 EFEDRM COc1ccc(C(=O)NC(=O)CSc2cccc(C#N)c2)cc1 ZINC000177101152 717773011 /nfs/dbraw/zinc/77/30/11/717773011.db2.gz YQMCCMRKULCHIB-UHFFFAOYSA-N -1 0 326.377 2.616 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC000179733181 717859739 /nfs/dbraw/zinc/85/97/39/717859739.db2.gz HSNLRLLKDOMQOL-MRXNPFEDSA-N -1 0 343.289 2.674 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(OCC2CC2)cc1 ZINC000066520057 718241705 /nfs/dbraw/zinc/24/17/05/718241705.db2.gz RINBEAKZUIODHY-UHFFFAOYSA-N -1 0 338.429 2.511 20 30 EFEDRM CC(C)Oc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000066519989 718241775 /nfs/dbraw/zinc/24/17/75/718241775.db2.gz OLAYWJWAIYOSAH-UHFFFAOYSA-N -1 0 346.836 2.772 20 30 EFEDRM O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1F ZINC000255905332 718343118 /nfs/dbraw/zinc/34/31/18/718343118.db2.gz OSGDWBNKFUQMFF-VAODSVERSA-N -1 0 343.314 2.664 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccn(CC(C)C)n2)n1 ZINC000892624172 718352186 /nfs/dbraw/zinc/35/21/86/718352186.db2.gz KJOKZXAAXNAANZ-NSHDSACASA-N -1 0 346.412 2.662 20 30 EFEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C ZINC000180736183 718371415 /nfs/dbraw/zinc/37/14/15/718371415.db2.gz CYIUREBJSTYGOW-QGZVFWFLSA-N -1 0 336.391 2.951 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000892652174 718377308 /nfs/dbraw/zinc/37/73/08/718377308.db2.gz VWELJIFRAKTRLU-UHFFFAOYSA-N -1 0 336.388 2.781 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(OC)c(C)c2C)CC1 ZINC000892699564 718791854 /nfs/dbraw/zinc/79/18/54/718791854.db2.gz MRPHBFWVVMXDCZ-UHFFFAOYSA-N -1 0 337.441 2.863 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1Br ZINC000066741718 718989291 /nfs/dbraw/zinc/98/92/91/718989291.db2.gz GMYBILVPYDZCMU-CBAPKCEASA-N -1 0 348.218 2.759 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3cccc(F)c3o2)cc1 ZINC000122317179 719104010 /nfs/dbraw/zinc/10/40/10/719104010.db2.gz CUXDYNHBGGFXDN-UHFFFAOYSA-N -1 0 344.323 2.562 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000892869633 719246892 /nfs/dbraw/zinc/24/68/92/719246892.db2.gz TUFFOXMHMWWLLH-UHFFFAOYSA-N -1 0 329.368 2.657 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000892924103 719278366 /nfs/dbraw/zinc/27/83/66/719278366.db2.gz XPBBAGOFHCUQQH-UHFFFAOYSA-N -1 0 325.430 2.881 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000892999495 719423050 /nfs/dbraw/zinc/42/30/50/719423050.db2.gz UVITZPYRKJLKNZ-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM CC(C)(C)n1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C1CC1 ZINC000119919050 719483147 /nfs/dbraw/zinc/48/31/47/719483147.db2.gz SBEXKKXKSRWLFQ-CQSZACIVSA-N -1 0 342.443 2.897 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000893061059 719551336 /nfs/dbraw/zinc/55/13/36/719551336.db2.gz BVSAVQJQALPFII-UHFFFAOYSA-N -1 0 349.239 2.940 20 30 EFEDRM C[C@@H](CSc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122633979 719568479 /nfs/dbraw/zinc/56/84/79/719568479.db2.gz HULUGOPFZGHACH-GXTWGEPZSA-N -1 0 327.409 2.740 20 30 EFEDRM C[C@H](CSc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122634658 719575296 /nfs/dbraw/zinc/57/52/96/719575296.db2.gz HULUGOPFZGHACH-OCCSQVGLSA-N -1 0 327.409 2.740 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000261601355 719714244 /nfs/dbraw/zinc/71/42/44/719714244.db2.gz BHEPOUWPHUXRBH-ZFWWWQNUSA-N -1 0 330.384 2.571 20 30 EFEDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000016094796 724616496 /nfs/dbraw/zinc/61/64/96/724616496.db2.gz CFKPEQHQUPMYBB-UHFFFAOYSA-N -1 0 344.392 2.926 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120237197 720052352 /nfs/dbraw/zinc/05/23/52/720052352.db2.gz PUAUQSVJEPKBPL-LBPRGKRZSA-N -1 0 343.383 2.894 20 30 EFEDRM N#Cc1ccc(CN2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000893901749 720146593 /nfs/dbraw/zinc/14/65/93/720146593.db2.gz DIIUETGDDKKQEF-UHFFFAOYSA-N -1 0 343.377 2.860 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183132789 720219065 /nfs/dbraw/zinc/21/90/65/720219065.db2.gz WUBQNNHPYBLSQW-GFCCVEGCSA-N -1 0 334.401 2.556 20 30 EFEDRM CCOC(=O)N1CCC([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000189352366 720602185 /nfs/dbraw/zinc/60/21/85/720602185.db2.gz JJEGXFLEGMPGFG-HWQJWEFDSA-N -1 0 349.387 2.976 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000254853152 721022455 /nfs/dbraw/zinc/02/24/55/721022455.db2.gz FQPZUNLCWOMPDV-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000129115445 721071587 /nfs/dbraw/zinc/07/15/87/721071587.db2.gz KFPOQPCSFXFUMC-HNNXBMFYSA-N -1 0 342.326 2.599 20 30 EFEDRM Cn1c(=O)c2ccc(C(=O)OCC(C)(C)CCC#N)cc2[n-]c1=S ZINC000195097584 721099304 /nfs/dbraw/zinc/09/93/04/721099304.db2.gz PZEHSFKXVUGKGR-UHFFFAOYSA-N -1 0 345.424 2.709 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000124172702 721382442 /nfs/dbraw/zinc/38/24/42/721382442.db2.gz AUOCJYWXCTZZOC-CYBMUJFWSA-N -1 0 342.317 2.571 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000124252375 721445544 /nfs/dbraw/zinc/44/55/44/721445544.db2.gz LDAVXVZVBNKJIL-CYBMUJFWSA-N -1 0 330.409 2.767 20 30 EFEDRM COc1cc(CC(=O)[N-]S(=O)(=O)c2cccs2)ccc1C ZINC000048448001 722123520 /nfs/dbraw/zinc/12/35/20/722123520.db2.gz BCBZHHLFXQBCAV-UHFFFAOYSA-N -1 0 325.411 2.953 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccc(C)o1 ZINC000917506992 728751406 /nfs/dbraw/zinc/75/14/06/728751406.db2.gz LXAYNCLQHJWLHR-LBPRGKRZSA-N -1 0 342.351 2.915 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1csc([N+](=O)[O-])c1 ZINC000917541086 728754540 /nfs/dbraw/zinc/75/45/40/728754540.db2.gz MWKDYGFRAZOOON-UHFFFAOYSA-N -1 0 332.366 2.537 20 30 EFEDRM C[C@]12CC3CC(C(=O)[N-]S(=O)(=O)CCCC#N)(C1)C[C@@](C)(C3)C2 ZINC000181271050 728809013 /nfs/dbraw/zinc/80/90/13/728809013.db2.gz SNSPWZLPJISKQU-JOHJCKIYSA-N -1 0 338.473 2.733 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1 ZINC000181287806 728828310 /nfs/dbraw/zinc/82/83/10/728828310.db2.gz NIDWTLKNGLVCDH-UHFFFAOYSA-N -1 0 328.393 2.717 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000151560701 723515474 /nfs/dbraw/zinc/51/54/74/723515474.db2.gz SPXFFSPKIQHHDF-UHFFFAOYSA-N -1 0 337.441 2.885 20 30 EFEDRM N#CCCN(CCC#N)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194208 723841989 /nfs/dbraw/zinc/84/19/89/723841989.db2.gz JNYWHXJVIBZUHT-UHFFFAOYSA-N -1 0 349.390 2.958 20 30 EFEDRM CCCCCCCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000727186244 723852347 /nfs/dbraw/zinc/85/23/47/723852347.db2.gz CPSMGIZXACWWNJ-UHFFFAOYSA-N -1 0 338.429 2.912 20 30 EFEDRM C=CC(C)(C)CC(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000909570609 723921084 /nfs/dbraw/zinc/92/10/84/723921084.db2.gz KUEVMDHWAYYLLP-UHFFFAOYSA-N -1 0 327.384 2.789 20 30 EFEDRM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC000130897331 728864726 /nfs/dbraw/zinc/86/47/26/728864726.db2.gz UQARFGPKHZREFY-CYBMUJFWSA-N -1 0 343.408 2.666 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccnc(Cl)c2)n1 ZINC000025975068 724126188 /nfs/dbraw/zinc/12/61/88/724126188.db2.gz PMPYWKCJMDXXTQ-SNVBAGLBSA-N -1 0 335.772 2.533 20 30 EFEDRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)cc2c1 ZINC000918482746 728881290 /nfs/dbraw/zinc/88/12/90/728881290.db2.gz CFGYXNDCATVNQU-UHFFFAOYSA-N -1 0 340.360 2.732 20 30 EFEDRM N#CC(=C([O-])C=C1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000918485830 728882300 /nfs/dbraw/zinc/88/23/00/728882300.db2.gz BQQMORDHUBSMAV-AWEZNQCLSA-N -1 0 334.383 2.874 20 30 EFEDRM N#CC(=C([O-])C=C1CCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000918485831 728882310 /nfs/dbraw/zinc/88/23/10/728882310.db2.gz BQQMORDHUBSMAV-CQSZACIVSA-N -1 0 334.383 2.874 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000121761755 724893145 /nfs/dbraw/zinc/89/31/45/724893145.db2.gz UMFORPAQIRXSQZ-OAHLLOKOSA-N -1 0 331.372 2.922 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc(OC)c1C ZINC000127364608 724974539 /nfs/dbraw/zinc/97/45/39/724974539.db2.gz PEPOMQVLRNTABU-HNNXBMFYSA-N -1 0 344.411 2.784 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)c(C)c2)n1 ZINC000728995831 724976408 /nfs/dbraw/zinc/97/64/08/724976408.db2.gz JLXQMDMZLXKOHQ-LBPRGKRZSA-N -1 0 332.356 2.932 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c(NC(=O)CC(C)(C)C(=O)[O-])sc2C1 ZINC000840730086 725011927 /nfs/dbraw/zinc/01/19/27/725011927.db2.gz PFOSZJCPHIXJJD-VIFPVBQESA-N -1 0 336.413 2.563 20 30 EFEDRM CC(=NNCC(C)(C)CO)c1cc(Br)cc(F)c1[O-] ZINC000799116583 725425194 /nfs/dbraw/zinc/42/51/94/725425194.db2.gz JLPNSJADOFLYDL-UHFFFAOYSA-N -1 0 333.201 2.626 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCCCOc2ccccc2)c1)C(=O)[O-] ZINC000729147452 725460213 /nfs/dbraw/zinc/46/02/13/725460213.db2.gz CBWGIYNSPYANRN-HNNXBMFYSA-N -1 0 342.395 2.931 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(OC)c1 ZINC000263278122 725644277 /nfs/dbraw/zinc/64/42/77/725644277.db2.gz WZHPMLMFWQWLJA-ZFWWWQNUSA-N -1 0 347.411 2.514 20 30 EFEDRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000151894187 725858369 /nfs/dbraw/zinc/85/83/69/725858369.db2.gz MPUMTRYCNDSEPH-AWEZNQCLSA-N -1 0 334.441 2.970 20 30 EFEDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000730404176 726123680 /nfs/dbraw/zinc/12/36/80/726123680.db2.gz SFZAIOPUTJNONC-YFHOEESVSA-N -1 0 326.805 2.763 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000052741308 726125323 /nfs/dbraw/zinc/12/53/23/726125323.db2.gz YVEKNPPHGGJQNC-UHFFFAOYSA-N -1 0 347.421 2.865 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)OCC3(CC#N)CC3)cc2[n-]c1=S ZINC000174749079 726312516 /nfs/dbraw/zinc/31/25/16/726312516.db2.gz WYTVEBSTDFBYHH-UHFFFAOYSA-N -1 0 343.408 2.556 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000054488148 726350100 /nfs/dbraw/zinc/35/01/00/726350100.db2.gz GVHSLALYTSIMHI-FNORWQNLSA-N -1 0 336.325 2.855 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000054491912 726355664 /nfs/dbraw/zinc/35/56/64/726355664.db2.gz GTDIWUKJRJRFQT-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054492497 726358629 /nfs/dbraw/zinc/35/86/29/726358629.db2.gz OQRDXCIGPDXYGE-VIFPVBQESA-N -1 0 328.321 2.735 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000054494872 726365662 /nfs/dbraw/zinc/36/56/62/726365662.db2.gz IOIHZIQPSXBASV-YWEYNIOJSA-N -1 0 328.321 2.735 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2ccc(F)cn2)cc1 ZINC000731317714 726840921 /nfs/dbraw/zinc/84/09/21/726840921.db2.gz DLMNEVKUHOWYHX-UHFFFAOYSA-N -1 0 325.246 2.723 20 30 EFEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N([C@@H](C)C#N)C1CC1 ZINC000907039497 726852456 /nfs/dbraw/zinc/85/24/56/726852456.db2.gz SERKKPCKXDPUOU-NSHDSACASA-N -1 0 336.413 2.573 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nn1C(C)(C)C ZINC000193435304 726918958 /nfs/dbraw/zinc/91/89/58/726918958.db2.gz KHUUUUKPMSJGKI-CQSZACIVSA-N -1 0 330.432 2.718 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000731769069 726931606 /nfs/dbraw/zinc/93/16/06/726931606.db2.gz WPWWWDCTEGEHEX-CQSZACIVSA-N -1 0 342.362 2.942 20 30 EFEDRM C=CC1(CC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)CCCCC1 ZINC000907710165 726997703 /nfs/dbraw/zinc/99/77/03/726997703.db2.gz JOKBHRZJOJAVEH-UHFFFAOYSA-N -1 0 346.431 2.666 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2C(C)C)n1 ZINC000732499203 727127519 /nfs/dbraw/zinc/12/75/19/727127519.db2.gz MDLCWKMWZLTLGJ-SECBINFHSA-N -1 0 333.369 2.921 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908355685 727166403 /nfs/dbraw/zinc/16/64/03/727166403.db2.gz VEINLTRVOMPFPT-AWEZNQCLSA-N -1 0 344.411 2.867 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908406996 727179783 /nfs/dbraw/zinc/17/97/83/727179783.db2.gz FCHUUGVACZEVCC-ZDUSSCGKSA-N -1 0 345.317 2.930 20 30 EFEDRM C=C[C@@H](CC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C)c1ccccc1 ZINC000908429602 727184758 /nfs/dbraw/zinc/18/47/58/727184758.db2.gz BVDIVZARCGXZNW-KGLIPLIRSA-N -1 0 339.395 2.672 20 30 EFEDRM COc1cc2nc(N=Cc3cc([N+](=O)[O-])ccc3[O-])[nH]c2cc1OC ZINC000732713652 727195038 /nfs/dbraw/zinc/19/50/38/727195038.db2.gz JRLVARORNBRRKN-UHFFFAOYSA-N -1 0 342.311 2.945 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)OCC ZINC000908594152 727221586 /nfs/dbraw/zinc/22/15/86/727221586.db2.gz QGGTXWVZWCNVQH-HOTGVXAUSA-N -1 0 335.400 2.699 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)[O-] ZINC000908623618 727227292 /nfs/dbraw/zinc/22/72/92/727227292.db2.gz WYMWEYZYOKGCMN-CYBMUJFWSA-N -1 0 335.791 2.538 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000908623384 727227397 /nfs/dbraw/zinc/22/73/97/727227397.db2.gz PYSOVODFMLSIJK-GFCCVEGCSA-N -1 0 329.381 2.772 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)[O-] ZINC000908618105 727232388 /nfs/dbraw/zinc/23/23/88/727232388.db2.gz JXLHSMLKDDGPHQ-CQSZACIVSA-N -1 0 349.818 2.928 20 30 EFEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908646768 727234180 /nfs/dbraw/zinc/23/41/80/727234180.db2.gz QPGNUBDSVMMKNW-ZDUSSCGKSA-N -1 0 342.317 2.934 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)C(=O)[O-] ZINC000908686411 727241787 /nfs/dbraw/zinc/24/17/87/727241787.db2.gz ROHFQSCJDPDXSY-QMMMGPOBSA-N -1 0 337.323 2.789 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnc(C)s2)n1 ZINC000732865497 727262991 /nfs/dbraw/zinc/26/29/91/727262991.db2.gz AETGHBOCOPAFQY-VSQXVHSFSA-N -1 0 347.421 2.649 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)c1ccnc2c(C(=O)[O-])cnn21 ZINC000908798320 727264353 /nfs/dbraw/zinc/26/43/53/727264353.db2.gz AQTYCHXKGBBNLJ-UHFFFAOYSA-N -1 0 342.399 2.636 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1 ZINC000732902654 727270280 /nfs/dbraw/zinc/27/02/80/727270280.db2.gz NWPSYWXSUCQCPE-ZWNMCFTASA-N -1 0 347.421 2.974 20 30 EFEDRM C#CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908872342 727274688 /nfs/dbraw/zinc/27/46/88/727274688.db2.gz NHKZRTIAKPFTEP-CYBMUJFWSA-N -1 0 338.201 2.885 20 30 EFEDRM C#CCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000908909412 727286908 /nfs/dbraw/zinc/28/69/08/727286908.db2.gz YJXTWZCVUFPQNE-UHFFFAOYSA-N -1 0 327.302 2.922 20 30 EFEDRM C#CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909027501 727306784 /nfs/dbraw/zinc/30/67/84/727306784.db2.gz LSDJAJVPPGWHFK-LBPRGKRZSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000909059338 727315942 /nfs/dbraw/zinc/31/59/42/727315942.db2.gz LLTYYGYHXMFQFA-NSHDSACASA-N -1 0 346.305 2.646 20 30 EFEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909122634 727326245 /nfs/dbraw/zinc/32/62/45/727326245.db2.gz CXDLNWYRHHRDMV-ZDUSSCGKSA-N -1 0 326.780 2.740 20 30 EFEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000909122619 727326259 /nfs/dbraw/zinc/32/62/59/727326259.db2.gz CMAABFQSQZGOHU-LBPRGKRZSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](c1ccccc1)C(C)(C)CO)C(=O)[O-] ZINC000909162491 727339799 /nfs/dbraw/zinc/33/97/99/727339799.db2.gz WAFSMGHSNDNZCD-CVEARBPZSA-N -1 0 348.443 2.507 20 30 EFEDRM Cc1nnc(NN=Cc2c(Cl)cccc2OC(F)F)[n-]c1=O ZINC000732923833 727340404 /nfs/dbraw/zinc/34/04/04/727340404.db2.gz KQDRMLIACURNAS-UHFFFAOYSA-N -1 0 329.694 2.586 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccncc1OCCC(C)(C)C ZINC000909189111 727341765 /nfs/dbraw/zinc/34/17/65/727341765.db2.gz WCXAMAHFBUAZBU-UHFFFAOYSA-N -1 0 349.431 2.679 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000129266448 727350080 /nfs/dbraw/zinc/35/00/80/727350080.db2.gz NZBRTBJUVZXOAN-GFCCVEGCSA-N -1 0 329.356 2.550 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCCCC1(C#N)CCC1 ZINC000909233573 727350284 /nfs/dbraw/zinc/35/02/84/727350284.db2.gz OXAMLOWJXPAZIZ-UHFFFAOYSA-N -1 0 334.338 2.851 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000909265546 727355172 /nfs/dbraw/zinc/35/51/72/727355172.db2.gz ZSWXEYDNCRWDDC-WMZOPIPTSA-N -1 0 347.411 2.528 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC000909716323 727365918 /nfs/dbraw/zinc/36/59/18/727365918.db2.gz QJHIXVDOAVHUMO-JTQLQIEISA-N -1 0 341.289 2.502 20 30 EFEDRM C=CCC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909712390 727366103 /nfs/dbraw/zinc/36/61/03/727366103.db2.gz JJFZNCZQUFARLV-CHWSQXEVSA-N -1 0 346.210 2.953 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000909713136 727366289 /nfs/dbraw/zinc/36/62/89/727366289.db2.gz FITYFFLHNXFEHJ-JTQLQIEISA-N -1 0 341.289 2.502 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000909712927 727366294 /nfs/dbraw/zinc/36/62/94/727366294.db2.gz OGIHUUGOLAVOCH-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000909712926 727366322 /nfs/dbraw/zinc/36/63/22/727366322.db2.gz OGIHUUGOLAVOCH-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)[O-] ZINC000909712951 727366372 /nfs/dbraw/zinc/36/63/72/727366372.db2.gz OVTIMWDCVRNUCW-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(Cl)n2)n1 ZINC000909690365 727367273 /nfs/dbraw/zinc/36/72/73/727367273.db2.gz CONMQDCAEVTTDN-JTQLQIEISA-N -1 0 349.799 2.842 20 30 EFEDRM C=C1CCC(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000909743922 727372381 /nfs/dbraw/zinc/37/23/81/727372381.db2.gz LMKOBFCQROFOSJ-LBPRGKRZSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909767844 727373280 /nfs/dbraw/zinc/37/32/80/727373280.db2.gz QVYZRJBMFWCTOF-MFKMUULPSA-N -1 0 345.317 2.738 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC000909768752 727373416 /nfs/dbraw/zinc/37/34/16/727373416.db2.gz WXAYVUHUJAFBDK-LBPRGKRZSA-N -1 0 336.775 2.515 20 30 EFEDRM C=CC[C@@H]1N(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCCC1(C)C ZINC000910020881 727403858 /nfs/dbraw/zinc/40/38/58/727403858.db2.gz DRBXCCISXZDTDC-AWEZNQCLSA-N -1 0 342.399 2.634 20 30 EFEDRM C=CC[C@@H]1N(C(=O)CCCn2ccc(C(=O)[O-])n2)CCCC1(C)C ZINC000910021515 727403958 /nfs/dbraw/zinc/40/39/58/727403958.db2.gz ITSROJFBBWLHFX-HNNXBMFYSA-N -1 0 333.432 2.955 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910053514 727406083 /nfs/dbraw/zinc/40/60/83/727406083.db2.gz AUSMPSMWURBMLJ-KJJQSCHISA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000910053393 727406099 /nfs/dbraw/zinc/40/60/99/727406099.db2.gz SPMQQFBJSJVTGP-AWEZNQCLSA-N -1 0 329.352 2.564 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910053512 727406111 /nfs/dbraw/zinc/40/61/11/727406111.db2.gz AUSMPSMWURBMLJ-CHOZFAJLSA-N -1 0 325.286 2.701 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233596 727420768 /nfs/dbraw/zinc/42/07/68/727420768.db2.gz OKVODORZQPOUIJ-APPDUMDISA-N -1 0 339.363 2.845 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000910291807 727430806 /nfs/dbraw/zinc/43/08/06/727430806.db2.gz BFYUGAVAXNGLDA-GFCCVEGCSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC000910294647 727431100 /nfs/dbraw/zinc/43/11/00/727431100.db2.gz RGUNILXGAPIDIU-QMMMGPOBSA-N -1 0 343.355 2.722 20 30 EFEDRM C=CCCC[C@@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1ccccc1 ZINC000910348972 727436011 /nfs/dbraw/zinc/43/60/11/727436011.db2.gz NCSYHEOIRDKODG-BRWVUGGUSA-N -1 0 331.412 2.732 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)OCC ZINC000910383799 727437855 /nfs/dbraw/zinc/43/78/55/727437855.db2.gz UXTAOXJZWCIGRI-KRWDZBQOSA-N -1 0 347.411 2.649 20 30 EFEDRM C#CCC1(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CCCCC1 ZINC000910484721 727445718 /nfs/dbraw/zinc/44/57/18/727445718.db2.gz HBHZSNYYFKQUAE-MRXNPFEDSA-N -1 0 329.396 2.609 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])OCC ZINC000910513493 727446775 /nfs/dbraw/zinc/44/67/75/727446775.db2.gz PJOJIEKJCPUBCJ-QAPCUYQASA-N -1 0 337.391 2.699 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2nnc3n2CCCC3)c1[O-] ZINC000044011808 727451010 /nfs/dbraw/zinc/45/10/10/727451010.db2.gz RUHRNEUIOIFMAY-FRKPEAEDSA-N -1 0 335.751 2.501 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910578432 727451441 /nfs/dbraw/zinc/45/14/41/727451441.db2.gz GPZMJDBDCPQRSV-OAHLLOKOSA-N -1 0 331.368 2.528 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(=O)[O-] ZINC000910911772 727471440 /nfs/dbraw/zinc/47/14/40/727471440.db2.gz IBKQCNWXXKILCA-OAHLLOKOSA-N -1 0 344.415 2.627 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-n2cc(C)cn2)cc1)C(=O)[O-] ZINC000910914729 727471751 /nfs/dbraw/zinc/47/17/51/727471751.db2.gz NSJYOFLABRWFJY-INIZCTEOSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)[O-] ZINC000910915363 727471812 /nfs/dbraw/zinc/47/18/12/727471812.db2.gz YEEVWHNQRQMZBC-HNNXBMFYSA-N -1 0 344.411 2.599 20 30 EFEDRM C=CCCC[C@H](NC(=O)/C=C/c1ccc(O)c(OCC)c1)C(=O)[O-] ZINC000910915985 727471932 /nfs/dbraw/zinc/47/19/32/727471932.db2.gz SBFOORLUYPOTCK-MARXPDLDSA-N -1 0 333.384 2.730 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)[O-] ZINC000910916840 727472014 /nfs/dbraw/zinc/47/20/14/727472014.db2.gz IZEDJPUSRKPMPM-OAHLLOKOSA-N -1 0 327.384 2.626 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000910917171 727472047 /nfs/dbraw/zinc/47/20/47/727472047.db2.gz NAYQCWPXBMYFHK-HUUCEWRRSA-N -1 0 338.835 2.868 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000910919535 727472150 /nfs/dbraw/zinc/47/21/50/727472150.db2.gz WYCIBDOZQZXQNR-CYBMUJFWSA-N -1 0 327.327 2.756 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cn1nc(C(F)F)cc1C1CC1)C(=O)[O-] ZINC000910924259 727472325 /nfs/dbraw/zinc/47/23/25/727472325.db2.gz YJDFAQGYFKIVEX-NSHDSACASA-N -1 0 341.358 2.624 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1cc(C(F)(F)F)ccn1)C(=O)[O-] ZINC000910925958 727472442 /nfs/dbraw/zinc/47/24/42/727472442.db2.gz PBDLOSQPAGUGRY-GFCCVEGCSA-N -1 0 330.306 2.569 20 30 EFEDRM C=CCOCC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910958374 727472971 /nfs/dbraw/zinc/47/29/71/727472971.db2.gz RCVLGVXWAFTMPX-UHFFFAOYSA-N -1 0 342.395 2.775 20 30 EFEDRM N#CCc1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000911037393 727488450 /nfs/dbraw/zinc/48/84/50/727488450.db2.gz YYWXZERKCAPVTR-ZDUSSCGKSA-N -1 0 341.392 2.537 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000129361197 727578910 /nfs/dbraw/zinc/57/89/10/727578910.db2.gz OTSOCNWOIODAKC-QGZVFWFLSA-N -1 0 339.370 2.834 20 30 EFEDRM C=CCc1cc(C(=O)N(CCC)[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC000911709945 727585912 /nfs/dbraw/zinc/58/59/12/727585912.db2.gz BLILOHZDWDAZMN-GFCCVEGCSA-N -1 0 335.400 2.758 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000915923072 727640237 /nfs/dbraw/zinc/64/02/37/727640237.db2.gz BFVCCPHDEXCHGE-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000915923104 727640307 /nfs/dbraw/zinc/64/03/07/727640307.db2.gz CATPZJHPBBXPGZ-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000915945782 727641756 /nfs/dbraw/zinc/64/17/56/727641756.db2.gz WDWABFUNIMLSAG-UHFFFAOYSA-N -1 0 327.266 2.620 20 30 EFEDRM CCOc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000915956952 727642516 /nfs/dbraw/zinc/64/25/16/727642516.db2.gz JKRKOJRRIZDCJJ-UHFFFAOYSA-N -1 0 325.393 2.966 20 30 EFEDRM O=C([O-])c1cc(NN=C2C(=O)Nc3cc(O)ccc32)ccc1Cl ZINC000915939612 727643020 /nfs/dbraw/zinc/64/30/20/727643020.db2.gz URUQVOMYGVOTSM-UHFFFAOYSA-N -1 0 331.715 2.512 20 30 EFEDRM Cc1ncc(CO)c(C=NNCc2ccc(C(F)(F)F)cc2)c1O ZINC000915972894 727644158 /nfs/dbraw/zinc/64/41/58/727644158.db2.gz WSSDNKBYDDYDDA-UHFFFAOYSA-N -1 0 339.317 2.730 20 30 EFEDRM COc1cccc2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)oc21 ZINC000916136889 727659984 /nfs/dbraw/zinc/65/99/84/727659984.db2.gz BXVHBQPZLGBXHT-FYCOFBDGSA-N -1 0 326.304 2.670 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cccc(O)c2)ccc1OCC(=O)[O-] ZINC000916155748 727661495 /nfs/dbraw/zinc/66/14/95/727661495.db2.gz XRVWADNHFALQQW-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000916255186 727669767 /nfs/dbraw/zinc/66/97/67/727669767.db2.gz IJEZKJYIVXXWJB-UHFFFAOYSA-N -1 0 345.311 2.756 20 30 EFEDRM COc1cc(C=NNc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000916249450 727671276 /nfs/dbraw/zinc/67/12/76/727671276.db2.gz ODVDYVQEAKKIKT-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM CN(N=Cc1ccccc1C(=O)[O-])C(=S)NCc1ccccc1 ZINC000916277020 727672875 /nfs/dbraw/zinc/67/28/75/727672875.db2.gz OUNOGNYIBVUTQN-UHFFFAOYSA-N -1 0 327.409 2.725 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000916759694 727735983 /nfs/dbraw/zinc/73/59/83/727735983.db2.gz DWSJDXGUFPREHL-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000916868611 727740255 /nfs/dbraw/zinc/74/02/55/727740255.db2.gz OXAKEHXTXVNRGA-GFCCVEGCSA-N -1 0 348.399 2.906 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000916917375 727741632 /nfs/dbraw/zinc/74/16/32/727741632.db2.gz JNDZVQDDQJJINT-GOSISDBHSA-N -1 0 335.407 2.778 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(F)cc2)nc1C ZINC000916916861 727741697 /nfs/dbraw/zinc/74/16/97/727741697.db2.gz DBDHYEIGRLSDMD-CYBMUJFWSA-N -1 0 343.383 2.882 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000916917176 727741700 /nfs/dbraw/zinc/74/17/00/727741700.db2.gz AOBIUBVEYVWCGF-SFHVURJKSA-N -1 0 334.375 2.890 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCCC(C)C)c(OC)c1 ZINC000916918522 727741782 /nfs/dbraw/zinc/74/17/82/727741782.db2.gz NAMXXBRIEFJYMC-OAHLLOKOSA-N -1 0 344.411 2.745 20 30 EFEDRM O=C([O-])COc1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000912825383 727748189 /nfs/dbraw/zinc/74/81/89/727748189.db2.gz WQCFBFXDMLDOGK-UHFFFAOYSA-N -1 0 346.293 2.751 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000917001623 727753769 /nfs/dbraw/zinc/75/37/69/727753769.db2.gz CXJLAYOQUSLNPM-INIZCTEOSA-N -1 0 344.374 2.608 20 30 EFEDRM COC(=O)C[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000151104741 727779265 /nfs/dbraw/zinc/77/92/65/727779265.db2.gz ZFNPABXSXMVXHJ-MFKMUULPSA-N -1 0 326.352 2.567 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(Cn3cncn3)cc2)c1 ZINC000054996648 727894867 /nfs/dbraw/zinc/89/48/67/727894867.db2.gz XHXKRNUHCXSBSE-GIJQJNRQSA-N -1 0 337.339 2.559 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000183106057 727960010 /nfs/dbraw/zinc/96/00/10/727960010.db2.gz HAHOXQDCBGGVRU-JTQLQIEISA-N -1 0 327.296 2.844 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183126817 727968261 /nfs/dbraw/zinc/96/82/61/727968261.db2.gz ZSBICCVHQNCFSR-ZDUSSCGKSA-N -1 0 341.392 2.958 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000165828050 728072226 /nfs/dbraw/zinc/07/22/26/728072226.db2.gz UIGQENGPJAYCPN-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058037883 728130862 /nfs/dbraw/zinc/13/08/62/728130862.db2.gz LDKYGGJDPLBAPP-UHFFFAOYSA-N -1 0 345.424 2.659 20 30 EFEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058037932 728130922 /nfs/dbraw/zinc/13/09/22/728130922.db2.gz ZAGFMNBILBODNH-UHFFFAOYSA-N -1 0 332.381 2.913 20 30 EFEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000157322892 728134990 /nfs/dbraw/zinc/13/49/90/728134990.db2.gz SKSSIIVMOWLAOO-RMKNXTFCSA-N -1 0 336.307 2.777 20 30 EFEDRM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000058063274 728136101 /nfs/dbraw/zinc/13/61/01/728136101.db2.gz ORWZOODHDYSJGO-UHFFFAOYSA-N -1 0 341.820 2.720 20 30 EFEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1F ZINC000058071639 728137116 /nfs/dbraw/zinc/13/71/16/728137116.db2.gz BQLNTLCCMQWOPY-UHFFFAOYSA-N -1 0 329.393 2.996 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cn1 ZINC000058080418 728140521 /nfs/dbraw/zinc/14/05/21/728140521.db2.gz BCJWTBJHMNBBDT-UHFFFAOYSA-N -1 0 326.418 2.836 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21)C1CC1 ZINC000058101840 728143674 /nfs/dbraw/zinc/14/36/74/728143674.db2.gz FOJUTCXUHZESJJ-HJWRWDBZSA-N -1 0 339.804 2.989 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058102786 728143678 /nfs/dbraw/zinc/14/36/78/728143678.db2.gz BHVWVLKFLHYRPC-UHFFFAOYSA-N -1 0 349.799 2.990 20 30 EFEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)s1 ZINC000058151564 728147140 /nfs/dbraw/zinc/14/71/40/728147140.db2.gz LQEDRXLHJDGCAA-UHFFFAOYSA-N -1 0 345.833 2.643 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131027156 728255797 /nfs/dbraw/zinc/25/57/97/728255797.db2.gz OAXGSTVYBHKPER-CYBMUJFWSA-N -1 0 327.365 2.536 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000157985950 728268835 /nfs/dbraw/zinc/26/88/35/728268835.db2.gz LYBRLAJKRGJLBC-UHFFFAOYSA-N -1 0 347.367 2.841 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000046708554 728297649 /nfs/dbraw/zinc/29/76/49/728297649.db2.gz VTHZXIWQRWFQLI-UHFFFAOYSA-N -1 0 327.308 2.982 20 30 EFEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927791 728325749 /nfs/dbraw/zinc/32/57/49/728325749.db2.gz BXSRVEPJCGTFAQ-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1(c2ccccc2)CC1 ZINC000060494795 728370226 /nfs/dbraw/zinc/37/02/26/728370226.db2.gz UYWUIARJKLKSGN-UHFFFAOYSA-N -1 0 346.364 2.972 20 30 EFEDRM O=C(Cc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccccc1F ZINC000076765662 728387982 /nfs/dbraw/zinc/38/79/82/728387982.db2.gz RJCTVJODLFWCTE-UHFFFAOYSA-N -1 0 329.299 2.992 20 30 EFEDRM N#CCc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000060614713 728390171 /nfs/dbraw/zinc/39/01/71/728390171.db2.gz BBNTXIUDJJBHLM-UHFFFAOYSA-N -1 0 336.376 2.530 20 30 EFEDRM CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171407048 728533703 /nfs/dbraw/zinc/53/37/03/728533703.db2.gz HPKVTAMXLLGDIY-UHFFFAOYSA-N -1 0 344.392 2.819 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000171480146 728536456 /nfs/dbraw/zinc/53/64/56/728536456.db2.gz HFKCBYLIQNWDBX-OAHLLOKOSA-N -1 0 342.420 2.947 20 30 EFEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NCCOC)o2)cc1 ZINC000173958581 728642729 /nfs/dbraw/zinc/64/27/29/728642729.db2.gz QEMKUKQIRQORTD-OAHLLOKOSA-N -1 0 340.379 2.594 20 30 EFEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000173955214 728642888 /nfs/dbraw/zinc/64/28/88/728642888.db2.gz MKTJTUIADQQSIW-CYBMUJFWSA-N -1 0 327.409 2.734 20 30 EFEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1F ZINC000173982277 728644290 /nfs/dbraw/zinc/64/42/90/728644290.db2.gz BIGVMFXMZDOYEP-CYBMUJFWSA-N -1 0 347.390 2.657 20 30 EFEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000069546493 728974619 /nfs/dbraw/zinc/97/46/19/728974619.db2.gz LVKQILTWNXQJSY-OAHLLOKOSA-N -1 0 330.365 2.591 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccccc2C)cc1 ZINC000154967100 729015571 /nfs/dbraw/zinc/01/55/71/729015571.db2.gz ZKBDMPNUGSMSAQ-GOSISDBHSA-N -1 0 336.391 2.685 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000919962646 729117629 /nfs/dbraw/zinc/11/76/29/729117629.db2.gz FWOXQMYFVCBUPN-UHFFFAOYSA-N -1 0 345.376 2.723 20 30 EFEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130712077 729171106 /nfs/dbraw/zinc/17/11/06/729171106.db2.gz JOLFUEPMHDMFFX-CYBMUJFWSA-N -1 0 327.409 2.966 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000920481886 729190612 /nfs/dbraw/zinc/19/06/12/729190612.db2.gz BUXMBVYUZKSOOL-UHFFFAOYSA-N -1 0 341.293 2.663 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)OCCC(C)C)n1 ZINC000921091128 729259170 /nfs/dbraw/zinc/25/91/70/729259170.db2.gz FOTUAIRULTUQJZ-CHWSQXEVSA-N -1 0 338.429 2.622 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)c(F)c1 ZINC000921430357 729456261 /nfs/dbraw/zinc/45/62/61/729456261.db2.gz SJLNACXRTYYHBT-HNNXBMFYSA-N -1 0 349.362 2.661 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CC2CCCCCC2)c1 ZINC000175142570 729480207 /nfs/dbraw/zinc/48/02/07/729480207.db2.gz GTLUDSCJQFZALA-UHFFFAOYSA-N -1 0 334.441 2.865 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000064665958 729505188 /nfs/dbraw/zinc/50/51/88/729505188.db2.gz PQULPACVDBDEKU-JTQLQIEISA-N -1 0 325.386 2.539 20 30 EFEDRM CC(C)OCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000064667211 729507450 /nfs/dbraw/zinc/50/74/50/729507450.db2.gz IRZIISTYWZAKIX-UHFFFAOYSA-N -1 0 325.308 2.776 20 30 EFEDRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179733098 729619110 /nfs/dbraw/zinc/61/91/10/729619110.db2.gz OUOVXCCPGLFYSH-CQSZACIVSA-N -1 0 329.400 2.630 20 30 EFEDRM CC(C)C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])N1CCCCC1=O ZINC000179739029 729619494 /nfs/dbraw/zinc/61/94/94/729619494.db2.gz YZQCIEDYWGGNKK-HNNXBMFYSA-N -1 0 329.400 2.630 20 30 EFEDRM CCCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1 ZINC000179981008 729661491 /nfs/dbraw/zinc/66/14/91/729661491.db2.gz AROQRDMTQCKNBE-QGZVFWFLSA-N -1 0 327.428 2.914 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000068336914 729666336 /nfs/dbraw/zinc/66/63/36/729666336.db2.gz QCLXGFSAJNHKCE-MRVPVSSYSA-N -1 0 330.337 2.815 20 30 EFEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000068490772 729705476 /nfs/dbraw/zinc/70/54/76/729705476.db2.gz HAIAIRFMNQMNAB-GFCCVEGCSA-N -1 0 327.402 2.740 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000180732116 729766070 /nfs/dbraw/zinc/76/60/70/729766070.db2.gz CAOBSKVFBJZVHX-UHFFFAOYSA-N -1 0 334.224 2.992 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001465108479 804099870 /nfs/dbraw/zinc/09/98/70/804099870.db2.gz SGABZRWEIGMJPV-CVEARBPZSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001465115137 804150048 /nfs/dbraw/zinc/15/00/48/804150048.db2.gz KQJVLDDCPKFWSQ-PMPSAXMXSA-N -1 0 337.441 2.867 20 30 EFEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000797725790 939188575 /nfs/dbraw/zinc/18/85/75/939188575.db2.gz ZPXZKHQVHJEFMS-ZDUSSCGKSA-N -1 0 326.755 2.708 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000797744660 939206828 /nfs/dbraw/zinc/20/68/28/939206828.db2.gz VIGTXZYJLVKLFT-LJQANCHMSA-N -1 0 338.363 2.820 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797744613 939207025 /nfs/dbraw/zinc/20/70/25/939207025.db2.gz UTDUNTGWQKTSII-LJQANCHMSA-N -1 0 338.363 2.820 20 30 EFEDRM CSc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C#N ZINC000902730778 939287510 /nfs/dbraw/zinc/28/75/10/939287510.db2.gz GJFXQOVQXBSQIK-HNNXBMFYSA-N -1 0 332.425 2.787 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000929045978 939802216 /nfs/dbraw/zinc/80/22/16/939802216.db2.gz TVYKKPPBOOJGMB-SJORKVTESA-N -1 0 346.427 2.873 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CC2)cc1 ZINC001601100105 970932323 /nfs/dbraw/zinc/93/23/23/970932323.db2.gz ZTRAQZZOPJRTHP-HNNXBMFYSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(F)(F)F)c1 ZINC001601119091 970937703 /nfs/dbraw/zinc/93/77/03/970937703.db2.gz NTPPXJALDUJMPY-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cn1 ZINC001611295634 970979181 /nfs/dbraw/zinc/97/91/81/970979181.db2.gz BDYLFLBPBGPAPK-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001611295935 970981357 /nfs/dbraw/zinc/98/13/57/970981357.db2.gz YWNBCSZKOXBPDD-ULQDDVLXSA-N -1 0 326.396 2.539 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000323866579 971048105 /nfs/dbraw/zinc/04/81/05/971048105.db2.gz HIXFBTBKIYONQZ-UHFFFAOYSA-N -1 0 337.441 2.683 20 30 EFEDRM N#CCc1ccc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324273112 971103227 /nfs/dbraw/zinc/10/32/27/971103227.db2.gz LRVANHPSMYWACD-AWEZNQCLSA-N -1 0 341.289 2.624 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000325017506 971176619 /nfs/dbraw/zinc/17/66/19/971176619.db2.gz FBXPVJCWVSMPTI-UHFFFAOYSA-N -1 0 340.404 2.973 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001602683382 971273165 /nfs/dbraw/zinc/27/31/65/971273165.db2.gz COJHXGCMQBSLQY-DZGCQCFKSA-N -1 0 334.803 2.706 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC001602683785 971275580 /nfs/dbraw/zinc/27/55/80/971275580.db2.gz JPFVAKWNCGKEFO-QMMMGPOBSA-N -1 0 347.173 2.923 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001602683886 971276622 /nfs/dbraw/zinc/27/66/22/971276622.db2.gz LDISRWDRIVXACR-JTQLQIEISA-N -1 0 343.210 2.654 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC001602688046 971287523 /nfs/dbraw/zinc/28/75/23/971287523.db2.gz AQEHJBPLTPJIMR-OAHLLOKOSA-N -1 0 343.427 2.926 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC001602688044 971287591 /nfs/dbraw/zinc/28/75/91/971287591.db2.gz AQEHJBPLTPJIMR-HNNXBMFYSA-N -1 0 343.427 2.926 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC001602688877 971292687 /nfs/dbraw/zinc/29/26/87/971292687.db2.gz XWZFLLPMUXLMGY-UHFFFAOYSA-N -1 0 336.363 2.802 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC001602692341 971302099 /nfs/dbraw/zinc/30/20/99/971302099.db2.gz KYTMBYGTNSWELS-UHFFFAOYSA-N -1 0 348.358 2.705 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001602695484 971307544 /nfs/dbraw/zinc/30/75/44/971307544.db2.gz HLHPJTDTZKSYHZ-UHFFFAOYSA-N -1 0 338.407 2.797 20 30 EFEDRM C#CCN(CC(=O)[O-])C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001602695684 971311501 /nfs/dbraw/zinc/31/15/01/971311501.db2.gz PXKUBGUMWFHWEC-AWEZNQCLSA-N -1 0 340.464 2.726 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001602695978 971313803 /nfs/dbraw/zinc/31/38/03/971313803.db2.gz ZWUNVYLQPBKSJH-UHFFFAOYSA-N -1 0 339.164 2.589 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2)OCC ZINC001602707211 971342894 /nfs/dbraw/zinc/34/28/94/971342894.db2.gz MGVKDEFEFFVCLH-NSHDSACASA-N -1 0 339.413 2.829 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602709758 971347687 /nfs/dbraw/zinc/34/76/87/971347687.db2.gz JNYSDXJSNJQXQD-CYBMUJFWSA-N -1 0 330.388 2.642 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602718468 971374469 /nfs/dbraw/zinc/37/44/69/971374469.db2.gz NHZLJTYOVCPARY-MRVPVSSYSA-N -1 0 342.754 2.587 20 30 EFEDRM C=CCCCCCN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001602718812 971377176 /nfs/dbraw/zinc/37/71/76/971377176.db2.gz BMFKXPBRFCKLMN-QGZVFWFLSA-N -1 0 343.427 2.911 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1OC ZINC001602728784 971396675 /nfs/dbraw/zinc/39/66/75/971396675.db2.gz FCIZEXIXFMZWFO-VINFDWDVSA-N -1 0 345.395 2.737 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001602730866 971409223 /nfs/dbraw/zinc/40/92/23/971409223.db2.gz HMWULSNRCDOHLG-LXZKKBNFSA-N -1 0 329.396 2.648 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001602781943 971527778 /nfs/dbraw/zinc/52/77/78/971527778.db2.gz LOKWPGVKNFPGEQ-SFHVURJKSA-N -1 0 349.350 2.568 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1ccc2cc(Cl)ccc21 ZINC001602782738 971530600 /nfs/dbraw/zinc/53/06/00/971530600.db2.gz ZDPQZWXRFZRPHX-MRXNPFEDSA-N -1 0 334.759 2.842 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001602786441 971534494 /nfs/dbraw/zinc/53/44/94/971534494.db2.gz QUVSZQZBEGUNNP-JHJVBQTASA-N -1 0 331.372 2.694 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602786455 971534582 /nfs/dbraw/zinc/53/45/82/971534582.db2.gz ROCMIONNNMXHTR-JTQLQIEISA-N -1 0 326.312 2.715 20 30 EFEDRM Cc1oc(CNC(=O)CSCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000362574346 971536212 /nfs/dbraw/zinc/53/62/12/971536212.db2.gz DGTKPBOPZFSVSW-UHFFFAOYSA-N -1 0 344.392 2.708 20 30 EFEDRM CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](C)C(=O)[O-] ZINC001589710707 950320546 /nfs/dbraw/zinc/32/05/46/950320546.db2.gz ATRGDMVVPHTIOV-LBPRGKRZSA-N -1 0 339.351 2.681 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001590958546 951029876 /nfs/dbraw/zinc/02/98/76/951029876.db2.gz RAONMWGJEIUMIE-WDEREUQCSA-N -1 0 345.355 2.566 20 30 EFEDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N(O)Cc2cccc3ccccc32)CO1 ZINC001594999815 951107070 /nfs/dbraw/zinc/10/70/70/951107070.db2.gz BEVWHZWCFJTTHX-HZPDHXFCSA-N -1 0 343.379 2.828 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001592009376 951293268 /nfs/dbraw/zinc/29/32/68/951293268.db2.gz QFMXIJYPTFMAFT-GQCTYLIASA-N -1 0 327.292 2.867 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001589302309 953693966 /nfs/dbraw/zinc/69/39/66/953693966.db2.gz BMELOIACGPIIAG-BXUZGUMPSA-N -1 0 339.351 2.539 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602974030 971982366 /nfs/dbraw/zinc/98/23/66/971982366.db2.gz CMDJYWVYXNUVRY-HNNXBMFYSA-N -1 0 341.770 2.644 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001589426296 954625013 /nfs/dbraw/zinc/62/50/13/954625013.db2.gz HDAQXNBVKDOBRG-DZGCQCFKSA-N -1 0 332.400 2.731 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCCC(=O)[O-] ZINC001602993510 972030740 /nfs/dbraw/zinc/03/07/40/972030740.db2.gz MVZAMZXGHAMGFV-QGZVFWFLSA-N -1 0 332.400 2.723 20 30 EFEDRM CC[C@@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001589538732 955185191 /nfs/dbraw/zinc/18/51/91/955185191.db2.gz ZNEIEDBTCALIII-NSHDSACASA-N -1 0 333.388 2.968 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NCC2(C(=O)[O-])CCC2)c1C#N ZINC000738150475 955233309 /nfs/dbraw/zinc/23/33/09/955233309.db2.gz HNXXAENHXGFSJP-UHFFFAOYSA-N -1 0 345.424 2.537 20 30 EFEDRM Cc1nsc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C#N ZINC001594503728 955346745 /nfs/dbraw/zinc/34/67/45/955346745.db2.gz MHSHFSHYUSEWMP-CYBMUJFWSA-N -1 0 342.380 2.539 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000843320110 955627710 /nfs/dbraw/zinc/62/77/10/955627710.db2.gz FFRAGJLYFWDOOG-JHJVBQTASA-N -1 0 331.372 2.552 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000843327933 955632641 /nfs/dbraw/zinc/63/26/41/955632641.db2.gz AINAEUSPRZIRJU-CYBMUJFWSA-N -1 0 327.302 2.530 20 30 EFEDRM C[C@@](CNC(=O)Nc1ccc(F)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001589055951 955694038 /nfs/dbraw/zinc/69/40/38/955694038.db2.gz DPOXLNRZYAIOSW-SFHVURJKSA-N -1 0 341.342 2.861 20 30 EFEDRM C[C@](CNC(=O)c1c[nH]c2cccc(C#N)c12)(C(=O)[O-])c1ccccc1 ZINC001589060132 955721943 /nfs/dbraw/zinc/72/19/43/955721943.db2.gz PYBXMNVPKHMOKQ-HXUWFJFHSA-N -1 0 347.374 2.812 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846792878 955730071 /nfs/dbraw/zinc/73/00/71/955730071.db2.gz HAWBARGHVNALSD-BYCMXARLSA-N -1 0 345.399 2.846 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846792879 955730594 /nfs/dbraw/zinc/73/05/94/955730594.db2.gz HAWBARGHVNALSD-TUKIKUTGSA-N -1 0 345.399 2.846 20 30 EFEDRM C[C@@](CNc1c(C#N)nnc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589071990 955779428 /nfs/dbraw/zinc/77/94/28/955779428.db2.gz BNTIVARVCVNGDK-IBGZPJMESA-N -1 0 332.363 2.956 20 30 EFEDRM C[C@@](CNc1ccc([N+](=O)[O-])cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072476 955785695 /nfs/dbraw/zinc/78/56/95/955785695.db2.gz ZNCVFBMDIGPALT-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589078952 955837889 /nfs/dbraw/zinc/83/78/89/955837889.db2.gz GNFDYOFLDRLKMJ-RDTXWAMCSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589079563 955842170 /nfs/dbraw/zinc/84/21/70/955842170.db2.gz SMVWSBWUYJAWSL-UWWPHRKUSA-N -1 0 342.439 2.988 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1CNc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001594575235 955911314 /nfs/dbraw/zinc/91/13/14/955911314.db2.gz QNGTVCJMOAMUCQ-UHFFFAOYSA-N -1 0 340.261 2.501 20 30 EFEDRM C[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589114044 956075959 /nfs/dbraw/zinc/07/59/59/956075959.db2.gz AXVMQUIRYQUOLD-SQGPQFPESA-N -1 0 334.375 2.778 20 30 EFEDRM N#C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Br)cc1 ZINC001594601456 956134840 /nfs/dbraw/zinc/13/48/40/956134840.db2.gz MPRDIZJMNVWDQV-GFCCVEGCSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CC1(CCCOC(=O)/C=C\c2ccc(C(=O)[O-])o2)CCOCC1 ZINC001594604417 956161573 /nfs/dbraw/zinc/16/15/73/956161573.db2.gz SVWAXIQSBYKAIN-HYXAFXHYSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CC[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001594605644 956169613 /nfs/dbraw/zinc/16/96/13/956169613.db2.gz GMCXXWZUAUUIFK-ZWKOTPCHSA-N -1 0 336.391 2.886 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594608903 956187402 /nfs/dbraw/zinc/18/74/02/956187402.db2.gz FCZHEFDSBRABEY-VURMDHGXSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCOc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001594610349 956200852 /nfs/dbraw/zinc/20/08/52/956200852.db2.gz XACHKZAAAXLJBL-CQSZACIVSA-N -1 0 331.372 2.840 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2F)cc1 ZINC001594610443 956204291 /nfs/dbraw/zinc/20/42/91/956204291.db2.gz SZDJCBMWNSCNRP-UHFFFAOYSA-N -1 0 349.339 2.748 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)C2 ZINC001594611345 956213857 /nfs/dbraw/zinc/21/38/57/956213857.db2.gz SEWCIPXSBSYEGT-PLNGDYQASA-N -1 0 336.347 2.642 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594612009 956224689 /nfs/dbraw/zinc/22/46/89/956224689.db2.gz SWNMJWKORPJYJA-INIZCTEOSA-N -1 0 345.358 2.864 20 30 EFEDRM N#Cc1cc(NC(=O)N2CCC[C@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC001594615590 956233185 /nfs/dbraw/zinc/23/31/85/956233185.db2.gz CMMGJBSVFUPVOE-JTQLQIEISA-N -1 0 343.261 2.538 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1Br ZINC001594616024 956237066 /nfs/dbraw/zinc/23/70/66/956237066.db2.gz KZVDSSBXXHSPPW-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)o1 ZINC001594617558 956250763 /nfs/dbraw/zinc/25/07/63/956250763.db2.gz FFDQCQZAYIWPJI-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])COCC3)cc1 ZINC001594618419 956263480 /nfs/dbraw/zinc/26/34/80/956263480.db2.gz NSOQXMWUMOWHTR-UHFFFAOYSA-N -1 0 342.376 2.572 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899311147 956280219 /nfs/dbraw/zinc/28/02/19/956280219.db2.gz JSAFUMRFIXSCMT-CQSZACIVSA-N -1 0 330.384 2.950 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc21 ZINC000899315971 956285597 /nfs/dbraw/zinc/28/55/97/956285597.db2.gz ALZCANCOTVEWHA-AWEZNQCLSA-N -1 0 330.388 2.701 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc2n1 ZINC000899318260 956287798 /nfs/dbraw/zinc/28/77/98/956287798.db2.gz STCYEKOPIYDHQD-SWLSCSKDSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc2n1 ZINC000899318261 956288048 /nfs/dbraw/zinc/28/80/48/956288048.db2.gz STCYEKOPIYDHQD-WFASDCNBSA-N -1 0 342.399 2.797 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(c2cc(C#N)c(Br)cn2)C1 ZINC000900986511 956301930 /nfs/dbraw/zinc/30/19/30/956301930.db2.gz DRQDSZPFDYIZEE-AWEZNQCLSA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n1 ZINC001594626315 956316482 /nfs/dbraw/zinc/31/64/82/956316482.db2.gz VTLRECHYOAQUHK-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001594626452 956318975 /nfs/dbraw/zinc/31/89/75/956318975.db2.gz BNAHRCUGFGZKES-RHSMWYFYSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cn3)on2)c1 ZINC001594627752 956324419 /nfs/dbraw/zinc/32/44/19/956324419.db2.gz VIGSUORAMKLPGA-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1ccccc1OCc1cccc(-c2nc(CC(=O)[O-])no2)c1 ZINC001594631438 956341756 /nfs/dbraw/zinc/34/17/56/956341756.db2.gz ANZSKTSWCCFGLO-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594631544 956342945 /nfs/dbraw/zinc/34/29/45/956342945.db2.gz IBGYAGFJDVKWET-UONOGXRCSA-N -1 0 341.392 2.952 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589175286 956493730 /nfs/dbraw/zinc/49/37/30/956493730.db2.gz XFDXCZQNPKWSRI-ZDUSSCGKSA-N -1 0 338.363 2.855 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC000901872922 956512866 /nfs/dbraw/zinc/51/28/66/956512866.db2.gz NQXKGTZRFKOYMJ-YJYMSZOUSA-N -1 0 342.395 2.550 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C/C(=O)c3cscn3)o2)CC1 ZINC001594675123 956652824 /nfs/dbraw/zinc/65/28/24/956652824.db2.gz PCECVFCCQOYYJD-HNQUOIGGSA-N -1 0 332.381 2.933 20 30 EFEDRM COCC[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001593990902 956843435 /nfs/dbraw/zinc/84/34/35/956843435.db2.gz JTCBGMOLLDPNTH-SCLBCKFNSA-N -1 0 330.384 2.548 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013262599 957001276 /nfs/dbraw/zinc/00/12/76/957001276.db2.gz MXHZZOBOALMAFM-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000013340774 957026088 /nfs/dbraw/zinc/02/60/88/957026088.db2.gz PKWQIELKHMZTJX-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000013344103 957029668 /nfs/dbraw/zinc/02/96/68/957029668.db2.gz ZLSVKQTVSMMLRY-RUDMXATFSA-N -1 0 327.292 2.954 20 30 EFEDRM O=C([O-])c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)nc1 ZINC000914840320 957093820 /nfs/dbraw/zinc/09/38/20/957093820.db2.gz VTZNHTFTGUDKRP-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001594274126 957703309 /nfs/dbraw/zinc/70/33/09/957703309.db2.gz SEPLXCKMKWATPU-UHFFFAOYSA-N -1 0 336.347 2.816 20 30 EFEDRM Cc1cc(C(=O)/C=C\c2ccc(N3CCC(C(=O)[O-])CC3)o2)nn1C ZINC001594274552 957710485 /nfs/dbraw/zinc/71/04/85/957710485.db2.gz XSIJSLJEJLDBPJ-HYXAFXHYSA-N -1 0 343.383 2.519 20 30 EFEDRM C[C@@](CNC(=O)c1cc(F)c(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001603184865 972288201 /nfs/dbraw/zinc/28/82/01/972288201.db2.gz MTAYWIIXNVBOEB-SFHVURJKSA-N -1 0 344.317 2.609 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 ZINC001594289468 957814568 /nfs/dbraw/zinc/81/45/68/957814568.db2.gz YFCBLJNIYNCPFY-UHFFFAOYSA-N -1 0 326.356 2.769 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588371972 957965391 /nfs/dbraw/zinc/96/53/91/957965391.db2.gz AWMXSAFUHOGZEN-CJNGLKHVSA-N -1 0 332.375 2.786 20 30 EFEDRM C#C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(Br)cc1 ZINC001588387659 957988389 /nfs/dbraw/zinc/98/83/89/957988389.db2.gz LRQGVYROKHOHFK-ZDUSSCGKSA-N -1 0 348.196 2.661 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341432183 957993906 /nfs/dbraw/zinc/99/39/06/957993906.db2.gz JZISTWRUEKBMOA-YYQUZTFQSA-N -1 0 344.411 2.580 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594311168 958022421 /nfs/dbraw/zinc/02/24/21/958022421.db2.gz OHDDISAHLMCBSZ-QPJJXVBHSA-N -1 0 328.299 2.995 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001588396519 958049975 /nfs/dbraw/zinc/04/99/75/958049975.db2.gz USQRJSFURFFWLK-GOSISDBHSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001588399000 958069203 /nfs/dbraw/zinc/06/92/03/958069203.db2.gz FGEWMXIFZIRCBQ-ZZXKWVIFSA-N -1 0 345.704 2.918 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001588399231 958071470 /nfs/dbraw/zinc/07/14/70/958071470.db2.gz HNHZATJRLUMVLU-VXGBXAGGSA-N -1 0 326.179 2.643 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001588402536 958093850 /nfs/dbraw/zinc/09/38/50/958093850.db2.gz WVZLZBUJYUARRQ-UHFFFAOYSA-N -1 0 331.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CSCc1ccc(Cl)cc1Cl ZINC001588406691 958094990 /nfs/dbraw/zinc/09/49/90/958094990.db2.gz CSRGWNUDNOILFI-UHFFFAOYSA-N -1 0 346.235 2.773 20 30 EFEDRM COc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(F)cc1C#N ZINC001594062742 958108067 /nfs/dbraw/zinc/10/80/67/958108067.db2.gz AZHWMKZNECUJFR-HWKANZROSA-N -1 0 330.271 2.649 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC(CC)(CC)c1ccc(F)cc1 ZINC001588408997 958121440 /nfs/dbraw/zinc/12/14/40/958121440.db2.gz AMUVGZCQJKBWLQ-UHFFFAOYSA-N -1 0 334.391 2.613 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(C)c2ccccc2nc1SC ZINC001588410958 958143767 /nfs/dbraw/zinc/14/37/67/958143767.db2.gz BRBZNTLOMPRPJW-UHFFFAOYSA-N -1 0 343.408 2.817 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC001588410968 958143841 /nfs/dbraw/zinc/14/38/41/958143841.db2.gz CCAAJFAOGLUOAR-UHFFFAOYSA-N -1 0 344.289 2.656 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC001588411132 958146145 /nfs/dbraw/zinc/14/61/45/958146145.db2.gz MNXJANBAPYKVCH-UHFFFAOYSA-N -1 0 334.347 2.699 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594074961 958208893 /nfs/dbraw/zinc/20/88/93/958208893.db2.gz GQSQROQZCUQTBE-GFCCVEGCSA-N -1 0 331.372 2.676 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594074958 958209474 /nfs/dbraw/zinc/20/94/74/958209474.db2.gz GOXGIWYAGYMUFB-CYBMUJFWSA-N -1 0 331.372 2.818 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001588433059 958290617 /nfs/dbraw/zinc/29/06/17/958290617.db2.gz CBGGNKMUZZBSTE-QGZVFWFLSA-N -1 0 338.363 2.954 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001594343046 958313409 /nfs/dbraw/zinc/31/34/09/958313409.db2.gz PYVDBGZKRCYBSJ-BLIJAFNYSA-N -1 0 329.396 2.980 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001588439348 958316320 /nfs/dbraw/zinc/31/63/20/958316320.db2.gz ADVJSCWNGPNFNV-SFHVURJKSA-N -1 0 333.432 2.870 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588439413 958318373 /nfs/dbraw/zinc/31/83/73/958318373.db2.gz BHXNHPZVQRMMTP-IAGOWNOFSA-N -1 0 331.412 2.861 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001588439616 958320760 /nfs/dbraw/zinc/32/07/60/958320760.db2.gz YSPTZTRBMYUIEK-GOSISDBHSA-N -1 0 334.375 2.562 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000097993130 958356074 /nfs/dbraw/zinc/35/60/74/958356074.db2.gz MLKISVYAUDDCMN-CLTKARDFSA-N -1 0 340.331 2.817 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC001573317642 958454172 /nfs/dbraw/zinc/45/41/72/958454172.db2.gz LTUNJNGZVOIVDZ-CYBMUJFWSA-N -1 0 342.317 2.718 20 30 EFEDRM COc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C#N ZINC001594104929 958458828 /nfs/dbraw/zinc/45/88/28/958458828.db2.gz COCVJKNYJGUUPF-CQSZACIVSA-N -1 0 331.372 2.818 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001573318498 958466135 /nfs/dbraw/zinc/46/61/35/958466135.db2.gz OZIPIHJETRVWPX-UHFFFAOYSA-N -1 0 327.302 2.529 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001573318674 958467041 /nfs/dbraw/zinc/46/70/41/958467041.db2.gz QHZLDJXGYDNLEY-INIZCTEOSA-N -1 0 329.396 2.948 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])C(C)C ZINC001588458889 958467265 /nfs/dbraw/zinc/46/72/65/958467265.db2.gz WYTDUNHFQLYXEX-ZDUSSCGKSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)C(=O)[O-] ZINC001588458935 958468848 /nfs/dbraw/zinc/46/88/48/958468848.db2.gz XNVVTFGPROPYSJ-OLZOCXBDSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001588460396 958474261 /nfs/dbraw/zinc/47/42/61/958474261.db2.gz DJRRRSDCKVGPIX-UKRRQHHQSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001588460394 958474643 /nfs/dbraw/zinc/47/46/43/958474643.db2.gz DJRRRSDCKVGPIX-DZGCQCFKSA-N -1 0 337.441 2.679 20 30 EFEDRM COc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1C#N ZINC001594106785 958474834 /nfs/dbraw/zinc/47/48/34/958474834.db2.gz WWNFYSXLQUEKJY-ZDUSSCGKSA-N -1 0 333.388 2.968 20 30 EFEDRM C=CCC(F)(F)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573328144 958496885 /nfs/dbraw/zinc/49/68/85/958496885.db2.gz BVSSIIRJFIKKIT-UHFFFAOYSA-N -1 0 341.339 2.997 20 30 EFEDRM C=CCC1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC001573328674 958501971 /nfs/dbraw/zinc/50/19/71/958501971.db2.gz LUYZUZMYIJNEAP-INIZCTEOSA-N -1 0 341.411 2.711 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001588466280 958508300 /nfs/dbraw/zinc/50/83/00/958508300.db2.gz HQKOFRUPOKHLHV-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588466442 958511398 /nfs/dbraw/zinc/51/13/98/958511398.db2.gz QFIGPMVKDZAWCO-GOSISDBHSA-N -1 0 343.354 2.875 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588469752 958519207 /nfs/dbraw/zinc/51/92/07/958519207.db2.gz SWNJKZBWLNDBQP-LSDHHAIUSA-N -1 0 338.363 2.689 20 30 EFEDRM C=CCc1cc(C(=O)Nc2cccnc2C(=O)[O-])cc(OC)c1OC ZINC001588469847 958519733 /nfs/dbraw/zinc/51/97/33/958519733.db2.gz YMIWTXGCJMTRBS-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM C=CCc1ccc(OC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(OC)c1 ZINC001588470093 958521564 /nfs/dbraw/zinc/52/15/64/958521564.db2.gz CEYBYLJDGLEABI-KBPBESRZSA-N -1 0 334.368 2.599 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CC(=O)[O-])CC(C)(C)C)c(OC)c1 ZINC001588470229 958523038 /nfs/dbraw/zinc/52/30/38/958523038.db2.gz HWKYGGODWBNODY-UHFFFAOYSA-N -1 0 349.427 2.762 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001573337553 958523295 /nfs/dbraw/zinc/52/32/95/958523295.db2.gz QZXMDLKIROVMRO-STQMWFEESA-N -1 0 343.408 2.784 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573366143 958626862 /nfs/dbraw/zinc/62/68/62/958626862.db2.gz YUINNQFCLUQVAB-VIFPVBQESA-N -1 0 330.369 2.612 20 30 EFEDRM Cc1cccc(-c2nnc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o2)c1 ZINC001594386066 958669865 /nfs/dbraw/zinc/66/98/65/958669865.db2.gz PYRLEARIZGDKMF-DIFFPNOSSA-N -1 0 343.339 2.654 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC001594146460 958769490 /nfs/dbraw/zinc/76/94/90/958769490.db2.gz QWOCPUGAPANOKU-VXGBXAGGSA-N -1 0 336.413 2.537 20 30 EFEDRM C[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239365 972378619 /nfs/dbraw/zinc/37/86/19/972378619.db2.gz HMJAHSDDEXFJGG-NZVBXONLSA-N -1 0 339.395 2.905 20 30 EFEDRM Cc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1Br ZINC001594405357 958900741 /nfs/dbraw/zinc/90/07/41/958900741.db2.gz GOPXPTFRLJDIAM-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC001588535103 958926920 /nfs/dbraw/zinc/92/69/20/958926920.db2.gz MTADMUIADOEBBQ-SFHVURJKSA-N -1 0 341.367 2.538 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001588538720 958944040 /nfs/dbraw/zinc/94/40/40/958944040.db2.gz MWFYPFNCLLBRPU-HNNXBMFYSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Cl)nc2ccccc12 ZINC001588539856 958953059 /nfs/dbraw/zinc/95/30/59/958953059.db2.gz CLTPWSRSAQIAAP-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001588539943 958954884 /nfs/dbraw/zinc/95/48/84/958954884.db2.gz GUOLEQVRKXSDJM-OAHLLOKOSA-N -1 0 333.344 2.892 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001588544105 958987154 /nfs/dbraw/zinc/98/71/54/958987154.db2.gz ZDPAHAFMAYPUMX-SNVBAGLBSA-N -1 0 342.380 2.679 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588545129 958991925 /nfs/dbraw/zinc/99/19/25/958991925.db2.gz MEHDXHILGAZFMT-LBPRGKRZSA-N -1 0 340.335 2.693 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001588558500 959087462 /nfs/dbraw/zinc/08/74/62/959087462.db2.gz XEUQSKHNERSDGI-KRWDZBQOSA-N -1 0 330.315 2.706 20 30 EFEDRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC001588575474 959220934 /nfs/dbraw/zinc/22/09/34/959220934.db2.gz NQADKZXHFMYLEP-ZDUSSCGKSA-N -1 0 338.363 2.991 20 30 EFEDRM Cc1nc(-c2cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2)cs1 ZINC001594443642 959310596 /nfs/dbraw/zinc/31/05/96/959310596.db2.gz LZQUKYXDDPXHHS-KRWDZBQOSA-N -1 0 343.408 2.739 20 30 EFEDRM C[C@H](C(=O)[O-])N(CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC001588592577 959350160 /nfs/dbraw/zinc/35/01/60/959350160.db2.gz AZPMDXXHWGASTP-CYBMUJFWSA-N -1 0 339.395 2.675 20 30 EFEDRM C[C@H](C(=O)[O-])N(c1ccc(C#N)c(Br)c1F)C1CC1 ZINC001588596176 959370604 /nfs/dbraw/zinc/37/06/04/959370604.db2.gz CLFFLQDJGQGNJC-SSDOTTSWSA-N -1 0 327.153 2.902 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000392189181 972424091 /nfs/dbraw/zinc/42/40/91/972424091.db2.gz QLCHJFYVBRAQHD-UHFFFAOYSA-N -1 0 340.404 2.973 20 30 EFEDRM C[C@@H](C(=O)[O-])N(c1cc(Br)c(C#N)cc1F)C1CC1 ZINC001588598020 959400527 /nfs/dbraw/zinc/40/05/27/959400527.db2.gz YLKIYNPGUFZMTM-ZETCQYMHSA-N -1 0 327.153 2.902 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC001594224922 959414289 /nfs/dbraw/zinc/41/42/89/959414289.db2.gz SMQSXUZKLLEZGK-LXORQNMDSA-N -1 0 327.167 2.785 20 30 EFEDRM C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001573599366 959419985 /nfs/dbraw/zinc/41/99/85/959419985.db2.gz CKAVXEIIUAXJGG-NSHDSACASA-N -1 0 340.339 2.588 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC001594227706 959440633 /nfs/dbraw/zinc/44/06/33/959440633.db2.gz GZUSKWOUXUTLOZ-ZMZPIMSZSA-N -1 0 337.335 2.795 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001588607556 959490163 /nfs/dbraw/zinc/49/01/63/959490163.db2.gz KSCWWDROGFWPEP-JKSUJKDBSA-N -1 0 326.396 2.671 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(=O)[O-] ZINC001594238646 959521427 /nfs/dbraw/zinc/52/14/27/959521427.db2.gz MXBFWUBQMXUNSK-NSHDSACASA-N -1 0 325.324 2.945 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001594260312 959692052 /nfs/dbraw/zinc/69/20/52/959692052.db2.gz LHEUINPAIRKZGO-UHFFFAOYSA-N -1 0 326.337 2.755 20 30 EFEDRM Cc1c(Cl)cnc(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1C#N ZINC001594262465 959708353 /nfs/dbraw/zinc/70/83/53/959708353.db2.gz MIYQGUOXFYTFAT-NOEPWBJOSA-N -1 0 335.791 2.739 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc(OCC#N)c1)C(=O)[O-] ZINC001588650206 959757459 /nfs/dbraw/zinc/75/74/59/959757459.db2.gz CCTWRTBPOQIEGP-CQSZACIVSA-N -1 0 333.388 2.990 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1C#N ZINC001574258171 960554311 /nfs/dbraw/zinc/55/43/11/960554311.db2.gz XLKQTZMNJYTSHA-ZDUSSCGKSA-N -1 0 347.440 2.639 20 30 EFEDRM Cc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc(C)c1C#N ZINC001574312426 960766079 /nfs/dbraw/zinc/76/60/79/960766079.db2.gz LFRWEHVTPCIRON-SFHVURJKSA-N -1 0 334.375 2.999 20 30 EFEDRM Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc(C)c1C#N ZINC001574312425 960766841 /nfs/dbraw/zinc/76/68/41/960766841.db2.gz LFRWEHVTPCIRON-GOSISDBHSA-N -1 0 334.375 2.999 20 30 EFEDRM C=C[C@@H](CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C)c1ccccc1 ZINC001325110904 961050784 /nfs/dbraw/zinc/05/07/84/961050784.db2.gz ISPZIPIGDULNLP-HNNXBMFYSA-N -1 0 341.411 2.561 20 30 EFEDRM CC(C)(CCNC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001588775471 961280507 /nfs/dbraw/zinc/28/05/07/961280507.db2.gz LRTWSRAHHJAWSB-UHFFFAOYSA-N -1 0 339.189 2.551 20 30 EFEDRM CC(C)(NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001588789431 961359304 /nfs/dbraw/zinc/35/93/04/961359304.db2.gz UPQMWPYWPOOWKT-UHFFFAOYSA-N -1 0 337.379 2.991 20 30 EFEDRM C=C(C)C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001331981401 961448845 /nfs/dbraw/zinc/44/88/45/961448845.db2.gz FUNIVTIYZXHWAS-NSHDSACASA-N -1 0 332.169 2.803 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001588804289 961460699 /nfs/dbraw/zinc/46/06/99/961460699.db2.gz UMBAYHLBLZDBGW-NWDGAFQWSA-N -1 0 344.289 2.623 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Br)c(C#N)c1 ZINC001588808371 961498588 /nfs/dbraw/zinc/49/85/88/961498588.db2.gz QEXAMXAONNBMIJ-LLVKDONJSA-N -1 0 325.162 2.616 20 30 EFEDRM N#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001574474542 961641790 /nfs/dbraw/zinc/64/17/90/961641790.db2.gz POQJWTAAVVKMDU-RNSXUZJQSA-N -1 0 327.167 2.785 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001574479114 961646562 /nfs/dbraw/zinc/64/65/62/961646562.db2.gz DBFMCOXZBHPARQ-GOSISDBHSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC001574486407 961684851 /nfs/dbraw/zinc/68/48/51/961684851.db2.gz WYAFYSKERLAJHR-UHFFFAOYSA-N -1 0 341.392 2.773 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)nc1 ZINC001574487770 961690800 /nfs/dbraw/zinc/69/08/00/961690800.db2.gz HAXWBWSKRCEENA-INIZCTEOSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001574489038 961701016 /nfs/dbraw/zinc/70/10/16/961701016.db2.gz XOJKSHFPYOMMHD-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574489831 961709430 /nfs/dbraw/zinc/70/94/30/961709430.db2.gz QZXDEGXRDKUMEP-DLBZAZTESA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1ccccc1N(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C1CCC1 ZINC001574490244 961712578 /nfs/dbraw/zinc/71/25/78/961712578.db2.gz YDTWERJYNPXKSI-ZBFHGGJFSA-N -1 0 342.395 2.714 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991289 961830727 /nfs/dbraw/zinc/83/07/27/961830727.db2.gz GNFVSGNGCBBLNN-KRWDZBQOSA-N -1 0 349.390 2.843 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847275 961896562 /nfs/dbraw/zinc/89/65/62/961896562.db2.gz KBIJOVARIXWGNE-ZDUSSCGKSA-N -1 0 341.329 2.920 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851509 961929448 /nfs/dbraw/zinc/92/94/48/961929448.db2.gz GKRMOKDKABQKIT-DOTOQJQBSA-N -1 0 343.427 2.982 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851511 961929660 /nfs/dbraw/zinc/92/96/60/961929660.db2.gz GKRMOKDKABQKIT-NVXWUHKLSA-N -1 0 343.427 2.982 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)C(=O)[O-] ZINC001588853208 961955344 /nfs/dbraw/zinc/95/53/44/961955344.db2.gz RQIKIMMNDIRHBX-SNVBAGLBSA-N -1 0 325.315 2.705 20 30 EFEDRM Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)oc1C(=O)[O-] ZINC001571164117 961964360 /nfs/dbraw/zinc/96/43/60/961964360.db2.gz DFCWKLFXFCXCPO-UHFFFAOYSA-N -1 0 325.324 2.684 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])no3)CCCC2)cc1 ZINC001571164910 961985604 /nfs/dbraw/zinc/98/56/04/961985604.db2.gz XZHMHZFCICFIRA-UHFFFAOYSA-N -1 0 325.324 2.695 20 30 EFEDRM N#Cc1ccc(CCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC001571174269 962084278 /nfs/dbraw/zinc/08/42/78/962084278.db2.gz OOYWHGRBXIQXNS-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001571175026 962094412 /nfs/dbraw/zinc/09/44/12/962094412.db2.gz CMZZPXVIYWHBOR-UHFFFAOYSA-N -1 0 327.365 2.908 20 30 EFEDRM C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cccc(C#N)c1 ZINC001571176386 962108019 /nfs/dbraw/zinc/10/80/19/962108019.db2.gz XOPPZNVPSFWYAO-PNPHSEOMSA-N -1 0 327.384 2.658 20 30 EFEDRM CC(C)C[C@H](CNC(=O)[C@H](C)Cc1ccc(C#N)cc1)CC(=O)[O-] ZINC001588887522 962185380 /nfs/dbraw/zinc/18/53/80/962185380.db2.gz MEQORWNYDGEWIN-PBHICJAKSA-N -1 0 330.428 2.990 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001571186943 962218485 /nfs/dbraw/zinc/21/84/85/962218485.db2.gz YXJFDUYSMBTGCR-SNVBAGLBSA-N -1 0 329.381 2.878 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC001571187514 962223539 /nfs/dbraw/zinc/22/35/39/962223539.db2.gz FVUSFWVKAHHYIP-UHFFFAOYSA-N -1 0 329.743 2.876 20 30 EFEDRM CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001571187840 962229297 /nfs/dbraw/zinc/22/92/97/962229297.db2.gz OYHWOCRVGAILBC-HNNXBMFYSA-N -1 0 330.290 2.734 20 30 EFEDRM CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001571187841 962229381 /nfs/dbraw/zinc/22/93/81/962229381.db2.gz OYHWOCRVGAILBC-OAHLLOKOSA-N -1 0 330.290 2.734 20 30 EFEDRM Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)nc(C)c1C(=O)[O-] ZINC001571190959 962250652 /nfs/dbraw/zinc/25/06/52/962250652.db2.gz FAHWJNZYTVHOPG-UHFFFAOYSA-N -1 0 330.731 2.569 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001345796992 962306170 /nfs/dbraw/zinc/30/61/70/962306170.db2.gz HORSXPQRCKJRBO-SWLSCSKDSA-N -1 0 333.384 2.633 20 30 EFEDRM CN(C(=O)Nc1sccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001571195926 962306818 /nfs/dbraw/zinc/30/68/18/962306818.db2.gz HLFFNIDLZFKSNI-UHFFFAOYSA-N -1 0 331.353 2.751 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588920607 962370273 /nfs/dbraw/zinc/37/02/73/962370273.db2.gz NXVVCOXWYHVCFC-IAGOWNOFSA-N -1 0 344.411 2.565 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588920646 962372684 /nfs/dbraw/zinc/37/26/84/962372684.db2.gz RHEGKSHJXVWKGQ-CVEARBPZSA-N -1 0 329.400 2.732 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC001571216197 962500852 /nfs/dbraw/zinc/50/08/52/962500852.db2.gz ITTPVPBLELPODJ-CQSZACIVSA-N -1 0 334.253 2.531 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588935887 962502499 /nfs/dbraw/zinc/50/24/99/962502499.db2.gz FHDDZMSPHVNDDV-KBPBESRZSA-N -1 0 346.383 2.554 20 30 EFEDRM N#Cc1cc(Br)cc(Br)c1OCC(=O)[O-] ZINC001571229308 962618273 /nfs/dbraw/zinc/61/82/73/962618273.db2.gz QOOBIHCPKUKBKT-UHFFFAOYSA-N -1 0 334.951 2.547 20 30 EFEDRM C#CCN(C)c1nnc([C@@H](C)CC)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573302214 962646038 /nfs/dbraw/zinc/64/60/38/962646038.db2.gz RXJAPGJRXXWJSE-ZDUSSCGKSA-N -1 0 341.415 2.999 20 30 EFEDRM C#CC[C@H](NC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001573302606 962657373 /nfs/dbraw/zinc/65/73/73/962657373.db2.gz OFBAULABAOIZMQ-INIZCTEOSA-N -1 0 335.359 2.907 20 30 EFEDRM C#CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001573302811 962662898 /nfs/dbraw/zinc/66/28/98/962662898.db2.gz QMDANYHSKZJAOO-GFCCVEGCSA-N -1 0 332.743 2.510 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001573303234 962673336 /nfs/dbraw/zinc/67/33/36/962673336.db2.gz WLXMPUMIMSMDQX-ZDUSSCGKSA-N -1 0 336.185 2.775 20 30 EFEDRM O=C([O-])CCCCCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001574699685 962676344 /nfs/dbraw/zinc/67/63/44/962676344.db2.gz SKOCGUXEABXNAF-UHFFFAOYSA-N -1 0 327.302 2.818 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC001573303469 962677398 /nfs/dbraw/zinc/67/73/98/962677398.db2.gz OHOVAOLAZMBEIB-GFCCVEGCSA-N -1 0 329.377 2.630 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001573312233 962719101 /nfs/dbraw/zinc/71/91/01/962719101.db2.gz OTZJTTCKSNAIBQ-UHFFFAOYSA-N -1 0 330.290 2.966 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001573312238 962719331 /nfs/dbraw/zinc/71/93/31/962719331.db2.gz OXOIBIYJMFRNAB-UHFFFAOYSA-N -1 0 328.324 2.620 20 30 EFEDRM C#CCSCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001573312613 962725107 /nfs/dbraw/zinc/72/51/07/962725107.db2.gz XLKPIHXVUGVEPT-MRXNPFEDSA-N -1 0 327.405 2.838 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573321985 962764478 /nfs/dbraw/zinc/76/44/78/962764478.db2.gz SRWCKDBYXDSFQK-LBPRGKRZSA-N -1 0 342.436 2.606 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573323711 962774945 /nfs/dbraw/zinc/77/49/45/962774945.db2.gz FLPWHNIXROAGJX-OAHLLOKOSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573323709 962775189 /nfs/dbraw/zinc/77/51/89/962775189.db2.gz FLPWHNIXROAGJX-HNNXBMFYSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001573323656 962775216 /nfs/dbraw/zinc/77/52/16/962775216.db2.gz FAHKPCBUXFESEW-OAHLLOKOSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001517365175 962775099 /nfs/dbraw/zinc/77/50/99/962775099.db2.gz ONTVATZPWUZHRH-MJBXVCDLSA-N -1 0 339.338 2.927 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cn2cc(Cl)cc(Cl)c2n1)C(=O)[O-] ZINC001573323977 962778066 /nfs/dbraw/zinc/77/80/66/962778066.db2.gz KLQMUSDPPPHYOO-SNVBAGLBSA-N -1 0 342.182 2.790 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(-c2ccccc2Cl)nc1)C(=O)[O-] ZINC001573324371 962782963 /nfs/dbraw/zinc/78/29/63/962782963.db2.gz RCMKZKUDEMBQJC-AWEZNQCLSA-N -1 0 345.786 2.946 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC001573325014 962793088 /nfs/dbraw/zinc/79/30/88/962793088.db2.gz BBTATDDUZCEFBC-SFHVURJKSA-N -1 0 345.439 2.966 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(Br)c1C ZINC001573332465 962833845 /nfs/dbraw/zinc/83/38/45/962833845.db2.gz JQXPEPMZPFATIN-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC001573332639 962838348 /nfs/dbraw/zinc/83/83/48/962838348.db2.gz PYXBJMJSRKUITA-LBPRGKRZSA-N -1 0 337.173 2.551 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001573333000 962848313 /nfs/dbraw/zinc/84/83/13/962848313.db2.gz VGRDBUUROMVVHP-HZPDHXFCSA-N -1 0 339.819 2.935 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC001573333001 962848385 /nfs/dbraw/zinc/84/83/85/962848385.db2.gz VGRDBUUROMVVHP-JKSUJKDBSA-N -1 0 339.819 2.935 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC001573336484 962858816 /nfs/dbraw/zinc/85/88/16/962858816.db2.gz CTXDGOSLANBZOW-NRFANRHFSA-N -1 0 329.805 2.578 20 30 EFEDRM C=C(Cl)C[C@@H](NCc1cc(C(=O)[O-])c(CC)o1)C(=O)OCC ZINC001573339453 962890601 /nfs/dbraw/zinc/89/06/01/962890601.db2.gz SRMCFNZBEYUIIM-GFCCVEGCSA-N -1 0 329.780 2.704 20 30 EFEDRM C=CC(C)(C)C(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001526745726 962894643 /nfs/dbraw/zinc/89/46/43/962894643.db2.gz OZFHSJSTSTWVNE-GFCCVEGCSA-N -1 0 340.217 2.773 20 30 EFEDRM C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573343939 962911001 /nfs/dbraw/zinc/91/10/01/962911001.db2.gz MPASCZJEPSSIFR-LLVKDONJSA-N -1 0 336.779 2.510 20 30 EFEDRM C=C1CCC(C(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001573344073 962911321 /nfs/dbraw/zinc/91/13/21/962911321.db2.gz NGQZCGSOHYPOOX-NSHDSACASA-N -1 0 348.374 2.714 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CC1 ZINC001573344305 962915036 /nfs/dbraw/zinc/91/50/36/962915036.db2.gz SIIQMTSJGXTEIK-UHFFFAOYSA-N -1 0 331.393 2.879 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001573347828 962952873 /nfs/dbraw/zinc/95/28/73/962952873.db2.gz OVIYIHXBBZOCDC-UHFFFAOYSA-N -1 0 332.400 2.891 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001573352774 962993341 /nfs/dbraw/zinc/99/33/41/962993341.db2.gz KAFRWSSFYLPTQQ-UHFFFAOYSA-N -1 0 338.429 2.646 20 30 EFEDRM C=CC[C@H](N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)C(=O)[O-] ZINC001573353029 962996033 /nfs/dbraw/zinc/99/60/33/962996033.db2.gz ODWJBRDKPFHNDB-IRXDYDNUSA-N -1 0 331.412 2.702 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC001573366101 963058128 /nfs/dbraw/zinc/05/81/28/963058128.db2.gz JPXZXFZWXRIRSW-NWDGAFQWSA-N -1 0 339.404 2.541 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573369078 963091092 /nfs/dbraw/zinc/09/10/92/963091092.db2.gz OBYPBZOYFFFGPW-ZACQAIPSSA-N -1 0 331.412 2.732 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001573369105 963092941 /nfs/dbraw/zinc/09/29/41/963092941.db2.gz WYZIRQYKMNBVJQ-UHFFFAOYSA-N -1 0 329.356 2.944 20 30 EFEDRM C=CCNC(=O)c1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314758260 963805310 /nfs/dbraw/zinc/80/53/10/963805310.db2.gz GKRCKVGJGGHYJP-SNVBAGLBSA-N -1 0 331.397 2.930 20 30 EFEDRM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588440858 964046573 /nfs/dbraw/zinc/04/65/73/964046573.db2.gz UMLGMEPVFKUIHJ-LLVKDONJSA-N -1 0 337.397 2.819 20 30 EFEDRM C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588447072 964082768 /nfs/dbraw/zinc/08/27/68/964082768.db2.gz DLMSFDYWQVFNMY-INIZCTEOSA-N -1 0 338.411 2.660 20 30 EFEDRM C[C@H]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@@H]1C(=O)[O-] ZINC000886909592 969408164 /nfs/dbraw/zinc/40/81/64/969408164.db2.gz CDWYNXXEBGMBMK-WFASDCNBSA-N -1 0 338.367 2.688 20 30 EFEDRM C[C@@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024640 969508650 /nfs/dbraw/zinc/50/86/50/969508650.db2.gz CFLKVYSZRDKUKD-QIYAXKTMSA-N -1 0 332.444 2.958 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1ccc(C(=O)[O-])s1 ZINC000903683066 969584937 /nfs/dbraw/zinc/58/49/37/969584937.db2.gz GVKWKELHVWUUEM-UHFFFAOYSA-N -1 0 332.381 2.955 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1 ZINC001609708370 970486990 /nfs/dbraw/zinc/48/69/90/970486990.db2.gz GHGSHFURBBZIJM-QMMMGPOBSA-N -1 0 339.298 2.629 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC001609885908 970575201 /nfs/dbraw/zinc/57/52/01/970575201.db2.gz SIMYVPHYOAWMBC-LLVKDONJSA-N -1 0 343.408 2.949 20 30 EFEDRM N#Cc1csc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001610634069 970757095 /nfs/dbraw/zinc/75/70/95/970757095.db2.gz JAXQVQWXBIZZJX-UHFFFAOYSA-N -1 0 334.378 2.704 20 30 EFEDRM Cc1c(C#N)c(Br)ccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605084862 972730715 /nfs/dbraw/zinc/73/07/15/972730715.db2.gz NXUQQIQVSOOTOI-UHFFFAOYSA-N -1 0 349.184 2.989 20 30 EFEDRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C#N)cc1N(C)C ZINC001605201112 972929992 /nfs/dbraw/zinc/92/99/92/972929992.db2.gz ZFWHWNUSHRSQDE-SMDDNHRTSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1ccc(N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Br ZINC001605284512 973081858 /nfs/dbraw/zinc/08/18/58/973081858.db2.gz DVZVPSITJBCIAR-CQSZACIVSA-N -1 0 339.189 2.725 20 30 EFEDRM Cc1cccc(C2=CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)c1C ZINC001605335547 973217659 /nfs/dbraw/zinc/21/76/59/973217659.db2.gz HKNVCBMYEUOKGB-IBGZPJMESA-N -1 0 326.396 2.924 20 30 EFEDRM Cc1nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc1SCC#N ZINC001605408979 973411219 /nfs/dbraw/zinc/41/12/19/973411219.db2.gz XDKXTYULQRDWPK-MRVPVSSYSA-N -1 0 327.431 2.753 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001603516170 973530118 /nfs/dbraw/zinc/53/01/18/973530118.db2.gz NZOKFVVOUORTGM-VIFPVBQESA-N -1 0 340.177 2.961 20 30 EFEDRM CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Oc1cccc(Cl)c1 ZINC001603551070 973623869 /nfs/dbraw/zinc/62/38/69/973623869.db2.gz YQBLKYCIJDIWGE-BLLLJJGKSA-N -1 0 338.791 2.618 20 30 EFEDRM N#C[C@H](C(=O)CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001605575806 973840494 /nfs/dbraw/zinc/84/04/94/973840494.db2.gz BBWCYIFTUMWXHV-LLVKDONJSA-N -1 0 343.166 2.896 20 30 EFEDRM N#C[C@@H](C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001605577063 973853773 /nfs/dbraw/zinc/85/37/73/973853773.db2.gz WLELDZVNENYSFU-BBBLOLIVSA-N -1 0 333.294 2.718 20 30 EFEDRM N#CC(C(=O)C1(CC(=O)[O-])CCC1)c1cc(C(F)(F)F)ccn1 ZINC001605577040 973854263 /nfs/dbraw/zinc/85/42/63/973854263.db2.gz SRBOFTLTRQZMIQ-SNVBAGLBSA-N -1 0 326.274 2.922 20 30 EFEDRM N#CC1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001605582699 973867318 /nfs/dbraw/zinc/86/73/18/973867318.db2.gz DEAJESZYSLZULC-YCUKKYJWSA-N -1 0 341.411 2.929 20 30 EFEDRM N#CC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001605583688 973874777 /nfs/dbraw/zinc/87/47/77/973874777.db2.gz ZFDNIOZRQRLIED-GJZGRUSLSA-N -1 0 327.384 2.683 20 30 EFEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCCCC(=O)[O-])n1 ZINC001605591957 973891007 /nfs/dbraw/zinc/89/10/07/973891007.db2.gz KKZHFSAHJOSFFP-UHFFFAOYSA-N -1 0 346.774 2.981 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601584 973906409 /nfs/dbraw/zinc/90/64/09/973906409.db2.gz VHCXGTJFUXJTRR-CABCVRRESA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)cc1 ZINC001605601809 973907373 /nfs/dbraw/zinc/90/73/73/973907373.db2.gz DNBWHPKNKQIMBY-HXUWFJFHSA-N -1 0 336.391 2.985 20 30 EFEDRM N#Cc1ccc2ncc(CN3CC[C@H](C(=O)[O-])c4ccccc43)n2c1 ZINC001605612333 973925010 /nfs/dbraw/zinc/92/50/10/973925010.db2.gz MMDLWHOGBOXGFX-INIZCTEOSA-N -1 0 332.363 2.784 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])n2)c1 ZINC001605617539 973934942 /nfs/dbraw/zinc/93/49/42/973934942.db2.gz KVFAVAUQSCJSIX-NWDGAFQWSA-N -1 0 327.365 2.731 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)c1 ZINC001605617619 973935774 /nfs/dbraw/zinc/93/57/74/973935774.db2.gz QEPKXJKVGFRDRG-HNNXBMFYSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1sc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])nc1Cl ZINC001605626257 973953124 /nfs/dbraw/zinc/95/31/24/973953124.db2.gz HRVJCMLMUJZXAR-MRVPVSSYSA-N -1 0 342.808 2.919 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001605627099 973964085 /nfs/dbraw/zinc/96/40/85/973964085.db2.gz YVKURPCEBVUPCO-UHFFFAOYSA-N -1 0 334.378 2.704 20 30 EFEDRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001604812655 974049956 /nfs/dbraw/zinc/04/99/56/974049956.db2.gz ADDLHFBUFYBPOQ-HNNXBMFYSA-N -1 0 343.314 2.653 20 30 EFEDRM CCN(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)[C@H](C)C(=O)[O-] ZINC001603713884 974119489 /nfs/dbraw/zinc/11/94/89/974119489.db2.gz NHZWFIXVNUCOEW-SKDRFNHKSA-N -1 0 343.305 2.666 20 30 EFEDRM CCOc1cccc(/C=N\C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1O ZINC001603875723 974376988 /nfs/dbraw/zinc/37/69/88/974376988.db2.gz LDSQHNSDHKRZAK-PGPVFJHDSA-N -1 0 333.384 2.622 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC001603927405 974420822 /nfs/dbraw/zinc/42/08/22/974420822.db2.gz YMEWJWBHRWJQCM-NHYWBVRUSA-N -1 0 333.388 2.966 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C#N ZINC001591786787 975961082 /nfs/dbraw/zinc/96/10/82/975961082.db2.gz RSSZZQVFUKODAX-SWLSCSKDSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591786811 975961310 /nfs/dbraw/zinc/96/13/10/975961310.db2.gz SVFMGHVWXHKKLQ-UHFFFAOYSA-N -1 0 331.372 2.696 20 30 EFEDRM CC(C)[C@H](O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001591907545 976311677 /nfs/dbraw/zinc/31/16/77/976311677.db2.gz UNJSHQHULYXURB-SFHVURJKSA-N -1 0 337.375 2.740 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3C[C@H](O)C[C@@H](C(=O)[O-])C3)c2c1 ZINC001591981667 976598619 /nfs/dbraw/zinc/59/86/19/976598619.db2.gz WBBQMHIIGOBPIQ-UKRRQHHQSA-N -1 0 339.395 2.502 20 30 EFEDRM CC(C)n1c(SCc2cccc(C(=O)[O-])c2C#N)nnc1N(C)C ZINC001592121334 976928092 /nfs/dbraw/zinc/92/80/92/976928092.db2.gz OOIZYMFMUVEKHZ-UHFFFAOYSA-N -1 0 345.428 2.787 20 30 EFEDRM CC(C)n1ncc(C(=O)N(CC#N)CCC(=O)[O-])c1-c1ccccc1 ZINC001592149904 977020106 /nfs/dbraw/zinc/02/01/06/977020106.db2.gz QDKMBQOWDYIFTM-UHFFFAOYSA-N -1 0 340.383 2.571 20 30 EFEDRM CC(C)n1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1Cl ZINC001592153956 977031468 /nfs/dbraw/zinc/03/14/68/977031468.db2.gz ZXGUQANJUNRNIL-CYBMUJFWSA-N -1 0 347.758 2.972 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001592222147 977405091 /nfs/dbraw/zinc/40/50/91/977405091.db2.gz RQNFHSOZMXKXEL-VIFPVBQESA-N -1 0 341.314 2.795 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001592222156 977405129 /nfs/dbraw/zinc/40/51/29/977405129.db2.gz RWQWGIINYAYRLY-LLVKDONJSA-N -1 0 327.340 2.727 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001592222144 977405294 /nfs/dbraw/zinc/40/52/94/977405294.db2.gz RQNFHSOZMXKXEL-SECBINFHSA-N -1 0 341.314 2.795 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001592225630 977410778 /nfs/dbraw/zinc/41/07/78/977410778.db2.gz FZTPSVKMBOPJHF-UWVGGRQHSA-N -1 0 325.365 2.625 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccncc1 ZINC001592297110 977633845 /nfs/dbraw/zinc/63/38/45/977633845.db2.gz FMHMVGGEYVWKII-QKLQHJQFSA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1[nH]c2ccccc2c1C#N)c1ccncc1 ZINC001592297610 977638537 /nfs/dbraw/zinc/63/85/37/977638537.db2.gz LWBDDRAUSBNULP-IBGZPJMESA-N -1 0 348.362 2.554 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(C#N)ccc1Cl)c1ccccn1 ZINC001592303815 977659866 /nfs/dbraw/zinc/65/98/66/977659866.db2.gz MVSIZJWZXTUFBF-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC001592374537 977900971 /nfs/dbraw/zinc/90/09/71/977900971.db2.gz APKRAZXTFIBVIE-JOYOIKCWSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC001592374540 977901096 /nfs/dbraw/zinc/90/10/96/977901096.db2.gz APKRAZXTFIBVIE-SKDRFNHKSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001592374517 977901124 /nfs/dbraw/zinc/90/11/24/977901124.db2.gz BGJUUESXJQZLNN-GFCCVEGCSA-N -1 0 348.374 2.568 20 30 EFEDRM C[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736544159 978341578 /nfs/dbraw/zinc/34/15/78/978341578.db2.gz ANYQQDMOUJDUJA-SNVBAGLBSA-N -1 0 328.290 2.636 20 30 EFEDRM C[C@H](CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001592513745 978349692 /nfs/dbraw/zinc/34/96/92/978349692.db2.gz SNXSJWFERGDWKR-CQSZACIVSA-N -1 0 329.400 2.580 20 30 EFEDRM C=CCCOCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000737528355 978413584 /nfs/dbraw/zinc/41/35/84/978413584.db2.gz RQTJBWVLHJOOEJ-UHFFFAOYSA-N -1 0 328.162 2.679 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCC(=O)[O-])cc1 ZINC000746681079 978685633 /nfs/dbraw/zinc/68/56/33/978685633.db2.gz FHVWOMMUFFLNAR-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM Cc1cc(F)ccc1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000750945842 978691073 /nfs/dbraw/zinc/69/10/73/978691073.db2.gz JIOBBUNBDCDKCF-UHFFFAOYSA-N -1 0 347.302 2.952 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1CCC(=O)Nc2ccccc21 ZINC000783863224 978794067 /nfs/dbraw/zinc/79/40/67/978794067.db2.gz OXVKSAYCPHQURB-UHFFFAOYSA-N -1 0 339.351 2.942 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000793348917 978802950 /nfs/dbraw/zinc/80/29/50/978802950.db2.gz GDYASRBLOQQJQJ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)c1nccnc1N=NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794940647 978830993 /nfs/dbraw/zinc/83/09/93/978830993.db2.gz YCBVSYPIHUOFRZ-LBPRGKRZSA-N -1 0 328.372 2.898 20 30 EFEDRM O=C([O-])Cn1cc(CN=Nc2cncc(Cl)n2)c2ccccc21 ZINC000799875148 978843357 /nfs/dbraw/zinc/84/33/57/978843357.db2.gz OOBJXTFJYBKQGN-UHFFFAOYSA-N -1 0 329.747 2.615 20 30 EFEDRM O=C([O-])Cn1cc(C=Nn2cc(Br)cn2)c2ccccc21 ZINC000799885505 978845359 /nfs/dbraw/zinc/84/53/59/978845359.db2.gz YEKSXNBRVXNKFE-UHFFFAOYSA-N -1 0 347.172 2.567 20 30 EFEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OCC#N ZINC000812445559 978869959 /nfs/dbraw/zinc/86/99/59/978869959.db2.gz ZRTLAFCWWQZFKY-UHFFFAOYSA-N -1 0 325.324 2.742 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2cccc(C(=O)[O-])c2)c1 ZINC000814721610 978876663 /nfs/dbraw/zinc/87/66/63/978876663.db2.gz MBDABMKIPZPLMG-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM C[C@@H]1CCC[C@@H](NC(=S)NN=C2CCC(C(=O)[O-])CC2)[C@H]1C ZINC000814758879 978882158 /nfs/dbraw/zinc/88/21/58/978882158.db2.gz KILJYIINWZMJOG-IIKSMHAQSA-N -1 0 325.478 2.906 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814770469 978882786 /nfs/dbraw/zinc/88/27/86/978882786.db2.gz GKDQSTBOVUOMAU-NEPJUHHUSA-N -1 0 342.399 2.705 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814888181 978896451 /nfs/dbraw/zinc/89/64/51/978896451.db2.gz YXPWFKPUQLNJGH-UHFFFAOYSA-N -1 0 344.327 2.720 20 30 EFEDRM CCOc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCO2 ZINC000814890522 978896864 /nfs/dbraw/zinc/89/68/64/978896864.db2.gz RFGYRJZQYRQQTQ-UHFFFAOYSA-N -1 0 327.340 2.777 20 30 EFEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=C1CCC(C(=O)[O-])CC1 ZINC000814924660 978899520 /nfs/dbraw/zinc/89/95/20/978899520.db2.gz WKPUHBVZQJBIGD-PUODRLBUSA-N -1 0 332.400 2.957 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000820352720 978925653 /nfs/dbraw/zinc/92/56/53/978925653.db2.gz FKRVXPFCUIKOPL-MDZLAQPJSA-N -1 0 326.179 2.690 20 30 EFEDRM CC(=NNC(=S)NCCc1cccs1)c1ccc(C(=O)[O-])cc1 ZINC000825804357 978941540 /nfs/dbraw/zinc/94/15/40/978941540.db2.gz FSOLOJASSABETE-UHFFFAOYSA-N -1 0 347.465 2.877 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826705337 978948367 /nfs/dbraw/zinc/94/83/67/978948367.db2.gz SDFNPZPKCYFTOH-LLVKDONJSA-N -1 0 329.278 2.808 20 30 EFEDRM CC[C@@H](CC#N)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595029812 979161244 /nfs/dbraw/zinc/16/12/44/979161244.db2.gz GRHFJZXNEIJBRZ-VIFPVBQESA-N -1 0 344.198 2.912 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833469009 979189134 /nfs/dbraw/zinc/18/91/34/979189134.db2.gz STJBVNLVHXQDOQ-NWDGAFQWSA-N -1 0 343.305 2.678 20 30 EFEDRM C[C@@](CNc1cc(C#N)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592728413 979236316 /nfs/dbraw/zinc/23/63/16/979236316.db2.gz BOANRSSJQZFLCC-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cc(C#N)ccc1Cl ZINC001595044120 979247558 /nfs/dbraw/zinc/24/75/58/979247558.db2.gz RXFJRMVKAORUSV-UHFFFAOYSA-N -1 0 337.759 2.829 20 30 EFEDRM CCC(CC)(CNC(=O)OC(C)(C)C)CN(CC#N)CCC(=O)[O-] ZINC001595071543 979342377 /nfs/dbraw/zinc/34/23/77/979342377.db2.gz DWIGXVOUKCCGLG-UHFFFAOYSA-N -1 0 341.452 2.618 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000851618587 979544645 /nfs/dbraw/zinc/54/46/45/979544645.db2.gz LRBMVGNSBFMIDC-BZSNNMDCSA-N -1 0 341.407 2.804 20 30 EFEDRM C=CCC1(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CCOCC1 ZINC000851618942 979545517 /nfs/dbraw/zinc/54/55/17/979545517.db2.gz WGZQRIASDJUCRN-UHFFFAOYSA-N -1 0 347.411 2.622 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001592834684 979578531 /nfs/dbraw/zinc/57/85/31/979578531.db2.gz UOQAZCODYBXKBZ-KUHUBIRLSA-N -1 0 348.402 2.947 20 30 EFEDRM CCCCCCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000853231871 979603047 /nfs/dbraw/zinc/60/30/47/979603047.db2.gz NSNYFFBQNXUWMQ-UHFFFAOYSA-N -1 0 331.409 2.914 20 30 EFEDRM O=C([O-])Cc1ccc(NN=Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000853370177 979605444 /nfs/dbraw/zinc/60/54/44/979605444.db2.gz FWRMTSSOQCAEME-SFHVURJKSA-N -1 0 340.379 2.927 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC000863429398 979664340 /nfs/dbraw/zinc/66/43/40/979664340.db2.gz QFGNQLOCDWFZJG-UHFFFAOYSA-N -1 0 329.418 2.642 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC001592859451 979682441 /nfs/dbraw/zinc/68/24/41/979682441.db2.gz UDUMEYWBEAHNPJ-CYBMUJFWSA-N -1 0 337.379 2.872 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1)C(=O)[O-] ZINC001592866545 979711849 /nfs/dbraw/zinc/71/18/49/979711849.db2.gz KTGKWTGHTWPOGX-PBHICJAKSA-N -1 0 344.411 2.644 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC000864145439 979750546 /nfs/dbraw/zinc/75/05/46/979750546.db2.gz IKZBZZHORDXJQH-APWZRJJASA-N -1 0 333.428 2.663 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000871989083 980023734 /nfs/dbraw/zinc/02/37/34/980023734.db2.gz XHWLBXQSLLRSQR-BETUJISGSA-N -1 0 339.388 2.704 20 30 EFEDRM C[C@@H]1C(N=Nc2cc(Br)ncn2)CC[C@H]1CC(=O)[O-] ZINC000872437033 980074856 /nfs/dbraw/zinc/07/48/56/980074856.db2.gz YULWZXWTUDMWSL-YUMQZZPRSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCCC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000872749044 980137136 /nfs/dbraw/zinc/13/71/36/980137136.db2.gz AMWABRSPXLBSFW-LBPRGKRZSA-N -1 0 331.290 2.663 20 30 EFEDRM C[C@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[C@H]1C(=O)[O-] ZINC000886911729 980212251 /nfs/dbraw/zinc/21/22/51/980212251.db2.gz AMADDFTZHKZETJ-SWLSCSKDSA-N -1 0 338.367 2.688 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000899355354 980228688 /nfs/dbraw/zinc/22/86/88/980228688.db2.gz QXUCVSQFQXWCGJ-WAYWQWQTSA-N -1 0 341.363 2.835 20 30 EFEDRM C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593011056 980245350 /nfs/dbraw/zinc/24/53/50/980245350.db2.gz LZZQLRWNGMZKOZ-VQCYPWCPSA-N -1 0 327.365 2.604 20 30 EFEDRM CC(C)C[C@@H](CNc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC000900960971 980254175 /nfs/dbraw/zinc/25/41/75/980254175.db2.gz FGVBUKJVYUZZIE-JTQLQIEISA-N -1 0 326.194 2.875 20 30 EFEDRM CC[C@](NC(=O)c1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595263905 980268862 /nfs/dbraw/zinc/26/88/62/980268862.db2.gz SSYIOIQEOSSXAT-GOSISDBHSA-N -1 0 326.327 2.817 20 30 EFEDRM C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593039549 980319077 /nfs/dbraw/zinc/31/90/77/980319077.db2.gz BHIBFKJHUILIDO-RDTXWAMCSA-N -1 0 336.391 2.549 20 30 EFEDRM CN(C)c1ncc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)cn1 ZINC000901526168 980351833 /nfs/dbraw/zinc/35/18/33/980351833.db2.gz PPUDSURASWKDRO-RIYZIHGNSA-N -1 0 337.379 2.843 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cc3n(n2)CCCC3)cc1)C(=O)[O-] ZINC000901562946 980383958 /nfs/dbraw/zinc/38/39/58/980383958.db2.gz HXCYJSLYDRHKKH-UTSBKAFOSA-N -1 0 340.379 2.967 20 30 EFEDRM CC[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1c(C)nn(C)c1C ZINC001595300217 980434251 /nfs/dbraw/zinc/43/42/51/980434251.db2.gz OWMSIWNISDWPHJ-MRXNPFEDSA-N -1 0 326.400 2.848 20 30 EFEDRM N#CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC000901705839 980457786 /nfs/dbraw/zinc/45/77/86/980457786.db2.gz XLZUUVLFCBZWNR-JKSUJKDBSA-N -1 0 326.396 2.787 20 30 EFEDRM C=CCOC[C@H](NCc1cnc(-c2ccccc2F)s1)C(=O)[O-] ZINC000901811095 980532590 /nfs/dbraw/zinc/53/25/90/980532590.db2.gz PLMKEAVJNDSXPD-AWEZNQCLSA-N -1 0 336.388 2.695 20 30 EFEDRM C#CCOc1ccccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000901830274 980550506 /nfs/dbraw/zinc/55/05/06/980550506.db2.gz SDBLDOSSLFQIFR-UHFFFAOYSA-N -1 0 336.391 2.959 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000902071085 980720376 /nfs/dbraw/zinc/72/03/76/980720376.db2.gz ZKUTZANBTZHKQI-IBGZPJMESA-N -1 0 348.402 2.928 20 30 EFEDRM CCC1CCC(NC(=O)Cc2ccccc2CC#N)(C(=O)[O-])CC1 ZINC001595422037 981041136 /nfs/dbraw/zinc/04/11/36/981041136.db2.gz HWNZPLZINAERMI-UHFFFAOYSA-N -1 0 328.412 2.835 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000906002188 981165740 /nfs/dbraw/zinc/16/57/40/981165740.db2.gz WLKURYRAQSDUON-UKRRQHHQSA-N -1 0 337.441 2.679 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001595651521 982022885 /nfs/dbraw/zinc/02/28/85/982022885.db2.gz HFIBKNXWXVHDFH-MAUKXSAKSA-N -1 0 349.431 2.859 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595652215 982031723 /nfs/dbraw/zinc/03/17/23/982031723.db2.gz QGVOGAXBISRNHB-LLVKDONJSA-N -1 0 339.392 2.695 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595652232 982032410 /nfs/dbraw/zinc/03/24/10/982032410.db2.gz QNQFKYSYGNUOSX-MRXNPFEDSA-N -1 0 334.416 2.901 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595652231 982032796 /nfs/dbraw/zinc/03/27/96/982032796.db2.gz QNQFKYSYGNUOSX-INIZCTEOSA-N -1 0 334.416 2.901 20 30 EFEDRM CCCC[C@@H](SCC#CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001595655569 982045317 /nfs/dbraw/zinc/04/53/17/982045317.db2.gz LXRQWDLGHPZPNA-OAHLLOKOSA-N -1 0 345.420 2.663 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-] ZINC001595687255 982178854 /nfs/dbraw/zinc/17/88/54/982178854.db2.gz OFYWOASVETXENF-NSHDSACASA-N -1 0 344.820 2.523 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594883932 982257738 /nfs/dbraw/zinc/25/77/38/982257738.db2.gz DSFORUGTENWMJV-HZMBPMFUSA-N -1 0 327.302 2.672 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001595709022 982290048 /nfs/dbraw/zinc/29/00/48/982290048.db2.gz QYXZELQFOLCOKH-INIZCTEOSA-N -1 0 327.446 2.876 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC001594901381 982355406 /nfs/dbraw/zinc/35/54/06/982355406.db2.gz GJPCBMNWRDLIMT-XPTSAGLGSA-N -1 0 340.832 2.919 20 30 EFEDRM CCCCn1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1 ZINC001595805579 982632159 /nfs/dbraw/zinc/63/21/59/982632159.db2.gz XZZLCPAAYSJYOR-MRXNPFEDSA-N -1 0 341.367 2.846 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC2CCC1CC2 ZINC000923064206 982703193 /nfs/dbraw/zinc/70/31/93/982703193.db2.gz NCWLXQMREBXMHN-UGSUZCALSA-N -1 0 326.396 2.691 20 30 EFEDRM N#C[C@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC2CCC1CC2 ZINC000923069497 982705322 /nfs/dbraw/zinc/70/53/22/982705322.db2.gz OXRHNYOHAVHLJB-RJGDCVCESA-N -1 0 338.407 2.990 20 30 EFEDRM COCc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1 ZINC000923081273 982711803 /nfs/dbraw/zinc/71/18/03/982711803.db2.gz RDGAIIRDEFDDPA-SFHVURJKSA-N -1 0 328.368 2.944 20 30 EFEDRM N#C[C@]1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC12CCCC2 ZINC000923106047 982728477 /nfs/dbraw/zinc/72/84/77/982728477.db2.gz JJZJMXRKPQBCTK-DIFFPNOSSA-N -1 0 345.424 2.631 20 30 EFEDRM N#C[C@@]1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CC12CCCC2 ZINC000923106046 982728687 /nfs/dbraw/zinc/72/86/87/982728687.db2.gz JJZJMXRKPQBCTK-APPDUMDISA-N -1 0 345.424 2.631 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923116098 982735820 /nfs/dbraw/zinc/73/58/20/982735820.db2.gz AAUFKMHQOGELTK-BBRMVZONSA-N -1 0 326.352 2.853 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(C#N)c1Br ZINC001594977067 982753695 /nfs/dbraw/zinc/75/36/95/982753695.db2.gz BSGBHFJXFBAJKT-VIFPVBQESA-N -1 0 339.189 2.646 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001595936052 983070474 /nfs/dbraw/zinc/07/04/74/983070474.db2.gz QJECZYASWUFLMV-UHFFFAOYSA-N -1 0 338.367 2.655 20 30 EFEDRM CCCOc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001595968907 983186434 /nfs/dbraw/zinc/18/64/34/983186434.db2.gz HUMNGQJCSZOUGH-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM C#CC(C)(C)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367024 983296073 /nfs/dbraw/zinc/29/60/73/983296073.db2.gz FVIJIACFCVMTDJ-NSHDSACASA-N -1 0 328.290 2.699 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588368182 983304756 /nfs/dbraw/zinc/30/47/56/983304756.db2.gz HTEYRWLWOKBBLF-CYBMUJFWSA-N -1 0 329.400 2.861 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588369419 983314051 /nfs/dbraw/zinc/31/40/51/983314051.db2.gz LGRHRZQGLDLVNJ-HRCADAONSA-N -1 0 348.830 2.952 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC001588372819 983334257 /nfs/dbraw/zinc/33/42/57/983334257.db2.gz TYNNQGBDAINDOT-INIZCTEOSA-N -1 0 332.375 2.786 20 30 EFEDRM C#C[C@H](NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC001588373020 983336073 /nfs/dbraw/zinc/33/60/73/983336073.db2.gz YGMRXBISBMYJEC-HNNXBMFYSA-N -1 0 339.395 2.592 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1Br)C(C)C ZINC001588373773 983339867 /nfs/dbraw/zinc/33/98/67/983339867.db2.gz JPSAYEZWDIKAEC-SNVBAGLBSA-N -1 0 339.189 2.927 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588375661 983346541 /nfs/dbraw/zinc/34/65/41/983346541.db2.gz FHMSDAKAIFMROG-OAHLLOKOSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588382810 983375024 /nfs/dbraw/zinc/37/50/24/983375024.db2.gz TZGNSYIPTARGAM-WCQYABFASA-N -1 0 334.347 2.697 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001588390157 983392168 /nfs/dbraw/zinc/39/21/68/983392168.db2.gz MMIICBCMZLOKEI-ZXYWRSMDSA-N -1 0 344.459 2.752 20 30 EFEDRM C#CC[C@H](NC(=O)/C(C)=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588399576 983415793 /nfs/dbraw/zinc/41/57/93/983415793.db2.gz VRKREJYHUUTGCG-YXVBKTCISA-N -1 0 326.179 2.989 20 30 EFEDRM C#CC[C@H](NC(=O)c1c(C)onc1-c1cccc(Cl)c1)C(=O)[O-] ZINC001588413696 983431850 /nfs/dbraw/zinc/43/18/50/983431850.db2.gz GOHCEYPBTZZZOP-LBPRGKRZSA-N -1 0 332.743 2.510 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(=O)[O-] ZINC001588413881 983432425 /nfs/dbraw/zinc/43/24/25/983432425.db2.gz KHGYLFHZGLMSRH-GOSISDBHSA-N -1 0 338.407 2.917 20 30 EFEDRM C#CC[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC001588416468 983436820 /nfs/dbraw/zinc/43/68/20/983436820.db2.gz MTBFSBWSZCPUGC-HNNXBMFYSA-N -1 0 329.377 2.533 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001588416509 983436854 /nfs/dbraw/zinc/43/68/54/983436854.db2.gz OFVAXAHIRCKDSY-GOSISDBHSA-N -1 0 346.386 2.896 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)[O-] ZINC001588416901 983437830 /nfs/dbraw/zinc/43/78/30/983437830.db2.gz SKQMGEDOFWEOOC-HNNXBMFYSA-N -1 0 334.331 2.557 20 30 EFEDRM C#CC[C@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC001588417091 983438273 /nfs/dbraw/zinc/43/82/73/983438273.db2.gz XFEGEHDRJUDOPH-ZDUSSCGKSA-N -1 0 328.393 2.633 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccccc1Nc1ccccc1OC)C(=O)[O-] ZINC001588417208 983439006 /nfs/dbraw/zinc/43/90/06/983439006.db2.gz ZYRGXCNPFVLXPJ-INIZCTEOSA-N -1 0 338.363 2.645 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001588422411 983446326 /nfs/dbraw/zinc/44/63/26/983446326.db2.gz XSRZHJXLUQCXJX-CQSZACIVSA-N -1 0 343.404 2.842 20 30 EFEDRM C#CCC1(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)CCCCC1 ZINC001588427623 983457157 /nfs/dbraw/zinc/45/71/57/983457157.db2.gz GLMBAXQRRMLFSG-UHFFFAOYSA-N -1 0 336.413 2.900 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C1 ZINC001588432097 983467612 /nfs/dbraw/zinc/46/76/12/983467612.db2.gz YAFSEJHWBIWPHY-GFCCVEGCSA-N -1 0 346.383 2.669 20 30 EFEDRM C#CCC1(O)CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001588432149 983467695 /nfs/dbraw/zinc/46/76/95/983467695.db2.gz ZMJJIFZVMALPNI-UHFFFAOYSA-N -1 0 344.411 2.890 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588433935 983468395 /nfs/dbraw/zinc/46/83/95/983468395.db2.gz DAVVCUWKNFTPEF-QWHCGFSZSA-N -1 0 348.374 2.945 20 30 EFEDRM C#CCN(C(=S)NCCCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001588461561 983490272 /nfs/dbraw/zinc/49/02/72/983490272.db2.gz TWPREWNOLKSTLH-INIZCTEOSA-N -1 0 330.453 2.739 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001588465690 983495867 /nfs/dbraw/zinc/49/58/67/983495867.db2.gz CIEGXYYKDRKCMV-OAHLLOKOSA-N -1 0 337.803 2.743 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C(C)(C)C ZINC001588465750 983496141 /nfs/dbraw/zinc/49/61/41/983496141.db2.gz FVJCBWOUMZZUIT-UHFFFAOYSA-N -1 0 348.468 2.997 20 30 EFEDRM CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@H](C)c1ccc(C#N)cc1 ZINC001596143924 983498561 /nfs/dbraw/zinc/49/85/61/983498561.db2.gz XVTOEYWPEXKDKE-CYBMUJFWSA-N -1 0 337.379 2.804 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC001588469357 983501951 /nfs/dbraw/zinc/50/19/51/983501951.db2.gz GSSZTUBPLLJHPT-UHFFFAOYSA-N -1 0 329.327 2.630 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001588469590 983502150 /nfs/dbraw/zinc/50/21/50/983502150.db2.gz MBHXMRJDIQPSOL-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM C#CCOc1ccc(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001588497759 983541282 /nfs/dbraw/zinc/54/12/82/983541282.db2.gz ZNIGPUCUYCMCHQ-NQIIRXRSSA-N -1 0 349.386 2.573 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588497817 983541595 /nfs/dbraw/zinc/54/15/95/983541595.db2.gz DRKNJSNEFOPHPS-JTQLQIEISA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001588503998 983546149 /nfs/dbraw/zinc/54/61/49/983546149.db2.gz CTZRRTYCNOWSJP-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#CCOc1ccccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001588504678 983548577 /nfs/dbraw/zinc/54/85/77/983548577.db2.gz IPGUAZMOUAAJGO-UHFFFAOYSA-N -1 0 348.358 2.990 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001588509503 983553341 /nfs/dbraw/zinc/55/33/41/983553341.db2.gz IVHCDBKZWDFPOK-UHFFFAOYSA-N -1 0 340.383 2.577 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001588510599 983556204 /nfs/dbraw/zinc/55/62/04/983556204.db2.gz FPEKJRNUPAZJJR-LJQANCHMSA-N -1 0 325.339 2.623 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001588511533 983559917 /nfs/dbraw/zinc/55/99/17/983559917.db2.gz XYDBZABWJHRKEV-KRWDZBQOSA-N -1 0 328.412 2.997 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)nc1 ZINC001588516397 983560836 /nfs/dbraw/zinc/56/08/36/983560836.db2.gz JXFRNJBQCFTEBA-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001588517947 983566854 /nfs/dbraw/zinc/56/68/54/983566854.db2.gz KBXXTNRSZLVEQY-AWEZNQCLSA-N -1 0 326.274 2.539 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001588518217 983568525 /nfs/dbraw/zinc/56/85/25/983568525.db2.gz WIYVYKGAJWBPPS-HXUWFJFHSA-N -1 0 334.375 2.928 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001588522133 983569342 /nfs/dbraw/zinc/56/93/42/983569342.db2.gz DGABSPBKOSEQHN-OAQYLSRUSA-N -1 0 348.402 2.606 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001588522128 983569498 /nfs/dbraw/zinc/56/94/98/983569498.db2.gz CYDNEKGDIWBFJB-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C#Cc1cccc(C[NH2+][C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC001588522424 983571136 /nfs/dbraw/zinc/57/11/36/983571136.db2.gz XEFWJOUUEHEHNG-SFHVURJKSA-N -1 0 325.364 2.601 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001588524939 983576770 /nfs/dbraw/zinc/57/67/70/983576770.db2.gz ZJSVNQDQSVUGAV-QGZVFWFLSA-N -1 0 345.757 2.945 20 30 EFEDRM C=C(C)[C@H](NC(=O)NCCSCC(=O)[O-])c1ccc(F)c(F)c1 ZINC001588533875 983584702 /nfs/dbraw/zinc/58/47/02/983584702.db2.gz BMEKREDIUSEBTR-AWEZNQCLSA-N -1 0 344.383 2.699 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cccnc1SCCC(=O)[O-])OCC ZINC001588534511 983585762 /nfs/dbraw/zinc/58/57/62/983585762.db2.gz HHVZTZGGDUCBID-CYBMUJFWSA-N -1 0 338.429 2.958 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1c(F)c(OC)ccc1C(=O)[O-])OCC ZINC001588534708 983586745 /nfs/dbraw/zinc/58/67/45/983586745.db2.gz IERNCGZJIQWBLB-LBPRGKRZSA-N -1 0 325.336 2.842 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588535576 983589901 /nfs/dbraw/zinc/58/99/01/983589901.db2.gz JNFRUGDDYADLCU-SKDRFNHKSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588535586 983589985 /nfs/dbraw/zinc/58/99/85/983589985.db2.gz JQOLJVOKYWADEY-BDJLRTHQSA-N -1 0 343.383 2.969 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588536360 983593542 /nfs/dbraw/zinc/59/35/42/983593542.db2.gz ADODCKKMDVUHIA-QWHCGFSZSA-N -1 0 342.436 2.558 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588536708 983595239 /nfs/dbraw/zinc/59/52/39/983595239.db2.gz UENKSOIEJAETTC-YMTOWFKASA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001588536964 983596645 /nfs/dbraw/zinc/59/66/45/983596645.db2.gz WDGBDYWDFRMEFQ-LBPRGKRZSA-N -1 0 328.372 2.565 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588536959 983596768 /nfs/dbraw/zinc/59/67/68/983596768.db2.gz WBSJWPWGXJMYAZ-JQWIXIFHSA-N -1 0 337.397 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCOc1ccc(F)cc1Cl)C(=O)[O-] ZINC001588541154 983606303 /nfs/dbraw/zinc/60/63/03/983606303.db2.gz TXZRIIVFHBHMQV-GFCCVEGCSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588543578 983612020 /nfs/dbraw/zinc/61/20/20/983612020.db2.gz KPXQZTZBEOAKEQ-NSHDSACASA-N -1 0 326.736 2.706 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1sc(C)cc1Br)C(=O)[O-] ZINC001588544009 983613036 /nfs/dbraw/zinc/61/30/36/983613036.db2.gz RUNBDTSBFXFSSY-SNVBAGLBSA-N -1 0 346.246 2.897 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(OCc2ccccc2)ccn1)C(=O)[O-] ZINC001588546363 983615064 /nfs/dbraw/zinc/61/50/64/983615064.db2.gz ICEGTFCXKPKRES-KRWDZBQOSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588548970 983625986 /nfs/dbraw/zinc/62/59/86/983625986.db2.gz ZYAPYLDUYXWVEB-DLBZAZTESA-N -1 0 345.395 2.776 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588548978 983626006 /nfs/dbraw/zinc/62/60/06/983626006.db2.gz ZYAPYLDUYXWVEB-IRXDYDNUSA-N -1 0 345.395 2.776 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)C(=O)[O-] ZINC001588555283 983633754 /nfs/dbraw/zinc/63/37/54/983633754.db2.gz DHDGYIYZZHZHTA-CQSZACIVSA-N -1 0 339.457 2.990 20 30 EFEDRM C=C(C)CN(CC)C(=O)CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001588562879 983644244 /nfs/dbraw/zinc/64/42/44/983644244.db2.gz KJNHNMDMKDVFFO-UHFFFAOYSA-N -1 0 327.384 2.770 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(=O)[O-])s1 ZINC001588567114 983646144 /nfs/dbraw/zinc/64/61/44/983646144.db2.gz DKTOGALNNGFRRJ-UHFFFAOYSA-N -1 0 335.381 2.750 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001588567839 983647937 /nfs/dbraw/zinc/64/79/37/983647937.db2.gz UAZSCRVORKKDAA-UHFFFAOYSA-N -1 0 325.430 2.505 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588591440 983673001 /nfs/dbraw/zinc/67/30/01/983673001.db2.gz JEWFFTDETKPKGY-UPJWGTAASA-N -1 0 336.461 2.579 20 30 EFEDRM C=C(C)Cn1c([C@@H](O)CC)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588591566 983673430 /nfs/dbraw/zinc/67/34/30/983673430.db2.gz KLOMXBYOLRZHJO-AWEZNQCLSA-N -1 0 348.403 2.534 20 30 EFEDRM C=C(C)Cn1c(C2CC=CC2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591625 983673819 /nfs/dbraw/zinc/67/38/19/983673819.db2.gz KYNSDGXFIBUWKR-GOSISDBHSA-N -1 0 330.432 2.979 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588592171 983675958 /nfs/dbraw/zinc/67/59/58/983675958.db2.gz SPUNKXGTIQSTJD-ZNMIVQPWSA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588599142 983688239 /nfs/dbraw/zinc/68/82/39/983688239.db2.gz HBOASJBCMFCBDN-SUNYJGFJSA-N -1 0 348.447 2.785 20 30 EFEDRM C=C(CC)C(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588606234 983696796 /nfs/dbraw/zinc/69/67/96/983696796.db2.gz ZNBLUWBFKXLLJQ-OAHLLOKOSA-N -1 0 336.819 2.576 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001588612207 983702249 /nfs/dbraw/zinc/70/22/49/983702249.db2.gz KYMCHRCHKRKFLN-DTORHVGOSA-N -1 0 347.255 2.997 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001588615039 983709905 /nfs/dbraw/zinc/70/99/05/983709905.db2.gz IDVFSIWMOBSFHR-OAHLLOKOSA-N -1 0 333.384 2.788 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001588615408 983711712 /nfs/dbraw/zinc/71/17/12/983711712.db2.gz SSQBGQJLHINNIX-CABCVRRESA-N -1 0 335.400 2.895 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC001588619157 983715038 /nfs/dbraw/zinc/71/50/38/983715038.db2.gz MGYODMJYBVEVGU-YMTOWFKASA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1ccccc1Br ZINC001588619117 983715071 /nfs/dbraw/zinc/71/50/71/983715071.db2.gz LJFUSTKFFQTFCS-NSHDSACASA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001588619615 983717946 /nfs/dbraw/zinc/71/79/46/983717946.db2.gz ZLANVYQZOJLWEN-GFCCVEGCSA-N -1 0 337.173 2.551 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC001588621450 983719179 /nfs/dbraw/zinc/71/91/79/983719179.db2.gz DLVAKDONYXXWBW-HNNXBMFYSA-N -1 0 347.802 2.700 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C(C)=O)[C@@H]2C[C@@H]2C)cc1 ZINC001588629286 983736372 /nfs/dbraw/zinc/73/63/72/983736372.db2.gz FFCKYFUIOWTPCB-BLLLJJGKSA-N -1 0 330.384 2.807 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC001588629593 983738199 /nfs/dbraw/zinc/73/81/99/983738199.db2.gz NPVODOHIUSLZCA-UHFFFAOYSA-N -1 0 344.411 2.981 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC001588629763 983739027 /nfs/dbraw/zinc/73/90/27/983739027.db2.gz JVCANXGKTLDHKV-CQSZACIVSA-N -1 0 334.416 2.932 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC001588629788 983739392 /nfs/dbraw/zinc/73/93/92/983739392.db2.gz UGVYFRAMFDLKIJ-UHFFFAOYSA-N -1 0 340.383 2.641 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC001588629983 983740733 /nfs/dbraw/zinc/74/07/33/983740733.db2.gz YRGIBKBIYAREMV-UHFFFAOYSA-N -1 0 338.791 2.536 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588633537 983749964 /nfs/dbraw/zinc/74/99/64/983749964.db2.gz NWALZMAJTCJWDJ-OAHLLOKOSA-N -1 0 339.432 2.816 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001588633536 983750104 /nfs/dbraw/zinc/75/01/04/983750104.db2.gz NWALZMAJTCJWDJ-HNNXBMFYSA-N -1 0 339.432 2.816 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC001588633630 983750452 /nfs/dbraw/zinc/75/04/52/983750452.db2.gz LAXUNSKBVSIMKD-CVEARBPZSA-N -1 0 333.384 2.728 20 30 EFEDRM C=C(CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001588637108 983759125 /nfs/dbraw/zinc/75/91/25/983759125.db2.gz HDFCRMWWLKIDEJ-UHFFFAOYSA-N -1 0 337.441 2.654 20 30 EFEDRM C=C(Cl)CNC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588641381 983761950 /nfs/dbraw/zinc/76/19/50/983761950.db2.gz AQFADQIORATLCP-SECBINFHSA-N -1 0 329.809 2.749 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001588644243 983768727 /nfs/dbraw/zinc/76/87/27/983768727.db2.gz KJTSPCBWJNWUBG-AOOOYVTPSA-N -1 0 333.300 2.889 20 30 EFEDRM C=C[C@H](C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001588661834 983788048 /nfs/dbraw/zinc/78/80/48/983788048.db2.gz SSWOKCSTAVDPOR-YOEHRIQHSA-N -1 0 341.338 2.974 20 30 EFEDRM CCN(CCO)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001596340679 983788561 /nfs/dbraw/zinc/78/85/61/983788561.db2.gz JXWGVZSYLMJXEA-UHFFFAOYSA-N -1 0 342.395 2.612 20 30 EFEDRM C=C[C@H](C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC001588664054 983798171 /nfs/dbraw/zinc/79/81/71/983798171.db2.gz NCPSIPGVJOUBPI-ROUUACIJSA-N -1 0 337.375 2.700 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664245 983799396 /nfs/dbraw/zinc/79/93/96/983799396.db2.gz OYWZSQWLSUSNIA-ZFWWWQNUSA-N -1 0 346.427 2.829 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001588670050 983817677 /nfs/dbraw/zinc/81/76/77/983817677.db2.gz UVGUHUSOPBAWQV-INIZCTEOSA-N -1 0 343.452 2.567 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588672898 983827853 /nfs/dbraw/zinc/82/78/53/983827853.db2.gz DHAUMEHSVIZXAA-GFCCVEGCSA-N -1 0 334.420 2.708 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001588676852 983831473 /nfs/dbraw/zinc/83/14/73/983831473.db2.gz FWXZFRMFJWEMEA-UHFFFAOYSA-N -1 0 347.383 2.934 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001588677131 983834035 /nfs/dbraw/zinc/83/40/35/983834035.db2.gz SKPUVXIFPULGJX-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccccc1 ZINC001588691080 983878755 /nfs/dbraw/zinc/87/87/55/983878755.db2.gz QUIKFSXSRHGBHF-AWEZNQCLSA-N -1 0 342.395 2.568 20 30 EFEDRM CCN1C(=O)C(=NNc2cccc(F)c2C(=O)[O-])c2ccccc21 ZINC001596387838 983915915 /nfs/dbraw/zinc/91/59/15/983915915.db2.gz AUDNUCCURGYHKM-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM C=C[C@@H](OC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1)C(=O)[O-] ZINC001588705393 983926892 /nfs/dbraw/zinc/92/68/92/983926892.db2.gz MODULPQXUXERIN-OAHLLOKOSA-N -1 0 345.395 2.501 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)[O-] ZINC001588715015 983953945 /nfs/dbraw/zinc/95/39/45/983953945.db2.gz RIQCQMMUAZLJPM-VIFPVBQESA-N -1 0 344.318 2.634 20 30 EFEDRM C=C[C@@H](Sc1nnc(NCc2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588715349 983955020 /nfs/dbraw/zinc/95/50/20/983955020.db2.gz WNHDZUFDIACXKS-LLVKDONJSA-N -1 0 337.426 2.890 20 30 EFEDRM C=CC[C@H](C(=O)NCCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588721070 983971381 /nfs/dbraw/zinc/97/13/81/983971381.db2.gz LWSFUYWCDRQOQW-ZDUSSCGKSA-N -1 0 330.409 2.860 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588736125 984023621 /nfs/dbraw/zinc/02/36/21/984023621.db2.gz SVJDJGRUDVVYMO-LBPRGKRZSA-N -1 0 337.445 2.633 20 30 EFEDRM C=CCC(F)(F)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001588742849 984034635 /nfs/dbraw/zinc/03/46/35/984034635.db2.gz LUGIHLHOENFLKJ-UHFFFAOYSA-N -1 0 327.312 2.986 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588752654 984082372 /nfs/dbraw/zinc/08/23/72/984082372.db2.gz YZUVIDNGPQCELB-NEPJUHHUSA-N -1 0 332.274 2.965 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC001588757108 984101245 /nfs/dbraw/zinc/10/12/45/984101245.db2.gz VNBQRTFFEXMHMO-GLXFQSAKSA-N -1 0 335.331 2.606 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC001588757132 984101805 /nfs/dbraw/zinc/10/18/05/984101805.db2.gz WJQDHDZAZJKPBW-SSDOTTSWSA-N -1 0 326.399 2.610 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC001588757141 984101930 /nfs/dbraw/zinc/10/19/30/984101930.db2.gz WLJJCEHZXOLQIQ-CQSZACIVSA-N -1 0 333.384 2.535 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(Cl)ncc1Br)C(=O)[O-] ZINC001588757316 984102452 /nfs/dbraw/zinc/10/24/52/984102452.db2.gz YCDZUJSWNVPXIR-MRVPVSSYSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001588757958 984104273 /nfs/dbraw/zinc/10/42/73/984104273.db2.gz CUQNFMHKTHYNQO-SCSAIBSYSA-N -1 0 339.562 2.810 20 30 EFEDRM C=CC[C@H](Sc1nnc(-c2cccc(OC(C)C)c2)n1N)C(=O)[O-] ZINC001588757980 984104971 /nfs/dbraw/zinc/10/49/71/984104971.db2.gz DJQGYNCBUIOANI-ZDUSSCGKSA-N -1 0 348.428 2.568 20 30 EFEDRM C=CC[C@H](OC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O)C(=O)[O-] ZINC001588759472 984111355 /nfs/dbraw/zinc/11/13/55/984111355.db2.gz UTOQDOPUWSOKQO-AWEZNQCLSA-N -1 0 349.770 2.861 20 30 EFEDRM C=CC[C@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)[O-] ZINC001588759776 984113448 /nfs/dbraw/zinc/11/34/48/984113448.db2.gz ZUNXVDAUDIFZGC-AWEZNQCLSA-N -1 0 340.408 2.996 20 30 EFEDRM C=CCC1(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])CCCCC1 ZINC001588762933 984117260 /nfs/dbraw/zinc/11/72/60/984117260.db2.gz ODEFQYVVDQILDK-MRXNPFEDSA-N -1 0 330.428 2.968 20 30 EFEDRM C=CCC1(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])CCCC1 ZINC001588763257 984118752 /nfs/dbraw/zinc/11/87/52/984118752.db2.gz RBCINAUJNMIVNA-OAHLLOKOSA-N -1 0 335.375 2.910 20 30 EFEDRM C=CCC1(C(=O)OCC(=O)Nc2cc(C(=O)[O-])ccc2C)CCC1 ZINC001588764791 984123464 /nfs/dbraw/zinc/12/34/64/984123464.db2.gz JEYUKHADYOPGFR-UHFFFAOYSA-N -1 0 331.368 2.921 20 30 EFEDRM C=CCC1(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)CCOCC1 ZINC001588765307 984126195 /nfs/dbraw/zinc/12/61/95/984126195.db2.gz XAGCQVSAOIOXLC-UHFFFAOYSA-N -1 0 329.356 2.573 20 30 EFEDRM C=CCC1(CNC(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCC1 ZINC001588767311 984130125 /nfs/dbraw/zinc/13/01/25/984130125.db2.gz UJSAQIYXWFYWCD-UHFFFAOYSA-N -1 0 333.432 2.967 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2c(C)csc2C(=O)[O-])CCCC1 ZINC001588769231 984132917 /nfs/dbraw/zinc/13/29/17/984132917.db2.gz QUPQDGUSFXUMQG-UHFFFAOYSA-N -1 0 329.443 2.922 20 30 EFEDRM C=CCC1(NS(=O)(=O)C2CCC(C(=O)[O-])CC2)CCCCC1 ZINC001588769234 984132925 /nfs/dbraw/zinc/13/29/25/984132925.db2.gz QWHQNIPGEJEVHT-UHFFFAOYSA-N -1 0 329.462 2.828 20 30 EFEDRM C=CC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001588772227 984141938 /nfs/dbraw/zinc/14/19/38/984141938.db2.gz AVVPCIQKJISTAA-CYBMUJFWSA-N -1 0 330.384 2.624 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)c2occc2C(=O)[O-])CCCC1(C)C ZINC001588774110 984150945 /nfs/dbraw/zinc/15/09/45/984150945.db2.gz TWJVVCYJVZMRMY-GFCCVEGCSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588778513 984160797 /nfs/dbraw/zinc/16/07/97/984160797.db2.gz COBNSNDECWRKFF-CQSZACIVSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001588779037 984164060 /nfs/dbraw/zinc/16/40/60/984164060.db2.gz QWMNVUDDTDAKBK-CQSZACIVSA-N -1 0 328.372 2.947 20 30 EFEDRM C=CCC[C@@H](O)CN(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588779349 984165198 /nfs/dbraw/zinc/16/51/98/984165198.db2.gz WQGSKTBBWNMJJZ-SKDRFNHKSA-N -1 0 348.262 2.895 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001588779330 984165236 /nfs/dbraw/zinc/16/52/36/984165236.db2.gz WOBGKRORYQOHHD-MRXNPFEDSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588782742 984174255 /nfs/dbraw/zinc/17/42/55/984174255.db2.gz LYDQHSAUNXPNQO-RDTXWAMCSA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588787358 984187125 /nfs/dbraw/zinc/18/71/25/984187125.db2.gz VSVXJTUWOWDMPE-NSHDSACASA-N -1 0 329.393 2.855 20 30 EFEDRM C=CCCC[C@H](NC(=O)COc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001588788978 984195259 /nfs/dbraw/zinc/19/52/59/984195259.db2.gz UFYIJBILTOFVPP-ZDUSSCGKSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCCC[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001588788977 984195392 /nfs/dbraw/zinc/19/53/92/984195392.db2.gz UFYIJBILTOFVPP-CYBMUJFWSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC001588789132 984197044 /nfs/dbraw/zinc/19/70/44/984197044.db2.gz ZCGLDEWALBAUQO-OAHLLOKOSA-N -1 0 332.425 2.717 20 30 EFEDRM C=CCCC[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCC1)C(=O)[O-] ZINC001588789268 984197771 /nfs/dbraw/zinc/19/77/71/984197771.db2.gz ACUZDDRWFDLBMG-ZDUSSCGKSA-N -1 0 339.432 2.814 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCC1)C(=O)[O-] ZINC001588789267 984197798 /nfs/dbraw/zinc/19/77/98/984197798.db2.gz ACUZDDRWFDLBMG-CYBMUJFWSA-N -1 0 339.432 2.814 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC001588792416 984209466 /nfs/dbraw/zinc/20/94/66/984209466.db2.gz GVBCEMUJRQVUHI-NSHDSACASA-N -1 0 331.328 2.615 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001588792431 984209499 /nfs/dbraw/zinc/20/94/99/984209499.db2.gz HCWJHRWAWLKEOB-AWEZNQCLSA-N -1 0 339.351 2.753 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2nnc(C)o2)cc1)C(=O)[O-] ZINC001588792477 984210229 /nfs/dbraw/zinc/21/02/29/984210229.db2.gz IIWFJJAMJXTKMC-AWEZNQCLSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC001588792755 984213158 /nfs/dbraw/zinc/21/31/58/984213158.db2.gz DIYJALNWNLMBEM-GDBMZVCRSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)NC(C)C)cc1)C(=O)[O-] ZINC001588793150 984216358 /nfs/dbraw/zinc/21/63/58/984216358.db2.gz LNUMOYUBYOHYBG-OAHLLOKOSA-N -1 0 347.415 2.756 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1)C(=O)[O-] ZINC001588793130 984216610 /nfs/dbraw/zinc/21/66/10/984216610.db2.gz TXCYGFWLUJXRCA-ZDUSSCGKSA-N -1 0 348.399 2.576 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)C(=O)[O-] ZINC001588793241 984216941 /nfs/dbraw/zinc/21/69/41/984216941.db2.gz NCICNNHXULHOMN-CQSZACIVSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(=O)[O-] ZINC001588793297 984217940 /nfs/dbraw/zinc/21/79/40/984217940.db2.gz VURGUXRJJZQBRZ-KRWDZBQOSA-N -1 0 339.395 2.991 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1)C(=O)[O-] ZINC001588793395 984218780 /nfs/dbraw/zinc/21/87/80/984218780.db2.gz XCUBHHTWNJZXLU-CQSZACIVSA-N -1 0 342.399 2.573 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C(F)F)nc2ccccn21)C(=O)[O-] ZINC001588794046 984224151 /nfs/dbraw/zinc/22/41/51/984224151.db2.gz JVTJNNKLXACVFV-JTQLQIEISA-N -1 0 337.326 2.811 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)onc1-c1ccncc1)C(=O)[O-] ZINC001588794028 984224228 /nfs/dbraw/zinc/22/42/28/984224228.db2.gz JMAOOQMYERANBQ-CYBMUJFWSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC001588797263 984228835 /nfs/dbraw/zinc/22/88/35/984228835.db2.gz AHIFUJOYFXAJBL-OAHLLOKOSA-N -1 0 340.379 2.980 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncoc1CCC(F)(F)F)C(=O)[O-] ZINC001588797329 984229265 /nfs/dbraw/zinc/22/92/65/984229265.db2.gz CUTMYQNLGCVUID-SECBINFHSA-N -1 0 334.294 2.709 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1nc(Br)ccc1F)C(=O)[O-] ZINC001588797346 984229490 /nfs/dbraw/zinc/22/94/90/984229490.db2.gz CXOWJHRYANXQQF-VIFPVBQESA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC001588798057 984233407 /nfs/dbraw/zinc/23/34/07/984233407.db2.gz SCJURMPLOZZIOP-OAHLLOKOSA-N -1 0 325.430 2.532 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588798935 984239732 /nfs/dbraw/zinc/23/97/32/984239732.db2.gz VOMBSTVZFFYVFW-XHSDSOJGSA-N -1 0 337.441 2.867 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001588801407 984245453 /nfs/dbraw/zinc/24/54/53/984245453.db2.gz LHCAFDGVKJFHPW-UHFFFAOYSA-N -1 0 332.400 2.755 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588801739 984247672 /nfs/dbraw/zinc/24/76/72/984247672.db2.gz YEIHKNHJPWNPBT-UHFFFAOYSA-N -1 0 346.427 2.802 20 30 EFEDRM C=CCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588803987 984253076 /nfs/dbraw/zinc/25/30/76/984253076.db2.gz RZPGALNBULTJFW-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001588810553 984268174 /nfs/dbraw/zinc/26/81/74/984268174.db2.gz XUPPGRVUSAQMHX-UHFFFAOYSA-N -1 0 347.411 2.869 20 30 EFEDRM C=CCCOCC(=O)OCc1cc(Br)ccc1C(=O)[O-] ZINC001588810584 984268589 /nfs/dbraw/zinc/26/85/89/984268589.db2.gz ZCSASRTUPKTTAK-UHFFFAOYSA-N -1 0 343.173 2.783 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)Oc2cnccc2C(=O)[O-])cc1 ZINC001588814539 984270793 /nfs/dbraw/zinc/27/07/93/984270793.db2.gz CWVWJJPUPLRSAW-UHFFFAOYSA-N -1 0 333.365 2.666 20 30 EFEDRM C=CCCSCCNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588814638 984271509 /nfs/dbraw/zinc/27/15/09/984271509.db2.gz JBSGLSUTFYKAPX-UHFFFAOYSA-N -1 0 329.809 2.864 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588814688 984272148 /nfs/dbraw/zinc/27/21/48/984272148.db2.gz LVTFRCXEXMEVPK-UHFFFAOYSA-N -1 0 349.861 2.626 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001588814895 984274052 /nfs/dbraw/zinc/27/40/52/984274052.db2.gz XOMWTCRXRLDJLO-GOEBONIOSA-N -1 0 337.441 2.727 20 30 EFEDRM C=CCN(CC=C)C(=O)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001588825397 984300918 /nfs/dbraw/zinc/30/09/18/984300918.db2.gz OFSABMSFCBJUPK-INIZCTEOSA-N -1 0 333.453 2.925 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588826488 984303611 /nfs/dbraw/zinc/30/36/11/984303611.db2.gz GALDWPGAPCTRLU-UHFFFAOYSA-N -1 0 331.393 2.901 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588829373 984314078 /nfs/dbraw/zinc/31/40/78/984314078.db2.gz WUQBRAKSTNWVMQ-UHFFFAOYSA-N -1 0 334.397 2.980 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)s1 ZINC001588849541 984372044 /nfs/dbraw/zinc/37/20/44/984372044.db2.gz YAFWFIRANNGWHW-UHFFFAOYSA-N -1 0 333.369 2.700 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001588859909 984409098 /nfs/dbraw/zinc/40/90/98/984409098.db2.gz BBRRWDUTTZBLEI-CYBMUJFWSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC001588861722 984416479 /nfs/dbraw/zinc/41/64/79/984416479.db2.gz LADDSLWVSSMKIB-GOSISDBHSA-N -1 0 339.391 2.663 20 30 EFEDRM C=CCOCCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588869056 984437589 /nfs/dbraw/zinc/43/75/89/984437589.db2.gz OZCLQNKFACABFM-UHFFFAOYSA-N -1 0 347.415 2.699 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001588873470 984444322 /nfs/dbraw/zinc/44/43/22/984444322.db2.gz AZPCXTQBPQGNOW-GOSISDBHSA-N -1 0 343.354 2.875 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001588873772 984445799 /nfs/dbraw/zinc/44/57/99/984445799.db2.gz LJJHZDHTMZYWQM-UHFFFAOYSA-N -1 0 340.379 2.949 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc1OC ZINC001588874987 984449918 /nfs/dbraw/zinc/44/99/18/984449918.db2.gz OKRPYXMSSYNPBE-UHFFFAOYSA-N -1 0 342.351 2.793 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1OC ZINC001588874979 984450067 /nfs/dbraw/zinc/45/00/67/984450067.db2.gz NOVKYPLMJASIGM-OCCSQVGLSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001588878986 984456096 /nfs/dbraw/zinc/45/60/96/984456096.db2.gz QEMWYYVQPIHRHW-UHFFFAOYSA-N -1 0 334.278 2.875 20 30 EFEDRM C=CCSc1ccccc1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001588879699 984458450 /nfs/dbraw/zinc/45/84/50/984458450.db2.gz IYRWHVXKAKLVHJ-UHFFFAOYSA-N -1 0 328.393 2.988 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCOC[C@@H]1C ZINC001588882556 984463980 /nfs/dbraw/zinc/46/39/80/984463980.db2.gz YPQNHCVUTUAINI-FZMZJTMJSA-N -1 0 334.368 2.700 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1occc1C(=O)[O-] ZINC001588886992 984474819 /nfs/dbraw/zinc/47/48/19/984474819.db2.gz WXPPYFJGMLXTIC-UHFFFAOYSA-N -1 0 326.301 2.613 20 30 EFEDRM C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588889059 984477194 /nfs/dbraw/zinc/47/71/94/984477194.db2.gz JQQHGIFVCUHLQU-UHFFFAOYSA-N -1 0 344.390 2.880 20 30 EFEDRM C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588889418 984479529 /nfs/dbraw/zinc/47/95/29/984479529.db2.gz UKTCPGGKHDQRPF-OAHLLOKOSA-N -1 0 349.394 2.590 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588889752 984481269 /nfs/dbraw/zinc/48/12/69/984481269.db2.gz COERQKBLFGFYMC-GOSISDBHSA-N -1 0 344.390 2.961 20 30 EFEDRM C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588889821 984481973 /nfs/dbraw/zinc/48/19/73/984481973.db2.gz FEGHOKSMOMOXJG-CYBMUJFWSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588895238 984491443 /nfs/dbraw/zinc/49/14/43/984491443.db2.gz ARYUGRGSTWFPNP-UHFFFAOYSA-N -1 0 326.400 2.848 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588895547 984494410 /nfs/dbraw/zinc/49/44/10/984494410.db2.gz IEULKVHIMRQVJK-QWHCGFSZSA-N -1 0 348.353 2.706 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC(CC(=O)[O-])CC2)c1=S ZINC001588895992 984497849 /nfs/dbraw/zinc/49/78/49/984497849.db2.gz DDMZRZWVLZLTIX-UHFFFAOYSA-N -1 0 336.461 2.622 20 30 EFEDRM C=CCn1c(C2CC2)nnc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588896542 984502512 /nfs/dbraw/zinc/50/25/12/984502512.db2.gz KPSFZOWFWJPKJS-HZPDHXFCSA-N -1 0 338.411 2.646 20 30 EFEDRM C=CCn1c(C2CCC2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588897224 984508554 /nfs/dbraw/zinc/50/85/54/984508554.db2.gz OZUPFEFGDCDHBC-UHFFFAOYSA-N -1 0 338.411 2.993 20 30 EFEDRM C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588897223 984508797 /nfs/dbraw/zinc/50/87/97/984508797.db2.gz IHASBNFLUWYBPJ-LSDHHAIUSA-N -1 0 332.448 2.600 20 30 EFEDRM C=CCn1c([C@H](C)c2ccsc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588897358 984509922 /nfs/dbraw/zinc/50/99/22/984509922.db2.gz YIDILBMTXICQHD-PXAZEXFGSA-N -1 0 346.456 2.978 20 30 EFEDRM C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588897732 984513015 /nfs/dbraw/zinc/51/30/15/984513015.db2.gz NMVRRDXWBLTINB-AWEZNQCLSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CCn1c(CCC)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588898411 984518556 /nfs/dbraw/zinc/51/85/56/984518556.db2.gz XTSHFEHCOZGBBM-UHFFFAOYSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588904121 984527156 /nfs/dbraw/zinc/52/71/56/984527156.db2.gz HYBVAMMBQBNLOK-QZTJIDSGSA-N -1 0 346.431 2.695 20 30 EFEDRM C=CCn1c(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001588904604 984531237 /nfs/dbraw/zinc/53/12/37/984531237.db2.gz XHBAPNYYJLBIMY-CYBMUJFWSA-N -1 0 345.447 2.592 20 30 EFEDRM C=CCn1c(N2CCc3c(cccc3C(=O)[O-])C2)nnc1C(C)(C)F ZINC001588904751 984532211 /nfs/dbraw/zinc/53/22/11/984532211.db2.gz BABKSPJKAMGDCL-UHFFFAOYSA-N -1 0 344.390 2.930 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1ccccc1 ZINC001588907192 984538059 /nfs/dbraw/zinc/53/80/59/984538059.db2.gz GSOFLJGXFFCQKI-UHFFFAOYSA-N -1 0 331.397 2.657 20 30 EFEDRM C=CCn1c(Sc2ccc(C(=O)[O-])nn2)nnc1-c1ccoc1C ZINC001588907294 984539010 /nfs/dbraw/zinc/53/90/10/984539010.db2.gz HYWCOGHARIEQEX-UHFFFAOYSA-N -1 0 343.368 2.672 20 30 EFEDRM C=CCn1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)nn1 ZINC001588910362 984549209 /nfs/dbraw/zinc/54/92/09/984549209.db2.gz SPAMKFHMTPZCIL-UHFFFAOYSA-N -1 0 347.400 2.529 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H]3CCC[C@H]3C(=O)[O-])cc21 ZINC001588912924 984553167 /nfs/dbraw/zinc/55/31/67/984553167.db2.gz SSLCQQFNDJVMHO-KGLIPLIRSA-N -1 0 328.372 2.597 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001588914200 984557475 /nfs/dbraw/zinc/55/74/75/984557475.db2.gz QFPNUPABHGFGLD-OAGGEKHMSA-N -1 0 332.400 2.544 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588914505 984558884 /nfs/dbraw/zinc/55/88/84/984558884.db2.gz ZBYCFNKERAKTCN-YPMHNXCESA-N -1 0 326.299 2.518 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588917895 984568124 /nfs/dbraw/zinc/56/81/24/984568124.db2.gz HKMMVGYSOPUTGB-WFASDCNBSA-N -1 0 348.399 2.885 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1 ZINC001596634702 984622330 /nfs/dbraw/zinc/62/23/30/984622330.db2.gz UTCIJBRFEODGBF-FPLPWBNLSA-N -1 0 328.320 2.980 20 30 EFEDRM CC(=NOCc1nc2c(o1)CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC001589020658 985008068 /nfs/dbraw/zinc/00/80/68/985008068.db2.gz DPSJDVHVVFZAOF-UHFFFAOYSA-N -1 0 344.367 2.958 20 30 EFEDRM CC(=NOCCOc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589020898 985008869 /nfs/dbraw/zinc/00/88/69/985008869.db2.gz HBKRYFSALXKOSU-UHFFFAOYSA-N -1 0 329.352 2.970 20 30 EFEDRM CC(=NOCC(=O)Nc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021116 985009939 /nfs/dbraw/zinc/00/99/39/985009939.db2.gz KVVYMDYJZAWOTP-UHFFFAOYSA-N -1 0 342.351 2.529 20 30 EFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2cc(C)c(C(=O)[O-])o2)C1 ZINC001589056183 985162995 /nfs/dbraw/zinc/16/29/95/985162995.db2.gz KMVIPBFNOCSMMF-ZSOIEALJSA-N -1 0 339.347 2.915 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2sccc2C#N)c(C)c1C(=O)[O-] ZINC001599948296 985566146 /nfs/dbraw/zinc/56/61/46/985566146.db2.gz LZLFMSQSZRQPIO-VIFPVBQESA-N -1 0 346.364 2.691 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC001599954679 985668377 /nfs/dbraw/zinc/66/83/77/985668377.db2.gz QHKHUKPMOCNHJM-UHFFFAOYSA-N -1 0 337.379 2.594 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001589205932 985673694 /nfs/dbraw/zinc/67/36/94/985673694.db2.gz QVLIVAKZCNSBNT-UHFFFAOYSA-N -1 0 338.319 2.572 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)O[C@H]2CC[C@@](C)(C#N)CC2)c(C(=O)[O-])c1C ZINC001589248790 985863595 /nfs/dbraw/zinc/86/35/95/985863595.db2.gz VGZCPQVLQXKGTO-HEHXSTRBSA-N -1 0 346.383 2.782 20 30 EFEDRM CC(=O)c1c(C)cc(C)c(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1C ZINC001589253909 985880908 /nfs/dbraw/zinc/88/09/08/985880908.db2.gz BZDGNKSDTYLFAV-UHFFFAOYSA-N -1 0 338.363 2.594 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001599973048 986041186 /nfs/dbraw/zinc/04/11/86/986041186.db2.gz FUFPHHQSMCIUAM-QGZVFWFLSA-N -1 0 336.347 2.527 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599973157 986042905 /nfs/dbraw/zinc/04/29/05/986042905.db2.gz KNSJIPZXEAUWGG-GFCCVEGCSA-N -1 0 341.392 2.651 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589324249 986155248 /nfs/dbraw/zinc/15/52/48/986155248.db2.gz ZJCQKLBYWCDKDE-FQEVSTJZSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001589329056 986160194 /nfs/dbraw/zinc/16/01/94/986160194.db2.gz IANUJECKMZYYIV-VIFPVBQESA-N -1 0 341.314 2.652 20 30 EFEDRM C[C@H](C#N)N(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC001589331414 986185003 /nfs/dbraw/zinc/18/50/03/986185003.db2.gz DHUHRCAJEHHKHL-MRVPVSSYSA-N -1 0 337.173 2.664 20 30 EFEDRM CC(C)[C@H](NC(=O)CNc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC001589331828 986192330 /nfs/dbraw/zinc/19/23/30/986192330.db2.gz PZSWNOTXWVVAMV-WBMJQRKESA-N -1 0 349.456 2.576 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1C#N ZINC001594569363 986380086 /nfs/dbraw/zinc/38/00/86/986380086.db2.gz PNLIKQDJBNDGPQ-OAHLLOKOSA-N -1 0 335.407 2.967 20 30 EFEDRM CCOc1cc(F)cc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)c1 ZINC001597036270 986475950 /nfs/dbraw/zinc/47/59/50/986475950.db2.gz BHYGVAIANOPYPJ-VZUCSPMQSA-N -1 0 330.315 2.789 20 30 EFEDRM CCOc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001597055804 986534772 /nfs/dbraw/zinc/53/47/72/986534772.db2.gz KGVHPKZHXKRVRZ-HYXAFXHYSA-N -1 0 330.296 2.916 20 30 EFEDRM CCOc1ccc(C=NOCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597082384 986635590 /nfs/dbraw/zinc/63/55/90/986635590.db2.gz LPAKCCNDTQQLHG-UHFFFAOYSA-N -1 0 344.367 2.962 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001597107318 986755028 /nfs/dbraw/zinc/75/50/28/986755028.db2.gz YTLQSWRKJASZDS-UHFFFAOYSA-N -1 0 339.351 2.739 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1 ZINC001589461205 986909841 /nfs/dbraw/zinc/90/98/41/986909841.db2.gz BLBXMKRWBFCNFB-QMTHXVAHSA-N -1 0 343.770 2.798 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1 ZINC001589461204 986910132 /nfs/dbraw/zinc/91/01/32/986910132.db2.gz BLBXMKRWBFCNFB-IINYFYTJSA-N -1 0 343.770 2.798 20 30 EFEDRM C/C=C\C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001594685218 987052788 /nfs/dbraw/zinc/05/27/88/987052788.db2.gz ATUUFUJWNKQGRW-XQJDBVBESA-N -1 0 348.424 2.623 20 30 EFEDRM CC[C@H](C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001594721925 987207225 /nfs/dbraw/zinc/20/72/25/987207225.db2.gz HAQLEJMHJVQGRA-GMSGAONNSA-N -1 0 345.218 2.644 20 30 EFEDRM CC[C@@H](C#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001594721931 987207316 /nfs/dbraw/zinc/20/73/16/987207316.db2.gz HAQLEJMHJVQGRA-XVKPBYJWSA-N -1 0 345.218 2.644 20 30 EFEDRM CC[C@H](C#N)[C@@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cccs1 ZINC001594722421 987212409 /nfs/dbraw/zinc/21/24/09/987212409.db2.gz PAZFTTAWHSDCDJ-GGFUIZRSSA-N -1 0 337.397 2.760 20 30 EFEDRM CC[C@H](C#N)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001594722399 987212580 /nfs/dbraw/zinc/21/25/80/987212580.db2.gz OOEAZLQTDZNWGI-ZCFIWIBFSA-N -1 0 343.202 2.601 20 30 EFEDRM CC[C@@H](C#N)[C@@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cccs1 ZINC001594722423 987212669 /nfs/dbraw/zinc/21/26/69/987212669.db2.gz PAZFTTAWHSDCDJ-NARNDRFESA-N -1 0 337.397 2.760 20 30 EFEDRM CC[C@H](C#N)N(C)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594722840 987217592 /nfs/dbraw/zinc/21/75/92/987217592.db2.gz WWYBGQYGVJGYLC-LLVKDONJSA-N -1 0 325.162 2.521 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC001589532874 987220057 /nfs/dbraw/zinc/22/00/57/987220057.db2.gz HOZUDYNQRDFSGA-ZDUSSCGKSA-N -1 0 338.363 2.958 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C(=O)[O-])co2)c1 ZINC001594724723 987222699 /nfs/dbraw/zinc/22/26/99/987222699.db2.gz BWURXIFYOHRNRB-CYBMUJFWSA-N -1 0 328.324 2.589 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC001589533260 987224582 /nfs/dbraw/zinc/22/45/82/987224582.db2.gz LCHPKXKNBBOXSH-NSHDSACASA-N -1 0 327.344 2.629 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001594725194 987228130 /nfs/dbraw/zinc/22/81/30/987228130.db2.gz NRSNLIKXEIUTBA-ZDUSSCGKSA-N -1 0 336.351 2.945 20 30 EFEDRM CC(C)(C#N)C(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001589554069 987297730 /nfs/dbraw/zinc/29/77/30/987297730.db2.gz UHEHKJHFGPAIGZ-UHFFFAOYSA-N -1 0 326.146 2.740 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC001589557719 987306700 /nfs/dbraw/zinc/30/67/00/987306700.db2.gz GJSIRTRLKWYMHV-UHFFFAOYSA-N -1 0 329.381 2.572 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC001589557705 987306756 /nfs/dbraw/zinc/30/67/56/987306756.db2.gz FZDVDBBQZOYWDX-IMJJTQAJSA-N -1 0 326.396 2.813 20 30 EFEDRM CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001589563484 987324510 /nfs/dbraw/zinc/32/45/10/987324510.db2.gz BWJSLZXREKSJQQ-KXBFYZLASA-N -1 0 326.396 2.549 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001589591888 987398679 /nfs/dbraw/zinc/39/86/79/987398679.db2.gz NWXSPLVKHSMMIF-INIZCTEOSA-N -1 0 344.411 2.665 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001589610218 987456920 /nfs/dbraw/zinc/45/69/20/987456920.db2.gz NUMQUMANRYKPAZ-MRXNPFEDSA-N -1 0 343.427 2.785 20 30 EFEDRM CC(C)(C)C#CC(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001589684238 987720949 /nfs/dbraw/zinc/72/09/49/987720949.db2.gz BWIWKLQXGFHJAA-LLVKDONJSA-N -1 0 341.329 2.655 20 30 EFEDRM CCc1cc(C#N)ccc1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001597424630 987748769 /nfs/dbraw/zinc/74/87/69/987748769.db2.gz VGEIEEWEDBNWNA-UHFFFAOYSA-N -1 0 340.291 2.946 20 30 EFEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc2ccccc2n1CC#N ZINC001589705124 987818789 /nfs/dbraw/zinc/81/87/89/987818789.db2.gz XFKDQAGKQDLVEN-HNNXBMFYSA-N -1 0 327.384 2.784 20 30 EFEDRM CC(C)(C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC001589745212 988034061 /nfs/dbraw/zinc/03/40/61/988034061.db2.gz BLEFQYIWRDBLTI-CQSZACIVSA-N -1 0 334.441 2.797 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001597508196 988084749 /nfs/dbraw/zinc/08/47/49/988084749.db2.gz GISFODFJTYGHSK-MRXNPFEDSA-N -1 0 325.368 2.623 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001597509144 988090623 /nfs/dbraw/zinc/09/06/23/988090623.db2.gz YNMHMJRSPLKOBR-GVDBMIGSSA-N -1 0 344.411 2.542 20 30 EFEDRM CCc1ccc([C@@H]2CN(c3ccc(C(=O)[O-])nc3C#N)CCO2)cc1 ZINC001597520222 988149761 /nfs/dbraw/zinc/14/97/61/988149761.db2.gz RXMLFZARORCQHY-SFHVURJKSA-N -1 0 337.379 2.792 20 30 EFEDRM CSc1cc(C)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599807203 988274904 /nfs/dbraw/zinc/27/49/04/988274904.db2.gz LHDHJZIIFRIHKA-UHFFFAOYSA-N -1 0 333.413 2.939 20 30 EFEDRM CSc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc1N ZINC001599808795 988299273 /nfs/dbraw/zinc/29/92/73/988299273.db2.gz STXCMDMGUIHKAM-UHFFFAOYSA-N -1 0 342.376 2.918 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001599810687 988330035 /nfs/dbraw/zinc/33/00/35/988330035.db2.gz DTKKAMTWKGJKIW-AWEZNQCLSA-N -1 0 329.381 2.554 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])nc2)cc1C#N ZINC001599813110 988372027 /nfs/dbraw/zinc/37/20/27/988372027.db2.gz MZXNXUFCSWPDLT-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM CSc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2)cc1C#N ZINC001599813620 988382213 /nfs/dbraw/zinc/38/22/13/988382213.db2.gz ZVARUOPSFZXHAB-UHFFFAOYSA-N -1 0 326.377 2.908 20 30 EFEDRM CCc1cccc(C)c1NC(=S)NN=Cc1cccn1CC(=O)[O-] ZINC001597581026 988384675 /nfs/dbraw/zinc/38/46/75/988384675.db2.gz LZYCIKFBCOXCQW-UHFFFAOYSA-N -1 0 344.440 2.764 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597584490 988389949 /nfs/dbraw/zinc/38/99/49/988389949.db2.gz CINQJGOWBMMUPU-ZNMIVQPWSA-N -1 0 342.395 2.570 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001597593034 988425095 /nfs/dbraw/zinc/42/50/95/988425095.db2.gz LHIRDWHOZXRNMO-UHFFFAOYSA-N -1 0 348.355 2.759 20 30 EFEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccccc1OCC#N ZINC001599832031 988688364 /nfs/dbraw/zinc/68/83/64/988688364.db2.gz IFSHMYDIKGHJCH-AWEZNQCLSA-N -1 0 338.363 2.704 20 30 EFEDRM CCc1nc(C(C)C)ccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597651867 988694411 /nfs/dbraw/zinc/69/44/11/988694411.db2.gz FDKOSLOWVKALHA-UHFFFAOYSA-N -1 0 329.400 2.598 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC001599833865 988714675 /nfs/dbraw/zinc/71/46/75/988714675.db2.gz GPIBYSAQHLFCMY-JTQLQIEISA-N -1 0 344.396 2.590 20 30 EFEDRM CCc1nn(C)c(Cl)c1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001597717790 988989855 /nfs/dbraw/zinc/98/98/55/988989855.db2.gz IABMWBSOPYIBNL-UHFFFAOYSA-N -1 0 346.770 2.543 20 30 EFEDRM CCc1nn(Cc2cccc(C(=O)[O-])c2Cl)c(=O)c(C#N)c1CC ZINC001597724702 989023080 /nfs/dbraw/zinc/02/30/80/989023080.db2.gz UONYEKNWTCHQGX-UHFFFAOYSA-N -1 0 345.786 2.640 20 30 EFEDRM CCc1nnc(CON=C(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001597731302 989053471 /nfs/dbraw/zinc/05/34/71/989053471.db2.gz ZQBPTUFBCNZMDX-UHFFFAOYSA-N -1 0 335.385 2.505 20 30 EFEDRM CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597850221 989586896 /nfs/dbraw/zinc/58/68/96/989586896.db2.gz KVFCMZRWRGVULU-CYBMUJFWSA-N -1 0 347.463 2.717 20 30 EFEDRM CC(C)(C)OC(=O)NCc1ccc(CN(CC#N)CCC(=O)[O-])cc1 ZINC001590223735 989592508 /nfs/dbraw/zinc/59/25/08/989592508.db2.gz HJQDLIUPQANURK-UHFFFAOYSA-N -1 0 347.415 2.512 20 30 EFEDRM CCn1c(CCCCC#N)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597851139 989597095 /nfs/dbraw/zinc/59/70/95/989597095.db2.gz UIRHQMCCMVBQIA-CQSZACIVSA-N -1 0 347.463 2.862 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001597860003 989632602 /nfs/dbraw/zinc/63/26/02/989632602.db2.gz GUWDDHUYQQWVGA-UHFFFAOYSA-N -1 0 348.362 2.807 20 30 EFEDRM CC(C)(C)OC(=O)[C@H]1CC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001590358164 989802251 /nfs/dbraw/zinc/80/22/51/989802251.db2.gz VMUULYRYRSGPAJ-WDEREUQCSA-N -1 0 331.372 2.574 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=S)NCCCC(=O)[O-])cc1C#N ZINC001590410122 989951990 /nfs/dbraw/zinc/95/19/90/989951990.db2.gz YXDOTVCDKJPEDP-UHFFFAOYSA-N -1 0 335.429 2.887 20 30 EFEDRM CN(C(=O)C#CC1CC1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001597981841 990047822 /nfs/dbraw/zinc/04/78/22/990047822.db2.gz GTPMJJAMFBQHNH-LBPRGKRZSA-N -1 0 342.214 2.508 20 30 EFEDRM CC(C)(C)c1ccc(CSCC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001590487235 990086893 /nfs/dbraw/zinc/08/68/93/990086893.db2.gz ITYOOVPHNLWIQJ-UHFFFAOYSA-N -1 0 334.441 2.654 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001598072566 990370579 /nfs/dbraw/zinc/37/05/79/990370579.db2.gz MIOIJGYWTOGPEM-UHFFFAOYSA-N -1 0 349.346 2.780 20 30 EFEDRM CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)C1(C(=O)[O-])CCCCC1 ZINC001598088254 990424434 /nfs/dbraw/zinc/42/44/34/990424434.db2.gz ILBBPPFFLPALIE-UHFFFAOYSA-N -1 0 325.368 2.899 20 30 EFEDRM CC(C)(CSCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC001590812304 990644063 /nfs/dbraw/zinc/64/40/63/990644063.db2.gz MCTMGWXWFXYTAC-UHFFFAOYSA-N -1 0 326.805 2.994 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001590821839 990659643 /nfs/dbraw/zinc/65/96/43/990659643.db2.gz DSBHFPNCFBLBKM-JKSUJKDBSA-N -1 0 343.427 2.822 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590905440 990869880 /nfs/dbraw/zinc/86/98/80/990869880.db2.gz YPHJFHOATLHMQP-OCVGTWLNSA-N -1 0 343.379 2.758 20 30 EFEDRM COc1cccc2c(N3CCC(C#N)(C(=O)[O-])CC3)cc(C)nc12 ZINC001599689289 991039775 /nfs/dbraw/zinc/03/97/75/991039775.db2.gz ILUYSGUIHQQZCP-UHFFFAOYSA-N -1 0 325.368 2.747 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC001598288610 991197079 /nfs/dbraw/zinc/19/70/79/991197079.db2.gz ZQPIFHYMXCGESP-UHFFFAOYSA-N -1 0 342.326 2.819 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccccc1C#N ZINC001598293886 991213149 /nfs/dbraw/zinc/21/31/49/991213149.db2.gz UDOZYZFLVMNWRX-CSKARUKUSA-N -1 0 335.363 2.974 20 30 EFEDRM CN(C)c1ccc(OC(=O)/C=C/c2ccccc2C#N)cc1C(=O)[O-] ZINC001598328757 991354948 /nfs/dbraw/zinc/35/49/48/991354948.db2.gz ARJOEHQHGMMVCJ-JXMROGBWSA-N -1 0 336.347 2.941 20 30 EFEDRM COc1ccccc1N=C1SCCN1C(=O)C[C@@H](C)CC(=O)[O-] ZINC001599714860 991435376 /nfs/dbraw/zinc/43/53/76/991435376.db2.gz KZIQYSILSNOVGX-LLVKDONJSA-N -1 0 336.413 2.759 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc(C(=O)[O-])co1 ZINC001591051780 991452461 /nfs/dbraw/zinc/45/24/61/991452461.db2.gz HSHKFPYKJQOKAF-MRXNPFEDSA-N -1 0 342.351 2.569 20 30 EFEDRM COc1ccccc1OCCN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001599716382 991463046 /nfs/dbraw/zinc/46/30/46/991463046.db2.gz OCMINMIRLCHZMP-UHFFFAOYSA-N -1 0 340.379 2.776 20 30 EFEDRM COc1nc(Cl)c(/C=C\C(=O)c2cc(C(=O)[O-])cs2)n1C ZINC001599729728 991690955 /nfs/dbraw/zinc/69/09/55/991690955.db2.gz DOXLSXXYMSFLNQ-ARJAWSKDSA-N -1 0 326.761 2.738 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccsc1C(=O)[O-] ZINC001598497940 992389892 /nfs/dbraw/zinc/38/98/92/992389892.db2.gz KRBSMKBRRDLSQN-UHFFFAOYSA-N -1 0 344.392 2.607 20 30 EFEDRM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598506770 992513541 /nfs/dbraw/zinc/51/35/41/992513541.db2.gz KQSCHUBXRLHICH-UHFFFAOYSA-N -1 0 326.400 2.909 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001591431476 992524238 /nfs/dbraw/zinc/52/42/38/992524238.db2.gz DTEVMFOKZFFJCQ-AWEZNQCLSA-N -1 0 328.372 2.539 20 30 EFEDRM CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507769 992659999 /nfs/dbraw/zinc/65/99/99/992659999.db2.gz HYDNUQSWKUXSNR-HUUCEWRRSA-N -1 0 345.447 2.642 20 30 EFEDRM CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001591513936 992671864 /nfs/dbraw/zinc/67/18/64/992671864.db2.gz MAPRBAQGPVYSNR-GOSISDBHSA-N -1 0 347.463 2.717 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001591596796 992825473 /nfs/dbraw/zinc/82/54/73/992825473.db2.gz PYTNSEHFRSIJMH-UHFFFAOYSA-N -1 0 337.379 2.631 20 30 EFEDRM Cn1c(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)ccc1C(=O)[O-] ZINC001598550520 992998352 /nfs/dbraw/zinc/99/83/52/992998352.db2.gz KCMMKFZVYZUNBN-RMKNXTFCSA-N -1 0 338.363 2.528 20 30 EFEDRM CN1C(=O)CCc2cc(C=NNc3ccc(CC(=O)[O-])cc3)ccc21 ZINC001598552104 993015282 /nfs/dbraw/zinc/01/52/82/993015282.db2.gz PFCDTYXRAPPHEJ-UHFFFAOYSA-N -1 0 337.379 2.669 20 30 EFEDRM COc1ccc(NC(=O)C(F)(F)c2ccccc2C#N)c(C(=O)[O-])c1 ZINC001599589032 993653405 /nfs/dbraw/zinc/65/34/05/993653405.db2.gz AROHMFOUNLWCHG-UHFFFAOYSA-N -1 0 346.289 2.996 20 30 EFEDRM COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1C#N ZINC001599593649 993720233 /nfs/dbraw/zinc/72/02/33/993720233.db2.gz BFLKZJWFIFMREZ-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1C#N ZINC001599596135 993750963 /nfs/dbraw/zinc/75/09/63/993750963.db2.gz ZOMFPHJIJQYNCS-AWEZNQCLSA-N -1 0 345.399 2.969 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1cccc(C#N)c1 ZINC001593104787 993755820 /nfs/dbraw/zinc/75/58/20/993755820.db2.gz UXBUHBMKOIZOKH-CYBMUJFWSA-N -1 0 337.379 2.746 20 30 EFEDRM C[C@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1cccc(C#N)c1 ZINC001593104788 993755885 /nfs/dbraw/zinc/75/58/85/993755885.db2.gz UXBUHBMKOIZOKH-ZDUSSCGKSA-N -1 0 337.379 2.746 20 30 EFEDRM COc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001599596907 993760844 /nfs/dbraw/zinc/76/08/44/993760844.db2.gz DFSSYFBCTWVNLE-UHFFFAOYSA-N -1 0 339.351 2.510 20 30 EFEDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001593145730 993941602 /nfs/dbraw/zinc/94/16/02/993941602.db2.gz HNCWGNXLMSICOV-JTQLQIEISA-N -1 0 339.307 2.656 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1ccc(CC(=O)[O-])cc1 ZINC001599634054 994261060 /nfs/dbraw/zinc/26/10/60/994261060.db2.gz RQYIZZYZFAEDMK-UHFFFAOYSA-N -1 0 342.351 2.540 20 30 EFEDRM COc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1OC ZINC001599645778 994422797 /nfs/dbraw/zinc/42/27/97/994422797.db2.gz FXCDLEZPGGRAOZ-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)CCCCCC#N)c1 ZINC001599653348 994539931 /nfs/dbraw/zinc/53/99/31/994539931.db2.gz WXHNIUMZVFRGAF-GOSISDBHSA-N -1 0 332.400 2.975 20 30 EFEDRM COc1cccc([C@H](Sc2nc(C)nc(C)c2C#N)C(=O)[O-])c1 ZINC001599660485 994648816 /nfs/dbraw/zinc/64/88/16/994648816.db2.gz CWVPGACADUXSNJ-AWEZNQCLSA-N -1 0 329.381 2.892 20 30 EFEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC001593334089 994908351 /nfs/dbraw/zinc/90/83/51/994908351.db2.gz JUHDILGEPAFWOA-PLQHRBFRSA-N -1 0 348.424 2.504 20 30 EFEDRM C[C@](O)(CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC001593386339 995102538 /nfs/dbraw/zinc/10/25/38/995102538.db2.gz IDRCBPHXCRQSBV-MJGOQNOKSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@H](O)CN(C)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001593457094 995362945 /nfs/dbraw/zinc/36/29/45/995362945.db2.gz QHJOGNSVXAFDHE-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1cc(C(=O)[O-])co1 ZINC001593537227 995601527 /nfs/dbraw/zinc/60/15/27/995601527.db2.gz LSZHOACSUVKUPY-LLVKDONJSA-N -1 0 329.308 2.727 20 30 EFEDRM C[C@@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)C(=O)[O-] ZINC001593591504 995715635 /nfs/dbraw/zinc/71/56/35/995715635.db2.gz JCFGNHIVPIBXOV-LLVKDONJSA-N -1 0 339.303 2.550 20 30 EFEDRM C[C@H](ON=C(N)COc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001593610577 995802681 /nfs/dbraw/zinc/80/26/81/995802681.db2.gz CVWLHQBVCWUFDK-LBPRGKRZSA-N -1 0 339.351 2.895 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2cccc(CC#N)c2)cc1F)C(=O)[O-] ZINC001593634432 995925663 /nfs/dbraw/zinc/92/56/63/995925663.db2.gz RZLNRZMKGOKQLE-LLVKDONJSA-N -1 0 342.326 2.996 20 30 EFEDRM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1cc(C(=O)[O-])co1 ZINC001593641265 995950283 /nfs/dbraw/zinc/95/02/83/995950283.db2.gz BZMUJSCKDTUUDF-MNOVXSKESA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccsc1C(=O)[O-] ZINC001593641595 995953551 /nfs/dbraw/zinc/95/35/51/995953551.db2.gz SLZYRHPGLWJENS-JTQLQIEISA-N -1 0 331.349 2.829 20 30 EFEDRM C[C@@H](S[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC001593658402 996031214 /nfs/dbraw/zinc/03/12/14/996031214.db2.gz FAOXOGWPOFXBRD-DOMZBBRYSA-N -1 0 332.425 2.818 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)NCc1nc(C#N)cs1)C(=O)[O-] ZINC001593672234 996074710 /nfs/dbraw/zinc/07/47/10/996074710.db2.gz MCIFYSGICQXJOX-VIFPVBQESA-N -1 0 347.421 2.510 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(CC#N)n1)C(=O)[O-] ZINC001593672510 996076960 /nfs/dbraw/zinc/07/69/60/996076960.db2.gz UBSWQVIMWQXCBS-LLVKDONJSA-N -1 0 341.392 2.965 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C#N)(c2ccccn2)CC1 ZINC001593686022 996121228 /nfs/dbraw/zinc/12/12/28/996121228.db2.gz LRORBWQVWQHEEF-CYBMUJFWSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC001593690159 996135484 /nfs/dbraw/zinc/13/54/84/996135484.db2.gz PCETYFRZZSWMPN-FZKQIMNGSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001593697892 996159007 /nfs/dbraw/zinc/15/90/07/996159007.db2.gz ANINSTOFHBLMNQ-PDOBJIDASA-N -1 0 327.384 2.514 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593697962 996159655 /nfs/dbraw/zinc/15/96/55/996159655.db2.gz BXYDQFCEGODZSZ-GFCCVEGCSA-N -1 0 338.367 2.805 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001593698007 996159824 /nfs/dbraw/zinc/15/98/24/996159824.db2.gz COEYYPADVJBGRN-SNVBAGLBSA-N -1 0 344.396 2.867 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001593698528 996165157 /nfs/dbraw/zinc/16/51/57/996165157.db2.gz LDLSWEVGSWCLLX-LLVKDONJSA-N -1 0 326.356 2.820 20 30 EFEDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001593724568 996266042 /nfs/dbraw/zinc/26/60/42/996266042.db2.gz HHWLZMVIUWAVHQ-NSHDSACASA-N -1 0 326.356 2.580 20 30 EFEDRM CC1(C#N)CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001593743018 996364829 /nfs/dbraw/zinc/36/48/29/996364829.db2.gz MWPQWAIMSTYBTI-UHFFFAOYSA-N -1 0 325.368 2.561 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001593769561 996456883 /nfs/dbraw/zinc/45/68/83/996456883.db2.gz SETQNAXPSOSTQN-QFBILLFUSA-N -1 0 341.411 2.832 20 30 EFEDRM CC1(C)CCc2onc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)c2C1 ZINC001593924476 996850306 /nfs/dbraw/zinc/85/03/06/996850306.db2.gz LIANXTNZGLJWDJ-KRWDZBQOSA-N -1 0 339.395 2.977 20 30 EFEDRM CC1(C)CO[C@@H](CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001593954265 997043155 /nfs/dbraw/zinc/04/31/55/997043155.db2.gz JMIINCYZCVEMHU-HOCLYGCPSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(c1ncc(C#N)cc1Cl)CC2 ZINC001599498134 997055800 /nfs/dbraw/zinc/05/58/00/997055800.db2.gz CSTLXJYWDLZWNO-UHFFFAOYSA-N -1 0 343.770 2.876 20 30 EFEDRM CC1(C)NC(=O)N(c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1=O ZINC001593967886 997115775 /nfs/dbraw/zinc/11/57/75/997115775.db2.gz PFYZZFRQCCRKMI-UHFFFAOYSA-N -1 0 348.358 2.619 20 30 EFEDRM COCc1ccsc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599296863 997159533 /nfs/dbraw/zinc/15/95/33/997159533.db2.gz GFGWJQKWTSHWGE-ZDUSSCGKSA-N -1 0 331.349 2.749 20 30 EFEDRM COCc1nc(NC(=O)[C@]2(C#N)CC3CCC2CC3)sc1C(=O)[O-] ZINC001599301522 997241903 /nfs/dbraw/zinc/24/19/03/997241903.db2.gz KZQDDOQRDMWISB-HWYSMQLTSA-N -1 0 349.412 2.646 20 30 EFEDRM COc1cc(CN(C)[C@@H](C)CC#N)c(Br)cc1C(=O)[O-] ZINC001599406164 997306881 /nfs/dbraw/zinc/30/68/81/997306881.db2.gz VMVJRIZUKWBAPB-VIFPVBQESA-N -1 0 341.205 2.890 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)cc1 ZINC001599512774 997325579 /nfs/dbraw/zinc/32/55/79/997325579.db2.gz QQIHAKNYDLBSBQ-MRXNPFEDSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2sccc2C#N)cc1 ZINC001599512801 997326985 /nfs/dbraw/zinc/32/69/85/997326985.db2.gz RJSCLBWQFIASSP-CYBMUJFWSA-N -1 0 345.380 2.966 20 30 EFEDRM COC1CCC(CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)CC1 ZINC001599100482 997372292 /nfs/dbraw/zinc/37/22/92/997372292.db2.gz XLQIQRDMUXZYPG-UHFFFAOYSA-N -1 0 330.380 2.875 20 30 EFEDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])C1 ZINC001599107206 997501353 /nfs/dbraw/zinc/50/13/53/997501353.db2.gz LFKJWDRJLYIELM-FRFSOERESA-N -1 0 344.411 2.563 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])cc1 ZINC001599524621 997538053 /nfs/dbraw/zinc/53/80/53/997538053.db2.gz RJKTUGONEXYLQO-QGZVFWFLSA-N -1 0 349.346 2.604 20 30 EFEDRM CON=Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC001599320241 997568447 /nfs/dbraw/zinc/56/84/47/997568447.db2.gz FHSINNWJNKVFBV-UHFFFAOYSA-N -1 0 340.379 2.784 20 30 EFEDRM COCC[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(C)o1 ZINC001599218979 997632635 /nfs/dbraw/zinc/63/26/35/997632635.db2.gz VOUKNVZXOPJDKF-RDJZCZTQSA-N -1 0 328.368 2.953 20 30 EFEDRM COc1ccc([C@H](NCc2nc(C#N)cs2)C(=O)[O-])cc1Cl ZINC001599530570 997644144 /nfs/dbraw/zinc/64/41/44/997644144.db2.gz GTVIJCKPZJHHOU-ZDUSSCGKSA-N -1 0 337.788 2.592 20 30 EFEDRM COc1cc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599429597 997735544 /nfs/dbraw/zinc/73/55/44/997735544.db2.gz XQUVMARCDDHHIT-RUDMXATFSA-N -1 0 343.310 2.754 20 30 EFEDRM COC(=O)c1cc(CN2CCCC(C)(C)[C@H]2C#N)cc(C(=O)[O-])c1 ZINC001598932307 997786700 /nfs/dbraw/zinc/78/67/00/997786700.db2.gz SVCJVZPOIGQWGV-OAHLLOKOSA-N -1 0 330.384 2.686 20 30 EFEDRM COc1c(NC(=O)CSc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001599337804 997867531 /nfs/dbraw/zinc/86/75/31/997867531.db2.gz CMMNZZXZFVMAGD-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM COc1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c(F)cc1C#N ZINC001599438127 997884598 /nfs/dbraw/zinc/88/45/98/997884598.db2.gz SZGQCLAGKYYWKE-ZDUSSCGKSA-N -1 0 349.362 2.861 20 30 EFEDRM COc1c(NC(=O)NCc2cccc(C#N)c2)cccc1C(=O)[O-] ZINC001599339127 997892038 /nfs/dbraw/zinc/89/20/38/997892038.db2.gz GJJPEHLEMSMORX-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001599232825 997892869 /nfs/dbraw/zinc/89/28/69/997892869.db2.gz RVDUNDHHSDQUBE-UHFFFAOYSA-N -1 0 338.363 2.858 20 30 EFEDRM COc1cc(NC(=O)NCc2ccc(C(=O)[O-])s2)c(F)cc1C#N ZINC001599439832 997913395 /nfs/dbraw/zinc/91/33/95/997913395.db2.gz KSIIHMHMAWPEQN-UHFFFAOYSA-N -1 0 349.343 2.787 20 30 EFEDRM COc1cc(NC(=O)Nc2ccc(OCC#N)cc2)ccc1C(=O)[O-] ZINC001599440823 997927273 /nfs/dbraw/zinc/92/72/73/997927273.db2.gz HSTNIIYRHQWZOI-UHFFFAOYSA-N -1 0 341.323 2.940 20 30 EFEDRM CC1(c2ccccc2)CC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001594076070 997943089 /nfs/dbraw/zinc/94/30/89/997943089.db2.gz BGEOFKVYQPQCTI-UHFFFAOYSA-N -1 0 341.411 2.507 20 30 EFEDRM COc1cc(OC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1C#N ZINC001599445537 998003012 /nfs/dbraw/zinc/00/30/12/998003012.db2.gz FYDJFPCMYJRAAE-DNVCBOLYSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccccc1[C@H](OC)C(=O)[O-] ZINC001599347380 998032552 /nfs/dbraw/zinc/03/25/52/998032552.db2.gz DSNJMWQADXJNEF-KRWDZBQOSA-N -1 0 327.336 2.918 20 30 EFEDRM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc(C(=O)[O-])co1 ZINC001599449004 998059791 /nfs/dbraw/zinc/05/97/91/998059791.db2.gz QGMFKRJCBYJIRN-PLNGDYQASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001599349618 998070414 /nfs/dbraw/zinc/07/04/14/998070414.db2.gz YIETVIQOIXWIIL-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM COc1cc(C#N)ccc1OCCOc1ccc(C(=O)[O-])c(OC)c1 ZINC001599350293 998080950 /nfs/dbraw/zinc/08/09/50/998080950.db2.gz JTRRRGYWCIIRPU-UHFFFAOYSA-N -1 0 343.335 2.731 20 30 EFEDRM COc1cc(C#N)ccc1OCCSc1ncc(C(=O)[O-])s1 ZINC001599350436 998083928 /nfs/dbraw/zinc/08/39/28/998083928.db2.gz REVMKWZGONQHBB-UHFFFAOYSA-N -1 0 336.394 2.893 20 30 EFEDRM COc1cc(C(=O)N(C)c2c(OC)cccc2C(=O)[O-])ccc1C#N ZINC001599350588 998086129 /nfs/dbraw/zinc/08/61/29/998086129.db2.gz CDMITFLOUPWMOE-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(C#N)c(F)c2)ccc1C(=O)[O-] ZINC001598948532 998101832 /nfs/dbraw/zinc/10/18/32/998101832.db2.gz WEQVTRYISDGBCL-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2Cc3cccc(C#N)c3C2)c1 ZINC001599453666 998150413 /nfs/dbraw/zinc/15/04/13/998150413.db2.gz QRVHCIZYEVGOST-SFHVURJKSA-N -1 0 338.363 2.717 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](c2cccc(C#N)c2)C(F)(F)F)O1 ZINC001594105179 998157674 /nfs/dbraw/zinc/15/76/74/998157674.db2.gz UDSMCBJTSSKGIM-GXTWGEPZSA-N -1 0 340.301 2.899 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1O ZINC001599357954 998211279 /nfs/dbraw/zinc/21/12/79/998211279.db2.gz HNLKQQFJJVCRCK-HJJCYIDCSA-N -1 0 344.367 2.758 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc1OC ZINC001599257625 998330479 /nfs/dbraw/zinc/33/04/79/998330479.db2.gz OGCXGCLRHPJOAH-HYXAFXHYSA-N -1 0 346.335 2.908 20 30 EFEDRM COc1cc2c(cc1F)CC[C@@H]2Nc1ccc(C(=O)[O-])nc1C#N ZINC001599465062 998345171 /nfs/dbraw/zinc/34/51/71/998345171.db2.gz PQQSYCIQNKIYBB-LBPRGKRZSA-N -1 0 327.315 2.899 20 30 EFEDRM COC(=O)c1cc(OC(=O)c2ccc(C#N)cc2C)cc(C(=O)[O-])c1 ZINC001598962151 998352268 /nfs/dbraw/zinc/35/22/68/998352268.db2.gz MDHQIGSTKAPNHP-UHFFFAOYSA-N -1 0 339.303 2.571 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(C#N)ccc1C ZINC001599367176 998353007 /nfs/dbraw/zinc/35/30/07/998353007.db2.gz QZLCJNUQAHJMQD-UHFFFAOYSA-N -1 0 338.363 2.546 20 30 EFEDRM COc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1C(=O)[O-] ZINC001599570430 998355956 /nfs/dbraw/zinc/35/59/56/998355956.db2.gz PSUJRPBANWCTEU-UHFFFAOYSA-N -1 0 344.754 2.848 20 30 EFEDRM COCCOc1cccc(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001599260455 998377308 /nfs/dbraw/zinc/37/73/08/998377308.db2.gz SDHXBSICPIJSEK-UHFFFAOYSA-N -1 0 327.336 2.861 20 30 EFEDRM COc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599573670 998406224 /nfs/dbraw/zinc/40/62/24/998406224.db2.gz HQDXNFWYCCTXID-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1ccc(COCCON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001599575651 998438308 /nfs/dbraw/zinc/43/83/08/998438308.db2.gz HEJFVSBRFQFKKU-UHFFFAOYSA-N -1 0 329.352 2.961 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC1(C#N)CCCCC1 ZINC001599373887 998456116 /nfs/dbraw/zinc/45/61/16/998456116.db2.gz SXRFEMAUPUOFGH-UHFFFAOYSA-N -1 0 331.372 2.989 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)c(C#N)c1 ZINC001599374763 998469052 /nfs/dbraw/zinc/46/90/52/998469052.db2.gz WDIMGCGPSRNRTF-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc(Cl)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599578565 998487516 /nfs/dbraw/zinc/48/75/16/998487516.db2.gz AYDRVABFGNODPQ-UHFFFAOYSA-N -1 0 337.763 2.571 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](CC#N)c1ccccc1 ZINC001599377727 998514628 /nfs/dbraw/zinc/51/46/28/998514628.db2.gz LXGJMKBZWFBJQW-AWEZNQCLSA-N -1 0 325.320 2.996 20 30 EFEDRM COC(=O)c1ccc(C=NOCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001598974424 998576520 /nfs/dbraw/zinc/57/65/20/998576520.db2.gz QTYOWUWDZYVORG-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001594161032 998597744 /nfs/dbraw/zinc/59/77/44/998597744.db2.gz BJCVJHJJHBXMQZ-ZIAGYGMSSA-N -1 0 339.395 2.880 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2sccc2CC#N)cc1C(=O)[O-] ZINC001598983586 998680733 /nfs/dbraw/zinc/68/07/33/998680733.db2.gz NTQORBGDAAIBDM-UHFFFAOYSA-N -1 0 344.348 2.551 20 30 EFEDRM COC(=O)c1ccc(NN=Cc2cc(C)c(C(=O)[O-])[nH]2)cc1Cl ZINC001598984013 998684584 /nfs/dbraw/zinc/68/45/84/998684584.db2.gz FZLVLBCVKHOGDY-UHFFFAOYSA-N -1 0 335.747 2.907 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C#N)n1 ZINC001598985005 998691635 /nfs/dbraw/zinc/69/16/35/998691635.db2.gz YQLWOPGKIJIUTB-LLVKDONJSA-N -1 0 339.351 2.747 20 30 EFEDRM COC(=O)c1cccc(CNc2ccc(C(=O)[O-])c(OC)c2)c1C#N ZINC001598993427 998757711 /nfs/dbraw/zinc/75/77/11/998757711.db2.gz AZQLIWVZVOMADK-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1cccc(CNc2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC001598993822 998760890 /nfs/dbraw/zinc/76/08/90/998760890.db2.gz JDURHZJSEWVTAC-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COC(=O)c1cccc(COc2cc(C)sc2C(=O)[O-])c1C#N ZINC001598994285 998764910 /nfs/dbraw/zinc/76/49/10/998764910.db2.gz NVWJRSUHUXFZLM-UHFFFAOYSA-N -1 0 331.349 2.992 20 30 EFEDRM COC(=O)c1cccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)c1C#N ZINC001598995949 998779459 /nfs/dbraw/zinc/77/94/59/998779459.db2.gz MJJDRWRQMXXYOW-KRWDZBQOSA-N -1 0 338.363 2.603 20 30 EFEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1cccc(C#N)c1 ZINC001599027520 999027018 /nfs/dbraw/zinc/02/70/18/999027018.db2.gz UGMRMEIBJAVXJY-QGZVFWFLSA-N -1 0 327.336 2.788 20 30 EFEDRM CO[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CCCCC1 ZINC001599030317 999045715 /nfs/dbraw/zinc/04/57/15/999045715.db2.gz SVUUVATWTGGKJT-JKSUJKDBSA-N -1 0 331.368 2.822 20 30 EFEDRM COC(CCCC(C)(C)CNc1ccc(C(=O)[O-])nc1C#N)OC ZINC001599044055 999138403 /nfs/dbraw/zinc/13/84/03/999138403.db2.gz QGUXXBZWUWYKLG-UHFFFAOYSA-N -1 0 335.404 2.879 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NC1CCC(C)CC1 ZINC001594318400 999225961 /nfs/dbraw/zinc/22/59/61/999225961.db2.gz FWNSMIOYLDTHAN-UYJPIKCFSA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@@H]1CCCc2ncc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n21 ZINC001594387250 999465107 /nfs/dbraw/zinc/46/51/07/999465107.db2.gz BMZCSQFBTMJJBN-BDJLRTHQSA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C(=O)[O-])C1 ZINC001594406836 999524366 /nfs/dbraw/zinc/52/43/66/999524366.db2.gz GQXIZRAHROJPRO-NHYWBVRUSA-N -1 0 339.351 2.539 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC(C2CC2)C2CC2)n1 ZINC001647075625 1088838575 /nfs/dbraw/zinc/83/85/75/1088838575.db2.gz STJDOKRCGOPOQA-CQSZACIVSA-N -1 0 332.425 2.997 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC001647081008 1088851869 /nfs/dbraw/zinc/85/18/69/1088851869.db2.gz KRGDFKIYEQSYKO-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001647724007 1089861763 /nfs/dbraw/zinc/86/17/63/1089861763.db2.gz VVRVJQXMBCNCJF-FVQBIDKESA-N -1 0 329.400 2.926 20 30 EFEDRM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(C#N)c(Cl)c1 ZINC001577829159 1090197293 /nfs/dbraw/zinc/19/72/93/1090197293.db2.gz SUNYGZRKUFKULP-UHFFFAOYSA-N -1 0 342.746 2.651 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)c(C(C)C)n1 ZINC001581174154 1091086344 /nfs/dbraw/zinc/08/63/44/1091086344.db2.gz HXOBRXAWZGVLEQ-UHFFFAOYSA-N -1 0 347.382 2.818 20 30 EFEDRM Cc1ccccc1[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)C ZINC001581252948 1091107278 /nfs/dbraw/zinc/10/72/78/1091107278.db2.gz FYOJNDBRHLLRPI-HNNXBMFYSA-N -1 0 334.387 2.646 20 30 EFEDRM N#Cc1ncc(Nc2cccc(-c3ccccc3)c2)nc1-c1nnn[n-]1 ZINC001581884991 1091332248 /nfs/dbraw/zinc/33/22/48/1091332248.db2.gz JMGLSBNOLWBAFL-UHFFFAOYSA-N -1 0 340.350 2.939 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)nn1 ZINC001649768906 1092663800 /nfs/dbraw/zinc/66/38/00/1092663800.db2.gz WZFNKCDBFGFKIP-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM Cc1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC001649771012 1092665871 /nfs/dbraw/zinc/66/58/71/1092665871.db2.gz WLEBTWSHVHMWOP-UHFFFAOYSA-N -1 0 334.784 2.527 20 30 EFEDRM C[C@@H](O)c1cc(NS(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001649794310 1092684714 /nfs/dbraw/zinc/68/47/14/1092684714.db2.gz RCLHKDYVRVJPTD-LLVKDONJSA-N -1 0 334.372 2.746 20 30 EFEDRM C[C@H](O)c1cc(NS(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001649794313 1092685497 /nfs/dbraw/zinc/68/54/97/1092685497.db2.gz RCLHKDYVRVJPTD-NSHDSACASA-N -1 0 334.372 2.746 20 30 EFEDRM C=C1CC(C)(c2noc(-c3cc(-c4nn[nH]n4)cc(N(C)C)c3)n2)C1 ZINC001588456042 1092947839 /nfs/dbraw/zinc/94/78/39/1092947839.db2.gz GTBIWCJDTUDLGS-UHFFFAOYSA-N -1 0 337.387 2.590 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001588443666 1092947871 /nfs/dbraw/zinc/94/78/71/1092947871.db2.gz WVQSVBFUJOEZTF-JSGCOSHPSA-N -1 0 348.790 2.545 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001588486314 1092948713 /nfs/dbraw/zinc/94/87/13/1092948713.db2.gz FHOWLFDITSFJAQ-UHFFFAOYSA-N -1 0 340.431 2.884 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588486875 1092949958 /nfs/dbraw/zinc/94/99/58/1092949958.db2.gz LMVBTMGAMAXBMQ-GFCCVEGCSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CC(C)(C)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001588483152 1092950204 /nfs/dbraw/zinc/95/02/04/1092950204.db2.gz AAXWDLOVIRLOFS-NSHDSACASA-N -1 0 346.410 2.525 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001588486691 1092950562 /nfs/dbraw/zinc/95/05/62/1092950562.db2.gz IKNPCGXITMPTNT-UHFFFAOYSA-N -1 0 343.431 2.743 20 30 EFEDRM C=CCC(C)(C)C(=O)Nc1n[nH]c2cc(-c3nn[nH]n3)c(C)cc21 ZINC001588539730 1092955958 /nfs/dbraw/zinc/95/59/58/1092955958.db2.gz XGCCTEURVGYDDP-UHFFFAOYSA-N -1 0 325.376 2.592 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001588541309 1092956440 /nfs/dbraw/zinc/95/64/40/1092956440.db2.gz LXCSMAMJPAZZIF-CQSZACIVSA-N -1 0 329.379 2.508 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001588549416 1092957403 /nfs/dbraw/zinc/95/74/03/1092957403.db2.gz ZMOOGLDGRXIGPG-ZDUSSCGKSA-N -1 0 346.408 2.968 20 30 EFEDRM C=CCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC001588603627 1092967821 /nfs/dbraw/zinc/96/78/21/1092967821.db2.gz SEQWOHYNZLXVLA-UHFFFAOYSA-N -1 0 344.444 2.509 20 30 EFEDRM C=CCCCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001588601182 1092968221 /nfs/dbraw/zinc/96/82/21/1092968221.db2.gz XSGSOBUQYGCDGI-UHFFFAOYSA-N -1 0 326.404 2.507 20 30 EFEDRM C=CCN(Cc1nccn1C(F)F)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588652239 1092975963 /nfs/dbraw/zinc/97/59/63/1092975963.db2.gz PXCRSTUARITTFA-UHFFFAOYSA-N -1 0 345.357 2.647 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588653509 1092976372 /nfs/dbraw/zinc/97/63/72/1092976372.db2.gz JSPWYBACCHKSGB-UHFFFAOYSA-N -1 0 325.397 2.757 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)c1sccc1-c1nn[nH]n1 ZINC001588653779 1092976680 /nfs/dbraw/zinc/97/66/80/1092976680.db2.gz ZUOUYZTUHPYRJZ-UHFFFAOYSA-N -1 0 343.387 2.896 20 30 EFEDRM CC#CCCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[nH]n2)c1 ZINC001588745990 1092983577 /nfs/dbraw/zinc/98/35/77/1092983577.db2.gz JUZIJORLVVDHOI-UHFFFAOYSA-N -1 0 342.403 2.579 20 30 EFEDRM N#CC1(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC001650217652 1093035317 /nfs/dbraw/zinc/03/53/17/1093035317.db2.gz LXBNJQPHCKROOF-UHFFFAOYSA-N -1 0 329.183 2.749 20 30 EFEDRM CC(C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CCC1 ZINC000835302452 1093046716 /nfs/dbraw/zinc/04/67/16/1093046716.db2.gz DJVNOAVJOHQSPU-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)[C@@H]1CCC[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001589507371 1093098644 /nfs/dbraw/zinc/09/86/44/1093098644.db2.gz JDLXGWGGSZAGMP-VXGBXAGGSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)CC1(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CCCC1 ZINC001589570280 1093107897 /nfs/dbraw/zinc/10/78/97/1093107897.db2.gz CRLZZSVDIXNQOV-UHFFFAOYSA-N -1 0 326.408 2.547 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CCCSCC2)o1 ZINC001589664506 1093123325 /nfs/dbraw/zinc/12/33/25/1093123325.db2.gz JABVRFHPFRZDQY-UHFFFAOYSA-N -1 0 335.437 2.738 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2c(F)cccc2F)o1 ZINC001589664634 1093123891 /nfs/dbraw/zinc/12/38/91/1093123891.db2.gz RJKZIOOEMGTAJS-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)o1 ZINC001589774221 1093143103 /nfs/dbraw/zinc/14/31/03/1093143103.db2.gz UPNHTEIHCDAAIU-WOPDTQHZSA-N -1 0 327.392 2.978 20 30 EFEDRM CC(CC(C)(C)C#N)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001589795925 1093150578 /nfs/dbraw/zinc/15/05/78/1093150578.db2.gz PNVJLMQKFDKFLD-UHFFFAOYSA-N -1 0 330.396 2.880 20 30 EFEDRM C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc2ccccc21 ZINC001589987107 1093211845 /nfs/dbraw/zinc/21/18/45/1093211845.db2.gz DWACKKLYBWLAMN-NSHDSACASA-N -1 0 342.366 2.855 20 30 EFEDRM CCC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)CCC#N)CC1 ZINC000835409195 1093271943 /nfs/dbraw/zinc/27/19/43/1093271943.db2.gz DSYAUPZQPHNMBG-UHFFFAOYSA-N -1 0 328.478 2.979 20 30 EFEDRM CCCCC1CCC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001590581777 1093501208 /nfs/dbraw/zinc/50/12/08/1093501208.db2.gz DLWGYQDCJPCTTA-UHFFFAOYSA-N -1 0 326.408 2.689 20 30 EFEDRM CCCCCCC[C@@H](C)CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590592803 1093502674 /nfs/dbraw/zinc/50/26/74/1093502674.db2.gz KMOPDFDYSKZTGV-GFCCVEGCSA-N -1 0 328.424 2.937 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(C)cc2[O-])ccc1-c1nn[nH]n1 ZINC001591523579 1093751551 /nfs/dbraw/zinc/75/15/51/1093751551.db2.gz XGBRRPCPIUQKIA-VMPITWQZSA-N -1 0 336.351 2.785 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)n1C ZINC001591771916 1093855135 /nfs/dbraw/zinc/85/51/35/1093855135.db2.gz QGPVJKDLJCKFHI-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1 ZINC001592113428 1093984471 /nfs/dbraw/zinc/98/44/71/1093984471.db2.gz MSFCQADBHCMCCQ-UHFFFAOYSA-N -1 0 332.367 2.916 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001592113257 1093984586 /nfs/dbraw/zinc/98/45/86/1093984586.db2.gz KVMOMSMZLTUWOG-UHFFFAOYSA-N -1 0 347.382 2.677 20 30 EFEDRM Cc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001592254667 1094052680 /nfs/dbraw/zinc/05/26/80/1094052680.db2.gz RQLWCOLHQGNNIE-UHFFFAOYSA-N -1 0 325.376 2.907 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(Cl)sc1Cl ZINC001592335503 1094078812 /nfs/dbraw/zinc/07/88/12/1094078812.db2.gz RIXDZPKARPRHQX-UHFFFAOYSA-N -1 0 340.199 2.660 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(Cl)c2Cl)o1 ZINC001592338771 1094081964 /nfs/dbraw/zinc/08/19/64/1094081964.db2.gz MVBBTAXDBKBKCO-UHFFFAOYSA-N -1 0 338.158 2.916 20 30 EFEDRM N#Cc1ncc(N[C@H](CC2CCC2)c2ccccc2)nc1-c1nnn[n-]1 ZINC001592710716 1094183313 /nfs/dbraw/zinc/18/33/13/1094183313.db2.gz WCXPGKQFLHXAGL-CQSZACIVSA-N -1 0 346.398 2.872 20 30 EFEDRM N#Cc1ncc(Sc2ccc3c(c2)CCCC3)nc1-c1nnn[n-]1 ZINC001592708710 1094183406 /nfs/dbraw/zinc/18/34/06/1094183406.db2.gz KKDZXCVMVHHINS-UHFFFAOYSA-N -1 0 335.396 2.558 20 30 EFEDRM N#Cc1ncc(S[C@@H]2CCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001592708685 1094183585 /nfs/dbraw/zinc/18/35/85/1094183585.db2.gz IUHMCIXLCYOHCH-CYBMUJFWSA-N -1 0 335.396 2.698 20 30 EFEDRM O=C([O-])c1cccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001593283154 1094264685 /nfs/dbraw/zinc/26/46/85/1094264685.db2.gz MKOLMNWTRKUZTN-SREVYHEPSA-N -1 0 338.298 2.600 20 30 EFEDRM Cc1c(C(=O)[O-])ccc(Cl)c1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC001599996587 1094710634 /nfs/dbraw/zinc/71/06/34/1094710634.db2.gz GVCWPYBCECDELA-INIZCTEOSA-N -1 0 335.791 2.567 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])nn1C ZINC001600009200 1094716758 /nfs/dbraw/zinc/71/67/58/1094716758.db2.gz IPJWHIPFJWKJFQ-GQCTYLIASA-N -1 0 349.730 2.884 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccnn2-c2ccccc2)c(C(=O)[O-])nn1C ZINC001600008769 1094717019 /nfs/dbraw/zinc/71/70/19/1094717019.db2.gz BIALQCRXSYFPON-HJWRWDBZSA-N -1 0 336.351 2.509 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C#N)CC(C)C ZINC001600014323 1094722344 /nfs/dbraw/zinc/72/23/44/1094722344.db2.gz WKZFBTXUFYDFJA-NSHDSACASA-N -1 0 344.820 2.563 20 30 EFEDRM Cc1c(NC(=O)N[C@@H](C)CC#N)ccc(Br)c1C(=O)[O-] ZINC001600039089 1094734490 /nfs/dbraw/zinc/73/44/90/1094734490.db2.gz DFSKAMQPOPYZCY-ZETCQYMHSA-N -1 0 340.177 2.879 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N[C@@H](C)CC#N ZINC001600069247 1094750848 /nfs/dbraw/zinc/75/08/48/1094750848.db2.gz JSPJYHNOBQQKQF-QMMMGPOBSA-N -1 0 340.177 2.879 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)c2ccc(C(=O)[O-])cc2F)C2CC2)n1 ZINC001600073957 1094753048 /nfs/dbraw/zinc/75/30/48/1094753048.db2.gz FGITUSHVJPAENE-UHFFFAOYSA-N -1 0 339.326 2.908 20 30 EFEDRM Cc1nc(NC(=O)Cc2c(C)cc(C#N)cc2C)sc1C(=O)[O-] ZINC001600074993 1094753416 /nfs/dbraw/zinc/75/34/16/1094753416.db2.gz XJQAZPANAJXNKQ-UHFFFAOYSA-N -1 0 329.381 2.819 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001600075015 1094753676 /nfs/dbraw/zinc/75/36/76/1094753676.db2.gz YLLNUKRORZXZMI-GOSISDBHSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001600074602 1094753948 /nfs/dbraw/zinc/75/39/48/1094753948.db2.gz LJADOKFQDXIZLS-YALNPMBYSA-N -1 0 327.380 2.760 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001600074261 1094754138 /nfs/dbraw/zinc/75/41/38/1094754138.db2.gz VHDFZVQXPCSWIS-ULQDDVLXSA-N -1 0 326.396 2.972 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001600075830 1094754927 /nfs/dbraw/zinc/75/49/27/1094754927.db2.gz CTHCYNXECDJBOM-UHFFFAOYSA-N -1 0 337.379 2.769 20 30 EFEDRM Cc1cc(C#N)ccc1CON=C(N)COc1cccc(C(=O)[O-])c1 ZINC001600075464 1094755311 /nfs/dbraw/zinc/75/53/11/1094755311.db2.gz ZPNLRPVEUIYTGZ-UHFFFAOYSA-N -1 0 339.351 2.642 20 30 EFEDRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc(C)c1C#N ZINC001600078980 1094757050 /nfs/dbraw/zinc/75/70/50/1094757050.db2.gz DIQJTXJQOXYFJW-QGZVFWFLSA-N -1 0 336.347 2.668 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@H](CC#N)C2)cc(C)c1OCC(=O)[O-] ZINC001600082319 1094760886 /nfs/dbraw/zinc/76/08/86/1094760886.db2.gz TYYFWVYREUEKIR-CQSZACIVSA-N -1 0 330.384 2.533 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)ncc1C#N ZINC001600099078 1094769479 /nfs/dbraw/zinc/76/94/79/1094769479.db2.gz MTMBLQXBFRDKND-UHFFFAOYSA-N -1 0 332.319 2.760 20 30 EFEDRM Cc1cc(C(=O)[O-])c2c(n1)nc(S[C@H]1CC[C@H](C#N)C1)[nH]c2=O ZINC001600106531 1094773754 /nfs/dbraw/zinc/77/37/54/1094773754.db2.gz OXQXZJKROYEGDS-IUCAKERBSA-N -1 0 330.369 2.521 20 30 EFEDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cccc(OCC#N)c2)n1 ZINC001600106010 1094774064 /nfs/dbraw/zinc/77/40/64/1094774064.db2.gz UMBXAOYPTVMNRB-UHFFFAOYSA-N -1 0 342.311 2.511 20 30 EFEDRM Cc1cc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)s1 ZINC001600141801 1094799671 /nfs/dbraw/zinc/79/96/71/1094799671.db2.gz GJHDSHXHJPEJQQ-LLVKDONJSA-N -1 0 335.429 2.826 20 30 EFEDRM Cc1cc(C)c(C#N)c(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600147390 1094806206 /nfs/dbraw/zinc/80/62/06/1094806206.db2.gz RIOXEHOGWFKXDK-DLBZAZTESA-N -1 0 337.379 2.580 20 30 EFEDRM Cc1cc([C@@H](NC(=O)CC#Cc2ccccc2)C(=O)[O-])ccc1F ZINC001600147541 1094806489 /nfs/dbraw/zinc/80/64/89/1094806489.db2.gz URPNLTQAZWIMTD-GOSISDBHSA-N -1 0 325.339 2.818 20 30 EFEDRM Cc1cc([C@H](NC(=O)CC#Cc2ccccc2)C(=O)[O-])ccc1F ZINC001600147542 1094806989 /nfs/dbraw/zinc/80/69/89/1094806989.db2.gz URPNLTQAZWIMTD-SFHVURJKSA-N -1 0 325.339 2.818 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NCC(=O)NCc1cccc(C#N)c1 ZINC001600158837 1094820097 /nfs/dbraw/zinc/82/00/97/1094820097.db2.gz PEKYHAAOOXNILL-UHFFFAOYSA-N -1 0 337.379 2.602 20 30 EFEDRM Cc1cc(C)c(/C=C/C=C/C(=O)c2cn(CC(=O)[O-])nn2)c(C)c1 ZINC001600159726 1094822623 /nfs/dbraw/zinc/82/26/23/1094822623.db2.gz FJNCHOLERHSSMS-YDFGWWAZSA-N -1 0 325.368 2.740 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])c1 ZINC001600169866 1094835540 /nfs/dbraw/zinc/83/55/40/1094835540.db2.gz SOQMJCPJTUONQG-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)cc(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1 ZINC001600175692 1094843438 /nfs/dbraw/zinc/84/34/38/1094843438.db2.gz JNOVOKRXLOLSEL-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(CNc2cccc(CC#N)n2)cc(C)c1OCC(=O)[O-] ZINC001600211306 1094887130 /nfs/dbraw/zinc/88/71/30/1094887130.db2.gz WSOMPQICIOGGIM-UHFFFAOYSA-N -1 0 325.368 2.840 20 30 EFEDRM Cc1cc(CON=C(N)c2ccc(NC(C)(C)C)cn2)oc1C(=O)[O-] ZINC001600214814 1094893303 /nfs/dbraw/zinc/89/33/03/1094893303.db2.gz IARAPNGZQHESFV-UHFFFAOYSA-N -1 0 346.387 2.729 20 30 EFEDRM Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600218445 1094893688 /nfs/dbraw/zinc/89/36/88/1094893688.db2.gz WLMLMJUZAISDJQ-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCO[C@@H](CC(=O)[O-])C3)c2c1 ZINC001600217693 1094895552 /nfs/dbraw/zinc/89/55/52/1094895552.db2.gz AQZMWSCSJIJTTP-LBPRGKRZSA-N -1 0 345.786 2.748 20 30 EFEDRM Cc1cc(Cn2cc(CC3(C#N)CCCCC3)nn2)oc1C(=O)[O-] ZINC001600221997 1094898075 /nfs/dbraw/zinc/89/80/75/1094898075.db2.gz QWSZURADXYSXEJ-UHFFFAOYSA-N -1 0 328.372 2.943 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001600223989 1094900641 /nfs/dbraw/zinc/90/06/41/1094900641.db2.gz QDTADUMYMWSXLF-UHFFFAOYSA-N -1 0 346.318 2.749 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cc(C#N)c(F)cc2C)n1C ZINC001600223906 1094900898 /nfs/dbraw/zinc/90/08/98/1094900898.db2.gz MKZPBUJRAFUQCH-UHFFFAOYSA-N -1 0 344.346 2.673 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc(C#N)n1 ZINC001600241141 1094911342 /nfs/dbraw/zinc/91/13/42/1094911342.db2.gz UBRRRYQCHJXVFC-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001600261956 1094923129 /nfs/dbraw/zinc/92/31/29/1094923129.db2.gz GVKSEGBGYCFMSE-TZMCWYRMSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1cc(NC(=O)NCc2ccoc2C(=O)[O-])c(C#N)cc1N(C)C ZINC001600271147 1094931493 /nfs/dbraw/zinc/93/14/93/1094931493.db2.gz UQGKEQRUDOETAT-UHFFFAOYSA-N -1 0 342.355 2.546 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)nn1CCC#N ZINC001600272171 1094933252 /nfs/dbraw/zinc/93/32/52/1094933252.db2.gz LMHHGOBNUAWHTQ-UHFFFAOYSA-N -1 0 341.371 2.766 20 30 EFEDRM Cc1cc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)oc1C(=O)[O-] ZINC001600296871 1094954104 /nfs/dbraw/zinc/95/41/04/1094954104.db2.gz GUAAFEMMUSQCGH-CYBMUJFWSA-N -1 0 348.380 2.610 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc([N+](=O)[O-])cc1C ZINC001600305130 1094957058 /nfs/dbraw/zinc/95/70/58/1094957058.db2.gz LUMVEHRACTYFGW-UHFFFAOYSA-N -1 0 345.359 2.637 20 30 EFEDRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600308507 1094959512 /nfs/dbraw/zinc/95/95/12/1094959512.db2.gz CTSRORHACWGTSM-UHFFFAOYSA-N -1 0 326.356 2.699 20 30 EFEDRM Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])n2)nnn1-c1ccc(C)cc1 ZINC001600324975 1094974059 /nfs/dbraw/zinc/97/40/59/1094974059.db2.gz JMJIEVVKFYNGRO-DHZHZOJOSA-N -1 0 348.362 2.873 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C#CC(C)(C)C ZINC001600352807 1094995077 /nfs/dbraw/zinc/99/50/77/1094995077.db2.gz NETYLYWMFLQIOZ-GFCCVEGCSA-N -1 0 331.368 2.613 20 30 EFEDRM Cc1ccc(C(C)C)c(OCCC(=O)N(CC#N)CCC(=O)[O-])c1 ZINC001600367089 1095006457 /nfs/dbraw/zinc/00/64/57/1095006457.db2.gz ILBMUTUBYNPQJD-UHFFFAOYSA-N -1 0 332.400 2.714 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2OCC#N)cc1 ZINC001600370600 1095009940 /nfs/dbraw/zinc/00/99/40/1095009940.db2.gz BRPDVNULNVBBDW-MRXNPFEDSA-N -1 0 338.363 2.843 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)c2c[nH]c3cccc(C#N)c23)C(=O)[O-])cc1 ZINC001600378137 1095017010 /nfs/dbraw/zinc/01/70/10/1095017010.db2.gz VCYXJYGBSPYAJH-HNNXBMFYSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc(C)n1-c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001600391445 1095028963 /nfs/dbraw/zinc/02/89/63/1095028963.db2.gz HHDQHCPJAXNODB-UHFFFAOYSA-N -1 0 325.368 2.535 20 30 EFEDRM Cc1ccc(CS(=O)(=O)Cc2cc(C(=O)[O-])cs2)cc1C#N ZINC001600421770 1095052210 /nfs/dbraw/zinc/05/22/10/1095052210.db2.gz IXWYSHAOWNZZPB-UHFFFAOYSA-N -1 0 335.406 2.741 20 30 EFEDRM Cc1ccc(OC(=O)Cc2cccc(OCC#N)c2)c(C(=O)[O-])c1 ZINC001600465833 1095088705 /nfs/dbraw/zinc/08/87/05/1095088705.db2.gz IXNDHRCHCMZXER-UHFFFAOYSA-N -1 0 325.320 2.744 20 30 EFEDRM Cc1ccc(Oc2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2)nc1 ZINC001600472678 1095095194 /nfs/dbraw/zinc/09/51/94/1095095194.db2.gz XURCSNFRGGATSE-UHFFFAOYSA-N -1 0 339.351 2.623 20 30 EFEDRM Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])n2)c(C#N)c1 ZINC001600484255 1095099739 /nfs/dbraw/zinc/09/97/39/1095099739.db2.gz BGXFHMKSBWIXGS-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM Cc1ccc2[nH]c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c(Cl)c2c1 ZINC001600488849 1095103927 /nfs/dbraw/zinc/10/39/27/1095103927.db2.gz BRQSRUCUEYBACX-UHFFFAOYSA-N -1 0 345.786 2.960 20 30 EFEDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)c1 ZINC001600516237 1095127747 /nfs/dbraw/zinc/12/77/47/1095127747.db2.gz MFFGTZSFVCNSHB-INIZCTEOSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1cccc(C)c1NC(=S)NN=Cc1cccn1CC(=O)[O-] ZINC001600523124 1095132974 /nfs/dbraw/zinc/13/29/74/1095132974.db2.gz GWBFKJVOCGBBQS-UHFFFAOYSA-N -1 0 330.413 2.510 20 30 EFEDRM Cc1cccc(OCCCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001600544686 1095151489 /nfs/dbraw/zinc/15/14/89/1095151489.db2.gz LLXMLCJIJJDKNB-UHFFFAOYSA-N -1 0 344.411 2.761 20 30 EFEDRM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001600587234 1095190010 /nfs/dbraw/zinc/19/00/10/1095190010.db2.gz AELWHSABPMBVRE-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3ccccc3C(=O)[O-])nc21 ZINC001600601054 1095202427 /nfs/dbraw/zinc/20/24/27/1095202427.db2.gz CBDRZFHGVOTZLN-CQSZACIVSA-N -1 0 348.362 2.774 20 30 EFEDRM Cc1cnc(CCCC(=O)OCC#Cc2cccc(C(=O)[O-])c2)o1 ZINC001600620542 1095216818 /nfs/dbraw/zinc/21/68/18/1095216818.db2.gz NUBRDJAAVVWIJM-UHFFFAOYSA-N -1 0 327.336 2.599 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC001600641209 1095229770 /nfs/dbraw/zinc/22/97/70/1095229770.db2.gz QZXHBOBKVUALCW-GFCCVEGCSA-N -1 0 332.743 2.863 20 30 EFEDRM Cc1csc(NC(=O)CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600663436 1095245323 /nfs/dbraw/zinc/24/53/23/1095245323.db2.gz MQNBOCQIMFOGIS-UHFFFAOYSA-N -1 0 347.421 2.893 20 30 EFEDRM Cc1nc(-c2ccc(C(=O)N(CC#N)CCC(=O)[O-])s2)cs1 ZINC001600677148 1095252859 /nfs/dbraw/zinc/25/28/59/1095252859.db2.gz QZNUFVPWCDJILG-UHFFFAOYSA-N -1 0 335.410 2.621 20 30 EFEDRM Cc1nc(-c2cccs2)c(CC(=O)N(CC#N)CCC(=O)[O-])s1 ZINC001600680528 1095254682 /nfs/dbraw/zinc/25/46/82/1095254682.db2.gz BBWGVWFLPJCUJQ-UHFFFAOYSA-N -1 0 349.437 2.549 20 30 EFEDRM Cc1nc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)ccc1C#N ZINC001600682105 1095256092 /nfs/dbraw/zinc/25/60/92/1095256092.db2.gz JDZQJCCSSUNFFI-GOSISDBHSA-N -1 0 345.358 2.971 20 30 EFEDRM Cc1nc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccc1C#N ZINC001600684528 1095259244 /nfs/dbraw/zinc/25/92/44/1095259244.db2.gz HMCLLQRUGZQFND-UHFFFAOYSA-N -1 0 328.353 2.546 20 30 EFEDRM COc1ccc(OC)c(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001143494723 1095269512 /nfs/dbraw/zinc/26/95/12/1095269512.db2.gz JMTWPLCXLAWHRN-UHFFFAOYSA-N -1 0 330.315 2.601 20 30 EFEDRM Cc1nc(N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(Cl)cc1C#N ZINC001600709236 1095277581 /nfs/dbraw/zinc/27/75/81/1095277581.db2.gz YKRYDLBLWHRPNM-UHFFFAOYSA-N -1 0 349.818 2.501 20 30 EFEDRM Cc1nc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)c(Cl)cc1C#N ZINC001600715443 1095283816 /nfs/dbraw/zinc/28/38/16/1095283816.db2.gz SHWQLZATBCRAPS-NSHDSACASA-N -1 0 331.763 2.757 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2o1 ZINC001600727186 1095294424 /nfs/dbraw/zinc/29/44/24/1095294424.db2.gz DPEQRHYIGBTMSO-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1ncc(NC(=O)c2ccccc2SCC#N)cc1C(=O)[O-] ZINC001600741716 1095301646 /nfs/dbraw/zinc/30/16/46/1095301646.db2.gz CICAHDSDYMCDFM-UHFFFAOYSA-N -1 0 327.365 2.956 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccccc1O[C@H](C)C(=O)[O-] ZINC001600768639 1095321207 /nfs/dbraw/zinc/32/12/07/1095321207.db2.gz MWBYWJFZTZJLHH-WTNCMQEWSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(F)c(F)c1F ZINC001600784874 1095329182 /nfs/dbraw/zinc/32/91/82/1095329182.db2.gz ZDUOABZGFMLACU-UHFFFAOYSA-N -1 0 340.305 2.838 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001600783636 1095330013 /nfs/dbraw/zinc/33/00/13/1095330013.db2.gz SFJBNMOEHCRUEH-LSDHHAIUSA-N -1 0 347.415 2.533 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796707009 1095338550 /nfs/dbraw/zinc/33/85/50/1095338550.db2.gz PTXOCPUANJHSFA-HOCLYGCPSA-N -1 0 336.457 2.956 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1C#N ZINC001600819934 1095353545 /nfs/dbraw/zinc/35/35/45/1095353545.db2.gz MYTSHJULNURNNR-SECBINFHSA-N -1 0 336.398 2.722 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001600822148 1095354874 /nfs/dbraw/zinc/35/48/74/1095354874.db2.gz GPRNRLWKOCNBRS-SFHVURJKSA-N -1 0 341.367 2.577 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600822232 1095355337 /nfs/dbraw/zinc/35/53/37/1095355337.db2.gz QEVROHVIQDJWDE-KRWDZBQOSA-N -1 0 346.770 2.929 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC001600832073 1095365350 /nfs/dbraw/zinc/36/53/50/1095365350.db2.gz LVRNXFWYXMNIBP-UHFFFAOYSA-N -1 0 328.372 2.943 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600837933 1095370494 /nfs/dbraw/zinc/37/04/94/1095370494.db2.gz HPBYULWFBNXASU-CQSZACIVSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1oc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001600845655 1095376840 /nfs/dbraw/zinc/37/68/40/1095376840.db2.gz FTTMGLPJIBCITP-KRWDZBQOSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1oc(COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600853478 1095384047 /nfs/dbraw/zinc/38/40/47/1095384047.db2.gz VADLCPKCEVZZPA-AWEZNQCLSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1onc(-c2ccccc2Cl)c1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600862601 1095387096 /nfs/dbraw/zinc/38/70/96/1095387096.db2.gz SGNOUJVQDSGYEV-UHFFFAOYSA-N -1 0 347.758 2.744 20 30 EFEDRM Cc1onc(CC(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1C#N ZINC001600864556 1095389121 /nfs/dbraw/zinc/38/91/21/1095389121.db2.gz PMIRMOSBLYVHDK-UHFFFAOYSA-N -1 0 343.339 2.521 20 30 EFEDRM Cc1sc(NC(=O)CN(C)[C@H]2CCC[C@H]2C#N)c(C(=O)[O-])c1C ZINC001600885852 1095407282 /nfs/dbraw/zinc/40/72/82/1095407282.db2.gz QEVKBUBELGODHE-RYUDHWBXSA-N -1 0 335.429 2.626 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001600899941 1095413369 /nfs/dbraw/zinc/41/33/69/1095413369.db2.gz YZPHKYWDCFBGOU-AWEZNQCLSA-N -1 0 331.416 2.830 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600898082 1095414364 /nfs/dbraw/zinc/41/43/64/1095414364.db2.gz JSGFQKDISJWHMS-QGZVFWFLSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001600908431 1095420965 /nfs/dbraw/zinc/42/09/65/1095420965.db2.gz BNNNEEZOEJCIQH-AWEZNQCLSA-N -1 0 333.347 2.690 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600927525 1095433337 /nfs/dbraw/zinc/43/33/37/1095433337.db2.gz PMSYCOXFCYBCAE-QGZVFWFLSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1cc(C=NNc2cccc(F)c2C(=O)[O-])c(-c2ccncc2)n1 ZINC001600944579 1095440574 /nfs/dbraw/zinc/44/05/74/1095440574.db2.gz ONZYVUSIYFLGCB-UHFFFAOYSA-N -1 0 339.330 2.765 20 30 EFEDRM Cn1nc2c(c1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1)CCCC2 ZINC001601018055 1095469140 /nfs/dbraw/zinc/46/91/40/1095469140.db2.gz WZVCXKQDVFMBFD-KHPPLWFESA-N -1 0 340.379 2.658 20 30 EFEDRM Cn1ncc(C2CCC2)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001601026764 1095471886 /nfs/dbraw/zinc/47/18/86/1095471886.db2.gz RMOSVKFRWGYWKJ-MRXNPFEDSA-N -1 0 339.351 2.542 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001601047896 1095478027 /nfs/dbraw/zinc/47/80/27/1095478027.db2.gz FMILXOQXBNLXDP-CYBMUJFWSA-N -1 0 343.408 2.871 20 30 EFEDRM N#C[C@H](C(=O)c1cncc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC001601047094 1095478218 /nfs/dbraw/zinc/47/82/18/1095478218.db2.gz ILDBMLQIZHJKCA-NSHDSACASA-N -1 0 335.241 2.684 20 30 EFEDRM N#C[C@H](COC(=O)Cc1cccc(C(=O)[O-])c1)Cc1cccs1 ZINC001601047748 1095478462 /nfs/dbraw/zinc/47/84/62/1095478462.db2.gz CMQKLFMALUVHJY-CYBMUJFWSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@H](COC(=O)Cc1ccc(C(=O)[O-])cc1)Cc1cccs1 ZINC001601049530 1095479539 /nfs/dbraw/zinc/47/95/39/1095479539.db2.gz ZFJREGKGSRUUTL-CYBMUJFWSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001601048184 1095479638 /nfs/dbraw/zinc/47/96/38/1095479638.db2.gz IOSLKPJWZJIEEL-SBMIAAHKSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001601048126 1095479693 /nfs/dbraw/zinc/47/96/93/1095479693.db2.gz HMOQWKIOSMLLPV-RNSXUZJQSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001601048186 1095479781 /nfs/dbraw/zinc/47/97/81/1095479781.db2.gz IOSLKPJWZJIEEL-YGOYTEALSA-N -1 0 327.167 2.785 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001601052408 1095481697 /nfs/dbraw/zinc/48/16/97/1095481697.db2.gz CDWVJBHQNZEDKK-UHFFFAOYSA-N -1 0 336.313 2.747 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC001601052769 1095481842 /nfs/dbraw/zinc/48/18/42/1095481842.db2.gz WJQJJGVXHLJZSF-UHFFFAOYSA-N -1 0 329.331 2.671 20 30 EFEDRM N#CC1(CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCOCC1 ZINC001601054245 1095482732 /nfs/dbraw/zinc/48/27/32/1095482732.db2.gz CVDPKTAZWRLWAB-UHFFFAOYSA-N -1 0 327.340 2.515 20 30 EFEDRM N#CC1(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCCCC1 ZINC001601055163 1095482852 /nfs/dbraw/zinc/48/28/52/1095482852.db2.gz SMIGQQJVOBLJSU-INIZCTEOSA-N -1 0 326.396 2.889 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(F)c2Cl)CC1 ZINC001601053002 1095482876 /nfs/dbraw/zinc/48/28/76/1095482876.db2.gz ZZPZTQOFOUWHPN-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC001601055254 1095483021 /nfs/dbraw/zinc/48/30/21/1095483021.db2.gz HLRIFWGSYKHCFS-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC001601055484 1095483115 /nfs/dbraw/zinc/48/31/15/1095483115.db2.gz KSJIILBPAMDMGL-UHFFFAOYSA-N -1 0 331.759 2.652 20 30 EFEDRM N#CC1(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])CCOCC1 ZINC001601054346 1095483291 /nfs/dbraw/zinc/48/32/91/1095483291.db2.gz DSZNHPPKDYNESB-UHFFFAOYSA-N -1 0 334.397 2.973 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC001601053369 1095483306 /nfs/dbraw/zinc/48/33/06/1095483306.db2.gz WEJVLPPHPFVWLP-AWEZNQCLSA-N -1 0 347.802 2.523 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC001601055513 1095483315 /nfs/dbraw/zinc/48/33/15/1095483315.db2.gz MFUMWLKYTKQCIA-UHFFFAOYSA-N -1 0 327.167 2.824 20 30 EFEDRM N#CC1(CC(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])CCOCC1 ZINC001601055122 1095483351 /nfs/dbraw/zinc/48/33/51/1095483351.db2.gz RSJPLWVIAGXPAR-UHFFFAOYSA-N -1 0 327.340 2.515 20 30 EFEDRM N#CC1(CC(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])CCCCC1 ZINC001601055449 1095483438 /nfs/dbraw/zinc/48/34/38/1095483438.db2.gz YRQMZQDEQKJYTA-MRXNPFEDSA-N -1 0 342.395 2.594 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001601053196 1095483482 /nfs/dbraw/zinc/48/34/82/1095483482.db2.gz BBSCZGGWORAIAU-UHFFFAOYSA-N -1 0 343.261 2.808 20 30 EFEDRM N#CC1(NC(=O)CNc2ccc3c(C(=O)[O-])c[nH]c3c2)CCCCC1 ZINC001601057170 1095484393 /nfs/dbraw/zinc/48/43/93/1095484393.db2.gz OHATWHXLCBBMRG-UHFFFAOYSA-N -1 0 340.383 2.621 20 30 EFEDRM N#C[C@@]1(NC(=O)/C=C\c2cc(C(=O)[O-])co2)CCc2ccccc2C1 ZINC001601056893 1095484508 /nfs/dbraw/zinc/48/45/08/1095484508.db2.gz DKHYTQZVUPOCSA-SFFCAUCYSA-N -1 0 336.347 2.558 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccsc2C(=O)[O-])C1 ZINC001601058524 1095484621 /nfs/dbraw/zinc/48/46/21/1095484621.db2.gz NCIAFZQZNKMBQD-QGZVFWFLSA-N -1 0 341.392 2.539 20 30 EFEDRM N#CC1(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCC1 ZINC001601056685 1095484826 /nfs/dbraw/zinc/48/48/26/1095484826.db2.gz VOTRDBRHSYRXIL-HZPDHXFCSA-N -1 0 341.411 2.580 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)cc2)CC1 ZINC001601058013 1095484881 /nfs/dbraw/zinc/48/48/81/1095484881.db2.gz GPYMVWSSTPOJKT-OXQOHEQNSA-N -1 0 338.407 2.959 20 30 EFEDRM N#CC1(c2ccc(COC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)cc2)CC1 ZINC001601058911 1095485028 /nfs/dbraw/zinc/48/50/28/1095485028.db2.gz SOAJECBCWQTUHP-JKSUJKDBSA-N -1 0 343.379 2.697 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC001601059336 1095485957 /nfs/dbraw/zinc/48/59/57/1095485957.db2.gz ZBXFTJPBAMZXBE-MRXNPFEDSA-N -1 0 336.347 2.503 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001601060008 1095485968 /nfs/dbraw/zinc/48/59/68/1095485968.db2.gz TXYWZGOWHKESLI-QMMMGPOBSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)cc2)CC1 ZINC001601059319 1095486402 /nfs/dbraw/zinc/48/64/02/1095486402.db2.gz YUUCBFYFQXNTKY-INIZCTEOSA-N -1 0 336.347 2.503 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001601060047 1095486496 /nfs/dbraw/zinc/48/64/96/1095486496.db2.gz VGNGJOSIIIXOFI-ZDUSSCGKSA-N -1 0 333.413 2.772 20 30 EFEDRM N#CC[C@@H](CC(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001601062076 1095486567 /nfs/dbraw/zinc/48/65/67/1095486567.db2.gz MEAXDRYOKPWKTN-LBPRGKRZSA-N -1 0 329.381 2.545 20 30 EFEDRM N#CC1CCC(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001601059348 1095486626 /nfs/dbraw/zinc/48/66/26/1095486626.db2.gz DHPOBIIFOOBGAO-UHFFFAOYSA-N -1 0 339.395 2.855 20 30 EFEDRM N#CC[C@H](CC(=O)Nc1nc2n(c1C(=O)[O-])CCC2)c1ccccc1 ZINC001601061732 1095486645 /nfs/dbraw/zinc/48/66/45/1095486645.db2.gz GFRCAZFTWMXFSX-CYBMUJFWSA-N -1 0 338.367 2.554 20 30 EFEDRM N#CC[C@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC001601060672 1095486791 /nfs/dbraw/zinc/48/67/91/1095486791.db2.gz LIUKNPKTVIIJJL-SWLSCSKDSA-N -1 0 340.301 2.549 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001601065446 1095487711 /nfs/dbraw/zinc/48/77/11/1095487711.db2.gz KWNSMIFMWBKPNC-UHFFFAOYSA-N -1 0 328.324 2.842 20 30 EFEDRM N#CCCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001601066998 1095488106 /nfs/dbraw/zinc/48/81/06/1095488106.db2.gz SYFLQAOADHPBAI-INIZCTEOSA-N -1 0 337.379 2.874 20 30 EFEDRM N#CCC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001601066228 1095488157 /nfs/dbraw/zinc/48/81/57/1095488157.db2.gz HZGSFVSKQISFOE-ALYAQQCSSA-N -1 0 341.411 2.830 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC001601067047 1095488213 /nfs/dbraw/zinc/48/82/13/1095488213.db2.gz OVFQQEBRJPMTCQ-CYBMUJFWSA-N -1 0 349.337 2.783 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001601065087 1095488318 /nfs/dbraw/zinc/48/83/18/1095488318.db2.gz CICNUYVIMSSZKM-UHFFFAOYSA-N -1 0 346.387 2.531 20 30 EFEDRM N#CCCCN1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001601065816 1095488332 /nfs/dbraw/zinc/48/83/32/1095488332.db2.gz WSPCPPLIVBAPTI-UHFFFAOYSA-N -1 0 339.189 2.645 20 30 EFEDRM N#CCC1CN(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001601064343 1095488338 /nfs/dbraw/zinc/48/83/38/1095488338.db2.gz UHBJYGRWDPXYFC-UHFFFAOYSA-N -1 0 338.161 2.525 20 30 EFEDRM N#CCCc1ccc(NC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)cc1 ZINC001601068575 1095489527 /nfs/dbraw/zinc/48/95/27/1095489527.db2.gz HBXLQTMFPVMWFU-UHFFFAOYSA-N -1 0 339.355 2.628 20 30 EFEDRM N#CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001601067127 1095489710 /nfs/dbraw/zinc/48/97/10/1095489710.db2.gz UHQGWOHFQQMLQB-GVDBMIGSSA-N -1 0 344.411 2.950 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccccc1Oc1ccccc1C#N ZINC001601072114 1095489816 /nfs/dbraw/zinc/48/98/16/1095489816.db2.gz NYGZFMQZBNHPDX-UHFFFAOYSA-N -1 0 349.346 2.791 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001601069376 1095489831 /nfs/dbraw/zinc/48/98/31/1095489831.db2.gz KYNYPHUQGLUDER-UHFFFAOYSA-N -1 0 345.742 2.578 20 30 EFEDRM N#CCCc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001601068953 1095490103 /nfs/dbraw/zinc/49/01/03/1095490103.db2.gz ZOGQXSSKJHNACS-KSSFIOAISA-N -1 0 327.384 2.861 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(COc2ccccc2)cc1 ZINC001601069230 1095490115 /nfs/dbraw/zinc/49/01/15/1095490115.db2.gz BCKRDXYCAGFNMS-UHFFFAOYSA-N -1 0 338.363 2.706 20 30 EFEDRM N#CCSCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001601075643 1095491099 /nfs/dbraw/zinc/49/10/99/1095491099.db2.gz ICLFKNKDMKBIKP-LLVKDONJSA-N -1 0 334.180 2.919 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001601075228 1095491219 /nfs/dbraw/zinc/49/12/19/1095491219.db2.gz DDCPIBVTNRYPQT-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#CCOc1cccc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001601075863 1095491449 /nfs/dbraw/zinc/49/14/49/1095491449.db2.gz RIESIKHMKJBMMR-UHFFFAOYSA-N -1 0 335.319 2.928 20 30 EFEDRM N#CCSc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2N)c1 ZINC001601075394 1095491529 /nfs/dbraw/zinc/49/15/29/1095491529.db2.gz LKNIFPMMQQUOJJ-UHFFFAOYSA-N -1 0 327.365 2.835 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001601073986 1095491722 /nfs/dbraw/zinc/49/17/22/1095491722.db2.gz FOURCFBGSXCJPF-UHFFFAOYSA-N -1 0 334.715 2.626 20 30 EFEDRM N#CCOc1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001601073772 1095491924 /nfs/dbraw/zinc/49/19/24/1095491924.db2.gz NDWRMFPTDVUGSF-UHFFFAOYSA-N -1 0 338.363 2.536 20 30 EFEDRM N#CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001601076276 1095492624 /nfs/dbraw/zinc/49/26/24/1095492624.db2.gz YPMHDNPUJQFOGS-VQIMIIECSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001601076274 1095492651 /nfs/dbraw/zinc/49/26/51/1095492651.db2.gz YPMHDNPUJQFOGS-LPHOPBHVSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCc1ccc(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001601076674 1095492658 /nfs/dbraw/zinc/49/26/58/1095492658.db2.gz OSICGAFQGPYLQV-FXAWDEMLSA-N -1 0 334.375 2.627 20 30 EFEDRM N#CCc1cccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001601077511 1095493057 /nfs/dbraw/zinc/49/30/57/1095493057.db2.gz GASALQYLADTBOC-UHFFFAOYSA-N -1 0 326.264 2.578 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)N[C@H](CF)C(=O)[O-])cc2)cc1 ZINC001601077365 1095493112 /nfs/dbraw/zinc/49/31/12/1095493112.db2.gz ZOZZPOKVTWZGFG-MRXNPFEDSA-N -1 0 342.326 2.697 20 30 EFEDRM N#CCc1ccccc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001601078417 1095493509 /nfs/dbraw/zinc/49/35/09/1095493509.db2.gz LXRSQTHTUTYEAH-LLVKDONJSA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCn1c(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC001601078924 1095494552 /nfs/dbraw/zinc/49/45/52/1095494552.db2.gz JIYUHNWKEQQFSX-HNNXBMFYSA-N -1 0 325.368 2.634 20 30 EFEDRM N#Cc1c(COC(=O)c2nc3cccnc3s2)cccc1C(=O)[O-] ZINC001601080523 1095494742 /nfs/dbraw/zinc/49/47/42/1095494742.db2.gz PATACLMGDQFMIK-UHFFFAOYSA-N -1 0 339.332 2.618 20 30 EFEDRM N#Cc1c(Cn2c(=O)sc3c2cccc3F)cccc1C(=O)[O-] ZINC001601080625 1095495053 /nfs/dbraw/zinc/49/50/53/1095495053.db2.gz GMYWYUJAKRSFHU-UHFFFAOYSA-N -1 0 328.324 2.820 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001601079370 1095495115 /nfs/dbraw/zinc/49/51/15/1095495115.db2.gz LEYZAAARSFOCMG-JGVFFNPUSA-N -1 0 325.727 2.991 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001601078612 1095495194 /nfs/dbraw/zinc/49/51/94/1095495194.db2.gz RSYOPASJLKAWLU-CQSZACIVSA-N -1 0 342.330 2.624 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001601079138 1095495214 /nfs/dbraw/zinc/49/52/14/1095495214.db2.gz OYVYTQMRNXMCPJ-UHFFFAOYSA-N -1 0 342.376 2.547 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001601080829 1095496452 /nfs/dbraw/zinc/49/64/52/1095496452.db2.gz JYMIDUBUHTYSPE-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM N#Cc1c(F)cccc1CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001601082296 1095496484 /nfs/dbraw/zinc/49/64/84/1095496484.db2.gz JRIKSQUZYMFPAM-INIZCTEOSA-N -1 0 330.290 2.689 20 30 EFEDRM N#Cc1c(CN2CCOC[C@@H]2c2cccc(F)c2)cccc1C(=O)[O-] ZINC001601081563 1095496538 /nfs/dbraw/zinc/49/65/38/1095496538.db2.gz IMHISFZJXYACTA-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1c(COC(=O)c2csc(C3CC3)n2)cccc1C(=O)[O-] ZINC001601081107 1095496608 /nfs/dbraw/zinc/49/66/08/1095496608.db2.gz XRSLWIDMAFTOED-UHFFFAOYSA-N -1 0 328.349 2.947 20 30 EFEDRM N#Cc1c(C(F)F)cccc1N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001601080868 1095496754 /nfs/dbraw/zinc/49/67/54/1095496754.db2.gz DXSHWYZJMUERIV-SNVBAGLBSA-N -1 0 347.325 2.627 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001601081022 1095496796 /nfs/dbraw/zinc/49/67/96/1095496796.db2.gz HKFBPTZIKZLYRM-KRWDZBQOSA-N -1 0 345.358 2.691 20 30 EFEDRM N#Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1F ZINC001601084964 1095497633 /nfs/dbraw/zinc/49/76/33/1095497633.db2.gz QONGETOTUBDIRX-IBGZPJMESA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1c(COC(=O)Cc2ccc3c(c2)NCC3)cccc1C(=O)[O-] ZINC001601083482 1095497825 /nfs/dbraw/zinc/49/78/25/1095497825.db2.gz GNIMLEWNPKWDLT-UHFFFAOYSA-N -1 0 336.347 2.510 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(Cl)c(N)c2)cccc1C(=O)[O-] ZINC001601083449 1095497957 /nfs/dbraw/zinc/49/79/57/1095497957.db2.gz FUHRUTULCHOYAH-UHFFFAOYSA-N -1 0 330.727 2.849 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cccc1C(=O)[O-] ZINC001601083563 1095498204 /nfs/dbraw/zinc/49/82/04/1095498204.db2.gz JNFNVKVLBGGGJR-BPQIPLTHSA-N -1 0 333.343 2.886 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCNc3ccccc32)cccc1C(=O)[O-] ZINC001601083675 1095498209 /nfs/dbraw/zinc/49/82/09/1095498209.db2.gz NIXPALSUUHJEPV-OAHLLOKOSA-N -1 0 336.347 2.899 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC001601086515 1095499023 /nfs/dbraw/zinc/49/90/23/1095499023.db2.gz UKJCZOODZUXGJE-UHFFFAOYSA-N -1 0 328.299 2.803 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)ccc1F ZINC001601085928 1095499138 /nfs/dbraw/zinc/49/91/38/1095499138.db2.gz QGOJIANZDZXERW-JZLYGMAVSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cnc1C(F)(F)F ZINC001601086302 1095499169 /nfs/dbraw/zinc/49/91/69/1095499169.db2.gz IWHSPOQITCGORN-UHFFFAOYSA-N -1 0 349.268 2.851 20 30 EFEDRM N#Cc1cc(Cl)ccc1NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001601086841 1095499272 /nfs/dbraw/zinc/49/92/72/1095499272.db2.gz LJLTXAZOGXNDEJ-UHFFFAOYSA-N -1 0 332.747 2.525 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ccn1 ZINC001601086238 1095499631 /nfs/dbraw/zinc/49/96/31/1095499631.db2.gz FIZWELUZWXHRJQ-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001601088407 1095500249 /nfs/dbraw/zinc/50/02/49/1095500249.db2.gz VJHXQMPVHSIQBN-RISCZKNCSA-N -1 0 325.290 2.806 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601089392 1095500580 /nfs/dbraw/zinc/50/05/80/1095500580.db2.gz JBJNLDOUUMVYET-INIZCTEOSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1cc(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)cnc1C(F)(F)F ZINC001601088517 1095500769 /nfs/dbraw/zinc/50/07/69/1095500769.db2.gz WVIUIRGCJGVYNG-KCJUWKMLSA-N -1 0 340.257 2.548 20 30 EFEDRM N#Cc1cc(OCc2cncc(C(=O)[O-])c2)ccc1Br ZINC001601088793 1095500989 /nfs/dbraw/zinc/50/09/89/1095500989.db2.gz DNPNKSSSFGAFPT-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1cc(O)cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC001601088861 1095501143 /nfs/dbraw/zinc/50/11/43/1095501143.db2.gz HGBUCMJSDWBACZ-UHFFFAOYSA-N -1 0 342.376 2.834 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(C(=O)[O-])s3)CC2)c1 ZINC001601089853 1095502279 /nfs/dbraw/zinc/50/22/79/1095502279.db2.gz VSASUZPKWJMFIG-UHFFFAOYSA-N -1 0 344.367 2.805 20 30 EFEDRM N#Cc1cc(NC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1C1CC1 ZINC001601090848 1095502439 /nfs/dbraw/zinc/50/24/39/1095502439.db2.gz XGIAISCSSLKAEF-STQMWFEESA-N -1 0 335.310 2.523 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001601089667 1095502697 /nfs/dbraw/zinc/50/26/97/1095502697.db2.gz QCQBEIISTJXLJS-OAHLLOKOSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601091505 1095502719 /nfs/dbraw/zinc/50/27/19/1095502719.db2.gz NUTCRQWRKGKFKW-HNNXBMFYSA-N -1 0 336.326 2.921 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC001601090856 1095502753 /nfs/dbraw/zinc/50/27/53/1095502753.db2.gz XULGXSYIHCHUPJ-VHSXEESVSA-N -1 0 328.246 2.506 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601091220 1095502806 /nfs/dbraw/zinc/50/28/06/1095502806.db2.gz WKLLYAQUGLGOAD-AWEZNQCLSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1cc(NCc2cc(C(=O)[O-])no2)ccc1OC(F)(F)F ZINC001601089742 1095502813 /nfs/dbraw/zinc/50/28/13/1095502813.db2.gz WTAJLFSSIMZJFE-UHFFFAOYSA-N -1 0 327.218 2.755 20 30 EFEDRM N#Cc1cc(NC[C@H](C(=O)[O-])c2ccccc2)ncc1Br ZINC001601090765 1095502915 /nfs/dbraw/zinc/50/29/15/1095502915.db2.gz SEXKAVLTPGPIIB-LBPRGKRZSA-N -1 0 346.184 2.996 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601090960 1095502937 /nfs/dbraw/zinc/50/29/37/1095502937.db2.gz DEMNMSRCWFLESW-ZJUUUORDSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1ccc(C(=O)COC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001601091809 1095503024 /nfs/dbraw/zinc/50/30/24/1095503024.db2.gz AMWCIPMQUKLJQP-UHFFFAOYSA-N -1 0 343.722 2.950 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])s1 ZINC001601093393 1095503656 /nfs/dbraw/zinc/50/36/56/1095503656.db2.gz MSRBKKAPHZZFRH-UHFFFAOYSA-N -1 0 333.394 2.834 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)[nH]1 ZINC001601093785 1095503780 /nfs/dbraw/zinc/50/37/80/1095503780.db2.gz GOZSXRQOIXURPJ-LBPRGKRZSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)nc1Cl ZINC001601093281 1095503863 /nfs/dbraw/zinc/50/38/63/1095503863.db2.gz JDVSLLSRZWIVEQ-UHFFFAOYSA-N -1 0 337.669 2.835 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001601092136 1095503880 /nfs/dbraw/zinc/50/38/80/1095503880.db2.gz BFOIFZUVKUPYRL-UHFFFAOYSA-N -1 0 346.346 2.623 20 30 EFEDRM N#Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1Cl ZINC001601092863 1095504480 /nfs/dbraw/zinc/50/44/80/1095504480.db2.gz RXHOOCIOACVPLN-UHFFFAOYSA-N -1 0 342.782 2.981 20 30 EFEDRM N#Cc1ccc(Br)c(COC(=O)CCCC(=O)[O-])c1 ZINC001601092699 1095504488 /nfs/dbraw/zinc/50/44/88/1095504488.db2.gz JSPFBQBUPVAQAJ-UHFFFAOYSA-N -1 0 326.146 2.619 20 30 EFEDRM N#Cc1ccc(C(=O)COC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001601093161 1095504553 /nfs/dbraw/zinc/50/45/53/1095504553.db2.gz WJEOZFHIMURDMI-UHFFFAOYSA-N -1 0 337.331 2.615 20 30 EFEDRM N#Cc1ccc(C(=O)COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001601092928 1095504565 /nfs/dbraw/zinc/50/45/65/1095504565.db2.gz TYKGDGDVZYFNRA-UHFFFAOYSA-N -1 0 341.363 2.709 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)nc1Cl ZINC001601092528 1095504601 /nfs/dbraw/zinc/50/46/01/1095504601.db2.gz MWFOYSSSDYHACN-DYEKYZERSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001601091964 1095504655 /nfs/dbraw/zinc/50/46/55/1095504655.db2.gz IOJLBDBLOMLLBI-CQSZACIVSA-N -1 0 346.745 2.949 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CSC[C@@H]2CCCCO2)C(=O)[O-])cc1 ZINC001601095827 1095506425 /nfs/dbraw/zinc/50/64/25/1095506425.db2.gz DDZVAABILSFVCI-GOEBONIOSA-N -1 0 349.408 2.529 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCOc3cc(F)ccc3C2)cc1 ZINC001601095501 1095506605 /nfs/dbraw/zinc/50/66/05/1095506605.db2.gz SRILCKDXUXROSJ-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001601095399 1095506683 /nfs/dbraw/zinc/50/66/83/1095506683.db2.gz PLBUABSENQSQOT-LBPRGKRZSA-N -1 0 341.797 2.873 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H](O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601096337 1095507872 /nfs/dbraw/zinc/50/78/72/1095507872.db2.gz SFUNAWAVPUJUPH-LSDHHAIUSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCNc3ccccc32)C(=O)[O-])cc1 ZINC001601095975 1095508924 /nfs/dbraw/zinc/50/89/24/1095508924.db2.gz JETCLCGLXJYQFZ-DOTOQJQBSA-N -1 0 336.347 2.827 20 30 EFEDRM N#Cc1ccc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC001601097655 1095509623 /nfs/dbraw/zinc/50/96/23/1095509623.db2.gz BWLHIWVJLDIPPR-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)ccc2N)C(=O)[O-])cc1 ZINC001601098739 1095509723 /nfs/dbraw/zinc/50/97/23/1095509723.db2.gz AYDDNERFBDPOLR-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC001601097661 1095509765 /nfs/dbraw/zinc/50/97/65/1095509765.db2.gz BWLHIWVJLDIPPR-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc(CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)cn1 ZINC001601099110 1095510180 /nfs/dbraw/zinc/51/01/80/1095510180.db2.gz FZCIODQYQLGBBE-QGZVFWFLSA-N -1 0 336.347 2.815 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)c3ccoc3CC(=O)[O-])CC2)cc1 ZINC001601097908 1095510405 /nfs/dbraw/zinc/51/04/05/1095510405.db2.gz PHVZAXQLDSBFKN-UHFFFAOYSA-N -1 0 338.363 2.798 20 30 EFEDRM N#Cc1ccc(CC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)cc1 ZINC001601098689 1095510438 /nfs/dbraw/zinc/51/04/38/1095510438.db2.gz WLONTBZBTVIHCS-UHFFFAOYSA-N -1 0 348.358 2.904 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001601098923 1095510610 /nfs/dbraw/zinc/51/06/10/1095510610.db2.gz AYFSKYYHVDJFQS-OAHLLOKOSA-N -1 0 345.358 2.528 20 30 EFEDRM N#Cc1ccc(CNC(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC001601099634 1095511777 /nfs/dbraw/zinc/51/17/77/1095511777.db2.gz DGPWFOZVZXWYFO-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nncn2CC(F)(F)F)C(=O)[O-])cc1 ZINC001601099821 1095511977 /nfs/dbraw/zinc/51/19/77/1095511977.db2.gz VNUBPNJOVJJTQO-SNVBAGLBSA-N -1 0 342.302 2.630 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601099320 1095512140 /nfs/dbraw/zinc/51/21/40/1095512140.db2.gz KOXWCLCFQIVLOP-QGZVFWFLSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cc(C(=O)[O-])co2)c(OC(F)F)c1 ZINC001601102220 1095512940 /nfs/dbraw/zinc/51/29/40/1095512940.db2.gz GVLSVQMRMUTLQC-UHFFFAOYSA-N -1 0 337.234 2.808 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2cccc(C(=O)[O-])n2)cc1 ZINC001601103306 1095513592 /nfs/dbraw/zinc/51/35/92/1095513592.db2.gz LTRUOMABHFXOQZ-UHFFFAOYSA-N -1 0 342.376 2.628 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001601103044 1095513619 /nfs/dbraw/zinc/51/36/19/1095513619.db2.gz ZUYKMBXVECEYKD-UHFFFAOYSA-N -1 0 331.328 2.982 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001601101220 1095513627 /nfs/dbraw/zinc/51/36/27/1095513627.db2.gz CWOFOIGBFSQPPM-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#Cc1ccc(COc2ccc(Br)nc2C(=O)[O-])cc1 ZINC001601102350 1095514029 /nfs/dbraw/zinc/51/40/29/1095514029.db2.gz NYMOXRYGNZFREB-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc(Cn2cc(NC(=O)c3ccccc3C(=O)[O-])cn2)cc1 ZINC001601103380 1095514689 /nfs/dbraw/zinc/51/46/89/1095514689.db2.gz DNWGEIZGDZYUDW-UHFFFAOYSA-N -1 0 346.346 2.754 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c([N+](=O)[O-])c1 ZINC001601104114 1095514871 /nfs/dbraw/zinc/51/48/71/1095514871.db2.gz CQMSETFCKGTSQU-SNVBAGLBSA-N -1 0 344.352 2.615 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601105539 1095515150 /nfs/dbraw/zinc/51/51/50/1095515150.db2.gz AEJRORZWQAEFNA-AWEZNQCLSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1ccc(Cn2nc(C(=O)[O-])nc2Cl)c(C(F)(F)F)c1 ZINC001601103399 1095515441 /nfs/dbraw/zinc/51/54/41/1095515441.db2.gz DSWUTQKYJRJXCE-UHFFFAOYSA-N -1 0 330.653 2.568 20 30 EFEDRM N#Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c(Cl)c1 ZINC001601106776 1095515482 /nfs/dbraw/zinc/51/54/82/1095515482.db2.gz CFUOEVLINZDWLW-UHFFFAOYSA-N -1 0 332.747 2.525 20 30 EFEDRM N#Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c(C2CC2)c1 ZINC001601107147 1095516015 /nfs/dbraw/zinc/51/60/15/1095516015.db2.gz SNEHTRVASJBUIZ-UHFFFAOYSA-N -1 0 338.367 2.749 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC001601109336 1095516424 /nfs/dbraw/zinc/51/64/24/1095516424.db2.gz OUNBGUGTKPBAJR-UHFFFAOYSA-N -1 0 337.335 2.552 20 30 EFEDRM N#Cc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1C(F)(F)F ZINC001601108845 1095516438 /nfs/dbraw/zinc/51/64/38/1095516438.db2.gz WSTONRNGYKNTLA-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001601108636 1095516762 /nfs/dbraw/zinc/51/67/62/1095516762.db2.gz NIIOOBJZAYIHDZ-VHSXEESVSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(OC2CCN(C(=O)CCCCC(=O)[O-])CC2)c(F)c1 ZINC001601109222 1095517235 /nfs/dbraw/zinc/51/72/35/1095517235.db2.gz KDBGLJLBJNPPIG-UHFFFAOYSA-N -1 0 348.374 2.712 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001601113447 1095517710 /nfs/dbraw/zinc/51/77/10/1095517710.db2.gz DUOMNSXJRCZAOV-UHFFFAOYSA-N -1 0 340.404 2.707 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001601110363 1095518839 /nfs/dbraw/zinc/51/88/39/1095518839.db2.gz VEUFAFDWWZJDGA-GFCCVEGCSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001601110120 1095518864 /nfs/dbraw/zinc/51/88/64/1095518864.db2.gz IOUUYYDSJQELRI-CYBMUJFWSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(OCc2ccc(C(=O)OC3(C(=O)[O-])CC3)o2)cc1 ZINC001601109646 1095518949 /nfs/dbraw/zinc/51/89/49/1095518949.db2.gz GVRBWUVBBTXBGI-UHFFFAOYSA-N -1 0 327.292 2.504 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C2 ZINC001601115538 1095519469 /nfs/dbraw/zinc/51/94/69/1095519469.db2.gz PIOCUDDWGCUZNB-UHFFFAOYSA-N -1 0 325.299 2.943 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C2 ZINC001601114104 1095520290 /nfs/dbraw/zinc/52/02/90/1095520290.db2.gz JYBZLBQFTXJAHH-CQSZACIVSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC001601115296 1095520476 /nfs/dbraw/zinc/52/04/76/1095520476.db2.gz QYCJAWFTQWJULK-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001601115770 1095520888 /nfs/dbraw/zinc/52/08/88/1095520888.db2.gz UJCBMHUVVGATCA-UHFFFAOYSA-N -1 0 345.358 2.800 20 30 EFEDRM N#Cc1cccc([C@H](N[C@@H]2c3ccccc3OC[C@@H]2F)C(=O)[O-])c1 ZINC001601117243 1095521049 /nfs/dbraw/zinc/52/10/49/1095521049.db2.gz AECLGPGNOSGNHL-BHYGNILZSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(OCCCO)cc2)C(=O)[O-])c1 ZINC001601117830 1095521535 /nfs/dbraw/zinc/52/15/35/1095521535.db2.gz FQBJHZNVPAXGSE-KRWDZBQOSA-N -1 0 326.352 2.557 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3N)on2)c1 ZINC001601116078 1095522158 /nfs/dbraw/zinc/52/21/58/1095522158.db2.gz JIONDAMTQUTNSX-UHFFFAOYSA-N -1 0 348.318 2.746 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(O)ccc2Cl)C(=O)[O-])c1 ZINC001601118523 1095523238 /nfs/dbraw/zinc/52/32/38/1095523238.db2.gz WZJVQQGDJYFRGG-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCN(c3cccs3)CC2)c1 ZINC001601119021 1095523280 /nfs/dbraw/zinc/52/32/80/1095523280.db2.gz NFFPZVLFASDUHZ-INIZCTEOSA-N -1 0 327.409 2.568 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)c2cc(C(=O)[O-])ccn2)C(F)(F)F)c1 ZINC001601119805 1095525123 /nfs/dbraw/zinc/52/51/23/1095525123.db2.gz YRBWDEFAIIEYLB-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)c1 ZINC001601120469 1095525216 /nfs/dbraw/zinc/52/52/16/1095525216.db2.gz WAAMZAXLTVACPZ-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)c2cc(C(=O)[O-])ccn2)C(F)(F)F)c1 ZINC001601119804 1095525659 /nfs/dbraw/zinc/52/56/59/1095525659.db2.gz YRBWDEFAIIEYLB-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1cccc(OCC(=O)O[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001601121079 1095526084 /nfs/dbraw/zinc/52/60/84/1095526084.db2.gz BCPCVNHPZWMKLQ-INIZCTEOSA-N -1 0 331.368 2.904 20 30 EFEDRM N#Cc1cccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC001601123365 1095527032 /nfs/dbraw/zinc/52/70/32/1095527032.db2.gz YAUOGPVFZJVNSY-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1cccc(OCC(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC001601121309 1095527041 /nfs/dbraw/zinc/52/70/41/1095527041.db2.gz HNPDPIMOOAQATQ-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cccc(OCCCN2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001601123404 1095527163 /nfs/dbraw/zinc/52/71/63/1095527163.db2.gz ADDZZPLKDDKIOL-GOSISDBHSA-N -1 0 338.363 2.679 20 30 EFEDRM N#Cc1cccc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n1 ZINC001601122356 1095527172 /nfs/dbraw/zinc/52/71/72/1095527172.db2.gz JIJAYCCARQWWRQ-UHFFFAOYSA-N -1 0 342.424 2.563 20 30 EFEDRM N#Cc1cccc(OCCCON=C(N)c2cccc(C(=O)[O-])c2)c1 ZINC001601123774 1095527398 /nfs/dbraw/zinc/52/73/98/1095527398.db2.gz SAJDCIAUJFYAKN-UHFFFAOYSA-N -1 0 339.351 2.572 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])c1Cl ZINC001601121449 1095527849 /nfs/dbraw/zinc/52/78/49/1095527849.db2.gz OYZFZTMPLCDPFL-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)NCc1ccc(C(=O)[O-])s1)C2 ZINC001601124589 1095528743 /nfs/dbraw/zinc/52/87/43/1095528743.db2.gz UKMDTUHMJYBQSL-UHFFFAOYSA-N -1 0 327.365 2.543 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1 ZINC001601124641 1095529046 /nfs/dbraw/zinc/52/90/46/1095529046.db2.gz PVNHKFPQIGNDOD-DBHDPKECSA-N -1 0 325.364 2.704 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601124871 1095529242 /nfs/dbraw/zinc/52/92/42/1095529242.db2.gz WNSOHCHEYKIMMX-GBESFXJTSA-N -1 0 348.402 2.864 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC001601124245 1095529451 /nfs/dbraw/zinc/52/94/51/1095529451.db2.gz HIJBGHUTQWWIKA-OTWHNJEPSA-N -1 0 346.386 2.700 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1COc1ccc(C(=O)[O-])cc1C=O ZINC001601124246 1095529472 /nfs/dbraw/zinc/52/94/72/1095529472.db2.gz HISXRDACYKUGII-UHFFFAOYSA-N -1 0 326.264 2.556 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001601124838 1095529503 /nfs/dbraw/zinc/52/95/03/1095529503.db2.gz UPPUIUMMOXOMFX-ZMSDIMECSA-N -1 0 338.338 2.743 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001601124813 1095529637 /nfs/dbraw/zinc/52/96/37/1095529637.db2.gz TZMVASQNWLQDKB-JCECYMMASA-N -1 0 338.407 2.906 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001601127353 1095530493 /nfs/dbraw/zinc/53/04/93/1095530493.db2.gz IRJOTOKGCKEKJI-UHFFFAOYSA-N -1 0 336.347 2.945 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001601126409 1095530619 /nfs/dbraw/zinc/53/06/19/1095530619.db2.gz XFWCMUZZBMXQPX-YFHOEESVSA-N -1 0 347.374 2.858 20 30 EFEDRM N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC001601127786 1095530632 /nfs/dbraw/zinc/53/06/32/1095530632.db2.gz RQSDCDMPTFTYGQ-AWEZNQCLSA-N -1 0 344.367 2.862 20 30 EFEDRM N#Cc1ccccc1N(C(=O)c1csc(C(=O)[O-])n1)C1CCC1 ZINC001601125607 1095530656 /nfs/dbraw/zinc/53/06/56/1095530656.db2.gz PCCPBGQLVQVSEI-UHFFFAOYSA-N -1 0 327.365 2.912 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001601125242 1095531029 /nfs/dbraw/zinc/53/10/29/1095531029.db2.gz FSJRFRGVOOAGPU-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001601125798 1095531239 /nfs/dbraw/zinc/53/12/39/1095531239.db2.gz KDMBAFDHGLSIPX-CLFYSBASSA-N -1 0 336.347 2.933 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cc(C(=O)[O-])co1 ZINC001601130254 1095532141 /nfs/dbraw/zinc/53/21/41/1095532141.db2.gz BWWSSINKRSRSPR-UHFFFAOYSA-N -1 0 347.252 2.849 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001601129582 1095533014 /nfs/dbraw/zinc/53/30/14/1095533014.db2.gz KCIIKOXTKLJVNZ-ZETCQYMHSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001601133046 1095534166 /nfs/dbraw/zinc/53/41/66/1095534166.db2.gz JDZRRINBXPBWGJ-GFCCVEGCSA-N -1 0 329.253 2.522 20 30 EFEDRM N#Cc1cscc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001601132343 1095534364 /nfs/dbraw/zinc/53/43/64/1095534364.db2.gz ROHKYFDKCZVOLG-UHFFFAOYSA-N -1 0 344.392 2.793 20 30 EFEDRM N#Cc1csc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001601132257 1095534465 /nfs/dbraw/zinc/53/44/65/1095534465.db2.gz NOWVQUZTZMNFEW-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001601132622 1095534816 /nfs/dbraw/zinc/53/48/16/1095534816.db2.gz ADXZRJBBPGWWOE-LBPRGKRZSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001601133536 1095535221 /nfs/dbraw/zinc/53/52/21/1095535221.db2.gz QHUMKEHLMHPPMW-CYBMUJFWSA-N -1 0 345.362 2.589 20 30 EFEDRM N#Cc1sccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601136227 1095536472 /nfs/dbraw/zinc/53/64/72/1095536472.db2.gz LQLVYFABJNDMHP-ZIAGYGMSSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001601134820 1095536751 /nfs/dbraw/zinc/53/67/51/1095536751.db2.gz PAPNIMUXMKBVRQ-AWEZNQCLSA-N -1 0 339.351 2.953 20 30 EFEDRM N#Cc1sc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)nc1Cl ZINC001601136017 1095536758 /nfs/dbraw/zinc/53/67/58/1095536758.db2.gz AMZHOINXGPKDKY-QMMMGPOBSA-N -1 0 342.808 2.823 20 30 EFEDRM O=C([O-])[C@H]1CCc2sc(NC(=O)CC#Cc3ccccc3)nc2C1 ZINC001601243465 1095574874 /nfs/dbraw/zinc/57/48/74/1095574874.db2.gz BSJOFDRHDFFBLC-ZDUSSCGKSA-N -1 0 340.404 2.713 20 30 EFEDRM O=C([O-])CCCCON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001601989185 1096010363 /nfs/dbraw/zinc/01/03/63/1096010363.db2.gz PQAOGLRFLRMNFJ-UHFFFAOYSA-N -1 0 335.360 2.800 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3nc(-c4cccnc4)no3)c2c1 ZINC001602410763 1096229919 /nfs/dbraw/zinc/22/99/19/1096229919.db2.gz OBCMIGNXZBJADF-UHFFFAOYSA-N -1 0 348.322 2.757 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2cc(=O)[nH]c(C3CC3)c2)c1 ZINC001602430653 1096241324 /nfs/dbraw/zinc/24/13/24/1096241324.db2.gz OJMIXYXRSJTJRW-UHFFFAOYSA-N -1 0 337.331 2.571 20 30 EFEDRM O=C([O-])c1cccc(OCCON=C2CCOc3ccccc32)c1 ZINC001602448202 1096249747 /nfs/dbraw/zinc/24/97/47/1096249747.db2.gz MFKQAQQTASRKTG-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM O=C([O-])c1coc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1 ZINC001602551538 1096294863 /nfs/dbraw/zinc/29/48/63/1096294863.db2.gz GLNVHLPAJSODJC-XFSBKJJWSA-N -1 0 333.227 2.684 20 30 EFEDRM C#C[C@@H](C)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001602669808 1096344529 /nfs/dbraw/zinc/34/45/29/1096344529.db2.gz CHQUUXRGBGQMGA-SSDOTTSWSA-N -1 0 325.162 2.599 20 30 EFEDRM C#C[C@@H](C)NC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602670642 1096344693 /nfs/dbraw/zinc/34/46/93/1096344693.db2.gz ZEFUBRDDXBIQFQ-BXKDBHETSA-N -1 0 328.290 2.542 20 30 EFEDRM C#C[C@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001602672245 1096344719 /nfs/dbraw/zinc/34/47/19/1096344719.db2.gz BHQYANGULOHDCG-ZDUSSCGKSA-N -1 0 328.343 2.827 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001602671236 1096344779 /nfs/dbraw/zinc/34/47/79/1096344779.db2.gz PCDNQBCALBESGU-OAHLLOKOSA-N -1 0 339.347 2.927 20 30 EFEDRM C#C[C@](C)(CC)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001602670152 1096344898 /nfs/dbraw/zinc/34/48/98/1096344898.db2.gz NKFHUKXQQCHBGD-GOSISDBHSA-N -1 0 340.383 2.802 20 30 EFEDRM C#C[C@@H](NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C)c1ccc(F)cc1 ZINC001602672244 1096344947 /nfs/dbraw/zinc/34/49/47/1096344947.db2.gz BHQYANGULOHDCG-CYBMUJFWSA-N -1 0 328.343 2.827 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001602672230 1096344963 /nfs/dbraw/zinc/34/49/63/1096344963.db2.gz BDDWGASJOQCBHK-AWEZNQCLSA-N -1 0 343.770 2.607 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC001602674544 1096345801 /nfs/dbraw/zinc/34/58/01/1096345801.db2.gz QYRQARPDJUDLJD-MRXNPFEDSA-N -1 0 338.363 2.567 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001602675036 1096346067 /nfs/dbraw/zinc/34/60/67/1096346067.db2.gz YGFOQBDDPSBTNJ-INIZCTEOSA-N -1 0 348.362 2.617 20 30 EFEDRM C#C[C@H]1CCCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001602677372 1096346408 /nfs/dbraw/zinc/34/64/08/1096346408.db2.gz VROKZCAVCJSOKN-NSHDSACASA-N -1 0 349.433 2.776 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602675047 1096346611 /nfs/dbraw/zinc/34/66/11/1096346611.db2.gz YLQIJNOAOXHUAI-RISCZKNCSA-N -1 0 338.766 2.802 20 30 EFEDRM C#C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001602677015 1096347144 /nfs/dbraw/zinc/34/71/44/1096347144.db2.gz OKXRFIQUFBLVOD-LBPRGKRZSA-N -1 0 346.452 2.751 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC001602678072 1096347383 /nfs/dbraw/zinc/34/73/83/1096347383.db2.gz HSRPJRPXLLSNMP-MELADBBJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#CC1(NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CCCC1 ZINC001602678006 1096347929 /nfs/dbraw/zinc/34/79/29/1096347929.db2.gz HLMBNIPPYIAFKM-UHFFFAOYSA-N -1 0 342.395 2.509 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602685302 1096349580 /nfs/dbraw/zinc/34/95/80/1096349580.db2.gz QVZACAYLGABKBB-SFHVURJKSA-N -1 0 338.359 2.941 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC=C ZINC001602683199 1096349610 /nfs/dbraw/zinc/34/96/10/1096349610.db2.gz KTTNXAWIPJYHQJ-KDOFPFPSSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@H](NC(=O)/C(=C/c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001602684810 1096349623 /nfs/dbraw/zinc/34/96/23/1096349623.db2.gz GOFUKWRUAQNBRD-UMADGWCESA-N -1 0 349.386 2.829 20 30 EFEDRM C#CC[C@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001602685295 1096349664 /nfs/dbraw/zinc/34/96/64/1096349664.db2.gz QSKRAXARWYCTCC-DGWNHINDSA-N -1 0 343.345 2.728 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC1CC1 ZINC001602683187 1096349866 /nfs/dbraw/zinc/34/98/66/1096349866.db2.gz KJJYNWPOMZBBOT-UKRRQHHQSA-N -1 0 344.459 2.536 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC=C ZINC001602683201 1096350062 /nfs/dbraw/zinc/35/00/62/1096350062.db2.gz KTTNXAWIPJYHQJ-RDTXWAMCSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001602685795 1096350354 /nfs/dbraw/zinc/35/03/54/1096350354.db2.gz ZNFJFQDUEHCSKL-SEVUFMINSA-N -1 0 347.239 2.748 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[nH]n1 ZINC001602690284 1096350974 /nfs/dbraw/zinc/35/09/74/1096350974.db2.gz SZTAVEBOBDKAKW-SECBINFHSA-N -1 0 332.433 2.711 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[nH]n2)c1 ZINC001602689538 1096351095 /nfs/dbraw/zinc/35/10/95/1096351095.db2.gz HYTURAHDDQSESE-LLVKDONJSA-N -1 0 342.403 2.529 20 30 EFEDRM C#C[C@@H](NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(F)cc1 ZINC001602691292 1096351120 /nfs/dbraw/zinc/35/11/20/1096351120.db2.gz VJKFYLSVHHKSAH-MRXNPFEDSA-N -1 0 325.322 2.609 20 30 EFEDRM C#CC[C@@H](NCc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC001602695170 1096351260 /nfs/dbraw/zinc/35/12/60/1096351260.db2.gz YITFVDJQPNVEEY-SNVBAGLBSA-N -1 0 339.214 2.625 20 30 EFEDRM C#CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001602701792 1096352554 /nfs/dbraw/zinc/35/25/54/1096352554.db2.gz XKDRLSDOTRIPAW-ZDUSSCGKSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCCCCCC(=O)NCc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001602709360 1096354972 /nfs/dbraw/zinc/35/49/72/1096354972.db2.gz BWFBSGIJAHBHDQ-UHFFFAOYSA-N -1 0 331.807 2.720 20 30 EFEDRM C#CCCOC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001602708594 1096355275 /nfs/dbraw/zinc/35/52/75/1096355275.db2.gz XGYWHTJYOGBTTI-GFCCVEGCSA-N -1 0 340.173 2.714 20 30 EFEDRM C#CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCCc2ccccc21 ZINC001602713638 1096355401 /nfs/dbraw/zinc/35/54/01/1096355401.db2.gz NLIYGNUGYSWBAQ-SFHVURJKSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCCCNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001602705209 1096355418 /nfs/dbraw/zinc/35/54/18/1096355418.db2.gz JDCFGJOCYCHJQV-UHFFFAOYSA-N -1 0 339.189 2.991 20 30 EFEDRM C#CCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])C1CCCCC1 ZINC001602711222 1096355482 /nfs/dbraw/zinc/35/54/82/1096355482.db2.gz AJJWYGJECVEPDW-UHFFFAOYSA-N -1 0 344.411 2.561 20 30 EFEDRM C#CCCCn1cc(-c2nnn[n-]2)c(=O)c2cc(C)cc(Cl)c21 ZINC001602712231 1096355571 /nfs/dbraw/zinc/35/55/71/1096355571.db2.gz GRCIWJWSCHMPBL-UHFFFAOYSA-N -1 0 327.775 2.557 20 30 EFEDRM C#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001602730520 1096357122 /nfs/dbraw/zinc/35/71/22/1096357122.db2.gz OFKVVYGBFOKQLS-UHFFFAOYSA-N -1 0 330.365 2.780 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001602733913 1096357969 /nfs/dbraw/zinc/35/79/69/1096357969.db2.gz BLUGIFNRWXNIMU-UHFFFAOYSA-N -1 0 336.347 2.945 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001602734700 1096358024 /nfs/dbraw/zinc/35/80/24/1096358024.db2.gz XFSLPYLNBHEIRS-OAHLLOKOSA-N -1 0 338.363 2.689 20 30 EFEDRM C#CCn1ccc(CN(CC)[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC001602737952 1096358282 /nfs/dbraw/zinc/35/82/82/1096358282.db2.gz BIQRLVYXNBEBKS-MRXNPFEDSA-N -1 0 331.803 2.818 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2c3ccccc3[nH]c2C(=O)[O-])n1 ZINC001602737946 1096358291 /nfs/dbraw/zinc/35/82/91/1096358291.db2.gz ATTMLNXGJWUCFF-UHFFFAOYSA-N -1 0 336.395 2.718 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001602734096 1096358670 /nfs/dbraw/zinc/35/86/70/1096358670.db2.gz JWEOPDGWXXHOJY-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C#CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001602734091 1096358706 /nfs/dbraw/zinc/35/87/06/1096358706.db2.gz JUOCZLXWMRTCSF-YLJYHZDGSA-N -1 0 335.359 2.896 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001602734569 1096358795 /nfs/dbraw/zinc/35/87/95/1096358795.db2.gz ZYGAFFBIZCTARH-UHFFFAOYSA-N -1 0 334.347 2.747 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001602734366 1096358826 /nfs/dbraw/zinc/35/88/26/1096358826.db2.gz QGEVNNVISXYLAL-CSKARUKUSA-N -1 0 326.304 2.746 20 30 EFEDRM C#CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001602734087 1096358892 /nfs/dbraw/zinc/35/88/92/1096358892.db2.gz JUOCZLXWMRTCSF-FXAWDEMLSA-N -1 0 335.359 2.896 20 30 EFEDRM C#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001602738467 1096359406 /nfs/dbraw/zinc/35/94/06/1096359406.db2.gz BNAZUEYCNIAOHM-UHFFFAOYSA-N -1 0 332.359 2.637 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001602738900 1096359651 /nfs/dbraw/zinc/35/96/51/1096359651.db2.gz QZSRSXQGQWITIN-INIZCTEOSA-N -1 0 328.412 2.700 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001602744488 1096359670 /nfs/dbraw/zinc/35/96/70/1096359670.db2.gz AIPJKENACDIMSY-SFHVURJKSA-N -1 0 330.343 2.772 20 30 EFEDRM C#Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1 ZINC001602741310 1096359808 /nfs/dbraw/zinc/35/98/08/1096359808.db2.gz FLBNRQGUSSCQTL-UHFFFAOYSA-N -1 0 335.371 2.580 20 30 EFEDRM C#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c(Cl)c1 ZINC001602738611 1096359833 /nfs/dbraw/zinc/35/98/33/1096359833.db2.gz IKLMKYPBQDSXCO-BLTAXRJOSA-N -1 0 332.787 2.942 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C(C)c2cc(C(=O)[O-])co2)c1 ZINC001602743418 1096360351 /nfs/dbraw/zinc/36/03/51/1096360351.db2.gz OPSZUTQXLOWEFW-UHFFFAOYSA-N -1 0 327.365 2.670 20 30 EFEDRM C=C(Br)COC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001602744770 1096361381 /nfs/dbraw/zinc/36/13/81/1096361381.db2.gz MWCQPKPNOKRKFV-RISCZKNCSA-N -1 0 325.158 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(F)cc(Br)c1)C(=O)[O-] ZINC001602754347 1096362816 /nfs/dbraw/zinc/36/28/16/1096362816.db2.gz GOQKLAXYDARAEU-LLVKDONJSA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(Br)s1)C(=O)[O-] ZINC001602749287 1096363555 /nfs/dbraw/zinc/36/35/55/1096363555.db2.gz SCGFBMDMZINUNX-VIFPVBQESA-N -1 0 332.219 2.589 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602755279 1096364715 /nfs/dbraw/zinc/36/47/15/1096364715.db2.gz NFOPIPUJSKJNQD-PSKZRQQASA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)C(=O)[O-] ZINC001602755239 1096365050 /nfs/dbraw/zinc/36/50/50/1096365050.db2.gz LWOXVKZPEHJJCX-GFCCVEGCSA-N -1 0 331.397 2.663 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001602762124 1096366014 /nfs/dbraw/zinc/36/60/14/1096366014.db2.gz SQPOXRPJSDUYBD-SFHVURJKSA-N -1 0 345.395 2.985 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001602766359 1096366199 /nfs/dbraw/zinc/36/61/99/1096366199.db2.gz ZHBCZMXPLAESGS-RRFJBIMHSA-N -1 0 345.447 2.808 20 30 EFEDRM C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602768644 1096367049 /nfs/dbraw/zinc/36/70/49/1096367049.db2.gz KBGNMRXEAUMDAS-SFHVURJKSA-N -1 0 332.448 2.888 20 30 EFEDRM C=C(C)c1cccc(NC(=O)NCc2ccc(-c3nn[nH]n3)cn2)c1 ZINC001602770010 1096367161 /nfs/dbraw/zinc/36/71/61/1096367161.db2.gz QRRHWMJBIDFSRZ-UHFFFAOYSA-N -1 0 335.371 2.617 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001602774519 1096367340 /nfs/dbraw/zinc/36/73/40/1096367340.db2.gz OQQFKUWUBCOMSJ-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCCO1 ZINC001602771551 1096367947 /nfs/dbraw/zinc/36/79/47/1096367947.db2.gz YRCWVSVRKIDZIE-MSOLQXFVSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC001602777854 1096368812 /nfs/dbraw/zinc/36/88/12/1096368812.db2.gz GRDJJZZAEAIECO-GFCCVEGCSA-N -1 0 343.383 2.897 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](CC(=O)OCC)c2ccccc21 ZINC001602775676 1096369463 /nfs/dbraw/zinc/36/94/63/1096369463.db2.gz HARHQUYNOQRWSW-AWEZNQCLSA-N -1 0 345.395 2.881 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC001602778368 1096369471 /nfs/dbraw/zinc/36/94/71/1096369471.db2.gz OQEWLPIONFPPDP-UHFFFAOYSA-N -1 0 336.819 2.718 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@](C)(CC)COc1ncccc1Cl ZINC001602778625 1096369646 /nfs/dbraw/zinc/36/96/46/1096369646.db2.gz SBHKPCRZMPFNAN-INIZCTEOSA-N -1 0 340.807 2.820 20 30 EFEDRM C=CC(C)(C)CNC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001602786788 1096370159 /nfs/dbraw/zinc/37/01/59/1096370159.db2.gz ITFWFRDPMZVBCH-UHFFFAOYSA-N -1 0 331.395 2.612 20 30 EFEDRM C=CC(C)(C)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001602786873 1096370480 /nfs/dbraw/zinc/37/04/80/1096370480.db2.gz NXGIEYGQTVZAQM-OAHLLOKOSA-N -1 0 340.431 2.756 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC001602785831 1096370543 /nfs/dbraw/zinc/37/05/43/1096370543.db2.gz LPTWPPNXHZPBQW-UHFFFAOYSA-N -1 0 342.399 2.924 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(-c2ccccc2OC)c1C ZINC001602785891 1096370650 /nfs/dbraw/zinc/37/06/50/1096370650.db2.gz OLPGYYYYNTURGD-UHFFFAOYSA-N -1 0 329.356 2.753 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1csc(-c2ccccc2)n1 ZINC001602784566 1096371196 /nfs/dbraw/zinc/37/11/96/1096371196.db2.gz VRUZNOLSOFXYKO-UHFFFAOYSA-N -1 0 330.409 2.890 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001602791508 1096371531 /nfs/dbraw/zinc/37/15/31/1096371531.db2.gz SMVAWWDCKJWCMA-YESZJQIVSA-N -1 0 328.412 2.823 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001602792488 1096372701 /nfs/dbraw/zinc/37/27/01/1096372701.db2.gz ZWNJMOVTMCZTGS-GASCZTMLSA-N -1 0 340.383 2.836 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c2ccccc2)c(C)o1 ZINC000796814311 1096372910 /nfs/dbraw/zinc/37/29/10/1096372910.db2.gz QFMBQQNSQZTINV-HNNXBMFYSA-N -1 0 346.408 2.789 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001602807147 1096373142 /nfs/dbraw/zinc/37/31/42/1096373142.db2.gz IIVSHYAICGVTAG-MRXNPFEDSA-N -1 0 335.367 2.637 20 30 EFEDRM C=C[C@@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001602804171 1096373666 /nfs/dbraw/zinc/37/36/66/1096373666.db2.gz MPPCKVGONXZNQF-FUHWJXTLSA-N -1 0 339.391 2.722 20 30 EFEDRM C=C[C@](C)(O)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001602809010 1096375074 /nfs/dbraw/zinc/37/50/74/1096375074.db2.gz ANFLCISNRVULSP-UZLBHIALSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@H](COC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001602815609 1096375502 /nfs/dbraw/zinc/37/55/02/1096375502.db2.gz AVIOZQKMWLYKCH-LBPRGKRZSA-N -1 0 344.367 2.626 20 30 EFEDRM C=C[C@@H](N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC)C(=O)[O-] ZINC001602816180 1096376388 /nfs/dbraw/zinc/37/63/88/1096376388.db2.gz KAVDAHQWCPXOHF-CHWSQXEVSA-N -1 0 346.210 2.696 20 30 EFEDRM C=C[C@H](Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC001602820283 1096377613 /nfs/dbraw/zinc/37/76/13/1096377613.db2.gz GHQXBDDQNKFFGA-INIZCTEOSA-N -1 0 347.392 2.934 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602837206 1096380825 /nfs/dbraw/zinc/38/08/25/1096380825.db2.gz IRLRXCHRTLRXHD-LLVKDONJSA-N -1 0 334.397 2.566 20 30 EFEDRM C=CCC(CC=C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001602837506 1096381436 /nfs/dbraw/zinc/38/14/36/1096381436.db2.gz YRWWIMWNICMPMD-NSHDSACASA-N -1 0 328.368 2.827 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602842007 1096382391 /nfs/dbraw/zinc/38/23/91/1096382391.db2.gz CLQJHHFDAKMODN-SECBINFHSA-N -1 0 330.356 2.759 20 30 EFEDRM C=CC[C@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)C(=O)[O-] ZINC001602845208 1096382559 /nfs/dbraw/zinc/38/25/59/1096382559.db2.gz LNEFATPUFIIKOT-WFASDCNBSA-N -1 0 328.372 2.524 20 30 EFEDRM C=CC[C@H](N[C@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602841798 1096382661 /nfs/dbraw/zinc/38/26/61/1096382661.db2.gz GRZGWFQYTSEMAD-ZWKOTPCHSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CCCn1c(=O)c(-c2nnn[n-]2)ccc1-c1ccc(Cl)s1 ZINC001602846707 1096382891 /nfs/dbraw/zinc/38/28/91/1096382891.db2.gz XJNZAMQLCHHUPQ-UHFFFAOYSA-N -1 0 333.804 2.986 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001602845571 1096383043 /nfs/dbraw/zinc/38/30/43/1096383043.db2.gz RAXOIKOFNUTIBM-QMTHXVAHSA-N -1 0 337.397 2.698 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001602845569 1096383253 /nfs/dbraw/zinc/38/32/53/1096383253.db2.gz RAXOIKOFNUTIBM-HZMBPMFUSA-N -1 0 337.397 2.698 20 30 EFEDRM C=CC[C@H](Cn1c(C)nnc1N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602842669 1096383381 /nfs/dbraw/zinc/38/33/81/1096383381.db2.gz MLFLSOHYFGJPAI-SJORKVTESA-N -1 0 340.427 2.857 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1 ZINC001602851208 1096383857 /nfs/dbraw/zinc/38/38/57/1096383857.db2.gz DPRGMHMJZQCGDS-CYBMUJFWSA-N -1 0 332.400 2.810 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001602851293 1096383868 /nfs/dbraw/zinc/38/38/68/1096383868.db2.gz GUOPFBUPRLEBSC-UHFFFAOYSA-N -1 0 346.427 2.984 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC001602851446 1096384083 /nfs/dbraw/zinc/38/40/83/1096384083.db2.gz LSFZHRKVVSIQQY-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)CCCC1 ZINC001602851719 1096384109 /nfs/dbraw/zinc/38/41/09/1096384109.db2.gz WVRFTDDGGNYTIP-UHFFFAOYSA-N -1 0 339.413 2.561 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCC1 ZINC001602849400 1096384142 /nfs/dbraw/zinc/38/41/42/1096384142.db2.gz KXCYUDOSYPDAAS-UHFFFAOYSA-N -1 0 348.374 2.715 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(Br)cnc1Cl)C(=O)[O-] ZINC001602848796 1096384225 /nfs/dbraw/zinc/38/42/25/1096384225.db2.gz FREPLDUTKLEODY-MRVPVSSYSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC001602848476 1096384346 /nfs/dbraw/zinc/38/43/46/1096384346.db2.gz CDGOVQBLKYMIIN-LLVKDONJSA-N -1 0 329.146 2.644 20 30 EFEDRM C=CCC1(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)CCCCC1 ZINC001602849628 1096384813 /nfs/dbraw/zinc/38/48/13/1096384813.db2.gz LKYMDDFZLMRHSP-UHFFFAOYSA-N -1 0 334.416 2.735 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)C(=O)[O-] ZINC001602849564 1096385008 /nfs/dbraw/zinc/38/50/08/1096385008.db2.gz PGVGXXRWAOPQBM-GFCCVEGCSA-N -1 0 349.774 2.724 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602855686 1096386542 /nfs/dbraw/zinc/38/65/42/1096386542.db2.gz XIPHEYWSFVJNBD-NWDGAFQWSA-N -1 0 332.404 2.784 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001602855424 1096386551 /nfs/dbraw/zinc/38/65/51/1096386551.db2.gz QHZKBLFUNFMVDE-CQSZACIVSA-N -1 0 329.462 2.639 20 30 EFEDRM C=CCC[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001602857517 1096388124 /nfs/dbraw/zinc/38/81/24/1096388124.db2.gz SQJUTNBVSGEWQM-MRXNPFEDSA-N -1 0 342.395 2.921 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1ccccc1 ZINC001602857276 1096388455 /nfs/dbraw/zinc/38/84/55/1096388455.db2.gz PBVDSSYWHYUDOI-OAHLLOKOSA-N -1 0 348.424 2.709 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001602861025 1096388686 /nfs/dbraw/zinc/38/86/86/1096388686.db2.gz WVKDWDYIKWQSTH-LBPRGKRZSA-N -1 0 330.388 2.987 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001602869444 1096389297 /nfs/dbraw/zinc/38/92/97/1096389297.db2.gz BJMPURDWZPBWBI-HNNXBMFYSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCCC(=O)N(c1nc(CC(=O)[O-])cs1)N1CCCCC1 ZINC001602861013 1096389735 /nfs/dbraw/zinc/38/97/35/1096389735.db2.gz WIZCZJPYLFILCL-UHFFFAOYSA-N -1 0 337.445 2.860 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc21)C(=O)[O-] ZINC001602870862 1096390194 /nfs/dbraw/zinc/39/01/94/1096390194.db2.gz IGANDSGMMFHUHB-CQSZACIVSA-N -1 0 332.331 2.619 20 30 EFEDRM C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602875009 1096390257 /nfs/dbraw/zinc/39/02/57/1096390257.db2.gz PWUBJPPOFYKBAV-HUUCEWRRSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnnc(-c2ccccc2)c1)C(=O)[O-] ZINC001602873056 1096390486 /nfs/dbraw/zinc/39/04/86/1096390486.db2.gz PLRNMYZPVGTBLR-OAHLLOKOSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001602874893 1096390854 /nfs/dbraw/zinc/39/08/54/1096390854.db2.gz IMQSUCMYGILKRK-AWEZNQCLSA-N -1 0 331.416 2.571 20 30 EFEDRM C=CCCOCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001602881145 1096391540 /nfs/dbraw/zinc/39/15/40/1096391540.db2.gz UHOKJQNJVDAOSF-HNNXBMFYSA-N -1 0 334.416 2.730 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001602875140 1096391747 /nfs/dbraw/zinc/39/17/47/1096391747.db2.gz YVISSFAJFUNTCV-JKSUJKDBSA-N -1 0 344.411 2.628 20 30 EFEDRM C=CCCSCCNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001602881041 1096392267 /nfs/dbraw/zinc/39/22/67/1096392267.db2.gz OFWRTCDSXOOZID-SFHVURJKSA-N -1 0 348.468 2.734 20 30 EFEDRM C=CCCn1cc(CSCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)nn1 ZINC001602884621 1096392423 /nfs/dbraw/zinc/39/24/23/1096392423.db2.gz LRZODMCNQUZJHN-UHFFFAOYSA-N -1 0 348.428 2.613 20 30 EFEDRM C=CCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1F ZINC001602887744 1096393437 /nfs/dbraw/zinc/39/34/37/1096393437.db2.gz MIRZIJMVFDONAD-UHFFFAOYSA-N -1 0 348.418 2.717 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001602894623 1096393665 /nfs/dbraw/zinc/39/36/65/1096393665.db2.gz OOBFDHJPNUASHZ-UHFFFAOYSA-N -1 0 335.381 2.663 20 30 EFEDRM C=CCNc1nc(-c2cn([C@@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001602904878 1096395044 /nfs/dbraw/zinc/39/50/44/1096395044.db2.gz MATFTTOTEWQREY-GHMZBOCLSA-N -1 0 333.417 2.815 20 30 EFEDRM C=CCNC(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001602901779 1096395576 /nfs/dbraw/zinc/39/55/76/1096395576.db2.gz VNRNDGZLLWSPMN-UHFFFAOYSA-N -1 0 344.392 2.662 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001602908460 1096398309 /nfs/dbraw/zinc/39/83/09/1096398309.db2.gz XRHXYZDSHVNFPB-OCCSQVGLSA-N -1 0 342.403 2.792 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001602912689 1096399220 /nfs/dbraw/zinc/39/92/20/1096399220.db2.gz BAXQCRBNOGOUMR-NSHDSACASA-N -1 0 339.800 2.940 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001602924837 1096400833 /nfs/dbraw/zinc/40/08/33/1096400833.db2.gz HOJISLPSBMJCNH-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001602922216 1096401047 /nfs/dbraw/zinc/40/10/47/1096401047.db2.gz UTENKYCUWMJMFR-NSHDSACASA-N -1 0 349.280 2.813 20 30 EFEDRM C=CCOc1cccc(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001602921569 1096401092 /nfs/dbraw/zinc/40/10/92/1096401092.db2.gz BHNUWOWSSCSOTQ-UHFFFAOYSA-N -1 0 345.355 2.994 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cscn1 ZINC001602925989 1096401339 /nfs/dbraw/zinc/40/13/39/1096401339.db2.gz JWFVCNOWLTVVBO-UHFFFAOYSA-N -1 0 333.365 2.727 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001602922144 1096401368 /nfs/dbraw/zinc/40/13/68/1096401368.db2.gz PXVYEUDOGWLVIO-IBGZPJMESA-N -1 0 340.379 2.766 20 30 EFEDRM C=CC[S@@](=O)(=NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001602924905 1096401448 /nfs/dbraw/zinc/40/14/48/1096401448.db2.gz KNPXJSFZMSEUMJ-DEOSSOPVSA-N -1 0 344.392 2.562 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1nc(COC)c(C(=O)[O-])s1 ZINC001602921612 1096401544 /nfs/dbraw/zinc/40/15/44/1096401544.db2.gz FJUMTIYSOXMKOB-UHFFFAOYSA-N -1 0 348.380 2.805 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CCC)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001602927060 1096402079 /nfs/dbraw/zinc/40/20/79/1096402079.db2.gz YMDVWHWVYXOUDR-ZDUSSCGKSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602931579 1096402224 /nfs/dbraw/zinc/40/22/24/1096402224.db2.gz ZANYYORCRDLRTE-JKSUJKDBSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602935192 1096402306 /nfs/dbraw/zinc/40/23/06/1096402306.db2.gz ASCCSVBCBUANBZ-QGZVFWFLSA-N -1 0 346.456 2.808 20 30 EFEDRM C=CCn1c(-c2cc3ccccc3[nH]2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602930190 1096402325 /nfs/dbraw/zinc/40/23/25/1096402325.db2.gz OUIVXERDLLXKNE-CYBMUJFWSA-N -1 0 337.383 2.523 20 30 EFEDRM C=CCn1c(-c2cc(C)ccc2F)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602930535 1096402432 /nfs/dbraw/zinc/40/24/32/1096402432.db2.gz XLPDCATVQUJINB-UHFFFAOYSA-N -1 0 344.390 2.880 20 30 EFEDRM C=CCn1c([C@H]2CCCS2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602932550 1096402440 /nfs/dbraw/zinc/40/24/40/1096402440.db2.gz PJRJLUONQKTBCV-BFHYXJOUSA-N -1 0 348.472 2.579 20 30 EFEDRM C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001602930141 1096402512 /nfs/dbraw/zinc/40/25/12/1096402512.db2.gz NFFWFVYRJSPSJW-UHFFFAOYSA-N -1 0 342.355 2.960 20 30 EFEDRM C=CCn1c(C2CC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602932141 1096402523 /nfs/dbraw/zinc/40/25/23/1096402523.db2.gz KPSFZOWFWJPKJS-JKSUJKDBSA-N -1 0 338.411 2.646 20 30 EFEDRM C=CCn1c(-c2cc(C)cc(F)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602929884 1096402539 /nfs/dbraw/zinc/40/25/39/1096402539.db2.gz HXHUUGZVOKAUMV-UHFFFAOYSA-N -1 0 344.390 2.880 20 30 EFEDRM C=CCn1c(-c2cc3ccccc3[nH]2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602930191 1096402578 /nfs/dbraw/zinc/40/25/78/1096402578.db2.gz OUIVXERDLLXKNE-ZDUSSCGKSA-N -1 0 337.383 2.523 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602932206 1096402667 /nfs/dbraw/zinc/40/26/67/1096402667.db2.gz MCWHAFHOQSSOQO-LRDDRELGSA-N -1 0 336.461 2.723 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001602926768 1096402793 /nfs/dbraw/zinc/40/27/93/1096402793.db2.gz MNMYEBBXUHWPRM-OCCSQVGLSA-N -1 0 342.388 2.906 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C3CC3)cc2n1 ZINC001602939836 1096403385 /nfs/dbraw/zinc/40/33/85/1096403385.db2.gz DROBIDOUMBBHLK-SFHVURJKSA-N -1 0 342.399 2.987 20 30 EFEDRM C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C12CCC(CC1)CC2 ZINC001602936837 1096403894 /nfs/dbraw/zinc/40/38/94/1096403894.db2.gz GHTKEDSBMWYICV-FVRSWCFKSA-N -1 0 330.432 2.597 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001602940519 1096403990 /nfs/dbraw/zinc/40/39/90/1096403990.db2.gz ZKFRWLSYCYFSJC-CJNGLKHVSA-N -1 0 330.384 2.515 20 30 EFEDRM CC(=NOCc1ccc(CO)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001602992116 1096417889 /nfs/dbraw/zinc/41/78/89/1096417889.db2.gz IHRMKWCOFRXTSM-UHFFFAOYSA-N -1 0 329.352 2.583 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc(C2CCCC2)cc1 ZINC001602995854 1096417932 /nfs/dbraw/zinc/41/79/32/1096417932.db2.gz VZEAYTMBYFECGB-OAHLLOKOSA-N -1 0 344.436 2.791 20 30 EFEDRM CC(=NOCc1nnc(C(C)C)o1)c1ccc(OCC(=O)[O-])cc1 ZINC001602993089 1096418124 /nfs/dbraw/zinc/41/81/24/1096418124.db2.gz CFDHZXIJJYICSM-UHFFFAOYSA-N -1 0 333.344 2.597 20 30 EFEDRM CC(C)(C)[C@@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)c2ccccc21 ZINC001603067980 1096431231 /nfs/dbraw/zinc/43/12/31/1096431231.db2.gz VZPOEFUEOQOREU-GFCCVEGCSA-N -1 0 346.398 2.810 20 30 EFEDRM CC(=O)c1c(C)cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1C ZINC001603098875 1096439565 /nfs/dbraw/zinc/43/95/65/1096439565.db2.gz ZBLBDDBQQYRNGP-UHFFFAOYSA-N -1 0 343.383 2.728 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001603099166 1096439634 /nfs/dbraw/zinc/43/96/34/1096439634.db2.gz AIIYVOIHLDKHHV-OXJNMPFZSA-N -1 0 348.358 2.958 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)OCC#CC2CCCCC2)c(C(=O)[O-])c1C ZINC001603093995 1096439804 /nfs/dbraw/zinc/43/98/04/1096439804.db2.gz UEVAMRPYIRICCX-UHFFFAOYSA-N -1 0 345.395 2.893 20 30 EFEDRM CC(=O)c1cccc(C#N)c1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001603118397 1096450113 /nfs/dbraw/zinc/45/01/13/1096450113.db2.gz LVWBAJUGNDMONB-UHFFFAOYSA-N -1 0 344.348 2.538 20 30 EFEDRM CC(=O)c1cccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001603118962 1096451673 /nfs/dbraw/zinc/45/16/73/1096451673.db2.gz YUOAGLDYBSXJGU-UHFFFAOYSA-N -1 0 340.335 2.577 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001603132346 1096454434 /nfs/dbraw/zinc/45/44/34/1096454434.db2.gz XOGCHOAPHZMMNJ-BGPZULBFSA-N -1 0 343.383 2.598 20 30 EFEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1 ZINC001603209615 1096473829 /nfs/dbraw/zinc/47/38/29/1096473829.db2.gz TWWSIPDBEJUKPO-CJNGLKHVSA-N -1 0 330.384 2.569 20 30 EFEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC001603209617 1096474347 /nfs/dbraw/zinc/47/43/47/1096474347.db2.gz TWWSIPDBEJUKPO-XJKSGUPXSA-N -1 0 330.384 2.569 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001603229559 1096479535 /nfs/dbraw/zinc/47/95/35/1096479535.db2.gz AQCWPOAKXNXJRV-LBPRGKRZSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])n1)c1cc(F)cc(C#N)c1 ZINC001603239924 1096481986 /nfs/dbraw/zinc/48/19/86/1096481986.db2.gz PEUOIRRHGUIGQR-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM CC(C)C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001603264310 1096488817 /nfs/dbraw/zinc/48/88/17/1096488817.db2.gz BUTCSZMPRKCTKO-CYBMUJFWSA-N -1 0 334.387 2.728 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)Cc2ccccc2CC#N)n1 ZINC001603277645 1096492749 /nfs/dbraw/zinc/49/27/49/1096492749.db2.gz SVNHETVSJABWMS-UHFFFAOYSA-N -1 0 343.408 2.753 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2sccc2CC#N)n1 ZINC001603280598 1096494264 /nfs/dbraw/zinc/49/42/64/1096494264.db2.gz AWEQEJYNEPMMFO-UHFFFAOYSA-N -1 0 335.410 2.885 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCc2ccc(C#N)cc2)n1 ZINC001603280787 1096494997 /nfs/dbraw/zinc/49/49/97/1096494997.db2.gz FVHFFQDQZSGXBF-UHFFFAOYSA-N -1 0 344.396 2.699 20 30 EFEDRM CC(C)(C(=O)OCc1cncc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001603293529 1096497763 /nfs/dbraw/zinc/49/77/63/1096497763.db2.gz KMAWBNLAVGBBPA-UHFFFAOYSA-N -1 0 342.326 2.812 20 30 EFEDRM CC(C)(C)C#CC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001603295579 1096498025 /nfs/dbraw/zinc/49/80/25/1096498025.db2.gz DGAVQGIRXHFRGU-UHFFFAOYSA-N -1 0 334.441 2.672 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc(C#N)cc2Cl)n1 ZINC001603290362 1096498090 /nfs/dbraw/zinc/49/80/90/1096498090.db2.gz YGLCZLNVXZTBEJ-UHFFFAOYSA-N -1 0 347.762 2.872 20 30 EFEDRM CC(C)(C)OC(=O)N1CC=CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001603393750 1096519012 /nfs/dbraw/zinc/51/90/12/1096519012.db2.gz TZCPJDNHFOFDPX-UHFFFAOYSA-N -1 0 343.383 2.780 20 30 EFEDRM CC(C)(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n[nH]1 ZINC001603532906 1096545410 /nfs/dbraw/zinc/54/54/10/1096545410.db2.gz ASZCTRYWJQVFPJ-AWEZNQCLSA-N -1 0 327.340 2.562 20 30 EFEDRM CC(C)(O)COc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001603692836 1096590798 /nfs/dbraw/zinc/59/07/98/1096590798.db2.gz VASSDOTUQQNCST-UHFFFAOYSA-N -1 0 327.340 2.545 20 30 EFEDRM CC(C)[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001603750157 1096612796 /nfs/dbraw/zinc/61/27/96/1096612796.db2.gz FEZVBDHZYKQQIC-JYJNAYRXSA-N -1 0 331.368 2.678 20 30 EFEDRM CC(C)C[C@@H](C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001603763944 1096617689 /nfs/dbraw/zinc/61/76/89/1096617689.db2.gz LAPRMIZYSAAHQW-LBPRGKRZSA-N -1 0 339.189 2.815 20 30 EFEDRM CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603770007 1096620917 /nfs/dbraw/zinc/62/09/17/1096620917.db2.gz SXOPXXORADNIIZ-ZDUSSCGKSA-N -1 0 347.419 2.712 20 30 EFEDRM CC(C)COc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001603823175 1096637329 /nfs/dbraw/zinc/63/73/29/1096637329.db2.gz LBAFQSCVYIRBFZ-UHFFFAOYSA-N -1 0 330.384 2.552 20 30 EFEDRM CC1CC(C#N)(C(=O)OCc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC001603842833 1096641693 /nfs/dbraw/zinc/64/16/93/1096641693.db2.gz SPEUSRQCODAVRN-UHFFFAOYSA-N -1 0 331.763 2.503 20 30 EFEDRM CC(C)Cn1c(CCCCC#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001603859311 1096646629 /nfs/dbraw/zinc/64/66/29/1096646629.db2.gz WZDRQRXFYCKREB-GOSISDBHSA-N -1 0 347.463 2.862 20 30 EFEDRM CC(C)Cn1c(CCCCC#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001603859312 1096646906 /nfs/dbraw/zinc/64/69/06/1096646906.db2.gz WZDRQRXFYCKREB-SFHVURJKSA-N -1 0 347.463 2.862 20 30 EFEDRM CC(C)OCCON=Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001603925436 1096671040 /nfs/dbraw/zinc/67/10/40/1096671040.db2.gz GIAOFFIJVBNZJE-UHFFFAOYSA-N -1 0 330.178 2.923 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001603935690 1096673524 /nfs/dbraw/zinc/67/35/24/1096673524.db2.gz UYGMNCGYSVFHPD-YPMHNXCESA-N -1 0 331.372 2.672 20 30 EFEDRM CC(C)Oc1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1Cl ZINC001603943092 1096676884 /nfs/dbraw/zinc/67/68/84/1096676884.db2.gz JVLAIMUUSKMBAS-UHFFFAOYSA-N -1 0 346.770 2.907 20 30 EFEDRM CC(C)Oc1cccc([C@H](O)CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001603950959 1096679552 /nfs/dbraw/zinc/67/95/52/1096679552.db2.gz IVZUFGUGDFUCLS-QGZVFWFLSA-N -1 0 341.367 2.584 20 30 EFEDRM CC(C)[C@H](NCc1cccc(C(=O)[O-])c1C#N)C(=O)OC(C)(C)C ZINC001603980742 1096686771 /nfs/dbraw/zinc/68/67/71/1096686771.db2.gz RPVUDQBUNGJYGA-HNNXBMFYSA-N -1 0 332.400 2.712 20 30 EFEDRM CC[C@@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001604014601 1096697669 /nfs/dbraw/zinc/69/76/69/1096697669.db2.gz WXUXYIXOXQIOQT-ZDUSSCGKSA-N -1 0 331.351 2.519 20 30 EFEDRM CC(C)c1csc(C(C#N)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001604012667 1096698121 /nfs/dbraw/zinc/69/81/21/1096698121.db2.gz PNFIOEULKYTATL-QJPTWQEYSA-N -1 0 336.413 2.713 20 30 EFEDRM CC[C@H](CC#N)OC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001604013285 1096698743 /nfs/dbraw/zinc/69/87/43/1096698743.db2.gz GWTQOFFFSKBMPB-OAHLLOKOSA-N -1 0 339.399 2.914 20 30 EFEDRM C[C@@H](CC#N)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604061514 1096715048 /nfs/dbraw/zinc/71/50/48/1096715048.db2.gz UDUBHICVYFNNOO-KWQFWETISA-N -1 0 329.278 2.590 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccccn1 ZINC001604076446 1096722138 /nfs/dbraw/zinc/72/21/38/1096722138.db2.gz BYAFWIBKXLXKGX-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM CCCCCCCCCN(C)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001604175600 1096761708 /nfs/dbraw/zinc/76/17/08/1096761708.db2.gz JNNOJVHVUCICEG-UHFFFAOYSA-N -1 0 332.452 2.668 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001604217928 1096776204 /nfs/dbraw/zinc/77/62/04/1096776204.db2.gz SNMRSBOBHLSLHM-XKQJLSEDSA-N -1 0 328.412 2.887 20 30 EFEDRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001604234824 1096781447 /nfs/dbraw/zinc/78/14/47/1096781447.db2.gz FVCKTOXPWVICJY-LBPRGKRZSA-N -1 0 334.803 2.736 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001604265419 1096790214 /nfs/dbraw/zinc/79/02/14/1096790214.db2.gz PLKMFTQDSBFOGE-ZLXGRDSLSA-N -1 0 334.375 2.994 20 30 EFEDRM C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001604283890 1096794904 /nfs/dbraw/zinc/79/49/04/1096794904.db2.gz VDCFXTIHAYNLNC-MRAWALMUSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC#N)CCC(=O)[O-] ZINC001604439565 1096854636 /nfs/dbraw/zinc/85/46/36/1096854636.db2.gz OSGPROHRDUOUDZ-VIFPVBQESA-N -1 0 345.182 2.588 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001604461030 1096867018 /nfs/dbraw/zinc/86/70/18/1096867018.db2.gz FWGUKGSUEQJDHO-CYBMUJFWSA-N -1 0 325.368 2.733 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001604480652 1096875651 /nfs/dbraw/zinc/87/56/51/1096875651.db2.gz LIAKEKURNSQGGL-FZMZJTMJSA-N -1 0 343.408 2.847 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001604482072 1096876246 /nfs/dbraw/zinc/87/62/46/1096876246.db2.gz FOSRGXSTHFBKBB-CQSZACIVSA-N -1 0 325.727 2.945 20 30 EFEDRM CCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC001604524215 1096892720 /nfs/dbraw/zinc/89/27/20/1096892720.db2.gz YGUOFSKZAIOHTD-UHFFFAOYSA-N -1 0 325.376 2.987 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(C#N)ccc2Br)O1 ZINC001604613238 1096914768 /nfs/dbraw/zinc/91/47/68/1096914768.db2.gz GWSUIBREHQISBW-JTQLQIEISA-N -1 0 338.157 2.847 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)c2ccc(C#N)n2C)(C(=O)[O-])c2ccccc21 ZINC001604702361 1096935479 /nfs/dbraw/zinc/93/54/79/1096935479.db2.gz BAWVBWZHDNYSSL-BUXKBTBVSA-N -1 0 337.379 2.504 20 30 EFEDRM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604717227 1096939618 /nfs/dbraw/zinc/93/96/18/1096939618.db2.gz RBNVCBDTQGKFNC-WCQYABFASA-N -1 0 336.413 2.504 20 30 EFEDRM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604717226 1096939869 /nfs/dbraw/zinc/93/98/69/1096939869.db2.gz RBNVCBDTQGKFNC-DGCLKSJQSA-N -1 0 336.413 2.504 20 30 EFEDRM CC[C@@H](C#N)N(CC)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001604865472 1096972071 /nfs/dbraw/zinc/97/20/71/1096972071.db2.gz ZOINRZMOIKOKQB-LBPRGKRZSA-N -1 0 339.189 2.912 20 30 EFEDRM C[C@H]1Cc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2O1 ZINC001604825630 1096966547 /nfs/dbraw/zinc/96/65/47/1096966547.db2.gz KYQYITNZNPXQFZ-APPDUMDISA-N -1 0 337.331 2.864 20 30 EFEDRM CC[C@@H](C#N)[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccs1 ZINC001604865238 1096972129 /nfs/dbraw/zinc/97/21/29/1096972129.db2.gz WMWFWROYQBZECV-TVQRCGJNSA-N -1 0 333.369 2.628 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604865327 1096972176 /nfs/dbraw/zinc/97/21/76/1096972176.db2.gz WTPRIVLHJMAESU-RTHLEPHNSA-N -1 0 329.183 2.959 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)CSc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001604937298 1096983754 /nfs/dbraw/zinc/98/37/54/1096983754.db2.gz XTMLCGRBGOBABP-YMTOWFKASA-N -1 0 340.832 2.919 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001604939844 1096984332 /nfs/dbraw/zinc/98/43/32/1096984332.db2.gz FPAOHXPTKNALDE-PELKAZGASA-N -1 0 339.189 2.550 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1C#N ZINC001604991893 1096996223 /nfs/dbraw/zinc/99/62/23/1096996223.db2.gz OOERTJQPYGHTAE-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM CC[C@](CNC(=O)c1cc(C#N)cs1)(C(=O)[O-])c1ccccc1 ZINC001605035839 1097007756 /nfs/dbraw/zinc/00/77/56/1097007756.db2.gz UEJXXPXLMQMKMI-QGZVFWFLSA-N -1 0 328.393 2.782 20 30 EFEDRM COCCCC1(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCC1 ZINC001605088128 1097019660 /nfs/dbraw/zinc/01/96/60/1097019660.db2.gz VHHUZJJTAFEZIJ-UHFFFAOYSA-N -1 0 347.423 2.973 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2ccc(F)c(C#N)c2Cl)NC(=S)N1 ZINC001605152116 1097035767 /nfs/dbraw/zinc/03/57/67/1097035767.db2.gz YPEWALMWFSIQIS-LBPRGKRZSA-N -1 0 339.779 2.618 20 30 EFEDRM CCC[C@@H](C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001605192856 1097047322 /nfs/dbraw/zinc/04/73/22/1097047322.db2.gz PDQXHUBFUHFETP-NSHDSACASA-N -1 0 332.381 2.509 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001605191856 1097047953 /nfs/dbraw/zinc/04/79/53/1097047953.db2.gz GQPNDZJYCMEICB-UHFFFAOYSA-N -1 0 342.392 2.665 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc([O-])c(F)c2)ccc1-c1nn[nH]n1 ZINC001605205807 1097051842 /nfs/dbraw/zinc/05/18/42/1097051842.db2.gz NXPZVMVBQALKPC-ZZXKWVIFSA-N -1 0 340.314 2.616 20 30 EFEDRM CCCC[C@@H](CCC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605237381 1097063867 /nfs/dbraw/zinc/06/38/67/1097063867.db2.gz BZKSPPUBYGZMQU-CYBMUJFWSA-N -1 0 338.429 2.894 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001605252624 1097069001 /nfs/dbraw/zinc/06/90/01/1097069001.db2.gz YAYVRLPMIVCPCK-HOTGVXAUSA-N -1 0 348.399 2.836 20 30 EFEDRM CCCCC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001605259738 1097071072 /nfs/dbraw/zinc/07/10/72/1097071072.db2.gz CTBHESRXPBSKNJ-LLVKDONJSA-N -1 0 343.305 2.735 20 30 EFEDRM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1F ZINC001605269387 1097075455 /nfs/dbraw/zinc/07/54/55/1097075455.db2.gz CNNYXRMZKVIYLM-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1C ZINC001605270187 1097076666 /nfs/dbraw/zinc/07/66/66/1097076666.db2.gz SDVMPQPGELQIDZ-UHFFFAOYSA-N -1 0 341.375 2.741 20 30 EFEDRM COc1ccccc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001605332290 1097099084 /nfs/dbraw/zinc/09/90/84/1097099084.db2.gz REIAQCGNUSFPRI-UHFFFAOYSA-N -1 0 341.375 2.508 20 30 EFEDRM CCN(C(=O)c1csc(C(=O)[O-])n1)[C@H](C)c1ccc(C#N)cc1 ZINC001605402849 1097118767 /nfs/dbraw/zinc/11/87/67/1097118767.db2.gz FTETZDIOESXDRS-SNVBAGLBSA-N -1 0 329.381 2.936 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1C#N ZINC001605556261 1097158013 /nfs/dbraw/zinc/15/80/13/1097158013.db2.gz MQLVOQXFMLDQMS-UHFFFAOYSA-N -1 0 343.295 2.670 20 30 EFEDRM CCOc1ccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)c(C)c1 ZINC001605685833 1097195355 /nfs/dbraw/zinc/19/53/55/1097195355.db2.gz WGTHRSYWOBWYHI-UKTHLTGXSA-N -1 0 326.352 2.958 20 30 EFEDRM Cc1cc(Nc2cccc(OCCCC#N)c2)ncc1-c1nn[nH]n1 ZINC001605744373 1097213236 /nfs/dbraw/zinc/21/32/36/1097213236.db2.gz KEQOCCBMNSFHFC-UHFFFAOYSA-N -1 0 335.371 2.996 20 30 EFEDRM CCc1nc(NC(=O)C#Cc2ccc(CC)cc2)sc1C(=O)[O-] ZINC001605803836 1097231242 /nfs/dbraw/zinc/23/12/42/1097231242.db2.gz CIYCJVQPYWGERC-UHFFFAOYSA-N -1 0 328.393 2.956 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC001605804093 1097232269 /nfs/dbraw/zinc/23/22/69/1097232269.db2.gz GZTSFJKYVJTRSN-OKZBNKHCSA-N -1 0 325.408 2.702 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC001605804091 1097232288 /nfs/dbraw/zinc/23/22/88/1097232288.db2.gz GZTSFJKYVJTRSN-BZSNNMDCSA-N -1 0 325.408 2.702 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001605807290 1097234103 /nfs/dbraw/zinc/23/41/03/1097234103.db2.gz BZKIPLICKDGMEI-CQSZACIVSA-N -1 0 341.367 2.591 20 30 EFEDRM CCc1nc2ccccc2c(C(=O)N(CC#N)CCC(=O)[O-])c1C ZINC001605859444 1097257109 /nfs/dbraw/zinc/25/71/09/1097257109.db2.gz XNFFWLABEKXGQU-UHFFFAOYSA-N -1 0 325.368 2.546 20 30 EFEDRM CCc1nnc([C@H](C)ON=C(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001605867818 1097259166 /nfs/dbraw/zinc/25/91/66/1097259166.db2.gz GEYQVLKDXIWTJH-NSHDSACASA-N -1 0 333.344 2.597 20 30 EFEDRM CCc1oc(C=NN=C2C(=O)N(CC)c3ccccc32)cc1C(=O)[O-] ZINC001605889313 1097267783 /nfs/dbraw/zinc/26/77/83/1097267783.db2.gz KVOJNTKZDXVNNA-UHFFFAOYSA-N -1 0 339.351 2.730 20 30 EFEDRM CN(C(=O)CC1(C#N)CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001605956944 1097286115 /nfs/dbraw/zinc/28/61/15/1097286115.db2.gz CRBJOTYRZITQTR-UHFFFAOYSA-N -1 0 330.384 2.977 20 30 EFEDRM CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC001605966327 1097288375 /nfs/dbraw/zinc/28/83/75/1097288375.db2.gz GVKPDRIDWPKKMG-UHFFFAOYSA-N -1 0 333.347 2.874 20 30 EFEDRM CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605967503 1097288651 /nfs/dbraw/zinc/28/86/51/1097288651.db2.gz UKXGCVDZIVLGNG-XHSDSOJGSA-N -1 0 329.400 2.926 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc(C#N)c1 ZINC001605976837 1097290352 /nfs/dbraw/zinc/29/03/52/1097290352.db2.gz FPGUBTNFWYVMJV-UHFFFAOYSA-N -1 0 333.347 2.943 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCC[C@H]1C#N ZINC001605977903 1097290631 /nfs/dbraw/zinc/29/06/31/1097290631.db2.gz VXCHQSMZNIIHDX-XHDPSFHLSA-N -1 0 325.368 2.559 20 30 EFEDRM CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(CC(=O)[O-])cs1 ZINC001605981913 1097292710 /nfs/dbraw/zinc/29/27/10/1097292710.db2.gz RABKECRWWXSJTE-UHFFFAOYSA-N -1 0 343.408 2.848 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)c(Cl)c2)o1 ZINC001606019556 1097299628 /nfs/dbraw/zinc/29/96/28/1097299628.db2.gz IMXHZNSNSWYUOE-UHFFFAOYSA-N -1 0 338.158 2.916 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H](OC(C)C)c2ccccc2)o1 ZINC001606019568 1097300057 /nfs/dbraw/zinc/30/00/57/1097300057.db2.gz IQZMHLJDFSLJKR-ZDUSSCGKSA-N -1 0 341.375 2.727 20 30 EFEDRM CN(C)c1ccc(C#N)cc1CNc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001606051648 1097306620 /nfs/dbraw/zinc/30/66/20/1097306620.db2.gz KDXUZNBFVHGWOI-UHFFFAOYSA-N -1 0 349.394 2.671 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001606150396 1097328720 /nfs/dbraw/zinc/32/87/20/1097328720.db2.gz GWGFTHAYUNXBNK-UHFFFAOYSA-N -1 0 330.290 2.807 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001606148880 1097329506 /nfs/dbraw/zinc/32/95/06/1097329506.db2.gz VLMIXQPBDQNNPU-UHFFFAOYSA-N -1 0 329.400 2.735 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)c1nnc(-c2ccc(C#N)cc2)n1C ZINC001606153871 1097330276 /nfs/dbraw/zinc/33/02/76/1097330276.db2.gz IWKCFZGRKQUHGQ-UHFFFAOYSA-N -1 0 347.378 2.688 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC001606154549 1097331067 /nfs/dbraw/zinc/33/10/67/1097331067.db2.gz FHRPZQIYPNAZIV-UHFFFAOYSA-N -1 0 329.743 2.577 20 30 EFEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC001606177939 1097338998 /nfs/dbraw/zinc/33/89/98/1097338998.db2.gz YTGLKTPFJQKXSN-UHFFFAOYSA-N -1 0 348.362 2.537 20 30 EFEDRM COC(=O)[C@H](C)n1cccc1CN=Nc1cccc(F)c1C(=O)[O-] ZINC001606323433 1097382303 /nfs/dbraw/zinc/38/23/03/1097382303.db2.gz MVORQOBUKXIKLK-JTQLQIEISA-N -1 0 333.319 2.505 20 30 EFEDRM COC(=O)c1cc(N=Cc2cccc(OC)c2O)cc(C(=O)[O-])c1 ZINC001606547915 1097417593 /nfs/dbraw/zinc/41/75/93/1097417593.db2.gz AALRJNSJEMFLPD-UHFFFAOYSA-N -1 0 329.308 2.636 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C#N)c1C ZINC001606581631 1097422004 /nfs/dbraw/zinc/42/20/04/1097422004.db2.gz XAJLDOJJLCACLO-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC(=O)c1cccc(CNc2ccc(C(=O)[O-])cc2OC)c1C#N ZINC001606616733 1097429659 /nfs/dbraw/zinc/42/96/59/1097429659.db2.gz OXYKCHHIYHGYIE-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1cccc(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001606613895 1097429962 /nfs/dbraw/zinc/42/99/62/1097429962.db2.gz CSTCEMNGTKYDCA-UHFFFAOYSA-N -1 0 342.376 2.871 20 30 EFEDRM COCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(C#N)cc1 ZINC001606877505 1097465086 /nfs/dbraw/zinc/46/50/86/1097465086.db2.gz NOJZHSISKKZOSP-VOTSOKGWSA-N -1 0 340.335 2.542 20 30 EFEDRM COCc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001606965017 1097482293 /nfs/dbraw/zinc/48/22/93/1097482293.db2.gz XPUBKYDJUQQEMF-SFHVURJKSA-N -1 0 339.347 2.616 20 30 EFEDRM COc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1C#N ZINC001607068208 1097503863 /nfs/dbraw/zinc/50/38/63/1097503863.db2.gz KUDNXGCNUOAXDK-CQSZACIVSA-N -1 0 330.384 2.530 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001607064882 1097504652 /nfs/dbraw/zinc/50/46/52/1097504652.db2.gz APMBXWGUSFQOAJ-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COc1cc(C=NNc2ccc(CC(=O)[O-])cc2)cc(OC)c1OC ZINC001607153596 1097545369 /nfs/dbraw/zinc/54/53/69/1097545369.db2.gz RDSQHFFIUJMVPW-UHFFFAOYSA-N -1 0 344.367 2.786 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])Cc2cc(C#N)cs2)cc(OC)c1 ZINC001607158481 1097545937 /nfs/dbraw/zinc/54/59/37/1097545937.db2.gz DXBKZYMMIFUERF-UHFFFAOYSA-N -1 0 346.408 2.724 20 30 EFEDRM COc1cc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1C#N ZINC001607158183 1097546068 /nfs/dbraw/zinc/54/60/68/1097546068.db2.gz ZRAHCLYZHQMMJX-KRWDZBQOSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1cc(CNC(=O)c2ccccc2CCC(=O)[O-])ccc1C#N ZINC001607163050 1097547914 /nfs/dbraw/zinc/54/79/14/1097547914.db2.gz LPIVAYDPZFGKFU-UHFFFAOYSA-N -1 0 338.363 2.514 20 30 EFEDRM COc1cc(CNc2cc(C#N)sc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001607164838 1097548686 /nfs/dbraw/zinc/54/86/86/1097548686.db2.gz MLFAZBQZQCEBHP-UHFFFAOYSA-N -1 0 333.325 2.847 20 30 EFEDRM COc1cc(NC=C2C(=O)CC(C)(C)CC2=O)c(C(=O)[O-])cc1OC ZINC001607179920 1097553106 /nfs/dbraw/zinc/55/31/06/1097553106.db2.gz LKCQMCLGSBUEBJ-UHFFFAOYSA-N -1 0 347.367 2.656 20 30 EFEDRM COc1cc(NC(=O)c2sccc2CC#N)c(C(=O)[O-])cc1OC ZINC001607180395 1097553722 /nfs/dbraw/zinc/55/37/22/1097553722.db2.gz YHRBOMNXXUKHTQ-UHFFFAOYSA-N -1 0 346.364 2.782 20 30 EFEDRM COc1cc(OC)cc([C@H](Sc2ccncc2C#N)C(=O)[O-])c1 ZINC001607184886 1097554348 /nfs/dbraw/zinc/55/43/48/1097554348.db2.gz KMVPHVPAHXNDKK-HNNXBMFYSA-N -1 0 330.365 2.888 20 30 EFEDRM COc1ccc(C[C@@H](C)CN(C)c2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001607244617 1097572910 /nfs/dbraw/zinc/57/29/10/1097572910.db2.gz XLPXRZGDDAWUIN-CYBMUJFWSA-N -1 0 339.395 2.975 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(C#N)oc1C ZINC001607245525 1097573099 /nfs/dbraw/zinc/57/30/99/1097573099.db2.gz KHYVNWNHAYMKLL-GQCTYLIASA-N -1 0 327.292 2.785 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(C#N)oc1C ZINC001607245526 1097573143 /nfs/dbraw/zinc/57/31/43/1097573143.db2.gz KHYVNWNHAYMKLL-XQRVVYSFSA-N -1 0 327.292 2.785 20 30 EFEDRM COc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1C#N ZINC001607261410 1097577843 /nfs/dbraw/zinc/57/78/43/1097577843.db2.gz UHSBYXZDOYCHMS-UHFFFAOYSA-N -1 0 341.323 2.714 20 30 EFEDRM COc1ccc(COC(=O)Cc2ccccc2C(=O)[O-])cc1C#N ZINC001607260868 1097577975 /nfs/dbraw/zinc/57/79/75/1097577975.db2.gz SGJDGSYADXVUAG-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1C#N ZINC001607274059 1097581588 /nfs/dbraw/zinc/58/15/88/1097581588.db2.gz OQDCMYYYCFXEHQ-UHFFFAOYSA-N -1 0 349.346 2.928 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1c(C)n(C)nc1C(=O)[O-])CC2 ZINC001607294089 1097586490 /nfs/dbraw/zinc/58/64/90/1097586490.db2.gz CKXRVUYSMQHPHE-WQLSENKSSA-N -1 0 326.352 2.648 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1CC(=O)[O-] ZINC001607433767 1097627804 /nfs/dbraw/zinc/62/78/04/1097627804.db2.gz YSTHSWUJTVCVLL-DGCLKSJQSA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)Cc2cccc(C#N)c2)[C@@H]1C(=O)[O-] ZINC001607446631 1097629806 /nfs/dbraw/zinc/62/98/06/1097629806.db2.gz GQOJIANFXGVBAD-YJYMSZOUSA-N -1 0 334.375 2.779 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)c2ccc3c(C#N)c[nH]c3c2)(C(=O)[O-])CC1 ZINC001607463435 1097633964 /nfs/dbraw/zinc/63/39/64/1097633964.db2.gz BOSSUBHPQVNIRE-CKSWESSHSA-N -1 0 325.368 2.803 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001607484428 1097637521 /nfs/dbraw/zinc/63/75/21/1097637521.db2.gz JZXDOFGYKUWNCA-UHFFFAOYSA-N -1 0 335.266 2.747 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C#N)oc2C)c(C)c1C(=O)[O-] ZINC001607485572 1097639143 /nfs/dbraw/zinc/63/91/43/1097639143.db2.gz FVZKEMBQNJCJSJ-SNVBAGLBSA-N -1 0 344.323 2.531 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1cn2ccccc2c1C#N ZINC001607495313 1097642231 /nfs/dbraw/zinc/64/22/31/1097642231.db2.gz LMJLYFJDCYBEEQ-UHFFFAOYSA-N -1 0 337.335 2.811 20 30 EFEDRM Cc1c(C#N)c(N2CCSC[C@H](C(=O)[O-])C2)nc2ccccc12 ZINC001607504491 1097644898 /nfs/dbraw/zinc/64/48/98/1097644898.db2.gz NLUREJOSBLVIAM-GFCCVEGCSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1c(NC(=O)[C@H](C)CC#N)ccc(Br)c1C(=O)[O-] ZINC001607536346 1097654220 /nfs/dbraw/zinc/65/42/20/1097654220.db2.gz BIGBBEUIRFDBIF-SSDOTTSWSA-N -1 0 325.162 2.944 20 30 EFEDRM Cc1c(NCCO[C@H](C)C#N)cc(Br)cc1C(=O)[O-] ZINC001607549186 1097659341 /nfs/dbraw/zinc/65/93/41/1097659341.db2.gz NUMDKIBKFTWDRQ-MRVPVSSYSA-N -1 0 327.178 2.796 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607564272 1097661856 /nfs/dbraw/zinc/66/18/56/1097661856.db2.gz BVUKVDGSDYLYNJ-DNVCBOLYSA-N -1 0 326.396 2.892 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001607565375 1097662675 /nfs/dbraw/zinc/66/26/75/1097662675.db2.gz ITMBTHYPCLWNBC-UHFFFAOYSA-N -1 0 325.320 2.801 20 30 EFEDRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])ncc1C#N ZINC001607569065 1097662722 /nfs/dbraw/zinc/66/27/22/1097662722.db2.gz BKPGNWWUUWDNNR-AWEZNQCLSA-N -1 0 337.379 2.625 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001607565250 1097662786 /nfs/dbraw/zinc/66/27/86/1097662786.db2.gz FAJYOMTUTAPDOJ-SFHVURJKSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc(C)c1C#N ZINC001607570776 1097663605 /nfs/dbraw/zinc/66/36/05/1097663605.db2.gz CMTUNPPFLOJYHN-OAHLLOKOSA-N -1 0 340.301 2.654 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001607587373 1097668159 /nfs/dbraw/zinc/66/81/59/1097668159.db2.gz AGYILKIXKVIWKU-UHFFFAOYSA-N -1 0 342.336 2.723 20 30 EFEDRM Cc1cc(C(=O)O[C@H](CCCc2ccccc2)C(=O)[O-])ncc1C#N ZINC001607605197 1097672965 /nfs/dbraw/zinc/67/29/65/1097672965.db2.gz IZEZNWXQDGETTJ-QGZVFWFLSA-N -1 0 338.363 2.895 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1/C=C\C(=O)c1cn(CC(=O)[O-])nn1 ZINC001607611571 1097675684 /nfs/dbraw/zinc/67/56/84/1097675684.db2.gz GIMONICQWPGECF-HYXAFXHYSA-N -1 0 339.273 2.586 20 30 EFEDRM Cc1cc(C)cc(C2(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)CC2)c1 ZINC001607626015 1097681147 /nfs/dbraw/zinc/68/11/47/1097681147.db2.gz RUSXMZYIQFRTMQ-UHFFFAOYSA-N -1 0 326.396 2.552 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2ncc(C#N)cc2Cl)C(=O)[O-])c1 ZINC001607627674 1097682044 /nfs/dbraw/zinc/68/20/44/1097682044.db2.gz ZQBBZWMGFWMTOV-AWEZNQCLSA-N -1 0 343.770 2.779 20 30 EFEDRM Cc1cc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)oc1C(=O)[O-] ZINC001607643956 1097687270 /nfs/dbraw/zinc/68/72/70/1097687270.db2.gz TVAFYTGNWUAYEQ-HNNXBMFYSA-N -1 0 339.351 2.645 20 30 EFEDRM Cc1cc(COC(=O)[C@@H](C)Oc2ccccc2C#N)oc1C(=O)[O-] ZINC001607651896 1097690228 /nfs/dbraw/zinc/69/02/28/1097690228.db2.gz DHWXIGQPYAUNNV-LLVKDONJSA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1cc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(C#N)cc1N(C)C ZINC001607684578 1097697871 /nfs/dbraw/zinc/69/78/71/1097697871.db2.gz OYNWIBNQXZCIAA-GOSISDBHSA-N -1 0 344.415 2.698 20 30 EFEDRM Cc1cc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c(C#N)cn1 ZINC001607685372 1097698857 /nfs/dbraw/zinc/69/88/57/1097698857.db2.gz VLBOZJSUNFRWFI-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ncc1C#N ZINC001607689525 1097699760 /nfs/dbraw/zinc/69/97/60/1097699760.db2.gz HWFJQZFAHUMDKX-CABCVRRESA-N -1 0 336.351 2.696 20 30 EFEDRM Cc1cc(OCCCC(=O)N(CC#N)CCC(=O)[O-])ccc1Cl ZINC001607703392 1097703887 /nfs/dbraw/zinc/70/38/87/1097703887.db2.gz VOMXBMQQYSYHQJ-UHFFFAOYSA-N -1 0 338.791 2.634 20 30 EFEDRM Cc1oc(S(=O)(=O)Oc2cc(C)c(C#N)c(C)c2C)cc1C(=O)[O-] ZINC001607702313 1097704365 /nfs/dbraw/zinc/70/43/65/1097704365.db2.gz JFFGWRZPEJGCCE-UHFFFAOYSA-N -1 0 349.364 2.851 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001607724549 1097710412 /nfs/dbraw/zinc/71/04/12/1097710412.db2.gz RFNJMGXGPQHAQE-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CC(C)(C)C#N ZINC001607740472 1097715634 /nfs/dbraw/zinc/71/56/34/1097715634.db2.gz MVLWBMJHJZEYIL-LLVKDONJSA-N -1 0 332.356 2.503 20 30 EFEDRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607751025 1097719665 /nfs/dbraw/zinc/71/96/65/1097719665.db2.gz XWNOGTLPWFCQAT-UHFFFAOYSA-N -1 0 344.411 2.714 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC001607755424 1097721612 /nfs/dbraw/zinc/72/16/12/1097721612.db2.gz YRMXZQONEWNUQB-NEPJUHHUSA-N -1 0 343.305 2.655 20 30 EFEDRM Cc1ccc([C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C2CC2)cc1 ZINC001607759491 1097723256 /nfs/dbraw/zinc/72/32/56/1097723256.db2.gz WFRQMOXWPVURKG-INIZCTEOSA-N -1 0 341.411 2.846 20 30 EFEDRM Cc1ccc([C@@H]2COCCN2Cc2cccc(C(=O)[O-])c2C#N)o1 ZINC001607767868 1097726359 /nfs/dbraw/zinc/72/63/59/1097726359.db2.gz AXJUIMDHDDNIBD-INIZCTEOSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1C#N ZINC001607782067 1097730404 /nfs/dbraw/zinc/73/04/04/1097730404.db2.gz CCPXXBWEDKUMNS-UHFFFAOYSA-N -1 0 349.390 2.833 20 30 EFEDRM Cc1cccc([C@@H](OC(=O)CC2(C#N)CCOCC2)C(=O)[O-])c1C ZINC001607843542 1097751484 /nfs/dbraw/zinc/75/14/84/1097751484.db2.gz CGPAWFCVBUEELE-MRXNPFEDSA-N -1 0 331.368 2.683 20 30 EFEDRM Cc1cccc(N(CCC#N)C(=O)CN(CC(=O)[O-])CC(C)C)c1C ZINC001607855117 1097755314 /nfs/dbraw/zinc/75/53/14/1097755314.db2.gz VEEFZFIZHRZCQL-UHFFFAOYSA-N -1 0 345.443 2.593 20 30 EFEDRM Cc1cccc2c1O[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001607866758 1097759641 /nfs/dbraw/zinc/75/96/41/1097759641.db2.gz ZAGSVOSJCZUDBY-DOTOQJQBSA-N -1 0 337.331 2.539 20 30 EFEDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)c1c(F)cc(C#N)cc1F ZINC001607866978 1097759935 /nfs/dbraw/zinc/75/99/35/1097759935.db2.gz VTIANDXAOOQPEA-HNNXBMFYSA-N -1 0 342.301 2.801 20 30 EFEDRM Cc1cccnc1C(F)(F)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607887970 1097768395 /nfs/dbraw/zinc/76/83/95/1097768395.db2.gz KFIKFCZZXQMGSA-CYBMUJFWSA-N -1 0 346.289 2.723 20 30 EFEDRM Cc1nc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc23)ccc1C#N ZINC001607946536 1097784669 /nfs/dbraw/zinc/78/46/69/1097784669.db2.gz TZEYYZRJZTXAFS-UHFFFAOYSA-N -1 0 332.319 2.760 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCCOc2ccccc2C(=O)[O-])n1 ZINC001607947497 1097785373 /nfs/dbraw/zinc/78/53/73/1097785373.db2.gz GOYCXGCOFNQQCL-UHFFFAOYSA-N -1 0 329.381 2.834 20 30 EFEDRM Cc1nc(NC(=O)C2(c3cccc(C#N)c3)CC2)sc1C(=O)[O-] ZINC001607962719 1097790157 /nfs/dbraw/zinc/79/01/57/1097790157.db2.gz QMPIZOFLMVLVFD-UHFFFAOYSA-N -1 0 327.365 2.692 20 30 EFEDRM Cc1nc(NC(=O)Cc2cccc(C(=O)[O-])c2)sc1SCC#N ZINC001607962905 1097790179 /nfs/dbraw/zinc/79/01/79/1097790179.db2.gz VZYSCZHOCMVSTH-UHFFFAOYSA-N -1 0 347.421 2.947 20 30 EFEDRM Cc1nc(N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)c(Cl)cc1C#N ZINC001607965505 1097791264 /nfs/dbraw/zinc/79/12/64/1097791264.db2.gz NRUZGJVFZUVITM-BWBHSNQOSA-N -1 0 335.791 2.739 20 30 EFEDRM Cc1nc2cc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)ccc2s1 ZINC001607970467 1097792898 /nfs/dbraw/zinc/79/28/98/1097792898.db2.gz PMFKUHJKJFARBB-UHFFFAOYSA-N -1 0 344.396 2.827 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CSc2nc(C(=O)[O-])c[nH]2)c1C#N ZINC001607995653 1097799536 /nfs/dbraw/zinc/79/95/36/1097799536.db2.gz NGMVVEYDKZTVCI-UHFFFAOYSA-N -1 0 339.380 2.766 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C#N ZINC001607996024 1097800259 /nfs/dbraw/zinc/80/02/59/1097800259.db2.gz VRJLVJCDMFBYCR-UKRRQHHQSA-N -1 0 338.411 2.738 20 30 EFEDRM Cc1nsc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C#N ZINC001608030657 1097810536 /nfs/dbraw/zinc/81/05/36/1097810536.db2.gz VWNUBOHOYLSLPO-WBMJQRKESA-N -1 0 327.365 2.520 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001608032130 1097811376 /nfs/dbraw/zinc/81/13/76/1097811376.db2.gz LEXINCACLXAASJ-UHFFFAOYSA-N -1 0 342.336 2.862 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C=NN[C@H](C)CCc1ccc2c(c1)OCO2 ZINC001608035386 1097811635 /nfs/dbraw/zinc/81/16/35/1097811635.db2.gz SDWLKXUDGNFIBK-LLVKDONJSA-N -1 0 344.367 2.960 20 30 EFEDRM Cc1oc(CN2CCC[C@](C#N)(c3ccccn3)C2)cc1C(=O)[O-] ZINC001608048388 1097815323 /nfs/dbraw/zinc/81/53/23/1097815323.db2.gz IHOYTKNNNDTPDZ-GOSISDBHSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1oc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608048297 1097815772 /nfs/dbraw/zinc/81/57/72/1097815772.db2.gz GNFYIIWDVYDJFH-JTQLQIEISA-N -1 0 327.340 2.718 20 30 EFEDRM Cn1c(=O)ccc2c1CCCC2=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001608092536 1097832792 /nfs/dbraw/zinc/83/27/92/1097832792.db2.gz WSBCYOWSGXTITP-UHFFFAOYSA-N -1 0 345.786 2.889 20 30 EFEDRM Cn1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C2CCC2)n1 ZINC001608105760 1097835554 /nfs/dbraw/zinc/83/55/54/1097835554.db2.gz MDCMUMLIEVHXJR-UHFFFAOYSA-N -1 0 339.351 2.614 20 30 EFEDRM N#CC(C(=O)CCc1ocnc1C(=O)[O-])c1nc(C2CC2)cs1 ZINC001608169875 1097849380 /nfs/dbraw/zinc/84/93/80/1097849380.db2.gz FCNGNYOOQDJPSE-SECBINFHSA-N -1 0 331.353 2.516 20 30 EFEDRM N#C[C@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)Cc1cccs1 ZINC001608173614 1097850652 /nfs/dbraw/zinc/85/06/52/1097850652.db2.gz IJDCXUIMQSHVLW-GFCCVEGCSA-N -1 0 345.376 2.751 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001608172043 1097850792 /nfs/dbraw/zinc/85/07/92/1097850792.db2.gz UQXXEGNSXOPSIM-UHFFFAOYSA-N -1 0 344.386 2.755 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ccc(F)cc2Br)CC1 ZINC001608174152 1097851910 /nfs/dbraw/zinc/85/19/10/1097851910.db2.gz JIAWJXPWJGVGLV-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001608181568 1097852557 /nfs/dbraw/zinc/85/25/57/1097852557.db2.gz LQPOPQPPHBNTQZ-LBPRGKRZSA-N -1 0 325.368 2.561 20 30 EFEDRM N#C[C@]1(NC(=O)c2ccc(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001608177301 1097852569 /nfs/dbraw/zinc/85/25/69/1097852569.db2.gz RSQPYWRXBFMRHI-IBGZPJMESA-N -1 0 338.338 2.705 20 30 EFEDRM N#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001608179797 1097852660 /nfs/dbraw/zinc/85/26/60/1097852660.db2.gz APLLWVQIXXOKJD-CYBMUJFWSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CCC[C@H](NC(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001608182230 1097852781 /nfs/dbraw/zinc/85/27/81/1097852781.db2.gz XSPBTSSQNSIINO-LBPRGKRZSA-N -1 0 344.396 2.686 20 30 EFEDRM N#CCC1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001608180952 1097853022 /nfs/dbraw/zinc/85/30/22/1097853022.db2.gz BSRBGZFFZWQGHT-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM N#C[C@@]1(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CCc2ccccc2C1 ZINC001608177018 1097853179 /nfs/dbraw/zinc/85/31/79/1097853179.db2.gz JAFACKZHTZDVKD-LJQANCHMSA-N -1 0 338.338 2.705 20 30 EFEDRM N#C[C@]1(NC(=O)c2ccccc2CCC(=O)[O-])CCc2ccccc2C1 ZINC001608176984 1097853185 /nfs/dbraw/zinc/85/31/85/1097853185.db2.gz HRTGSKJBIPUZCU-NRFANRHFSA-N -1 0 348.402 2.885 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001608179336 1097853199 /nfs/dbraw/zinc/85/31/99/1097853199.db2.gz UNJZVBZHAQILLZ-UHFFFAOYSA-N -1 0 339.370 2.976 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC001608178187 1097853270 /nfs/dbraw/zinc/85/32/70/1097853270.db2.gz LDEBLMYBPGBPNJ-KYHPRHEASA-N -1 0 326.396 2.786 20 30 EFEDRM N#CC1(NC(=O)COc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001608176987 1097853500 /nfs/dbraw/zinc/85/35/00/1097853500.db2.gz HWPHAXHSXYMPGJ-UHFFFAOYSA-N -1 0 336.775 2.760 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001608184370 1097853814 /nfs/dbraw/zinc/85/38/14/1097853814.db2.gz XHGRBMKCQMFNDZ-UHFFFAOYSA-N -1 0 345.376 2.538 20 30 EFEDRM N#CCCNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001608184705 1097853823 /nfs/dbraw/zinc/85/38/23/1097853823.db2.gz SVCUXYCIUMPBDR-UHFFFAOYSA-N -1 0 340.383 2.669 20 30 EFEDRM N#CCSc1cccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001608186619 1097854035 /nfs/dbraw/zinc/85/40/35/1097854035.db2.gz AFYIMNRXROBRBG-PBHICJAKSA-N -1 0 330.409 2.772 20 30 EFEDRM N#CCCn1ccc(N[C@H](C(=O)[O-])c2ccccc2Br)n1 ZINC001608183087 1097854133 /nfs/dbraw/zinc/85/41/33/1097854133.db2.gz HWMDOHGOKMTEGN-ZDUSSCGKSA-N -1 0 349.188 2.797 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001608188928 1097854823 /nfs/dbraw/zinc/85/48/23/1097854823.db2.gz QJYKPMOHHBCOBU-QGZVFWFLSA-N -1 0 343.310 2.640 20 30 EFEDRM N#CCc1ccc(CSCc2noc(CCCC(=O)[O-])n2)cc1 ZINC001608188916 1097854912 /nfs/dbraw/zinc/85/49/12/1097854912.db2.gz ZYLGIGXIWJCWRD-UHFFFAOYSA-N -1 0 331.397 2.976 20 30 EFEDRM N#CCOc1ccc(CC(=O)OC[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001608188448 1097855036 /nfs/dbraw/zinc/85/50/36/1097855036.db2.gz FTXKJPAXSJUEFP-GDBMZVCRSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCSc1ccccc1C(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001608188673 1097855180 /nfs/dbraw/zinc/85/51/80/1097855180.db2.gz QZBICWAKWLZDLT-WVWOOGAGSA-N -1 0 331.393 2.958 20 30 EFEDRM N#CCc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001608187868 1097855394 /nfs/dbraw/zinc/85/53/94/1097855394.db2.gz BKBNTLRRGOJXCP-UHFFFAOYSA-N -1 0 326.396 2.794 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1F ZINC001608192031 1097856194 /nfs/dbraw/zinc/85/61/94/1097856194.db2.gz HAQLQWVDCHTXAB-BFQNTYOBSA-N -1 0 348.349 2.942 20 30 EFEDRM N#Cc1c(COC(=O)c2coc3c2C(=O)CCC3)cccc1C(=O)[O-] ZINC001608191746 1097856314 /nfs/dbraw/zinc/85/63/14/1097856314.db2.gz ASAFMRGUABJBEG-UHFFFAOYSA-N -1 0 339.303 2.725 20 30 EFEDRM N#Cc1c(COC(=O)c2cc3c(s2)CCOC3)cccc1C(=O)[O-] ZINC001608191034 1097856377 /nfs/dbraw/zinc/85/63/77/1097856377.db2.gz NNTFPSXXGLXKLW-UHFFFAOYSA-N -1 0 343.360 2.748 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)NC[C@H](F)C(=O)[O-])cc2)cc1 ZINC001608189670 1097856474 /nfs/dbraw/zinc/85/64/74/1097856474.db2.gz GATZYEHIPWEORR-INIZCTEOSA-N -1 0 342.326 2.697 20 30 EFEDRM N#CCc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608189969 1097856707 /nfs/dbraw/zinc/85/67/07/1097856707.db2.gz XDZATOSZIZLDFI-INIZCTEOSA-N -1 0 341.342 2.882 20 30 EFEDRM N#CCn1c(C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC001608190354 1097856736 /nfs/dbraw/zinc/85/67/36/1097856736.db2.gz PCGMHBPBXVEUSQ-UONOGXRCSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608189662 1097856819 /nfs/dbraw/zinc/85/68/19/1097856819.db2.gz FVYKNTPMGBOARJ-CQSZACIVSA-N -1 0 330.388 2.550 20 30 EFEDRM N#Cc1c(Cn2cnc3cccc(Cl)c3c2=O)cccc1C(=O)[O-] ZINC001608192666 1097857186 /nfs/dbraw/zinc/85/71/86/1097857186.db2.gz WFILYVZSFCIFPM-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608194773 1097857319 /nfs/dbraw/zinc/85/73/19/1097857319.db2.gz WQHJWZSHKPHPMS-UHFFFAOYSA-N -1 0 331.372 2.784 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cs1 ZINC001608194564 1097857744 /nfs/dbraw/zinc/85/77/44/1097857744.db2.gz ZGDCPQALHGDAIW-SECBINFHSA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1cc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nc(C2CC2)n1 ZINC001608198137 1097858281 /nfs/dbraw/zinc/85/82/81/1097858281.db2.gz OZEAOYBGXYZEGH-HZPDHXFCSA-N -1 0 334.379 2.530 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2Br)ccn1 ZINC001608195744 1097858677 /nfs/dbraw/zinc/85/86/77/1097858677.db2.gz GCEHUBWOZBVGQL-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)c(F)c1 ZINC001608197092 1097858719 /nfs/dbraw/zinc/85/87/19/1097858719.db2.gz PIHMPDFXLDKDGY-UHFFFAOYSA-N -1 0 337.669 2.835 20 30 EFEDRM N#Cc1cc2c(nc1OCC(=O)c1cc(C(=O)[O-])co1)CCCCC2 ZINC001608198327 1097858895 /nfs/dbraw/zinc/85/88/95/1097858895.db2.gz AGGDAWXZVZVFLY-UHFFFAOYSA-N -1 0 340.335 2.775 20 30 EFEDRM N#Cc1cc(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1OC(F)(F)F ZINC001608197585 1097858957 /nfs/dbraw/zinc/85/89/57/1097858957.db2.gz HHKRMQHJWMZTFL-SCZZXKLOSA-N -1 0 336.216 2.835 20 30 EFEDRM N#Cc1cc(F)cc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001608197379 1097859049 /nfs/dbraw/zinc/85/90/49/1097859049.db2.gz ZVRFNKSKPCMXIM-UHFFFAOYSA-N -1 0 345.286 2.681 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001608198637 1097859365 /nfs/dbraw/zinc/85/93/65/1097859365.db2.gz RNLYOAZKXWFJQP-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)cn1 ZINC001608199445 1097859451 /nfs/dbraw/zinc/85/94/51/1097859451.db2.gz HFIPLSDBIAQBBS-UHFFFAOYSA-N -1 0 347.277 2.548 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cn1 ZINC001608200167 1097859459 /nfs/dbraw/zinc/85/94/59/1097859459.db2.gz FOIQVBKODLAXQN-RDTXWAMCSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC001608198997 1097859523 /nfs/dbraw/zinc/85/95/23/1097859523.db2.gz NPUKCWQUCFOCAS-ZDUSSCGKSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1ccc(Br)nc1N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001608199231 1097859530 /nfs/dbraw/zinc/85/95/30/1097859530.db2.gz YIZDANYQUJPTBE-YTWAJWBKSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC001608199039 1097859572 /nfs/dbraw/zinc/85/95/72/1097859572.db2.gz PGWZPRKOAFLJEW-CXAGYDPISA-N -1 0 332.787 2.929 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1F ZINC001608198698 1097859802 /nfs/dbraw/zinc/85/98/02/1097859802.db2.gz WVJLJRYTURCLGA-BDJLRTHQSA-N -1 0 333.319 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC001608198845 1097860034 /nfs/dbraw/zinc/86/00/34/1097860034.db2.gz FPNCTVQMTAMAPR-ZIAGYGMSSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001608202484 1097861054 /nfs/dbraw/zinc/86/10/54/1097861054.db2.gz PUFSJOFRDWQNQE-CQSZACIVSA-N -1 0 330.727 2.582 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CSCC(F)(F)F)C(=O)[O-])cc1 ZINC001608203750 1097861573 /nfs/dbraw/zinc/86/15/73/1097861573.db2.gz ULWXDNFSOBCBET-NSHDSACASA-N -1 0 333.287 2.523 20 30 EFEDRM N#Cc1ccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc1F ZINC001608204769 1097861619 /nfs/dbraw/zinc/86/16/19/1097861619.db2.gz LHLJWCUQZMSBJA-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC001608204525 1097861832 /nfs/dbraw/zinc/86/18/32/1097861832.db2.gz DIEFIFGSYPZNKC-HNNXBMFYSA-N -1 0 341.392 2.513 20 30 EFEDRM N#Cc1ccc(CCNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001608204911 1097862037 /nfs/dbraw/zinc/86/20/37/1097862037.db2.gz RXZQKVFYYFVQHG-UHFFFAOYSA-N -1 0 347.374 2.639 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3csc(C(=O)[O-])c3)CCO2)cc1 ZINC001608204271 1097862058 /nfs/dbraw/zinc/86/20/58/1097862058.db2.gz YFMCMGYGKZHBEC-HNNXBMFYSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc(CC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cn1 ZINC001608203869 1097862156 /nfs/dbraw/zinc/86/21/56/1097862156.db2.gz KYHBCVNRAHJYEF-UHFFFAOYSA-N -1 0 335.363 2.563 20 30 EFEDRM N#Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC001608204824 1097862412 /nfs/dbraw/zinc/86/24/12/1097862412.db2.gz PRGMATHPPIYXML-UHFFFAOYSA-N -1 0 337.301 2.767 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001608204997 1097862825 /nfs/dbraw/zinc/86/28/25/1097862825.db2.gz TYXSNXCMBUMMBM-ZDUSSCGKSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001608206384 1097863368 /nfs/dbraw/zinc/86/33/68/1097863368.db2.gz WUUFXPWPYYOGEW-GFCCVEGCSA-N -1 0 349.818 2.727 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](CCF)C(=O)[O-])c2)cc1 ZINC001608209745 1097863937 /nfs/dbraw/zinc/86/39/37/1097863937.db2.gz NNYFHEAFPPPVPE-INIZCTEOSA-N -1 0 342.326 2.893 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001608213069 1097864882 /nfs/dbraw/zinc/86/48/82/1097864882.db2.gz GCENPESGGCNXRW-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCc2ccccc2F)C(=O)[O-])c1 ZINC001608215939 1097865938 /nfs/dbraw/zinc/86/59/38/1097865938.db2.gz AYFNTOSJPSTOSQ-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)cnc2Cl)C(=O)[O-])c1 ZINC001608215995 1097865989 /nfs/dbraw/zinc/86/59/89/1097865989.db2.gz BZHKMXTYUHLXRP-LBPRGKRZSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN(C3CC3)C3(C(=O)[O-])CCC3)o2)c1 ZINC001608214833 1097866028 /nfs/dbraw/zinc/86/60/28/1097866028.db2.gz UWSXBNVNENCVRR-UHFFFAOYSA-N -1 0 338.367 2.580 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Oc3ccccc3CC(=O)[O-])n2)c1 ZINC001608215415 1097866126 /nfs/dbraw/zinc/86/61/26/1097866126.db2.gz RDMRVLPMCUNJGE-UHFFFAOYSA-N -1 0 347.330 2.590 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)c(F)cc2N)C(=O)[O-])c1 ZINC001608216061 1097866469 /nfs/dbraw/zinc/86/64/69/1097866469.db2.gz DCFTVQODXVHERD-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c1 ZINC001608215517 1097866497 /nfs/dbraw/zinc/86/64/97/1097866497.db2.gz UKCPRLZUMDUKSQ-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])nc2)c1Br ZINC001608214872 1097866503 /nfs/dbraw/zinc/86/65/03/1097866503.db2.gz IDAPAWVIVFMRPJ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc3c2CCOC3)C(=O)[O-])c1 ZINC001608216855 1097867353 /nfs/dbraw/zinc/86/73/53/1097867353.db2.gz YCNRNRAOEPWFHI-QGZVFWFLSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001608217021 1097867424 /nfs/dbraw/zinc/86/74/24/1097867424.db2.gz HOHSNJHTBDVASX-IAGOWNOFSA-N -1 0 335.363 2.890 20 30 EFEDRM N#Cc1ccnc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1 ZINC001608220808 1097868340 /nfs/dbraw/zinc/86/83/40/1097868340.db2.gz MAHLNPRKUAIOSO-UONOGXRCSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001608220604 1097868600 /nfs/dbraw/zinc/86/86/00/1097868600.db2.gz FTLPLZFXKNUDDX-RQWLHQTBSA-N -1 0 346.386 2.826 20 30 EFEDRM N#Cc1cccc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001608218805 1097868685 /nfs/dbraw/zinc/86/86/85/1097868685.db2.gz ZPPBRHCGBVRRKG-CYBMUJFWSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001608223575 1097869387 /nfs/dbraw/zinc/86/93/87/1097869387.db2.gz ZTISGGUORQHQKU-AWEZNQCLSA-N -1 0 343.770 2.943 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001608221233 1097869700 /nfs/dbraw/zinc/86/97/00/1097869700.db2.gz QLSQAMGURAFIGY-UHFFFAOYSA-N -1 0 344.317 2.707 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001608223169 1097869814 /nfs/dbraw/zinc/86/98/14/1097869814.db2.gz VYMITZZIQKQHMQ-GWCFXTLKSA-N -1 0 345.786 2.909 20 30 EFEDRM N#Cc1sccc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001608225420 1097870442 /nfs/dbraw/zinc/87/04/42/1097870442.db2.gz WQEKBVVPSWWWPW-SSDOTTSWSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1Cc2ccccc2OC2(CCC2)C1 ZINC001608224511 1097870455 /nfs/dbraw/zinc/87/04/55/1097870455.db2.gz YSFQKKPAEOAHTR-UHFFFAOYSA-N -1 0 335.363 2.973 20 30 EFEDRM N#Cc1cscc1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608224355 1097870672 /nfs/dbraw/zinc/87/06/72/1097870672.db2.gz WAAGHOFWAMETMI-SECBINFHSA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1cscc1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608224357 1097870776 /nfs/dbraw/zinc/87/07/76/1097870776.db2.gz WAAGHOFWAMETMI-VIFPVBQESA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001608224383 1097870973 /nfs/dbraw/zinc/87/09/73/1097870973.db2.gz QOQUCWSJPWFLCJ-PRHODGIISA-N -1 0 329.278 2.563 20 30 EFEDRM O=C([O-])c1cc(NC(=O)c2cccc(C#CCO)c2)cc(F)c1Cl ZINC001608502765 1097933650 /nfs/dbraw/zinc/93/36/50/1097933650.db2.gz JXFAFFSWFFVQFR-UHFFFAOYSA-N -1 0 347.729 2.773 20 30 EFEDRM O=C([O-])C1=C(C(=O)C2CC2)[C@H](c2cccs2)NC(=O)N1CC1CC1 ZINC001608587102 1097962828 /nfs/dbraw/zinc/96/28/28/1097962828.db2.gz OTOPGKBQRNVTBJ-ZDUSSCGKSA-N -1 0 346.408 2.542 20 30 EFEDRM O=C([O-])CC1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001608696967 1097993088 /nfs/dbraw/zinc/99/30/88/1097993088.db2.gz FGWIFHUCQIIRHX-UHFFFAOYSA-N -1 0 339.313 2.770 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cnn(CC(F)F)c2)cc1 ZINC001608758212 1098011843 /nfs/dbraw/zinc/01/18/43/1098011843.db2.gz VJDFATCTZZXHNL-BHQIHCQQSA-N -1 0 336.294 2.508 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cc(Br)ncc2F)c[nH]1 ZINC001608841530 1098040731 /nfs/dbraw/zinc/04/07/31/1098040731.db2.gz XODPTLJSSORNMS-OWOJBTEDSA-N -1 0 339.120 2.906 20 30 EFEDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC#C[C@H]1CCCCO1 ZINC001608863189 1098048577 /nfs/dbraw/zinc/04/85/77/1098048577.db2.gz XYLIRGSUUZSNQT-LLVKDONJSA-N -1 0 338.747 2.931 20 30 EFEDRM O=C([O-])c1ccc(C=NNC(=S)NCC2CCC2)cc1Cl ZINC001608879013 1098055185 /nfs/dbraw/zinc/05/51/85/1098055185.db2.gz JQRFCNNADUULLJ-UHFFFAOYSA-N -1 0 325.821 2.636 20 30 EFEDRM O=C([O-])c1ccc(C=NOC[C@H]2CCOC2)c(Br)c1 ZINC001608879494 1098055467 /nfs/dbraw/zinc/05/54/67/1098055467.db2.gz KGEQFBMOGTYOCP-VIFPVBQESA-N -1 0 328.162 2.534 20 30 EFEDRM O=C([O-])c1ccc(C=NN[C@H]2CCSC2)cc1Br ZINC001608879085 1098055658 /nfs/dbraw/zinc/05/56/58/1098055658.db2.gz OOXFIIDFTVFBGX-VIFPVBQESA-N -1 0 329.219 2.576 20 30 EFEDRM O=C([O-])c1ccc2c(=O)n(CC#Cc3ccc(Cl)cc3)cnc2c1 ZINC001608918184 1098071390 /nfs/dbraw/zinc/07/13/90/1098071390.db2.gz BSWMCOZHIDPVSX-UHFFFAOYSA-N -1 0 338.750 2.800 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2csc(C3CC3)n2)c1 ZINC001608927698 1098076507 /nfs/dbraw/zinc/07/65/07/1098076507.db2.gz AXRDSMNHOSNOCK-UHFFFAOYSA-N -1 0 327.361 2.927 20 30 EFEDRM O=C([O-])c1cccc(C2=NN/C(=N/Cc3ccccc3)SC2)c1 ZINC001608929813 1098077970 /nfs/dbraw/zinc/07/79/70/1098077970.db2.gz QYKRMMAKIGMDCU-UHFFFAOYSA-N -1 0 325.393 2.982 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1 ZINC001608979291 1098097426 /nfs/dbraw/zinc/09/74/26/1098097426.db2.gz TUQARZTUYHQIGQ-UTCJRWHESA-N -1 0 338.363 2.513 20 30 EFEDRM C#C[C@H](CC)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001609054974 1098122983 /nfs/dbraw/zinc/12/29/83/1098122983.db2.gz TYJKAXNOJGUKTI-CYBMUJFWSA-N -1 0 343.408 2.719 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001609054340 1098123156 /nfs/dbraw/zinc/12/31/56/1098123156.db2.gz HMLBFKZOWSMANH-GFCCVEGCSA-N -1 0 326.352 2.837 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001609055256 1098123214 /nfs/dbraw/zinc/12/32/14/1098123214.db2.gz ZFONPQSTJGMDEZ-GFCCVEGCSA-N -1 0 326.352 2.789 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001609054786 1098123491 /nfs/dbraw/zinc/12/34/91/1098123491.db2.gz REALQLKOHGVCFP-RYUDHWBXSA-N -1 0 335.429 2.798 20 30 EFEDRM C#C[C@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC001609057887 1098124268 /nfs/dbraw/zinc/12/42/68/1098124268.db2.gz IQSFAGSYDYFDEF-FUHWJXTLSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001609058130 1098124277 /nfs/dbraw/zinc/12/42/77/1098124277.db2.gz QADHRMISNOOTRR-AWEZNQCLSA-N -1 0 343.770 2.858 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001609057964 1098124831 /nfs/dbraw/zinc/12/48/31/1098124831.db2.gz LBCPDLXQMFZOGW-QWHCGFSZSA-N -1 0 342.317 2.945 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(O)cc2)o1 ZINC001609061481 1098127472 /nfs/dbraw/zinc/12/74/72/1098127472.db2.gz GSSXVWXUQPWABV-UHFFFAOYSA-N -1 0 341.375 2.595 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2ccc(F)cc2F)o1 ZINC001609111258 1098151383 /nfs/dbraw/zinc/15/13/83/1098151383.db2.gz MZAARWDZJXQRDU-UHFFFAOYSA-N -1 0 347.329 2.862 20 30 EFEDRM C=C(C)CCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001609226819 1098212688 /nfs/dbraw/zinc/21/26/88/1098212688.db2.gz XEWQMMIWJQYHGT-CQSZACIVSA-N -1 0 331.416 2.571 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001609248283 1098221647 /nfs/dbraw/zinc/22/16/47/1098221647.db2.gz JSOZENKNPQZZKQ-UHFFFAOYSA-N -1 0 330.388 2.709 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001609267352 1098232466 /nfs/dbraw/zinc/23/24/66/1098232466.db2.gz RTRJXEANOSCPFM-CABCVRRESA-N -1 0 346.210 2.737 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001609290777 1098239213 /nfs/dbraw/zinc/23/92/13/1098239213.db2.gz XFNUUEKHGBDSDZ-MRVPVSSYSA-N -1 0 342.754 2.587 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)[O-] ZINC001609287303 1098239481 /nfs/dbraw/zinc/23/94/81/1098239481.db2.gz LADQISRKQBCJMY-NSHDSACASA-N -1 0 334.357 2.605 20 30 EFEDRM C=CCC1(C(=O)NCc2c(C)nn(CC(=O)[O-])c2C)CCCCC1 ZINC001609320486 1098246696 /nfs/dbraw/zinc/24/66/96/1098246696.db2.gz NYNJSCZFPWGDIM-UHFFFAOYSA-N -1 0 333.432 2.727 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)nn1 ZINC001609345888 1098257950 /nfs/dbraw/zinc/25/79/50/1098257950.db2.gz LXUIGJXJZBADBW-UHFFFAOYSA-N -1 0 346.412 2.673 20 30 EFEDRM CSC1(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCC1 ZINC001609369085 1098269153 /nfs/dbraw/zinc/26/91/53/1098269153.db2.gz KDRROLFBAFZRAC-UHFFFAOYSA-N -1 0 335.437 2.836 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(=O)[O-])on1 ZINC001609371735 1098270023 /nfs/dbraw/zinc/27/00/23/1098270023.db2.gz RVPCUZKPLKOOHA-UHFFFAOYSA-N -1 0 326.761 2.916 20 30 EFEDRM C=CCOCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001609432144 1098314778 /nfs/dbraw/zinc/31/47/78/1098314778.db2.gz HDPCOCDEJDKRCP-UHFFFAOYSA-N -1 0 328.162 2.597 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCc3c2cccc3Cl)o1 ZINC001609446350 1098327551 /nfs/dbraw/zinc/32/75/51/1098327551.db2.gz YVVPQHYHASABKX-UHFFFAOYSA-N -1 0 329.751 2.579 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)cc(Cl)c2)o1 ZINC001609446342 1098327637 /nfs/dbraw/zinc/32/76/37/1098327637.db2.gz YEZJPIMPFLGIJM-UHFFFAOYSA-N -1 0 338.158 2.916 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609461624 1098335869 /nfs/dbraw/zinc/33/58/69/1098335869.db2.gz FVKRLLVEGWDYSK-SFHVURJKSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001609460148 1098335975 /nfs/dbraw/zinc/33/59/75/1098335975.db2.gz GRZLIJMQXGHEGA-UHFFFAOYSA-N -1 0 334.353 2.667 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCCc1ccccc1C(=O)[O-] ZINC001609461916 1098336656 /nfs/dbraw/zinc/33/66/56/1098336656.db2.gz WFCUBMGNLKKPSH-UHFFFAOYSA-N -1 0 327.336 2.744 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001609459985 1098336689 /nfs/dbraw/zinc/33/66/89/1098336689.db2.gz BLVFRQYQZZEYML-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609470223 1098342589 /nfs/dbraw/zinc/34/25/89/1098342589.db2.gz KHRCWJFDANTLFT-SFHVURJKSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001609469896 1098342648 /nfs/dbraw/zinc/34/26/48/1098342648.db2.gz BILTZOMBDSNLKS-UHFFFAOYSA-N -1 0 349.394 2.861 20 30 EFEDRM C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609470236 1098343727 /nfs/dbraw/zinc/34/37/27/1098343727.db2.gz KRRJNPLYVDAYPM-LJQANCHMSA-N -1 0 340.427 2.664 20 30 EFEDRM CC#CCCCC(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001609489117 1098353102 /nfs/dbraw/zinc/35/31/02/1098353102.db2.gz TZGRYBGAVCRTME-UHFFFAOYSA-N -1 0 337.397 2.738 20 30 EFEDRM C/C(=C/CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001609503200 1098364320 /nfs/dbraw/zinc/36/43/20/1098364320.db2.gz GHRHMGJBNJWKAD-VGEAAAHDSA-N -1 0 333.819 2.553 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1cccc(-n2ccnn2)c1 ZINC001609556852 1098379954 /nfs/dbraw/zinc/37/99/54/1098379954.db2.gz MLRPIACTNSUHBV-UHFFFAOYSA-N -1 0 339.330 2.941 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609631435 1098410003 /nfs/dbraw/zinc/41/00/03/1098410003.db2.gz CHUQLNQNOHPXGD-YVEFUNNKSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609631007 1098410262 /nfs/dbraw/zinc/41/02/62/1098410262.db2.gz MEPSZROQZUAJCF-FJJYHAOUSA-N -1 0 345.424 2.733 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)c1cc2ccccc2n1CC#N)C1CCC1 ZINC001609640245 1098411964 /nfs/dbraw/zinc/41/19/64/1098411964.db2.gz BOAINCOJLMVMOX-GFCCVEGCSA-N -1 0 325.368 2.633 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609673915 1098422658 /nfs/dbraw/zinc/42/26/58/1098422658.db2.gz UHSHBRFCHOXFSK-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001609673838 1098422728 /nfs/dbraw/zinc/42/27/28/1098422728.db2.gz MCECYWAZKFSSSY-UHFFFAOYSA-N -1 0 329.400 2.782 20 30 EFEDRM CC(C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(C(=O)[O-])on1 ZINC001609680050 1098425338 /nfs/dbraw/zinc/42/53/38/1098425338.db2.gz KBQMWOSGHKTVRE-UHFFFAOYSA-N -1 0 339.351 2.593 20 30 EFEDRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609695938 1098430375 /nfs/dbraw/zinc/43/03/75/1098430375.db2.gz MCCUUZSTDOWTMS-CABCVRRESA-N -1 0 335.448 2.991 20 30 EFEDRM CC(C)c1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001609719675 1098436022 /nfs/dbraw/zinc/43/60/22/1098436022.db2.gz WCPNNWPDBKTUKI-UHFFFAOYSA-N -1 0 328.412 2.960 20 30 EFEDRM CC(C)c1nc(NC(=O)COc2cccc(C#N)c2)sc1C(=O)[O-] ZINC001609721825 1098437046 /nfs/dbraw/zinc/43/70/46/1098437046.db2.gz OOJAHXOFFOGAMS-UHFFFAOYSA-N -1 0 345.380 2.854 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001609732509 1098441329 /nfs/dbraw/zinc/44/13/29/1098441329.db2.gz AYVYZJQDRDOMON-SKDRFNHKSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609767295 1098450776 /nfs/dbraw/zinc/45/07/76/1098450776.db2.gz BASZDXPOCNCCMD-GFCCVEGCSA-N -1 0 339.351 2.904 20 30 EFEDRM C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ncc(C(=O)[O-])s1 ZINC001609766519 1098451033 /nfs/dbraw/zinc/45/10/33/1098451033.db2.gz YOWSBMQKBTWMMN-KPPDAEKUSA-N -1 0 336.417 2.531 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ncc(C#N)cc1Cl ZINC001609890795 1098485308 /nfs/dbraw/zinc/48/53/08/1098485308.db2.gz IADFXKLDNHBEKO-INIZCTEOSA-N -1 0 335.791 2.712 20 30 EFEDRM CCC1CCC(NC(=O)c2cc(C#N)cc(N(C)C)c2)(C(=O)[O-])CC1 ZINC001609944280 1098501678 /nfs/dbraw/zinc/50/16/78/1098501678.db2.gz VGKFKUUPAKALDB-UHFFFAOYSA-N -1 0 343.427 2.778 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)c(F)c2)NC(=O)N1CC1CC1 ZINC001609946534 1098502519 /nfs/dbraw/zinc/50/25/19/1098502519.db2.gz YULZBALHBSWOMQ-INIZCTEOSA-N -1 0 343.358 2.922 20 30 EFEDRM CCCCCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001609968842 1098509324 /nfs/dbraw/zinc/50/93/24/1098509324.db2.gz PDYFQZWQZJVADT-HNNXBMFYSA-N -1 0 341.429 2.639 20 30 EFEDRM CCN1C(=O)N[C@H](c2ccc(F)c(C#N)c2Cl)C(C(=O)[O-])=C1C ZINC001610005813 1098519915 /nfs/dbraw/zinc/51/99/15/1098519915.db2.gz MORCNHZJXUTURE-CYBMUJFWSA-N -1 0 337.738 2.796 20 30 EFEDRM CCOC(=O)[C@H](CC)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC001610012112 1098521002 /nfs/dbraw/zinc/52/10/02/1098521002.db2.gz GQMXSBSUWQRQMP-INIZCTEOSA-N -1 0 330.384 2.563 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001610010838 1098521450 /nfs/dbraw/zinc/52/14/50/1098521450.db2.gz RYFIZUNYPZWWDC-UHFFFAOYSA-N -1 0 327.340 2.771 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001610017394 1098521873 /nfs/dbraw/zinc/52/18/73/1098521873.db2.gz CDAMUVIKSUGAPA-BQYQJAHWSA-N -1 0 328.320 2.980 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C#N ZINC001610019650 1098522989 /nfs/dbraw/zinc/52/29/89/1098522989.db2.gz RAONMWGJEIUMIE-MNOVXSKESA-N -1 0 345.355 2.566 20 30 EFEDRM CCc1c(C)sc(NC(=O)CCc2ocnc2C(=O)[O-])c1C#N ZINC001610060077 1098533615 /nfs/dbraw/zinc/53/36/15/1098533615.db2.gz NZEQCIPFLONRPA-UHFFFAOYSA-N -1 0 333.369 2.748 20 30 EFEDRM CN(C(=S)Nc1ccccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001610097139 1098546906 /nfs/dbraw/zinc/54/69/06/1098546906.db2.gz MTLOPTSQJFDGPN-UHFFFAOYSA-N -1 0 341.392 2.855 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC001610104676 1098548451 /nfs/dbraw/zinc/54/84/51/1098548451.db2.gz LGNIVKDAYBOVMW-UHFFFAOYSA-N -1 0 330.365 2.741 20 30 EFEDRM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccccc1[S-])CC2 ZINC001269963946 1098551106 /nfs/dbraw/zinc/55/11/06/1098551106.db2.gz OLLROAFRFDAJAU-HNNXBMFYSA-N -1 0 344.480 2.910 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001610120322 1098552366 /nfs/dbraw/zinc/55/23/66/1098552366.db2.gz KVTQKESHOKKKST-UHFFFAOYSA-N -1 0 339.351 2.951 20 30 EFEDRM CN(CCOc1ccc(Cl)cc1)c1ccc(C(=O)[O-])nc1C#N ZINC001610118843 1098552623 /nfs/dbraw/zinc/55/26/23/1098552623.db2.gz ZCUMDJLBYZXSPB-UHFFFAOYSA-N -1 0 331.759 2.820 20 30 EFEDRM CN(Cc1cn2ccccc2c1C#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC001610123815 1098553219 /nfs/dbraw/zinc/55/32/19/1098553219.db2.gz NSYIMNMAPZVNPD-UHFFFAOYSA-N -1 0 349.390 2.906 20 30 EFEDRM COc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001610299381 1098609121 /nfs/dbraw/zinc/60/91/21/1098609121.db2.gz RSBIJANUGMYWRL-UHFFFAOYSA-N -1 0 336.347 2.935 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1C#N ZINC001610299072 1098609150 /nfs/dbraw/zinc/60/91/50/1098609150.db2.gz XUQPVXKHMYESAW-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM COc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001610301163 1098610454 /nfs/dbraw/zinc/61/04/54/1098610454.db2.gz TXICQRCTCCJZDK-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COc1cc(NC(=O)NCc2ccc(C#N)cc2F)ccc1C(=O)[O-] ZINC001610302748 1098612230 /nfs/dbraw/zinc/61/22/30/1098612230.db2.gz SYXUEXHXBZDVFU-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(C#N)cc1CNc1cc2c(cc1C(=O)[O-])OCO2 ZINC001610312294 1098616304 /nfs/dbraw/zinc/61/63/04/1098616304.db2.gz SSCCUYYOULTFEK-UHFFFAOYSA-N -1 0 326.308 2.606 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001610312301 1098616502 /nfs/dbraw/zinc/61/65/02/1098616502.db2.gz UAOSFVYXBUJXTB-UHFFFAOYSA-N -1 0 343.339 2.830 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC001610335145 1098625853 /nfs/dbraw/zinc/62/58/53/1098625853.db2.gz UKEWJWRUJQCTEY-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3c(C)n(C)nc3C(=O)[O-])c2c1 ZINC001610349094 1098630939 /nfs/dbraw/zinc/63/09/39/1098630939.db2.gz OUXKXDMWRMOUEH-ALCCZGGFSA-N -1 0 339.351 2.813 20 30 EFEDRM COc1ccc(OCc2cccc(C(=O)[O-])c2C#N)c([N+](=O)[O-])c1 ZINC001610344775 1098631370 /nfs/dbraw/zinc/63/13/70/1098631370.db2.gz PPOGNGPMWKWUFF-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1ccc2c(c1)C(=NOCc1nc(C(=O)[O-])cs1)CCO2 ZINC001610349850 1098632422 /nfs/dbraw/zinc/63/24/22/1098632422.db2.gz JRUSMEVBZQYDRW-UHFFFAOYSA-N -1 0 334.353 2.553 20 30 EFEDRM COc1cccc(O)c1/C=N/[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001610357457 1098637281 /nfs/dbraw/zinc/63/72/81/1098637281.db2.gz YZGAFAFPGGWSSV-XYHOIZSOSA-N -1 0 338.363 2.997 20 30 EFEDRM COc1nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)ccc1C(=O)[O-] ZINC001610370496 1098644154 /nfs/dbraw/zinc/64/41/54/1098644154.db2.gz NNCURVLFBZZYIP-UHFFFAOYSA-N -1 0 349.350 2.662 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cnccc3C#N)ccc2n1C ZINC001610407986 1098660721 /nfs/dbraw/zinc/66/07/21/1098660721.db2.gz ZASCCYOQVYMUTF-UHFFFAOYSA-N -1 0 335.319 2.671 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001610406976 1098660733 /nfs/dbraw/zinc/66/07/33/1098660733.db2.gz KJPCYTHAZLPRSK-LLVKDONJSA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001610407435 1098661414 /nfs/dbraw/zinc/66/14/14/1098661414.db2.gz YPECUJYWLGWFER-SECBINFHSA-N -1 0 330.369 2.904 20 30 EFEDRM Cc1c2cc(C(=O)/C=C/c3cn(C)cn3)cnc2sc1C(=O)[O-] ZINC001610414339 1098665588 /nfs/dbraw/zinc/66/55/88/1098665588.db2.gz UMSVIJUKBGOMKN-ONEGZZNKSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1cc(CN=Nc2nnc(-c3ccccc3)s2)[nH]c1C(=O)[O-] ZINC001610458737 1098692172 /nfs/dbraw/zinc/69/21/72/1098692172.db2.gz BSWMPMIIMUQLRH-UHFFFAOYSA-N -1 0 327.369 2.986 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001610485811 1098705412 /nfs/dbraw/zinc/70/54/12/1098705412.db2.gz OCNSYZIKWUYADL-LLVKDONJSA-N -1 0 340.335 2.677 20 30 EFEDRM Cc1ccc([C@H](NCC(=O)Nc2cccc(C#N)c2)C(=O)[O-])cc1C ZINC001610494904 1098713439 /nfs/dbraw/zinc/71/34/39/1098713439.db2.gz JGFVTWMYFVGJOJ-SFHVURJKSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610550204 1098745892 /nfs/dbraw/zinc/74/58/92/1098745892.db2.gz FSXYLJRRZJLFAA-SNVBAGLBSA-N -1 0 341.367 2.518 20 30 EFEDRM Cc1nc(NC(=O)c2cccc(CC(=O)[O-])c2)sc1SCC#N ZINC001610557850 1098752750 /nfs/dbraw/zinc/75/27/50/1098752750.db2.gz CJQRJCWMLKYKQQ-UHFFFAOYSA-N -1 0 347.421 2.947 20 30 EFEDRM Cc1ncc(CO)c(C=Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1O ZINC001610562547 1098756196 /nfs/dbraw/zinc/75/61/96/1098756196.db2.gz BYTNOXLNEPGHPV-NSHDSACASA-N -1 0 328.368 2.602 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001610578566 1098764661 /nfs/dbraw/zinc/76/46/61/1098764661.db2.gz SRBAPUSANPFRGT-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1oc(C(C)C)nc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610580740 1098765426 /nfs/dbraw/zinc/76/54/26/1098765426.db2.gz GXHRFXUVCIQPFZ-AWEZNQCLSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610580998 1098765690 /nfs/dbraw/zinc/76/56/90/1098765690.db2.gz XHPVDVWSFKVCDK-GFCCVEGCSA-N -1 0 342.351 2.584 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000780391635 1098769683 /nfs/dbraw/zinc/76/96/83/1098769683.db2.gz CSRKGZQUFKFTIV-UHFFFAOYSA-N -1 0 339.482 2.808 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC001610617705 1098785860 /nfs/dbraw/zinc/78/58/60/1098785860.db2.gz KRPHNXUAUWVALS-UHFFFAOYSA-N -1 0 332.747 2.585 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC001610618732 1098786055 /nfs/dbraw/zinc/78/60/55/1098786055.db2.gz IXMJOZDIULHJPJ-AWEZNQCLSA-N -1 0 333.432 2.889 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCC2CC(c3ccccc3)C2)CC1 ZINC001610617719 1098786560 /nfs/dbraw/zinc/78/65/60/1098786560.db2.gz LKMISLYZGYSWKV-UHFFFAOYSA-N -1 0 341.411 2.580 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610621695 1098787423 /nfs/dbraw/zinc/78/74/23/1098787423.db2.gz QOWVBWFOFXNPGJ-UHFFFAOYSA-N -1 0 339.351 2.644 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)C1 ZINC001610622799 1098787449 /nfs/dbraw/zinc/78/74/49/1098787449.db2.gz BOJONLXGQMGKJF-DCAQKATOSA-N -1 0 348.428 2.536 20 30 EFEDRM N#CCC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001610621254 1098787753 /nfs/dbraw/zinc/78/77/53/1098787753.db2.gz CUJFABXCBWRPJR-INIZCTEOSA-N -1 0 344.392 2.708 20 30 EFEDRM N#C[C@@]1(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC12CCCC2 ZINC001610620208 1098788149 /nfs/dbraw/zinc/78/81/49/1098788149.db2.gz YVPUVLXPRGZNDE-MRXNPFEDSA-N -1 0 330.296 2.672 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001610621515 1098788181 /nfs/dbraw/zinc/78/81/81/1098788181.db2.gz KQCZVCRONOMQAJ-UHFFFAOYSA-N -1 0 346.387 2.673 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2ccsc2C(=O)[O-])CCCCC1 ZINC001610619846 1098788358 /nfs/dbraw/zinc/78/83/58/1098788358.db2.gz SOLRBGILWYWABQ-UHFFFAOYSA-N -1 0 329.399 2.629 20 30 EFEDRM N#CCc1ccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001610624489 1098788828 /nfs/dbraw/zinc/78/88/28/1098788828.db2.gz QLIIKAURPVMBFF-QGZVFWFLSA-N -1 0 326.327 2.744 20 30 EFEDRM N#Cc1c(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cccc1C(=O)[O-] ZINC001610624421 1098789517 /nfs/dbraw/zinc/78/95/17/1098789517.db2.gz SSYKBZJOPQRQNL-UHFFFAOYSA-N -1 0 349.302 2.528 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001610623561 1098789959 /nfs/dbraw/zinc/78/99/59/1098789959.db2.gz SYTBYMJETFPHBK-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1c(CON=C(N)c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001610625388 1098790701 /nfs/dbraw/zinc/79/07/01/1098790701.db2.gz SSFBGPGKGKBYHL-UHFFFAOYSA-N -1 0 329.743 2.747 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(=O)c3ccccc3o2)cccc1C(=O)[O-] ZINC001610625365 1098790795 /nfs/dbraw/zinc/79/07/95/1098790795.db2.gz SMFANHQGEFHTAO-UHFFFAOYSA-N -1 0 349.298 2.720 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N(CCc1ccccc1)CC(=O)[O-] ZINC001610626387 1098790926 /nfs/dbraw/zinc/79/09/26/1098790926.db2.gz RSZQONUZOKSROE-UHFFFAOYSA-N -1 0 325.324 2.600 20 30 EFEDRM N#Cc1c(COc2ccc3c(c2)OCCCO3)cccc1C(=O)[O-] ZINC001610625361 1098790955 /nfs/dbraw/zinc/79/09/55/1098790955.db2.gz SEBDUOGCRUVQFK-UHFFFAOYSA-N -1 0 325.320 2.997 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1F ZINC001610625008 1098791052 /nfs/dbraw/zinc/79/10/52/1098791052.db2.gz GSIHDMSTKLMMGT-CQSZACIVSA-N -1 0 334.253 2.531 20 30 EFEDRM N#Cc1cc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])ncn1 ZINC001610626156 1098791394 /nfs/dbraw/zinc/79/13/94/1098791394.db2.gz MCPCCUOKOVEXHZ-OAHLLOKOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)c[nH]1 ZINC001610625665 1098791454 /nfs/dbraw/zinc/79/14/54/1098791454.db2.gz VYNIXQNEFGTAAK-KRWDZBQOSA-N -1 0 333.347 2.985 20 30 EFEDRM N#Cc1cc(C(=O)OCc2occc2C(=O)[O-])cnc1C(F)(F)F ZINC001610625846 1098791537 /nfs/dbraw/zinc/79/15/37/1098791537.db2.gz FFOLRSOINCZKAJ-UHFFFAOYSA-N -1 0 340.213 2.620 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC001610626853 1098792453 /nfs/dbraw/zinc/79/24/53/1098792453.db2.gz YKDSRRLQEDGZDM-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC001610627578 1098792483 /nfs/dbraw/zinc/79/24/83/1098792483.db2.gz LVUZSRHEUROWKD-SFHVURJKSA-N -1 0 348.358 2.611 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001610626723 1098792530 /nfs/dbraw/zinc/79/25/30/1098792530.db2.gz QMGMBIIBDYAMEX-HNNXBMFYSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)cnc1C(F)(F)F ZINC001610626558 1098792734 /nfs/dbraw/zinc/79/27/34/1098792734.db2.gz WAAGOZUULFHZIV-UHFFFAOYSA-N -1 0 336.225 2.889 20 30 EFEDRM N#Cc1ccc(OCc2nnc(-c3ccc(C(=O)[O-])s3)o2)cc1 ZINC001610629998 1098794007 /nfs/dbraw/zinc/79/40/07/1098794007.db2.gz JLVYGJDMJRNWNM-UHFFFAOYSA-N -1 0 327.321 2.947 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC001610632682 1098795366 /nfs/dbraw/zinc/79/53/66/1098795366.db2.gz ZZGYMFYQZBTGIV-MRXNPFEDSA-N -1 0 349.264 2.887 20 30 EFEDRM N#Cc1ccccc1OCC(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001610632554 1098795865 /nfs/dbraw/zinc/79/58/65/1098795865.db2.gz AXOSHDAOKLPGJU-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCC(=O)c2cccs2)C(=O)[O-])c1 ZINC001610632308 1098795932 /nfs/dbraw/zinc/79/59/32/1098795932.db2.gz VBPSDRICXJFGQV-INIZCTEOSA-N -1 0 343.360 2.952 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001610632504 1098795939 /nfs/dbraw/zinc/79/59/39/1098795939.db2.gz XRJCCNMCDKSIKG-INIZCTEOSA-N -1 0 326.327 2.572 20 30 EFEDRM N#Cc1ncccc1OCc1c(Br)cccc1C(=O)[O-] ZINC001610633935 1098796791 /nfs/dbraw/zinc/79/67/91/1098796791.db2.gz FKCPDWCFDVRDCQ-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1cnc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(F)c1 ZINC001610634014 1098797001 /nfs/dbraw/zinc/79/70/01/1098797001.db2.gz ZIJXWLQUGAVJRN-QWHCGFSZSA-N -1 0 347.296 2.675 20 30 EFEDRM N#Cc1ccncc1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001610633686 1098797044 /nfs/dbraw/zinc/79/70/44/1098797044.db2.gz VMLPHIZJZZZQND-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM NC(=NOCc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001610635591 1098797258 /nfs/dbraw/zinc/79/72/58/1098797258.db2.gz BKSRWEPHSYWGNJ-UHFFFAOYSA-N -1 0 349.184 2.984 20 30 EFEDRM N#Cc1csc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001610634108 1098797300 /nfs/dbraw/zinc/79/73/00/1098797300.db2.gz KNQLTZMUESAFPX-CQSZACIVSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610633633 1098797500 /nfs/dbraw/zinc/79/75/00/1098797500.db2.gz NTDNBDCUVXWWFV-UHFFFAOYSA-N -1 0 340.770 2.955 20 30 EFEDRM N#Cc1cnc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cn1 ZINC001610633982 1098797601 /nfs/dbraw/zinc/79/76/01/1098797601.db2.gz YCVANZOEAGEOCN-MRXNPFEDSA-N -1 0 332.363 2.857 20 30 EFEDRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001610651160 1098802122 /nfs/dbraw/zinc/80/21/22/1098802122.db2.gz NJMLUGZFNBGPEL-NRFANRHFSA-N -1 0 333.387 2.683 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC001610806394 1098900752 /nfs/dbraw/zinc/90/07/52/1098900752.db2.gz NPUDCGCMBCERNL-UHFFFAOYSA-N -1 0 325.303 2.755 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2ncncc2F)c(Br)c1 ZINC001610824383 1098914217 /nfs/dbraw/zinc/91/42/17/1098914217.db2.gz VTEHKQOUMCMAJT-UHFFFAOYSA-N -1 0 339.124 2.522 20 30 EFEDRM O=C([O-])c1ccc(CON=Cc2cnn(-c3ccccc3)n2)c(F)c1 ZINC001610829462 1098920839 /nfs/dbraw/zinc/92/08/39/1098920839.db2.gz YUYKPQKEGGIURW-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c1 ZINC001610869740 1098946816 /nfs/dbraw/zinc/94/68/16/1098946816.db2.gz AOSNHWINFRDERL-ONEGZZNKSA-N -1 0 329.381 2.733 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001611459997 1099014344 /nfs/dbraw/zinc/01/43/44/1099014344.db2.gz DXVOXJMPHLZYBN-LBPRGKRZSA-N -1 0 348.362 2.735 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000839029035 1099222269 /nfs/dbraw/zinc/22/22/69/1099222269.db2.gz BYXFIEXDAPUPPK-UHFFFAOYSA-N -1 0 341.738 2.637 20 30 EFEDRM Cc1nc(N[C@H](CNC(=O)c2ccccc2O)C(C)C)ccc1C#N ZINC001105133306 1099777224 /nfs/dbraw/zinc/77/72/24/1099777224.db2.gz AFXCZDIGXZPCOL-MRXNPFEDSA-N -1 0 338.411 2.834 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1[O-] ZINC000785404714 1100046269 /nfs/dbraw/zinc/04/62/69/1100046269.db2.gz XECZYLVCMRSVEI-UHFFFAOYSA-N -1 0 336.376 2.991 20 30 EFEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000042234292 1100078113 /nfs/dbraw/zinc/07/81/13/1100078113.db2.gz YZNYOUHKIGZHRB-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CC(N=Nc1nccn(C)c1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000748081281 1101465907 /nfs/dbraw/zinc/46/59/07/1101465907.db2.gz VZOFTSXWFPLIHO-UHFFFAOYSA-N -1 0 327.171 2.629 20 30 EFEDRM O=S(=O)([N-]c1nccs1)c1ccc(NN=Cc2cc[nH]c2)cc1 ZINC000748081986 1101488597 /nfs/dbraw/zinc/48/85/97/1101488597.db2.gz WGOSKGUNZNBGAX-UHFFFAOYSA-N -1 0 347.425 2.718 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748131317 1102671469 /nfs/dbraw/zinc/67/14/69/1102671469.db2.gz KDWQDTRQURJMJZ-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)NC(=O)CO2 ZINC000748149006 1102853931 /nfs/dbraw/zinc/85/39/31/1102853931.db2.gz XUMBVQLSMAGNAK-DJWKRKHSSA-N -1 0 340.291 2.527 20 30 EFEDRM CCOCc1nc(C)cc(N=NC(C)c2cccc(C(=O)[O-])c2)n1 ZINC000905501585 1103245574 /nfs/dbraw/zinc/24/55/74/1103245574.db2.gz OYXUKUGUDFQYPQ-UHFFFAOYSA-N -1 0 328.372 2.856 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1sccc1C#N)C1CCCCC1 ZINC000906067412 1103876700 /nfs/dbraw/zinc/87/67/00/1103876700.db2.gz ADZPBTXOCPACJZ-CYBMUJFWSA-N -1 0 328.459 2.957 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000906071778 1103882967 /nfs/dbraw/zinc/88/29/67/1103882967.db2.gz FGOSINMPWWUUFY-UHFFFAOYSA-N -1 0 328.459 2.667 20 30 EFEDRM CC[C@@H](CS(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2)OC ZINC000906071516 1103883197 /nfs/dbraw/zinc/88/31/97/1103883197.db2.gz HRMLZUHKOJNOTI-JTQLQIEISA-N -1 0 328.459 2.665 20 30 EFEDRM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)cc1[O-])CC2 ZINC001272268107 1103891255 /nfs/dbraw/zinc/89/12/55/1103891255.db2.gz FGPWAGGIUIVDFX-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM CO[C@@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000906073929 1103904952 /nfs/dbraw/zinc/90/49/52/1103904952.db2.gz RTAUJSQAMTXOEW-ZJUUUORDSA-N -1 0 328.459 2.521 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000906075193 1103905427 /nfs/dbraw/zinc/90/54/27/1103905427.db2.gz ZGBITTYLEKWBPR-UHFFFAOYSA-N -1 0 339.467 2.928 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](OC)C2 ZINC000906075233 1103906437 /nfs/dbraw/zinc/90/64/37/1103906437.db2.gz KRDGXHRYZBRHPD-NSHDSACASA-N -1 0 340.470 2.831 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc(F)cc3[O-])CC2)C1=O ZINC001272268915 1104072316 /nfs/dbraw/zinc/07/23/16/1104072316.db2.gz RGRZJMIEPZTYQP-IBGZPJMESA-N -1 0 346.402 2.562 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(Br)cn1C(C)C ZINC000092463405 1106850493 /nfs/dbraw/zinc/85/04/93/1106850493.db2.gz VZWRHKRDSBCRJQ-UHFFFAOYSA-N -1 0 329.194 2.544 20 30 EFEDRM CCOCCC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000083766050 1106891116 /nfs/dbraw/zinc/89/11/16/1106891116.db2.gz ZAQXICJUGZMTGP-UHFFFAOYSA-N -1 0 342.236 2.582 20 30 EFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)nn1C ZINC000080252307 1107054907 /nfs/dbraw/zinc/05/49/07/1107054907.db2.gz IKORMWHYIMTJHE-UHFFFAOYSA-N -1 0 341.820 2.890 20 30 EFEDRM C=C(C)COc1cc(CNCc2cc(C(=O)[O-])no2)ccc1OC ZINC000904054190 1107555295 /nfs/dbraw/zinc/55/52/95/1107555295.db2.gz ORVFADCXWMSZEV-UHFFFAOYSA-N -1 0 332.356 2.626 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc(Cl)c([O-])c2)C1=O ZINC001272218853 1107945851 /nfs/dbraw/zinc/94/58/51/1107945851.db2.gz IOZXYYZABUJANK-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cccc([S-])c1)CC2 ZINC001272380593 1108133298 /nfs/dbraw/zinc/13/32/98/1108133298.db2.gz XBKUUAAWRCLGBE-MRXNPFEDSA-N -1 0 344.480 2.910 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(Cl)c(N(C)C)c1)C(=O)[O-] ZINC000905053004 1108350682 /nfs/dbraw/zinc/35/06/82/1108350682.db2.gz UIRWAFUBAYXCEH-LBPRGKRZSA-N -1 0 325.796 2.947 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(Cl)c(N(C)C)c1)C(=O)[O-] ZINC000905053002 1108351773 /nfs/dbraw/zinc/35/17/73/1108351773.db2.gz UIRWAFUBAYXCEH-GFCCVEGCSA-N -1 0 325.796 2.947 20 30 EFEDRM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1ccc(O)cc1[O-] ZINC000905072410 1108395043 /nfs/dbraw/zinc/39/50/43/1108395043.db2.gz DUKXRMCHMFGDLV-FPYGCLRLSA-N -1 0 339.391 2.955 20 30 EFEDRM Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)c1C ZINC000176394117 1108445382 /nfs/dbraw/zinc/44/53/82/1108445382.db2.gz MXKQWCLVIQGKJX-HNNXBMFYSA-N -1 0 349.390 2.872 20 30 EFEDRM Cc1cccc(N2C[C@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)c1C ZINC000176394099 1108445531 /nfs/dbraw/zinc/44/55/31/1108445531.db2.gz MXKQWCLVIQGKJX-OAHLLOKOSA-N -1 0 349.390 2.872 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 ZINC000176408767 1108459873 /nfs/dbraw/zinc/45/98/73/1108459873.db2.gz XYCFRHDBLGQWEH-UHFFFAOYSA-N -1 0 336.376 2.991 20 30 EFEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])nn1C)CO2 ZINC000899348878 1109295854 /nfs/dbraw/zinc/29/58/54/1109295854.db2.gz NUPIVFPWGPYGLE-YRNVUSSQSA-N -1 0 342.351 2.566 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c1)C(=O)[O-] ZINC000899350634 1109296466 /nfs/dbraw/zinc/29/64/66/1109296466.db2.gz KCYHTGOPZOLOLM-ZWLSGLHFSA-N -1 0 340.379 2.657 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000042232346 1109344284 /nfs/dbraw/zinc/34/42/84/1109344284.db2.gz GAIUTFXSAPSLOA-ZDUSSCGKSA-N -1 0 346.408 2.540 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000842322980 1109447187 /nfs/dbraw/zinc/44/71/87/1109447187.db2.gz FFUSCMCEDZLZGD-MJBXVCDLSA-N -1 0 327.771 2.769 20 30 EFEDRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)C1(C)C ZINC000042325163 1109645037 /nfs/dbraw/zinc/64/50/37/1109645037.db2.gz AZTPMIMSEHAPHR-QWHCGFSZSA-N -1 0 339.461 2.921 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000916760526 1111980745 /nfs/dbraw/zinc/98/07/45/1111980745.db2.gz PQIVUVTXEDBZRJ-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)s1 ZINC000916872535 1111992566 /nfs/dbraw/zinc/99/25/66/1111992566.db2.gz JTEYTXOSWFXODG-SNVBAGLBSA-N -1 0 328.821 2.655 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916870873 1111993477 /nfs/dbraw/zinc/99/34/77/1111993477.db2.gz ONCMYWBGSBSHAW-LJQANCHMSA-N -1 0 348.402 2.733 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000916870805 1111993526 /nfs/dbraw/zinc/99/35/26/1111993526.db2.gz NZEWXCKCYMHSIN-GFCCVEGCSA-N -1 0 334.372 2.516 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(OC)c1)O[C@H](C)C2 ZINC000916877284 1111993873 /nfs/dbraw/zinc/99/38/73/1111993873.db2.gz PUHFAOZXCPATHJ-DOMZBBRYSA-N -1 0 344.411 2.647 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000916922371 1111997990 /nfs/dbraw/zinc/99/79/90/1111997990.db2.gz XCBHERPTSBJSNK-RHSMWYFYSA-N -1 0 349.390 2.846 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)c(OC)c1 ZINC000916921554 1111998147 /nfs/dbraw/zinc/99/81/47/1111998147.db2.gz VAGITZJCLPARSN-HNNXBMFYSA-N -1 0 342.395 2.641 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C#N)CCCCC2)n1 ZINC000920673774 1112344055 /nfs/dbraw/zinc/34/40/55/1112344055.db2.gz WYJSKLGNGGUDQL-GFCCVEGCSA-N -1 0 331.397 2.645 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069617944 1117951433 /nfs/dbraw/zinc/95/14/33/1117951433.db2.gz MAFNDALKMREELG-QMMMGPOBSA-N -1 0 336.207 2.519 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(Br)cc1C ZINC000131217096 1120617297 /nfs/dbraw/zinc/61/72/97/1120617297.db2.gz DWCZWGPOFLHMIS-LBPRGKRZSA-N -1 0 335.201 2.691 20 30 EFEDRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000052557338 214134012 /nfs/dbraw/zinc/13/40/12/214134012.db2.gz PSTPFMRECMCYDQ-LBPRGKRZSA-N -1 0 337.383 2.991 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2Br)C(=O)O1 ZINC000003543742 210050193 /nfs/dbraw/zinc/05/01/93/210050193.db2.gz DMSPCRKFINVEPC-PSKZRQQASA-N -1 0 335.153 2.677 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(Cl)cc2c1C ZINC000103502840 219307921 /nfs/dbraw/zinc/30/79/21/219307921.db2.gz PCJZGGJNYMRGGK-ZDUSSCGKSA-N -1 0 348.786 2.870 20 30 EFEDRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282146 215374806 /nfs/dbraw/zinc/37/48/06/215374806.db2.gz KVNBDFCMTPDCBH-ZYHUDNBSSA-N -1 0 347.820 2.569 20 30 EFEDRM CCn1nc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000187002580 236092288 /nfs/dbraw/zinc/09/22/88/236092288.db2.gz OABFILWENCACRC-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000262520170 240358336 /nfs/dbraw/zinc/35/83/36/240358336.db2.gz DVGICFFADHAOFT-CHWSQXEVSA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000262775233 240367325 /nfs/dbraw/zinc/36/73/25/240367325.db2.gz AQAWCBMTIGVUFH-CYBMUJFWSA-N -1 0 325.792 2.817 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000160954109 239058499 /nfs/dbraw/zinc/05/84/99/239058499.db2.gz FVBFGOIMJRKHGC-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cn1 ZINC000164935157 239119223 /nfs/dbraw/zinc/11/92/23/239119223.db2.gz UAHGPBDCAUUNRV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc12 ZINC000185578685 239606882 /nfs/dbraw/zinc/60/68/82/239606882.db2.gz ACPXOCJOGCJMQF-UHFFFAOYSA-N -1 0 342.380 2.652 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccnc1 ZINC000185155494 239596102 /nfs/dbraw/zinc/59/61/02/239596102.db2.gz ULOHHJLYOSHBHB-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000194719915 240174065 /nfs/dbraw/zinc/17/40/65/240174065.db2.gz NLGAEYWQSFWZOC-CYBMUJFWSA-N -1 0 343.408 2.519 20 30 EFEDRM C=CCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000238105187 240250012 /nfs/dbraw/zinc/25/00/12/240250012.db2.gz AKKLVFZYUFZMQW-UHFFFAOYSA-N -1 0 330.384 2.528 20 30 EFEDRM C=C(C)[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000195459053 240225535 /nfs/dbraw/zinc/22/55/35/240225535.db2.gz DFXFOJXXIBIFCB-LLVKDONJSA-N -1 0 344.305 2.568 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000224402095 240232692 /nfs/dbraw/zinc/23/26/92/240232692.db2.gz AYARBDJUPMVGIW-QMMMGPOBSA-N -1 0 335.198 2.941 20 30 EFEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000193612790 240233724 /nfs/dbraw/zinc/23/37/24/240233724.db2.gz DTDKXLVBIDVTGE-DHZHZOJOSA-N -1 0 325.368 2.918 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC000262065145 240342218 /nfs/dbraw/zinc/34/22/18/240342218.db2.gz HSHWVMADXNLCFO-GOSISDBHSA-N -1 0 336.391 2.734 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@](C)(CCC)C(=O)[O-])c(OC)c1 ZINC000262227094 240344945 /nfs/dbraw/zinc/34/49/45/240344945.db2.gz NTNMPSXPJLCRMC-SFHVURJKSA-N -1 0 335.400 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000262880671 240372188 /nfs/dbraw/zinc/37/21/88/240372188.db2.gz KODMVNNTGZIQQW-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c(OC)c1 ZINC000262851100 240372536 /nfs/dbraw/zinc/37/25/36/240372536.db2.gz DPGROPFFJLVLMB-IBGZPJMESA-N -1 0 349.427 2.808 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000262996662 240374243 /nfs/dbraw/zinc/37/42/43/240374243.db2.gz LYNPBBROJGTVSI-ULQDDVLXSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000262996659 240374930 /nfs/dbraw/zinc/37/49/30/240374930.db2.gz LYNPBBROJGTVSI-BBWFWOEESA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000262940792 240374951 /nfs/dbraw/zinc/37/49/51/240374951.db2.gz PWHCECJCBZAQKB-CQSZACIVSA-N -1 0 328.368 2.810 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC000262970814 240375412 /nfs/dbraw/zinc/37/54/12/240375412.db2.gz JXEZOHZLPMKLIG-RHSMWYFYSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(c2ccccc2C)CCOCC1)C(=O)[O-] ZINC000262969914 240375435 /nfs/dbraw/zinc/37/54/35/240375435.db2.gz SMHMKXGTUXPHCJ-MRXNPFEDSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000263006884 240376194 /nfs/dbraw/zinc/37/61/94/240376194.db2.gz MULGUVOMBLKCEU-OAHLLOKOSA-N -1 0 337.441 2.558 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000263036659 240376727 /nfs/dbraw/zinc/37/67/27/240376727.db2.gz ZIVJEWCFCNDSCS-MRXNPFEDSA-N -1 0 329.396 2.674 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000263009183 240377008 /nfs/dbraw/zinc/37/70/08/240377008.db2.gz XADRHNXGYDRLBC-HNNXBMFYSA-N -1 0 339.395 2.899 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(=O)[O-] ZINC000263010410 240377261 /nfs/dbraw/zinc/37/72/61/240377261.db2.gz XDMQXROZXWNGEE-ZDUSSCGKSA-N -1 0 331.347 2.535 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000263074600 240377499 /nfs/dbraw/zinc/37/74/99/240377499.db2.gz RQIHSOMIKNOPPJ-CYBMUJFWSA-N -1 0 337.441 2.722 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000263109751 240378387 /nfs/dbraw/zinc/37/83/87/240378387.db2.gz URLPRIVGHYZODY-CMPLNLGQSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(Br)cc1OC)C(=O)[O-] ZINC000263039324 240378475 /nfs/dbraw/zinc/37/84/75/240378475.db2.gz ZNVZORZWZJEVEG-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000263111324 240379168 /nfs/dbraw/zinc/37/91/68/240379168.db2.gz URLPRIVGHYZODY-PWSUYJOCSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263155816 240380562 /nfs/dbraw/zinc/38/05/62/240380562.db2.gz XRODWIAFBHLDFR-OAHLLOKOSA-N -1 0 343.379 2.949 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263464956 240385025 /nfs/dbraw/zinc/38/50/25/240385025.db2.gz FWMLGVJGTAICSU-VXGBXAGGSA-N -1 0 333.413 2.877 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000261723821 240319418 /nfs/dbraw/zinc/31/94/18/240319418.db2.gz RBMQHSONUQUYPP-HNNXBMFYSA-N -1 0 343.301 2.731 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2=O)cc1 ZINC000277533120 240782656 /nfs/dbraw/zinc/78/26/56/240782656.db2.gz MTEIYKWDUXAFIE-INIZCTEOSA-N -1 0 338.411 2.628 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000276173119 240762605 /nfs/dbraw/zinc/76/26/05/240762605.db2.gz RLZACOPLFNJZEY-RAIGVLPGSA-N -1 0 334.397 2.509 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000310896787 241203893 /nfs/dbraw/zinc/20/38/93/241203893.db2.gz MAVCURWDDLWVMJ-QMMMGPOBSA-N -1 0 335.198 2.941 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCO[C@H]3CCC[C@H]32)s[n-]1 ZINC000328988726 241283461 /nfs/dbraw/zinc/28/34/61/241283461.db2.gz UVEKZGSRZXDHKB-ZJUUUORDSA-N -1 0 328.463 2.839 20 30 EFEDRM O=C(CC/N=C(/[O-])Cc1cn2ccsc2n1)N1CCCCCC1 ZINC000329096457 241303038 /nfs/dbraw/zinc/30/30/38/241303038.db2.gz BTSWLHIUNWCCNQ-UHFFFAOYSA-N -1 0 334.445 2.688 20 30 EFEDRM C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329642929 241411294 /nfs/dbraw/zinc/41/12/94/241411294.db2.gz ISQLITLZXBTMJG-QPPOZKHWSA-N -1 0 335.452 2.613 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350655105 241887619 /nfs/dbraw/zinc/88/76/19/241887619.db2.gz WSRKJFQNZQMZKY-LLVKDONJSA-N -1 0 348.428 2.554 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000351833679 241911197 /nfs/dbraw/zinc/91/11/97/241911197.db2.gz JUFDCYFZZZIJFT-LLVKDONJSA-N -1 0 349.437 2.581 20 30 EFEDRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355826722 242047983 /nfs/dbraw/zinc/04/79/83/242047983.db2.gz CXYGTSJJAYDZFK-GFCCVEGCSA-N -1 0 330.413 2.721 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356021226 242057976 /nfs/dbraw/zinc/05/79/76/242057976.db2.gz IIKHFIKBRRDFMW-OAHLLOKOSA-N -1 0 347.378 2.888 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2OCC)n1 ZINC000354938556 242017102 /nfs/dbraw/zinc/01/71/02/242017102.db2.gz DFQDHVVCNUQBJN-NSHDSACASA-N -1 0 345.380 2.604 20 30 EFEDRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000358566172 242124886 /nfs/dbraw/zinc/12/48/86/242124886.db2.gz NFCWIDNZLPTXQQ-UHFFFAOYSA-N -1 0 330.413 2.574 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)n[n-]c1=Nc1cnn(C)c1 ZINC000359113166 242143055 /nfs/dbraw/zinc/14/30/55/242143055.db2.gz FGYUFYWJOJZGGG-HUUCEWRRSA-N -1 0 344.463 2.672 20 30 EFEDRM C=CCSCCNC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000357357755 242095314 /nfs/dbraw/zinc/09/53/14/242095314.db2.gz ODYLPPRLGCTMQT-UHFFFAOYSA-N -1 0 331.441 2.789 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1cnc2ccccc2n1 ZINC000361522477 242225436 /nfs/dbraw/zinc/22/54/36/242225436.db2.gz AQPWYMSSLWAUDM-AWEZNQCLSA-N -1 0 340.346 2.701 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C#N ZINC000361675325 242229400 /nfs/dbraw/zinc/22/94/00/242229400.db2.gz LMMKHQLKJKQGNS-SECBINFHSA-N -1 0 340.293 2.527 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000362582118 242260754 /nfs/dbraw/zinc/26/07/54/242260754.db2.gz VAJHGQQQBVOMRG-UHFFFAOYSA-N -1 0 345.351 2.790 20 30 EFEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1cc(C(F)(F)F)ccn1 ZINC000362132532 242245954 /nfs/dbraw/zinc/24/59/54/242245954.db2.gz BIGZNXUHAPIHCC-VIFPVBQESA-N -1 0 339.298 2.751 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC ZINC000366937126 242369652 /nfs/dbraw/zinc/36/96/52/242369652.db2.gz RMRPMOBUZVXGPH-LIRRHRJNSA-N -1 0 345.395 2.587 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)C(C)(C)Cc2ccc(C#N)cc2)s[n-]1 ZINC000410835009 242658830 /nfs/dbraw/zinc/65/88/30/242658830.db2.gz MHAVHAKXSVMTPX-LLVKDONJSA-N -1 0 344.440 2.746 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)CC#N ZINC000414348187 244100973 /nfs/dbraw/zinc/10/09/73/244100973.db2.gz INZWOSWIBGBCJZ-UHFFFAOYSA-N -1 0 344.820 2.565 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(C)nc1C ZINC000414459096 244172885 /nfs/dbraw/zinc/17/28/85/244172885.db2.gz NXQGFTIFCFUWJC-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000414451854 244168530 /nfs/dbraw/zinc/16/85/30/244168530.db2.gz JLWJCYSXILARJY-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc2sc(C)nc2cc1OC ZINC000416939124 244923610 /nfs/dbraw/zinc/92/36/10/244923610.db2.gz MINKGJFZCNNLDH-SECBINFHSA-N -1 0 325.415 2.657 20 30 EFEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])[C@H](C)CC)cc(OC)c1OC ZINC000262770063 245169619 /nfs/dbraw/zinc/16/96/19/245169619.db2.gz LXTDWZFHBIIBLU-GFCCVEGCSA-N -1 0 335.400 2.758 20 30 EFEDRM C=CCSCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262766873 245166270 /nfs/dbraw/zinc/16/62/70/245166270.db2.gz KWYBQFQKQHKFCN-NSHDSACASA-N -1 0 325.455 2.901 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc1OC ZINC000262901067 245240408 /nfs/dbraw/zinc/24/04/08/245240408.db2.gz ICFDTCVYZZWYDY-SFHVURJKSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc(OC)c1OC ZINC000263036777 245305953 /nfs/dbraw/zinc/30/59/53/245305953.db2.gz VJGRLIDMFWLTHC-CQSZACIVSA-N -1 0 333.384 2.512 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000263287269 245382556 /nfs/dbraw/zinc/38/25/56/245382556.db2.gz PZDDKVMSSZDGDF-TZMCWYRMSA-N -1 0 335.400 2.938 20 30 EFEDRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000080540527 217313007 /nfs/dbraw/zinc/31/30/07/217313007.db2.gz NRGPDBQDUAIPQM-UHFFFAOYSA-N -1 0 338.411 2.520 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000421808587 246124534 /nfs/dbraw/zinc/12/45/34/246124534.db2.gz SCRVVFDZKATHBA-UTUOFQBUSA-N -1 0 336.413 2.755 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000014097675 211682513 /nfs/dbraw/zinc/68/25/13/211682513.db2.gz JEQRCQYEUHJPRW-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)(CCNC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC000424384376 246742287 /nfs/dbraw/zinc/74/22/87/246742287.db2.gz RITTZORQSJUCOT-UHFFFAOYSA-N -1 0 341.314 2.782 20 30 EFEDRM C=CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCOCC1 ZINC000425243768 247013468 /nfs/dbraw/zinc/01/34/68/247013468.db2.gz QRZRKYXFAGZTGD-DLBZAZTESA-N -1 0 343.423 2.686 20 30 EFEDRM N#CC1(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)CCCC1 ZINC000425257068 247018926 /nfs/dbraw/zinc/01/89/26/247018926.db2.gz POTALLXUDOJQJB-UONOGXRCSA-N -1 0 348.349 2.675 20 30 EFEDRM C=CCCn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1 ZINC000425314162 247038510 /nfs/dbraw/zinc/03/85/10/247038510.db2.gz CAUWOCDIRDATTE-NSHDSACASA-N -1 0 335.289 2.758 20 30 EFEDRM N#CC[C@@H](CC(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccccc1 ZINC000425319878 247040000 /nfs/dbraw/zinc/04/00/00/247040000.db2.gz KHBPNMIZPVGRAH-HNNXBMFYSA-N -1 0 340.383 2.569 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c2n[nH]cc21 ZINC000427204143 247329167 /nfs/dbraw/zinc/32/91/67/247329167.db2.gz MCHAOKUARLEXLT-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1F ZINC000427281867 247332785 /nfs/dbraw/zinc/33/27/85/247332785.db2.gz QVCDYCZUDIKVHX-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cncc(C#N)c2)cccc1-c1ncco1 ZINC000427306100 247336665 /nfs/dbraw/zinc/33/66/65/247336665.db2.gz APWDIUHVSHBWHV-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)n2)c1 ZINC000427395030 247346404 /nfs/dbraw/zinc/34/64/04/247346404.db2.gz MWVWPOLMNYQUPJ-AWEZNQCLSA-N -1 0 330.363 2.694 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)ccc1C#N ZINC000427638728 247375557 /nfs/dbraw/zinc/37/55/57/247375557.db2.gz MOKQXSUUCDIDGW-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013344105 211548400 /nfs/dbraw/zinc/54/84/00/211548400.db2.gz QGPPQQDXROSFDC-XCVCLJGOSA-N -1 0 327.292 2.954 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000433153635 248022777 /nfs/dbraw/zinc/02/27/77/248022777.db2.gz WYOAPTKLVGWZJY-UHFFFAOYSA-N -1 0 347.419 2.703 20 30 EFEDRM CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435340585 248226931 /nfs/dbraw/zinc/22/69/31/248226931.db2.gz KDRFPOSBFJISER-FLIBITNWSA-N -1 0 325.368 2.918 20 30 EFEDRM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435499958 248245807 /nfs/dbraw/zinc/24/58/07/248245807.db2.gz DNMTZRNWVRPDCB-UHFFFAOYSA-N -1 0 349.437 2.559 20 30 EFEDRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435478506 248245913 /nfs/dbraw/zinc/24/59/13/248245913.db2.gz UQDMNIAMOUYJBY-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435502314 248245918 /nfs/dbraw/zinc/24/59/18/248245918.db2.gz QNOLZYTUFGSMIF-UHFFFAOYSA-N -1 0 332.410 2.724 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)s1 ZINC000435489272 248246188 /nfs/dbraw/zinc/24/61/88/248246188.db2.gz JMTNMNYPPOMIKF-UHFFFAOYSA-N -1 0 347.421 2.769 20 30 EFEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000266606753 248381090 /nfs/dbraw/zinc/38/10/90/248381090.db2.gz QMKRXODESHPHAR-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436958268 249638756 /nfs/dbraw/zinc/63/87/56/249638756.db2.gz FXBIUPPJILLMFR-LBPRGKRZSA-N -1 0 331.715 2.948 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2CC)n1 ZINC000442052337 250063459 /nfs/dbraw/zinc/06/34/59/250063459.db2.gz GPZGFGKRRCFKEM-QMMMGPOBSA-N -1 0 335.410 2.829 20 30 EFEDRM COc1cc(CN=c2[n-]nc(CCc3ccccc3)o2)ccc1C#N ZINC000443052466 250153492 /nfs/dbraw/zinc/15/34/92/250153492.db2.gz QCMWJHIHVYENOA-UHFFFAOYSA-N -1 0 334.379 2.769 20 30 EFEDRM CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000443912791 250235199 /nfs/dbraw/zinc/23/51/99/250235199.db2.gz GDKVHDWLZLWEJE-INIZCTEOSA-N -1 0 348.424 2.688 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(COC)c(C#N)c2)s1 ZINC000530145777 269680717 /nfs/dbraw/zinc/68/07/17/269680717.db2.gz VJLRGGABNJKFJU-UHFFFAOYSA-N -1 0 337.426 2.524 20 30 EFEDRM CCCCc1n[n-]c(=NC(=O)NCc2ccc(C#N)c(F)c2)s1 ZINC000454252332 252189222 /nfs/dbraw/zinc/18/92/22/252189222.db2.gz ZGZZYXPYHUEGQQ-UHFFFAOYSA-N -1 0 333.392 2.635 20 30 EFEDRM CCn1c(COc2ccc(C#N)cc2)n[n-]c1=Nc1cccc(OC)c1 ZINC000460179497 255953697 /nfs/dbraw/zinc/95/36/97/255953697.db2.gz FALBLPOJAFJZPV-UHFFFAOYSA-N -1 0 349.394 2.923 20 30 EFEDRM CC#CCCCC(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000466737492 256006274 /nfs/dbraw/zinc/00/62/74/256006274.db2.gz GHWUQBUISMYCDK-UHFFFAOYSA-N -1 0 335.379 2.961 20 30 EFEDRM C#C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263510118 533326340 /nfs/dbraw/zinc/32/63/40/533326340.db2.gz YNHBOZNYQRXFHG-ZALBZXLWSA-N -1 0 334.803 2.957 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000041494669 292008612 /nfs/dbraw/zinc/00/86/12/292008612.db2.gz ZBOQWNFZYVAOGS-SECBINFHSA-N -1 0 325.349 2.901 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263456008 141396059 /nfs/dbraw/zinc/39/60/59/141396059.db2.gz CBFZJLNFCIWXKC-GHMZBOCLSA-N -1 0 341.289 2.594 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000263467972 141396738 /nfs/dbraw/zinc/39/67/38/141396738.db2.gz RGZSZHKSBKEUBO-CVEARBPZSA-N -1 0 346.452 2.941 20 30 EFEDRM Cc1nc(=NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[n-]n1C ZINC000344536787 142035999 /nfs/dbraw/zinc/03/59/99/142035999.db2.gz XAZQEJQQFKRHOO-UHFFFAOYSA-N -1 0 349.419 2.821 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc2n[nH]cc21 ZINC000346496601 142212160 /nfs/dbraw/zinc/21/21/60/142212160.db2.gz YMFCHAVXBOOBQP-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc(CCOc3ccccc3)o2)c(F)c1 ZINC000347898383 142289352 /nfs/dbraw/zinc/28/93/52/142289352.db2.gz QZHGOKMHZUMQMR-UHFFFAOYSA-N -1 0 338.342 2.736 20 30 EFEDRM COc1ccccc1-c1n[n-]c(=NCc2ccc(C#N)c(OC)c2)o1 ZINC000340701843 144920394 /nfs/dbraw/zinc/92/03/94/144920394.db2.gz USZPKOPTPXLZOE-UHFFFAOYSA-N -1 0 336.351 2.659 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)o1 ZINC000340939698 144958034 /nfs/dbraw/zinc/95/80/34/144958034.db2.gz NOKPHUVDYUGQAL-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)o1 ZINC000340952727 144960232 /nfs/dbraw/zinc/96/02/32/144960232.db2.gz BBGUAEAZTRSNCX-UHFFFAOYSA-N -1 0 344.352 2.564 20 30 EFEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc2n1 ZINC000340954988 144960600 /nfs/dbraw/zinc/96/06/00/144960600.db2.gz MFXVOBYMHCGECS-UHFFFAOYSA-N -1 0 330.369 2.883 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)o1 ZINC000340978327 144965408 /nfs/dbraw/zinc/96/54/08/144965408.db2.gz NQNNKZLCPJJKBZ-UHFFFAOYSA-N -1 0 336.344 2.880 20 30 EFEDRM COc1ccc(-c2cnc(NC(=O)c3ccc(C#N)c([O-])c3)n2C)cc1 ZINC000342411166 145119723 /nfs/dbraw/zinc/11/97/23/145119723.db2.gz KVJWABJBOIMPNO-UHFFFAOYSA-N -1 0 348.362 2.925 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)o1 ZINC000342463958 145131540 /nfs/dbraw/zinc/13/15/40/145131540.db2.gz GVJGXQYJRPKWEK-UHFFFAOYSA-N -1 0 341.320 2.840 20 30 EFEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C#N)o2)n1 ZINC000342466114 145131820 /nfs/dbraw/zinc/13/18/20/145131820.db2.gz PRVSWYBYKGKQOG-UHFFFAOYSA-N -1 0 325.415 2.997 20 30 EFEDRM Cc1nc([C@H]2CCCO2)sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000342518308 145141727 /nfs/dbraw/zinc/14/17/27/145141727.db2.gz NPNONXKSXHZAKT-GFCCVEGCSA-N -1 0 345.428 2.626 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000342589309 145154453 /nfs/dbraw/zinc/15/44/53/145154453.db2.gz BDKIWTDVQOXJGP-XJKSGUPXSA-N -1 0 348.374 2.746 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000342589307 145154598 /nfs/dbraw/zinc/15/45/98/145154598.db2.gz BDKIWTDVQOXJGP-CJNGLKHVSA-N -1 0 348.374 2.746 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1 ZINC000342716262 145178899 /nfs/dbraw/zinc/17/88/99/145178899.db2.gz BOXQJQWOTYFTHK-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000343810529 145300486 /nfs/dbraw/zinc/30/04/86/145300486.db2.gz DYZSRJXQASIRSK-UHFFFAOYSA-N -1 0 343.408 2.650 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)nc1C ZINC000348879228 146019183 /nfs/dbraw/zinc/01/91/83/146019183.db2.gz BRWRWEZNGKWLNH-UHFFFAOYSA-N -1 0 348.428 2.671 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccoc2)ccc1OC(F)(F)F ZINC000350897580 146099758 /nfs/dbraw/zinc/09/97/58/146099758.db2.gz PJWFQXGDFWPYEK-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)s1 ZINC000351224941 146116801 /nfs/dbraw/zinc/11/68/01/146116801.db2.gz QHMUKQAVKDBUIY-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000351226789 146117571 /nfs/dbraw/zinc/11/75/71/146117571.db2.gz SNQPINMWIVXWIY-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000351252303 146118728 /nfs/dbraw/zinc/11/87/28/146118728.db2.gz MRSRCHFDEPNXCA-LLVKDONJSA-N -1 0 330.351 2.519 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000353025349 146378762 /nfs/dbraw/zinc/37/87/62/146378762.db2.gz HKHTZSAMWDJXAV-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc12 ZINC000355816084 147073645 /nfs/dbraw/zinc/07/36/45/147073645.db2.gz SZNQQPSUSVHDQZ-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355880585 147090397 /nfs/dbraw/zinc/09/03/97/147090397.db2.gz IFXKLQNUQYHZJS-UHFFFAOYSA-N -1 0 330.413 2.656 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(F)c1 ZINC000356133028 147156025 /nfs/dbraw/zinc/15/60/25/147156025.db2.gz QDEGQWGLFISDJI-CYBMUJFWSA-N -1 0 326.368 2.838 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000357080644 147419527 /nfs/dbraw/zinc/41/95/27/147419527.db2.gz NAXSAFCMQLFJLL-UHFFFAOYSA-N -1 0 341.392 2.737 20 30 EFEDRM Cn1cc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)cc1C#N ZINC000359484152 148097999 /nfs/dbraw/zinc/09/79/99/148097999.db2.gz QTNIGYDLTFYNBA-UHFFFAOYSA-N -1 0 345.309 2.582 20 30 EFEDRM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2nn1C ZINC000359566702 148124902 /nfs/dbraw/zinc/12/49/02/148124902.db2.gz ZGUQTSCXQHHECY-UHFFFAOYSA-N -1 0 332.410 2.616 20 30 EFEDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(C)c3C#N)ccc12 ZINC000359591749 148132956 /nfs/dbraw/zinc/13/29/56/148132956.db2.gz JRPTZVZNMICEBX-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000359716916 148170164 /nfs/dbraw/zinc/17/01/64/148170164.db2.gz NDWRCRHQVPCZCY-ZYHUDNBSSA-N -1 0 328.322 2.601 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1sccc1Br ZINC000359718707 148171011 /nfs/dbraw/zinc/17/10/11/148171011.db2.gz QJZPNLAKFPSXOY-UHFFFAOYSA-N -1 0 337.202 2.657 20 30 EFEDRM CCNc1ccc(Cl)cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359723769 148171860 /nfs/dbraw/zinc/17/18/60/148171860.db2.gz JNMVLKQIJCVWCA-UHFFFAOYSA-N -1 0 329.791 2.918 20 30 EFEDRM Cc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1-c1cccc(C)c1 ZINC000359722093 148172175 /nfs/dbraw/zinc/17/21/75/148172175.db2.gz FHTVELCJEARGMG-UHFFFAOYSA-N -1 0 346.394 2.636 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359724028 148172725 /nfs/dbraw/zinc/17/27/25/148172725.db2.gz LBNVCOCNQDAFGQ-JTQLQIEISA-N -1 0 344.802 2.949 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000359724781 148172994 /nfs/dbraw/zinc/17/29/94/148172994.db2.gz MWUKSBMQTABGQG-QWHCGFSZSA-N -1 0 326.787 2.976 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(Cl)c1 ZINC000359862028 148209650 /nfs/dbraw/zinc/20/96/50/148209650.db2.gz ZDNGPNZPCISWCE-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000361114691 148545313 /nfs/dbraw/zinc/54/53/13/148545313.db2.gz GGYULGXADJMYSJ-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM Cc1nc(=NC(=O)c2ccc(COc3ccccc3C#N)o2)s[n-]1 ZINC000362132970 148762499 /nfs/dbraw/zinc/76/24/99/148762499.db2.gz FYTIANKKWIKCED-UHFFFAOYSA-N -1 0 340.364 2.564 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)s1 ZINC000373744634 151219947 /nfs/dbraw/zinc/21/99/47/151219947.db2.gz NPUQMVFIZFNRES-UHFFFAOYSA-N -1 0 347.421 2.695 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC3(CCC3)C2)cc1Cl ZINC000408499185 152201924 /nfs/dbraw/zinc/20/19/24/152201924.db2.gz MFVUERYMLXXNEW-UHFFFAOYSA-N -1 0 338.816 2.597 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1CC(C)C ZINC000155606941 544759822 /nfs/dbraw/zinc/75/98/22/544759822.db2.gz FKLONCMPIPNMPQ-AWEZNQCLSA-N -1 0 340.431 2.656 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ccc1N1CCCC1 ZINC000290922680 270024724 /nfs/dbraw/zinc/02/47/24/270024724.db2.gz ILJJCFUTDXMJHV-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000290936119 270024744 /nfs/dbraw/zinc/02/47/44/270024744.db2.gz KQCDTIGYQLQRLY-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)NCc2cccc(C#N)c2)n1 ZINC000438900694 270028653 /nfs/dbraw/zinc/02/86/53/270028653.db2.gz NHDACZJJCLZBPU-UHFFFAOYSA-N -1 0 346.390 2.942 20 30 EFEDRM Cc1nc(Sc2n[n-]c(=NCc3ccco3)s2)ccc1C#N ZINC000487913576 270029759 /nfs/dbraw/zinc/02/97/59/270029759.db2.gz SCHMBEWPXWEAQL-UHFFFAOYSA-N -1 0 329.410 2.891 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)[n-]1 ZINC000530457501 270035363 /nfs/dbraw/zinc/03/53/63/270035363.db2.gz DNKSZRUVAZLVIQ-RHSMWYFYSA-N -1 0 337.427 2.611 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@H]2C)[n-]1 ZINC000530457503 270035545 /nfs/dbraw/zinc/03/55/45/270035545.db2.gz DNKSZRUVAZLVIQ-YOEHRIQHSA-N -1 0 337.427 2.611 20 30 EFEDRM N#Cc1cccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000192911309 265311821 /nfs/dbraw/zinc/31/18/21/265311821.db2.gz XDMHQHPUBPGDNV-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM CC(C)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)CC(=O)c1ccccc1 ZINC000281962703 265759704 /nfs/dbraw/zinc/75/97/04/265759704.db2.gz LMDYRIWVLUFSHG-UHFFFAOYSA-N -1 0 335.367 2.781 20 30 EFEDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290461160 266362144 /nfs/dbraw/zinc/36/21/44/266362144.db2.gz DMGUNQJELNPFCH-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000282057967 266907219 /nfs/dbraw/zinc/90/72/19/266907219.db2.gz RZICACPLWATBNN-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM CCO[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000415260383 267154647 /nfs/dbraw/zinc/15/46/47/267154647.db2.gz WWFIEAMPQHKDLR-HNNXBMFYSA-N -1 0 326.400 2.648 20 30 EFEDRM C[C@H]1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@H](C)C1 ZINC000183018460 267209173 /nfs/dbraw/zinc/20/91/73/267209173.db2.gz FCHANWGVMKEILY-CHWSQXEVSA-N -1 0 334.441 2.577 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc(C)c1F ZINC000277083780 267360172 /nfs/dbraw/zinc/36/01/72/267360172.db2.gz SHDOZRMDXRMCSC-UHFFFAOYSA-N -1 0 334.376 2.716 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1C#N ZINC000324196131 267360317 /nfs/dbraw/zinc/36/03/17/267360317.db2.gz PNIQBHNZYPZCQI-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)ccc1C#N ZINC000278487326 267361743 /nfs/dbraw/zinc/36/17/43/267361743.db2.gz KQWRPGQQBSBJNK-UHFFFAOYSA-N -1 0 345.428 2.764 20 30 EFEDRM Cc1cc(S(=O)(=O)NCCCCCCCC(=O)[O-])ccc1C#N ZINC000278277002 267386628 /nfs/dbraw/zinc/38/66/28/267386628.db2.gz OTAVODCHNUXSCM-UHFFFAOYSA-N -1 0 338.429 2.570 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000517005376 267817997 /nfs/dbraw/zinc/81/79/97/267817997.db2.gz XAQKUXNYYZGKDL-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000425649886 267858385 /nfs/dbraw/zinc/85/83/85/267858385.db2.gz WRQCBAUIFORANP-MRVPVSSYSA-N -1 0 337.355 2.994 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1[O-] ZINC000188536724 268047820 /nfs/dbraw/zinc/04/78/20/268047820.db2.gz IRLZFOCTXGMTKE-UHFFFAOYSA-N -1 0 336.326 2.900 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc12 ZINC000438769835 268100484 /nfs/dbraw/zinc/10/04/84/268100484.db2.gz GDZXSSIMZOAWCY-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000330681021 268204026 /nfs/dbraw/zinc/20/40/26/268204026.db2.gz ZHLHOVYJBSELMJ-MWLCHTKSSA-N -1 0 336.335 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)o1 ZINC000288475132 268207965 /nfs/dbraw/zinc/20/79/65/268207965.db2.gz KVHDVBNMGBNWQV-HNNXBMFYSA-N -1 0 348.380 2.510 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)o1 ZINC000288591494 268208429 /nfs/dbraw/zinc/20/84/29/268208429.db2.gz SKXSEKJFXVNGEQ-UHFFFAOYSA-N -1 0 349.437 2.505 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(F)c1 ZINC000531497938 268260076 /nfs/dbraw/zinc/26/00/76/268260076.db2.gz VEQVKGXUOROBNJ-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c(F)c1 ZINC000523529738 268260401 /nfs/dbraw/zinc/26/04/01/268260401.db2.gz JDGNFNDASACUGT-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM N#Cc1cccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000491972177 268270399 /nfs/dbraw/zinc/27/03/99/268270399.db2.gz KLTLHXYWHMXHPY-WTKPLQERSA-N -1 0 332.319 2.553 20 30 EFEDRM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1 ZINC000055643670 292655433 /nfs/dbraw/zinc/65/54/33/292655433.db2.gz UJTHWQBUUQEFJR-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2ccccn2)cc1C#N ZINC000068465642 292703876 /nfs/dbraw/zinc/70/38/76/292703876.db2.gz RMMFUBHUDAYQAE-SNVBAGLBSA-N -1 0 328.397 2.609 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000073353743 292724389 /nfs/dbraw/zinc/72/43/89/292724389.db2.gz LUECOKHFSYSWPO-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000125503232 293011364 /nfs/dbraw/zinc/01/13/64/293011364.db2.gz ZTZKLAZUJJJLRU-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000126026463 293025333 /nfs/dbraw/zinc/02/53/33/293025333.db2.gz WCPWUSLVBZQYSL-MRVPVSSYSA-N -1 0 343.380 2.641 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000127952736 293087256 /nfs/dbraw/zinc/08/72/56/293087256.db2.gz VFQQTMQYMFMCEU-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128689168 293112454 /nfs/dbraw/zinc/11/24/54/293112454.db2.gz IMYBGSKBKJJNAQ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000129582541 293138515 /nfs/dbraw/zinc/13/85/15/293138515.db2.gz HTSQNKHVXZVLMG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C)c1 ZINC000129753988 293143080 /nfs/dbraw/zinc/14/30/80/293143080.db2.gz FPBNUULIOXMIPS-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc2c(cc1C#N)CCC2 ZINC000340375249 301303799 /nfs/dbraw/zinc/30/37/99/301303799.db2.gz UYYYKQOXCMFFJP-UHFFFAOYSA-N -1 0 345.399 2.999 20 30 EFEDRM Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000263418687 301342373 /nfs/dbraw/zinc/34/23/73/301342373.db2.gz ORDRYOFYZXVHIX-IBGZPJMESA-N -1 0 334.379 2.969 20 30 EFEDRM N#CC1(NC(=O)c2cc(F)cc(Br)c2[O-])CCCC1 ZINC000436852220 303146726 /nfs/dbraw/zinc/14/67/26/303146726.db2.gz OIJDNCDVVAELCQ-UHFFFAOYSA-N -1 0 327.153 2.860 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137438550 310668994 /nfs/dbraw/zinc/66/89/94/310668994.db2.gz WHAFDNGQGJTSEZ-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000160163727 310695611 /nfs/dbraw/zinc/69/56/11/310695611.db2.gz ZHTYHWWHTNSFII-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000160667017 310701596 /nfs/dbraw/zinc/70/15/96/310701596.db2.gz CLOXKBLSTKRDJS-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c(F)c1 ZINC000161188652 310706962 /nfs/dbraw/zinc/70/69/62/310706962.db2.gz ADOPFWFWTGEMON-UHFFFAOYSA-N -1 0 338.335 2.846 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(C)c1C ZINC000164014461 310729173 /nfs/dbraw/zinc/72/91/73/310729173.db2.gz VRPIJBGRSGNHFL-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)n1 ZINC000164012922 310729348 /nfs/dbraw/zinc/72/93/48/310729348.db2.gz PPUUIUKLQAMBNI-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322505949 311239506 /nfs/dbraw/zinc/23/95/06/311239506.db2.gz DLAGUDVAJKLWEC-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000323993339 311240822 /nfs/dbraw/zinc/24/08/22/311240822.db2.gz BNEADQRERXJOAN-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)CO2 ZINC000522058847 316067294 /nfs/dbraw/zinc/06/72/94/316067294.db2.gz FYYQUMDBFWCLKV-MRXNPFEDSA-N -1 0 328.393 2.587 20 30 EFEDRM N#Cc1ccccc1/C=C1/CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000535146497 317581777 /nfs/dbraw/zinc/58/17/77/317581777.db2.gz DVSCTIGMBJHKFE-LCYFTJDESA-N -1 0 343.342 2.911 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000540918853 317757762 /nfs/dbraw/zinc/75/77/62/317757762.db2.gz LVZRJPNGIKZQME-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000547956105 318056183 /nfs/dbraw/zinc/05/61/83/318056183.db2.gz VBELLIJJITUWKO-JTQLQIEISA-N -1 0 334.376 2.666 20 30 EFEDRM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000554580854 318326098 /nfs/dbraw/zinc/32/60/98/318326098.db2.gz YWNDLAMKPLVHSL-UHFFFAOYSA-N -1 0 330.727 2.956 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2noc(-c3ccccc3F)n2)c1 ZINC000555194492 318348567 /nfs/dbraw/zinc/34/85/67/318348567.db2.gz KXIHSUBKMXORRS-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CCC[C@H](CCCCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000562465462 318652096 /nfs/dbraw/zinc/65/20/96/318652096.db2.gz GYIBQBNWCCWKET-CQSZACIVSA-N -1 0 338.429 2.508 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N(C1CC1)C1CCCC1 ZINC000564347595 318857095 /nfs/dbraw/zinc/85/70/95/318857095.db2.gz IUPQHDQBBCCUSB-QHCPKHFHSA-N -1 0 334.416 2.739 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C1CC1 ZINC000565874966 319010415 /nfs/dbraw/zinc/01/04/15/319010415.db2.gz DUPNXXHNKGEJNO-UHFFFAOYSA-N -1 0 348.403 2.982 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000566238593 319051091 /nfs/dbraw/zinc/05/10/91/319051091.db2.gz CGGBPVSWKPELID-JSGCOSHPSA-N -1 0 345.399 2.920 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1C ZINC000567298239 319158294 /nfs/dbraw/zinc/15/82/94/319158294.db2.gz UGPJRIICWOKXPA-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)ccc1C#N ZINC000567869228 319220158 /nfs/dbraw/zinc/22/01/58/319220158.db2.gz QPWLUFLEVWTUFK-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C1CC1 ZINC000570400527 319473452 /nfs/dbraw/zinc/47/34/52/319473452.db2.gz DWDXACURVPPIFO-UHFFFAOYSA-N -1 0 348.403 2.982 20 30 EFEDRM CCC[C@H](CC)S(=O)(=O)[N-]c1nn(-c2ccc(C#N)cn2)cc1C ZINC000572769089 319702422 /nfs/dbraw/zinc/70/24/22/319702422.db2.gz OOSBALRPDIQLFL-AWEZNQCLSA-N -1 0 347.444 2.768 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ncc1C#N ZINC000573220786 319745675 /nfs/dbraw/zinc/74/56/75/319745675.db2.gz NAJFHRDMTZAUOR-UHFFFAOYSA-N -1 0 345.424 2.519 20 30 EFEDRM C[C@@H](O[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(=O)[O-] ZINC000576814378 320050671 /nfs/dbraw/zinc/05/06/71/320050671.db2.gz SISVDSYPHYJHQI-OPRDCNLKSA-N -1 0 336.413 2.561 20 30 EFEDRM C[C@@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000577373949 320104785 /nfs/dbraw/zinc/10/47/85/320104785.db2.gz YSNYVEDIDWAEFW-YPMHNXCESA-N -1 0 332.404 2.689 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000580693074 324213392 /nfs/dbraw/zinc/21/33/92/324213392.db2.gz UCNXOVLTQYPHKY-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000583935243 324898936 /nfs/dbraw/zinc/89/89/36/324898936.db2.gz ZFZIJYYYVJYSLT-WCQYABFASA-N -1 0 331.372 2.531 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)ccc1C#N ZINC000583968250 324903487 /nfs/dbraw/zinc/90/34/87/324903487.db2.gz XQANINXQBQZJTE-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000049458564 472949954 /nfs/dbraw/zinc/94/99/54/472949954.db2.gz SELPAEJDRVZVCQ-CQSZACIVSA-N -1 0 333.307 2.666 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1C#N ZINC000137506375 473207482 /nfs/dbraw/zinc/20/74/82/473207482.db2.gz ZYCPTJNLUPKWER-QFIPXVFZSA-N -1 0 348.449 2.546 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(F)c1 ZINC000124124219 473212972 /nfs/dbraw/zinc/21/29/72/473212972.db2.gz ZOANXQKKYRCXMZ-HNNXBMFYSA-N -1 0 334.347 2.802 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000095960082 473231351 /nfs/dbraw/zinc/23/13/51/473231351.db2.gz MIHCMBKDWCKCQZ-INIZCTEOSA-N -1 0 326.327 2.838 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C#N ZINC000095987684 473245512 /nfs/dbraw/zinc/24/55/12/473245512.db2.gz ZSUNTYJJTYXNRR-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000081756303 473250696 /nfs/dbraw/zinc/25/06/96/473250696.db2.gz GVANRZGHZRISRS-QPUJVOFHSA-N -1 0 328.488 2.508 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000124584400 473269508 /nfs/dbraw/zinc/26/95/08/473269508.db2.gz KRAVGDLNUXKWHX-UHFFFAOYSA-N -1 0 335.316 2.547 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000184931301 473277189 /nfs/dbraw/zinc/27/71/89/473277189.db2.gz WLWGZZSYFZUEPW-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000185001021 473297279 /nfs/dbraw/zinc/29/72/79/473297279.db2.gz PVFQFGFDETYVSX-UHFFFAOYSA-N -1 0 338.429 2.725 20 30 EFEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000177299876 473350524 /nfs/dbraw/zinc/35/05/24/473350524.db2.gz ZFWRZVRYLRETQG-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000177299752 473350692 /nfs/dbraw/zinc/35/06/92/473350692.db2.gz HUYORCDPPGYMQE-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C)c1O ZINC000177354188 473361987 /nfs/dbraw/zinc/36/19/87/473361987.db2.gz ATNZYUIGGBZQLG-UHFFFAOYSA-N -1 0 338.335 2.960 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)cs2)n1 ZINC000083939698 473374085 /nfs/dbraw/zinc/37/40/85/473374085.db2.gz QQPFIPSFJMUBPF-VIFPVBQESA-N -1 0 331.378 2.743 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000083955470 473376797 /nfs/dbraw/zinc/37/67/97/473376797.db2.gz WJFBIDMUPVZRGP-UHFFFAOYSA-N -1 0 340.817 2.741 20 30 EFEDRM N#Cc1ccc(CNC(=O)N=c2[n-]nc(C3CC3)s2)cc1Cl ZINC000619749854 479874485 /nfs/dbraw/zinc/87/44/85/479874485.db2.gz BCXRSBHRCDHSHR-UHFFFAOYSA-N -1 0 333.804 2.684 20 30 EFEDRM CCCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1cc(C)ccn1 ZINC000416960060 477387502 /nfs/dbraw/zinc/38/75/02/477387502.db2.gz QRRKEYUJJXEOEE-CYBMUJFWSA-N -1 0 347.444 2.572 20 30 EFEDRM C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CC(F)(F)F ZINC000416603019 477235792 /nfs/dbraw/zinc/23/57/92/477235792.db2.gz KEYXITFCJNDFSZ-SSDOTTSWSA-N -1 0 342.289 2.703 20 30 EFEDRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613205023 479914060 /nfs/dbraw/zinc/91/40/60/479914060.db2.gz KVNZKLKSNGGTBK-NVXWUHKLSA-N -1 0 337.427 2.795 20 30 EFEDRM CCN(CC/N=C/c1c(O)c(C)ncc1CO)c1cccc(C)c1 ZINC000005110921 471487203 /nfs/dbraw/zinc/48/72/03/471487203.db2.gz GGDQFMARYITLEX-UDWIEESQSA-N -1 0 327.428 2.842 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000622163322 479930478 /nfs/dbraw/zinc/93/04/78/479930478.db2.gz RDFMIUSMYUAASS-UHFFFAOYSA-N -1 0 347.440 2.984 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000013167335 471818650 /nfs/dbraw/zinc/81/86/50/471818650.db2.gz REWJSIKXLUDRML-FNORWQNLSA-N -1 0 345.395 2.596 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1C#N ZINC000067594355 472055772 /nfs/dbraw/zinc/05/57/72/472055772.db2.gz BHSXPCMWSMIWQU-JSGCOSHPSA-N -1 0 343.383 2.806 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1C#N ZINC000067594354 472056072 /nfs/dbraw/zinc/05/60/72/472056072.db2.gz BHSXPCMWSMIWQU-OCCSQVGLSA-N -1 0 343.383 2.806 20 30 EFEDRM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2o1 ZINC000041544338 472068824 /nfs/dbraw/zinc/06/88/24/472068824.db2.gz HSHQCDXMLXFWCO-LLVKDONJSA-N -1 0 333.303 2.649 20 30 EFEDRM CNc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000041574615 472071204 /nfs/dbraw/zinc/07/12/04/472071204.db2.gz GVPXYYQFQMPLAN-GFCCVEGCSA-N -1 0 325.328 2.533 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000041574070 472071259 /nfs/dbraw/zinc/07/12/59/472071259.db2.gz JAKPZELPHMDDCU-LBPRGKRZSA-N -1 0 326.312 2.500 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C#N)c2)n1 ZINC000067896404 472106176 /nfs/dbraw/zinc/10/61/76/472106176.db2.gz IQWUGSMLBUMOCB-GFCCVEGCSA-N -1 0 325.349 2.682 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3c2OCO3)n1 ZINC000067897283 472106977 /nfs/dbraw/zinc/10/69/77/472106977.db2.gz FDWUUKWLSUYJML-SNVBAGLBSA-N -1 0 344.348 2.539 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1 ZINC000054802317 472116479 /nfs/dbraw/zinc/11/64/79/472116479.db2.gz QBXFMBDPBKCXSO-RMKNXTFCSA-N -1 0 340.331 2.817 20 30 EFEDRM CCOC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000042232666 472124799 /nfs/dbraw/zinc/12/47/99/472124799.db2.gz OXVLHTLMUITDFC-UHFFFAOYSA-N -1 0 348.380 2.949 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCC2 ZINC000042290111 472127263 /nfs/dbraw/zinc/12/72/63/472127263.db2.gz AFOBFLXIEVZKSL-UHFFFAOYSA-N -1 0 340.426 2.925 20 30 EFEDRM CCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1OCC ZINC000026275316 472129973 /nfs/dbraw/zinc/12/99/73/472129973.db2.gz OHANNHGHMCJZLA-UHFFFAOYSA-N -1 0 339.355 2.593 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@@H](C)C#N)n2)c1 ZINC000084385084 472174781 /nfs/dbraw/zinc/17/47/81/472174781.db2.gz FZAAIDSYWPFSIZ-ZDUSSCGKSA-N -1 0 326.400 2.933 20 30 EFEDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000055616765 472212396 /nfs/dbraw/zinc/21/23/96/472212396.db2.gz QSCKUIQNVWMTNR-UHFFFAOYSA-N -1 0 329.381 2.708 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)o1 ZINC000076311072 472318949 /nfs/dbraw/zinc/31/89/49/472318949.db2.gz WQFLCSOBVULSFR-CQSZACIVSA-N -1 0 348.366 2.897 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000069345804 472326406 /nfs/dbraw/zinc/32/64/06/472326406.db2.gz STLSQNDZNOUHJR-CQSZACIVSA-N -1 0 339.355 2.711 20 30 EFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000045097775 472372999 /nfs/dbraw/zinc/37/29/99/472372999.db2.gz MKPNNKJKVOUCAE-UHFFFAOYSA-N -1 0 333.365 2.591 20 30 EFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2CCOCC2)c1C ZINC000069603841 472379200 /nfs/dbraw/zinc/37/92/00/472379200.db2.gz KSCLSEFJZMDNCJ-UHFFFAOYSA-N -1 0 325.430 2.992 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000057124100 472383162 /nfs/dbraw/zinc/38/31/62/472383162.db2.gz MKLVQPXTHNNORP-UHFFFAOYSA-N -1 0 347.392 2.839 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2[n-]c1=S ZINC000031716817 472389243 /nfs/dbraw/zinc/38/92/43/472389243.db2.gz XOFXFEYQYYAWMZ-LBPRGKRZSA-N -1 0 345.468 2.988 20 30 EFEDRM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000154202022 472400971 /nfs/dbraw/zinc/40/09/71/472400971.db2.gz UCDJVFHGDIXFNF-UHFFFAOYSA-N -1 0 336.438 2.807 20 30 EFEDRM C=CCS(=O)(=O)/N=C([O-])/C=C/c1c(Cl)nc2sccn12 ZINC000089288316 472405800 /nfs/dbraw/zinc/40/58/00/472405800.db2.gz VDASFMSGQXZMKE-ONEGZZNKSA-N -1 0 331.806 2.535 20 30 EFEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nnc2n1CCCCC2 ZINC000097000175 472406739 /nfs/dbraw/zinc/40/67/39/472406739.db2.gz BZNLBFFLTZYWQT-LLVKDONJSA-N -1 0 327.413 2.828 20 30 EFEDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935447 472426844 /nfs/dbraw/zinc/42/68/44/472426844.db2.gz BOQWKXHSUBHQQZ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1C ZINC000097081002 472434315 /nfs/dbraw/zinc/43/43/15/472434315.db2.gz KOYQGPNQVZPNKF-UHFFFAOYSA-N -1 0 328.777 2.779 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000097107098 472449798 /nfs/dbraw/zinc/44/97/98/472449798.db2.gz LQFKRHYZZIYYTH-LBPRGKRZSA-N -1 0 349.456 2.994 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccsc1)c1ncccc1C(F)(F)F ZINC000097113086 472453550 /nfs/dbraw/zinc/45/35/50/472453550.db2.gz CBLRFICWGKKFKF-UHFFFAOYSA-N -1 0 336.316 2.855 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000097135120 472458488 /nfs/dbraw/zinc/45/84/88/472458488.db2.gz RMEHOLARCUMMIR-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nncn1Cc1ccccc1 ZINC000117733430 472475926 /nfs/dbraw/zinc/47/59/26/472475926.db2.gz OKXVRHAERFJPGK-CQSZACIVSA-N -1 0 347.378 2.604 20 30 EFEDRM Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000058050634 472501941 /nfs/dbraw/zinc/50/19/41/472501941.db2.gz PTWMGGGVKCGCNY-VOTSOKGWSA-N -1 0 339.804 2.741 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] ZINC000119131177 472529406 /nfs/dbraw/zinc/52/94/06/472529406.db2.gz NOFPQUFVLWDGIT-UHFFFAOYSA-N -1 0 341.345 2.776 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-c3ccccc3Cl)on2)[n-]c1C#N ZINC000077492886 472538719 /nfs/dbraw/zinc/53/87/19/472538719.db2.gz MTIQLDMGIBZVRD-UHFFFAOYSA-N -1 0 338.714 2.714 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(O)c1 ZINC000129515156 472549167 /nfs/dbraw/zinc/54/91/67/472549167.db2.gz YFIZQNSRHBNZFR-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cncc2ccccc21 ZINC000102099290 472564990 /nfs/dbraw/zinc/56/49/90/472564990.db2.gz COHXZWMHZPRZEE-KRWDZBQOSA-N -1 0 329.359 2.874 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cncc2ccccc21 ZINC000102099295 472565237 /nfs/dbraw/zinc/56/52/37/472565237.db2.gz COHXZWMHZPRZEE-QGZVFWFLSA-N -1 0 329.359 2.874 20 30 EFEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130295838 472595711 /nfs/dbraw/zinc/59/57/11/472595711.db2.gz WGKZOFFIIRWCQO-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000102862146 472596468 /nfs/dbraw/zinc/59/64/68/472596468.db2.gz YMEUMTWUCLTPOJ-UHFFFAOYSA-N -1 0 347.371 2.847 20 30 EFEDRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883896 472598306 /nfs/dbraw/zinc/59/83/06/472598306.db2.gz UQEPSUBIWVSWNA-UHFFFAOYSA-N -1 0 329.271 2.526 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000046928707 472623793 /nfs/dbraw/zinc/62/37/93/472623793.db2.gz XMQSOFPSGXCCDA-UHFFFAOYSA-N -1 0 345.785 2.824 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000130914327 472635979 /nfs/dbraw/zinc/63/59/79/472635979.db2.gz ATDUXGBWTCBMHI-CYBMUJFWSA-N -1 0 328.335 2.634 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000130914538 472636063 /nfs/dbraw/zinc/63/60/63/472636063.db2.gz ATDUXGBWTCBMHI-ZDUSSCGKSA-N -1 0 328.335 2.634 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccccn1 ZINC000120156415 472639970 /nfs/dbraw/zinc/63/99/70/472639970.db2.gz HZGZPXORAXKCPV-UHFFFAOYSA-N -1 0 349.387 2.791 20 30 EFEDRM O=C(C=Cc1ccnc2ccccc12)[N-]S(=O)(=O)c1cccnc1 ZINC000077940441 472643610 /nfs/dbraw/zinc/64/36/10/472643610.db2.gz CYQTXNYJVXPONG-BQYQJAHWSA-N -1 0 339.376 2.988 20 30 EFEDRM CN(CC#Cc1ccc(F)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131520618 472675430 /nfs/dbraw/zinc/67/54/30/472675430.db2.gz BNMOBOHWJRLNRE-UHFFFAOYSA-N -1 0 327.384 2.607 20 30 EFEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1 ZINC000091052453 472687131 /nfs/dbraw/zinc/68/71/31/472687131.db2.gz WFQLWLPFSCCGJK-UHFFFAOYSA-N -1 0 334.401 2.651 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000047318047 472688786 /nfs/dbraw/zinc/68/87/86/472688786.db2.gz YZRBXKDYPSVLCM-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000132252196 472723650 /nfs/dbraw/zinc/72/36/50/472723650.db2.gz JNZQOAXXBBYELM-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)[n-]c1C#N ZINC000047528837 472725788 /nfs/dbraw/zinc/72/57/88/472725788.db2.gz NFJMHLOGKRVQLP-UHFFFAOYSA-N -1 0 338.714 2.714 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N(C)Cc3cccc(C#N)c3)cc2=O)cc1 ZINC000072882003 472733188 /nfs/dbraw/zinc/73/31/88/472733188.db2.gz MSZDNZZFZONZTA-UHFFFAOYSA-N -1 0 346.390 2.618 20 30 EFEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cn1 ZINC000121122769 472801828 /nfs/dbraw/zinc/80/18/28/472801828.db2.gz KNNYVLFHAOQVJT-VIFPVBQESA-N -1 0 339.298 2.751 20 30 EFEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000079201430 472831851 /nfs/dbraw/zinc/83/18/51/472831851.db2.gz MWKUYEBZOHCQKH-RMKNXTFCSA-N -1 0 347.352 2.657 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCCO2)s1 ZINC000064099868 472834067 /nfs/dbraw/zinc/83/40/67/472834067.db2.gz UBFQOWDICQYKFR-RYUDHWBXSA-N -1 0 347.458 2.676 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C)cc1 ZINC000048421860 472876423 /nfs/dbraw/zinc/87/64/23/472876423.db2.gz MFGWITSPUKXOEP-UHFFFAOYSA-N -1 0 342.417 2.555 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048448155 472879356 /nfs/dbraw/zinc/87/93/56/472879356.db2.gz ULKAYVYOWOWFOR-AATRIKPKSA-N -1 0 345.833 2.802 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)cc1C ZINC000048474861 472881526 /nfs/dbraw/zinc/88/15/26/472881526.db2.gz OSBGDWCZBHUABT-UHFFFAOYSA-N -1 0 334.397 2.864 20 30 EFEDRM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000048491312 472882860 /nfs/dbraw/zinc/88/28/60/472882860.db2.gz PIUMVVGPJBNNQZ-UHFFFAOYSA-N -1 0 338.385 2.774 20 30 EFEDRM COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490398 472882876 /nfs/dbraw/zinc/88/28/76/472882876.db2.gz IIIJBSKDZRADKW-UHFFFAOYSA-N -1 0 344.776 2.647 20 30 EFEDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490272 472882914 /nfs/dbraw/zinc/88/29/14/472882914.db2.gz VTVAEXHVEIRLMK-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1OCC ZINC000048493771 472883099 /nfs/dbraw/zinc/88/30/99/472883099.db2.gz YKAHYZANDBHUGR-JQWIXIFHSA-N -1 0 327.402 2.785 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc(OC(F)F)c1 ZINC000048490109 472883209 /nfs/dbraw/zinc/88/32/09/472883209.db2.gz JNFQCORTJMVBPH-UHFFFAOYSA-N -1 0 346.311 2.586 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)cc1 ZINC000106723074 472883389 /nfs/dbraw/zinc/88/33/89/472883389.db2.gz BMEZETTZNILTNI-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2o1 ZINC000158023082 472883768 /nfs/dbraw/zinc/88/37/68/472883768.db2.gz JSBHOUIBOGBINR-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(F)c1 ZINC000158022766 472883996 /nfs/dbraw/zinc/88/39/96/472883996.db2.gz QPZGKYPEHCFAKT-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc21 ZINC000158099688 472893148 /nfs/dbraw/zinc/89/31/48/472893148.db2.gz RULCDDVGGZEAHE-UHFFFAOYSA-N -1 0 344.371 2.868 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 ZINC000048612175 472893765 /nfs/dbraw/zinc/89/37/65/472893765.db2.gz LRDVROYWOLSXPO-UHFFFAOYSA-N -1 0 345.376 2.598 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C ZINC000158142848 472896442 /nfs/dbraw/zinc/89/64/42/472896442.db2.gz JFZLDMBAFRLZKX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)o1 ZINC000048676971 472898357 /nfs/dbraw/zinc/89/83/57/472898357.db2.gz DSMIGFLGQAFZIH-ZHACJKMWSA-N -1 0 334.397 2.935 20 30 EFEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nn2)cc1 ZINC000048813548 472912433 /nfs/dbraw/zinc/91/24/33/472912433.db2.gz BDKBINXURZBTJR-AWEZNQCLSA-N -1 0 342.362 2.942 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092567613 472936994 /nfs/dbraw/zinc/93/69/94/472936994.db2.gz ULBIJIVFOFCKCL-UHFFFAOYSA-N -1 0 341.367 2.821 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049394071 472947165 /nfs/dbraw/zinc/94/71/65/472947165.db2.gz VPSWJZRIVYBBSS-OAHLLOKOSA-N -1 0 344.378 2.996 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)o1 ZINC000049394278 472947588 /nfs/dbraw/zinc/94/75/88/472947588.db2.gz QPMYVAGXJXMFIQ-GFCCVEGCSA-N -1 0 334.339 2.589 20 30 EFEDRM CCCCCCCC[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000134729309 472959098 /nfs/dbraw/zinc/95/90/98/472959098.db2.gz ZSYTZMCAUAQSNX-UHFFFAOYSA-N -1 0 334.463 2.569 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c([N+](=O)[O-])c1 ZINC000158696646 472959973 /nfs/dbraw/zinc/95/99/73/472959973.db2.gz KMIVEVSQBHBVMB-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000092697186 472965873 /nfs/dbraw/zinc/96/58/73/472965873.db2.gz VTSVLWJDPBWUMJ-GFCCVEGCSA-N -1 0 337.408 2.991 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000122042438 472969051 /nfs/dbraw/zinc/96/90/51/472969051.db2.gz QLDVZLXAMVZBSW-AWEZNQCLSA-N -1 0 340.431 2.800 20 30 EFEDRM COc1cc(OC2CC2)ccc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000616908527 480022961 /nfs/dbraw/zinc/02/29/61/480022961.db2.gz ZMEMDXJJAYRDNF-UHFFFAOYSA-N -1 0 340.383 2.560 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n(C)n1 ZINC000092877159 473001164 /nfs/dbraw/zinc/00/11/64/473001164.db2.gz HQBBRCBZFUDNAW-UHFFFAOYSA-N -1 0 338.820 2.698 20 30 EFEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000135305172 473054073 /nfs/dbraw/zinc/05/40/73/473054073.db2.gz KDIZUHGVCYRUJQ-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)c1 ZINC000135321181 473056899 /nfs/dbraw/zinc/05/68/99/473056899.db2.gz AZGUSGJUHDPLFN-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000135561688 473093075 /nfs/dbraw/zinc/09/30/75/473093075.db2.gz CLQVZRNYAISLST-UHFFFAOYSA-N -1 0 331.397 2.706 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1[N+](=O)[O-] ZINC000123081329 473095912 /nfs/dbraw/zinc/09/59/12/473095912.db2.gz LVULQOKDIOGCGX-UHFFFAOYSA-N -1 0 341.345 2.776 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000109422606 473100087 /nfs/dbraw/zinc/10/00/87/473100087.db2.gz RZHGBRVCWNXOQG-UHFFFAOYSA-N -1 0 349.387 2.845 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000123132100 473101655 /nfs/dbraw/zinc/10/16/55/473101655.db2.gz USGLHGFKGRROPW-UHFFFAOYSA-N -1 0 342.848 2.894 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000080926429 473103523 /nfs/dbraw/zinc/10/35/23/473103523.db2.gz BXMNCAZGCYASGK-UHFFFAOYSA-N -1 0 344.436 2.966 20 30 EFEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)n2)cc1 ZINC000066506461 473106650 /nfs/dbraw/zinc/10/66/50/473106650.db2.gz FPZWKQPXZIFZEQ-INIZCTEOSA-N -1 0 347.378 2.778 20 30 EFEDRM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1F ZINC000066587903 473118445 /nfs/dbraw/zinc/11/84/45/473118445.db2.gz JSDPSSPBOFJTRN-UHFFFAOYSA-N -1 0 349.343 2.676 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000093908576 473162283 /nfs/dbraw/zinc/16/22/83/473162283.db2.gz YUWCDONUMNKNHB-KRWDZBQOSA-N -1 0 339.370 2.554 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000110590339 473163959 /nfs/dbraw/zinc/16/39/59/473163959.db2.gz JLCXHUWRXZNNTM-JTQLQIEISA-N -1 0 336.442 2.771 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 ZINC000123646580 473168592 /nfs/dbraw/zinc/16/85/92/473168592.db2.gz WMTIRDSXKUIPEQ-VIFPVBQESA-N -1 0 335.722 2.991 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1OC ZINC000095385803 473194128 /nfs/dbraw/zinc/19/41/28/473194128.db2.gz SGTDZOWCZZJFBJ-UHFFFAOYSA-N -1 0 327.402 2.929 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1C#N ZINC000137313153 473202313 /nfs/dbraw/zinc/20/23/13/473202313.db2.gz YXKSUXWYYCCVPJ-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1cnc2ccccc2n1 ZINC000190957435 473440707 /nfs/dbraw/zinc/44/07/07/473440707.db2.gz GRSIPZCJMVHBFC-CYBMUJFWSA-N -1 0 330.347 2.686 20 30 EFEDRM CCc1cc(O)ccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000191051226 473466567 /nfs/dbraw/zinc/46/65/67/473466567.db2.gz JYOXMJHZDAOKMR-UHFFFAOYSA-N -1 0 339.395 2.703 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000185637506 473474166 /nfs/dbraw/zinc/47/41/66/473474166.db2.gz BVYXSSATGUVMLB-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000164019242 473475904 /nfs/dbraw/zinc/47/59/04/473475904.db2.gz DBFXQHXYFGPWHY-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM CC(C)N(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)C(C)C ZINC000151839187 473498101 /nfs/dbraw/zinc/49/81/01/473498101.db2.gz YOSLSDWCYSVNIV-UHFFFAOYSA-N -1 0 334.464 2.988 20 30 EFEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2ccccc2)c(=O)c1CCC#N ZINC000151843600 473498837 /nfs/dbraw/zinc/49/88/37/473498837.db2.gz BXNHWAQQABTSEU-UHFFFAOYSA-N -1 0 326.400 2.981 20 30 EFEDRM N#CCNC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000126392613 473513482 /nfs/dbraw/zinc/51/34/82/473513482.db2.gz UIAOLUMGQLHPES-UHFFFAOYSA-N -1 0 345.573 2.791 20 30 EFEDRM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000191466312 473543052 /nfs/dbraw/zinc/54/30/52/473543052.db2.gz VAMGVVKUJINZGX-ZDUSSCGKSA-N -1 0 339.370 2.754 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c1 ZINC000185967753 473560760 /nfs/dbraw/zinc/56/07/60/473560760.db2.gz ZAOLFZCAKLIYNM-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000178999525 473608040 /nfs/dbraw/zinc/60/80/40/473608040.db2.gz YOKLALSFPMIXIJ-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM COCc1c(C(=O)C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000186198067 473613578 /nfs/dbraw/zinc/61/35/78/473613578.db2.gz WNGVMCKFELIGRB-OAHLLOKOSA-N -1 0 332.363 2.904 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCC)C3CC3)cc2[n-]c1=S ZINC000170900311 473643106 /nfs/dbraw/zinc/64/31/06/473643106.db2.gz BOUMSSDLJQMSPK-UHFFFAOYSA-N -1 0 343.452 2.886 20 30 EFEDRM CN(Cc1ccc(C#N)c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000192192025 473645009 /nfs/dbraw/zinc/64/50/09/473645009.db2.gz APSFUBXJSYOPSS-UHFFFAOYSA-N -1 0 328.372 2.627 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(F)c1 ZINC000186337576 473653599 /nfs/dbraw/zinc/65/35/99/473653599.db2.gz VYOQHILRSAQFHV-UHFFFAOYSA-N -1 0 348.374 2.890 20 30 EFEDRM Cn1ncc2c1[n-]cc(C(=O)Nc1ccc(C(C)(C)C#N)cc1)c2=O ZINC000179419313 473685910 /nfs/dbraw/zinc/68/59/10/473685910.db2.gz AHZRWSFLSGQVBJ-UHFFFAOYSA-N -1 0 335.367 2.727 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000186640172 473709857 /nfs/dbraw/zinc/70/98/57/473709857.db2.gz IPQFWUVBHAWWOH-UHFFFAOYSA-N -1 0 333.388 2.705 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000186704224 473734328 /nfs/dbraw/zinc/73/43/28/473734328.db2.gz GCTFQAXIUMWJBN-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000263212016 473745041 /nfs/dbraw/zinc/74/50/41/473745041.db2.gz NQGQFMOSBWBICL-CMPLNLGQSA-N -1 0 340.339 2.562 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186747470 473746664 /nfs/dbraw/zinc/74/66/64/473746664.db2.gz MATMUJXYWAZVIE-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263498905 473761202 /nfs/dbraw/zinc/76/12/02/473761202.db2.gz URCPBSYHDDIECV-MRXNPFEDSA-N -1 0 343.427 2.798 20 30 EFEDRM N#C[C@@]1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCc2ccccc2C1 ZINC000186910223 473780161 /nfs/dbraw/zinc/78/01/61/473780161.db2.gz XBRIWFDMAQTFLH-GOSISDBHSA-N -1 0 346.308 2.991 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000193360335 473782974 /nfs/dbraw/zinc/78/29/74/473782974.db2.gz SYQUTAHWFIDESW-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000193359548 473784071 /nfs/dbraw/zinc/78/40/71/473784071.db2.gz AGXBXIYWWQQQAH-UHFFFAOYSA-N -1 0 330.394 2.558 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000186974386 473792455 /nfs/dbraw/zinc/79/24/55/473792455.db2.gz JUDRIKSKWBLZLV-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000186973666 473792549 /nfs/dbraw/zinc/79/25/49/473792549.db2.gz SKHJVOZVUQFRFA-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000186991745 473797692 /nfs/dbraw/zinc/79/76/92/473797692.db2.gz UHANOJWWGCZQFC-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1C1CCCC1 ZINC000194224495 473861509 /nfs/dbraw/zinc/86/15/09/473861509.db2.gz YXIBYSOOMWXYOO-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CCCCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)n1 ZINC000187485138 473878731 /nfs/dbraw/zinc/87/87/31/473878731.db2.gz VCBHFLCIKDKYNE-AWEZNQCLSA-N -1 0 340.431 2.800 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000187767480 473917220 /nfs/dbraw/zinc/91/72/20/473917220.db2.gz JTKZGPRPEFTDPP-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000194861151 473964407 /nfs/dbraw/zinc/96/44/07/473964407.db2.gz FIBMJQXFKZWLQG-UHFFFAOYSA-N -1 0 340.792 2.594 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000180789501 473966176 /nfs/dbraw/zinc/96/61/76/473966176.db2.gz VCNKGSLRDAZGAM-KPZWWZAWSA-N -1 0 342.374 2.919 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1C#N ZINC000181149252 474009090 /nfs/dbraw/zinc/00/90/90/474009090.db2.gz ZSFSHVKJGBNTRR-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000288685014 474021090 /nfs/dbraw/zinc/02/10/90/474021090.db2.gz UXLSVVCARCEKQE-ZCFIWIBFSA-N -1 0 346.252 2.806 20 30 EFEDRM Cc1cccc(NC(=O)[C@@H](C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000181292148 474023363 /nfs/dbraw/zinc/02/33/63/474023363.db2.gz LEWRLTOICQBOLI-JTQLQIEISA-N -1 0 338.289 2.694 20 30 EFEDRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181773202 474063245 /nfs/dbraw/zinc/06/32/45/474063245.db2.gz VJCKPWLLSBMUIW-GFCCVEGCSA-N -1 0 344.392 2.937 20 30 EFEDRM C=C[C@](C)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 ZINC000288950547 474101621 /nfs/dbraw/zinc/10/16/21/474101621.db2.gz PCGNCHJMLPYAGP-QZTJIDSGSA-N -1 0 340.383 2.645 20 30 EFEDRM C=CCn1c(SCC(=O)[N-]OCc2ccccc2)nnc1C1CC1 ZINC000198386550 474112819 /nfs/dbraw/zinc/11/28/19/474112819.db2.gz OAGOACDXEZOLBV-UHFFFAOYSA-N -1 0 344.440 2.682 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1O ZINC000188792896 474197975 /nfs/dbraw/zinc/19/79/75/474197975.db2.gz ACSLVXQJSJSTTL-INIZCTEOSA-N -1 0 326.327 2.696 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000633988629 480086394 /nfs/dbraw/zinc/08/63/94/480086394.db2.gz OHPGFPDOHZHQIP-LBPRGKRZSA-N -1 0 332.429 2.774 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@H]2CC=CCC2)c(C(F)(F)F)c1 ZINC000265464493 474224509 /nfs/dbraw/zinc/22/45/09/474224509.db2.gz HQJLAGBMLCYBJA-NSHDSACASA-N -1 0 330.331 2.964 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1 ZINC000608927428 480104579 /nfs/dbraw/zinc/10/45/79/480104579.db2.gz OGXMQIPVSGDSRC-UHFFFAOYSA-N -1 0 348.428 2.695 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)C#N)n2)cc1 ZINC000266472958 474433071 /nfs/dbraw/zinc/43/30/71/474433071.db2.gz BEGUZDKRVLBKFO-CYBMUJFWSA-N -1 0 326.400 2.933 20 30 EFEDRM CCNC(=O)C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000276906104 474573857 /nfs/dbraw/zinc/57/38/57/474573857.db2.gz PFZHIXOYLBRJNM-CAOOACKPSA-N -1 0 339.779 2.679 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(N)c1 ZINC000276873152 474573922 /nfs/dbraw/zinc/57/39/22/474573922.db2.gz KLVBJHIADXVQPF-AWEZNQCLSA-N -1 0 342.461 2.751 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000284113901 474575757 /nfs/dbraw/zinc/57/57/57/474575757.db2.gz XCYWDAUGKSQHDE-NSHDSACASA-N -1 0 331.821 2.521 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc2c(cc1C#N)CCC2 ZINC000290526301 474576212 /nfs/dbraw/zinc/57/62/12/474576212.db2.gz NMAXFNKWPBHOQT-UHFFFAOYSA-N -1 0 337.408 2.789 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2cncc(C#N)c2)cnn1CCC(C)C ZINC000290591934 474578523 /nfs/dbraw/zinc/57/85/23/474578523.db2.gz XOZSAZVKMUGOML-UHFFFAOYSA-N -1 0 347.444 2.559 20 30 EFEDRM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1O ZINC000290591974 474578777 /nfs/dbraw/zinc/57/87/77/474578777.db2.gz XPSZOKWXVINVRM-UHFFFAOYSA-N -1 0 336.369 2.583 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]c1C1CC1 ZINC000277127269 474578891 /nfs/dbraw/zinc/57/88/91/474578891.db2.gz ZPHVNMZHOGMHJB-UHFFFAOYSA-N -1 0 328.806 2.674 20 30 EFEDRM C=CC[C@@H]1N(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1(C)C ZINC000277918585 474598295 /nfs/dbraw/zinc/59/82/95/474598295.db2.gz HFOSWEVSPMUSJH-ZDUSSCGKSA-N -1 0 342.399 2.643 20 30 EFEDRM C#CCO[N-]C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000291333734 474601051 /nfs/dbraw/zinc/60/10/51/474601051.db2.gz UWGWXGBVWJUGJW-UHFFFAOYSA-N -1 0 341.207 2.784 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000184768384 474603573 /nfs/dbraw/zinc/60/35/73/474603573.db2.gz WMKFOFUQEJUTPG-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000184800137 474610713 /nfs/dbraw/zinc/61/07/13/474610713.db2.gz NNVQYIQSRRVSES-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000184838873 474617925 /nfs/dbraw/zinc/61/79/25/474617925.db2.gz IAWXIRYAWRPYPU-UHFFFAOYSA-N -1 0 327.365 2.849 20 30 EFEDRM N#CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000284459234 474644076 /nfs/dbraw/zinc/64/40/76/474644076.db2.gz WKDWRLXOKUZCME-UHFFFAOYSA-N -1 0 328.347 2.625 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OC/C=C/Cl)CCCN1C(=O)OC(C)(C)C ZINC000291697446 474651133 /nfs/dbraw/zinc/65/11/33/474651133.db2.gz BZFHAZKNBMZUBL-JCVNQNCUSA-N -1 0 342.823 2.580 20 30 EFEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc21 ZINC000340810986 474684128 /nfs/dbraw/zinc/68/41/28/474684128.db2.gz FXNBBBWFTHLHRN-UHFFFAOYSA-N -1 0 330.369 2.883 20 30 EFEDRM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000340881835 474745023 /nfs/dbraw/zinc/74/50/23/474745023.db2.gz MEGTWDYDZJEIOF-ZCFIWIBFSA-N -1 0 325.173 2.754 20 30 EFEDRM COCCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C ZINC000253424941 474749462 /nfs/dbraw/zinc/74/94/62/474749462.db2.gz YHRHVAAKTMBAQB-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)cc1 ZINC000340912216 474772359 /nfs/dbraw/zinc/77/23/59/474772359.db2.gz NCZMNGILMSOZCY-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344636277 474772915 /nfs/dbraw/zinc/77/29/15/474772915.db2.gz NWCGKWWMPRCBFB-GFCCVEGCSA-N -1 0 334.335 2.625 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1 ZINC000344864678 474803030 /nfs/dbraw/zinc/80/30/30/474803030.db2.gz VPVXLOCJZGRVBE-VIFPVBQESA-N -1 0 331.353 2.675 20 30 EFEDRM Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340943679 474804170 /nfs/dbraw/zinc/80/41/70/474804170.db2.gz UUSSOVBFOOHBOT-UHFFFAOYSA-N -1 0 342.380 2.505 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000308122841 474816884 /nfs/dbraw/zinc/81/68/84/474816884.db2.gz RTCRLASCJGXLAF-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2F)c1 ZINC000340977312 474840123 /nfs/dbraw/zinc/84/01/23/474840123.db2.gz OSOBEFGSTSUCRD-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc([C@H](C)CC)cc1)C(=O)[O-] ZINC000315936136 474874581 /nfs/dbraw/zinc/87/45/81/474874581.db2.gz RUSGZYMUAIWDMZ-DOMZBBRYSA-N -1 0 325.430 2.898 20 30 EFEDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000318296744 474890969 /nfs/dbraw/zinc/89/09/69/474890969.db2.gz MAUOUVFOPXBUOQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000318199882 474891005 /nfs/dbraw/zinc/89/10/05/474891005.db2.gz NXHGBWRZFULZMU-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COC(=O)c1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)o1 ZINC000268300408 474913830 /nfs/dbraw/zinc/91/38/30/474913830.db2.gz OEZNXTJZIQBSMN-UHFFFAOYSA-N -1 0 331.372 2.770 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000323972632 474958918 /nfs/dbraw/zinc/95/89/18/474958918.db2.gz IOWBPMRQKKMDMO-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1 ZINC000285311666 474967801 /nfs/dbraw/zinc/96/78/01/474967801.db2.gz SGZHQFVSMDGMDG-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(OC)c1 ZINC000324435518 474969343 /nfs/dbraw/zinc/96/93/43/474969343.db2.gz VUJPUHRRPBNMPC-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=CCOc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324750368 474976040 /nfs/dbraw/zinc/97/60/40/474976040.db2.gz SAPUOEOWJKJMBL-INIZCTEOSA-N -1 0 325.364 2.850 20 30 EFEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000279534182 474979759 /nfs/dbraw/zinc/97/97/59/474979759.db2.gz SNACHWPUIKSCRG-CYBMUJFWSA-N -1 0 332.791 2.899 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000261601444 474989423 /nfs/dbraw/zinc/98/94/23/474989423.db2.gz BKHLWFFUEWWDEH-CQSZACIVSA-N -1 0 341.289 2.906 20 30 EFEDRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279853813 474996830 /nfs/dbraw/zinc/99/68/30/474996830.db2.gz DZWJRUMAVWZLQU-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM Cc1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cnn1-c1cccc(C)c1 ZINC000345215528 474999534 /nfs/dbraw/zinc/99/95/34/474999534.db2.gz OCTYFBBCCKCLOI-UHFFFAOYSA-N -1 0 348.410 2.812 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000345223134 475005577 /nfs/dbraw/zinc/00/55/77/475005577.db2.gz BEFRTMVOFOBZLB-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000326840645 475013275 /nfs/dbraw/zinc/01/32/75/475013275.db2.gz OLSSMJXNUYLQND-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=CCc1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc(OC)c1OC ZINC000341207347 475028565 /nfs/dbraw/zinc/02/85/65/475028565.db2.gz OCQRSDCDWQKTKE-UHFFFAOYSA-N -1 0 339.395 2.774 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000341239999 475035520 /nfs/dbraw/zinc/03/55/20/475035520.db2.gz YLNOEWQCOKYMBZ-UHFFFAOYSA-N -1 0 327.356 2.777 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CCC)CC(=O)[O-])cc1OC ZINC000268888658 475053217 /nfs/dbraw/zinc/05/32/17/475053217.db2.gz HOXYJSQNVMRKPG-VQHVLOKHSA-N -1 0 333.384 2.596 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s[n-]1 ZINC000328760044 475054453 /nfs/dbraw/zinc/05/44/53/475054453.db2.gz XFFWMTORVQPYRN-AXFHLTTASA-N -1 0 336.461 2.541 20 30 EFEDRM Cc1cc(N2CCC(C(=O)Nc3ccccc3O)CC2)cc(C#N)n1 ZINC000341458445 475056688 /nfs/dbraw/zinc/05/66/88/475056688.db2.gz CSKBAAJNUMCDRG-UHFFFAOYSA-N -1 0 336.395 2.822 20 30 EFEDRM CC[C@@H](c1n[n-]c(=NC(=O)NCCCC#N)s1)c1ccccc1 ZINC000345281593 475057350 /nfs/dbraw/zinc/05/73/50/475057350.db2.gz QVZNEXRODOCOQZ-CYBMUJFWSA-N -1 0 329.429 2.927 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(C(C)C)CC3)cc2[n-]c1=S ZINC000293934705 475059210 /nfs/dbraw/zinc/05/92/10/475059210.db2.gz NFAMFLMWCHPTPB-UHFFFAOYSA-N -1 0 343.452 2.790 20 30 EFEDRM Cn1nc2c(c1C/N=C(/[O-])Cc1cn3ccsc3n1)CCCC2 ZINC000329612496 475098417 /nfs/dbraw/zinc/09/84/17/475098417.db2.gz KBVHFIKJENOQTB-UHFFFAOYSA-N -1 0 329.429 2.707 20 30 EFEDRM O=C1c2ccc([O-])c(F)c2C/C1=C/c1cnc(N2CCOCC2)s1 ZINC000287275174 475101265 /nfs/dbraw/zinc/10/12/65/475101265.db2.gz REBUMOFIHCQACC-YFHOEESVSA-N -1 0 346.383 2.647 20 30 EFEDRM Cc1nc(=NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)s[n-]1 ZINC000329776416 475130682 /nfs/dbraw/zinc/13/06/82/475130682.db2.gz OCESPIINOOYZJC-UHFFFAOYSA-N -1 0 348.472 2.770 20 30 EFEDRM Cc1n[n-]c(=NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1C ZINC000345395886 475158425 /nfs/dbraw/zinc/15/84/25/475158425.db2.gz SLNOZKSQWHTTDJ-UHFFFAOYSA-N -1 0 347.378 2.656 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C)ccc1NS(C)(=O)=O)OCC ZINC000339362447 475163131 /nfs/dbraw/zinc/16/31/31/475163131.db2.gz NOXPJNURGGMDDW-OAHLLOKOSA-N -1 0 340.445 2.676 20 30 EFEDRM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1csc(=O)[nH]1)C(F)(F)F ZINC000329981341 475179150 /nfs/dbraw/zinc/17/91/50/475179150.db2.gz NBLUHVZKIXWDRF-SECBINFHSA-N -1 0 334.323 2.807 20 30 EFEDRM CSc1nc(=NC(=O)NC[C@H]2CCC3(CCCCC3)O2)s[n-]1 ZINC000330126901 475201715 /nfs/dbraw/zinc/20/17/15/475201715.db2.gz MQTVKWCGTCQIET-SNVBAGLBSA-N -1 0 342.490 2.890 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1OC ZINC000262257698 475208675 /nfs/dbraw/zinc/20/86/75/475208675.db2.gz FLQWKDHIFYZTOY-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCNC(=O)C1CCCCC1)CC2 ZINC000330253710 475219196 /nfs/dbraw/zinc/21/91/96/475219196.db2.gz APWFCSNJAAAEGM-AWEZNQCLSA-N -1 0 336.432 2.627 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000262377849 475229135 /nfs/dbraw/zinc/22/91/35/475229135.db2.gz GNFNWFLQXARYRY-LBPRGKRZSA-N -1 0 341.354 2.749 20 30 EFEDRM COc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000361194654 475260846 /nfs/dbraw/zinc/26/08/46/475260846.db2.gz UNWVMEYPLRJSPW-SECBINFHSA-N -1 0 343.293 2.720 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000341746602 475269528 /nfs/dbraw/zinc/26/95/28/475269528.db2.gz XTYZIEMVZIPWHE-OZAJXLCCSA-N -1 0 342.420 2.552 20 30 EFEDRM CSc1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000337759130 475300343 /nfs/dbraw/zinc/30/03/43/475300343.db2.gz NUEGKVKHRYYUFZ-UHFFFAOYSA-N -1 0 336.442 2.858 20 30 EFEDRM Cc1ccc(C)c(S([O-])=CC(=O)NCc2cccc(C#N)c2)c1 ZINC000341795339 475308387 /nfs/dbraw/zinc/30/83/87/475308387.db2.gz DKYJYOAKCYNUAQ-HSZRJFAPSA-N -1 0 326.421 2.599 20 30 EFEDRM C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000331102172 475311277 /nfs/dbraw/zinc/31/12/77/475311277.db2.gz DMZGNDFYRIDEMS-LLVKDONJSA-N -1 0 349.387 2.999 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000347420491 475312160 /nfs/dbraw/zinc/31/21/60/475312160.db2.gz MYHNOWFAQMHJJL-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000331152732 475316507 /nfs/dbraw/zinc/31/65/07/475316507.db2.gz OSQRTBYUQWEFFW-MNOVXSKESA-N -1 0 326.466 2.645 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337780335 475318023 /nfs/dbraw/zinc/31/80/23/475318023.db2.gz SPNZEQFACRHJHR-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NC[C@](C)(O)C2CCCCC2)s[n-]1 ZINC000331180142 475320009 /nfs/dbraw/zinc/32/00/09/475320009.db2.gz RIBVEBOATQJFJH-INIZCTEOSA-N -1 0 340.493 2.915 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000337785152 475320525 /nfs/dbraw/zinc/32/05/25/475320525.db2.gz WQRMETMLZVVSRD-UHFFFAOYSA-N -1 0 341.314 2.503 20 30 EFEDRM CN(CCC#N)C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347730492 475336644 /nfs/dbraw/zinc/33/66/44/475336644.db2.gz JDFYGMANJUGZIP-UHFFFAOYSA-N -1 0 327.369 2.751 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC#N ZINC000337867537 475390053 /nfs/dbraw/zinc/39/00/53/475390053.db2.gz OVUPFWDEOZIHEH-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM CC[C@H](C)c1ncc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cn1 ZINC000358155186 475445295 /nfs/dbraw/zinc/44/52/95/475445295.db2.gz TYHWZRKYBDQGMM-VIFPVBQESA-N -1 0 343.412 2.937 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s[n-]1 ZINC000338014735 475508464 /nfs/dbraw/zinc/50/84/64/475508464.db2.gz DAPBLXVWRHBLHP-JTQLQIEISA-N -1 0 330.413 2.721 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000345983478 475548757 /nfs/dbraw/zinc/54/87/57/475548757.db2.gz RUCRMGFEHDQJFW-GXFFZTMASA-N -1 0 343.326 2.511 20 30 EFEDRM COCC[C@H]1CCCCN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1 ZINC000332247393 475573982 /nfs/dbraw/zinc/57/39/82/475573982.db2.gz XJDQLKPPTPUTPO-GFCCVEGCSA-N -1 0 349.456 2.660 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccc12 ZINC000342365171 475590496 /nfs/dbraw/zinc/59/04/96/475590496.db2.gz GTWLHRIFNSKWTI-GFCCVEGCSA-N -1 0 330.351 2.643 20 30 EFEDRM N#CCNC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000339924263 475615919 /nfs/dbraw/zinc/61/59/19/475615919.db2.gz CGVWRTVVVYUOFU-UHFFFAOYSA-N -1 0 345.573 2.791 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3cccc(C#N)c3)n2)n1 ZINC000342635985 475621044 /nfs/dbraw/zinc/62/10/44/475621044.db2.gz RIIXIHQPHBNRBA-AWEZNQCLSA-N -1 0 333.376 2.999 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000342830586 475645793 /nfs/dbraw/zinc/64/57/93/475645793.db2.gz XIQXJHXASKOOOW-SECBINFHSA-N -1 0 325.290 2.901 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338185593 475657910 /nfs/dbraw/zinc/65/79/10/475657910.db2.gz GGHJOYQWYNETNQ-UHFFFAOYSA-N -1 0 344.392 2.618 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000348453163 475675606 /nfs/dbraw/zinc/67/56/06/475675606.db2.gz JDIFNCRMLMQPQX-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nc2ccccc2o1 ZINC000353030439 475683699 /nfs/dbraw/zinc/68/36/99/475683699.db2.gz SPFSWCCARVMLEJ-CYBMUJFWSA-N -1 0 329.319 2.899 20 30 EFEDRM CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000358493952 475722789 /nfs/dbraw/zinc/72/27/89/475722789.db2.gz JFIGCASJVQDCLA-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM COCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)(C)C ZINC000338311261 475772527 /nfs/dbraw/zinc/77/25/27/475772527.db2.gz DAHIHQFDOGYYSI-GFCCVEGCSA-N -1 0 337.445 2.562 20 30 EFEDRM C=CCn1c(SCc2nnn[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000353266863 475817384 /nfs/dbraw/zinc/81/73/84/475817384.db2.gz WKNKIIWNIVXRJF-UHFFFAOYSA-N -1 0 333.808 2.590 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnn2C(C)C)n1 ZINC000361864695 475821032 /nfs/dbraw/zinc/82/10/32/475821032.db2.gz CYHIBHHOJJSYAD-JTQLQIEISA-N -1 0 332.385 2.587 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1[n-]nc(C)s1 ZINC000353356688 475897048 /nfs/dbraw/zinc/89/70/48/475897048.db2.gz SYVNXQYZXUGGNK-UHFFFAOYSA-N -1 0 334.449 2.656 20 30 EFEDRM C=C(C)CCc1noc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000349779377 475999736 /nfs/dbraw/zinc/99/97/36/475999736.db2.gz KFQQTIXGUQDJGU-UHFFFAOYSA-N -1 0 347.849 2.772 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000350125207 476059342 /nfs/dbraw/zinc/05/93/42/476059342.db2.gz DULLNIPQCUGHRS-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM CCc1oc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C(=O)OC ZINC000338628288 476063455 /nfs/dbraw/zinc/06/34/55/476063455.db2.gz ZDJXYAODZTYWQJ-LBPRGKRZSA-N -1 0 327.340 2.526 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000355838283 476065366 /nfs/dbraw/zinc/06/53/66/476065366.db2.gz GFMRYLTWXRRRSM-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3[nH]c(C)nc3c2)cc1C#N ZINC000353567710 476086382 /nfs/dbraw/zinc/08/63/82/476086382.db2.gz SJBHQNUPQDDNLZ-UHFFFAOYSA-N -1 0 339.380 2.818 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000343763700 476110622 /nfs/dbraw/zinc/11/06/22/476110622.db2.gz HMTCBLOATWWVKA-LLVKDONJSA-N -1 0 330.837 2.796 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)c1 ZINC000343841376 476122706 /nfs/dbraw/zinc/12/27/06/476122706.db2.gz SDLRFVWYIINUEQ-UHFFFAOYSA-N -1 0 326.665 2.695 20 30 EFEDRM CN=c1[n-]nc(SCc2ccc(Br)cc2C#N)s1 ZINC000343842551 476123099 /nfs/dbraw/zinc/12/30/99/476123099.db2.gz QJKDKULHGUHQOP-UHFFFAOYSA-N -1 0 341.259 2.928 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1C(=O)[O-] ZINC000336875482 476159633 /nfs/dbraw/zinc/15/96/33/476159633.db2.gz HJHAZEKEKJDQFJ-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)c(C)c1 ZINC000359072962 476165195 /nfs/dbraw/zinc/16/51/95/476165195.db2.gz IOXFDFWDDNUGLX-UHFFFAOYSA-N -1 0 348.453 2.587 20 30 EFEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357076640 476211103 /nfs/dbraw/zinc/21/11/03/476211103.db2.gz PDOSWDANKRJALJ-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000357081558 476215482 /nfs/dbraw/zinc/21/54/82/476215482.db2.gz VNZLSNUCCIVTDR-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CSc1c(F)cc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1F ZINC000357082414 476216574 /nfs/dbraw/zinc/21/65/74/476216574.db2.gz OFRGWDZQDDLTIL-UHFFFAOYSA-N -1 0 341.364 2.754 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccccc2CC#N)cc(C(=O)[O-])c1 ZINC000350512273 476223017 /nfs/dbraw/zinc/22/30/17/476223017.db2.gz HYPCIVBZILBYNP-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000357152093 476266185 /nfs/dbraw/zinc/26/61/85/476266185.db2.gz RANKTLNRRYFWMQ-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM COc1ccc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000353795721 476277065 /nfs/dbraw/zinc/27/70/65/476277065.db2.gz FLSYMSFRGBUMJM-JTQLQIEISA-N -1 0 343.408 2.880 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350640651 476278059 /nfs/dbraw/zinc/27/80/59/476278059.db2.gz XEJPJEKEGQBDHR-NSHDSACASA-N -1 0 336.417 2.523 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350655106 476282375 /nfs/dbraw/zinc/28/23/75/476282375.db2.gz WSRKJFQNZQMZKY-NSHDSACASA-N -1 0 348.428 2.554 20 30 EFEDRM C=CCn1c(-c2ccccc2F)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000350669112 476286632 /nfs/dbraw/zinc/28/66/32/476286632.db2.gz XOMNDDPKWMHNTM-UHFFFAOYSA-N -1 0 326.379 2.786 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000362519677 476294893 /nfs/dbraw/zinc/29/48/93/476294893.db2.gz NEDLAAYGRASWRP-VFZGTOFNSA-N -1 0 349.456 2.586 20 30 EFEDRM C=CCn1c(Cn2ccc3ccccc32)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350741424 476296216 /nfs/dbraw/zinc/29/62/16/476296216.db2.gz OZFMAQFGVCOQIL-UHFFFAOYSA-N -1 0 347.426 2.973 20 30 EFEDRM C=CCn1c(-c2cccc([N+](=O)[O-])c2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350753093 476297490 /nfs/dbraw/zinc/29/74/90/476297490.db2.gz WFNOZYWAYUFRBP-UHFFFAOYSA-N -1 0 339.359 2.545 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)c1C#N ZINC000357243181 476303112 /nfs/dbraw/zinc/30/31/12/476303112.db2.gz MHHQPMQVPYRVCG-UHFFFAOYSA-N -1 0 348.328 2.992 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2cccc(C)c2)cc1C#N ZINC000353860406 476304071 /nfs/dbraw/zinc/30/40/71/476304071.db2.gz GTQDHAXFXTXKSF-UHFFFAOYSA-N -1 0 327.409 2.961 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000362572239 476313718 /nfs/dbraw/zinc/31/37/18/476313718.db2.gz GESYSEFXCFTTFR-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM CNC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000353894600 476315945 /nfs/dbraw/zinc/31/59/45/476315945.db2.gz MYHRBJABVVZPQZ-NSHDSACASA-N -1 0 328.397 2.511 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1C#N ZINC000357343018 476339417 /nfs/dbraw/zinc/33/94/17/476339417.db2.gz MMHNSOFHUSBDHJ-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(Cl)c1 ZINC000362662584 476344382 /nfs/dbraw/zinc/34/43/82/476344382.db2.gz JMTKCWDXGRWESI-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000353984034 476346911 /nfs/dbraw/zinc/34/69/11/476346911.db2.gz PNESMKOSXYTJNS-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000351165837 476350110 /nfs/dbraw/zinc/35/01/10/476350110.db2.gz LVDSXKLMNZYUDV-UHFFFAOYSA-N -1 0 339.359 2.545 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000362689904 476351946 /nfs/dbraw/zinc/35/19/46/476351946.db2.gz DMDOVARCVBZFSF-ACJLOTCBSA-N -1 0 338.363 2.515 20 30 EFEDRM COc1ccc2c(c1OC)O/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000369048382 476387494 /nfs/dbraw/zinc/38/74/94/476387494.db2.gz ONKYMXCOJYVLAV-ZSOIEALJSA-N -1 0 343.291 2.934 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357457457 476397360 /nfs/dbraw/zinc/39/73/60/476397360.db2.gz VXSMSXOLKOQKGI-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccncc2)cs1 ZINC000354148115 476461461 /nfs/dbraw/zinc/46/14/61/476461461.db2.gz HNTPWGAVEJBAOG-JTQLQIEISA-N -1 0 339.336 2.931 20 30 EFEDRM C=CCCCC[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000351570200 476481679 /nfs/dbraw/zinc/48/16/79/476481679.db2.gz ZJQLXYAPAKJUSV-UHFFFAOYSA-N -1 0 339.280 2.849 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC000352191282 476537839 /nfs/dbraw/zinc/53/78/39/476537839.db2.gz FWGZCUOUQYYYJB-UHFFFAOYSA-N -1 0 345.420 2.993 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000352191753 476538827 /nfs/dbraw/zinc/53/88/27/476538827.db2.gz INCMGQSWECOWJC-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM C=CCCCCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000354288250 476562574 /nfs/dbraw/zinc/56/25/74/476562574.db2.gz XDXOQFBWEDBOIC-UHFFFAOYSA-N -1 0 330.837 2.798 20 30 EFEDRM COc1ccc2c(c1)O/C(=C/c1cccc(OCC(=O)[O-])c1)C2=O ZINC000363313424 476647617 /nfs/dbraw/zinc/64/76/17/476647617.db2.gz GUFPLTVLJOXQPG-LZYBPNLTSA-N -1 0 326.304 2.775 20 30 EFEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000354463347 476675606 /nfs/dbraw/zinc/67/56/06/476675606.db2.gz HYJFAMPIQAZBGE-GFCCVEGCSA-N -1 0 339.380 2.585 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000451906267 476715025 /nfs/dbraw/zinc/71/50/25/476715025.db2.gz SWOAATSFFAOXQO-MNOVXSKESA-N -1 0 337.775 2.630 20 30 EFEDRM COc1ccc(CNCC2(CC#N)CC2)c(Br)c1O ZINC000430037494 476740078 /nfs/dbraw/zinc/74/00/78/476740078.db2.gz IHBIXNHDBLKVOQ-UHFFFAOYSA-N -1 0 325.206 2.947 20 30 EFEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000430520867 476846939 /nfs/dbraw/zinc/84/69/39/476846939.db2.gz PMJYOPJNSJLMRQ-NSHDSACASA-N -1 0 337.408 2.965 20 30 EFEDRM CNC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430602225 476878661 /nfs/dbraw/zinc/87/86/61/476878661.db2.gz GOKDKGJQYKVERJ-LLVKDONJSA-N -1 0 342.424 2.685 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000446786375 476920840 /nfs/dbraw/zinc/92/08/40/476920840.db2.gz OULPHVKVWRSSPH-UHFFFAOYSA-N -1 0 338.820 2.931 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457298356 476962196 /nfs/dbraw/zinc/96/21/96/476962196.db2.gz SMDGIRYFIYXUBV-UHFFFAOYSA-N -1 0 348.353 2.969 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000431181603 476991682 /nfs/dbraw/zinc/99/16/82/476991682.db2.gz MIYOQAZJAUGADX-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431194354 476994035 /nfs/dbraw/zinc/99/40/35/476994035.db2.gz SMUOQYYXYWEEFG-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000431214926 476995765 /nfs/dbraw/zinc/99/57/65/476995765.db2.gz YOCBUBZEDAGKGQ-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccsc2Br)[n-]1 ZINC000410536825 477015418 /nfs/dbraw/zinc/01/54/18/477015418.db2.gz ABFNFCLLWOQWGJ-UHFFFAOYSA-N -1 0 339.218 2.834 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)[C@H]2OCCc3sccc32)[n-]1 ZINC000410538528 477017069 /nfs/dbraw/zinc/01/70/69/477017069.db2.gz HHOCONDSGOWCDQ-IAQYHMDHSA-N -1 0 344.440 2.708 20 30 EFEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000416172971 477053108 /nfs/dbraw/zinc/05/31/08/477053108.db2.gz ZKFCINZPTSYCSE-SNVBAGLBSA-N -1 0 329.169 2.962 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000431647893 477067787 /nfs/dbraw/zinc/06/77/87/477067787.db2.gz MIJPTFVHKYNPSD-UHFFFAOYSA-N -1 0 345.351 2.790 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(Cl)ccc2OC(F)F)c1C#N ZINC000431662495 477070396 /nfs/dbraw/zinc/07/03/96/477070396.db2.gz QUIDRUSDYHWSAL-UHFFFAOYSA-N -1 0 326.690 2.519 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C(=O)N=c3[nH][n-]c(C)c3C#N)s2)o1 ZINC000431679439 477073023 /nfs/dbraw/zinc/07/30/23/477073023.db2.gz CANXGYVQWPQXRM-UHFFFAOYSA-N -1 0 327.369 2.597 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1C#N ZINC000431683621 477075080 /nfs/dbraw/zinc/07/50/80/477075080.db2.gz BOAIHRFMRRGXNP-QMMMGPOBSA-N -1 0 339.182 2.725 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC000431688011 477076357 /nfs/dbraw/zinc/07/63/57/477076357.db2.gz SEKFGUIHRMKFGK-SECBINFHSA-N -1 0 336.317 2.848 20 30 EFEDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2)n[nH]1 ZINC000366615621 477098094 /nfs/dbraw/zinc/09/80/94/477098094.db2.gz BUVKFUHIBAHPIB-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc4ccccn4n3)on2)c1 ZINC000448328243 477160548 /nfs/dbraw/zinc/16/05/48/477160548.db2.gz CSIRYGOTHXGECG-UHFFFAOYSA-N -1 0 330.307 2.508 20 30 EFEDRM N#Cc1c(C#N)c2c(nc1NCCCCCC(=O)[O-])CCCCCC2 ZINC000416428782 477172884 /nfs/dbraw/zinc/17/28/84/477172884.db2.gz SHPCETOEVJAEAL-UHFFFAOYSA-N -1 0 340.427 2.963 20 30 EFEDRM N#CCC1(CNC(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000432274582 477188188 /nfs/dbraw/zinc/18/81/88/477188188.db2.gz LQAHJIHNLDIKLA-ARJAWSKDSA-N -1 0 329.385 2.539 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(F)c1 ZINC000416501872 477190335 /nfs/dbraw/zinc/19/03/35/477190335.db2.gz NDWMZZJGKOLLLS-UHFFFAOYSA-N -1 0 336.310 2.550 20 30 EFEDRM C=CCc1cc(CN=c2[n-]nc(C(F)F)o2)cc(OC)c1OC ZINC000432333894 477196949 /nfs/dbraw/zinc/19/69/49/477196949.db2.gz DGXXISPAVDCDAL-UHFFFAOYSA-N -1 0 325.315 2.787 20 30 EFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3cccs3)n2)c(F)c1 ZINC000376279127 477265900 /nfs/dbraw/zinc/26/59/00/477265900.db2.gz CEHXFEBNYPGENF-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OCC(F)(F)F ZINC000416934374 477376512 /nfs/dbraw/zinc/37/65/12/477376512.db2.gz DIPDPAAZHXMBPZ-JTQLQIEISA-N -1 0 336.335 2.980 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OCC(F)(F)F ZINC000416934375 477376614 /nfs/dbraw/zinc/37/66/14/477376614.db2.gz DIPDPAAZHXMBPZ-SNVBAGLBSA-N -1 0 336.335 2.980 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)NC(C)C ZINC000416937040 477377151 /nfs/dbraw/zinc/37/71/51/477377151.db2.gz ILYQNBQWVLSSSQ-NSHDSACASA-N -1 0 343.836 2.522 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)Nc1ccc(-n2cccc2C(=O)[O-])c(C)c1 ZINC000416940302 477378626 /nfs/dbraw/zinc/37/86/26/477378626.db2.gz OWKKICILLMUERG-CYBMUJFWSA-N -1 0 347.396 2.528 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000416949579 477382567 /nfs/dbraw/zinc/38/25/67/477382567.db2.gz HIWBHWSJYGHEHR-ZDUSSCGKSA-N -1 0 346.412 2.966 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000416947910 477382746 /nfs/dbraw/zinc/38/27/46/477382746.db2.gz YOIQCEOHWHDLFI-JTQLQIEISA-N -1 0 342.327 2.718 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C)CC1 ZINC000416947267 477383255 /nfs/dbraw/zinc/38/32/55/477383255.db2.gz XUGHNFNNDAYOJA-CQSZACIVSA-N -1 0 349.456 2.603 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCCc2ccccc2)nc1 ZINC000416965819 477391516 /nfs/dbraw/zinc/39/15/16/477391516.db2.gz XVLFIACTBWCRSA-INIZCTEOSA-N -1 0 345.424 2.747 20 30 EFEDRM CC(C)(CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000424402322 477392056 /nfs/dbraw/zinc/39/20/56/477392056.db2.gz GPZRFDAPBFSYCI-UHFFFAOYSA-N -1 0 329.400 2.733 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000416965803 477392524 /nfs/dbraw/zinc/39/25/24/477392524.db2.gz XTTXCVAQJZUKGZ-ZETCQYMHSA-N -1 0 339.161 2.771 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1Cl ZINC000371589281 477400061 /nfs/dbraw/zinc/40/00/61/477400061.db2.gz STDHANCOUFUVSI-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM CSc1ccccc1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1 ZINC000436170671 477434533 /nfs/dbraw/zinc/43/45/33/477434533.db2.gz KDQATRRWQDNHFT-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM COCCN=c1[n-]nc(SCCC2(C#N)CCCCC2)s1 ZINC000412983143 477462504 /nfs/dbraw/zinc/46/25/04/477462504.db2.gz MJLPEOLFOVIZQU-UHFFFAOYSA-N -1 0 326.491 2.975 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000455148164 477519627 /nfs/dbraw/zinc/51/96/27/477519627.db2.gz AYASLNXVFIGHKT-CQSZACIVSA-N -1 0 346.456 2.692 20 30 EFEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000436697424 477561923 /nfs/dbraw/zinc/56/19/23/477561923.db2.gz MVTIBNPKBHDYOV-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000436881386 477624297 /nfs/dbraw/zinc/62/42/97/477624297.db2.gz NMOIBEOPYKQLFS-MRXNPFEDSA-N -1 0 333.347 2.787 20 30 EFEDRM Cc1cn(C)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000420237268 477645284 /nfs/dbraw/zinc/64/52/84/477645284.db2.gz LJIGQTRWXXHCIY-SNVBAGLBSA-N -1 0 329.310 2.963 20 30 EFEDRM C=CCN=c1[n-]nc(SCC(=O)CC[C@H]2CCCCO2)s1 ZINC000450608385 477652119 /nfs/dbraw/zinc/65/21/19/477652119.db2.gz JANBOKZGHUFHTP-GFCCVEGCSA-N -1 0 327.475 2.568 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1CC#N ZINC000451058359 477806360 /nfs/dbraw/zinc/80/63/60/477806360.db2.gz VGNWDLVQKDZRTB-UHFFFAOYSA-N -1 0 338.820 2.557 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000493830759 477847596 /nfs/dbraw/zinc/84/75/96/477847596.db2.gz YSZYMXZKBCYLBU-YFHOEESVSA-N -1 0 336.347 2.868 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000531653037 477908190 /nfs/dbraw/zinc/90/81/90/477908190.db2.gz WPPZTSFYCDWNIL-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000531907626 477914007 /nfs/dbraw/zinc/91/40/07/477914007.db2.gz RPENNARUYLDBAM-UHFFFAOYSA-N -1 0 343.408 2.787 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1Cl ZINC000532417388 477924953 /nfs/dbraw/zinc/92/49/53/477924953.db2.gz AMDPVEFSOGMCGQ-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM C[C@H](Cc1cncc2ccccc21)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000516335273 477925813 /nfs/dbraw/zinc/92/58/13/477925813.db2.gz HEFKEMKZFSWRSK-GFCCVEGCSA-N -1 0 345.406 2.946 20 30 EFEDRM Cn1nnc2c1nccc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000558906536 477940905 /nfs/dbraw/zinc/94/09/05/477940905.db2.gz KQSYPJXQIANSLH-SNVBAGLBSA-N -1 0 340.412 2.607 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000494298791 477962006 /nfs/dbraw/zinc/96/20/06/477962006.db2.gz KDNKWFSFUFYPKZ-NSHDSACASA-N -1 0 348.403 2.873 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000559257654 477971328 /nfs/dbraw/zinc/97/13/28/477971328.db2.gz VYXAOXBSEFOFTO-UHFFFAOYSA-N -1 0 333.351 2.539 20 30 EFEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cccc(CC#N)c1 ZINC000421147841 477982450 /nfs/dbraw/zinc/98/24/50/477982450.db2.gz FTCMFKVIWJOFIW-SFHVURJKSA-N -1 0 344.436 2.752 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NC1CCC(CCCC)CC1)C(=O)[O-] ZINC000559579168 477992293 /nfs/dbraw/zinc/99/22/93/477992293.db2.gz NREHBMWBGQZAHK-YMAMQOFZSA-N -1 0 326.437 2.690 20 30 EFEDRM CCC[C@@H](CCCCNS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000559797447 478000800 /nfs/dbraw/zinc/00/08/00/478000800.db2.gz CYNQIFPRIOLMHS-NSHDSACASA-N -1 0 344.458 2.569 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)nn1CCC#N ZINC000471971750 478013354 /nfs/dbraw/zinc/01/33/54/478013354.db2.gz XCOJBCUFFLDFEJ-UHFFFAOYSA-N -1 0 347.375 2.526 20 30 EFEDRM N#Cc1ccccc1SCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000439713732 478020969 /nfs/dbraw/zinc/02/09/69/478020969.db2.gz JMFKWFZXHOTSBX-UHFFFAOYSA-N -1 0 329.406 2.672 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481958389 478026536 /nfs/dbraw/zinc/02/65/36/478026536.db2.gz JIWSAYYDPNKRFO-CYBMUJFWSA-N -1 0 346.456 2.550 20 30 EFEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000494659174 478036895 /nfs/dbraw/zinc/03/68/95/478036895.db2.gz NDYBXTHODCUWDE-JTQLQIEISA-N -1 0 336.392 2.871 20 30 EFEDRM Cc1n[n-]c(=NC(=O)c2sc3ccc(C#N)cc3c2C)n1C1CC1 ZINC000517242923 478070779 /nfs/dbraw/zinc/07/07/79/478070779.db2.gz UJMUJOGOXSOTFB-UHFFFAOYSA-N -1 0 337.408 2.990 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H]1SCCc2ccccc21)C(=O)[O-] ZINC000560487609 478093767 /nfs/dbraw/zinc/09/37/67/478093767.db2.gz LAWUZTRNHFYHSY-CABCVRRESA-N -1 0 334.441 2.736 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000533992324 478121945 /nfs/dbraw/zinc/12/19/45/478121945.db2.gz JFYKKEHBPVIEJV-JTQLQIEISA-N -1 0 341.396 2.668 20 30 EFEDRM C=CCCS(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000518056490 478141035 /nfs/dbraw/zinc/14/10/35/478141035.db2.gz VIHVUOINTYYPSF-RDJZCZTQSA-N -1 0 337.441 2.534 20 30 EFEDRM N#CC1(F)CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000451664936 478148702 /nfs/dbraw/zinc/14/87/02/478148702.db2.gz CZYHPDWGRBNIEK-UHFFFAOYSA-N -1 0 345.143 2.762 20 30 EFEDRM C[C@@H](C#N)CNC(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000518244558 478154167 /nfs/dbraw/zinc/15/41/67/478154167.db2.gz TYPQOYJUGHZGAK-DKHPWKACSA-N -1 0 345.472 2.709 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C1CC1 ZINC000534971164 478181249 /nfs/dbraw/zinc/18/12/49/478181249.db2.gz ADFHHARDCFOBSQ-NSHDSACASA-N -1 0 345.428 2.799 20 30 EFEDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000495486860 478207236 /nfs/dbraw/zinc/20/72/36/478207236.db2.gz KNPDLWQWFCYRBM-UHFFFAOYSA-N -1 0 331.353 2.537 20 30 EFEDRM CC(C)(C)OC(=O)NCc1cc(C([O-])=C(C#N)c2ccncn2)co1 ZINC000495524119 478217679 /nfs/dbraw/zinc/21/76/79/478217679.db2.gz IBZXLGQCYQIERM-ZDUSSCGKSA-N -1 0 342.355 2.584 20 30 EFEDRM CC(C)(C)OC(=O)NCc1cc(C([O-])=C(C#N)c2ccncn2)co1 ZINC000495524116 478217904 /nfs/dbraw/zinc/21/79/04/478217904.db2.gz IBZXLGQCYQIERM-CYBMUJFWSA-N -1 0 342.355 2.584 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc12 ZINC000535767243 478228589 /nfs/dbraw/zinc/22/85/89/478228589.db2.gz XRHGTASRFFNNTO-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#C[C@@H](Sc1n[n-]c(=NC[C@H]2CCCO2)s1)c1ccccc1 ZINC000519604834 478239645 /nfs/dbraw/zinc/23/96/45/478239645.db2.gz DVSRIKPMOZXEBT-CHWSQXEVSA-N -1 0 332.454 2.908 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)NCC(C)(C)CCC#N)cc2=O)cc1 ZINC000489911800 478286234 /nfs/dbraw/zinc/28/62/34/478286234.db2.gz OOYWTEBNTLRQBL-UHFFFAOYSA-N -1 0 326.400 2.534 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000562648950 478297298 /nfs/dbraw/zinc/29/72/98/478297298.db2.gz WWPBEHQFXGKMHQ-LBPRGKRZSA-N -1 0 328.315 2.507 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000562647530 478297517 /nfs/dbraw/zinc/29/75/17/478297517.db2.gz CNOAJFOFMCSMNA-GFCCVEGCSA-N -1 0 328.315 2.507 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000562647191 478297580 /nfs/dbraw/zinc/29/75/80/478297580.db2.gz AUWJSBWNNSUNID-WCQYABFASA-N -1 0 348.424 2.917 20 30 EFEDRM CC(C)(C)[C@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597350051 478305620 /nfs/dbraw/zinc/30/56/20/478305620.db2.gz FZMHDFLWSDNYQJ-ZDUSSCGKSA-N -1 0 334.326 2.524 20 30 EFEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597350050 478306524 /nfs/dbraw/zinc/30/65/24/478306524.db2.gz FZMHDFLWSDNYQJ-CYBMUJFWSA-N -1 0 334.326 2.524 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)nc1 ZINC000590745042 478314282 /nfs/dbraw/zinc/31/42/82/478314282.db2.gz XIYFUABAHDPOIO-UHFFFAOYSA-N -1 0 334.376 2.631 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000590745205 478314698 /nfs/dbraw/zinc/31/46/98/478314698.db2.gz QSFANWIDYQKMEY-UHFFFAOYSA-N -1 0 332.429 2.948 20 30 EFEDRM C[C@]1(C#N)CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000590755204 478320973 /nfs/dbraw/zinc/32/09/73/478320973.db2.gz XULPTRBKYYZVEH-CYBMUJFWSA-N -1 0 348.346 2.725 20 30 EFEDRM Cc1ccc(=NN=C[C@@H](CC2CCC2)NC(=O)OC(C)(C)C)[n-]n1 ZINC000495788541 478323187 /nfs/dbraw/zinc/32/31/87/478323187.db2.gz SIIBSDRNPBPRIM-CQSZACIVSA-N -1 0 333.436 2.688 20 30 EFEDRM Cc1ccc(=NN=C[C@H](CC2CCC2)NC(=O)OC(C)(C)C)[n-]n1 ZINC000495788540 478324410 /nfs/dbraw/zinc/32/44/10/478324410.db2.gz SIIBSDRNPBPRIM-AWEZNQCLSA-N -1 0 333.436 2.688 20 30 EFEDRM COCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@H]1CCC[C@H]1C ZINC000490336502 478332340 /nfs/dbraw/zinc/33/23/40/478332340.db2.gz QSWIMNADDYPOLS-RISCZKNCSA-N -1 0 349.456 2.658 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1CC1CC1 ZINC000597427312 478346025 /nfs/dbraw/zinc/34/60/25/478346025.db2.gz VMKOXXBARLASRK-UHFFFAOYSA-N -1 0 347.426 2.743 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000579832996 478348831 /nfs/dbraw/zinc/34/88/31/478348831.db2.gz CWPDNSXJILXYPD-UHFFFAOYSA-N -1 0 349.330 2.743 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc(OC)c1OC ZINC000580332450 478359690 /nfs/dbraw/zinc/35/96/90/478359690.db2.gz USHKXIYSUATUFQ-CWTRNNRKSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CC1 ZINC000580427809 478362573 /nfs/dbraw/zinc/36/25/73/478362573.db2.gz PWJNPSSMGPVPBN-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@H](c2cccc(C)c2)[C@H]1C(=O)[O-] ZINC000580513154 478364112 /nfs/dbraw/zinc/36/41/12/478364112.db2.gz ISXVCAZJGPKVHY-CVEARBPZSA-N -1 0 337.441 2.534 20 30 EFEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000490652547 478365588 /nfs/dbraw/zinc/36/55/88/478365588.db2.gz RKFFJTUGTXTMGW-HNNXBMFYSA-N -1 0 343.383 2.636 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000580689230 478367053 /nfs/dbraw/zinc/36/70/53/478367053.db2.gz GOFATZUJMBXGAM-OAHLLOKOSA-N -1 0 346.408 2.938 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](OC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570492401 478369651 /nfs/dbraw/zinc/36/96/51/478369651.db2.gz FNXNJQBGOXFLDL-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCNC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000581242217 478376425 /nfs/dbraw/zinc/37/64/25/478376425.db2.gz YHIIYYWAQIMWQO-UHFFFAOYSA-N -1 0 333.391 2.938 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1 ZINC000495872375 478376522 /nfs/dbraw/zinc/37/65/22/478376522.db2.gz DPBWGSXBGSBQRY-NSHDSACASA-N -1 0 348.403 2.873 20 30 EFEDRM C=CCOC[C@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000562920513 478380730 /nfs/dbraw/zinc/38/07/30/478380730.db2.gz SRIWRQJDVUPNEJ-OSJSJHBBSA-N -1 0 331.412 2.985 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000523530292 478386980 /nfs/dbraw/zinc/38/69/80/478386980.db2.gz LKCXSDARNDITCS-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C(F)F ZINC000524076968 478388536 /nfs/dbraw/zinc/38/85/36/478388536.db2.gz MKKAFOGOGZARDD-VIFPVBQESA-N -1 0 329.310 2.734 20 30 EFEDRM C=CCCCCCN(C)C(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000525345203 478393450 /nfs/dbraw/zinc/39/34/50/478393450.db2.gz KHZZBSIDZCKPFN-UHFFFAOYSA-N -1 0 327.432 2.958 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCCOc2cc(F)ccc21)C(=O)[O-] ZINC000562974674 478398877 /nfs/dbraw/zinc/39/88/77/478398877.db2.gz TXSWMSNOFQDILP-KBPBESRZSA-N -1 0 336.363 2.758 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000594463470 478398857 /nfs/dbraw/zinc/39/88/57/478398857.db2.gz PWVQUEYVLMLKRN-NSHDSACASA-N -1 0 340.355 2.854 20 30 EFEDRM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc2N(C)C1=O ZINC000525951128 478399136 /nfs/dbraw/zinc/39/91/36/478399136.db2.gz PUFOPXNSQSQXBG-LBPRGKRZSA-N -1 0 335.363 2.523 20 30 EFEDRM C=CCOc1cccnc1C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000570637834 478405184 /nfs/dbraw/zinc/40/51/84/478405184.db2.gz ZNMAPBAEIQCCOU-UHFFFAOYSA-N -1 0 338.367 2.921 20 30 EFEDRM C=CCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000581645394 478406775 /nfs/dbraw/zinc/40/67/75/478406775.db2.gz WTMPYZMJNHSNBT-GFCCVEGCSA-N -1 0 346.811 2.823 20 30 EFEDRM C[C@@H](NC(=O)NCC1CCC(C#N)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594528536 478425884 /nfs/dbraw/zinc/42/58/84/478425884.db2.gz LYJVGZFQRMZRLR-NNZPWHBESA-N -1 0 335.448 2.751 20 30 EFEDRM C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594536839 478428380 /nfs/dbraw/zinc/42/83/80/478428380.db2.gz JHPWBNGJTYANKV-VBNZEHGJSA-N -1 0 343.427 2.835 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1nc2cc(F)ccc2s1 ZINC000527596851 478438026 /nfs/dbraw/zinc/43/80/26/478438026.db2.gz WOOCQKXGDYMYHH-VIFPVBQESA-N -1 0 343.339 2.986 20 30 EFEDRM C#C[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(Cl)cc1F ZINC000491096557 478441383 /nfs/dbraw/zinc/44/13/83/478441383.db2.gz ULTJHAIHLBDOKP-ZDUSSCGKSA-N -1 0 349.797 2.744 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)OC)c1 ZINC000491143975 478451484 /nfs/dbraw/zinc/45/14/84/478451484.db2.gz ZRPYOSFAWOAVQI-OAHLLOKOSA-N -1 0 345.399 2.884 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000491149161 478454794 /nfs/dbraw/zinc/45/47/94/478454794.db2.gz ZBNALQBPEXZDHD-UHFFFAOYSA-N -1 0 345.402 2.750 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC)c2ccccc12 ZINC000600663347 478458048 /nfs/dbraw/zinc/45/80/48/478458048.db2.gz DUTPGEAUVFEPOD-NSHDSACASA-N -1 0 332.381 2.670 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000491209715 478472234 /nfs/dbraw/zinc/47/22/34/478472234.db2.gz KTUDVQVQFMQLGH-JTQLQIEISA-N -1 0 337.301 2.690 20 30 EFEDRM C[C@@](CC(=O)NCCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000594662208 478484067 /nfs/dbraw/zinc/48/40/67/478484067.db2.gz WQQANVZHZSMGOZ-FQEVSTJZSA-N -1 0 336.391 2.650 20 30 EFEDRM C[C@](CC(=O)NCCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000594662209 478484281 /nfs/dbraw/zinc/48/42/81/478484281.db2.gz WQQANVZHZSMGOZ-HXUWFJFHSA-N -1 0 336.391 2.650 20 30 EFEDRM N#CC1(CNC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCCCC1 ZINC000594689760 478495478 /nfs/dbraw/zinc/49/54/78/478495478.db2.gz AQFCWGIIKQEPAE-MRXNPFEDSA-N -1 0 341.411 2.682 20 30 EFEDRM N#CC1(CNC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CCCCC1 ZINC000594690625 478496338 /nfs/dbraw/zinc/49/63/38/478496338.db2.gz MEGFIFNSSLKSIF-KFWWJZLASA-N -1 0 333.432 2.888 20 30 EFEDRM COc1cccc([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000594690711 478496342 /nfs/dbraw/zinc/49/63/42/478496342.db2.gz NSKWTVQXFASJDO-HNNXBMFYSA-N -1 0 345.399 2.594 20 30 EFEDRM CN(C(=O)NCC1(C#N)CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000594690499 478496647 /nfs/dbraw/zinc/49/66/47/478496647.db2.gz JYTSWOBPLHOKLA-MRXNPFEDSA-N -1 0 343.427 2.798 20 30 EFEDRM C=CCCSCCNC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000594690597 478496685 /nfs/dbraw/zinc/49/66/85/478496685.db2.gz LSXYNFTWMDPPAU-OAHLLOKOSA-N -1 0 334.441 2.517 20 30 EFEDRM C=CCCSCCNC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000594691595 478497906 /nfs/dbraw/zinc/49/79/06/478497906.db2.gz WNARSCOXIAYYRD-OAHLLOKOSA-N -1 0 336.457 2.633 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1 ZINC000594719959 478512962 /nfs/dbraw/zinc/51/29/62/478512962.db2.gz AJFWRYXATQDQKP-JTQLQIEISA-N -1 0 334.401 2.568 20 30 EFEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@H]1C(=O)[O-] ZINC000600802839 478527036 /nfs/dbraw/zinc/52/70/36/478527036.db2.gz VBKAJPRYMMRFFV-BXKDBHETSA-N -1 0 331.322 2.932 20 30 EFEDRM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C[C@H](c2ccccc2)C1 ZINC000591338172 478527221 /nfs/dbraw/zinc/52/72/21/478527221.db2.gz QUNHNRZFVQSDQU-YSVLISHTSA-N -1 0 337.427 2.808 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000594756078 478531201 /nfs/dbraw/zinc/53/12/01/478531201.db2.gz BHKFWZKETLVTMJ-CVEARBPZSA-N -1 0 342.420 2.853 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000594756079 478531461 /nfs/dbraw/zinc/53/14/61/478531461.db2.gz BHKFWZKETLVTMJ-HOTGVXAUSA-N -1 0 342.420 2.853 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCCCCC(=O)[O-])c1 ZINC000591353140 478533644 /nfs/dbraw/zinc/53/36/44/478533644.db2.gz QXOKCFXUIWECEW-UHFFFAOYSA-N -1 0 327.287 2.536 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C(=O)[O-] ZINC000571164192 478534444 /nfs/dbraw/zinc/53/44/44/478534444.db2.gz MDIFAQXJDSWUDW-CJNGLKHVSA-N -1 0 334.416 2.592 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncnc3cccc(OC)c32)s1 ZINC000541172992 478539259 /nfs/dbraw/zinc/53/92/59/478539259.db2.gz KHGQHZUVBULSIK-UHFFFAOYSA-N -1 0 331.426 2.661 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496117562 478548735 /nfs/dbraw/zinc/54/87/35/478548735.db2.gz AHSVLTSARINUKT-FPMFFAJLSA-N -1 0 336.388 2.872 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](CC#N)C2)n1 ZINC000597900095 478565722 /nfs/dbraw/zinc/56/57/22/478565722.db2.gz IRHKVVAKQCFCFC-AWEZNQCLSA-N -1 0 338.411 2.906 20 30 EFEDRM C=CC[C@@]1(C(=O)[N-]OCC(F)F)CCCN1C(=O)OC(C)(C)C ZINC000496186736 478595163 /nfs/dbraw/zinc/59/51/63/478595163.db2.gz OEPDLZBPCXCFDM-HNNXBMFYSA-N -1 0 334.363 2.645 20 30 EFEDRM N#Cc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1 ZINC000600983920 478596989 /nfs/dbraw/zinc/59/69/89/478596989.db2.gz MTRBHDPNUICQIH-MSOLQXFVSA-N -1 0 349.390 2.615 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccc(C)cc3C2)cc1C#N ZINC000597966311 478598290 /nfs/dbraw/zinc/59/82/90/478598290.db2.gz TYJDGRYQCQGVQJ-UHFFFAOYSA-N -1 0 339.420 2.888 20 30 EFEDRM C=CCCSCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000597968187 478599896 /nfs/dbraw/zinc/59/98/96/478599896.db2.gz OINXMZPHAOWBEL-UHFFFAOYSA-N -1 0 335.404 2.756 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000563619987 478603097 /nfs/dbraw/zinc/60/30/97/478603097.db2.gz FMAGKXGLPFNULX-OAHLLOKOSA-N -1 0 345.848 2.916 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000582484329 478608844 /nfs/dbraw/zinc/60/88/44/478608844.db2.gz IJZHZJHUHQHONI-OAHLLOKOSA-N -1 0 339.457 2.995 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000491645009 478614539 /nfs/dbraw/zinc/61/45/39/478614539.db2.gz MNTLPSGNRZBNBD-LLVKDONJSA-N -1 0 330.413 2.559 20 30 EFEDRM C#C[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(F)cc1 ZINC000491673541 478626836 /nfs/dbraw/zinc/62/68/36/478626836.db2.gz QHKJEXLRMXCESX-JTQLQIEISA-N -1 0 339.442 2.549 20 30 EFEDRM C#C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(F)cc1 ZINC000491673542 478627338 /nfs/dbraw/zinc/62/73/38/478627338.db2.gz QHKJEXLRMXCESX-SNVBAGLBSA-N -1 0 339.442 2.549 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCC1=NNCC(=O)[O-] ZINC000496291707 478644880 /nfs/dbraw/zinc/64/48/80/478644880.db2.gz GTGKWMWZAWWMSU-OCCSQVGLSA-N -1 0 339.436 2.606 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1OC ZINC000571685898 478655263 /nfs/dbraw/zinc/65/52/63/478655263.db2.gz QGTGBHPHFPVTGR-OCCSQVGLSA-N -1 0 335.400 2.879 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OC/C=C\Cl)CCCN1C(=O)OC(C)(C)C ZINC000496467990 478660798 /nfs/dbraw/zinc/66/07/98/478660798.db2.gz BZFHAZKNBMZUBL-BSDKJSHOSA-N -1 0 342.823 2.580 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(CC(N=Nc3ccc(C(=O)[O-])nc3)C2)C1 ZINC000496488002 478663537 /nfs/dbraw/zinc/66/35/37/478663537.db2.gz FLZFSWVNAYTIBI-UHFFFAOYSA-N -1 0 346.387 2.579 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000582710225 478664406 /nfs/dbraw/zinc/66/44/06/478664406.db2.gz ISEOPSSWNAFFSU-MRXNPFEDSA-N -1 0 334.416 2.735 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OC)cc1Br)C(=O)[O-] ZINC000571748032 478667079 /nfs/dbraw/zinc/66/70/79/478667079.db2.gz NNCJRFZHRFDEFJ-LBPRGKRZSA-N -1 0 342.189 2.607 20 30 EFEDRM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(C(=O)[O-])nc1 ZINC000496551919 478668422 /nfs/dbraw/zinc/66/84/22/478668422.db2.gz PGSXANNHJNPCDD-UHFFFAOYSA-N -1 0 336.392 2.823 20 30 EFEDRM C[C@@H](C#N)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000598135342 478673919 /nfs/dbraw/zinc/67/39/19/478673919.db2.gz STCUOTHLRKNTEX-JTQLQIEISA-N -1 0 330.775 2.748 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000582769814 478677414 /nfs/dbraw/zinc/67/74/14/478677414.db2.gz LKGKHDZTXQHSLS-SIXWZSSISA-N -1 0 346.427 2.657 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(NC(=O)OC(C)(C)C)cc2)[n-]c1=O ZINC000496682128 478683017 /nfs/dbraw/zinc/68/30/17/478683017.db2.gz DWZYASQCRFGTHX-UHFFFAOYSA-N -1 0 344.375 2.679 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)s[n-]1 ZINC000598190383 478696939 /nfs/dbraw/zinc/69/69/39/478696939.db2.gz CDNHQUNTBLFRFW-UONOGXRCSA-N -1 0 326.425 2.772 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000542865350 478702546 /nfs/dbraw/zinc/70/25/46/478702546.db2.gz CNOIGWJDJRFHPD-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000496886600 478705611 /nfs/dbraw/zinc/70/56/11/478705611.db2.gz UYNTUMKGCFYWGO-UHFFFAOYSA-N -1 0 337.351 2.979 20 30 EFEDRM C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000595263415 478707679 /nfs/dbraw/zinc/70/76/79/478707679.db2.gz OUWYGKPAYLKYFU-UHOFOFEASA-N -1 0 343.427 2.535 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000582889706 478711568 /nfs/dbraw/zinc/71/15/68/478711568.db2.gz VALLISPSEOKRGD-ZDUSSCGKSA-N -1 0 344.333 2.967 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000497042165 478720720 /nfs/dbraw/zinc/72/07/20/478720720.db2.gz AJCBQPOLSAAFFC-ZFWWWQNUSA-N -1 0 334.416 2.745 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000497042164 478720780 /nfs/dbraw/zinc/72/07/80/478720780.db2.gz AJCBQPOLSAAFFC-UKRRQHHQSA-N -1 0 334.416 2.745 20 30 EFEDRM C=CCc1cc(CNC(=O)C[C@@H](C)CC(=O)[O-])cc(OC)c1OC ZINC000564348164 478729798 /nfs/dbraw/zinc/72/97/98/478729798.db2.gz LAGZLJWXLDKOOS-GFCCVEGCSA-N -1 0 335.400 2.549 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc3c(cn2)CCCC3)cc1C#N ZINC000572061500 478742459 /nfs/dbraw/zinc/74/24/59/478742459.db2.gz RMZUUYVEQDISSA-UHFFFAOYSA-N -1 0 340.408 2.907 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000564558953 478760601 /nfs/dbraw/zinc/76/06/01/478760601.db2.gz MZMRZSAMWZXQCB-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM CC#CC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000543784794 478786570 /nfs/dbraw/zinc/78/65/70/478786570.db2.gz RXJZBAYOPTXOMD-OAHLLOKOSA-N -1 0 337.441 2.519 20 30 EFEDRM Cc1ccc2snc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)c2c1 ZINC000572341179 478810711 /nfs/dbraw/zinc/81/07/11/478810711.db2.gz DDMAFLWJCFRSOD-UHFFFAOYSA-N -1 0 325.397 2.928 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(OC)ccc1C(=O)OC ZINC000601469448 478846761 /nfs/dbraw/zinc/84/67/61/478846761.db2.gz QOQCUVYEQGWEPB-UHFFFAOYSA-N -1 0 341.429 2.505 20 30 EFEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N ZINC000592381966 478874871 /nfs/dbraw/zinc/87/48/71/478874871.db2.gz BZIHVDMXEVKJBZ-UHFFFAOYSA-N -1 0 348.428 2.697 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000572601137 478878663 /nfs/dbraw/zinc/87/86/63/478878663.db2.gz QLXRVNWDJKXJKE-YOEHRIQHSA-N -1 0 346.427 2.834 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c2c1 ZINC000592421189 478890802 /nfs/dbraw/zinc/89/08/02/478890802.db2.gz QDQCSRNXMYMVAC-RYUDHWBXSA-N -1 0 325.368 2.662 20 30 EFEDRM COc1ccc(C)cc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000507227934 478910154 /nfs/dbraw/zinc/91/01/54/478910154.db2.gz IYOGSNMEMGEIRQ-UHFFFAOYSA-N -1 0 329.381 2.950 20 30 EFEDRM CCC[C@@H](C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000583686516 478916350 /nfs/dbraw/zinc/91/63/50/478916350.db2.gz HDTZZSZDVCPVRM-QMMMGPOBSA-N -1 0 340.298 2.695 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000601636416 478921312 /nfs/dbraw/zinc/92/13/12/478921312.db2.gz IVKAYXUHAHBXII-UHFFFAOYSA-N -1 0 334.301 2.782 20 30 EFEDRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1C#N ZINC000601639736 478922608 /nfs/dbraw/zinc/92/26/08/478922608.db2.gz RWJDWFPMXAIRKY-NSHDSACASA-N -1 0 336.317 2.929 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000492329379 478933998 /nfs/dbraw/zinc/93/39/98/478933998.db2.gz KVTMBRXHQXETSA-ZAOIQFLMSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000492329378 478934199 /nfs/dbraw/zinc/93/41/99/478934199.db2.gz KVTMBRXHQXETSA-SMTIMMHKSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CCC)C(=O)[O-])cc1OC ZINC000492363884 478950529 /nfs/dbraw/zinc/95/05/29/478950529.db2.gz CBAUXXFKVYLSKU-GDAGCXPBSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@H](C)NC(=O)OC(C)(C)C)s1 ZINC000492439222 478989120 /nfs/dbraw/zinc/98/91/20/478989120.db2.gz VNCSVVDNYYYDMG-VIFPVBQESA-N -1 0 330.479 2.563 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000528944325 478996617 /nfs/dbraw/zinc/99/66/17/478996617.db2.gz OKLKXUKQYFJWBE-ZDUSSCGKSA-N -1 0 349.456 2.519 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000528989599 479012079 /nfs/dbraw/zinc/01/20/79/479012079.db2.gz SGTGOLPAUMUGOO-UHFFFAOYSA-N -1 0 345.424 2.612 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2cc3ccccc3o2)CCC1 ZINC000492647382 479012223 /nfs/dbraw/zinc/01/22/23/479012223.db2.gz OGMSRDPGPGIMRY-SREVYHEPSA-N -1 0 344.392 2.586 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)CCC1CCCCC1)C(=O)[O-] ZINC000514584166 479026980 /nfs/dbraw/zinc/02/69/80/479026980.db2.gz ZJHBTNWMFOBNHN-DZGCQCFKSA-N -1 0 326.437 2.690 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000492950319 479027242 /nfs/dbraw/zinc/02/72/42/479027242.db2.gz KOQSVPSKDDNENR-FPLPWBNLSA-N -1 0 325.817 2.908 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000492993152 479028827 /nfs/dbraw/zinc/02/88/27/479028827.db2.gz QWWRSNSZHHFSAG-UHFFFAOYSA-N -1 0 335.408 2.535 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc(C3CC3)cc2)CCC1 ZINC000493032925 479032045 /nfs/dbraw/zinc/03/20/45/479032045.db2.gz ZUJCBYYEWYJLTI-RUDMXATFSA-N -1 0 344.436 2.717 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 ZINC000493340991 479045475 /nfs/dbraw/zinc/04/54/75/479045475.db2.gz WAJREPHGBNUYRN-GQCTYLIASA-N -1 0 330.409 2.736 20 30 EFEDRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)C1(C)C ZINC000493555861 479056315 /nfs/dbraw/zinc/05/63/15/479056315.db2.gz MWRUIAPPSZYWKC-GPJUQDOMSA-N -1 0 326.462 2.755 20 30 EFEDRM C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C(=O)[O-] ZINC000514727391 479057663 /nfs/dbraw/zinc/05/76/63/479057663.db2.gz WIOBHBIGUBEONY-ZYHUDNBSSA-N -1 0 335.791 2.981 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2c(F)cccc2F)CC1 ZINC000493587470 479068610 /nfs/dbraw/zinc/06/86/10/479068610.db2.gz QDZVOIUQUCKYNF-SREVYHEPSA-N -1 0 327.352 2.533 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2OCC)CC1 ZINC000493590860 479070199 /nfs/dbraw/zinc/07/01/99/479070199.db2.gz PEMTWLGBQPRVSB-MDZDMXLPSA-N -1 0 335.425 2.653 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC1(C(=O)[O-])CCC1 ZINC000595971651 479085347 /nfs/dbraw/zinc/08/53/47/479085347.db2.gz PWHWAVLEYORCPN-UHFFFAOYSA-N -1 0 335.285 2.612 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000595973390 479086078 /nfs/dbraw/zinc/08/60/78/479086078.db2.gz KXAAAYHYXJEEIP-WDEREUQCSA-N -1 0 340.339 2.704 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000595973389 479086226 /nfs/dbraw/zinc/08/62/26/479086226.db2.gz KXAAAYHYXJEEIP-QWRGUYRKSA-N -1 0 340.339 2.704 20 30 EFEDRM N#Cc1ccc(Br)c(-n2[n-]c3c(c2=O)CSCC3)c1 ZINC000601947680 479087526 /nfs/dbraw/zinc/08/75/26/479087526.db2.gz KNIBIKYZCJWWSD-VIFPVBQESA-N -1 0 336.214 2.776 20 30 EFEDRM Cc1[n-]n(-c2cc(CO)ccc2Br)c(=O)c1CCC#N ZINC000601949069 479089357 /nfs/dbraw/zinc/08/93/57/479089357.db2.gz KHMDADMPQHDPHA-NSHDSACASA-N -1 0 336.189 2.584 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1ccc(C(F)(F)F)cn1 ZINC000566539848 479092120 /nfs/dbraw/zinc/09/21/20/479092120.db2.gz DATAQAOPQYJEQZ-JTQLQIEISA-N -1 0 336.273 2.569 20 30 EFEDRM N#CCCC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000566621965 479094462 /nfs/dbraw/zinc/09/44/62/479094462.db2.gz OJVBWRUVAHIWCH-UHFFFAOYSA-N -1 0 342.374 2.873 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000573568910 479095012 /nfs/dbraw/zinc/09/50/12/479095012.db2.gz CSFRTWDLNVJDGU-UHFFFAOYSA-N -1 0 345.848 2.913 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cn1CC1CC1 ZINC000596026797 479099182 /nfs/dbraw/zinc/09/91/82/479099182.db2.gz NHAWSVCIJRQVPT-UHFFFAOYSA-N -1 0 344.440 2.836 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cncc(OC(C)C)c2)c1 ZINC000601976600 479104672 /nfs/dbraw/zinc/10/46/72/479104672.db2.gz HEQGULBXNBDXAK-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#CCc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000601975991 479104686 /nfs/dbraw/zinc/10/46/86/479104686.db2.gz BHNWAFGHAZRPTJ-UHFFFAOYSA-N -1 0 330.413 2.865 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)nc1 ZINC000601974315 479104763 /nfs/dbraw/zinc/10/47/63/479104763.db2.gz ALYWARGRYQBGRP-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)cc(C#N)c2)no1 ZINC000601979109 479105972 /nfs/dbraw/zinc/10/59/72/479105972.db2.gz FJYWTEXMKMLJHW-UHFFFAOYSA-N -1 0 337.376 2.925 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1)C1CCCC1 ZINC000601978471 479105995 /nfs/dbraw/zinc/10/59/95/479105995.db2.gz VPZYDNQYLLWNQC-OAHLLOKOSA-N -1 0 326.393 2.644 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601977195 479106639 /nfs/dbraw/zinc/10/66/39/479106639.db2.gz XXRABCIFSRKRAL-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM C[C@@](CC(=O)[O-])(C(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000601980846 479108402 /nfs/dbraw/zinc/10/84/02/479108402.db2.gz ASUHJFAAOHTFRP-FVKWTLKZSA-N -1 0 334.441 2.927 20 30 EFEDRM C[C@@](CC(=O)[O-])(C(=O)NCCc1ccc(C#N)cc1)c1ccsc1 ZINC000601986808 479113066 /nfs/dbraw/zinc/11/30/66/479113066.db2.gz DTQWDPIMJSNCIE-SFHVURJKSA-N -1 0 342.420 2.711 20 30 EFEDRM C=C(C)CS(=O)(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000567896337 479117550 /nfs/dbraw/zinc/11/75/50/479117550.db2.gz YYTXXUNLYQSEEE-QGZVFWFLSA-N -1 0 347.436 2.579 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1C#N ZINC000601994700 479121199 /nfs/dbraw/zinc/12/11/99/479121199.db2.gz ZDORUDZPBZYGMQ-QWRGUYRKSA-N -1 0 336.413 2.879 20 30 EFEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000548303117 479125217 /nfs/dbraw/zinc/12/52/17/479125217.db2.gz FCAFYAJRHGFFEN-LLVKDONJSA-N -1 0 326.385 2.548 20 30 EFEDRM N#CCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000568395409 479125192 /nfs/dbraw/zinc/12/51/92/479125192.db2.gz JORRUMZNWJUEEB-FQEVSTJZSA-N -1 0 334.375 2.621 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2c[nH]nc2-c2cnn(C)c2)n1 ZINC000548381808 479125497 /nfs/dbraw/zinc/12/54/97/479125497.db2.gz KVIYKYQCQBUXQU-NSHDSACASA-N -1 0 340.412 2.880 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000602002268 479129042 /nfs/dbraw/zinc/12/90/42/479129042.db2.gz PRDJDLGMIYWKKF-STQMWFEESA-N -1 0 337.441 2.805 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCCCCC[C@@H]2C(=O)[O-])CCCCC1 ZINC000548763783 479129252 /nfs/dbraw/zinc/12/92/52/479129252.db2.gz FLPSAAYBTKWBHI-CQSZACIVSA-N -1 0 342.461 2.510 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000548916254 479135496 /nfs/dbraw/zinc/13/54/96/479135496.db2.gz BOCQYFKNHQTCFO-UHFFFAOYSA-N -1 0 344.444 2.934 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc(-n3ccnn3)c2)n1 ZINC000549162149 479137496 /nfs/dbraw/zinc/13/74/96/479137496.db2.gz RRSRAPXHJFTRQF-CYBMUJFWSA-N -1 0 338.396 2.732 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCOCc1ccc(Cl)cc1)C(=O)[O-] ZINC000573778294 479140248 /nfs/dbraw/zinc/14/02/48/479140248.db2.gz JWIBJGAPUFVKKJ-AWEZNQCLSA-N -1 0 340.807 2.575 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000569607988 479145641 /nfs/dbraw/zinc/14/56/41/479145641.db2.gz ZSWXEYDNCRWDDC-SJLPKXTDSA-N -1 0 347.411 2.528 20 30 EFEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000551188152 479147562 /nfs/dbraw/zinc/14/75/62/479147562.db2.gz BMTLJXXOXKISPB-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1C(F)(F)F ZINC000610725090 479167817 /nfs/dbraw/zinc/16/78/17/479167817.db2.gz DMADLFSVUXNDGB-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC000602171420 479216278 /nfs/dbraw/zinc/21/62/78/479216278.db2.gz ONBADEJZFZTVKA-OAHLLOKOSA-N -1 0 338.411 2.930 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2CCC(C)(c3ccccc3)CC2)[n-]1 ZINC000610876651 479219529 /nfs/dbraw/zinc/21/95/29/479219529.db2.gz KRMKIJFFUJHVHC-UHFFFAOYSA-N -1 0 337.427 2.736 20 30 EFEDRM N#CCCCCNC(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603080749 479236015 /nfs/dbraw/zinc/23/60/15/479236015.db2.gz KCWYAAZORLAKAK-UHFFFAOYSA-N -1 0 337.355 2.721 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(Br)c1[O-] ZINC000574261907 479252084 /nfs/dbraw/zinc/25/20/84/479252084.db2.gz UAOVEWHJCQQWAK-QMTHXVAHSA-N -1 0 340.217 2.866 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1)c1cccc(C#N)c1 ZINC000603164909 479285742 /nfs/dbraw/zinc/28/57/42/479285742.db2.gz LYBHINQLPMTXQP-ZWNOBZJWSA-N -1 0 343.412 2.566 20 30 EFEDRM Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[n-]n1C ZINC000602346862 479294186 /nfs/dbraw/zinc/29/41/86/479294186.db2.gz BDCHYOMWLACCCN-NXEZZACHSA-N -1 0 332.766 2.557 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3ccnc(C(=O)[O-])c3)CC2)c(F)c1 ZINC000593328796 479298576 /nfs/dbraw/zinc/29/85/76/479298576.db2.gz WEFINGMTJYKAHQ-UHFFFAOYSA-N -1 0 341.342 2.838 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)[n-]1 ZINC000611283121 479337255 /nfs/dbraw/zinc/33/72/55/479337255.db2.gz NAVDMVCMUZDJRU-ZDUSSCGKSA-N -1 0 337.427 2.690 20 30 EFEDRM C=CCn1c([C@@H]2Cc3ccccc3O2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000574945421 479376015 /nfs/dbraw/zinc/37/60/15/479376015.db2.gz HXQRFZSKQGRTAN-HNNXBMFYSA-N -1 0 336.399 2.646 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)nn1CCC#N ZINC000603419332 479379983 /nfs/dbraw/zinc/37/99/83/479379983.db2.gz LYRSCWUHPLWLDH-LSDHHAIUSA-N -1 0 348.403 2.542 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)nn1CCC#N ZINC000603419331 479380420 /nfs/dbraw/zinc/38/04/20/479380420.db2.gz LYRSCWUHPLWLDH-HUUCEWRRSA-N -1 0 348.403 2.542 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603556431 479404933 /nfs/dbraw/zinc/40/49/33/479404933.db2.gz OTNYRRFXEAQTDD-UHFFFAOYSA-N -1 0 348.380 2.677 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC[C@@H](C)c1ccc(OC)cc1)C(=O)[O-] ZINC000575225672 479422648 /nfs/dbraw/zinc/42/26/48/479422648.db2.gz IVQVTRZXDFMHJQ-CJNGLKHVSA-N -1 0 334.416 2.907 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2CCC(c3ccc(F)cc3)CC2)[n-]1 ZINC000611621220 479431528 /nfs/dbraw/zinc/43/15/28/479431528.db2.gz IXBDJSSURVFKMW-UHFFFAOYSA-N -1 0 341.390 2.701 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000611620202 479432505 /nfs/dbraw/zinc/43/25/05/479432505.db2.gz SSDLZAIIYNWHGD-UHFFFAOYSA-N -1 0 341.440 2.708 20 30 EFEDRM CSCc1c2ccccc2oc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000588715498 479433551 /nfs/dbraw/zinc/43/35/51/479433551.db2.gz OBFDHIJGZUKBNP-UHFFFAOYSA-N -1 0 326.381 2.873 20 30 EFEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000603835647 479434579 /nfs/dbraw/zinc/43/45/79/479434579.db2.gz DAPRMKRYKPAQTB-SNVBAGLBSA-N -1 0 338.245 2.837 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C(=O)[O-] ZINC000599860133 479457334 /nfs/dbraw/zinc/45/73/34/479457334.db2.gz CHPSCXOTBKDUAI-INIZCTEOSA-N -1 0 343.427 2.567 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000575805441 479476815 /nfs/dbraw/zinc/47/68/15/479476815.db2.gz MBEPXTYXBNDNDR-XGUBFFRZSA-N -1 0 326.437 2.689 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC000575805440 479477573 /nfs/dbraw/zinc/47/75/73/479477573.db2.gz MBEPXTYXBNDNDR-AJNGGQMLSA-N -1 0 326.437 2.689 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)Cc2ccsc2)cc1C#N ZINC000604200726 479484797 /nfs/dbraw/zinc/48/47/97/479484797.db2.gz UUPVKUUOIPHAAR-VIFPVBQESA-N -1 0 333.438 2.803 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593952165 479518809 /nfs/dbraw/zinc/51/88/09/479518809.db2.gz OTSXHVYIZQEHPH-KGYLQXTDSA-N -1 0 345.399 2.824 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)n1 ZINC000604432744 479518986 /nfs/dbraw/zinc/51/89/86/479518986.db2.gz ILJOYVTYDAXEOR-SECBINFHSA-N -1 0 346.412 2.830 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000576156107 479551344 /nfs/dbraw/zinc/55/13/44/479551344.db2.gz YBWRVPVJEROYGC-JTQLQIEISA-N -1 0 345.392 2.556 20 30 EFEDRM N#CC1(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCCC1 ZINC000597086581 479565466 /nfs/dbraw/zinc/56/54/66/479565466.db2.gz NUXLZTSPNQRLNE-UHFFFAOYSA-N -1 0 326.356 2.833 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1C#N ZINC000600182403 479567286 /nfs/dbraw/zinc/56/72/86/479567286.db2.gz BHNLNWCEQDUWBU-RKDXNWHRSA-N -1 0 341.383 2.744 20 30 EFEDRM C=CCn1c(Cc2ccsc2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000576315857 479578759 /nfs/dbraw/zinc/57/87/59/479578759.db2.gz VTYSMSNLSRKTIV-UHFFFAOYSA-N -1 0 328.445 2.632 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000576691373 479582467 /nfs/dbraw/zinc/58/24/67/479582467.db2.gz GICHZNIJUOSHIR-INIZCTEOSA-N -1 0 342.351 2.904 20 30 EFEDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)n1 ZINC000576943284 479586332 /nfs/dbraw/zinc/58/63/32/479586332.db2.gz DPEUFRKTDQXDAX-UHFFFAOYSA-N -1 0 342.424 2.670 20 30 EFEDRM Cn1ncc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cnc21 ZINC000576999926 479586877 /nfs/dbraw/zinc/58/68/77/479586877.db2.gz LMNWMNRKGKDYBM-LBPRGKRZSA-N -1 0 345.284 2.872 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000577748911 479597111 /nfs/dbraw/zinc/59/71/11/479597111.db2.gz YPODJFKKKZOKDV-QMMMGPOBSA-N -1 0 337.319 2.647 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000577950696 479600290 /nfs/dbraw/zinc/60/02/90/479600290.db2.gz XPXYAUWBTTVGAN-UHFFFAOYSA-N -1 0 344.458 2.598 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3n[nH]nc3c2)s1 ZINC000578495558 479606876 /nfs/dbraw/zinc/60/68/76/479606876.db2.gz WMLDRVDCFWTZLB-VIFPVBQESA-N -1 0 326.385 2.597 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000578596999 479607405 /nfs/dbraw/zinc/60/74/05/479607405.db2.gz UMZPYFTWMMWEGT-LBPRGKRZSA-N -1 0 346.305 2.569 20 30 EFEDRM C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C(=O)[O-] ZINC000578867553 479622411 /nfs/dbraw/zinc/62/24/11/479622411.db2.gz SVJWETSTDCPPTR-IINYFYTJSA-N -1 0 340.339 2.562 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000590320107 479630918 /nfs/dbraw/zinc/63/09/18/479630918.db2.gz MYYUOSDYZJCFHU-SNAWJCMRSA-N -1 0 337.364 2.551 20 30 EFEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000578946633 479634312 /nfs/dbraw/zinc/63/43/12/479634312.db2.gz HKHRAYDMOYCKBP-JTQLQIEISA-N -1 0 337.305 2.937 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000590400333 479639729 /nfs/dbraw/zinc/63/97/29/479639729.db2.gz UFDXXSUEPFXKRH-UHFFFAOYSA-N -1 0 334.335 2.671 20 30 EFEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@](F)(C#N)C3)s2)c1 ZINC000615561481 479693691 /nfs/dbraw/zinc/69/36/91/479693691.db2.gz OPGVYSYXDKBRNL-INIZCTEOSA-N -1 0 345.403 2.713 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621564777 479698767 /nfs/dbraw/zinc/69/87/67/479698767.db2.gz VQTJOTRYEOLSGP-VIFPVBQESA-N -1 0 329.299 2.906 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000621565756 479700098 /nfs/dbraw/zinc/70/00/98/479700098.db2.gz LNBQWQLEBKNMDX-HNNXBMFYSA-N -1 0 347.411 2.658 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000621566579 479700437 /nfs/dbraw/zinc/70/04/37/479700437.db2.gz UNYOOBMPVKGGQY-CQSZACIVSA-N -1 0 333.384 2.729 20 30 EFEDRM N#C[C@@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCC[C@@]12CCCCO2 ZINC000619221939 479723361 /nfs/dbraw/zinc/72/33/61/479723361.db2.gz GUYXVWTXYDOUOF-IRXDYDNUSA-N -1 0 331.372 2.728 20 30 EFEDRM CCOCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000621721539 479767527 /nfs/dbraw/zinc/76/75/27/479767527.db2.gz SBANJEOMOTWHMV-ZDUSSCGKSA-N -1 0 330.413 2.744 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@](F)(C#N)C3)n2)c1 ZINC000615932922 479788071 /nfs/dbraw/zinc/78/80/71/479788071.db2.gz UTENTOPBENDVHK-GOSISDBHSA-N -1 0 342.374 2.779 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619462118 479799942 /nfs/dbraw/zinc/79/99/42/479799942.db2.gz DTONQGWYQCEKFT-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462276 479799962 /nfs/dbraw/zinc/79/99/62/479799962.db2.gz XKMOXRAGNZYBDH-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462676 479800476 /nfs/dbraw/zinc/80/04/76/479800476.db2.gz ANBAHGKRTDXMMT-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000619507471 479814791 /nfs/dbraw/zinc/81/47/91/479814791.db2.gz ZMAHUFURUGMJGX-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1O ZINC000612997825 479833072 /nfs/dbraw/zinc/83/30/72/479833072.db2.gz HBKVAZYMDSYILN-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)cc1 ZINC000634153326 480158444 /nfs/dbraw/zinc/15/84/44/480158444.db2.gz QJQIYURFNBAJRG-UHFFFAOYSA-N -1 0 333.413 2.659 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1(c2ccccc2)CCCC1 ZINC000614182124 480217975 /nfs/dbraw/zinc/21/79/75/480217975.db2.gz DPHFIBHADCDLPR-AWEZNQCLSA-N -1 0 337.427 2.736 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610057761 480233207 /nfs/dbraw/zinc/23/32/07/480233207.db2.gz SADQRKNIVXFTNG-UHFFFAOYSA-N -1 0 345.355 2.769 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)n(CCC#N)n1 ZINC000610237698 480256263 /nfs/dbraw/zinc/25/62/63/480256263.db2.gz OECBKRFNVVNDBM-UHFFFAOYSA-N -1 0 336.392 2.662 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1cccc(C#N)c1 ZINC000610321803 480280365 /nfs/dbraw/zinc/28/03/65/480280365.db2.gz IITKMOKQBWBSEC-SNVBAGLBSA-N -1 0 339.380 2.974 20 30 EFEDRM C=C(C)Cn1c(Cc2cc(C)[nH]n2)n[n-]c1=Nc1cccc(OC)c1 ZINC000634389441 480283980 /nfs/dbraw/zinc/28/39/80/480283980.db2.gz NWMNQJVAZLHCCG-UHFFFAOYSA-N -1 0 338.415 2.651 20 30 EFEDRM C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(C#N)c1 ZINC000610366765 480292650 /nfs/dbraw/zinc/29/26/50/480292650.db2.gz WFCKDTICMKICGK-CYBMUJFWSA-N -1 0 332.363 2.941 20 30 EFEDRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610562133 480336876 /nfs/dbraw/zinc/33/68/76/480336876.db2.gz XRTMNHXHSFFJLG-ONERCXAPSA-N -1 0 343.818 2.886 20 30 EFEDRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)o1 ZINC000610564857 480337801 /nfs/dbraw/zinc/33/78/01/480337801.db2.gz MMRJCUGXRQHMRK-NHYWBVRUSA-N -1 0 339.399 2.627 20 30 EFEDRM CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1OC(F)F ZINC000610565246 480337937 /nfs/dbraw/zinc/33/79/37/480337937.db2.gz RFRNQTIOGWHOAC-GFCCVEGCSA-N -1 0 349.341 2.588 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)[n-]1 ZINC000610564226 480337991 /nfs/dbraw/zinc/33/79/91/480337991.db2.gz GKXZYLAPHJEDJF-OAHLLOKOSA-N -1 0 327.363 2.516 20 30 EFEDRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610565308 480338210 /nfs/dbraw/zinc/33/82/10/480338210.db2.gz YZAORYXHLSJTIM-UHFFFAOYSA-N -1 0 338.198 2.684 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC(c2ccccc2)c2ccccc2)[n-]1 ZINC000610565138 480338675 /nfs/dbraw/zinc/33/86/75/480338675.db2.gz WEQWEBWNVPDEIK-UHFFFAOYSA-N -1 0 331.379 2.625 20 30 EFEDRM CCc1ccc([C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610564845 480338699 /nfs/dbraw/zinc/33/86/99/480338699.db2.gz MBSSQQWOTCQMLQ-MRXNPFEDSA-N -1 0 325.416 2.795 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)[n-]1 ZINC000610674758 480361546 /nfs/dbraw/zinc/36/15/46/480361546.db2.gz KWFQZGBYDUJXOR-KRWDZBQOSA-N -1 0 349.369 2.764 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000634654315 480402879 /nfs/dbraw/zinc/40/28/79/480402879.db2.gz DWVDDTARECLLSM-UHFFFAOYSA-N -1 0 325.430 2.584 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626753031 480514653 /nfs/dbraw/zinc/51/46/53/480514653.db2.gz DGMCLNFKGGGLGN-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc(C)c1Br)C(=O)[O-] ZINC000630181715 480594639 /nfs/dbraw/zinc/59/46/39/480594639.db2.gz LETWFTFOXYURKD-LBPRGKRZSA-N -1 0 340.217 2.836 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630182286 480595689 /nfs/dbraw/zinc/59/56/89/480595689.db2.gz NFPXMSAVFKSTBY-CXAGYDPISA-N -1 0 326.396 2.949 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000634876292 480599379 /nfs/dbraw/zinc/59/93/79/480599379.db2.gz LLNUCHSRXGPCOX-CABCVRRESA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCOCCCC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245203 480630637 /nfs/dbraw/zinc/63/06/37/480630637.db2.gz HESYKGHQVCEUDG-UHFFFAOYSA-N -1 0 338.429 2.530 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630258146 480636878 /nfs/dbraw/zinc/63/68/78/480636878.db2.gz KGQFFSLYVZNHEK-QWRGUYRKSA-N -1 0 325.336 2.597 20 30 EFEDRM C=CCOc1cccnc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630264224 480638911 /nfs/dbraw/zinc/63/89/11/480638911.db2.gz CDMSLANCBAQYJP-CQSZACIVSA-N -1 0 332.400 2.657 20 30 EFEDRM C=CCN(C(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1)[C@H](C)COC ZINC000634928904 480641541 /nfs/dbraw/zinc/64/15/41/480641541.db2.gz AGPZRCSZNAAMKV-FZKQIMNGSA-N -1 0 337.391 2.608 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000630319637 480669098 /nfs/dbraw/zinc/66/90/98/480669098.db2.gz DVMKZIBGOVREIF-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000630319864 480669773 /nfs/dbraw/zinc/66/97/73/480669773.db2.gz JGEWLINTMIKFPK-CYBMUJFWSA-N -1 0 345.317 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000630319860 480669932 /nfs/dbraw/zinc/66/99/32/480669932.db2.gz JDDCDQAYVKQBJI-HNNXBMFYSA-N -1 0 335.400 2.562 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OC)c1)C(=O)[O-] ZINC000630320962 480670024 /nfs/dbraw/zinc/67/00/24/480670024.db2.gz CUMRONXODJMPGI-NSHDSACASA-N -1 0 331.290 2.863 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)c(OC)c1)C(=O)[O-] ZINC000630320957 480670056 /nfs/dbraw/zinc/67/00/56/480670056.db2.gz CUMRONXODJMPGI-LLVKDONJSA-N -1 0 331.290 2.863 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000630324533 480671748 /nfs/dbraw/zinc/67/17/48/480671748.db2.gz FLLBPWBTYBUWHE-SKDRFNHKSA-N -1 0 329.755 2.782 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000630327360 480672621 /nfs/dbraw/zinc/67/26/21/480672621.db2.gz ZVZMKLQIPIYLGF-RISCZKNCSA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(=O)[O-] ZINC000630327118 480672718 /nfs/dbraw/zinc/67/27/18/480672718.db2.gz XBYIUZQUIMHGCH-LLVKDONJSA-N -1 0 335.429 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C(=O)[O-] ZINC000630327073 480672822 /nfs/dbraw/zinc/67/28/22/480672822.db2.gz WCTYJHVUMWTMFH-OAHLLOKOSA-N -1 0 346.427 2.612 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC000630326425 480673070 /nfs/dbraw/zinc/67/30/70/480673070.db2.gz PXYDFLUOPUBRFH-NSHDSACASA-N -1 0 346.246 2.979 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-] ZINC000630489277 480744731 /nfs/dbraw/zinc/74/47/31/480744731.db2.gz ADDSRHISDIDQTE-ULQDDVLXSA-N -1 0 346.427 2.826 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000653665300 481396183 /nfs/dbraw/zinc/39/61/83/481396183.db2.gz LYOMPGGGTYZZOQ-RDJZCZTQSA-N -1 0 331.412 2.659 20 30 EFEDRM C=CCCOCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000653667458 481398418 /nfs/dbraw/zinc/39/84/18/481398418.db2.gz CTIHASYZSHWGSV-CYBMUJFWSA-N -1 0 331.290 2.697 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1 ZINC000643341639 481421073 /nfs/dbraw/zinc/42/10/73/481421073.db2.gz DRVQPRNXSMGSSG-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659421441 481426555 /nfs/dbraw/zinc/42/65/55/481426555.db2.gz JEUBROBEJRRGOA-UHFFFAOYSA-N -1 0 332.400 2.648 20 30 EFEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371958 481787206 /nfs/dbraw/zinc/78/72/06/481787206.db2.gz AUFRMFVFHKHTRO-CYBMUJFWSA-N -1 0 346.433 2.914 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1 ZINC000647378878 481792916 /nfs/dbraw/zinc/79/29/16/481792916.db2.gz HQCAWLDKCCSCCW-LBPRGKRZSA-N -1 0 330.413 2.662 20 30 EFEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378116 481793060 /nfs/dbraw/zinc/79/30/60/481793060.db2.gz WHOHGXWRSMOQMX-CYBMUJFWSA-N -1 0 325.393 2.870 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](OC)c1ccccc1Cl)C(=O)[O-] ZINC000654805605 482058375 /nfs/dbraw/zinc/05/83/75/482058375.db2.gz GIYVHDPTCMXGKZ-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663078393 482059715 /nfs/dbraw/zinc/05/97/15/482059715.db2.gz GZDGBHFTVXRJLP-HNNXBMFYSA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCOCCNC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000654813993 482062088 /nfs/dbraw/zinc/06/20/88/482062088.db2.gz NXUWTPLAQCDLNJ-INIZCTEOSA-N -1 0 340.807 2.532 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000649459507 482082527 /nfs/dbraw/zinc/08/25/27/482082527.db2.gz JDMIDYJRKLNLLU-INIZCTEOSA-N -1 0 344.411 2.796 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC(F)F)c(OC)c1)C(=O)[O-] ZINC000663243189 482135480 /nfs/dbraw/zinc/13/54/80/482135480.db2.gz FBUDDPXRQQKZQZ-JTQLQIEISA-N -1 0 344.314 2.838 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666550614 482375947 /nfs/dbraw/zinc/37/59/47/482375947.db2.gz GEYCEEGHIFDLGP-SJORKVTESA-N -1 0 344.411 2.617 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](N=c3[n-]c(C4CCC4)no3)C2)c(F)c1 ZINC000583912677 518196595 /nfs/dbraw/zinc/19/65/95/518196595.db2.gz PUQVLBDXXBHFKS-CQSZACIVSA-N -1 0 341.390 2.851 20 30 EFEDRM C=C(C)[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000263423553 534337608 /nfs/dbraw/zinc/33/76/08/534337608.db2.gz XJOUQHARTJVUBI-HZMBPMFUSA-N -1 0 326.343 2.944 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262977740 519146079 /nfs/dbraw/zinc/14/60/79/519146079.db2.gz BMVDZJLKJSQAHL-UHFFFAOYSA-N -1 0 332.404 2.880 20 30 EFEDRM C=CCc1cc(C(=O)NC2(CC(=O)[O-])CCC2)cc(OC)c1OC ZINC000262555104 534409785 /nfs/dbraw/zinc/40/97/85/534409785.db2.gz YAKMLCZJDBBMNS-UHFFFAOYSA-N -1 0 333.384 2.560 20 30 EFEDRM C=C(CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000360212360 534434380 /nfs/dbraw/zinc/43/43/80/534434380.db2.gz JCLZFCDSNLNUGQ-UHFFFAOYSA-N -1 0 330.409 2.501 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076937265 519713956 /nfs/dbraw/zinc/71/39/56/519713956.db2.gz HVPMQOMAAXSMJG-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195444744 519765622 /nfs/dbraw/zinc/76/56/22/519765622.db2.gz VCEVPNZAOZIRID-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000263065953 519780746 /nfs/dbraw/zinc/78/07/46/519780746.db2.gz PDLOPIPXKNYWJY-LBPRGKRZSA-N -1 0 331.372 2.674 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)nn1 ZINC000134382944 534508861 /nfs/dbraw/zinc/50/88/61/534508861.db2.gz WYMKPJRAWLAWJC-OWOJBTEDSA-N -1 0 332.168 2.627 20 30 EFEDRM C=C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000262954033 534514784 /nfs/dbraw/zinc/51/47/84/534514784.db2.gz NEJJWXQPAVPTEI-WMLDXEAASA-N -1 0 331.412 2.590 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000230344909 521131333 /nfs/dbraw/zinc/13/13/33/521131333.db2.gz NKXYLZTYLPTGLX-UHFFFAOYSA-N -1 0 326.374 2.958 20 30 EFEDRM CCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120587803 521911848 /nfs/dbraw/zinc/91/18/48/521911848.db2.gz WNIBCNZXLDSYNB-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000263019462 534673438 /nfs/dbraw/zinc/67/34/38/534673438.db2.gz XYTYLBFUJURPRS-BEFAXECRSA-N -1 0 331.412 2.686 20 30 EFEDRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000180216291 523002818 /nfs/dbraw/zinc/00/28/18/523002818.db2.gz DMUZGHPDFLCLCO-UHFFFAOYSA-N -1 0 348.380 2.610 20 30 EFEDRM COC(=O)CCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(Cl)cc1 ZINC000071907976 523034723 /nfs/dbraw/zinc/03/47/23/523034723.db2.gz ZTYQEJZAGKKANG-RMKNXTFCSA-N -1 0 345.804 2.593 20 30 EFEDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000178201582 523863968 /nfs/dbraw/zinc/86/39/68/523863968.db2.gz DIQIUNKJIWJKGH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc2ccccc2o1 ZINC000171567739 534740090 /nfs/dbraw/zinc/74/00/90/534740090.db2.gz QXPWEOJZOUTFIE-LLVKDONJSA-N -1 0 333.303 2.649 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC000178765998 524015453 /nfs/dbraw/zinc/01/54/53/524015453.db2.gz KFGDSUQOKFJDDO-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM Cc1cccc(-c2nc(CC(=O)Nc3nc(C#N)c(C#N)[n-]3)cs2)c1 ZINC000026271420 524117118 /nfs/dbraw/zinc/11/71/18/524117118.db2.gz ZBNSLGWFURVTLU-UHFFFAOYSA-N -1 0 348.391 2.766 20 30 EFEDRM C[C@H](CN(C)C(=O)Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000261845125 524285018 /nfs/dbraw/zinc/28/50/18/524285018.db2.gz WDPYWYRBWWTZDS-MRVPVSSYSA-N -1 0 340.177 2.505 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1CC)C(=O)[O-] ZINC000262959424 534794192 /nfs/dbraw/zinc/79/41/92/534794192.db2.gz RMMVIMFFJSVMDL-MRXNPFEDSA-N -1 0 341.411 2.643 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(c2ccc(C)cc2)CCOCC1)C(=O)[O-] ZINC000263038003 534805268 /nfs/dbraw/zinc/80/52/68/534805268.db2.gz ZJXPFYGTEWVCDM-INIZCTEOSA-N -1 0 331.412 2.579 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2c(C)noc2C)cc1 ZINC000048581490 524997165 /nfs/dbraw/zinc/99/71/65/524997165.db2.gz TWUJXOCJBBPCRV-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-] ZINC000263127891 534880172 /nfs/dbraw/zinc/88/01/72/534880172.db2.gz VUUPXMZJNQHOIM-LBPRGKRZSA-N -1 0 325.430 2.649 20 30 EFEDRM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(C)C ZINC000023162674 525763206 /nfs/dbraw/zinc/76/32/06/525763206.db2.gz XNGAUPBHRUPSQO-KBOKABMXSA-N -1 0 344.363 2.711 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177479221 525958704 /nfs/dbraw/zinc/95/87/04/525958704.db2.gz ASHUMZAJJXRCAE-WFASDCNBSA-N -1 0 336.347 2.541 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000176417204 526010453 /nfs/dbraw/zinc/01/04/53/526010453.db2.gz ANFPFBYXIWMHIN-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM CSc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120513853 526141421 /nfs/dbraw/zinc/14/14/21/526141421.db2.gz WDTGJXZKJJXZTD-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000178224246 526195691 /nfs/dbraw/zinc/19/56/91/526195691.db2.gz NRNPIXOGTHGSOS-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2cccc(Cl)c2)cc1C#N ZINC000074070723 526215070 /nfs/dbraw/zinc/21/50/70/526215070.db2.gz NQETWBDIPOULPJ-UHFFFAOYSA-N -1 0 333.800 2.964 20 30 EFEDRM Cc1csc(-c2cccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2)n1 ZINC000154960883 526303779 /nfs/dbraw/zinc/30/37/79/526303779.db2.gz PRMVOUDWGOWKAM-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000057122658 526557195 /nfs/dbraw/zinc/55/71/95/526557195.db2.gz HVBIANLPNBLHKJ-UHFFFAOYSA-N -1 0 335.385 2.751 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1Cl ZINC000057116755 526573130 /nfs/dbraw/zinc/57/31/30/526573130.db2.gz UIGMXWPXDWFQNP-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=C(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000154335253 526622974 /nfs/dbraw/zinc/62/29/74/526622974.db2.gz CDUUXTFGDIHFGM-UHFFFAOYSA-N -1 0 348.399 2.932 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000130295145 526683287 /nfs/dbraw/zinc/68/32/87/526683287.db2.gz SIJXYTCMGZFLEC-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000186703490 526754927 /nfs/dbraw/zinc/75/49/27/526754927.db2.gz NZGFHLDGVUFTTA-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1nc(NC(=O)CCn2ccc3cc(Cl)ccc32)[n-]c1C#N ZINC000089485632 526787647 /nfs/dbraw/zinc/78/76/47/526787647.db2.gz NIDHJBBFSJDWFW-UHFFFAOYSA-N -1 0 338.758 2.790 20 30 EFEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1O ZINC000187082528 526793940 /nfs/dbraw/zinc/79/39/40/526793940.db2.gz LCWLFBVJTBRCKJ-UHFFFAOYSA-N -1 0 331.397 2.757 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1[N+](=O)[O-] ZINC000119101167 526886051 /nfs/dbraw/zinc/88/60/51/526886051.db2.gz VAFDCEFCJYXWLR-UHFFFAOYSA-N -1 0 337.382 2.946 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000180352667 527565064 /nfs/dbraw/zinc/56/50/64/527565064.db2.gz SLQUKVDCNQBXGS-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cncc(C)c2)C1=O ZINC000174992687 528137130 /nfs/dbraw/zinc/13/71/30/528137130.db2.gz YASOTUUAUCODFP-GOSISDBHSA-N -1 0 346.431 2.706 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000183393873 528740940 /nfs/dbraw/zinc/74/09/40/528740940.db2.gz ARZMKVBNFBJSDX-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000427343412 534929471 /nfs/dbraw/zinc/92/94/71/534929471.db2.gz WTDLLBYCDVRFPU-UHFFFAOYSA-N -1 0 342.348 2.901 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(N)c1 ZINC000276873155 534989603 /nfs/dbraw/zinc/98/96/03/534989603.db2.gz KLVBJHIADXVQPF-CQSZACIVSA-N -1 0 342.461 2.751 20 30 EFEDRM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435480296 535154003 /nfs/dbraw/zinc/15/40/03/535154003.db2.gz GJOGTKKIFCVDHI-UHFFFAOYSA-N -1 0 349.437 2.560 20 30 EFEDRM CC(C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nnn[n-]1 ZINC000359782146 535242216 /nfs/dbraw/zinc/24/22/16/535242216.db2.gz GNELJJXPGHFSJJ-UHFFFAOYSA-N -1 0 348.366 2.529 20 30 EFEDRM CC(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000331152733 535298745 /nfs/dbraw/zinc/29/87/45/535298745.db2.gz OSQRTBYUQWEFFW-QWRGUYRKSA-N -1 0 326.466 2.645 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cn1C ZINC000414437267 535379577 /nfs/dbraw/zinc/37/95/77/535379577.db2.gz BMPYZSDAVFABGH-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435488585 536606330 /nfs/dbraw/zinc/60/63/30/536606330.db2.gz CUCOFZJMHWTDHC-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434628288 536657415 /nfs/dbraw/zinc/65/74/15/536657415.db2.gz QRISEBMBXINEGD-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000349913576 536786954 /nfs/dbraw/zinc/78/69/54/536786954.db2.gz LULMRSWCDNYUFT-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM COc1ccsc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351228828 537121562 /nfs/dbraw/zinc/12/15/62/537121562.db2.gz WBKTUVXLUHMNGE-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000191172603 545512697 /nfs/dbraw/zinc/51/26/97/545512697.db2.gz ZCNYFULMLDHUIT-GHMZBOCLSA-N -1 0 329.805 2.548 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1coc(C2CCCCC2)n1 ZINC000329276160 545832427 /nfs/dbraw/zinc/83/24/27/545832427.db2.gz BWZGNZOQKBGNMZ-UHFFFAOYSA-N -1 0 325.372 2.869 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655892699 546627969 /nfs/dbraw/zinc/62/79/69/546627969.db2.gz XRQGSCCAGHNGRJ-MRXNPFEDSA-N -1 0 334.416 2.750 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000656244383 546741299 /nfs/dbraw/zinc/74/12/99/546741299.db2.gz VIGDOGLMSGTUAN-ZDUSSCGKSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2C)nn1 ZINC000656572438 546846048 /nfs/dbraw/zinc/84/60/48/546846048.db2.gz JSQMHMBRKIOFGG-KRWDZBQOSA-N -1 0 328.416 2.777 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])C1 ZINC000656715740 546898573 /nfs/dbraw/zinc/89/85/73/546898573.db2.gz ALCSLAYJHTULGZ-GFCCVEGCSA-N -1 0 327.402 2.571 20 30 EFEDRM C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759698 546914261 /nfs/dbraw/zinc/91/42/61/546914261.db2.gz JWLNDBNNRDSQGE-GDBMZVCRSA-N -1 0 330.428 2.678 20 30 EFEDRM C=CCCOCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667431 547643110 /nfs/dbraw/zinc/64/31/10/547643110.db2.gz UICKOURNUBLQJC-MRXNPFEDSA-N -1 0 325.792 2.739 20 30 EFEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000675223542 548236346 /nfs/dbraw/zinc/23/63/46/548236346.db2.gz GEFGMVSOEMWZKX-UHFFFAOYSA-N -1 0 335.410 2.654 20 30 EFEDRM C=CCCOCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000678981242 549029915 /nfs/dbraw/zinc/02/99/15/549029915.db2.gz GHRMORAIDHBLHA-KRWDZBQOSA-N -1 0 341.407 2.792 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c(OC)c1 ZINC000679400449 549121325 /nfs/dbraw/zinc/12/13/25/549121325.db2.gz OGMYIFNEJBIKGY-OAHLLOKOSA-N -1 0 347.411 2.658 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-] ZINC000681557840 549566289 /nfs/dbraw/zinc/56/62/89/549566289.db2.gz HYIOHHZUVPOIPT-AWEZNQCLSA-N -1 0 325.430 2.682 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(CCC(C)C)cc1)C(=O)[O-] ZINC000681557438 549566414 /nfs/dbraw/zinc/56/64/14/549566414.db2.gz ADIWPDAYKLXVGS-HNNXBMFYSA-N -1 0 325.430 2.583 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(OCC)c2ccccc21)C(=O)[O-] ZINC000681557864 549566928 /nfs/dbraw/zinc/56/69/28/549566928.db2.gz IZGNRZKEBDHWHL-CQSZACIVSA-N -1 0 349.408 2.546 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C(F)(F)F ZINC000682995436 549836161 /nfs/dbraw/zinc/83/61/61/549836161.db2.gz VVRGYKXOQNIYSR-VIFPVBQESA-N -1 0 345.284 2.872 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000683298287 549877673 /nfs/dbraw/zinc/87/76/73/549877673.db2.gz VYSKBHJNFSZZDJ-UHFFFAOYSA-N -1 0 348.380 2.596 20 30 EFEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2C1 ZINC000683689982 549931685 /nfs/dbraw/zinc/93/16/85/549931685.db2.gz WAQNFLDRECDPLF-AAEUAGOBSA-N -1 0 339.399 2.607 20 30 EFEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc(-c2ccncc2)cs1 ZINC000685785997 550181650 /nfs/dbraw/zinc/18/16/50/550181650.db2.gz QQILSHIISDPMFS-CYBMUJFWSA-N -1 0 331.360 2.962 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CCOCC2)nn1)c1ccc2ccccc2n1 ZINC000685783317 550181942 /nfs/dbraw/zinc/18/19/42/550181942.db2.gz KZYPMRBBSJPUHQ-HNNXBMFYSA-N -1 0 347.378 2.668 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CCOCC2)nn1)c1ccc2ccccc2n1 ZINC000685783318 550181949 /nfs/dbraw/zinc/18/19/49/550181949.db2.gz KZYPMRBBSJPUHQ-OAHLLOKOSA-N -1 0 347.378 2.668 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000753998854 575373184 /nfs/dbraw/zinc/37/31/84/575373184.db2.gz DNFDSQXDYGZZNO-ZIAGYGMSSA-N -1 0 348.468 2.972 20 30 EFEDRM N#Cc1cc(C(=O)OCC(=O)[N-]OCc2ccccc2)ccc1Cl ZINC000754921758 575514019 /nfs/dbraw/zinc/51/40/19/575514019.db2.gz PMIRCXNIOXQHIG-UHFFFAOYSA-N -1 0 344.754 2.616 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1c(-n2ccnc2)nc2ccccn12 ZINC000755601220 575606431 /nfs/dbraw/zinc/60/64/31/575606431.db2.gz MYUFTOFVWAEZRU-UHFFFAOYSA-N -1 0 346.350 2.664 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C)cc1Cl ZINC000755602559 575606628 /nfs/dbraw/zinc/60/66/28/575606628.db2.gz FLYCABACGPMHTL-SNVBAGLBSA-N -1 0 333.731 2.606 20 30 EFEDRM Cc1ccc2ncc(C=Nn3c(=O)c4ccccc4[n-]c3=S)n2c1 ZINC000755617307 575608835 /nfs/dbraw/zinc/60/88/35/575608835.db2.gz KMXGDTIMHPPQCC-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM O=C([O-])c1csc(C=NNC(=S)NCCc2cccs2)c1 ZINC000755629569 575610544 /nfs/dbraw/zinc/61/05/44/575610544.db2.gz XOSODICWHGHDSS-UHFFFAOYSA-N -1 0 339.467 2.549 20 30 EFEDRM c1ccc(-c2noc(N=NCc3n[nH]nc3-c3ccccc3)n2)cc1 ZINC000755683774 575618308 /nfs/dbraw/zinc/61/83/08/575618308.db2.gz UFNOVXXJIMGMCY-UHFFFAOYSA-N -1 0 331.339 2.968 20 30 EFEDRM C=CCN(C(=O)c1cccc(I)c1[O-])C1CC1 ZINC000755844988 575644760 /nfs/dbraw/zinc/64/47/60/575644760.db2.gz PEDIBPXSFZLFQU-UHFFFAOYSA-N -1 0 343.164 2.787 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1)OCC ZINC000756505441 575750828 /nfs/dbraw/zinc/75/08/28/575750828.db2.gz RRRMTSBQVIPHHT-INIZCTEOSA-N -1 0 339.457 2.815 20 30 EFEDRM C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000756878757 575795926 /nfs/dbraw/zinc/79/59/26/575795926.db2.gz ILVDEOSSQGSQNI-MNOVXSKESA-N -1 0 333.388 2.752 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc([S@](C)=O)cc1 ZINC000756899019 575798467 /nfs/dbraw/zinc/79/84/67/575798467.db2.gz LRZUWDJSHANOGA-DEOSSOPVSA-N -1 0 346.408 2.967 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc2c(c1)CCN2C ZINC000756898812 575798471 /nfs/dbraw/zinc/79/84/71/575798471.db2.gz CVMSDOSVFSCIIV-UHFFFAOYSA-N -1 0 325.368 2.832 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1c(C)ccc2C ZINC000756899002 575798578 /nfs/dbraw/zinc/79/85/78/575798578.db2.gz LCMOHLPWGXGSHI-UHFFFAOYSA-N -1 0 339.351 2.779 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc2c1OCCO2 ZINC000756901674 575798812 /nfs/dbraw/zinc/79/88/12/575798812.db2.gz VUDDFOQKWPVKKQ-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000757009669 575810512 /nfs/dbraw/zinc/81/05/12/575810512.db2.gz MFMARKUQRGTYTF-SECBINFHSA-N -1 0 336.335 2.561 20 30 EFEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000757460203 575839701 /nfs/dbraw/zinc/83/97/01/575839701.db2.gz QZVODEMPAUMYGW-UHFFFAOYSA-N -1 0 345.399 2.912 20 30 EFEDRM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccccc1C(=O)[O-] ZINC000757451517 575839708 /nfs/dbraw/zinc/83/97/08/575839708.db2.gz RQYUAEZALLEISS-UHFFFAOYSA-N -1 0 346.408 2.704 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c([O-])c1 ZINC000757471399 575840067 /nfs/dbraw/zinc/84/00/67/575840067.db2.gz DGYPYVMADPAWLA-QPJJXVBHSA-N -1 0 325.368 2.687 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1OCC#N ZINC000757472678 575840117 /nfs/dbraw/zinc/84/01/17/575840117.db2.gz RPNGRDKRXBBGSR-QHHAFSJGSA-N -1 0 325.320 2.905 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000757472097 575840157 /nfs/dbraw/zinc/84/01/57/575840157.db2.gz LAPVWQCGTLNACZ-ZZXKWVIFSA-N -1 0 345.307 2.919 20 30 EFEDRM C#CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000757625235 575845837 /nfs/dbraw/zinc/84/58/37/575845837.db2.gz YCLGYNSNBRDMOC-LLVKDONJSA-N -1 0 335.479 2.800 20 30 EFEDRM C[C@H]1C[C@H]1CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000758379917 575868174 /nfs/dbraw/zinc/86/81/74/575868174.db2.gz ZQEPXFLANVEMHO-QWRGUYRKSA-N -1 0 336.442 2.998 20 30 EFEDRM CCO[C@@H]1COCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000758814491 575877801 /nfs/dbraw/zinc/87/78/01/575877801.db2.gz HCFISDLRGINLPN-ZNESDEBXSA-N -1 0 328.752 2.567 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2cccc(-c3ccccc3)c2)nn1 ZINC000759076190 575884105 /nfs/dbraw/zinc/88/41/05/575884105.db2.gz MEBVLSZVAXLFED-KTKRTIGZSA-N -1 0 333.347 2.926 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759092123 575884410 /nfs/dbraw/zinc/88/44/10/575884410.db2.gz WEZMWDBIAKDAMR-XBXARRHUSA-N -1 0 347.348 2.600 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc(C#N)cc1Cl ZINC000759106448 575884687 /nfs/dbraw/zinc/88/46/87/575884687.db2.gz XESXQUFNFJRRHY-UHFFFAOYSA-N -1 0 348.708 2.712 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000759111857 575884831 /nfs/dbraw/zinc/88/48/31/575884831.db2.gz QMIHCHFSEQBJQZ-UHFFFAOYSA-N -1 0 347.720 2.692 20 30 EFEDRM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1ncccc1[N+](=O)[O-] ZINC000759206068 575886975 /nfs/dbraw/zinc/88/69/75/575886975.db2.gz JJQJIGGLWPDRHK-UHFFFAOYSA-N -1 0 331.719 2.720 20 30 EFEDRM CC(C)N1c2ccccc2C(=N[N-]c2ncccc2[N+](=O)[O-])C1=O ZINC000759205246 575886979 /nfs/dbraw/zinc/88/69/79/575886979.db2.gz BXWXSPBSIAEPGH-UHFFFAOYSA-N -1 0 325.328 2.561 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC=CC1 ZINC000759232306 575887329 /nfs/dbraw/zinc/88/73/29/575887329.db2.gz QWDWEGRLBKNBQJ-CYBMUJFWSA-N -1 0 328.368 2.666 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccco1 ZINC000759235459 575887440 /nfs/dbraw/zinc/88/74/40/575887440.db2.gz AXSIRYPIULMDEU-NSHDSACASA-N -1 0 328.324 2.607 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CO[C@H](C)CC ZINC000759239453 575887548 /nfs/dbraw/zinc/88/75/48/575887548.db2.gz OPWPUCMYLOVYDH-ZWNOBZJWSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CO[C@H](C)CC ZINC000759239448 575887568 /nfs/dbraw/zinc/88/75/68/575887568.db2.gz OPWPUCMYLOVYDH-MFKMUULPSA-N -1 0 348.399 2.515 20 30 EFEDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000759549281 575899156 /nfs/dbraw/zinc/89/91/56/575899156.db2.gz FTMYTQOHYVFOAY-QWRGUYRKSA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1ccc2[nH]cc(C=Nn3c(=O)c4ccccc4[n-]c3=S)c2c1 ZINC000760240325 575994068 /nfs/dbraw/zinc/99/40/68/575994068.db2.gz XHIKGVDAXHVCGN-UHFFFAOYSA-N -1 0 345.387 2.920 20 30 EFEDRM CCC(=NNC(=S)NCC(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC000760253331 575995785 /nfs/dbraw/zinc/99/57/85/575995785.db2.gz DRFNIFYDCPRYJE-UHFFFAOYSA-N -1 0 333.335 2.525 20 30 EFEDRM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]c1ncc(F)cn1 ZINC000760255625 575996185 /nfs/dbraw/zinc/99/61/85/575996185.db2.gz XBHBDWPURQKXMP-UHFFFAOYSA-N -1 0 326.118 2.691 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(C(F)(F)F)s2)C(=O)O1 ZINC000761473897 576167496 /nfs/dbraw/zinc/16/74/96/576167496.db2.gz IXPWWXWBFYSPLA-KMOQFTEPSA-N -1 0 330.283 2.995 20 30 EFEDRM CC(C)c1nc(C#N)c([N-]N=C2c3ccc(N(C)C)cc3NC2=O)o1 ZINC000761803486 576213591 /nfs/dbraw/zinc/21/35/91/576213591.db2.gz GRZZZQBUXJNILO-UHFFFAOYSA-N -1 0 338.371 2.504 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2cc(C(=O)[O-])ccc2O)n1 ZINC000762616370 576318194 /nfs/dbraw/zinc/31/81/94/576318194.db2.gz ONXUHSAEOAYOPW-UHFFFAOYSA-N -1 0 343.387 2.563 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2C(=O)Nc3cccc(Cl)c32)n1 ZINC000762618276 576318697 /nfs/dbraw/zinc/31/86/97/576318697.db2.gz SPHPFPWHGNQKHR-UHFFFAOYSA-N -1 0 344.806 2.745 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000762718030 576327205 /nfs/dbraw/zinc/32/72/05/576327205.db2.gz CZMPRACQBLYUMH-AWEZNQCLSA-N -1 0 345.424 2.633 20 30 EFEDRM C=C(C)COC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000762938856 576349113 /nfs/dbraw/zinc/34/91/13/576349113.db2.gz BYVVEOLTMDWGAF-UHFFFAOYSA-N -1 0 338.410 2.677 20 30 EFEDRM COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2)c(OC)cc1O ZINC000763105021 576361636 /nfs/dbraw/zinc/36/16/36/576361636.db2.gz HVSPPEIMLDQBPK-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c(OC)cc1O ZINC000763106127 576361807 /nfs/dbraw/zinc/36/18/07/576361807.db2.gz OEGDHYMZZZHFJF-GQCTYLIASA-N -1 0 345.307 2.919 20 30 EFEDRM COc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCCO2 ZINC000763367555 576374373 /nfs/dbraw/zinc/37/43/73/576374373.db2.gz BTNBVPRTEZDAIO-UHFFFAOYSA-N -1 0 327.340 2.777 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cc(Cl)c3c(c2)OCCO3)nc1 ZINC000763369097 576374481 /nfs/dbraw/zinc/37/44/81/576374481.db2.gz UFSOFDYBJGMVBI-UHFFFAOYSA-N -1 0 333.731 2.650 20 30 EFEDRM C=CCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763368093 576374482 /nfs/dbraw/zinc/37/44/82/576374482.db2.gz KAOBLVJEPLGQMP-UHFFFAOYSA-N -1 0 327.340 2.799 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2c[nH]nc2-c2ccccc2F)nc1 ZINC000763368898 576374515 /nfs/dbraw/zinc/37/45/15/576374515.db2.gz BXAIFCJZDMLUCH-UHFFFAOYSA-N -1 0 325.303 2.755 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N2CCOC2=O)cc1 ZINC000763370263 576374517 /nfs/dbraw/zinc/37/45/17/576374517.db2.gz PRRQLBRLWDQDCE-UHFFFAOYSA-N -1 0 340.339 2.573 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cccc(Br)c2O)nc1 ZINC000763371477 576374601 /nfs/dbraw/zinc/37/46/01/576374601.db2.gz BMQABUOTHKFBGM-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM COc1cc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763370378 576374557 /nfs/dbraw/zinc/37/45/57/576374557.db2.gz OWOAJAGDAFYSFH-UHFFFAOYSA-N -1 0 329.356 2.942 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1c(Cl)nc2ccccn21 ZINC000763371721 576374635 /nfs/dbraw/zinc/37/46/35/576374635.db2.gz JRPFJKVYERFCTE-UHFFFAOYSA-N -1 0 329.747 2.917 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763927840 576411052 /nfs/dbraw/zinc/41/10/52/576411052.db2.gz OFYQEJZWJCWSGB-WFASDCNBSA-N -1 0 346.390 2.896 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763927833 576411151 /nfs/dbraw/zinc/41/11/51/576411151.db2.gz OFYQEJZWJCWSGB-DOMZBBRYSA-N -1 0 346.390 2.896 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2ncnc3ccsc32)cc1 ZINC000764834079 576509532 /nfs/dbraw/zinc/50/95/32/576509532.db2.gz CASKASUXRUCTGG-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncnc3ccsc31)O2 ZINC000764839311 576510120 /nfs/dbraw/zinc/51/01/20/576510120.db2.gz BBDIQYDQLLANBQ-UHFFFAOYSA-N -1 0 326.337 2.706 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NCCCC1CCOCC1)[n-]c2=O ZINC000764910935 576522040 /nfs/dbraw/zinc/52/20/40/576522040.db2.gz VVKNBSHDKRMMAD-UHFFFAOYSA-N -1 0 346.435 2.891 20 30 EFEDRM C=CCN1C(=O)C(=Cc2n[nH]c3cc(C(=O)[O-])ccc23)SC1=S ZINC000765498491 577047168 /nfs/dbraw/zinc/04/71/68/577047168.db2.gz DIDZXSWMXSSVRI-GHXNOFRVSA-N -1 0 345.405 2.648 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1nc(-c2ccccc2)no1 ZINC000765572331 577055278 /nfs/dbraw/zinc/05/52/78/577055278.db2.gz PRRUMCQXEGWHSL-UHFFFAOYSA-N -1 0 348.322 2.757 20 30 EFEDRM CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000765584473 577056573 /nfs/dbraw/zinc/05/65/73/577056573.db2.gz OIYQJQLBYWLBRG-UHFFFAOYSA-N -1 0 344.327 2.923 20 30 EFEDRM COc1cc(F)cc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc32)c1 ZINC000765583482 577056664 /nfs/dbraw/zinc/05/66/64/577056664.db2.gz IHZJOMIVFPKOSJ-UHFFFAOYSA-N -1 0 328.303 2.855 20 30 EFEDRM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000765823437 577080605 /nfs/dbraw/zinc/08/06/05/577080605.db2.gz FFRICHAKDVCAQS-BJMVGYQFSA-N -1 0 345.376 2.652 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000766501344 577158752 /nfs/dbraw/zinc/15/87/52/577158752.db2.gz FQKAJOSWQKJNQP-DAXSKMNVSA-N -1 0 344.319 2.816 20 30 EFEDRM C=CCc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)cc(OC)c1OC ZINC000767185611 577199261 /nfs/dbraw/zinc/19/92/61/577199261.db2.gz QCWSTMZEMXSWNC-UHFFFAOYSA-N -1 0 347.411 2.807 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1 ZINC000767547506 577212878 /nfs/dbraw/zinc/21/28/78/577212878.db2.gz BOZDHSRFJZCQBX-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM COc1ccc(/C=C\C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737983350 577221118 /nfs/dbraw/zinc/22/11/18/577221118.db2.gz UNEMSHSWSRDGQD-HJLMUGLJSA-N -1 0 337.331 2.949 20 30 EFEDRM COc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737984904 577222409 /nfs/dbraw/zinc/22/24/09/577222409.db2.gz PKHZVKOWBYUCJT-KRWDZBQOSA-N -1 0 343.310 2.618 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000737991378 577229714 /nfs/dbraw/zinc/22/97/14/577229714.db2.gz DVNSTKORFMDGLN-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000767728781 577230655 /nfs/dbraw/zinc/23/06/55/577230655.db2.gz HRCQKLIYADMEAW-WCIBSUBMSA-N -1 0 340.331 2.833 20 30 EFEDRM CCOc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)ccc1O ZINC000725858059 577252619 /nfs/dbraw/zinc/25/26/19/577252619.db2.gz FKKNVALKUDIXEY-UHFFFAOYSA-N -1 0 341.392 2.672 20 30 EFEDRM Cc1nc2ccccn2c1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725859420 577253682 /nfs/dbraw/zinc/25/36/82/577253682.db2.gz NXEPTCPXNYTMEH-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM C#CCOc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725860020 577253813 /nfs/dbraw/zinc/25/38/13/577253813.db2.gz UPJSXGAIEUWECB-UHFFFAOYSA-N -1 0 335.388 2.579 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000738004533 577253944 /nfs/dbraw/zinc/25/39/44/577253944.db2.gz XEANLIWSRAOEBZ-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000744936910 577261683 /nfs/dbraw/zinc/26/16/83/577261683.db2.gz YNSLYXVMCFXKPA-QMMMGPOBSA-N -1 0 335.772 2.766 20 30 EFEDRM O=C1NC2(CCCCC2)C(=O)N1N=Cc1cc(Cl)cc(F)c1[O-] ZINC000768350547 577267832 /nfs/dbraw/zinc/26/78/32/577267832.db2.gz STNPPVXVPMGMMR-UHFFFAOYSA-N -1 0 339.754 2.773 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NNC(=S)NCC(F)(F)F ZINC000768364821 577268813 /nfs/dbraw/zinc/26/88/13/577268813.db2.gz OOAUGWRRQGXYMP-UHFFFAOYSA-N -1 0 329.706 2.545 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])cn1 ZINC000739104372 577280461 /nfs/dbraw/zinc/28/04/61/577280461.db2.gz FPWDXJANWQPIDN-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(N)cc2Cl)C(=O)[O-])cc1 ZINC000739114560 577282104 /nfs/dbraw/zinc/28/21/04/577282104.db2.gz IGGWIZDYIFGAHI-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c(O)cccc2Cl)C(=O)[O-])cc1 ZINC000739115373 577282210 /nfs/dbraw/zinc/28/22/10/577282210.db2.gz PXSMAESHWCWMNF-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000739120960 577282665 /nfs/dbraw/zinc/28/26/65/577282665.db2.gz HLWRSNCPFIPBNB-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM C#CCCN(CC(F)(F)F)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000768615647 577288977 /nfs/dbraw/zinc/28/89/77/577288977.db2.gz SMQFXSMBEHNCRN-UHFFFAOYSA-N -1 0 337.301 2.606 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)nn1 ZINC000768850012 577309786 /nfs/dbraw/zinc/30/97/86/577309786.db2.gz WTGPENFKALUCMQ-IHWYPQMZSA-N -1 0 331.715 2.658 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738251322 577360365 /nfs/dbraw/zinc/36/03/65/577360365.db2.gz LDKGDHBQLMQART-UHFFFAOYSA-N -1 0 345.380 2.782 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000769544840 577371532 /nfs/dbraw/zinc/37/15/32/577371532.db2.gz JGCUXHPJKHDKDF-SOIVGHGOSA-N -1 0 347.411 2.889 20 30 EFEDRM O=C1c2ccccc2CCN1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769597170 577374029 /nfs/dbraw/zinc/37/40/29/577374029.db2.gz FEWQWCNIHZIPTF-UHFFFAOYSA-N -1 0 345.742 2.986 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccccc2-n2cncn2)c1 ZINC000726742176 577382699 /nfs/dbraw/zinc/38/26/99/577382699.db2.gz LQFCQMHYRYCBFO-HJWRWDBZSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2-n2cncn2)cc1 ZINC000726744147 577382882 /nfs/dbraw/zinc/38/28/82/577382882.db2.gz UQHLGTJOFPESGF-MDZDMXLPSA-N -1 0 333.347 2.791 20 30 EFEDRM Cc1cccc(F)c1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000769841045 577388662 /nfs/dbraw/zinc/38/86/62/577388662.db2.gz SOHIYSHRGKUFKY-UHFFFAOYSA-N -1 0 347.302 2.952 20 30 EFEDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000726858596 577390369 /nfs/dbraw/zinc/39/03/69/577390369.db2.gz IUOZOBYJRDIMFP-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(N(CC)CCCC)cc1 ZINC000770103433 577402299 /nfs/dbraw/zinc/40/22/99/577402299.db2.gz ZASIVVNOSOYDQA-KRWDZBQOSA-N -1 0 327.428 2.938 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(C#N)cc2F)ccc1C(=O)[O-] ZINC000737665847 577422959 /nfs/dbraw/zinc/42/29/59/577422959.db2.gz OVWWWOKRUDUCRO-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000737702468 577430877 /nfs/dbraw/zinc/43/08/77/577430877.db2.gz ALUJABFVIUTPNU-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCc2ccc(F)cc2F)c1)C(=O)[O-] ZINC000727060132 577432198 /nfs/dbraw/zinc/43/21/98/577432198.db2.gz GWMMBIHQRDNERP-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000770569141 581111351 /nfs/dbraw/zinc/11/13/51/581111351.db2.gz QNYACTSZXGEVLQ-YXHMCITBSA-N -1 0 340.763 2.711 20 30 EFEDRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000770866561 581143520 /nfs/dbraw/zinc/14/35/20/581143520.db2.gz UBHACUCHTVVXMH-ANQUJSFKSA-N -1 0 345.443 2.789 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000770866761 581143551 /nfs/dbraw/zinc/14/35/51/581143551.db2.gz YCYCPQOYAVKCSM-JTQLQIEISA-N -1 0 327.340 2.979 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000770876445 581144792 /nfs/dbraw/zinc/14/47/92/581144792.db2.gz LCUWBEYXBHKJIA-NSHDSACASA-N -1 0 327.340 2.979 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000770877807 581144893 /nfs/dbraw/zinc/14/48/93/581144893.db2.gz UIVIJQGHXCCDTB-SNVBAGLBSA-N -1 0 325.349 2.947 20 30 EFEDRM Cc1cc2occ(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c2cc1C ZINC000770908309 581149304 /nfs/dbraw/zinc/14/93/04/581149304.db2.gz FSRGTQIJLZHWKB-UHFFFAOYSA-N -1 0 334.397 2.659 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)sc1C ZINC000771071364 581171217 /nfs/dbraw/zinc/17/12/17/581171217.db2.gz MOVFAZOAFBPQKV-UHFFFAOYSA-N -1 0 340.470 2.763 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000771072105 581171451 /nfs/dbraw/zinc/17/14/51/581171451.db2.gz SOYAXXKCTALFIX-NSHDSACASA-N -1 0 340.832 2.583 20 30 EFEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)s1 ZINC000771074461 581171699 /nfs/dbraw/zinc/17/16/99/581171699.db2.gz RWTDBTYTRBWOCG-UHFFFAOYSA-N -1 0 340.470 2.519 20 30 EFEDRM Cc1cc(C)c(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1C ZINC000771075777 581171910 /nfs/dbraw/zinc/17/19/10/581171910.db2.gz CODGYJUUIQTGDW-WAYWQWQTSA-N -1 0 346.452 2.765 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)s1 ZINC000771075494 581171950 /nfs/dbraw/zinc/17/19/50/581171950.db2.gz ZAVDXLSNGRCNRR-VIFPVBQESA-N -1 0 346.861 2.645 20 30 EFEDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079775 581172465 /nfs/dbraw/zinc/17/24/65/581172465.db2.gz YNJPMHHLOVXZOR-AWEZNQCLSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1C ZINC000771080147 581172843 /nfs/dbraw/zinc/17/28/43/581172843.db2.gz WDPXZECJLIOLRA-UHFFFAOYSA-N -1 0 340.832 2.710 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(C(C)C)c2C)n1 ZINC000771184830 581184857 /nfs/dbraw/zinc/18/48/57/581184857.db2.gz XENMDXJQXCJGIK-GFCCVEGCSA-N -1 0 346.412 2.571 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(C(C)C)c2C)n1 ZINC000771184831 581184974 /nfs/dbraw/zinc/18/49/74/581184974.db2.gz XENMDXJQXCJGIK-LBPRGKRZSA-N -1 0 346.412 2.571 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cccc3nccn32)cc1CC(=O)[O-] ZINC000771286571 581196156 /nfs/dbraw/zinc/19/61/56/581196156.db2.gz NLWBNSMRBAGPCX-SREVYHEPSA-N -1 0 336.347 2.866 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000772712254 581358868 /nfs/dbraw/zinc/35/88/68/581358868.db2.gz ARECWRJFUYEWPH-UHFFFAOYSA-N -1 0 325.386 2.800 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCCCC)cc1 ZINC000772713825 581358874 /nfs/dbraw/zinc/35/88/74/581358874.db2.gz YZOGJMTXDDSQNY-UHFFFAOYSA-N -1 0 325.430 2.891 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000772715459 581359261 /nfs/dbraw/zinc/35/92/61/581359261.db2.gz MWQFIVRNWGEFKT-UHFFFAOYSA-N -1 0 345.420 2.820 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)COc1ccc(Cl)c2ccccc12 ZINC000772722782 581359959 /nfs/dbraw/zinc/35/99/59/581359959.db2.gz DVIFPORYZXDIOL-UHFFFAOYSA-N -1 0 339.800 2.504 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000772799296 581369677 /nfs/dbraw/zinc/36/96/77/581369677.db2.gz ATJIZISHLRNPJB-RMKNXTFCSA-N -1 0 327.292 2.983 20 30 EFEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])o1 ZINC000773052955 581391139 /nfs/dbraw/zinc/39/11/39/581391139.db2.gz BOLXOAFTJBABJP-UHFFFAOYSA-N -1 0 325.328 2.609 20 30 EFEDRM CC1(C)CCCC[C@@H]1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000773123915 581398803 /nfs/dbraw/zinc/39/88/03/581398803.db2.gz HRAALQWCJQFRBS-HNNXBMFYSA-N -1 0 349.387 2.951 20 30 EFEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cccc(OCCC(=O)[O-])c1 ZINC000773163811 581401996 /nfs/dbraw/zinc/40/19/96/581401996.db2.gz YGNWLJKKXSBNOD-SXGWCWSVSA-N -1 0 334.331 2.904 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)cc1 ZINC000773315668 581417690 /nfs/dbraw/zinc/41/76/90/581417690.db2.gz LLUGXSQJHVCMBK-UHFFFAOYSA-N -1 0 348.362 2.750 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773341492 581421225 /nfs/dbraw/zinc/42/12/25/581421225.db2.gz UXJFNSMPFRKGLA-UHFFFAOYSA-N -1 0 331.259 2.594 20 30 EFEDRM C[C@@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773769019 581463213 /nfs/dbraw/zinc/46/32/13/581463213.db2.gz IJGJRQLLBZRUID-YOEHRIQHSA-N -1 0 335.407 2.893 20 30 EFEDRM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000773792411 581464731 /nfs/dbraw/zinc/46/47/31/581464731.db2.gz IWCOATFWEREBJW-SECBINFHSA-N -1 0 346.861 2.548 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC000773855699 581469876 /nfs/dbraw/zinc/46/98/76/581469876.db2.gz KDLCTDHBLMPUHG-AWEZNQCLSA-N -1 0 332.425 2.537 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccoc1 ZINC000773990150 581477276 /nfs/dbraw/zinc/47/72/76/581477276.db2.gz SVAYDLZKUWPDBP-ZDUSSCGKSA-N -1 0 342.351 2.536 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cn(CCCC#N)c2ccccc12 ZINC000774055636 581480823 /nfs/dbraw/zinc/48/08/23/581480823.db2.gz VWUAZGOJYSIWNK-HNNXBMFYSA-N -1 0 336.395 2.792 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000774257764 581488283 /nfs/dbraw/zinc/48/82/83/581488283.db2.gz KXAALRVIMKYTFA-CYBMUJFWSA-N -1 0 344.754 2.774 20 30 EFEDRM CCOCCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000774420977 581491173 /nfs/dbraw/zinc/49/11/73/581491173.db2.gz BYDJKBFKJHGRGC-UHFFFAOYSA-N -1 0 333.340 2.944 20 30 EFEDRM O=C([O-])c1ccc(N=NCCCc2ccc3c(c2)OCCO3)nc1 ZINC000774587080 581494770 /nfs/dbraw/zinc/49/47/70/581494770.db2.gz ROSSFJQRSKKKRE-UHFFFAOYSA-N -1 0 327.340 2.582 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000774619416 581495375 /nfs/dbraw/zinc/49/53/75/581495375.db2.gz AFAHKBHLRSPJAU-UHFFFAOYSA-N -1 0 349.383 2.785 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000819106474 597091704 /nfs/dbraw/zinc/09/17/04/597091704.db2.gz TYVHTSWQNUPNJS-INIZCTEOSA-N -1 0 344.411 2.821 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000819100178 597102861 /nfs/dbraw/zinc/10/28/61/597102861.db2.gz BANGVPGVQYUMRP-OAHLLOKOSA-N -1 0 332.425 2.505 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000819051346 597144668 /nfs/dbraw/zinc/14/46/68/597144668.db2.gz IZEPJOHKAJKAME-UHFFFAOYSA-N -1 0 349.346 2.879 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000320411450 597149673 /nfs/dbraw/zinc/14/96/73/597149673.db2.gz BCKKMVNZTNHBAH-UHFFFAOYSA-N -1 0 326.377 2.930 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)NCCC(=O)[O-])c2)s1 ZINC000819095936 597221969 /nfs/dbraw/zinc/22/19/69/597221969.db2.gz OXRCWTMULVMTRM-UHFFFAOYSA-N -1 0 329.381 2.561 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nn(CN(C)[C@H](C)C(=O)[O-])c1=S ZINC000817685762 597225981 /nfs/dbraw/zinc/22/59/81/597225981.db2.gz FKZIALBEGVDCJY-CYBMUJFWSA-N -1 0 346.456 2.938 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819090769 597264152 /nfs/dbraw/zinc/26/41/52/597264152.db2.gz AWJVLULQWKFVGF-UHFFFAOYSA-N -1 0 327.340 2.854 20 30 EFEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000817762502 597462553 /nfs/dbraw/zinc/46/25/53/597462553.db2.gz NODBGZRQFHJMIH-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@H](C)C(=O)[O-])cc1C ZINC000738251488 597499955 /nfs/dbraw/zinc/49/99/55/597499955.db2.gz LLOJLJOOUNZWRQ-CYBMUJFWSA-N -1 0 341.367 2.711 20 30 EFEDRM Cc1c(Br)cccc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820934101 597604871 /nfs/dbraw/zinc/60/48/71/597604871.db2.gz CPVUDQPSMDKNOI-CQSZACIVSA-N -1 0 340.173 2.805 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000821008877 597604989 /nfs/dbraw/zinc/60/49/89/597604989.db2.gz QTZVVJNMZIENJG-SFHVURJKSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC000821008821 597605249 /nfs/dbraw/zinc/60/52/49/597605249.db2.gz OGLBCIRKYSJJJJ-GOSISDBHSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1ccc(Br)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000821058217 597605278 /nfs/dbraw/zinc/60/52/78/597605278.db2.gz CMMRYUAGPGHKOF-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000819832336 597607142 /nfs/dbraw/zinc/60/71/42/597607142.db2.gz AXMAGRKDBAWURD-YJYMSZOUSA-N -1 0 328.412 2.962 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000819824561 597608938 /nfs/dbraw/zinc/60/89/38/597608938.db2.gz YYRRZVVOPJGQAC-QAPCUYQASA-N -1 0 330.359 2.882 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1c(Cl)cccc1Cl ZINC000819866461 597612833 /nfs/dbraw/zinc/61/28/33/597612833.db2.gz XGKDZDSAISBCAS-AWEZNQCLSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000819866775 597613019 /nfs/dbraw/zinc/61/30/19/597613019.db2.gz ZUEPDVFMCUXFPC-CQSZACIVSA-N -1 0 344.150 2.724 20 30 EFEDRM Cc1ccc(-c2nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])co2)cc1 ZINC000821052214 597613882 /nfs/dbraw/zinc/61/38/82/597613882.db2.gz KAZCTNLMFYIHPB-QGZVFWFLSA-N -1 0 328.324 2.698 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)c(F)c1 ZINC000819874237 597614192 /nfs/dbraw/zinc/61/41/92/597614192.db2.gz JLBZMTDDNDPHJB-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1ccccc1-c1noc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000821120151 597614901 /nfs/dbraw/zinc/61/49/01/597614901.db2.gz PEFRFQQJKQZZPT-APPDUMDISA-N -1 0 343.339 2.654 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc2ccccc2nc1Cl ZINC000819874635 597615349 /nfs/dbraw/zinc/61/53/49/597615349.db2.gz NSNJTDHFEOCANK-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM Cc1ccc(-c2cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])on2)cc1 ZINC000821052253 597615946 /nfs/dbraw/zinc/61/59/46/597615946.db2.gz LZCPTXLBOWCITG-QGZVFWFLSA-N -1 0 328.324 2.698 20 30 EFEDRM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C ZINC000820968064 597617648 /nfs/dbraw/zinc/61/76/48/597617648.db2.gz JKALKBMGSSLMIA-UGSOOPFHSA-N -1 0 331.368 2.731 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2ccc(F)cc2)n1 ZINC000819875425 597618526 /nfs/dbraw/zinc/61/85/26/597618526.db2.gz WRAOPRULQKSLBE-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccccc2F)o1 ZINC000819874024 597619837 /nfs/dbraw/zinc/61/98/37/597619837.db2.gz GLFKFUVDQHBIDK-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000819811969 597635797 /nfs/dbraw/zinc/63/57/97/597635797.db2.gz YBVUXXXAVOXOEC-GOSISDBHSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000819855408 597641162 /nfs/dbraw/zinc/64/11/62/597641162.db2.gz BWUXHTHFHKWINP-KRWDZBQOSA-N -1 0 326.356 2.773 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000819811767 597646269 /nfs/dbraw/zinc/64/62/69/597646269.db2.gz VTSFVRSLGAKSBD-SFHVURJKSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000819811680 597662729 /nfs/dbraw/zinc/66/27/29/597662729.db2.gz UJTXJMOHSGFOPZ-FZKQIMNGSA-N -1 0 332.375 2.926 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000819811679 597662792 /nfs/dbraw/zinc/66/27/92/597662792.db2.gz UJTXJMOHSGFOPZ-ACJLOTCBSA-N -1 0 332.375 2.926 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000819822473 597712758 /nfs/dbraw/zinc/71/27/58/597712758.db2.gz OBQGXXLEXVRVGY-RWKZGTHUSA-N -1 0 332.375 2.973 20 30 EFEDRM Cc1ccc(Br)cc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821058585 597813466 /nfs/dbraw/zinc/81/34/66/597813466.db2.gz WKDZNNZFCDWHAU-AWEZNQCLSA-N -1 0 340.173 2.805 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C#N ZINC000820837283 598034685 /nfs/dbraw/zinc/03/46/85/598034685.db2.gz XMVQCEWOOVRUNO-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM N#Cc1ccccc1N1CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000821340554 598137483 /nfs/dbraw/zinc/13/74/83/598137483.db2.gz NAEPSEZDNDEEKF-UHFFFAOYSA-N -1 0 349.390 2.609 20 30 EFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000821340342 598157505 /nfs/dbraw/zinc/15/75/05/598157505.db2.gz CKWRUZSEJVWATL-UHFFFAOYSA-N -1 0 349.390 2.655 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320135 598160170 /nfs/dbraw/zinc/16/01/70/598160170.db2.gz JWSQTJTYVGTDKK-CQSZACIVSA-N -1 0 342.738 2.999 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000821340383 598191133 /nfs/dbraw/zinc/19/11/33/598191133.db2.gz DIEXJYPLMQYOOI-UHFFFAOYSA-N -1 0 335.363 2.745 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1C ZINC000820738556 598201839 /nfs/dbraw/zinc/20/18/39/598201839.db2.gz HXDBHNUZCCBSLC-FPLPWBNLSA-N -1 0 328.368 2.741 20 30 EFEDRM CSc1nc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2s1 ZINC000820912667 598221955 /nfs/dbraw/zinc/22/19/55/598221955.db2.gz IOHCSTGODURGOF-CQSZACIVSA-N -1 0 335.410 2.961 20 30 EFEDRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602313 598222209 /nfs/dbraw/zinc/22/22/09/598222209.db2.gz ZFIGKZGLAINWCR-CQSZACIVSA-N -1 0 329.183 2.956 20 30 EFEDRM Cc1cc(Br)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820953761 598222226 /nfs/dbraw/zinc/22/22/26/598222226.db2.gz BCRXBHRFOVSVCJ-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000819857173 598222398 /nfs/dbraw/zinc/22/23/98/598222398.db2.gz UAFNJQMQSRTVLH-INIZCTEOSA-N -1 0 330.340 2.671 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC000820115609 598222491 /nfs/dbraw/zinc/22/24/91/598222491.db2.gz XWPZPTWUDLSGFO-XPTSAGLGSA-N -1 0 339.189 2.631 20 30 EFEDRM COc1ccc2cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853867 598223496 /nfs/dbraw/zinc/22/34/96/598223496.db2.gz WDBWHKCMRXXOFV-GOSISDBHSA-N -1 0 327.336 2.896 20 30 EFEDRM CN(CCCOc1cccc(Cl)c1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820592279 598224866 /nfs/dbraw/zinc/22/48/66/598224866.db2.gz YENFDEQAVFZUPK-INIZCTEOSA-N -1 0 338.791 2.572 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000819865072 598225048 /nfs/dbraw/zinc/22/50/48/598225048.db2.gz GYDFAYWFIQPTAV-HNNXBMFYSA-N -1 0 333.344 2.892 20 30 EFEDRM Cc1cc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)c(C)o1 ZINC000820949390 598225115 /nfs/dbraw/zinc/22/51/15/598225115.db2.gz VMCZCZGWHUSNMU-OAHLLOKOSA-N -1 0 333.369 2.963 20 30 EFEDRM CCCC(=O)Nc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C ZINC000820303437 598225294 /nfs/dbraw/zinc/22/52/94/598225294.db2.gz CATBSDACBGLDTJ-QGZVFWFLSA-N -1 0 331.372 2.677 20 30 EFEDRM Cc1cc(Cl)ccc1OCCCNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820976636 598225364 /nfs/dbraw/zinc/22/53/64/598225364.db2.gz NJJQWUGGGBJJLW-INIZCTEOSA-N -1 0 338.791 2.538 20 30 EFEDRM Cc1ccc(C)c(OC2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000821076020 598225503 /nfs/dbraw/zinc/22/55/03/598225503.db2.gz PSTFDVUENCNCJJ-IBGZPJMESA-N -1 0 344.411 2.678 20 30 EFEDRM COc1cc2nc(C)sc2cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820804994 598226389 /nfs/dbraw/zinc/22/63/89/598226389.db2.gz GKYPDYXXNZDUEL-OAHLLOKOSA-N -1 0 333.369 2.556 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000819857512 598226934 /nfs/dbraw/zinc/22/69/34/598226934.db2.gz XSELEOCTFCMQTD-MRXNPFEDSA-N -1 0 335.791 2.883 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000819834303 598227700 /nfs/dbraw/zinc/22/77/00/598227700.db2.gz MYECOAMBGYRWPZ-LPHOPBHVSA-N -1 0 344.411 2.591 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000819857411 598227706 /nfs/dbraw/zinc/22/77/06/598227706.db2.gz XBTQFOBXCHEWHS-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820278337 598229209 /nfs/dbraw/zinc/22/92/09/598229209.db2.gz MRSQYSFURQOFHJ-KRTXAFLBSA-N -1 0 349.334 2.734 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000820115410 598229442 /nfs/dbraw/zinc/22/94/42/598229442.db2.gz VTEJQHYNCVOLNL-YJYMSZOUSA-N -1 0 337.379 2.930 20 30 EFEDRM CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Oc1ccccc1Cl ZINC000820278224 598229530 /nfs/dbraw/zinc/22/95/30/598229530.db2.gz JYCKIHGKBMMCNT-ZBEGNZNMSA-N -1 0 338.791 2.618 20 30 EFEDRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820266863 598230067 /nfs/dbraw/zinc/23/00/67/598230067.db2.gz WGBVKLYKMYVNGW-FZKQIMNGSA-N -1 0 332.400 2.793 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCNC(=O)[O-] ZINC000737179704 599710695 /nfs/dbraw/zinc/71/06/95/599710695.db2.gz RCZNNFJSXBCKAN-UHFFFAOYSA-N -1 0 326.736 2.564 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCNC(=O)[O-] ZINC000738474096 599720496 /nfs/dbraw/zinc/72/04/96/599720496.db2.gz JJBZNXAWYZMYOB-UHFFFAOYSA-N -1 0 340.339 2.650 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])nc1 ZINC000739106270 599728775 /nfs/dbraw/zinc/72/87/75/599728775.db2.gz RFNYHVXKULTGCA-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000736696100 599730148 /nfs/dbraw/zinc/73/01/48/599730148.db2.gz HGHUAAQUFCKPHM-GFCCVEGCSA-N -1 0 325.320 2.940 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000736692035 599730451 /nfs/dbraw/zinc/73/04/51/599730451.db2.gz SMISCPPFLMHGKF-GFCCVEGCSA-N -1 0 325.320 2.940 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCN(C)C(=O)[O-] ZINC000736432417 599745369 /nfs/dbraw/zinc/74/53/69/599745369.db2.gz NOXKCMQONOIZOR-UHFFFAOYSA-N -1 0 331.416 2.933 20 30 EFEDRM C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000736605614 599773182 /nfs/dbraw/zinc/77/31/82/599773182.db2.gz LXKUHHNQPBHHOK-CYBMUJFWSA-N -1 0 338.363 2.588 20 30 EFEDRM CC[C@](C)(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736861683 599796869 /nfs/dbraw/zinc/79/68/69/599796869.db2.gz SOQXLEJABCPYEB-SFHVURJKSA-N -1 0 342.351 2.713 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCNC(=O)[O-] ZINC000737267139 599798387 /nfs/dbraw/zinc/79/83/87/599798387.db2.gz MLLAQCJDQONCHW-CQSZACIVSA-N -1 0 345.399 2.507 20 30 EFEDRM Cc1ccc(-c2csc(C(C#N)C(=O)CCNC(=O)[O-])n2)cc1 ZINC000738488062 599798875 /nfs/dbraw/zinc/79/88/75/599798875.db2.gz FTSPZUWCMXKLBN-LBPRGKRZSA-N -1 0 329.381 2.953 20 30 EFEDRM O=C([O-])N1CCC[C@H](/N=C\c2cc(Br)ccc2O)C1 ZINC000739925102 599801484 /nfs/dbraw/zinc/80/14/84/599801484.db2.gz UHHKQWHMGGFLQT-URXIRXLPSA-N -1 0 327.178 2.716 20 30 EFEDRM O=C([O-])N1CCC[C@H](/N=C/c2cc(Br)ccc2O)C1 ZINC000739925099 599801538 /nfs/dbraw/zinc/80/15/38/599801538.db2.gz UHHKQWHMGGFLQT-BXRZMRDGSA-N -1 0 327.178 2.716 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2ccsc2C(=O)[O-])ccc1Cl ZINC000739098288 599802158 /nfs/dbraw/zinc/80/21/58/599802158.db2.gz BURVIPOLFTZJTR-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM C=CCCC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736097321 599817197 /nfs/dbraw/zinc/81/71/97/599817197.db2.gz GVFZWROLOCIKPS-INIZCTEOSA-N -1 0 336.819 2.576 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000738432999 599835798 /nfs/dbraw/zinc/83/57/98/599835798.db2.gz ULAQLDCKGKVAKO-QGZVFWFLSA-N -1 0 336.347 2.831 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000739122448 599839239 /nfs/dbraw/zinc/83/92/39/599839239.db2.gz FYRSBOBECSBCLB-KRWDZBQOSA-N -1 0 343.427 2.678 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)CCCN(C)C(=O)[O-] ZINC000736088649 599841387 /nfs/dbraw/zinc/84/13/87/599841387.db2.gz YLLCMWQBKPUUTJ-UHFFFAOYSA-N -1 0 340.383 2.512 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(F)c(C)c1 ZINC000736124421 599850993 /nfs/dbraw/zinc/85/09/93/599850993.db2.gz CEJUGKFMZNPDDG-OAHLLOKOSA-N -1 0 346.358 2.538 20 30 EFEDRM CC(C)N(CC(=O)[O-])CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000736202353 599855862 /nfs/dbraw/zinc/85/58/62/599855862.db2.gz MPPNOEMRUWTWAZ-CYBMUJFWSA-N -1 0 349.456 2.672 20 30 EFEDRM Cc1cc(C(=O)NC(C)(C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738200803 599868561 /nfs/dbraw/zinc/86/85/61/599868561.db2.gz DDCIVOOYWIFHKL-UHFFFAOYSA-N -1 0 325.368 2.559 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736090290 599880753 /nfs/dbraw/zinc/88/07/53/599880753.db2.gz ZKGZVUHGKDHQIZ-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000739123784 599883754 /nfs/dbraw/zinc/88/37/54/599883754.db2.gz VGVUZMSDQQYCBQ-HNNXBMFYSA-N -1 0 340.335 2.562 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cc(C(=O)[O-])ccc2O)o1 ZINC000736452750 599906299 /nfs/dbraw/zinc/90/62/99/599906299.db2.gz FDTNHKYUWBHUNX-UHFFFAOYSA-N -1 0 328.328 2.595 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000736089825 599908070 /nfs/dbraw/zinc/90/80/70/599908070.db2.gz QSJKCNKPQDHKPY-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM COc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000738030364 599909489 /nfs/dbraw/zinc/90/94/89/599909489.db2.gz AENQBYVSQMUEDQ-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM N#C[C@@H](NC(=O)CCSCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739074003 599919065 /nfs/dbraw/zinc/91/90/65/599919065.db2.gz GMKMWJYPVTZIJI-SNVBAGLBSA-N -1 0 347.223 2.882 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000237050888 599925084 /nfs/dbraw/zinc/92/50/84/599925084.db2.gz BBULUWHTDZCHCP-UHFFFAOYSA-N -1 0 335.406 2.643 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000736091453 599925716 /nfs/dbraw/zinc/92/57/16/599925716.db2.gz UQWMVUAENVYBMB-UHFFFAOYSA-N -1 0 335.406 2.643 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=S)N1 ZINC000736975925 599985767 /nfs/dbraw/zinc/98/57/67/599985767.db2.gz VGMVCOZENLGJIZ-BONVTDFDSA-N -1 0 345.424 2.635 20 30 EFEDRM Cc1cc(COC(=O)CSc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000738392677 600003110 /nfs/dbraw/zinc/00/31/10/600003110.db2.gz PNIYTYAZFGDHFS-UHFFFAOYSA-N -1 0 331.349 2.993 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000736102766 600050004 /nfs/dbraw/zinc/05/00/04/600050004.db2.gz WZWZOKDCFNJJGW-SECBINFHSA-N -1 0 335.385 2.618 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cn1 ZINC000736093741 600063333 /nfs/dbraw/zinc/06/33/33/600063333.db2.gz ZJQAPVFDCQGSRQ-MRXNPFEDSA-N -1 0 340.404 2.731 20 30 EFEDRM N#CCOc1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739088040 600068955 /nfs/dbraw/zinc/06/89/55/600068955.db2.gz OTNMXDIMJGSIKE-UHFFFAOYSA-N -1 0 338.363 2.536 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738473893 600070758 /nfs/dbraw/zinc/07/07/58/600070758.db2.gz FDRXCBJJQVNYFZ-KBPBESRZSA-N -1 0 337.335 2.713 20 30 EFEDRM N#CCCCCS(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000739072813 600081714 /nfs/dbraw/zinc/08/17/14/600081714.db2.gz MWRQTBGVQHIVQS-UHFFFAOYSA-N -1 0 333.365 2.940 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(C#N)cc1 ZINC000737171317 600085269 /nfs/dbraw/zinc/08/52/69/600085269.db2.gz UBCXSYPXPBMEFJ-UHFFFAOYSA-N -1 0 342.351 2.528 20 30 EFEDRM C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)[O-])cc1Cl ZINC000736114565 600091118 /nfs/dbraw/zinc/09/11/18/600091118.db2.gz XDUSAHNIZYDPPN-CYBMUJFWSA-N -1 0 338.816 2.782 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739129637 600091909 /nfs/dbraw/zinc/09/19/09/600091909.db2.gz YWSAKTQOWAJJSC-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(OCCCN2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000739128757 600127566 /nfs/dbraw/zinc/12/75/66/600127566.db2.gz JXGZLMYCUXXJTE-GOSISDBHSA-N -1 0 338.363 2.679 20 30 EFEDRM N#Cc1ccc(CNC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739117274 600127587 /nfs/dbraw/zinc/12/75/87/600127587.db2.gz CKNBJKXZZYOURH-UHFFFAOYSA-N -1 0 342.330 2.516 20 30 EFEDRM CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(=O)[O-] ZINC000737400207 600136894 /nfs/dbraw/zinc/13/68/94/600136894.db2.gz YJXRHXHIIBHBST-UHFFFAOYSA-N -1 0 349.456 2.622 20 30 EFEDRM C=CCn1c(SCC(=O)c2cc(C(=O)[O-])co2)nnc1C1CC1 ZINC000736117927 600147380 /nfs/dbraw/zinc/14/73/80/600147380.db2.gz OPETZKPGDNDNKN-UHFFFAOYSA-N -1 0 333.369 2.608 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736108367 600149092 /nfs/dbraw/zinc/14/90/92/600149092.db2.gz BGJCFKFUXGVRMH-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM C#CCOc1ccccc1OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736087937 600168333 /nfs/dbraw/zinc/16/83/33/600168333.db2.gz NDCCEFAFAGNBQB-UHFFFAOYSA-N -1 0 327.336 2.603 20 30 EFEDRM CON=Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737840324 600195249 /nfs/dbraw/zinc/19/52/49/600195249.db2.gz XJJRTMIYSMJJPR-INIZCTEOSA-N -1 0 326.352 2.565 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(C#N)cn1)C(=O)[O-] ZINC000736715749 600198971 /nfs/dbraw/zinc/19/89/71/600198971.db2.gz HDSVCVSAZJMFEG-SNVBAGLBSA-N -1 0 327.365 2.771 20 30 EFEDRM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)(C)C(=O)[O-] ZINC000737339041 600199022 /nfs/dbraw/zinc/19/90/22/600199022.db2.gz OULZYAVAFXUVHR-UHFFFAOYSA-N -1 0 339.351 2.681 20 30 EFEDRM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000738425933 600254930 /nfs/dbraw/zinc/25/49/30/600254930.db2.gz QKBVBFGORZTBIR-UHFFFAOYSA-N -1 0 330.727 2.818 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000736849229 600262941 /nfs/dbraw/zinc/26/29/41/600262941.db2.gz QIJJTDTZMWRGIB-GDBMZVCRSA-N -1 0 347.415 2.666 20 30 EFEDRM N#Cc1cn(CCCC(=O)[O-])c2ccc(Br)cc2c1=O ZINC000738435963 600275041 /nfs/dbraw/zinc/27/50/41/600275041.db2.gz VFQAJAOGVSXABH-UHFFFAOYSA-N -1 0 335.157 2.500 20 30 EFEDRM CN(Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1)C(=O)[O-] ZINC000737485279 600283963 /nfs/dbraw/zinc/28/39/63/600283963.db2.gz GMPHNAFWSAXZNI-UHFFFAOYSA-N -1 0 339.351 2.951 20 30 EFEDRM CN(Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1)C(=O)[O-] ZINC000737486891 600313304 /nfs/dbraw/zinc/31/33/04/600313304.db2.gz YGJUGEHDJGATPW-UHFFFAOYSA-N -1 0 327.300 2.715 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000736096516 600346571 /nfs/dbraw/zinc/34/65/71/600346571.db2.gz OKLCCWDNOUZSFZ-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736095459 600353155 /nfs/dbraw/zinc/35/31/55/600353155.db2.gz YHOIICMZNPQLDJ-UHFFFAOYSA-N -1 0 346.431 2.616 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737451536 600353618 /nfs/dbraw/zinc/35/36/18/600353618.db2.gz PFDSRZRYXKKOSQ-UHFFFAOYSA-N -1 0 338.367 2.990 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739087519 600369916 /nfs/dbraw/zinc/36/99/16/600369916.db2.gz JNYSHNNCGGBUAO-QGZVFWFLSA-N -1 0 325.320 2.501 20 30 EFEDRM Cc1nonc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738956235 600383483 /nfs/dbraw/zinc/38/34/83/600383483.db2.gz GZHTYEIKJQCYKD-UHFFFAOYSA-N -1 0 347.330 2.728 20 30 EFEDRM CC[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736850420 600399984 /nfs/dbraw/zinc/39/99/84/600399984.db2.gz HRQPJISUDZEEPX-MRXNPFEDSA-N -1 0 344.392 2.617 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000739085911 600403253 /nfs/dbraw/zinc/40/32/53/600403253.db2.gz FHRWQUXFVJFNQN-UHFFFAOYSA-N -1 0 345.742 2.578 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000738319465 600408771 /nfs/dbraw/zinc/40/87/71/600408771.db2.gz LKNWKDKPFRQLGP-UHFFFAOYSA-N -1 0 345.786 2.798 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000739086605 600409428 /nfs/dbraw/zinc/40/94/28/600409428.db2.gz HNMCSUGILHHHPP-UHFFFAOYSA-N -1 0 341.801 2.575 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000739077337 600409977 /nfs/dbraw/zinc/40/99/77/600409977.db2.gz MBZBWEJAEHHOHX-DAFODLJHSA-N -1 0 346.692 2.809 20 30 EFEDRM Cc1ccc(-c2cc(C(=O)N(CC#N)CC(=O)[O-])c3ccccc3n2)o1 ZINC000738486691 600410005 /nfs/dbraw/zinc/41/00/05/600410005.db2.gz HDICFYLQCJOCPQ-UHFFFAOYSA-N -1 0 349.346 2.854 20 30 EFEDRM O=C([O-])CCCOc1ccc(N=Cc2ccc(O)c(O)c2O)cc1 ZINC000739682810 600473156 /nfs/dbraw/zinc/47/31/56/600473156.db2.gz MKVAXSRMABGDTN-UHFFFAOYSA-N -1 0 331.324 2.798 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000739139065 600478341 /nfs/dbraw/zinc/47/83/41/600478341.db2.gz CRVPWUXRSNLPDL-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccccc1-c1ccc(Cn2nc(C(=O)[O-])ccc2=O)cc1 ZINC000739139916 600519895 /nfs/dbraw/zinc/51/98/95/600519895.db2.gz LXVHHCBGKWUSFP-UHFFFAOYSA-N -1 0 331.331 2.528 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000738432691 600523273 /nfs/dbraw/zinc/52/32/73/600523273.db2.gz OXGRYTWZGUEMED-INIZCTEOSA-N -1 0 336.351 2.866 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)s1 ZINC000739098978 600528953 /nfs/dbraw/zinc/52/89/53/600528953.db2.gz NGHZQZKOPUJYIW-KGLIPLIRSA-N -1 0 326.377 2.624 20 30 EFEDRM Cc1cccc(C)c1OCCCn1cc(C(=O)[O-])cc(C#N)c1=O ZINC000738688461 600532636 /nfs/dbraw/zinc/53/26/36/600532636.db2.gz IKQDRPLWUBWPNS-UHFFFAOYSA-N -1 0 326.352 2.504 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000736114513 600532941 /nfs/dbraw/zinc/53/29/41/600532941.db2.gz NIOWRWQCBYHAFX-OAHLLOKOSA-N -1 0 335.400 2.661 20 30 EFEDRM C[C@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000736697623 600537092 /nfs/dbraw/zinc/53/70/92/600537092.db2.gz MYJUZXBTJMSKSW-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCC(O)CC3)cc2)o1 ZINC000739216535 600552635 /nfs/dbraw/zinc/55/26/35/600552635.db2.gz SZBZGYPDWQEDEE-ALCCZGGFSA-N -1 0 341.363 2.835 20 30 EFEDRM CCOc1cccc(/C=N/Cc2cccc(OCC(=O)[O-])c2)c1O ZINC000737211500 600567165 /nfs/dbraw/zinc/56/71/65/600567165.db2.gz VGQQKAHTPQALEX-YBFXNURJSA-N -1 0 329.352 2.873 20 30 EFEDRM Cc1csc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)n1 ZINC000738817120 600567796 /nfs/dbraw/zinc/56/77/96/600567796.db2.gz UCVVLKZOVYWYLE-GJZGRUSLSA-N -1 0 343.408 2.522 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000737450810 600568985 /nfs/dbraw/zinc/56/89/85/600568985.db2.gz DFXKWPVZLGXBAG-UHFFFAOYSA-N -1 0 349.350 2.797 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)cn1 ZINC000739104487 600570237 /nfs/dbraw/zinc/57/02/37/600570237.db2.gz GTLSXBQVGAWWKL-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736708564 600590242 /nfs/dbraw/zinc/59/02/42/600590242.db2.gz UMAVZFZTPBWBDK-CXAGYDPISA-N -1 0 338.363 2.610 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(N3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739110228 600590713 /nfs/dbraw/zinc/59/07/13/600590713.db2.gz PEXRBZGRPOXZBK-GOSISDBHSA-N -1 0 335.363 2.923 20 30 EFEDRM CC(=O)N1CCc2cc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc21 ZINC000736139595 600591027 /nfs/dbraw/zinc/59/10/27/600591027.db2.gz RXMUUDPPDVCEPJ-GOSISDBHSA-N -1 0 335.363 2.705 20 30 EFEDRM CCn1c(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)nc2ccccc21 ZINC000737296364 600591116 /nfs/dbraw/zinc/59/11/16/600591116.db2.gz YPCHFTWBJVVHSU-SFHVURJKSA-N -1 0 334.379 2.843 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(Cl)c(C(N)=O)c2)C(=O)[O-])cc1 ZINC000739110252 600592958 /nfs/dbraw/zinc/59/29/58/600592958.db2.gz PGHRZGFMBVYMHQ-AWEZNQCLSA-N -1 0 329.743 2.548 20 30 EFEDRM COC(=O)[C@@H](Nc1cccc(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737577261 600594576 /nfs/dbraw/zinc/59/45/76/600594576.db2.gz JEZODMRGMNPYNI-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM COc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1NC(C)=O ZINC000737894774 600594720 /nfs/dbraw/zinc/59/47/20/600594720.db2.gz BSKWGTIXSJDUNC-QGZVFWFLSA-N -1 0 339.351 2.763 20 30 EFEDRM COC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737643079 600594762 /nfs/dbraw/zinc/59/47/62/600594762.db2.gz JKIJOYKDYOFTKC-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737822511 600595689 /nfs/dbraw/zinc/59/56/89/600595689.db2.gz VOKMUIGNMZZOPU-QGZVFWFLSA-N -1 0 344.342 2.960 20 30 EFEDRM C[C@@H](CS[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(=O)[O-] ZINC000736760307 600599978 /nfs/dbraw/zinc/59/99/78/600599978.db2.gz CBBIXIXPIYPXBZ-BTJONVMOSA-N -1 0 326.462 2.760 20 30 EFEDRM CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737195935 600604807 /nfs/dbraw/zinc/60/48/07/600604807.db2.gz ZYQDLIPIMZEHNS-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM C[C@H](CS[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000736616453 600605128 /nfs/dbraw/zinc/60/51/28/600605128.db2.gz LBKQWANIMWAQNS-BDAKNGLRSA-N -1 0 326.805 2.993 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)COc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739109802 600605237 /nfs/dbraw/zinc/60/52/37/600605237.db2.gz NGBPCHXIBPOZQE-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739108808 600605971 /nfs/dbraw/zinc/60/59/71/600605971.db2.gz GZRPSXFMYOBUOT-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702943 600607369 /nfs/dbraw/zinc/60/73/69/600607369.db2.gz HNJOIVJYWJVLSQ-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640072 600607691 /nfs/dbraw/zinc/60/76/91/600607691.db2.gz XZZASKCIGPYVAD-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM COCc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737834359 600608097 /nfs/dbraw/zinc/60/80/97/600608097.db2.gz RHOZDRDJWKIAJE-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccc(C)c(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738577157 600609959 /nfs/dbraw/zinc/60/99/59/600609959.db2.gz OZBZLZIAXHSUPP-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736701505 600610426 /nfs/dbraw/zinc/61/04/26/600610426.db2.gz WQDWXLFAYNVGCF-SUMWQHHRSA-N -1 0 339.347 2.832 20 30 EFEDRM CC(=O)c1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736193623 600611672 /nfs/dbraw/zinc/61/16/72/600611672.db2.gz XAFWRQMTYWYCLJ-GOSISDBHSA-N -1 0 337.331 2.672 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccn(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000739117240 600611738 /nfs/dbraw/zinc/61/17/38/600611738.db2.gz KHASOWCDNOAXMO-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736492210 600611777 /nfs/dbraw/zinc/61/17/77/600611777.db2.gz WVCMFGHHSWPGLD-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736605330 600616281 /nfs/dbraw/zinc/61/62/81/600616281.db2.gz AXKNBUGNBAKDAY-CYBMUJFWSA-N -1 0 338.363 2.588 20 30 EFEDRM CC(=O)c1csc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736196777 600616458 /nfs/dbraw/zinc/61/64/58/600616458.db2.gz OUJZNDYORNCKMH-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM COc1cc(C)cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1O ZINC000737866382 600616794 /nfs/dbraw/zinc/61/67/94/600616794.db2.gz AFNWFVZKHNYDGY-MRXNPFEDSA-N -1 0 341.319 2.564 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3cccnc3c2N)C(=O)[O-])cc1 ZINC000739115624 600617220 /nfs/dbraw/zinc/61/72/20/600617220.db2.gz UMEQVZIEHAOFKR-KRWDZBQOSA-N -1 0 347.330 2.671 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccncc1 ZINC000736096032 600638115 /nfs/dbraw/zinc/63/81/15/600638115.db2.gz GCLJKXAELUMFCD-HNNXBMFYSA-N -1 0 346.408 2.684 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC000736243550 600643020 /nfs/dbraw/zinc/64/30/20/600643020.db2.gz WLFDQIUHDHVVTQ-INIZCTEOSA-N -1 0 332.400 2.723 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736097316 600656848 /nfs/dbraw/zinc/65/68/48/600656848.db2.gz GQBPGHSZALYYPB-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM N#Cc1cccc(-c2nnc(COC(=O)c3ccccc3C(=O)[O-])o2)c1 ZINC000833074431 600659178 /nfs/dbraw/zinc/65/91/78/600659178.db2.gz XVXYBMGHBGNXHZ-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000833072161 600677992 /nfs/dbraw/zinc/67/79/92/600677992.db2.gz PFYJQFYDGBROAB-UHFFFAOYSA-N -1 0 346.726 2.541 20 30 EFEDRM C#CCOc1ccc(F)cc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000736089403 600680332 /nfs/dbraw/zinc/68/03/32/600680332.db2.gz KIBCQRKFLDYLDS-UHFFFAOYSA-N -1 0 342.326 2.587 20 30 EFEDRM N#Cc1ccccc1OS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000739143012 600688005 /nfs/dbraw/zinc/68/80/05/600688005.db2.gz VCAKFMWEZIOSCR-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM COc1cccc(F)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832558952 600702686 /nfs/dbraw/zinc/70/26/86/600702686.db2.gz ULIMVSUMTNWABB-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000832213565 600704216 /nfs/dbraw/zinc/70/42/16/600704216.db2.gz RLVBEWUJOXOWQI-INIZCTEOSA-N -1 0 325.320 2.858 20 30 EFEDRM CCn1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC000830440893 600705029 /nfs/dbraw/zinc/70/50/29/600705029.db2.gz KPQUULDBYJZCKA-CYBMUJFWSA-N -1 0 347.758 2.719 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000833072667 600719785 /nfs/dbraw/zinc/71/97/85/600719785.db2.gz OTFWLTUQBGPNCB-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM COC(=O)c1c(N)sc(C(=O)[O-])c1CSc1ccccc1C#N ZINC000831230941 600729571 /nfs/dbraw/zinc/72/95/71/600729571.db2.gz ROJIEMHTGSFAPQ-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832858869 600777304 /nfs/dbraw/zinc/77/73/04/600777304.db2.gz JUFOVWHTXHBMST-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC(C)(C)CC(=O)[O-])cc1OC ZINC000736113711 600778279 /nfs/dbraw/zinc/77/82/79/600778279.db2.gz AQZHSHMKIJZZNI-CLFYSBASSA-N -1 0 333.384 2.643 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000830815263 600778467 /nfs/dbraw/zinc/77/84/67/600778467.db2.gz ZRQCAEVIENZLED-UHFFFAOYSA-N -1 0 341.342 2.737 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 ZINC000828134074 600783297 /nfs/dbraw/zinc/78/32/97/600783297.db2.gz CRIMJLLDDRPIDB-AWEZNQCLSA-N -1 0 343.364 2.838 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 ZINC000828134076 600783301 /nfs/dbraw/zinc/78/33/01/600783301.db2.gz CRIMJLLDDRPIDB-CQSZACIVSA-N -1 0 343.364 2.838 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000825698915 600794130 /nfs/dbraw/zinc/79/41/30/600794130.db2.gz OXERFXOJVBKKOR-UHFFFAOYSA-N -1 0 334.349 2.717 20 30 EFEDRM N#Cc1ccnc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833076697 600806243 /nfs/dbraw/zinc/80/62/43/600806243.db2.gz MTCRZARSSSFBQN-NSHDSACASA-N -1 0 345.405 2.611 20 30 EFEDRM O=C([O-])c1coc(CON=CC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000833095364 600806424 /nfs/dbraw/zinc/80/64/24/600806424.db2.gz NFGJCPYLXSFNDZ-UHFFFAOYSA-N -1 0 340.694 2.911 20 30 EFEDRM N#CCCN(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833065551 600832623 /nfs/dbraw/zinc/83/26/23/600832623.db2.gz GUKBIKYFAQAEMV-UHFFFAOYSA-N -1 0 328.290 2.622 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736075869 600878167 /nfs/dbraw/zinc/87/81/67/600878167.db2.gz IGZSOUUUCXBEGE-UHFFFAOYSA-N -1 0 343.310 2.553 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000736089246 600893076 /nfs/dbraw/zinc/89/30/76/600893076.db2.gz IRUHYSWTPQUYOT-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C#CCOc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000736077131 600900887 /nfs/dbraw/zinc/90/08/87/600900887.db2.gz YNJQDJGJXFQHNN-UHFFFAOYSA-N -1 0 327.336 2.570 20 30 EFEDRM C[C@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000825966522 600921221 /nfs/dbraw/zinc/92/12/21/600921221.db2.gz GBQUTDMJRMXPHX-VXGBXAGGSA-N -1 0 327.340 2.622 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000738958118 600927699 /nfs/dbraw/zinc/92/76/99/600927699.db2.gz QJKLLKQZWWLNJZ-ZDUSSCGKSA-N -1 0 343.383 2.727 20 30 EFEDRM CC(C)n1ccc(=O)nc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736532173 600936972 /nfs/dbraw/zinc/93/69/72/600936972.db2.gz ASTUQDQFUYIHNA-CQSZACIVSA-N -1 0 329.381 2.614 20 30 EFEDRM CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1F ZINC000738174687 600983049 /nfs/dbraw/zinc/98/30/49/600983049.db2.gz CFOBVCAEZRCMJJ-YWEYNIOJSA-N -1 0 348.351 2.824 20 30 EFEDRM N#Cc1ccc(-c2nnc(COc3ccc(C(=O)[O-])cc3C=O)o2)cc1 ZINC000739101693 600985810 /nfs/dbraw/zinc/98/58/10/600985810.db2.gz KRGNBTPASAMAOW-UHFFFAOYSA-N -1 0 349.302 2.698 20 30 EFEDRM N#Cc1ccc(SCC(=O)NC2(C(=O)[O-])CCCCC2)c(F)c1 ZINC000739132783 600987022 /nfs/dbraw/zinc/98/70/22/600987022.db2.gz SWZDDBWOKFJXRJ-UHFFFAOYSA-N -1 0 336.388 2.693 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833075571 600995058 /nfs/dbraw/zinc/99/50/58/600995058.db2.gz TUSBLNIJJBJYDZ-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM N#CCN(CCOc1ccc(Oc2ccccc2)cc1)CC(=O)[O-] ZINC000833066829 601004654 /nfs/dbraw/zinc/00/46/54/601004654.db2.gz IVNUHYQKTUGRIR-UHFFFAOYSA-N -1 0 326.352 2.768 20 30 EFEDRM N#CCOc1ccc(Cl)cc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000833068153 601014707 /nfs/dbraw/zinc/01/47/07/601014707.db2.gz QXKPOOQGRCTNPJ-CYBMUJFWSA-N -1 0 340.832 2.634 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000739077850 601020365 /nfs/dbraw/zinc/02/03/65/601020365.db2.gz UTTRBVGSJVSZTP-RYUDHWBXSA-N -1 0 327.167 2.534 20 30 EFEDRM CCCCN1C(=O)N[C@@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736993917 601045294 /nfs/dbraw/zinc/04/52/94/601045294.db2.gz KZJCLZCISGETSH-INIZCTEOSA-N -1 0 343.383 2.792 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000825631443 601098463 /nfs/dbraw/zinc/09/84/63/601098463.db2.gz DWHACRBBOUNXJP-UHFFFAOYSA-N -1 0 334.347 2.556 20 30 EFEDRM CCN(C(=O)CCc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000737053108 601111642 /nfs/dbraw/zinc/11/16/42/601111642.db2.gz KSWIAEQQTHETTO-UHFFFAOYSA-N -1 0 329.381 2.699 20 30 EFEDRM C=CCc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000013072632 601138920 /nfs/dbraw/zinc/13/89/20/601138920.db2.gz PMOQCOOVNVGFEG-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM N#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC000833064626 601139919 /nfs/dbraw/zinc/13/99/19/601139919.db2.gz TUDLJSBRQJSOSU-MRXNPFEDSA-N -1 0 339.395 2.928 20 30 EFEDRM N#Cc1ccc(CCC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000833072436 601145104 /nfs/dbraw/zinc/14/51/04/601145104.db2.gz MOUGYXBPDKOUHF-UHFFFAOYSA-N -1 0 326.327 2.748 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cn2ccccc12 ZINC000833068740 601181573 /nfs/dbraw/zinc/18/15/73/601181573.db2.gz BYPKGQLAGNDMMR-CHWSQXEVSA-N -1 0 326.352 2.745 20 30 EFEDRM N#Cc1c(F)cccc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833067294 601201265 /nfs/dbraw/zinc/20/12/65/601201265.db2.gz AEJLASOWTNVIAW-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832910434 601226898 /nfs/dbraw/zinc/22/68/98/601226898.db2.gz JSKFWZVVDQIEMP-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM O=C([O-])c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccn1 ZINC000833159786 601243158 /nfs/dbraw/zinc/24/31/58/601243158.db2.gz IORGGJQWBIAQRD-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CC[C@H]1CCOC1 ZINC000825702273 601252230 /nfs/dbraw/zinc/25/22/30/601252230.db2.gz HKLIGWIUFBAFQE-LBPRGKRZSA-N -1 0 334.368 2.844 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000833041740 601257145 /nfs/dbraw/zinc/25/71/45/601257145.db2.gz PKGQGEDDFIKOCA-UHFFFAOYSA-N -1 0 349.140 2.577 20 30 EFEDRM Cc1cc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1C(=O)[O-] ZINC000832896326 601265669 /nfs/dbraw/zinc/26/56/69/601265669.db2.gz FWSJPUUJFCKXKH-KRWDZBQOSA-N -1 0 335.363 2.782 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)C#Cc2ccccc2)c(OC(F)F)c1 ZINC000833092227 601284727 /nfs/dbraw/zinc/28/47/27/601284727.db2.gz UABLQLDFUVBROD-UHFFFAOYSA-N -1 0 331.274 2.976 20 30 EFEDRM CCC1CCC(NC(=O)c2ccc(C=NOC)cc2)(C(=O)[O-])CC1 ZINC000829094275 601296070 /nfs/dbraw/zinc/29/60/70/601296070.db2.gz UFNSTFAYIWYXBJ-UHFFFAOYSA-N -1 0 332.400 2.820 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(C(=O)NC3CC3)cc2)C(=O)[O-])c1 ZINC000833076316 601299922 /nfs/dbraw/zinc/29/99/22/601299922.db2.gz UAOPUSDZSVETNC-KRWDZBQOSA-N -1 0 335.363 2.688 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(Cl)c(C(N)=O)c2)C(=O)[O-])c1 ZINC000833076826 601300420 /nfs/dbraw/zinc/30/04/20/601300420.db2.gz ZTQFCDIYRDXFRU-AWEZNQCLSA-N -1 0 329.743 2.548 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(CN3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833076621 601301454 /nfs/dbraw/zinc/30/14/54/601301454.db2.gz XJGDGCXDAACLMD-LJQANCHMSA-N -1 0 349.390 2.918 20 30 EFEDRM COC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831210913 601302170 /nfs/dbraw/zinc/30/21/70/601302170.db2.gz XABQTQFWMLRIHP-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM Cc1ccccc1N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832978508 601309249 /nfs/dbraw/zinc/30/92/49/601309249.db2.gz IPOFODZKFWNSFS-IBGZPJMESA-N -1 0 335.407 2.815 20 30 EFEDRM CC(C)c1nc2c(n1C)CCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000827152221 601316022 /nfs/dbraw/zinc/31/60/22/601316022.db2.gz DAHXKFVDHDONBA-KRWDZBQOSA-N -1 0 338.411 2.599 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1 ZINC000829852453 601331349 /nfs/dbraw/zinc/33/13/49/601331349.db2.gz DOWGFRQPAZGJGM-VQHVLOKHSA-N -1 0 343.335 2.551 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1OC ZINC000831773794 601331668 /nfs/dbraw/zinc/33/16/68/601331668.db2.gz JDGJVLMTTNRRDG-FNORWQNLSA-N -1 0 345.351 2.643 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000832212595 601344197 /nfs/dbraw/zinc/34/41/97/601344197.db2.gz JAVIOMXEMXVXOX-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1cccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832972278 601344307 /nfs/dbraw/zinc/34/43/07/601344307.db2.gz UXTCGOZHIDGFQN-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM COc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832608689 601345017 /nfs/dbraw/zinc/34/50/17/601345017.db2.gz VSRUBXXRUVFTGS-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccccc3c(=O)[nH]2)C(=O)[O-])c1 ZINC000833077526 601345567 /nfs/dbraw/zinc/34/55/67/601345567.db2.gz VKNASSPRGQMJHP-INIZCTEOSA-N -1 0 348.314 2.795 20 30 EFEDRM CCn1c(C)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000830411107 601345842 /nfs/dbraw/zinc/34/58/42/601345842.db2.gz BLMDGUFGGUFRDO-INIZCTEOSA-N -1 0 326.352 2.979 20 30 EFEDRM COCc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831817563 601346771 /nfs/dbraw/zinc/34/67/71/601346771.db2.gz QEEXWYZGVPMJBH-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Br)c[nH]2)C(=O)[O-])c1 ZINC000833077659 601347153 /nfs/dbraw/zinc/34/71/53/601347153.db2.gz YOIZHAKHTXMJQF-LBPRGKRZSA-N -1 0 349.140 2.632 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Br)c[nH]2)C(=O)[O-])c1 ZINC000833077658 601347169 /nfs/dbraw/zinc/34/71/69/601347169.db2.gz YOIZHAKHTXMJQF-GFCCVEGCSA-N -1 0 349.140 2.632 20 30 EFEDRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1N ZINC000832774172 601347413 /nfs/dbraw/zinc/34/74/13/601347413.db2.gz CVYHQHGIYLGRTK-OAHLLOKOSA-N -1 0 342.376 2.845 20 30 EFEDRM COc1cccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832545547 601347496 /nfs/dbraw/zinc/34/74/96/601347496.db2.gz JKDPYWRGXLNGBT-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nn1C(C)(C)C ZINC000832867742 601349460 /nfs/dbraw/zinc/34/94/60/601349460.db2.gz DDWBSCDSBWCXMW-HNNXBMFYSA-N -1 0 341.367 2.801 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3ncon3)cc2)C(=O)[O-])c1 ZINC000833077320 601353097 /nfs/dbraw/zinc/35/30/97/601353097.db2.gz PIXVEFVQGNBDJL-HNNXBMFYSA-N -1 0 349.302 2.591 20 30 EFEDRM Cc1ncc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000833008309 601353128 /nfs/dbraw/zinc/35/31/28/601353128.db2.gz UJHXMXIVGXSZPV-LLYBFZRZSA-N -1 0 328.349 2.706 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(N)c(Cl)c2)C(=O)[O-])c1 ZINC000833077253 601354033 /nfs/dbraw/zinc/35/40/33/601354033.db2.gz NZPCSWBYIPJIMU-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825631692 601354469 /nfs/dbraw/zinc/35/44/69/601354469.db2.gz JFPPWEGIXIPGEY-QGZVFWFLSA-N -1 0 335.315 2.553 20 30 EFEDRM Cc1cccc(C)c1NCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832965608 601354731 /nfs/dbraw/zinc/35/47/31/601354731.db2.gz RQFQXSGJDSCZSO-SFHVURJKSA-N -1 0 338.363 2.956 20 30 EFEDRM Cc1cccc(C)c1NCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832965607 601354774 /nfs/dbraw/zinc/35/47/74/601354774.db2.gz RQFQXSGJDSCZSO-GOSISDBHSA-N -1 0 338.363 2.956 20 30 EFEDRM C/C(=C\COC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000825765424 601411457 /nfs/dbraw/zinc/41/14/57/601411457.db2.gz QGZNHALSPZWJKE-WEVVVXLNSA-N -1 0 334.397 2.545 20 30 EFEDRM C/C(=C/COC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000825765423 601411532 /nfs/dbraw/zinc/41/15/32/601411532.db2.gz QGZNHALSPZWJKE-UITAMQMPSA-N -1 0 334.397 2.545 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000833064326 601427770 /nfs/dbraw/zinc/42/77/70/601427770.db2.gz HSWBBJHXQQEMFE-DOTOQJQBSA-N -1 0 335.363 2.692 20 30 EFEDRM CN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000818402283 601447845 /nfs/dbraw/zinc/44/78/45/601447845.db2.gz CYQVMINCJAZRHM-UHFFFAOYSA-N -1 0 326.377 2.866 20 30 EFEDRM C#Cc1ccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)nc1 ZINC000825636771 601451403 /nfs/dbraw/zinc/45/14/03/601451403.db2.gz SMWWZGLSZJBRNG-UHFFFAOYSA-N -1 0 334.331 2.780 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000830379368 601459978 /nfs/dbraw/zinc/45/99/78/601459978.db2.gz SWJYENOUKODXMM-NSHDSACASA-N -1 0 343.335 2.923 20 30 EFEDRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000828628956 601470852 /nfs/dbraw/zinc/47/08/52/601470852.db2.gz WKKWZDZKNLFHQA-QGZVFWFLSA-N -1 0 349.456 2.730 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1C#N ZINC000832794612 601520380 /nfs/dbraw/zinc/52/03/80/601520380.db2.gz JQYYAEMYCRZVGG-AWEZNQCLSA-N -1 0 345.424 2.536 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833070947 601583051 /nfs/dbraw/zinc/58/30/51/601583051.db2.gz BRZBRXKXLSVOQZ-INIZCTEOSA-N -1 0 328.755 2.696 20 30 EFEDRM CCc1noc(CC)c1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830347862 601604549 /nfs/dbraw/zinc/60/45/49/601604549.db2.gz JHNAQQGQVUIFNX-KRWDZBQOSA-N -1 0 342.351 2.583 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])cc1 ZINC000833071871 601607729 /nfs/dbraw/zinc/60/77/29/601607729.db2.gz JIPTXTUQQUYCOX-HNNXBMFYSA-N -1 0 342.257 2.691 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000833068628 601607749 /nfs/dbraw/zinc/60/77/49/601607749.db2.gz FOWVYWJLCPCKOE-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000826032144 601609400 /nfs/dbraw/zinc/60/94/00/601609400.db2.gz ZKRDYSDZUUQAHV-SCLBCKFNSA-N -1 0 337.379 2.548 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000833069078 601658685 /nfs/dbraw/zinc/65/86/85/601658685.db2.gz UDAPGSDASKMAII-NSHDSACASA-N -1 0 336.319 2.844 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000832859548 601673528 /nfs/dbraw/zinc/67/35/28/601673528.db2.gz SOMQLGNXFYRUEM-UHFFFAOYSA-N -1 0 349.346 2.709 20 30 EFEDRM C=C(Br)COC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000825641949 601681526 /nfs/dbraw/zinc/68/15/26/601681526.db2.gz BGHMCBBPMHGDTE-UHFFFAOYSA-N -1 0 343.173 2.832 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c(F)c1 ZINC000833069279 601681758 /nfs/dbraw/zinc/68/17/58/601681758.db2.gz ZMSBFHGGNJRJRT-UHFFFAOYSA-N -1 0 349.318 2.800 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2cc(C#N)cs2)C(=O)[O-])c1 ZINC000832969702 601687190 /nfs/dbraw/zinc/68/71/90/601687190.db2.gz NTWXJSKZKJLLFU-CQSZACIVSA-N -1 0 328.393 2.602 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000825659875 601690112 /nfs/dbraw/zinc/69/01/12/601690112.db2.gz JRZIBXGXQJPOQQ-LBPRGKRZSA-N -1 0 341.411 2.811 20 30 EFEDRM CC(C)(CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000826602105 601710884 /nfs/dbraw/zinc/71/08/84/601710884.db2.gz PXUPKJYGLIYBET-UHFFFAOYSA-N -1 0 339.351 2.586 20 30 EFEDRM CC(C)(CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000826607224 601712592 /nfs/dbraw/zinc/71/25/92/601712592.db2.gz OKTOVGYRFGBGOI-UHFFFAOYSA-N -1 0 342.351 2.571 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000825692323 601714839 /nfs/dbraw/zinc/71/48/39/601714839.db2.gz QDEUVBVGIUXQMK-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM C[C@@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828394794 601716112 /nfs/dbraw/zinc/71/61/12/601716112.db2.gz SSRMAEFCJVGATM-BEFAXECRSA-N -1 0 333.387 2.879 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833068295 601725508 /nfs/dbraw/zinc/72/55/08/601725508.db2.gz UZDCYIHUWFKRFP-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CSc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000833072163 601734942 /nfs/dbraw/zinc/73/49/42/601734942.db2.gz KXOWCDZKVAXXRH-MRXNPFEDSA-N -1 0 343.360 2.725 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC000833069178 601755055 /nfs/dbraw/zinc/75/50/55/601755055.db2.gz OBXSGUHZXGKTFJ-KRWDZBQOSA-N -1 0 339.395 2.928 20 30 EFEDRM Cc1ccccc1N=C1NC(=O)/C(=C\c2c[nH]c(C(=O)[O-])c2)S1 ZINC000832978391 601789519 /nfs/dbraw/zinc/78/95/19/601789519.db2.gz CTNZHIVTODZMEY-NTUHNPAUSA-N -1 0 327.365 2.913 20 30 EFEDRM Cc1c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000832848654 601793009 /nfs/dbraw/zinc/79/30/09/601793009.db2.gz JXTPSCZFXVILAF-UQCOIBPSSA-N -1 0 340.314 2.637 20 30 EFEDRM N#CC1(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000833065346 601991325 /nfs/dbraw/zinc/99/13/25/601991325.db2.gz YVLIQXUPQSBSCY-UHFFFAOYSA-N -1 0 327.262 2.971 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000831836756 602051927 /nfs/dbraw/zinc/05/19/27/602051927.db2.gz MOEXVDUAFOIWNC-JKSUJKDBSA-N -1 0 332.400 2.820 20 30 EFEDRM CCCCCNC(=S)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794878649 602069566 /nfs/dbraw/zinc/06/95/66/602069566.db2.gz HSTSMAJAFDHWLM-GFCCVEGCSA-N -1 0 337.445 2.527 20 30 EFEDRM COc1ccc(CCNN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794910182 602075455 /nfs/dbraw/zinc/07/54/55/602075455.db2.gz XPEXZFQUYHPHGY-AWEZNQCLSA-N -1 0 342.395 2.713 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccn(C3CCCC3)n2)C(=O)[O-])cc1 ZINC000833073320 602103605 /nfs/dbraw/zinc/10/36/05/602103605.db2.gz ZBFOAGRDMNYMJC-INIZCTEOSA-N -1 0 339.351 2.853 20 30 EFEDRM CCc1nnc(Nc2ccc(CNC(=O)[O-])cc2)c(C#N)c1CC ZINC000830335891 602125687 /nfs/dbraw/zinc/12/56/87/602125687.db2.gz ZJJYOMFZHGJOEA-UHFFFAOYSA-N -1 0 325.372 2.984 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000826126793 602129970 /nfs/dbraw/zinc/12/99/70/602129970.db2.gz JTWHSQRGPCTABM-UHFFFAOYSA-N -1 0 326.312 2.967 20 30 EFEDRM Cc1cccc(C[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832970047 602130481 /nfs/dbraw/zinc/13/04/81/602130481.db2.gz SRTDDJYABNINML-CQSZACIVSA-N -1 0 340.339 2.525 20 30 EFEDRM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000827717452 602131095 /nfs/dbraw/zinc/13/10/95/602131095.db2.gz HWHKYGXDQIYSCE-FZKQIMNGSA-N -1 0 347.378 2.615 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000819090869 602134949 /nfs/dbraw/zinc/13/49/49/602134949.db2.gz JBUPPHFTGLQOBZ-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM CC(C)(C)c1nnc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000826528243 602145846 /nfs/dbraw/zinc/14/58/46/602145846.db2.gz QQFHOWDQEQTAQQ-ZDUSSCGKSA-N -1 0 330.413 2.623 20 30 EFEDRM CC(C)Oc1cncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827066094 602149139 /nfs/dbraw/zinc/14/91/39/602149139.db2.gz ITJFWNRHDGVRDH-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)[nH]1 ZINC000833312033 602150238 /nfs/dbraw/zinc/15/02/38/602150238.db2.gz IAXVKPNXYMATAE-ALCCZGGFSA-N -1 0 344.342 2.585 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000827241008 602182044 /nfs/dbraw/zinc/18/20/44/602182044.db2.gz QXNISIPCPVCZLJ-CBAPKCEASA-N -1 0 343.166 2.752 20 30 EFEDRM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000829430623 602182621 /nfs/dbraw/zinc/18/26/21/602182621.db2.gz IDEWSWYSDGCCST-DOMZBBRYSA-N -1 0 330.384 2.787 20 30 EFEDRM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000829430626 602182622 /nfs/dbraw/zinc/18/26/22/602182622.db2.gz IDEWSWYSDGCCST-WFASDCNBSA-N -1 0 330.384 2.787 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000827241362 602182638 /nfs/dbraw/zinc/18/26/38/602182638.db2.gz WGBUHSQLNWVTKZ-WRWORJQWSA-N -1 0 343.166 2.752 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000828764673 602182710 /nfs/dbraw/zinc/18/27/10/602182710.db2.gz LILONMBCNQGFMF-HUBLWGQQSA-N -1 0 330.384 2.958 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2ncnc3ccsc32)cc1)C(=O)[O-] ZINC000794919906 602184985 /nfs/dbraw/zinc/18/49/85/602184985.db2.gz ADBOPJPVXXYDCO-JTQLQIEISA-N -1 0 342.380 2.989 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2)nn(CN(CC)CC(=O)[O-])c1=S ZINC000825705657 602192110 /nfs/dbraw/zinc/19/21/10/602192110.db2.gz QDOJZPVTWXTOAN-UHFFFAOYSA-N -1 0 346.456 2.940 20 30 EFEDRM C=CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1cnccn1 ZINC000825711166 602241713 /nfs/dbraw/zinc/24/17/13/602241713.db2.gz RULKKKCTXMDSRZ-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)CCNC(=O)[O-])cc2)c1 ZINC000738434168 602246492 /nfs/dbraw/zinc/24/64/92/602246492.db2.gz VKJDQEAOMJKMRE-UHFFFAOYSA-N -1 0 339.351 2.733 20 30 EFEDRM N#Cc1c[nH]c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000833067817 602260078 /nfs/dbraw/zinc/26/00/78/602260078.db2.gz HFMFYLISBRTHTH-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)nc1 ZINC000833071539 602260135 /nfs/dbraw/zinc/26/01/35/602260135.db2.gz ISETZRYORWPUQX-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM COC(=O)c1c(N)sc(C(=O)[O-])c1CSc1cccc(C#N)c1 ZINC000831230898 602289706 /nfs/dbraw/zinc/28/97/06/602289706.db2.gz PTACSJHGZHSANJ-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@](C)(COC)CC(=O)[O-])c1 ZINC000825648028 602293771 /nfs/dbraw/zinc/29/37/71/602293771.db2.gz ZWKCLZXMWJZHMK-KRWDZBQOSA-N -1 0 336.388 2.643 20 30 EFEDRM Cc1cc(NCCOc2ccc(C#N)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896682 602320355 /nfs/dbraw/zinc/32/03/55/602320355.db2.gz DSVZKKJEQDGPFB-UHFFFAOYSA-N -1 0 341.323 2.964 20 30 EFEDRM Cc1nc2sccn2c1CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833006297 602324123 /nfs/dbraw/zinc/32/41/23/602324123.db2.gz AHDPFMNWTWXKLP-OAHLLOKOSA-N -1 0 340.408 2.834 20 30 EFEDRM C[C@@H](CC#N)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000827217681 602328027 /nfs/dbraw/zinc/32/80/27/602328027.db2.gz HLUFMAKTKPQVKA-QMMMGPOBSA-N -1 0 344.198 2.864 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000825647334 602364379 /nfs/dbraw/zinc/36/43/79/602364379.db2.gz KIWCCEWXOXFSFL-UHFFFAOYSA-N -1 0 336.388 2.886 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825681609 602374190 /nfs/dbraw/zinc/37/41/90/602374190.db2.gz DEMHJGMHIUCGNU-UHFFFAOYSA-N -1 0 338.367 2.815 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825631694 602386527 /nfs/dbraw/zinc/38/65/27/602386527.db2.gz JLQNFYACPOUNBF-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)OCCNC(=O)[O-])cc2)cc1 ZINC000739091713 602651600 /nfs/dbraw/zinc/65/16/00/602651600.db2.gz KWJXYWTXBNDNFB-UHFFFAOYSA-N -1 0 340.335 2.969 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000738430280 603125117 /nfs/dbraw/zinc/12/51/17/603125117.db2.gz HZLNKGFQGJORBX-UHFFFAOYSA-N -1 0 336.300 2.555 20 30 EFEDRM N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739146068 603233601 /nfs/dbraw/zinc/23/36/01/603233601.db2.gz ZLOIWGQZCBKQSX-NSHDSACASA-N -1 0 332.310 2.939 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000828613703 603566166 /nfs/dbraw/zinc/56/61/66/603566166.db2.gz XHIZLEZNPZTEGI-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM CN(CCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000828279458 603707854 /nfs/dbraw/zinc/70/78/54/603707854.db2.gz XQRWYTBZFMQVLL-JKSUJKDBSA-N -1 0 329.400 2.675 20 30 EFEDRM N#CCOc1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000739091120 604252124 /nfs/dbraw/zinc/25/21/24/604252124.db2.gz FZGMMVWOGNGNIY-UHFFFAOYSA-N -1 0 339.351 2.651 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000825691977 604432783 /nfs/dbraw/zinc/43/27/83/604432783.db2.gz FPVWQRGSCVNRDQ-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM C#C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CC1 ZINC000833360090 604476744 /nfs/dbraw/zinc/47/67/44/604476744.db2.gz BYDHMVHGPDMMEH-ZDUSSCGKSA-N -1 0 349.364 2.730 20 30 EFEDRM C#CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833361874 604490846 /nfs/dbraw/zinc/49/08/46/604490846.db2.gz QHGSIVQUDQGJHZ-UHFFFAOYSA-N -1 0 340.383 2.804 20 30 EFEDRM C#CCSCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825631711 604501191 /nfs/dbraw/zinc/50/11/91/604501191.db2.gz KBZDWQVFDXBDSY-AWEZNQCLSA-N -1 0 334.441 2.504 20 30 EFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833481799 604507071 /nfs/dbraw/zinc/50/70/71/604507071.db2.gz NRYCYMTVJKBOSM-QGZVFWFLSA-N -1 0 341.411 2.856 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000833368514 604508520 /nfs/dbraw/zinc/50/85/20/604508520.db2.gz PQQBMDZYFFMUHW-UHFFFAOYSA-N -1 0 347.392 2.871 20 30 EFEDRM CC(C)Oc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000833507123 604516466 /nfs/dbraw/zinc/51/64/66/604516466.db2.gz UYLBRYMXIJHWRH-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM CNC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1Cl ZINC000833700182 604538727 /nfs/dbraw/zinc/53/87/27/604538727.db2.gz GVAVSNUZJSGABB-UHFFFAOYSA-N -1 0 343.770 2.882 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000832080035 604544222 /nfs/dbraw/zinc/54/42/22/604544222.db2.gz HGVXNXFAPHJAFQ-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1cc([C@H](C)OC(=O)COc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872920 604544936 /nfs/dbraw/zinc/54/49/36/604544936.db2.gz XNWDOMUBBRYFEY-NSHDSACASA-N -1 0 329.308 2.841 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833541878 604580735 /nfs/dbraw/zinc/58/07/35/604580735.db2.gz WSHVIVYSYQLDIJ-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM COCCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCCC1 ZINC000833723979 604585172 /nfs/dbraw/zinc/58/51/72/604585172.db2.gz YARMIQTWNBQQSG-UHFFFAOYSA-N -1 0 331.368 2.897 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000833371597 604593443 /nfs/dbraw/zinc/59/34/43/604593443.db2.gz VXBAPUBKOQKNFU-QGZVFWFLSA-N -1 0 339.395 2.939 20 30 EFEDRM CCc1nc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC000833673993 604605798 /nfs/dbraw/zinc/60/57/98/604605798.db2.gz NJBWZJFJCFTPJQ-HNNXBMFYSA-N -1 0 340.383 2.929 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccnn2C2CCCC2)C(=O)[O-])cc1 ZINC000833071849 604606259 /nfs/dbraw/zinc/60/62/59/604606259.db2.gz JEFIQLHEVONXSM-INIZCTEOSA-N -1 0 339.351 2.853 20 30 EFEDRM CCc1nc(C2(NCc3cccc(C(=O)[O-])c3C#N)CCCC2)no1 ZINC000833672619 604610962 /nfs/dbraw/zinc/61/09/62/604610962.db2.gz DBCAVODKFAELMT-UHFFFAOYSA-N -1 0 340.383 2.761 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccccc1 ZINC000833362648 604638308 /nfs/dbraw/zinc/63/83/08/604638308.db2.gz BWNKMACUPBKIMS-INIZCTEOSA-N -1 0 343.404 2.736 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833376001 604680355 /nfs/dbraw/zinc/68/03/55/604680355.db2.gz KWHUOZWXZHSTAF-UHFFFAOYSA-N -1 0 335.356 2.905 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2cc(F)c(F)cc2F)C(=O)[O-])cc1 ZINC000833072471 604692458 /nfs/dbraw/zinc/69/24/58/604692458.db2.gz MWNLPPVTWCFXMT-MRXNPFEDSA-N -1 0 349.264 2.887 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2nc(CCC(=O)[O-])cs2)c(F)c1 ZINC000833069208 604739141 /nfs/dbraw/zinc/73/91/41/604739141.db2.gz XJPCLQLOGAKJRK-UHFFFAOYSA-N -1 0 337.307 2.562 20 30 EFEDRM C=CCNc1ncc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000825692137 604740949 /nfs/dbraw/zinc/74/09/49/604740949.db2.gz KCRVVKYUFADXOQ-UHFFFAOYSA-N -1 0 329.381 2.595 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000833366806 604748364 /nfs/dbraw/zinc/74/83/64/604748364.db2.gz IYJARXRFYVFGOQ-UHFFFAOYSA-N -1 0 337.375 2.646 20 30 EFEDRM C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)[O-] ZINC000817690108 604749806 /nfs/dbraw/zinc/74/98/06/604749806.db2.gz QHEIKVIOKMVXDI-LBPRGKRZSA-N -1 0 333.413 2.917 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000777362163 604760299 /nfs/dbraw/zinc/76/02/99/604760299.db2.gz ZUBPCRRPBJPTPU-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM COC(=O)c1cc(OCC#Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000831331347 604797741 /nfs/dbraw/zinc/79/77/41/604797741.db2.gz JVGYZFFYPDXOBZ-UHFFFAOYSA-N -1 0 328.295 2.741 20 30 EFEDRM N#Cc1cc(NCC(=O)NCc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000833069535 604799431 /nfs/dbraw/zinc/79/94/31/604799431.db2.gz DLDITYMZYLKRLW-UHFFFAOYSA-N -1 0 342.330 2.516 20 30 EFEDRM COC(=O)c1cc(NCC#Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000831315520 604813044 /nfs/dbraw/zinc/81/30/44/604813044.db2.gz DLEUVBLYYPYHMZ-UHFFFAOYSA-N -1 0 327.311 2.774 20 30 EFEDRM C=CCCOCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833374807 604818976 /nfs/dbraw/zinc/81/89/76/604818976.db2.gz GIEUBSDWAGJVKY-UHFFFAOYSA-N -1 0 329.146 2.645 20 30 EFEDRM C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409547 604846333 /nfs/dbraw/zinc/84/63/33/604846333.db2.gz OLAFSVUSRKYOTB-ZDUSSCGKSA-N -1 0 349.390 2.642 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000833071319 604852163 /nfs/dbraw/zinc/85/21/63/604852163.db2.gz FOPIJLUVBABIMO-UHFFFAOYSA-N -1 0 336.756 2.989 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000827333416 604866172 /nfs/dbraw/zinc/86/61/72/604866172.db2.gz MNGUNZKUVXSKFH-JTQLQIEISA-N -1 0 330.258 2.591 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181900089 604869159 /nfs/dbraw/zinc/86/91/59/604869159.db2.gz RCONNFSCHSSZCE-TVQRCGJNSA-N -1 0 329.755 2.702 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1cnccc1C(=O)[O-] ZINC000833068282 604875824 /nfs/dbraw/zinc/87/58/24/604875824.db2.gz UONGHLIYJNOQCJ-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833038815 604879756 /nfs/dbraw/zinc/87/97/56/604879756.db2.gz PQBLRDQAMKNCQS-GFCCVEGCSA-N -1 0 337.310 2.901 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224983 604882015 /nfs/dbraw/zinc/88/20/15/604882015.db2.gz MMIGLLLWHGLXMT-GUYCJALGSA-N -1 0 338.363 2.658 20 30 EFEDRM C=CCn1c(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)nnc1-c1ccco1 ZINC000833380543 604887200 /nfs/dbraw/zinc/88/72/00/604887200.db2.gz JMXZDNCOAVSJIQ-NSHDSACASA-N -1 0 347.396 2.964 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC000833373543 604895119 /nfs/dbraw/zinc/89/51/19/604895119.db2.gz RWKMVBXCPKDICO-IRXDYDNUSA-N -1 0 346.427 2.561 20 30 EFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C)cc1 ZINC000833376020 604912962 /nfs/dbraw/zinc/91/29/62/604912962.db2.gz LJGCCNRNVOOGJA-UHFFFAOYSA-N -1 0 338.410 2.531 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000827213289 604914984 /nfs/dbraw/zinc/91/49/84/604914984.db2.gz MSHSYWHUXPVWRJ-VIFPVBQESA-N -1 0 325.752 2.569 20 30 EFEDRM C[C@@]1(NC(=O)CSc2ccc(C#N)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833569638 604961463 /nfs/dbraw/zinc/96/14/63/604961463.db2.gz OIVCTKICIBGNTI-WMLDXEAASA-N -1 0 332.425 2.800 20 30 EFEDRM Cc1cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)oc1C(=O)[O-] ZINC000833745376 604974140 /nfs/dbraw/zinc/97/41/40/604974140.db2.gz FPVLXJLYEJQKNR-INIZCTEOSA-N -1 0 326.352 2.731 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000833375562 605001749 /nfs/dbraw/zinc/00/17/49/605001749.db2.gz FCCHPGSKHODGNY-LLVKDONJSA-N -1 0 337.445 2.704 20 30 EFEDRM C=C(C)COC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833369239 605007806 /nfs/dbraw/zinc/00/78/06/605007806.db2.gz LUPCMMJBZQFWHV-UHFFFAOYSA-N -1 0 325.342 2.895 20 30 EFEDRM C[C@H](CC#N)N(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315900378 605024377 /nfs/dbraw/zinc/02/43/77/605024377.db2.gz SSQCZQUEOMIIGV-SECBINFHSA-N -1 0 338.410 2.522 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833368038 605036990 /nfs/dbraw/zinc/03/69/90/605036990.db2.gz DOOYKTJUXSFBLA-CYBMUJFWSA-N -1 0 340.379 2.899 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000833405721 605039699 /nfs/dbraw/zinc/03/96/99/605039699.db2.gz HDLASCCNGKKSIP-SECBINFHSA-N -1 0 326.278 2.994 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000820507172 605051749 /nfs/dbraw/zinc/05/17/49/605051749.db2.gz VWBDJDPNRJHSST-UHFFFAOYSA-N -1 0 334.335 2.878 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833682617 605052777 /nfs/dbraw/zinc/05/27/77/605052777.db2.gz CIVDIAWKHJEQTL-CHWSQXEVSA-N -1 0 340.383 2.757 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833379080 605077477 /nfs/dbraw/zinc/07/74/77/605077477.db2.gz YPOVJRBXEKZUGV-UHFFFAOYSA-N -1 0 338.319 2.573 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833373523 605084289 /nfs/dbraw/zinc/08/42/89/605084289.db2.gz RKEDJESHDUGQEA-CYBMUJFWSA-N -1 0 347.415 2.596 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833373257 605084362 /nfs/dbraw/zinc/08/43/62/605084362.db2.gz JABHLSQUEOEGQH-CYBMUJFWSA-N -1 0 346.427 2.848 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000833377889 605094971 /nfs/dbraw/zinc/09/49/71/605094971.db2.gz QCANCHASVWWJOG-MRXNPFEDSA-N -1 0 327.336 2.513 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000833377888 605095227 /nfs/dbraw/zinc/09/52/27/605095227.db2.gz QCANCHASVWWJOG-INIZCTEOSA-N -1 0 327.336 2.513 20 30 EFEDRM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000747042955 605098190 /nfs/dbraw/zinc/09/81/90/605098190.db2.gz UXWLKKAYKLEGSL-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM CC(N=Nc1ccccc1C(=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000729815938 605099774 /nfs/dbraw/zinc/09/97/74/605099774.db2.gz BFLWDTIFOBMHSF-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000793001574 605100835 /nfs/dbraw/zinc/10/08/35/605100835.db2.gz JEDYNPXEXCGKCR-UHFFFAOYSA-N -1 0 325.368 2.667 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833413953 605105419 /nfs/dbraw/zinc/10/54/19/605105419.db2.gz XCXQENRYPLZSOI-UHFFFAOYSA-N -1 0 340.177 2.819 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000063097109 605130942 /nfs/dbraw/zinc/13/09/42/605130942.db2.gz ISFFOEUKEMLBMO-QMMMGPOBSA-N -1 0 340.177 2.913 20 30 EFEDRM COc1ccc(O)cc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1 ZINC000779710713 605145593 /nfs/dbraw/zinc/14/55/93/605145593.db2.gz CLBIRIJLGJJDQO-YWEYNIOJSA-N -1 0 328.320 2.760 20 30 EFEDRM C=CCNc1nnc(Sc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000833376188 605166886 /nfs/dbraw/zinc/16/68/86/605166886.db2.gz WMPZOZLOVDGRDM-UHFFFAOYSA-N -1 0 338.370 2.894 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000833369032 605166956 /nfs/dbraw/zinc/16/69/56/605166956.db2.gz ZYYCACODIMDFFK-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM C#CCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC000833366592 605195512 /nfs/dbraw/zinc/19/55/12/605195512.db2.gz FFABWWPWNDEOCW-KRWDZBQOSA-N -1 0 339.347 2.723 20 30 EFEDRM C#CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC000833367377 605195701 /nfs/dbraw/zinc/19/57/01/605195701.db2.gz WFJFTVHONCWJSQ-QGZVFWFLSA-N -1 0 339.347 2.723 20 30 EFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000833483970 605230702 /nfs/dbraw/zinc/23/07/02/605230702.db2.gz LVJPNIKXQZVBLM-HNNXBMFYSA-N -1 0 330.384 2.967 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(Br)cc2C#N)O1 ZINC000833577450 605236792 /nfs/dbraw/zinc/23/67/92/605236792.db2.gz HPFNDPQASAMFBF-NSHDSACASA-N -1 0 338.157 2.847 20 30 EFEDRM C=CCCOCCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833374895 605239640 /nfs/dbraw/zinc/23/96/40/605239640.db2.gz LTMWNMOBYUHNGC-QGZVFWFLSA-N -1 0 331.412 2.788 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)NCCSCc1ccccc1C#N ZINC000833453534 605253853 /nfs/dbraw/zinc/25/38/53/605253853.db2.gz ZJHYSNRTHMQYDM-UHFFFAOYSA-N -1 0 334.441 2.799 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000833636443 605261879 /nfs/dbraw/zinc/26/18/79/605261879.db2.gz RPPQCVSSWVWIRS-AWEZNQCLSA-N -1 0 332.400 2.875 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)nc1 ZINC000833367893 605303699 /nfs/dbraw/zinc/30/36/99/605303699.db2.gz AVDOIGWXYDPYQW-SFHVURJKSA-N -1 0 330.343 2.772 20 30 EFEDRM CC(N=Nc1ncnc2sccc21)c1ccccc1OCC(=O)[O-] ZINC000833387017 605326241 /nfs/dbraw/zinc/32/62/41/605326241.db2.gz KAIBEDBBODUKGD-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1ccccc1OCC(=O)[O-] ZINC000833387027 605329990 /nfs/dbraw/zinc/32/99/90/605329990.db2.gz LBWYYIPJDXSCMU-UHFFFAOYSA-N -1 0 335.363 2.956 20 30 EFEDRM CC(C)(C)OC(=O)CCNN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000833434056 605333648 /nfs/dbraw/zinc/33/36/48/605333648.db2.gz OFVXGQIUGDCLMO-UHFFFAOYSA-N -1 0 331.372 2.521 20 30 EFEDRM C=CCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380507 605336927 /nfs/dbraw/zinc/33/69/27/605336927.db2.gz IDXPFYCBYPSGNC-JTQLQIEISA-N -1 0 343.767 2.880 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 ZINC000833583086 605348553 /nfs/dbraw/zinc/34/85/53/605348553.db2.gz GFFPDDMNFXOSFG-KBAYOESNSA-N -1 0 326.396 2.906 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc2c(s1)SCC(=O)N2 ZINC000778543522 605417775 /nfs/dbraw/zinc/41/77/75/605417775.db2.gz AGRPYKJGMSHBLG-UHFFFAOYSA-N -1 0 348.409 2.722 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1CC)c1ccccc1 ZINC000833362781 605439336 /nfs/dbraw/zinc/43/93/36/605439336.db2.gz KRGRNISBDAVQKQ-ZDUSSCGKSA-N -1 0 347.392 2.583 20 30 EFEDRM C=CCOc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000833377607 605460292 /nfs/dbraw/zinc/46/02/92/605460292.db2.gz FDBFAAAUKNCSDW-UHFFFAOYSA-N -1 0 341.363 2.991 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833463392 605465636 /nfs/dbraw/zinc/46/56/36/605465636.db2.gz SCBUQVDICZGDQK-UHFFFAOYSA-N -1 0 344.411 2.867 20 30 EFEDRM COc1ccc(O)c(/C=N/Cc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833733956 605574357 /nfs/dbraw/zinc/57/43/57/605574357.db2.gz WUFRGBAQKIYJJV-DJKKODMXSA-N -1 0 326.352 2.991 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833433287 605575386 /nfs/dbraw/zinc/57/53/86/605575386.db2.gz UWRUWPFBJPYERG-QGZVFWFLSA-N -1 0 332.356 2.585 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833433668 605581006 /nfs/dbraw/zinc/58/10/06/605581006.db2.gz YCCWNDJVYZEQGQ-SFHVURJKSA-N -1 0 346.383 2.514 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833432906 605600670 /nfs/dbraw/zinc/60/06/70/605600670.db2.gz SBZXSVPYYVQCCM-KRWDZBQOSA-N -1 0 347.371 2.977 20 30 EFEDRM CC1(C#N)CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000833550619 605711292 /nfs/dbraw/zinc/71/12/92/605711292.db2.gz BPUOYVCZCZIWCR-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833541065 605810482 /nfs/dbraw/zinc/81/04/82/605810482.db2.gz QZILZHNBAKKLBI-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1cc(F)cc(F)c1[O-] ZINC000822922632 606859233 /nfs/dbraw/zinc/85/92/33/606859233.db2.gz IHVSTICEBYNCPL-UPHRSURJSA-N -1 0 334.307 2.808 20 30 EFEDRM Cc1ccncc1C(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000823961899 608217734 /nfs/dbraw/zinc/21/77/34/608217734.db2.gz BOGBUKXLXWUYQH-UHFFFAOYSA-N -1 0 340.391 2.593 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823958567 609157226 /nfs/dbraw/zinc/15/72/26/609157226.db2.gz QVORCMKLZWJMSM-UHFFFAOYSA-N -1 0 340.318 2.540 20 30 EFEDRM CCc1cccnc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825728353 609516917 /nfs/dbraw/zinc/51/69/17/609516917.db2.gz NJGJSIHZRMVMDE-UHFFFAOYSA-N -1 0 340.391 2.772 20 30 EFEDRM C=CCO[N-]C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000850465960 1250494976 /nfs/dbraw/zinc/49/49/76/1250494976.db2.gz KPDMEDLRXOMFEB-UHFFFAOYSA-N -1 0 349.387 2.514 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850718186 1250575613 /nfs/dbraw/zinc/57/56/13/1250575613.db2.gz FYVDVKCBKJPZJL-GFCCVEGCSA-N -1 0 347.440 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000850732726 1250584515 /nfs/dbraw/zinc/58/45/15/1250584515.db2.gz DDUMWRUMABFWIZ-ZSHCYNCHSA-N -1 0 332.425 2.580 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)CCCCC1 ZINC000850735896 1250585856 /nfs/dbraw/zinc/58/58/56/1250585856.db2.gz DPGXFPWGZUTROU-UHFFFAOYSA-N -1 0 338.404 2.636 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000850738680 1250586999 /nfs/dbraw/zinc/58/69/99/1250586999.db2.gz AFVSDEVKIPEUQE-GJZGRUSLSA-N -1 0 332.425 2.580 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnc2n1CCC2 ZINC000850740130 1250589115 /nfs/dbraw/zinc/58/91/15/1250589115.db2.gz SVWQJUVWUWPLGX-CYBMUJFWSA-N -1 0 332.363 2.824 20 30 EFEDRM COCCCOCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000850740642 1250589528 /nfs/dbraw/zinc/58/95/28/1250589528.db2.gz ZAIWXRSBRCZNKX-HNNXBMFYSA-N -1 0 342.395 2.811 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)o1 ZINC000850752039 1250593925 /nfs/dbraw/zinc/59/39/25/1250593925.db2.gz JOISCPVGVLWIKJ-CYBMUJFWSA-N -1 0 338.429 2.564 20 30 EFEDRM C[C@@H]1Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000850758175 1250596844 /nfs/dbraw/zinc/59/68/44/1250596844.db2.gz ZNBCFXKILBSEEM-WBMJQRKESA-N -1 0 326.396 2.781 20 30 EFEDRM CC(C)c1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000850932312 1250694125 /nfs/dbraw/zinc/69/41/25/1250694125.db2.gz LXQXBUNLYNCVBT-UHFFFAOYSA-N -1 0 334.441 2.954 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2[C@@H]3CCCCCC[C@@H]23)CCCC1 ZINC000850932904 1250694212 /nfs/dbraw/zinc/69/42/12/1250694212.db2.gz RZBQPCZWWKADGL-ZIAGYGMSSA-N -1 0 338.473 2.733 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)cc1 ZINC000850943234 1250702953 /nfs/dbraw/zinc/70/29/53/1250702953.db2.gz CHCZVXZXUZKUIY-UHFFFAOYSA-N -1 0 334.441 2.918 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC000850977697 1250724521 /nfs/dbraw/zinc/72/45/21/1250724521.db2.gz BWZVHTOBDGQAAA-HZPDHXFCSA-N -1 0 338.411 2.883 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)CCCCC1 ZINC000851057159 1250778196 /nfs/dbraw/zinc/77/81/96/1250778196.db2.gz DGOJFWPGFSVWBN-NRXISQOPSA-N -1 0 338.473 2.875 20 30 EFEDRM C=CCOCC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175977 1250842927 /nfs/dbraw/zinc/84/29/27/1250842927.db2.gz MAMBNISXVVXJAQ-CHWSQXEVSA-N -1 0 343.301 2.597 20 30 EFEDRM C=CCOCC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175979 1250843755 /nfs/dbraw/zinc/84/37/55/1250843755.db2.gz MAMBNISXVVXJAQ-QWHCGFSZSA-N -1 0 343.301 2.597 20 30 EFEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192486 1250850993 /nfs/dbraw/zinc/85/09/93/1250850993.db2.gz JUDYSAMCEHLMJR-LBPRGKRZSA-N -1 0 340.420 2.716 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)C ZINC000851192940 1250852366 /nfs/dbraw/zinc/85/23/66/1250852366.db2.gz XKJZHSUHMZPPQO-ZDUSSCGKSA-N -1 0 340.420 2.716 20 30 EFEDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191445 1250857981 /nfs/dbraw/zinc/85/79/81/1250857981.db2.gz DHOHRBIDIDJLRR-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191268 1250858302 /nfs/dbraw/zinc/85/83/02/1250858302.db2.gz VVNOBLZOFKXLRK-OAHLLOKOSA-N -1 0 344.383 2.562 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000851607622 1251130276 /nfs/dbraw/zinc/13/02/76/1251130276.db2.gz PMCNRHJGIPSUNC-NSHDSACASA-N -1 0 349.330 2.684 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000181037830 1252603022 /nfs/dbraw/zinc/60/30/22/1252603022.db2.gz RIUUKTUDSAQTPY-UHFFFAOYSA-N -1 0 335.338 2.975 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCCCC2 ZINC000181260900 1252761710 /nfs/dbraw/zinc/76/17/10/1252761710.db2.gz OUZCDLUWJXWZJI-UHFFFAOYSA-N -1 0 340.470 2.770 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000921550277 1257247554 /nfs/dbraw/zinc/24/75/54/1257247554.db2.gz UJRLLQRCWJXZSA-AWEZNQCLSA-N -1 0 328.347 2.529 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C2\COc3ccc(F)cc32)c1 ZINC000738617759 1262084045 /nfs/dbraw/zinc/08/40/45/1262084045.db2.gz VGSGJWMPRKIWJF-KPKJPENVSA-N -1 0 328.295 2.948 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccccc2-n2cncn2)cs1 ZINC000730150848 1264215860 /nfs/dbraw/zinc/21/58/60/1264215860.db2.gz XZKFVXKQPYIDOB-WAYWQWQTSA-N -1 0 325.349 2.923 20 30 EFEDRM O=c1[nH]ncc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1Cl ZINC000730570332 1264380033 /nfs/dbraw/zinc/38/00/33/1264380033.db2.gz IDQBJHWFIBMEAT-UHFFFAOYSA-N -1 0 344.114 2.549 20 30 EFEDRM COc1ccc(Br)c(S(=O)(=O)[N-]C(=O)C2CCC2)c1 ZINC000086067351 1264832467 /nfs/dbraw/zinc/83/24/67/1264832467.db2.gz HLDAHOMKAAKROK-UHFFFAOYSA-N -1 0 348.218 2.903 20 30 EFEDRM CO[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733204890 1265110962 /nfs/dbraw/zinc/11/09/62/1265110962.db2.gz CUCBPQMHHYZWEV-CUFXDFTGSA-N -1 0 326.658 2.950 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000733204923 1265110985 /nfs/dbraw/zinc/11/09/85/1265110985.db2.gz DXFPJBMEHXUALS-GQCTYLIASA-N -1 0 340.331 2.817 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1N=NCc1cccc(OCC(=O)[O-])c1 ZINC000733203756 1265111017 /nfs/dbraw/zinc/11/10/17/1265111017.db2.gz YXTRIIQTSBPICO-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2/COc3ccc(F)cc3C2=O)c1 ZINC000733206338 1265126669 /nfs/dbraw/zinc/12/66/69/1265126669.db2.gz HDZHSFGRIYFSSX-SDQBBNPISA-N -1 0 328.295 2.948 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1sc(C)cc1C#N)C1CCCC1 ZINC000824243294 1266856179 /nfs/dbraw/zinc/85/61/79/1266856179.db2.gz OIWJHPJYUMTHRP-CYBMUJFWSA-N -1 0 328.459 2.875 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCOC[C@@H]2CCCO2)c1[O-] ZINC000734303494 1266942087 /nfs/dbraw/zinc/94/20/87/1266942087.db2.gz RHDQNGFSUBCUGQ-LUMBYOQCSA-N -1 0 328.752 2.568 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000734712017 1267076486 /nfs/dbraw/zinc/07/64/86/1267076486.db2.gz QGEJGNLTENSIKR-VIFPVBQESA-N -1 0 328.821 2.699 20 30 EFEDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000735204645 1267229582 /nfs/dbraw/zinc/22/95/82/1267229582.db2.gz ZTRCJCNUJLLXDB-PLNGDYQASA-N -1 0 346.330 2.738 20 30 EFEDRM N#CCc1ccc(NC(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000735953147 1267465477 /nfs/dbraw/zinc/46/54/77/1267465477.db2.gz WFDNAKIEYWWDGX-UHFFFAOYSA-N -1 0 346.289 2.532 20 30 EFEDRM Clc1nc(N2CCCC2)sc1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000735972171 1267471303 /nfs/dbraw/zinc/47/13/03/1267471303.db2.gz OHXQNKUGBIIJEA-UHFFFAOYSA-N -1 0 348.823 2.509 20 30 EFEDRM CCOc1ncc(C(=O)[N-]S(=O)(=O)C(CC)CC)cc1Cl ZINC000073837814 1267533234 /nfs/dbraw/zinc/53/32/34/1267533234.db2.gz DZIVHFKCZDIRNW-UHFFFAOYSA-N -1 0 334.825 2.957 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000073838572 1267535301 /nfs/dbraw/zinc/53/53/01/1267535301.db2.gz OASUWKLEGYZGAA-QMMMGPOBSA-N -1 0 346.455 2.541 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000073838634 1267535868 /nfs/dbraw/zinc/53/58/68/1267535868.db2.gz XVNYONZATFYVBL-NXEZZACHSA-N -1 0 331.459 2.542 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)C=Cc1cc(C)c(C)cc1C ZINC000073838709 1267536598 /nfs/dbraw/zinc/53/65/98/1267536598.db2.gz KWHVKABSUXUJRH-PSKZRQQASA-N -1 0 325.430 2.946 20 30 EFEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)COC)cc1 ZINC000073839050 1267536665 /nfs/dbraw/zinc/53/66/65/1267536665.db2.gz NFQCKVOVVFALMX-ZDUSSCGKSA-N -1 0 327.446 2.893 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1Br ZINC000791782763 1278373642 /nfs/dbraw/zinc/37/36/42/1278373642.db2.gz JUSWNEMRIFPOSX-QMMMGPOBSA-N -1 0 345.156 2.814 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2C)c1C(C)C ZINC000791854041 1278380955 /nfs/dbraw/zinc/38/09/55/1278380955.db2.gz YPJCWPHFMBELES-UHFFFAOYSA-N -1 0 347.440 2.550 20 30 EFEDRM Cn1nnc2cc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)ccc21 ZINC000737416184 1268105653 /nfs/dbraw/zinc/10/56/53/1268105653.db2.gz MUMQSJMKUOPDHU-UHFFFAOYSA-N -1 0 329.747 2.766 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000741110900 1269309816 /nfs/dbraw/zinc/30/98/16/1269309816.db2.gz CATJFRYECKAYLE-AWEZNQCLSA-N -1 0 326.377 2.590 20 30 EFEDRM C#CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000700581554 1269310612 /nfs/dbraw/zinc/31/06/12/1269310612.db2.gz LRHKIVDABYVKRM-MRVPVSSYSA-N -1 0 332.581 2.551 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000741658256 1269638663 /nfs/dbraw/zinc/63/86/63/1269638663.db2.gz RHZHJAMKIWILBV-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1c1ccccc1 ZINC000741842433 1269728275 /nfs/dbraw/zinc/72/82/75/1269728275.db2.gz FSJQEBMYPNJWPR-DYJQDLSISA-N -1 0 339.351 2.913 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000792079610 1278532589 /nfs/dbraw/zinc/53/25/89/1278532589.db2.gz ZUQJAPJIHCVXCI-UHFFFAOYSA-N -1 0 325.405 2.664 20 30 EFEDRM C[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000743246272 1270486063 /nfs/dbraw/zinc/48/60/63/1270486063.db2.gz DQABCWXDDLKLOH-CQSZACIVSA-N -1 0 348.402 2.995 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000743251881 1270488043 /nfs/dbraw/zinc/48/80/43/1270488043.db2.gz XAASLAWKCVODAC-UHFFFAOYSA-N -1 0 348.767 2.557 20 30 EFEDRM C#CCOc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000743339504 1270523124 /nfs/dbraw/zinc/52/31/24/1270523124.db2.gz RZJHESOZVATMMX-UHFFFAOYSA-N -1 0 333.347 2.842 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000743412165 1270577726 /nfs/dbraw/zinc/57/77/26/1270577726.db2.gz AFIIRCOOVXHCPK-UHFFFAOYSA-N -1 0 347.374 2.520 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc2ccsc2c1 ZINC000744023271 1270835109 /nfs/dbraw/zinc/83/51/09/1270835109.db2.gz FYAYQTGTIAOPAG-ZDUSSCGKSA-N -1 0 345.424 2.550 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2ccc(C)o2)n1 ZINC000745663863 1271553655 /nfs/dbraw/zinc/55/36/55/1271553655.db2.gz GEKGQSUHSFATMN-RYUDHWBXSA-N -1 0 332.381 2.876 20 30 EFEDRM C#CCSCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000745998886 1271715662 /nfs/dbraw/zinc/71/56/62/1271715662.db2.gz SNYHRLFYJZLRQX-UHFFFAOYSA-N -1 0 348.649 2.904 20 30 EFEDRM COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000103158853 1272790862 /nfs/dbraw/zinc/79/08/62/1272790862.db2.gz FYBJHNWSHGPXBI-NSIKDUERSA-N -1 0 329.264 2.631 20 30 EFEDRM Cc1cc(C=N[S@](=O)C(C)(C)C)cc(NCc2cc(=O)[n-]o2)n1 ZINC001169484533 1272950702 /nfs/dbraw/zinc/95/07/02/1272950702.db2.gz SDIWBMYKTCELJM-NYRBYKDPSA-N -1 0 336.417 2.577 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001129070355 1273622408 /nfs/dbraw/zinc/62/24/08/1273622408.db2.gz SDOIPQATNAQVMM-UHFFFAOYSA-N -1 0 331.331 2.855 20 30 EFEDRM Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1N1CCOCC1 ZINC000867013973 1278884410 /nfs/dbraw/zinc/88/44/10/1278884410.db2.gz ZBPSUCPOMXPRSM-UHFFFAOYSA-N -1 0 337.379 2.661 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000792563060 1278902141 /nfs/dbraw/zinc/90/21/41/1278902141.db2.gz NLFYCAGLLHZHTQ-HUUCEWRRSA-N -1 0 348.509 2.757 20 30 EFEDRM N#C[C@H]1CC[C@H](NC(F)(F)c2cc(Cl)nnc2C(=O)[O-])CC1 ZINC001157055314 1275061518 /nfs/dbraw/zinc/06/15/18/1275061518.db2.gz RLKDJUAVNJTDCX-ZKCHVHJHSA-N -1 0 330.722 2.549 20 30 EFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)c1csc(Cl)c1 ZINC000786466438 1275416600 /nfs/dbraw/zinc/41/66/00/1275416600.db2.gz WBIAPHCTFQHWMB-UHFFFAOYSA-N -1 0 344.776 2.531 20 30 EFEDRM Cc1cncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786531024 1275420916 /nfs/dbraw/zinc/42/09/16/1275420916.db2.gz MPSAOCNJSUNPLF-OAHLLOKOSA-N -1 0 327.771 2.682 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)co1 ZINC000786537167 1275423742 /nfs/dbraw/zinc/42/37/42/1275423742.db2.gz RCRQRVYHVORUHP-GFCCVEGCSA-N -1 0 331.759 2.529 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000786539804 1275425103 /nfs/dbraw/zinc/42/51/03/1275425103.db2.gz IVTFNRXJSBRWKR-INIZCTEOSA-N -1 0 337.335 2.542 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)ncn3C)c1 ZINC000786541631 1275436772 /nfs/dbraw/zinc/43/67/72/1275436772.db2.gz QGPFKWQMIWGLLP-MRXNPFEDSA-N -1 0 346.390 2.521 20 30 EFEDRM CON=Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786541930 1275437371 /nfs/dbraw/zinc/43/73/71/1275437371.db2.gz MSSRKEHLALXCGH-SFHVURJKSA-N -1 0 349.390 2.614 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)c1 ZINC000786548080 1275438363 /nfs/dbraw/zinc/43/83/63/1275438363.db2.gz GUZDZPMULFAKOO-INIZCTEOSA-N -1 0 337.335 2.542 20 30 EFEDRM COc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786549073 1275439558 /nfs/dbraw/zinc/43/95/58/1275439558.db2.gz FKGLRUADQRYROV-AWEZNQCLSA-N -1 0 328.393 2.704 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)o1 ZINC000786555893 1275441194 /nfs/dbraw/zinc/44/11/94/1275441194.db2.gz XJAXSKOWPFFJMO-ZDUSSCGKSA-N -1 0 332.306 2.814 20 30 EFEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786554990 1275441222 /nfs/dbraw/zinc/44/12/22/1275441222.db2.gz QUSZROCFFOEELS-AWEZNQCLSA-N -1 0 345.349 2.986 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1F ZINC000786552590 1275441683 /nfs/dbraw/zinc/44/16/83/1275441683.db2.gz OPNFIOAICLLCKG-HNNXBMFYSA-N -1 0 340.354 2.782 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786559354 1275442344 /nfs/dbraw/zinc/44/23/44/1275442344.db2.gz UYFVATUGWJFKGG-LLVKDONJSA-N -1 0 349.362 2.623 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786563974 1275445154 /nfs/dbraw/zinc/44/51/54/1275445154.db2.gz LDKGHGPTKOJQCI-SNVBAGLBSA-N -1 0 349.362 2.623 20 30 EFEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568840 1275446225 /nfs/dbraw/zinc/44/62/25/1275446225.db2.gz ANJUAVCAFZBMMK-LLVKDONJSA-N -1 0 334.347 2.974 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786570090 1275446261 /nfs/dbraw/zinc/44/62/61/1275446261.db2.gz NUIZJTAGCHMPOW-AWEZNQCLSA-N -1 0 344.317 2.612 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cc(C#N)cs1 ZINC000786569182 1275446402 /nfs/dbraw/zinc/44/64/02/1275446402.db2.gz JXNJOKDAZIHBJJ-LLVKDONJSA-N -1 0 345.330 2.537 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnccc2C)n1 ZINC000786923679 1275580452 /nfs/dbraw/zinc/58/04/52/1275580452.db2.gz QJNQZVWHVUEFLM-NQHOJNORSA-N -1 0 341.392 2.588 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNC(=S)NC2CCCCC2)c1)C(=O)[O-] ZINC000746678941 1275767153 /nfs/dbraw/zinc/76/71/53/1275767153.db2.gz KCAGCLHNGVUHOL-GFCCVEGCSA-N -1 0 349.456 2.669 20 30 EFEDRM O=C([O-])CCOc1cccc(CN=Nc2nncc3ccccc32)c1 ZINC000746680204 1275776022 /nfs/dbraw/zinc/77/60/22/1275776022.db2.gz ZRILBJPJPXVPMK-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(C=NOC[C@@H]2CCOC2)cc1 ZINC000788030160 1276010952 /nfs/dbraw/zinc/01/09/52/1276010952.db2.gz KMCDEJSSKGRTBU-CQSZACIVSA-N -1 0 345.351 2.944 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000788139753 1276053509 /nfs/dbraw/zinc/05/35/09/1276053509.db2.gz OJGZIDWMQJYPAV-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM CCCCCCCCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000788166285 1276080406 /nfs/dbraw/zinc/08/04/06/1276080406.db2.gz JWFSANCWFKEYIH-UHFFFAOYSA-N -1 0 342.461 2.989 20 30 EFEDRM C#CCC1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCCC1 ZINC000788441666 1276165441 /nfs/dbraw/zinc/16/54/41/1276165441.db2.gz AWGIEXJUNNVACK-UHFFFAOYSA-N -1 0 325.368 2.942 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NCCC1CCOCC1)[n-]c2=O ZINC000788715680 1276274683 /nfs/dbraw/zinc/27/46/83/1276274683.db2.gz NKTXCNVPAHLDOG-UHFFFAOYSA-N -1 0 332.408 2.501 20 30 EFEDRM O=c1[n-]c(N=NCC2CCC3(CC2)OCCO3)nc2ccccc21 ZINC000788718143 1276275376 /nfs/dbraw/zinc/27/53/76/1276275376.db2.gz KAEIVZHYHCATSC-UHFFFAOYSA-N -1 0 328.372 2.666 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)c(C)c1 ZINC000817714850 1276290285 /nfs/dbraw/zinc/29/02/85/1276290285.db2.gz XRUPJCVOTQVENB-MRXNPFEDSA-N -1 0 338.411 2.810 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000818276151 1276514985 /nfs/dbraw/zinc/51/49/85/1276514985.db2.gz AANLDPRXVRRIQQ-UHFFFAOYSA-N -1 0 328.463 2.573 20 30 EFEDRM O=C([N-][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(F)(F)C(F)F ZINC000923044605 1276641790 /nfs/dbraw/zinc/64/17/90/1276641790.db2.gz NNEXEHZBBVDBEY-RKDXNWHRSA-N -1 0 347.230 2.538 20 30 EFEDRM N#CC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000923080473 1276746184 /nfs/dbraw/zinc/74/61/84/1276746184.db2.gz LURPNOMGXOEFHB-LJQANCHMSA-N -1 0 326.396 2.715 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000789491676 1276750529 /nfs/dbraw/zinc/75/05/29/1276750529.db2.gz MUCYUOAYFWFKSE-INIZCTEOSA-N -1 0 341.798 2.936 20 30 EFEDRM C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000923084031 1276753065 /nfs/dbraw/zinc/75/30/65/1276753065.db2.gz VQNFNZQHVHZBIA-ZBFHGGJFSA-N -1 0 328.412 2.909 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC12CCCC2 ZINC000923078509 1276761668 /nfs/dbraw/zinc/76/16/68/1276761668.db2.gz DKZUMILWOZWIPW-RDTXWAMCSA-N -1 0 330.359 2.584 20 30 EFEDRM Cc1nc(C2CCN(C(=O)C3(C#N)CC(C)C3)CC2)sc1C(=O)[O-] ZINC000923100817 1276795092 /nfs/dbraw/zinc/79/50/92/1276795092.db2.gz ATNDCIYTXBLCJW-UHFFFAOYSA-N -1 0 347.440 2.796 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C1(C)C ZINC000819813686 1276914688 /nfs/dbraw/zinc/91/46/88/1276914688.db2.gz QSNXXEVDKVJBQB-GFCCVEGCSA-N -1 0 348.403 2.871 20 30 EFEDRM COc1nc(Br)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000789878680 1277046895 /nfs/dbraw/zinc/04/68/95/1277046895.db2.gz RFQSOYDOLGBHHQ-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM C=CCCC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000585086061 1277057374 /nfs/dbraw/zinc/05/73/74/1277057374.db2.gz ICWNTUUZWXOMRV-BDAKNGLRSA-N -1 0 346.271 2.553 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000820307687 1277100820 /nfs/dbraw/zinc/10/08/20/1277100820.db2.gz JXGYYSYZSLLKRM-UHFFFAOYSA-N -1 0 343.832 2.950 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OCCC)cc1 ZINC000820606661 1277265596 /nfs/dbraw/zinc/26/55/96/1277265596.db2.gz UDKQVQPJKLBWNV-UHFFFAOYSA-N -1 0 325.430 2.883 20 30 EFEDRM Cc1nn(C)c(C=NNc2ccc(C(=O)[O-])cc2)c1Br ZINC000790281904 1277392150 /nfs/dbraw/zinc/39/21/50/1277392150.db2.gz MPZURXOUKNPOLM-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1cc(C(=O)[O-])ccc1O ZINC000790309170 1277444138 /nfs/dbraw/zinc/44/41/38/1277444138.db2.gz XCNFWJBROZGCQC-UHFFFAOYSA-N -1 0 333.275 2.974 20 30 EFEDRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862121 1277840280 /nfs/dbraw/zinc/84/02/80/1277840280.db2.gz LEZSAVMECVKEGY-VIFPVBQESA-N -1 0 348.346 2.818 20 30 EFEDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790864222 1277842290 /nfs/dbraw/zinc/84/22/90/1277842290.db2.gz MPORQPXTUQAQDU-PLNGDYQASA-N -1 0 346.330 2.738 20 30 EFEDRM CCCNC(=S)NN=C(C)c1ccc(O)c(Br)c1 ZINC000844569157 1279094309 /nfs/dbraw/zinc/09/43/09/1279094309.db2.gz LEKQFFWUPFRZBW-UHFFFAOYSA-N -1 0 330.251 2.753 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC[C@@]1(C)CCCS1)[n-]c2=O ZINC000793012271 1279326992 /nfs/dbraw/zinc/32/69/92/1279326992.db2.gz HSUAGKXIOLBNCY-OAHLLOKOSA-N -1 0 334.449 2.970 20 30 EFEDRM CC[C@H](NN=C1CCc2cc(Br)ccc2C1)C(=O)[O-] ZINC000793055778 1279345456 /nfs/dbraw/zinc/34/54/56/1279345456.db2.gz CBNPVFLSGRFBAH-ZDUSSCGKSA-N -1 0 325.206 2.747 20 30 EFEDRM CC[C@H](NN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000793078002 1279359686 /nfs/dbraw/zinc/35/96/86/1279359686.db2.gz KSTJWKFUWGVVFN-RYUDHWBXSA-N -1 0 327.425 2.653 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000793079312 1279360281 /nfs/dbraw/zinc/36/02/81/1279360281.db2.gz QQSMPIOPCKAXBV-HNNXBMFYSA-N -1 0 334.807 2.929 20 30 EFEDRM O=C1Nc2c(ccc(Cl)c2Cl)C1=N[N-]c1ncncc1F ZINC000793218155 1279447532 /nfs/dbraw/zinc/44/75/32/1279447532.db2.gz PMUVBEHTZXWNOT-UHFFFAOYSA-N -1 0 326.118 2.691 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000793360169 1279567566 /nfs/dbraw/zinc/56/75/66/1279567566.db2.gz ZMRJHARFSYCGDT-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000793372501 1279584343 /nfs/dbraw/zinc/58/43/43/1279584343.db2.gz CJNRCCTYBGVMLM-CYBMUJFWSA-N -1 0 341.329 2.621 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2 ZINC000845443424 1279635483 /nfs/dbraw/zinc/63/54/83/1279635483.db2.gz DATMYHDIKLNCSU-UONOGXRCSA-N -1 0 330.432 2.799 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC000845491093 1279677794 /nfs/dbraw/zinc/67/77/94/1279677794.db2.gz DJFUAISUGXQLDH-RZBMREITSA-N -1 0 325.412 2.774 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC000845491094 1279678081 /nfs/dbraw/zinc/67/80/81/1279678081.db2.gz DJFUAISUGXQLDH-UFYAKOEJSA-N -1 0 325.412 2.774 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)C1(c2ccccc2Cl)CCC1 ZINC000845500801 1279685719 /nfs/dbraw/zinc/68/57/19/1279685719.db2.gz BSJDCHNNZYZECV-UHFFFAOYSA-N -1 0 340.832 2.511 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000845518956 1279698438 /nfs/dbraw/zinc/69/84/38/1279698438.db2.gz ILBUQTWOVHWLKN-LLVKDONJSA-N -1 0 340.832 2.583 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000871956156 1287374933 /nfs/dbraw/zinc/37/49/33/1287374933.db2.gz ZTQNZFNGOKTMRK-VIFPVBQESA-N -1 0 347.820 2.680 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845889302 1279914623 /nfs/dbraw/zinc/91/46/23/1279914623.db2.gz RJDVXAGVPBDJLD-UHFFFAOYSA-N -1 0 328.821 2.760 20 30 EFEDRM C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1 ZINC000871983250 1287385003 /nfs/dbraw/zinc/38/50/03/1287385003.db2.gz YOCDTZXXPNEFPV-NSHDSACASA-N -1 0 344.392 2.603 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000794001696 1279988005 /nfs/dbraw/zinc/98/80/05/1279988005.db2.gz BUIWWTHOJVTUGX-UHFFFAOYSA-N -1 0 339.347 2.796 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000846147232 1280036504 /nfs/dbraw/zinc/03/65/04/1280036504.db2.gz SUGQROJGWSQOSP-UHFFFAOYSA-N -1 0 330.306 2.744 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000846150061 1280037145 /nfs/dbraw/zinc/03/71/45/1280037145.db2.gz XBTXRMRBTBEWAS-UHFFFAOYSA-N -1 0 331.416 2.629 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000846152909 1280038958 /nfs/dbraw/zinc/03/89/58/1280038958.db2.gz CNWRWPGGHORPES-SECBINFHSA-N -1 0 346.305 2.665 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000846154780 1280039470 /nfs/dbraw/zinc/03/94/70/1280039470.db2.gz SZPASYHHFYTMAR-ZDUSSCGKSA-N -1 0 342.399 2.557 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000846154708 1280039560 /nfs/dbraw/zinc/03/95/60/1280039560.db2.gz REFHPYLPIPUIRR-SNVBAGLBSA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000846154095 1280039870 /nfs/dbraw/zinc/03/98/70/1280039870.db2.gz NPDDOPQWRWUJSI-NSHDSACASA-N -1 0 336.363 2.708 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000846156155 1280040397 /nfs/dbraw/zinc/04/03/97/1280040397.db2.gz YVTMNCOUQXZUMH-SNVBAGLBSA-N -1 0 330.306 2.742 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000846157308 1280040683 /nfs/dbraw/zinc/04/06/83/1280040683.db2.gz UGDZYDGNODNUGH-CYBMUJFWSA-N -1 0 342.399 2.557 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(COc2ccc(OC)cc2)n1 ZINC000846263175 1280090066 /nfs/dbraw/zinc/09/00/66/1280090066.db2.gz DPAMJMACVULBOE-UHFFFAOYSA-N -1 0 348.424 2.803 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000846263680 1280090813 /nfs/dbraw/zinc/09/08/13/1280090813.db2.gz RTVWQENKZMMEGO-UHFFFAOYSA-N -1 0 348.424 2.900 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000846265107 1280091098 /nfs/dbraw/zinc/09/10/98/1280091098.db2.gz ZCEDMIQSLFDJSA-UHFFFAOYSA-N -1 0 348.424 2.900 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccnc2C#N)cc1 ZINC000872010293 1287397336 /nfs/dbraw/zinc/39/73/36/1287397336.db2.gz MCHBKAUSNHWURE-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CCc1ccc(C#CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000815296454 1287403475 /nfs/dbraw/zinc/40/34/75/1287403475.db2.gz ONKQNLOMYOYYQI-UHFFFAOYSA-N -1 0 333.347 2.583 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846547372 1280240353 /nfs/dbraw/zinc/24/03/53/1280240353.db2.gz KZEDMUXPDWHYLQ-GDBMZVCRSA-N -1 0 334.416 2.950 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000846548061 1280241882 /nfs/dbraw/zinc/24/18/82/1280241882.db2.gz CXZWSCADEQJHBP-PSLIRLAXSA-N -1 0 338.816 2.891 20 30 EFEDRM C=C(C)CO[N-]C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000846534472 1280249212 /nfs/dbraw/zinc/24/92/12/1280249212.db2.gz QUFTUKYNVICHRF-UHFFFAOYSA-N -1 0 330.384 2.877 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846535132 1280251036 /nfs/dbraw/zinc/25/10/36/1280251036.db2.gz QNEQCMPBWOGVOE-NSHDSACASA-N -1 0 334.363 2.503 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846536088 1280251899 /nfs/dbraw/zinc/25/18/99/1280251899.db2.gz SBJNBWOAQAIOGH-MRXNPFEDSA-N -1 0 334.416 2.951 20 30 EFEDRM C=CCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000805220327 1280491643 /nfs/dbraw/zinc/49/16/43/1280491643.db2.gz MDIIFWSNJIWNRV-UHFFFAOYSA-N -1 0 330.388 2.611 20 30 EFEDRM COc1cc(C#N)ccc1OCCOC(=O)c1c(F)cc([O-])cc1F ZINC000805455665 1280573218 /nfs/dbraw/zinc/57/32/18/1280573218.db2.gz FRRVKKFJKVHFCV-UHFFFAOYSA-N -1 0 349.289 2.786 20 30 EFEDRM CC(C)(C)CCCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000805584935 1280642076 /nfs/dbraw/zinc/64/20/76/1280642076.db2.gz JPQYXLYWGQUFMQ-UHFFFAOYSA-N -1 0 330.388 2.956 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1 ZINC000805851659 1280811905 /nfs/dbraw/zinc/81/19/05/1280811905.db2.gz NADAIRBDLIGXHY-GFCCVEGCSA-N -1 0 329.356 2.552 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12 ZINC000805854151 1280814004 /nfs/dbraw/zinc/81/40/04/1280814004.db2.gz RDVATKSXOJZZST-AWEZNQCLSA-N -1 0 328.368 2.641 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000805844433 1280846261 /nfs/dbraw/zinc/84/62/61/1280846261.db2.gz HCQKEVBSKLJYSG-UHFFFAOYSA-N -1 0 334.441 2.844 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc(C)c1F ZINC000805926587 1280899121 /nfs/dbraw/zinc/89/91/21/1280899121.db2.gz SSTZSMXYNGLDPJ-UHFFFAOYSA-N -1 0 326.393 2.722 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000805927751 1280901760 /nfs/dbraw/zinc/90/17/60/1280901760.db2.gz IBKTUBUFZZKVNM-UHFFFAOYSA-N -1 0 331.397 2.514 20 30 EFEDRM C[C@@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)cn1)C1CCCCC1 ZINC000806554746 1281094810 /nfs/dbraw/zinc/09/48/10/1281094810.db2.gz DFJGNVHWUNOLMB-SFHVURJKSA-N -1 0 329.400 2.631 20 30 EFEDRM COC(=O)c1cc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)c[nH]1 ZINC000806560681 1281095758 /nfs/dbraw/zinc/09/57/58/1281095758.db2.gz NSSNVYMBECHZBN-RQWJFSOLSA-N -1 0 325.320 2.640 20 30 EFEDRM CNC(=O)c1ccc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806563456 1281095767 /nfs/dbraw/zinc/09/57/67/1281095767.db2.gz XICDFNQKTGJOCT-OOXMNIKJSA-N -1 0 335.359 2.884 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1 ZINC000806576170 1281101385 /nfs/dbraw/zinc/10/13/85/1281101385.db2.gz WJGFJGBDHZBXEJ-XQRVVYSFSA-N -1 0 336.307 2.777 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1F ZINC000123992024 1287473570 /nfs/dbraw/zinc/47/35/70/1287473570.db2.gz UZHXIKZEOUSJFW-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM N#Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c([O-])cc1F ZINC001175541583 1287474870 /nfs/dbraw/zinc/47/48/70/1287474870.db2.gz GJELCMNENXBMDF-UHFFFAOYSA-N -1 0 341.342 2.619 20 30 EFEDRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2C)cc([N+](=O)[O-])c1[O-] ZINC000807990446 1281485446 /nfs/dbraw/zinc/48/54/46/1281485446.db2.gz CBUXLZNLVHXAAQ-UHFFFAOYSA-N -1 0 346.299 2.972 20 30 EFEDRM CCCC1N=NC(=S)N1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808008219 1281493865 /nfs/dbraw/zinc/49/38/65/1281493865.db2.gz RVGQJEMQNVVWPW-UHFFFAOYSA-N -1 0 341.780 2.669 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808113926 1281540559 /nfs/dbraw/zinc/54/05/59/1281540559.db2.gz MNTLIQKPBBCHRN-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000103635097 1281545894 /nfs/dbraw/zinc/54/58/94/1281545894.db2.gz CYCDKRVTRBQPNU-HNNXBMFYSA-N -1 0 342.420 2.947 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(C3CC3)n2)n1 ZINC000747504263 1281742380 /nfs/dbraw/zinc/74/23/80/1281742380.db2.gz BSLIDXYTCBWIKP-JTQLQIEISA-N -1 0 347.421 2.819 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(F)F)CCCC2)n1 ZINC000808648088 1281819538 /nfs/dbraw/zinc/81/95/38/1281819538.db2.gz RSXADMBPYHHALI-JTQLQIEISA-N -1 0 342.367 2.997 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000808979333 1281979948 /nfs/dbraw/zinc/97/99/48/1281979948.db2.gz IBTZPDVRDIKPQV-AWEZNQCLSA-N -1 0 328.416 2.545 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C ZINC000809034392 1282013575 /nfs/dbraw/zinc/01/35/75/1282013575.db2.gz CEAAGCPNZBTVQH-UHFFFAOYSA-N -1 0 329.466 2.674 20 30 EFEDRM C=CCOC(=O)c1sc2[n-]c(-c3coc(C)n3)nc(=O)c2c1C ZINC000809149127 1282064869 /nfs/dbraw/zinc/06/48/69/1282064869.db2.gz KQXLPWVFXCTXIF-UHFFFAOYSA-N -1 0 331.353 2.599 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccccc2-n2ccnn2)ccc1O ZINC000809156692 1282068869 /nfs/dbraw/zinc/06/88/69/1282068869.db2.gz JGMVECULEHEDJO-ALCCZGGFSA-N -1 0 335.319 2.567 20 30 EFEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NN[C@H]2CCCOC2)cs1 ZINC000872365986 1287552918 /nfs/dbraw/zinc/55/29/18/1287552918.db2.gz MHEKWIKHAIKKMB-JTQLQIEISA-N -1 0 326.422 2.593 20 30 EFEDRM [O-]c1c(Br)cc(C=NN2CCC2)cc1Br ZINC000872394062 1287561667 /nfs/dbraw/zinc/56/16/67/1287561667.db2.gz AGVIOUFLNVDPGD-UHFFFAOYSA-N -1 0 334.011 2.957 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cc(Br)ncn1 ZINC000872436362 1287582101 /nfs/dbraw/zinc/58/21/01/1287582101.db2.gz APENBXAWBZBNMZ-JGVFFNPUSA-N -1 0 327.182 2.528 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000810467658 1283240057 /nfs/dbraw/zinc/24/00/57/1283240057.db2.gz XGZYPIMDBHPJNW-CYBMUJFWSA-N -1 0 325.343 2.868 20 30 EFEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc21 ZINC000810535736 1283288434 /nfs/dbraw/zinc/28/84/34/1283288434.db2.gz HKIUZNSMOHHYST-CQSZACIVSA-N -1 0 326.396 2.738 20 30 EFEDRM COc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OCCC(C)C ZINC000747611368 1283405638 /nfs/dbraw/zinc/40/56/38/1283405638.db2.gz TTZOBXUKZFOATR-UHFFFAOYSA-N -1 0 345.403 2.765 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1)c1ccccc1 ZINC000810709433 1283546060 /nfs/dbraw/zinc/54/60/60/1283546060.db2.gz APUTYSYLCBGLES-HZPDHXFCSA-N -1 0 332.363 2.543 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000810781176 1283586754 /nfs/dbraw/zinc/58/67/54/1283586754.db2.gz IJYYXLHORKBBPF-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC000810785216 1283587595 /nfs/dbraw/zinc/58/75/95/1283587595.db2.gz BKTHRNGNVBBGJU-UHFFFAOYSA-N -1 0 335.469 2.677 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000810784282 1283587719 /nfs/dbraw/zinc/58/77/19/1283587719.db2.gz ZBZVENDNEAPEHA-UHFFFAOYSA-N -1 0 333.453 2.820 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000810785090 1283588109 /nfs/dbraw/zinc/58/81/09/1283588109.db2.gz WSSPHSUMQLTAKO-CHWSQXEVSA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000810785500 1283588147 /nfs/dbraw/zinc/58/81/47/1283588147.db2.gz JQJHYNPOIBSBKA-HOTGVXAUSA-N -1 0 343.489 2.611 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810966567 1283866382 /nfs/dbraw/zinc/86/63/82/1283866382.db2.gz JLTGAHJBNOWQBZ-UHFFFAOYSA-N -1 0 327.368 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cccc(C)c23)CC1 ZINC000810981283 1283869205 /nfs/dbraw/zinc/86/92/05/1283869205.db2.gz PASCYGHPUMTFNQ-UHFFFAOYSA-N -1 0 332.425 2.574 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)c(C3CC3)c2)CC1 ZINC000810979842 1283882891 /nfs/dbraw/zinc/88/28/91/1283882891.db2.gz KHFNAFBTPHBBQI-UHFFFAOYSA-N -1 0 335.425 2.741 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000810980486 1283884780 /nfs/dbraw/zinc/88/47/80/1283884780.db2.gz AELBOYPQYRXOHQ-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000810981496 1283885527 /nfs/dbraw/zinc/88/55/27/1283885527.db2.gz CXMQUXJNMJXEQZ-UHFFFAOYSA-N -1 0 334.372 2.542 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000810981391 1283888281 /nfs/dbraw/zinc/88/82/81/1283888281.db2.gz BKQAGTPRUWLNRE-GFCCVEGCSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC000810983834 1283907107 /nfs/dbraw/zinc/90/71/07/1283907107.db2.gz ILSGYSOKQMMEOG-UHFFFAOYSA-N -1 0 331.796 2.956 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC000810982813 1283907480 /nfs/dbraw/zinc/90/74/80/1283907480.db2.gz YKAGCSGKAQDKDY-UHFFFAOYSA-N -1 0 335.425 2.644 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000810982482 1283907533 /nfs/dbraw/zinc/90/75/33/1283907533.db2.gz RPNSFDCBMXEKQT-QWRGUYRKSA-N -1 0 339.379 2.910 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(/C)c2cccc(OC)c2)CC1 ZINC000810983242 1283907617 /nfs/dbraw/zinc/90/76/17/1283907617.db2.gz NJBJOMZGLHOZSV-QBFSEMIESA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CSc2ccccc2)CC1 ZINC000810982073 1283908096 /nfs/dbraw/zinc/90/80/96/1283908096.db2.gz LCDWTXQCDNHRQV-CYBMUJFWSA-N -1 0 339.482 2.970 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCCC[C@H]2CC)CC1 ZINC000810984686 1283909581 /nfs/dbraw/zinc/90/95/81/1283909581.db2.gz JUKJKRJVIGPZHC-ZIAGYGMSSA-N -1 0 329.462 2.527 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000810984503 1283911086 /nfs/dbraw/zinc/91/10/86/1283911086.db2.gz CXGIOJOOCJEESC-UHFFFAOYSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2ccccc2C(C)C)CC1 ZINC000810985077 1283913418 /nfs/dbraw/zinc/91/34/18/1283913418.db2.gz WVMTZTCKPFVMJF-UHFFFAOYSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCC(=O)c2cc(C)ccc2C)CC1 ZINC000810985510 1283913708 /nfs/dbraw/zinc/91/37/08/1283913708.db2.gz NZNGRBKRXMFXHP-UHFFFAOYSA-N -1 0 349.452 2.821 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c(C)oc3ccccc32)CC1 ZINC000810984045 1283913723 /nfs/dbraw/zinc/91/37/23/1283913723.db2.gz PPJFMUUPNWHNLR-UHFFFAOYSA-N -1 0 333.409 2.838 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2Br)CC1 ZINC000810985311 1283913755 /nfs/dbraw/zinc/91/37/55/1283913755.db2.gz HQWANVVPHPIYNA-UHFFFAOYSA-N -1 0 344.230 2.617 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSCc2ccc(F)cc2)CC1 ZINC000810988950 1283915464 /nfs/dbraw/zinc/91/54/64/1283915464.db2.gz UCGARTXSPAYBJN-UHFFFAOYSA-N -1 0 343.445 2.614 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC000810987874 1283915034 /nfs/dbraw/zinc/91/50/34/1283915034.db2.gz CPXQMUGKUPQSMB-UHFFFAOYSA-N -1 0 328.459 2.609 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)O[C@@H]2CCC[C@H](C)C2)CC1 ZINC000810987906 1283915490 /nfs/dbraw/zinc/91/54/90/1283915490.db2.gz DPNJDXNNVCPKEK-ZNMIVQPWSA-N -1 0 343.489 2.915 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc3C2)CC1 ZINC000810988237 1283916986 /nfs/dbraw/zinc/91/69/86/1283916986.db2.gz DRPXQRLZZNFOPC-AWEZNQCLSA-N -1 0 333.453 2.736 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)Oc2ccc(F)cc2)CC1 ZINC000810988475 1283917116 /nfs/dbraw/zinc/91/71/16/1283917116.db2.gz QMRWPKPLJHGWDL-UHFFFAOYSA-N -1 0 341.404 2.538 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2c[nH]c3ccc(C(C)(C)C)cc23)c1=O ZINC000811631850 1284448053 /nfs/dbraw/zinc/44/80/53/1284448053.db2.gz PQGQXORJTZPRQI-UHFFFAOYSA-N -1 0 341.440 2.896 20 30 EFEDRM CN(C)c1nc(=NN=C2CCCCc3cc(C(=O)[O-])ccc32)cc[nH]1 ZINC000811643360 1284475351 /nfs/dbraw/zinc/47/53/51/1284475351.db2.gz CKHKBVXLZVSDFP-UHFFFAOYSA-N -1 0 339.399 2.783 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12 ZINC000811667410 1284495997 /nfs/dbraw/zinc/49/59/97/1284495997.db2.gz UWGYUWRSVIHVHD-LBPRGKRZSA-N -1 0 338.367 2.652 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000811667444 1284496471 /nfs/dbraw/zinc/49/64/71/1284496471.db2.gz VNZKXTAIKHTPFB-CQSZACIVSA-N -1 0 328.368 2.541 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2C(F)(F)F)C(=O)O1 ZINC000811685236 1284513118 /nfs/dbraw/zinc/51/31/18/1284513118.db2.gz MNQUAZJTESUNGV-JDGPPOGSSA-N -1 0 330.283 2.995 20 30 EFEDRM CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1O ZINC000811705830 1284518379 /nfs/dbraw/zinc/51/83/79/1284518379.db2.gz XRSSGLURYKMOMU-UHFFFAOYSA-N -1 0 346.408 2.990 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1O ZINC000811698203 1284545708 /nfs/dbraw/zinc/54/57/08/1284545708.db2.gz JEVUUMLVTZZPAY-HYXAFXHYSA-N -1 0 345.307 2.919 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000811831041 1284661807 /nfs/dbraw/zinc/66/18/07/1284661807.db2.gz QNDDQMJPDFCWAU-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000811831038 1284662390 /nfs/dbraw/zinc/66/23/90/1284662390.db2.gz QFOOEPKEOAASLJ-UHFFFAOYSA-N -1 0 337.788 2.554 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811835586 1284666083 /nfs/dbraw/zinc/66/60/83/1284666083.db2.gz CDJXRWLMGYJZTE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(F)c1 ZINC000811856919 1284696962 /nfs/dbraw/zinc/69/69/62/1284696962.db2.gz TYDYBDSBEFIABG-NSHDSACASA-N -1 0 329.297 2.592 20 30 EFEDRM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1sccc1[O-] ZINC000812231051 1284958978 /nfs/dbraw/zinc/95/89/78/1284958978.db2.gz IMBXDQGSIYJBOE-UHFFFAOYSA-N -1 0 339.442 2.540 20 30 EFEDRM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cocn1 ZINC000105756500 1285136082 /nfs/dbraw/zinc/13/60/82/1285136082.db2.gz ZLACSTOQNFFEPZ-SNVBAGLBSA-N -1 0 337.307 2.950 20 30 EFEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1C ZINC000812454940 1285152083 /nfs/dbraw/zinc/15/20/83/1285152083.db2.gz CRBQWLGUCFBKRX-UHFFFAOYSA-N -1 0 325.393 2.884 20 30 EFEDRM O=C([O-])c1cc(NN=Cc2cnn(CC(F)F)c2)ccc1Cl ZINC000814212730 1286404828 /nfs/dbraw/zinc/40/48/28/1286404828.db2.gz WNXWBSMQMOZJQK-UHFFFAOYSA-N -1 0 328.706 2.946 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000814231877 1286428382 /nfs/dbraw/zinc/42/83/82/1286428382.db2.gz GVMUTRQDACWMND-UHFFFAOYSA-N -1 0 333.351 2.575 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000814232636 1286429474 /nfs/dbraw/zinc/42/94/74/1286429474.db2.gz GIKHWNXDHZLVRN-UHFFFAOYSA-N -1 0 332.266 2.642 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814685196 1286897378 /nfs/dbraw/zinc/89/73/78/1286897378.db2.gz MPEPYWSIZPLBKA-IUCAKERBSA-N -1 0 336.304 2.792 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000814687143 1286934194 /nfs/dbraw/zinc/93/41/94/1286934194.db2.gz AFBMOOMOVCYJRF-UHFFFAOYSA-N -1 0 343.295 2.858 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC[C@H]1C(=O)[O-] ZINC000814729870 1286952421 /nfs/dbraw/zinc/95/24/21/1286952421.db2.gz FCRRNRGIWCQQLB-OXHZDVMGSA-N -1 0 325.478 2.906 20 30 EFEDRM CC(C)NS(=O)(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001174288417 1286958097 /nfs/dbraw/zinc/95/80/97/1286958097.db2.gz WARPQXPNYWKTGZ-UHFFFAOYSA-N -1 0 349.387 2.833 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000814716030 1286960413 /nfs/dbraw/zinc/96/04/13/1286960413.db2.gz VTCAEDNLKVTNQO-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000814716031 1286961322 /nfs/dbraw/zinc/96/13/22/1286961322.db2.gz VTCAEDNLKVTNQO-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1csc(C(=O)[O-])c1 ZINC000814715779 1286961347 /nfs/dbraw/zinc/96/13/47/1286961347.db2.gz KRWIUKBKKQDJJY-UHFFFAOYSA-N -1 0 325.459 2.967 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000814717178 1286962358 /nfs/dbraw/zinc/96/23/58/1286962358.db2.gz BBZSUCYDRUYKKH-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM O=C([O-])c1cccc(C=NN2C(=O)NC3(CCCCC3)C2=O)c1Cl ZINC000814744512 1286986700 /nfs/dbraw/zinc/98/67/00/1286986700.db2.gz WKMUXIGRWLTKED-UHFFFAOYSA-N -1 0 349.774 2.627 20 30 EFEDRM CC(=NNc1ccccc1C(=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000814768447 1287012969 /nfs/dbraw/zinc/01/29/69/1287012969.db2.gz BWOXNVZXVZUGCF-UHFFFAOYSA-N -1 0 343.295 2.858 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000814770508 1287013601 /nfs/dbraw/zinc/01/36/01/1287013601.db2.gz HSGFVFWJTXNYQB-DGCLKSJQSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@H]1CC(=NNC(=S)NCCc2cccs2)CC[C@H]1C(=O)[O-] ZINC000814791829 1287022745 /nfs/dbraw/zinc/02/27/45/1287022745.db2.gz AUMJSBJWONUCQZ-GXFFZTMASA-N -1 0 339.486 2.632 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174508014 1287046355 /nfs/dbraw/zinc/04/63/55/1287046355.db2.gz VBJHUASZMUITSR-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM CCCNN=C(C)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814804496 1287066985 /nfs/dbraw/zinc/06/69/85/1287066985.db2.gz RGUQBOYXGRYQTD-UHFFFAOYSA-N -1 0 329.194 2.636 20 30 EFEDRM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814805836 1287075421 /nfs/dbraw/zinc/07/54/21/1287075421.db2.gz JKLRBKVIBPQUJZ-LLVKDONJSA-N -1 0 344.327 2.678 20 30 EFEDRM O=C([O-])c1cccc(C=NNC(=S)NCC2CCC2)c1Cl ZINC000814833225 1287081704 /nfs/dbraw/zinc/08/17/04/1287081704.db2.gz DRHPDTCSGUQGQF-UHFFFAOYSA-N -1 0 325.821 2.636 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000814838753 1287086430 /nfs/dbraw/zinc/08/64/30/1287086430.db2.gz AGFBSEPAIQPIBL-RYUDHWBXSA-N -1 0 348.472 2.916 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@H]1CC(=O)[O-] ZINC000814838316 1287086621 /nfs/dbraw/zinc/08/66/21/1287086621.db2.gz JESKFEVOJNMBCM-RYUDHWBXSA-N -1 0 348.472 2.916 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814838315 1287086746 /nfs/dbraw/zinc/08/67/46/1287086746.db2.gz JESKFEVOJNMBCM-NWDGAFQWSA-N -1 0 348.472 2.916 20 30 EFEDRM COc1cc(C(C)=NNCC(F)F)ccc1OCCCC(=O)[O-] ZINC000814854611 1287101129 /nfs/dbraw/zinc/10/11/29/1287101129.db2.gz PEMVRKJDAUNQLK-UHFFFAOYSA-N -1 0 330.331 2.518 20 30 EFEDRM CC(=NN=C(C)c1cnccn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814860929 1287103950 /nfs/dbraw/zinc/10/39/50/1287103950.db2.gz HTQRPZPHSZTRFT-UHFFFAOYSA-N -1 0 340.383 2.953 20 30 EFEDRM CC(=NNC(=S)N[C@H](C)C1CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814865826 1287107055 /nfs/dbraw/zinc/10/70/55/1287107055.db2.gz AENYKKUXJGLEDY-WQAKAFBOSA-N -1 0 325.478 2.762 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)nc1 ZINC000814888766 1287129458 /nfs/dbraw/zinc/12/94/58/1287129458.db2.gz OPECTHRYSPNKLN-ZYHUDNBSSA-N -1 0 333.388 2.793 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ccncc1 ZINC000814899627 1287138419 /nfs/dbraw/zinc/13/84/19/1287138419.db2.gz FSWVHIUTSPBENU-AWEZNQCLSA-N -1 0 327.384 2.776 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNCC(F)(F)F ZINC000814904686 1287144564 /nfs/dbraw/zinc/14/45/64/1287144564.db2.gz UUPFINKQPDHYKB-NSHDSACASA-N -1 0 332.322 2.999 20 30 EFEDRM COc1ccc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)nc1 ZINC000814907854 1287145773 /nfs/dbraw/zinc/14/57/73/1287145773.db2.gz BMIIKRCUIFYCMZ-UHFFFAOYSA-N -1 0 343.383 2.974 20 30 EFEDRM CC(=NN[C@H]1CCCOC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814907860 1287146191 /nfs/dbraw/zinc/14/61/91/1287146191.db2.gz BQXBHMQEULYNCQ-ZDUSSCGKSA-N -1 0 330.384 2.861 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@H]1CCCOC1 ZINC000814909465 1287148244 /nfs/dbraw/zinc/14/82/44/1287148244.db2.gz YLLQPBJJPCFVCV-ZBFHGGJFSA-N -1 0 334.416 2.616 20 30 EFEDRM O=C([O-])c1cccc(C=NNC(=S)Nc2ccccn2)c1Cl ZINC000814882573 1287151280 /nfs/dbraw/zinc/15/12/80/1287151280.db2.gz LIKFZRSPXISQTG-UHFFFAOYSA-N -1 0 334.788 2.754 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(=NNC(=S)Nc2ccccn2)C1 ZINC000814882371 1287151333 /nfs/dbraw/zinc/15/13/33/1287151333.db2.gz HMTKGIMTCYQYSK-UHFFFAOYSA-N -1 0 340.408 2.540 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@H]1CCSC1 ZINC000814933116 1287165374 /nfs/dbraw/zinc/16/53/74/1287165374.db2.gz DZCUYCHMTHSAMF-HIFRSBDPSA-N -1 0 336.457 2.942 20 30 EFEDRM CC(=NNC[C@@H]1CCSC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814935868 1287165549 /nfs/dbraw/zinc/16/55/49/1287165549.db2.gz SBNGSLGFTVNPIA-AWEZNQCLSA-N -1 0 336.457 2.997 20 30 EFEDRM CC[C@H](NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)[O-] ZINC000814936690 1287166236 /nfs/dbraw/zinc/16/62/36/1287166236.db2.gz GEGXJODYCSOIPO-JTQLQIEISA-N -1 0 341.198 2.966 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NOC[C@@H]1CCOC1 ZINC000814912334 1287172889 /nfs/dbraw/zinc/17/28/89/1287172889.db2.gz PUPXZIYBLKSNCU-GDBMZVCRSA-N -1 0 335.400 2.900 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1nccn1C ZINC000814918307 1287176246 /nfs/dbraw/zinc/17/62/46/1287176246.db2.gz KUCAZEIQZYMETD-UHFFFAOYSA-N -1 0 330.388 2.694 20 30 EFEDRM COc1cccc(COc2cccc(Cl)c2C=NNCC(=O)[O-])c1 ZINC000814958213 1287187015 /nfs/dbraw/zinc/18/70/15/1287187015.db2.gz FGQOPTABRAKNBP-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM CC(C)(C)c1nn(-c2ccccc2Cl)cc1C=NNCC(=O)[O-] ZINC000814958174 1287187047 /nfs/dbraw/zinc/18/70/47/1287187047.db2.gz CQEXOVJFSJJSIE-UHFFFAOYSA-N -1 0 334.807 2.831 20 30 EFEDRM CC(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)=NNCC(=O)[O-] ZINC000814960597 1287188726 /nfs/dbraw/zinc/18/87/26/1287188726.db2.gz UMLUTYYQQDANLU-CYBMUJFWSA-N -1 0 327.425 2.606 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815793380 1287839731 /nfs/dbraw/zinc/83/97/31/1287839731.db2.gz VGVOGTSIIUXWQX-GFCCVEGCSA-N -1 0 347.440 2.867 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815905163 1287875127 /nfs/dbraw/zinc/87/51/27/1287875127.db2.gz BMTOGXJDTSKDTL-MRXNPFEDSA-N -1 0 326.396 2.834 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)c(CC)s1 ZINC000815908901 1287879806 /nfs/dbraw/zinc/87/98/06/1287879806.db2.gz MFNWCNNYPYIGKM-QMMMGPOBSA-N -1 0 341.230 2.698 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C)c1ccccc1 ZINC000816039548 1287950204 /nfs/dbraw/zinc/95/02/04/1287950204.db2.gz ZARPPVKQKKANNH-DLBZAZTESA-N -1 0 346.390 2.852 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816113191 1287999746 /nfs/dbraw/zinc/99/97/46/1287999746.db2.gz MQCNYWIWWNMSPH-QGZVFWFLSA-N -1 0 339.457 2.813 20 30 EFEDRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000816334268 1288057460 /nfs/dbraw/zinc/05/74/60/1288057460.db2.gz RWLQWBJAUKXVFP-UHFFFAOYSA-N -1 0 342.420 2.629 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c([O-])cc1F ZINC001176967519 1288198385 /nfs/dbraw/zinc/19/83/85/1288198385.db2.gz ORNWSJHYWUKLQY-LBPRGKRZSA-N -1 0 340.358 2.653 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OC[C@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000816977095 1288357043 /nfs/dbraw/zinc/35/70/43/1288357043.db2.gz QQDKIKNVJHYLCT-RDTXWAMCSA-N -1 0 338.448 2.873 20 30 EFEDRM N#Cc1c(F)ccc(NC(=O)CSc2n[n-]c(=S)s2)c1F ZINC001177343938 1288401120 /nfs/dbraw/zinc/40/11/20/1288401120.db2.gz JKDCGCSIKFPCLG-UHFFFAOYSA-N -1 0 344.393 2.707 20 30 EFEDRM CCCc1[nH]ccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000817269271 1288517287 /nfs/dbraw/zinc/51/72/87/1288517287.db2.gz UMIOYBDKGXLBDD-GFCCVEGCSA-N -1 0 331.397 2.765 20 30 EFEDRM CCCc1[nH]ccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000817269273 1288517298 /nfs/dbraw/zinc/51/72/98/1288517298.db2.gz UMIOYBDKGXLBDD-LBPRGKRZSA-N -1 0 331.397 2.765 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OCCC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000817392797 1288581121 /nfs/dbraw/zinc/58/11/21/1288581121.db2.gz ASAGDBVGUGMFDA-SFHVURJKSA-N -1 0 336.432 2.627 20 30 EFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000796983269 1288617590 /nfs/dbraw/zinc/61/75/90/1288617590.db2.gz OIFVNBHRWWLGQI-UHFFFAOYSA-N -1 0 343.832 2.950 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794724017 1303025764 /nfs/dbraw/zinc/02/57/64/1303025764.db2.gz BPRCIDWVTDRLRX-QHHAFSJGSA-N -1 0 340.291 2.527 20 30 EFEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794724201 1303026212 /nfs/dbraw/zinc/02/62/12/1303026212.db2.gz CUGGFGYPYGDUDC-DAFODLJHSA-N -1 0 331.274 2.897 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000863189727 1302550567 /nfs/dbraw/zinc/55/05/67/1302550567.db2.gz UPORQHUUQBVLKE-ALCCZGGFSA-N -1 0 346.358 2.880 20 30 EFEDRM C=C(C)C(C)(C)C(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000821452234 1288722579 /nfs/dbraw/zinc/72/25/79/1288722579.db2.gz RQFBPCJQXSMULT-UHFFFAOYSA-N -1 0 349.349 2.692 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821549895 1288740748 /nfs/dbraw/zinc/74/07/48/1288740748.db2.gz NUASYKCLLCTCBF-UHFFFAOYSA-N -1 0 327.833 2.522 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(F)c1 ZINC000821993211 1288858347 /nfs/dbraw/zinc/85/83/47/1288858347.db2.gz RQQMMLJZYLHFFC-UHFFFAOYSA-N -1 0 330.356 2.552 20 30 EFEDRM COC(=O)c1ccc(C(=[NH2+])Nc2ccc3oc(=S)[n-]c3c2)cc1 ZINC001170984684 1288940700 /nfs/dbraw/zinc/94/07/00/1288940700.db2.gz XAXNVGRWJUHNNO-UHFFFAOYSA-N -1 0 327.365 2.940 20 30 EFEDRM O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-c2cccc(F)c2)s1 ZINC000823160649 1289231728 /nfs/dbraw/zinc/23/17/28/1289231728.db2.gz JCGIKQCYKIRPCK-LBPRGKRZSA-N -1 0 334.372 2.664 20 30 EFEDRM COc1ccc(/C=C/C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1O ZINC001179672502 1289231828 /nfs/dbraw/zinc/23/18/28/1289231828.db2.gz UCKMERSVSAYDAS-HWKANZROSA-N -1 0 328.299 2.769 20 30 EFEDRM O=C([N-]C1(C(F)(F)F)CCOCC1)C(F)(F)C(F)(F)Cl ZINC001179779931 1289254616 /nfs/dbraw/zinc/25/46/16/1289254616.db2.gz LVCDHASZLSWDQA-UHFFFAOYSA-N -1 0 331.615 2.681 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001179896195 1289294339 /nfs/dbraw/zinc/29/43/39/1289294339.db2.gz XWLQWASVUOGFBM-LBPRGKRZSA-N -1 0 336.347 2.643 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC(=O)NO[C@@H](C)C=C)c1ccc(C)cc1 ZINC000824033165 1289516458 /nfs/dbraw/zinc/51/64/58/1289516458.db2.gz DPHJFBOPSMHNID-ZMSDIMECSA-N -1 0 346.427 2.713 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)c1OC ZINC000805854458 1289537003 /nfs/dbraw/zinc/53/70/03/1289537003.db2.gz WATISLRSXGVYSW-OAHLLOKOSA-N -1 0 344.411 2.784 20 30 EFEDRM CC[C@H](CC#N)NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181017718 1289677098 /nfs/dbraw/zinc/67/70/98/1289677098.db2.gz LGHTYLLAAGPPFT-CHWSQXEVSA-N -1 0 341.333 2.605 20 30 EFEDRM CCCCCCC[C@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001181132877 1289717222 /nfs/dbraw/zinc/71/72/22/1289717222.db2.gz LDWSLMLGEOLREP-NSHDSACASA-N -1 0 338.495 2.655 20 30 EFEDRM COc1ccc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c(F)c1OC ZINC001181293283 1289763489 /nfs/dbraw/zinc/76/34/89/1289763489.db2.gz ZVGVQMQCJNKZLD-UHFFFAOYSA-N -1 0 348.305 2.740 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582858 1289943171 /nfs/dbraw/zinc/94/31/71/1289943171.db2.gz YFQLXOOXWQXWSC-UHFFFAOYSA-N -1 0 334.224 2.743 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCC(=O)N2c2ccccc2)c([O-])cc1F ZINC001181933224 1290002073 /nfs/dbraw/zinc/00/20/73/1290002073.db2.gz CTFDQJPRTDQHQS-OAHLLOKOSA-N -1 0 339.326 2.537 20 30 EFEDRM C[C@@H]1CN(Cc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001232673198 1312758019 /nfs/dbraw/zinc/75/80/19/1312758019.db2.gz CCASKWGSCZFHAN-CYBMUJFWSA-N -1 0 331.416 2.705 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCN(c3cccc(Cl)c3)C(=O)C2)c1 ZINC001232678432 1312759868 /nfs/dbraw/zinc/75/98/68/1312759868.db2.gz YZLOFNUWFAJIEZ-UHFFFAOYSA-N -1 0 341.798 2.766 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000091697765 1290334058 /nfs/dbraw/zinc/33/40/58/1290334058.db2.gz UAEJBWXQBHPHQL-UHFFFAOYSA-N -1 0 338.360 2.621 20 30 EFEDRM N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001183616052 1290378992 /nfs/dbraw/zinc/37/89/92/1290378992.db2.gz KTYFBKZLPBXLRT-CQSZACIVSA-N -1 0 348.362 2.604 20 30 EFEDRM C=CCN(CC(=O)OCC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091773350 1290429162 /nfs/dbraw/zinc/42/91/62/1290429162.db2.gz JEXGJGWOJBCSQY-UHFFFAOYSA-N -1 0 328.752 2.505 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cccnc2Cl)cc1F ZINC001184879811 1290545048 /nfs/dbraw/zinc/54/50/48/1290545048.db2.gz DFQUAQRBGGREHO-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185005294 1290560254 /nfs/dbraw/zinc/56/02/54/1290560254.db2.gz CFXKBVUCLWOBCH-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185049184 1290574991 /nfs/dbraw/zinc/57/49/91/1290574991.db2.gz AQLJDNMHQSNNHU-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM COc1cc(C#N)cc(NS(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185137333 1290592121 /nfs/dbraw/zinc/59/21/21/1290592121.db2.gz BQZAHYHBVWPBKM-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM C[C@@]12CCN(C(=O)c3cc(O)cc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000803553274 1312795141 /nfs/dbraw/zinc/79/51/41/1312795141.db2.gz SAVGJKDGKRCBPH-GXTWGEPZSA-N -1 0 325.195 2.920 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185351658 1290648055 /nfs/dbraw/zinc/64/80/55/1290648055.db2.gz DOCLNVJPIZFQOH-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C ZINC000092316055 1290675950 /nfs/dbraw/zinc/67/59/50/1290675950.db2.gz QRWMHTDZZGYCLX-NSHDSACASA-N -1 0 329.466 2.788 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000092467552 1290760263 /nfs/dbraw/zinc/76/02/63/1290760263.db2.gz POIICQGBCWIIBR-JTQLQIEISA-N -1 0 341.205 2.792 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001185796521 1290765338 /nfs/dbraw/zinc/76/53/38/1290765338.db2.gz KICLTWDLJSSQMT-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000092693477 1290822063 /nfs/dbraw/zinc/82/20/63/1290822063.db2.gz WUGQIRMZRSDMEY-UHFFFAOYSA-N -1 0 347.440 2.705 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cnn1C(C)C ZINC000092718021 1290893429 /nfs/dbraw/zinc/89/34/29/1290893429.db2.gz BWQYNFNVIKSJIH-UHFFFAOYSA-N -1 0 341.355 2.749 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)cnn1C(C)C ZINC000092717463 1290894632 /nfs/dbraw/zinc/89/46/32/1290894632.db2.gz MAGVCPOSPGPONJ-UHFFFAOYSA-N -1 0 342.808 2.514 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186261916 1290915264 /nfs/dbraw/zinc/91/52/64/1290915264.db2.gz ZTAONHSVFGFUAO-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cnc(N2CCCC2)nc1 ZINC000876498152 1290931863 /nfs/dbraw/zinc/93/18/63/1290931863.db2.gz QHLVMLCTCZGXMZ-FNORWQNLSA-N -1 0 337.379 2.980 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1C(=O)/C=C\c1cnc(N2CCCC2)nc1 ZINC000876498151 1290932003 /nfs/dbraw/zinc/93/20/03/1290932003.db2.gz QHLVMLCTCZGXMZ-ALCCZGGFSA-N -1 0 337.379 2.980 20 30 EFEDRM CCn1nncc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498127 1290932190 /nfs/dbraw/zinc/93/21/90/1290932190.db2.gz PFTJCOXORBPVAT-SREVYHEPSA-N -1 0 329.356 2.680 20 30 EFEDRM Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2cn(C)nc2C#N)c1 ZINC001186829891 1291026294 /nfs/dbraw/zinc/02/62/94/1291026294.db2.gz QDCWGJOCVXNGSO-UHFFFAOYSA-N -1 0 335.367 2.657 20 30 EFEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186863836 1291040835 /nfs/dbraw/zinc/04/08/35/1291040835.db2.gz WUGHPEKHNHCSBA-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000093242319 1291082944 /nfs/dbraw/zinc/08/29/44/1291082944.db2.gz RKONZWQARAMFOJ-UHFFFAOYSA-N -1 0 340.788 2.827 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C#N ZINC001187376107 1291153475 /nfs/dbraw/zinc/15/34/75/1291153475.db2.gz LLYAGVORCBSORW-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccc(F)cc1)c1c[nH]cn1 ZINC001187761834 1291232176 /nfs/dbraw/zinc/23/21/76/1291232176.db2.gz DUEDCUNYVBVNJJ-UHFFFAOYSA-N -1 0 341.367 2.749 20 30 EFEDRM C[C@](C#N)([N-]S(=O)(=O)c1nccs1)c1ccccc1Cl ZINC001187913531 1291257825 /nfs/dbraw/zinc/25/78/25/1291257825.db2.gz ZEQOIJVUBHCZBV-GFCCVEGCSA-N -1 0 327.818 2.514 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1nccs1 ZINC001187891165 1291265153 /nfs/dbraw/zinc/26/51/53/1291265153.db2.gz IWBNKAREDSXEMT-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nc(Cl)ccc1C(N)=O ZINC001187993147 1291280850 /nfs/dbraw/zinc/28/08/50/1291280850.db2.gz KSKWBXOHQMIOEA-UHFFFAOYSA-N -1 0 347.868 2.936 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1snnc1C(=O)OCC ZINC001187994622 1291281432 /nfs/dbraw/zinc/28/14/32/1291281432.db2.gz PFMOJOIVFSVBSV-UHFFFAOYSA-N -1 0 349.478 2.817 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21 ZINC001187994845 1291281476 /nfs/dbraw/zinc/28/14/76/1291281476.db2.gz SFXMOXCVUYEOME-UHFFFAOYSA-N -1 0 335.433 2.703 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)C(F)(F)F ZINC001188027690 1291300340 /nfs/dbraw/zinc/30/03/40/1291300340.db2.gz UIENCXMBFQCXEF-LBPRGKRZSA-N -1 0 347.399 2.760 20 30 EFEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188139442 1291315976 /nfs/dbraw/zinc/31/59/76/1291315976.db2.gz SORDANNOHWRRQU-UHFFFAOYSA-N -1 0 333.182 2.754 20 30 EFEDRM NC(=NC(=O)c1ncc(C(F)(F)F)[n-]1)c1ccc2cc(O)ccc2c1 ZINC001188295303 1291354105 /nfs/dbraw/zinc/35/41/05/1291354105.db2.gz KKXDUQXGDOJMJH-UHFFFAOYSA-N -1 0 348.284 2.833 20 30 EFEDRM NC(=NC(=O)c1ncc(C(F)(F)F)[n-]1)c1ccc2ccccc2n1 ZINC001188295801 1291354629 /nfs/dbraw/zinc/35/46/29/1291354629.db2.gz OYJGWRYKUGOHGX-UHFFFAOYSA-N -1 0 333.273 2.522 20 30 EFEDRM C=C[C@@H]1C[C@@]1(NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(=O)OCC ZINC001188587766 1291428472 /nfs/dbraw/zinc/42/84/72/1291428472.db2.gz AQBFGXSVKRFWQG-BMIGLBTASA-N -1 0 343.301 2.649 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)co2)C1=O ZINC000877964705 1291431236 /nfs/dbraw/zinc/43/12/36/1291431236.db2.gz RSFBKHZUTSCVIJ-QGZVFWFLSA-N -1 0 335.404 2.904 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1C#N ZINC001189317321 1291670378 /nfs/dbraw/zinc/67/03/78/1291670378.db2.gz FCQMFLONOKUZBR-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189356584 1291702512 /nfs/dbraw/zinc/70/25/12/1291702512.db2.gz QRFXCUCGHLRYFL-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000775246368 1291720800 /nfs/dbraw/zinc/72/08/00/1291720800.db2.gz SWBGZCQBCGGKJE-CABCVRRESA-N -1 0 333.494 2.998 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2cccc(F)c2F)SCC1=O ZINC001189426380 1291721911 /nfs/dbraw/zinc/72/19/11/1291721911.db2.gz SFKSTQLLWGMNFK-UHFFFAOYSA-N -1 0 330.337 2.545 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC001189499390 1291737786 /nfs/dbraw/zinc/73/77/86/1291737786.db2.gz RQSVPSYLASUXPE-UHFFFAOYSA-N -1 0 331.275 2.507 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c1 ZINC001189608844 1291781371 /nfs/dbraw/zinc/78/13/71/1291781371.db2.gz DZTCEUZVBHDEDM-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2O)c1 ZINC001189609408 1291782019 /nfs/dbraw/zinc/78/20/19/1291782019.db2.gz LXZSONCXVBEJGM-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189686515 1291801182 /nfs/dbraw/zinc/80/11/82/1291801182.db2.gz GJXQMQONTOUDDS-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM C[C@H](C#N)c1ccc(NC(=O)c2ccccc2S(=O)(=O)[O-])cc1 ZINC001189694320 1291816271 /nfs/dbraw/zinc/81/62/71/1291816271.db2.gz NCRWOYNZHUTNMI-LLVKDONJSA-N -1 0 330.365 2.813 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ncc(F)cc2F)c(C#N)c1C ZINC001190141624 1292002907 /nfs/dbraw/zinc/00/29/07/1292002907.db2.gz QXRAROKGJHDHJA-UHFFFAOYSA-N -1 0 329.353 2.711 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182230 1292048722 /nfs/dbraw/zinc/04/87/22/1292048722.db2.gz XFWVIQSOIZLMRA-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1 ZINC000127653516 1292070731 /nfs/dbraw/zinc/07/07/31/1292070731.db2.gz WGUCSLYDVAEJTF-QGZVFWFLSA-N -1 0 340.379 2.812 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190391913 1292144729 /nfs/dbraw/zinc/14/47/29/1292144729.db2.gz XOTXYLBPDKASDX-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(F)cc1 ZINC001190401243 1292152284 /nfs/dbraw/zinc/15/22/84/1292152284.db2.gz HJWSQHNTIMINPH-LBPRGKRZSA-N -1 0 344.289 2.786 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cn1 ZINC001190616150 1292227286 /nfs/dbraw/zinc/22/72/86/1292227286.db2.gz JQPFAJFGNJPQEH-UHFFFAOYSA-N -1 0 344.371 2.694 20 30 EFEDRM Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617926 1292228559 /nfs/dbraw/zinc/22/85/59/1292228559.db2.gz VSXXOIJYQNJWHK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cnc1OC(C)C ZINC001190619669 1292228749 /nfs/dbraw/zinc/22/87/49/1292228749.db2.gz YNMUXTFHNLADPD-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(F)cc2Cl)c1 ZINC001190617383 1292228925 /nfs/dbraw/zinc/22/89/25/1292228925.db2.gz IJWKWUVBWXRAKQ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)c1 ZINC001190658335 1292249730 /nfs/dbraw/zinc/24/97/30/1292249730.db2.gz UNISJUNDDCUGRZ-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000879762378 1292262363 /nfs/dbraw/zinc/26/23/63/1292262363.db2.gz BFYAMOXVRCORCE-AWEZNQCLSA-N -1 0 345.752 2.855 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c(=O)[nH]ccc23)c1 ZINC001190647670 1292263278 /nfs/dbraw/zinc/26/32/78/1292263278.db2.gz FXOIEPMTOVELOJ-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)c1 ZINC001190647605 1292263870 /nfs/dbraw/zinc/26/38/70/1292263870.db2.gz AYDGJISWGNXXBN-UHFFFAOYSA-N -1 0 348.355 2.544 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC001190647727 1292263926 /nfs/dbraw/zinc/26/39/26/1292263926.db2.gz IOUYJBKLNMWKQX-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(CO)c2)c1 ZINC001190650270 1292264467 /nfs/dbraw/zinc/26/44/67/1292264467.db2.gz BXQJIXWJMLHTCL-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1C(C)=O ZINC001190650293 1292265360 /nfs/dbraw/zinc/26/53/60/1292265360.db2.gz CGKUGTFEBHIPLJ-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655264 1292269232 /nfs/dbraw/zinc/26/92/32/1292269232.db2.gz BYLJTRBUPWHVCW-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C(C)=O)ccc(OC)c2OC)CC1 ZINC001190806439 1292324606 /nfs/dbraw/zinc/32/46/06/1292324606.db2.gz AKLAXXDIDAOHRM-UHFFFAOYSA-N -1 0 339.413 2.757 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190887139 1292364922 /nfs/dbraw/zinc/36/49/22/1292364922.db2.gz LCVAUHCXMZSMLH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccncc2)c(C(F)(F)F)c1 ZINC001190886985 1292364993 /nfs/dbraw/zinc/36/49/93/1292364993.db2.gz IDGMQSCGBXFEEP-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(=O)c1ncccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939191 1292377946 /nfs/dbraw/zinc/37/79/46/1292377946.db2.gz SQTBCFOARPQAKN-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccn1 ZINC001190937559 1292378319 /nfs/dbraw/zinc/37/83/19/1292378319.db2.gz PIRIFZQVTAHSIY-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM Cc1cn2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2n1 ZINC001190937201 1292378602 /nfs/dbraw/zinc/37/86/02/1292378602.db2.gz FUZGNQFLLLOHTE-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM CC(C)c1nccnc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190942485 1292380730 /nfs/dbraw/zinc/38/07/30/1292380730.db2.gz INOVHIIVJCFXQS-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C#N ZINC001190971297 1292406003 /nfs/dbraw/zinc/40/60/03/1292406003.db2.gz GKINLIGZCLRKPZ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(C#N)c1 ZINC001191153293 1292480816 /nfs/dbraw/zinc/48/08/16/1292480816.db2.gz IZECQFPZOIDFOH-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1C#N ZINC001191144997 1292491884 /nfs/dbraw/zinc/49/18/84/1292491884.db2.gz URSWWBWDBHHHDH-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C#N)cc1 ZINC001191402479 1292527877 /nfs/dbraw/zinc/52/78/77/1292527877.db2.gz QWNWWLDUAMPYBM-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000903613375 1312941909 /nfs/dbraw/zinc/94/19/09/1312941909.db2.gz KEMPOQWMKKCFBS-UHFFFAOYSA-N -1 0 349.387 2.875 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191855894 1292674457 /nfs/dbraw/zinc/67/44/57/1292674457.db2.gz NTBODJJYYXHCFX-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)o1 ZINC001191866214 1292697877 /nfs/dbraw/zinc/69/78/77/1292697877.db2.gz PJUPCRRRWHGVQD-UHFFFAOYSA-N -1 0 329.740 2.589 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1n[n-]c(=O)cc1Cl ZINC001233586693 1312961195 /nfs/dbraw/zinc/96/11/95/1312961195.db2.gz HSWREWVOMXEJQV-LLVKDONJSA-N -1 0 341.795 2.780 20 30 EFEDRM CSc1nc(Cl)c(C(=O)[N-]c2onc(C)c2C#N)c(Cl)n1 ZINC001192612730 1292953018 /nfs/dbraw/zinc/95/30/18/1292953018.db2.gz LQEXSRSDGLOCPO-UHFFFAOYSA-N -1 0 344.183 2.926 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2snc(C)c2C#N)c1 ZINC001192756056 1293046498 /nfs/dbraw/zinc/04/64/98/1293046498.db2.gz JXIIMTYFPZHYJK-UHFFFAOYSA-N -1 0 337.426 2.695 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(OC)c2C#N)c1 ZINC001192816298 1293060681 /nfs/dbraw/zinc/06/06/81/1293060681.db2.gz MOZRIDWJUUUVMA-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c1 ZINC001192816811 1293060816 /nfs/dbraw/zinc/06/08/16/1293060816.db2.gz VGUDXVMNTGSCDH-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192826523 1293066141 /nfs/dbraw/zinc/06/61/41/1293066141.db2.gz BVPFYYSUMRMPEE-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(Br)cc2ccccc21 ZINC001192985622 1293116721 /nfs/dbraw/zinc/11/67/21/1293116721.db2.gz JVENPJRJFLGQPJ-UHFFFAOYSA-N -1 0 325.187 2.868 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cccc2cccc(Br)c21 ZINC001192988362 1293119591 /nfs/dbraw/zinc/11/95/91/1293119591.db2.gz MYCBOXFLPIYBDC-UHFFFAOYSA-N -1 0 325.187 2.868 20 30 EFEDRM CC(C)(C)OC(=O)Nc1cccc(Cl)c1[N-]S(=O)(=O)CC#N ZINC001192978908 1293130120 /nfs/dbraw/zinc/13/01/20/1293130120.db2.gz NHUMACDIBVBKOH-UHFFFAOYSA-N -1 0 345.808 2.952 20 30 EFEDRM CCc1nc(-c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2)n[nH]1 ZINC000129556081 1293144583 /nfs/dbraw/zinc/14/45/83/1293144583.db2.gz SZCWHKGURSYZJE-UHFFFAOYSA-N -1 0 333.351 2.864 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)nn1-c1ccccc1 ZINC001193106269 1293171665 /nfs/dbraw/zinc/17/16/65/1293171665.db2.gz FFTBFJUQAXQEQH-SECBINFHSA-N -1 0 344.318 2.545 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)nc2ccccc12 ZINC001193106793 1293171856 /nfs/dbraw/zinc/17/18/56/1293171856.db2.gz KCIDSQMIYOGUMP-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2ccc(Br)cc2c1 ZINC001193106918 1293171872 /nfs/dbraw/zinc/17/18/72/1293171872.db2.gz LGZZCMBWUOPHFQ-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)(F)F ZINC001193146613 1293185962 /nfs/dbraw/zinc/18/59/62/1293185962.db2.gz PNQYVCKCBNOOGJ-ZCFIWIBFSA-N -1 0 328.699 2.892 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(Br)c1Cl ZINC001193158670 1293188140 /nfs/dbraw/zinc/18/81/40/1293188140.db2.gz UBMDFCUIMFAXBL-YFKPBYRVSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(Br)c1F ZINC001193157425 1293188839 /nfs/dbraw/zinc/18/88/39/1293188839.db2.gz DPYSIDVBMMKKIW-YFKPBYRVSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001193157139 1293189051 /nfs/dbraw/zinc/18/90/51/1293189051.db2.gz BJXQLWSXEJUWAX-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OCc2ccccc2)cc1 ZINC001193161203 1293189769 /nfs/dbraw/zinc/18/97/69/1293189769.db2.gz MZVDVKCRMXTEQY-ZDUSSCGKSA-N -1 0 344.392 2.697 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)[C@@H](C)C#N)c1NC(=O)OC(C)(C)C ZINC001193161217 1293189804 /nfs/dbraw/zinc/18/98/04/1293189804.db2.gz NMARBRBGMOPPMI-NSHDSACASA-N -1 0 339.417 2.996 20 30 EFEDRM CCOc1cc(Br)ccc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193159024 1293189877 /nfs/dbraw/zinc/18/98/77/1293189877.db2.gz YQIQYPAYNKCJJS-MRVPVSSYSA-N -1 0 333.207 2.502 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OCC2CCC2)c(F)c1 ZINC001193161801 1293190200 /nfs/dbraw/zinc/19/02/00/1293190200.db2.gz SVYFJJGRZMLFBG-SECBINFHSA-N -1 0 330.356 2.797 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)C(F)(F)F ZINC001193160847 1293190248 /nfs/dbraw/zinc/19/02/48/1293190248.db2.gz IPKBBRVOICVIHA-LURJTMIESA-N -1 0 340.710 2.739 20 30 EFEDRM N#Cc1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193264836 1293221674 /nfs/dbraw/zinc/22/16/74/1293221674.db2.gz OEOTUJSYZLCXPH-SNVBAGLBSA-N -1 0 335.212 2.786 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(CC)ccc1Cl ZINC001233763021 1312986865 /nfs/dbraw/zinc/98/68/65/1312986865.db2.gz UKQKDKFVZGYRPL-GFCCVEGCSA-N -1 0 334.821 2.740 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)s2)c1 ZINC001193399931 1293289498 /nfs/dbraw/zinc/28/94/98/1293289498.db2.gz ZGNRFTWDCQNEEG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cnc(NC(=O)c2ccc([O-])c(C#N)c2)c(Br)c1 ZINC001193499924 1293309736 /nfs/dbraw/zinc/30/97/36/1293309736.db2.gz XUXWLTQISFCFKT-UHFFFAOYSA-N -1 0 343.140 2.545 20 30 EFEDRM COc1ccc(Br)c(NC(=O)c2ccc([O-])c(C#N)c2)n1 ZINC001193498139 1293325097 /nfs/dbraw/zinc/32/50/97/1293325097.db2.gz HUQMQOBJJMSLRJ-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM CC(C)(C)c1nc2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cn2n1 ZINC001193505606 1293335780 /nfs/dbraw/zinc/33/57/80/1293335780.db2.gz GSXLPDDVMVQDGU-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193506578 1293337055 /nfs/dbraw/zinc/33/70/55/1293337055.db2.gz UMQJZRSGLMIKJH-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)ncc1C#N ZINC000903643219 1312994608 /nfs/dbraw/zinc/99/46/08/1312994608.db2.gz OKWPOAUOTVXGRP-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM CN1c2cc(NC(=O)c3ccc([O-])c(C#N)c3)ccc2C(C)(C)C1=O ZINC001193512999 1293341202 /nfs/dbraw/zinc/34/12/02/1293341202.db2.gz WOIANEHXGIXQKT-UHFFFAOYSA-N -1 0 335.363 2.770 20 30 EFEDRM CC1(C)NC(=O)Nc2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc21 ZINC001193513061 1293341677 /nfs/dbraw/zinc/34/16/77/1293341677.db2.gz YTHDQERSYZLDKC-UHFFFAOYSA-N -1 0 336.351 2.886 20 30 EFEDRM N#Cc1cc(C(=O)NCC2(CC3CCC3)CCOCC2)ccc1[O-] ZINC001193518667 1293342875 /nfs/dbraw/zinc/34/28/75/1293342875.db2.gz DCEQOGPZLMMHET-UHFFFAOYSA-N -1 0 328.412 2.981 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001193635635 1293377503 /nfs/dbraw/zinc/37/75/03/1293377503.db2.gz CBWADNALQBCMLY-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM C[C@@H]1CN(C(=O)c2cccc(C#N)c2[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001193634707 1293378432 /nfs/dbraw/zinc/37/84/32/1293378432.db2.gz HPECCLAQZSVTBZ-CVEARBPZSA-N -1 0 349.434 2.999 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3ncoc3c2)c1 ZINC001193636724 1293379965 /nfs/dbraw/zinc/37/99/65/1293379965.db2.gz ZMRVZGMHADKCQV-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM N#Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1[O-] ZINC001193643660 1293384879 /nfs/dbraw/zinc/38/48/79/1293384879.db2.gz AJJMOJLYHVRTNG-NJAFHUGGSA-N -1 0 340.423 2.931 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c1[O-] ZINC001193647040 1293392432 /nfs/dbraw/zinc/39/24/32/1293392432.db2.gz TXHTTXNLZYTRAE-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM COC(=O)c1c[nH]c2ccc(NC(=O)c3cccc(C#N)c3[O-])cc21 ZINC001193652325 1293395029 /nfs/dbraw/zinc/39/50/29/1293395029.db2.gz DSJUGWGMZUZVOY-UHFFFAOYSA-N -1 0 335.319 2.784 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(F)c3c2OCCC3=O)c1[O-] ZINC001193652677 1293395864 /nfs/dbraw/zinc/39/58/64/1293395864.db2.gz LRHUUGHSPFARLH-UHFFFAOYSA-N -1 0 326.283 2.620 20 30 EFEDRM COc1cccc2c1SC[C@H](NC(=O)c1cccc(C#N)c1[O-])C2 ZINC001193658890 1293398350 /nfs/dbraw/zinc/39/83/50/1293398350.db2.gz GCAZRJYTNHINOI-CYBMUJFWSA-N -1 0 340.404 2.719 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001193681364 1293408134 /nfs/dbraw/zinc/40/81/34/1293408134.db2.gz UWZVUYCINLUQFT-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC001193687982 1293410464 /nfs/dbraw/zinc/41/04/64/1293410464.db2.gz RAXWDZHTEUBHOO-UHFFFAOYSA-N -1 0 341.392 2.859 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(F)c([O-])c2F)cc1C#N ZINC001193785295 1293429958 /nfs/dbraw/zinc/42/99/58/1293429958.db2.gz ZFTNENFEERIMHS-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)c2ccccc12 ZINC001193833705 1293456813 /nfs/dbraw/zinc/45/68/13/1293456813.db2.gz GMMAVVJXGMEYQK-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC000131229111 1293506446 /nfs/dbraw/zinc/50/64/46/1293506446.db2.gz LIQWYLLSBQPULK-CQSZACIVSA-N -1 0 341.436 2.889 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1C#N ZINC001194093026 1293530031 /nfs/dbraw/zinc/53/00/31/1293530031.db2.gz PWZSJWULDAUVOB-UHFFFAOYSA-N -1 0 327.365 2.950 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194105203 1293533007 /nfs/dbraw/zinc/53/30/07/1293533007.db2.gz WVTDBKUHEHFTPA-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194145943 1293534215 /nfs/dbraw/zinc/53/42/15/1293534215.db2.gz OERLVFYKZQDMEH-UHFFFAOYSA-N -1 0 344.421 2.821 20 30 EFEDRM Cc1coc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)c1C#N ZINC001194148592 1293536726 /nfs/dbraw/zinc/53/67/26/1293536726.db2.gz UJJJVKSLQXNTBJ-UHFFFAOYSA-N -1 0 327.731 2.946 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194295769 1293592122 /nfs/dbraw/zinc/59/21/22/1293592122.db2.gz WOLQMLRSIMOXKX-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM N#Cc1cc(NC(=O)c2cn(Cc3ccccc3F)cn2)ccc1O ZINC001194628500 1293679804 /nfs/dbraw/zinc/67/98/04/1293679804.db2.gz HVLVIZKHIUZDRW-UHFFFAOYSA-N -1 0 336.326 2.900 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2oc(C)nc2C#N)c(C)c1C ZINC001194837022 1293727161 /nfs/dbraw/zinc/72/71/61/1293727161.db2.gz KLNOGPFXVBRPTI-UHFFFAOYSA-N -1 0 335.385 2.589 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194976614 1293763844 /nfs/dbraw/zinc/76/38/44/1293763844.db2.gz KGBUHKFYWTWZCJ-UHFFFAOYSA-N -1 0 338.392 2.865 20 30 EFEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194978695 1293765021 /nfs/dbraw/zinc/76/50/21/1293765021.db2.gz JFXVEHOGMJFXOL-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1cc(NC(=O)c2ncnc(Cl)c2Cl)c([O-])cc1F ZINC001195025806 1293776750 /nfs/dbraw/zinc/77/67/50/1293776750.db2.gz CNVHNMHCXPXTMB-UHFFFAOYSA-N -1 0 327.102 2.752 20 30 EFEDRM C=CCCOc1ccc(C(=O)Nc2c[nH]c(C(=O)OCC)n2)cc1 ZINC001195124399 1293814573 /nfs/dbraw/zinc/81/45/73/1293814573.db2.gz JCGBHRKVGCBUOT-UHFFFAOYSA-N -1 0 329.356 2.794 20 30 EFEDRM CCOC(=O)NC(=S)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001195484536 1293938770 /nfs/dbraw/zinc/93/87/70/1293938770.db2.gz NPXGRZDLWKXYIE-UHFFFAOYSA-N -1 0 333.291 2.900 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1cc(Br)ccc1C#N ZINC001195483370 1293939179 /nfs/dbraw/zinc/93/91/79/1293939179.db2.gz CCTSLSGPYOVHOS-UHFFFAOYSA-N -1 0 328.191 2.764 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000133744514 1293991947 /nfs/dbraw/zinc/99/19/47/1293991947.db2.gz KFEAHGIRKAMCMN-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c([O-])c1 ZINC001195733196 1294004340 /nfs/dbraw/zinc/00/43/40/1294004340.db2.gz DDHJLFJQCFOWMH-UHFFFAOYSA-N -1 0 327.428 2.602 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)ccc3ccccc32)cn1 ZINC001195716753 1294009499 /nfs/dbraw/zinc/00/94/99/1294009499.db2.gz LGVINJXXDGIMLF-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccc(C(=O)NCCc2ccc(C(F)(F)F)nc2)c([O-])c1 ZINC001195758428 1294014599 /nfs/dbraw/zinc/01/45/99/1294014599.db2.gz ONFSXPHOJIRFOX-UHFFFAOYSA-N -1 0 335.285 2.650 20 30 EFEDRM COCCNc1cccc(F)c1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195759119 1294014699 /nfs/dbraw/zinc/01/46/99/1294014699.db2.gz WIZATWPZVROACB-UHFFFAOYSA-N -1 0 329.331 2.714 20 30 EFEDRM CN(C)C(=O)Oc1cccc(NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195758247 1294014873 /nfs/dbraw/zinc/01/48/73/1294014873.db2.gz LSBUQNLJGOHSLJ-UHFFFAOYSA-N -1 0 325.324 2.577 20 30 EFEDRM N#Cc1ccc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)c([O-])c1 ZINC001195763879 1294018505 /nfs/dbraw/zinc/01/85/05/1294018505.db2.gz FAIUWNCXAHCKAS-UHFFFAOYSA-N -1 0 331.331 2.668 20 30 EFEDRM CC(C)(C)c1nc2ccc(NC(=O)c3ccc(C#N)cc3[O-])cn2n1 ZINC001195740156 1294025470 /nfs/dbraw/zinc/02/54/70/1294025470.db2.gz AJBVXIVRQQIRBX-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1[O-] ZINC001195751344 1294029392 /nfs/dbraw/zinc/02/93/92/1294029392.db2.gz SODJQIJTOSIFSD-ZDUSSCGKSA-N -1 0 330.384 2.600 20 30 EFEDRM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195750710 1294029690 /nfs/dbraw/zinc/02/96/90/1294029690.db2.gz JHXOQRKZOPGNHE-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)cn2)cs1 ZINC001196133168 1294138454 /nfs/dbraw/zinc/13/84/54/1294138454.db2.gz YVJPVWRLKBJNFV-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196203717 1294162088 /nfs/dbraw/zinc/16/20/88/1294162088.db2.gz MJMZKLJOWLIOGO-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM N#Cc1cccc(-c2cc(O)cc(C(=O)N3CCc4[nH]cnc4C3)c2)c1 ZINC001196309044 1294185607 /nfs/dbraw/zinc/18/56/07/1294185607.db2.gz JXVKSKOSPDMMDR-UHFFFAOYSA-N -1 0 344.374 2.852 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196283868 1294193156 /nfs/dbraw/zinc/19/31/56/1294193156.db2.gz SYVWHFMBQHUSPM-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196385250 1294218834 /nfs/dbraw/zinc/21/88/34/1294218834.db2.gz ZEWPMGOSQOQMFU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2F)ccc1C#N ZINC001196387128 1294220438 /nfs/dbraw/zinc/22/04/38/1294220438.db2.gz LCOJSJDRLNLDBM-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=S(=O)([N-]CCC(F)(F)F)c1c(F)c(F)c(F)c(F)c1F ZINC000775714099 1294226865 /nfs/dbraw/zinc/22/68/65/1294226865.db2.gz ZJVYYCJYIVMMIB-UHFFFAOYSA-N -1 0 343.195 2.613 20 30 EFEDRM Cc1nc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196647442 1294317066 /nfs/dbraw/zinc/31/70/66/1294317066.db2.gz AYQZLFLGIFPNJJ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cn2ccccc2n1 ZINC001196650689 1294319424 /nfs/dbraw/zinc/31/94/24/1294319424.db2.gz WOQRXICBRIWSDR-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CSc1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cn1 ZINC001196650671 1294319578 /nfs/dbraw/zinc/31/95/78/1294319578.db2.gz VLDKAPLKVPUYQN-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001196712969 1294340381 /nfs/dbraw/zinc/34/03/81/1294340381.db2.gz FFJUGZLHKLMOMG-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000775747663 1294412957 /nfs/dbraw/zinc/41/29/57/1294412957.db2.gz WNPIJTANQCYKRI-SNVBAGLBSA-N -1 0 346.836 2.545 20 30 EFEDRM COC(=O)CCCCS(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N ZINC001196955345 1294421927 /nfs/dbraw/zinc/42/19/27/1294421927.db2.gz ZUDASFTTYHBIOU-UHFFFAOYSA-N -1 0 338.429 2.767 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC001197039810 1294438304 /nfs/dbraw/zinc/43/83/04/1294438304.db2.gz JPAPVFJISPTJBG-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM CC(C)n1ncc(C#N)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197077332 1294454145 /nfs/dbraw/zinc/45/41/45/1294454145.db2.gz QUYWAGKNMAOZOV-UHFFFAOYSA-N -1 0 329.385 2.843 20 30 EFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC001197106767 1294460024 /nfs/dbraw/zinc/46/00/24/1294460024.db2.gz NTMXQLJTAVDFNJ-MDZDMXLPSA-N -1 0 342.376 2.545 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCOC3(CCC3)C2)n1 ZINC000885660811 1294464527 /nfs/dbraw/zinc/46/45/27/1294464527.db2.gz LHSJJHBPXFIRKA-STQMWFEESA-N -1 0 348.424 2.520 20 30 EFEDRM O=C(N[C@@H]1C[C@H]1F)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197385250 1294523871 /nfs/dbraw/zinc/52/38/71/1294523871.db2.gz WWDGCZIRIBKAOP-RKDXNWHRSA-N -1 0 345.214 2.839 20 30 EFEDRM COc1cc(/C=C2/COc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000096767419 1294558576 /nfs/dbraw/zinc/55/85/76/1294558576.db2.gz ALZPRVCBSDCBHU-WDZFZDKYSA-N -1 0 327.292 2.968 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197504946 1294592944 /nfs/dbraw/zinc/59/29/44/1294592944.db2.gz PBMSDSPJNUJJIZ-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2c(F)cccc2F)SCC1=O ZINC001197566224 1294613087 /nfs/dbraw/zinc/61/30/87/1294613087.db2.gz ARXIIUSPDUADQH-UHFFFAOYSA-N -1 0 330.337 2.545 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000137222610 1294720896 /nfs/dbraw/zinc/72/08/96/1294720896.db2.gz JCAYCZQDXBZHPJ-NSHDSACASA-N -1 0 349.375 2.561 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)cc2)C(=O)O1 ZINC000048520688 1294864665 /nfs/dbraw/zinc/86/46/65/1294864665.db2.gz UUHNHXIWFJXSJD-ZBKLQPJUSA-N -1 0 335.153 2.677 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233887 1294945052 /nfs/dbraw/zinc/94/50/52/1294945052.db2.gz TYCFYAQMLBGDCB-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCC1(C#N)CC1 ZINC000775836236 1294970595 /nfs/dbraw/zinc/97/05/95/1294970595.db2.gz KVNWQTHYSYLGIE-UHFFFAOYSA-N -1 0 344.392 2.672 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nccc(Oc2cccc(C#N)c2)n1 ZINC000886912056 1295209395 /nfs/dbraw/zinc/20/93/95/1295209395.db2.gz JPKIYZHOROYWRG-OCCSQVGLSA-N -1 0 338.367 2.830 20 30 EFEDRM C[C@@H](C#N)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198779708 1295248777 /nfs/dbraw/zinc/24/87/77/1295248777.db2.gz UWTJPSRMPPPSHC-NSHDSACASA-N -1 0 330.365 2.813 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc3occc3c2)c(C#N)cc1C#N ZINC001198829409 1295256162 /nfs/dbraw/zinc/25/61/62/1295256162.db2.gz BOTGOPCSWNQZEV-UHFFFAOYSA-N -1 0 338.348 2.680 20 30 EFEDRM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234512276 1313141722 /nfs/dbraw/zinc/14/17/22/1313141722.db2.gz CGUWHIKYZYJDIM-TZMCWYRMSA-N -1 0 341.367 2.708 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)c(C)c1 ZINC001198943789 1295377782 /nfs/dbraw/zinc/37/77/82/1295377782.db2.gz QOYQUMOXOYRONQ-UHFFFAOYSA-N -1 0 336.344 2.521 20 30 EFEDRM CC(C)CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234530252 1313148382 /nfs/dbraw/zinc/14/83/82/1313148382.db2.gz JMRIJZIJTNOVLX-NSHDSACASA-N -1 0 329.356 2.564 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]C(=O)c1cnoc1C(F)(F)F ZINC001199049833 1295406364 /nfs/dbraw/zinc/40/63/64/1295406364.db2.gz QNDXNCMILVIPJB-UHFFFAOYSA-N -1 0 333.229 2.761 20 30 EFEDRM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c([O-])cc1F ZINC001274117435 1295469074 /nfs/dbraw/zinc/46/90/74/1295469074.db2.gz LUSRDOFIXJNKPH-HUUCEWRRSA-N -1 0 338.810 2.936 20 30 EFEDRM COc1cccc(-n2cncc2C(=O)Nc2ccc(C#N)cc2O)c1 ZINC001199387830 1295491638 /nfs/dbraw/zinc/49/16/38/1295491638.db2.gz IGRBRICONKITFP-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121525530 1295505459 /nfs/dbraw/zinc/50/54/59/1295505459.db2.gz UHYFONIVZZHXKA-HNNXBMFYSA-N -1 0 328.416 2.770 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121525367 1295505600 /nfs/dbraw/zinc/50/56/00/1295505600.db2.gz UHYFONIVZZHXKA-OAHLLOKOSA-N -1 0 328.416 2.770 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)c(O)c1)CC2 ZINC001274182942 1295551195 /nfs/dbraw/zinc/55/11/95/1295551195.db2.gz XLYIQXUZNYTUOG-CQSZACIVSA-N -1 0 334.847 2.950 20 30 EFEDRM C=C[C@H](C)Oc1[n-]c(=O)nc2cc(I)ccc21 ZINC001234675073 1313181532 /nfs/dbraw/zinc/18/15/32/1313181532.db2.gz AZLFTCNYKHUCFP-ZETCQYMHSA-N -1 0 342.136 2.893 20 30 EFEDRM C=C[C@@H](C)Oc1[n-]c(=O)nc2cc(I)ccc21 ZINC001234675072 1313181642 /nfs/dbraw/zinc/18/16/42/1313181642.db2.gz AZLFTCNYKHUCFP-SSDOTTSWSA-N -1 0 342.136 2.893 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234819020 1313194742 /nfs/dbraw/zinc/19/47/42/1313194742.db2.gz GLVUAWIWXULCIT-ZFWWWQNUSA-N -1 0 331.372 2.633 20 30 EFEDRM N#Cc1ccnc(N2CCC(Oc3nc4sccc4[nH]3)CC2)c1 ZINC001234847590 1313197940 /nfs/dbraw/zinc/19/79/40/1313197940.db2.gz KIKVCNVSWXZHRX-UHFFFAOYSA-N -1 0 325.397 2.939 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777292904 1295991559 /nfs/dbraw/zinc/99/15/59/1295991559.db2.gz NNZAABVWPGZEJU-MRXNPFEDSA-N -1 0 329.400 2.530 20 30 EFEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cncc(C#N)c2)c1C#N ZINC000826761575 1295994214 /nfs/dbraw/zinc/99/42/14/1295994214.db2.gz LTUYNIWFFGSTHP-UHFFFAOYSA-N -1 0 346.437 2.985 20 30 EFEDRM C#C[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000776095584 1296282938 /nfs/dbraw/zinc/28/29/38/1296282938.db2.gz YRPNXLJLZLJJKN-LBPRGKRZSA-N -1 0 347.367 2.805 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000776096809 1296285076 /nfs/dbraw/zinc/28/50/76/1296285076.db2.gz DYPXXUIFNBCMLZ-QWHCGFSZSA-N -1 0 327.771 2.695 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C)cc2)n1 ZINC000007069454 1296430934 /nfs/dbraw/zinc/43/09/34/1296430934.db2.gz UUAKGMMUURRJOS-AWEZNQCLSA-N -1 0 328.393 2.722 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccccc1C(F)(F)F ZINC000776123089 1296496923 /nfs/dbraw/zinc/49/69/23/1296496923.db2.gz XBCFNAIEAYYCCF-JTQLQIEISA-N -1 0 348.346 2.559 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(-c2ccoc2)c1 ZINC000776137594 1296573262 /nfs/dbraw/zinc/57/32/62/1296573262.db2.gz FLIMWEFMMVLKNZ-UHFFFAOYSA-N -1 0 332.381 2.556 20 30 EFEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000776138410 1296592731 /nfs/dbraw/zinc/59/27/31/1296592731.db2.gz ZTQLSKWADQIQLK-UHFFFAOYSA-N -1 0 328.478 2.979 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000776140079 1296634045 /nfs/dbraw/zinc/63/40/45/1296634045.db2.gz YXKDWIJITQZVLJ-UHFFFAOYSA-N -1 0 335.212 2.603 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(Cl)c(Cl)c1 ZINC000776141121 1296647876 /nfs/dbraw/zinc/64/78/76/1296647876.db2.gz YDIRSFFNYVQGPT-UHFFFAOYSA-N -1 0 335.212 2.603 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000776143604 1296650669 /nfs/dbraw/zinc/65/06/69/1296650669.db2.gz IPYFJNMYTMEQBW-MELADBBJSA-N -1 0 326.462 2.589 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(SC(F)F)cc1 ZINC000776144406 1296651554 /nfs/dbraw/zinc/65/15/54/1296651554.db2.gz OBYQDHURRQOJDD-UHFFFAOYSA-N -1 0 348.396 2.611 20 30 EFEDRM C=CCN1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235302042 1313285713 /nfs/dbraw/zinc/28/57/13/1313285713.db2.gz LGOXNDXOZRMLBF-UHFFFAOYSA-N -1 0 329.213 2.597 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1C#N ZINC001201251995 1296660399 /nfs/dbraw/zinc/66/03/99/1296660399.db2.gz PVFHDLQWFYHNOV-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n1 ZINC001201288317 1296683210 /nfs/dbraw/zinc/68/32/10/1296683210.db2.gz XRZPNUZCDLHPNO-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cs1 ZINC001201293108 1296699047 /nfs/dbraw/zinc/69/90/47/1296699047.db2.gz QBTYSFDPXWPILJ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2csc3nccnc23)cc1C#N ZINC001201294676 1296708027 /nfs/dbraw/zinc/70/80/27/1296708027.db2.gz CQEXASADQIBTTK-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1C#N ZINC001201295132 1296708184 /nfs/dbraw/zinc/70/81/84/1296708184.db2.gz LSEUNCFBBKJDII-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM COc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201295020 1296708305 /nfs/dbraw/zinc/70/83/05/1296708305.db2.gz ITOIUYHFZLXZSO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1C#N ZINC001201294690 1296708490 /nfs/dbraw/zinc/70/84/90/1296708490.db2.gz DFKCMJGABUYACX-UHFFFAOYSA-N -1 0 344.396 2.825 20 30 EFEDRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295592 1296710201 /nfs/dbraw/zinc/71/02/01/1296710201.db2.gz VNXWNOQZUYHIFJ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)ccc23)cc1C#N ZINC001201320148 1296725340 /nfs/dbraw/zinc/72/53/40/1296725340.db2.gz QBNIVKJWMKAKHI-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(CO)c(Cl)c2)cc1C#N ZINC001201320410 1296725564 /nfs/dbraw/zinc/72/55/64/1296725564.db2.gz YXTQVPKSDYEKAX-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)c(C#N)c2)cc1C#N ZINC001201320274 1296725729 /nfs/dbraw/zinc/72/57/29/1296725729.db2.gz UWPLCITXPFFRCK-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncn(C)c32)cc1C#N ZINC001201322772 1296727076 /nfs/dbraw/zinc/72/70/76/1296727076.db2.gz UCHCGZNXXPASNX-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323387 1296727347 /nfs/dbraw/zinc/72/73/47/1296727347.db2.gz BZOCVRICKXVWEY-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3snnc32)cc1C#N ZINC001201322121 1296727739 /nfs/dbraw/zinc/72/77/39/1296727739.db2.gz DHCCEFLEOHZYRK-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1C#N ZINC001201323662 1296728115 /nfs/dbraw/zinc/72/81/15/1296728115.db2.gz KQLBKXFVWKTTAZ-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(C(=O)[O-])cc2)C[C@H]1C#N ZINC001205680387 1313336763 /nfs/dbraw/zinc/33/67/63/1313336763.db2.gz DQRANZJOUVEGJT-LSDHHAIUSA-N -1 0 346.383 2.803 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(C(=O)[O-])cc2)[C@H](C#N)C1 ZINC001205681266 1313337115 /nfs/dbraw/zinc/33/71/15/1313337115.db2.gz UNIAJGOIIOPPIU-CABCVRRESA-N -1 0 346.383 2.660 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc2ccccc2c1 ZINC001205767445 1313352377 /nfs/dbraw/zinc/35/23/77/1313352377.db2.gz HOHOJYNMLQGXTL-QGZVFWFLSA-N -1 0 336.409 2.815 20 30 EFEDRM C=CCC[C@@H](NC(=O)N(C)[C@@H](COCC)C(=O)[O-])c1ccccc1 ZINC000929044324 1297153661 /nfs/dbraw/zinc/15/36/61/1297153661.db2.gz LQHDVINMLQGQST-CVEARBPZSA-N -1 0 334.416 2.825 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@](CC)(COC)C(=O)[O-])c1ccccc1 ZINC000929044953 1297153979 /nfs/dbraw/zinc/15/39/79/1297153979.db2.gz PSKZSQQDFUOBQM-YJBOKZPZSA-N -1 0 334.416 2.873 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000778597355 1297695218 /nfs/dbraw/zinc/69/52/18/1297695218.db2.gz YXPQNXRAOOXEJX-MRXNPFEDSA-N -1 0 333.384 2.991 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000042302865 1297698161 /nfs/dbraw/zinc/69/81/61/1297698161.db2.gz NUAOFRAIUMRLQV-UHFFFAOYSA-N -1 0 340.404 2.935 20 30 EFEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000042303272 1297698493 /nfs/dbraw/zinc/69/84/93/1297698493.db2.gz VXZRRRZXUMCRCQ-ZDUSSCGKSA-N -1 0 344.392 2.979 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000042304412 1297698507 /nfs/dbraw/zinc/69/85/07/1297698507.db2.gz KMAJFZNMWGWOLU-LBPRGKRZSA-N -1 0 330.365 2.671 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000042302850 1297699027 /nfs/dbraw/zinc/69/90/27/1297699027.db2.gz ZSLKTGWXRZYGQL-UHFFFAOYSA-N -1 0 326.377 2.740 20 30 EFEDRM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(F)c2C#N)cc1 ZINC000778735586 1297710639 /nfs/dbraw/zinc/71/06/39/1297710639.db2.gz LWMCKKZZJWXZGM-UHFFFAOYSA-N -1 0 346.383 2.520 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159760882 1297762342 /nfs/dbraw/zinc/76/23/42/1297762342.db2.gz NUNYWJBPYIKILM-QGZVFWFLSA-N -1 0 348.406 2.915 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1Cc1ccccc1 ZINC000779172791 1298025326 /nfs/dbraw/zinc/02/53/26/1298025326.db2.gz PUEKSELHRJGDRB-UHFFFAOYSA-N -1 0 344.378 2.872 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCc3ccccc32)CCCC1 ZINC000779320695 1298204501 /nfs/dbraw/zinc/20/45/01/1298204501.db2.gz AKAYBRZXIQJRET-INIZCTEOSA-N -1 0 346.452 2.636 20 30 EFEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000079149763 1298360759 /nfs/dbraw/zinc/36/07/59/1298360759.db2.gz XAMTWRILAHHPPQ-UHFFFAOYSA-N -1 0 330.818 2.940 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cn(CC)c2ccccc12 ZINC000193351546 1298430518 /nfs/dbraw/zinc/43/05/18/1298430518.db2.gz RFMJWAHZSWNGFD-OAHLLOKOSA-N -1 0 341.411 2.526 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(CC(=O)[O-])ccc2F)c(C#N)c1 ZINC001245317540 1314469093 /nfs/dbraw/zinc/46/90/93/1314469093.db2.gz WBDQXLHZNGETCF-UHFFFAOYSA-N -1 0 328.299 2.563 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000108250464 1298493780 /nfs/dbraw/zinc/49/37/80/1298493780.db2.gz SZAVLVBDGSKNPO-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)C(F)(F)F)c(Br)c1 ZINC001252267892 1298747996 /nfs/dbraw/zinc/74/79/96/1298747996.db2.gz RMSPHGZYKVFJBV-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000108624766 1298759636 /nfs/dbraw/zinc/75/96/36/1298759636.db2.gz ZAEFJMBRFNLHKE-GFCCVEGCSA-N -1 0 329.381 2.784 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000779845694 1298958236 /nfs/dbraw/zinc/95/82/36/1298958236.db2.gz SZKLZPNUNFUKLZ-JTQLQIEISA-N -1 0 337.788 2.827 20 30 EFEDRM Nc1cnnc(N=NCc2ccc(C(=O)[O-])cc2Cl)c1Cl ZINC001325205578 1329675063 /nfs/dbraw/zinc/67/50/63/1329675063.db2.gz CLCLFQRWNHGSNK-UHFFFAOYSA-N -1 0 326.143 2.510 20 30 EFEDRM C[C@@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086055523 1299257294 /nfs/dbraw/zinc/25/72/94/1299257294.db2.gz OROPAZQLPSZMTP-GFCCVEGCSA-N -1 0 344.477 2.690 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)C(F)(F)F ZINC001252354787 1299311271 /nfs/dbraw/zinc/31/12/71/1299311271.db2.gz AHNOMYUAUXKKAE-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-] ZINC000776597216 1299714732 /nfs/dbraw/zinc/71/47/32/1299714732.db2.gz NRKKEQHPWOKMFT-MMQHEFTJSA-N -1 0 329.805 2.650 20 30 EFEDRM C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852759853 1299871301 /nfs/dbraw/zinc/87/13/01/1299871301.db2.gz WUJIZNYTYHNOCH-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM CCCn1nccc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000853002193 1299965978 /nfs/dbraw/zinc/96/59/78/1299965978.db2.gz IMNIIWHYBVOAED-WAYWQWQTSA-N -1 0 328.368 2.825 20 30 EFEDRM Cc1nc(Cl)cc(N=NC(C)c2cc(C(=O)[O-])c(C)nc2C)n1 ZINC000776726728 1300526024 /nfs/dbraw/zinc/52/60/24/1300526024.db2.gz SZQHVYKYUMYVSY-UHFFFAOYSA-N -1 0 333.779 2.985 20 30 EFEDRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000088799872 1300630277 /nfs/dbraw/zinc/63/02/77/1300630277.db2.gz ATPTZRZWJLDUNG-UHFFFAOYSA-N -1 0 340.445 2.597 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000088800005 1300630875 /nfs/dbraw/zinc/63/08/75/1300630875.db2.gz HZDOJTVLFUHESB-UHFFFAOYSA-N -1 0 347.421 2.865 20 30 EFEDRM N#Cc1ccnc(N2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC001237798759 1313708690 /nfs/dbraw/zinc/70/86/90/1313708690.db2.gz NADIGIYMCAXSAY-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000245554364 1300650276 /nfs/dbraw/zinc/65/02/76/1300650276.db2.gz QZYWTMRIEMPTSS-QAQDUYKDSA-N -1 0 348.468 2.967 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(OCC)c(Cl)c1 ZINC000112483716 1300655985 /nfs/dbraw/zinc/65/59/85/1300655985.db2.gz UVXDWWUWCQNRKV-LBPRGKRZSA-N -1 0 337.807 2.763 20 30 EFEDRM Cc1nnc(N=NC2C[C@H](OCc3ccccc3)C2(C)C)[n-]c1=O ZINC000776760513 1300710402 /nfs/dbraw/zinc/71/04/02/1300710402.db2.gz RZDBTTVHOBXJTP-AWEZNQCLSA-N -1 0 327.388 2.669 20 30 EFEDRM CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776767172 1300749297 /nfs/dbraw/zinc/74/92/97/1300749297.db2.gz AGIDBLIFSXYLQX-UHFFFAOYSA-N -1 0 341.302 2.805 20 30 EFEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000089490341 1300820273 /nfs/dbraw/zinc/82/02/73/1300820273.db2.gz AAZXAWNLTVTXQR-UHFFFAOYSA-N -1 0 325.365 2.605 20 30 EFEDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C ZINC000089490382 1300820298 /nfs/dbraw/zinc/82/02/98/1300820298.db2.gz KIKWIEHEDRDVFS-UHFFFAOYSA-N -1 0 325.390 2.676 20 30 EFEDRM N#Cc1sccc1N1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000855336693 1300918935 /nfs/dbraw/zinc/91/89/35/1300918935.db2.gz ZYISXYWZQDIZED-UHFFFAOYSA-N -1 0 347.827 2.941 20 30 EFEDRM O=C([N-]C[C@H](OC1CCCC1)C(F)(F)F)C(F)(F)C(F)F ZINC000855391688 1300940057 /nfs/dbraw/zinc/94/00/57/1300940057.db2.gz SJWYBNOMAMNJSU-ZETCQYMHSA-N -1 0 325.224 2.893 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000855440373 1300956329 /nfs/dbraw/zinc/95/63/29/1300956329.db2.gz IMGQDXZSOUPIHT-LBPRGKRZSA-N -1 0 343.452 2.651 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000089971937 1300962045 /nfs/dbraw/zinc/96/20/45/1300962045.db2.gz LOSRFLRGASAWSG-UHFFFAOYSA-N -1 0 344.820 2.511 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089970390 1300962089 /nfs/dbraw/zinc/96/20/89/1300962089.db2.gz DTEMEIFHLLQMCN-JTQLQIEISA-N -1 0 332.447 2.675 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089970391 1300962249 /nfs/dbraw/zinc/96/22/49/1300962249.db2.gz DTEMEIFHLLQMCN-SNVBAGLBSA-N -1 0 332.447 2.675 20 30 EFEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CCCF)c1C1CC1 ZINC000089979650 1300963290 /nfs/dbraw/zinc/96/32/90/1300963290.db2.gz JSCILHWVIVZXHE-JTQLQIEISA-N -1 0 331.413 2.726 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)C3CC3)cc2[n-]c1=S ZINC000855859453 1301147305 /nfs/dbraw/zinc/14/73/05/1301147305.db2.gz CENWPKUOIHBJNF-CQSZACIVSA-N -1 0 343.452 2.790 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000856030950 1301210688 /nfs/dbraw/zinc/21/06/88/1301210688.db2.gz YEGOTGIDOXEECS-LLVKDONJSA-N -1 0 343.210 2.970 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000856029470 1301210736 /nfs/dbraw/zinc/21/07/36/1301210736.db2.gz PEOJARWFVCFJTD-KRWDZBQOSA-N -1 0 347.459 2.833 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000856034769 1301211880 /nfs/dbraw/zinc/21/18/80/1301211880.db2.gz UQKVSZYQRKAPRS-IAQYHMDHSA-N -1 0 340.782 2.622 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@]3(C)CC3(C)C)cc2[n-]c1=S ZINC000856134418 1301248039 /nfs/dbraw/zinc/24/80/39/1301248039.db2.gz MNRBKXWWKMTUIO-GOSISDBHSA-N -1 0 343.452 2.790 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)c2ccco2)n1 ZINC000859818319 1301588404 /nfs/dbraw/zinc/58/84/04/1301588404.db2.gz OQPDRAREINSLCU-JQWIXIFHSA-N -1 0 332.381 2.958 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117082630 1301659172 /nfs/dbraw/zinc/65/91/72/1301659172.db2.gz SPUIQSSYFMBSOB-KRWDZBQOSA-N -1 0 338.411 2.891 20 30 EFEDRM C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238231924 1313787396 /nfs/dbraw/zinc/78/73/96/1313787396.db2.gz FPODUVCHSNXXNN-UHFFFAOYSA-N -1 0 346.402 2.667 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)oc1C ZINC000860461275 1301813458 /nfs/dbraw/zinc/81/34/58/1301813458.db2.gz HOFJPKHBGYWSHW-INIZCTEOSA-N -1 0 340.379 2.730 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nn(C)c2ccccc21 ZINC000860464096 1301815113 /nfs/dbraw/zinc/81/51/13/1301815113.db2.gz OAYWITSSLDLUJM-CQSZACIVSA-N -1 0 326.400 2.592 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000860473639 1301820165 /nfs/dbraw/zinc/82/01/65/1301820165.db2.gz OSFVWBIAHCRSGT-SECBINFHSA-N -1 0 346.692 2.840 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CC(C2CCC2)C2CCC2)CCC1 ZINC000860669709 1301877571 /nfs/dbraw/zinc/87/75/71/1301877571.db2.gz JBNCRLCDSPHFTO-UHFFFAOYSA-N -1 0 338.473 2.733 20 30 EFEDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC ZINC000860689801 1301886024 /nfs/dbraw/zinc/88/60/24/1301886024.db2.gz JVSYKCRTKPUMAG-UHFFFAOYSA-N -1 0 337.445 2.512 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860871184 1301950188 /nfs/dbraw/zinc/95/01/88/1301950188.db2.gz XTINRXINPUUJJF-JSGCOSHPSA-N -1 0 338.429 2.745 20 30 EFEDRM CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861012899 1301990205 /nfs/dbraw/zinc/99/02/05/1301990205.db2.gz MTGBIDLOSQIUMX-UHFFFAOYSA-N -1 0 326.393 2.614 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)cn1 ZINC000862423221 1302378763 /nfs/dbraw/zinc/37/87/63/1302378763.db2.gz RWJLGIODCNPAPI-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C4CCC3CC4)cc2[n-]c1=S ZINC000862901126 1302495840 /nfs/dbraw/zinc/49/58/40/1302495840.db2.gz GQTIHQNLMNKPLC-UHFFFAOYSA-N -1 0 341.436 2.638 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCC(F)(F)C(F)(F)F)c1)C(=O)[O-] ZINC000863180079 1302549478 /nfs/dbraw/zinc/54/94/78/1302549478.db2.gz YFSSSZHUXRXJBX-QMMMGPOBSA-N -1 0 340.248 2.660 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000863950768 1302744080 /nfs/dbraw/zinc/74/40/80/1302744080.db2.gz LYYAJGLIWYKJEQ-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1 ZINC000091018428 1302880767 /nfs/dbraw/zinc/88/07/67/1302880767.db2.gz NPUDDTFBDKDZOC-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000091125696 1303027942 /nfs/dbraw/zinc/02/79/42/1303027942.db2.gz XDAAVAJKFUWTCJ-UHFFFAOYSA-N -1 0 342.376 2.577 20 30 EFEDRM N#CCCN(CCC#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864976903 1303108345 /nfs/dbraw/zinc/10/83/45/1303108345.db2.gz FWZIQTXWJKORQO-UHFFFAOYSA-N -1 0 340.152 2.563 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)cc1C(C)(C)C ZINC000865220463 1303193869 /nfs/dbraw/zinc/19/38/69/1303193869.db2.gz KCDTXDVZKLZNRS-SOFGYWHQSA-N -1 0 342.395 2.688 20 30 EFEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1ccc(Cl)cc1[O-] ZINC000865226291 1303195638 /nfs/dbraw/zinc/19/56/38/1303195638.db2.gz RYBMZWDSPSZSIO-BPJJOFIESA-N -1 0 333.775 2.712 20 30 EFEDRM N#Cc1cccc(Br)c1N1CCC(C2N=NC(=O)O2)CC1 ZINC000865758804 1303387312 /nfs/dbraw/zinc/38/73/12/1303387312.db2.gz ONEUKLOJIJTDSR-UHFFFAOYSA-N -1 0 349.188 2.793 20 30 EFEDRM COc1ccc(COCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410100 1313910861 /nfs/dbraw/zinc/91/08/61/1313910861.db2.gz GMYDOFBUDOBJGS-UHFFFAOYSA-N -1 0 326.352 2.818 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCCCOc2ccccc2)cc1)C(=O)[O-] ZINC000794908935 1303594687 /nfs/dbraw/zinc/59/46/87/1303594687.db2.gz LLXZLFIXFXQCAM-HNNXBMFYSA-N -1 0 342.395 2.931 20 30 EFEDRM COC(=O)c1ccccc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794921764 1303654387 /nfs/dbraw/zinc/65/43/87/1303654387.db2.gz LXAJTFUWTCEHDD-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM COCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCOCC1 ZINC000780188218 1313932692 /nfs/dbraw/zinc/93/26/92/1313932692.db2.gz MCQYNMGFSLKFMU-UHFFFAOYSA-N -1 0 326.780 2.879 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000121998437 1304098414 /nfs/dbraw/zinc/09/84/14/1304098414.db2.gz BCHPZXBYLFJZLE-OAHLLOKOSA-N -1 0 338.411 2.843 20 30 EFEDRM N#Cc1cccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000122167592 1304317374 /nfs/dbraw/zinc/31/73/74/1304317374.db2.gz LUIFMHWKBKYRJZ-GQCTYLIASA-N -1 0 348.402 2.992 20 30 EFEDRM CC(C)(CC#N)CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC000868842301 1304501896 /nfs/dbraw/zinc/50/18/96/1304501896.db2.gz XIPJOEDKRWGCEB-UHFFFAOYSA-N -1 0 329.169 2.963 20 30 EFEDRM N#CC1(CNC(=O)c2cc(Br)cc(F)c2[O-])CCC1 ZINC000868903163 1304526215 /nfs/dbraw/zinc/52/62/15/1304526215.db2.gz JGKCRTAUYDTYMJ-UHFFFAOYSA-N -1 0 327.153 2.717 20 30 EFEDRM COCCCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000795053051 1304633816 /nfs/dbraw/zinc/63/38/16/1304633816.db2.gz GWRGPOZZAJDHSC-UHFFFAOYSA-N -1 0 333.340 2.944 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000122495795 1304686398 /nfs/dbraw/zinc/68/63/98/1304686398.db2.gz OLZXVCNXKJJTJD-CYBMUJFWSA-N -1 0 340.770 2.620 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(SC(F)(F)F)o1 ZINC000870133400 1305159235 /nfs/dbraw/zinc/15/92/35/1305159235.db2.gz WQTWTXITBMXYBD-MRVPVSSYSA-N -1 0 332.303 2.836 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(=O)OC)c1 ZINC000870134218 1305160252 /nfs/dbraw/zinc/16/02/52/1305160252.db2.gz KXHZWACBPBDJJO-MRXNPFEDSA-N -1 0 344.411 2.801 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@H]2CCOC2)nc1C ZINC000870135224 1305161117 /nfs/dbraw/zinc/16/11/17/1305161117.db2.gz UBEZRDKBXWSHGW-QWHCGFSZSA-N -1 0 349.456 2.584 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000870138862 1305164032 /nfs/dbraw/zinc/16/40/32/1305164032.db2.gz OSIRHBCBJYWRHM-INIZCTEOSA-N -1 0 342.395 2.553 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123098381 1305295530 /nfs/dbraw/zinc/29/55/30/1305295530.db2.gz WQLUYUIQXHMGLC-HNNXBMFYSA-N -1 0 325.368 2.804 20 30 EFEDRM C[C@@H](CSc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123113021 1305300030 /nfs/dbraw/zinc/30/00/30/1305300030.db2.gz KIUDBKTYAFGCIG-SMDDNHRTSA-N -1 0 345.399 2.879 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000123181363 1305382977 /nfs/dbraw/zinc/38/29/77/1305382977.db2.gz RHNVOPZFSDTWOY-BCFZYGEVSA-N -1 0 325.412 2.918 20 30 EFEDRM Cc1oc(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000796725584 1305412495 /nfs/dbraw/zinc/41/24/95/1305412495.db2.gz XMWFCIRPJKTKDE-UHFFFAOYSA-N -1 0 332.381 2.702 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000123240455 1305449740 /nfs/dbraw/zinc/44/97/40/1305449740.db2.gz RFEIKSQYKKOWGU-ZDUSSCGKSA-N -1 0 340.770 2.689 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1CN(C)C ZINC000870647396 1305467484 /nfs/dbraw/zinc/46/74/84/1305467484.db2.gz YRYYBJJWIQXTOO-UHFFFAOYSA-N -1 0 340.489 2.914 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1ccccc1C(F)(F)F ZINC000123283882 1305548148 /nfs/dbraw/zinc/54/81/48/1305548148.db2.gz JPDFBJGVUOQIBZ-LLVKDONJSA-N -1 0 335.285 2.573 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1-c1nccc(/C=N/O)c1C(OC)OC ZINC001240734316 1314063814 /nfs/dbraw/zinc/06/38/14/1314063814.db2.gz UIFBIANHYTXSES-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1-c1ccc(CN(C)/C(C)=N/C#N)cn1 ZINC001240734338 1314063984 /nfs/dbraw/zinc/06/39/84/1314063984.db2.gz VZWFLQBOJIKBDR-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc(C(=O)[O-])ccc1C ZINC001241000238 1314091439 /nfs/dbraw/zinc/09/14/39/1314091439.db2.gz JNKMUOOUIBJABF-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241187889 1314101293 /nfs/dbraw/zinc/10/12/93/1314101293.db2.gz RMMMYDYVXZECLK-UHFFFAOYSA-N -1 0 338.356 2.976 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000796605386 1306719269 /nfs/dbraw/zinc/71/92/69/1306719269.db2.gz OOIRPYWSNDBDTC-UHFFFAOYSA-N -1 0 328.393 2.606 20 30 EFEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000796606341 1306729652 /nfs/dbraw/zinc/72/96/52/1306729652.db2.gz ZKEJHFWIDKCSMF-OAHLLOKOSA-N -1 0 328.393 2.579 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796612302 1306776648 /nfs/dbraw/zinc/77/66/48/1306776648.db2.gz PFEQGELJAMHNML-MRXNPFEDSA-N -1 0 342.420 2.888 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2cncc(C(=O)[O-])c2)n1 ZINC001241799700 1314151355 /nfs/dbraw/zinc/15/13/55/1314151355.db2.gz DNMBEUUXETVTFJ-CYBMUJFWSA-N -1 0 339.351 2.791 20 30 EFEDRM N#Cc1nc(-c2ccccc2)c(-c2cncc(C(=O)[O-])c2)nc1C#N ZINC001241801122 1314152099 /nfs/dbraw/zinc/15/20/99/1314152099.db2.gz XPWNOHCYELAYFB-UHFFFAOYSA-N -1 0 327.303 2.647 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC001251325763 1315340118 /nfs/dbraw/zinc/34/01/18/1315340118.db2.gz QMIPNCIKBBLCMK-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(OC)c(C(=O)[O-])c1 ZINC001241856362 1314157581 /nfs/dbraw/zinc/15/75/81/1314157581.db2.gz VJSYVNQBPUXFRQ-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM C#Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)c1 ZINC001241917617 1314162970 /nfs/dbraw/zinc/16/29/70/1314162970.db2.gz UOTIAOZOIGGONC-UHFFFAOYSA-N -1 0 341.417 2.987 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260466473 1316340817 /nfs/dbraw/zinc/34/08/17/1316340817.db2.gz YAFYRPIOGFGASL-UHFFFAOYSA-N -1 0 334.209 2.627 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1ccc(C(=O)[O-])nc1 ZINC001242334030 1314199688 /nfs/dbraw/zinc/19/96/88/1314199688.db2.gz JSZKJADCEJOQLT-DJKKODMXSA-N -1 0 342.355 2.635 20 30 EFEDRM COc1cc(C#N)cc(-c2cccc(C(=O)[O-])c2F)c1OC(C)=O ZINC001242379029 1314202105 /nfs/dbraw/zinc/20/21/05/1314202105.db2.gz DLSJJEJPJGDYPZ-UHFFFAOYSA-N -1 0 329.283 2.996 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc(-c2ccnn2C)ccc1C)C(=O)[O-] ZINC000900343080 1308016067 /nfs/dbraw/zinc/01/60/67/1308016067.db2.gz CTKHGMSEUUDLTN-AWEZNQCLSA-N -1 0 342.399 2.936 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(SC)ccc1Cl)C(=O)[O-] ZINC000900348642 1308028652 /nfs/dbraw/zinc/02/86/52/1308028652.db2.gz CDLAZACNNCUVIK-GFCCVEGCSA-N -1 0 344.820 2.839 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccccc1C(=O)[O-] ZINC001242879437 1314241356 /nfs/dbraw/zinc/24/13/56/1314241356.db2.gz RPXGEXFKYNIVRF-CYBMUJFWSA-N -1 0 347.330 2.775 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cccc(C(=O)[O-])c1OC ZINC001242921721 1314245546 /nfs/dbraw/zinc/24/55/46/1314245546.db2.gz ZLLKUQAWMHXFKW-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM CCOC(=O)c1cnc(-c2cccc(C(=O)[O-])c2OC)c(C#N)c1 ZINC001242922461 1314245682 /nfs/dbraw/zinc/24/56/82/1314245682.db2.gz FCHPLLVKMCCVJS-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2OC)cc1CC#N ZINC001242925252 1314245999 /nfs/dbraw/zinc/24/59/99/1314245999.db2.gz YERJPIMBSBVNHB-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM COc1ccc(CCS(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000800785993 1308418855 /nfs/dbraw/zinc/41/88/55/1308418855.db2.gz DMXDGMYZILRZFO-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)n(C)c1C ZINC000800805370 1308453138 /nfs/dbraw/zinc/45/31/38/1308453138.db2.gz NYWVZAZHNUTNRR-UHFFFAOYSA-N -1 0 349.774 2.918 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC000800808066 1308459914 /nfs/dbraw/zinc/45/99/14/1308459914.db2.gz FDZANJLKWLIOOP-PKFCDNJMSA-N -1 0 336.461 2.644 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2cc(C)ccc2F)cc1C(=O)[O-] ZINC000800810973 1308464853 /nfs/dbraw/zinc/46/48/53/1308464853.db2.gz BLMYUZSVVMLMSW-UHFFFAOYSA-N -1 0 334.376 2.789 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000800818452 1308481827 /nfs/dbraw/zinc/48/18/27/1308481827.db2.gz YTZHNIPCHGMUBH-UHFFFAOYSA-N -1 0 346.314 2.522 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000800836443 1308516869 /nfs/dbraw/zinc/51/68/69/1308516869.db2.gz VQEKXBFGPDJILH-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM N#Cc1nc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)[n-]c1C#N ZINC001413195586 1308553313 /nfs/dbraw/zinc/55/33/13/1308553313.db2.gz QTADPRZLTANUGH-UHFFFAOYSA-N -1 0 345.284 2.842 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(OC)c(C(=O)[O-])c2)c(C#N)c1 ZINC001209904393 1314257280 /nfs/dbraw/zinc/25/72/80/1314257280.db2.gz JLIVBUVVVJVKQS-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209903631 1314257295 /nfs/dbraw/zinc/25/72/95/1314257295.db2.gz XOTWGJNQKVAFSY-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000013357610 1308897774 /nfs/dbraw/zinc/89/77/74/1308897774.db2.gz JIRLYBNPYCCXPY-JXMROGBWSA-N -1 0 340.331 2.833 20 30 EFEDRM CCc1nc(C#N)cc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000900957299 1309033453 /nfs/dbraw/zinc/03/34/53/1309033453.db2.gz XVKWMKZIYGOCGE-UHFFFAOYSA-N -1 0 336.395 2.993 20 30 EFEDRM COc1ccc(Nc2cccc(OC)c2C#N)c(S(=O)(=O)[O-])c1 ZINC001210124510 1314285005 /nfs/dbraw/zinc/28/50/05/1314285005.db2.gz COXQWRYDSKAPJJ-UHFFFAOYSA-N -1 0 334.353 2.566 20 30 EFEDRM N#Cc1ncccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001210146866 1314287961 /nfs/dbraw/zinc/28/79/61/1314287961.db2.gz FBQFAMACPJPTLD-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM N#Cc1c(N)cc(=N)n(-c2cccc(Cl)c2[O-])c1Br ZINC001210216407 1314296296 /nfs/dbraw/zinc/29/62/96/1314296296.db2.gz WREFPTCUHPCSOK-UHFFFAOYSA-N -1 0 339.580 2.532 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)cc1Cl ZINC000801142538 1309218424 /nfs/dbraw/zinc/21/84/24/1309218424.db2.gz MCYWSHOYJFXVAX-UHFFFAOYSA-N -1 0 338.754 2.790 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1-c1ccccn1 ZINC001210255590 1314302926 /nfs/dbraw/zinc/30/29/26/1314302926.db2.gz WUMBDOCXKOCCIC-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM COc1ccc(Cl)c2c1CCCC2=NNc1nnc(C)c(=O)[n-]1 ZINC000901141869 1309594001 /nfs/dbraw/zinc/59/40/01/1309594001.db2.gz NCEMCEKINTWYEJ-UHFFFAOYSA-N -1 0 333.779 2.700 20 30 EFEDRM N#C[C@@H]1CC=C(c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)CC1 ZINC001243798370 1314324223 /nfs/dbraw/zinc/32/42/23/1314324223.db2.gz NKBXUOYCHVBLEJ-CYBMUJFWSA-N -1 0 340.408 2.984 20 30 EFEDRM N#Cc1ccc2ncc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc2c1 ZINC001244029554 1314344987 /nfs/dbraw/zinc/34/49/87/1314344987.db2.gz OBQILWKHHDDXMW-UHFFFAOYSA-N -1 0 346.346 2.972 20 30 EFEDRM N#Cc1ccc2c(c1)ncnc2-c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001244030283 1314345082 /nfs/dbraw/zinc/34/50/82/1314345082.db2.gz ZXNWROCTJBMGJI-UHFFFAOYSA-N -1 0 346.346 2.972 20 30 EFEDRM COc1ccc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)nc1CC#N ZINC001244030691 1314345541 /nfs/dbraw/zinc/34/55/41/1314345541.db2.gz ABJIWFSWPTVOSU-UHFFFAOYSA-N -1 0 339.351 2.627 20 30 EFEDRM CC[C@H](NN=C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC000901245182 1309960408 /nfs/dbraw/zinc/96/04/08/1309960408.db2.gz ADKITBXMXVUNTL-ZDUSSCGKSA-N -1 0 339.436 2.606 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(C#N)cc1N ZINC001244093900 1314351770 /nfs/dbraw/zinc/35/17/70/1314351770.db2.gz RVZJLFBGLNSMMQ-UHFFFAOYSA-N -1 0 341.396 2.645 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCCC[C@H]1O ZINC000901334156 1310168570 /nfs/dbraw/zinc/16/85/70/1310168570.db2.gz HFEZWUVQEWTZAJ-ZTFGCOKTSA-N -1 0 348.443 2.740 20 30 EFEDRM CC(C)(C)OC(=O)Cn1cc(Nc2cc(C#N)c(F)cc2[O-])cn1 ZINC001210833818 1314396770 /nfs/dbraw/zinc/39/67/70/1314396770.db2.gz FNBAFJPZKYVDEO-UHFFFAOYSA-N -1 0 332.335 2.685 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)nn1 ZINC000901523843 1310606060 /nfs/dbraw/zinc/60/60/60/1310606060.db2.gz IHDRHTPUAVBSHK-ABZNLYFFSA-N -1 0 329.356 2.607 20 30 EFEDRM COc1cc(/C=C2\C(=O)c3nccn3[C@@H]2C)ccc1OCCC(=O)[O-] ZINC000901564005 1310672456 /nfs/dbraw/zinc/67/24/56/1310672456.db2.gz DANNVDPLMKNBPZ-NASPGAHYSA-N -1 0 342.351 2.586 20 30 EFEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccc([O-])cc1Cl ZINC000901578366 1310691632 /nfs/dbraw/zinc/69/16/32/1310691632.db2.gz LRZJERGRZIDLIN-RJNRQISESA-N -1 0 333.775 2.712 20 30 EFEDRM COc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000019300540 1314417726 /nfs/dbraw/zinc/41/77/26/1314417726.db2.gz GABXBLYWWHQTAO-WOJGMQOQSA-N -1 0 330.340 2.979 20 30 EFEDRM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)n1 ZINC000901715870 1310932564 /nfs/dbraw/zinc/93/25/64/1310932564.db2.gz XZOLGIUTOBSLQV-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000750676187 1311088320 /nfs/dbraw/zinc/08/83/20/1311088320.db2.gz RBFNCGPPRKFNSK-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1C ZINC000901897253 1311167948 /nfs/dbraw/zinc/16/79/48/1311167948.db2.gz VESPMOMJNAJHEW-UHFFFAOYSA-N -1 0 348.428 2.533 20 30 EFEDRM C=CCOc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1Cl ZINC000901910256 1311185619 /nfs/dbraw/zinc/18/56/19/1311185619.db2.gz LZFWBVXEZQMSJJ-IAQYHMDHSA-N -1 0 325.792 2.579 20 30 EFEDRM C#C[C@@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C(=O)OCC ZINC001222938438 1311200884 /nfs/dbraw/zinc/20/08/84/1311200884.db2.gz HJQHTCUQHRYMTQ-ZJUCDATASA-N -1 0 331.702 2.692 20 30 EFEDRM CC(=O)N1CC[C@@H](OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222940387 1311201190 /nfs/dbraw/zinc/20/11/90/1311201190.db2.gz SYWSMVNMXYNYTE-IQRLKCEISA-N -1 0 332.734 2.748 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1c(C)c(C)cc(C)c1C ZINC001223590908 1311279774 /nfs/dbraw/zinc/27/97/74/1311279774.db2.gz PBSQNVLLPZKFQN-MRXNPFEDSA-N -1 0 342.457 2.896 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)OCc1ccc(S(=O)(=O)[O-])cc1 ZINC001223744251 1311298200 /nfs/dbraw/zinc/29/82/00/1311298200.db2.gz LLUKXYCWOWWDEJ-ZDUSSCGKSA-N -1 0 342.413 2.736 20 30 EFEDRM COC(=O)[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)c1ccccc1 ZINC001223892455 1311316370 /nfs/dbraw/zinc/31/63/70/1311316370.db2.gz HOSWVEALWUSPSI-NCJSADBTSA-N -1 0 345.351 2.771 20 30 EFEDRM N#CC1(OC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)CCC1 ZINC000782607377 1311368259 /nfs/dbraw/zinc/36/82/59/1311368259.db2.gz JSVNUFIITKFXFM-UHFFFAOYSA-N -1 0 348.302 2.551 20 30 EFEDRM C[Si](C)(C)C#C[C@H](OCCCS(=O)(=O)[O-])c1ccccc1 ZINC001224892936 1311447471 /nfs/dbraw/zinc/44/74/71/1311447471.db2.gz GHQHDJZQGMIKAD-HNNXBMFYSA-N -1 0 326.490 2.903 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1OCCCC[P@@](=O)([O-])O ZINC001225023529 1311465733 /nfs/dbraw/zinc/46/57/33/1311465733.db2.gz XHSWYKHSZOFMIB-CYBMUJFWSA-N -1 0 349.364 2.527 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)co1 ZINC000802213387 1311468129 /nfs/dbraw/zinc/46/81/29/1311468129.db2.gz YHLSYPDKNXCKSE-LLVKDONJSA-N -1 0 347.321 2.544 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC001225238087 1311493069 /nfs/dbraw/zinc/49/30/69/1311493069.db2.gz GBELDQMRRDVNBF-GFCCVEGCSA-N -1 0 340.319 2.543 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C(C)(C)C)c1 ZINC001225241593 1311493461 /nfs/dbraw/zinc/49/34/61/1311493461.db2.gz DPNPVYCPYUYFCX-OAHLLOKOSA-N -1 0 328.430 2.822 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1 ZINC001225515929 1311535100 /nfs/dbraw/zinc/53/51/00/1311535100.db2.gz WVSDQSDCZLUUQW-NSHDSACASA-N -1 0 328.386 2.599 20 30 EFEDRM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1F ZINC001225886437 1311586794 /nfs/dbraw/zinc/58/67/94/1311586794.db2.gz XZJLDQPLNKRYKH-JTQLQIEISA-N -1 0 342.248 2.800 20 30 EFEDRM Cc1ccc(N2CCC[C@H](Oc3[n-]c(=O)c(F)cc3C#N)C2)nc1 ZINC001226008909 1311600831 /nfs/dbraw/zinc/60/08/31/1311600831.db2.gz NWBIXEHPGYUZON-ZDUSSCGKSA-N -1 0 328.347 2.549 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001226008664 1311600876 /nfs/dbraw/zinc/60/08/76/1311600876.db2.gz LNQFKKYJMQTIRH-AWEZNQCLSA-N -1 0 328.255 2.987 20 30 EFEDRM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226014338 1311601219 /nfs/dbraw/zinc/60/12/19/1311601219.db2.gz VUDZEWRSZGAKRE-PHIMTYICSA-N -1 0 337.351 2.575 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1O[C@H]1C[C@@H](C(=O)OCc2ccccc2)C1 ZINC001226016116 1311601336 /nfs/dbraw/zinc/60/13/36/1311601336.db2.gz QNZPYKLMVGRMSG-XBXGTLAGSA-N -1 0 342.326 2.699 20 30 EFEDRM COC(=O)[C@H]1CC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)CC1 ZINC001226068404 1311608787 /nfs/dbraw/zinc/60/87/87/1311608787.db2.gz OTFXSKLMEUKPPE-DTORHVGOSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C#N ZINC001226222226 1311632475 /nfs/dbraw/zinc/63/24/75/1311632475.db2.gz WMWYDTIGDFANSO-YRGRVCCFSA-N -1 0 345.399 2.744 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1C#N ZINC001226222247 1311632579 /nfs/dbraw/zinc/63/25/79/1311632579.db2.gz WZZJEHOOOLCDJZ-YPMHNXCESA-N -1 0 333.388 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226222668 1311633070 /nfs/dbraw/zinc/63/30/70/1311633070.db2.gz GIPNRSXSSHNXAG-UXIGCNINSA-N -1 0 345.399 2.744 20 30 EFEDRM O=[N+]([O-])c1ccc([C@H](Oc2nccc(/C=N/[O-])n2)C(F)(F)F)cc1 ZINC001226256263 1311637717 /nfs/dbraw/zinc/63/77/17/1311637717.db2.gz PJEYOTZLNKZFFX-TUVHXFJTSA-N -1 0 342.233 2.875 20 30 EFEDRM CC[C@H](C#Cc1ccccc1)Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226416965 1311663915 /nfs/dbraw/zinc/66/39/15/1311663915.db2.gz PGOBLIUNIKCARW-OAHLLOKOSA-N -1 0 332.377 2.848 20 30 EFEDRM N#Cc1ccc(OCCNc2nc[n-]c3nc(=S)sc2-3)cc1 ZINC001160283159 1311680150 /nfs/dbraw/zinc/68/01/50/1311680150.db2.gz LARRZCLSCAUIMB-UHFFFAOYSA-N -1 0 329.410 2.738 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2cc(C#N)ccc2c1 ZINC001226813065 1311727433 /nfs/dbraw/zinc/72/74/33/1311727433.db2.gz JRCPADYBNGYXKQ-KRWDZBQOSA-N -1 0 347.392 2.549 20 30 EFEDRM C=CC[C@@H]1[C@H](Oc2ccc(=O)[nH]n2)CCCN1C(=O)OC(C)(C)C ZINC001227094042 1311761299 /nfs/dbraw/zinc/76/12/99/1311761299.db2.gz ZATISHPCVMVXCR-CHWSQXEVSA-N -1 0 335.404 2.905 20 30 EFEDRM C=CC[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1Br)C(C)C ZINC001227333462 1311794693 /nfs/dbraw/zinc/79/46/93/1311794693.db2.gz YZANPHWUNCZNOU-MRVPVSSYSA-N -1 0 345.193 2.711 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(O)cc1C(C)(C)C ZINC001227440783 1311807247 /nfs/dbraw/zinc/80/72/47/1311807247.db2.gz OLWMATBGFHXJIC-ZDUSSCGKSA-N -1 0 344.429 2.528 20 30 EFEDRM C#CC[C@@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495782 1311812723 /nfs/dbraw/zinc/81/27/23/1311812723.db2.gz VYGZEENWLVONEU-SNVBAGLBSA-N -1 0 340.397 2.988 20 30 EFEDRM C#C[C@H](CCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621238 1311832357 /nfs/dbraw/zinc/83/23/57/1311832357.db2.gz CSLNQORKBYQDBY-SECBINFHSA-N -1 0 326.370 2.598 20 30 EFEDRM CSc1nc(O[C@H](C#N)c2ccccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628241 1311833608 /nfs/dbraw/zinc/83/36/08/1311833608.db2.gz NNSKZTFDCUNZMX-SECBINFHSA-N -1 0 336.304 2.595 20 30 EFEDRM N#C[C@@H]1CC[C@@H](Oc2cc3cc(S(=O)(=O)[O-])ccc3cc2O)C1 ZINC001227638661 1311835375 /nfs/dbraw/zinc/83/53/75/1311835375.db2.gz YYLASHYNUULTBT-ZWNOBZJWSA-N -1 0 333.365 2.863 20 30 EFEDRM C#C[C@@H]1CCC[C@H]1Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639102 1311835482 /nfs/dbraw/zinc/83/54/82/1311835482.db2.gz GGQIEXJCQRHSNT-BDJLRTHQSA-N -1 0 332.377 2.973 20 30 EFEDRM C=CCOc1ccccc1[C@@H](C)Oc1c[n-]c(C(=O)OC)cc1=O ZINC001227785537 1311855322 /nfs/dbraw/zinc/85/53/22/1311855322.db2.gz IBWUVMFCQSXTOF-GFCCVEGCSA-N -1 0 329.352 2.866 20 30 EFEDRM C=CCOc1ccccc1[C@H](C)Oc1c[n-]c(C(=O)OC)cc1=O ZINC001227785539 1311855438 /nfs/dbraw/zinc/85/54/38/1311855438.db2.gz IBWUVMFCQSXTOF-LBPRGKRZSA-N -1 0 329.352 2.866 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(OCCCC)c1 ZINC001227944685 1311876967 /nfs/dbraw/zinc/87/69/67/1311876967.db2.gz FJNJOOUXJKEVOV-MRXNPFEDSA-N -1 0 344.429 2.703 20 30 EFEDRM C#CC[C@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228519415 1311960339 /nfs/dbraw/zinc/96/03/39/1311960339.db2.gz OQUPQQJVPHZPEX-ZDUSSCGKSA-N -1 0 342.347 2.921 20 30 EFEDRM N#C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001228609142 1311969680 /nfs/dbraw/zinc/96/96/80/1311969680.db2.gz ABMNKUPUDABSHP-NSHDSACASA-N -1 0 330.275 2.751 20 30 EFEDRM CCOC(=O)Cc1cnc(=S)[nH]c1O[C@H](C)C#C[Si](C)(C)C ZINC001228714446 1311987320 /nfs/dbraw/zinc/98/73/20/1311987320.db2.gz QUAVJBYRSUVUHB-LLVKDONJSA-N -1 0 338.505 2.519 20 30 EFEDRM N#CC1(CCN2c3ccccc3C([O-])=CS2(=O)=O)CCCCC1 ZINC000902660986 1311990602 /nfs/dbraw/zinc/99/06/02/1311990602.db2.gz FPTWIYCDTXKWHJ-UHFFFAOYSA-N -1 0 332.425 2.883 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C#N)c2ccccc2)cc1[O-] ZINC001228811952 1312003511 /nfs/dbraw/zinc/00/35/11/1312003511.db2.gz SUHDOGRJPHKFKG-HNNXBMFYSA-N -1 0 328.280 2.731 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899430 1312016900 /nfs/dbraw/zinc/01/69/00/1312016900.db2.gz XFKLXCFJFRGDPI-CYBMUJFWSA-N -1 0 331.372 2.603 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1Cc2cccc(Br)c2C1 ZINC001228900767 1312017035 /nfs/dbraw/zinc/01/70/35/1312017035.db2.gz HMZTUPFWLOETEZ-NSHDSACASA-N -1 0 331.169 2.968 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228900016 1312017125 /nfs/dbraw/zinc/01/71/25/1312017125.db2.gz BWJFVELVGJXLJZ-CYBMUJFWSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@H](COc1ccccc1)OCCCOc1[n-]c(=O)ccc1C#N ZINC001228902168 1312017858 /nfs/dbraw/zinc/01/78/58/1312017858.db2.gz QLZMXQMDDBJKAM-CQSZACIVSA-N -1 0 328.368 2.912 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001228902054 1312017865 /nfs/dbraw/zinc/01/78/65/1312017865.db2.gz OWLBKDMMLLFAOU-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM C=CCC(CC=C)Oc1nc(I)cc(=O)[n-]1 ZINC001228945621 1312025047 /nfs/dbraw/zinc/02/50/47/1312025047.db2.gz BIJSLROXMGDTID-UHFFFAOYSA-N -1 0 332.141 2.686 20 30 EFEDRM C=C[C@@H](C)Oc1[n-]c(=O)nc2c(I)cccc12 ZINC001229112316 1312049549 /nfs/dbraw/zinc/04/95/49/1312049549.db2.gz QMOVFMYHMOUUHQ-SSDOTTSWSA-N -1 0 342.136 2.893 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802865439 1312089440 /nfs/dbraw/zinc/08/94/40/1312089440.db2.gz YQZMRGFHNNZZOG-UHFFFAOYSA-N -1 0 331.459 2.624 20 30 EFEDRM C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000802890728 1312112982 /nfs/dbraw/zinc/11/29/82/1312112982.db2.gz HIBWNHUIVLDFGO-QGZVFWFLSA-N -1 0 346.383 2.885 20 30 EFEDRM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3ncnc(=O)[n-]3)[C@@H]12 ZINC001229610683 1312119567 /nfs/dbraw/zinc/11/95/67/1312119567.db2.gz UWDCIYXZCXMYMX-CFMPDUIESA-N -1 0 325.368 2.983 20 30 EFEDRM C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21 ZINC001230665618 1312305036 /nfs/dbraw/zinc/30/50/36/1312305036.db2.gz GUFIXEKEDNPISP-SNVBAGLBSA-N -1 0 328.324 2.968 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2cc(C)ccc21 ZINC001230887773 1312381020 /nfs/dbraw/zinc/38/10/20/1312381020.db2.gz DDYWZYATTOJFKP-UHFFFAOYSA-N -1 0 330.384 2.796 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)cc1CC ZINC000903172699 1312428392 /nfs/dbraw/zinc/42/83/92/1312428392.db2.gz BPZFEMIMJUFXSY-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC2CC(C#N)C2)c1C#N ZINC001231227631 1312458157 /nfs/dbraw/zinc/45/81/57/1312458157.db2.gz HCEASHSRDSBAAU-UHFFFAOYSA-N -1 0 334.291 2.878 20 30 EFEDRM O=C([N-]CCNc1cc(F)c(OC(F)F)c(F)c1)C(F)(F)F ZINC001164246310 1312477291 /nfs/dbraw/zinc/47/72/91/1312477291.db2.gz YOJOABMETYUEDB-UHFFFAOYSA-N -1 0 334.191 2.657 20 30 EFEDRM COc1ccc(CN(CCC#N)Cc2cccnc2)cc1C(=O)[O-] ZINC001231750110 1312559600 /nfs/dbraw/zinc/55/96/00/1312559600.db2.gz WXVQKRBJIBKNDG-UHFFFAOYSA-N -1 0 325.368 2.704 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc(CC(=O)[O-])ccc1F ZINC001245316258 1314468568 /nfs/dbraw/zinc/46/85/68/1314468568.db2.gz NOXHPHVQJJUHDL-AWQFTUOYSA-N -1 0 348.330 2.614 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2cc(CC(=O)[O-])ccc2F)nc1 ZINC001245317615 1314469065 /nfs/dbraw/zinc/46/90/65/1314469065.db2.gz SZAOLYOAGUBXEI-WSDLNYQXSA-N -1 0 340.358 2.846 20 30 EFEDRM N#Cc1ccc(-c2cc(=O)n(-c3ccc(Cn4cncn4)cc3)[n-]2)cc1 ZINC001245933013 1314551395 /nfs/dbraw/zinc/55/13/95/1314551395.db2.gz OEWUMITZECSDJM-UHFFFAOYSA-N -1 0 342.362 2.756 20 30 EFEDRM COc1c(F)c(F)cc(-c2cc(=O)n(-c3ccc(C#N)nc3)[n-]2)c1F ZINC001245930441 1314551447 /nfs/dbraw/zinc/55/14/47/1314551447.db2.gz HOWTXUFGXZKTBK-UHFFFAOYSA-N -1 0 346.268 2.937 20 30 EFEDRM N#Cc1ccc(C(=O)n2[n-]c(-c3ccc4c(c3)OCCO4)cc2=O)cc1 ZINC001245945798 1314554299 /nfs/dbraw/zinc/55/42/99/1314554299.db2.gz XGDNPVOSZBPTJY-UHFFFAOYSA-N -1 0 347.330 2.587 20 30 EFEDRM COc1ccc(OC)c(-c2cc(=O)n(C(=O)c3ccc(C#N)cc3)[n-]2)c1 ZINC001245950914 1314554803 /nfs/dbraw/zinc/55/48/03/1314554803.db2.gz HTYUSKIGBJYWCG-UHFFFAOYSA-N -1 0 349.346 2.833 20 30 EFEDRM COc1cc(Nc2c(C#N)cnn2-c2ccccn2)cc(C(=O)[O-])c1 ZINC001213586721 1314577985 /nfs/dbraw/zinc/57/79/85/1314577985.db2.gz JLCGGTOVCGOFIA-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1OC(C)C ZINC000119713911 1314691566 /nfs/dbraw/zinc/69/15/66/1314691566.db2.gz YEMKANXZHQOXTB-OAHLLOKOSA-N -1 0 344.411 2.864 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1sccc1Br ZINC000119872880 1314727400 /nfs/dbraw/zinc/72/74/00/1314727400.db2.gz GGHAGIHKFGOSLM-VIFPVBQESA-N -1 0 341.230 2.892 20 30 EFEDRM N#Cc1cnc(Nc2cc(C(=O)[O-])cnc2F)c(Br)c1 ZINC001215119515 1314784045 /nfs/dbraw/zinc/78/40/45/1314784045.db2.gz ALBXVDHYLQSZGQ-UHFFFAOYSA-N -1 0 337.108 2.692 20 30 EFEDRM N#Cc1nc(Cl)c([N-]c2c(F)ccc([N+](=O)[O-])c2F)nc1C#N ZINC001215289576 1314809661 /nfs/dbraw/zinc/80/96/61/1314809661.db2.gz NNGMLIIXUYITSO-UHFFFAOYSA-N -1 0 336.645 2.803 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215469223 1314839595 /nfs/dbraw/zinc/83/95/95/1314839595.db2.gz PDIZSKZKZJTILG-UHFFFAOYSA-N -1 0 345.305 2.946 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(C(F)(F)C(F)(F)C(=O)[O-])n2)c1 ZINC001248046169 1314883877 /nfs/dbraw/zinc/88/38/77/1314883877.db2.gz ZPZZWGLALCFRIO-UHFFFAOYSA-N -1 0 333.172 2.559 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3ccccc3N3CCOCC3)no2)c([O-])c1 ZINC001217038874 1315032306 /nfs/dbraw/zinc/03/23/06/1315032306.db2.gz KCQVMSXTBZXXER-UHFFFAOYSA-N -1 0 348.362 2.817 20 30 EFEDRM COc1ccnc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)c1 ZINC001217502245 1315079112 /nfs/dbraw/zinc/07/91/12/1315079112.db2.gz ICISSXOTZUWQDP-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1cnccc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217507553 1315079172 /nfs/dbraw/zinc/07/91/72/1315079172.db2.gz TZIJYIJCPKUKJO-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1cc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)ccn1 ZINC001217502525 1315079237 /nfs/dbraw/zinc/07/92/37/1315079237.db2.gz MTSDQRDDYWDQLL-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1cc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)ccn1 ZINC001217506001 1315079655 /nfs/dbraw/zinc/07/96/55/1315079655.db2.gz FPHYORVFFCHOSX-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM N#Cc1cccc(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)c1 ZINC001217554145 1315084646 /nfs/dbraw/zinc/08/46/46/1315084646.db2.gz VOPAJVNJNYYGGQ-UHFFFAOYSA-N -1 0 347.286 2.793 20 30 EFEDRM N#Cc1ccccc1OC1CN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249781037 1315135944 /nfs/dbraw/zinc/13/59/44/1315135944.db2.gz LODGXCSLTZWDPO-UHFFFAOYSA-N -1 0 344.317 2.798 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1O ZINC001251005906 1315309175 /nfs/dbraw/zinc/30/91/75/1315309175.db2.gz RBVSWHGEWNIZTN-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1C#N ZINC001251005190 1315309302 /nfs/dbraw/zinc/30/93/02/1315309302.db2.gz DETBDLNKBSISCZ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251321393 1315340304 /nfs/dbraw/zinc/34/03/04/1315340304.db2.gz NJTJZUXEQIFDAR-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cn1 ZINC001251200886 1315330518 /nfs/dbraw/zinc/33/05/18/1315330518.db2.gz VFEQBKNKKNNIIJ-UHFFFAOYSA-N -1 0 348.252 2.559 20 30 EFEDRM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251239549 1315333816 /nfs/dbraw/zinc/33/38/16/1315333816.db2.gz IAIMBXHTHKFOOV-LBPRGKRZSA-N -1 0 342.289 2.599 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccn1 ZINC001251317194 1315340158 /nfs/dbraw/zinc/34/01/58/1315340158.db2.gz GBWKJGOYUVBAIZ-UHFFFAOYSA-N -1 0 327.192 2.592 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251321375 1315340275 /nfs/dbraw/zinc/34/02/75/1315340275.db2.gz MFYUPBKTXZUTHB-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM C#C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411911 1315346847 /nfs/dbraw/zinc/34/68/47/1315346847.db2.gz OJUHNHAMNNVQHU-SECBINFHSA-N -1 0 334.224 2.733 20 30 EFEDRM N#C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411428 1315347227 /nfs/dbraw/zinc/34/72/27/1315347227.db2.gz AIVPDDVCTZVUTL-QMMMGPOBSA-N -1 0 335.212 2.623 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 ZINC001251685980 1315366191 /nfs/dbraw/zinc/36/61/91/1315366191.db2.gz KMRNAPCALOSMQP-UHFFFAOYSA-N -1 0 325.205 2.597 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C#N)cc1C#N ZINC001251709597 1315369705 /nfs/dbraw/zinc/36/97/05/1315369705.db2.gz OKVSLZDEPSLAHU-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#CCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC001251890304 1315385099 /nfs/dbraw/zinc/38/50/99/1315385099.db2.gz URKYFSLFJRFLFZ-UHFFFAOYSA-N -1 0 339.376 2.938 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccccc2)cc1 ZINC001252102731 1315413173 /nfs/dbraw/zinc/41/31/73/1315413173.db2.gz SCVKYYFFAWLMMD-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)C(F)(F)F)c(Br)cc1F ZINC001252355407 1315438429 /nfs/dbraw/zinc/43/84/29/1315438429.db2.gz RDDDKCZYTQFODO-UHFFFAOYSA-N -1 0 347.087 2.721 20 30 EFEDRM O=C(c1cccc(F)c1[N-]S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC001252364491 1315439539 /nfs/dbraw/zinc/43/95/39/1315439539.db2.gz LHDSTEIPEWIQEN-UHFFFAOYSA-N -1 0 339.188 2.832 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000316689150 1315471088 /nfs/dbraw/zinc/47/10/88/1315471088.db2.gz UPZOIHQNYPXSHL-LBPRGKRZSA-N -1 0 330.306 2.924 20 30 EFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)Cc2ccccc2)c1C#N ZINC001252818224 1315510487 /nfs/dbraw/zinc/51/04/87/1315510487.db2.gz YZJYCDAUYWQMHK-UHFFFAOYSA-N -1 0 348.380 2.578 20 30 EFEDRM CCCCCCCCCC[C@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC ZINC001252985812 1315546179 /nfs/dbraw/zinc/54/61/79/1315546179.db2.gz HMCPOHRMVJGYOU-HOTGVXAUSA-N -1 0 345.480 2.874 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253183808 1315577692 /nfs/dbraw/zinc/57/76/92/1315577692.db2.gz RQKUFIKKGVROJQ-UHFFFAOYSA-N -1 0 343.124 2.625 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1cccc(C(F)(F)F)c1F ZINC001253210577 1315581450 /nfs/dbraw/zinc/58/14/50/1315581450.db2.gz OXFNSPCVWNXDRR-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1scc(C)c1C#N ZINC001253937187 1315653319 /nfs/dbraw/zinc/65/33/19/1315653319.db2.gz OGCSMMDJAZFILR-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C#CCOc1cccc(OCc2cn(-c3cccc(C(=O)[O-])c3)nn2)c1 ZINC001254098243 1315672699 /nfs/dbraw/zinc/67/26/99/1315672699.db2.gz FJXYIMALCKYKFY-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM N#CCc1ccc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)cc1 ZINC001254164187 1315677164 /nfs/dbraw/zinc/67/71/64/1315677164.db2.gz HAYOBZQEZJIIMP-UHFFFAOYSA-N -1 0 344.330 2.812 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001254419572 1315702903 /nfs/dbraw/zinc/70/29/03/1315702903.db2.gz AHOBKZGPRAQPCW-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(F)cccc2C#N)c1 ZINC001254419845 1315703046 /nfs/dbraw/zinc/70/30/46/1315703046.db2.gz JOAFRZKNVKWZAA-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccc1 ZINC001254519790 1315715355 /nfs/dbraw/zinc/71/53/55/1315715355.db2.gz MVIMDUBZWYVZPL-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254950492 1315763544 /nfs/dbraw/zinc/76/35/44/1315763544.db2.gz WOGDHPPMYQFQFO-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(O)c1 ZINC001254949742 1315763752 /nfs/dbraw/zinc/76/37/52/1315763752.db2.gz NTHXSYASOWLFLR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC001255279889 1315799183 /nfs/dbraw/zinc/79/91/83/1315799183.db2.gz CPHFHJCARGKIBM-MRXNPFEDSA-N -1 0 340.404 2.723 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1ccccc1F ZINC001255416498 1315821199 /nfs/dbraw/zinc/82/11/99/1315821199.db2.gz JLSPNMLVDPABKB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC001255483659 1315830250 /nfs/dbraw/zinc/83/02/50/1315830250.db2.gz SQYRAKNWRFEGHC-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(F)(F)F ZINC001255580289 1315843075 /nfs/dbraw/zinc/84/30/75/1315843075.db2.gz OYPGSGIWFQPKMT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC001255869649 1315874522 /nfs/dbraw/zinc/87/45/22/1315874522.db2.gz RFAVCHBNUCUJGN-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc(F)cc2F)c1C#N ZINC001255998377 1315891106 /nfs/dbraw/zinc/89/11/06/1315891106.db2.gz MBBFPLCCGCJYJA-UHFFFAOYSA-N -1 0 341.339 2.923 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256077514 1315900838 /nfs/dbraw/zinc/90/08/38/1315900838.db2.gz NWCIKOQXDGRYQR-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccccc2Cl)c(C#N)cc1C#N ZINC001256253974 1315924060 /nfs/dbraw/zinc/92/40/60/1315924060.db2.gz WPCWHLIUIPWMKS-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C#N ZINC001256312332 1315927992 /nfs/dbraw/zinc/92/79/92/1315927992.db2.gz XEXAYHCIKLHURG-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001256441342 1315941295 /nfs/dbraw/zinc/94/12/95/1315941295.db2.gz QVPUHYURCSROMB-INIZCTEOSA-N -1 0 341.367 2.811 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cccc(-c2nccc(C)n2)c1)C(=O)[O-] ZINC001256440197 1315941324 /nfs/dbraw/zinc/94/13/24/1315941324.db2.gz CNKRFYYAOJBAEQ-AWEZNQCLSA-N -1 0 326.356 2.603 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Cl)c(OCCC)c(OC)c1)C(=O)[O-] ZINC001256551423 1315955421 /nfs/dbraw/zinc/95/54/21/1315955421.db2.gz RWIAJBPTYRHRSJ-GFCCVEGCSA-N -1 0 341.791 2.897 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C#N)cc1OC ZINC001257090158 1316032130 /nfs/dbraw/zinc/03/21/30/1316032130.db2.gz WYBAMRNRDDGDKN-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)cc1OC ZINC001257109795 1316035400 /nfs/dbraw/zinc/03/54/00/1316035400.db2.gz HHPMGTNXXZGVKM-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cn1 ZINC001257338559 1316057157 /nfs/dbraw/zinc/05/71/57/1316057157.db2.gz VFTIRVLYFWAXEX-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)cc1 ZINC001258039581 1316114675 /nfs/dbraw/zinc/11/46/75/1316114675.db2.gz VQQYJOWBANUWBG-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CCCCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccn1 ZINC001258045856 1316114973 /nfs/dbraw/zinc/11/49/73/1316114973.db2.gz ZBSWRCHYIZONLV-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258054177 1316115599 /nfs/dbraw/zinc/11/55/99/1316115599.db2.gz YCMGBTNQAWEOKG-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2OC(F)(F)F)cc1 ZINC001258053973 1316115678 /nfs/dbraw/zinc/11/56/78/1316115678.db2.gz UDISWDCAXGVNSE-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CCOC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258116254 1316119609 /nfs/dbraw/zinc/11/96/09/1316119609.db2.gz GLLWQECNTSFIBC-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258184894 1316128958 /nfs/dbraw/zinc/12/89/58/1316128958.db2.gz CRGUPWGKCJBYQG-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC001258196281 1316130763 /nfs/dbraw/zinc/13/07/63/1316130763.db2.gz DUKLLSTWCMOVMK-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cn1 ZINC001258201918 1316131019 /nfs/dbraw/zinc/13/10/19/1316131019.db2.gz RBFJIVMZWSBMEQ-UHFFFAOYSA-N -1 0 326.381 2.555 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnc(Br)s1 ZINC001258208157 1316131435 /nfs/dbraw/zinc/13/14/35/1316131435.db2.gz KCLNAWQLOLHQGI-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)n(CC2CCC2)n1 ZINC001258208398 1316131495 /nfs/dbraw/zinc/13/14/95/1316131495.db2.gz NQUXZJFDQIVFHQ-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cn2c(cccc2Cl)n1 ZINC001258214917 1316132127 /nfs/dbraw/zinc/13/21/27/1316132127.db2.gz UWCWUKVCODKYRK-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258266783 1316135235 /nfs/dbraw/zinc/13/52/35/1316135235.db2.gz ZLSQXIKKCFPJBS-UHFFFAOYSA-N -1 0 344.392 2.924 20 30 EFEDRM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258273289 1316135941 /nfs/dbraw/zinc/13/59/41/1316135941.db2.gz DDDUHUVULWAPHN-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM CC(=O)n1ccc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc21 ZINC001258282888 1316136270 /nfs/dbraw/zinc/13/62/70/1316136270.db2.gz DMDGICUSXUIDRU-UHFFFAOYSA-N -1 0 339.376 2.974 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)cc2cccnc21 ZINC001258282829 1316136314 /nfs/dbraw/zinc/13/63/14/1316136314.db2.gz AZWJOWMYQXEJGT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCn1ncc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc21 ZINC001258283583 1316136417 /nfs/dbraw/zinc/13/64/17/1316136417.db2.gz ZTFYGTCPRGWJMG-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2ncnc(Cl)c2c1 ZINC001258290312 1316137533 /nfs/dbraw/zinc/13/75/33/1316137533.db2.gz PCBHVXNBCDBXDY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COC(=O)c1cc(C)c(F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258290539 1316137639 /nfs/dbraw/zinc/13/76/39/1316137639.db2.gz VPBMSHZEOURBMM-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([C@@H](C)C#N)cc1 ZINC001258426397 1316150143 /nfs/dbraw/zinc/15/01/43/1316150143.db2.gz SFZWVIYFKVCXDE-VIFPVBQESA-N -1 0 338.820 2.810 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N ZINC001258675406 1316170959 /nfs/dbraw/zinc/17/09/59/1316170959.db2.gz HIKHRMOHNMASEQ-UHFFFAOYSA-N -1 0 325.777 2.926 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1C#N ZINC001258811070 1316180351 /nfs/dbraw/zinc/18/03/51/1316180351.db2.gz UXCCNJVXKLLNAL-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cnc1C#N ZINC001258911697 1316191770 /nfs/dbraw/zinc/19/17/70/1316191770.db2.gz LPDXBAAIVSWDSQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(O)c1 ZINC001258916566 1316192294 /nfs/dbraw/zinc/19/22/94/1316192294.db2.gz NHABLESXBSDHOG-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC001258926532 1316192836 /nfs/dbraw/zinc/19/28/36/1316192836.db2.gz CUSRSDGOVPBLEY-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(OC)c1 ZINC001258958983 1316197192 /nfs/dbraw/zinc/19/71/92/1316197192.db2.gz ZYABWDYCZOGYRM-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c(OC)c1 ZINC001258958494 1316197352 /nfs/dbraw/zinc/19/73/52/1316197352.db2.gz JMLXITUNUOADLS-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C#N ZINC001259040735 1316200976 /nfs/dbraw/zinc/20/09/76/1316200976.db2.gz COMXSEWFWHGJNB-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC001259063506 1316203413 /nfs/dbraw/zinc/20/34/13/1316203413.db2.gz HQLPBBUSEBMKFA-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(C#N)c1 ZINC001259069232 1316204241 /nfs/dbraw/zinc/20/42/41/1316204241.db2.gz QZVRCCDPFGQNQH-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259084883 1316206462 /nfs/dbraw/zinc/20/64/62/1316206462.db2.gz NHZWODJQHANUDB-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C#N ZINC001259085271 1316206953 /nfs/dbraw/zinc/20/69/53/1316206953.db2.gz XTDCKWSQCDEKRQ-UHFFFAOYSA-N -1 0 341.339 2.923 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c(C)c1 ZINC001259096407 1316208674 /nfs/dbraw/zinc/20/86/74/1316208674.db2.gz GKSLMCZBSHQYIU-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM COc1cncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC001259107021 1316210439 /nfs/dbraw/zinc/21/04/39/1316210439.db2.gz YTNALWTYJVEIAC-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259106866 1316210449 /nfs/dbraw/zinc/21/04/49/1316210449.db2.gz PBHANUZZWDFVSI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnc1F ZINC001259107105 1316210640 /nfs/dbraw/zinc/21/06/40/1316210640.db2.gz DOXOFYWJQIRNKI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C#N)c1 ZINC001259107551 1316210690 /nfs/dbraw/zinc/21/06/90/1316210690.db2.gz DKWGEALLSGQGFR-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM COc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107311 1316210713 /nfs/dbraw/zinc/21/07/13/1316210713.db2.gz QDYYJTGZFVGCRI-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c(Cl)c1 ZINC001259112669 1316210995 /nfs/dbraw/zinc/21/09/95/1316210995.db2.gz BNYFTLLRWIVWLZ-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cncc(-c3ccccn3)c2)c1 ZINC001259118459 1316211725 /nfs/dbraw/zinc/21/17/25/1316211725.db2.gz HTIYWKIFSIUSPX-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N ZINC001259118404 1316211803 /nfs/dbraw/zinc/21/18/03/1316211803.db2.gz OEINNOSGMVZHFJ-UHFFFAOYSA-N -1 0 330.369 2.516 20 30 EFEDRM Cc1cc(=O)c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2o1 ZINC001259125395 1316212176 /nfs/dbraw/zinc/21/21/76/1316212176.db2.gz ZENJBVGTBYEUGK-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccc3c(=O)[nH]ccc23)c1 ZINC001259124562 1316212365 /nfs/dbraw/zinc/21/23/65/1316212365.db2.gz UMPCINLHYHASCE-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259152263 1316213510 /nfs/dbraw/zinc/21/35/10/1316213510.db2.gz BFQISHVHIBEIGB-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(O)c1 ZINC001259157781 1316214130 /nfs/dbraw/zinc/21/41/30/1316214130.db2.gz WJNUVPLLZHRBNT-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1 ZINC001259188911 1316217165 /nfs/dbraw/zinc/21/71/65/1316217165.db2.gz AYJWAJHYDHLVOH-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2OC)cc1 ZINC001259204029 1316219818 /nfs/dbraw/zinc/21/98/18/1316219818.db2.gz FOBYSPFMJRGOBO-UHFFFAOYSA-N -1 0 331.393 2.816 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1OC ZINC001259204776 1316219901 /nfs/dbraw/zinc/21/99/01/1316219901.db2.gz QWMIWTMUBIMZGK-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1O ZINC001259205481 1316220091 /nfs/dbraw/zinc/22/00/91/1316220091.db2.gz VJSCBSUJBSYPSW-UHFFFAOYSA-N -1 0 336.344 2.521 20 30 EFEDRM C#CC(CC)(CC)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212737 1316221517 /nfs/dbraw/zinc/22/15/17/1316221517.db2.gz WGBIAFOABGNAET-UHFFFAOYSA-N -1 0 347.795 2.648 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccn1 ZINC001259288013 1316225627 /nfs/dbraw/zinc/22/56/27/1316225627.db2.gz UKPHZXQIVFPCLZ-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccccn2)c1 ZINC001259289996 1316225823 /nfs/dbraw/zinc/22/58/23/1316225823.db2.gz LSXLJTRAKBSETN-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC001259300839 1316227340 /nfs/dbraw/zinc/22/73/40/1316227340.db2.gz AYOCZZDERCSTNJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC001259307165 1316228250 /nfs/dbraw/zinc/22/82/50/1316228250.db2.gz KQCCJMRJWWAEFZ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)s1 ZINC001259361915 1316233242 /nfs/dbraw/zinc/23/32/42/1316233242.db2.gz JRDYBIPUROCNDL-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC001259376990 1316234929 /nfs/dbraw/zinc/23/49/29/1316234929.db2.gz HZIUKHCNNRCGAT-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC001259385568 1316235737 /nfs/dbraw/zinc/23/57/37/1316235737.db2.gz YSTCJWRQFXWILH-UHFFFAOYSA-N -1 0 347.327 2.653 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(O)cc1F ZINC001259397059 1316237360 /nfs/dbraw/zinc/23/73/60/1316237360.db2.gz NNTFJSFRPMNXIG-UHFFFAOYSA-N -1 0 349.368 2.813 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)cc1 ZINC001259407449 1316238978 /nfs/dbraw/zinc/23/89/78/1316238978.db2.gz ZLLUZHFXILLSJU-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)s1 ZINC001259411358 1316239235 /nfs/dbraw/zinc/23/92/35/1316239235.db2.gz SLPBJHVHXQEONA-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417682 1316239644 /nfs/dbraw/zinc/23/96/44/1316239644.db2.gz OJHSQHAZWGKZRJ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C#N ZINC001259419659 1316240381 /nfs/dbraw/zinc/24/03/81/1316240381.db2.gz MLOSKWIHGAGMJU-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418790 1316240444 /nfs/dbraw/zinc/24/04/44/1316240444.db2.gz RSRRVLBKTCQJEE-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1 ZINC001259438742 1316243609 /nfs/dbraw/zinc/24/36/09/1316243609.db2.gz PFJUJOZEBJWWQY-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c(O)c1 ZINC001259446216 1316243913 /nfs/dbraw/zinc/24/39/13/1316243913.db2.gz POJAYXQYLABYMX-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c(C#N)c1 ZINC001259446850 1316244468 /nfs/dbraw/zinc/24/44/68/1316244468.db2.gz VTKACGIIUWJCSM-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259466566 1316246968 /nfs/dbraw/zinc/24/69/68/1316246968.db2.gz MBLROHKBWSFVQV-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccnc2)cccc1C(F)(F)F ZINC001259608133 1316260981 /nfs/dbraw/zinc/26/09/81/1316260981.db2.gz STDWGSKAPAZFQJ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259607291 1316261051 /nfs/dbraw/zinc/26/10/51/1316261051.db2.gz TUMZSUIVAPFKTM-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259613788 1316261942 /nfs/dbraw/zinc/26/19/42/1316261942.db2.gz VYMHTRFXDKLYCD-UHFFFAOYSA-N -1 0 330.413 2.823 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c1 ZINC001259632814 1316264746 /nfs/dbraw/zinc/26/47/46/1316264746.db2.gz OONSFBSNKXMKKR-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c1 ZINC001259632253 1316264817 /nfs/dbraw/zinc/26/48/17/1316264817.db2.gz PSVODPDYLXCKTJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)c1 ZINC001259640556 1316265962 /nfs/dbraw/zinc/26/59/62/1316265962.db2.gz BRPCUTRXZDSDLG-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259754608 1316273268 /nfs/dbraw/zinc/27/32/68/1316273268.db2.gz ULXIFTKLFVMEHT-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761471 1316274590 /nfs/dbraw/zinc/27/45/90/1316274590.db2.gz FJLYNAGVDWZUIW-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774121 1316276547 /nfs/dbraw/zinc/27/65/47/1316276547.db2.gz GFDOQPHKVFRGNE-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259780407 1316277434 /nfs/dbraw/zinc/27/74/34/1316277434.db2.gz AVMPPFGCYYGSRH-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259787203 1316278252 /nfs/dbraw/zinc/27/82/52/1316278252.db2.gz LOJGPVJGMXBESS-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259785862 1316278277 /nfs/dbraw/zinc/27/82/77/1316278277.db2.gz BPFDLHPTZQWINP-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259787532 1316278472 /nfs/dbraw/zinc/27/84/72/1316278472.db2.gz BVSSBSIZAQKZQS-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(C3(C#N)CCCC3)cc2)cn1 ZINC001259826798 1316284388 /nfs/dbraw/zinc/28/43/88/1316284388.db2.gz PTDHAEARELPPEO-UHFFFAOYSA-N -1 0 330.413 2.556 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)cn1 ZINC001259831677 1316284765 /nfs/dbraw/zinc/28/47/65/1316284765.db2.gz IJXDISVYYQPZHN-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C#N ZINC001259851516 1316287175 /nfs/dbraw/zinc/28/71/75/1316287175.db2.gz TUAGOWMBNYZKBM-UHFFFAOYSA-N -1 0 330.365 2.705 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1 ZINC001259900701 1316294823 /nfs/dbraw/zinc/29/48/23/1316294823.db2.gz MBOJKIPTLBFENR-UHFFFAOYSA-N -1 0 341.392 2.689 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cc2)n1 ZINC001259944666 1316300403 /nfs/dbraw/zinc/30/04/03/1316300403.db2.gz KWODOKQHSSECCU-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM O=S(=O)([N-]c1cc(OC(F)(F)F)c(F)cc1F)C(F)F ZINC001259958005 1316301663 /nfs/dbraw/zinc/30/16/63/1316301663.db2.gz NYGGGGGJFRWVQS-UHFFFAOYSA-N -1 0 327.177 2.828 20 30 EFEDRM O=C1c2ccccc2C([N-]S(=O)(=O)C(F)F)=C1c1ccccc1 ZINC001259963380 1316302143 /nfs/dbraw/zinc/30/21/43/1316302143.db2.gz WMWMFIOFOQGUIU-UHFFFAOYSA-N -1 0 335.331 2.893 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259997801 1316304757 /nfs/dbraw/zinc/30/47/57/1316304757.db2.gz RPZGLICFNCSMPN-UHFFFAOYSA-N -1 0 347.377 2.781 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260005696 1316305628 /nfs/dbraw/zinc/30/56/28/1316305628.db2.gz KYQVVTXRUCVEDT-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001260022482 1316307887 /nfs/dbraw/zinc/30/78/87/1316307887.db2.gz YOSYBPZGZIKDGW-UHFFFAOYSA-N -1 0 325.393 2.989 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2csc3nccnc23)cc1 ZINC001260038796 1316309968 /nfs/dbraw/zinc/30/99/68/1316309968.db2.gz YSGIMMMTWKTKLF-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044762 1316310545 /nfs/dbraw/zinc/31/05/45/1316310545.db2.gz LCPBOWJLYCZJSL-UHFFFAOYSA-N -1 0 345.355 2.520 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044749 1316310573 /nfs/dbraw/zinc/31/05/73/1316310573.db2.gz KFWAGNDBJULAHH-UHFFFAOYSA-N -1 0 344.392 2.677 20 30 EFEDRM COc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1[S-] ZINC001260045180 1316310984 /nfs/dbraw/zinc/31/09/84/1316310984.db2.gz FXWFCZYYLMHQPG-UHFFFAOYSA-N -1 0 334.422 2.797 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C#N)c2ccncc12 ZINC001260088209 1316314603 /nfs/dbraw/zinc/31/46/03/1316314603.db2.gz UMOYFAZSAVBSFT-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260196262 1316322530 /nfs/dbraw/zinc/32/25/30/1316322530.db2.gz KOIFZDPLSHITCZ-UHFFFAOYSA-N -1 0 328.727 2.795 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260197720 1316322636 /nfs/dbraw/zinc/32/26/36/1316322636.db2.gz JFWBLDLEMAVQRF-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260197466 1316322642 /nfs/dbraw/zinc/32/26/42/1316322642.db2.gz GYFUDRCELNZGFU-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c(C#N)c1 ZINC001260197117 1316322829 /nfs/dbraw/zinc/32/28/29/1316322829.db2.gz AOGWYJVRXWLYMD-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)cn1 ZINC001260196993 1316322858 /nfs/dbraw/zinc/32/28/58/1316322858.db2.gz VILKPLSFBTZYQK-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CC(C)(C#N)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227598 1316324331 /nfs/dbraw/zinc/32/43/31/1316324331.db2.gz FICYWVZMFSYDLB-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM CCc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228207 1316324804 /nfs/dbraw/zinc/32/48/04/1316324804.db2.gz KRDXGBDMCFLWLK-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)cc1 ZINC001260240084 1316325569 /nfs/dbraw/zinc/32/55/69/1316325569.db2.gz DGGTZUXYBCUXPU-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279976 1316327819 /nfs/dbraw/zinc/32/78/19/1316327819.db2.gz YNAFMZIMVYGHLM-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260348675 1316333147 /nfs/dbraw/zinc/33/31/47/1316333147.db2.gz DOXQFSHVHCTKQH-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C#N)c1C ZINC001260348268 1316333242 /nfs/dbraw/zinc/33/32/42/1316333242.db2.gz FCMLTVTTYPLRBD-UHFFFAOYSA-N -1 0 330.287 2.986 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC001260353184 1316333455 /nfs/dbraw/zinc/33/34/55/1316333455.db2.gz NJEVSTXSTKFGGE-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1C ZINC001260633040 1316351181 /nfs/dbraw/zinc/35/11/81/1316351181.db2.gz GFHNJHIKADRHKW-UHFFFAOYSA-N -1 0 349.412 2.962 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1C ZINC001260639065 1316352031 /nfs/dbraw/zinc/35/20/31/1316352031.db2.gz NXFJIBHXVRNABT-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001260651727 1316354652 /nfs/dbraw/zinc/35/46/52/1316354652.db2.gz KMJOFRRPXZRLAN-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1F ZINC001260661558 1316355910 /nfs/dbraw/zinc/35/59/10/1316355910.db2.gz NRYDOZWAYRTPIM-UHFFFAOYSA-N -1 0 345.355 2.687 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1F ZINC001260663025 1316356353 /nfs/dbraw/zinc/35/63/53/1316356353.db2.gz IASRFODZSNVZEJ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cncc(C#N)c3)ccc2O1 ZINC001260713260 1316361851 /nfs/dbraw/zinc/36/18/51/1316361851.db2.gz YLOMSUWUDODAGG-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM CC[C@@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001260726208 1316362758 /nfs/dbraw/zinc/36/27/58/1316362758.db2.gz MDGOJCHENVSXLQ-SNVBAGLBSA-N -1 0 338.820 2.938 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C#N)cnc1C ZINC001260765792 1316366377 /nfs/dbraw/zinc/36/63/77/1316366377.db2.gz UCNJBWBHESNRGX-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c1 ZINC001260773086 1316367425 /nfs/dbraw/zinc/36/74/25/1316367425.db2.gz PAQIDJJCKAZVPK-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)n1 ZINC001260779271 1316368284 /nfs/dbraw/zinc/36/82/84/1316368284.db2.gz WFAFVWUHJUUBKP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)cc2OC)cn1 ZINC001260779911 1316368523 /nfs/dbraw/zinc/36/85/23/1316368523.db2.gz GSYQWAMTVWLBHR-UHFFFAOYSA-N -1 0 336.800 2.834 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)c1 ZINC001260846410 1316373664 /nfs/dbraw/zinc/37/36/64/1316373664.db2.gz RVDUNUHAGWTGSQ-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CC(C)[C@](C)(C#N)NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260879025 1316375135 /nfs/dbraw/zinc/37/51/35/1316375135.db2.gz VLLOGRNIMLBLRK-LBPRGKRZSA-N -1 0 337.228 2.916 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001260890155 1316375467 /nfs/dbraw/zinc/37/54/67/1316375467.db2.gz ZYIBFAOPXSLBGX-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)cc1Cl ZINC001260973003 1316379575 /nfs/dbraw/zinc/37/95/75/1316379575.db2.gz FHKAFVVRSOPAGP-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1C#N ZINC001260978449 1316380094 /nfs/dbraw/zinc/38/00/94/1316380094.db2.gz FVSBETKVFCGDKF-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C#N)c1 ZINC001260978524 1316380147 /nfs/dbraw/zinc/38/01/47/1316380147.db2.gz JMNUOSQRDYIYMP-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC001261023173 1316385428 /nfs/dbraw/zinc/38/54/28/1316385428.db2.gz YBXCGPWFOZIEDV-UHFFFAOYSA-N -1 0 336.442 2.639 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261072627 1316387959 /nfs/dbraw/zinc/38/79/59/1316387959.db2.gz CBCKDTVFBXOWGS-UHFFFAOYSA-N -1 0 333.756 2.658 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261070875 1316388227 /nfs/dbraw/zinc/38/82/27/1316388227.db2.gz AAEXZFNSWRDKEA-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001261077799 1316388781 /nfs/dbraw/zinc/38/87/81/1316388781.db2.gz KIKRYMJWQBYCIN-UHFFFAOYSA-N -1 0 332.168 2.795 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001261210908 1316396732 /nfs/dbraw/zinc/39/67/32/1316396732.db2.gz CYFKMHOSZIYDLP-UHFFFAOYSA-N -1 0 344.392 2.852 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001261292284 1316402546 /nfs/dbraw/zinc/40/25/46/1316402546.db2.gz ZVUUYTYJODCTHG-IXDOHACOSA-N -1 0 346.427 2.791 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2nccs2)n1 ZINC001263289418 1316528018 /nfs/dbraw/zinc/52/80/18/1316528018.db2.gz FCTUMSZKRUHKTP-ZBJFTSOASA-N -1 0 333.394 2.666 20 30 EFEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc(N)c2ccccc2n1 ZINC001263292826 1316528347 /nfs/dbraw/zinc/52/83/47/1316528347.db2.gz UKTPPOSBMZZRID-ZDUSSCGKSA-N -1 0 347.378 2.959 20 30 EFEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263378464 1316539704 /nfs/dbraw/zinc/53/97/04/1316539704.db2.gz HJGMIPQYMSATNL-ZDUSSCGKSA-N -1 0 336.326 2.905 20 30 EFEDRM C=CCCS(=O)(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001319197843 1328804327 /nfs/dbraw/zinc/80/43/27/1328804327.db2.gz ZEGZWOOJMIWUKU-UHFFFAOYSA-N -1 0 341.458 2.515 20 30 EFEDRM COC(=O)c1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001319382361 1328867956 /nfs/dbraw/zinc/86/79/56/1328867956.db2.gz ZEPLLEUWBYXKPG-ALCCZGGFSA-N -1 0 327.292 2.983 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCCN2Cc2cccnc2)c1 ZINC001319527847 1328909304 /nfs/dbraw/zinc/90/93/04/1328909304.db2.gz ZZFFDUWQQZTUDJ-QGZVFWFLSA-N -1 0 336.395 2.652 20 30 EFEDRM COc1nc(Cl)c(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1C ZINC001319622296 1328932395 /nfs/dbraw/zinc/93/23/95/1328932395.db2.gz AKFQCYDYKHZQNB-XQRVVYSFSA-N -1 0 337.719 2.592 20 30 EFEDRM C#CCCCNC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001320999474 1329329748 /nfs/dbraw/zinc/32/97/48/1329329748.db2.gz MQVDEFYEHRWYQE-UHFFFAOYSA-N -1 0 332.429 2.732 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC001321112741 1329344730 /nfs/dbraw/zinc/34/47/30/1329344730.db2.gz ZMENFBLFPDCTEQ-PWSUYJOCSA-N -1 0 336.392 2.507 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC001321112743 1329344741 /nfs/dbraw/zinc/34/47/41/1329344741.db2.gz ZMENFBLFPDCTEQ-ZYHUDNBSSA-N -1 0 336.392 2.507 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC001321268331 1329365664 /nfs/dbraw/zinc/36/56/64/1329365664.db2.gz PWIMIWIXVSNEES-CQSZACIVSA-N -1 0 335.791 2.692 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(OCC2CCOCC2)cc1)C(=O)[O-] ZINC001321276446 1329366653 /nfs/dbraw/zinc/36/66/53/1329366653.db2.gz IOBFYKNBHDWSCS-INIZCTEOSA-N -1 0 348.399 2.643 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001321338508 1329374908 /nfs/dbraw/zinc/37/49/08/1329374908.db2.gz IIOARGRPEQZNPB-CYBMUJFWSA-N -1 0 334.372 2.793 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCOc1ccc2ccccc2c1)C(=O)[O-] ZINC001321582206 1329396766 /nfs/dbraw/zinc/39/67/66/1329396766.db2.gz DVGOWPCYJRAGHL-MRXNPFEDSA-N -1 0 328.368 2.547 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)[O-] ZINC001321581916 1329396862 /nfs/dbraw/zinc/39/68/62/1329396862.db2.gz BYTFZQZFYZPODF-ZDUSSCGKSA-N -1 0 339.342 2.716 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001321657410 1329401595 /nfs/dbraw/zinc/40/15/95/1329401595.db2.gz GVSTTWUWVSGASN-IRXDYDNUSA-N -1 0 325.364 2.952 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC001321657401 1329401643 /nfs/dbraw/zinc/40/16/43/1329401643.db2.gz GTEHJONTIDWYLP-KBPBESRZSA-N -1 0 325.792 2.889 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC001321657404 1329401741 /nfs/dbraw/zinc/40/17/41/1329401741.db2.gz GTEHJONTIDWYLP-ZIAGYGMSSA-N -1 0 325.792 2.889 20 30 EFEDRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2C#N)C1(C)C ZINC001321707329 1329404277 /nfs/dbraw/zinc/40/42/77/1329404277.db2.gz ZPKJLSPADPDKBW-DZGCQCFKSA-N -1 0 332.425 2.602 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)s1 ZINC001317797788 1328386314 /nfs/dbraw/zinc/38/63/14/1328386314.db2.gz JXSIYIFWSJINBF-UTCJRWHESA-N -1 0 325.349 2.923 20 30 EFEDRM CC(=NNC(=S)NC(C)C)c1cc(Br)c(F)cc1[O-] ZINC001322806854 1329489566 /nfs/dbraw/zinc/48/95/66/1329489566.db2.gz XLURDAGSCXTWNQ-UHFFFAOYSA-N -1 0 348.241 2.890 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC001323173865 1329520310 /nfs/dbraw/zinc/52/03/10/1329520310.db2.gz DRKGDZLJTPIRPW-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3cnc(Cl)cc3C#N)cc2o1 ZINC001324000500 1329590306 /nfs/dbraw/zinc/59/03/06/1329590306.db2.gz IFFYGKCQOVIXFJ-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(C3CCCCC3)c2)CC1 ZINC001324194113 1329607171 /nfs/dbraw/zinc/60/71/71/1329607171.db2.gz ZXVPPVFRKMHLQY-UHFFFAOYSA-N -1 0 337.445 2.557 20 30 EFEDRM Nc1cnnc(N=NCc2cccc(C(=O)[O-])c2Cl)c1Cl ZINC001324475909 1329631385 /nfs/dbraw/zinc/63/13/85/1329631385.db2.gz PMPZDEDSPGPTGD-UHFFFAOYSA-N -1 0 326.143 2.510 20 30 EFEDRM CC(N=Nc1nncc(N)c1Cl)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001324924931 1329659668 /nfs/dbraw/zinc/65/96/68/1329659668.db2.gz HXMRGXRPSPSWKC-BDAKNGLRSA-N -1 0 325.800 2.637 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001325143702 1329673166 /nfs/dbraw/zinc/67/31/66/1329673166.db2.gz MGONOPMYGXPORD-ZDUSSCGKSA-N -1 0 334.372 2.793 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001325143701 1329673169 /nfs/dbraw/zinc/67/31/69/1329673169.db2.gz MGONOPMYGXPORD-CYBMUJFWSA-N -1 0 334.372 2.793 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)C(=O)[O-] ZINC001325144605 1329673343 /nfs/dbraw/zinc/67/33/43/1329673343.db2.gz SBYUBLCNZUYYPF-CYBMUJFWSA-N -1 0 329.377 2.738 20 30 EFEDRM C=CC[C@H](NC(=O)C(CC)(CC)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001325182342 1329674325 /nfs/dbraw/zinc/67/43/25/1329674325.db2.gz RCGNTKBLZRZGNO-AWEZNQCLSA-N -1 0 349.427 2.907 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001326931652 1330385844 /nfs/dbraw/zinc/38/58/44/1330385844.db2.gz SJGXWZCOENCKCZ-OAHLLOKOSA-N -1 0 334.416 2.691 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001327013292 1330398997 /nfs/dbraw/zinc/39/89/97/1330398997.db2.gz JMMOKUBTFKJVAC-CQSZACIVSA-N -1 0 328.368 2.728 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnc(OCC(C)C)c(Cl)c1)C(=O)[O-] ZINC001327012413 1330399040 /nfs/dbraw/zinc/39/90/40/1330399040.db2.gz BXYCEYFUAUFXBN-LBPRGKRZSA-N -1 0 326.780 2.529 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(COc2ccccc2OC)o1)C(=O)[O-] ZINC001327014043 1330399553 /nfs/dbraw/zinc/39/95/53/1330399553.db2.gz REMCTOZUHFSKTG-ZDUSSCGKSA-N -1 0 345.351 2.626 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001327014387 1330399737 /nfs/dbraw/zinc/39/97/37/1330399737.db2.gz SZGHJZRLBXVOTN-KRWDZBQOSA-N -1 0 337.375 2.985 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC001327014653 1330399808 /nfs/dbraw/zinc/39/98/08/1330399808.db2.gz YVERHKMLVCITLA-CQSZACIVSA-N -1 0 336.363 2.569 20 30 EFEDRM C#C[C@H](CC)NC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001328608879 1330608099 /nfs/dbraw/zinc/60/80/99/1330608099.db2.gz ZBPXRYZSDRWGPF-LLVKDONJSA-N -1 0 332.429 2.730 20 30 EFEDRM Cc1nn(CCO)c(C)c1C=NNc1nc2ccccc2[nH]c1=S ZINC001329190261 1330678677 /nfs/dbraw/zinc/67/86/77/1330678677.db2.gz DWBBFQBKGWQRAV-UHFFFAOYSA-N -1 0 342.428 2.544 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2cccs2)s1 ZINC001330000150 1330760686 /nfs/dbraw/zinc/76/06/86/1330760686.db2.gz PJEUOIDQWLDKDO-UHFFFAOYSA-N -1 0 325.436 2.560 20 30 EFEDRM C=CC[C@H](NCc1cc(Br)cc(F)c1[O-])C(=O)OCC ZINC001333712902 1331199386 /nfs/dbraw/zinc/19/93/86/1331199386.db2.gz FFHHOWWVDGCAPR-LBPRGKRZSA-N -1 0 346.196 2.891 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NN[C@@H]1CCCSC1 ZINC001337006172 1331526457 /nfs/dbraw/zinc/52/64/57/1331526457.db2.gz DZUWIIHJUVVJIX-OAHLLOKOSA-N -1 0 336.457 2.944 20 30 EFEDRM N#Cc1cc(Cl)nc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC001337992122 1331629546 /nfs/dbraw/zinc/62/95/46/1331629546.db2.gz LVTGPJZMGTZDFY-VIFPVBQESA-N -1 0 346.740 2.502 20 30 EFEDRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C ZINC001338037371 1331639401 /nfs/dbraw/zinc/63/94/01/1331639401.db2.gz LZRDEOURAXVFSA-AWEZNQCLSA-N -1 0 332.372 2.580 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001339453921 1331871392 /nfs/dbraw/zinc/87/13/92/1331871392.db2.gz DZFBDVPWMGWGJH-ZDUSSCGKSA-N -1 0 338.415 2.730 20 30 EFEDRM CN(c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C)[C@@H]1CCc2ccccc21 ZINC001339551813 1331896180 /nfs/dbraw/zinc/89/61/80/1331896180.db2.gz HEHPKGGVKOLKCD-MRXNPFEDSA-N -1 0 346.394 2.578 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC(=C)CC1 ZINC001339656085 1331922587 /nfs/dbraw/zinc/92/25/87/1331922587.db2.gz FAWYMESWIUGWHY-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C[C@@H]1CC1(C)C ZINC001340206734 1332153989 /nfs/dbraw/zinc/15/39/89/1332153989.db2.gz AIVHRLPMQOKBDB-LBPRGKRZSA-N -1 0 330.436 2.535 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H](CC)C1 ZINC001340207532 1332154095 /nfs/dbraw/zinc/15/40/95/1332154095.db2.gz SVAGHMPRKBLQTA-ZDUSSCGKSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CCC)CC1CC1 ZINC001340207243 1332154178 /nfs/dbraw/zinc/15/41/78/1332154178.db2.gz NUZHUVBJSALZMT-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1 ZINC001340962429 1332223137 /nfs/dbraw/zinc/22/31/37/1332223137.db2.gz UYBDNIHEUUVAKL-UHFFFAOYSA-N -1 0 348.387 2.973 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)Cc1ccsc1 ZINC001340993385 1332225474 /nfs/dbraw/zinc/22/54/74/1332225474.db2.gz OIOORSIMZIHGST-UHFFFAOYSA-N -1 0 340.412 2.635 20 30 EFEDRM C=CCNS(=O)(=O)c1cc(-c2nnc(CC(C)C)o2)ccc1F ZINC001341566157 1332268670 /nfs/dbraw/zinc/26/86/70/1332268670.db2.gz BXVQJOPFHBEVGS-UHFFFAOYSA-N -1 0 339.392 2.539 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1CC(C)C ZINC001341803256 1332285390 /nfs/dbraw/zinc/28/53/90/1332285390.db2.gz SDZFBBBUHKKZSP-CQSZACIVSA-N -1 0 348.410 2.863 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(C2CC2)nn1 ZINC001341924997 1332288415 /nfs/dbraw/zinc/28/84/15/1332288415.db2.gz OXSPXHYLZHFQFE-CQSZACIVSA-N -1 0 347.378 2.537 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001342027300 1332296555 /nfs/dbraw/zinc/29/65/55/1332296555.db2.gz XJJQYWMCOZCQBB-CQSZACIVSA-N -1 0 342.447 2.680 20 30 EFEDRM Cn1c(C=NNCCC(C)(C)C)c(Br)cc1C(=O)[O-] ZINC001342153535 1332310874 /nfs/dbraw/zinc/31/08/74/1332310874.db2.gz HTDIYWPLJWOOFG-UHFFFAOYSA-N -1 0 330.226 2.846 20 30 EFEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nccn3C)cc2s1 ZINC001342167034 1332312322 /nfs/dbraw/zinc/31/23/22/1332312322.db2.gz SKSOLJTZEZMXPW-QMMMGPOBSA-N -1 0 331.426 2.647 20 30 EFEDRM C=C(C)Cn1c(-c2cc(Cl)ncc2O)nnc1N1CCCOCC1 ZINC001342189472 1332315317 /nfs/dbraw/zinc/31/53/17/1332315317.db2.gz VSCJEUUZIYIJDZ-UHFFFAOYSA-N -1 0 349.822 2.502 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N(C)CC1CC1 ZINC001342197807 1332316171 /nfs/dbraw/zinc/31/61/71/1332316171.db2.gz MLOPWYFWUAQCNY-UHFFFAOYSA-N -1 0 329.360 2.591 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001342249382 1332324202 /nfs/dbraw/zinc/32/42/02/1332324202.db2.gz ZGVSCRWMGBFTHJ-KGLIPLIRSA-N -1 0 344.463 2.926 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001342249384 1332324349 /nfs/dbraw/zinc/32/43/49/1332324349.db2.gz ZGVSCRWMGBFTHJ-UONOGXRCSA-N -1 0 344.463 2.926 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1 ZINC001343348592 1332346607 /nfs/dbraw/zinc/34/66/07/1332346607.db2.gz RVANRYBXTKAVGO-LLVKDONJSA-N -1 0 340.221 2.796 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001343509524 1332352432 /nfs/dbraw/zinc/35/24/32/1332352432.db2.gz PBLDJBPLYRRCEX-STQMWFEESA-N -1 0 338.415 2.728 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccc(C)cc3S2)CC1 ZINC001343535656 1332354387 /nfs/dbraw/zinc/35/43/87/1332354387.db2.gz WOWNNWXXGAVSGL-AWEZNQCLSA-N -1 0 337.466 2.567 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001343586449 1332360168 /nfs/dbraw/zinc/36/01/68/1332360168.db2.gz ZHXJTAHPKGBMQF-MRXNPFEDSA-N -1 0 330.409 2.555 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)CCC ZINC001343598899 1332361400 /nfs/dbraw/zinc/36/14/00/1332361400.db2.gz GSUSRBRVLWFALJ-UHFFFAOYSA-N -1 0 326.404 2.730 20 30 EFEDRM C[C@@H](NN=Cc1c(Br)cc(C(=O)[O-])n1C)C(C)(C)C ZINC001343774122 1332378954 /nfs/dbraw/zinc/37/89/54/1332378954.db2.gz PXCJCXFWIYRSIJ-MRVPVSSYSA-N -1 0 330.226 2.844 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)on1 ZINC001343982113 1332395255 /nfs/dbraw/zinc/39/52/55/1332395255.db2.gz DYBWAGVVUHTNNS-NSHDSACASA-N -1 0 329.743 2.620 20 30 EFEDRM N#CC(=C([O-])c1scnc1Cl)c1nc(N)c2ccccc2n1 ZINC001343990530 1332395892 /nfs/dbraw/zinc/39/58/92/1332395892.db2.gz LQRHRSMFWSWPCW-QMMMGPOBSA-N -1 0 329.772 2.812 20 30 EFEDRM N#CC(=C([O-])c1scnc1Cl)c1nc(N)c2ccccc2n1 ZINC001343990524 1332396001 /nfs/dbraw/zinc/39/60/01/1332396001.db2.gz LQRHRSMFWSWPCW-MRVPVSSYSA-N -1 0 329.772 2.812 20 30 EFEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3cccc(F)n3)nn2)c1 ZINC001344034700 1332398852 /nfs/dbraw/zinc/39/88/52/1332398852.db2.gz HUZWCAZUJZGFKF-ZDUSSCGKSA-N -1 0 339.305 2.739 20 30 EFEDRM CC[C@@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001344572925 1332464008 /nfs/dbraw/zinc/46/40/08/1332464008.db2.gz ZBGSZVFQDVRGAB-GDBMZVCRSA-N -1 0 338.411 2.801 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cnc(C2CC2)o1 ZINC001345837775 1332577279 /nfs/dbraw/zinc/57/72/79/1332577279.db2.gz HREPURLVSUGXSF-ZDUSSCGKSA-N -1 0 343.770 2.844 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccnc1OC)c1ccccc1 ZINC001345871538 1332580105 /nfs/dbraw/zinc/58/01/05/1332580105.db2.gz DQQIVPBKBRXOLX-HOTGVXAUSA-N -1 0 337.379 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2cc(=O)[nH]c(C)n2)nnc1N(C)[C@H](C)C1CC1 ZINC001345973103 1332589132 /nfs/dbraw/zinc/58/91/32/1332589132.db2.gz FGTLSXLEKKYAPY-LLVKDONJSA-N -1 0 328.420 2.560 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC001346054180 1332594799 /nfs/dbraw/zinc/59/47/99/1332594799.db2.gz NRZPEEXNUVNQQF-SECBINFHSA-N -1 0 346.726 2.681 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1C(C)C ZINC001346054874 1332594814 /nfs/dbraw/zinc/59/48/14/1332594814.db2.gz SDLOYWKWMGDYNT-ZDUSSCGKSA-N -1 0 334.383 2.788 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC001346097441 1332598777 /nfs/dbraw/zinc/59/87/77/1332598777.db2.gz DWWBLMQKXAXRAF-LBPRGKRZSA-N -1 0 337.217 2.913 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1Cl ZINC001346199445 1332610446 /nfs/dbraw/zinc/61/04/46/1332610446.db2.gz WOMKIGFCSUBITA-GFCCVEGCSA-N -1 0 337.807 2.763 20 30 EFEDRM C=CC[C@@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001348480494 1332841845 /nfs/dbraw/zinc/84/18/45/1332841845.db2.gz IFYJLPZWMQOOHH-TYBABMIJSA-N -1 0 329.274 2.744 20 30 EFEDRM C=CC[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001350769609 1333129553 /nfs/dbraw/zinc/12/95/53/1333129553.db2.gz UUCHSJJJXZUHEH-NEPJUHHUSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@](C)(CC)C1 ZINC001351544286 1333247782 /nfs/dbraw/zinc/24/77/82/1333247782.db2.gz NZHPPICIZBCHFU-KRWDZBQOSA-N -1 0 330.436 2.680 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCc2c1cccc2C ZINC001352440138 1333538631 /nfs/dbraw/zinc/53/86/31/1333538631.db2.gz NEBJOYZDFIOZME-UHFFFAOYSA-N -1 0 346.394 2.940 20 30 EFEDRM C=C1CCN(c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)n2CC)CC1 ZINC001352927603 1333808966 /nfs/dbraw/zinc/80/89/66/1333808966.db2.gz XCOGYYGLCLCGGH-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccc(C#N)cc2)s1 ZINC000847618275 1334008229 /nfs/dbraw/zinc/00/82/29/1334008229.db2.gz KAJLJASPGXTHLC-NSHDSACASA-N -1 0 348.449 2.612 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000847643427 1334059505 /nfs/dbraw/zinc/05/95/05/1334059505.db2.gz AKSCXSJEZQWTSB-ZIAGYGMSSA-N -1 0 336.457 2.619 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c1F ZINC001200667323 1334303930 /nfs/dbraw/zinc/30/39/30/1334303930.db2.gz IZGZOLCEIFVVPN-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000848640833 1334821767 /nfs/dbraw/zinc/82/17/67/1334821767.db2.gz VJYOFXICRZFTSJ-XEHSLEBBSA-N -1 0 340.379 2.967 20 30 EFEDRM C=CCn1c(-c2c[nH][nH]c2=O)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001355998289 1334927545 /nfs/dbraw/zinc/92/75/45/1334927545.db2.gz UXEQPPVHJGYVIL-CYBMUJFWSA-N -1 0 328.420 2.576 20 30 EFEDRM CC(=Cc1ccco1)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000848837525 1334928571 /nfs/dbraw/zinc/92/85/71/1334928571.db2.gz WMHTVFJQUQJTCA-PPOCWRSBSA-N -1 0 330.365 2.868 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000848951252 1335005684 /nfs/dbraw/zinc/00/56/84/1335005684.db2.gz XTCZGXZNVDWPGK-HWPZZCPQSA-N -1 0 338.791 2.645 20 30 EFEDRM CCCc1ccc([C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C(C)C)cc1 ZINC001413888646 1335065267 /nfs/dbraw/zinc/06/52/67/1335065267.db2.gz YCRNCAVFTPTXOC-INIZCTEOSA-N -1 0 340.427 2.707 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)NCCCCC(=O)[O-])CC2)cc1 ZINC001357173170 1335288565 /nfs/dbraw/zinc/28/85/65/1335288565.db2.gz NTHPXWDQQQUZHF-UHFFFAOYSA-N -1 0 329.400 2.702 20 30 EFEDRM CCOC(=O)C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000849170422 1335563016 /nfs/dbraw/zinc/56/30/16/1335563016.db2.gz OWVRLWLTIKPRPU-MIUNIBSDSA-N -1 0 334.250 2.603 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000849245225 1335576585 /nfs/dbraw/zinc/57/65/85/1335576585.db2.gz FYQBWXIHVHJNQY-QDZRJHCZSA-N -1 0 326.352 2.577 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CF)cc2)n1 ZINC000849861745 1335783154 /nfs/dbraw/zinc/78/31/54/1335783154.db2.gz NWEBUPPVZHSKJG-CYBMUJFWSA-N -1 0 332.356 2.954 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC000150218117 1335944170 /nfs/dbraw/zinc/94/41/70/1335944170.db2.gz RXYFXNMOROOKDD-SNVBAGLBSA-N -1 0 329.194 2.591 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC000150217921 1335944364 /nfs/dbraw/zinc/94/43/64/1335944364.db2.gz RXYFXNMOROOKDD-JTQLQIEISA-N -1 0 329.194 2.591 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@](C)(C#N)C3)n2)c1 ZINC001362207139 1336553556 /nfs/dbraw/zinc/55/35/56/1336553556.db2.gz SKKBCWWWXMPSOR-GOSISDBHSA-N -1 0 342.374 2.791 20 30 EFEDRM CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(Cl)cc1F ZINC001362611261 1336673300 /nfs/dbraw/zinc/67/33/00/1336673300.db2.gz GKVUGEWKQPBJPG-UHFFFAOYSA-N -1 0 331.738 2.862 20 30 EFEDRM CCC(=O)N1CCc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc21 ZINC001363666074 1336982940 /nfs/dbraw/zinc/98/29/40/1336982940.db2.gz ICGSADMYCRRJDN-UHFFFAOYSA-N -1 0 335.363 2.815 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccccc1[O-] ZINC001414287650 1370174929 /nfs/dbraw/zinc/17/49/29/1370174929.db2.gz BFGHUJVEMUUAEK-HNNXBMFYSA-N -1 0 328.393 2.620 20 30 EFEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2ccc(C#N)nn2)c1 ZINC001458379795 1395456806 /nfs/dbraw/zinc/45/68/06/1395456806.db2.gz ALFGPXGXVYPTRG-UHFFFAOYSA-N -1 0 335.289 2.579 20 30 EFEDRM Cn1c(=O)[n-]c(Nc2ccc(SC(C)(C)C)c(F)c2)c(C#N)c1=O ZINC001458391898 1395459373 /nfs/dbraw/zinc/45/93/73/1395459373.db2.gz LNOZQLPZDKQJCX-UHFFFAOYSA-N -1 0 348.403 2.719 20 30 EFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(F)c(C#N)c1 ZINC001460309677 1396022484 /nfs/dbraw/zinc/02/24/84/1396022484.db2.gz GFKYQINFKLEDCR-HZMBPMFUSA-N -1 0 343.324 2.729 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccccc3F)nc2)[n-]c1C#N ZINC001469565862 1397038416 /nfs/dbraw/zinc/03/84/16/1397038416.db2.gz FWJHDXVZYDWVBX-UHFFFAOYSA-N -1 0 348.297 2.732 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1Br ZINC001548515854 1404534359 /nfs/dbraw/zinc/53/43/59/1404534359.db2.gz SCEGBTZICLCRJF-SNVBAGLBSA-N -1 0 348.204 2.528 20 30 EFEDRM C=C(C)[C@H]1CC=C(COC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000819722810 1425718918 /nfs/dbraw/zinc/71/89/18/1425718918.db2.gz RGBXSDBUWZLRAW-ZDUSSCGKSA-N -1 0 327.388 2.665 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)cnc12 ZINC000826308326 1426259397 /nfs/dbraw/zinc/25/93/97/1426259397.db2.gz UQESKCNYORTOLW-ALCCZGGFSA-N -1 0 348.341 2.858 20 30 EFEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCc3ccccc3C2)n1 ZINC000826350375 1426962150 /nfs/dbraw/zinc/96/21/50/1426962150.db2.gz STVCQZXOOUZGLE-UHFFFAOYSA-N -1 0 339.790 2.872 20 30 EFEDRM CC(C)Oc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735915203 1427299563 /nfs/dbraw/zinc/29/95/63/1427299563.db2.gz LNTGLJGZZDATGI-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cnc3ccsc3c2)o1 ZINC000735450884 1427349809 /nfs/dbraw/zinc/34/98/09/1427349809.db2.gz IITRTUDKTAOEQS-UHFFFAOYSA-N -1 0 340.372 2.609 20 30 EFEDRM CCn1c(C)cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1C ZINC000736720528 1428189878 /nfs/dbraw/zinc/18/98/78/1428189878.db2.gz SZUKEWWCRMGUFQ-UHFFFAOYSA-N -1 0 342.407 2.862 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826379809 1428402872 /nfs/dbraw/zinc/40/28/72/1428402872.db2.gz CGUSBWWRIIDZDA-AWEZNQCLSA-N -1 0 344.806 2.722 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC001601052106 1413276250 /nfs/dbraw/zinc/27/62/50/1413276250.db2.gz KEYLUPFBRDOQIW-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM C=C1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000823882856 1428750426 /nfs/dbraw/zinc/75/04/26/1428750426.db2.gz FBKQQVIEHFINIW-UHFFFAOYSA-N -1 0 335.415 2.513 20 30 EFEDRM CCn1cc([C@H]2OCC[C@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552449156 1414456296 /nfs/dbraw/zinc/45/62/96/1414456296.db2.gz YLGXZQQAIUHNLC-BBRMVZONSA-N -1 0 328.372 2.777 20 30 EFEDRM Cc1c(N=NC[C@@H]2CCCO[C@@H]2c2cnn(C)c2)cccc1C(=O)[O-] ZINC001552453413 1414456913 /nfs/dbraw/zinc/45/69/13/1414456913.db2.gz LMYYQSIUXDFBHP-GUYCJALGSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552453831 1414457493 /nfs/dbraw/zinc/45/74/93/1414457493.db2.gz NAJOUDKKNPCCKQ-KDOFPFPSSA-N -1 0 342.399 2.613 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccnc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826191005 1428843106 /nfs/dbraw/zinc/84/31/06/1428843106.db2.gz UHEVPOMNVQJTNI-RQOWECAXSA-N -1 0 341.758 2.820 20 30 EFEDRM Cc1ccnc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309980 1428899750 /nfs/dbraw/zinc/89/97/50/1428899750.db2.gz HZJPVDRIYWBSAY-JKSUJKDBSA-N -1 0 345.410 2.846 20 30 EFEDRM N#Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1-c1nn[n-]n1 ZINC000737716116 1428922510 /nfs/dbraw/zinc/92/25/10/1428922510.db2.gz LIVXYWQNDKSVGD-UHFFFAOYSA-N -1 0 348.410 2.749 20 30 EFEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1cccnc1 ZINC000819743882 1429137633 /nfs/dbraw/zinc/13/76/33/1429137633.db2.gz SAASMWAGDHRWSJ-CQSZACIVSA-N -1 0 348.410 2.580 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000159731349 1418286242 /nfs/dbraw/zinc/28/62/42/1418286242.db2.gz LEPKNLYGLDVKGI-GFCCVEGCSA-N -1 0 331.199 2.864 20 30 EFEDRM O=[N+]([O-])c1cccc(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000823647240 1429306208 /nfs/dbraw/zinc/30/62/08/1429306208.db2.gz IQZYRAGXXGUYCI-UHFFFAOYSA-N -1 0 349.354 2.927 20 30 EFEDRM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735408012 1429469090 /nfs/dbraw/zinc/46/90/90/1429469090.db2.gz DZAHUXHGFHJHHM-UHFFFAOYSA-N -1 0 328.420 2.755 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(C)o1 ZINC000819745956 1429487575 /nfs/dbraw/zinc/48/75/75/1429487575.db2.gz WOCJAHRCKKJHMA-UHFFFAOYSA-N -1 0 337.383 2.905 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000821849305 1429493081 /nfs/dbraw/zinc/49/30/81/1429493081.db2.gz CPJKNRWJLABACJ-RMKNXTFCSA-N -1 0 340.364 2.596 20 30 EFEDRM C=CCc1cc(-c2nc3ccc(-c4nn[n-]n4)cc3[nH]2)cc(OC)c1O ZINC000823937340 1423230368 /nfs/dbraw/zinc/23/03/68/1423230368.db2.gz SRIUAMRJBDDAQK-UHFFFAOYSA-N -1 0 348.366 2.853 20 30 EFEDRM COc1ccccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826218619 1423430599 /nfs/dbraw/zinc/43/05/99/1423430599.db2.gz HMTYJCZSIAIJCF-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000826190926 1423446360 /nfs/dbraw/zinc/44/63/60/1423446360.db2.gz RALPLKNFDZMCCR-GORDUTHDSA-N -1 0 341.758 2.820 20 30 EFEDRM CC(C)Cc1ncc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820108926 1423549277 /nfs/dbraw/zinc/54/92/77/1423549277.db2.gz VKGWCSXMPRIUSB-UHFFFAOYSA-N -1 0 327.417 2.968 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000826190478 1429655630 /nfs/dbraw/zinc/65/56/30/1429655630.db2.gz COJRDVCGNFLMEA-UTCJRWHESA-N -1 0 349.325 2.782 20 30 EFEDRM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C#N)CC1 ZINC000822204075 1423766549 /nfs/dbraw/zinc/76/65/49/1423766549.db2.gz CHPWAGPCUYHNBM-UHFFFAOYSA-N -1 0 337.362 2.602 20 30 EFEDRM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nnn[n-]2)c1 ZINC000116975209 1423782434 /nfs/dbraw/zinc/78/24/34/1423782434.db2.gz CVISYIVEOMBWRV-UHFFFAOYSA-N -1 0 340.730 2.769 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)nc2)o1 ZINC000819965441 1423876355 /nfs/dbraw/zinc/87/63/55/1423876355.db2.gz HBWVGAHDJIASSF-UHFFFAOYSA-N -1 0 346.782 2.647 20 30 EFEDRM Cc1cccc(C)c1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737389873 1424181539 /nfs/dbraw/zinc/18/15/39/1424181539.db2.gz MVHOOBBAZYRUBA-UHFFFAOYSA-N -1 0 337.412 2.625 20 30 EFEDRM CCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000825649690 1424365434 /nfs/dbraw/zinc/36/54/34/1424365434.db2.gz VFVRATZKOIMRNW-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826187454 1424413097 /nfs/dbraw/zinc/41/30/97/1424413097.db2.gz QVBMPMKMCMONEC-VQHVLOKHSA-N -1 0 336.351 2.780 20 30 EFEDRM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000821787362 1424457830 /nfs/dbraw/zinc/45/78/30/1424457830.db2.gz RWHMCTKBHUMOGP-UHFFFAOYSA-N -1 0 342.790 2.652 20 30 EFEDRM COc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821850015 1424467178 /nfs/dbraw/zinc/46/71/78/1424467178.db2.gz VBZHLURFAXKTFG-UHFFFAOYSA-N -1 0 348.410 2.706 20 30 EFEDRM C=CCC[C@@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccccc1 ZINC000194318344 1424547725 /nfs/dbraw/zinc/54/77/25/1424547725.db2.gz WBJGIARMLQFQQG-QGZVFWFLSA-N -1 0 349.394 2.644 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)n21 ZINC000822341093 1424575339 /nfs/dbraw/zinc/57/53/39/1424575339.db2.gz UMLDKMJHIMNVPG-CMDGGOBGSA-N -1 0 330.351 2.719 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CC3)s2)o1 ZINC000820203404 1429742026 /nfs/dbraw/zinc/74/20/26/1429742026.db2.gz UDGHIWVDOJDLRJ-UHFFFAOYSA-N -1 0 344.404 2.758 20 30 EFEDRM C[C@@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000824034723 1424934804 /nfs/dbraw/zinc/93/48/04/1424934804.db2.gz NUVTUAIBNFDWKV-QMMMGPOBSA-N -1 0 345.769 2.803 20 30 EFEDRM N#Cc1cc(NC(=O)C=CSc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737706667 1424968375 /nfs/dbraw/zinc/96/83/75/1424968375.db2.gz XXNSZTMBALZASY-CMDGGOBGSA-N -1 0 348.391 2.983 20 30 EFEDRM Cc1cc(C)n(N=CC[C@H](C)c2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC000826265001 1424992302 /nfs/dbraw/zinc/99/23/02/1424992302.db2.gz ITBXJOCTYRGLKQ-LBPRGKRZSA-N -1 0 336.399 2.673 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C#N)c2n1CCC2 ZINC000737204329 1425061297 /nfs/dbraw/zinc/06/12/97/1425061297.db2.gz ZUWMZVLSEXBKID-BQYQJAHWSA-N -1 0 344.378 2.691 20 30 EFEDRM N#Cc1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1F ZINC000737722958 1425066605 /nfs/dbraw/zinc/06/66/05/1425066605.db2.gz ZSUQAGPFVGBTHH-UHFFFAOYSA-N -1 0 334.314 2.709 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOc2ccccc21 ZINC000819718414 1425236872 /nfs/dbraw/zinc/23/68/72/1425236872.db2.gz GBPDNJTUIMLHEZ-HNNXBMFYSA-N -1 0 334.383 2.508 20 30 EFEDRM Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737471025 1425283899 /nfs/dbraw/zinc/28/38/99/1425283899.db2.gz LTABHBGHZYXESH-JTQLQIEISA-N -1 0 337.412 2.999 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC000822830202 1425293949 /nfs/dbraw/zinc/29/39/49/1425293949.db2.gz WZBQZGAQABYCEW-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM N#CC1(c2ccc(COC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380448 1425298459 /nfs/dbraw/zinc/29/84/59/1425298459.db2.gz ATIPYLQVIOMYHR-UHFFFAOYSA-N -1 0 345.362 2.779 20 30 EFEDRM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nccc(C)c1C#N ZINC000825322696 1425330764 /nfs/dbraw/zinc/33/07/64/1425330764.db2.gz JEUYAYCYTONIOX-UHFFFAOYSA-N -1 0 333.399 2.858 20 30 EFEDRM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820462682 1425374321 /nfs/dbraw/zinc/37/43/21/1425374321.db2.gz ZXJAUFACJHAWQU-SECBINFHSA-N -1 0 325.763 2.960 20 30 EFEDRM Fc1ccc(-n2cc(C=NNc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000737647221 1425375462 /nfs/dbraw/zinc/37/54/62/1425375462.db2.gz CSOOQSVKAYLFTN-UHFFFAOYSA-N -1 0 348.345 2.638 20 30 EFEDRM CN(Cc1cccc(C#N)c1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821613381 1425388842 /nfs/dbraw/zinc/38/88/42/1425388842.db2.gz LCWYRVRCSZGNMK-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C#N)cc1Cl ZINC000821749529 1425408945 /nfs/dbraw/zinc/40/89/45/1425408945.db2.gz QLCJOXVDFGIRGK-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CCC1 ZINC000819743864 1425495260 /nfs/dbraw/zinc/49/52/60/1425495260.db2.gz ROQVORCMUROENL-UHFFFAOYSA-N -1 0 340.431 2.755 20 30 EFEDRM N#Cc1ccccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737727312 1425686989 /nfs/dbraw/zinc/68/69/89/1425686989.db2.gz JFHVOLBJRVLTEJ-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2csc(C3CC3)n2)n1 ZINC000826351108 1425945910 /nfs/dbraw/zinc/94/59/10/1425945910.db2.gz XIXWWYJYSAQFJP-UHFFFAOYSA-N -1 0 346.807 2.695 20 30 EFEDRM C=CCOCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735438091 1425979797 /nfs/dbraw/zinc/97/97/97/1425979797.db2.gz XBNHXOQLNVPIBP-UHFFFAOYSA-N -1 0 341.396 2.736 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826257109 1425989063 /nfs/dbraw/zinc/98/90/63/1425989063.db2.gz NUZQRMHDRZULQP-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM C=CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735431602 1426283700 /nfs/dbraw/zinc/28/37/00/1426283700.db2.gz FQZKHERXOZLCIO-UHFFFAOYSA-N -1 0 339.330 2.714 20 30 EFEDRM N#Cc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826385326 1426289499 /nfs/dbraw/zinc/28/94/99/1426289499.db2.gz HIUQSPXRGFUEOU-UHFFFAOYSA-N -1 0 345.366 2.549 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826384038 1426295595 /nfs/dbraw/zinc/29/55/95/1426295595.db2.gz DEOFJPRFPNRJEH-QHHAFSJGSA-N -1 0 337.289 2.913 20 30 EFEDRM C#CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCC)cc1 ZINC000823856124 1426398427 /nfs/dbraw/zinc/39/84/27/1426398427.db2.gz JWKGKDNVGMHCNI-UHFFFAOYSA-N -1 0 349.394 2.890 20 30 EFEDRM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953722 1426463795 /nfs/dbraw/zinc/46/37/95/1426463795.db2.gz NCTDLEBTTSIKSO-UHFFFAOYSA-N -1 0 346.316 2.798 20 30 EFEDRM Cc1sc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C#N)c1C ZINC000822564133 1426586288 /nfs/dbraw/zinc/58/62/88/1426586288.db2.gz VEWFNRKZHGTIGE-UHFFFAOYSA-N -1 0 338.396 2.598 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826177909 1426596957 /nfs/dbraw/zinc/59/69/57/1426596957.db2.gz APBORAHLCKCTGR-BQYQJAHWSA-N -1 0 335.367 2.783 20 30 EFEDRM N#CCOc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822810919 1426601808 /nfs/dbraw/zinc/60/18/08/1426601808.db2.gz OEFGUFMWRYEPPE-UHFFFAOYSA-N -1 0 342.309 2.659 20 30 EFEDRM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737129899 1426633152 /nfs/dbraw/zinc/63/31/52/1426633152.db2.gz NLCXYXVYSLRKEW-HJWRWDBZSA-N -1 0 349.394 2.828 20 30 EFEDRM C=CCCOCCCCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899349 1426744267 /nfs/dbraw/zinc/74/42/67/1426744267.db2.gz SZXKALDQPUFKSN-UHFFFAOYSA-N -1 0 329.404 2.593 20 30 EFEDRM COc1cccc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821877586 1426778792 /nfs/dbraw/zinc/77/87/92/1426778792.db2.gz MTHJYIOHVUKNKV-WEVVVXLNSA-N -1 0 340.364 2.596 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000825782506 1426876700 /nfs/dbraw/zinc/87/67/00/1426876700.db2.gz FXOLGSVVGCTYEY-UHFFFAOYSA-N -1 0 333.330 2.914 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822271112 1426898680 /nfs/dbraw/zinc/89/86/80/1426898680.db2.gz MXBWYQZSVBIFOP-UHFFFAOYSA-N -1 0 329.345 2.591 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822829781 1426906070 /nfs/dbraw/zinc/90/60/70/1426906070.db2.gz IWXISIUBPFOGGN-PBHICJAKSA-N -1 0 344.378 2.556 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2sccc2C#N)c1-c1nnn[n-]1 ZINC000736679523 1426920323 /nfs/dbraw/zinc/92/03/23/1426920323.db2.gz WLZZMMNUGQEYPF-UHFFFAOYSA-N -1 0 344.425 2.985 20 30 EFEDRM CN(CCC#N)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821598129 1426926958 /nfs/dbraw/zinc/92/69/58/1426926958.db2.gz REMVNYOKTQNVFA-UHFFFAOYSA-N -1 0 332.367 2.519 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(N)cc1Cl ZINC000823954068 1426946781 /nfs/dbraw/zinc/94/67/81/1426946781.db2.gz XWXBLKNRHGSHDH-UHFFFAOYSA-N -1 0 341.806 2.616 20 30 EFEDRM O=C1C(=Cc2ccccc2-c2nn[n-]n2)COc2c(F)ccc(F)c21 ZINC000826475357 1426997338 /nfs/dbraw/zinc/99/73/38/1426997338.db2.gz CSQRQQNYLQUMBH-YFHOEESVSA-N -1 0 340.289 2.804 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc3occc3s2)cc1-c1nn[n-]n1 ZINC000737719736 1427009553 /nfs/dbraw/zinc/00/95/53/1427009553.db2.gz VGSZANHIGFVSBT-UHFFFAOYSA-N -1 0 336.336 2.798 20 30 EFEDRM CC(=NNCc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000735450855 1427033671 /nfs/dbraw/zinc/03/36/71/1427033671.db2.gz GKWFDIVXFSSDHQ-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C#Cc1ccccc1 ZINC000820152271 1427113855 /nfs/dbraw/zinc/11/38/55/1427113855.db2.gz WGVUDUURTNVUGP-UHFFFAOYSA-N -1 0 347.378 2.644 20 30 EFEDRM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737129896 1427219651 /nfs/dbraw/zinc/21/96/51/1427219651.db2.gz NLCXYXVYSLRKEW-CMDGGOBGSA-N -1 0 349.394 2.828 20 30 EFEDRM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000820833030 1427420426 /nfs/dbraw/zinc/42/04/26/1427420426.db2.gz QLJLGUOVVCSRHZ-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2sc(C(C)C)nc2C)o1 ZINC000819783431 1427444414 /nfs/dbraw/zinc/44/44/14/1427444414.db2.gz XBZBIBKVRDAWID-UHFFFAOYSA-N -1 0 346.420 2.888 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737698146 1427521573 /nfs/dbraw/zinc/52/15/73/1427521573.db2.gz UCNUHTUQHJILAN-FPLPWBNLSA-N -1 0 331.335 2.665 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822830215 1427535502 /nfs/dbraw/zinc/53/55/02/1427535502.db2.gz XLWWSDVZWIBEBC-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM C=CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894261 1427545118 /nfs/dbraw/zinc/54/51/18/1427545118.db2.gz LPKOIWXKGBMYSK-OLZOCXBDSA-N -1 0 330.388 2.922 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-n2cccn2)cc1 ZINC000826402560 1427610614 /nfs/dbraw/zinc/61/06/14/1427610614.db2.gz XEOLNISYQRUOMX-DHZHZOJOSA-N -1 0 342.362 2.949 20 30 EFEDRM C=CCOc1ccccc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000819759187 1427736628 /nfs/dbraw/zinc/73/66/28/1427736628.db2.gz PPXBGWCARZLXDZ-UHFFFAOYSA-N -1 0 339.374 2.860 20 30 EFEDRM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000824779884 1427777986 /nfs/dbraw/zinc/77/79/86/1427777986.db2.gz XVBJTNXBKUDZLR-INIZCTEOSA-N -1 0 348.357 2.594 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822825755 1427910071 /nfs/dbraw/zinc/91/00/71/1427910071.db2.gz OAHDTBMDMZGXTQ-UHFFFAOYSA-N -1 0 341.758 2.850 20 30 EFEDRM C[C@@H]1Cc2ccccc2C1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825012441 1427954573 /nfs/dbraw/zinc/95/45/73/1427954573.db2.gz JFFMHSMCZRSRMQ-SECBINFHSA-N -1 0 339.790 2.924 20 30 EFEDRM CCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821417827 1427959595 /nfs/dbraw/zinc/95/95/95/1427959595.db2.gz TTWCKDLUNNQPLC-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824136623 1428018500 /nfs/dbraw/zinc/01/85/00/1428018500.db2.gz RSNPZBFOHRWYEA-ALCCZGGFSA-N -1 0 340.362 2.923 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000677644472 1428093633 /nfs/dbraw/zinc/09/36/33/1428093633.db2.gz PYMPFVNIUDNFNH-KSSFIOAISA-N -1 0 333.395 2.765 20 30 EFEDRM C=C[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882774 1428138530 /nfs/dbraw/zinc/13/85/30/1428138530.db2.gz DCWHCYVJZFCGIF-HNNXBMFYSA-N -1 0 333.395 2.843 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826382301 1428200756 /nfs/dbraw/zinc/20/07/56/1428200756.db2.gz XNDUVBLDIXYPHO-PLNGDYQASA-N -1 0 337.364 2.727 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000826257221 1429799202 /nfs/dbraw/zinc/79/92/02/1429799202.db2.gz SWPWVLJJNJSPBD-UHFFFAOYSA-N -1 0 349.398 2.856 20 30 EFEDRM C=CCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823888757 1429833923 /nfs/dbraw/zinc/83/39/23/1429833923.db2.gz VOKXXBMCNGQZSJ-UHFFFAOYSA-N -1 0 326.385 2.895 20 30 EFEDRM CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825639484 1429932573 /nfs/dbraw/zinc/93/25/73/1429932573.db2.gz XNABMKMKGCWODU-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C#N ZINC000826190793 1430024849 /nfs/dbraw/zinc/02/48/49/1430024849.db2.gz NPTQMISFKCKROS-QHHAFSJGSA-N -1 0 349.325 2.782 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826384226 1430044990 /nfs/dbraw/zinc/04/49/90/1430044990.db2.gz MDTRPEXXCRUORA-ONEGZZNKSA-N -1 0 325.328 2.835 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819710072 1430075872 /nfs/dbraw/zinc/07/58/72/1430075872.db2.gz WAWLVJSNFHPQKG-ZDUSSCGKSA-N -1 0 348.362 2.797 20 30 EFEDRM CSc1ccsc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737190915 1430126467 /nfs/dbraw/zinc/12/64/67/1430126467.db2.gz KBTWUXPBFUHWCG-UHFFFAOYSA-N -1 0 342.409 2.774 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000823503886 1430144664 /nfs/dbraw/zinc/14/46/64/1430144664.db2.gz JZSSKWOZQULTEO-LCYFTJDESA-N -1 0 347.334 2.987 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498188 1430152990 /nfs/dbraw/zinc/15/29/90/1430152990.db2.gz KORFJKZMFSQVOR-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM CCCCCCCN(c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000821056146 1430240822 /nfs/dbraw/zinc/24/08/22/1430240822.db2.gz MIZGAVLYGHJAFD-UHFFFAOYSA-N -1 0 337.449 2.603 20 30 EFEDRM COc1ccc(C#N)cc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821770394 1441431305 /nfs/dbraw/zinc/43/13/05/1441431305.db2.gz RWDUHJLSYLTOHE-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737722014 1441461626 /nfs/dbraw/zinc/46/16/26/1441461626.db2.gz DUDZGLNHOGEOAM-UHFFFAOYSA-N -1 0 342.409 2.531 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826387488 1441474358 /nfs/dbraw/zinc/47/43/58/1441474358.db2.gz XRDUBRXOCFWOOI-CMDGGOBGSA-N -1 0 349.325 2.634 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715573 1441481954 /nfs/dbraw/zinc/48/19/54/1441481954.db2.gz BINNGLFXOGWUFJ-HOCLYGCPSA-N -1 0 336.399 2.893 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823850813 1441563135 /nfs/dbraw/zinc/56/31/35/1441563135.db2.gz UQTGOTZWQPNHIX-UHFFFAOYSA-N -1 0 339.349 2.780 20 30 EFEDRM CCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000825367158 1441583386 /nfs/dbraw/zinc/58/33/86/1441583386.db2.gz KAQRIJGOYMRFJH-XFXZXTDPSA-N -1 0 344.378 2.805 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821343553 1441729936 /nfs/dbraw/zinc/72/99/36/1441729936.db2.gz PKKDWSRFNMVXHR-CLFYSBASSA-N -1 0 338.323 2.533 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000824262089 1441792235 /nfs/dbraw/zinc/79/22/35/1441792235.db2.gz WWVYYCBEGNQFNO-UHFFFAOYSA-N -1 0 333.399 2.796 20 30 EFEDRM C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873304 1441838384 /nfs/dbraw/zinc/83/83/84/1441838384.db2.gz KYITYHOQEKAPRH-WFASDCNBSA-N -1 0 330.388 2.842 20 30 EFEDRM N#Cc1ccc(CNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822825776 1441927357 /nfs/dbraw/zinc/92/73/57/1441927357.db2.gz OLORCXHKVQXKSM-UHFFFAOYSA-N -1 0 343.394 2.569 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000822220555 1441934480 /nfs/dbraw/zinc/93/44/80/1441934480.db2.gz WQGHXVYZGZPSMP-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826387591 1442015353 /nfs/dbraw/zinc/01/53/53/1442015353.db2.gz FBZJRNBBXATJDY-RQOWECAXSA-N -1 0 325.328 2.835 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163320 1442091559 /nfs/dbraw/zinc/09/15/59/1442091559.db2.gz MYXMVSXZXKNJEC-GFCCVEGCSA-N -1 0 333.351 2.851 20 30 EFEDRM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822814914 1442100807 /nfs/dbraw/zinc/10/08/07/1442100807.db2.gz LHFRCPMPMCBLPV-FNORWQNLSA-N -1 0 337.364 2.727 20 30 EFEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccccn2)s1 ZINC000819718250 1442116074 /nfs/dbraw/zinc/11/60/74/1442116074.db2.gz BVZWPQZYVQHXTB-UHFFFAOYSA-N -1 0 348.395 2.831 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000736676411 1442151211 /nfs/dbraw/zinc/15/12/11/1442151211.db2.gz UPXMJMLTXSPQMM-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475368 1442187261 /nfs/dbraw/zinc/18/72/61/1442187261.db2.gz DBUYJDYWFRNHKB-BJMVGYQFSA-N -1 0 340.289 2.804 20 30 EFEDRM CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379277 1442193285 /nfs/dbraw/zinc/19/32/85/1442193285.db2.gz FRROLLJNGWBQKC-UHFFFAOYSA-N -1 0 332.367 2.599 20 30 EFEDRM C[C@@H](OC(=O)C1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713717 1442313981 /nfs/dbraw/zinc/31/39/81/1442313981.db2.gz KFDFWQLJUJSAQO-GFCCVEGCSA-N -1 0 325.372 2.945 20 30 EFEDRM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825632 1442342862 /nfs/dbraw/zinc/34/28/62/1442342862.db2.gz JFQJJCJHLFZGEJ-UHFFFAOYSA-N -1 0 342.309 2.952 20 30 EFEDRM C[C@H](C#N)CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CC1 ZINC000824034460 1442372518 /nfs/dbraw/zinc/37/25/18/1442372518.db2.gz KEAGOZIUCPNSBM-SNVBAGLBSA-N -1 0 348.357 2.592 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735419345 1442447645 /nfs/dbraw/zinc/44/76/45/1442447645.db2.gz RYOOXQJWUVZTHP-NSHDSACASA-N -1 0 347.419 2.687 20 30 EFEDRM C=C(C)COCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000819723099 1442449601 /nfs/dbraw/zinc/44/96/01/1442449601.db2.gz YQGABCHXMPTFCK-UHFFFAOYSA-N -1 0 346.341 2.698 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826365072 1443073771 /nfs/dbraw/zinc/07/37/71/1443073771.db2.gz AGTUFCJCXGJPRA-SOFGYWHQSA-N -1 0 330.351 2.650 20 30 EFEDRM C=CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000735409817 1443088751 /nfs/dbraw/zinc/08/87/51/1443088751.db2.gz LXOFQIRFUXVIHY-XZVRFQMRSA-N -1 0 346.394 2.709 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C)C#N)cc1 ZINC000822135803 1443163383 /nfs/dbraw/zinc/16/33/83/1443163383.db2.gz FEQRQJINPFXVQJ-LBPRGKRZSA-N -1 0 348.366 2.609 20 30 EFEDRM C=CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000823931624 1443281031 /nfs/dbraw/zinc/28/10/31/1443281031.db2.gz BRZWTVMDHQBOBH-UHFFFAOYSA-N -1 0 335.367 2.992 20 30 EFEDRM CCOc1ccccc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821431306 1443316292 /nfs/dbraw/zinc/31/62/92/1443316292.db2.gz PAIIHVSJGMSYBS-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402731 1443342539 /nfs/dbraw/zinc/34/25/39/1443342539.db2.gz AIPJQIMQFCOVBG-RJRFIUFISA-N -1 0 345.315 2.872 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400751 1443376914 /nfs/dbraw/zinc/37/69/14/1443376914.db2.gz HJKGHGZOKJKHET-IWQZZHSRSA-N -1 0 340.364 2.596 20 30 EFEDRM Brc1cccc(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000819688818 1443381946 /nfs/dbraw/zinc/38/19/46/1443381946.db2.gz NDRLHAXOWZWXJB-UHFFFAOYSA-N -1 0 333.149 2.668 20 30 EFEDRM N#CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000826381546 1443385336 /nfs/dbraw/zinc/38/53/36/1443385336.db2.gz PUCJCIZEXRLWIK-LBPRGKRZSA-N -1 0 338.396 2.703 20 30 EFEDRM Fc1ccc2c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822783195 1443411577 /nfs/dbraw/zinc/41/15/77/1443411577.db2.gz ZIJROFDBMOSYEB-UHFFFAOYSA-N -1 0 335.346 2.611 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826257289 1443436845 /nfs/dbraw/zinc/43/68/45/1443436845.db2.gz WFLGZRHQVSDQNN-UHFFFAOYSA-N -1 0 333.351 2.712 20 30 EFEDRM CCc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)oc1CC ZINC000821469352 1443439071 /nfs/dbraw/zinc/43/90/71/1443439071.db2.gz DBBLEHBMDIAAOG-UHFFFAOYSA-N -1 0 336.355 2.708 20 30 EFEDRM COc1ccc(CNN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826203380 1443448250 /nfs/dbraw/zinc/44/82/50/1443448250.db2.gz LMUKKQYQXKZWIP-UHFFFAOYSA-N -1 0 340.362 2.528 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000819710231 1443449345 /nfs/dbraw/zinc/44/93/45/1443449345.db2.gz ZNRGFADCZLZECZ-UHFFFAOYSA-N -1 0 329.360 2.691 20 30 EFEDRM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826217568 1443517510 /nfs/dbraw/zinc/51/75/10/1443517510.db2.gz SNWJSUVJMZKJRT-VOTSOKGWSA-N -1 0 342.380 2.842 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825481285 1443537065 /nfs/dbraw/zinc/53/70/65/1443537065.db2.gz VWOZJADEGKPSSF-UHFFFAOYSA-N -1 0 337.362 2.921 20 30 EFEDRM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1cc(Cl)ccc1C#N ZINC000821573267 1443572918 /nfs/dbraw/zinc/57/29/18/1443572918.db2.gz IOGAUARRFLBWFK-UHFFFAOYSA-N -1 0 344.787 2.730 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709799 1443596935 /nfs/dbraw/zinc/59/69/35/1443596935.db2.gz POIPVYOOJFOBTC-ZDUSSCGKSA-N -1 0 348.362 2.797 20 30 EFEDRM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000820456295 1443621848 /nfs/dbraw/zinc/62/18/48/1443621848.db2.gz RPQBMXGJYRXJGR-JTQLQIEISA-N -1 0 335.327 2.820 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823874289 1443646430 /nfs/dbraw/zinc/64/64/30/1443646430.db2.gz UYNLBUIZLNNSST-OAHLLOKOSA-N -1 0 329.404 2.591 20 30 EFEDRM N#Cc1cccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1F ZINC000826386549 1443677244 /nfs/dbraw/zinc/67/72/44/1443677244.db2.gz JJLGCMHWBFWSPZ-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)OCC ZINC000823874134 1443804513 /nfs/dbraw/zinc/80/45/13/1443804513.db2.gz TWWFVRIXNGUDKG-AWEZNQCLSA-N -1 0 349.822 2.854 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819817357 1443818460 /nfs/dbraw/zinc/81/84/60/1443818460.db2.gz BUBMUOIUVRIWDD-FNORWQNLSA-N -1 0 339.380 2.783 20 30 EFEDRM CCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(O)c(F)c1 ZINC000820832587 1443879869 /nfs/dbraw/zinc/87/98/69/1443879869.db2.gz LZDQLPSBMFAGFF-UHFFFAOYSA-N -1 0 326.335 2.938 20 30 EFEDRM CN(Cc1cc(C#N)cs1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821607489 1443893680 /nfs/dbraw/zinc/89/36/80/1443893680.db2.gz QURZNZFKECTYLO-UHFFFAOYSA-N -1 0 328.376 2.571 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000826400654 1443907577 /nfs/dbraw/zinc/90/75/77/1443907577.db2.gz DNJYJCZKFRZUEL-DJWKRKHSSA-N -1 0 338.298 2.631 20 30 EFEDRM COc1cc(C#N)ccc1COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000826177105 1443916518 /nfs/dbraw/zinc/91/65/18/1443916518.db2.gz RKWQKOMPNDUSQU-UHFFFAOYSA-N -1 0 335.367 2.943 20 30 EFEDRM COCCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000821684544 1443986555 /nfs/dbraw/zinc/98/65/55/1443986555.db2.gz CQGNNEFHRFSVKR-UHFFFAOYSA-N -1 0 335.412 2.613 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819709320 1444001220 /nfs/dbraw/zinc/00/12/20/1444001220.db2.gz CHSOMSCVYVOWJK-UHFFFAOYSA-N -1 0 341.321 2.769 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735601948 1444007490 /nfs/dbraw/zinc/00/74/90/1444007490.db2.gz HPEZMJMABHNOMY-UHFFFAOYSA-N -1 0 340.431 2.588 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000735420718 1446090318 /nfs/dbraw/zinc/09/03/18/1446090318.db2.gz QYQATIPSRBKQTH-MRXNPFEDSA-N -1 0 338.415 2.673 20 30 EFEDRM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400559 1446109336 /nfs/dbraw/zinc/10/93/36/1446109336.db2.gz BGUCHEADQSJHMZ-FNORWQNLSA-N -1 0 334.314 2.550 20 30 EFEDRM C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819739823 1446144087 /nfs/dbraw/zinc/14/40/87/1446144087.db2.gz IYTBYNMOOPXABX-NSHDSACASA-N -1 0 346.822 2.521 20 30 EFEDRM N#Cc1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822829741 1446229361 /nfs/dbraw/zinc/22/93/61/1446229361.db2.gz GYKVNKAJUFPRSH-UHFFFAOYSA-N -1 0 345.410 2.819 20 30 EFEDRM O=[N+]([O-])c1ccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826499658 1446239463 /nfs/dbraw/zinc/23/94/63/1446239463.db2.gz RJAHTDDECRSGPC-UHFFFAOYSA-N -1 0 348.326 2.702 20 30 EFEDRM CC(C)(C#N)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000824058804 1446240910 /nfs/dbraw/zinc/24/09/10/1446240910.db2.gz CJPATQTXCFLLAW-UHFFFAOYSA-N -1 0 329.314 2.655 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819743465 1446291456 /nfs/dbraw/zinc/29/14/56/1446291456.db2.gz KBMVDTMUIVUQMM-UHFFFAOYSA-N -1 0 339.424 2.799 20 30 EFEDRM Fc1ccc2c(c1)CCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826376268 1446309728 /nfs/dbraw/zinc/30/97/28/1446309728.db2.gz VUZAHUZCDSMIGA-UHFFFAOYSA-N -1 0 343.753 2.817 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735505120 1446378583 /nfs/dbraw/zinc/37/85/83/1446378583.db2.gz SIOYXHSDOFCTGH-LBPRGKRZSA-N -1 0 348.366 2.544 20 30 EFEDRM COc1cc(-c2nnn[n-]2)ccc1Oc1snc(Cl)c1C#N ZINC000826176529 1446400821 /nfs/dbraw/zinc/40/08/21/1446400821.db2.gz SXTKXZMOGKWYLI-UHFFFAOYSA-N -1 0 334.748 2.649 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735437957 1446425177 /nfs/dbraw/zinc/42/51/77/1446425177.db2.gz UVJHBFIXCHQIBN-UHFFFAOYSA-N -1 0 346.350 2.555 20 30 EFEDRM COc1ccc(C=C2Oc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085173 1446489215 /nfs/dbraw/zinc/48/92/15/1446489215.db2.gz ZALOHGMHHOVSTH-VIZOYTHASA-N -1 0 338.298 2.631 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735380581 1446639328 /nfs/dbraw/zinc/63/93/28/1446639328.db2.gz JKZBYAKYCNWLAM-UHFFFAOYSA-N -1 0 341.321 2.769 20 30 EFEDRM CC(C)Oc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820178409 1446833462 /nfs/dbraw/zinc/83/34/62/1446833462.db2.gz OTHJKPKAHQQCAR-UHFFFAOYSA-N -1 0 336.399 2.778 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2o1 ZINC000822801238 1446910151 /nfs/dbraw/zinc/91/01/51/1446910151.db2.gz GPIXZDOWEOEBGB-MRVPVSSYSA-N -1 0 336.336 2.559 20 30 EFEDRM CCC1(CC)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1OC ZINC000825165143 1446910689 /nfs/dbraw/zinc/91/06/89/1446910689.db2.gz UAALQNIZWRHWCE-NSHDSACASA-N -1 0 349.826 2.908 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C#N)cc1C ZINC000826253945 1446915009 /nfs/dbraw/zinc/91/50/09/1446915009.db2.gz LZJBUIGISLHDTE-UHFFFAOYSA-N -1 0 333.351 2.712 20 30 EFEDRM C=CC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735410363 1446979104 /nfs/dbraw/zinc/97/91/04/1446979104.db2.gz ZUZDPVOCQDTELA-CQSZACIVSA-N -1 0 342.447 2.999 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894594 1446984451 /nfs/dbraw/zinc/98/44/51/1446984451.db2.gz UNTKDRFGIHMGJK-CHWSQXEVSA-N -1 0 328.420 2.972 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3cnccc32)o1 ZINC000824353129 1447003612 /nfs/dbraw/zinc/00/36/12/1447003612.db2.gz YOKIBABWLUHHNI-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958564 1447137088 /nfs/dbraw/zinc/13/70/88/1447137088.db2.gz QTAVPLMUGDRUID-UHFFFAOYSA-N -1 0 329.345 2.673 20 30 EFEDRM CC(=NNCCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953471 1447153836 /nfs/dbraw/zinc/15/38/36/1447153836.db2.gz BQUBQBYBIDTUFK-UHFFFAOYSA-N -1 0 338.390 2.952 20 30 EFEDRM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820457257 1447170036 /nfs/dbraw/zinc/17/00/36/1447170036.db2.gz ZDSYQGITUSLGJH-SNVBAGLBSA-N -1 0 335.327 2.820 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1O ZINC000826178577 1447173658 /nfs/dbraw/zinc/17/36/58/1447173658.db2.gz DFAQDANNSABMMS-QHHAFSJGSA-N -1 0 340.314 2.616 20 30 EFEDRM C=C(C)[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873051 1447200370 /nfs/dbraw/zinc/20/03/70/1447200370.db2.gz GWTRJFIQFHIRGP-DOMZBBRYSA-N -1 0 330.388 2.842 20 30 EFEDRM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)c(F)c1 ZINC000824606518 1447210294 /nfs/dbraw/zinc/21/02/94/1447210294.db2.gz PSZIXMMIKFJFKK-JTQLQIEISA-N -1 0 340.337 2.867 20 30 EFEDRM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503557 1447253248 /nfs/dbraw/zinc/25/32/48/1447253248.db2.gz GXAHDXIQSJMMAZ-XFXZXTDPSA-N -1 0 346.346 2.808 20 30 EFEDRM CC#CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819763786 1447260779 /nfs/dbraw/zinc/26/07/79/1447260779.db2.gz CXUMPXBSHUCTIR-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM Fc1ccc(Cl)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826374862 1449079040 /nfs/dbraw/zinc/07/90/40/1449079040.db2.gz PAPXISDTELOKNC-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM CCOc1cccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821427688 1449252477 /nfs/dbraw/zinc/25/24/77/1449252477.db2.gz YHEPBDVBWBKNTO-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM C[C@@H](Nc1nc2ccccn2c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663360 1449263796 /nfs/dbraw/zinc/26/37/96/1449263796.db2.gz YFLYUYOYCCFNNF-LLVKDONJSA-N -1 0 330.355 2.559 20 30 EFEDRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737416193 1449307956 /nfs/dbraw/zinc/30/79/56/1449307956.db2.gz XXCFHARYXPXBII-UHFFFAOYSA-N -1 0 346.394 2.963 20 30 EFEDRM C#CCOc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380724 1449400954 /nfs/dbraw/zinc/40/09/54/1449400954.db2.gz LRMLACFHTYRVFA-UHFFFAOYSA-N -1 0 332.367 2.715 20 30 EFEDRM CCCCCCCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825272291 1449402166 /nfs/dbraw/zinc/40/21/66/1449402166.db2.gz ZPDGVYMILIODSF-OAHLLOKOSA-N -1 0 332.404 2.804 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735419762 1449504031 /nfs/dbraw/zinc/50/40/31/1449504031.db2.gz ZTPZBGDAONFEOV-LBPRGKRZSA-N -1 0 329.429 2.548 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736488918 1449544607 /nfs/dbraw/zinc/54/46/07/1449544607.db2.gz UMABHWSZGCBIKY-UHFFFAOYSA-N -1 0 347.382 2.813 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822015322 1449553583 /nfs/dbraw/zinc/55/35/83/1449553583.db2.gz ILEBLGBORJSUHQ-GFCCVEGCSA-N -1 0 347.382 2.930 20 30 EFEDRM C=CCCOCCCCC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823898797 1449558663 /nfs/dbraw/zinc/55/86/63/1449558663.db2.gz BQAJNEVMJFVKEB-UHFFFAOYSA-N -1 0 343.431 2.588 20 30 EFEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958630 1449575129 /nfs/dbraw/zinc/57/51/29/1449575129.db2.gz TZKJTFVFFJUPCI-UHFFFAOYSA-N -1 0 344.791 2.684 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495085 1449706097 /nfs/dbraw/zinc/70/60/97/1449706097.db2.gz QRIVMMWTJPEOGE-NKSUMMKUSA-N -1 0 335.452 2.797 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821589331 1449730459 /nfs/dbraw/zinc/73/04/59/1449730459.db2.gz JPHPUEISTOZASI-BQYQJAHWSA-N -1 0 325.397 2.890 20 30 EFEDRM COc1ccc(C=NNc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000737080416 1449741600 /nfs/dbraw/zinc/74/16/00/1449741600.db2.gz AGEWUHCNJFWHFD-UHFFFAOYSA-N -1 0 330.298 2.600 20 30 EFEDRM COc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826210380 1449780244 /nfs/dbraw/zinc/78/02/44/1449780244.db2.gz OUZFMPJPRXPRBT-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826257087 1449798849 /nfs/dbraw/zinc/79/88/49/1449798849.db2.gz MYEMIKMIJZYQSL-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C#N ZINC000826190792 1449881911 /nfs/dbraw/zinc/88/19/11/1449881911.db2.gz NPTQMISFKCKROS-KXFIGUGUSA-N -1 0 349.325 2.782 20 30 EFEDRM C[C@H](Nc1c(C#N)cnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137994 1450076990 /nfs/dbraw/zinc/07/69/90/1450076990.db2.gz MWCDBNNIUNFCQO-LBPRGKRZSA-N -1 0 341.378 2.882 20 30 EFEDRM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332818 1450086042 /nfs/dbraw/zinc/08/60/42/1450086042.db2.gz JAGDAUCBXOOLBD-UHFFFAOYSA-N -1 0 338.419 2.881 20 30 EFEDRM C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419281 1450173628 /nfs/dbraw/zinc/17/36/28/1450173628.db2.gz RIGGDPLRKCFYJS-ZDUSSCGKSA-N -1 0 343.456 2.862 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737721338 1450175965 /nfs/dbraw/zinc/17/59/65/1450175965.db2.gz JEGDMBOCMWZMCZ-UHFFFAOYSA-N -1 0 346.394 2.786 20 30 EFEDRM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738401433 1450268438 /nfs/dbraw/zinc/26/84/38/1450268438.db2.gz SGEKZJNLWJRECZ-KEBDBYFISA-N -1 0 348.341 2.879 20 30 EFEDRM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737728309 1450303010 /nfs/dbraw/zinc/30/30/10/1450303010.db2.gz LQUOMFQXTOWJAW-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824724101 1450329242 /nfs/dbraw/zinc/32/92/42/1450329242.db2.gz YQVWWFFCRKAQAD-LBPRGKRZSA-N -1 0 333.351 2.851 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729979 1450359780 /nfs/dbraw/zinc/35/97/80/1450359780.db2.gz ONPGHHLWTIOTLN-CYBMUJFWSA-N -1 0 349.394 2.750 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735375293 1450423017 /nfs/dbraw/zinc/42/30/17/1450423017.db2.gz XDJMLNQEPGLALG-UHFFFAOYSA-N -1 0 339.349 2.780 20 30 EFEDRM COc1cc(C#N)ccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737033934 1450456288 /nfs/dbraw/zinc/45/62/88/1450456288.db2.gz CMEQETWYZUBZBB-UHFFFAOYSA-N -1 0 328.719 2.588 20 30 EFEDRM C=CCC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894371 1450471319 /nfs/dbraw/zinc/47/13/19/1450471319.db2.gz OKWQWHQVENQOJK-IUODEOHRSA-N -1 0 342.399 2.922 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2ccoc2)C1 ZINC000890568062 713024369 /nfs/dbraw/zinc/02/43/69/713024369.db2.gz QADRCGBBXHNLRU-UHFFFAOYSA-N -1 0 339.395 2.502 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000187087608 713055119 /nfs/dbraw/zinc/05/51/19/713055119.db2.gz OPKAMTWWYWULIL-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM Cc1ccc(-c2ccc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)o2)cc1 ZINC000255110019 713720586 /nfs/dbraw/zinc/72/05/86/713720586.db2.gz IBGAFJHLAMRHIM-CLFYSBASSA-N -1 0 336.347 2.950 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)c(C)ccc2C ZINC000121185290 714124327 /nfs/dbraw/zinc/12/43/27/714124327.db2.gz AOLWWZRNEBJHGK-CQSZACIVSA-N -1 0 342.395 2.833 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892494778 717957933 /nfs/dbraw/zinc/95/79/33/717957933.db2.gz IBUWMKMNJANLTC-LBPRGKRZSA-N -1 0 339.317 2.872 20 30 EFEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2)nc1 ZINC000892497041 717968025 /nfs/dbraw/zinc/96/80/25/717968025.db2.gz VCTPWRZCFXFHKX-MRXNPFEDSA-N -1 0 335.363 2.783 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073264142 714641189 /nfs/dbraw/zinc/64/11/89/714641189.db2.gz BTHPWCBUGBXVNT-JLLWLGSASA-N -1 0 349.330 2.918 20 30 EFEDRM Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255362634 714734612 /nfs/dbraw/zinc/73/46/12/714734612.db2.gz IIYFHKXPASACIX-XQRVVYSFSA-N -1 0 342.395 2.725 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1sccc1C(C)C ZINC000066002986 718023065 /nfs/dbraw/zinc/02/30/65/718023065.db2.gz ODELQLOWOINCNA-UHFFFAOYSA-N -1 0 341.458 2.915 20 30 EFEDRM CCc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000065042081 715038803 /nfs/dbraw/zinc/03/88/03/715038803.db2.gz YPVNJNHMMSOGHU-UHFFFAOYSA-N -1 0 328.390 2.679 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)(F)F)C(=O)O1 ZINC000255472781 715271917 /nfs/dbraw/zinc/27/19/17/715271917.db2.gz YOVRGRVLMXHTDU-AFNCTOJWSA-N -1 0 340.253 2.813 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)c1 ZINC000026537061 715438129 /nfs/dbraw/zinc/43/81/29/715438129.db2.gz HRAMDSYEDXIPKX-UHFFFAOYSA-N -1 0 335.356 2.625 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2cccs2)n1 ZINC000124755506 715484699 /nfs/dbraw/zinc/48/46/99/715484699.db2.gz FMPLWNXSLAMHLF-JTQLQIEISA-N -1 0 331.422 2.816 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000125445034 715630417 /nfs/dbraw/zinc/63/04/17/715630417.db2.gz AIGXBEQJPKVAPM-CQSZACIVSA-N -1 0 348.468 2.881 20 30 EFEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000102120784 715795019 /nfs/dbraw/zinc/79/50/19/715795019.db2.gz GXILPHBWKDEVGS-GXTWGEPZSA-N -1 0 341.415 2.558 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)s2)C(=O)O1 ZINC000255557592 715842074 /nfs/dbraw/zinc/84/20/74/715842074.db2.gz JGRACYZESXGOJD-DTRQGZQOSA-N -1 0 341.182 2.739 20 30 EFEDRM CC(C)C(=O)NCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255561375 715940022 /nfs/dbraw/zinc/94/00/22/715940022.db2.gz AZHSOEYFQOZPLW-PXNMLYILSA-N -1 0 327.768 2.535 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1OC ZINC000130054986 716304096 /nfs/dbraw/zinc/30/40/96/716304096.db2.gz KWOGUTHGEZVEBN-SNVBAGLBSA-N -1 0 348.742 2.911 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000125643035 716383847 /nfs/dbraw/zinc/38/38/47/716383847.db2.gz DYACCJLOQQDGIT-LLVKDONJSA-N -1 0 348.811 2.820 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1 ZINC000125569706 716480662 /nfs/dbraw/zinc/48/06/62/716480662.db2.gz BFUVAINBTSMEGR-INIZCTEOSA-N -1 0 329.400 2.664 20 30 EFEDRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179029553 716573593 /nfs/dbraw/zinc/57/35/93/716573593.db2.gz OZPALGWHLRPWMZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C1NCCCN1c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255585740 716598896 /nfs/dbraw/zinc/59/88/96/716598896.db2.gz MOUAGLVZYRWMCZ-UHFFFAOYSA-N -1 0 340.339 2.971 20 30 EFEDRM CC[C@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052792805 716605024 /nfs/dbraw/zinc/60/50/24/716605024.db2.gz UMTQCQQVQCQYLQ-ZDUSSCGKSA-N -1 0 340.445 2.876 20 30 EFEDRM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794662 716610975 /nfs/dbraw/zinc/61/09/75/716610975.db2.gz NUHKXRXHPWMYMG-LLVKDONJSA-N -1 0 346.836 2.795 20 30 EFEDRM O=C(CCSc1ccccc1F)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795180 716611881 /nfs/dbraw/zinc/61/18/81/716611881.db2.gz HTDYAERABOIKPU-UHFFFAOYSA-N -1 0 346.449 2.995 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000176813588 716690828 /nfs/dbraw/zinc/69/08/28/716690828.db2.gz JXYGRCVOMAAKKS-UHFFFAOYSA-N -1 0 344.754 2.870 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000176818553 716696999 /nfs/dbraw/zinc/69/69/99/716696999.db2.gz DMDVRNUDCLKDAZ-UHFFFAOYSA-N -1 0 326.312 2.613 20 30 EFEDRM COc1cccc(CO[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176833188 716752821 /nfs/dbraw/zinc/75/28/21/716752821.db2.gz HUTRSAGPAMIKFW-GFCCVEGCSA-N -1 0 326.352 2.816 20 30 EFEDRM CC(C)OCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000064667455 716912068 /nfs/dbraw/zinc/91/20/68/716912068.db2.gz YMVLSBZLBHOPIK-UHFFFAOYSA-N -1 0 325.308 2.776 20 30 EFEDRM COCCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000065763179 717342364 /nfs/dbraw/zinc/34/23/64/717342364.db2.gz JMQIBYQXINFNMU-UHFFFAOYSA-N -1 0 349.408 2.714 20 30 EFEDRM Cc1sc2ncnc(SCCC(=O)[N-]S(C)(=O)=O)c2c1C ZINC000065764065 717347037 /nfs/dbraw/zinc/34/70/37/717347037.db2.gz ZEPDIHDDGLNVBK-UHFFFAOYSA-N -1 0 345.471 2.706 20 30 EFEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)ccc1F ZINC000065763398 717347179 /nfs/dbraw/zinc/34/71/79/717347179.db2.gz DZFBBWVFWSKNBG-UHFFFAOYSA-N -1 0 342.373 2.539 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000177876732 718214987 /nfs/dbraw/zinc/21/49/87/718214987.db2.gz HJPVPXLXBLEYEA-UHFFFAOYSA-N -1 0 345.355 2.709 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000178121358 718256587 /nfs/dbraw/zinc/25/65/87/718256587.db2.gz NAUSTDSTWNSBOP-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000180774883 718374300 /nfs/dbraw/zinc/37/43/00/718374300.db2.gz AJGIHGVXYVTWDF-KRWDZBQOSA-N -1 0 336.395 2.644 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc(Cl)cc1 ZINC000122668503 719634054 /nfs/dbraw/zinc/63/40/54/719634054.db2.gz NWVKVOIZJYQEFU-CQSZACIVSA-N -1 0 329.787 2.988 20 30 EFEDRM N#CC(=C([O-])C1=CCCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000122720463 719718905 /nfs/dbraw/zinc/71/89/05/719718905.db2.gz VAWZYQUUFWYRRN-AWEZNQCLSA-N -1 0 334.383 2.874 20 30 EFEDRM CCC(=O)N1CC[C@H](/N=C/c2cc(Br)ccc2O)C1 ZINC000122904574 720027824 /nfs/dbraw/zinc/02/78/24/720027824.db2.gz VOVZOIOXECQYAT-WIJRQFRKSA-N -1 0 325.206 2.585 20 30 EFEDRM Cc1nn(C)c(Cl)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122973857 720420705 /nfs/dbraw/zinc/42/07/05/720420705.db2.gz IZUQIQCBSVCLFX-SNVBAGLBSA-N -1 0 327.775 2.759 20 30 EFEDRM CCOc1ccc(SCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123172847 720793237 /nfs/dbraw/zinc/79/32/37/720793237.db2.gz YORXLOWUWDJJQK-AWEZNQCLSA-N -1 0 343.408 2.503 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000931318403 721071156 /nfs/dbraw/zinc/07/11/56/721071156.db2.gz SIUFXHUETJIPJI-KGLIPLIRSA-N -1 0 342.436 2.810 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@H](C)C2 ZINC000124227689 721426573 /nfs/dbraw/zinc/42/65/73/721426573.db2.gz RPMGHISCWSKXMM-GXTWGEPZSA-N -1 0 348.468 2.738 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000179788926 724769309 /nfs/dbraw/zinc/76/93/09/724769309.db2.gz LDUBKGUTXRXSFR-ZDUSSCGKSA-N -1 0 345.468 2.936 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)nn1C(C)(C)C ZINC000048450261 722124535 /nfs/dbraw/zinc/12/45/35/722124535.db2.gz IHIFEPIDPZJIBI-UHFFFAOYSA-N -1 0 327.431 2.702 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NOCc2ccccn2)c1 ZINC000909531369 723106281 /nfs/dbraw/zinc/10/62/81/723106281.db2.gz FWRWYSUZOPKWBR-UHFFFAOYSA-N -1 0 325.368 2.750 20 30 EFEDRM C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)c3ccccc3O)C2)C1 ZINC000984620919 723187362 /nfs/dbraw/zinc/18/73/62/723187362.db2.gz WBTJQNPUYCLZQV-HNNXBMFYSA-N -1 0 342.439 2.812 20 30 EFEDRM Cc1ccc(SCCC(=O)[N-]S(=O)(=O)CCCC#N)cc1C ZINC000181266116 728815556 /nfs/dbraw/zinc/81/55/56/728815556.db2.gz NZYGPILXJJYJJP-UHFFFAOYSA-N -1 0 340.470 2.535 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1C#N ZINC000738091194 723549420 /nfs/dbraw/zinc/54/94/20/723549420.db2.gz WAATXBPKHJCZJX-ALCCZGGFSA-N -1 0 337.331 2.926 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000181297524 728841557 /nfs/dbraw/zinc/84/15/57/728841557.db2.gz FUUQEOZKGJPEDN-UHFFFAOYSA-N -1 0 328.459 2.601 20 30 EFEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126940109 723799434 /nfs/dbraw/zinc/79/94/34/723799434.db2.gz AIXHOAUHPVILMA-SFHVURJKSA-N -1 0 334.375 2.890 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000179026007 723822734 /nfs/dbraw/zinc/82/27/34/723822734.db2.gz QVHUXEYSLCXGHG-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM O=C([O-])c1cccc([N-][NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000727251951 723873928 /nfs/dbraw/zinc/87/39/28/723873928.db2.gz MAQICEMZIJMIMQ-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000130565000 728857521 /nfs/dbraw/zinc/85/75/21/728857521.db2.gz UZMMIWMOHNFECY-HNNXBMFYSA-N -1 0 344.342 2.845 20 30 EFEDRM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C(C)C)cc2O)c1 ZINC000918344775 728868414 /nfs/dbraw/zinc/86/84/14/728868414.db2.gz MFMQADQWKKWFPC-UHFFFAOYSA-N -1 0 336.391 2.865 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCOC2 ZINC000728766824 724157558 /nfs/dbraw/zinc/15/75/58/724157558.db2.gz MHOWDVRQSULQAV-CYBMUJFWSA-N -1 0 332.425 2.592 20 30 EFEDRM C=CCSc1ccccc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000909528700 724332234 /nfs/dbraw/zinc/33/22/34/724332234.db2.gz YSSDBDZZTQAIOO-UHFFFAOYSA-N -1 0 335.425 2.576 20 30 EFEDRM CC#CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000154853595 728945277 /nfs/dbraw/zinc/94/52/77/728945277.db2.gz ITEWNLZMHMOBKL-UHFFFAOYSA-N -1 0 325.393 2.823 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000263255823 725638764 /nfs/dbraw/zinc/63/87/64/725638764.db2.gz IIKCKQUHCXZEMM-CYBMUJFWSA-N -1 0 335.400 2.719 20 30 EFEDRM Cc1cc(C(=O)[N-]S(C)(=O)=O)c2ccc(Br)cc2n1 ZINC000054425282 725708952 /nfs/dbraw/zinc/70/89/52/725708952.db2.gz SUZBCTQPKQAUAT-UHFFFAOYSA-N -1 0 343.202 2.570 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)ccc1Cl ZINC000151934353 725874534 /nfs/dbraw/zinc/87/45/34/725874534.db2.gz QYWLWUWBANKORQ-UHFFFAOYSA-N -1 0 348.811 2.780 20 30 EFEDRM O=[N+]([O-])c1cc(CN=Nc2nnc(-c3ccccn3)s2)ccc1[O-] ZINC000788026830 726128244 /nfs/dbraw/zinc/12/82/44/726128244.db2.gz FVJLHYCELHFOHW-UHFFFAOYSA-N -1 0 342.340 2.660 20 30 EFEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000067600127 726306080 /nfs/dbraw/zinc/30/60/80/726306080.db2.gz HVFFDNNXNUZYQN-CYBMUJFWSA-N -1 0 326.443 2.981 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000929022636 726308104 /nfs/dbraw/zinc/30/81/04/726308104.db2.gz ACEAIFYWMRSOSA-SNVBAGLBSA-N -1 0 328.315 2.631 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000929034596 726337696 /nfs/dbraw/zinc/33/76/96/726337696.db2.gz UMIFPJKHVAAOTN-ZJUUUORDSA-N -1 0 346.836 2.808 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1 ZINC000054488147 726350124 /nfs/dbraw/zinc/35/01/24/726350124.db2.gz GVHSLALYTSIMHI-ALCCZGGFSA-N -1 0 336.325 2.855 20 30 EFEDRM COc1cc(C)c(C(C)=NNc2[n-]cnc3ncnc2-3)cc1OC ZINC000731313816 726840516 /nfs/dbraw/zinc/84/05/16/726840516.db2.gz MKVPTZURUKIOPG-UHFFFAOYSA-N -1 0 326.360 2.515 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc2c1=O ZINC000915104967 726870558 /nfs/dbraw/zinc/87/05/58/726870558.db2.gz PLDLDCZHYKOHSS-ZDUSSCGKSA-N -1 0 344.330 2.565 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547035 726891920 /nfs/dbraw/zinc/89/19/20/726891920.db2.gz WAYOWVHOSAQUGX-CQSZACIVSA-N -1 0 335.335 2.753 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000193410963 726902657 /nfs/dbraw/zinc/90/26/57/726902657.db2.gz SEBNEPMEHCNCDB-QGZVFWFLSA-N -1 0 338.363 2.564 20 30 EFEDRM N#CCCn1cc(C(=O)COC(=O)c2cncc(O)c2)c2ccccc21 ZINC000731916405 726955936 /nfs/dbraw/zinc/95/59/36/726955936.db2.gz UAINQSAYUQDQKS-UHFFFAOYSA-N -1 0 349.346 2.695 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000907609369 726970511 /nfs/dbraw/zinc/97/05/11/726970511.db2.gz BOTTZVIIBCYLAT-WFASDCNBSA-N -1 0 335.400 2.938 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)C2(C#N)CCSCC2)cc1)C(=O)[O-] ZINC000907636579 726979465 /nfs/dbraw/zinc/97/94/65/726979465.db2.gz XXSVCJMBVRPWFJ-LBPRGKRZSA-N -1 0 332.425 2.925 20 30 EFEDRM COCc1cc(NC(=O)C2(C#N)CCSCC2)cc(C(=O)[O-])c1 ZINC000907645072 726981740 /nfs/dbraw/zinc/98/17/40/726981740.db2.gz RQGVYPRYLUDOCP-UHFFFAOYSA-N -1 0 334.397 2.507 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(OCC)ccc2ccccc21)C(=O)[O-] ZINC000907669774 726987494 /nfs/dbraw/zinc/98/74/94/726987494.db2.gz RCHRHBSNOSRMIQ-HNNXBMFYSA-N -1 0 343.379 2.624 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000043531977 727063035 /nfs/dbraw/zinc/06/30/35/727063035.db2.gz JZQVZSQIQPXYNK-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC000908109918 727099221 /nfs/dbraw/zinc/09/92/21/727099221.db2.gz RREZIBYYKYPTBB-DZGCQCFKSA-N -1 0 339.395 2.892 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC000908109921 727099650 /nfs/dbraw/zinc/09/96/50/727099650.db2.gz RREZIBYYKYPTBB-ZFWWWQNUSA-N -1 0 339.395 2.892 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000732496362 727125596 /nfs/dbraw/zinc/12/55/96/727125596.db2.gz SGFDNIFNRLSCSS-NSHDSACASA-N -1 0 346.337 2.882 20 30 EFEDRM CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000732604459 727168586 /nfs/dbraw/zinc/16/85/86/727168586.db2.gz LHPLNJPRUAAMAN-UHFFFAOYSA-N -1 0 348.355 2.569 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cccs2)n1 ZINC000213868344 727197944 /nfs/dbraw/zinc/19/79/44/727197944.db2.gz LQUCMAOLGGJYFB-RXNFCKPNSA-N -1 0 332.406 2.946 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000908590108 727226812 /nfs/dbraw/zinc/22/68/12/727226812.db2.gz PNCXTNGFJQQDIY-CYBMUJFWSA-N -1 0 335.400 2.938 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000908624370 727227357 /nfs/dbraw/zinc/22/73/57/727227357.db2.gz WYJKOJBFFHHFFM-MRXNPFEDSA-N -1 0 330.384 2.744 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000908628697 727228145 /nfs/dbraw/zinc/22/81/45/727228145.db2.gz XSGJBGBJEPPQDM-GFCCVEGCSA-N -1 0 328.290 2.780 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909004946 727306385 /nfs/dbraw/zinc/30/63/85/727306385.db2.gz JFXZOGCAECOZMO-BBRMVZONSA-N -1 0 331.412 2.654 20 30 EFEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000909031411 727307237 /nfs/dbraw/zinc/30/72/37/727307237.db2.gz YVGVVFYLBSPWCP-LBPRGKRZSA-N -1 0 346.305 2.976 20 30 EFEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909030535 727307402 /nfs/dbraw/zinc/30/74/02/727307402.db2.gz LMQDPKPBXQSYCL-ZDUSSCGKSA-N -1 0 326.780 2.740 20 30 EFEDRM C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000909122879 727326251 /nfs/dbraw/zinc/32/62/51/727326251.db2.gz JTNGUACVMBJSKW-LBPRGKRZSA-N -1 0 341.205 2.840 20 30 EFEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129262241 727332599 /nfs/dbraw/zinc/33/25/99/727332599.db2.gz QJOLNHGUTYKLDF-CYBMUJFWSA-N -1 0 343.383 2.859 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1c(F)cccc1N1CCCC1)C(=O)[O-] ZINC000909148830 727336905 /nfs/dbraw/zinc/33/69/05/727336905.db2.gz HLQZULDKVLHFKU-HNNXBMFYSA-N -1 0 349.406 2.645 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000909185250 727339087 /nfs/dbraw/zinc/33/90/87/727339087.db2.gz KXHFNXGTLHLLTO-YOEHRIQHSA-N -1 0 328.368 2.646 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])OCC ZINC000909237843 727350861 /nfs/dbraw/zinc/35/08/61/727350861.db2.gz JBQWZUFADJYYOE-GOEBONIOSA-N -1 0 337.391 2.557 20 30 EFEDRM C#CCCCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000909254698 727353191 /nfs/dbraw/zinc/35/31/91/727353191.db2.gz KEFWBNHUNNXINE-INIZCTEOSA-N -1 0 342.395 2.508 20 30 EFEDRM C#CCC1(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000909302281 727361379 /nfs/dbraw/zinc/36/13/79/727361379.db2.gz LSMHYZRSVAFUFW-UHFFFAOYSA-N -1 0 343.423 2.783 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000909715757 727366664 /nfs/dbraw/zinc/36/66/64/727366664.db2.gz OHTZLFZZBDGJJF-GFCCVEGCSA-N -1 0 342.189 2.607 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(Cl)n2)n1 ZINC000909690366 727367316 /nfs/dbraw/zinc/36/73/16/727367316.db2.gz CONMQDCAEVTTDN-SNVBAGLBSA-N -1 0 349.799 2.842 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909772614 727373655 /nfs/dbraw/zinc/37/36/55/727373655.db2.gz SYFVTAZQVPQVBD-GXFFZTMASA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](c1cccnc1)C1CCCCC1)C(=O)[O-] ZINC000909771222 727373658 /nfs/dbraw/zinc/37/36/58/727373658.db2.gz LEFDYVYCGRYEJH-SJORKVTESA-N -1 0 346.427 2.518 20 30 EFEDRM C=CCOCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909757352 727375190 /nfs/dbraw/zinc/37/51/90/727375190.db2.gz VXUKXDQIXNBORB-CQSZACIVSA-N -1 0 332.183 2.612 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000909798299 727375740 /nfs/dbraw/zinc/37/57/40/727375740.db2.gz UBTFLCBBHJZKCG-UGSOOPFHSA-N -1 0 335.400 2.556 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])OCC ZINC000909819961 727383927 /nfs/dbraw/zinc/38/39/27/727383927.db2.gz LKYQIKRCLCRXCR-PVAVHDDUSA-N -1 0 333.428 2.806 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)OCC ZINC000909843765 727389006 /nfs/dbraw/zinc/38/90/06/727389006.db2.gz BCNINVSMGLAPNG-QFBILLFUSA-N -1 0 333.428 2.907 20 30 EFEDRM C#CC[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000910052442 727406063 /nfs/dbraw/zinc/40/60/63/727406063.db2.gz XWUPPNVVYMSJMJ-NSHDSACASA-N -1 0 344.194 2.745 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055126 727406130 /nfs/dbraw/zinc/40/61/30/727406130.db2.gz XUOCCUSHGZCRHA-MFKMUULPSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910054478 727406133 /nfs/dbraw/zinc/40/61/33/727406133.db2.gz PDOVTGQWZSTSPN-LXKVQUBZSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054533 727406144 /nfs/dbraw/zinc/40/61/44/727406144.db2.gz PNZYFVPYCVLYBI-XPSMFNQNSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054782 727406165 /nfs/dbraw/zinc/40/61/65/727406165.db2.gz SOPZOIVQFWAHEW-MFKMUULPSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000910054070 727406178 /nfs/dbraw/zinc/40/61/78/727406178.db2.gz IPNPQHCCMKQELY-MRXNPFEDSA-N -1 0 331.412 2.592 20 30 EFEDRM C#CC[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000910053920 727406196 /nfs/dbraw/zinc/40/61/96/727406196.db2.gz ZZCFUXJZQDBUOP-ZDUSSCGKSA-N -1 0 328.195 2.909 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910045942 727407955 /nfs/dbraw/zinc/40/79/55/727407955.db2.gz HSPNFMWTKHWTAZ-TZMCWYRMSA-N -1 0 341.329 2.867 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910048056 727408134 /nfs/dbraw/zinc/40/81/34/727408134.db2.gz CKRNVFPMURAOSA-CYBMUJFWSA-N -1 0 341.329 2.867 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)OCC ZINC000910102034 727412379 /nfs/dbraw/zinc/41/23/79/727412379.db2.gz JVVCVSHDPGDGIK-STQMWFEESA-N -1 0 338.429 2.876 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104728 727412721 /nfs/dbraw/zinc/41/27/21/727412721.db2.gz WXZHEKIDBJMKNW-DNVCBOLYSA-N -1 0 331.412 2.656 20 30 EFEDRM C=CCOCCCC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910104857 727412756 /nfs/dbraw/zinc/41/27/56/727412756.db2.gz YVJLMDCQZUVXNZ-IBGZPJMESA-N -1 0 331.412 2.658 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233600 727420784 /nfs/dbraw/zinc/42/07/84/727420784.db2.gz OKVODORZQPOUIJ-GTNSWQLSSA-N -1 0 339.363 2.845 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910292902 727430872 /nfs/dbraw/zinc/43/08/72/727430872.db2.gz SIVOCIHHNBVJHW-CHWSQXEVSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)[O-] ZINC000910293382 727430892 /nfs/dbraw/zinc/43/08/92/727430892.db2.gz YCHJXEHGVOIAIY-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])OCC ZINC000910513491 727446804 /nfs/dbraw/zinc/44/68/04/727446804.db2.gz PJOJIEKJCPUBCJ-CRAIPNDOSA-N -1 0 337.391 2.699 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910614548 727453383 /nfs/dbraw/zinc/45/33/83/727453383.db2.gz BAFAYDKOYBKQQR-ABKMUHTPSA-N -1 0 343.423 2.875 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000910914787 727471787 /nfs/dbraw/zinc/47/17/87/727471787.db2.gz KFSDTFSSJLFVIZ-LBPRGKRZSA-N -1 0 341.791 2.984 20 30 EFEDRM C=CCCC[C@@H](NC(=O)/C=C\c1ccc(O)c(OCC)c1)C(=O)[O-] ZINC000910915987 727471889 /nfs/dbraw/zinc/47/18/89/727471889.db2.gz SBFOORLUYPOTCK-RBJHHQRMSA-N -1 0 333.384 2.730 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000910917172 727471993 /nfs/dbraw/zinc/47/19/93/727471993.db2.gz NAYQCWPXBMYFHK-LSDHHAIUSA-N -1 0 338.835 2.868 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC2CC2)cc1OC)C(=O)[O-] ZINC000910916655 727472004 /nfs/dbraw/zinc/47/20/04/727472004.db2.gz HSPABGCKHZDGRM-HNNXBMFYSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000910919617 727472159 /nfs/dbraw/zinc/47/21/59/727472159.db2.gz YXEKOKPMTJWUIO-IAGOWNOFSA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2csnn2)cc1)C(=O)[O-] ZINC000910921784 727472173 /nfs/dbraw/zinc/47/21/73/727472173.db2.gz FYWPEBGYOBOKAT-ZDUSSCGKSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000910925675 727472399 /nfs/dbraw/zinc/47/23/99/727472399.db2.gz NIEHIALKVRWJJH-KBMXLJTQSA-N -1 0 347.411 2.733 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)C(=O)[O-] ZINC000910926886 727472459 /nfs/dbraw/zinc/47/24/59/727472459.db2.gz VLHFMEZUYAKJBP-INIZCTEOSA-N -1 0 341.411 2.550 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911068093 727493972 /nfs/dbraw/zinc/49/39/72/727493972.db2.gz WXZHCHYFSIJCQE-MFKMUULPSA-N -1 0 345.317 2.929 20 30 EFEDRM O=C([O-])C12CC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)(C1)C2 ZINC000911152485 727502487 /nfs/dbraw/zinc/50/24/87/727502487.db2.gz XEZXEYFTLIOVOF-UHFFFAOYSA-N -1 0 332.359 2.675 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C1(C#N)CCCC1 ZINC000911319872 727528295 /nfs/dbraw/zinc/52/82/95/727528295.db2.gz YBONWZNDICFAOY-CQSZACIVSA-N -1 0 341.411 2.506 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000911586259 727565860 /nfs/dbraw/zinc/56/58/60/727565860.db2.gz VDNPDYJBTVABLU-IUODEOHRSA-N -1 0 329.400 2.926 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccoc1CC(=O)[O-] ZINC000911745475 727591942 /nfs/dbraw/zinc/59/19/42/727591942.db2.gz CIJCGPNQQNJQEF-UHFFFAOYSA-N -1 0 345.399 2.903 20 30 EFEDRM C=CCC1(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)CCC1 ZINC000911769782 727596121 /nfs/dbraw/zinc/59/61/21/727596121.db2.gz ZERVCBPXJBZDTK-UHFFFAOYSA-N -1 0 334.441 2.841 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)CC(CC)CC ZINC000733062024 727637046 /nfs/dbraw/zinc/63/70/46/727637046.db2.gz UOGVWPFJKFHHKV-UHFFFAOYSA-N -1 0 325.430 2.747 20 30 EFEDRM CC(=O)Nc1ccc(O)c(C(C)=NNc2cccc(C(=O)[O-])c2)c1 ZINC000915936390 727642953 /nfs/dbraw/zinc/64/29/53/727642953.db2.gz VQDCNXJCYFWFAZ-UHFFFAOYSA-N -1 0 327.340 2.885 20 30 EFEDRM O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1 ZINC000915968598 727643803 /nfs/dbraw/zinc/64/38/03/727643803.db2.gz BYDBRMYFHKHALC-UHFFFAOYSA-N -1 0 337.679 2.703 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000916157039 727661740 /nfs/dbraw/zinc/66/17/40/727661740.db2.gz MDNJVKAWZRERIX-FPLPWBNLSA-N -1 0 327.292 2.954 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000916240725 727668467 /nfs/dbraw/zinc/66/84/67/727668467.db2.gz LMALRCHUUOIULG-UHFFFAOYSA-N -1 0 325.368 2.667 20 30 EFEDRM O=C([O-])c1cccc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000916255293 727669652 /nfs/dbraw/zinc/66/96/52/727669652.db2.gz PSJLKKDKEODPLD-UHFFFAOYSA-N -1 0 331.397 2.729 20 30 EFEDRM CCCCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OC ZINC000916283089 727671438 /nfs/dbraw/zinc/67/14/38/727671438.db2.gz YLROCBQZGGITOS-UHFFFAOYSA-N -1 0 331.376 2.519 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(OCC(=O)[O-])c1 ZINC000916269213 727672248 /nfs/dbraw/zinc/67/22/48/727672248.db2.gz YOKTVEBZJPCTOF-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM COc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000916269165 727672373 /nfs/dbraw/zinc/67/23/73/727672373.db2.gz VWCDEKLTDREEJC-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM Cc1cccc2cc(C=NNc3nnc(C)c(=O)[n-]3)c(Cl)nc12 ZINC000916284231 727673170 /nfs/dbraw/zinc/67/31/70/727673170.db2.gz RWFYEQFDFWYAQI-UHFFFAOYSA-N -1 0 328.763 2.842 20 30 EFEDRM CCCCCOc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000916303933 727675197 /nfs/dbraw/zinc/67/51/97/727675197.db2.gz VJUPCOQAIDZYDN-UHFFFAOYSA-N -1 0 332.429 2.687 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2cccc(Oc3ccccc3)c2)c1=O ZINC000916303765 727675275 /nfs/dbraw/zinc/67/52/75/727675275.db2.gz QUYAXMNKGLUDCT-UHFFFAOYSA-N -1 0 338.392 2.910 20 30 EFEDRM CC(C)CCNC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000916352441 727678635 /nfs/dbraw/zinc/67/86/35/727678635.db2.gz PBZOYEIOWVZKOQ-UHFFFAOYSA-N -1 0 344.824 2.798 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2ncnc3sccc32)cc1 ZINC000916368757 727679973 /nfs/dbraw/zinc/67/99/73/727679973.db2.gz ZNWPKBCSWYSVLS-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000916784560 727736322 /nfs/dbraw/zinc/73/63/22/727736322.db2.gz UJLNGRNSJYPZIY-OWBHPGMISA-N -1 0 343.404 2.982 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000916808973 727737080 /nfs/dbraw/zinc/73/70/80/727737080.db2.gz HQHHBKRESLRROE-UHFFFAOYSA-N -1 0 342.420 2.974 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916946955 727745323 /nfs/dbraw/zinc/74/53/23/727745323.db2.gz RAPTVQJSTMFXNB-LJQANCHMSA-N -1 0 330.387 2.933 20 30 EFEDRM Cc1ccn(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)n1 ZINC000917044149 727756568 /nfs/dbraw/zinc/75/65/68/727756568.db2.gz CBNVRUUUOFHBJW-QGZVFWFLSA-N -1 0 336.395 2.562 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000917044540 727756580 /nfs/dbraw/zinc/75/65/80/727756580.db2.gz JOZJGVJFARBZAW-ZDUSSCGKSA-N -1 0 341.323 2.722 20 30 EFEDRM CCCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000913094070 727776299 /nfs/dbraw/zinc/77/62/99/727776299.db2.gz FMBYOIAQPNWPEZ-UHFFFAOYSA-N -1 0 330.450 2.752 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000917434172 727807638 /nfs/dbraw/zinc/80/76/38/727807638.db2.gz MHEZZPHGBLAJIE-UHFFFAOYSA-N -1 0 347.458 2.700 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156327659 727904497 /nfs/dbraw/zinc/90/44/97/727904497.db2.gz PPWRBUCFOWOSEG-UHFFFAOYSA-N -1 0 347.367 2.639 20 30 EFEDRM C=C(C)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000183058270 727941234 /nfs/dbraw/zinc/94/12/34/727941234.db2.gz XJVOVSGVZPICNN-UHFFFAOYSA-N -1 0 336.335 2.596 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183129064 727968270 /nfs/dbraw/zinc/96/82/70/727968270.db2.gz DPTSQRUCXPIJBY-GFCCVEGCSA-N -1 0 344.392 2.981 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000045099840 727972642 /nfs/dbraw/zinc/97/26/42/727972642.db2.gz LEZGDYHYTAGYBV-UHFFFAOYSA-N -1 0 329.299 2.939 20 30 EFEDRM COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1C ZINC000045099854 727972676 /nfs/dbraw/zinc/97/26/76/727972676.db2.gz DUYFSOZWIDAXMB-UHFFFAOYSA-N -1 0 337.372 2.977 20 30 EFEDRM Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099725 727972678 /nfs/dbraw/zinc/97/26/78/727972678.db2.gz OIKQLTQVUFHBHW-UHFFFAOYSA-N -1 0 340.376 2.850 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000183136523 727975447 /nfs/dbraw/zinc/97/54/47/727975447.db2.gz XJKLJGMDTPGBSV-LBPRGKRZSA-N -1 0 344.392 2.981 20 30 EFEDRM CCCc1noc(CCCC(=O)[N-]S(=O)(=O)C2CCCCC2)n1 ZINC000058080369 728140375 /nfs/dbraw/zinc/14/03/75/728140375.db2.gz UMOABDDOOVZNDI-UHFFFAOYSA-N -1 0 343.449 2.964 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131021868 728143377 /nfs/dbraw/zinc/14/33/77/728143377.db2.gz VJQRFLFTBKGAGW-ZDUSSCGKSA-N -1 0 327.365 2.560 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000058113332 728144559 /nfs/dbraw/zinc/14/45/59/728144559.db2.gz OFUGLJUFNREKSN-UHFFFAOYSA-N -1 0 347.421 2.936 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cc(F)cc(F)c1 ZINC000058150074 728146654 /nfs/dbraw/zinc/14/66/54/728146654.db2.gz LDHKGNUWVLPYQH-UHFFFAOYSA-N -1 0 346.742 2.848 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2C)cc1 ZINC000046927155 728325290 /nfs/dbraw/zinc/32/52/90/728325290.db2.gz WEAAPCGFOMCOKJ-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM O=C(Nc1nnn[n-]1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000060380384 728356345 /nfs/dbraw/zinc/35/63/45/728356345.db2.gz NBBSQQQAAVRHNJ-OAHLLOKOSA-N -1 0 333.355 2.795 20 30 EFEDRM O=C(COCCc1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000060766343 728422776 /nfs/dbraw/zinc/42/27/76/728422776.db2.gz QOSKGGYPESURMN-UHFFFAOYSA-N -1 0 337.372 2.730 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000170709783 728467148 /nfs/dbraw/zinc/46/71/48/728467148.db2.gz AGLZDEXNOBZPOL-CYBMUJFWSA-N -1 0 345.399 2.720 20 30 EFEDRM CCSc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cn1 ZINC000171035513 728509710 /nfs/dbraw/zinc/50/97/10/728509710.db2.gz OFRNJGJYJQWTKU-OAHLLOKOSA-N -1 0 339.420 2.832 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000171327635 728530053 /nfs/dbraw/zinc/53/00/53/728530053.db2.gz ZCECFALLAMXYPF-CYBMUJFWSA-N -1 0 334.441 2.970 20 30 EFEDRM C#CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171352668 728530764 /nfs/dbraw/zinc/53/07/64/728530764.db2.gz FIZHBXCBYSROHQ-UHFFFAOYSA-N -1 0 348.811 2.504 20 30 EFEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1 ZINC000171366434 728532486 /nfs/dbraw/zinc/53/24/86/728532486.db2.gz SZXZTOLNSYHGEM-CYBMUJFWSA-N -1 0 327.409 2.966 20 30 EFEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1 ZINC000171366438 728532629 /nfs/dbraw/zinc/53/26/29/728532629.db2.gz SZXZTOLNSYHGEM-ZDUSSCGKSA-N -1 0 327.409 2.966 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1 ZINC000171566018 728541074 /nfs/dbraw/zinc/54/10/74/728541074.db2.gz URWNPMVQMZPORH-CQSZACIVSA-N -1 0 338.354 2.878 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000062194206 728561750 /nfs/dbraw/zinc/56/17/50/728561750.db2.gz MFCMAXZJVURQPM-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Br)cn1C(C)C ZINC000173982173 728644204 /nfs/dbraw/zinc/64/42/04/728644204.db2.gz WVZFMAXPWLITLJ-NSHDSACASA-N -1 0 340.221 2.679 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1NC(=O)CC(C)C ZINC000173984013 728644605 /nfs/dbraw/zinc/64/46/05/728644605.db2.gz KPNWTUPKXJJJTM-OAHLLOKOSA-N -1 0 343.427 2.827 20 30 EFEDRM COc1cccc2cc(C(=O)[N-]S(=O)(=O)c3cccnc3)oc21 ZINC000069573243 729006074 /nfs/dbraw/zinc/00/60/74/729006074.db2.gz UCLBGKQMLXBJII-UHFFFAOYSA-N -1 0 332.337 2.530 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(F)c2)cc1 ZINC000154968310 729015825 /nfs/dbraw/zinc/01/58/25/729015825.db2.gz CODWMHYFGTXLDT-KRWDZBQOSA-N -1 0 340.354 2.516 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(F)c2)cc1 ZINC000154968397 729015962 /nfs/dbraw/zinc/01/59/62/729015962.db2.gz CODWMHYFGTXLDT-QGZVFWFLSA-N -1 0 340.354 2.516 20 30 EFEDRM O=C(COCc1ccccc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000069597141 729032413 /nfs/dbraw/zinc/03/24/13/729032413.db2.gz WIVMPXPNOVBFNU-UHFFFAOYSA-N -1 0 337.372 2.829 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1COc2ccccc2C1 ZINC000069597322 729040038 /nfs/dbraw/zinc/04/00/38/729040038.db2.gz OOPLHIOGZOPBKA-AWEZNQCLSA-N -1 0 349.383 2.863 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(O)cc2)n1 ZINC000919527921 729040952 /nfs/dbraw/zinc/04/09/52/729040952.db2.gz POSDURVAXNQDCN-CQSZACIVSA-N -1 0 344.392 2.509 20 30 EFEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1)c1ccccc1 ZINC000069643523 729101286 /nfs/dbraw/zinc/10/12/86/729101286.db2.gz QFAVAHJMFXOIPH-MRXNPFEDSA-N -1 0 348.424 2.707 20 30 EFEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000069643482 729101333 /nfs/dbraw/zinc/10/13/33/729101333.db2.gz GXLFOJNJLHWYKU-UHFFFAOYSA-N -1 0 336.388 2.816 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920106831 729142971 /nfs/dbraw/zinc/14/29/71/729142971.db2.gz DRMOILIYAJQUQL-GFCCVEGCSA-N -1 0 329.356 2.552 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920106832 729143107 /nfs/dbraw/zinc/14/31/07/729143107.db2.gz DRMOILIYAJQUQL-LBPRGKRZSA-N -1 0 329.356 2.552 20 30 EFEDRM CCOC(=O)[C@@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000920175079 729157412 /nfs/dbraw/zinc/15/74/12/729157412.db2.gz SYIXFXBCXMGYIE-PUMYGXPMSA-N -1 0 342.351 2.894 20 30 EFEDRM O=C([O-])c1cccc(NN=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000920357992 729175562 /nfs/dbraw/zinc/17/55/62/729175562.db2.gz ZVZYHLSMNQRKAK-UHFFFAOYSA-N -1 0 343.295 2.510 20 30 EFEDRM Cc1nnc(NN=C2CCOc3c(Cl)c(Cl)ccc32)[n-]c1=O ZINC000920364550 729176386 /nfs/dbraw/zinc/17/63/86/729176386.db2.gz XUHHNNMRXVTDHK-UHFFFAOYSA-N -1 0 340.170 2.791 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3c2CCC3)n1 ZINC000920678974 729215947 /nfs/dbraw/zinc/21/59/47/729215947.db2.gz WAMSFHACONLVNR-HNNXBMFYSA-N -1 0 340.404 2.974 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(-n3cnnn3)cc2)c1[O-] ZINC000920942318 729245568 /nfs/dbraw/zinc/24/55/68/729245568.db2.gz YFUDRZVQFHHUNQ-UHFFFAOYSA-N -1 0 344.718 2.680 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)ccc2F)n1 ZINC000921255560 729279433 /nfs/dbraw/zinc/27/94/33/729279433.db2.gz SSKHOVOUCBNRQM-NSHDSACASA-N -1 0 336.319 2.763 20 30 EFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c2ccccc12 ZINC000064618783 729501557 /nfs/dbraw/zinc/50/15/57/729501557.db2.gz QSRWTJFNFOYKCG-UHFFFAOYSA-N -1 0 348.424 2.884 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000179735111 729619207 /nfs/dbraw/zinc/61/92/07/729619207.db2.gz OQZIDHPKOBMDQI-LSDHHAIUSA-N -1 0 341.411 2.631 20 30 EFEDRM Cc1ccc(C)n1-c1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1C ZINC000179740355 729619477 /nfs/dbraw/zinc/61/94/77/729619477.db2.gz CHSXFGQFLCNPBK-UHFFFAOYSA-N -1 0 335.367 2.657 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000068335872 729666272 /nfs/dbraw/zinc/66/62/72/729666272.db2.gz OYONHWOCTLAIQH-JTQLQIEISA-N -1 0 326.374 2.817 20 30 EFEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068490769 729705496 /nfs/dbraw/zinc/70/54/96/729705496.db2.gz IXCPBTYVNFNYMM-NSHDSACASA-N -1 0 344.389 2.586 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000180191375 729705752 /nfs/dbraw/zinc/70/57/52/729705752.db2.gz IPHXTLNMHIFCIH-UHFFFAOYSA-N -1 0 329.466 2.767 20 30 EFEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1C ZINC000180736199 729766851 /nfs/dbraw/zinc/76/68/51/729766851.db2.gz CYIUREBJSTYGOW-KRWDZBQOSA-N -1 0 336.391 2.951 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000776617949 939088771 /nfs/dbraw/zinc/08/87/71/939088771.db2.gz RTJNKJUJJTVBMP-HNNXBMFYSA-N -1 0 330.290 2.587 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000788314753 939148431 /nfs/dbraw/zinc/14/84/31/939148431.db2.gz JCSURNADFFWHJQ-CQSZACIVSA-N -1 0 331.278 2.784 20 30 EFEDRM C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000797725743 939188603 /nfs/dbraw/zinc/18/86/03/939188603.db2.gz YWMYFHKHFBGLKC-CQSZACIVSA-N -1 0 338.791 2.577 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746592 939266019 /nfs/dbraw/zinc/26/60/19/939266019.db2.gz YTEKVKZJEVUZOI-ZWNOBZJWSA-N -1 0 345.317 2.929 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001611128439 970903198 /nfs/dbraw/zinc/90/31/98/970903198.db2.gz IRTSCBANFVGVGX-NSHDSACASA-N -1 0 325.368 2.559 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001601002041 970904490 /nfs/dbraw/zinc/90/44/90/970904490.db2.gz PFWMXUFXEXPABY-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)c1 ZINC001611146392 970911545 /nfs/dbraw/zinc/91/15/45/970911545.db2.gz LELRVWKFWILJAC-IRXDYDNUSA-N -1 0 336.338 2.536 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001601049169 970923340 /nfs/dbraw/zinc/92/33/40/970923340.db2.gz VGEZKQGIRBZJGU-ROUUACIJSA-N -1 0 336.391 2.571 20 30 EFEDRM N#CC1(CS(=O)(=O)NC2(CC(=O)[O-])CCCCC2)CCCCC1 ZINC001601057876 970924788 /nfs/dbraw/zinc/92/47/88/970924788.db2.gz JIQILOOKNZEPHR-UHFFFAOYSA-N -1 0 342.461 2.557 20 30 EFEDRM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001611182691 970926770 /nfs/dbraw/zinc/92/67/70/970926770.db2.gz CFQURLBXNFSKPL-IBGZPJMESA-N -1 0 337.379 2.924 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC001601075134 970926897 /nfs/dbraw/zinc/92/68/97/970926897.db2.gz APLGJBFWYVXDBA-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)ccc12 ZINC001601085176 970929923 /nfs/dbraw/zinc/92/99/23/970929923.db2.gz OWNMVKXHQJUWDW-KRWDZBQOSA-N -1 0 345.358 2.864 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])nc2ccccc12 ZINC001601090155 970931216 /nfs/dbraw/zinc/93/12/16/970931216.db2.gz LZTVPXYNPOJVEZ-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1Cl ZINC001601100262 970931797 /nfs/dbraw/zinc/93/17/97/970931797.db2.gz KZWFTZZNCWOUKQ-GQCTYLIASA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cn2)cc1 ZINC001601110808 970934927 /nfs/dbraw/zinc/93/49/27/970934927.db2.gz HSNVICXGAVWRNP-LSDHHAIUSA-N -1 0 337.335 2.795 20 30 EFEDRM Cc1ccsc1-c1nsc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC001611215823 970940022 /nfs/dbraw/zinc/94/00/22/970940022.db2.gz RMXVRNYFQWSMBE-ZDUSSCGKSA-N -1 0 336.398 2.518 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001611272027 970965405 /nfs/dbraw/zinc/96/54/05/970965405.db2.gz PWEQDHGNENUNGK-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001611295853 970980260 /nfs/dbraw/zinc/98/02/60/970980260.db2.gz OOSMTBFLXMGLIW-QGZVFWFLSA-N -1 0 334.331 2.682 20 30 EFEDRM C#C[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001602673502 971240395 /nfs/dbraw/zinc/24/03/95/971240395.db2.gz VNUFHORNINJEQU-NOZJJQNGSA-N -1 0 326.755 2.516 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCC(=O)c1ccc(CCCC)cc1 ZINC001602682886 971271012 /nfs/dbraw/zinc/27/10/12/971271012.db2.gz WDMJWHBJYSLNTC-UHFFFAOYSA-N -1 0 329.396 2.539 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC001602684126 971278721 /nfs/dbraw/zinc/27/87/21/971278721.db2.gz QZXRMMAZBAUXOT-GFCCVEGCSA-N -1 0 328.343 2.769 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC001602684309 971279749 /nfs/dbraw/zinc/27/97/49/971279749.db2.gz VGIRQDKEACTMDW-LBPRGKRZSA-N -1 0 338.816 2.606 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001602684340 971280847 /nfs/dbraw/zinc/28/08/47/971280847.db2.gz WSJVSYDGYIIEKP-UHFFFAOYSA-N -1 0 338.407 2.847 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC001602686026 971285527 /nfs/dbraw/zinc/28/55/27/971285527.db2.gz NZECIFZRHCWNOY-UHFFFAOYSA-N -1 0 346.452 2.821 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001602692013 971299618 /nfs/dbraw/zinc/29/96/18/971299618.db2.gz AGAVOMNFKFICKG-UHFFFAOYSA-N -1 0 345.301 2.917 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001602723115 971392997 /nfs/dbraw/zinc/39/29/97/971392997.db2.gz NBUJWPRZTYLPRM-ZDUSSCGKSA-N -1 0 331.397 2.605 20 30 EFEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602730217 971406948 /nfs/dbraw/zinc/40/69/48/971406948.db2.gz XHHRJDWPNWNLEW-LBPRGKRZSA-N -1 0 332.791 2.695 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001602781940 971527347 /nfs/dbraw/zinc/52/73/47/971527347.db2.gz LGBQYFULCOSARW-CYBMUJFWSA-N -1 0 341.245 2.790 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001602781942 971527430 /nfs/dbraw/zinc/52/74/30/971527430.db2.gz LOKWPGVKNFPGEQ-GOSISDBHSA-N -1 0 349.350 2.568 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1ccc2cc(Cl)ccc21 ZINC001602782737 971530738 /nfs/dbraw/zinc/53/07/38/971530738.db2.gz ZDPQZWXRFZRPHX-INIZCTEOSA-N -1 0 334.759 2.842 20 30 EFEDRM C[C@H](C#N)CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CC1 ZINC001602786289 971532210 /nfs/dbraw/zinc/53/22/10/971532210.db2.gz JLBDEPAPDVJIKO-CYBMUJFWSA-N -1 0 331.416 2.705 20 30 EFEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)C(=O)[O-] ZINC001602797677 971569183 /nfs/dbraw/zinc/56/91/83/971569183.db2.gz URKFOGIJJDBDCY-UWVGGRQHSA-N -1 0 328.290 2.667 20 30 EFEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)C(=O)[O-] ZINC001602797687 971569299 /nfs/dbraw/zinc/56/92/99/971569299.db2.gz URKFOGIJJDBDCY-ZJUUUORDSA-N -1 0 328.290 2.667 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589674234 949972883 /nfs/dbraw/zinc/97/28/83/949972883.db2.gz HJOCCGNHZFOTCR-IAGOWNOFSA-N -1 0 344.411 2.567 20 30 EFEDRM CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H](C)c1ccc(C#N)cc1 ZINC001589700775 950235357 /nfs/dbraw/zinc/23/53/57/950235357.db2.gz WQPCTMRRUIXPLB-COXVUDFISA-N -1 0 344.411 2.738 20 30 EFEDRM CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589700776 950236253 /nfs/dbraw/zinc/23/62/53/950236253.db2.gz WQPCTMRRUIXPLB-JQFCIGGWSA-N -1 0 344.411 2.738 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1C#N ZINC001590957220 951021805 /nfs/dbraw/zinc/02/18/05/951021805.db2.gz DPZHUZYEMGMKBQ-UHFFFAOYSA-N -1 0 345.355 2.710 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001602859592 971711811 /nfs/dbraw/zinc/71/18/11/971711811.db2.gz NUQCQGPXYJHBDK-HNNXBMFYSA-N -1 0 328.412 2.986 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001602859593 971711984 /nfs/dbraw/zinc/71/19/84/971711984.db2.gz NUQCQGPXYJHBDK-OAHLLOKOSA-N -1 0 328.412 2.986 20 30 EFEDRM C#C[C@](C)(CC)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000384186737 971915308 /nfs/dbraw/zinc/91/53/08/971915308.db2.gz SRLHNNPIAATPLD-OAHLLOKOSA-N -1 0 337.422 2.680 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001589267877 953381125 /nfs/dbraw/zinc/38/11/25/953381125.db2.gz FUJYLFVNRUVHRM-GOEBONIOSA-N -1 0 344.411 2.677 20 30 EFEDRM CC[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-] ZINC001593619141 953518378 /nfs/dbraw/zinc/51/83/78/953518378.db2.gz IMLZAJGZCCGHCE-HNNXBMFYSA-N -1 0 340.339 2.730 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001593635562 953608418 /nfs/dbraw/zinc/60/84/18/953608418.db2.gz WIDJYZYKSNJAML-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589298523 953669276 /nfs/dbraw/zinc/66/92/76/953669276.db2.gz ATGMYMWZSRMNAL-WCQYABFASA-N -1 0 339.313 2.769 20 30 EFEDRM CON=Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000588508335 953738181 /nfs/dbraw/zinc/73/81/81/953738181.db2.gz KGSWPWSXFQQWQX-OAGGEKHMSA-N -1 0 330.384 2.525 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSCc1ccc(C#N)cc1 ZINC001589306685 953747482 /nfs/dbraw/zinc/74/74/82/953747482.db2.gz WBODAVOQBIAMIJ-IUODEOHRSA-N -1 0 332.425 2.503 20 30 EFEDRM CCn1c(N2CCC(C)(C(=O)[O-])CC2)nnc1C(C#N)(CC)CC ZINC001593659637 953785489 /nfs/dbraw/zinc/78/54/89/953785489.db2.gz GPFSGWFHHPUDQB-UHFFFAOYSA-N -1 0 333.436 2.570 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001593709048 954172177 /nfs/dbraw/zinc/17/21/77/954172177.db2.gz FQBJLXSZJSFLQB-HNNXBMFYSA-N -1 0 331.416 2.634 20 30 EFEDRM CC(C)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001602982743 972001779 /nfs/dbraw/zinc/00/17/79/972001779.db2.gz ASPDBEVQNULPAZ-VIFPVBQESA-N -1 0 329.183 2.952 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001589426748 954632050 /nfs/dbraw/zinc/63/20/50/954632050.db2.gz PDWFDWQRICZMSU-HNAYVOBHSA-N -1 0 342.395 2.795 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001589426746 954632414 /nfs/dbraw/zinc/63/24/14/954632414.db2.gz PDWFDWQRICZMSU-BEFAXECRSA-N -1 0 342.395 2.795 20 30 EFEDRM CCC(CC)(C(=O)[O-])c1noc(Cc2cccc(OCC#N)c2)n1 ZINC001589483349 954989066 /nfs/dbraw/zinc/98/90/66/954989066.db2.gz KZLFIEOBTJUYMQ-UHFFFAOYSA-N -1 0 329.356 2.705 20 30 EFEDRM CCC(CC)(C(=O)[O-])c1noc(Cc2ccc(OCC#N)cc2)n1 ZINC001589484095 954991423 /nfs/dbraw/zinc/99/14/23/954991423.db2.gz SVFXQMOGUFGDAV-UHFFFAOYSA-N -1 0 329.356 2.705 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1C#N ZINC001594503629 955344799 /nfs/dbraw/zinc/34/47/99/955344799.db2.gz FJKMKZDCYONHQC-WCQYABFASA-N -1 0 342.380 2.758 20 30 EFEDRM Cn1cc(-c2csc(NC(=O)c3ccc(C#N)o3)c2C(=O)[O-])cn1 ZINC001594523306 955472898 /nfs/dbraw/zinc/47/28/98/955472898.db2.gz WODWHYZIAYKTNV-UHFFFAOYSA-N -1 0 342.336 2.564 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C#N ZINC000820836722 955478747 /nfs/dbraw/zinc/47/87/47/955478747.db2.gz FKTORDUVWVFEAF-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594525254 955497061 /nfs/dbraw/zinc/49/70/61/955497061.db2.gz BSPQHLMEGKYIAB-UHFFFAOYSA-N -1 0 337.379 2.615 20 30 EFEDRM C[C@@](CNC(=O)Nc1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589055988 955695150 /nfs/dbraw/zinc/69/51/50/955695150.db2.gz FXKHXMSZRUUGSF-SFHVURJKSA-N -1 0 341.342 2.861 20 30 EFEDRM C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-] ZINC001589057604 955710236 /nfs/dbraw/zinc/71/02/36/955710236.db2.gz VOLZLLCLBMRUPI-LLVKDONJSA-N -1 0 340.339 2.588 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000848580255 955751492 /nfs/dbraw/zinc/75/14/92/955751492.db2.gz ZUPZCKXTEQGCTF-ZBFHGGJFSA-N -1 0 347.415 2.524 20 30 EFEDRM C[C@@](CNc1ccc([N+](=O)[O-])c(N)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589072196 955782401 /nfs/dbraw/zinc/78/24/01/955782401.db2.gz PPWCWXMJRXNHPH-KRWDZBQOSA-N -1 0 340.339 2.503 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001594568799 955860798 /nfs/dbraw/zinc/86/07/98/955860798.db2.gz PZPBTCLFIOGMNY-UHFFFAOYSA-N -1 0 332.385 2.601 20 30 EFEDRM C[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589084471 955891733 /nfs/dbraw/zinc/89/17/33/955891733.db2.gz CYZLQNFFFQZYCI-ODUHTRJVSA-N -1 0 347.386 2.660 20 30 EFEDRM C[C@@H](NC(=O)Cc1ccccc1CC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589098132 955992776 /nfs/dbraw/zinc/99/27/76/955992776.db2.gz ITQLCJNCVNWXSD-UHOFOFEASA-N -1 0 328.412 2.547 20 30 EFEDRM N#CCOc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001594609748 956194125 /nfs/dbraw/zinc/19/41/25/956194125.db2.gz JWODAELWGXSVPA-OAHLLOKOSA-N -1 0 345.399 2.518 20 30 EFEDRM N#CCn1c(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc2ccccc21 ZINC001594610831 956206671 /nfs/dbraw/zinc/20/66/71/956206671.db2.gz GUHZZVDHGUEDGM-UHFFFAOYSA-N -1 0 335.319 2.821 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N(CC(=O)[O-])CC2CC2)c(Cl)c1 ZINC001594616072 956236765 /nfs/dbraw/zinc/23/67/65/956236765.db2.gz GZHPHDMJJMUGLG-UHFFFAOYSA-N -1 0 327.167 2.802 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(Cl)c([N+](=O)[O-])c1 ZINC001594616371 956239748 /nfs/dbraw/zinc/23/97/48/956239748.db2.gz RAXONYCPKBJOCV-OAHLLOKOSA-N -1 0 349.730 2.869 20 30 EFEDRM N#Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ccn1 ZINC001594616257 956240443 /nfs/dbraw/zinc/24/04/43/956240443.db2.gz LVOCGJWRRNUUHM-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(N3CCCC[C@@H]3CC(=O)[O-])n2)c1 ZINC000886911803 956248658 /nfs/dbraw/zinc/24/86/58/956248658.db2.gz BXTIIYCFYBQARL-CQSZACIVSA-N -1 0 338.367 2.974 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2)ccn1 ZINC001594617656 956252386 /nfs/dbraw/zinc/25/23/86/956252386.db2.gz SDQKKHUNQFMGNO-MRXNPFEDSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001594618432 956264481 /nfs/dbraw/zinc/26/44/81/956264481.db2.gz OFSSXWIPFOSSGA-DLBZAZTESA-N -1 0 326.396 2.765 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594619362 956266491 /nfs/dbraw/zinc/26/64/91/956266491.db2.gz ACZSIUSKDSIXQI-CQSZACIVSA-N -1 0 333.363 2.626 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594618747 956267407 /nfs/dbraw/zinc/26/74/07/956267407.db2.gz ZCQSYGFLCYYEFQ-QGZVFWFLSA-N -1 0 347.374 2.896 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000899310887 956280175 /nfs/dbraw/zinc/28/01/75/956280175.db2.gz IFOBGQPVHPSZAC-HNNXBMFYSA-N -1 0 330.384 2.950 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899311146 956280594 /nfs/dbraw/zinc/28/05/94/956280594.db2.gz JSAFUMRFIXSCMT-AWEZNQCLSA-N -1 0 330.384 2.950 20 30 EFEDRM N#Cc1ccc(N2CCC(C(=O)OCCCCC(=O)[O-])CC2)c(F)c1 ZINC001594621889 956288199 /nfs/dbraw/zinc/28/81/99/956288199.db2.gz UIELBCFQOBROSK-UHFFFAOYSA-N -1 0 348.374 2.712 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001594626450 956318483 /nfs/dbraw/zinc/31/84/83/956318483.db2.gz BNAHRCUGFGZKES-PBHICJAKSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594627268 956322716 /nfs/dbraw/zinc/32/27/16/956322716.db2.gz OIRVYEXUCQSWRZ-QGZVFWFLSA-N -1 0 335.363 2.743 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594627826 956326329 /nfs/dbraw/zinc/32/63/29/956326329.db2.gz XBFQHUGKKYKJSR-QGZVFWFLSA-N -1 0 335.363 2.994 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594628637 956333773 /nfs/dbraw/zinc/33/37/73/956333773.db2.gz HNZLTPZWNGYLMT-LSDHHAIUSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cn2)c1 ZINC001594628868 956338126 /nfs/dbraw/zinc/33/81/26/956338126.db2.gz SSWKQNAHRMWBHK-UHFFFAOYSA-N -1 0 337.335 2.939 20 30 EFEDRM C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC000901693578 956419867 /nfs/dbraw/zinc/41/98/67/956419867.db2.gz CIOOZNMPKJTKSL-YOEHRIQHSA-N -1 0 340.423 2.939 20 30 EFEDRM C[C@]1(C#N)CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001589181497 956524010 /nfs/dbraw/zinc/52/40/10/956524010.db2.gz JZRBUJKSKIVQNU-RDTXWAMCSA-N -1 0 331.416 2.706 20 30 EFEDRM COc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1C#N ZINC000902693334 956771857 /nfs/dbraw/zinc/77/18/57/956771857.db2.gz SUBOPACPWLCSLE-UHFFFAOYSA-N -1 0 330.384 2.608 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1C1CC1 ZINC000902702984 956776586 /nfs/dbraw/zinc/77/65/86/956776586.db2.gz VXGSTPRRBHZKOK-ZFWWWQNUSA-N -1 0 328.368 2.644 20 30 EFEDRM COCC[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001593990904 956843961 /nfs/dbraw/zinc/84/39/61/956843961.db2.gz JTCBGMOLLDPNTH-UGSOOPFHSA-N -1 0 330.384 2.548 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)c1 ZINC000903673641 956853753 /nfs/dbraw/zinc/85/37/53/956853753.db2.gz BNWNDIJLNLKWIO-OAHLLOKOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)c1 ZINC000903673640 956854100 /nfs/dbraw/zinc/85/41/00/956854100.db2.gz BNWNDIJLNLKWIO-HNNXBMFYSA-N -1 0 328.393 2.891 20 30 EFEDRM COC(=O)c1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000006432779 956876918 /nfs/dbraw/zinc/87/69/18/956876918.db2.gz XPLDZFWDURAJDL-NYYWCZLTSA-N -1 0 340.331 2.833 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CSCC#N ZINC000389438158 972224677 /nfs/dbraw/zinc/22/46/77/972224677.db2.gz SINSVDMNUDNUCA-UHFFFAOYSA-N -1 0 343.202 2.651 20 30 EFEDRM C[C@H]1/C(=C\c2ccc(N3CCC(C(=O)[O-])CC3)o2)C(=O)c2nccn21 ZINC001589257698 957013021 /nfs/dbraw/zinc/01/30/21/957013021.db2.gz BYJNJPHEIXDVLW-IWQAVIMZSA-N -1 0 341.367 2.618 20 30 EFEDRM C[C@H]1/C(=C/c2ccc(N3CCC(C(=O)[O-])CC3)o2)C(=O)c2nccn21 ZINC001589257693 957013999 /nfs/dbraw/zinc/01/39/99/957013999.db2.gz BYJNJPHEIXDVLW-HKLRHMNMSA-N -1 0 341.367 2.618 20 30 EFEDRM O=C([O-])c1cccc(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 ZINC000013337189 957026914 /nfs/dbraw/zinc/02/69/14/957026914.db2.gz XROUTBRMEDBPKU-UHFFFAOYSA-N -1 0 326.268 2.711 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013388551 957040604 /nfs/dbraw/zinc/04/06/04/957040604.db2.gz CFRBJXOYZJOEBL-FZMZJTMJSA-N -1 0 344.392 2.719 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1 ZINC000926068660 957139638 /nfs/dbraw/zinc/13/96/38/957139638.db2.gz FNCYASHWLWUVKM-NWDGAFQWSA-N -1 0 333.775 2.786 20 30 EFEDRM C=CCCSCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001263070710 957289407 /nfs/dbraw/zinc/28/94/07/957289407.db2.gz GALHDAGMSFBCFF-OAHLLOKOSA-N -1 0 334.441 2.689 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594274036 957700528 /nfs/dbraw/zinc/70/05/28/957700528.db2.gz MFPDHQZEGGMDBR-FQEVSTJZSA-N -1 0 336.391 2.947 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603199638 972304011 /nfs/dbraw/zinc/30/40/11/972304011.db2.gz IMZMVIUATQMYHE-SJCJKPOMSA-N -1 0 340.354 2.818 20 30 EFEDRM C=C(C)[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001340553719 957928985 /nfs/dbraw/zinc/92/89/85/957928985.db2.gz NZSSFRAXKIAZDD-YGRLFVJLSA-N -1 0 326.343 2.992 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588371974 957965018 /nfs/dbraw/zinc/96/50/18/957965018.db2.gz AWMXSAFUHOGZEN-XJKSGUPXSA-N -1 0 332.375 2.786 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588387375 957987458 /nfs/dbraw/zinc/98/74/58/957987458.db2.gz INZXBPFURPOASW-MRVPVSSYSA-N -1 0 325.162 2.633 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341432182 957993450 /nfs/dbraw/zinc/99/34/50/957993450.db2.gz JZISTWRUEKBMOA-VZEFYGNVSA-N -1 0 344.411 2.580 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001588395014 958035764 /nfs/dbraw/zinc/03/57/64/958035764.db2.gz AWGHMIOALMSLDB-RRQGHBQHSA-N -1 0 343.423 2.954 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001588395037 958035829 /nfs/dbraw/zinc/03/58/29/958035829.db2.gz BFENPQGEYZCSHR-LJQANCHMSA-N -1 0 329.396 2.806 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 ZINC001588407382 958099439 /nfs/dbraw/zinc/09/94/39/958099439.db2.gz LHJJDXCDWQQUFR-OAHLLOKOSA-N -1 0 346.427 2.524 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC001588408372 958109537 /nfs/dbraw/zinc/10/95/37/958109537.db2.gz JZAPGPNUUYTLHU-UHFFFAOYSA-N -1 0 343.210 2.655 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001588408840 958117503 /nfs/dbraw/zinc/11/75/03/958117503.db2.gz HVHCIEXFOJKVOW-UHFFFAOYSA-N -1 0 344.411 2.628 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001588409086 958122904 /nfs/dbraw/zinc/12/29/04/958122904.db2.gz BNRIRPXGBXHAGE-IRXDYDNUSA-N -1 0 328.412 2.517 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C)cc1OCCC(C)C ZINC001588409217 958124135 /nfs/dbraw/zinc/12/41/35/958124135.db2.gz SDJSPQVPIMKBRP-UHFFFAOYSA-N -1 0 346.427 2.649 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001588409808 958132566 /nfs/dbraw/zinc/13/25/66/958132566.db2.gz KRWKWNMDGXUQRA-CYBMUJFWSA-N -1 0 342.317 2.718 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC001588412762 958153082 /nfs/dbraw/zinc/15/30/82/958153082.db2.gz JSYHXQQSSIDIMU-UHFFFAOYSA-N -1 0 331.397 2.971 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001588417452 958172661 /nfs/dbraw/zinc/17/26/61/958172661.db2.gz PBKYKVQCLRHXIT-UHFFFAOYSA-N -1 0 333.344 2.501 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC001588417488 958174473 /nfs/dbraw/zinc/17/44/73/958174473.db2.gz QWIBLERTKONRJN-UHFFFAOYSA-N -1 0 343.404 2.892 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H](C)C(=O)[O-] ZINC001594327976 958189286 /nfs/dbraw/zinc/18/92/86/958189286.db2.gz BPWIPKYCVHLTGV-NSHDSACASA-N -1 0 325.324 2.713 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)C(=O)[O-] ZINC001594328015 958189770 /nfs/dbraw/zinc/18/97/70/958189770.db2.gz FKFLCDUMBMVGOK-NSHDSACASA-N -1 0 325.324 2.713 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001357175930 958192082 /nfs/dbraw/zinc/19/20/82/958192082.db2.gz XROKJZVEILHFIC-GJZGRUSLSA-N -1 0 334.441 2.908 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=S)Nc1ccc(SC(F)F)cc1 ZINC001588419896 958197250 /nfs/dbraw/zinc/19/72/50/958197250.db2.gz GPBWSGHEJHNYRK-UHFFFAOYSA-N -1 0 330.381 2.718 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594074959 958209308 /nfs/dbraw/zinc/20/93/08/958209308.db2.gz GOXGIWYAGYMUFB-ZDUSSCGKSA-N -1 0 331.372 2.818 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1ccnc2c(Br)cccc12 ZINC001588425464 958226161 /nfs/dbraw/zinc/22/61/61/958226161.db2.gz SQCSKWHJNRYNCF-UHFFFAOYSA-N -1 0 333.185 2.517 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588433278 958294076 /nfs/dbraw/zinc/29/40/76/958294076.db2.gz IHUWNMDFCAGDLF-AWEZNQCLSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588433374 958295384 /nfs/dbraw/zinc/29/53/84/958295384.db2.gz KQCJQGPAUCOKMW-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588433544 958298849 /nfs/dbraw/zinc/29/88/49/958298849.db2.gz OVSZUIMYZUYVAW-CYBMUJFWSA-N -1 0 348.374 2.946 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001588434136 958303018 /nfs/dbraw/zinc/30/30/18/958303018.db2.gz ZPUQTCMHZGRYPM-GOSISDBHSA-N -1 0 348.374 2.946 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001594342881 958310096 /nfs/dbraw/zinc/31/00/96/958310096.db2.gz AQUYLBNNPRZTLU-BJUMAFHYSA-N -1 0 343.423 2.986 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001594342921 958311156 /nfs/dbraw/zinc/31/11/56/958311156.db2.gz FBSGRLAODNKNCH-ZGKFYVQTSA-N -1 0 349.386 2.945 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588439411 958318851 /nfs/dbraw/zinc/31/88/51/958318851.db2.gz BHXNHPZVQRMMTP-DLBZAZTESA-N -1 0 331.412 2.861 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC001588440087 958328078 /nfs/dbraw/zinc/32/80/78/958328078.db2.gz YIBJYKNBFATFFE-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603226732 972342566 /nfs/dbraw/zinc/34/25/66/972342566.db2.gz CACYDEQGKSEETD-LEWSCRJBSA-N -1 0 349.456 2.897 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588453513 958439912 /nfs/dbraw/zinc/43/99/12/958439912.db2.gz ZIQPUFXXHSMJFF-GVDBMIGSSA-N -1 0 331.412 2.560 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1 ZINC001573317377 958449734 /nfs/dbraw/zinc/44/97/34/958449734.db2.gz AIQWIMDVADFAFE-UHFFFAOYSA-N -1 0 349.346 2.687 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001573317505 958451141 /nfs/dbraw/zinc/45/11/41/958451141.db2.gz BYAOHVDMGZGGFN-KYOSRNDESA-N -1 0 334.803 2.767 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@H](C)C(=O)[O-] ZINC001588458933 958468797 /nfs/dbraw/zinc/46/87/97/958468797.db2.gz XNVVTFGPROPYSJ-CHWSQXEVSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588460158 958472841 /nfs/dbraw/zinc/47/28/41/958472841.db2.gz YCCAJPPHAQKEDG-SJORKVTESA-N -1 0 347.411 2.793 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001573319539 958473021 /nfs/dbraw/zinc/47/30/21/958473021.db2.gz YBPMVLOAEVKBIM-OLZOCXBDSA-N -1 0 326.179 2.643 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2ccccc2cc1OC(F)F ZINC001573320175 958476612 /nfs/dbraw/zinc/47/66/12/958476612.db2.gz ICGJQMZGYHXVDN-UHFFFAOYSA-N -1 0 333.290 2.601 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001573320288 958476864 /nfs/dbraw/zinc/47/68/64/958476864.db2.gz JPUOQFMPRYTMQR-UHFFFAOYSA-N -1 0 340.813 2.685 20 30 EFEDRM C#CCN(CC(=O)[O-])[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001573320846 958478217 /nfs/dbraw/zinc/47/82/17/958478217.db2.gz PKMVKOVNSDJNAI-SFHVURJKSA-N -1 0 347.374 2.846 20 30 EFEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001573327098 958483989 /nfs/dbraw/zinc/48/39/89/958483989.db2.gz CVXZGIKPJASRGA-DTWKUNHWSA-N -1 0 339.438 2.773 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001588464196 958487911 /nfs/dbraw/zinc/48/79/11/958487911.db2.gz HKWMWTVKDRLVCD-UHFFFAOYSA-N -1 0 336.351 2.872 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001573328126 958496838 /nfs/dbraw/zinc/49/68/38/958496838.db2.gz BHPSROIRHUEKCT-HIFRSBDPSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588465358 958501454 /nfs/dbraw/zinc/50/14/54/958501454.db2.gz FKISWNCVOVSJIN-FPLPWBNLSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588469671 958518302 /nfs/dbraw/zinc/51/83/02/958518302.db2.gz SWNJKZBWLNDBQP-GJZGRUSLSA-N -1 0 338.363 2.689 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594114137 958544038 /nfs/dbraw/zinc/54/40/38/958544038.db2.gz SKMGLIMJZNSZQE-KUHUBIRLSA-N -1 0 344.411 2.861 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC001573362345 958598213 /nfs/dbraw/zinc/59/82/13/958598213.db2.gz ADUXVJIBHHKZHG-CYBMUJFWSA-N -1 0 348.708 2.980 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573366132 958627314 /nfs/dbraw/zinc/62/73/14/958627314.db2.gz YUINNQFCLUQVAB-SECBINFHSA-N -1 0 330.369 2.612 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573378768 958659520 /nfs/dbraw/zinc/65/95/20/958659520.db2.gz SWNJKZBWLNDBQP-CABCVRRESA-N -1 0 338.363 2.689 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001588534363 958919605 /nfs/dbraw/zinc/91/96/05/958919605.db2.gz FHYJGHSFNZKMSO-KRWDZBQOSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC001588538896 958945957 /nfs/dbraw/zinc/94/59/57/958945957.db2.gz QACXVYIVPBQYJC-YMTOWFKASA-N -1 0 326.805 2.900 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001588539111 958951838 /nfs/dbraw/zinc/95/18/38/958951838.db2.gz XZWMPHINHKNEBV-KRWDZBQOSA-N -1 0 345.786 2.641 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001588539092 958951993 /nfs/dbraw/zinc/95/19/93/958951993.db2.gz WYQRRFSIUQCNLG-OAHLLOKOSA-N -1 0 340.301 2.595 20 30 EFEDRM CC#CCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000158526697 959095246 /nfs/dbraw/zinc/09/52/46/959095246.db2.gz PXRVWWOATIPZFH-UHFFFAOYSA-N -1 0 325.162 2.682 20 30 EFEDRM C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2ccccc2s1 ZINC001573591831 959400427 /nfs/dbraw/zinc/40/04/27/959400427.db2.gz NVJWPUAPONWOJD-QLJPJBMISA-N -1 0 331.397 2.521 20 30 EFEDRM Cc1nc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)sc1SCC#N ZINC001594455977 959416541 /nfs/dbraw/zinc/41/65/41/959416541.db2.gz DGYAMQFGGWGDIG-ZDUSSCGKSA-N -1 0 325.415 2.507 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-] ZINC001588650141 959755533 /nfs/dbraw/zinc/75/55/33/959755533.db2.gz AKBHMCZFGKVLPU-HNNXBMFYSA-N -1 0 332.400 2.527 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[C@H]1C(=O)[O-] ZINC001573748504 960519372 /nfs/dbraw/zinc/51/93/72/960519372.db2.gz GSHFJVMAWGEDSJ-VMGRFDJRSA-N -1 0 341.411 2.688 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[C@H]1C(=O)[O-] ZINC001573748502 960520791 /nfs/dbraw/zinc/52/07/91/960520791.db2.gz GSHFJVMAWGEDSJ-SRCQZFHVSA-N -1 0 341.411 2.688 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001603286756 972525781 /nfs/dbraw/zinc/52/57/81/972525781.db2.gz KXUSJWALLBKGQZ-GFCCVEGCSA-N -1 0 332.425 2.676 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574307658 960751585 /nfs/dbraw/zinc/75/15/85/960751585.db2.gz HNMOHRKFCFUAPR-GOSISDBHSA-N -1 0 340.354 2.799 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC001573821638 960962431 /nfs/dbraw/zinc/96/24/31/960962431.db2.gz VLIXTOCWQLEUIB-SFHVURJKSA-N -1 0 325.368 2.757 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C#N ZINC001588734782 961129785 /nfs/dbraw/zinc/12/97/85/961129785.db2.gz ZKRWGSHFBXAKKB-MJHDQNEOSA-N -1 0 331.372 2.720 20 30 EFEDRM CCCOc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OC ZINC001573860600 961170308 /nfs/dbraw/zinc/17/03/08/961170308.db2.gz VNZXVZYPJYZEIJ-XIKOKIGWSA-N -1 0 348.399 2.666 20 30 EFEDRM CC(C)(NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001588791364 961364821 /nfs/dbraw/zinc/36/48/21/961364821.db2.gz RXFZGCXYZFKPSI-UHFFFAOYSA-N -1 0 338.363 2.687 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)CCCCC#N)c(C(=O)[O-])c1C ZINC001573905918 961456786 /nfs/dbraw/zinc/45/67/86/961456786.db2.gz WAJBHHGAWBPHRD-UHFFFAOYSA-N -1 0 338.385 2.954 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573920359 961529780 /nfs/dbraw/zinc/52/97/80/961529780.db2.gz MSAPDIJWFPCORU-UHFFFAOYSA-N -1 0 339.351 2.977 20 30 EFEDRM CC[S@](=O)(=NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1 ZINC001573929376 961568490 /nfs/dbraw/zinc/56/84/90/961568490.db2.gz ZLBGEWHHQMSEMP-JLCFBVMHSA-N -1 0 342.804 2.718 20 30 EFEDRM CC[S@@](=O)(=NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1 ZINC001573929375 961568716 /nfs/dbraw/zinc/56/87/16/961568716.db2.gz ZLBGEWHHQMSEMP-FPTDNZKUSA-N -1 0 342.804 2.718 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(=O)[O-] ZINC001573936955 961607132 /nfs/dbraw/zinc/60/71/32/961607132.db2.gz IQNZLBPNVGUVDE-BONVTDFDSA-N -1 0 332.404 2.554 20 30 EFEDRM CC(C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)C(=O)[O-] ZINC001588821612 961630155 /nfs/dbraw/zinc/63/01/55/961630155.db2.gz PGSALXFHTNWWNU-INIZCTEOSA-N -1 0 331.416 2.835 20 30 EFEDRM N#C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Br)c1 ZINC001574474024 961635644 /nfs/dbraw/zinc/63/56/44/961635644.db2.gz IMHQYENUBYPUNX-GFCCVEGCSA-N -1 0 349.184 2.551 20 30 EFEDRM N#Cc1cc(F)c(C(F)(F)F)cc1Nc1cnn(CC(=O)[O-])c1 ZINC001574486409 961685267 /nfs/dbraw/zinc/68/52/67/961685267.db2.gz XBALQKNTCNGPKA-UHFFFAOYSA-N -1 0 328.225 2.741 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588835058 961758858 /nfs/dbraw/zinc/75/88/58/961758858.db2.gz BKGCCGYGWOXBIX-OAHLLOKOSA-N -1 0 332.400 2.579 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588835467 961764203 /nfs/dbraw/zinc/76/42/03/961764203.db2.gz JPVJMMSZOXAMJD-KDOFPFPSSA-N -1 0 344.411 2.675 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001571170620 962045739 /nfs/dbraw/zinc/04/57/39/962045739.db2.gz HNKMIEXCVLPMDK-GOSISDBHSA-N -1 0 326.327 2.817 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001571172878 962062035 /nfs/dbraw/zinc/06/20/35/962062035.db2.gz HUDNVRYWUDGDFL-UHFFFAOYSA-N -1 0 326.396 2.798 20 30 EFEDRM N#CCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001571174015 962078562 /nfs/dbraw/zinc/07/85/62/962078562.db2.gz CRADEEOSSYETLO-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001571174115 962080957 /nfs/dbraw/zinc/08/09/57/962080957.db2.gz HQQVCAZXXRCICF-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccncc1 ZINC001341245072 962119320 /nfs/dbraw/zinc/11/93/20/962119320.db2.gz UWIFUQITNVUYBJ-GDBMZVCRSA-N -1 0 331.416 2.985 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccncc1 ZINC001341245078 962119412 /nfs/dbraw/zinc/11/94/12/962119412.db2.gz UWIFUQITNVUYBJ-ZBFHGGJFSA-N -1 0 331.416 2.985 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc(C#N)c2)cc1 ZINC001571191565 962263625 /nfs/dbraw/zinc/26/36/25/962263625.db2.gz VWRCCMOTSYLCFZ-AWEZNQCLSA-N -1 0 330.365 2.574 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588910875 962293857 /nfs/dbraw/zinc/29/38/57/962293857.db2.gz IPYMFLBRXRBCPS-CYBMUJFWSA-N -1 0 333.436 2.642 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001571215875 962497090 /nfs/dbraw/zinc/49/70/90/962497090.db2.gz BOCJTMCHXPDKGB-ZETCQYMHSA-N -1 0 334.332 2.735 20 30 EFEDRM Cc1cc(C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])ncc1C#N ZINC001571223991 962567562 /nfs/dbraw/zinc/56/75/62/962567562.db2.gz MVPLGNNGZKLDFV-YVEFUNNKSA-N -1 0 335.363 2.554 20 30 EFEDRM C#CCCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001573301429 962625897 /nfs/dbraw/zinc/62/58/97/962625897.db2.gz BDHSLFXIILWOPK-GOSISDBHSA-N -1 0 337.375 2.687 20 30 EFEDRM C#CC(C)(C)N(C)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001573301671 962634027 /nfs/dbraw/zinc/63/40/27/962634027.db2.gz CMLTUPPZVWNBOW-UHFFFAOYSA-N -1 0 331.393 2.570 20 30 EFEDRM C#CCN(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001573301742 962636296 /nfs/dbraw/zinc/63/62/96/962636296.db2.gz JMMDXMOAEOIHCX-UHFFFAOYSA-N -1 0 329.381 2.534 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccccc1C(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC001573303577 962679195 /nfs/dbraw/zinc/67/91/95/962679195.db2.gz PNLLRGZWDVZEQW-SFHVURJKSA-N -1 0 349.386 2.741 20 30 EFEDRM C#CCC1(NC(=O)NCCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001573303756 962681867 /nfs/dbraw/zinc/68/18/67/962681867.db2.gz RXBBRWQYWJEYRY-UHFFFAOYSA-N -1 0 328.412 2.953 20 30 EFEDRM C#CCSCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001573311944 962717370 /nfs/dbraw/zinc/71/73/70/962717370.db2.gz KTNKRYKFPNNMRL-UHFFFAOYSA-N -1 0 332.406 2.813 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001573312518 962723164 /nfs/dbraw/zinc/72/31/64/962723164.db2.gz WJIJSDAAXLOGCH-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C#CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001573312810 962725976 /nfs/dbraw/zinc/72/59/76/962725976.db2.gz ZHTOXKNBJQYVFH-XLIONFOSSA-N -1 0 335.359 2.896 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)[O-] ZINC001573320701 962750614 /nfs/dbraw/zinc/75/06/14/962750614.db2.gz DVBSEGSWIBNUEA-AWEZNQCLSA-N -1 0 333.775 2.879 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)C(=O)[O-] ZINC001573321672 962759976 /nfs/dbraw/zinc/75/99/76/962759976.db2.gz PIJDZITYZQEGQD-OAHLLOKOSA-N -1 0 347.802 2.734 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001573321551 962760792 /nfs/dbraw/zinc/76/07/92/962760792.db2.gz OSNHTBZYGHVFEY-AWEZNQCLSA-N -1 0 333.384 2.791 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588989667 962800976 /nfs/dbraw/zinc/80/09/76/962800976.db2.gz PVLPXBMEYXUGQZ-JTQLQIEISA-N -1 0 344.396 2.765 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001517450347 962806894 /nfs/dbraw/zinc/80/68/94/962806894.db2.gz YKVYEWLZMQDZJV-XCLFUZPHSA-N -1 0 334.375 2.670 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccco1)c1ccccc1OC ZINC001573331956 962820071 /nfs/dbraw/zinc/82/00/71/962820071.db2.gz BLYZATOZVLUTHU-KRWDZBQOSA-N -1 0 329.352 2.915 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC001573332042 962822805 /nfs/dbraw/zinc/82/28/05/962822805.db2.gz HEGHIQFQULDNHU-UHFFFAOYSA-N -1 0 328.368 2.955 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC001573332374 962831497 /nfs/dbraw/zinc/83/14/97/962831497.db2.gz IEENTNGUSWUXFD-UHFFFAOYSA-N -1 0 341.411 2.585 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC001573332534 962834951 /nfs/dbraw/zinc/83/49/51/962834951.db2.gz LBTRSMNEGIPFQL-UHFFFAOYSA-N -1 0 332.331 2.560 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001573332598 962836611 /nfs/dbraw/zinc/83/66/11/962836611.db2.gz PEBOVSXWDNYVOX-ZDUSSCGKSA-N -1 0 336.819 2.798 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC001573332637 962838652 /nfs/dbraw/zinc/83/86/52/962838652.db2.gz PYXBJMJSRKUITA-GFCCVEGCSA-N -1 0 337.173 2.551 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC001573332994 962848527 /nfs/dbraw/zinc/84/85/27/962848527.db2.gz VEIFOXFYAZMILY-LBPRGKRZSA-N -1 0 332.375 2.786 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001573333316 962856925 /nfs/dbraw/zinc/85/69/25/962856925.db2.gz ZSINZUYXEJPMAH-UHFFFAOYSA-N -1 0 338.791 2.526 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC001573337016 962863833 /nfs/dbraw/zinc/86/38/33/962863833.db2.gz KLNYYBCZZUHHAN-UHFFFAOYSA-N -1 0 342.351 2.569 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001573346644 962942670 /nfs/dbraw/zinc/94/26/70/962942670.db2.gz FOEMRVNHXQPLAS-LURJTMIESA-N -1 0 347.140 2.914 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001573351382 962978614 /nfs/dbraw/zinc/97/86/14/962978614.db2.gz SMBKDBKDFQKKTE-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001573353483 963002298 /nfs/dbraw/zinc/00/22/98/963002298.db2.gz WTRBFRMKFXMQSF-NHYWBVRUSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)C(=O)[O-] ZINC001573356471 963008025 /nfs/dbraw/zinc/00/80/25/963008025.db2.gz BZGOCYRDYFGOAZ-GFCCVEGCSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001573357053 963013669 /nfs/dbraw/zinc/01/36/69/963013669.db2.gz JARRJSOLFRIURD-CYBMUJFWSA-N -1 0 338.335 2.592 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCc1nc(C2CCCC2)no1)C(=O)[O-] ZINC001573357625 963018774 /nfs/dbraw/zinc/01/87/74/963018774.db2.gz PJBAKRVESLAHMQ-ZDUSSCGKSA-N -1 0 335.404 2.586 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)C(=O)[O-] ZINC001573367147 963064167 /nfs/dbraw/zinc/06/41/67/963064167.db2.gz SIPXZJUFDJVQPH-AWEZNQCLSA-N -1 0 348.399 2.576 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001573368145 963074589 /nfs/dbraw/zinc/07/45/89/963074589.db2.gz BEIDLJZTXCPWOS-WMLDXEAASA-N -1 0 333.428 2.761 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001573368840 963088199 /nfs/dbraw/zinc/08/81/99/963088199.db2.gz SHOARFIODNHVDM-NTMALXAHSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001573369125 963092229 /nfs/dbraw/zinc/09/22/29/963092229.db2.gz OWPNVUQAOFBDKV-LIRRHRJNSA-N -1 0 331.412 2.963 20 30 EFEDRM C#CCN(CC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312347636 963554862 /nfs/dbraw/zinc/55/48/62/963554862.db2.gz XDGSEXMIUYPUDV-UHFFFAOYSA-N -1 0 339.189 2.943 20 30 EFEDRM C#CCCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588440955 964048217 /nfs/dbraw/zinc/04/82/17/964048217.db2.gz ZYUHXDDYGUWTMP-UHFFFAOYSA-N -1 0 334.441 2.679 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588445171 964065769 /nfs/dbraw/zinc/06/57/69/964065769.db2.gz CKLIOUKQTNKELE-FCEWJHQRSA-N -1 0 328.412 2.922 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000840990267 969216168 /nfs/dbraw/zinc/21/61/68/969216168.db2.gz DPKUJUWOKWRKRA-DLBZAZTESA-N -1 0 328.412 2.517 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000848452781 969260848 /nfs/dbraw/zinc/26/08/48/969260848.db2.gz ANTFNJGNWXWQRK-BYCMXARLSA-N -1 0 332.400 2.532 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000874425426 969399551 /nfs/dbraw/zinc/39/95/51/969399551.db2.gz ZWOHAZJILZMAJH-MGCOHNPYSA-N -1 0 328.821 2.962 20 30 EFEDRM C[C@H]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@H]1C(=O)[O-] ZINC000886909591 969407959 /nfs/dbraw/zinc/40/79/59/969407959.db2.gz CDWYNXXEBGMBMK-SWLSCSKDSA-N -1 0 338.367 2.688 20 30 EFEDRM CSc1ccc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000898871487 969417129 /nfs/dbraw/zinc/41/71/29/969417129.db2.gz MOGVXHLDQMTPBF-RISCZKNCSA-N -1 0 347.440 2.532 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000901499722 969436586 /nfs/dbraw/zinc/43/65/86/969436586.db2.gz KUDJQLYECMWHKP-HNNXBMFYSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCCC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001574790910 969875258 /nfs/dbraw/zinc/87/52/58/969875258.db2.gz DKMOLAQGSOGDSW-INIZCTEOSA-N -1 0 326.396 2.836 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001588655529 969893288 /nfs/dbraw/zinc/89/32/88/969893288.db2.gz CJTOHEKWYDNHHI-UHFFFAOYSA-N -1 0 343.305 2.545 20 30 EFEDRM C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001609636880 970430542 /nfs/dbraw/zinc/43/05/42/970430542.db2.gz PTSFPMGFYFJUNL-AWEZNQCLSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001609636906 970430790 /nfs/dbraw/zinc/43/07/90/970430790.db2.gz TUENYLSNYNQKGJ-GFCCVEGCSA-N -1 0 332.791 2.695 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001609691232 970446697 /nfs/dbraw/zinc/44/66/97/970446697.db2.gz FSTJRFQKSSGXTF-YYAJDYIMSA-N -1 0 326.396 2.928 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1 ZINC001609708369 970486773 /nfs/dbraw/zinc/48/67/73/970486773.db2.gz GHGSHFURBBZIJM-MRVPVSSYSA-N -1 0 339.298 2.629 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605101819 972753860 /nfs/dbraw/zinc/75/38/60/972753860.db2.gz GEKSBPKMTILXSQ-CQSZACIVSA-N -1 0 349.390 2.946 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001605179857 972896096 /nfs/dbraw/zinc/89/60/96/972896096.db2.gz RHAVMIYQVZBWQM-QWHCGFSZSA-N -1 0 331.347 2.580 20 30 EFEDRM CCC(CC)(CNC(=O)NCc1ccc(SC)c(C#N)c1)C(=O)[O-] ZINC001603536855 973591121 /nfs/dbraw/zinc/59/11/21/973591121.db2.gz KUBCRNAFIWOGRH-UHFFFAOYSA-N -1 0 349.456 2.970 20 30 EFEDRM CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Oc1cccc(Cl)c1 ZINC001603551073 973625990 /nfs/dbraw/zinc/62/59/90/973625990.db2.gz YQBLKYCIJDIWGE-MLGOLLRUSA-N -1 0 338.791 2.618 20 30 EFEDRM CC[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC001603555129 973633182 /nfs/dbraw/zinc/63/31/82/973633182.db2.gz AUFDHSDVXYYYDC-FVQBIDKESA-N -1 0 329.400 2.579 20 30 EFEDRM CC[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001603566985 973693948 /nfs/dbraw/zinc/69/39/48/973693948.db2.gz JXNBGZRTYURUQY-CYBMUJFWSA-N -1 0 342.351 2.571 20 30 EFEDRM O=C([O-])Cc1cccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 ZINC001606307846 973719229 /nfs/dbraw/zinc/71/92/29/973719229.db2.gz LVIPUUZRAJQKGX-RMKNXTFCSA-N -1 0 327.311 2.674 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001605576713 973850735 /nfs/dbraw/zinc/85/07/35/973850735.db2.gz SHXVQQIDHLIRAD-DLBZAZTESA-N -1 0 328.412 2.862 20 30 EFEDRM N#CC1(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001605583690 973874348 /nfs/dbraw/zinc/87/43/48/973874348.db2.gz ZFDNIOZRQRLIED-LSDHHAIUSA-N -1 0 327.384 2.683 20 30 EFEDRM N#CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001605586478 973882294 /nfs/dbraw/zinc/88/22/94/973882294.db2.gz XPCIQXXCWRVPIY-OAHLLOKOSA-N -1 0 343.314 2.675 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605590397 973883591 /nfs/dbraw/zinc/88/35/91/973883591.db2.gz CWQLLRGSCOIJCY-OAHLLOKOSA-N -1 0 337.310 2.734 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cccc1OC(F)(F)F ZINC001605590830 973886277 /nfs/dbraw/zinc/88/62/77/973886277.db2.gz NVTOQOYNFFJOQW-DTWKUNHWSA-N -1 0 342.273 2.896 20 30 EFEDRM N#Cc1ccc(-n2ccc(NC(=O)C3(C(=O)[O-])CCC3)n2)c(Cl)c1 ZINC001605597150 973894603 /nfs/dbraw/zinc/89/46/03/973894603.db2.gz CEJXUMRLHJUNPS-UHFFFAOYSA-N -1 0 344.758 2.591 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)nc2ccccc12 ZINC001605597142 973894656 /nfs/dbraw/zinc/89/46/56/973894656.db2.gz BBBRZQWABPMTEO-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)nc1Cl ZINC001605597638 973900978 /nfs/dbraw/zinc/90/09/78/973900978.db2.gz YIIYJHQXUVFCCE-UHFFFAOYSA-N -1 0 341.754 2.898 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605601459 973903802 /nfs/dbraw/zinc/90/38/02/973903802.db2.gz KLLGNFSYRHOHCX-UHFFFAOYSA-N -1 0 344.392 2.571 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001605601574 973904797 /nfs/dbraw/zinc/90/47/97/973904797.db2.gz TUVAULQYJVQNKU-UHFFFAOYSA-N -1 0 334.375 2.973 20 30 EFEDRM COc1cc(CNC(=O)C2(C(=O)[O-])CCCCCC2)ccc1C#N ZINC001604709233 973908909 /nfs/dbraw/zinc/90/89/09/973908909.db2.gz DSTZTWILGOXMKC-UHFFFAOYSA-N -1 0 330.384 2.608 20 30 EFEDRM N#Cc1ccc(COC(=O)C2(CC(=O)[O-])CCOCC2)c(Cl)c1 ZINC001605611455 973920629 /nfs/dbraw/zinc/92/06/29/973920629.db2.gz ZQQZVRVMIOMXJZ-UHFFFAOYSA-N -1 0 337.759 2.526 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cncc(C(=O)[O-])c2)c1Br ZINC001605617597 973935984 /nfs/dbraw/zinc/93/59/84/973935984.db2.gz PDZPGARPISRUQK-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM CCN(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001603713879 974119409 /nfs/dbraw/zinc/11/94/09/974119409.db2.gz NHZWFIXVNUCOEW-CABZTGNLSA-N -1 0 343.305 2.666 20 30 EFEDRM CCc1ccc(C#CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001603969818 974459053 /nfs/dbraw/zinc/45/90/53/974459053.db2.gz ZTXGXVRVNBVWAY-VQTJNVASSA-N -1 0 347.414 2.927 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC001604025396 974550275 /nfs/dbraw/zinc/55/02/75/974550275.db2.gz VIJYZAMAABFMSL-DYVFJYSZSA-N -1 0 338.354 2.716 20 30 EFEDRM CC(C)OCc1c2ccccc2oc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001591730650 975696180 /nfs/dbraw/zinc/69/61/80/975696180.db2.gz FCGNIGCVEQCPSJ-UHFFFAOYSA-N -1 0 344.367 2.798 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2cccc(C#N)n2)cccc1C(=O)[O-] ZINC001591746341 975782207 /nfs/dbraw/zinc/78/22/07/975782207.db2.gz IYOTUTZSCJTCBG-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001591758385 975834741 /nfs/dbraw/zinc/83/47/41/975834741.db2.gz AQCWZTJOUDVLGW-QWHCGFSZSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001591758452 975835903 /nfs/dbraw/zinc/83/59/03/975835903.db2.gz GDPYLSJOVUJBDV-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ncccc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001591811854 976048575 /nfs/dbraw/zinc/04/85/75/976048575.db2.gz XYUFCBZRRGZIGG-UHFFFAOYSA-N -1 0 339.347 2.776 20 30 EFEDRM CC(C)[C@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC001591883540 976241875 /nfs/dbraw/zinc/24/18/75/976241875.db2.gz INKPFVBSXNRWQT-ZDUSSCGKSA-N -1 0 326.805 2.529 20 30 EFEDRM CC(C)c1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)c(C(=O)[O-])c1 ZINC001591959484 976534970 /nfs/dbraw/zinc/53/49/70/976534970.db2.gz GFBWTGHHLUQLNG-UHFFFAOYSA-N -1 0 345.399 2.503 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3C[C@H](O)C[C@H](C(=O)[O-])C3)c2c1 ZINC001591981665 976598510 /nfs/dbraw/zinc/59/85/10/976598510.db2.gz WBBQMHIIGOBPIQ-DZGCQCFKSA-N -1 0 339.395 2.502 20 30 EFEDRM CC(C)c1ccccc1OCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591998605 976645295 /nfs/dbraw/zinc/64/52/95/976645295.db2.gz PHQASSUSUVVAIM-UHFFFAOYSA-N -1 0 344.411 2.796 20 30 EFEDRM CC(C)c1sc(NC(=O)c2cc(O)cc(C#N)c2)nc1C(=O)[O-] ZINC001592115065 976911957 /nfs/dbraw/zinc/91/19/57/976911957.db2.gz RTESALBJWXFZHX-UHFFFAOYSA-N -1 0 331.353 2.794 20 30 EFEDRM C[C@@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001592210169 977252091 /nfs/dbraw/zinc/25/20/91/977252091.db2.gz BCPIXUSUPVQIFR-JOYOIKCWSA-N -1 0 339.189 2.583 20 30 EFEDRM C[C@@H](CC#N)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001592221852 977402808 /nfs/dbraw/zinc/40/28/08/977402808.db2.gz NYTAIINTHWQLLV-JOYOIKCWSA-N -1 0 329.274 2.794 20 30 EFEDRM C[C@@H](CC#N)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592222329 977406302 /nfs/dbraw/zinc/40/63/02/977406302.db2.gz UYQULUUMZMGCTI-ZETCQYMHSA-N -1 0 330.171 2.522 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](F)C(=O)[O-] ZINC001592225631 977410682 /nfs/dbraw/zinc/41/06/82/977410682.db2.gz FZTPSVKMBOPJHF-ZJUUUORDSA-N -1 0 325.365 2.625 20 30 EFEDRM C[C@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1c[nH]c2ccccc21 ZINC001592226778 977421829 /nfs/dbraw/zinc/42/18/29/977421829.db2.gz IIHYWPIWONFAEG-CYBMUJFWSA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@@H](CC#N)c1ccccc1)c1ccccn1 ZINC001592278372 977563546 /nfs/dbraw/zinc/56/35/46/977563546.db2.gz UMKDWICTJQGWCG-HNAYVOBHSA-N -1 0 337.379 2.585 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)CC1(C#N)CCCCC1)c1cccnc1 ZINC001592280439 977569212 /nfs/dbraw/zinc/56/92/12/977569212.db2.gz GTCHRHMRVSCUGU-KRWDZBQOSA-N -1 0 329.400 2.752 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1ccccn1 ZINC001592296509 977626761 /nfs/dbraw/zinc/62/67/61/977626761.db2.gz ARPOQESLRLBLSX-SFHVURJKSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1ccncc1 ZINC001592298498 977648771 /nfs/dbraw/zinc/64/87/71/977648771.db2.gz UTSMTAMWWPPTQR-GOSISDBHSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1cccnc1 ZINC001592309148 977677906 /nfs/dbraw/zinc/67/79/06/977677906.db2.gz PLGXVAUYMCAXRC-LJQANCHMSA-N -1 0 348.362 2.554 20 30 EFEDRM C[C@@H](CC=NN1C(=S)N=NC1CSc1ccccc1)C(=O)[O-] ZINC001592471557 978233325 /nfs/dbraw/zinc/23/33/25/978233325.db2.gz TZXJNPAKTPECBG-JTQLQIEISA-N -1 0 336.442 2.804 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)CC(=O)[O-])cc2F)c1 ZINC000738433504 978538035 /nfs/dbraw/zinc/53/80/35/978538035.db2.gz GFNVTFXFNYCSBV-UHFFFAOYSA-N -1 0 328.299 2.690 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])s1 ZINC000738474087 978544175 /nfs/dbraw/zinc/54/41/75/978544175.db2.gz KFZCOQGHGIIJAW-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1ccc(F)c(C#N)c1 ZINC000738533830 978552672 /nfs/dbraw/zinc/55/26/72/978552672.db2.gz UPGQFZBGAIPEJU-UHFFFAOYSA-N -1 0 327.315 2.755 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)c1cc(C#N)nc(C2CC2)n1)C(=O)[O-] ZINC001592609757 978558149 /nfs/dbraw/zinc/55/81/49/978558149.db2.gz MGDSLNPYTCOIIF-CYBMUJFWSA-N -1 0 336.395 2.953 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000747061602 978686139 /nfs/dbraw/zinc/68/61/39/978686139.db2.gz KVJLSCCUNIOETI-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM Cc1nn(C)c(C=NNc2ccccc2C(=O)[O-])c1Br ZINC000790287479 978799337 /nfs/dbraw/zinc/79/93/37/978799337.db2.gz MAMZSKNWGULKFF-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM C=CCN1C(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)SC1=S ZINC000794687074 978815331 /nfs/dbraw/zinc/81/53/31/978815331.db2.gz FNBIZHXPIITOMA-YWEFTTLKSA-N -1 0 349.433 2.926 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)cc1 ZINC000806575580 978850095 /nfs/dbraw/zinc/85/00/95/978850095.db2.gz HDWDJNADDCDKHW-RMKNXTFCSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)cc1 ZINC000806575581 978850216 /nfs/dbraw/zinc/85/02/16/978850216.db2.gz HDWDJNADDCDKHW-TWGQIWQCSA-N -1 0 349.346 2.627 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C=NNc2ccccc2C(=O)[O-])c1C ZINC000812445815 978869691 /nfs/dbraw/zinc/86/96/91/978869691.db2.gz ASLNMGASJJANKL-UHFFFAOYSA-N -1 0 329.356 2.952 20 30 EFEDRM C[C@H]1C(N=Nc2nnc(-c3ccccn3)s2)CC[C@@H]1CC(=O)[O-] ZINC000814911139 978898100 /nfs/dbraw/zinc/89/81/00/978898100.db2.gz ULXQNFMZAHGZRJ-NXEZZACHSA-N -1 0 331.401 2.889 20 30 EFEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccn3)s2)CC[C@@H]1CC(=O)[O-] ZINC000814911141 978898143 /nfs/dbraw/zinc/89/81/43/978898143.db2.gz ULXQNFMZAHGZRJ-VHSXEESVSA-N -1 0 331.401 2.889 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccncc1 ZINC000825665247 978940450 /nfs/dbraw/zinc/94/04/50/978940450.db2.gz XCQMYIJYABYUFM-MRXNPFEDSA-N -1 0 346.408 2.684 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595030246 979165098 /nfs/dbraw/zinc/16/50/98/979165098.db2.gz MLUCBHHYHQUGSF-QMMMGPOBSA-N -1 0 340.177 2.961 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595030628 979169052 /nfs/dbraw/zinc/16/90/52/979169052.db2.gz ULDCIEAUGMWOIW-QMMMGPOBSA-N -1 0 340.177 2.961 20 30 EFEDRM C=CCn1c(C)cc(C(=O)Cn2cc(C(=O)[O-])nc2C2CC2)c1C ZINC000833379519 979175323 /nfs/dbraw/zinc/17/53/23/979175323.db2.gz DVJBEBOTODMQSG-UHFFFAOYSA-N -1 0 327.384 2.946 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833538879 979201179 /nfs/dbraw/zinc/20/11/79/979201179.db2.gz ATHLGVCXIWROCJ-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@](COC(=O)COc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001592763434 979362692 /nfs/dbraw/zinc/36/26/92/979362692.db2.gz FBNOTNYVMMBSMD-LJQANCHMSA-N -1 0 339.347 2.523 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2cccc(C(=O)[O-])c2C)cs1 ZINC000844627746 979397389 /nfs/dbraw/zinc/39/73/89/979397389.db2.gz PYETXIOTZVMFSL-UHFFFAOYSA-N -1 0 346.412 2.969 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000849332368 979493030 /nfs/dbraw/zinc/49/30/30/979493030.db2.gz NWLOBZNFKZWSPT-LLVKDONJSA-N -1 0 327.377 2.501 20 30 EFEDRM CC[C@@](C/N=C/c1ccc(O)c(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131560 979555206 /nfs/dbraw/zinc/55/52/06/979555206.db2.gz XCNOLUBYOYILLY-JHBOHYQCSA-N -1 0 329.352 2.655 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1sccc1C#N)C(=O)[O-] ZINC001592847766 979627699 /nfs/dbraw/zinc/62/76/99/979627699.db2.gz JALBYNGWHXJPHC-MRXNPFEDSA-N -1 0 332.356 2.575 20 30 EFEDRM CC[C@](CNC(=O)c1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595160252 979683440 /nfs/dbraw/zinc/68/34/40/979683440.db2.gz DOLMTJCHNDMVNF-LJQANCHMSA-N -1 0 340.354 2.860 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1)C(=O)[O-] ZINC001592866548 979711861 /nfs/dbraw/zinc/71/18/61/979711861.db2.gz KTGKWTGHTWPOGX-WMLDXEAASA-N -1 0 344.411 2.644 20 30 EFEDRM CC[C@](CNC(=O)c1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001595166707 979715953 /nfs/dbraw/zinc/71/59/53/979715953.db2.gz XDSVJKGPKREEFT-QGZVFWFLSA-N -1 0 328.393 2.782 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864145467 979750637 /nfs/dbraw/zinc/75/06/37/979750637.db2.gz JDNHVVBKRYUBRB-GFCCVEGCSA-N -1 0 339.438 2.586 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC000864187788 979835073 /nfs/dbraw/zinc/83/50/73/979835073.db2.gz OPWWOKCUOCVOHA-INIZCTEOSA-N -1 0 328.368 2.701 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(=C)C)C(=O)[O-])cc1OC ZINC000864188924 979838114 /nfs/dbraw/zinc/83/81/14/979838114.db2.gz XTRANDYQVVPNAB-VIHMKRCTSA-N -1 0 345.395 2.809 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000864195677 979858638 /nfs/dbraw/zinc/85/86/38/979858638.db2.gz DHLBLPOEPOLMNE-IBGZPJMESA-N -1 0 347.411 2.562 20 30 EFEDRM C=CCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCOCC1 ZINC000864226479 979912928 /nfs/dbraw/zinc/91/29/28/979912928.db2.gz HIORXGVDZSSEKH-AWEZNQCLSA-N -1 0 329.396 2.964 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000871982651 980021718 /nfs/dbraw/zinc/02/17/18/980021718.db2.gz XQPVIBDPONARLS-LLVKDONJSA-N -1 0 327.377 2.501 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000873084457 980165144 /nfs/dbraw/zinc/16/51/44/980165144.db2.gz YLOVMAAONXQHDI-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC001595246470 980183773 /nfs/dbraw/zinc/18/37/73/980183773.db2.gz ADVIBQPWFIHRKV-OAHLLOKOSA-N -1 0 329.400 2.846 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)cc1 ZINC000899407450 980228458 /nfs/dbraw/zinc/22/84/58/980228458.db2.gz SISMMCKPOPAQIN-RMKNXTFCSA-N -1 0 326.352 2.968 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)n1 ZINC000901313414 980260709 /nfs/dbraw/zinc/26/07/09/980260709.db2.gz ICVGQNRVTBAWQY-ZJUUUORDSA-N -1 0 340.811 2.955 20 30 EFEDRM C[C@](NC(=O)CSCC#N)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593035891 980309650 /nfs/dbraw/zinc/30/96/50/980309650.db2.gz AIFHNYSCACFJBB-CYBMUJFWSA-N -1 0 347.223 2.666 20 30 EFEDRM C[C@@](NC(=O)CSCC#N)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593035892 980309722 /nfs/dbraw/zinc/30/97/22/980309722.db2.gz AIFHNYSCACFJBB-ZDUSSCGKSA-N -1 0 347.223 2.666 20 30 EFEDRM C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CCC(F)(F)CC1 ZINC001593051713 980350587 /nfs/dbraw/zinc/35/05/87/980350587.db2.gz MLHFYIUSSPJDNW-NSHDSACASA-N -1 0 343.374 2.600 20 30 EFEDRM N#Cc1ccc(CN2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903669487 981011513 /nfs/dbraw/zinc/01/15/13/981011513.db2.gz DKIMVQVPESXOQY-UHFFFAOYSA-N -1 0 341.436 2.636 20 30 EFEDRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001594766114 981720335 /nfs/dbraw/zinc/72/03/35/981720335.db2.gz TXJONGMCIUHHPP-RKPNYOAGSA-N -1 0 345.395 2.521 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC001594783482 981795233 /nfs/dbraw/zinc/79/52/33/981795233.db2.gz XRBRIWBRFMKRBN-LJQANCHMSA-N -1 0 344.411 2.623 20 30 EFEDRM CCC(C)(C)N(CCC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594805026 981904095 /nfs/dbraw/zinc/90/40/95/981904095.db2.gz PWNFDWCXBUOZCD-UHFFFAOYSA-N -1 0 333.344 2.837 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001595652365 982033278 /nfs/dbraw/zinc/03/32/78/982033278.db2.gz SSCKBSUJMIIEHF-GJZGRUSLSA-N -1 0 335.404 2.685 20 30 EFEDRM CCCCNc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595763445 982471913 /nfs/dbraw/zinc/47/19/13/982471913.db2.gz JZHKAPCEHOADFM-UHFFFAOYSA-N -1 0 329.400 2.729 20 30 EFEDRM CC[C@H](C)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001594944541 982627939 /nfs/dbraw/zinc/62/79/39/982627939.db2.gz GPEOILGNVRPBQT-XHDPSFHLSA-N -1 0 341.367 2.832 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000923063500 982702382 /nfs/dbraw/zinc/70/23/82/982702382.db2.gz XZYXYOXCJYKBEO-SFHVURJKSA-N -1 0 328.368 2.871 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C(=O)[O-])cc1 ZINC000923065560 982703988 /nfs/dbraw/zinc/70/39/88/982703988.db2.gz PLPJFIRQVXRYDH-DNVCBOLYSA-N -1 0 326.396 2.754 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000923076559 982708278 /nfs/dbraw/zinc/70/82/78/982708278.db2.gz RWVPQIRGBUIFCO-LJQANCHMSA-N -1 0 342.395 2.582 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000923076558 982708288 /nfs/dbraw/zinc/70/82/88/982708288.db2.gz RWVPQIRGBUIFCO-IBGZPJMESA-N -1 0 342.395 2.582 20 30 EFEDRM CC[C@](CNC(=O)C1(C#N)CC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000923080484 982711599 /nfs/dbraw/zinc/71/15/99/982711599.db2.gz MANCDLNMYHUBIK-LJQANCHMSA-N -1 0 326.396 2.619 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000923084187 982713853 /nfs/dbraw/zinc/71/38/53/982713853.db2.gz WTRPQDPVDPQZBN-NBQZKYEYSA-N -1 0 340.423 2.909 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C(C)(C)C#N ZINC000923102215 982725124 /nfs/dbraw/zinc/72/51/24/982725124.db2.gz DWANMWFOXOJUJK-UHFFFAOYSA-N -1 0 325.162 2.944 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985368 982799789 /nfs/dbraw/zinc/79/97/89/982799789.db2.gz OGLHFHZBQPIBJU-BJOHPYRUSA-N -1 0 331.347 2.921 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)cc2n1 ZINC000923212567 982843393 /nfs/dbraw/zinc/84/33/93/982843393.db2.gz XTUIORGWCOCUNI-GOEBONIOSA-N -1 0 343.383 2.573 20 30 EFEDRM CC[C@H](C)NC(=O)c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001594992389 982862111 /nfs/dbraw/zinc/86/21/11/982862111.db2.gz VCBPLHAJOFQDEE-NSHDSACASA-N -1 0 338.367 2.923 20 30 EFEDRM C=CCOc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC000925980269 982867856 /nfs/dbraw/zinc/86/78/56/982867856.db2.gz YNIPKCIRKOYRSZ-JKSUJKDBSA-N -1 0 330.384 2.826 20 30 EFEDRM C=CCO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001118318617 982952906 /nfs/dbraw/zinc/95/29/06/982952906.db2.gz GZSGSWOEYMYRIG-KBPBESRZSA-N -1 0 340.217 2.852 20 30 EFEDRM CCCOc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595962228 983164863 /nfs/dbraw/zinc/16/48/63/983164863.db2.gz ZWOLIXUJEMXJJZ-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC001574790731 983276194 /nfs/dbraw/zinc/27/61/94/983276194.db2.gz OAGZBSRTBHABTR-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367745 983300878 /nfs/dbraw/zinc/30/08/78/983300878.db2.gz BESQTKOFRQQTPU-BXKDBHETSA-N -1 0 328.290 2.651 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001588369295 983312912 /nfs/dbraw/zinc/31/29/12/983312912.db2.gz HUNUGURMMRVPMC-HNNXBMFYSA-N -1 0 339.347 2.927 20 30 EFEDRM C#C[C@H](CCC)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588369466 983314163 /nfs/dbraw/zinc/31/41/63/983314163.db2.gz MNJRBIFVBPKYLU-JKSUJKDBSA-N -1 0 328.412 2.906 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001588372222 983329169 /nfs/dbraw/zinc/32/91/69/983329169.db2.gz FXLMJMGRZYSHBF-QRVBRYPASA-N -1 0 348.402 2.871 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372276 983329432 /nfs/dbraw/zinc/32/94/32/983329432.db2.gz HCDCWISAURGTNE-RISCZKNCSA-N -1 0 336.750 2.626 20 30 EFEDRM C#C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588372597 983332619 /nfs/dbraw/zinc/33/26/19/983332619.db2.gz OLHMIZZUZODFAO-KRWDZBQOSA-N -1 0 325.339 2.947 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)C ZINC001588373339 983337884 /nfs/dbraw/zinc/33/78/84/983337884.db2.gz DODLFQOFEGKVEV-AWEZNQCLSA-N -1 0 329.400 2.764 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)C ZINC001588373340 983338148 /nfs/dbraw/zinc/33/81/48/983338148.db2.gz DODLFQOFEGKVEV-CQSZACIVSA-N -1 0 329.400 2.764 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588373499 983338813 /nfs/dbraw/zinc/33/88/13/983338813.db2.gz GBOWQPQMSNXMRW-HNNXBMFYSA-N -1 0 342.282 2.536 20 30 EFEDRM C#C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1cccc(C(F)(F)F)c1 ZINC001588376522 983351762 /nfs/dbraw/zinc/35/17/62/983351762.db2.gz UNVHUAURWCZZPW-FRRDWIJNSA-N -1 0 342.269 2.555 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC001588376993 983355035 /nfs/dbraw/zinc/35/50/35/983355035.db2.gz HYCZEGCJTYCDGU-MELADBBJSA-N -1 0 327.302 2.602 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001588377657 983358762 /nfs/dbraw/zinc/35/87/62/983358762.db2.gz PFGMJDRNTWANSN-CQSZACIVSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@H]1CCCO1 ZINC001588377947 983360270 /nfs/dbraw/zinc/36/02/70/983360270.db2.gz SNIWGVDCAMOYLX-RTBURBONSA-N -1 0 349.386 2.962 20 30 EFEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(Cl)cc1F ZINC001588378532 983363025 /nfs/dbraw/zinc/36/30/25/983363025.db2.gz ZOTBYKDKGDFAAR-LBPRGKRZSA-N -1 0 334.734 2.620 20 30 EFEDRM C#CC1(NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCCC1 ZINC001588379841 983365702 /nfs/dbraw/zinc/36/57/02/983365702.db2.gz TZGAHLPARWVMSU-UHFFFAOYSA-N -1 0 336.775 2.871 20 30 EFEDRM C#CC1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001588383114 983377756 /nfs/dbraw/zinc/37/77/56/983377756.db2.gz NXWGENFSPIOQJS-UHFFFAOYSA-N -1 0 346.452 2.609 20 30 EFEDRM C#C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588383241 983379154 /nfs/dbraw/zinc/37/91/54/983379154.db2.gz QGLPFRVEMATASB-ZBFHGGJFSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CCC(C)(C)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588383755 983384164 /nfs/dbraw/zinc/38/41/64/983384164.db2.gz JNXZGMGTLPVAEQ-LLVKDONJSA-N -1 0 341.329 2.655 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC(=C)C ZINC001588389781 983387952 /nfs/dbraw/zinc/38/79/52/983387952.db2.gz ASZFRZXRDQUWRS-BZUAXINKSA-N -1 0 344.459 2.918 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC(CCC(=O)[O-])CC2)n1CC=C ZINC001588390100 983391526 /nfs/dbraw/zinc/39/15/26/983391526.db2.gz KYICCMQGAYCZIQ-UHFFFAOYSA-N -1 0 344.459 2.846 20 30 EFEDRM C#CC[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588408022 983430149 /nfs/dbraw/zinc/43/01/49/983430149.db2.gz VFNIQKNZALIDQN-WCQYABFASA-N -1 0 343.408 2.966 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001588414104 983432918 /nfs/dbraw/zinc/43/29/18/983432918.db2.gz OAFYUHXURBDTPL-AWEZNQCLSA-N -1 0 329.377 2.533 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC001588417090 983438388 /nfs/dbraw/zinc/43/83/88/983438388.db2.gz XFEGEHDRJUDOPH-CYBMUJFWSA-N -1 0 328.393 2.633 20 30 EFEDRM C#CC[C@H](NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1)C(=O)[O-] ZINC001588422685 983448220 /nfs/dbraw/zinc/44/82/20/983448220.db2.gz NIHAKIPJYQQXSJ-INIZCTEOSA-N -1 0 341.363 2.689 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CCCCC1 ZINC001588431710 983465419 /nfs/dbraw/zinc/46/54/19/983465419.db2.gz MHNJJQKRRMAFOW-FLIBITNWSA-N -1 0 347.436 2.789 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588433932 983468579 /nfs/dbraw/zinc/46/85/79/983468579.db2.gz DAVVCUWKNFTPEF-OLZOCXBDSA-N -1 0 348.374 2.945 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588434901 983473443 /nfs/dbraw/zinc/47/34/43/983473443.db2.gz XNQYCHHZVDQGID-RYUDHWBXSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001588455128 983478714 /nfs/dbraw/zinc/47/87/14/983478714.db2.gz DQYVQWFBYFAVBJ-IBGZPJMESA-N -1 0 349.386 2.913 20 30 EFEDRM C#CCCOC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588455431 983479796 /nfs/dbraw/zinc/47/97/96/983479796.db2.gz MYULJIBKBUGNAQ-LBPRGKRZSA-N -1 0 329.274 2.971 20 30 EFEDRM C#CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@H]1CCCc2ccccc21 ZINC001588460199 983487108 /nfs/dbraw/zinc/48/71/08/983487108.db2.gz URGCMFIUUXVRFH-IBGZPJMESA-N -1 0 348.402 2.862 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1)C1CCCC1 ZINC001588460118 983487259 /nfs/dbraw/zinc/48/72/59/983487259.db2.gz SOTLFWSYQNFYJX-UHFFFAOYSA-N -1 0 344.367 2.581 20 30 EFEDRM CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H](C)c1ccc(C#N)cc1 ZINC001596137922 983488358 /nfs/dbraw/zinc/48/83/58/983488358.db2.gz WKANEXNCRUTIMV-XOKHGSTOSA-N -1 0 344.411 2.738 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588465964 983497302 /nfs/dbraw/zinc/49/73/02/983497302.db2.gz OXRMWRUBZLYDMB-UHFFFAOYSA-N -1 0 337.803 2.815 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001588497570 983539651 /nfs/dbraw/zinc/53/96/51/983539651.db2.gz NWYUBVVLWANBOE-UHFFFAOYSA-N -1 0 325.320 2.663 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001588497753 983541213 /nfs/dbraw/zinc/54/12/13/983541213.db2.gz ZDYGPVKCXVXQAF-UHFFFAOYSA-N -1 0 342.376 2.983 20 30 EFEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001588498043 983542993 /nfs/dbraw/zinc/54/29/93/983542993.db2.gz SCQMPBMJWPFKSI-GFCCVEGCSA-N -1 0 325.320 2.710 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001588499014 983544615 /nfs/dbraw/zinc/54/46/15/983544615.db2.gz KPWAENBOQARJHX-UHFFFAOYSA-N -1 0 348.374 2.994 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588499226 983545004 /nfs/dbraw/zinc/54/50/04/983545004.db2.gz RCSYEAVHHUBPMK-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001588499326 983545416 /nfs/dbraw/zinc/54/54/16/983545416.db2.gz XVQFKFJWKYZMLX-KRWDZBQOSA-N -1 0 334.347 2.603 20 30 EFEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596179085 983549424 /nfs/dbraw/zinc/54/94/24/983549424.db2.gz ZDAYLVRBWDOILP-LLVKDONJSA-N -1 0 348.380 2.621 20 30 EFEDRM C#CCSCCNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588505944 983550164 /nfs/dbraw/zinc/55/01/64/983550164.db2.gz BBYVSFNZHKJNCR-UHFFFAOYSA-N -1 0 336.413 2.660 20 30 EFEDRM C#CCSCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588505965 983550220 /nfs/dbraw/zinc/55/02/20/983550220.db2.gz BZNMCQUKEASFGT-UHFFFAOYSA-N -1 0 347.314 2.631 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001588510738 983556937 /nfs/dbraw/zinc/55/69/37/983556937.db2.gz JKNRQRUHLNADSY-INIZCTEOSA-N -1 0 328.412 2.997 20 30 EFEDRM C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001588510897 983557653 /nfs/dbraw/zinc/55/76/53/983557653.db2.gz MZSHTOKPPRSXEG-UMSPYCQHSA-N -1 0 341.816 2.509 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)cn1 ZINC001588516629 983561557 /nfs/dbraw/zinc/56/15/57/983561557.db2.gz TVIPOJCQIWAZAC-UHFFFAOYSA-N -1 0 346.289 2.657 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001588517025 983563219 /nfs/dbraw/zinc/56/32/19/983563219.db2.gz IOBRSMQVMPBCJJ-UHFFFAOYSA-N -1 0 329.743 2.736 20 30 EFEDRM C#Cc1ccc(NC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588517836 983566477 /nfs/dbraw/zinc/56/64/77/983566477.db2.gz HQZZAPBDVUDFAE-UHFFFAOYSA-N -1 0 338.363 2.795 20 30 EFEDRM C#Cc1ccc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001588517887 983567060 /nfs/dbraw/zinc/56/70/60/983567060.db2.gz ISDDWPXAXGUTGD-UHFFFAOYSA-N -1 0 329.743 2.736 20 30 EFEDRM C#Cc1ccc(NC(=O)Nc2cnn(CC(=O)[O-])c2C)c(Cl)c1 ZINC001588518136 983568158 /nfs/dbraw/zinc/56/81/58/983568158.db2.gz RYDKYFFQSCCUQK-UHFFFAOYSA-N -1 0 332.747 2.555 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001588522163 983569928 /nfs/dbraw/zinc/56/99/28/983569928.db2.gz FQPDHCRWKFEQSL-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC001588522355 983570676 /nfs/dbraw/zinc/57/06/76/983570676.db2.gz RZXKDKCPZIKNSF-UHFFFAOYSA-N -1 0 345.358 2.828 20 30 EFEDRM C#Cc1cccc(NC(=O)CN[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001588523218 983571602 /nfs/dbraw/zinc/57/16/02/983571602.db2.gz AVVFYCAPYJCRDN-QGZVFWFLSA-N -1 0 342.782 2.675 20 30 EFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001588523537 983572722 /nfs/dbraw/zinc/57/27/22/983572722.db2.gz NSEJROJXUPPPBC-UHFFFAOYSA-N -1 0 342.738 2.597 20 30 EFEDRM C#Cc1cccc(NC(=O)NC(=O)CS[C@H](CCCC)C(=O)[O-])c1 ZINC001588524231 983574059 /nfs/dbraw/zinc/57/40/59/983574059.db2.gz CWIGNEDSCQMHOA-CQSZACIVSA-N -1 0 348.424 2.693 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CCC(CC(=O)[O-])CC2)c1 ZINC001588524890 983576777 /nfs/dbraw/zinc/57/67/77/983576777.db2.gz XPISCHZHXXBJAI-UHFFFAOYSA-N -1 0 329.425 2.975 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588528824 983578602 /nfs/dbraw/zinc/57/86/02/983578602.db2.gz IJEVOCIFENRXDO-UHFFFAOYSA-N -1 0 338.319 2.764 20 30 EFEDRM C=C(C)[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535068 983587910 /nfs/dbraw/zinc/58/79/10/983587910.db2.gz KBKHFCQAONBUCM-CYBMUJFWSA-N -1 0 326.343 2.992 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588535574 983589752 /nfs/dbraw/zinc/58/97/52/983589752.db2.gz JNFRUGDDYADLCU-JOYOIKCWSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588535587 983589990 /nfs/dbraw/zinc/58/99/90/983589990.db2.gz JQOLJVOKYWADEY-BZNIZROVSA-N -1 0 343.383 2.969 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588536961 983596565 /nfs/dbraw/zinc/59/65/65/983596565.db2.gz WBSJWPWGXJMYAZ-ZYHUDNBSSA-N -1 0 337.397 2.697 20 30 EFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588537141 983598082 /nfs/dbraw/zinc/59/80/82/983598082.db2.gz JBCSSHGNXNVAER-GFCCVEGCSA-N -1 0 336.388 2.621 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC001588542845 983609915 /nfs/dbraw/zinc/60/99/15/983609915.db2.gz ABLMYQPNOORTHV-NSHDSACASA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C(=O)[O-] ZINC001588543372 983611735 /nfs/dbraw/zinc/61/17/35/983611735.db2.gz IBOLSXMMPDPBHZ-CQSZACIVSA-N -1 0 347.802 2.890 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)[O-] ZINC001588544246 983613802 /nfs/dbraw/zinc/61/38/02/983613802.db2.gz ZCVDQMCYOYKINZ-NSHDSACASA-N -1 0 335.743 2.596 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1OCC)C(=O)[O-] ZINC001588546830 983617009 /nfs/dbraw/zinc/61/70/09/983617009.db2.gz QOGWOFFUWXSPEN-SNVBAGLBSA-N -1 0 346.305 2.648 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(SC)c(C(=O)[O-])c1 ZINC001596229641 983621662 /nfs/dbraw/zinc/62/16/62/983621662.db2.gz DQYHISHIHXBMTC-NSHDSACASA-N -1 0 335.429 2.527 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)C(=O)[O-] ZINC001588548698 983625083 /nfs/dbraw/zinc/62/50/83/983625083.db2.gz SPOYJVGEVZTXAE-AWEZNQCLSA-N -1 0 327.336 2.660 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001588548751 983625099 /nfs/dbraw/zinc/62/50/99/983625099.db2.gz SXTFYJAKKBLYCJ-KRWDZBQOSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](Nc1nc(-c2ccncc2)nc2ccccc21)C(=O)[O-] ZINC001588554868 983632284 /nfs/dbraw/zinc/63/22/84/983632284.db2.gz SCQPUGZIBBBFIQ-INIZCTEOSA-N -1 0 334.379 2.945 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)C(=O)[O-] ZINC001588555282 983633748 /nfs/dbraw/zinc/63/37/48/983633748.db2.gz DHDGYIYZZHZHTA-AWEZNQCLSA-N -1 0 339.457 2.990 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)c(F)c1)C(=O)[O-] ZINC001588555606 983636148 /nfs/dbraw/zinc/63/61/48/983636148.db2.gz NFHPDGVTIPMKKH-AWEZNQCLSA-N -1 0 343.420 2.821 20 30 EFEDRM C=C(C)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001588558774 983639123 /nfs/dbraw/zinc/63/91/23/983639123.db2.gz CKIWTUVGCMXHFL-UHFFFAOYSA-N -1 0 345.182 2.713 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001588567178 983646441 /nfs/dbraw/zinc/64/64/41/983646441.db2.gz FXXJERIZCFTLAN-UHFFFAOYSA-N -1 0 329.352 2.689 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001588567711 983647781 /nfs/dbraw/zinc/64/77/81/983647781.db2.gz QVTXPLZYNSITII-UHFFFAOYSA-N -1 0 346.408 2.547 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588567979 983648273 /nfs/dbraw/zinc/64/82/73/983648273.db2.gz YBESVPFUXKLPGP-UHFFFAOYSA-N -1 0 333.340 2.590 20 30 EFEDRM C=C(C)CONC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588573584 983653161 /nfs/dbraw/zinc/65/31/61/983653161.db2.gz QHPVEZXWHCZADE-NSHDSACASA-N -1 0 332.278 2.795 20 30 EFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1nnnn1C(C)(C)C ZINC001588577401 983656588 /nfs/dbraw/zinc/65/65/88/983656588.db2.gz VDZQQKAFOMKVSG-UHFFFAOYSA-N -1 0 330.388 2.824 20 30 EFEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578512 983658984 /nfs/dbraw/zinc/65/89/84/983658984.db2.gz KDRAHDPLYMSOBH-GXTWGEPZSA-N -1 0 330.388 2.661 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578527 983659067 /nfs/dbraw/zinc/65/90/67/983659067.db2.gz KZWOFPORWCCHSK-GXTWGEPZSA-N -1 0 344.415 2.970 20 30 EFEDRM C=C(C)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588585651 983664062 /nfs/dbraw/zinc/66/40/62/983664062.db2.gz RYJQRRXIUKGYAW-UHFFFAOYSA-N -1 0 331.141 2.984 20 30 EFEDRM C=C(C)Cn1c(C)nnc1N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588590933 983670567 /nfs/dbraw/zinc/67/05/67/983670567.db2.gz CXMHFRXSSGMGNA-GFCCVEGCSA-N -1 0 347.444 2.701 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588591687 983673777 /nfs/dbraw/zinc/67/37/77/983673777.db2.gz LOTQUTQGISGLAV-GJZGRUSLSA-N -1 0 343.431 2.562 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588591709 983674251 /nfs/dbraw/zinc/67/42/51/983674251.db2.gz LXTMLGFTCALXPV-BFHYXJOUSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@@H]2C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588591907 983674687 /nfs/dbraw/zinc/67/46/87/983674687.db2.gz OFUBVQQFCQHYPW-CYUUQNCZSA-N -1 0 330.432 2.525 20 30 EFEDRM C=C(C)Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001588598569 983684621 /nfs/dbraw/zinc/68/46/21/983684621.db2.gz GZBKEIPRTIWLOL-KRWDZBQOSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)Cn1c(Cc2ccco2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588598591 983684631 /nfs/dbraw/zinc/68/46/31/983684631.db2.gz HWMLYBCJYJZXGJ-GOSISDBHSA-N -1 0 344.415 2.729 20 30 EFEDRM C=C(C)Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001588598570 983684742 /nfs/dbraw/zinc/68/47/42/983684742.db2.gz GZBKEIPRTIWLOL-QGZVFWFLSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)Cn1c(Cc2ccoc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588599289 983689013 /nfs/dbraw/zinc/68/90/13/983689013.db2.gz XSTGKJJJCBPVPY-GOSISDBHSA-N -1 0 344.415 2.729 20 30 EFEDRM C=C(CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC001588605311 983691920 /nfs/dbraw/zinc/69/19/20/983691920.db2.gz HBXVZLRVGZAXTK-AWEZNQCLSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C(CC)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588605799 983694811 /nfs/dbraw/zinc/69/48/11/983694811.db2.gz NLEBTCBGWVFQEG-LBPRGKRZSA-N -1 0 326.190 2.999 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001588614909 983709117 /nfs/dbraw/zinc/70/91/17/983709117.db2.gz DOBYIUMJUPFEDX-KRWDZBQOSA-N -1 0 337.803 2.571 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC001588619155 983715069 /nfs/dbraw/zinc/71/50/69/983715069.db2.gz MGYODMJYBVEVGU-OTYXRUKQSA-N -1 0 346.210 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC001588619540 983717582 /nfs/dbraw/zinc/71/75/82/983717582.db2.gz WVNBJIGEUNFHJH-ABAIWWIYSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CCC(=O)OC)CC1CCCCC1 ZINC001588622251 983722567 /nfs/dbraw/zinc/72/25/67/983722567.db2.gz SJKUSELDOAQQDA-OAHLLOKOSA-N -1 0 339.432 2.816 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC001588624405 983732041 /nfs/dbraw/zinc/73/20/41/983732041.db2.gz HUPIXQWEBMKOPW-UHFFFAOYSA-N -1 0 332.183 2.909 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC001588624574 983733415 /nfs/dbraw/zinc/73/34/15/983733415.db2.gz NXJIHGSQJGYOKO-UHFFFAOYSA-N -1 0 341.411 2.569 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)cc(Br)c1O ZINC001588629823 983739394 /nfs/dbraw/zinc/73/93/94/983739394.db2.gz VSLCPJIANBGEGT-UHFFFAOYSA-N -1 0 328.162 2.823 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OC(F)F)c(OCC)c1 ZINC001588630402 983743743 /nfs/dbraw/zinc/74/37/43/983743743.db2.gz ZGAIKEMWJJJCJH-UHFFFAOYSA-N -1 0 343.326 2.724 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588633377 983749018 /nfs/dbraw/zinc/74/90/18/983749018.db2.gz MBLJAMLKBRZUPN-KRWDZBQOSA-N -1 0 341.363 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC001588633725 983750985 /nfs/dbraw/zinc/75/09/85/983750985.db2.gz QMIPSBZEJPTYPX-UHFFFAOYSA-N -1 0 335.360 2.628 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1 ZINC001588634631 983753467 /nfs/dbraw/zinc/75/34/67/983753467.db2.gz YKQDDZQYBOHGGR-UHFFFAOYSA-N -1 0 344.367 2.564 20 30 EFEDRM C=C(Cl)C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)C(=O)OCC ZINC001588641662 983762795 /nfs/dbraw/zinc/76/27/95/983762795.db2.gz HRXYMZSDDGTVMN-ZCFIWIBFSA-N -1 0 339.200 2.981 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588644597 983770268 /nfs/dbraw/zinc/77/02/68/983770268.db2.gz ZUIJNTXWQUWWCO-OKILXGFUSA-N -1 0 327.446 2.534 20 30 EFEDRM C=C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588663038 983793201 /nfs/dbraw/zinc/79/32/01/983793201.db2.gz BQGXSTYCKZSEIB-IAGOWNOFSA-N -1 0 327.355 2.907 20 30 EFEDRM C=C[C@H](C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001588664025 983797690 /nfs/dbraw/zinc/79/76/90/983797690.db2.gz MTMAMADHGSJXHT-KBPBESRZSA-N -1 0 325.368 2.502 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC001588664323 983799487 /nfs/dbraw/zinc/79/94/87/983799487.db2.gz PMZDTTFFRHEBIQ-QAETUUGQSA-N -1 0 331.412 2.731 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664783 983804263 /nfs/dbraw/zinc/80/42/63/983804263.db2.gz VYGCXGFPZBSLJH-KGLIPLIRSA-N -1 0 332.400 2.582 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664782 983804979 /nfs/dbraw/zinc/80/49/79/983804979.db2.gz VYGCXGFPZBSLJH-KBPBESRZSA-N -1 0 332.400 2.582 20 30 EFEDRM C=C[C@](C)(O)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588683822 983851306 /nfs/dbraw/zinc/85/13/06/983851306.db2.gz FMNIIPYIFKLFGF-XLIONFOSSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588686771 983867118 /nfs/dbraw/zinc/86/71/18/983867118.db2.gz DKRFRXGEOPNSKL-NSHDSACASA-N -1 0 330.340 2.931 20 30 EFEDRM C=C[C@H](C)ONC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588688015 983872945 /nfs/dbraw/zinc/87/29/45/983872945.db2.gz VXKUSRQAGFRDIH-WCBMZHEXSA-N -1 0 325.390 2.502 20 30 EFEDRM C=C[C@@H](CC(=O)NCCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588690614 983875264 /nfs/dbraw/zinc/87/52/64/983875264.db2.gz FBPVFDGKGYTGRW-LBPRGKRZSA-N -1 0 330.409 2.860 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588690831 983876866 /nfs/dbraw/zinc/87/68/66/983876866.db2.gz MINQFOFSNRPAGT-WFASDCNBSA-N -1 0 330.409 2.615 20 30 EFEDRM C=C[C@@H](COC)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588692930 983888034 /nfs/dbraw/zinc/88/80/34/983888034.db2.gz NDKBDGNHRPVYAK-ZDUSSCGKSA-N -1 0 338.429 2.717 20 30 EFEDRM C=C[C@@H](Nc1ccc(C(=O)NCc2ccccc2F)cc1)C(=O)[O-] ZINC001588702370 983920381 /nfs/dbraw/zinc/92/03/81/983920381.db2.gz RCFWPKJRTJBLNU-MRXNPFEDSA-N -1 0 328.343 2.807 20 30 EFEDRM C=C[C@H](Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)[O-] ZINC001588702565 983920834 /nfs/dbraw/zinc/92/08/34/983920834.db2.gz UYYGLBLAJCBGEN-INIZCTEOSA-N -1 0 346.408 2.680 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001588719162 983959014 /nfs/dbraw/zinc/95/90/14/983959014.db2.gz MLADSGDIGMPKLF-LLVKDONJSA-N -1 0 334.372 2.974 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001588719240 983959455 /nfs/dbraw/zinc/95/94/55/983959455.db2.gz OAGDSSHFPFJTRA-MNOVXSKESA-N -1 0 335.429 2.905 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588719319 983959616 /nfs/dbraw/zinc/95/96/16/983959616.db2.gz OZVVZPVXIUBUNA-YXXKGXSTSA-N -1 0 338.473 2.866 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588738011 984031867 /nfs/dbraw/zinc/03/18/67/984031867.db2.gz ZYLFEPALQAPAGB-GFCCVEGCSA-N -1 0 328.368 2.844 20 30 EFEDRM C=CC[C@@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccncc1 ZINC001588742355 984032273 /nfs/dbraw/zinc/03/22/73/984032273.db2.gz BHSLHCGLUNWXCD-GFCCVEGCSA-N -1 0 344.371 2.620 20 30 EFEDRM C=CC[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccncc1 ZINC001588743089 984035898 /nfs/dbraw/zinc/03/58/98/984035898.db2.gz RCJKSTMDEPGMIN-JTDSTZFVSA-N -1 0 343.427 2.985 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588743542 984037796 /nfs/dbraw/zinc/03/77/96/984037796.db2.gz ZVLXEXLLCBGTAC-GFCCVEGCSA-N -1 0 338.354 2.633 20 30 EFEDRM C=CCC(F)(F)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001588744289 984042138 /nfs/dbraw/zinc/04/21/38/984042138.db2.gz JIXGJSKLJWBMNK-UHFFFAOYSA-N -1 0 333.718 2.670 20 30 EFEDRM C=CCC(F)(F)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001588744748 984045265 /nfs/dbraw/zinc/04/52/65/984045265.db2.gz QIEAKZPGMMMWNF-NSHDSACASA-N -1 0 337.244 2.899 20 30 EFEDRM C=CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)[O-] ZINC001588751517 984076993 /nfs/dbraw/zinc/07/69/93/984076993.db2.gz NPCRTPFOAFEFNO-OAHLLOKOSA-N -1 0 327.384 2.711 20 30 EFEDRM C=CC[C@@H](OC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC001588754433 984094221 /nfs/dbraw/zinc/09/42/21/984094221.db2.gz ZWKDGUHDLDFNGO-CYBMUJFWSA-N -1 0 348.330 2.689 20 30 EFEDRM C=CC[C@H](OC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001588757497 984103279 /nfs/dbraw/zinc/10/32/79/984103279.db2.gz ABEXGHYDEHZHDB-ZDUSSCGKSA-N -1 0 347.346 2.716 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)[O-] ZINC001588757555 984103615 /nfs/dbraw/zinc/10/36/15/984103615.db2.gz BAKFTSICXRFFOS-SECBINFHSA-N -1 0 334.294 2.843 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nn(C(C)(C)C)cc1Br)C(=O)[O-] ZINC001588759488 984112097 /nfs/dbraw/zinc/11/20/97/984112097.db2.gz VBIVRTGBPNAQLK-SECBINFHSA-N -1 0 345.193 2.587 20 30 EFEDRM C=CC[C@H](Sc1ncc(CO)n1Cc1cccc(F)c1)C(=O)[O-] ZINC001588759510 984112225 /nfs/dbraw/zinc/11/22/25/984112225.db2.gz VPTGJBRWXIYKPR-AWEZNQCLSA-N -1 0 336.388 2.684 20 30 EFEDRM C=CC[C@H](OC(=O)c1nn(C(C)(C)C)cc1Br)C(=O)[O-] ZINC001588759489 984112229 /nfs/dbraw/zinc/11/22/29/984112229.db2.gz VBIVRTGBPNAQLK-VIFPVBQESA-N -1 0 345.193 2.587 20 30 EFEDRM C=CC[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)[O-] ZINC001588762801 984117603 /nfs/dbraw/zinc/11/76/03/984117603.db2.gz MYDBMARWFAULJH-VXGBXAGGSA-N -1 0 334.353 2.704 20 30 EFEDRM C=CCC1(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])CCCC1 ZINC001588763255 984118851 /nfs/dbraw/zinc/11/88/51/984118851.db2.gz RBCINAUJNMIVNA-HNNXBMFYSA-N -1 0 335.375 2.910 20 30 EFEDRM C=CCC1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)CCOCC1 ZINC001588764720 984122758 /nfs/dbraw/zinc/12/27/58/984122758.db2.gz HCPFIQXINRSXBH-UHFFFAOYSA-N -1 0 338.429 2.862 20 30 EFEDRM C=CCC1(NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCOCC1 ZINC001588766978 984127025 /nfs/dbraw/zinc/12/70/25/984127025.db2.gz BOFMBUDJKVPPSL-UHFFFAOYSA-N -1 0 344.371 2.508 20 30 EFEDRM C=CCC1(CNC(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCCC1 ZINC001588767017 984127531 /nfs/dbraw/zinc/12/75/31/984127531.db2.gz DPWKVFMRPQDBJE-ZDUSSCGKSA-N -1 0 326.462 2.582 20 30 EFEDRM C=CCC1(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCOCC1 ZINC001588767087 984128295 /nfs/dbraw/zinc/12/82/95/984128295.db2.gz IHJPPYIGDWHUFS-UHFFFAOYSA-N -1 0 336.363 2.700 20 30 EFEDRM C=CCC1(COC(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1 ZINC001588767281 984129477 /nfs/dbraw/zinc/12/94/77/984129477.db2.gz RUXLZJUWGGLPGT-UHFFFAOYSA-N -1 0 334.368 2.680 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2ccc(C)cc2C(=O)[O-])CCCC1 ZINC001588767266 984129517 /nfs/dbraw/zinc/12/95/17/984129517.db2.gz RCRMTUBTFOZFCW-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM C=CCC1(O)CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC001588769386 984133412 /nfs/dbraw/zinc/13/34/12/984133412.db2.gz SXEVYAZXPMHOCF-CYBMUJFWSA-N -1 0 349.452 2.795 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C1 ZINC001588770741 984135716 /nfs/dbraw/zinc/13/57/16/984135716.db2.gz FKBBJMPDLJSJQD-LBPRGKRZSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001588772597 984143510 /nfs/dbraw/zinc/14/35/10/984143510.db2.gz JLCKMNWXYPWBEF-SECBINFHSA-N -1 0 333.793 2.608 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC001588772552 984143555 /nfs/dbraw/zinc/14/35/55/984143555.db2.gz IKFVSISAUMJUDZ-SNVBAGLBSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)c2occc2C(=O)[O-])CCCC1(C)C ZINC001588774111 984150864 /nfs/dbraw/zinc/15/08/64/984150864.db2.gz TWJVVCYJVZMRMY-LBPRGKRZSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001588774271 984151406 /nfs/dbraw/zinc/15/14/06/984151406.db2.gz WCFJMHWDVRQGBO-MRXNPFEDSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588777029 984155004 /nfs/dbraw/zinc/15/50/04/984155004.db2.gz RRGHSGWXCVIKBM-UHFFFAOYSA-N -1 0 347.415 2.615 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001588777804 984157795 /nfs/dbraw/zinc/15/77/95/984157795.db2.gz LKWHOUKYSYXQKY-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778575 984161556 /nfs/dbraw/zinc/16/15/56/984161556.db2.gz FHKMIRGASNXYLO-PMPSAXMXSA-N -1 0 337.441 2.867 20 30 EFEDRM C=CCC[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778669 984161892 /nfs/dbraw/zinc/16/18/92/984161892.db2.gz IQRYKOISFDUGCX-BPUTZDHNSA-N -1 0 332.400 2.577 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCCC1 ZINC001588778949 984163402 /nfs/dbraw/zinc/16/34/02/984163402.db2.gz OJLDNDWLJAFGHA-UONOGXRCSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@@H]3C[C@H](C(=O)[O-])CCN3C2=O)CCCC1 ZINC001588779026 984164065 /nfs/dbraw/zinc/16/40/65/984164065.db2.gz QPEQQQMTUCEQCS-KGLIPLIRSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@H]3C[C@H](C(=O)[O-])CCN3C2=O)CCCC1 ZINC001588779028 984164200 /nfs/dbraw/zinc/16/42/00/984164200.db2.gz QPEQQQMTUCEQCS-ZIAGYGMSSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC001588781565 984167140 /nfs/dbraw/zinc/16/71/40/984167140.db2.gz BZJQUOCZFSFFFR-UHFFFAOYSA-N -1 0 327.402 2.783 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC001588781908 984169164 /nfs/dbraw/zinc/16/91/64/984169164.db2.gz LDCHAHZQHMUYIP-UHFFFAOYSA-N -1 0 327.402 2.783 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588783092 984176709 /nfs/dbraw/zinc/17/67/09/984176709.db2.gz XLXPDFUFWNJCBY-RRQGHBQHSA-N -1 0 346.427 2.947 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588785578 984181660 /nfs/dbraw/zinc/18/16/60/984181660.db2.gz IZZHVZMBDDDNMM-LBPRGKRZSA-N -1 0 343.387 2.832 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSCc1ccc(F)cc1)C(=O)[O-] ZINC001588788463 984190303 /nfs/dbraw/zinc/19/03/03/984190303.db2.gz CVCLABXEWGBQSC-AWEZNQCLSA-N -1 0 325.405 2.985 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCn1c(CC)nc2ccccc21)C(=O)[O-] ZINC001588788533 984190975 /nfs/dbraw/zinc/19/09/75/984190975.db2.gz FZYKAMZLRWARDK-HNNXBMFYSA-N -1 0 343.427 2.915 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001588788607 984191558 /nfs/dbraw/zinc/19/15/58/984191558.db2.gz IGDLLOZMUGIRHL-CYBMUJFWSA-N -1 0 339.338 2.853 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)C(=O)[O-] ZINC001588789614 984199907 /nfs/dbraw/zinc/19/99/07/984199907.db2.gz GLTGASWEWVERLW-RDJZCZTQSA-N -1 0 344.411 2.722 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2nnc(C)o2)cc1)C(=O)[O-] ZINC001588792478 984209912 /nfs/dbraw/zinc/20/99/12/984209912.db2.gz IIWFJJAMJXTKMC-CQSZACIVSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2nc(C)no2)cc1)C(=O)[O-] ZINC001588793112 984216586 /nfs/dbraw/zinc/21/65/86/984216586.db2.gz SPVIBBVGDLLOEJ-CQSZACIVSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)C(=O)[O-] ZINC001588793402 984218818 /nfs/dbraw/zinc/21/88/18/984218818.db2.gz XFLUTXHIRJHQMI-CQSZACIVSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001588793740 984221248 /nfs/dbraw/zinc/22/12/48/984221248.db2.gz ZPBIDUMWLMUYQW-NSHDSACASA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc2c(C)cc(F)cc2c1O)C(=O)[O-] ZINC001588793939 984222916 /nfs/dbraw/zinc/22/29/16/984222916.db2.gz GNPGXIVJJVPJIE-CQSZACIVSA-N -1 0 346.358 2.515 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588793932 984223145 /nfs/dbraw/zinc/22/31/45/984223145.db2.gz GCYNBEDRYIDHJM-JTQLQIEISA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC001588794344 984226620 /nfs/dbraw/zinc/22/66/20/984226620.db2.gz RMCKFJRZLLFLEA-APWZRJJASA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CCC(=O)[O-] ZINC001588794539 984227935 /nfs/dbraw/zinc/22/79/35/984227935.db2.gz YDZHVAMVEFVNND-CYBMUJFWSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncccc1NCC1CCC1)C(=O)[O-] ZINC001588797961 984232244 /nfs/dbraw/zinc/23/22/44/984232244.db2.gz PTZOPTOHZNNMLU-OAHLLOKOSA-N -1 0 331.416 2.833 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC001588797918 984232414 /nfs/dbraw/zinc/23/24/14/984232414.db2.gz NVUXUKKNBYRZOQ-DZGCQCFKSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001588799881 984242960 /nfs/dbraw/zinc/24/29/60/984242960.db2.gz NORAJEJFIINIKC-UHFFFAOYSA-N -1 0 341.429 2.760 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588808923 984264057 /nfs/dbraw/zinc/26/40/57/984264057.db2.gz QEHDGKPYKJTQKG-NWDGAFQWSA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588814766 984272893 /nfs/dbraw/zinc/27/28/93/984272893.db2.gz QGDGLHODPPSLLG-UHFFFAOYSA-N -1 0 345.420 2.982 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001588814721 984272924 /nfs/dbraw/zinc/27/29/24/984272924.db2.gz NEYFJKRBVFIZEF-CABCVRRESA-N -1 0 332.400 2.664 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001588814724 984272990 /nfs/dbraw/zinc/27/29/90/984272990.db2.gz NEYFJKRBVFIZEF-LSDHHAIUSA-N -1 0 332.400 2.664 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001588814833 984273474 /nfs/dbraw/zinc/27/34/74/984273474.db2.gz TWAAIHJOEWFQJQ-UKRRQHHQSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCCn1cc(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)nn1 ZINC001588817952 984277795 /nfs/dbraw/zinc/27/77/95/984277795.db2.gz YGUAQNVUUSKZLL-INIZCTEOSA-N -1 0 342.399 2.532 20 30 EFEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)nn1 ZINC001588820118 984282104 /nfs/dbraw/zinc/28/21/04/984282104.db2.gz QZNYRCKMHMHIJN-SFHVURJKSA-N -1 0 336.395 2.923 20 30 EFEDRM C=CCCn1cc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)nn1 ZINC001588820117 984282343 /nfs/dbraw/zinc/28/23/43/984282343.db2.gz QZNYRCKMHMHIJN-GOSISDBHSA-N -1 0 336.395 2.923 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001588820260 984283383 /nfs/dbraw/zinc/28/33/83/984283383.db2.gz YBFFGPAMDGYYGC-UHFFFAOYSA-N -1 0 338.363 2.654 20 30 EFEDRM C=CCN(Cc1cc(C(=O)[O-])c(C)o1)S(=O)(=O)c1cccs1 ZINC001588829401 984314907 /nfs/dbraw/zinc/31/49/07/984314907.db2.gz YRUSSRRTIIFHLD-UHFFFAOYSA-N -1 0 341.410 2.725 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001588831857 984317826 /nfs/dbraw/zinc/31/78/26/984317826.db2.gz UIHFEUYKIWNVGE-UHFFFAOYSA-N -1 0 328.343 2.676 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001588832341 984321634 /nfs/dbraw/zinc/32/16/34/984321634.db2.gz DWTXIUCNNXSKCS-UHFFFAOYSA-N -1 0 329.400 2.757 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1CC(=O)[O-] ZINC001588832498 984322783 /nfs/dbraw/zinc/32/27/83/984322783.db2.gz HVYTWUGLOXYFEC-UHFFFAOYSA-N -1 0 344.323 2.643 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC001588832950 984328318 /nfs/dbraw/zinc/32/83/18/984328318.db2.gz ZUQNDOJMLWDOJK-UHFFFAOYSA-N -1 0 338.363 2.915 20 30 EFEDRM C=CCNC(=O)[C@H](C)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588838662 984339601 /nfs/dbraw/zinc/33/96/01/984339601.db2.gz HOISWDPBUYDHEJ-NSHDSACASA-N -1 0 330.409 2.857 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001588849260 984369502 /nfs/dbraw/zinc/36/95/02/984369502.db2.gz HFUWVXQXYWIYMY-CYBMUJFWSA-N -1 0 345.424 2.995 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)[O-] ZINC001588859608 984407115 /nfs/dbraw/zinc/40/71/15/984407115.db2.gz RFQIWXSDMGRSRM-NSHDSACASA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001588873471 984444329 /nfs/dbraw/zinc/44/43/29/984444329.db2.gz AZPCXTQBPQGNOW-SFHVURJKSA-N -1 0 343.354 2.875 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001588873812 984445918 /nfs/dbraw/zinc/44/59/18/984445918.db2.gz MONOQSOMVLANTN-UHFFFAOYSA-N -1 0 329.352 2.710 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NOCCCC(=O)[O-] ZINC001588874880 984449443 /nfs/dbraw/zinc/44/94/43/984449443.db2.gz JMRARMCJBPWINA-UHFFFAOYSA-N -1 0 347.289 2.796 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(OC)[C@H](C)CC(=O)[O-])cc1OC ZINC001588875095 984451144 /nfs/dbraw/zinc/45/11/44/984451144.db2.gz VQKNCNHRCIBVKF-BUUCAEBMSA-N -1 0 349.383 2.526 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]1C(=O)[O-] ZINC001588875164 984451745 /nfs/dbraw/zinc/45/17/45/984451745.db2.gz ZFYPVJRLNQDUHW-NSHDSACASA-N -1 0 329.274 2.569 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588877473 984453299 /nfs/dbraw/zinc/45/32/99/984453299.db2.gz RJNONXNOYAXTEU-DZGCQCFKSA-N -1 0 332.400 2.694 20 30 EFEDRM C=CCOc1ccccc1CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588877517 984453916 /nfs/dbraw/zinc/45/39/16/984453916.db2.gz WTEUWHMOHWLEHG-UHFFFAOYSA-N -1 0 340.379 2.678 20 30 EFEDRM C=CC[S@@](=O)(=NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC001588878471 984454475 /nfs/dbraw/zinc/45/44/75/984454475.db2.gz ABWKZAAGZMDFSW-QHCPKHFHSA-N -1 0 333.365 2.760 20 30 EFEDRM C=CC[S@](=O)(=NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC001588878470 984454556 /nfs/dbraw/zinc/45/45/56/984454556.db2.gz ABWKZAAGZMDFSW-HSZRJFAPSA-N -1 0 333.365 2.760 20 30 EFEDRM C=CCSCCNC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588879711 984458476 /nfs/dbraw/zinc/45/84/76/984458476.db2.gz KGZSBPFSXIZTTK-SNVBAGLBSA-N -1 0 342.392 2.718 20 30 EFEDRM C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001588879828 984459483 /nfs/dbraw/zinc/45/94/83/984459483.db2.gz RTBTWZYYWIBTAO-NEPJUHHUSA-N -1 0 349.408 2.557 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C/c1cnccn1 ZINC001588882387 984462693 /nfs/dbraw/zinc/46/26/93/984462693.db2.gz QBZPSGFGDKQOSR-AATRIKPKSA-N -1 0 340.335 2.531 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC001588882449 984463079 /nfs/dbraw/zinc/46/30/79/984463079.db2.gz SVOAJVSVDNSBKI-COPLHBTASA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@]1(C)CC(C)=NO1 ZINC001588882518 984463627 /nfs/dbraw/zinc/46/36/27/984463627.db2.gz XGMKLJRSFBBEAX-KRWDZBQOSA-N -1 0 333.340 2.582 20 30 EFEDRM C=CCc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc(OC)c1OC ZINC001588882509 984463639 /nfs/dbraw/zinc/46/36/39/984463639.db2.gz WXJMUGRFFRZMJU-GFCCVEGCSA-N -1 0 347.411 2.900 20 30 EFEDRM C=CCc1cc(C(=O)NCc2ccoc2C(=O)[O-])cc(OC)c1OC ZINC001588882472 984463727 /nfs/dbraw/zinc/46/37/27/984463727.db2.gz VJMHETWNSGNACU-UHFFFAOYSA-N -1 0 345.351 2.654 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCOC[C@H]1C ZINC001588882557 984464242 /nfs/dbraw/zinc/46/42/42/984464242.db2.gz YPQNHCVUTUAINI-RISCZKNCSA-N -1 0 334.368 2.700 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001588885212 984466324 /nfs/dbraw/zinc/46/63/24/984466324.db2.gz HKSBWXIJNRJNCL-UHFFFAOYSA-N -1 0 344.367 2.704 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588885224 984466378 /nfs/dbraw/zinc/46/63/78/984466378.db2.gz HVVNIZSKVMTJQL-XJKSGUPXSA-N -1 0 334.368 2.742 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001588886459 984471900 /nfs/dbraw/zinc/47/19/00/984471900.db2.gz IKCKGMOYMUGBDL-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588889417 984479450 /nfs/dbraw/zinc/47/94/50/984479450.db2.gz UKTCPGGKHDQRPF-HNNXBMFYSA-N -1 0 349.394 2.590 20 30 EFEDRM C=CCn1c(-c2ncoc2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588891863 984490026 /nfs/dbraw/zinc/49/00/26/984490026.db2.gz VMEPSLBJHWTZCS-UHFFFAOYSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c([C@H](O)/C=C/CC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895623 984495080 /nfs/dbraw/zinc/49/50/80/984495080.db2.gz JZNMGGFVGYRNBJ-LLYBFZRZSA-N -1 0 348.447 2.545 20 30 EFEDRM C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896743 984504249 /nfs/dbraw/zinc/50/42/49/984504249.db2.gz LFCSBEMMPZHMCF-CABCVRRESA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588896746 984504316 /nfs/dbraw/zinc/50/43/16/984504316.db2.gz LFCSBEMMPZHMCF-LSDHHAIUSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCn1c([C@@H](C)c2ccsc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588897368 984509865 /nfs/dbraw/zinc/50/98/65/984509865.db2.gz YIDILBMTXICQHD-YVEFUNNKSA-N -1 0 346.456 2.978 20 30 EFEDRM C=CCn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001588904049 984526440 /nfs/dbraw/zinc/52/64/40/984526440.db2.gz FHIDUEUGYIZGDR-QGZVFWFLSA-N -1 0 345.447 2.737 20 30 EFEDRM C=CCn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCC=CO1 ZINC001588904122 984527168 /nfs/dbraw/zinc/52/71/68/984527168.db2.gz HYBVAMMBQBNLOK-ROUUACIJSA-N -1 0 346.431 2.695 20 30 EFEDRM C=CCn1c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588904985 984534412 /nfs/dbraw/zinc/53/44/12/984534412.db2.gz KWHMFCVDVBRLSZ-PMUMKWKESA-N -1 0 346.431 2.550 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1cccs1 ZINC001588907143 984538217 /nfs/dbraw/zinc/53/82/17/984538217.db2.gz CISQDMYZHKMKBV-UHFFFAOYSA-N -1 0 337.426 2.719 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccc(C)cc1 ZINC001588907123 984538262 /nfs/dbraw/zinc/53/82/62/984538262.db2.gz AVWIBBFPVCJWJZ-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)cc2n1 ZINC001588909018 984541741 /nfs/dbraw/zinc/54/17/41/984541741.db2.gz FLUPPWGNTOUAKX-OCCSQVGLSA-N -1 0 342.399 2.987 20 30 EFEDRM C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)nn1 ZINC001588909854 984545993 /nfs/dbraw/zinc/54/59/93/984545993.db2.gz BXRLDHASRMFOKF-UHFFFAOYSA-N -1 0 341.154 2.721 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001588916499 984561098 /nfs/dbraw/zinc/56/10/98/984561098.db2.gz PQFLMSLKHNPDHT-AGIUHOORSA-N -1 0 326.295 2.825 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588916542 984561591 /nfs/dbraw/zinc/56/15/91/984561591.db2.gz RGSFTZINJIPQAT-UXLLHSPISA-N -1 0 329.396 2.512 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588917088 984565187 /nfs/dbraw/zinc/56/51/87/984565187.db2.gz OHABNXXWTHWDQO-IXDOHACOSA-N -1 0 325.364 2.673 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588919710 984573385 /nfs/dbraw/zinc/57/33/85/984573385.db2.gz JPDOUWMXTPNHKX-KGLIPLIRSA-N -1 0 336.413 2.718 20 30 EFEDRM CC#CCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588926957 984595147 /nfs/dbraw/zinc/59/51/47/984595147.db2.gz FDGKGALWFNKRFB-LSDHHAIUSA-N -1 0 334.803 2.563 20 30 EFEDRM CC#CCCN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588926981 984595892 /nfs/dbraw/zinc/59/58/92/984595892.db2.gz HLNJQSRQWKVEAO-CQSZACIVSA-N -1 0 340.217 2.929 20 30 EFEDRM CC#CCCCC(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001588927072 984596657 /nfs/dbraw/zinc/59/66/57/984596657.db2.gz LPEHRGIAJUDPGY-UHFFFAOYSA-N -1 0 333.384 2.819 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccccc1CC#N ZINC001599887338 984652378 /nfs/dbraw/zinc/65/23/78/984652378.db2.gz WTFPSUGVGDSVKN-OAHLLOKOSA-N -1 0 336.391 2.797 20 30 EFEDRM C[C@H](CC(=O)[O-])OC(=O)c1occc1COc1cccc(C#N)c1 ZINC001599890247 984685398 /nfs/dbraw/zinc/68/53/98/984685398.db2.gz MGYBHKUGCQPLEA-LLVKDONJSA-N -1 0 329.308 2.750 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001599943024 985478797 /nfs/dbraw/zinc/47/87/97/985478797.db2.gz YJDJSVQQVQQWRZ-OAHLLOKOSA-N -1 0 325.368 2.777 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001589187967 985581297 /nfs/dbraw/zinc/58/12/97/985581297.db2.gz PNJMSIDUGZWSRX-UHFFFAOYSA-N -1 0 338.319 2.572 20 30 EFEDRM Cc1[nH]c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001599952102 985625929 /nfs/dbraw/zinc/62/59/29/985625929.db2.gz GGHZGWOSDKUVRN-LJQANCHMSA-N -1 0 337.379 2.511 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)CSc1ccc(C#N)cc1 ZINC001589260538 985909496 /nfs/dbraw/zinc/90/94/96/985909496.db2.gz AFBQAXKQBTUQDZ-UHFFFAOYSA-N -1 0 343.364 2.518 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC001589260782 985912190 /nfs/dbraw/zinc/91/21/90/985912190.db2.gz HKZZLJUWHNOPQO-UHFFFAOYSA-N -1 0 339.351 2.585 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589273775 985977190 /nfs/dbraw/zinc/97/71/90/985977190.db2.gz NRUQAAZIHRZXSH-CQSZACIVSA-N -1 0 326.274 2.604 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599972855 986037709 /nfs/dbraw/zinc/03/77/09/986037709.db2.gz AICGJTVTDBRKLH-MRXNPFEDSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599972853 986037799 /nfs/dbraw/zinc/03/77/99/986037799.db2.gz AICGJTVTDBRKLH-INIZCTEOSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001599973268 986044607 /nfs/dbraw/zinc/04/46/07/986044607.db2.gz NQABLWVWPHOZSE-UHFFFAOYSA-N -1 0 329.381 2.983 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NCc2ccc(C(=O)[O-])cc2)n1 ZINC001596952557 986124097 /nfs/dbraw/zinc/12/40/97/986124097.db2.gz SWXDBLQSZVVXKX-UHFFFAOYSA-N -1 0 334.763 2.811 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[C@H](C(F)(F)F)O1 ZINC001594542907 986191544 /nfs/dbraw/zinc/19/15/44/986191544.db2.gz VOJIXULNSBMHLN-QMTHXVAHSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001589331995 986194828 /nfs/dbraw/zinc/19/48/28/986194828.db2.gz VLJCNFZGNSRJSP-NSHDSACASA-N -1 0 344.392 2.603 20 30 EFEDRM C[C@H](C#N)Oc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001589334173 986199072 /nfs/dbraw/zinc/19/90/72/986199072.db2.gz BDBKAVBCEUMBHK-LLVKDONJSA-N -1 0 329.356 2.689 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589334325 986199250 /nfs/dbraw/zinc/19/92/50/986199250.db2.gz CCSFRXFYQQEDFA-FPMFFAJLSA-N -1 0 343.383 2.552 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589334326 986199462 /nfs/dbraw/zinc/19/94/62/986199462.db2.gz CCSFRXFYQQEDFA-KWCYVHTRSA-N -1 0 343.383 2.552 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001597056226 986541744 /nfs/dbraw/zinc/54/17/44/986541744.db2.gz YFMSZUNYFRUMKG-CQSZACIVSA-N -1 0 333.388 2.968 20 30 EFEDRM C[C@@H]1Cc2cccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2O1 ZINC001594619700 986652841 /nfs/dbraw/zinc/65/28/41/986652841.db2.gz HNKDFYGRFCUWPB-PIGZYNQJSA-N -1 0 337.331 2.864 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC001589524303 987198296 /nfs/dbraw/zinc/19/82/96/987198296.db2.gz ZGZRJCJCJVEHSH-GFCCVEGCSA-N -1 0 337.331 2.594 20 30 EFEDRM CCC(C#N)(CC)C(=O)OCc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594722559 987214113 /nfs/dbraw/zinc/21/41/13/987214113.db2.gz QWANTETVBBODAA-UHFFFAOYSA-N -1 0 333.340 2.545 20 30 EFEDRM CC[C@@H](C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594725001 987225204 /nfs/dbraw/zinc/22/52/04/987225204.db2.gz HXFURCYIIOJUJP-GFCCVEGCSA-N -1 0 328.290 2.636 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001589553723 987293285 /nfs/dbraw/zinc/29/32/85/987293285.db2.gz IMGGLHRIKZBNBY-GFCCVEGCSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C(=O)NCc1ccoc1C(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001589572050 987343249 /nfs/dbraw/zinc/34/32/49/987343249.db2.gz KAKCKNBGIOYBMM-UHFFFAOYSA-N -1 0 330.315 2.583 20 30 EFEDRM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001589574754 987348537 /nfs/dbraw/zinc/34/85/37/987348537.db2.gz JSUYHDPKSVPIMA-SWLSCSKDSA-N -1 0 332.375 2.735 20 30 EFEDRM CCc1c(C)sc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1C#N ZINC001597415119 987714597 /nfs/dbraw/zinc/71/45/97/987714597.db2.gz FAWNQXXOIXZMPB-UHFFFAOYSA-N -1 0 346.412 2.804 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001597423773 987745100 /nfs/dbraw/zinc/74/51/00/987745100.db2.gz GDROHSFCIADTQB-UHFFFAOYSA-N -1 0 349.339 2.726 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597424649 987748555 /nfs/dbraw/zinc/74/85/55/987748555.db2.gz WBJZPNAJKJPXKH-UHFFFAOYSA-N -1 0 331.349 2.587 20 30 EFEDRM CCc1ccc(-c2nc(C(=O)N(CC#N)CCC(=O)[O-])cs2)cc1 ZINC001597492412 988028053 /nfs/dbraw/zinc/02/80/53/988028053.db2.gz OUZTVWKKNFQVTP-UHFFFAOYSA-N -1 0 343.408 2.813 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001597494952 988039409 /nfs/dbraw/zinc/03/94/09/988039409.db2.gz MONBHARNZGGUPF-QFIPXVFZSA-N -1 0 347.414 2.855 20 30 EFEDRM CSc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1C ZINC001599808694 988297680 /nfs/dbraw/zinc/29/76/80/988297680.db2.gz MFPKITIZPWKAAB-UHFFFAOYSA-N -1 0 333.413 2.939 20 30 EFEDRM CSc1ccc(CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC001599812741 988365636 /nfs/dbraw/zinc/36/56/36/988365636.db2.gz BZMNDBWNDRYHDR-RISCZKNCSA-N -1 0 347.440 2.723 20 30 EFEDRM CSc1ccc(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1C#N ZINC001599813061 988372776 /nfs/dbraw/zinc/37/27/76/988372776.db2.gz KRMXLMRCHFKVLB-HWKANZROSA-N -1 0 342.376 2.901 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1C ZINC001597594831 988434165 /nfs/dbraw/zinc/43/41/65/988434165.db2.gz WUFUPWIJLRWPRW-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnn(CCC#N)c1C ZINC001597595088 988438873 /nfs/dbraw/zinc/43/88/73/988438873.db2.gz ZTOCWBLOZIYXGB-UHFFFAOYSA-N -1 0 326.356 2.618 20 30 EFEDRM CC(C)(C)OC(=O)CCNN=Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589877799 988541766 /nfs/dbraw/zinc/54/17/66/988541766.db2.gz HGTCJVPVJXWGGF-UHFFFAOYSA-N -1 0 326.780 2.694 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001599834102 988716753 /nfs/dbraw/zinc/71/67/53/988716753.db2.gz GHZAXUAKOKIZLH-ZDUSSCGKSA-N -1 0 338.363 2.730 20 30 EFEDRM CC(C)(C)OC(=O)NC1(CNc2ccc(C(=O)[O-])nc2C#N)CCC1 ZINC001590133693 989381884 /nfs/dbraw/zinc/38/18/84/989381884.db2.gz PIQBBMXVRLJQRY-UHFFFAOYSA-N -1 0 346.387 2.511 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)O[C@H]1C(=O)[O-] ZINC001599876965 989431740 /nfs/dbraw/zinc/43/17/40/989431740.db2.gz ZQUABEDYFSFGGP-GGZOMVNGSA-N -1 0 336.413 2.734 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC001599877350 989436217 /nfs/dbraw/zinc/43/62/17/989436217.db2.gz MSSDMMWFFVYOBW-IUODEOHRSA-N -1 0 332.425 2.503 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2cscc2C#N)[C@@H]1C(=O)[O-] ZINC001599880643 989478845 /nfs/dbraw/zinc/47/88/45/989478845.db2.gz XVPDHDZYARRZHL-BMIGLBTASA-N -1 0 326.377 2.912 20 30 EFEDRM CCn1c2ccccc2n(CN2CCC(C#N)(C(=O)[O-])CC2)c1=S ZINC001597835967 989519258 /nfs/dbraw/zinc/51/92/58/989519258.db2.gz FPDIITARQZUGKG-UHFFFAOYSA-N -1 0 344.440 2.840 20 30 EFEDRM CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597839408 989529683 /nfs/dbraw/zinc/52/96/83/989529683.db2.gz ADRFWNNUOVKIMA-KBPBESRZSA-N -1 0 333.436 2.786 20 30 EFEDRM CCn1nc(C2CC2)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597946249 989934303 /nfs/dbraw/zinc/93/43/03/989934303.db2.gz XEUJWRWMHJYQNW-INIZCTEOSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)c2ccccc21 ZINC001597946293 989935839 /nfs/dbraw/zinc/93/58/39/989935839.db2.gz ZZPNLGRMOZYNNX-LUAWRHEFSA-N -1 0 336.351 2.621 20 30 EFEDRM CC(C)(C)c1cc2n(n1)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590472074 990042850 /nfs/dbraw/zinc/04/28/50/990042850.db2.gz HRVYCAYYCFIIAL-QGZVFWFLSA-N -1 0 338.411 2.694 20 30 EFEDRM CN(C(=O)C#CC1CC1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001597981839 990047934 /nfs/dbraw/zinc/04/79/34/990047934.db2.gz GTPMJJAMFBQHNH-GFCCVEGCSA-N -1 0 342.214 2.508 20 30 EFEDRM CC(C)(C)c1nc(NC(=O)c2cc(C#N)ccn2)sc1C(=O)[O-] ZINC001590545458 990181728 /nfs/dbraw/zinc/18/17/28/990181728.db2.gz WNISDJMIDFFEAU-UHFFFAOYSA-N -1 0 330.369 2.658 20 30 EFEDRM CN(C(=O)CCc1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598017981 990196771 /nfs/dbraw/zinc/19/67/71/990196771.db2.gz RXJCIDAQRDRUQB-UHFFFAOYSA-N -1 0 338.363 2.617 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC001590588470 990237287 /nfs/dbraw/zinc/23/72/87/990237287.db2.gz APJMXOQJQRHPLU-UHFFFAOYSA-N -1 0 340.383 2.779 20 30 EFEDRM CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC(=O)[O-] ZINC001590713513 990468546 /nfs/dbraw/zinc/46/85/46/990468546.db2.gz LDGYFRRHPIMDTK-UHFFFAOYSA-N -1 0 329.400 2.733 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001590821854 990659753 /nfs/dbraw/zinc/65/97/53/990659753.db2.gz FSYRUQWSSJPYHR-UHFFFAOYSA-N -1 0 343.427 2.822 20 30 EFEDRM CC(C)(NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc(C#N)c1 ZINC001590854847 990736605 /nfs/dbraw/zinc/73/66/05/990736605.db2.gz MQLYWLZQPQJEDU-CLWVCHIJSA-N -1 0 341.411 2.592 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590905442 990869813 /nfs/dbraw/zinc/86/98/13/990869813.db2.gz YPHJFHOATLHMQP-RRCSTGOVSA-N -1 0 343.379 2.758 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN([C@@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001590954601 991024499 /nfs/dbraw/zinc/02/44/99/991024499.db2.gz ZEZYWEXHUHOSCW-JKSUJKDBSA-N -1 0 335.835 2.631 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC001598294629 991221359 /nfs/dbraw/zinc/22/13/59/991221359.db2.gz MYKRJWJGJRETAE-UHFFFAOYSA-N -1 0 330.388 2.608 20 30 EFEDRM COc1ccccc1C[C@@](C)(OC(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC001599705741 991289650 /nfs/dbraw/zinc/28/96/50/991289650.db2.gz WNEPGBCBUTZXTJ-QGZVFWFLSA-N -1 0 345.376 2.871 20 30 EFEDRM COc1ccccc1C[C@@H](CNc1c(C#N)cccc1C#N)C(=O)[O-] ZINC001599708268 991325817 /nfs/dbraw/zinc/32/58/17/991325817.db2.gz YBCIXGQRDYVEAG-INIZCTEOSA-N -1 0 335.363 2.794 20 30 EFEDRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001591046048 991432651 /nfs/dbraw/zinc/43/26/51/991432651.db2.gz ZPLDRACZDNYSPX-HNNXBMFYSA-N -1 0 338.791 2.570 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591051424 991450131 /nfs/dbraw/zinc/45/01/31/991450131.db2.gz BUYLKJCVONOVRR-QIIPPGSGSA-N -1 0 344.411 2.721 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001591052051 991455433 /nfs/dbraw/zinc/45/54/33/991455433.db2.gz LKNUOJKJOZDGQA-QAPCUYQASA-N -1 0 344.411 2.579 20 30 EFEDRM COc1ccccc1OC[C@H](C)CNc1ccc(C(=O)[O-])nc1C#N ZINC001599716726 991468638 /nfs/dbraw/zinc/46/86/38/991468638.db2.gz ICSHPOOVFPWBSE-GFCCVEGCSA-N -1 0 341.367 2.787 20 30 EFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598419540 991753999 /nfs/dbraw/zinc/75/39/99/991753999.db2.gz LRIONYPGJNDHIH-UHFFFAOYSA-N -1 0 346.408 2.708 20 30 EFEDRM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001591118555 991784261 /nfs/dbraw/zinc/78/42/61/991784261.db2.gz VCJLBDIJEWMRFU-LBPRGKRZSA-N -1 0 346.408 2.755 20 30 EFEDRM CN(CCC#N)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001598468129 991982292 /nfs/dbraw/zinc/98/22/92/991982292.db2.gz HQSRFHKRIKNJKQ-UHFFFAOYSA-N -1 0 330.388 2.752 20 30 EFEDRM CC(C)C[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001591188142 991991963 /nfs/dbraw/zinc/99/19/63/991991963.db2.gz JDKRHZWOZYBRLO-CJNGLKHVSA-N -1 0 348.374 2.566 20 30 EFEDRM CN(CCCOc1ccc(F)cc1)c1ccc(C(=O)[O-])nc1C#N ZINC001598482093 992169947 /nfs/dbraw/zinc/16/99/47/992169947.db2.gz AIGGQEVEFPMGMC-UHFFFAOYSA-N -1 0 329.331 2.696 20 30 EFEDRM CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591513937 992671907 /nfs/dbraw/zinc/67/19/07/992671907.db2.gz MAPRBAQGPVYSNR-SFHVURJKSA-N -1 0 347.463 2.717 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(C#N)c1F ZINC001598523872 992694352 /nfs/dbraw/zinc/69/43/52/992694352.db2.gz JIIPJMZEDZUMHW-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM CN1C(=O)CCc2cc(/C=C\C(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC001598551451 993008255 /nfs/dbraw/zinc/00/82/55/993008255.db2.gz CKYHJGUPSLBDGL-UTCJRWHESA-N -1 0 325.320 2.783 20 30 EFEDRM C[C@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C#N)cc1 ZINC001593079509 993649101 /nfs/dbraw/zinc/64/91/01/993649101.db2.gz VJVHOYIPPMZOMQ-JTQLQIEISA-N -1 0 342.355 2.540 20 30 EFEDRM COc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1C#N ZINC001599595394 993742546 /nfs/dbraw/zinc/74/25/46/993742546.db2.gz HGMSURFOTQHQSR-OAHLLOKOSA-N -1 0 339.351 2.557 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CCC[C@H](C(=O)[O-])C2)cc1F ZINC001599596468 993754113 /nfs/dbraw/zinc/75/41/13/993754113.db2.gz DBZIQXPZDUYSNA-VIFPVBQESA-N -1 0 339.392 2.752 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593116214 993807252 /nfs/dbraw/zinc/80/72/52/993807252.db2.gz YTYOYWJMJJDLNT-SSDOTTSWSA-N -1 0 334.332 2.735 20 30 EFEDRM COc1ccc(OCCCNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599605831 993883844 /nfs/dbraw/zinc/88/38/44/993883844.db2.gz ATSZUQZFYBZYAR-UHFFFAOYSA-N -1 0 327.340 2.541 20 30 EFEDRM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593139392 993915498 /nfs/dbraw/zinc/91/54/98/993915498.db2.gz XZGRHIDCHPMEIK-JIMOISOXSA-N -1 0 341.392 2.694 20 30 EFEDRM C[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593184438 994088301 /nfs/dbraw/zinc/08/83/01/994088301.db2.gz CDVHNIVTYBRICW-SNVBAGLBSA-N -1 0 330.365 2.574 20 30 EFEDRM COc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CCO2 ZINC001599631214 994221103 /nfs/dbraw/zinc/22/11/03/994221103.db2.gz ZLRBBZSDOXSDLL-GOSISDBHSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NCc2nc(C#N)cs2)c1 ZINC001599655652 994574850 /nfs/dbraw/zinc/57/48/50/994574850.db2.gz NBNSXWMONUMPFW-MRXNPFEDSA-N -1 0 331.397 2.503 20 30 EFEDRM CNc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(Cl)n1 ZINC001598675881 994842061 /nfs/dbraw/zinc/84/20/61/994842061.db2.gz IYLJAJDMYXOOJB-AWEZNQCLSA-N -1 0 345.742 2.631 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598677788 994874758 /nfs/dbraw/zinc/87/47/58/994874758.db2.gz FHHPXWGTKGKEKS-AUUYWEPGSA-N -1 0 335.363 2.797 20 30 EFEDRM COC(=O)[C@@H](C)Cc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001598691268 995070579 /nfs/dbraw/zinc/07/05/79/995070579.db2.gz WROZOTIBMMCUQJ-NSHDSACASA-N -1 0 339.351 2.747 20 30 EFEDRM COC(=O)[C@H](NCc1ccc(C)c(C#N)c1)c1cccc(C(=O)[O-])c1 ZINC001598709557 995331254 /nfs/dbraw/zinc/33/12/54/995331254.db2.gz PFOSAZTUHSEERD-QGZVFWFLSA-N -1 0 338.363 2.569 20 30 EFEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001598711776 995357586 /nfs/dbraw/zinc/35/75/86/995357586.db2.gz LSRRWSDIZZQYQD-MRXNPFEDSA-N -1 0 342.351 2.504 20 30 EFEDRM COC(=O)[C@H](c1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598715362 995399273 /nfs/dbraw/zinc/39/92/73/995399273.db2.gz FCSFFJOKYOLSNM-KRWDZBQOSA-N -1 0 338.363 2.603 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1F)C(=O)[O-] ZINC001593625901 995892082 /nfs/dbraw/zinc/89/20/82/995892082.db2.gz BDZFJFAPTLWDNV-LLVKDONJSA-N -1 0 349.362 2.835 20 30 EFEDRM C[C@@H](Oc1ccccc1C=NNCCc1ccccc1F)C(=O)[O-] ZINC001593646481 995985416 /nfs/dbraw/zinc/98/54/16/995985416.db2.gz XVQRKKXEKUXMIT-CYBMUJFWSA-N -1 0 330.359 2.844 20 30 EFEDRM C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC001593679882 996104503 /nfs/dbraw/zinc/10/45/03/996104503.db2.gz PGSPHCJHZZRPNI-LLVKDONJSA-N -1 0 344.396 2.535 20 30 EFEDRM C[C@@H](Sc1nc(C(=O)[O-])cs1)C(=O)Nc1ccccc1C#N ZINC001593680419 996108744 /nfs/dbraw/zinc/10/87/44/996108744.db2.gz ZJCFKIFGVUVIFM-MRVPVSSYSA-N -1 0 333.394 2.832 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001593690158 996135092 /nfs/dbraw/zinc/13/50/92/996135092.db2.gz PCETYFRZZSWMPN-ACJLOTCBSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001593699249 996169232 /nfs/dbraw/zinc/16/92/32/996169232.db2.gz ROSITTDSQIVOKX-VBNZEHGJSA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001593724435 996266579 /nfs/dbraw/zinc/26/65/79/996266579.db2.gz GUQBIBSSFRLHHJ-LBPRGKRZSA-N -1 0 341.367 2.849 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001593742998 996364468 /nfs/dbraw/zinc/36/44/68/996364468.db2.gz LVDYJDPFBOLNRF-HNNXBMFYSA-N -1 0 339.298 2.754 20 30 EFEDRM CC(C)(CC#N)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001593783080 996491994 /nfs/dbraw/zinc/49/19/94/996491994.db2.gz JDJKTBKUXYEMFQ-SFHVURJKSA-N -1 0 345.447 2.570 20 30 EFEDRM CC1(C)C[C@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C(C)(C)O1 ZINC001593848753 996621266 /nfs/dbraw/zinc/62/12/66/996621266.db2.gz YXNMPMOPFZSMFY-OAHLLOKOSA-N -1 0 330.380 2.873 20 30 EFEDRM COC[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001599177287 996872869 /nfs/dbraw/zinc/87/28/69/996872869.db2.gz XSUSGVPGYYCRBR-KRWDZBQOSA-N -1 0 328.343 2.873 20 30 EFEDRM CC1(C)CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C(F)(F)F)O1 ZINC001593942420 996968120 /nfs/dbraw/zinc/96/81/20/996968120.db2.gz JVHSQBUCIGIHRE-CYBMUJFWSA-N -1 0 342.317 2.798 20 30 EFEDRM COCc1cc(NC(=O)NCC2(C#N)CCCC2)cc(C(=O)[O-])c1 ZINC001599287965 997013518 /nfs/dbraw/zinc/01/35/18/997013518.db2.gz WPYVAUJXPWDEPG-UHFFFAOYSA-N -1 0 331.372 2.737 20 30 EFEDRM COCc1cc(NC(=O)c2ccc(C=NOC)cc2)cc(C(=O)[O-])c1 ZINC001599288837 997027681 /nfs/dbraw/zinc/02/76/81/997027681.db2.gz UGYXPGQRWDFPCS-UHFFFAOYSA-N -1 0 342.351 2.764 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(c1c(C#N)cccc1C#N)CC2 ZINC001599498120 997055633 /nfs/dbraw/zinc/05/56/33/997055633.db2.gz CLXMHBMNRFVNSN-UHFFFAOYSA-N -1 0 333.347 2.699 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1sccc1C#N)CC2 ZINC001599498193 997056224 /nfs/dbraw/zinc/05/62/24/997056224.db2.gz XNCWCYHNZIIEJF-UHFFFAOYSA-N -1 0 342.376 2.525 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001599498386 997060664 /nfs/dbraw/zinc/06/06/64/997060664.db2.gz MOVOFJKLIOHSPK-UHFFFAOYSA-N -1 0 343.770 2.876 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1Cn1nnc(-c2ccccc2)c1C#N ZINC001599501224 997125232 /nfs/dbraw/zinc/12/52/32/997125232.db2.gz GHQTYLZCKSTNQI-UHFFFAOYSA-N -1 0 334.335 2.572 20 30 EFEDRM CC1(C)[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC001593987159 997226019 /nfs/dbraw/zinc/22/60/19/997226019.db2.gz IJOZLJQKNOOULA-CABCVRRESA-N -1 0 326.396 2.643 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)c(OC)c1 ZINC001599508839 997259599 /nfs/dbraw/zinc/25/95/99/997259599.db2.gz XJVZVBPGSHQVPV-LEBHLANCSA-N -1 0 345.351 2.750 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)c(OC)c1 ZINC001599508841 997259788 /nfs/dbraw/zinc/25/97/88/997259788.db2.gz XJVZVBPGSHQVPV-SAGYFLTASA-N -1 0 345.351 2.750 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])c2cc(F)ccc2C#N)cc(OC)c1 ZINC001599406406 997311604 /nfs/dbraw/zinc/31/16/04/997311604.db2.gz CXSKDTYZJLPWSU-UHFFFAOYSA-N -1 0 344.342 2.806 20 30 EFEDRM COc1ccc([C@H](NC(=O)CC2(C#N)CCCCC2)C(=O)[O-])cc1O ZINC001599517355 997414939 /nfs/dbraw/zinc/41/49/39/997414939.db2.gz ABGWYJPDVFQDKC-INIZCTEOSA-N -1 0 346.383 2.507 20 30 EFEDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])C1 ZINC001599107208 997501299 /nfs/dbraw/zinc/50/12/99/997501299.db2.gz LFKJWDRJLYIELM-LXZKKBNFSA-N -1 0 344.411 2.563 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])cc1 ZINC001599523145 997514651 /nfs/dbraw/zinc/51/46/51/997514651.db2.gz QTURGRGLHPZBKJ-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2[nH]c3ccccc3c2C#N)C(=O)[O-])cc1 ZINC001599523404 997519530 /nfs/dbraw/zinc/51/95/30/997519530.db2.gz SVARJGXLFOOBND-INIZCTEOSA-N -1 0 349.346 2.604 20 30 EFEDRM COc1cc(CNc2c(C#N)nnc3ccccc32)ccc1C(=O)[O-] ZINC001599418716 997556449 /nfs/dbraw/zinc/55/64/49/997556449.db2.gz OFCMYLUEZKZORV-UHFFFAOYSA-N -1 0 334.335 2.820 20 30 EFEDRM CON=Cc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001599320793 997577584 /nfs/dbraw/zinc/57/75/84/997577584.db2.gz MHRXDCWIOPNVDR-INIZCTEOSA-N -1 0 332.400 2.678 20 30 EFEDRM CON=Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599321120 997583225 /nfs/dbraw/zinc/58/32/25/997583225.db2.gz VKDFFABPPSYKRQ-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001599321311 997586314 /nfs/dbraw/zinc/58/63/14/997586314.db2.gz XRRGIVDIEFDAQR-UHFFFAOYSA-N -1 0 330.315 2.685 20 30 EFEDRM CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599114150 997623560 /nfs/dbraw/zinc/62/35/60/997623560.db2.gz XILQUPZECUNRJF-LXZKKBNFSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1cc(F)cc(C[C@H](C)Nc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599426052 997677757 /nfs/dbraw/zinc/67/77/57/997677757.db2.gz CHEZVHRRAFTJIX-JTQLQIEISA-N -1 0 329.331 2.842 20 30 EFEDRM COc1ccc(C)cc1NC(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001599535194 997730332 /nfs/dbraw/zinc/73/03/32/997730332.db2.gz GHQZSERCKDCRPB-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM C[C@]1(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055448 997783744 /nfs/dbraw/zinc/78/37/44/997783744.db2.gz BQJNXPADYCSHQA-KDOFPFPSSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1ccc([C@H]2CCN(c3ccc(C(=O)[O-])nc3C#N)C2)cc1F ZINC001599540046 997822089 /nfs/dbraw/zinc/82/20/89/997822089.db2.gz DUNXGSQQKSZAJX-LBPRGKRZSA-N -1 0 341.342 2.793 20 30 EFEDRM COCCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(C#N)cc1 ZINC001599232584 997889449 /nfs/dbraw/zinc/88/94/49/997889449.db2.gz NSOYTUZDKXWLJV-UHFFFAOYSA-N -1 0 342.326 2.689 20 30 EFEDRM COc1cc(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(F)cc1C#N ZINC001599440196 997918259 /nfs/dbraw/zinc/91/82/59/997918259.db2.gz PCPQNJBCJVJYNN-YPMHNXCESA-N -1 0 349.362 2.861 20 30 EFEDRM C[C@@]1(c2cccc(F)c2)CCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001594073196 997929533 /nfs/dbraw/zinc/92/95/33/997929533.db2.gz IKIYTCXKSWQRHH-GOSISDBHSA-N -1 0 325.343 2.959 20 30 EFEDRM C[C@@]1(c2ccc(F)cc2)CCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001594073877 997934777 /nfs/dbraw/zinc/93/47/77/997934777.db2.gz UEFGGYUESFFCLK-GOSISDBHSA-N -1 0 325.343 2.959 20 30 EFEDRM COc1cc(OC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1C#N ZINC001599445536 998002697 /nfs/dbraw/zinc/00/26/97/998002697.db2.gz FYDJFPCMYJRAAE-BEFAXECRSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccccc1[C@@H](OC)C(=O)[O-] ZINC001599347381 998033148 /nfs/dbraw/zinc/03/31/48/998033148.db2.gz DSNJMWQADXJNEF-QGZVFWFLSA-N -1 0 327.336 2.918 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599349087 998061940 /nfs/dbraw/zinc/06/19/40/998061940.db2.gz JAZDINZNXHLBKZ-HNNXBMFYSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C#N)ccc2C)c1O ZINC001599360654 998255966 /nfs/dbraw/zinc/25/59/66/998255966.db2.gz RFRYVZPRXJPRGK-UHFFFAOYSA-N -1 0 326.308 2.531 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(CC#N)c2)cc1C(=O)[O-] ZINC001599569726 998345859 /nfs/dbraw/zinc/34/58/59/998345859.db2.gz NTDAIJJSIXPBAF-UHFFFAOYSA-N -1 0 339.351 2.781 20 30 EFEDRM COc1ccc(CNc2c(C#N)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599573891 998409261 /nfs/dbraw/zinc/40/92/61/998409261.db2.gz OYZSHRIUCGVWDD-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1ccc(COC(=O)c2ccsc2CC(=O)[O-])cc1C#N ZINC001599574891 998426454 /nfs/dbraw/zinc/42/64/54/998426454.db2.gz APDDGHLVIJMWBN-UHFFFAOYSA-N -1 0 331.349 2.612 20 30 EFEDRM COc1ccc(CSCc2noc(CCCC(=O)[O-])n2)cc1C#N ZINC001599576390 998449631 /nfs/dbraw/zinc/44/96/31/998449631.db2.gz HXWPYXVDIOPFQO-UHFFFAOYSA-N -1 0 347.396 2.791 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001599374095 998459708 /nfs/dbraw/zinc/45/97/08/998459708.db2.gz LDUNTQYDWKKXSQ-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1ccc(C(=O)[O-])nc1 ZINC001599577483 998468993 /nfs/dbraw/zinc/46/89/93/998468993.db2.gz WOYPABXFOINWLB-UHFFFAOYSA-N -1 0 345.738 2.650 20 30 EFEDRM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CCCC#N)c1 ZINC001599474706 998509603 /nfs/dbraw/zinc/50/96/03/998509603.db2.gz DGTNEJHCROUDOP-ZDUSSCGKSA-N -1 0 341.205 2.819 20 30 EFEDRM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CCCC#N)c1 ZINC001599474705 998509878 /nfs/dbraw/zinc/50/98/78/998509878.db2.gz DGTNEJHCROUDOP-CYBMUJFWSA-N -1 0 341.205 2.819 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599476774 998545373 /nfs/dbraw/zinc/54/53/73/998545373.db2.gz NBHUTFRVRKGUHA-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599476926 998548137 /nfs/dbraw/zinc/54/81/37/998548137.db2.gz PIRJTQZTBPGRDG-UHFFFAOYSA-N -1 0 349.346 2.858 20 30 EFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001594156176 998566558 /nfs/dbraw/zinc/56/65/58/998566558.db2.gz JGBSDDOONUYTBG-KBXCAEBGSA-N -1 0 349.390 2.808 20 30 EFEDRM COC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2C#N)c(OC)c1 ZINC001598985787 998695208 /nfs/dbraw/zinc/69/52/08/998695208.db2.gz QAEWCNCOMLAJKQ-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1cccc(CNc2c(F)cc(C(=O)[O-])cc2F)c1C#N ZINC001598994620 998768134 /nfs/dbraw/zinc/76/81/34/998768134.db2.gz SCPNAFVYXODWEX-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N ZINC001594205870 998791511 /nfs/dbraw/zinc/79/15/11/998791511.db2.gz LZUHFBIZUSQKIB-CHWSQXEVSA-N -1 0 339.395 2.879 20 30 EFEDRM COC(=O)c1cccc(CSc2ncc(C(=O)[O-])s2)c1C#N ZINC001598998821 998805271 /nfs/dbraw/zinc/80/52/71/998805271.db2.gz CZPKYUIYGZUHDK-UHFFFAOYSA-N -1 0 334.378 2.792 20 30 EFEDRM C[C@@H]1C[C@]2(C[C@@H]2C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001594287742 999113520 /nfs/dbraw/zinc/11/35/20/999113520.db2.gz XFFDHGWANWOHOL-MZKGEVEHSA-N -1 0 329.352 2.505 20 30 EFEDRM C[C@@H]1CC[C@@](NC(=O)c2cccc(C#N)n2)(C(=O)[O-])c2ccccc21 ZINC001594321017 999232820 /nfs/dbraw/zinc/23/28/20/999232820.db2.gz BCAMQUBWTBOTOM-BLVKFPJESA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@@H]1CCc2sc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2C1 ZINC001594450691 999647828 /nfs/dbraw/zinc/64/78/28/999647828.db2.gz ISJDWCQLMQDGQI-LLVKDONJSA-N -1 0 332.425 2.703 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NCCO[C@@H](C)C#N ZINC001600068969 1094749839 /nfs/dbraw/zinc/74/98/39/1094749839.db2.gz ZTKPVYICQUOMQA-VIFPVBQESA-N -1 0 327.178 2.796 20 30 EFEDRM C[C@@H](CN(CC#N)CCC(=O)[O-])c1cccc(Br)c1 ZINC001604159315 1096756920 /nfs/dbraw/zinc/75/69/20/1096756920.db2.gz QVWCMYBVJLHVGI-NSHDSACASA-N -1 0 325.206 2.853 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001573302056 1087742659 /nfs/dbraw/zinc/74/26/59/1087742659.db2.gz ISZUBWXJOPDABM-MRXNPFEDSA-N -1 0 344.411 2.628 20 30 EFEDRM C#CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001573464016 1087794890 /nfs/dbraw/zinc/79/48/90/1087794890.db2.gz XEDBUCTUTNFVHR-QZTJIDSGSA-N -1 0 336.391 2.919 20 30 EFEDRM CC[C@@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C1 ZINC001646924748 1088579741 /nfs/dbraw/zinc/57/97/41/1088579741.db2.gz ODSYCBVBEXVGRZ-GFCCVEGCSA-N -1 0 338.415 2.564 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C)c1 ZINC001647176456 1089039585 /nfs/dbraw/zinc/03/95/85/1089039585.db2.gz XXSDOOCVULYOLB-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#CCC1(COC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC001647270298 1089188046 /nfs/dbraw/zinc/18/80/46/1089188046.db2.gz ZNPFYZULWZBXRN-UHFFFAOYSA-N -1 0 333.294 2.707 20 30 EFEDRM CCC(C)(C)c1ccc(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001576545555 1089322416 /nfs/dbraw/zinc/32/24/16/1089322416.db2.gz JSUVZCQCZOKTFG-UHFFFAOYSA-N -1 0 348.414 2.828 20 30 EFEDRM COc1cc(-c2nn[nH]n2)ccc1Oc1nc(C#N)c(Cl)s1 ZINC001579887074 1090715281 /nfs/dbraw/zinc/71/52/81/1090715281.db2.gz GZZVYDCRZAAXHY-UHFFFAOYSA-N -1 0 334.748 2.649 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001649732688 1092632761 /nfs/dbraw/zinc/63/27/61/1092632761.db2.gz UXDQTFQMGCOSQV-QLFBSQMISA-N -1 0 346.452 2.970 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2C)cc1 ZINC001649791353 1092682676 /nfs/dbraw/zinc/68/26/76/1092682676.db2.gz CJHVRJNPUWJDHX-UHFFFAOYSA-N -1 0 328.393 2.548 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)CCCC1 ZINC000835248754 1092842494 /nfs/dbraw/zinc/84/24/94/1092842494.db2.gz JIEKOESLSFWZOF-UHFFFAOYSA-N -1 0 328.821 2.676 20 30 EFEDRM C=C(CNC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1 ZINC001588444300 1092946341 /nfs/dbraw/zinc/94/63/41/1092946341.db2.gz WGAWZJLGKPEBOS-UHFFFAOYSA-N -1 0 339.786 2.963 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC ZINC001588456911 1092947617 /nfs/dbraw/zinc/94/76/17/1092947617.db2.gz ZUYKQMHGLGNTTG-BETUJISGSA-N -1 0 340.387 2.590 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1cccc(-c2nn[nH]n2)c1Br ZINC001588482721 1092950849 /nfs/dbraw/zinc/95/08/49/1092950849.db2.gz XIADNTKMYDIFSB-UHFFFAOYSA-N -1 0 336.193 2.780 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nn[nH]n3)c(C)cc21 ZINC001588525280 1092951696 /nfs/dbraw/zinc/95/16/96/1092951696.db2.gz FNWVAAVFSLLJKJ-SNVBAGLBSA-N -1 0 325.376 2.592 20 30 EFEDRM C=CCC(C)(C)C(=O)NCCCNc1cccc(F)c1-c1nn[nH]n1 ZINC001588538085 1092955584 /nfs/dbraw/zinc/95/55/84/1092955584.db2.gz HWVUFPZEKTTXTD-UHFFFAOYSA-N -1 0 346.410 2.526 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001588539674 1092955839 /nfs/dbraw/zinc/95/58/39/1092955839.db2.gz UQFMNTNEIQFACU-UHFFFAOYSA-N -1 0 343.431 2.743 20 30 EFEDRM C=CCCCCCCCNC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001588593591 1092964114 /nfs/dbraw/zinc/96/41/14/1092964114.db2.gz DWWZHDHGBBKFEG-UHFFFAOYSA-N -1 0 329.404 2.829 20 30 EFEDRM C=CCCCN(CC)C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001588601236 1092967660 /nfs/dbraw/zinc/96/76/60/1092967660.db2.gz FWEJLUARICOMSA-INIZCTEOSA-N -1 0 340.431 2.852 20 30 EFEDRM C=CCCN(C)c1c(-c2nn[nH]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588603876 1092968069 /nfs/dbraw/zinc/96/80/69/1092968069.db2.gz ZISWZAVHVUFHOS-UHFFFAOYSA-N -1 0 334.305 2.845 20 30 EFEDRM C=CCCc1ccccc1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001588620898 1092970070 /nfs/dbraw/zinc/97/00/70/1092970070.db2.gz LZHJFFNCIPFHGY-UHFFFAOYSA-N -1 0 335.367 2.943 20 30 EFEDRM CC#CCCCC(=O)Nc1ccc(-c2nn[nH]n2)c(Br)c1 ZINC001588746063 1092982638 /nfs/dbraw/zinc/98/26/38/1092982638.db2.gz LZLUUCZWNKMHEC-UHFFFAOYSA-N -1 0 348.204 2.761 20 30 EFEDRM CC(=O)c1ccc(-c2nn[nH]n2)c(NCc2cc(C#N)ccc2F)c1 ZINC001588907063 1093006333 /nfs/dbraw/zinc/00/63/33/1093006333.db2.gz CLIMAFVEQCMIFJ-UHFFFAOYSA-N -1 0 336.330 2.692 20 30 EFEDRM CC(C)(C#N)CCCn1cc(-c2nnn[n-]2)c2ccsc2c1=O ZINC001589034233 1093019708 /nfs/dbraw/zinc/01/97/08/1093019708.db2.gz UOKRJYXPEVCZSA-UHFFFAOYSA-N -1 0 328.401 2.573 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccn2C2CC2)o1 ZINC001589238260 1093056597 /nfs/dbraw/zinc/05/65/97/1093056597.db2.gz QIUXWXHVIWKKFL-UHFFFAOYSA-N -1 0 340.391 2.735 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588548036 1093119017 /nfs/dbraw/zinc/11/90/17/1093119017.db2.gz IKFXQIRETSJBTH-SREVYHEPSA-N -1 0 336.804 2.841 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)cc2F)o1 ZINC001589664410 1093123653 /nfs/dbraw/zinc/12/36/53/1093123653.db2.gz ALHFGDBBDVWPLL-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM CC(C)Oc1cc(CNc2c(C#N)cccc2-c2nn[nH]n2)ccn1 ZINC001589750503 1093131931 /nfs/dbraw/zinc/13/19/31/1093131931.db2.gz FVQAIVKGRMZSKY-UHFFFAOYSA-N -1 0 335.371 2.533 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc3oncc3c2)o1 ZINC001589774170 1093142832 /nfs/dbraw/zinc/14/28/32/1093142832.db2.gz UGGBOBCSJMZVOQ-UHFFFAOYSA-N -1 0 338.331 2.565 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc3ccccc3[nH]2)o1 ZINC001589773648 1093143140 /nfs/dbraw/zinc/14/31/40/1093143140.db2.gz HREVXVHNZQASHY-UHFFFAOYSA-N -1 0 336.359 2.905 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2CC2(Cl)Cl)o1 ZINC001589773889 1093143262 /nfs/dbraw/zinc/14/32/62/1093143262.db2.gz PZSQHEUNXDCZPR-ZCFIWIBFSA-N -1 0 330.179 2.570 20 30 EFEDRM CCOC(=O)Nc1ccc(F)c(C([O-])=C(C#N)c2nccn2C)c1 ZINC001650440309 1093244210 /nfs/dbraw/zinc/24/42/10/1093244210.db2.gz DEVLZZYNRXOSTC-LBPRGKRZSA-N -1 0 330.319 2.618 20 30 EFEDRM CC[C@H](C)N(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001650518647 1093357945 /nfs/dbraw/zinc/35/79/45/1093357945.db2.gz BXLDXJNLWXWWCP-LBPRGKRZSA-N -1 0 340.431 2.952 20 30 EFEDRM CCC(C)(C)c1ccc(Cn2c(C)nc(-c3nnn[n-]3)c2C#N)cc1 ZINC001590379016 1093397521 /nfs/dbraw/zinc/39/75/21/1093397521.db2.gz MVKZLZRODFEFBO-UHFFFAOYSA-N -1 0 335.415 2.979 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cn1 ZINC000588579599 1093442868 /nfs/dbraw/zinc/44/28/68/1093442868.db2.gz SBZOHZXGIKWXCR-UTCJRWHESA-N -1 0 330.359 2.905 20 30 EFEDRM CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)(C)c1ccccc1 ZINC001590472445 1093443850 /nfs/dbraw/zinc/44/38/50/1093443850.db2.gz DFBAWDXKWGEMKL-AWEZNQCLSA-N -1 0 348.414 2.697 20 30 EFEDRM CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)C(C)(C)c1ccccc1 ZINC001590472447 1093444345 /nfs/dbraw/zinc/44/43/45/1093444345.db2.gz DFBAWDXKWGEMKL-CQSZACIVSA-N -1 0 348.414 2.697 20 30 EFEDRM CCCCCC[C@](C)(CC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC001590590026 1093503625 /nfs/dbraw/zinc/50/36/25/1093503625.db2.gz MBIGMIDRKFBIRP-INIZCTEOSA-N -1 0 344.423 2.787 20 30 EFEDRM CCOc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC001590836991 1093589819 /nfs/dbraw/zinc/58/98/19/1093589819.db2.gz JBWNHNCJVUATJH-UHFFFAOYSA-N -1 0 341.375 2.823 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)c1c(C)cc(-c2nn[nH]n2)cc1C ZINC001591509199 1093746245 /nfs/dbraw/zinc/74/62/45/1093746245.db2.gz RVAQSRYMKPBPCF-UHFFFAOYSA-N -1 0 349.350 2.583 20 30 EFEDRM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c(F)c1 ZINC001591582274 1093780905 /nfs/dbraw/zinc/78/09/05/1093780905.db2.gz FCPPFEZOLYKXRZ-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(-c2nn[nH]n2)c(F)c1 ZINC001592112931 1093984201 /nfs/dbraw/zinc/98/42/01/1093984201.db2.gz AVLKTMDQHOXNKY-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001592113640 1093984388 /nfs/dbraw/zinc/98/43/88/1093984388.db2.gz VFIBTAIFXIUKMV-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cc1ccc([C@H](C)C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)cc1 ZINC001592135933 1093993102 /nfs/dbraw/zinc/99/31/02/1093993102.db2.gz ZBVZOWWMHIALJK-CYBMUJFWSA-N -1 0 336.399 2.591 20 30 EFEDRM Cc1ccc(Cl)c(Sc2cnc(C#N)c(-c3nnn[n-]3)n2)c1 ZINC001592171021 1094013802 /nfs/dbraw/zinc/01/38/02/1094013802.db2.gz YPUQYNAIPPIGND-UHFFFAOYSA-N -1 0 329.776 2.641 20 30 EFEDRM Cc1ccncc1CCCN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001592278736 1094064891 /nfs/dbraw/zinc/06/48/91/1094064891.db2.gz FGDYJFGVPYAJPZ-UHFFFAOYSA-N -1 0 340.391 2.712 20 30 EFEDRM Fc1ccc(CC=CN=NCc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC001592648288 1094161423 /nfs/dbraw/zinc/16/14/23/1094161423.db2.gz GJAJTYZQGSPYFF-QUOARBMVSA-N -1 0 340.337 2.934 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(-c2ccccc2)cc1 ZINC001592684348 1094176299 /nfs/dbraw/zinc/17/62/99/1094176299.db2.gz MLOZDWCGTZSXAY-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM N#Cc1nc(SCCCCc2ccccc2)cnc1-c1nnn[n-]1 ZINC001592707394 1094183445 /nfs/dbraw/zinc/18/34/45/1094183445.db2.gz BAWUKEFGKSVIJL-UHFFFAOYSA-N -1 0 337.412 2.643 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1ccc(F)cc1[O-] ZINC001592793814 1094187800 /nfs/dbraw/zinc/18/78/00/1094187800.db2.gz HHFSKXOZISFVOS-QPJJXVBHSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1cc(NN=Cc2ccc(-c3nn[nH]n3)cc2)ccc1Cl ZINC001593278860 1094261897 /nfs/dbraw/zinc/26/18/97/1094261897.db2.gz DQHBBHOQIIPQHK-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM O=C([O-])c1ccccc1N=NCCCc1ccc(-c2nn[nH]n2)cc1 ZINC001593283440 1094266101 /nfs/dbraw/zinc/26/61/01/1094266101.db2.gz RUIADJGOBKBWFE-UHFFFAOYSA-N -1 0 336.355 2.595 20 30 EFEDRM CC(C)n1ncc(C#N)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213182612 1094575933 /nfs/dbraw/zinc/57/59/33/1094575933.db2.gz FNABFIGIZOQEHP-UHFFFAOYSA-N -1 0 341.371 2.883 20 30 EFEDRM CCn1ccnc1C(=O)/C=C\c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001597911339 1094640298 /nfs/dbraw/zinc/64/02/98/1094640298.db2.gz SIPQFOCSNSDBNA-WAYWQWQTSA-N -1 0 328.368 2.879 20 30 EFEDRM Cc1c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cnn1CCC#N ZINC001599985213 1094701916 /nfs/dbraw/zinc/70/19/16/1094701916.db2.gz NRWLGNNLSLHCBF-UHFFFAOYSA-N -1 0 347.400 2.636 20 30 EFEDRM Cc1c(C(=O)[O-])ccc(Cl)c1NCC(=O)N[C@](C)(C#N)C(C)C ZINC001599996199 1094709030 /nfs/dbraw/zinc/70/90/30/1094709030.db2.gz CIKIJLQGBDKVHC-MRXNPFEDSA-N -1 0 337.807 2.813 20 30 EFEDRM Cc1c(C(=O)[O-])ccc(Cl)c1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC001599996588 1094709711 /nfs/dbraw/zinc/70/97/11/1094709711.db2.gz GVCWPYBCECDELA-MRXNPFEDSA-N -1 0 335.791 2.567 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)sc2nccn12 ZINC001600005980 1094714720 /nfs/dbraw/zinc/71/47/20/1094714720.db2.gz ZMTXRGZLBTYCKV-GFCCVEGCSA-N -1 0 341.348 2.559 20 30 EFEDRM Cc1c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cnn1CCC#N ZINC001600007479 1094716366 /nfs/dbraw/zinc/71/63/66/1094716366.db2.gz QCFFIPOYQUDQJN-UHFFFAOYSA-N -1 0 345.380 2.501 20 30 EFEDRM Cc1c(/C=C2\CSc3ccc(F)cc3C2=O)c(C(=O)[O-])nn1C ZINC001600009739 1094718013 /nfs/dbraw/zinc/71/80/13/1094718013.db2.gz QJCSKRRGRCMSAA-WEVVVXLNSA-N -1 0 332.356 2.938 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])nn1C ZINC001600009762 1094718512 /nfs/dbraw/zinc/71/85/12/1094718512.db2.gz RACJYTOXGMBGMN-SREVYHEPSA-N -1 0 326.352 2.648 20 30 EFEDRM Cc1c(NC(=O)CNc2ccc(C#N)cc2)ccc(F)c1C(=O)[O-] ZINC001600033327 1094730052 /nfs/dbraw/zinc/73/00/52/1094730052.db2.gz GJQDTWPLRKEPDT-UHFFFAOYSA-N -1 0 327.315 2.755 20 30 EFEDRM Cc1c(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035909 1094732453 /nfs/dbraw/zinc/73/24/53/1094732453.db2.gz ZTQIPWBSMFLNIB-MFKMUULPSA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)N2CCC[C@](C)(C#N)C2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600037350 1094732972 /nfs/dbraw/zinc/73/29/72/1094732972.db2.gz BVZQVXMDQLOXEQ-MRXNPFEDSA-N -1 0 346.343 2.759 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)nn1CCC#N ZINC001600043823 1094737855 /nfs/dbraw/zinc/73/78/55/1094737855.db2.gz BIVHUFODOMFMLN-UHFFFAOYSA-N -1 0 345.334 2.895 20 30 EFEDRM Cc1c(NC(=O)Nc2ccn(CCC#N)n2)ccc(F)c1C(=O)[O-] ZINC001600045246 1094738593 /nfs/dbraw/zinc/73/85/93/1094738593.db2.gz GEZJSFGGZPYFRH-UHFFFAOYSA-N -1 0 331.307 2.587 20 30 EFEDRM Cc1cc(-c2noc([C@@H](C)N(CC#N)CCC(=O)[O-])n2)ccc1F ZINC001600062551 1094746628 /nfs/dbraw/zinc/74/66/28/1094746628.db2.gz OYVNENCZKGGELC-LLVKDONJSA-N -1 0 332.335 2.545 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001600074001 1094753127 /nfs/dbraw/zinc/75/31/27/1094753127.db2.gz HAWJPUSMFMAXHS-UHFFFAOYSA-N -1 0 329.377 2.847 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001600074281 1094753443 /nfs/dbraw/zinc/75/34/43/1094753443.db2.gz VYFKHLQCCZQSNZ-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001600074238 1094753574 /nfs/dbraw/zinc/75/35/74/1094753574.db2.gz UGJXKSNQIZPNBF-MRXNPFEDSA-N -1 0 341.363 2.692 20 30 EFEDRM Cc1cc(Br)cn(Cc2cccc(C(=O)[O-])c2C#N)c1=O ZINC001600073209 1094753666 /nfs/dbraw/zinc/75/36/66/1094753666.db2.gz CNBOSVIOECHBLA-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600073942 1094753875 /nfs/dbraw/zinc/75/38/75/1094753875.db2.gz DHIDLMOKLIONCH-LBPRGKRZSA-N -1 0 341.392 2.651 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001600074846 1094753899 /nfs/dbraw/zinc/75/38/99/1094753899.db2.gz SZWVCHIRAFTYKM-QGZVFWFLSA-N -1 0 336.391 2.991 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001600074752 1094754079 /nfs/dbraw/zinc/75/40/79/1094754079.db2.gz RKLIWNZQYQKFBP-UHFFFAOYSA-N -1 0 348.362 2.680 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N(c1cc(C#N)cc(C)n1)C1CC1 ZINC001600074320 1094754090 /nfs/dbraw/zinc/75/40/90/1094754090.db2.gz XYCXVIYWEYRTSI-UHFFFAOYSA-N -1 0 339.351 2.599 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600074599 1094754271 /nfs/dbraw/zinc/75/42/71/1094754271.db2.gz LJADOKFQDXIZLS-MUIFIZLQSA-N -1 0 327.380 2.760 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001600075955 1094754863 /nfs/dbraw/zinc/75/48/63/1094754863.db2.gz GFAXEUALUJTJOD-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001600076138 1094755062 /nfs/dbraw/zinc/75/50/62/1094755062.db2.gz KUFDLFIIMFOIRD-CQSZACIVSA-N -1 0 347.733 2.610 20 30 EFEDRM Cc1cc(C#N)nc(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC001600075962 1094755399 /nfs/dbraw/zinc/75/53/99/1094755399.db2.gz VTHBWCSVUFKCHN-UHFFFAOYSA-N -1 0 334.129 2.910 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@H](CCCc1ccccc1)C(=O)[O-] ZINC001600076038 1094755543 /nfs/dbraw/zinc/75/55/43/1094755543.db2.gz IWUFYZMXWKJUMO-MRXNPFEDSA-N -1 0 338.363 2.895 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001600075309 1094755664 /nfs/dbraw/zinc/75/56/64/1094755664.db2.gz RSXJYAJNGHDOBG-MRXNPFEDSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC001600078954 1094756903 /nfs/dbraw/zinc/75/69/03/1094756903.db2.gz CUNRNERDHRRFQY-UHFFFAOYSA-N -1 0 337.379 2.513 20 30 EFEDRM Cc1cc(C(=O)N2CCC(C)(C#N)CC2)cc(C)c1OCC(=O)[O-] ZINC001600080071 1094758460 /nfs/dbraw/zinc/75/84/60/1094758460.db2.gz MPWKGEJRLZPGSZ-UHFFFAOYSA-N -1 0 330.384 2.533 20 30 EFEDRM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc(C)c1C#N ZINC001600084824 1094760686 /nfs/dbraw/zinc/76/06/86/1094760686.db2.gz LYFKDQJAWUYZGQ-GOSISDBHSA-N -1 0 334.375 2.827 20 30 EFEDRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)ncc1C#N ZINC001600086694 1094762002 /nfs/dbraw/zinc/76/20/02/1094762002.db2.gz LSVRXUFWVPIHES-SFHVURJKSA-N -1 0 341.342 2.521 20 30 EFEDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCc2ccc(C#N)cc2)n1 ZINC001600105710 1094774107 /nfs/dbraw/zinc/77/41/07/1094774107.db2.gz IOZAGIBSDCSNOK-UHFFFAOYSA-N -1 0 326.312 2.523 20 30 EFEDRM Cc1cc(C(=O)[O-])nc(NCCSCc2ccccc2C#N)n1 ZINC001600127668 1094787986 /nfs/dbraw/zinc/78/79/86/1094787986.db2.gz BLQMGGBBLNYSPH-UHFFFAOYSA-N -1 0 328.397 2.700 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccnn1-c1ccc(C#N)cc1 ZINC001600132385 1094791897 /nfs/dbraw/zinc/79/18/97/1094791897.db2.gz RKLKBKQHSCVVRB-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])ccc1F ZINC001600146252 1094805226 /nfs/dbraw/zinc/80/52/26/1094805226.db2.gz BZNCUNXOOHFOII-OAHLLOKOSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1cc(C)c(C#N)c(N2CCC(c3cc(C(=O)[O-])on3)CC2)n1 ZINC001600147317 1094807647 /nfs/dbraw/zinc/80/76/47/1094807647.db2.gz PLKBSPASNVHSTF-UHFFFAOYSA-N -1 0 326.356 2.640 20 30 EFEDRM Cc1cc(C)c(C#N)c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)n1 ZINC001600147161 1094807719 /nfs/dbraw/zinc/80/77/19/1094807719.db2.gz NELJWASKAZOBPI-UHFFFAOYSA-N -1 0 325.343 2.970 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2cc(C#N)ccc2C)C(=O)[O-])ccc1F ZINC001600150718 1094811581 /nfs/dbraw/zinc/81/15/81/1094811581.db2.gz PKFRFROHAMYIAO-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)c(NC(=O)[C@H](C)N(CC#N)CCC(=O)[O-])c(Cl)c1 ZINC001600162804 1094827376 /nfs/dbraw/zinc/82/73/76/1094827376.db2.gz UCXMSJQPVPPZCT-LBPRGKRZSA-N -1 0 337.807 2.584 20 30 EFEDRM Cc1cc(C)cc([C@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001600167597 1094830412 /nfs/dbraw/zinc/83/04/12/1094830412.db2.gz IGXMCLUUOHMRNP-KRWDZBQOSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(C)c2ncc(C#N)c(N3CCSC[C@@H](C(=O)[O-])C3)c2c1 ZINC001600165541 1094830758 /nfs/dbraw/zinc/83/07/58/1094830758.db2.gz DAISEFGGBZOTLR-AWEZNQCLSA-N -1 0 341.436 2.977 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)CNc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001600171744 1094839018 /nfs/dbraw/zinc/83/90/18/1094839018.db2.gz JPUAHORUFXQRCF-GOSISDBHSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)CNc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001600171745 1094839065 /nfs/dbraw/zinc/83/90/65/1094839065.db2.gz JPUAHORUFXQRCF-SFHVURJKSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1cc(C=NNc2cc(C(=O)[O-])ccc2Br)ncn1 ZINC001600185730 1094852687 /nfs/dbraw/zinc/85/26/87/1094852687.db2.gz URSSEMHWFNZREQ-UHFFFAOYSA-N -1 0 335.161 2.692 20 30 EFEDRM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1oncc1C(=O)[O-] ZINC001600217923 1094894765 /nfs/dbraw/zinc/89/47/65/1094894765.db2.gz IQUWPCHUNLKCMH-UHFFFAOYSA-N -1 0 343.726 2.570 20 30 EFEDRM Cc1cc2c(c(F)c1)NC(=O)C2=NNc1cccc(F)c1C(=O)[O-] ZINC001600229957 1094904173 /nfs/dbraw/zinc/90/41/73/1094904173.db2.gz LPPVHFAWYHCHKC-UHFFFAOYSA-N -1 0 331.278 2.740 20 30 EFEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCSC[C@H](C(=O)[O-])C1 ZINC001600230856 1094905552 /nfs/dbraw/zinc/90/55/52/1094905552.db2.gz GNJYYMJYRKSRCM-GFCCVEGCSA-N -1 0 345.399 2.808 20 30 EFEDRM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(C#N)cc1N(C)C ZINC001600266398 1094927130 /nfs/dbraw/zinc/92/71/30/1094927130.db2.gz JYTBACUFKUNKDD-UHFFFAOYSA-N -1 0 344.415 2.698 20 30 EFEDRM Cc1cc(NC(=O)NC2(CC(=O)[O-])CCCC2)c(C#N)cc1N(C)C ZINC001600266846 1094928953 /nfs/dbraw/zinc/92/89/53/1094928953.db2.gz UKEMMAWYSDUVIM-UHFFFAOYSA-N -1 0 344.415 2.842 20 30 EFEDRM Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)sc1C(=O)[O-] ZINC001600273286 1094933833 /nfs/dbraw/zinc/93/38/33/1094933833.db2.gz FYDMDHDVMSIQKR-UHFFFAOYSA-N -1 0 329.381 2.945 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001600328438 1094975227 /nfs/dbraw/zinc/97/52/27/1094975227.db2.gz HCWKCSPVLABOBW-UHFFFAOYSA-N -1 0 334.335 2.553 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001600328936 1094975375 /nfs/dbraw/zinc/97/53/75/1094975375.db2.gz YWFDXARDVMZJSE-VIFPVBQESA-N -1 0 330.369 2.904 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001600328451 1094975822 /nfs/dbraw/zinc/97/58/22/1094975822.db2.gz HMJGMFGWXXBJDZ-GOSISDBHSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001600328536 1094976417 /nfs/dbraw/zinc/97/64/17/1094976417.db2.gz AFMPQANSMPUFKA-SNGWPZLWSA-N -1 0 329.396 2.884 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001600329752 1094977225 /nfs/dbraw/zinc/97/72/25/1094977225.db2.gz XWDWVOWXTWTMNC-MDZDMXLPSA-N -1 0 339.347 2.836 20 30 EFEDRM Cc1ccc(C(=O)N(C)C)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001600329894 1094977597 /nfs/dbraw/zinc/97/75/97/1094977597.db2.gz AUWFSVRJTDQHKG-UHFFFAOYSA-N -1 0 337.379 2.879 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1C#N ZINC001600336697 1094983081 /nfs/dbraw/zinc/98/30/81/1094983081.db2.gz CLQVBGYJNVXPIX-KBXCAEBGSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC001600347452 1094990409 /nfs/dbraw/zinc/99/04/09/1094990409.db2.gz NGYPILQIRDOELV-NSHDSACASA-N -1 0 340.335 2.677 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001600365614 1095005096 /nfs/dbraw/zinc/00/50/96/1095005096.db2.gz QMRYNIZMNYIXOC-UHFFFAOYSA-N -1 0 327.340 2.639 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)[C@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001600375390 1095015144 /nfs/dbraw/zinc/01/51/44/1095015144.db2.gz GNNUKTWFKAGUKQ-MSOLQXFVSA-N -1 0 336.391 2.977 20 30 EFEDRM Cc1ccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C#N ZINC001600417073 1095048405 /nfs/dbraw/zinc/04/84/05/1095048405.db2.gz RGRJAUGMCFZOJY-SFHVURJKSA-N -1 0 349.390 2.760 20 30 EFEDRM Cc1ccc(COCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001600421514 1095052341 /nfs/dbraw/zinc/05/23/41/1095052341.db2.gz YYXFHXSWTBBBGJ-GOSISDBHSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1ccc(CS(=O)(=O)C[C@H]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC001600421659 1095053126 /nfs/dbraw/zinc/05/31/26/1095053126.db2.gz FUHJAURLAHPJQI-GDBMZVCRSA-N -1 0 335.425 2.673 20 30 EFEDRM Cc1ccc(F)c2oc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc21 ZINC001600430155 1095059368 /nfs/dbraw/zinc/05/93/68/1095059368.db2.gz AHMIDMCNIKDUCS-UHFFFAOYSA-N -1 0 330.315 2.711 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1 ZINC001600458725 1095083380 /nfs/dbraw/zinc/08/33/80/1095083380.db2.gz YGNRYUDEKGQKKM-LBPRGKRZSA-N -1 0 330.413 2.763 20 30 EFEDRM Cc1ccc(OCC(=O)N(C)C2(C#N)CCCCC2)cc1C(=O)[O-] ZINC001600469186 1095091581 /nfs/dbraw/zinc/09/15/81/1095091581.db2.gz GATRHDZWSUJSAI-UHFFFAOYSA-N -1 0 330.384 2.757 20 30 EFEDRM Cc1ccc(OS(=O)(=O)Cc2ccc(C#N)cc2F)c(C(=O)[O-])c1 ZINC001600472230 1095095044 /nfs/dbraw/zinc/09/50/44/1095095044.db2.gz LHQPXXSUKDMTGH-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)c1 ZINC001600516240 1095128372 /nfs/dbraw/zinc/12/83/72/1095128372.db2.gz MFFGTZSFVCNSHB-MRXNPFEDSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C)c2C)cnn1CCC#N ZINC001600518799 1095130121 /nfs/dbraw/zinc/13/01/21/1095130121.db2.gz BDMKNMAEOLZSCK-MRXNPFEDSA-N -1 0 341.367 2.705 20 30 EFEDRM Cc1cccc([C@@H](OC(=O)COc2cccc(C#N)c2)C(=O)[O-])c1C ZINC001600521295 1095131572 /nfs/dbraw/zinc/13/15/72/1095131572.db2.gz WVGYMQAXFJLBGN-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2cccc(F)c2C#N)C(=O)[O-])c1 ZINC001600528242 1095139031 /nfs/dbraw/zinc/13/90/31/1095139031.db2.gz WZCSAHGISBQQJK-AWEZNQCLSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1cccc(N2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001600539167 1095147398 /nfs/dbraw/zinc/14/73/98/1095147398.db2.gz KQUUFNMMNSNGSE-UHFFFAOYSA-N -1 0 335.407 2.887 20 30 EFEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001600540893 1095149510 /nfs/dbraw/zinc/14/95/10/1095149510.db2.gz PTBLCEXADNCRTH-INIZCTEOSA-N -1 0 336.347 2.583 20 30 EFEDRM Cc1cccc(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1C ZINC001600546228 1095152991 /nfs/dbraw/zinc/15/29/91/1095152991.db2.gz AOPAQBLEQHPHQP-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)/C=C/c1ccccc1C#N ZINC001600554819 1095160280 /nfs/dbraw/zinc/16/02/80/1095160280.db2.gz IOYRUMVWZZIACG-QZEKMECESA-N -1 0 332.359 2.922 20 30 EFEDRM Cc1cccc2c1O[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C2 ZINC001600558750 1095163278 /nfs/dbraw/zinc/16/32/78/1095163278.db2.gz GZDCVKIMNBCYJH-INIZCTEOSA-N -1 0 337.331 2.612 20 30 EFEDRM Cc1cccc2c1O[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C2 ZINC001600558751 1095163294 /nfs/dbraw/zinc/16/32/94/1095163294.db2.gz GZDCVKIMNBCYJH-MRXNPFEDSA-N -1 0 337.331 2.612 20 30 EFEDRM Cc1ccccc1CNC(=O)[C@H](C)ON=Cc1ccc(C(=O)[O-])cc1 ZINC001600581459 1095184263 /nfs/dbraw/zinc/18/42/63/1095184263.db2.gz XNYGBNKIQWBWRP-AWEZNQCLSA-N -1 0 340.379 2.749 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(F)cc1OCC#N ZINC001600642665 1095231671 /nfs/dbraw/zinc/23/16/71/1095231671.db2.gz MNFBYXLTAMDZPU-UHFFFAOYSA-N -1 0 332.287 2.509 20 30 EFEDRM Cc1csc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1C#N ZINC001600664003 1095244965 /nfs/dbraw/zinc/24/49/65/1095244965.db2.gz SAXHTYJWKBCRLB-ZETCQYMHSA-N -1 0 336.398 2.966 20 30 EFEDRM Cc1nc(C#N)c(C#N)n1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001600682171 1095256233 /nfs/dbraw/zinc/25/62/33/1095256233.db2.gz NTJVAXLLJPSGRX-UHFFFAOYSA-N -1 0 349.375 2.805 20 30 EFEDRM Cc1nc(C#N)cc(NCc2ccc(C(=O)[O-])cc2Br)n1 ZINC001600683281 1095256326 /nfs/dbraw/zinc/25/63/26/1095256326.db2.gz MMVJKNRPVWCISY-UHFFFAOYSA-N -1 0 347.172 2.730 20 30 EFEDRM Cc1nc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)ccc1C#N ZINC001600684612 1095257857 /nfs/dbraw/zinc/25/78/57/1095257857.db2.gz NHEJMTFDIPRRLD-UHFFFAOYSA-N -1 0 330.369 2.792 20 30 EFEDRM Cc1nc(C)c(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001600691112 1095263214 /nfs/dbraw/zinc/26/32/14/1095263214.db2.gz CFZYSWAQWDIBPX-UHFFFAOYSA-N -1 0 330.365 2.616 20 30 EFEDRM Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600697827 1095268692 /nfs/dbraw/zinc/26/86/92/1095268692.db2.gz CZGWXMWRIFEOTA-MRXNPFEDSA-N -1 0 340.335 2.790 20 30 EFEDRM Cc1nc(Cl)ccc1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600707597 1095276348 /nfs/dbraw/zinc/27/63/48/1095276348.db2.gz XBWHTXRCBMIXEU-MRXNPFEDSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)sc1C(=O)[O-] ZINC001600713921 1095282507 /nfs/dbraw/zinc/28/25/07/1095282507.db2.gz HMAAQAXLCMIWLP-NWDGAFQWSA-N -1 0 327.365 2.764 20 30 EFEDRM Cc1nc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc1SCC#N ZINC001600715395 1095283668 /nfs/dbraw/zinc/28/36/68/1095283668.db2.gz RSFUNVVPJCUULH-VHSXEESVSA-N -1 0 339.442 2.897 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2n1C ZINC001600728007 1095293079 /nfs/dbraw/zinc/29/30/79/1095293079.db2.gz VCBOQEKMRXLKOK-KRWDZBQOSA-N -1 0 349.346 2.736 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CCCC[C@@H]2CC(=O)[O-])c1C#N ZINC001600762008 1095315197 /nfs/dbraw/zinc/31/51/97/1095315197.db2.gz NAAIJXMFGNVOHK-MRXNPFEDSA-N -1 0 338.411 2.882 20 30 EFEDRM Cc1nn(C)c(Cl)c1CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600772583 1095322962 /nfs/dbraw/zinc/32/29/62/1095322962.db2.gz YDCMAOXHRVZAQP-CQSZACIVSA-N -1 0 332.791 2.511 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1Nc1nc2ncccc2cc1C#N ZINC001600788585 1095334837 /nfs/dbraw/zinc/33/48/37/1095334837.db2.gz XAJJEPCCAOSWLP-UHFFFAOYSA-N -1 0 336.355 2.533 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796707010 1095337877 /nfs/dbraw/zinc/33/78/77/1095337877.db2.gz PTXOCPUANJHSFA-ZBFHGGJFSA-N -1 0 336.457 2.956 20 30 EFEDRM Cc1nnc(CN(Cc2cccc(C(=O)[O-])c2C#N)C(C)(C)C)o1 ZINC001600794550 1095337939 /nfs/dbraw/zinc/33/79/39/1095337939.db2.gz XONNDIILGZZFJP-UHFFFAOYSA-N -1 0 328.372 2.749 20 30 EFEDRM Cc1nsc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)c1C#N ZINC001600820268 1095352933 /nfs/dbraw/zinc/35/29/33/1095352933.db2.gz VFDAVTDLEZCFNO-UHFFFAOYSA-N -1 0 336.417 2.870 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001600821975 1095354573 /nfs/dbraw/zinc/35/45/73/1095354573.db2.gz NIBGYRAAKAZKNH-UHFFFAOYSA-N -1 0 328.324 2.956 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001600822853 1095356666 /nfs/dbraw/zinc/35/66/66/1095356666.db2.gz RRKMVIYBZIVCLT-UHFFFAOYSA-N -1 0 340.291 2.899 20 30 EFEDRM Cc1oc(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001600845657 1095376780 /nfs/dbraw/zinc/37/67/80/1095376780.db2.gz FTTMGLPJIBCITP-QGZVFWFLSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1oc(CN2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)[O-] ZINC001600846365 1095376942 /nfs/dbraw/zinc/37/69/42/1095376942.db2.gz YVFWZNIHGVSIEN-UHFFFAOYSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)COc1cccc(C#N)c1 ZINC001600873595 1095397997 /nfs/dbraw/zinc/39/79/97/1095397997.db2.gz BZCOZGVKTDXWDY-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)NCC2(CC#N)CC2)nc1C(=O)[O-] ZINC001600878999 1095403861 /nfs/dbraw/zinc/40/38/61/1095403861.db2.gz DUPDBKMDJYAKCO-LLVKDONJSA-N -1 0 348.428 2.690 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)c2coc(C#N)c2)nc1C(=O)[O-] ZINC001600882370 1095405365 /nfs/dbraw/zinc/40/53/65/1095405365.db2.gz KUAADAGDNLEMBP-LLVKDONJSA-N -1 0 331.353 2.592 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC001600904747 1095417226 /nfs/dbraw/zinc/41/72/26/1095417226.db2.gz PRIPNJHCBBAYKZ-CQSZACIVSA-N -1 0 325.368 2.888 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)OCc1ccccc1C(C)(C)C#N ZINC001600906870 1095418357 /nfs/dbraw/zinc/41/83/57/1095418357.db2.gz DAGOUNDZDIRWPA-UHFFFAOYSA-N -1 0 326.352 2.881 20 30 EFEDRM Cn1c(C=NN2C(=O)c3cccc4cccc(c43)C2=O)ccc1C(=O)[O-] ZINC001600911415 1095422733 /nfs/dbraw/zinc/42/27/33/1095422733.db2.gz GVLIMVUENZRVMZ-UHFFFAOYSA-N -1 0 347.330 2.507 20 30 EFEDRM Cn1c(Cl)cnc1[C@H](C#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC001600917836 1095428479 /nfs/dbraw/zinc/42/84/79/1095428479.db2.gz KGFINCUXKXGWFS-GFCCVEGCSA-N -1 0 331.759 2.581 20 30 EFEDRM Cn1c(CNc2ccc(C(=O)[O-])nc2C#N)nc2cc(Cl)ccc21 ZINC001600919221 1095428556 /nfs/dbraw/zinc/42/85/56/1095428556.db2.gz XQWIMZISKNMJMQ-UHFFFAOYSA-N -1 0 341.758 2.804 20 30 EFEDRM Cn1c2ccccc2c2cc(C(=O)N(CC#N)CCC(=O)[O-])sc21 ZINC001600922914 1095431962 /nfs/dbraw/zinc/43/19/62/1095431962.db2.gz SMQHGEKZSSGBIT-UHFFFAOYSA-N -1 0 341.392 2.833 20 30 EFEDRM Cn1cc([C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2)cn1 ZINC001600938728 1095437181 /nfs/dbraw/zinc/43/71/81/1095437181.db2.gz DFFWZHUJVYUISJ-RTBURBONSA-N -1 0 346.390 2.797 20 30 EFEDRM Cn1cc(CN=Nc2ncnc3sc4c(c32)CCC4)cc1C(=O)[O-] ZINC001600944527 1095440444 /nfs/dbraw/zinc/44/04/44/1095440444.db2.gz NKEPUQQFZHUZBW-UHFFFAOYSA-N -1 0 341.396 2.663 20 30 EFEDRM Cn1cc(CNc2cccc(CC(=O)[O-])n2)c(-c2ccc(C#N)cc2)n1 ZINC001600957238 1095446709 /nfs/dbraw/zinc/44/67/09/1095446709.db2.gz VHPCJKRSHBYWNE-UHFFFAOYSA-N -1 0 347.378 2.593 20 30 EFEDRM Cn1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC001600959182 1095446824 /nfs/dbraw/zinc/44/68/24/1095446824.db2.gz PIDIUAGQMDWQAK-UHFFFAOYSA-N -1 0 336.269 2.732 20 30 EFEDRM N#Cc1c(Cl)cccc1CN1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001139691612 1095448661 /nfs/dbraw/zinc/44/86/61/1095448661.db2.gz AXMKEVXWFNFABR-UHFFFAOYSA-N -1 0 345.752 2.855 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2n1 ZINC001601046853 1095477688 /nfs/dbraw/zinc/47/76/88/1095477688.db2.gz DVGDTNRVTXFFGP-GFCCVEGCSA-N -1 0 335.294 2.957 20 30 EFEDRM N#C[C@@H](C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC001601047328 1095478069 /nfs/dbraw/zinc/47/80/69/1095478069.db2.gz MUZNFSHGMPUUSA-VIFPVBQESA-N -1 0 344.277 2.948 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001601047120 1095478093 /nfs/dbraw/zinc/47/80/93/1095478093.db2.gz JLUKGRDOOIDLLE-SNVBAGLBSA-N -1 0 332.699 2.592 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001601047305 1095478303 /nfs/dbraw/zinc/47/83/03/1095478303.db2.gz MIFYHVGXDZWVSN-INIZCTEOSA-N -1 0 334.375 3.000 20 30 EFEDRM N#C[C@H](C(=O)c1cccc(OCC(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001601046843 1095478680 /nfs/dbraw/zinc/47/86/80/1095478680.db2.gz DQKOCTGXCRWEGX-CYBMUJFWSA-N -1 0 342.376 2.974 20 30 EFEDRM N#C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cccc(Cl)c1Cl ZINC001601049253 1095479555 /nfs/dbraw/zinc/47/95/55/1095479555.db2.gz WBIPYTCKQQBYBF-ISAOAKOHSA-N -1 0 339.178 2.929 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC001601049712 1095479646 /nfs/dbraw/zinc/47/96/46/1095479646.db2.gz USJGKBDHNLDJEN-UHFFFAOYSA-N -1 0 344.386 2.854 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001601049180 1095479668 /nfs/dbraw/zinc/47/96/68/1095479668.db2.gz VIBRZBMZGLYMDV-HNNXBMFYSA-N -1 0 338.363 2.861 20 30 EFEDRM N#CC1(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC2(CC2)C1 ZINC001601050335 1095479867 /nfs/dbraw/zinc/47/98/67/1095479867.db2.gz LINCQPAOTQOBRG-UHFFFAOYSA-N -1 0 338.363 2.874 20 30 EFEDRM N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001601048443 1095479926 /nfs/dbraw/zinc/47/99/26/1095479926.db2.gz LTJMSMBFEOCLJD-CQSZACIVSA-N -1 0 345.301 2.884 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001601049118 1095480026 /nfs/dbraw/zinc/48/00/26/1095480026.db2.gz UNTSPODOCWUXNS-SFHVURJKSA-N -1 0 336.391 2.702 20 30 EFEDRM N#C[C@@H](c1ccc(Cl)cc1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601049895 1095480098 /nfs/dbraw/zinc/48/00/98/1095480098.db2.gz SEKIGGBJZGWPFR-HNNXBMFYSA-N -1 0 345.790 2.531 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001601049537 1095480108 /nfs/dbraw/zinc/48/01/08/1095480108.db2.gz ZIJDECLJXSGTHX-ZDUSSCGKSA-N -1 0 348.362 2.972 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])no1)c1c(Cl)cccc1Cl ZINC001601048929 1095480125 /nfs/dbraw/zinc/48/01/25/1095480125.db2.gz RHTGXDKYTOSXTD-VIFPVBQESA-N -1 0 340.122 2.674 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001601052677 1095481272 /nfs/dbraw/zinc/48/12/72/1095481272.db2.gz VJIAMHLLEBQJJY-AWEZNQCLSA-N -1 0 347.802 2.727 20 30 EFEDRM N#CC1(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CCCC1 ZINC001601050668 1095481304 /nfs/dbraw/zinc/48/13/04/1095481304.db2.gz ZSQTXMJFTKEERC-UHFFFAOYSA-N -1 0 326.352 2.874 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001601051082 1095481385 /nfs/dbraw/zinc/48/13/85/1095481385.db2.gz BKQUZESACXINEC-UHFFFAOYSA-N -1 0 345.786 2.581 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC001601052647 1095481394 /nfs/dbraw/zinc/48/13/94/1095481394.db2.gz UYAQJDKMADFDJH-HNNXBMFYSA-N -1 0 345.374 2.603 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC001601052014 1095481461 /nfs/dbraw/zinc/48/14/61/1095481461.db2.gz JQSFKIYLWVGRGD-UHFFFAOYSA-N -1 0 340.339 2.564 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC001601052450 1095481511 /nfs/dbraw/zinc/48/15/11/1095481511.db2.gz QHFKYBKUSIKUKP-UHFFFAOYSA-N -1 0 344.802 2.716 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC001601051970 1095481775 /nfs/dbraw/zinc/48/17/75/1095481775.db2.gz WSDWRKSTYVLEAL-CYBMUJFWSA-N -1 0 345.424 2.623 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2sccc2Br)CC1 ZINC001601052419 1095481813 /nfs/dbraw/zinc/48/18/13/1095481813.db2.gz PVRRIWYOBWSGSS-UHFFFAOYSA-N -1 0 329.219 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2nc3ccccc3cc2Cl)CC1 ZINC001601053434 1095482687 /nfs/dbraw/zinc/48/26/87/1095482687.db2.gz WWUIJPWTOSOQRI-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC001601053349 1095482794 /nfs/dbraw/zinc/48/27/94/1095482794.db2.gz VJUGGKLIXVQYAC-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#CC1(CC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)CCCCC1 ZINC001601054441 1095482832 /nfs/dbraw/zinc/48/28/32/1095482832.db2.gz GXDDHJPERIYUNX-UHFFFAOYSA-N -1 0 342.395 2.970 20 30 EFEDRM N#CC1(CCCOC(=O)c2cccc(CC(=O)[O-])c2)CCOCC1 ZINC001601054520 1095482990 /nfs/dbraw/zinc/48/29/90/1095482990.db2.gz NMGIBGMJDDLLPY-UHFFFAOYSA-N -1 0 331.368 2.571 20 30 EFEDRM N#CC1(CCCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC001601054478 1095483067 /nfs/dbraw/zinc/48/30/67/1095483067.db2.gz MIFIGMJCVGIHFR-UHFFFAOYSA-N -1 0 334.328 2.772 20 30 EFEDRM N#CC1(CC(=O)OCc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001601054707 1095483086 /nfs/dbraw/zinc/48/30/86/1095483086.db2.gz RCWAWSXPPRYNCK-UHFFFAOYSA-N -1 0 338.157 2.884 20 30 EFEDRM N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC001601053754 1095483319 /nfs/dbraw/zinc/48/33/19/1095483319.db2.gz REUAGDCKVKHYLE-XHSDSOJGSA-N -1 0 348.443 2.721 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC001601055759 1095484676 /nfs/dbraw/zinc/48/46/76/1095484676.db2.gz ZVQSYFRINQUMSU-UHFFFAOYSA-N -1 0 332.356 2.871 20 30 EFEDRM N#C[C@@]1(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)CCc2ccccc2C1 ZINC001601058110 1095484928 /nfs/dbraw/zinc/48/49/28/1095484928.db2.gz IUXOTQUUXRSZNV-ZLQZBKBYSA-N -1 0 336.347 2.558 20 30 EFEDRM N#CC1(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])CCCCC1 ZINC001601058021 1095485093 /nfs/dbraw/zinc/48/50/93/1095485093.db2.gz HBHUYPIVTUWPEW-UHFFFAOYSA-N -1 0 342.804 2.543 20 30 EFEDRM N#CC1(COC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCCC1 ZINC001601056001 1095485107 /nfs/dbraw/zinc/48/51/07/1095485107.db2.gz LLDKTRSCZWCDEN-UHFFFAOYSA-N -1 0 326.352 2.967 20 30 EFEDRM N#C[C@@H]1CC[C@H](N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC001601059535 1095486170 /nfs/dbraw/zinc/48/61/70/1095486170.db2.gz GRPHZIGJHDOYNO-XOKHGSTOSA-N -1 0 347.846 2.776 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001601061487 1095486520 /nfs/dbraw/zinc/48/65/20/1095486520.db2.gz VEFCFMFKMLLAOA-IXDOHACOSA-N -1 0 326.396 2.643 20 30 EFEDRM N#CC[C@@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC001601060668 1095486526 /nfs/dbraw/zinc/48/65/26/1095486526.db2.gz LIUKNPKTVIIJJL-DOMZBBRYSA-N -1 0 340.301 2.549 20 30 EFEDRM N#CC[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001601061489 1095486618 /nfs/dbraw/zinc/48/66/18/1095486618.db2.gz VEFCFMFKMLLAOA-YESZJQIVSA-N -1 0 326.396 2.643 20 30 EFEDRM N#CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001601065327 1095487825 /nfs/dbraw/zinc/48/78/25/1095487825.db2.gz BQOJPONMAWOSMA-UHFFFAOYSA-N -1 0 342.355 2.514 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001601065608 1095488013 /nfs/dbraw/zinc/48/80/13/1095488013.db2.gz PDKPPVRAAYZIOM-WAYWQWQTSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c2ccccc21 ZINC001601066936 1095488359 /nfs/dbraw/zinc/48/83/59/1095488359.db2.gz MEUWQFZUVHGXSB-MRXNPFEDSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)CCc2ocnc2C(=O)[O-])c1 ZINC001601065028 1095488460 /nfs/dbraw/zinc/48/84/60/1095488460.db2.gz AKEWOZWTGSYUDK-UHFFFAOYSA-N -1 0 343.339 2.627 20 30 EFEDRM N#CCCCCSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001601065629 1095488532 /nfs/dbraw/zinc/48/85/32/1095488532.db2.gz KYYISAYNCFPOEQ-UHFFFAOYSA-N -1 0 331.397 2.657 20 30 EFEDRM N#CCCCCNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001601065698 1095488596 /nfs/dbraw/zinc/48/85/96/1095488596.db2.gz NPGYNWQBHROSIN-UHFFFAOYSA-N -1 0 332.381 2.510 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCn1ccc2cc(Cl)ccc21 ZINC001601071044 1095489596 /nfs/dbraw/zinc/48/95/96/1095489596.db2.gz PWZAUERCXKGRCX-UHFFFAOYSA-N -1 0 333.775 2.512 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601067767 1095489912 /nfs/dbraw/zinc/48/99/12/1095489912.db2.gz LOPPRLVZWAKWKT-UHFFFAOYSA-N -1 0 329.312 2.802 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001601072475 1095490086 /nfs/dbraw/zinc/49/00/86/1095490086.db2.gz USNKXZMAAVFVQI-UHFFFAOYSA-N -1 0 343.770 2.842 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(Br)cc1Cl ZINC001601072615 1095490093 /nfs/dbraw/zinc/49/00/93/1095490093.db2.gz KCEAJXVIAFZNGS-UHFFFAOYSA-N -1 0 331.597 2.903 20 30 EFEDRM N#CCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601074443 1095491125 /nfs/dbraw/zinc/49/11/25/1095491125.db2.gz YROUWXSGQXNWLR-MRXNPFEDSA-N -1 0 345.399 2.992 20 30 EFEDRM N#CCSCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001601075923 1095491142 /nfs/dbraw/zinc/49/11/42/1095491142.db2.gz NBRLDMIXDRZLBW-OAHLLOKOSA-N -1 0 328.393 2.729 20 30 EFEDRM N#CCOc1ccc(NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001601074293 1095491237 /nfs/dbraw/zinc/49/12/37/1095491237.db2.gz QWYZLYMYRWTRQV-UHFFFAOYSA-N -1 0 346.368 2.707 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001601074418 1095491279 /nfs/dbraw/zinc/49/12/79/1095491279.db2.gz XFQRSANTXRLKCF-UHFFFAOYSA-N -1 0 334.715 2.626 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001601075479 1095491480 /nfs/dbraw/zinc/49/14/80/1095491480.db2.gz GGPIOUZKNSEJFP-UHFFFAOYSA-N -1 0 341.319 2.523 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC001601075675 1095491568 /nfs/dbraw/zinc/49/15/68/1095491568.db2.gz NDOCQQSODDURKZ-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001601076796 1095492769 /nfs/dbraw/zinc/49/27/69/1095492769.db2.gz TVYSOGBXPIXXMG-UHFFFAOYSA-N -1 0 341.342 2.841 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001601076787 1095492896 /nfs/dbraw/zinc/49/28/96/1095492896.db2.gz STFDZNNRXJGZSO-UHFFFAOYSA-N -1 0 349.390 2.719 20 30 EFEDRM N#CCSCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001601076583 1095493215 /nfs/dbraw/zinc/49/32/15/1095493215.db2.gz WZVJEJKNKFZVLW-UHFFFAOYSA-N -1 0 325.415 2.694 20 30 EFEDRM N#CCc1cccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)c1 ZINC001601077413 1095493313 /nfs/dbraw/zinc/49/33/13/1095493313.db2.gz CVASDSPHTRARQD-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2 ZINC001601077428 1095493447 /nfs/dbraw/zinc/49/34/47/1095493447.db2.gz AYKMSBNUKJZJLF-UHFFFAOYSA-N -1 0 338.407 2.672 20 30 EFEDRM N#CCc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001601078727 1095494640 /nfs/dbraw/zinc/49/46/40/1095494640.db2.gz YAEAUPLVEMBFKI-GOSISDBHSA-N -1 0 334.331 2.536 20 30 EFEDRM N#Cc1c(Br)cccc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC001601079802 1095494903 /nfs/dbraw/zinc/49/49/03/1095494903.db2.gz NBIDTMBNSHGEGO-VIFPVBQESA-N -1 0 341.230 2.575 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3cccnc3c2N)cccc1C(=O)[O-] ZINC001601080370 1095495075 /nfs/dbraw/zinc/49/50/75/1095495075.db2.gz KSUKLAIYRAGIGT-UHFFFAOYSA-N -1 0 347.330 2.744 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001601079284 1095495081 /nfs/dbraw/zinc/49/50/81/1095495081.db2.gz IUWLGHYFCIULBP-APHBMKBZSA-N -1 0 341.411 2.796 20 30 EFEDRM N#Cc1c(CN2c3ccccc3CC[C@H]2CCO)cccc1C(=O)[O-] ZINC001601080937 1095496090 /nfs/dbraw/zinc/49/60/90/1095496090.db2.gz BVOBVOHDOUKPGI-INIZCTEOSA-N -1 0 336.391 2.960 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601081896 1095496108 /nfs/dbraw/zinc/49/61/08/1095496108.db2.gz AKJRFTPCUWLROX-IBGZPJMESA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1c(N)c(NC(=O)c2ccccc2CCC(=O)[O-])ccc1F ZINC001601082638 1095496135 /nfs/dbraw/zinc/49/61/35/1095496135.db2.gz OVBPODNDSUDTJD-UHFFFAOYSA-N -1 0 327.315 2.549 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001601081926 1095496233 /nfs/dbraw/zinc/49/62/33/1095496233.db2.gz QYYYEJRCRMLRPJ-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#Cc1c(CN2CC[C@]3(C2)OCc2ccccc23)cccc1C(=O)[O-] ZINC001601081907 1095496465 /nfs/dbraw/zinc/49/64/65/1095496465.db2.gz QMWXDCGUJCVQKO-HXUWFJFHSA-N -1 0 334.375 2.888 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601082613 1095496606 /nfs/dbraw/zinc/49/66/06/1095496606.db2.gz ODVBFOVTNYLMDV-HZPDHXFCSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1c(CN2CCO[C@@H](c3ccc(F)cc3)C2)cccc1C(=O)[O-] ZINC001601082109 1095496715 /nfs/dbraw/zinc/49/67/15/1095496715.db2.gz PJKGUSAVCRPLEI-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001601082346 1095496863 /nfs/dbraw/zinc/49/68/63/1095496863.db2.gz YODTZUFANCWAQW-UHFFFAOYSA-N -1 0 333.347 2.710 20 30 EFEDRM N#Cc1c(COC(=O)CCc2ccc(O)cc2)cccc1C(=O)[O-] ZINC001601083204 1095497577 /nfs/dbraw/zinc/49/75/77/1095497577.db2.gz ATGIUTROVLBIMG-UHFFFAOYSA-N -1 0 325.320 2.638 20 30 EFEDRM N#Cc1c2c(cn(Cc3c(Cl)cccc3C(=O)[O-])c1=O)CCC2 ZINC001601084210 1095497743 /nfs/dbraw/zinc/49/77/43/1095497743.db2.gz NKOWHLAFTCAFOX-UHFFFAOYSA-N -1 0 328.755 2.609 20 30 EFEDRM N#Cc1c(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)sc2c1CCCC2 ZINC001601082960 1095497921 /nfs/dbraw/zinc/49/79/21/1095497921.db2.gz JTUUXAPBUYUSDR-WDEREUQCSA-N -1 0 348.424 2.707 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)ccc12 ZINC001601084891 1095498142 /nfs/dbraw/zinc/49/81/42/1095498142.db2.gz HMWPUDXHFIXDDD-CQSZACIVSA-N -1 0 325.349 2.657 20 30 EFEDRM N#Cc1cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])ccc1Cl ZINC001601084326 1095498164 /nfs/dbraw/zinc/49/81/64/1095498164.db2.gz BQZGBKAQMUAOTN-UHFFFAOYSA-N -1 0 334.681 2.691 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCc3ccccc3O2)cccc1C(=O)[O-] ZINC001601083923 1095498224 /nfs/dbraw/zinc/49/82/24/1095498224.db2.gz YAGFFANDNDRQKJ-QGZVFWFLSA-N -1 0 337.331 2.693 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)co1 ZINC001601084351 1095498233 /nfs/dbraw/zinc/49/82/33/1095498233.db2.gz CHKWHLZUFRCVPD-UHFFFAOYSA-N -1 0 339.351 2.566 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)co1 ZINC001601085811 1095499067 /nfs/dbraw/zinc/49/90/67/1095499067.db2.gz NEMPZWUXHPATJY-LSDHHAIUSA-N -1 0 344.754 2.745 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cs1 ZINC001601086173 1095499096 /nfs/dbraw/zinc/49/90/96/1095499096.db2.gz ARFNCQMSWFWEJJ-UHFFFAOYSA-N -1 0 344.348 2.732 20 30 EFEDRM N#Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])ccn1 ZINC001601085588 1095499204 /nfs/dbraw/zinc/49/92/04/1095499204.db2.gz DPRMUCFFNXVKJE-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#Cc1cc(Cl)ccc1CN1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001601086762 1095499216 /nfs/dbraw/zinc/49/92/16/1095499216.db2.gz HTTCSIUFBWUJBL-KRWDZBQOSA-N -1 0 342.782 2.929 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)ccn1 ZINC001601086469 1095499267 /nfs/dbraw/zinc/49/92/67/1095499267.db2.gz RGQHNMSCLHRIPC-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)ccc1Cl ZINC001601086127 1095499305 /nfs/dbraw/zinc/49/93/05/1095499305.db2.gz YKZJIXHYUMWKAW-CXAGYDPISA-N -1 0 332.787 2.929 20 30 EFEDRM N#Cc1cc(Cl)ccc1CN1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001601086763 1095499377 /nfs/dbraw/zinc/49/93/77/1095499377.db2.gz HTTCSIUFBWUJBL-QGZVFWFLSA-N -1 0 342.782 2.929 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(F)c1 ZINC001601087042 1095499383 /nfs/dbraw/zinc/49/93/83/1095499383.db2.gz AQXJQBNWBGFEIN-UHFFFAOYSA-N -1 0 336.338 2.991 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NCc2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC001601087065 1095499391 /nfs/dbraw/zinc/49/93/91/1095499391.db2.gz BEFRUDQTAQBSSK-UHFFFAOYSA-N -1 0 334.253 2.604 20 30 EFEDRM N#Cc1cc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)ccn1 ZINC001601088418 1095500346 /nfs/dbraw/zinc/50/03/46/1095500346.db2.gz VUZCNEZMTKCSCF-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@]1(C(=O)[O-])CCOC1 ZINC001601088222 1095500467 /nfs/dbraw/zinc/50/04/67/1095500467.db2.gz QQQHIPUDMPWHTD-CYBMUJFWSA-N -1 0 332.253 2.619 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCCc2ccccc2C(=O)[O-])c(F)c1 ZINC001601087187 1095500919 /nfs/dbraw/zinc/50/09/19/1095500919.db2.gz CJGIUVPJBQOGHM-UHFFFAOYSA-N -1 0 331.274 2.934 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCOc2cccc3ccccc32)c1=O ZINC001601087514 1095501193 /nfs/dbraw/zinc/50/11/93/1095501193.db2.gz KOMGOMCNOUPOMQ-UHFFFAOYSA-N -1 0 334.331 2.650 20 30 EFEDRM N#Cc1cc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1F ZINC001601087297 1095501342 /nfs/dbraw/zinc/50/13/42/1095501342.db2.gz AJMCMWBCUHOSGA-MRXNPFEDSA-N -1 0 330.290 2.689 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601089396 1095501475 /nfs/dbraw/zinc/50/14/75/1095501475.db2.gz JBJNLDOUUMVYET-MRXNPFEDSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c(F)c1 ZINC001601088502 1095501527 /nfs/dbraw/zinc/50/15/27/1095501527.db2.gz XKAVANVNGCTKPR-UHFFFAOYSA-N -1 0 345.257 2.574 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001601091471 1095502158 /nfs/dbraw/zinc/50/21/58/1095502158.db2.gz MFFIEFVCIBJLBH-DLBZAZTESA-N -1 0 344.374 2.806 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601091589 1095502217 /nfs/dbraw/zinc/50/22/17/1095502217.db2.gz SGKFQWQNXTUAMC-UHFFFAOYSA-N -1 0 346.346 2.599 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001601089666 1095502547 /nfs/dbraw/zinc/50/25/47/1095502547.db2.gz QCQBEIISTJXLJS-HNNXBMFYSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1cc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(F)cc1F ZINC001601090820 1095502624 /nfs/dbraw/zinc/50/26/24/1095502624.db2.gz WEGOCNFGSWPPIW-JTQLQIEISA-N -1 0 337.326 2.945 20 30 EFEDRM N#Cc1cc2cccnc2nc1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601091527 1095502947 /nfs/dbraw/zinc/50/29/47/1095502947.db2.gz OPRMPAYEUKNMAK-UHFFFAOYSA-N -1 0 344.334 2.688 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)ccc1F ZINC001601090565 1095502971 /nfs/dbraw/zinc/50/29/71/1095502971.db2.gz HWQDWKMJTJOLRJ-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)ccn1 ZINC001601090506 1095503005 /nfs/dbraw/zinc/50/30/05/1095503005.db2.gz FNYUQZZJEUKSKT-AWEZNQCLSA-N -1 0 338.367 2.551 20 30 EFEDRM N#Cc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601091960 1095503052 /nfs/dbraw/zinc/50/30/52/1095503052.db2.gz IJZRZFTZOOYZQZ-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001601091546 1095503100 /nfs/dbraw/zinc/50/31/00/1095503100.db2.gz PWBKUZXXJMGVHQ-JKSUJKDBSA-N -1 0 338.363 2.920 20 30 EFEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1Cl ZINC001601093165 1095503871 /nfs/dbraw/zinc/50/38/71/1095503871.db2.gz WLKALCGTMYJKJX-UHFFFAOYSA-N -1 0 328.755 2.939 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)nc1Cl ZINC001601092104 1095504497 /nfs/dbraw/zinc/50/44/97/1095504497.db2.gz JABCCZZQMPSUEO-LLVKDONJSA-N -1 0 341.754 2.825 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c(F)c1 ZINC001601092937 1095504646 /nfs/dbraw/zinc/50/46/46/1095504646.db2.gz UICQSSJAIKUUHD-HEHGZKQESA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccc(Cl)nc2)C(=O)[O-])cc1 ZINC001601095772 1095505921 /nfs/dbraw/zinc/50/59/21/1095505921.db2.gz BYOAQZGBAOGKHQ-LWAXHKBTSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001601095448 1095506258 /nfs/dbraw/zinc/50/62/58/1095506258.db2.gz QVCHTCUGHWNOEW-QUCCMNQESA-N -1 0 346.390 2.636 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001601094400 1095506509 /nfs/dbraw/zinc/50/65/09/1095506509.db2.gz VROGLNAPLSPRBQ-BBRMVZONSA-N -1 0 338.363 2.844 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C[C@H]2CCC3(CCC3)O2)C(=O)[O-])cc1 ZINC001601095797 1095506995 /nfs/dbraw/zinc/50/69/95/1095506995.db2.gz CGQFWPWGHNUCLO-ZBFHGGJFSA-N -1 0 329.352 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)nc1Cl ZINC001601094607 1095507200 /nfs/dbraw/zinc/50/72/00/1095507200.db2.gz OVFMEKAVESGGSG-UHFFFAOYSA-N -1 0 334.690 2.592 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)c3ccccc32)C(=O)[O-])cc1 ZINC001601096120 1095507944 /nfs/dbraw/zinc/50/79/44/1095507944.db2.gz OILPPXLTBWSMKQ-RDJZCZTQSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@H](CC(=O)[O-])C3CC3)CCCC2)cc1 ZINC001601097231 1095508423 /nfs/dbraw/zinc/50/84/23/1095508423.db2.gz BWNAYTSSNMQRMC-INIZCTEOSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCOC3(CCCC3)C2)C(=O)[O-])cc1 ZINC001601096550 1095508782 /nfs/dbraw/zinc/50/87/82/1095508782.db2.gz XFDHQRIVWFYLDC-CVEARBPZSA-N -1 0 343.379 2.967 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCCc2ccccc2N)C(=O)[O-])cc1 ZINC001601096076 1095508846 /nfs/dbraw/zinc/50/88/46/1095508846.db2.gz NNIJSUWMYJGERM-GOSISDBHSA-N -1 0 338.363 2.832 20 30 EFEDRM N#Cc1ccc([C@@H](SCc2ccccc2C(=O)[O-])C(N)=O)cc1 ZINC001601098734 1095509473 /nfs/dbraw/zinc/50/94/73/1095509473.db2.gz ASDXZZNKNVSHPK-OAHLLOKOSA-N -1 0 326.377 2.716 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC001601099180 1095509761 /nfs/dbraw/zinc/50/97/61/1095509761.db2.gz HKEZYKMPQGCVAX-UHFFFAOYSA-N -1 0 343.408 2.993 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)nc1 ZINC001601097448 1095510079 /nfs/dbraw/zinc/51/00/79/1095510079.db2.gz HOWRZXFLOUCLEP-HOTGVXAUSA-N -1 0 341.411 2.550 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3ccsc3C(=O)[O-])CCO2)cc1 ZINC001601098797 1095510240 /nfs/dbraw/zinc/51/02/40/1095510240.db2.gz YOBHXBDIBYXRQO-HNNXBMFYSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)cc1 ZINC001601098825 1095510303 /nfs/dbraw/zinc/51/03/03/1095510303.db2.gz YSDBUQWBINRAKB-HNNXBMFYSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC001601098555 1095510393 /nfs/dbraw/zinc/51/03/93/1095510393.db2.gz PKZAMTOOMSGGMK-LJQANCHMSA-N -1 0 345.358 2.591 20 30 EFEDRM N#Cc1ccc([C@@H]2CN([C@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC001601098596 1095510599 /nfs/dbraw/zinc/51/05/99/1095510599.db2.gz RMWQYJZDSHBZSU-HOTGVXAUSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC001601099346 1095511756 /nfs/dbraw/zinc/51/17/56/1095511756.db2.gz LBVIKHGTNLKYDC-BZSNNMDCSA-N -1 0 340.423 2.983 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001601100328 1095511809 /nfs/dbraw/zinc/51/18/09/1095511809.db2.gz YMHPULKIUOUTTC-SFHVURJKSA-N -1 0 336.391 2.693 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001601099348 1095512049 /nfs/dbraw/zinc/51/20/49/1095512049.db2.gz LBVIKHGTNLKYDC-OKZBNKHCSA-N -1 0 340.423 2.983 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001601103001 1095513685 /nfs/dbraw/zinc/51/36/85/1095513685.db2.gz WXFVJGDDCQLXAK-UHFFFAOYSA-N -1 0 345.305 2.534 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])s2)cc1Cl ZINC001601101178 1095513816 /nfs/dbraw/zinc/51/38/16/1095513816.db2.gz BCKKJHBZBSYJHJ-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC001601101363 1095513886 /nfs/dbraw/zinc/51/38/86/1095513886.db2.gz MELFFBPQNMDNOY-UHFFFAOYSA-N -1 0 341.392 2.586 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nc1 ZINC001601101177 1095514044 /nfs/dbraw/zinc/51/40/44/1095514044.db2.gz BCICKEQPVZEOPT-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1ccc(Cn2cc(C3CCC(C(=O)[O-])CC3)nn2)c(F)c1 ZINC001601103913 1095514861 /nfs/dbraw/zinc/51/48/61/1095514861.db2.gz UYAVECINQNGGBS-UHFFFAOYSA-N -1 0 328.347 2.696 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])cs3)CC2)c(F)c1 ZINC001601106087 1095515010 /nfs/dbraw/zinc/51/50/10/1095515010.db2.gz OCNQCZMDDORYTP-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1ccc(N2CCSC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC001601106461 1095515089 /nfs/dbraw/zinc/51/50/89/1095515089.db2.gz VCSLHHZJSOMEKZ-JTQLQIEISA-N -1 0 341.230 2.575 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001601103689 1095515174 /nfs/dbraw/zinc/51/51/74/1095515174.db2.gz WINGBEVFUBEHCU-CQSZACIVSA-N -1 0 328.755 2.810 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001601106731 1095515469 /nfs/dbraw/zinc/51/54/69/1095515469.db2.gz ZQGQOBDLRLTLRJ-UHFFFAOYSA-N -1 0 348.721 2.766 20 30 EFEDRM N#Cc1ccc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601107951 1095516183 /nfs/dbraw/zinc/51/61/83/1095516183.db2.gz TZHYBBSCQJVSOC-ZDUSSCGKSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC001601107714 1095516312 /nfs/dbraw/zinc/51/63/12/1095516312.db2.gz GECSJQUHBMAEIW-UHFFFAOYSA-N -1 0 341.392 2.857 20 30 EFEDRM N#Cc1ccc(OC2CN(c3ncc(C(=O)[O-])cc3Cl)C2)cc1 ZINC001601109233 1095516368 /nfs/dbraw/zinc/51/63/68/1095516368.db2.gz KNFMXIQDTGPIDG-UHFFFAOYSA-N -1 0 329.743 2.572 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001601107139 1095516607 /nfs/dbraw/zinc/51/66/07/1095516607.db2.gz DCXPYKOCWVSEMT-IBGZPJMESA-N -1 0 335.363 2.818 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601107663 1095516752 /nfs/dbraw/zinc/51/67/52/1095516752.db2.gz CDPVXTSNPWXUOD-OAHLLOKOSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001601108690 1095516789 /nfs/dbraw/zinc/51/67/89/1095516789.db2.gz UCYXOXRPNPMXRG-UHFFFAOYSA-N -1 0 334.335 2.788 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001601108241 1095516912 /nfs/dbraw/zinc/51/69/12/1095516912.db2.gz IHYRXWIAJZOHKX-UHFFFAOYSA-N -1 0 325.324 2.605 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c(Cl)c1 ZINC001601107302 1095516936 /nfs/dbraw/zinc/51/69/36/1095516936.db2.gz JFGJZTZTEWWKGB-BIAAXOCRSA-N -1 0 333.775 2.832 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(C(=O)[O-])c1 ZINC001601112545 1095517950 /nfs/dbraw/zinc/51/79/50/1095517950.db2.gz BPQRCANIRVABCU-HZSPNIEDSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001601110633 1095518101 /nfs/dbraw/zinc/51/81/01/1095518101.db2.gz CDZBNJSTDAWAHP-AAEUAGOBSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001601109712 1095518167 /nfs/dbraw/zinc/51/81/67/1095518167.db2.gz JVCBJAALYAAMHK-UHFFFAOYSA-N -1 0 343.379 2.905 20 30 EFEDRM N#Cc1ccc2c(c1)CCCN2C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001601115558 1095519456 /nfs/dbraw/zinc/51/94/56/1095519456.db2.gz QDZPIGJEHSUYLA-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C2 ZINC001601114208 1095519527 /nfs/dbraw/zinc/51/95/27/1095519527.db2.gz ODGGSMOSXHKEID-AWEZNQCLSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC001601114635 1095519610 /nfs/dbraw/zinc/51/96/10/1095519610.db2.gz VMVVIBYVBGSJGM-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM N#Cc1cccc(C#N)c1NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001601115009 1095519625 /nfs/dbraw/zinc/51/96/25/1095519625.db2.gz KTHVCKAOGVJZCI-HNNXBMFYSA-N -1 0 325.299 2.513 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001601113746 1095520078 /nfs/dbraw/zinc/52/00/78/1095520078.db2.gz SRVGWJQMUPNBNJ-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001601114766 1095520360 /nfs/dbraw/zinc/52/03/60/1095520360.db2.gz GWZJJAPOAIGGTO-PVUWLOKVSA-N -1 0 341.411 2.878 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C2 ZINC001601113902 1095520468 /nfs/dbraw/zinc/52/04/68/1095520468.db2.gz DAWGUPSLIMJVHQ-ZDUSSCGKSA-N -1 0 327.365 2.607 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C[C@@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC001601117059 1095521132 /nfs/dbraw/zinc/52/11/32/1095521132.db2.gz BGRKARMAHKQGDG-YJBOKZPZSA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C[C@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC001601117056 1095521147 /nfs/dbraw/zinc/52/11/47/1095521147.db2.gz BGRKARMAHKQGDG-CRAIPNDOSA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)CC2 ZINC001601115930 1095521387 /nfs/dbraw/zinc/52/13/87/1095521387.db2.gz XZVIOUQBTWFBTC-UZLBHIALSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)cc(F)c2N)C(=O)[O-])c1 ZINC001601117061 1095521590 /nfs/dbraw/zinc/52/15/90/1095521590.db2.gz BHDXAUFQQMEWNY-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN(CC(=O)[O-])C3CCCCC3)o2)c1 ZINC001601116204 1095521813 /nfs/dbraw/zinc/52/18/13/1095521813.db2.gz OCDLGHUQJRLTFG-UHFFFAOYSA-N -1 0 340.383 2.828 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1csc(C(=O)[O-])n1 ZINC001601115779 1095522480 /nfs/dbraw/zinc/52/24/80/1095522480.db2.gz URJUBDBMLOVISD-GFCCVEGCSA-N -1 0 327.365 2.520 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C[C@H]2OCc3ccccc32)C(=O)[O-])c1 ZINC001601118600 1095523293 /nfs/dbraw/zinc/52/32/93/1095523293.db2.gz YSIYSEIRKPVBBN-AEFFLSMTSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCN(c3cccs3)CC2)c1 ZINC001601119022 1095523484 /nfs/dbraw/zinc/52/34/84/1095523484.db2.gz NFFPZVLFASDUHZ-MRXNPFEDSA-N -1 0 327.409 2.568 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(O)ccc2Cl)C(=O)[O-])c1 ZINC001601118524 1095524166 /nfs/dbraw/zinc/52/41/66/1095524166.db2.gz WZJVQQGDJYFRGG-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3ccccc3CC(=O)[O-])CCO2)c1 ZINC001601120229 1095524882 /nfs/dbraw/zinc/52/48/82/1095524882.db2.gz NSYORCXNHVXQNC-LJQANCHMSA-N -1 0 336.391 2.759 20 30 EFEDRM N#Cc1cccc(NC2CN(c3nc(Cl)c(C(=O)[O-])s3)C2)c1 ZINC001601120761 1095525947 /nfs/dbraw/zinc/52/59/47/1095525947.db2.gz KTUVPDQNSGEBAO-UHFFFAOYSA-N -1 0 334.788 2.667 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001601123107 1095526631 /nfs/dbraw/zinc/52/66/31/1095526631.db2.gz XGQXTPWQLNIFPI-QGZVFWFLSA-N -1 0 348.358 2.659 20 30 EFEDRM N#Cc1cccc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001601122636 1095526642 /nfs/dbraw/zinc/52/66/42/1095526642.db2.gz RSMKPQXZPSFCOQ-UONOGXRCSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)n1 ZINC001601123064 1095527642 /nfs/dbraw/zinc/52/76/42/1095527642.db2.gz LPFZQHLLKNCLII-CQSZACIVSA-N -1 0 346.184 2.631 20 30 EFEDRM N#Cc1cccc(CC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC001601122385 1095527888 /nfs/dbraw/zinc/52/78/88/1095527888.db2.gz JZZRXYFFZFDIQY-KRWDZBQOSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001601123978 1095528541 /nfs/dbraw/zinc/52/85/41/1095528541.db2.gz DNTYWBBTPPAAGT-CQSZACIVSA-N -1 0 330.290 2.592 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001601124610 1095528851 /nfs/dbraw/zinc/52/88/51/1095528851.db2.gz VKAWMXYUIAOWKB-AWEZNQCLSA-N -1 0 336.338 2.800 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)c21 ZINC001601124889 1095529155 /nfs/dbraw/zinc/52/91/55/1095529155.db2.gz XEQMGRIGHJGVOH-UHFFFAOYSA-N -1 0 331.331 2.941 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001601123965 1095529342 /nfs/dbraw/zinc/52/93/42/1095529342.db2.gz CSJBRMSNVPGWMG-LBPRGKRZSA-N -1 0 336.319 2.654 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001601124317 1095529386 /nfs/dbraw/zinc/52/93/86/1095529386.db2.gz KSCRUDTVCMRUGA-AWEZNQCLSA-N -1 0 344.317 2.635 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1 ZINC001601124468 1095529544 /nfs/dbraw/zinc/52/95/44/1095529544.db2.gz MAYAZVFCUORMNH-FGTMMUONSA-N -1 0 346.386 2.952 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4c3cccc4C(=O)[O-])c21 ZINC001601124097 1095529593 /nfs/dbraw/zinc/52/95/93/1095529593.db2.gz CHGRJNFUQUSKSX-UHFFFAOYSA-N -1 0 331.331 2.941 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001601124405 1095529688 /nfs/dbraw/zinc/52/96/88/1095529688.db2.gz PHGKKWKMQISHBZ-UHFFFAOYSA-N -1 0 336.338 2.944 20 30 EFEDRM N#Cc1ccccc1NC(=S)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001601125359 1095530255 /nfs/dbraw/zinc/53/02/55/1095530255.db2.gz GOZOKXQEXQOQBL-KCQAQPDRSA-N -1 0 329.425 2.830 20 30 EFEDRM N#Cc1ccccc1NC1CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC001601125071 1095530349 /nfs/dbraw/zinc/53/03/49/1095530349.db2.gz BCFYYSHHRULYIL-UHFFFAOYSA-N -1 0 349.390 2.973 20 30 EFEDRM N#Cc1ccn(Cc2c(C(=O)[O-])sc3cccc(F)c32)c(=O)c1 ZINC001601127627 1095531015 /nfs/dbraw/zinc/53/10/15/1095531015.db2.gz SHODHGPEHCKHSI-UHFFFAOYSA-N -1 0 328.324 2.820 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001601126895 1095531069 /nfs/dbraw/zinc/53/10/69/1095531069.db2.gz UPEMZYDYUJHNCT-UHFFFAOYSA-N -1 0 331.368 2.905 20 30 EFEDRM N#Cc1ccccc1OCc1nnc(Cc2cccc(C(=O)[O-])c2)o1 ZINC001601126768 1095531081 /nfs/dbraw/zinc/53/10/81/1095531081.db2.gz NMOPMILIPVTOHF-UHFFFAOYSA-N -1 0 335.319 2.809 20 30 EFEDRM N#Cc1cccnc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001601128008 1095531306 /nfs/dbraw/zinc/53/13/06/1095531306.db2.gz DEUHIPUYBPDIFY-UONOGXRCSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001601126392 1095531515 /nfs/dbraw/zinc/53/15/15/1095531515.db2.gz WMTYJFICPDAAFM-UHFFFAOYSA-N -1 0 330.290 2.916 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001601127844 1095531588 /nfs/dbraw/zinc/53/15/88/1095531588.db2.gz TZLQOWPLZNGXPC-HWWDLCQESA-N -1 0 348.358 2.753 20 30 EFEDRM N#Cc1ccnc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001601128831 1095532168 /nfs/dbraw/zinc/53/21/68/1095532168.db2.gz XNJNGZBLQCZCPE-LSDHHAIUSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@H](CC(=O)[O-])C1 ZINC001601130357 1095532180 /nfs/dbraw/zinc/53/21/80/1095532180.db2.gz CYWIVRCVLAJOGO-SNVBAGLBSA-N -1 0 349.749 2.579 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001601128735 1095532357 /nfs/dbraw/zinc/53/23/57/1095532357.db2.gz VIWQEOAOVNDFTG-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cn(Cc2nc(C(=O)[O-])cs2)c2ccc(Cl)cc2c1=O ZINC001601129043 1095532502 /nfs/dbraw/zinc/53/25/02/1095532502.db2.gz JBQUOUJYOOOZKW-UHFFFAOYSA-N -1 0 345.767 2.730 20 30 EFEDRM N#Cc1cnc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c(Cl)c1 ZINC001601129280 1095532695 /nfs/dbraw/zinc/53/26/95/1095532695.db2.gz VKVYKYSEHZBFLI-UHFFFAOYSA-N -1 0 348.771 2.571 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2CCOc3c(cccc3C(=O)[O-])C2)c1 ZINC001601130170 1095533209 /nfs/dbraw/zinc/53/32/09/1095533209.db2.gz KXQPWBOMWHZTLD-UHFFFAOYSA-N -1 0 343.770 2.699 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601129531 1095533300 /nfs/dbraw/zinc/53/33/00/1095533300.db2.gz IMYHBYROFOFETR-BDAKNGLRSA-N -1 0 347.318 2.737 20 30 EFEDRM N#Cc1ccncc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001601128675 1095533354 /nfs/dbraw/zinc/53/33/54/1095533354.db2.gz SDLRTFPAOVXFCW-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1csc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001601132182 1095533984 /nfs/dbraw/zinc/53/39/84/1095533984.db2.gz KHYPRJMOWLDUFK-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCNc1nc2ccccc2s1 ZINC001601133717 1095534054 /nfs/dbraw/zinc/53/40/54/1095534054.db2.gz YKZIUWMXUSHCHF-UHFFFAOYSA-N -1 0 339.380 2.785 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC(Cc2ccc(Cl)cc2)C1 ZINC001601132908 1095534190 /nfs/dbraw/zinc/53/41/90/1095534190.db2.gz HFNQKNTUTCPPBP-UHFFFAOYSA-N -1 0 327.771 2.984 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCNc1ccc2ccccc2n1 ZINC001601132528 1095534956 /nfs/dbraw/zinc/53/49/56/1095534956.db2.gz AJJCWBFFDXNSLD-UHFFFAOYSA-N -1 0 333.351 2.724 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001601133115 1095535231 /nfs/dbraw/zinc/53/52/31/1095535231.db2.gz MAPWFVGSRCFFNF-GFCCVEGCSA-N -1 0 340.358 2.871 20 30 EFEDRM N#Cc1nc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1C(F)(F)F ZINC001601134555 1095535641 /nfs/dbraw/zinc/53/56/41/1095535641.db2.gz UXXZBAUZYMPUOX-MWODSPESSA-N -1 0 325.290 2.662 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601136050 1095536394 /nfs/dbraw/zinc/53/63/94/1095536394.db2.gz CFQVZELTGYVCMO-UHFFFAOYSA-N -1 0 346.346 2.599 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Nc1cccc(N2CCCCC2=O)c1 ZINC001601135167 1095536520 /nfs/dbraw/zinc/53/65/20/1095536520.db2.gz YHONANKXVKDKLN-UHFFFAOYSA-N -1 0 336.351 2.912 20 30 EFEDRM N#Cc1sc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)nc1Cl ZINC001601136016 1095536575 /nfs/dbraw/zinc/53/65/75/1095536575.db2.gz AMZHOINXGPKDKY-MRVPVSSYSA-N -1 0 342.808 2.823 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1coc(-c2cccs2)n1 ZINC001601135037 1095536615 /nfs/dbraw/zinc/53/66/15/1095536615.db2.gz VHOMQQISZRBCRL-UHFFFAOYSA-N -1 0 326.337 2.980 20 30 EFEDRM N#Cc1nc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)sc1Cl ZINC001601134630 1095536623 /nfs/dbraw/zinc/53/66/23/1095536623.db2.gz VTZPOHFHINYIAV-VIFPVBQESA-N -1 0 325.699 2.512 20 30 EFEDRM O=C(C#Cc1cccs1)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001601224726 1095563203 /nfs/dbraw/zinc/56/32/03/1095563203.db2.gz FCORKGMPNBZYJP-HNNXBMFYSA-N -1 0 339.372 2.658 20 30 EFEDRM O=C(C#Cc1cccs1)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001601225098 1095563535 /nfs/dbraw/zinc/56/35/35/1095563535.db2.gz HDNQYKGTRFWBEU-UHFFFAOYSA-N -1 0 339.372 2.903 20 30 EFEDRM O=C([O-])c1cc(NC(=O)C#CC2CC2)cc(Br)c1F ZINC001601223525 1095563733 /nfs/dbraw/zinc/56/37/33/1095563733.db2.gz IWSSLETZMOQXGP-UHFFFAOYSA-N -1 0 326.121 2.638 20 30 EFEDRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 ZINC001601237790 1095571708 /nfs/dbraw/zinc/57/17/08/1095571708.db2.gz DYDRVXXLICBFFZ-BAQGIRSFSA-N -1 0 331.274 2.884 20 30 EFEDRM Cc1ccc2c(c1)scc2C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000796811866 1095630939 /nfs/dbraw/zinc/63/09/39/1095630939.db2.gz KESNBGLTOQSPOE-UHFFFAOYSA-N -1 0 336.438 2.819 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000785249441 1095699214 /nfs/dbraw/zinc/69/92/14/1095699214.db2.gz IDIAFKLBOHUDCB-UHFFFAOYSA-N -1 0 349.383 2.650 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)nn1 ZINC001601600909 1095753760 /nfs/dbraw/zinc/75/37/60/1095753760.db2.gz LVHFKPPYPLPYJO-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM O=C([O-])CCC1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC001601977156 1096003007 /nfs/dbraw/zinc/00/30/07/1096003007.db2.gz ZURBFMNLISQYDI-XVNBXDOJSA-N -1 0 333.359 2.511 20 30 EFEDRM O=C([O-])COc1ccccc1/C=C/C(=O)c1cnn(C2CCC2)c1 ZINC001602095730 1096061475 /nfs/dbraw/zinc/06/14/75/1096061475.db2.gz MROAZYAXBBTYNV-CMDGGOBGSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([O-])Cn1cccc1CN=Nc1nc(-c2ccc(Cl)cc2)no1 ZINC001602166513 1096098516 /nfs/dbraw/zinc/09/85/16/1096098516.db2.gz STYGYLZFKGMACZ-UHFFFAOYSA-N -1 0 345.746 2.722 20 30 EFEDRM O=C([O-])Cn1cccc1C=NNc1ccc(F)cc1Br ZINC001602166340 1096098773 /nfs/dbraw/zinc/09/87/73/1096098773.db2.gz ODVLSZCBYBOKJW-UHFFFAOYSA-N -1 0 340.152 2.920 20 30 EFEDRM O=C([O-])c1c(F)cccc1N=NCc1ccc(-n2cncn2)cc1 ZINC001602231315 1096129701 /nfs/dbraw/zinc/12/97/01/1096129701.db2.gz XFKGIZGMCJQFFY-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1ccc(C(F)(F)F)cn1 ZINC001602306196 1096169058 /nfs/dbraw/zinc/16/90/58/1096169058.db2.gz MPSNRQCJFWDNQE-UHFFFAOYSA-N -1 0 339.277 2.605 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1nc(C(F)(F)F)cs1 ZINC001602306265 1096169267 /nfs/dbraw/zinc/16/92/67/1096169267.db2.gz OZQFRCWHIIJDJQ-UHFFFAOYSA-N -1 0 345.306 2.667 20 30 EFEDRM O=C([O-])c1ccc(N2CCN(CC#Cc3ccc(F)cc3)CC2)s1 ZINC001602372143 1096210358 /nfs/dbraw/zinc/21/03/58/1096210358.db2.gz XBXSHSXGKMGNPP-UHFFFAOYSA-N -1 0 344.411 2.759 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001602472154 1096263774 /nfs/dbraw/zinc/26/37/74/1096263774.db2.gz VODGTWJWXCNTNC-OAHLLOKOSA-N -1 0 326.352 2.999 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C/c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC001602533443 1096286250 /nfs/dbraw/zinc/28/62/50/1096286250.db2.gz DIBWCFQQNDFQHA-ZVVFDCPKSA-N -1 0 339.347 2.844 20 30 EFEDRM C#C[C@@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602670648 1096344200 /nfs/dbraw/zinc/34/42/00/1096344200.db2.gz ZEFUBRDDXBIQFQ-SKDRFNHKSA-N -1 0 328.290 2.542 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001602671542 1096345155 /nfs/dbraw/zinc/34/51/55/1096345155.db2.gz WAUFDHGMCQSTAZ-CYBMUJFWSA-N -1 0 327.336 2.861 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC001602674516 1096345968 /nfs/dbraw/zinc/34/59/68/1096345968.db2.gz QHPHMXSLLLFMMX-LBPRGKRZSA-N -1 0 348.152 2.845 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001602672728 1096346088 /nfs/dbraw/zinc/34/60/88/1096346088.db2.gz HJFGXBUIFHPDEZ-MRXNPFEDSA-N -1 0 326.327 2.949 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001602674826 1096346509 /nfs/dbraw/zinc/34/65/09/1096346509.db2.gz WBULDWKQCGTIHY-CYBMUJFWSA-N -1 0 332.356 2.759 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC001602674543 1096346946 /nfs/dbraw/zinc/34/69/46/1096346946.db2.gz QYRQARPDJUDLJD-INIZCTEOSA-N -1 0 338.363 2.567 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001602683659 1096349488 /nfs/dbraw/zinc/34/94/88/1096349488.db2.gz SDORUSPTWRVVKP-SECBINFHSA-N -1 0 342.754 2.727 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CC(C)C ZINC001602682497 1096349771 /nfs/dbraw/zinc/34/97/71/1096349771.db2.gz ADUQWSWNIUPEPI-OAGGEKHMSA-N -1 0 346.475 2.998 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602685227 1096349904 /nfs/dbraw/zinc/34/99/04/1096349904.db2.gz PHUXQRYSIZCRAH-AWEZNQCLSA-N -1 0 342.420 2.880 20 30 EFEDRM C#CC[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602684631 1096350129 /nfs/dbraw/zinc/35/01/29/1096350129.db2.gz CFSSRDWKGZKALP-SNVBAGLBSA-N -1 0 336.121 2.678 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1)c1ccc(F)cc1 ZINC001602689304 1096350723 /nfs/dbraw/zinc/35/07/23/1096350723.db2.gz QPCFSOABHPUANI-INIZCTEOSA-N -1 0 349.369 2.727 20 30 EFEDRM C#CC[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602693519 1096350820 /nfs/dbraw/zinc/35/08/20/1096350820.db2.gz WNBRCJXPGFEAHF-LLVKDONJSA-N -1 0 334.784 2.670 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC001602693593 1096351848 /nfs/dbraw/zinc/35/18/48/1096351848.db2.gz YYHRJODGPMBJML-GOSISDBHSA-N -1 0 348.358 2.751 20 30 EFEDRM C#C[C@H](NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(F)cc1 ZINC001602691288 1096351856 /nfs/dbraw/zinc/35/18/56/1096351856.db2.gz VJKFYLSVHHKSAH-INIZCTEOSA-N -1 0 325.322 2.609 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1 ZINC001602689451 1096351937 /nfs/dbraw/zinc/35/19/37/1096351937.db2.gz RHHVEZUMJHJLLJ-HNNXBMFYSA-N -1 0 336.330 2.502 20 30 EFEDRM C#CC[C@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001602692504 1096351955 /nfs/dbraw/zinc/35/19/55/1096351955.db2.gz NYQLBCFDNBUOBW-SFHVURJKSA-N -1 0 336.391 2.991 20 30 EFEDRM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001602689121 1096352157 /nfs/dbraw/zinc/35/21/57/1096352157.db2.gz CAUWSSZWPJYITE-LBPRGKRZSA-N -1 0 348.366 2.802 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])CCCCC1 ZINC001602699592 1096353685 /nfs/dbraw/zinc/35/36/85/1096353685.db2.gz DWXZVVADIXJHRW-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCCCCC(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001602702572 1096354625 /nfs/dbraw/zinc/35/46/25/1096354625.db2.gz GXCIALBSBWGHFW-UHFFFAOYSA-N -1 0 327.336 2.786 20 30 EFEDRM C#CCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CSC1 ZINC001602711681 1096354869 /nfs/dbraw/zinc/35/48/69/1096354869.db2.gz OOQXUMLRXXVQFQ-UHFFFAOYSA-N -1 0 342.779 2.760 20 30 EFEDRM C#CCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001602702667 1096355504 /nfs/dbraw/zinc/35/55/04/1096355504.db2.gz PYUQRXRNEXEEPT-SNVBAGLBSA-N -1 0 335.425 2.938 20 30 EFEDRM C#CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602705286 1096355683 /nfs/dbraw/zinc/35/56/83/1096355683.db2.gz MPDNRJZEWLXJEB-UHFFFAOYSA-N -1 0 340.326 2.954 20 30 EFEDRM C#CCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCCc2ccccc21 ZINC001602713935 1096356267 /nfs/dbraw/zinc/35/62/67/1096356267.db2.gz WGQQALIFUAGDRU-SFHVURJKSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001602730644 1096357045 /nfs/dbraw/zinc/35/70/45/1096357045.db2.gz XSAIHHPLFICPBM-CYBMUJFWSA-N -1 0 348.374 2.946 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001602720814 1096357433 /nfs/dbraw/zinc/35/74/33/1096357433.db2.gz IKACVOPAOSSUQX-UHFFFAOYSA-N -1 0 343.404 2.517 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001602733822 1096357828 /nfs/dbraw/zinc/35/78/28/1096357828.db2.gz AHTTUZPFTPOZCF-GFCCVEGCSA-N -1 0 325.320 2.710 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001602734367 1096357913 /nfs/dbraw/zinc/35/79/13/1096357913.db2.gz QGEVNNVISXYLAL-NTMALXAHSA-N -1 0 326.304 2.746 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001602734483 1096358148 /nfs/dbraw/zinc/35/81/48/1096358148.db2.gz WCXRJWROQUSWGI-QGZVFWFLSA-N -1 0 334.347 2.603 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001602738180 1096359329 /nfs/dbraw/zinc/35/93/29/1096359329.db2.gz NETIYDYXTIVRLL-UHFFFAOYSA-N -1 0 333.390 2.924 20 30 EFEDRM C#Cc1ccccc1CC(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001602743372 1096359339 /nfs/dbraw/zinc/35/93/39/1096359339.db2.gz NWVPAYFIKKQILX-LUAWRHEFSA-N -1 0 336.343 2.922 20 30 EFEDRM C#Cc1cccc(NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001602743267 1096359855 /nfs/dbraw/zinc/35/98/55/1096359855.db2.gz KVINEAUOJVQAHP-HXUWFJFHSA-N -1 0 334.375 2.928 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CC1 ZINC001602739518 1096360056 /nfs/dbraw/zinc/36/00/56/1096360056.db2.gz HHLPZFRDKRVOTA-IJLUTSLNSA-N -1 0 347.440 2.646 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001602742043 1096360118 /nfs/dbraw/zinc/36/01/18/1096360118.db2.gz AMXRQUKYJYHQDT-MRXNPFEDSA-N -1 0 328.412 2.700 20 30 EFEDRM C=C(Br)COC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001602744769 1096361628 /nfs/dbraw/zinc/36/16/28/1096361628.db2.gz MWCQPKPNOKRKFV-FZMZJTMJSA-N -1 0 325.158 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)OC)cc1Cl)C(=O)[O-] ZINC001602754491 1096362747 /nfs/dbraw/zinc/36/27/47/1096362747.db2.gz KTKJEUPUZYPHOM-GFCCVEGCSA-N -1 0 340.763 2.668 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)O[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1 ZINC001602750817 1096363603 /nfs/dbraw/zinc/36/36/03/1096363603.db2.gz YSGSZCYXDDGVSN-NVGCLXPQSA-N -1 0 341.404 2.642 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001602749735 1096364009 /nfs/dbraw/zinc/36/40/09/1096364009.db2.gz XOTYFLGUYOJUPB-HNNXBMFYSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001602754778 1096364548 /nfs/dbraw/zinc/36/45/48/1096364548.db2.gz UWOHTFJKKLPVJK-CQSZACIVSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)C(=O)[O-] ZINC001602755095 1096364919 /nfs/dbraw/zinc/36/49/19/1096364919.db2.gz HDQQVRBQDYWZCL-AWEZNQCLSA-N -1 0 343.383 2.543 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001602754777 1096365318 /nfs/dbraw/zinc/36/53/18/1096365318.db2.gz UWOHTFJKKLPVJK-AWEZNQCLSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)CONC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001602764794 1096365669 /nfs/dbraw/zinc/36/56/69/1096365669.db2.gz QZTVIDHMSDNOGT-UHFFFAOYSA-N -1 0 329.150 2.777 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602765796 1096366033 /nfs/dbraw/zinc/36/60/33/1096366033.db2.gz JXRPNSZDGQJHOP-CYBMUJFWSA-N -1 0 344.390 2.961 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001602761871 1096366459 /nfs/dbraw/zinc/36/64/59/1096366459.db2.gz IBVGXQBFOGAVHC-SFHVURJKSA-N -1 0 340.379 2.848 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001602761870 1096366509 /nfs/dbraw/zinc/36/65/09/1096366509.db2.gz IBVGXQBFOGAVHC-GOSISDBHSA-N -1 0 340.379 2.848 20 30 EFEDRM C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnc1C(C)(F)F ZINC001602771022 1096367030 /nfs/dbraw/zinc/36/70/30/1096367030.db2.gz HXTJCGSPEWCKIX-WDEREUQCSA-N -1 0 328.363 2.513 20 30 EFEDRM C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001602768426 1096367508 /nfs/dbraw/zinc/36/75/08/1096367508.db2.gz HQHYPWUIELKMRB-KRWDZBQOSA-N -1 0 336.411 2.590 20 30 EFEDRM C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602769250 1096367522 /nfs/dbraw/zinc/36/75/22/1096367522.db2.gz WCUBGIHOKFYNHD-CXAGYDPISA-N -1 0 336.436 2.643 20 30 EFEDRM C=C(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001602772466 1096367633 /nfs/dbraw/zinc/36/76/33/1096367633.db2.gz ZKEZUQIAUUKYPI-CQSZACIVSA-N -1 0 333.384 2.571 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602768314 1096368095 /nfs/dbraw/zinc/36/80/95/1096368095.db2.gz GARXFKJTIRMLNT-AWEZNQCLSA-N -1 0 344.415 2.533 20 30 EFEDRM C=C(CC)CNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001602774801 1096368600 /nfs/dbraw/zinc/36/86/00/1096368600.db2.gz XGMSOCRBIQZKBG-UONOGXRCSA-N -1 0 338.354 2.741 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(Br)s1 ZINC001602774743 1096368670 /nfs/dbraw/zinc/36/86/70/1096368670.db2.gz VMXNNUIURHUJSS-UHFFFAOYSA-N -1 0 332.219 2.890 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC001602778602 1096369026 /nfs/dbraw/zinc/36/90/26/1096369026.db2.gz RUERVCLZMHQKHS-CYBMUJFWSA-N -1 0 341.766 2.800 20 30 EFEDRM C=C[C@@H](C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001602780973 1096369117 /nfs/dbraw/zinc/36/91/17/1096369117.db2.gz VBNLBEFRHVIPSB-AEFFLSMTSA-N -1 0 345.406 2.940 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](CC(=O)OCC)c2ccccc21 ZINC001602775677 1096369170 /nfs/dbraw/zinc/36/91/70/1096369170.db2.gz HARHQUYNOQRWSW-CQSZACIVSA-N -1 0 345.395 2.881 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC001602776195 1096369180 /nfs/dbraw/zinc/36/91/80/1096369180.db2.gz NJFQWLUQIVBTMI-HNNXBMFYSA-N -1 0 342.439 2.850 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001602776448 1096369199 /nfs/dbraw/zinc/36/91/99/1096369199.db2.gz RDMZZBYXPGQQBR-CYBMUJFWSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 ZINC001602774602 1096369258 /nfs/dbraw/zinc/36/92/58/1096369258.db2.gz SFPPTBIRWSSRIN-CQSZACIVSA-N -1 0 325.792 2.907 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC001602781867 1096369778 /nfs/dbraw/zinc/36/97/78/1096369778.db2.gz DZFPKTPIJSNBBK-LBPRGKRZSA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC001602778905 1096369886 /nfs/dbraw/zinc/36/98/86/1096369886.db2.gz XBBRBCLIOJXMDV-NSHDSACASA-N -1 0 340.217 2.917 20 30 EFEDRM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC001602787087 1096370341 /nfs/dbraw/zinc/37/03/41/1096370341.db2.gz YYJDUMWHLXOFAC-UHFFFAOYSA-N -1 0 331.424 2.757 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001602786632 1096370583 /nfs/dbraw/zinc/37/05/83/1096370583.db2.gz AYTHSQZYIFENLS-UHFFFAOYSA-N -1 0 334.449 2.720 20 30 EFEDRM C=C[C@H](C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1)c1ccccc1 ZINC001602801638 1096371652 /nfs/dbraw/zinc/37/16/52/1096371652.db2.gz RVRCQCDFRYWSBV-JXFKEZNVSA-N -1 0 343.423 2.565 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001602803263 1096372967 /nfs/dbraw/zinc/37/29/67/1096372967.db2.gz JXOWZODGRRAIOB-SSDOTTSWSA-N -1 0 339.812 2.549 20 30 EFEDRM C=CC(C)(C)CC(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001602807504 1096373103 /nfs/dbraw/zinc/37/31/03/1096373103.db2.gz NOKKBUNTUPJBIL-GFCCVEGCSA-N -1 0 333.384 2.535 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001602807816 1096373334 /nfs/dbraw/zinc/37/33/34/1096373334.db2.gz WGGAIEGCPYLGKV-UHFFFAOYSA-N -1 0 334.416 2.875 20 30 EFEDRM C=C[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001602813491 1096374801 /nfs/dbraw/zinc/37/48/01/1096374801.db2.gz YWLVBLCIWJTUKI-VIFPVBQESA-N -1 0 325.342 2.893 20 30 EFEDRM C=C[C@@H](N[C@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602817061 1096375143 /nfs/dbraw/zinc/37/51/43/1096375143.db2.gz UTSJKSDDIMDQEE-IAGOWNOFSA-N -1 0 327.380 2.543 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001602828324 1096377052 /nfs/dbraw/zinc/37/70/52/1096377052.db2.gz AXVMTAVSDQHDHD-LLVKDONJSA-N -1 0 329.805 2.767 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001602828797 1096377240 /nfs/dbraw/zinc/37/72/40/1096377240.db2.gz PVPMPBRXLGIJJI-JTQLQIEISA-N -1 0 329.805 2.767 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001602828647 1096377464 /nfs/dbraw/zinc/37/74/64/1096377464.db2.gz NBQUAMRUFLQIMH-SNVBAGLBSA-N -1 0 336.775 2.544 20 30 EFEDRM C=C[C@@H](Sc1nnc([C@H](CC)N(C)C)n1CCCC)C(=O)[O-] ZINC001602828632 1096378284 /nfs/dbraw/zinc/37/82/84/1096378284.db2.gz MHOQZVLSSRGBGL-NWDGAFQWSA-N -1 0 326.466 2.822 20 30 EFEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001602836293 1096381776 /nfs/dbraw/zinc/38/17/76/1096381776.db2.gz LHWAGRJTRDECOX-UHFFFAOYSA-N -1 0 347.415 2.615 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001602841943 1096382355 /nfs/dbraw/zinc/38/23/55/1096382355.db2.gz AQDIRMBFYZVNRK-SNVBAGLBSA-N -1 0 348.143 2.902 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001602845572 1096382952 /nfs/dbraw/zinc/38/29/52/1096382952.db2.gz RAXOIKOFNUTIBM-YGRLFVJLSA-N -1 0 337.397 2.698 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602845563 1096383570 /nfs/dbraw/zinc/38/35/70/1096383570.db2.gz QWMHTMCKSUQXSR-BXKDBHETSA-N -1 0 325.342 2.648 20 30 EFEDRM C=CCC1(C(=O)N[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)CCC1 ZINC001602850267 1096383744 /nfs/dbraw/zinc/38/37/44/1096383744.db2.gz VKIBAITYDJHNRB-OAHLLOKOSA-N -1 0 342.395 2.501 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)C(=O)[O-] ZINC001602849984 1096383803 /nfs/dbraw/zinc/38/38/03/1096383803.db2.gz SFPXMUWGJQNKEX-LBPRGKRZSA-N -1 0 340.763 2.620 20 30 EFEDRM C=CCC1(CNS(=O)(=O)C2CCC(C(=O)[O-])CC2)CCCC1 ZINC001602851578 1096383815 /nfs/dbraw/zinc/38/38/15/1096383815.db2.gz QREUGDUHGIUSMG-UHFFFAOYSA-N -1 0 329.462 2.686 20 30 EFEDRM C=CC[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001602848942 1096384240 /nfs/dbraw/zinc/38/42/40/1096384240.db2.gz IDBBVIDOSFDOLM-HNNXBMFYSA-N -1 0 339.351 2.650 20 30 EFEDRM C=CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)[O-] ZINC001602850763 1096384248 /nfs/dbraw/zinc/38/42/48/1096384248.db2.gz YZOAHYMWVBRWHJ-LBPRGKRZSA-N -1 0 348.384 2.995 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)c2cncc(C(=O)[O-])c2)CCCC1(C)C ZINC001602855347 1096386236 /nfs/dbraw/zinc/38/62/36/1096386236.db2.gz NTOZTKYXDBFEFM-CQSZACIVSA-N -1 0 338.429 2.535 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001602855384 1096386621 /nfs/dbraw/zinc/38/66/21/1096386621.db2.gz OUUXHDPLMGTBAR-CMPLNLGQSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602856518 1096386990 /nfs/dbraw/zinc/38/69/90/1096386990.db2.gz BMQAVCBLCLXXPL-UHFFFAOYSA-N -1 0 343.383 2.666 20 30 EFEDRM C=CCC[C@@H]1CCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001602860670 1096387396 /nfs/dbraw/zinc/38/73/96/1096387396.db2.gz LKLYCUINRUMDQS-CYBMUJFWSA-N -1 0 327.384 2.964 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001602856955 1096387694 /nfs/dbraw/zinc/38/76/94/1096387694.db2.gz LBAHDDDAFXDWLO-UHFFFAOYSA-N -1 0 341.429 2.807 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCn1c(C)nc2ccccc21)C(=O)[O-] ZINC001602864922 1096388917 /nfs/dbraw/zinc/38/89/17/1096388917.db2.gz BOXZMYBOQCYKRO-HNNXBMFYSA-N -1 0 329.400 2.661 20 30 EFEDRM C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602875010 1096390037 /nfs/dbraw/zinc/39/00/37/1096390037.db2.gz PWUBJPPOFYKBAV-LSDHHAIUSA-N -1 0 348.447 2.787 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC001602870990 1096390293 /nfs/dbraw/zinc/39/02/93/1096390293.db2.gz IVFWJTFXRJYBMG-CQSZACIVSA-N -1 0 327.384 2.924 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001602872087 1096390611 /nfs/dbraw/zinc/39/06/11/1096390611.db2.gz PIBVRCUIVLEOKB-SNVBAGLBSA-N -1 0 344.726 2.927 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)[O-] ZINC001602870145 1096390948 /nfs/dbraw/zinc/39/09/48/1096390948.db2.gz FMRPVTICXCMIPC-GFCCVEGCSA-N -1 0 349.770 2.986 20 30 EFEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H](C)COC ZINC001602887445 1096391703 /nfs/dbraw/zinc/39/17/03/1096391703.db2.gz WOKGPDQEOZFVFT-SECBINFHSA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCN(C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001602887321 1096392144 /nfs/dbraw/zinc/39/21/44/1096392144.db2.gz PSZFYBMXRMBAGW-UYJPIKCFSA-N -1 0 326.462 2.721 20 30 EFEDRM C=CCCSCCNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001602880778 1096392337 /nfs/dbraw/zinc/39/23/37/1096392337.db2.gz CTYAXSKRTVMQKD-CZUORRHYSA-N -1 0 326.462 2.582 20 30 EFEDRM C=CCN(C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)[C@H](C)COC ZINC001602887482 1096392356 /nfs/dbraw/zinc/39/23/56/1096392356.db2.gz XMEAQMVHLBVSNN-GFCCVEGCSA-N -1 0 336.388 2.586 20 30 EFEDRM C=CCCSCCNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001602881040 1096392364 /nfs/dbraw/zinc/39/23/64/1096392364.db2.gz OFWRTCDSXOOZID-GOSISDBHSA-N -1 0 348.468 2.734 20 30 EFEDRM C=CCN(CCOC)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001602891107 1096393158 /nfs/dbraw/zinc/39/31/58/1096393158.db2.gz XNJNHLMJDZIBIR-ZDUSSCGKSA-N -1 0 328.206 2.709 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001602894254 1096394070 /nfs/dbraw/zinc/39/40/70/1096394070.db2.gz YZBRHBMKHIUZLF-UHFFFAOYSA-N -1 0 346.387 2.558 20 30 EFEDRM C=CCNc1nc(-c2cn([C@@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001602904882 1096396325 /nfs/dbraw/zinc/39/63/25/1096396325.db2.gz MATFTTOTEWQREY-WDEREUQCSA-N -1 0 333.417 2.815 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001602909847 1096396973 /nfs/dbraw/zinc/39/69/73/1096396973.db2.gz KASKBSWUZXUNOO-PBHICJAKSA-N -1 0 333.428 2.761 20 30 EFEDRM C=CCOCCCOC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001602915746 1096399013 /nfs/dbraw/zinc/39/90/13/1096399013.db2.gz VFPBVAGWTPNVJX-UHFFFAOYSA-N -1 0 343.173 2.897 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1SC=CC1=O ZINC001602912485 1096399265 /nfs/dbraw/zinc/39/92/65/1096399265.db2.gz RISRPUVNAWIXAC-UHFFFAOYSA-N -1 0 347.404 2.755 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)C2CC(F)(F)C2)o1 ZINC001602912548 1096399303 /nfs/dbraw/zinc/39/93/03/1096399303.db2.gz USHRGGNGSMDEFU-UHFFFAOYSA-N -1 0 339.350 2.886 20 30 EFEDRM C=CCOCCOC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001602920708 1096399641 /nfs/dbraw/zinc/39/96/41/1096399641.db2.gz SNXYUXSUTOIMSI-UHFFFAOYSA-N -1 0 329.146 2.507 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC001602920405 1096399901 /nfs/dbraw/zinc/39/99/01/1096399901.db2.gz AVDBBMFAPPSAGS-UHFFFAOYSA-N -1 0 343.335 2.916 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@H]1CC ZINC001602925959 1096400861 /nfs/dbraw/zinc/40/08/61/1096400861.db2.gz IUVWOKNSMKKLHY-KGLIPLIRSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COc1cccnc1 ZINC001602925936 1096400867 /nfs/dbraw/zinc/40/08/67/1096400867.db2.gz IAVYJGZNWDISMH-UHFFFAOYSA-N -1 0 343.335 2.501 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001602921733 1096401416 /nfs/dbraw/zinc/40/14/16/1096401416.db2.gz OVIBYIURAVKCGD-UHFFFAOYSA-N -1 0 329.356 2.610 20 30 EFEDRM C=CCn1c(C2CC=CC2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602933281 1096401992 /nfs/dbraw/zinc/40/19/92/1096401992.db2.gz XLYLPXYBKQCORL-UHFFFAOYSA-N -1 0 330.432 2.979 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602930103 1096402180 /nfs/dbraw/zinc/40/21/80/1096402180.db2.gz LVHWQEVZLBBEFO-UKRRQHHQSA-N -1 0 326.400 2.596 20 30 EFEDRM C=CCn1c([C@@H](C)SC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602931019 1096402271 /nfs/dbraw/zinc/40/22/71/1096402271.db2.gz JAGGMBIDMSZCNF-GFCCVEGCSA-N -1 0 338.477 2.969 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001602930706 1096402360 /nfs/dbraw/zinc/40/23/60/1096402360.db2.gz AXBODOVQGLLHRM-SNVBAGLBSA-N -1 0 328.363 2.729 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001602930326 1096402396 /nfs/dbraw/zinc/40/23/96/1096402396.db2.gz RCOUHYMXBOYNJY-UHFFFAOYSA-N -1 0 349.394 2.720 20 30 EFEDRM C=CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602935358 1096403791 /nfs/dbraw/zinc/40/37/91/1096403791.db2.gz IGAWDHYBNDBRAW-MRXNPFEDSA-N -1 0 340.427 2.550 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001602942112 1096403925 /nfs/dbraw/zinc/40/39/25/1096403925.db2.gz QSTXIVMMUQJBIR-YDEJPDAXSA-N -1 0 328.723 2.739 20 30 EFEDRM C=CCn1c(S[C@@H](C=C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001602937065 1096404074 /nfs/dbraw/zinc/40/40/74/1096404074.db2.gz NHCCLCWMTKJYQI-ZDUSSCGKSA-N -1 0 331.397 2.871 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C3CC3)cc21 ZINC001602940989 1096404325 /nfs/dbraw/zinc/40/43/25/1096404325.db2.gz WFVSLJICHYVTSU-SFHVURJKSA-N -1 0 342.399 2.987 20 30 EFEDRM CC#CCN(C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602947226 1096404891 /nfs/dbraw/zinc/40/48/91/1096404891.db2.gz SJXKZACEJPFYAA-UHFFFAOYSA-N -1 0 343.408 2.673 20 30 EFEDRM CC#CCCn1c(Br)nc(C(=O)[O-])c1Br ZINC001602947080 1096404974 /nfs/dbraw/zinc/40/49/74/1096404974.db2.gz LEVLQQJFFYEVBA-UHFFFAOYSA-N -1 0 335.983 2.520 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(C2CCCC2)cc1 ZINC001602995853 1096417868 /nfs/dbraw/zinc/41/78/68/1096417868.db2.gz VZEAYTMBYFECGB-HNNXBMFYSA-N -1 0 344.436 2.791 20 30 EFEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cccc(-n2cnnn2)c1 ZINC001602992373 1096418055 /nfs/dbraw/zinc/41/80/55/1096418055.db2.gz VTYVXHBZOHPQCK-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)c2coc(C#N)c2)cc1C(=O)[O-] ZINC001603061292 1096427785 /nfs/dbraw/zinc/42/77/85/1096427785.db2.gz KSYHNVNFXRMOGY-UHFFFAOYSA-N -1 0 347.714 2.714 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001603131770 1096454408 /nfs/dbraw/zinc/45/44/08/1096454408.db2.gz KFYCXTWVKSAZAH-JTQLQIEISA-N -1 0 329.312 2.590 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001603131882 1096454604 /nfs/dbraw/zinc/45/46/04/1096454604.db2.gz NSELOBBYHCADPH-SNVBAGLBSA-N -1 0 326.312 2.715 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603129984 1096454658 /nfs/dbraw/zinc/45/46/58/1096454658.db2.gz PYSQGSJJPKZUPE-BXKDBHETSA-N -1 0 343.305 2.789 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001603132278 1096454770 /nfs/dbraw/zinc/45/47/70/1096454770.db2.gz WDEULQNJVBMJTQ-MXMFLMJRSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603129992 1096454843 /nfs/dbraw/zinc/45/48/43/1096454843.db2.gz PYSQGSJJPKZUPE-SKDRFNHKSA-N -1 0 343.305 2.789 20 30 EFEDRM C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001603132360 1096455012 /nfs/dbraw/zinc/45/50/12/1096455012.db2.gz XYADFZJAOKEGAY-NSHDSACASA-N -1 0 344.392 2.603 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001603131923 1096455060 /nfs/dbraw/zinc/45/50/60/1096455060.db2.gz OTAHMZUODUWEBF-BXUZGUMPSA-N -1 0 333.388 2.988 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001603131893 1096455387 /nfs/dbraw/zinc/45/53/87/1096455387.db2.gz NZZDRPQGAKJRKT-WCQYABFASA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001603180395 1096467770 /nfs/dbraw/zinc/46/77/70/1096467770.db2.gz GEICKQSSGOITQT-CYBMUJFWSA-N -1 0 349.390 2.642 20 30 EFEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC001603205618 1096473282 /nfs/dbraw/zinc/47/32/82/1096473282.db2.gz LUCYSJIDZATJAX-CYBMUJFWSA-N -1 0 338.363 2.958 20 30 EFEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1 ZINC001603209614 1096474447 /nfs/dbraw/zinc/47/44/47/1096474447.db2.gz TWWSIPDBEJUKPO-BBRMVZONSA-N -1 0 330.384 2.569 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC001603230300 1096478844 /nfs/dbraw/zinc/47/88/44/1096478844.db2.gz IRRAIJAQEDPOHN-UHFFFAOYSA-N -1 0 332.425 2.568 20 30 EFEDRM CC(C)(C#N)CNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603230223 1096479741 /nfs/dbraw/zinc/47/97/41/1096479741.db2.gz HFJGZMYHNMXYCX-NSHDSACASA-N -1 0 343.305 2.837 20 30 EFEDRM CC(C)(C(=O)NCc1ccccc1CC(=O)[O-])c1ccc(C#N)cc1 ZINC001603237954 1096481190 /nfs/dbraw/zinc/48/11/90/1096481190.db2.gz IJZOLXZJKXLUQD-UHFFFAOYSA-N -1 0 336.391 2.779 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC001603253863 1096487150 /nfs/dbraw/zinc/48/71/50/1096487150.db2.gz ZNWALMGPQUTJNA-AWEZNQCLSA-N -1 0 335.448 2.993 20 30 EFEDRM CC(C)C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001603264311 1096488367 /nfs/dbraw/zinc/48/83/67/1096488367.db2.gz BUTCSZMPRKCTKO-ZDUSSCGKSA-N -1 0 334.387 2.728 20 30 EFEDRM CC(C)(C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(O)cc1 ZINC001603293484 1096497622 /nfs/dbraw/zinc/49/76/22/1096497622.db2.gz JFOBINPJQDUSPI-MRXNPFEDSA-N -1 0 339.347 2.911 20 30 EFEDRM CC(C)(C)C1CCC(C#N)(NC(=O)CCSCC(=O)[O-])CC1 ZINC001603314966 1096502756 /nfs/dbraw/zinc/50/27/56/1096502756.db2.gz BMSVUWHDBCDPHW-UHFFFAOYSA-N -1 0 326.462 2.809 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccccc1C(=O)[O-] ZINC001603366825 1096514451 /nfs/dbraw/zinc/51/44/51/1096514451.db2.gz SQQSLUJMNLZDSO-GOSISDBHSA-N -1 0 347.367 2.690 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2csc(C3CC3)n2)o1 ZINC001603407380 1096521691 /nfs/dbraw/zinc/52/16/91/1096521691.db2.gz VUZSHMCUYNSADQ-UHFFFAOYSA-N -1 0 344.404 2.758 20 30 EFEDRM CC(C)(C)OCc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)no1 ZINC001603513561 1096542607 /nfs/dbraw/zinc/54/26/07/1096542607.db2.gz ROLIBNBZINFGMF-MRXNPFEDSA-N -1 0 343.383 2.777 20 30 EFEDRM CC(C)(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n[nH]1 ZINC001603532911 1096544972 /nfs/dbraw/zinc/54/49/72/1096544972.db2.gz ASZCTRYWJQVFPJ-CQSZACIVSA-N -1 0 327.340 2.562 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)c1C#N ZINC001603551207 1096549534 /nfs/dbraw/zinc/54/95/34/1096549534.db2.gz XQZFBUSNRBCTMC-OAHLLOKOSA-N -1 0 339.392 2.948 20 30 EFEDRM CC(C)(CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1=CCCCC1 ZINC001603627449 1096571905 /nfs/dbraw/zinc/57/19/05/1096571905.db2.gz PWWMOUBZWJUXRM-UHFFFAOYSA-N -1 0 333.432 2.913 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccoc1C(=O)[O-] ZINC001603743298 1096610665 /nfs/dbraw/zinc/61/06/65/1096610665.db2.gz ICQAPVCNHLZNJH-HNNXBMFYSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001603744450 1096610732 /nfs/dbraw/zinc/61/07/32/1096610732.db2.gz RPFAUDYQVBBBQS-CRFBAAHOSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603770001 1096621042 /nfs/dbraw/zinc/62/10/42/1096621042.db2.gz SXOPXXORADNIIZ-CYBMUJFWSA-N -1 0 347.419 2.712 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-] ZINC001603776410 1096623967 /nfs/dbraw/zinc/62/39/67/1096623967.db2.gz ZLHZFZSCGKBYIO-SSDOTTSWSA-N -1 0 330.797 2.537 20 30 EFEDRM CC(C)Oc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001603950584 1096680194 /nfs/dbraw/zinc/68/01/94/1096680194.db2.gz NUVBNOVZVFRLTJ-UHFFFAOYSA-N -1 0 331.372 2.696 20 30 EFEDRM CC(C)Oc1cncc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c1 ZINC001603956941 1096683247 /nfs/dbraw/zinc/68/32/47/1096683247.db2.gz IWHDCQKEAUEPHT-UHFFFAOYSA-N -1 0 339.347 2.776 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3CCO[C@@H](CC(=O)[O-])C3)c2c1 ZINC001604004314 1096695238 /nfs/dbraw/zinc/69/52/38/1096695238.db2.gz MKMXVGHSQNCUGC-HNNXBMFYSA-N -1 0 339.395 2.910 20 30 EFEDRM CC(C)c1nc(NC(=O)C2(C#N)CCSCC2)sc1C(=O)[O-] ZINC001604016920 1096700132 /nfs/dbraw/zinc/70/01/32/1096700132.db2.gz QIBDURRGDMBDPM-UHFFFAOYSA-N -1 0 339.442 2.940 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccc(Br)cc1C#N ZINC001604113499 1096742536 /nfs/dbraw/zinc/74/25/36/1096742536.db2.gz YGIHGRBIRQGPQS-VIFPVBQESA-N -1 0 340.173 2.865 20 30 EFEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1ncc(Br)cn1 ZINC001604123946 1096745021 /nfs/dbraw/zinc/74/50/21/1096745021.db2.gz PLTYXCXYFQDIEC-UHFFFAOYSA-N -1 0 329.198 2.918 20 30 EFEDRM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(=O)[O-])nc1C#N ZINC001604131201 1096746046 /nfs/dbraw/zinc/74/60/46/1096746046.db2.gz GIICRHCYFVMKCV-HWPZZCPQSA-N -1 0 329.331 2.715 20 30 EFEDRM CCCCC1CCC(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001604170150 1096760049 /nfs/dbraw/zinc/76/00/49/1096760049.db2.gz QFXRECBROGVKOR-UHFFFAOYSA-N -1 0 340.435 2.937 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001604177644 1096763354 /nfs/dbraw/zinc/76/33/54/1096763354.db2.gz URFIXAUYEXDJDM-UHFFFAOYSA-N -1 0 344.411 2.568 20 30 EFEDRM C[C@@](CNC(=O)Nc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001604179340 1096763556 /nfs/dbraw/zinc/76/35/56/1096763556.db2.gz WHYYHKBMPOVTNB-SFHVURJKSA-N -1 0 341.342 2.861 20 30 EFEDRM C[C@H](NC(=O)c1ccccc1CC#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604314895 1096803358 /nfs/dbraw/zinc/80/33/58/1096803358.db2.gz QGWOTSCJLNRUJE-ZDUSSCGKSA-N -1 0 338.363 2.707 20 30 EFEDRM C[C@@H](NC(=O)c1ccccc1CC#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604314894 1096803729 /nfs/dbraw/zinc/80/37/29/1096803729.db2.gz QGWOTSCJLNRUJE-CYBMUJFWSA-N -1 0 338.363 2.707 20 30 EFEDRM C[C@@H](NC(=O)c1sccc1CC#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604320305 1096807973 /nfs/dbraw/zinc/80/79/73/1096807973.db2.gz XKHOQAPPIGNSJS-LLVKDONJSA-N -1 0 344.392 2.769 20 30 EFEDRM C[C@H](OC(=O)CCCn1ccc(C(=O)[O-])n1)c1cccc(C#N)c1 ZINC001604398236 1096837345 /nfs/dbraw/zinc/83/73/45/1096837345.db2.gz PRCGVBKLZXWIQX-LBPRGKRZSA-N -1 0 327.340 2.538 20 30 EFEDRM CC1(C)CCCc2c(N3CCC(C#N)(C(=O)[O-])CC3)nc(Cl)nc21 ZINC001604536362 1096897962 /nfs/dbraw/zinc/89/79/62/1096897962.db2.gz XWIAQLCDPQARJF-UHFFFAOYSA-N -1 0 348.834 2.939 20 30 EFEDRM CC1CCC(C)(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604692753 1096932389 /nfs/dbraw/zinc/93/23/89/1096932389.db2.gz ATDGMHFPOUHKMP-UHFFFAOYSA-N -1 0 336.413 2.504 20 30 EFEDRM C[C@@H]1CC[C@@](NC(=O)c2ccc(C#N)n2C)(C(=O)[O-])c2ccccc21 ZINC001604702357 1096934976 /nfs/dbraw/zinc/93/49/76/1096934976.db2.gz BAWVBWZHDNYSSL-BLVKFPJESA-N -1 0 337.379 2.504 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001604723885 1096941047 /nfs/dbraw/zinc/94/10/47/1096941047.db2.gz FLXXWABKDSLKJX-CJNGLKHVSA-N -1 0 332.400 2.772 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@@H]1C ZINC001604767322 1096951597 /nfs/dbraw/zinc/95/15/97/1096951597.db2.gz SXLGHEXCWBKYBL-IQIPOGNMSA-N -1 0 348.424 2.876 20 30 EFEDRM C[C@H]1c2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)sc2CC[C@@H]1C ZINC001604767324 1096951996 /nfs/dbraw/zinc/95/19/96/1096951996.db2.gz SXLGHEXCWBKYBL-SPFNVWMYSA-N -1 0 348.424 2.876 20 30 EFEDRM CCC(=O)c1cccc(C#N)c1OCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001604865508 1096972111 /nfs/dbraw/zinc/97/21/11/1096972111.db2.gz XBBFGLKVBWMDLN-UHFFFAOYSA-N -1 0 340.335 2.747 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604865242 1096972258 /nfs/dbraw/zinc/97/22/58/1096972258.db2.gz RCDZZJHVWBWWAV-NSHDSACASA-N -1 0 335.429 2.877 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604865328 1096972592 /nfs/dbraw/zinc/97/25/92/1096972592.db2.gz WTPRIVLHJMAESU-XLKFXECMSA-N -1 0 329.183 2.959 20 30 EFEDRM CC[C@](NC(=O)c1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605085906 1097019729 /nfs/dbraw/zinc/01/97/29/1097019729.db2.gz OXFMCIMKKWQALX-GOSISDBHSA-N -1 0 326.327 2.817 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2csc(C#N)c2)NC(=O)N1CC1CC1 ZINC001605150001 1097035316 /nfs/dbraw/zinc/03/53/16/1097035316.db2.gz HAZXVPFVLCOSOZ-CQSZACIVSA-N -1 0 331.397 2.845 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2csc(C#N)c2)NC(=O)N1CC1CC1 ZINC001605150000 1097035606 /nfs/dbraw/zinc/03/56/06/1097035606.db2.gz HAZXVPFVLCOSOZ-AWEZNQCLSA-N -1 0 331.397 2.845 20 30 EFEDRM CC/C=C/[C@@H](OC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605185209 1097046967 /nfs/dbraw/zinc/04/69/67/1097046967.db2.gz ZDJXWBJWLVLVSE-KZJSRBBCSA-N -1 0 339.351 2.629 20 30 EFEDRM CCCC[C@@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001605247302 1097068083 /nfs/dbraw/zinc/06/80/83/1097068083.db2.gz GZMNUPRKYSVRMP-CZUORRHYSA-N -1 0 348.374 2.710 20 30 EFEDRM CCCCc1ccc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001605291910 1097083837 /nfs/dbraw/zinc/08/38/37/1097083837.db2.gz SGTXRNSPQFHUKB-UHFFFAOYSA-N -1 0 328.412 2.789 20 30 EFEDRM COc1ccc2cc(CN=Nc3oc(C)nc3-c3nnn[n-]3)ccc2c1 ZINC001605311657 1097092158 /nfs/dbraw/zinc/09/21/58/1097092158.db2.gz NPQKVXSNNRFFJV-UHFFFAOYSA-N -1 0 349.354 2.771 20 30 EFEDRM CCCc1c(Nc2cncc(C(=O)[O-])n2)cnn1-c1cccc(C#N)c1 ZINC001605369523 1097106062 /nfs/dbraw/zinc/10/60/62/1097106062.db2.gz BJHPEMJDBVQEFP-UHFFFAOYSA-N -1 0 348.366 2.928 20 30 EFEDRM CCCc1c(Nc2cc(C(=O)[O-])ncn2)cnn1-c1cccc(C#N)c1 ZINC001605370226 1097107443 /nfs/dbraw/zinc/10/74/43/1097107443.db2.gz GJMBRHYHTQKXGC-UHFFFAOYSA-N -1 0 348.366 2.928 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001605677718 1097191714 /nfs/dbraw/zinc/19/17/14/1097191714.db2.gz IEXOYZZUTVJNQP-GTNSWQLSSA-N -1 0 331.372 2.531 20 30 EFEDRM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1 ZINC001605834131 1097244337 /nfs/dbraw/zinc/24/43/37/1097244337.db2.gz IOSASDQNBQXFGK-UHFFFAOYSA-N -1 0 325.376 2.907 20 30 EFEDRM CCn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001605911309 1097272875 /nfs/dbraw/zinc/27/28/75/1097272875.db2.gz JSTJTJIKNOJIPY-CQSZACIVSA-N -1 0 347.463 2.961 20 30 EFEDRM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC001605938516 1097281474 /nfs/dbraw/zinc/28/14/74/1097281474.db2.gz RUSFLEKWSUZTHZ-ZDUSSCGKSA-N -1 0 346.394 2.864 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCc1ccc2ccccc2c1 ZINC001606018516 1097300417 /nfs/dbraw/zinc/30/04/17/1097300417.db2.gz XXCPXYQRVZRLKS-UHFFFAOYSA-N -1 0 329.367 2.639 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001606043223 1097305730 /nfs/dbraw/zinc/30/57/30/1097305730.db2.gz AFQJSGXOWVDDGQ-OAHLLOKOSA-N -1 0 343.427 2.587 20 30 EFEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606096355 1097318995 /nfs/dbraw/zinc/31/89/95/1097318995.db2.gz WWEDDLQFZPCTOH-CYBMUJFWSA-N -1 0 345.380 2.515 20 30 EFEDRM Cc1cccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1C#N ZINC001167935899 1097348988 /nfs/dbraw/zinc/34/89/88/1097348988.db2.gz FIAAFFBRQAHKCF-UHFFFAOYSA-N -1 0 328.308 2.951 20 30 EFEDRM C=CCC1(C(=O)N[C@@H](C)CCNC(=O)c2ccccc2O)CCC1 ZINC001075670797 1097371717 /nfs/dbraw/zinc/37/17/17/1097371717.db2.gz MCEWJMSJVSTLKT-AWEZNQCLSA-N -1 0 330.428 2.763 20 30 EFEDRM N#CC(=C([O-])c1sccc1-c1nn[nH]n1)c1nccc2ccccc21 ZINC001606336785 1097386363 /nfs/dbraw/zinc/38/63/63/1097386363.db2.gz LVDZOFHLTORBPE-ZDUSSCGKSA-N -1 0 346.375 2.966 20 30 EFEDRM COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(CC#N)CCC(=O)[O-] ZINC001606342253 1097388595 /nfs/dbraw/zinc/38/85/95/1097388595.db2.gz QEDVBILNCGTRNF-CYBMUJFWSA-N -1 0 345.182 2.508 20 30 EFEDRM N#Cc1ncc(NCCCCCCc2ccccc2)nc1-c1nnn[n-]1 ZINC001606398372 1097397802 /nfs/dbraw/zinc/39/78/02/1097397802.db2.gz YWXBIHPVHVOXCA-UHFFFAOYSA-N -1 0 348.414 2.743 20 30 EFEDRM N#Cc1ncc(Oc2ccc(C3CC3)cc2Cl)nc1-c1nnn[n-]1 ZINC001606398305 1097398245 /nfs/dbraw/zinc/39/82/45/1097398245.db2.gz VUJSCVCSZVUDRG-UHFFFAOYSA-N -1 0 339.746 2.851 20 30 EFEDRM COC(=O)c1cc(OC(=O)[C@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1 ZINC001606563487 1097419620 /nfs/dbraw/zinc/41/96/20/1097419620.db2.gz LXKVISXFAVOSHS-GOSISDBHSA-N -1 0 343.335 2.551 20 30 EFEDRM COCc1nc(C)c(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)s1 ZINC001606973201 1097485645 /nfs/dbraw/zinc/48/56/45/1097485645.db2.gz HOQBZHHAKLPQET-UHFFFAOYSA-N -1 0 345.376 2.505 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001607065316 1097503968 /nfs/dbraw/zinc/50/39/68/1097503968.db2.gz MGSAGMSLJCGYOL-MRXNPFEDSA-N -1 0 338.363 2.903 20 30 EFEDRM COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC001607073358 1097505259 /nfs/dbraw/zinc/50/52/59/1097505259.db2.gz DUTVYZNHETYLBF-PXAZEXFGSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC001607121559 1097523624 /nfs/dbraw/zinc/52/36/24/1097523624.db2.gz RDPQYWXWUOQGFK-UHFFFAOYSA-N -1 0 341.323 2.828 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001607152957 1097544174 /nfs/dbraw/zinc/54/41/74/1097544174.db2.gz FGWNERYMNJXYJR-PLNGDYQASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)ccc1OCC#N ZINC001607153641 1097545308 /nfs/dbraw/zinc/54/53/08/1097545308.db2.gz SXAGVYUPCWDMPL-RQOWECAXSA-N -1 0 327.292 2.785 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])c([N+](=O)[O-])cc1O ZINC001607153294 1097545552 /nfs/dbraw/zinc/54/55/52/1097545552.db2.gz LZBOWTZGECMNOA-UHFFFAOYSA-N -1 0 349.274 2.592 20 30 EFEDRM COc1cc(CN(CC#Cc2ccccc2)CC(=O)[O-])cc(OC)c1 ZINC001607156349 1097546597 /nfs/dbraw/zinc/54/65/97/1097546597.db2.gz FARFLSABPJKVAM-UHFFFAOYSA-N -1 0 339.391 2.642 20 30 EFEDRM COc1cc(CN2CC(C)(C#N)C2)c(Br)cc1C(=O)[O-] ZINC001607157149 1097546683 /nfs/dbraw/zinc/54/66/83/1097546683.db2.gz HYZFDKRXXMQVAL-UHFFFAOYSA-N -1 0 339.189 2.501 20 30 EFEDRM COc1cc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1C(=O)[O-] ZINC001607160154 1097547857 /nfs/dbraw/zinc/54/78/57/1097547857.db2.gz KMBTWTPZCBGRST-JSORRYRYSA-N -1 0 342.395 2.730 20 30 EFEDRM COc1cc(NCCOc2ccc(C#N)cc2)c(C(=O)[O-])cc1OC ZINC001607181241 1097554071 /nfs/dbraw/zinc/55/40/71/1097554071.db2.gz PRVGBXQPZJYXFR-UHFFFAOYSA-N -1 0 342.351 2.765 20 30 EFEDRM COc1cc(OC(=O)c2ccc(C#N)c(Cl)n2)ccc1C(=O)[O-] ZINC001607182243 1097554101 /nfs/dbraw/zinc/55/41/01/1097554101.db2.gz UMZNBKWHIJAIRI-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM COc1cc(OC)cc([C@@H](Sc2ccncc2C#N)C(=O)[O-])c1 ZINC001607184889 1097554912 /nfs/dbraw/zinc/55/49/12/1097554912.db2.gz KMVPHVPAHXNDKK-OAHLLOKOSA-N -1 0 330.365 2.888 20 30 EFEDRM COc1cccc(F)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001607323572 1097600415 /nfs/dbraw/zinc/60/04/15/1097600415.db2.gz QQROIUYIGUVCLU-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@H]1CC(=O)[O-] ZINC001607432292 1097628221 /nfs/dbraw/zinc/62/82/21/1097628221.db2.gz RESYUXKQRMDLBM-VMGRFDJRSA-N -1 0 341.411 2.688 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001607483939 1097638082 /nfs/dbraw/zinc/63/80/82/1097638082.db2.gz BEARDZZYDWVBJA-UHFFFAOYSA-N -1 0 348.156 2.908 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001607504077 1097644883 /nfs/dbraw/zinc/64/48/83/1097644883.db2.gz BKFWAJNCMXRFKL-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2oc(CC(C)C)nc2C#N)n1C ZINC001607511474 1097647061 /nfs/dbraw/zinc/64/70/61/1097647061.db2.gz RZDOTQWOWUIEAD-UHFFFAOYSA-N -1 0 329.360 2.536 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2ncc(Br)cc2C#N)n1C ZINC001607517479 1097648725 /nfs/dbraw/zinc/64/87/25/1097648725.db2.gz CAEVQDFASQIEEJ-UHFFFAOYSA-N -1 0 349.188 2.673 20 30 EFEDRM Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)OCC(F)(F)F ZINC001607555212 1097660081 /nfs/dbraw/zinc/66/00/81/1097660081.db2.gz QDBKIMATZNZWBM-UHFFFAOYSA-N -1 0 338.712 2.676 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001607564640 1097661480 /nfs/dbraw/zinc/66/14/80/1097661480.db2.gz OPZAONPRMRTSRF-BQFCYCMXSA-N -1 0 340.423 2.819 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001607565222 1097662496 /nfs/dbraw/zinc/66/24/96/1097662496.db2.gz DLGLDCKWUXWWLE-UHFFFAOYSA-N -1 0 337.397 2.527 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cc1 ZINC001607566179 1097662514 /nfs/dbraw/zinc/66/25/14/1097662514.db2.gz MWWCRWVDGZUFBC-MRXNPFEDSA-N -1 0 336.347 2.958 20 30 EFEDRM Cc1[nH]c(C(=O)COC(=O)c2ccc(C#N)cc2C)c(C)c1C(=O)[O-] ZINC001607565217 1097662542 /nfs/dbraw/zinc/66/25/42/1097662542.db2.gz DGQPJWCEQZUTDM-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)N(c1cc(C#N)cc(C)n1)C1CC1 ZINC001607565798 1097662598 /nfs/dbraw/zinc/66/25/98/1097662598.db2.gz RQOREWFAJRIFMB-UHFFFAOYSA-N -1 0 325.324 2.671 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001607565971 1097662627 /nfs/dbraw/zinc/66/26/27/1097662627.db2.gz VEFQMDHZCQDJJI-MRXNPFEDSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC001607565569 1097662933 /nfs/dbraw/zinc/66/29/33/1097662933.db2.gz OBAVNABWTWZBAI-UHFFFAOYSA-N -1 0 345.376 2.782 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc(C)c1C#N ZINC001607580844 1097666202 /nfs/dbraw/zinc/66/62/02/1097666202.db2.gz XQYQALISYSCWIC-QGZVFWFLSA-N -1 0 336.391 2.991 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])ncc1C#N ZINC001607583525 1097666951 /nfs/dbraw/zinc/66/69/51/1097666951.db2.gz DRLKJCMCBBGBRH-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc(C#N)s3)nc2n1 ZINC001607588122 1097667725 /nfs/dbraw/zinc/66/77/25/1097667725.db2.gz YRRPJMAIUWCGBT-UHFFFAOYSA-N -1 0 344.377 2.883 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1nc(C)cc(C)c1C#N ZINC001607612469 1097676712 /nfs/dbraw/zinc/67/67/12/1097676712.db2.gz ALZDLIUDVYXHGP-UHFFFAOYSA-N -1 0 329.381 2.880 20 30 EFEDRM Cc1cc(CN2CCC(C#N)(c3ccccn3)CC2)oc1C(=O)[O-] ZINC001607638391 1097685327 /nfs/dbraw/zinc/68/53/27/1097685327.db2.gz PAORZXTURYTLEG-UHFFFAOYSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001607658998 1097692102 /nfs/dbraw/zinc/69/21/02/1097692102.db2.gz OYJWZQPDQRGZCB-UHFFFAOYSA-N -1 0 345.334 2.666 20 30 EFEDRM Cc1cc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607683671 1097697973 /nfs/dbraw/zinc/69/79/73/1097697973.db2.gz YFYWSAATDYGMKF-GOSISDBHSA-N -1 0 344.415 2.651 20 30 EFEDRM Cc1cc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c(C#N)cc1N(C)C ZINC001607684579 1097698089 /nfs/dbraw/zinc/69/80/89/1097698089.db2.gz OYNWIBNQXZCIAA-SFHVURJKSA-N -1 0 344.415 2.698 20 30 EFEDRM Cc1cc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ncc1C#N ZINC001607683623 1097698189 /nfs/dbraw/zinc/69/81/89/1097698189.db2.gz XWEXXYDQQDDWJL-CYBMUJFWSA-N -1 0 330.388 2.616 20 30 EFEDRM Cc1cc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)nn1CCC#N ZINC001607688238 1097699780 /nfs/dbraw/zinc/69/97/80/1097699780.db2.gz NWSDBVAOVLKTNM-UHFFFAOYSA-N -1 0 347.419 2.652 20 30 EFEDRM Cc1cc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c(C)c(C)c1C#N ZINC001607701054 1097703517 /nfs/dbraw/zinc/70/35/17/1097703517.db2.gz YDSHULYYMKRVGQ-UHFFFAOYSA-N -1 0 344.411 2.766 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001607724753 1097710227 /nfs/dbraw/zinc/71/02/27/1097710227.db2.gz DCESSWQKEDDSSZ-AEZGRPFRSA-N -1 0 344.392 2.766 20 30 EFEDRM Cc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1C(=O)[O-] ZINC001607729312 1097712053 /nfs/dbraw/zinc/71/20/53/1097712053.db2.gz ZHNTXPNPZUOCSQ-UHFFFAOYSA-N -1 0 335.363 2.501 20 30 EFEDRM Cc1ccc([C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C2CC2)cc1 ZINC001607759493 1097723429 /nfs/dbraw/zinc/72/34/29/1097723429.db2.gz WFRQMOXWPVURKG-MRXNPFEDSA-N -1 0 341.411 2.846 20 30 EFEDRM Cc1ccc([C@H]2COCCN2Cc2cccc(C(=O)[O-])c2C#N)o1 ZINC001607767869 1097726779 /nfs/dbraw/zinc/72/67/79/1097726779.db2.gz AXJUIMDHDDNIBD-MRXNPFEDSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1ccc(N2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)cc1C ZINC001607794298 1097735241 /nfs/dbraw/zinc/73/52/41/1097735241.db2.gz NGLFPGVECLLROX-UHFFFAOYSA-N -1 0 336.395 2.595 20 30 EFEDRM Cc1ccc(OC[C@@H](O)COc2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001607812815 1097740998 /nfs/dbraw/zinc/74/09/98/1097740998.db2.gz CVOBAPRGYMCZHB-HNNXBMFYSA-N -1 0 341.363 2.578 20 30 EFEDRM Cc1ccc(O[C@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc1 ZINC001607812501 1097741449 /nfs/dbraw/zinc/74/14/49/1097741449.db2.gz MCCHSYSKGIPFMP-WMZOPIPTSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc(OS(=O)(=O)Cc2csc(C#N)c2)c(C(=O)[O-])c1 ZINC001607816336 1097741709 /nfs/dbraw/zinc/74/17/09/1097741709.db2.gz RGCXOMQZORYADP-UHFFFAOYSA-N -1 0 337.378 2.535 20 30 EFEDRM Cc1nc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])ccc1C#N ZINC001607943585 1097783840 /nfs/dbraw/zinc/78/38/40/1097783840.db2.gz BMCICPUHHRPYIU-UHFFFAOYSA-N -1 0 337.379 2.767 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)ccc1C#N ZINC001607946544 1097784545 /nfs/dbraw/zinc/78/45/45/1097784545.db2.gz UIUPPWROLIWSRO-UHFFFAOYSA-N -1 0 339.351 2.758 20 30 EFEDRM Cc1nc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001607958063 1097788434 /nfs/dbraw/zinc/78/84/34/1097788434.db2.gz GPNGFEDIGGIQKT-SNVBAGLBSA-N -1 0 346.364 2.532 20 30 EFEDRM Cc1[nH]c(C(=O)CSc2nnc(C)c(C)c2C#N)c(C)c1C(=O)[O-] ZINC001608017392 1097805211 /nfs/dbraw/zinc/80/52/11/1097805211.db2.gz YMWSYLFKYIRIID-UHFFFAOYSA-N -1 0 344.396 2.583 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001608025018 1097809490 /nfs/dbraw/zinc/80/94/90/1097809490.db2.gz ORQPJXJISROYGX-OAHLLOKOSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001608031862 1097810240 /nfs/dbraw/zinc/81/02/40/1097810240.db2.gz RIEQWQRQTQDQIF-CZUORRHYSA-N -1 0 330.384 2.955 20 30 EFEDRM Cc1nsc(N(C)C(=O)CCc2ccccc2C(=O)[O-])c1C#N ZINC001608030261 1097810414 /nfs/dbraw/zinc/81/04/14/1097810414.db2.gz KXPKFUGBLUOLCL-UHFFFAOYSA-N -1 0 329.381 2.617 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CON=CC(=O)Nc1ccc(F)cc1F ZINC001608038710 1097813551 /nfs/dbraw/zinc/81/35/51/1097813551.db2.gz FIMLDNZELQNYND-UHFFFAOYSA-N -1 0 338.266 2.706 20 30 EFEDRM Cc1oc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc1C(=O)[O-] ZINC001608049317 1097817246 /nfs/dbraw/zinc/81/72/46/1097817246.db2.gz CRWOXTGQXCTSGD-GOSISDBHSA-N -1 0 339.395 2.669 20 30 EFEDRM Cc1oc(CNc2cc(C#N)c(Br)cn2)cc1C(=O)[O-] ZINC001608052019 1097818125 /nfs/dbraw/zinc/81/81/25/1097818125.db2.gz UPULMKAIMXAQEJ-UHFFFAOYSA-N -1 0 336.145 2.928 20 30 EFEDRM Cc1sc(C(=O)[O-])nc1-c1cn(CC2(C#N)CCCCC2)nn1 ZINC001608065508 1097823230 /nfs/dbraw/zinc/82/32/30/1097823230.db2.gz OLBDQJBMCVHZPR-UHFFFAOYSA-N -1 0 331.401 2.882 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)C#Cc2cccs2)nc1C(=O)[O-] ZINC001608067322 1097823448 /nfs/dbraw/zinc/82/34/48/1097823448.db2.gz SMQGLEYOFQODQO-LBPRGKRZSA-N -1 0 346.433 2.926 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001608068147 1097824176 /nfs/dbraw/zinc/82/41/76/1097824176.db2.gz NLNJLYRFEQSHLR-ZDUSSCGKSA-N -1 0 341.392 2.999 20 30 EFEDRM Cn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C1(C#N)CCCCC1 ZINC001608090897 1097831707 /nfs/dbraw/zinc/83/17/07/1097831707.db2.gz LCVHYPSIFGVDOH-UHFFFAOYSA-N -1 0 345.447 2.622 20 30 EFEDRM Cn1cnc2cc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)ccc21 ZINC001608135992 1097843180 /nfs/dbraw/zinc/84/31/80/1097843180.db2.gz DROIAJHHYCRXSD-UHFFFAOYSA-N -1 0 335.319 2.500 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001608169673 1097849215 /nfs/dbraw/zinc/84/92/15/1097849215.db2.gz ARZWXFIADWGHMR-OAHLLOKOSA-N -1 0 340.354 2.913 20 30 EFEDRM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001608169698 1097850026 /nfs/dbraw/zinc/85/00/26/1097850026.db2.gz BNEIYAFSVRJSFT-CYBMUJFWSA-N -1 0 347.330 2.827 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ccsc2Br)CC1 ZINC001608173773 1097850604 /nfs/dbraw/zinc/85/06/04/1097850604.db2.gz ARNAMRSUADMMEA-UHFFFAOYSA-N -1 0 329.219 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC001608171382 1097850676 /nfs/dbraw/zinc/85/06/76/1097850676.db2.gz LXSSVKSQLSRWHC-UHFFFAOYSA-N -1 0 326.805 2.551 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC001608172605 1097850955 /nfs/dbraw/zinc/85/09/55/1097850955.db2.gz KWLKNKGATJXMTR-UHFFFAOYSA-N -1 0 343.383 2.698 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(C(F)F)ccc2F)CC1 ZINC001608172718 1097851146 /nfs/dbraw/zinc/85/11/46/1097851146.db2.gz MSLSTYHLNJZMRZ-UHFFFAOYSA-N -1 0 326.274 2.594 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCCC1 ZINC001608176045 1097852092 /nfs/dbraw/zinc/85/20/92/1097852092.db2.gz TVPMBMNYFDTONH-UHFFFAOYSA-N -1 0 343.788 2.831 20 30 EFEDRM N#CC1(c2ccc(C(=O)NCCc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001608176754 1097852763 /nfs/dbraw/zinc/85/27/63/1097852763.db2.gz CJTRIVNJTFGQLV-UHFFFAOYSA-N -1 0 334.375 2.912 20 30 EFEDRM N#CC1(CC(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)CCCCC1 ZINC001608176381 1097853288 /nfs/dbraw/zinc/85/32/88/1097853288.db2.gz VQKDIUFODSINCH-HNNXBMFYSA-N -1 0 346.358 2.868 20 30 EFEDRM N#CC[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001608178111 1097853449 /nfs/dbraw/zinc/85/34/49/1097853449.db2.gz KDDTUJURYHJXJM-QGZVFWFLSA-N -1 0 334.375 2.967 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1nnc(-c2cccc3ccccc32)o1 ZINC001608186332 1097853829 /nfs/dbraw/zinc/85/38/29/1097853829.db2.gz KNZPKQHMMWMHLI-UHFFFAOYSA-N -1 0 336.351 2.690 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001608184477 1097854494 /nfs/dbraw/zinc/85/44/94/1097854494.db2.gz XRGDPVHUSHPECL-UHFFFAOYSA-N -1 0 341.150 2.719 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC001608189440 1097854833 /nfs/dbraw/zinc/85/48/33/1097854833.db2.gz SFRLOUOFZNTQET-CABCVRRESA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001608189355 1097854974 /nfs/dbraw/zinc/85/49/74/1097854974.db2.gz OFONWWRBNAKPJS-UHFFFAOYSA-N -1 0 343.408 2.798 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001608188989 1097855411 /nfs/dbraw/zinc/85/54/11/1097855411.db2.gz SZWMVFYBFLUMQH-KRWDZBQOSA-N -1 0 344.411 2.671 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001608188710 1097855590 /nfs/dbraw/zinc/85/55/90/1097855590.db2.gz JYPYCVQPDNCMTJ-UTCJRWHESA-N -1 0 330.271 2.671 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001608189131 1097855624 /nfs/dbraw/zinc/85/56/24/1097855624.db2.gz DAPCXMZFDSONJL-CYBMUJFWSA-N -1 0 332.356 2.899 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC001608190237 1097855822 /nfs/dbraw/zinc/85/58/22/1097855822.db2.gz ASDAJTOBUNOHJN-UHFFFAOYSA-N -1 0 326.264 2.522 20 30 EFEDRM N#CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001608189696 1097855894 /nfs/dbraw/zinc/85/58/94/1097855894.db2.gz HQNUZENLHZJHBE-KRWDZBQOSA-N -1 0 337.379 2.960 20 30 EFEDRM N#CCn1c(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC001608190120 1097855908 /nfs/dbraw/zinc/85/59/08/1097855908.db2.gz IPMRFMRUUSPOKY-CZUORRHYSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCn1c(C(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC001608190352 1097856094 /nfs/dbraw/zinc/85/60/94/1097856094.db2.gz PCGMHBPBXVEUSQ-KBPBESRZSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001608190800 1097856391 /nfs/dbraw/zinc/85/63/91/1097856391.db2.gz DGZZYGXZXTXWDS-UHFFFAOYSA-N -1 0 348.362 2.552 20 30 EFEDRM N#Cc1c(Cl)cccc1S[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001608192066 1097856481 /nfs/dbraw/zinc/85/64/81/1097856481.db2.gz HVSIDRAPMKANIY-CYBMUJFWSA-N -1 0 338.816 2.769 20 30 EFEDRM N#CCc1ccc(NC(=O)COc2cnc(Cl)cc2C(=O)[O-])cc1 ZINC001608189959 1097856744 /nfs/dbraw/zinc/85/67/44/1097856744.db2.gz WHUVOKDFYRTNBM-UHFFFAOYSA-N -1 0 345.742 2.517 20 30 EFEDRM N#CCc1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001608189661 1097856787 /nfs/dbraw/zinc/85/67/87/1097856787.db2.gz FVYKNTPMGBOARJ-AWEZNQCLSA-N -1 0 330.388 2.550 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001608192471 1097857200 /nfs/dbraw/zinc/85/72/00/1097857200.db2.gz PTKWATRXJQZLDM-ZDUSSCGKSA-N -1 0 348.280 2.574 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1F ZINC001608192094 1097857415 /nfs/dbraw/zinc/85/74/15/1097857415.db2.gz IYROMPVNNZDJAX-UHFFFAOYSA-N -1 0 344.317 2.784 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1F ZINC001608192485 1097857484 /nfs/dbraw/zinc/85/74/84/1097857484.db2.gz QQWWQHUUNCGFIB-GFCCVEGCSA-N -1 0 336.319 2.844 20 30 EFEDRM N#Cc1c(F)cccc1S[C@@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC001608194770 1097857707 /nfs/dbraw/zinc/85/77/07/1097857707.db2.gz WPNUTTBJYDEHJF-HNNXBMFYSA-N -1 0 344.367 2.673 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)ccn1 ZINC001608193979 1097857805 /nfs/dbraw/zinc/85/78/05/1097857805.db2.gz NLTDVCLIVFSUGE-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)co1 ZINC001608194195 1097857831 /nfs/dbraw/zinc/85/78/31/1097857831.db2.gz RULPBSFVYUJUFN-GFCCVEGCSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(C(=O)[O-])n2)n1 ZINC001608194701 1097857920 /nfs/dbraw/zinc/85/79/20/1097857920.db2.gz VCVMAXNXAGQINS-UHFFFAOYSA-N -1 0 337.314 2.588 20 30 EFEDRM N#Cc1cc(Cl)ccc1Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001608196919 1097858728 /nfs/dbraw/zinc/85/87/28/1097858728.db2.gz LQUCRWDIWMHRDD-UHFFFAOYSA-N -1 0 339.742 2.612 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001608198745 1097859464 /nfs/dbraw/zinc/85/94/64/1097859464.db2.gz YZULCIDTYJTMNF-HNNXBMFYSA-N -1 0 348.362 2.562 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC001608200314 1097859506 /nfs/dbraw/zinc/85/95/06/1097859506.db2.gz ZAFHLXOYQWGYSZ-RBUKOAKNSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1ccc(Br)nc1N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001608199230 1097859535 /nfs/dbraw/zinc/85/95/35/1097859535.db2.gz YIZDANYQUJPTBE-DBIOUOCHSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001608199168 1097859718 /nfs/dbraw/zinc/85/97/18/1097859718.db2.gz VTRUWNRZXWNTQX-UHFFFAOYSA-N -1 0 346.346 2.623 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1Cl ZINC001608198815 1097859957 /nfs/dbraw/zinc/85/99/57/1097859957.db2.gz CZGGWUANQCILAM-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)nc1Cl ZINC001608198863 1097860080 /nfs/dbraw/zinc/86/00/80/1097860080.db2.gz GQOOLVXHXUDGLQ-LBPRGKRZSA-N -1 0 341.754 2.510 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cn1 ZINC001608200165 1097860123 /nfs/dbraw/zinc/86/01/23/1097860123.db2.gz FOIQVBKODLAXQN-KDOFPFPSSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)nc1Cl ZINC001608199437 1097860197 /nfs/dbraw/zinc/86/01/97/1097860197.db2.gz HDOXPADAISNEEC-UHFFFAOYSA-N -1 0 345.742 2.712 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)nc1Cl ZINC001608200631 1097860415 /nfs/dbraw/zinc/86/04/15/1097860415.db2.gz MDOCJJWPMDXNBK-UHFFFAOYSA-N -1 0 337.669 2.835 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cn1 ZINC001608200655 1097860444 /nfs/dbraw/zinc/86/04/44/1097860444.db2.gz NYZIWGXOYBRKDX-AWEZNQCLSA-N -1 0 335.363 2.501 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001608201172 1097860679 /nfs/dbraw/zinc/86/06/79/1097860679.db2.gz ZNRBIDUAJAHQIL-UHFFFAOYSA-N -1 0 332.718 2.979 20 30 EFEDRM N#Cc1ccc([C@@H](O)COc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001608201612 1097860798 /nfs/dbraw/zinc/86/07/98/1097860798.db2.gz FJFXYUMINNDYAT-INIZCTEOSA-N -1 0 329.377 2.847 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])CCCC2)cc1 ZINC001608203220 1097861102 /nfs/dbraw/zinc/86/11/02/1097861102.db2.gz AGZRAUDQCNRKNL-MRXNPFEDSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCc3ccccc3O2)C(=O)[O-])cc1 ZINC001608202265 1097861251 /nfs/dbraw/zinc/86/12/51/1097861251.db2.gz NOEKRKIWGOOZQG-DLBZAZTESA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001608204710 1097862146 /nfs/dbraw/zinc/86/21/46/1097862146.db2.gz NUWRZACETDVDAO-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1ccc(CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C2CC2)cc1 ZINC001608204837 1097862165 /nfs/dbraw/zinc/86/21/65/1097862165.db2.gz QEHOOAIVYAVQAG-INIZCTEOSA-N -1 0 341.411 2.733 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001608204442 1097862384 /nfs/dbraw/zinc/86/23/84/1097862384.db2.gz GSOWBPVVCNUQDV-QGZVFWFLSA-N -1 0 334.331 2.682 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C[C@@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC001608203613 1097862398 /nfs/dbraw/zinc/86/23/98/1097862398.db2.gz REVDEBCCTASJOR-WMZOPIPTSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1ccc(F)c(CN2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001608206850 1097862761 /nfs/dbraw/zinc/86/27/61/1097862761.db2.gz OZCIGBLBNPVNOL-UHFFFAOYSA-N -1 0 329.331 2.763 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC001608206124 1097863264 /nfs/dbraw/zinc/86/32/64/1097863264.db2.gz BPCGSGDZFJNJOE-UHFFFAOYSA-N -1 0 331.328 2.661 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001608206453 1097863358 /nfs/dbraw/zinc/86/33/58/1097863358.db2.gz GNOBAVXRAJLKCX-UHFFFAOYSA-N -1 0 332.718 2.979 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(C(=O)[O-])ccn2)cc1Br ZINC001608208369 1097863825 /nfs/dbraw/zinc/86/38/25/1097863825.db2.gz SRNCNUCPHIAFOV-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1Cl ZINC001608208168 1097864100 /nfs/dbraw/zinc/86/41/00/1097864100.db2.gz HKABMEWKMQTNLA-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(NCC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001608209176 1097864118 /nfs/dbraw/zinc/86/41/18/1097864118.db2.gz ZGCRFWMSSDMKNP-UHFFFAOYSA-N -1 0 329.400 2.654 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC001608208527 1097864275 /nfs/dbraw/zinc/86/42/75/1097864275.db2.gz DHMBVRTWZICABZ-JOCQHMNTSA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)nc2c1 ZINC001608213482 1097864787 /nfs/dbraw/zinc/86/47/87/1097864787.db2.gz NFXMUOFJVKGLCQ-DJJJIMSYSA-N -1 0 346.346 2.632 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001608213488 1097865027 /nfs/dbraw/zinc/86/50/27/1097865027.db2.gz NMQKFDVARBJPSV-SFHVURJKSA-N -1 0 347.374 2.969 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)nc2c1 ZINC001608213484 1097865209 /nfs/dbraw/zinc/86/52/09/1097865209.db2.gz NFXMUOFJVKGLCQ-YJYMSZOUSA-N -1 0 346.346 2.632 20 30 EFEDRM N#Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C(=O)[O-] ZINC001608213933 1097865317 /nfs/dbraw/zinc/86/53/17/1097865317.db2.gz ANYCPXSILZIRAK-UHFFFAOYSA-N -1 0 335.363 2.648 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)c3c[nH]c(C(=O)[O-])c3)n2)c1 ZINC001608214262 1097865480 /nfs/dbraw/zinc/86/54/80/1097865480.db2.gz JFHSAWIHTCDDML-UHFFFAOYSA-N -1 0 338.348 2.960 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001608213588 1097865498 /nfs/dbraw/zinc/86/54/98/1097865498.db2.gz SUHHIODUOOQQDO-MRXNPFEDSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccsc3)C2)c1 ZINC001608215895 1097865787 /nfs/dbraw/zinc/86/57/87/1097865787.db2.gz TUEDTXSCOTXOJG-HZPDHXFCSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)OCc3cccc(C(=O)[O-])c3)n2)c1 ZINC001608215494 1097865850 /nfs/dbraw/zinc/86/58/50/1097865850.db2.gz TYHYYDMNLLXENM-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1 ZINC001608215442 1097866004 /nfs/dbraw/zinc/86/60/04/1097866004.db2.gz RRZVMONFLQPMKC-UHFFFAOYSA-N -1 0 338.319 2.670 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H](O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216440 1097866081 /nfs/dbraw/zinc/86/60/81/1097866081.db2.gz JWJGWMZCYVZXOZ-GJZGRUSLSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1cccc([C@H](N[C@H]2COc3cc(F)cc(F)c32)C(=O)[O-])c1 ZINC001608216110 1097866207 /nfs/dbraw/zinc/86/62/07/1097866207.db2.gz WGGZHFQWLRVPDA-BBRMVZONSA-N -1 0 330.290 2.685 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)/C=C/c2ccnc(Cl)c2)C(=O)[O-])c1 ZINC001608216456 1097866262 /nfs/dbraw/zinc/86/62/62/1097866262.db2.gz KCGBNJFSJLYYEY-APHBUQMISA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCOC(C3CC3)(C3CC3)C2)c1 ZINC001608215338 1097866606 /nfs/dbraw/zinc/86/66/06/1097866606.db2.gz JOZCHPDVWIETEE-KRWDZBQOSA-N -1 0 326.396 2.575 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc3c2CCOC3)C(=O)[O-])c1 ZINC001608216854 1097867285 /nfs/dbraw/zinc/86/72/85/1097867285.db2.gz YCNRNRAOEPWFHI-KRWDZBQOSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NC[C@@H](C(=O)[O-])C3CCCCC3)CC2)c1 ZINC001608216711 1097867381 /nfs/dbraw/zinc/86/73/81/1097867381.db2.gz RRUNGFOEXVNUBO-QGZVFWFLSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1cccc(CC(=O)OCc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001608217753 1097867520 /nfs/dbraw/zinc/86/75/20/1097867520.db2.gz RUJFNPKPZOIDBN-UHFFFAOYSA-N -1 0 331.274 2.821 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001608216853 1097867525 /nfs/dbraw/zinc/86/75/25/1097867525.db2.gz YCLYBQIBQQWEJS-UHFFFAOYSA-N -1 0 334.375 2.995 20 30 EFEDRM N#Cc1cccc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)c1 ZINC001608217836 1097867625 /nfs/dbraw/zinc/86/76/25/1097867625.db2.gz VSSAGWYEINFOSV-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001608216659 1097867684 /nfs/dbraw/zinc/86/76/84/1097867684.db2.gz PSBIMHBCAVJCQR-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1ccccc1OCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001608218952 1097868210 /nfs/dbraw/zinc/86/82/10/1097868210.db2.gz CFZARGURTDHNLW-MRXNPFEDSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001608219391 1097868314 /nfs/dbraw/zinc/86/83/14/1097868314.db2.gz TWEDKNCEWRCLOI-UHFFFAOYSA-N -1 0 343.364 2.608 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001608218512 1097868388 /nfs/dbraw/zinc/86/83/88/1097868388.db2.gz QBBGCFVAYQSOEG-HDMKZQKVSA-N -1 0 348.358 2.541 20 30 EFEDRM N#Cc1ccccc1OCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608219424 1097868391 /nfs/dbraw/zinc/86/83/91/1097868391.db2.gz VFOVGNJZDQKWGR-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001608220738 1097868446 /nfs/dbraw/zinc/86/84/46/1097868446.db2.gz IGHPMPCDULVNCR-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccnc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001608220728 1097868548 /nfs/dbraw/zinc/86/85/48/1097868548.db2.gz KWAOTKMVFACJSF-HNNXBMFYSA-N -1 0 335.363 2.501 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001608223521 1097869257 /nfs/dbraw/zinc/86/92/57/1097869257.db2.gz XORLEUBLCLVWKP-OAHLLOKOSA-N -1 0 327.771 2.791 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001608221395 1097869823 /nfs/dbraw/zinc/86/98/23/1097869823.db2.gz UPXMEGBAVZMALV-UHFFFAOYSA-N -1 0 344.317 2.707 20 30 EFEDRM NC(=NOCc1c(Cl)cccc1C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001608227625 1097870399 /nfs/dbraw/zinc/87/03/99/1097870399.db2.gz XHNSQDWVILLUIR-UHFFFAOYSA-N -1 0 346.770 2.810 20 30 EFEDRM N#Cc1csc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001608224036 1097870705 /nfs/dbraw/zinc/87/07/05/1097870705.db2.gz OJGBYMOXPJFHKM-CYBMUJFWSA-N -1 0 327.365 2.546 20 30 EFEDRM N#Cc1nc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)sc1Cl ZINC001608225213 1097870918 /nfs/dbraw/zinc/87/09/18/1097870918.db2.gz JSRMGHXQTNORAN-RITPCOANSA-N -1 0 339.726 2.758 20 30 EFEDRM N#Cc1csc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001608224037 1097870962 /nfs/dbraw/zinc/87/09/62/1097870962.db2.gz OJGBYMOXPJFHKM-ZDUSSCGKSA-N -1 0 327.365 2.546 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001608223862 1097871028 /nfs/dbraw/zinc/87/10/28/1097871028.db2.gz FZUYSRHUORBJFH-CQSZACIVSA-N -1 0 335.722 2.589 20 30 EFEDRM N#Cc1sccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001608225421 1097871121 /nfs/dbraw/zinc/87/11/21/1097871121.db2.gz WQEKBVVPSWWWPW-ZETCQYMHSA-N -1 0 333.394 2.518 20 30 EFEDRM O=C(C#Cc1ccccc1)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001608277984 1097879316 /nfs/dbraw/zinc/87/93/16/1097879316.db2.gz WSTUDKVXUPAOPR-UHFFFAOYSA-N -1 0 337.331 2.536 20 30 EFEDRM O=C([O-])[C@H]1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)c2ccccc21 ZINC001608283289 1097880101 /nfs/dbraw/zinc/88/01/01/1097880101.db2.gz AXVNCPVNHBJAIN-VSGCLNPGSA-N -1 0 339.322 2.623 20 30 EFEDRM O=C([O-])[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC001608284076 1097881659 /nfs/dbraw/zinc/88/16/59/1097881659.db2.gz HMBUAARFGUMBQS-CLOOOTJHSA-N -1 0 333.359 2.558 20 30 EFEDRM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC001608286897 1097882965 /nfs/dbraw/zinc/88/29/65/1097882965.db2.gz FBFCZTSERYRALU-DHZHZOJOSA-N -1 0 336.347 2.803 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)CON=C2CCOc3ccccc32)cc1 ZINC001608349462 1097899506 /nfs/dbraw/zinc/89/95/06/1097899506.db2.gz LJZMPENJKSMHFA-UHFFFAOYSA-N -1 0 340.335 2.527 20 30 EFEDRM O=C([O-])CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC001608742649 1098006670 /nfs/dbraw/zinc/00/66/70/1098006670.db2.gz VJWMNLOQXHCIAU-DHZHZOJOSA-N -1 0 333.359 2.654 20 30 EFEDRM O=C([O-])Cc1ccc(NN=Cc2nccn2CC(F)(F)F)cc1 ZINC001608780768 1098020448 /nfs/dbraw/zinc/02/04/48/1098020448.db2.gz VCGKFGXGBVSCQN-UHFFFAOYSA-N -1 0 326.278 2.519 20 30 EFEDRM O=C([O-])c1cc(C(=O)N2CCCSC2=Nc2ccccc2)no1 ZINC001608836127 1098038584 /nfs/dbraw/zinc/03/85/84/1098038584.db2.gz LQHIGDAUHGRQGQ-UHFFFAOYSA-N -1 0 331.353 2.640 20 30 EFEDRM O=C([O-])c1cc(CN=Nc2nncc3ccccc32)n2c1CCCC2 ZINC001608841459 1098040558 /nfs/dbraw/zinc/04/05/58/1098040558.db2.gz SLCYGRAYYDNPCW-UHFFFAOYSA-N -1 0 335.367 2.912 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)c1 ZINC001608985521 1098099290 /nfs/dbraw/zinc/09/92/90/1098099290.db2.gz FVWHWHKCWBRKPB-UTCJRWHESA-N -1 0 327.336 2.711 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001609057962 1098124426 /nfs/dbraw/zinc/12/44/26/1098124426.db2.gz LBCPDLXQMFZOGW-CHWSQXEVSA-N -1 0 342.317 2.945 20 30 EFEDRM C#C[C@@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC001609057886 1098124618 /nfs/dbraw/zinc/12/46/18/1098124618.db2.gz IQSFAGSYDYFDEF-AEFFLSMTSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001609057869 1098124716 /nfs/dbraw/zinc/12/47/16/1098124716.db2.gz IGEHNZLPWFASLK-SJORKVTESA-N -1 0 341.338 2.702 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC001609061148 1098125724 /nfs/dbraw/zinc/12/57/24/1098125724.db2.gz HLYLKJGKVDUMAO-NSHDSACASA-N -1 0 330.392 2.936 20 30 EFEDRM C#CCC(C)(C)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001609076668 1098133754 /nfs/dbraw/zinc/13/37/54/1098133754.db2.gz UAOGKTYADYGFOK-UHFFFAOYSA-N -1 0 327.336 2.642 20 30 EFEDRM C#CC[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001609078788 1098134427 /nfs/dbraw/zinc/13/44/27/1098134427.db2.gz ICFHRXQIYZNXFY-ZDUSSCGKSA-N -1 0 346.770 2.520 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001609159006 1098174024 /nfs/dbraw/zinc/17/40/24/1098174024.db2.gz QWGWVCCBDCIFOF-UHFFFAOYSA-N -1 0 336.391 2.772 20 30 EFEDRM C#CCOc1ccccc1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001609174786 1098182501 /nfs/dbraw/zinc/18/25/01/1098182501.db2.gz JVNUOPDHYSGUPI-UHFFFAOYSA-N -1 0 340.335 2.806 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC001609259500 1098228717 /nfs/dbraw/zinc/22/87/17/1098228717.db2.gz UPLRAVHFIQDFBS-XFXZXTDPSA-N -1 0 343.404 2.776 20 30 EFEDRM C=C[C@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001609287284 1098239049 /nfs/dbraw/zinc/23/90/49/1098239049.db2.gz KTBGSNDQMFFTMF-JTQLQIEISA-N -1 0 333.413 2.532 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001609290778 1098239823 /nfs/dbraw/zinc/23/98/23/1098239823.db2.gz XFNUUEKHGBDSDZ-QMMMGPOBSA-N -1 0 342.754 2.587 20 30 EFEDRM C=CCCCCNC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001609329344 1098250251 /nfs/dbraw/zinc/25/02/51/1098250251.db2.gz TYVRINQQYHDERL-UHFFFAOYSA-N -1 0 337.445 2.634 20 30 EFEDRM C=CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001609340861 1098255778 /nfs/dbraw/zinc/25/57/78/1098255778.db2.gz AUWJGQSWKCVCBD-UHFFFAOYSA-N -1 0 338.385 2.810 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C(C)C ZINC001609345989 1098258911 /nfs/dbraw/zinc/25/89/11/1098258911.db2.gz UVNWKLOGQWWSDH-UHFFFAOYSA-N -1 0 348.399 2.534 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001609443241 1098325681 /nfs/dbraw/zinc/32/56/81/1098325681.db2.gz WSFQYTVHKXKMTP-AWEZNQCLSA-N -1 0 346.408 2.504 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ccc(-c2ccccc2)cc1 ZINC001609445871 1098328702 /nfs/dbraw/zinc/32/87/02/1098328702.db2.gz YHSMMKZJZPCAPT-UHFFFAOYSA-N -1 0 341.378 2.959 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCC2CCC(C(F)(F)F)CC2)o1 ZINC001609445909 1098328762 /nfs/dbraw/zinc/32/87/62/1098328762.db2.gz AAMXMXYINCRYEA-UHFFFAOYSA-N -1 0 343.313 2.930 20 30 EFEDRM C=CCc1ccc(OCC(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC001609463842 1098335781 /nfs/dbraw/zinc/33/57/81/1098335781.db2.gz BPIWLMIXVMVQPM-CABCVRRESA-N -1 0 348.395 2.989 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001609460403 1098335876 /nfs/dbraw/zinc/33/58/76/1098335876.db2.gz TZZPPPQDOZNTAC-UHFFFAOYSA-N -1 0 340.335 2.527 20 30 EFEDRM C=CCSc1ccccc1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1 ZINC001609461887 1098336086 /nfs/dbraw/zinc/33/60/86/1098336086.db2.gz UFYCUFPDWCNYTJ-NSHDSACASA-N -1 0 347.396 2.559 20 30 EFEDRM C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001609464040 1098339187 /nfs/dbraw/zinc/33/91/87/1098339187.db2.gz IMEXXQCACMOWHA-UHFFFAOYSA-N -1 0 330.388 2.642 20 30 EFEDRM C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609470222 1098343833 /nfs/dbraw/zinc/34/38/33/1098343833.db2.gz KHRCWJFDANTLFT-GOSISDBHSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001609470103 1098344143 /nfs/dbraw/zinc/34/41/43/1098344143.db2.gz HBKGWWRCQUUSHD-UHFFFAOYSA-N -1 0 344.415 2.687 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001609631005 1098410127 /nfs/dbraw/zinc/41/01/27/1098410127.db2.gz MEOQKWHPHGJSRZ-LURJTMIESA-N -1 0 344.140 2.568 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC001609648569 1098415522 /nfs/dbraw/zinc/41/55/22/1098415522.db2.gz LUHPOXOELJWAKP-INIZCTEOSA-N -1 0 338.363 2.846 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC001609652699 1098416891 /nfs/dbraw/zinc/41/68/91/1098416891.db2.gz VCUVAVSZDZMFQL-INIZCTEOSA-N -1 0 333.413 2.918 20 30 EFEDRM CC(C)(C)CN(CCC#N)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001609657468 1098418402 /nfs/dbraw/zinc/41/84/02/1098418402.db2.gz YAYLBQNDFGTMRF-UHFFFAOYSA-N -1 0 329.400 2.560 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C#N ZINC001609669032 1098421244 /nfs/dbraw/zinc/42/12/44/1098421244.db2.gz HOHGCBYXHBBOHZ-NHAGDIPZSA-N -1 0 343.383 2.530 20 30 EFEDRM CC(C)(C)Oc1cc(N2CCC(C#N)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001609668825 1098421306 /nfs/dbraw/zinc/42/13/06/1098421306.db2.gz RWRMNAVHHZPAJP-UHFFFAOYSA-N -1 0 347.371 2.967 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1occc1C(=O)[O-] ZINC001609687183 1098427784 /nfs/dbraw/zinc/42/77/84/1098427784.db2.gz AFMDXULEWQJOMF-INIZCTEOSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001609687724 1098428082 /nfs/dbraw/zinc/42/80/82/1098428082.db2.gz SFZSRLAVZNVISD-CYBMUJFWSA-N -1 0 345.380 2.755 20 30 EFEDRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609695940 1098430189 /nfs/dbraw/zinc/43/01/89/1098430189.db2.gz MCCUUZSTDOWTMS-HUUCEWRRSA-N -1 0 335.448 2.991 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001609725912 1098438603 /nfs/dbraw/zinc/43/86/03/1098438603.db2.gz WSTORHPDRDTCTB-ZETCQYMHSA-N -1 0 326.150 2.571 20 30 EFEDRM C[C@@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001609767436 1098450815 /nfs/dbraw/zinc/45/08/15/1098450815.db2.gz FBNVQAIJPYYGQM-KRWDZBQOSA-N -1 0 330.290 2.566 20 30 EFEDRM C[C@](NC(=O)c1cccc(CC#N)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609773271 1098452461 /nfs/dbraw/zinc/45/24/61/1098452461.db2.gz SJHIHNVFMHAKGG-GOSISDBHSA-N -1 0 326.327 2.622 20 30 EFEDRM C[C@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC001609798857 1098460610 /nfs/dbraw/zinc/46/06/10/1098460610.db2.gz DUKLFKFNGPGTAT-VIFPVBQESA-N -1 0 344.348 2.502 20 30 EFEDRM CC[C@@](CNc1ncc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609920095 1098494171 /nfs/dbraw/zinc/49/41/71/1098494171.db2.gz IFANCGFMGSZARZ-KRWDZBQOSA-N -1 0 340.339 2.706 20 30 EFEDRM CC[C@](CNc1nccc(C#N)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609921872 1098494823 /nfs/dbraw/zinc/49/48/23/1098494823.db2.gz ZXCUKTHHYMWVKT-QGZVFWFLSA-N -1 0 340.339 2.706 20 30 EFEDRM CC[C@](NC(=O)c1c[nH]c(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609933229 1098498215 /nfs/dbraw/zinc/49/82/15/1098498215.db2.gz IXPPDFOTSSGBAF-MRXNPFEDSA-N -1 0 331.759 2.660 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Br)co1 ZINC000838787596 1098507538 /nfs/dbraw/zinc/50/75/38/1098507538.db2.gz PHCXKZRQFXYWDM-NSHDSACASA-N -1 0 339.189 2.813 20 30 EFEDRM CCCC[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001609966386 1098508635 /nfs/dbraw/zinc/50/86/35/1098508635.db2.gz DBALNWWQDCYPTL-GOEBONIOSA-N -1 0 332.400 2.721 20 30 EFEDRM CCCCCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001609969258 1098509706 /nfs/dbraw/zinc/50/97/06/1098509706.db2.gz XSUSFCCWYFCOLF-UHFFFAOYSA-N -1 0 348.447 2.574 20 30 EFEDRM CCN(CC(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001609992501 1098516435 /nfs/dbraw/zinc/51/64/35/1098516435.db2.gz ASMDWJKZSDDKDU-UHFFFAOYSA-N -1 0 338.363 2.826 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1nc(C)c(C#N)cc1Cl ZINC001610032952 1098525641 /nfs/dbraw/zinc/52/56/41/1098525641.db2.gz IHIQDKRZDOAWTE-NSHDSACASA-N -1 0 339.823 2.869 20 30 EFEDRM CCc1[nH]c(C(=O)N(CCC#N)Cc2cccnc2)c(C)c1C(=O)[O-] ZINC001610053055 1098532161 /nfs/dbraw/zinc/53/21/61/1098532161.db2.gz QEIJCMDALANXOI-UHFFFAOYSA-N -1 0 340.383 2.535 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001610060194 1098534427 /nfs/dbraw/zinc/53/44/27/1098534427.db2.gz HVSBTFNVSBSUOY-LLVKDONJSA-N -1 0 328.393 2.633 20 30 EFEDRM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)cc1O)CC2 ZINC001269951474 1098542230 /nfs/dbraw/zinc/54/22/30/1098542230.db2.gz KXHHXLWEJKASIK-UHFFFAOYSA-N -1 0 342.439 2.731 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC001610288431 1098604172 /nfs/dbraw/zinc/60/41/72/1098604172.db2.gz OXNGZMMKZSIWFO-LLVKDONJSA-N -1 0 341.319 2.638 20 30 EFEDRM COc1cc(CN(C)c2ccc(OCC(=O)[O-])cc2)ccc1C#N ZINC001610292982 1098605534 /nfs/dbraw/zinc/60/55/34/1098605534.db2.gz NYJQDQDJSWYVBA-UHFFFAOYSA-N -1 0 326.352 2.667 20 30 EFEDRM COc1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1C#N ZINC001610296642 1098607203 /nfs/dbraw/zinc/60/72/03/1098607203.db2.gz GZDVZGLWWAPPRO-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1cc(SC)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610308811 1098615130 /nfs/dbraw/zinc/61/51/30/1098615130.db2.gz ZOXWKGUFFWETIU-UHFFFAOYSA-N -1 0 349.412 2.639 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)c(C)c1OC ZINC001610311860 1098616271 /nfs/dbraw/zinc/61/62/71/1098616271.db2.gz LJOUKNWDJMSAMJ-ALCCZGGFSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cccc(C#N)c2)cc1 ZINC001610318882 1098618852 /nfs/dbraw/zinc/61/88/52/1098618852.db2.gz CEJSLRALMPSXJR-MRXNPFEDSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC001610334703 1098625878 /nfs/dbraw/zinc/62/58/78/1098625878.db2.gz GSKCJYYQRSPOEU-UHFFFAOYSA-N -1 0 339.351 2.781 20 30 EFEDRM COc1ccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C#N ZINC001610337027 1098627280 /nfs/dbraw/zinc/62/72/80/1098627280.db2.gz YMFKZVLGCCNDIR-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1ccc2c(c1)C(=NOCc1cc(C)c(C(=O)[O-])o1)CCO2 ZINC001610349430 1098631667 /nfs/dbraw/zinc/63/16/67/1098631667.db2.gz HBVKXKNMVCBHSO-UHFFFAOYSA-N -1 0 331.324 2.998 20 30 EFEDRM CSCCc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001610382440 1098647405 /nfs/dbraw/zinc/64/74/05/1098647405.db2.gz WMANILUZSHQRLM-UHFFFAOYSA-N -1 0 347.440 2.814 20 30 EFEDRM CSCc1cccnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610385103 1098648892 /nfs/dbraw/zinc/64/88/92/1098648892.db2.gz CTXSBPUIKCCBDV-UHFFFAOYSA-N -1 0 342.376 2.871 20 30 EFEDRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(CC#N)CC(=O)[O-] ZINC001610395464 1098653068 /nfs/dbraw/zinc/65/30/68/1098653068.db2.gz AQSWSQDOAYNTIQ-AWEZNQCLSA-N -1 0 338.363 2.558 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001610397501 1098654005 /nfs/dbraw/zinc/65/40/05/1098654005.db2.gz SMIPZKTWARTAAL-CQSZACIVSA-N -1 0 348.399 2.641 20 30 EFEDRM Cc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1C1CCCCC1 ZINC001610405763 1098659783 /nfs/dbraw/zinc/65/97/83/1098659783.db2.gz SXMQUYBDRIKTNV-UHFFFAOYSA-N -1 0 344.415 2.527 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2nc(-c3ccccc3)no2)n1C ZINC001610407746 1098660987 /nfs/dbraw/zinc/66/09/87/1098660987.db2.gz SIPWEOQSABMADF-UHFFFAOYSA-N -1 0 325.328 2.528 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001610407436 1098661058 /nfs/dbraw/zinc/66/10/58/1098661058.db2.gz YPECUJYWLGWFER-VIFPVBQESA-N -1 0 330.369 2.904 20 30 EFEDRM Cc1c(Cl)cnc(NCc2cccc(OCC(=O)[O-])c2)c1C#N ZINC001610415156 1098665529 /nfs/dbraw/zinc/66/55/29/1098665529.db2.gz FSJQKCBPOPIRJJ-UHFFFAOYSA-N -1 0 331.759 2.991 20 30 EFEDRM Cc1c(NCC(=O)Nc2cccc(C#N)c2)ccc(F)c1C(=O)[O-] ZINC001610427151 1098672358 /nfs/dbraw/zinc/67/23/58/1098672358.db2.gz UZJDLXLEBCKRJC-UHFFFAOYSA-N -1 0 327.315 2.755 20 30 EFEDRM Cc1cc(C#N)cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC001610432631 1098673670 /nfs/dbraw/zinc/67/36/70/1098673670.db2.gz KOCDMAWSOBWGHX-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2ccccc2OCC#N)C(=O)[O-])ccc1F ZINC001610447454 1098683760 /nfs/dbraw/zinc/68/37/60/1098683760.db2.gz NRSMRKBBRKJLAB-MRXNPFEDSA-N -1 0 342.326 2.592 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC001610449689 1098684027 /nfs/dbraw/zinc/68/40/27/1098684027.db2.gz KTLABRJEVSBRLU-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1cc2c(c(C)c1)NC(=O)C2=NNc1cccc(F)c1C(=O)[O-] ZINC001610452407 1098685704 /nfs/dbraw/zinc/68/57/04/1098685704.db2.gz HVHKDUDYILOGCR-UHFFFAOYSA-N -1 0 327.315 2.909 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Nc1ccn(CCC#N)n1 ZINC001610453083 1098686772 /nfs/dbraw/zinc/68/67/72/1098686772.db2.gz WAMFQFCZAPRTHC-UHFFFAOYSA-N -1 0 327.344 2.756 20 30 EFEDRM Cc1cc(CNc2cc(CC#N)ccn2)cc(C)c1OCC(=O)[O-] ZINC001610459462 1098690896 /nfs/dbraw/zinc/69/08/96/1098690896.db2.gz IZXLYSLLPQQJPA-UHFFFAOYSA-N -1 0 325.368 2.840 20 30 EFEDRM Cc1cc(C=NN[C@@H](C)c2ccncc2)cc(C)c1OCC(=O)[O-] ZINC001610458841 1098691582 /nfs/dbraw/zinc/69/15/82/1098691582.db2.gz DQXCXOPIUPOJMW-AWEZNQCLSA-N -1 0 327.384 2.847 20 30 EFEDRM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001610479561 1098701947 /nfs/dbraw/zinc/70/19/47/1098701947.db2.gz LJYFMOXADDLSPY-UHFFFAOYSA-N -1 0 343.408 2.882 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2CC#N)cc1 ZINC001610494128 1098711807 /nfs/dbraw/zinc/71/18/07/1098711807.db2.gz XBNGCNRXRWNBQN-SFHVURJKSA-N -1 0 336.391 2.936 20 30 EFEDRM Cc1ccc([C@@H](NCC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])cc1C ZINC001610495295 1098712907 /nfs/dbraw/zinc/71/29/07/1098712907.db2.gz OIMOPGGJUUUWCL-GOSISDBHSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1ccc(C[C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001610497584 1098713963 /nfs/dbraw/zinc/71/39/63/1098713963.db2.gz LTGBNNOAIWIAPW-OAHLLOKOSA-N -1 0 343.427 2.634 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2cccc(C)c2C#N)c(C(=O)[O-])c1 ZINC001610511157 1098722435 /nfs/dbraw/zinc/72/24/35/1098722435.db2.gz CRGCCAHQIAGTML-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1ncsc1CCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610564152 1098756086 /nfs/dbraw/zinc/75/60/86/1098756086.db2.gz GLEPXTKSKMCYTR-UHFFFAOYSA-N -1 0 330.365 2.697 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610578540 1098764415 /nfs/dbraw/zinc/76/44/15/1098764415.db2.gz QTIOHVZGDCQDBV-ABAIWWIYSA-N -1 0 326.352 2.522 20 30 EFEDRM Cc1oc(C=NN2C(=S)N=NC2c2cccs2)cc1C(=O)[O-] ZINC001610580868 1098765212 /nfs/dbraw/zinc/76/52/12/1098765212.db2.gz WLZRQNPRWVTPMA-UHFFFAOYSA-N -1 0 334.382 2.777 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1C(=O)[O-] ZINC001610601837 1098779949 /nfs/dbraw/zinc/77/99/49/1098779949.db2.gz VMMPLQJFSDYMGQ-DUXPYHPUSA-N -1 0 340.257 2.739 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1C(=O)[O-] ZINC001610601839 1098780219 /nfs/dbraw/zinc/78/02/19/1098780219.db2.gz VMMPLQJFSDYMGQ-RQOWECAXSA-N -1 0 340.257 2.739 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001610619481 1098785705 /nfs/dbraw/zinc/78/57/05/1098785705.db2.gz XXZSCHIJDOJOSL-HKUYNNGSSA-N -1 0 348.402 2.797 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001610618413 1098785785 /nfs/dbraw/zinc/78/57/85/1098785785.db2.gz YIHYJRXMVUMMIL-UHFFFAOYSA-N -1 0 333.697 2.949 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001610619503 1098785936 /nfs/dbraw/zinc/78/59/36/1098785936.db2.gz KXBZRLBRJTWYFB-CYBMUJFWSA-N -1 0 327.153 2.585 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC001610618497 1098786261 /nfs/dbraw/zinc/78/62/61/1098786261.db2.gz GCLPUQSZYNTDGN-AATRIKPKSA-N -1 0 341.392 2.526 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610618731 1098786272 /nfs/dbraw/zinc/78/62/72/1098786272.db2.gz IUAFNUGVJPVEFI-SJORKVTESA-N -1 0 341.436 2.756 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001610617960 1098786312 /nfs/dbraw/zinc/78/63/12/1098786312.db2.gz SCGNOZLSMFPSDW-NXEZZACHSA-N -1 0 338.816 2.722 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001610619488 1098786375 /nfs/dbraw/zinc/78/63/75/1098786375.db2.gz XXZSCHIJDOJOSL-IEBWSBKVSA-N -1 0 348.402 2.797 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001610619362 1098786427 /nfs/dbraw/zinc/78/64/27/1098786427.db2.gz SZNZUJHAABLAOV-ZIAGYGMSSA-N -1 0 332.787 2.660 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC001610618445 1098786513 /nfs/dbraw/zinc/78/65/13/1098786513.db2.gz YTCPXEBHUSDXJL-UHFFFAOYSA-N -1 0 329.331 2.671 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC001610622599 1098787310 /nfs/dbraw/zinc/78/73/10/1098787310.db2.gz BZAYKTJSMUBXFM-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CC[C@H](CC(=O)OCC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001610621113 1098787606 /nfs/dbraw/zinc/78/76/06/1098787606.db2.gz WMRIZYKRMVTMTL-CYBMUJFWSA-N -1 0 341.319 2.791 20 30 EFEDRM N#CCC[C@H](C#N)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001610621218 1098787719 /nfs/dbraw/zinc/78/77/19/1098787719.db2.gz AXCVFCGADQWPIJ-BYCMXARLSA-N -1 0 333.338 2.508 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC001610619678 1098787808 /nfs/dbraw/zinc/78/78/08/1098787808.db2.gz YUIAPJWXJOMFFQ-INIZCTEOSA-N -1 0 341.411 2.580 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001610623640 1098788817 /nfs/dbraw/zinc/78/88/17/1098788817.db2.gz VYOJSFYDORJRHK-QGZVFWFLSA-N -1 0 325.320 2.501 20 30 EFEDRM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001610624493 1098789262 /nfs/dbraw/zinc/78/92/62/1098789262.db2.gz VQPXVGFPQXLVMK-RMKNXTFCSA-N -1 0 347.323 2.563 20 30 EFEDRM N#CCOc1cc(F)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001610623217 1098789662 /nfs/dbraw/zinc/78/96/62/1098789662.db2.gz TWBNRXQPOMJQMP-UHFFFAOYSA-N -1 0 325.299 2.910 20 30 EFEDRM N#Cc1c(COC(=O)C2(c3ccccc3)CC(=O)C2)cccc1C(=O)[O-] ZINC001610624928 1098790451 /nfs/dbraw/zinc/79/04/51/1098790451.db2.gz IMHZUHOBUFMBED-UHFFFAOYSA-N -1 0 349.342 2.601 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2OCCc3ccccc32)cccc1C(=O)[O-] ZINC001610625001 1098790475 /nfs/dbraw/zinc/79/04/75/1098790475.db2.gz JVAMNBJJIQBGSF-KRWDZBQOSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CCCC2 ZINC001610625779 1098790545 /nfs/dbraw/zinc/79/05/45/1098790545.db2.gz BBMTWBABMFSEBC-HAQNSBGRSA-N -1 0 327.384 2.662 20 30 EFEDRM N#Cc1cc(C#N)c(S[C@H](C(=O)[O-])c2ccccc2Cl)nc1N ZINC001610625092 1098790623 /nfs/dbraw/zinc/79/06/23/1098790623.db2.gz IDUAEIZXSSFLLH-LBPRGKRZSA-N -1 0 344.783 2.979 20 30 EFEDRM N#Cc1c(COC(=O)c2cc3ccccc3c(=O)[nH]2)cccc1C(=O)[O-] ZINC001610625425 1098790821 /nfs/dbraw/zinc/79/08/21/1098790821.db2.gz USFFNPSJFYELAC-UHFFFAOYSA-N -1 0 348.314 2.867 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2OCCc3ccccc32)cccc1C(=O)[O-] ZINC001610625002 1098791035 /nfs/dbraw/zinc/79/10/35/1098791035.db2.gz JVAMNBJJIQBGSF-QGZVFWFLSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(-c3ccccn3)no2)cccc1C(=O)[O-] ZINC001610624880 1098791371 /nfs/dbraw/zinc/79/13/71/1098791371.db2.gz HUEOTOMTTAREDN-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c[nH]1 ZINC001610625025 1098791516 /nfs/dbraw/zinc/79/15/16/1098791516.db2.gz GVERYWRVUNDBIQ-UHFFFAOYSA-N -1 0 338.367 2.827 20 30 EFEDRM N#Cc1c(COC(=O)c2cnc(C3CC3)s2)cccc1C(=O)[O-] ZINC001610625448 1098791547 /nfs/dbraw/zinc/79/15/47/1098791547.db2.gz VFDLPIZORFNUFQ-UHFFFAOYSA-N -1 0 328.349 2.947 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cn1 ZINC001610627677 1098791948 /nfs/dbraw/zinc/79/19/48/1098791948.db2.gz OPAMGIVNKOXKEU-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nc1 ZINC001610626424 1098792081 /nfs/dbraw/zinc/79/20/81/1098792081.db2.gz JRERMEWJZGLYPD-YJBOKZPZSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001610627744 1098792136 /nfs/dbraw/zinc/79/21/36/1098792136.db2.gz GKSCULXJKXNFHJ-UHFFFAOYSA-N -1 0 343.770 2.909 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cccc(OCC(=O)[O-])c2)cc1F ZINC001610627026 1098792684 /nfs/dbraw/zinc/79/26/84/1098792684.db2.gz HWEUKPBNBIURPA-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])n2)c(F)c1 ZINC001610631263 1098793785 /nfs/dbraw/zinc/79/37/85/1098793785.db2.gz LKRWYMJJQUHOPZ-UHFFFAOYSA-N -1 0 331.328 2.521 20 30 EFEDRM N#Cc1ccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001610629551 1098793951 /nfs/dbraw/zinc/79/39/51/1098793951.db2.gz RGUAPBPSFQKAIX-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1ccc(NCC(=O)OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001610629444 1098794069 /nfs/dbraw/zinc/79/40/69/1098794069.db2.gz VRWQBSKPMCJCQH-UHFFFAOYSA-N -1 0 328.299 2.551 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001610632295 1098795162 /nfs/dbraw/zinc/79/51/62/1098795162.db2.gz UZLAFYIWYRYNPB-GOSISDBHSA-N -1 0 336.391 2.693 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2ccc(F)cc2F)C(=O)[O-])c1 ZINC001610632502 1098795201 /nfs/dbraw/zinc/79/52/01/1098795201.db2.gz XRDFIEHYIVKJET-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cnc(C3CC3)s2)C(=O)[O-])c1 ZINC001610632407 1098795646 /nfs/dbraw/zinc/79/56/46/1098795646.db2.gz WMNIKVCTTZFVJE-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1 ZINC001610632582 1098795748 /nfs/dbraw/zinc/79/57/48/1098795748.db2.gz ZCBTXEQVEAZEQO-INIZCTEOSA-N -1 0 347.330 2.931 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1F ZINC001610631800 1098795892 /nfs/dbraw/zinc/79/58/92/1098795892.db2.gz XJAQGNHMEDJMBM-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM N#Cc1ncc(OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)cn1 ZINC001610634198 1098796722 /nfs/dbraw/zinc/79/67/22/1098796722.db2.gz PEERBCGSVDMIQJ-UHFFFAOYSA-N -1 0 338.348 2.749 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001610633600 1098797222 /nfs/dbraw/zinc/79/72/22/1098797222.db2.gz SDHKGOKSTPKICZ-UHFFFAOYSA-N -1 0 349.389 2.503 20 30 EFEDRM N#Cc1csc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001610634153 1098797579 /nfs/dbraw/zinc/79/75/79/1098797579.db2.gz MVZGFVFZPIIYHC-QMMMGPOBSA-N -1 0 333.394 2.518 20 30 EFEDRM O=C([O-])c1occc1/C=C/C(=O)c1ccc(N2CCOC2=O)cc1 ZINC001610650485 1098802991 /nfs/dbraw/zinc/80/29/91/1098802991.db2.gz IEMMNOVGUGQCDN-ZZXKWVIFSA-N -1 0 327.292 2.831 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)NCCC2CCCCC2)cc1 ZINC001610669250 1098815378 /nfs/dbraw/zinc/81/53/78/1098815378.db2.gz NYCHHRYQWOEGDH-UHFFFAOYSA-N -1 0 332.400 2.822 20 30 EFEDRM O=C([O-])c1ccc(C=NNCCc2ccncc2)c(Br)c1 ZINC001610824260 1098914289 /nfs/dbraw/zinc/91/42/89/1098914289.db2.gz OPLRSQCVEIZYEN-UHFFFAOYSA-N -1 0 348.200 2.709 20 30 EFEDRM O=C([O-])c1ccc(/C=C2/COc3c(cc(F)cc3[N+](=O)[O-])C2=O)o1 ZINC001610824220 1098914925 /nfs/dbraw/zinc/91/49/25/1098914925.db2.gz MYHTVGCDMHWLLZ-CLTKARDFSA-N -1 0 333.227 2.684 20 30 EFEDRM O=C([O-])c1ccc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)o1 ZINC001610824221 1098914932 /nfs/dbraw/zinc/91/49/32/1098914932.db2.gz MYHTVGCDMHWLLZ-XVNBXDOJSA-N -1 0 333.227 2.684 20 30 EFEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3ccc(F)cc32)cc1Cl ZINC001610835453 1098924134 /nfs/dbraw/zinc/92/41/34/1098924134.db2.gz IEZLCDHHJLRVRZ-UHFFFAOYSA-N -1 0 333.706 2.946 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC001610866862 1098946051 /nfs/dbraw/zinc/94/60/51/1098946051.db2.gz UYQAWLANODQYNK-AATRIKPKSA-N -1 0 327.292 2.831 20 30 EFEDRM C=CCO[N-]C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000837048578 1099451523 /nfs/dbraw/zinc/45/15/23/1099451523.db2.gz UWOVGLTTXZUVFA-AWEZNQCLSA-N -1 0 339.233 2.820 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000042234232 1100077271 /nfs/dbraw/zinc/07/72/71/1100077271.db2.gz LZDYUXOJUAVGIO-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM N#CCSc1cccc(C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC001642871495 1101251919 /nfs/dbraw/zinc/25/19/19/1101251919.db2.gz URONDYAXPDMORF-UHFFFAOYSA-N -1 0 336.380 2.735 20 30 EFEDRM COc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1C#N ZINC001643054103 1101266034 /nfs/dbraw/zinc/26/60/34/1101266034.db2.gz BEUJLKYXXCBIKF-UHFFFAOYSA-N -1 0 348.362 2.607 20 30 EFEDRM Cc1ccc(-c2cccc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)c2)cc1 ZINC001651644328 1101359361 /nfs/dbraw/zinc/35/93/61/1101359361.db2.gz GIHWRDIITLSUKB-UHFFFAOYSA-N -1 0 346.390 2.533 20 30 EFEDRM COC(=O)C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000785410140 1101530125 /nfs/dbraw/zinc/53/01/25/1101530125.db2.gz XBSQYKBBWLCJSF-AWEZNQCLSA-N -1 0 336.347 2.571 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209887739 1102077943 /nfs/dbraw/zinc/07/79/43/1102077943.db2.gz KHEDFWFRXQKUKO-UHFFFAOYSA-N -1 0 330.319 2.687 20 30 EFEDRM CCN(CC)Cc1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000785410292 1102329688 /nfs/dbraw/zinc/32/96/88/1102329688.db2.gz VQYDRAQBOXZGLH-UHFFFAOYSA-N -1 0 330.413 2.814 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1[O-] ZINC000748131267 1102668074 /nfs/dbraw/zinc/66/80/74/1102668074.db2.gz JIOZEPXHAOIUSO-UHFFFAOYSA-N -1 0 341.352 2.730 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000748132482 1102683331 /nfs/dbraw/zinc/68/33/31/1102683331.db2.gz ULNDTHGMNAKOKH-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM N#Cc1cc2ccccc2cc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000906066926 1103877022 /nfs/dbraw/zinc/87/70/22/1103877022.db2.gz HFXPDJBWLIRLHJ-UHFFFAOYSA-N -1 0 349.437 2.630 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nccnc1-c1ccc(OC)cc1 ZINC000906066487 1103877782 /nfs/dbraw/zinc/87/77/82/1103877782.db2.gz LYSKBWIAYPJTHP-UHFFFAOYSA-N -1 0 333.413 2.860 20 30 EFEDRM CN1CCCc2ccc(S(=O)(=O)[N-]c3sccc3C#N)cc21 ZINC000906068923 1103880148 /nfs/dbraw/zinc/88/01/48/1103880148.db2.gz PRGHSUHOMMMIRN-UHFFFAOYSA-N -1 0 333.438 2.803 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc3c2OCO3)sc2c1CCC2 ZINC000906073505 1103904318 /nfs/dbraw/zinc/90/43/18/1103904318.db2.gz OGVGTXCYENGQGX-UHFFFAOYSA-N -1 0 348.405 2.638 20 30 EFEDRM C[C@@H](O)CN(C)N=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000841652906 1104320750 /nfs/dbraw/zinc/32/07/50/1104320750.db2.gz OURVYENVLXPCFZ-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NC(=N)c2nccs2)cc1 ZINC001168284274 1106053281 /nfs/dbraw/zinc/05/32/81/1106053281.db2.gz SKSKAMKIZUXXAJ-QMMMGPOBSA-N -1 0 342.346 2.920 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(Br)cc1Cl ZINC000092462547 1106849138 /nfs/dbraw/zinc/84/91/38/1106849138.db2.gz KVGZBDPBDCIKSW-UHFFFAOYSA-N -1 0 332.581 2.815 20 30 EFEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)cc1 ZINC000903173189 1107046501 /nfs/dbraw/zinc/04/65/01/1107046501.db2.gz KSPPLCLLJDODBD-NSHDSACASA-N -1 0 332.429 2.915 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)C1=O ZINC001272218825 1107945593 /nfs/dbraw/zinc/94/55/93/1107945593.db2.gz IFSWAUJHHPDTBC-GOSISDBHSA-N -1 0 348.830 2.686 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3ccc(Cl)c([O-])c3)CC2)C1=O ZINC001272220617 1107969153 /nfs/dbraw/zinc/96/91/53/1107969153.db2.gz ZLGVITHWDRJKKY-UHFFFAOYSA-N -1 0 348.830 2.686 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cccc([S-])c1)CC2 ZINC001272378571 1108130442 /nfs/dbraw/zinc/13/04/42/1108130442.db2.gz BHCUYGGZSSPZAG-OAHLLOKOSA-N -1 0 330.453 2.520 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN(C(=O)c3c([O-])cccc3F)CC2)C1=O ZINC001272388530 1108159287 /nfs/dbraw/zinc/15/92/87/1108159287.db2.gz MFAWMTYIDDPDTC-IBGZPJMESA-N -1 0 346.402 2.562 20 30 EFEDRM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1ccc(O)cc1[O-] ZINC000905072408 1108393914 /nfs/dbraw/zinc/39/39/14/1108393914.db2.gz DUKXRMCHMFGDLV-BAQGIRSFSA-N -1 0 339.391 2.955 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cn3c(n2)CCCC3)c1)C(=O)[O-] ZINC000905074393 1108395644 /nfs/dbraw/zinc/39/56/44/1108395644.db2.gz NTILOYQGKDESHK-LJTDUEICSA-N -1 0 340.379 2.967 20 30 EFEDRM COc1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c(F)cc1C#N ZINC000905105923 1108406174 /nfs/dbraw/zinc/40/61/74/1108406174.db2.gz JWKBTVDHYBPMRM-GFCCVEGCSA-N -1 0 344.408 2.509 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C#N)cs1 ZINC000176460469 1108663999 /nfs/dbraw/zinc/66/39/99/1108663999.db2.gz LSYHXUWXRUAFCJ-LBPRGKRZSA-N -1 0 339.376 2.980 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)cc1CC(=O)[O-] ZINC000899342837 1109293298 /nfs/dbraw/zinc/29/32/98/1109293298.db2.gz HJPUTRGFGTYBCS-ALCCZGGFSA-N -1 0 340.379 2.829 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])nn1C)CO2 ZINC000899349490 1109295910 /nfs/dbraw/zinc/29/59/10/1109295910.db2.gz DDIVRUXJOAKCMN-WUXMJOGZSA-N -1 0 326.352 2.900 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C)/C(=C\c1cc(C(=O)[O-])nn1C)C2=O ZINC000899392889 1109313378 /nfs/dbraw/zinc/31/33/78/1109313378.db2.gz XNYPUNKMGKGIMM-XBLUXWHVSA-N -1 0 326.352 2.585 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000042232518 1109345896 /nfs/dbraw/zinc/34/58/96/1109345896.db2.gz BPNZLOSUNHJYPF-ZDUSSCGKSA-N -1 0 348.355 2.597 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138607285 1109429149 /nfs/dbraw/zinc/42/91/49/1109429149.db2.gz JBGUNWWGBIYFTI-CQSZACIVSA-N -1 0 342.374 2.640 20 30 EFEDRM CCOc1ccc(C[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842323225 1109447079 /nfs/dbraw/zinc/44/70/79/1109447079.db2.gz GYOIGRSGOBNXQN-BBRMVZONSA-N -1 0 339.395 2.589 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899776173 1109476186 /nfs/dbraw/zinc/47/61/86/1109476186.db2.gz SPLRKFHAFDQJDQ-UFFZPEBXSA-N -1 0 340.379 2.829 20 30 EFEDRM C=C(Br)CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899803251 1109491868 /nfs/dbraw/zinc/49/18/68/1109491868.db2.gz NBVQSLDZHXPXHL-LBPRGKRZSA-N -1 0 326.190 2.578 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899810420 1109499186 /nfs/dbraw/zinc/49/91/86/1109499186.db2.gz GTVKXEYENAGCEK-REVCEQPZSA-N -1 0 343.354 2.689 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccc(C3CC3)c2)CCCC1 ZINC000842331341 1109505140 /nfs/dbraw/zinc/50/51/40/1109505140.db2.gz SMRGAQBHSJFHBS-UHFFFAOYSA-N -1 0 346.452 2.636 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2C#N)cc1 ZINC000176538716 1111098004 /nfs/dbraw/zinc/09/80/04/1111098004.db2.gz IOVGOTHICIUWDY-HNNXBMFYSA-N -1 0 335.388 2.778 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccccc2C(=O)c2ccccc2)[n-]c1C#N ZINC000914532304 1111241418 /nfs/dbraw/zinc/24/14/18/1111241418.db2.gz FRCWQGPDHYAGJW-UHFFFAOYSA-N -1 0 341.330 2.636 20 30 EFEDRM CCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699073 1111331395 /nfs/dbraw/zinc/33/13/95/1111331395.db2.gz BMOPWVKEVLMAJL-UHFFFAOYSA-N -1 0 333.417 2.865 20 30 EFEDRM N#Cc1nc(NC(=O)COc2ccccc2-c2ccccc2)[n-]c1C#N ZINC000914857898 1111437836 /nfs/dbraw/zinc/43/78/36/1111437836.db2.gz CYTKRODVEFQXDY-UHFFFAOYSA-N -1 0 343.346 2.838 20 30 EFEDRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000916774581 1111983950 /nfs/dbraw/zinc/98/39/50/1111983950.db2.gz SXDSHHYULHACOE-UHFFFAOYSA-N -1 0 346.433 2.789 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916844856 1111992113 /nfs/dbraw/zinc/99/21/13/1111992113.db2.gz GYMHWPBNYYBONW-AWEZNQCLSA-N -1 0 345.362 2.901 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(OC)c1)O[C@H](C)C2 ZINC000916877287 1111994001 /nfs/dbraw/zinc/99/40/01/1111994001.db2.gz PUHFAOZXCPATHJ-IUODEOHRSA-N -1 0 344.411 2.647 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000916887840 1111994897 /nfs/dbraw/zinc/99/48/97/1111994897.db2.gz ZQHGITFLCMXJLM-CYBMUJFWSA-N -1 0 326.377 2.590 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916893899 1111995740 /nfs/dbraw/zinc/99/57/40/1111995740.db2.gz KHWQFHKQYVNJGT-OAHLLOKOSA-N -1 0 336.395 2.848 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916894132 1111996975 /nfs/dbraw/zinc/99/69/75/1111996975.db2.gz PRGZPSKVDLRCHD-LBPRGKRZSA-N -1 0 339.317 2.872 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000916922689 1111998014 /nfs/dbraw/zinc/99/80/14/1111998014.db2.gz ZSEXFFOELZAPKE-LLVKDONJSA-N -1 0 329.381 2.645 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000916921669 1111998065 /nfs/dbraw/zinc/99/80/65/1111998065.db2.gz WSCDSMQCOHNWCL-QGZVFWFLSA-N -1 0 339.370 2.858 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cc1 ZINC000750678194 1112212343 /nfs/dbraw/zinc/21/23/43/1112212343.db2.gz KYUJRCRFYMFXSB-UHFFFAOYSA-N -1 0 334.422 2.691 20 30 EFEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(F)cc1F ZINC000069643039 1118016512 /nfs/dbraw/zinc/01/65/12/1118016512.db2.gz IEGAUTNVSMNHLG-UHFFFAOYSA-N -1 0 340.351 2.646 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CCCC#N)CCCCC2)c1 ZINC000181965671 1118336432 /nfs/dbraw/zinc/33/64/32/1118336432.db2.gz FZANSKQOXQYZKB-UHFFFAOYSA-N -1 0 348.468 2.947 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)s2)o1 ZINC000131052711 1118838016 /nfs/dbraw/zinc/83/80/16/1118838016.db2.gz QJRCSFPKAHTAJH-LLVKDONJSA-N -1 0 331.397 2.867 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(Cc2ccc(C)cc2)n1 ZINC000131216459 1120624022 /nfs/dbraw/zinc/62/40/22/1120624022.db2.gz DFEXKXCQFHHFDN-CQSZACIVSA-N -1 0 339.420 2.667 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000055566912 214330375 /nfs/dbraw/zinc/33/03/75/214330375.db2.gz YXOWLRSOPOAGOV-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1 ZINC000055635789 214335200 /nfs/dbraw/zinc/33/52/00/214335200.db2.gz GCZBLCRYROUXGR-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n(CCC#N)n1 ZINC000066247993 215027287 /nfs/dbraw/zinc/02/72/87/215027287.db2.gz PAFGNHGPTIOJDJ-UHFFFAOYSA-N -1 0 344.440 2.785 20 30 EFEDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000066253047 215027813 /nfs/dbraw/zinc/02/78/13/215027813.db2.gz SKVTWJVBGZFYDW-NSHDSACASA-N -1 0 347.465 2.752 20 30 EFEDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000066253046 215027952 /nfs/dbraw/zinc/02/79/52/215027952.db2.gz SKVTWJVBGZFYDW-LLVKDONJSA-N -1 0 347.465 2.752 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(Cl)cc2c1C ZINC000103502838 219308578 /nfs/dbraw/zinc/30/85/78/219308578.db2.gz PCJZGGJNYMRGGK-CYBMUJFWSA-N -1 0 348.786 2.870 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(Cl)s2)nc1C ZINC000103664578 219318909 /nfs/dbraw/zinc/31/89/09/219318909.db2.gz RKGDZJRBESKOSF-ZETCQYMHSA-N -1 0 339.829 2.902 20 30 EFEDRM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282141 215374313 /nfs/dbraw/zinc/37/43/13/215374313.db2.gz KVNBDFCMTPDCBH-PWSUYJOCSA-N -1 0 347.820 2.569 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1F ZINC000180516625 233888502 /nfs/dbraw/zinc/88/85/02/233888502.db2.gz CRUNGVJSSQLQNZ-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000129013331 223011229 /nfs/dbraw/zinc/01/12/29/223011229.db2.gz UCROJTCKMAWEEX-UHFFFAOYSA-N -1 0 345.428 2.535 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c(C)c1C ZINC000187729703 236285148 /nfs/dbraw/zinc/28/51/48/236285148.db2.gz JNVZTGACLMXSKC-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM O=C(C=Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000071892452 215929619 /nfs/dbraw/zinc/92/96/19/215929619.db2.gz UDAZGGVALZFJBA-VIIAAUOXSA-N -1 0 327.377 2.694 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc2[n-]c1=S ZINC000130671924 223168289 /nfs/dbraw/zinc/16/82/89/223168289.db2.gz HFOALGRFGWGGMZ-JTQLQIEISA-N -1 0 345.424 2.800 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073264152 238812895 /nfs/dbraw/zinc/81/28/95/238812895.db2.gz YEJOKLMLQDKHMD-BMFZPTHFSA-N -1 0 335.425 2.778 20 30 EFEDRM C[C@@H](C#N)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000162428379 239091010 /nfs/dbraw/zinc/09/10/10/239091010.db2.gz BPEKZLLTQVDBET-YFKPBYRVSA-N -1 0 347.994 2.559 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000174029102 239217035 /nfs/dbraw/zinc/21/70/35/239217035.db2.gz WQNFGMNKIOAGME-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000174218230 239221442 /nfs/dbraw/zinc/22/14/42/239221442.db2.gz INCRXSWNFBESCK-QWRGUYRKSA-N -1 0 340.832 2.843 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccccc2C#Cc2ccccc2)cn1 ZINC000176722755 239338699 /nfs/dbraw/zinc/33/86/99/239338699.db2.gz UPAIBAFCAAFYFC-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)co1 ZINC000187241387 239706009 /nfs/dbraw/zinc/70/60/09/239706009.db2.gz XBPDXXRIGYYXGD-ZDUSSCGKSA-N -1 0 334.339 2.589 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Br)c2)C(=O)O1 ZINC000023640464 212387533 /nfs/dbraw/zinc/38/75/33/212387533.db2.gz ZOALIJLVCRHSJJ-GJBLVYBDSA-N -1 0 335.153 2.677 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000192703402 240061066 /nfs/dbraw/zinc/06/10/66/240061066.db2.gz HTTDKYJWXAFIHA-UHFFFAOYSA-N -1 0 325.364 2.922 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C(C)C)C3CC3)cc2[n-]c1=S ZINC000194180831 240144802 /nfs/dbraw/zinc/14/48/02/240144802.db2.gz IXYARMYDULGVLH-UHFFFAOYSA-N -1 0 343.452 2.884 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C#N ZINC000194667131 240171895 /nfs/dbraw/zinc/17/18/95/240171895.db2.gz VPEUQYHYXAYEGA-UHFFFAOYSA-N -1 0 345.211 2.839 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000194717646 240174741 /nfs/dbraw/zinc/17/47/41/240174741.db2.gz GPSRNQSIAGMNNZ-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#CC1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000193951054 240132619 /nfs/dbraw/zinc/13/26/19/240132619.db2.gz PKNJLDBWMCNLHT-UHFFFAOYSA-N -1 0 330.775 2.607 20 30 EFEDRM C#CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237980555 240248763 /nfs/dbraw/zinc/24/87/63/240248763.db2.gz VUUIYDIWDWZBAV-XIRDDKMYSA-N -1 0 327.380 2.557 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000195446430 240225617 /nfs/dbraw/zinc/22/56/17/240225617.db2.gz OJVROOLZKHFTJU-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCOc1ccc(C[C@@H](CNC(=O)C2(C#N)CCCC2)C(=O)[O-])cc1 ZINC000236977408 240237975 /nfs/dbraw/zinc/23/79/75/240237975.db2.gz PPVHSEMDDSXBFQ-HNNXBMFYSA-N -1 0 344.411 2.529 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(OC)c(Br)s1)C(=O)[O-] ZINC000262808678 240370384 /nfs/dbraw/zinc/37/03/84/240370384.db2.gz DGJWMEGDQZLODZ-SSDOTTSWSA-N -1 0 348.218 2.668 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1CCC)C(=O)[O-] ZINC000262800941 240370971 /nfs/dbraw/zinc/37/09/71/240370971.db2.gz CPCMXKGHZBAFSD-INIZCTEOSA-N -1 0 341.411 2.974 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000262881923 240372829 /nfs/dbraw/zinc/37/28/29/240372829.db2.gz KQYAYNGTCGCTBE-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)[O-] ZINC000262833554 240373020 /nfs/dbraw/zinc/37/30/20/240373020.db2.gz GCJWTFRDIFPQIJ-KRWDZBQOSA-N -1 0 327.380 2.927 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1CC)C(=O)[O-] ZINC000262892977 240373360 /nfs/dbraw/zinc/37/33/60/240373360.db2.gz LONULMBAJMRQQZ-HNNXBMFYSA-N -1 0 345.374 2.723 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000262881922 240373392 /nfs/dbraw/zinc/37/33/92/240373392.db2.gz KQYAYNGTCGCTBE-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262973663 240373803 /nfs/dbraw/zinc/37/38/03/240373803.db2.gz KCKZBINHTCAOIV-KURKYZTESA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262915389 240374440 /nfs/dbraw/zinc/37/44/40/240374440.db2.gz FSQMEXGDSDCNID-GJZGRUSLSA-N -1 0 339.819 2.852 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262940364 240374477 /nfs/dbraw/zinc/37/44/77/240374477.db2.gz HQFJSNSZGUBRAD-CYBMUJFWSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000262938128 240375181 /nfs/dbraw/zinc/37/51/81/240375181.db2.gz POYFCJZAESNDGT-CQSZACIVSA-N -1 0 328.368 2.728 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000262940791 240375303 /nfs/dbraw/zinc/37/53/03/240375303.db2.gz PWHCECJCBZAQKB-AWEZNQCLSA-N -1 0 328.368 2.810 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000262969530 240375369 /nfs/dbraw/zinc/37/53/69/240375369.db2.gz JVVREAHTKXMNEO-KSZLIROESA-N -1 0 339.391 2.715 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262946144 240375431 /nfs/dbraw/zinc/37/54/31/240375431.db2.gz AGVPUENVEZMRKJ-HNNXBMFYSA-N -1 0 331.416 2.654 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262918107 240375454 /nfs/dbraw/zinc/37/54/54/240375454.db2.gz FYHUFSIVSVYFQY-GWCFXTLKSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCC[C@H](NC(=O)CCCOc1ccc(F)cc1F)C(=O)[O-] ZINC000262973578 240375504 /nfs/dbraw/zinc/37/55/04/240375504.db2.gz SYDKILOAHGIZRQ-ZDUSSCGKSA-N -1 0 327.327 2.659 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000262997831 240375621 /nfs/dbraw/zinc/37/56/21/240375621.db2.gz WBCPCIMWWRJZOL-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262988812 240375683 /nfs/dbraw/zinc/37/56/83/240375683.db2.gz LGKBDHJSFMXOBM-NOZJJQNGSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000263032098 240377579 /nfs/dbraw/zinc/37/75/79/240377579.db2.gz YXMFITSQPLRFBN-GFCCVEGCSA-N -1 0 334.397 2.790 20 30 EFEDRM C=CCC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000263036656 240378570 /nfs/dbraw/zinc/37/85/70/240378570.db2.gz ZIVJEWCFCNDSCS-INIZCTEOSA-N -1 0 329.396 2.674 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000263135413 240380275 /nfs/dbraw/zinc/38/02/75/240380275.db2.gz WFEPEWNRWRDQFS-CYBMUJFWSA-N -1 0 331.368 2.744 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000263144226 240381276 /nfs/dbraw/zinc/38/12/76/240381276.db2.gz WVSIIQIJCOVKPQ-GFCCVEGCSA-N -1 0 343.832 2.594 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000263346019 240383041 /nfs/dbraw/zinc/38/30/41/240383041.db2.gz GOHADDGGPLJDOO-QAPCUYQASA-N -1 0 329.400 2.928 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000263346001 240383483 /nfs/dbraw/zinc/38/34/83/240383483.db2.gz GOHADDGGPLJDOO-MAUKXSAKSA-N -1 0 329.400 2.928 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263373540 240383654 /nfs/dbraw/zinc/38/36/54/240383654.db2.gz WBTPGKAFMIENBX-ZFWWWQNUSA-N -1 0 332.400 2.504 20 30 EFEDRM CC(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)CCCC#N)cc1 ZINC000274997941 240745846 /nfs/dbraw/zinc/74/58/46/240745846.db2.gz AGBPACAOQZJLPJ-HNNXBMFYSA-N -1 0 338.429 2.549 20 30 EFEDRM CC1(C)CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[C@H]1C#N ZINC000277630243 240787057 /nfs/dbraw/zinc/78/70/57/240787057.db2.gz ZXYHEWBNVQVJBP-ZDUSSCGKSA-N -1 0 342.424 2.778 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000281754729 240952876 /nfs/dbraw/zinc/95/28/76/240952876.db2.gz KAFLXEDXUIMKGX-DKSSEZFCSA-N -1 0 331.412 2.516 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000320453828 241203987 /nfs/dbraw/zinc/20/39/87/241203987.db2.gz OEAIPQFWIQDGGS-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1csc(C2(NC(=O)N=c3ccc(OC(C)C)n[n-]3)CCC2)n1 ZINC000328945856 241274472 /nfs/dbraw/zinc/27/44/72/241274472.db2.gz AZUCFTSDNRXEAV-UHFFFAOYSA-N -1 0 347.444 2.856 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000324646643 241206202 /nfs/dbraw/zinc/20/62/02/241206202.db2.gz DWXIRPPUHVNDGQ-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000328738104 241232770 /nfs/dbraw/zinc/23/27/70/241232770.db2.gz HGOKTXRYDVHLPE-CQSZACIVSA-N -1 0 334.383 2.679 20 30 EFEDRM Cc1nc(C(C)(C)NC(=O)c2cccn3c([O-])nnc23)sc1C ZINC000329110867 241305134 /nfs/dbraw/zinc/30/51/34/241305134.db2.gz QOGXJEJKOIEKIH-UHFFFAOYSA-N -1 0 331.401 2.748 20 30 EFEDRM CSc1nc(=NC(=O)N2CCC[C@H]2C2CCOCC2)s[n-]1 ZINC000329516205 241387186 /nfs/dbraw/zinc/38/71/86/241387186.db2.gz YVBSPWQORKJGAL-JTQLQIEISA-N -1 0 328.463 2.697 20 30 EFEDRM CC[C@@H]1C[C@@H](C([O-])=Nc2cncc(-c3nncn3C)c2)CC(=O)N1 ZINC000329590704 241401037 /nfs/dbraw/zinc/40/10/37/241401037.db2.gz NPLBNPNGBBBDKV-ZYHUDNBSSA-N -1 0 328.376 2.610 20 30 EFEDRM CCC1(NC([O-])=Nc2cccn(CC(F)(F)F)c2=O)CCOCC1 ZINC000330700084 241560947 /nfs/dbraw/zinc/56/09/47/241560947.db2.gz IBAKIJRLSGSEEP-UHFFFAOYSA-N -1 0 347.337 2.505 20 30 EFEDRM CCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000354414631 241995315 /nfs/dbraw/zinc/99/53/15/241995315.db2.gz NFDGMKSEIGRSDX-LBPRGKRZSA-N -1 0 328.353 2.987 20 30 EFEDRM COc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccncn2)cc1SC ZINC000354457287 241998113 /nfs/dbraw/zinc/99/81/13/241998113.db2.gz ALGZDLFJZIVAAK-SNVBAGLBSA-N -1 0 344.352 2.605 20 30 EFEDRM CSc1ncc(C([O-])=C(C#N)c2ccncn2)n1-c1ccccc1 ZINC000354466098 242001476 /nfs/dbraw/zinc/00/14/76/242001476.db2.gz MIEUDXJBMBVMOZ-ZDUSSCGKSA-N -1 0 335.392 2.874 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355858796 242049688 /nfs/dbraw/zinc/04/96/88/242049688.db2.gz AWGZJJJIWGVKJN-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355849601 242050180 /nfs/dbraw/zinc/05/01/80/242050180.db2.gz VKIJJUWUFHTUQZ-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2noc3c2CCCC3)n1 ZINC000354684682 242009986 /nfs/dbraw/zinc/00/99/86/242009986.db2.gz QHYYQHMGEPRURR-JTQLQIEISA-N -1 0 345.380 2.677 20 30 EFEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000354940381 242015810 /nfs/dbraw/zinc/01/58/10/242015810.db2.gz CMXAYMBEUAIGKB-ZDUSSCGKSA-N -1 0 337.335 2.738 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sccc2OC)n1 ZINC000358402385 242119217 /nfs/dbraw/zinc/11/92/17/242119217.db2.gz NBCVGTZCTHLIKW-QMMMGPOBSA-N -1 0 336.394 2.880 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)[C@H](CC)c2ccc(F)cc2)s1 ZINC000358743987 242132991 /nfs/dbraw/zinc/13/29/91/242132991.db2.gz QORYWJOJNNWYMM-GFCCVEGCSA-N -1 0 341.433 2.622 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000359064243 242140341 /nfs/dbraw/zinc/14/03/41/242140341.db2.gz UWUKNWZKOCRSFO-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCO[C@@H]2C(C)(C)C)n[n-]c1=Nc1cnn(C)c1 ZINC000359113164 242142812 /nfs/dbraw/zinc/14/28/12/242142812.db2.gz FGYUFYWJOJZGGG-CABCVRRESA-N -1 0 344.463 2.672 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc3ccccc3c3cccnc23)c1C#N ZINC000357256776 242091772 /nfs/dbraw/zinc/09/17/72/242091772.db2.gz LBRJDNICHGPRGL-UHFFFAOYSA-N -1 0 327.347 2.965 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(CC(C)C)c2)n1 ZINC000359506499 242155037 /nfs/dbraw/zinc/15/50/37/242155037.db2.gz UKJDSMFXQNVZDU-LBPRGKRZSA-N -1 0 346.412 2.662 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1Sc1nccn1C ZINC000360219302 242190704 /nfs/dbraw/zinc/19/07/04/242190704.db2.gz UBAHEPXWVLPTIS-LLVKDONJSA-N -1 0 336.442 2.615 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1cnc2ccccc2n1 ZINC000361522478 242224481 /nfs/dbraw/zinc/22/44/81/242224481.db2.gz AQPWYMSSLWAUDM-CQSZACIVSA-N -1 0 340.346 2.701 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc12 ZINC000361531203 242225042 /nfs/dbraw/zinc/22/50/42/242225042.db2.gz PPESAXHTFCIHNZ-ZDUSSCGKSA-N -1 0 342.362 2.710 20 30 EFEDRM COCCOc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361521001 242225348 /nfs/dbraw/zinc/22/53/48/242225348.db2.gz WZTLUTMVVNCGBQ-AWEZNQCLSA-N -1 0 348.362 2.540 20 30 EFEDRM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1ccncn1 ZINC000362289893 242250915 /nfs/dbraw/zinc/25/09/15/242250915.db2.gz XPVMVEDTOOPPKW-SECBINFHSA-N -1 0 325.278 2.635 20 30 EFEDRM Cc1conc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000242001074 243008658 /nfs/dbraw/zinc/00/86/58/243008658.db2.gz VCTOTAQPZIYATA-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM C[C@@](CC(=O)NCC1(CC#N)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414106014 244008308 /nfs/dbraw/zinc/00/83/08/244008308.db2.gz WVGCITWRZZSTEH-INIZCTEOSA-N -1 0 334.803 2.882 20 30 EFEDRM C=CCN(CC=C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000020342102 212121568 /nfs/dbraw/zinc/12/15/68/212121568.db2.gz HHASSFOFTAFXGN-UHFFFAOYSA-N -1 0 334.441 2.938 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)Nc1ccc(-n2cccc2C(=O)[O-])c(C)c1 ZINC000416940303 244924031 /nfs/dbraw/zinc/92/40/31/244924031.db2.gz OWKKICILLMUERG-ZDUSSCGKSA-N -1 0 347.396 2.528 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000416960556 244935773 /nfs/dbraw/zinc/93/57/73/244935773.db2.gz QVTGYCUDBDLQLN-CQSZACIVSA-N -1 0 332.429 2.841 20 30 EFEDRM C[C@H](CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000417786200 245093936 /nfs/dbraw/zinc/09/39/36/245093936.db2.gz FRRYCOVCYSQWGR-LLVKDONJSA-N -1 0 333.388 2.920 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424472839 246771214 /nfs/dbraw/zinc/77/12/14/246771214.db2.gz PUAIEYFBWAODAR-UHFFFAOYSA-N -1 0 333.388 2.969 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424473653 246771427 /nfs/dbraw/zinc/77/14/27/246771427.db2.gz QMSKJDWSYGRDAP-ZDUSSCGKSA-N -1 0 333.388 2.825 20 30 EFEDRM C=CCC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCOCC1 ZINC000425258107 247018689 /nfs/dbraw/zinc/01/86/89/247018689.db2.gz QRZRKYXFAGZTGD-SJORKVTESA-N -1 0 343.423 2.686 20 30 EFEDRM C=CCCn1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1 ZINC000425263659 247021782 /nfs/dbraw/zinc/02/17/82/247021782.db2.gz LWMZRTXJCMRPAG-LLVKDONJSA-N -1 0 335.289 2.758 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccccc1 ZINC000425320360 247040979 /nfs/dbraw/zinc/04/09/79/247040979.db2.gz KUWBTOQJCGPFTP-OAHLLOKOSA-N -1 0 327.384 2.841 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000425659500 247158765 /nfs/dbraw/zinc/15/87/65/247158765.db2.gz VYAYWYSUWMCWFX-TUISVCKWSA-N -1 0 329.385 2.537 20 30 EFEDRM COC(=O)c1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1C(C)C ZINC000426377650 247270267 /nfs/dbraw/zinc/27/02/67/247270267.db2.gz NRHGUQHMYZBCSD-UHFFFAOYSA-N -1 0 345.380 2.883 20 30 EFEDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427210113 247329535 /nfs/dbraw/zinc/32/95/35/247329535.db2.gz GRLTWMJSBVWWCI-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427210725 247330026 /nfs/dbraw/zinc/33/00/26/247330026.db2.gz SWNODWPHFAPRJY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cccc1-c1ncco1 ZINC000427307076 247336691 /nfs/dbraw/zinc/33/66/91/247336691.db2.gz FEWLRGTZXQPCDY-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1F ZINC000427312778 247336880 /nfs/dbraw/zinc/33/68/80/247336880.db2.gz BMBFJFJFRXHOCH-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000427324807 247337804 /nfs/dbraw/zinc/33/78/04/247337804.db2.gz PZYHJKXUJSSAPG-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427632850 247374935 /nfs/dbraw/zinc/37/49/35/247374935.db2.gz GMRYZYBFCZTOQH-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc23)cn1 ZINC000427642379 247376010 /nfs/dbraw/zinc/37/60/10/247376010.db2.gz PJVWMNNPKOQSDL-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)noc2c1 ZINC000427756685 247390576 /nfs/dbraw/zinc/39/05/76/247390576.db2.gz ICXHZNCKTGFYTF-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)noc2c1 ZINC000427764278 247391399 /nfs/dbraw/zinc/39/13/99/247391399.db2.gz KOMXJURCSPSADV-UHFFFAOYSA-N -1 0 347.327 2.648 20 30 EFEDRM CC(=Cc1cc(Cl)c2c(c1)OCCO2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335755 248227733 /nfs/dbraw/zinc/22/77/33/248227733.db2.gz KSTWHERREZNDEK-WEVVVXLNSA-N -1 0 343.770 2.935 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435481953 248245489 /nfs/dbraw/zinc/24/54/89/248245489.db2.gz MDMQMHYJHSBCGE-UHFFFAOYSA-N -1 0 338.410 2.828 20 30 EFEDRM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435488057 248245654 /nfs/dbraw/zinc/24/56/54/248245654.db2.gz AJKHZAGRGDFNKI-UHFFFAOYSA-N -1 0 339.373 2.518 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)s1 ZINC000435505173 248246642 /nfs/dbraw/zinc/24/66/42/248246642.db2.gz MSXHJJSMAKLHTK-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2CC)n1 ZINC000442052334 250063134 /nfs/dbraw/zinc/06/31/34/250063134.db2.gz GPZGFGKRRCFKEM-MRVPVSSYSA-N -1 0 335.410 2.829 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442347604 250078062 /nfs/dbraw/zinc/07/80/62/250078062.db2.gz VILZLOGAHGBGPP-UHFFFAOYSA-N -1 0 346.368 2.699 20 30 EFEDRM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442642920 250094209 /nfs/dbraw/zinc/09/42/09/250094209.db2.gz BPNFHBIUULMRBO-HSZRJFAPSA-N -1 0 328.393 2.703 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(OC)c1OC ZINC000442636320 250093447 /nfs/dbraw/zinc/09/34/47/250093447.db2.gz SMQQYXIIQCXSNN-UHFFFAOYSA-N -1 0 328.324 2.542 20 30 EFEDRM COc1cc(CN=c2[n-]nc(Cc3ccccc3F)o2)ccc1C#N ZINC000443059885 250155159 /nfs/dbraw/zinc/15/51/59/250155159.db2.gz NRYLBGSIAUXIPM-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM COc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)ccc1C#N ZINC000443065959 250157341 /nfs/dbraw/zinc/15/73/41/250157341.db2.gz CZAGKGSUQPBIGK-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000443141753 250163700 /nfs/dbraw/zinc/16/37/00/250163700.db2.gz MRPUOHGTASEWOJ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1S(C)(=O)=O ZINC000095451834 218396269 /nfs/dbraw/zinc/39/62/69/218396269.db2.gz RVTFEYWKCHTFBG-ZDUSSCGKSA-N -1 0 348.449 2.908 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C#N)cc2)c1C ZINC000005134365 210395916 /nfs/dbraw/zinc/39/59/16/210395916.db2.gz LFAGTKKKPUYTAX-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263502274 533135099 /nfs/dbraw/zinc/13/50/99/533135099.db2.gz VVPUTBDDVKTQDQ-UHFFFAOYSA-N -1 0 332.375 2.614 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000328591363 258044396 /nfs/dbraw/zinc/04/43/96/258044396.db2.gz QISPFEDTDFGQOR-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCn2cccn2)c(Cl)cc1F ZINC000095416870 258067108 /nfs/dbraw/zinc/06/71/08/258067108.db2.gz FRAIAUCVDKKIHN-UHFFFAOYSA-N -1 0 345.783 2.720 20 30 EFEDRM C#C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263510117 533251978 /nfs/dbraw/zinc/25/19/78/533251978.db2.gz YNHBOZNYQRXFHG-PESDSKBTSA-N -1 0 334.803 2.957 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096400677 135643029 /nfs/dbraw/zinc/64/30/29/135643029.db2.gz IUFDIOCQQZQLOJ-CLTKARDFSA-N -1 0 335.363 2.658 20 30 EFEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000337739802 143799103 /nfs/dbraw/zinc/79/91/03/143799103.db2.gz CHEFXIKLSZJKSB-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C1CC1 ZINC000340941437 144957722 /nfs/dbraw/zinc/95/77/22/144957722.db2.gz QPOTWHJRMBLSBZ-SNVBAGLBSA-N -1 0 334.401 2.997 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)o1 ZINC000340943312 144958554 /nfs/dbraw/zinc/95/85/54/144958554.db2.gz ADPWCGYGDSFWNQ-UHFFFAOYSA-N -1 0 332.259 2.676 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OC(C)C)nc2)cc1C#N ZINC000342087724 145060010 /nfs/dbraw/zinc/06/00/10/145060010.db2.gz QNQXAJPKQWYCNE-UHFFFAOYSA-N -1 0 344.396 2.815 20 30 EFEDRM N#Cc1ccncc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000342110107 145063599 /nfs/dbraw/zinc/06/35/99/145063599.db2.gz XDCGBZXZPSXEPM-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)o1 ZINC000342447244 145128300 /nfs/dbraw/zinc/12/83/00/145128300.db2.gz MGMGVPUFUHSMSQ-UHFFFAOYSA-N -1 0 345.405 2.999 20 30 EFEDRM C[C@]([N-]S(=O)(=O)c1ccc(C#N)o1)(c1ccccc1)C(F)(F)F ZINC000342463783 145131623 /nfs/dbraw/zinc/13/16/23/145131623.db2.gz GDCWIUBKPCPNJU-ZDUSSCGKSA-N -1 0 344.314 2.907 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)o1 ZINC000342464312 145131671 /nfs/dbraw/zinc/13/16/71/145131671.db2.gz IJVRFXKTJPDXMA-UHFFFAOYSA-N -1 0 338.295 2.766 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(-c2ccccc2C)n1 ZINC000342474566 145133882 /nfs/dbraw/zinc/13/38/82/145133882.db2.gz FCTBASZUYPMFMH-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)o1 ZINC000342493252 145137493 /nfs/dbraw/zinc/13/74/93/145137493.db2.gz QRJGATPOZUAOQC-UHFFFAOYSA-N -1 0 335.360 2.691 20 30 EFEDRM Cc1nc([C@@H]2CCCO2)sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000342518309 145141737 /nfs/dbraw/zinc/14/17/37/145141737.db2.gz NPNONXKSXHZAKT-LBPRGKRZSA-N -1 0 345.428 2.626 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000343810515 145300532 /nfs/dbraw/zinc/30/05/32/145300532.db2.gz DONNLWQXZQFLHZ-UHFFFAOYSA-N -1 0 330.409 2.856 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000343814610 145301106 /nfs/dbraw/zinc/30/11/06/145301106.db2.gz UOBHCBUPBURPSE-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM CS[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000344068189 145360445 /nfs/dbraw/zinc/36/04/45/145360445.db2.gz MEILQJNVTUVYNB-GFCCVEGCSA-N -1 0 348.440 2.892 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)nc1C ZINC000348908917 146023097 /nfs/dbraw/zinc/02/30/97/146023097.db2.gz PUPUKTOTPAXCKT-UHFFFAOYSA-N -1 0 348.428 2.671 20 30 EFEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000350682964 146080068 /nfs/dbraw/zinc/08/00/68/146080068.db2.gz DIZJBVRNYMHIKO-UHFFFAOYSA-N -1 0 338.820 2.934 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1COC ZINC000350870252 146098062 /nfs/dbraw/zinc/09/80/62/146098062.db2.gz MSJKOETXPAFQMN-UHFFFAOYSA-N -1 0 331.397 2.547 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000350970622 146103344 /nfs/dbraw/zinc/10/33/44/146103344.db2.gz IQJALVQFSVWTBQ-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000351112842 146111242 /nfs/dbraw/zinc/11/12/42/146111242.db2.gz WNFTXUWOKFBRIW-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)Cc3ccccc3)o2)c1 ZINC000351447687 146124968 /nfs/dbraw/zinc/12/49/68/146124968.db2.gz DHFVBHYVOCVWLU-UHFFFAOYSA-N -1 0 340.364 2.550 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000351505750 146134120 /nfs/dbraw/zinc/13/41/20/146134120.db2.gz CSUNLWOITIPKIG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000351654521 146169757 /nfs/dbraw/zinc/16/97/57/146169757.db2.gz CRHQDIXNVFCLSP-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1COC ZINC000351828532 146212440 /nfs/dbraw/zinc/21/24/40/146212440.db2.gz GZPOQGNOQMGKCW-UHFFFAOYSA-N -1 0 345.424 2.937 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1C#N ZINC000352873825 146337741 /nfs/dbraw/zinc/33/77/41/146337741.db2.gz CBTZVZVRHSUDSX-UHFFFAOYSA-N -1 0 337.213 2.759 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3ncsc3c2)n1 ZINC000358828623 147911834 /nfs/dbraw/zinc/91/18/34/147911834.db2.gz OAHDHEYZFXNPKL-UHFFFAOYSA-N -1 0 347.425 2.746 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1C ZINC000359658704 148154254 /nfs/dbraw/zinc/15/42/54/148154254.db2.gz FEHYCUVKCDIDFH-NSHDSACASA-N -1 0 348.428 2.844 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000359724859 148172534 /nfs/dbraw/zinc/17/25/34/148172534.db2.gz NTSCEDHRVLMPAT-UHFFFAOYSA-N -1 0 339.374 2.572 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359724031 148172851 /nfs/dbraw/zinc/17/28/51/148172851.db2.gz LBNVCOCNQDAFGQ-SNVBAGLBSA-N -1 0 344.802 2.949 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc(-c2ccccc2)s1 ZINC000359724903 148172989 /nfs/dbraw/zinc/17/29/89/148172989.db2.gz OCULPEFWRMNZLF-UHFFFAOYSA-N -1 0 335.392 2.956 20 30 EFEDRM C[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(C#N)c1 ZINC000360138926 148281816 /nfs/dbraw/zinc/28/18/16/148281816.db2.gz BEGDMQXKAZWXDJ-NSHDSACASA-N -1 0 334.335 2.644 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C2CCCC2)C1 ZINC000365409178 149389887 /nfs/dbraw/zinc/38/98/87/149389887.db2.gz HBUTURSRXLJALL-UHFFFAOYSA-N -1 0 327.428 2.857 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C ZINC000357993997 286204474 /nfs/dbraw/zinc/20/44/74/286204474.db2.gz QKKYFJWGDOUTPP-SECBINFHSA-N -1 0 345.309 2.664 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000181500535 544934061 /nfs/dbraw/zinc/93/40/61/544934061.db2.gz SYAPGJNHCQKTJZ-ZDUSSCGKSA-N -1 0 340.431 2.755 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)cc1OC ZINC000074936172 264609432 /nfs/dbraw/zinc/60/94/32/264609432.db2.gz WJRIYDKPZLXHES-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290712162 270024647 /nfs/dbraw/zinc/02/46/47/270024647.db2.gz UAYSSKOADQYZND-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290622005 270024683 /nfs/dbraw/zinc/02/46/83/270024683.db2.gz KNFUQRKIQNIULE-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000326819649 270026194 /nfs/dbraw/zinc/02/61/94/270026194.db2.gz IHXBQBXSXUCWAM-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(Br)c2Cl)c1C#N ZINC000431674363 270028061 /nfs/dbraw/zinc/02/80/61/270028061.db2.gz DFCNFFCDYOHGGD-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2COc2ccccc2)c1C#N ZINC000431671809 270028185 /nfs/dbraw/zinc/02/81/85/270028185.db2.gz VSELWCCVVGIADR-UHFFFAOYSA-N -1 0 332.363 2.843 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000446892428 270028510 /nfs/dbraw/zinc/02/85/10/270028510.db2.gz LPGXEOGTVHRZQM-JTQLQIEISA-N -1 0 349.456 2.682 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000492621856 270032925 /nfs/dbraw/zinc/03/29/25/270032925.db2.gz WHMHEYGLTHCBBY-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(-c3cccc(F)c3)no2)[n-]1 ZINC000532341596 270035649 /nfs/dbraw/zinc/03/56/49/270035649.db2.gz QCKPOVPAZVDTGR-UHFFFAOYSA-N -1 0 339.330 2.804 20 30 EFEDRM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000532736700 270036181 /nfs/dbraw/zinc/03/61/81/270036181.db2.gz VWPUCWLZJVFDJI-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cccc([C@H]3CCCOC3)c2)[n-]1 ZINC000534300941 270036981 /nfs/dbraw/zinc/03/69/81/270036981.db2.gz LXVRPGFYRVJOFS-INIZCTEOSA-N -1 0 338.411 2.904 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1O ZINC000188427649 265133907 /nfs/dbraw/zinc/13/39/07/265133907.db2.gz WNXSOSRYUFYILQ-KRWDZBQOSA-N -1 0 344.317 2.756 20 30 EFEDRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188474385 265137451 /nfs/dbraw/zinc/13/74/51/265137451.db2.gz AFXKVMCIXHYUON-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM CC1(C)c2cc(S(=O)(=O)[N-]c3ccccc3C#N)ccc2NC1=O ZINC000049659748 272987911 /nfs/dbraw/zinc/98/79/11/272987911.db2.gz LXCUXQRYMLIQQD-UHFFFAOYSA-N -1 0 341.392 2.589 20 30 EFEDRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1 ZINC000287712575 266030142 /nfs/dbraw/zinc/03/01/42/266030142.db2.gz YCPYXURODJRQPL-UHFFFAOYSA-N -1 0 348.380 2.845 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000518138112 267166624 /nfs/dbraw/zinc/16/66/24/267166624.db2.gz HOLBHDCDKWTYCE-ZDUSSCGKSA-N -1 0 331.372 2.676 20 30 EFEDRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000281906956 267328736 /nfs/dbraw/zinc/32/87/36/267328736.db2.gz FYBKTXHLQBXNKU-UHFFFAOYSA-N -1 0 334.376 2.716 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)sc1C ZINC000296008145 267361098 /nfs/dbraw/zinc/36/10/98/267361098.db2.gz QIMVHFILXLCTBM-UHFFFAOYSA-N -1 0 333.438 2.921 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)cc(C(=O)[O-])c1 ZINC000507568873 268011971 /nfs/dbraw/zinc/01/19/71/268011971.db2.gz UONIJGZDXFCJDM-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1nc2ccc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)cc2s1 ZINC000432934726 268079425 /nfs/dbraw/zinc/07/94/25/268079425.db2.gz WWPSYUHHWXQHDQ-UHFFFAOYSA-N -1 0 325.397 2.928 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000288706635 268098940 /nfs/dbraw/zinc/09/89/40/268098940.db2.gz XGUUAIAOQKXFCB-NSHDSACASA-N -1 0 338.738 2.831 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1Cl ZINC000525953160 268204844 /nfs/dbraw/zinc/20/48/44/268204844.db2.gz HKBLOFQMYHPXGD-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)o1 ZINC000288480396 268208293 /nfs/dbraw/zinc/20/82/93/268208293.db2.gz RUTHOGBEOMKGJC-UHFFFAOYSA-N -1 0 346.364 2.994 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCC2)cc1Cl ZINC000493264161 268255075 /nfs/dbraw/zinc/25/50/75/268255075.db2.gz URGFKMVKMADNGI-VMPITWQZSA-N -1 0 338.816 2.763 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cn1 ZINC000479242278 268261568 /nfs/dbraw/zinc/26/15/68/268261568.db2.gz JRNFRURUPHSLHT-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cnc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000290581711 268311418 /nfs/dbraw/zinc/31/14/18/268311418.db2.gz CATFOGQMZHZGTD-SECBINFHSA-N -1 0 346.740 2.502 20 30 EFEDRM CC1(C)C[C@]1(C#N)NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000416234718 281368415 /nfs/dbraw/zinc/36/84/15/281368415.db2.gz PLCOQJFDZAHWDQ-CYBMUJFWSA-N -1 0 327.153 2.716 20 30 EFEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000125920327 293020724 /nfs/dbraw/zinc/02/07/24/293020724.db2.gz JGVSFILMPLPZRW-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000127804524 293081489 /nfs/dbraw/zinc/08/14/89/293081489.db2.gz HTLWWFJJWNUHQG-JTQLQIEISA-N -1 0 327.296 2.578 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(F)c1 ZINC000128453908 293103605 /nfs/dbraw/zinc/10/36/05/293103605.db2.gz VDYFGLIOAVNBPR-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc12 ZINC000152611968 293341779 /nfs/dbraw/zinc/34/17/79/293341779.db2.gz ZFJUKTUFIOXKAO-UHFFFAOYSA-N -1 0 347.787 2.592 20 30 EFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000154007752 293405249 /nfs/dbraw/zinc/40/52/49/293405249.db2.gz GSCSQWFJDJATHC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(C)c1C(=O)[O-] ZINC000156325393 293505949 /nfs/dbraw/zinc/50/59/49/293505949.db2.gz ARIHPGPZOXKNPN-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000245565201 293626635 /nfs/dbraw/zinc/62/66/35/293626635.db2.gz WLNUHGYPGFDJEZ-SHTZXODSSA-N -1 0 334.441 2.826 20 30 EFEDRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000069900514 294201626 /nfs/dbraw/zinc/20/16/26/294201626.db2.gz IFUIUJCLSSFBBK-ZCFIWIBFSA-N -1 0 329.271 2.525 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000263103173 300406508 /nfs/dbraw/zinc/40/65/08/300406508.db2.gz KEWUAYGNVAFIDT-WCQYABFASA-N -1 0 332.404 2.689 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000076935972 301957708 /nfs/dbraw/zinc/95/77/08/301957708.db2.gz AOWSMUOFNLBYPD-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#C[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332205792 303159328 /nfs/dbraw/zinc/15/93/28/303159328.db2.gz SSQGTSCCZKKPSP-GWCFXTLKSA-N -1 0 330.775 2.653 20 30 EFEDRM N#C[C@@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CCC[C@@]12CCCCO2 ZINC000366181048 303164359 /nfs/dbraw/zinc/16/43/59/303164359.db2.gz HXUZAPYFSMYBRS-YOEHRIQHSA-N -1 0 336.338 2.738 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C2CC2)cc1 ZINC000193055585 303190056 /nfs/dbraw/zinc/19/00/56/303190056.db2.gz OLCQLHMCIXRWRF-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM N#Cc1cccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000014179071 303201872 /nfs/dbraw/zinc/20/18/72/303201872.db2.gz GUEAORLUJBGRNT-NTEUORMPSA-N -1 0 343.342 2.911 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000075555087 303216790 /nfs/dbraw/zinc/21/67/90/303216790.db2.gz GZVZGSGZGVHNKQ-QWRGUYRKSA-N -1 0 345.284 2.914 20 30 EFEDRM COCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137283854 310668263 /nfs/dbraw/zinc/66/82/63/310668263.db2.gz RUKMTBQGDDCAJL-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1C#N ZINC000137676600 310669763 /nfs/dbraw/zinc/66/97/63/310669763.db2.gz LWRIKVCVIAWDDB-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1CCC(C)C ZINC000137783961 310670047 /nfs/dbraw/zinc/67/00/47/310670047.db2.gz WAQRUIYXEMBUEK-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000159910197 310692913 /nfs/dbraw/zinc/69/29/13/310692913.db2.gz QQFYDCJYBISXAE-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000164019755 310729248 /nfs/dbraw/zinc/72/92/48/310729248.db2.gz ZKUDFKZYVKMHCW-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM O=C(/C=C\c1ccc(SC(F)F)cc1)N[C@@H]1CCCN(O)C1=O ZINC000493188777 314270167 /nfs/dbraw/zinc/27/01/67/314270167.db2.gz KTVVPAJWIMCFLH-VVEJJEBESA-N -1 0 342.367 2.511 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc(C#N)cn2)s1 ZINC000547760358 318038156 /nfs/dbraw/zinc/03/81/56/318038156.db2.gz ZNLMQVLKJSFWDC-UHFFFAOYSA-N -1 0 339.355 2.594 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000547887870 318051363 /nfs/dbraw/zinc/05/13/63/318051363.db2.gz CAXNSHJUODRQDV-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@]([N-]S(=O)(=O)c1ccc(C#N)cc1F)(C1CC1)C(F)(F)F ZINC000548145810 318078086 /nfs/dbraw/zinc/07/80/86/318078086.db2.gz ANBAGZROFCQXCY-LBPRGKRZSA-N -1 0 336.310 2.707 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000548209385 318084711 /nfs/dbraw/zinc/08/47/11/318084711.db2.gz ICPODTYADBXRKC-UHFFFAOYSA-N -1 0 348.355 2.646 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548534002 318118427 /nfs/dbraw/zinc/11/84/27/318118427.db2.gz QLKYHANHZZXLGV-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CCNC(=O)Nc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000556078977 318378195 /nfs/dbraw/zinc/37/81/95/318378195.db2.gz JVLOLNQAUCDLBY-UHFFFAOYSA-N -1 0 338.367 2.966 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000558682072 318485321 /nfs/dbraw/zinc/48/53/21/318485321.db2.gz YXYXUXHHJOTEIF-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnccc1N1CCCC1 ZINC000565396100 318965347 /nfs/dbraw/zinc/96/53/47/318965347.db2.gz ZKXIGHNSMMDVHL-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM Cc1cc([C@H](NC(=O)Nc2cccc(C#N)c2)C(=O)[O-])ccc1F ZINC000567010554 319130155 /nfs/dbraw/zinc/13/01/55/319130155.db2.gz RXJQWZUQMNFTGY-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(F)c1 ZINC000568343606 319272400 /nfs/dbraw/zinc/27/24/00/319272400.db2.gz CGYQXMFEWGIPMX-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000568367882 319276678 /nfs/dbraw/zinc/27/66/78/319276678.db2.gz OSXMPYRGXVXPOJ-LSDHHAIUSA-N -1 0 344.440 2.808 20 30 EFEDRM N#Cc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c1 ZINC000570147635 319448409 /nfs/dbraw/zinc/44/84/09/319448409.db2.gz YTFAYSLVOBLUON-UHFFFAOYSA-N -1 0 327.315 2.816 20 30 EFEDRM N#Cc1c(OCC(=O)[O-])cccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000570986853 319531612 /nfs/dbraw/zinc/53/16/12/319531612.db2.gz PXDQNDBSJUUTCX-HNNXBMFYSA-N -1 0 339.347 2.856 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)n2)ccc1OC(C)C ZINC000574039924 319824112 /nfs/dbraw/zinc/82/41/12/319824112.db2.gz ZZSOQWYIUQCMMQ-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000577373948 320104789 /nfs/dbraw/zinc/10/47/89/320104789.db2.gz YSNYVEDIDWAEFW-WCQYABFASA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000577373946 320105025 /nfs/dbraw/zinc/10/50/25/320105025.db2.gz YSNYVEDIDWAEFW-AAEUAGOBSA-N -1 0 332.404 2.689 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1F ZINC000577457097 320111057 /nfs/dbraw/zinc/11/10/57/320111057.db2.gz QKMVYQOPBOMACR-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)NCCC1CCCCC1 ZINC000577746881 320140799 /nfs/dbraw/zinc/14/07/99/320140799.db2.gz KSBFLXNJLNJCQQ-QHCPKHFHSA-N -1 0 336.432 2.892 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)o1 ZINC000577973030 320161102 /nfs/dbraw/zinc/16/11/02/320161102.db2.gz XIWRSQMXZDLGOE-LBPRGKRZSA-N -1 0 336.335 2.941 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ncc(C3CCOCC3)s2)cc1[O-] ZINC000578218681 320184948 /nfs/dbraw/zinc/18/49/48/320184948.db2.gz MLGKNHZCDVKXCI-UHFFFAOYSA-N -1 0 329.381 2.867 20 30 EFEDRM N#Cc1cc(Sc2n[n-]c(=Nc3cccc(F)c3)s2)ncn1 ZINC000578301178 320192706 /nfs/dbraw/zinc/19/27/06/320192706.db2.gz IOYNYPSMINMYAV-UHFFFAOYSA-N -1 0 330.373 2.656 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1OC ZINC000005985602 323210581 /nfs/dbraw/zinc/21/05/81/323210581.db2.gz XECXSDAEUNIWAL-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1C ZINC000181142289 323228445 /nfs/dbraw/zinc/22/84/45/323228445.db2.gz VHGYXRLJYBDZDI-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1F ZINC000578951631 323845975 /nfs/dbraw/zinc/84/59/75/323845975.db2.gz KASMHHGOXJIYLR-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000579901444 324051360 /nfs/dbraw/zinc/05/13/60/324051360.db2.gz QKTFIBRSURNFBU-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000579908428 324052900 /nfs/dbraw/zinc/05/29/00/324052900.db2.gz JPJDSOSETWMZAN-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)cc1 ZINC000583213762 324764324 /nfs/dbraw/zinc/76/43/24/324764324.db2.gz FAAUGIAXRNOMOL-GFCCVEGCSA-N -1 0 329.425 2.998 20 30 EFEDRM N#Cc1nc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1C(F)(F)F ZINC000583741436 324863250 /nfs/dbraw/zinc/86/32/50/324863250.db2.gz APGADYYKOUJKGD-LKFCYVNXSA-N -1 0 325.290 2.663 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000049458566 472950542 /nfs/dbraw/zinc/95/05/42/472950542.db2.gz SELPAEJDRVZVCQ-AWEZNQCLSA-N -1 0 333.307 2.666 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1C#N ZINC000137506312 473207908 /nfs/dbraw/zinc/20/79/08/473207908.db2.gz ZYCPTJNLUPKWER-JOCHJYFZSA-N -1 0 348.449 2.546 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1C ZINC000137696933 473210375 /nfs/dbraw/zinc/21/03/75/473210375.db2.gz ZNEDMMPKAVEOMM-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1CCC(C)C ZINC000137832737 473212186 /nfs/dbraw/zinc/21/21/86/473212186.db2.gz SBTIAZAGPOCACB-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000144567999 473287380 /nfs/dbraw/zinc/28/73/80/473287380.db2.gz MQZIUFUDFJHSCL-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000610725307 469052582 /nfs/dbraw/zinc/05/25/82/469052582.db2.gz UAVLCLXHWHOKQL-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162583384 473358905 /nfs/dbraw/zinc/35/89/05/473358905.db2.gz MHVXOEFEMDCVMN-ZETCQYMHSA-N -1 0 340.189 2.970 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cn1 ZINC000150876109 473372163 /nfs/dbraw/zinc/37/21/63/473372163.db2.gz SGGNXYBSIZZHLZ-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM CCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000083956031 473377683 /nfs/dbraw/zinc/37/76/83/473377683.db2.gz SSUYUZUUCRAZOJ-UHFFFAOYSA-N -1 0 342.833 2.816 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)cs2)n1 ZINC000083939701 473374386 /nfs/dbraw/zinc/37/43/86/473374386.db2.gz QQPFIPSFJMUBPF-SECBINFHSA-N -1 0 331.378 2.743 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000083955377 473376479 /nfs/dbraw/zinc/37/64/79/473376479.db2.gz VEPZLSZUKAKWCG-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM N#Cc1ccc(CNC(=O)N=c2[n-]nc(C(F)F)s2)cc1Cl ZINC000619787669 479884783 /nfs/dbraw/zinc/88/47/83/479884783.db2.gz WRWHLSKZCOIHTG-UHFFFAOYSA-N -1 0 343.746 2.744 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000416959821 477388126 /nfs/dbraw/zinc/38/81/26/477388126.db2.gz ZIURLUBXTHZGRQ-VIFPVBQESA-N -1 0 340.298 2.811 20 30 EFEDRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613205021 479913738 /nfs/dbraw/zinc/91/37/38/479913738.db2.gz KVNZKLKSNGGTBK-DOTOQJQBSA-N -1 0 337.427 2.795 20 30 EFEDRM Cc1ncc(CO)c(/C=N/C[C@@H](c2ccccc2Cl)N(C)C)c1O ZINC000005110932 471486873 /nfs/dbraw/zinc/48/68/73/471486873.db2.gz QFQDCYPFMMLHSJ-WZIKDTQPSA-N -1 0 347.846 2.963 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2[n-]c1=S ZINC000012556434 471781541 /nfs/dbraw/zinc/78/15/41/471781541.db2.gz IOBDUORJYRLNND-UHFFFAOYSA-N -1 0 342.380 2.794 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013247879 471822040 /nfs/dbraw/zinc/82/20/40/471822040.db2.gz GBWQMCBXIOCYEV-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013301668 471824537 /nfs/dbraw/zinc/82/45/37/471824537.db2.gz GUMKNCMTHRZVGZ-UHFFFAOYSA-N -1 0 343.451 2.885 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016405773 471936014 /nfs/dbraw/zinc/93/60/14/471936014.db2.gz RCKDIFRIFWZYAM-XCVCLJGOSA-N -1 0 327.292 2.954 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000038928327 472021818 /nfs/dbraw/zinc/02/18/18/472021818.db2.gz SLSLZOOVZCCNCK-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000039670140 472025586 /nfs/dbraw/zinc/02/55/86/472025586.db2.gz IKLQOAGLUCMBQG-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2ccccc2[nH]1 ZINC000041494317 472066383 /nfs/dbraw/zinc/06/63/83/472066383.db2.gz BHZQHXPGEMRTJI-ZDUSSCGKSA-N -1 0 328.335 2.634 20 30 EFEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562825 472069660 /nfs/dbraw/zinc/06/96/60/472069660.db2.gz FDHBPFSKPORTSQ-HNNXBMFYSA-N -1 0 347.378 2.778 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1[N+](=O)[O-] ZINC000041574069 472071046 /nfs/dbraw/zinc/07/10/46/472071046.db2.gz JAKPZELPHMDDCU-GFCCVEGCSA-N -1 0 326.312 2.500 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2[N+](=O)[O-])n1 ZINC000067898348 472106256 /nfs/dbraw/zinc/10/62/56/472106256.db2.gz WWBAEDZEKFVYJF-SNVBAGLBSA-N -1 0 345.336 2.718 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(C)nc2C)n1 ZINC000067894735 472106424 /nfs/dbraw/zinc/10/64/24/472106424.db2.gz LVVHGEYVMNSGLH-VIFPVBQESA-N -1 0 335.410 2.883 20 30 EFEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC000042308398 472128625 /nfs/dbraw/zinc/12/86/25/472128625.db2.gz MWFWFBMVBYQVMS-CMDGGOBGSA-N -1 0 330.365 2.959 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000042338893 472130710 /nfs/dbraw/zinc/13/07/10/472130710.db2.gz YWBIYPCNOOBNJY-UHFFFAOYSA-N -1 0 333.365 2.541 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000042338430 472130932 /nfs/dbraw/zinc/13/09/32/472130932.db2.gz ZCNMJTUCLCULGK-HNNXBMFYSA-N -1 0 347.440 2.802 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(NC(C)=O)cc2)cc1C#N ZINC000027605373 472186008 /nfs/dbraw/zinc/18/60/08/472186008.db2.gz XURFGTVQHBQFAY-UHFFFAOYSA-N -1 0 342.380 2.591 20 30 EFEDRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000084505122 472187040 /nfs/dbraw/zinc/18/70/40/472187040.db2.gz NYSBAFACRSCQEH-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(F)c(C)c2)cc1C#N ZINC000027609771 472187687 /nfs/dbraw/zinc/18/76/87/472187687.db2.gz PDHLZJLWHZAKKE-UHFFFAOYSA-N -1 0 331.372 2.758 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000028809886 472238073 /nfs/dbraw/zinc/23/80/73/472238073.db2.gz NZQKLXCIZOHRJU-UHFFFAOYSA-N -1 0 338.291 2.681 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000044427693 472306819 /nfs/dbraw/zinc/30/68/19/472306819.db2.gz RHWUVDRZBTURPC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000029974002 472309997 /nfs/dbraw/zinc/30/99/97/472309997.db2.gz YMKPJDTWBGQJOU-UHFFFAOYSA-N -1 0 330.394 2.558 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCO2)c1 ZINC000069282666 472316411 /nfs/dbraw/zinc/31/64/11/472316411.db2.gz KKKNGEAYFAXKGE-UONOGXRCSA-N -1 0 341.429 2.533 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1C#N ZINC000076384660 472336251 /nfs/dbraw/zinc/33/62/51/472336251.db2.gz SEHWVPNCAZCWTD-RISCZKNCSA-N -1 0 349.456 2.706 20 30 EFEDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000031669215 472388718 /nfs/dbraw/zinc/38/87/18/472388718.db2.gz RYNGBYLRHXMNKF-UHFFFAOYSA-N -1 0 343.408 2.954 20 30 EFEDRM COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000096920998 472398705 /nfs/dbraw/zinc/39/87/05/472398705.db2.gz SYHQIVYKVQYSOQ-OMCISZLKSA-N -1 0 343.291 2.934 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000089530838 472456481 /nfs/dbraw/zinc/45/64/81/472456481.db2.gz JCWJTFDJLBONJN-FPYGCLRLSA-N -1 0 339.307 2.855 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000117740730 472477402 /nfs/dbraw/zinc/47/74/02/472477402.db2.gz QJWFHDPBAVHFKB-UHFFFAOYSA-N -1 0 344.318 2.616 20 30 EFEDRM CCOc1cccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000077222339 472479851 /nfs/dbraw/zinc/47/98/51/472479851.db2.gz UVAPWQFENFGREF-UHFFFAOYSA-N -1 0 343.408 2.709 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)oc1C ZINC000128688832 472484686 /nfs/dbraw/zinc/48/46/86/472484686.db2.gz LHDQFMVWXSBHNF-CYBMUJFWSA-N -1 0 348.366 2.897 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(F)cc2)c1Cl ZINC000058052607 472501795 /nfs/dbraw/zinc/50/17/95/472501795.db2.gz LYMVJKANJAYICC-QPJJXVBHSA-N -1 0 343.767 2.571 20 30 EFEDRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058080538 472503149 /nfs/dbraw/zinc/50/31/49/472503149.db2.gz JRHLIERTKNXQCE-SNVBAGLBSA-N -1 0 334.438 2.519 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000101080265 472530354 /nfs/dbraw/zinc/53/03/54/472530354.db2.gz GCOMMXKQNWYLDV-CYBMUJFWSA-N -1 0 329.743 2.596 20 30 EFEDRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000089904126 472541105 /nfs/dbraw/zinc/54/11/05/472541105.db2.gz XYWLQBGNYGVIPL-VIFPVBQESA-N -1 0 329.360 2.659 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C#N)CCCCC2)c1 ZINC000129413277 472542923 /nfs/dbraw/zinc/54/29/23/472542923.db2.gz HGTFUJFVGMZRMJ-UHFFFAOYSA-N -1 0 336.413 2.598 20 30 EFEDRM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000102115532 472565258 /nfs/dbraw/zinc/56/52/58/472565258.db2.gz ZJSIQQCPNLMITJ-ZDUSSCGKSA-N -1 0 331.397 2.752 20 30 EFEDRM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058421353 472566767 /nfs/dbraw/zinc/56/67/67/472566767.db2.gz OFCBODRJXMPBHQ-VXNVDRBHSA-N -1 0 332.303 2.878 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3ccoc3)c2)cn1 ZINC000089981037 472569692 /nfs/dbraw/zinc/56/96/92/472569692.db2.gz ICMSLWAIYCNPQY-UHFFFAOYSA-N -1 0 345.380 2.857 20 30 EFEDRM O=C(/C=C/c1cncs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000129963412 472575937 /nfs/dbraw/zinc/57/59/37/472575937.db2.gz SBJGOUPONMFHNP-DUXPYHPUSA-N -1 0 330.409 2.577 20 30 EFEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccccc1 ZINC000046708604 472588202 /nfs/dbraw/zinc/58/82/02/472588202.db2.gz JBVHDYQRLFGOAJ-ZHACJKMWSA-N -1 0 332.337 2.953 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000046708516 472588537 /nfs/dbraw/zinc/58/85/37/472588537.db2.gz WXUOQZDBXXGUGZ-FLIBITNWSA-N -1 0 332.337 2.953 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000130301318 472595772 /nfs/dbraw/zinc/59/57/72/472595772.db2.gz KCJARTKXHYZCRG-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000090166985 472605680 /nfs/dbraw/zinc/60/56/80/472605680.db2.gz YUOWMVKMLOKBSZ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000156224534 472679429 /nfs/dbraw/zinc/67/94/29/472679429.db2.gz GJKKYUNAEJBRTN-GFCCVEGCSA-N -1 0 346.184 2.696 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C)c1C(=O)[O-] ZINC000156285937 472687646 /nfs/dbraw/zinc/68/76/46/472687646.db2.gz RXYSZDNPQVDBDK-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nnc2n1CCCCC2 ZINC000078380228 472707884 /nfs/dbraw/zinc/70/78/84/472707884.db2.gz GBBOUYYPOQRHAI-SECBINFHSA-N -1 0 349.188 2.850 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000132850696 472758147 /nfs/dbraw/zinc/75/81/47/472758147.db2.gz XLTQIYCMRVBONO-UHFFFAOYSA-N -1 0 348.428 2.520 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(Cl)nc2)cc1 ZINC000091437299 472765625 /nfs/dbraw/zinc/76/56/25/472765625.db2.gz OXPAVVSMEZJTFF-XBXARRHUSA-N -1 0 347.783 2.965 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)[C@H]1COc2ccccc21 ZINC000073087452 472769328 /nfs/dbraw/zinc/76/93/28/472769328.db2.gz CXRBIXQHIGZWFY-INIZCTEOSA-N -1 0 343.404 2.997 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2sccc2-n2cnnn2)n1 ZINC000078984929 472801074 /nfs/dbraw/zinc/80/10/74/472801074.db2.gz IOSPVAIQYSJMDO-SECBINFHSA-N -1 0 344.425 2.794 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000121185163 472813377 /nfs/dbraw/zinc/81/33/77/472813377.db2.gz LOSIEQSAHQZPBO-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000063878696 472824224 /nfs/dbraw/zinc/82/42/24/472824224.db2.gz IQKGHODMFCKJOK-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000079154029 472826764 /nfs/dbraw/zinc/82/67/64/472826764.db2.gz VYNNIGQNFQXOKR-GORDUTHDSA-N -1 0 347.352 2.657 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000064479143 472858168 /nfs/dbraw/zinc/85/81/68/472858168.db2.gz RAPOVJCGVSPSIN-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)cc1 ZINC000048452923 472879503 /nfs/dbraw/zinc/87/95/03/472879503.db2.gz IWTSIQZXTOZZKW-GFCCVEGCSA-N -1 0 327.402 2.690 20 30 EFEDRM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000048529608 472885343 /nfs/dbraw/zinc/88/53/43/472885343.db2.gz DZYVQMSXPPGXRV-KHPPLWFESA-N -1 0 342.376 2.894 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C)s1 ZINC000048528065 472885943 /nfs/dbraw/zinc/88/59/43/472885943.db2.gz QNIDBJPNRBRINA-UHFFFAOYSA-N -1 0 348.446 2.617 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158136424 472896699 /nfs/dbraw/zinc/89/66/99/472896699.db2.gz OPEZRRMIIGZTMH-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000158270027 472917194 /nfs/dbraw/zinc/91/71/94/472917194.db2.gz ZHFMRUCHIHYOGS-INIZCTEOSA-N -1 0 344.392 2.527 20 30 EFEDRM N#CC(=C([O-])c1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393197 472947723 /nfs/dbraw/zinc/94/77/23/472947723.db2.gz YEYMTHNIWGHIEO-LBPRGKRZSA-N -1 0 336.380 2.749 20 30 EFEDRM CCc1nn(C)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000092697188 472965706 /nfs/dbraw/zinc/96/57/06/472965706.db2.gz VTSVLWJDPBWUMJ-LBPRGKRZSA-N -1 0 337.408 2.991 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCC#N)c1ccccc1 ZINC000107885349 472988411 /nfs/dbraw/zinc/98/84/11/472988411.db2.gz NUNNRWZOAUXLHV-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccccc2F)cc1C#N ZINC000074343962 472992905 /nfs/dbraw/zinc/99/29/05/472992905.db2.gz QGRRNMWOHLUVCK-UHFFFAOYSA-N -1 0 331.372 2.792 20 30 EFEDRM COC(=O)N1CCC(/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000122263422 472994208 /nfs/dbraw/zinc/99/42/08/472994208.db2.gz UONXZTNCLYQJFF-PXNMLYILSA-N -1 0 341.751 2.604 20 30 EFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)n(C)n1 ZINC000080286008 473010865 /nfs/dbraw/zinc/01/08/65/473010865.db2.gz FNECTDVBJYZSND-UHFFFAOYSA-N -1 0 327.450 2.758 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1F ZINC000122705270 473049038 /nfs/dbraw/zinc/04/90/38/473049038.db2.gz DNXOURCGAKVXRT-UHFFFAOYSA-N -1 0 328.343 2.692 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1C ZINC000066248090 473063868 /nfs/dbraw/zinc/06/38/68/473063868.db2.gz LRARPNYFCASIGT-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000051953584 473074818 /nfs/dbraw/zinc/07/48/18/473074818.db2.gz XGWQSKJBWSTCNH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000075128411 473134515 /nfs/dbraw/zinc/13/45/15/473134515.db2.gz NETUTDPVOJUKSZ-UHFFFAOYSA-N -1 0 349.412 2.719 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000123491778 473147959 /nfs/dbraw/zinc/14/79/59/473147959.db2.gz QZLUZMQLOYIHFZ-NSHDSACASA-N -1 0 334.445 2.871 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000110590342 473163770 /nfs/dbraw/zinc/16/37/70/473163770.db2.gz JLCXHUWRXZNNTM-SNVBAGLBSA-N -1 0 336.442 2.771 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1[N+](=O)[O-] ZINC000093930714 473164355 /nfs/dbraw/zinc/16/43/55/473164355.db2.gz RKMOFEADMHVAQS-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123664265 473171633 /nfs/dbraw/zinc/17/16/33/473171633.db2.gz AKYBWMBVXSVJJR-UHFFFAOYSA-N -1 0 329.805 2.709 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123765050 473181813 /nfs/dbraw/zinc/18/18/13/473181813.db2.gz SFURSSPBUGIQQQ-VIFPVBQESA-N -1 0 344.820 2.517 20 30 EFEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1 ZINC000160959016 473194203 /nfs/dbraw/zinc/19/42/03/473194203.db2.gz LTPYEUCGMJYVDN-UHFFFAOYSA-N -1 0 334.401 2.507 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1OC ZINC000137194089 473198384 /nfs/dbraw/zinc/19/83/84/473198384.db2.gz VJTBWMSFPUSPMR-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)c1 ZINC000123959933 473200898 /nfs/dbraw/zinc/20/08/98/473200898.db2.gz BXDNDIWEOAYSOX-UHFFFAOYSA-N -1 0 342.754 2.968 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000163208997 473423063 /nfs/dbraw/zinc/42/30/63/473423063.db2.gz IRXGGVGOBKGFDY-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125532736 473423679 /nfs/dbraw/zinc/42/36/79/473423679.db2.gz YXPSODGAURDQCF-GHMZBOCLSA-N -1 0 346.424 2.789 20 30 EFEDRM Cc1cc(-c2nnc([N-]S(=O)(=O)c3cccc(C#N)c3)o2)c(C)o1 ZINC000163247680 473426878 /nfs/dbraw/zinc/42/68/78/473426878.db2.gz JVAWQEYBQIEEJA-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(Cc3cccc(F)c3)nn2)n1 ZINC000151527757 473469610 /nfs/dbraw/zinc/46/96/10/473469610.db2.gz VLCAIENIVMYSTH-CYBMUJFWSA-N -1 0 341.371 2.721 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1C#N ZINC000185654009 473479212 /nfs/dbraw/zinc/47/92/12/473479212.db2.gz BRUIWJKFLZZHPE-QFIPXVFZSA-N -1 0 348.449 2.546 20 30 EFEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(-c2ccncc2)cs1 ZINC000114621207 473486889 /nfs/dbraw/zinc/48/68/89/473486889.db2.gz UZVNICRATHREOZ-CYBMUJFWSA-N -1 0 346.375 2.738 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)c2c(n1)CCCC2 ZINC000185718863 473497385 /nfs/dbraw/zinc/49/73/85/473497385.db2.gz PZOSIEDGMARPAP-UHFFFAOYSA-N -1 0 342.424 2.645 20 30 EFEDRM CC1CCN(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)CC1 ZINC000151838738 473498488 /nfs/dbraw/zinc/49/84/88/473498488.db2.gz ZENBRTDTRMPOCW-UHFFFAOYSA-N -1 0 332.448 2.601 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1)C(=O)[O-] ZINC000191281731 473522976 /nfs/dbraw/zinc/52/29/76/473522976.db2.gz SYCIKETXCLSIKE-IDVQTMNDSA-N -1 0 343.383 2.781 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1[N+](=O)[O-] ZINC000172183862 473543997 /nfs/dbraw/zinc/54/39/97/473543997.db2.gz MVEBWSUYVFXDLE-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000178701477 473545530 /nfs/dbraw/zinc/54/55/30/473545530.db2.gz WSQVNXIPDABZNF-UHFFFAOYSA-N -1 0 334.441 2.970 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc([N+](=O)[O-])c1 ZINC000126989091 473566152 /nfs/dbraw/zinc/56/61/52/473566152.db2.gz VXWLGSOPBPVKML-AWEZNQCLSA-N -1 0 339.355 2.711 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)c1[N+](=O)[O-] ZINC000191784450 473576486 /nfs/dbraw/zinc/57/64/86/473576486.db2.gz OXWRVJJONBELAP-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Cn1c(CCC)n[nH]c1=S ZINC000152562803 473577103 /nfs/dbraw/zinc/57/71/03/473577103.db2.gz BWVAPSZDVRDZPG-UHFFFAOYSA-N -1 0 348.403 2.683 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc2ccccc2o1 ZINC000172378870 473595275 /nfs/dbraw/zinc/59/52/75/473595275.db2.gz NOFZEQHAPLCWSR-GFCCVEGCSA-N -1 0 333.351 2.708 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000179025532 473613836 /nfs/dbraw/zinc/61/38/36/473613836.db2.gz DHCUOSUGCUFQGW-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CCO[C@@H](C)c1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000153457033 473625670 /nfs/dbraw/zinc/62/56/70/473625670.db2.gz KKPKDUWJKVMWJK-NSHDSACASA-N -1 0 347.419 2.871 20 30 EFEDRM CCCN(CCC)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153536798 473628641 /nfs/dbraw/zinc/62/86/41/473628641.db2.gz JINIFKSADVRUSH-UHFFFAOYSA-N -1 0 334.464 2.991 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000633913303 480051883 /nfs/dbraw/zinc/05/18/83/480051883.db2.gz YLDCFXYMEHKAKX-GFCCVEGCSA-N -1 0 344.371 2.768 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000172668110 473669917 /nfs/dbraw/zinc/66/99/17/473669917.db2.gz NWNWYRGDGORRJQ-GFCCVEGCSA-N -1 0 328.397 2.759 20 30 EFEDRM Cc1nn(C)cc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000179320567 473673953 /nfs/dbraw/zinc/67/39/53/473673953.db2.gz ZHIOLQXLZKJBQX-JXMROGBWSA-N -1 0 328.368 2.868 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(OC)c1OC ZINC000263258484 473746049 /nfs/dbraw/zinc/74/60/49/473746049.db2.gz ULDSHKTXQNXTAC-JSGCOSHPSA-N -1 0 347.411 2.758 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193357163 473783033 /nfs/dbraw/zinc/78/30/33/473783033.db2.gz NOSDYKLBDNOPSF-UHFFFAOYSA-N -1 0 335.316 2.601 20 30 EFEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193358024 473783756 /nfs/dbraw/zinc/78/37/56/473783756.db2.gz UDZCPYPYAUTRQQ-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)co1 ZINC000187241374 473844591 /nfs/dbraw/zinc/84/45/91/473844591.db2.gz XBPDXXRIGYYXGD-CYBMUJFWSA-N -1 0 334.339 2.589 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)CC(C)(C)C)cc2[n-]c1=S ZINC000263779243 473845200 /nfs/dbraw/zinc/84/52/00/473845200.db2.gz OIZNHLRQQQZDRY-UHFFFAOYSA-N -1 0 345.468 2.989 20 30 EFEDRM C[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F ZINC000288306209 473905264 /nfs/dbraw/zinc/90/52/64/473905264.db2.gz HHWAGZUEJMARJQ-REOHCLBHSA-N -1 0 343.195 2.611 20 30 EFEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288486159 473956993 /nfs/dbraw/zinc/95/69/93/473956993.db2.gz CNXMXJSJWXGBMH-UHFFFAOYSA-N -1 0 334.401 2.733 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCCC1 ZINC000180843524 473976098 /nfs/dbraw/zinc/97/60/98/473976098.db2.gz RXUFXMNYXYEBIF-HNNXBMFYSA-N -1 0 342.374 2.919 20 30 EFEDRM COc1ccc(-c2nnc(S(=O)(=O)CCCC(C)(C)C#N)[n-]2)cc1 ZINC000195120003 474008742 /nfs/dbraw/zinc/00/87/42/474008742.db2.gz XTSHTSNDMRUREV-UHFFFAOYSA-N -1 0 348.428 2.584 20 30 EFEDRM Cc1ccc(NC(=O)[C@H](C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000181292592 474023017 /nfs/dbraw/zinc/02/30/17/474023017.db2.gz AZYGLVIRCWFMBE-SNVBAGLBSA-N -1 0 338.289 2.694 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1[O-] ZINC000188246481 474033359 /nfs/dbraw/zinc/03/33/59/474033359.db2.gz DLTHLMBJQUCQND-UHFFFAOYSA-N -1 0 335.363 2.752 20 30 EFEDRM CC(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)CCCC#N)cc1 ZINC000274997949 474035221 /nfs/dbraw/zinc/03/52/21/474035221.db2.gz AGBPACAOQZJLPJ-OAHLLOKOSA-N -1 0 338.429 2.549 20 30 EFEDRM CNC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000188353668 474068622 /nfs/dbraw/zinc/06/86/22/474068622.db2.gz RMGDPHCXNYDGPQ-UHFFFAOYSA-N -1 0 329.743 2.529 20 30 EFEDRM COCCCOc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188357115 474070067 /nfs/dbraw/zinc/07/00/67/474070067.db2.gz MZKUZPLYKAQVBF-UHFFFAOYSA-N -1 0 326.352 2.931 20 30 EFEDRM C=CCCS(=O)(=O)N(CCC(=O)[O-])Cc1ccccc1Cl ZINC000275147761 474085944 /nfs/dbraw/zinc/08/59/44/474085944.db2.gz REJFGEILBFRTMU-UHFFFAOYSA-N -1 0 331.821 2.523 20 30 EFEDRM CCCCCOc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cc1 ZINC000270418589 474111843 /nfs/dbraw/zinc/11/18/43/474111843.db2.gz KFDMMTIILVTNGJ-JXMROGBWSA-N -1 0 343.383 2.828 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000275261187 474122264 /nfs/dbraw/zinc/12/22/64/474122264.db2.gz IWHDYEDEPSUQEX-UHFFFAOYSA-N -1 0 338.212 2.563 20 30 EFEDRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)O1 ZINC000188975237 474250924 /nfs/dbraw/zinc/25/09/24/474250924.db2.gz FYBNIEWAUYWBNO-QZTJIDSGSA-N -1 0 335.359 2.657 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCCC2)n1)c1nc(C2CC2)cs1 ZINC000634011481 480094936 /nfs/dbraw/zinc/09/49/36/480094936.db2.gz FECRVPUZMIWESK-GFCCVEGCSA-N -1 0 339.424 2.901 20 30 EFEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)s1 ZINC000183124767 474332854 /nfs/dbraw/zinc/33/28/54/474332854.db2.gz NFRGENRCFJPNCF-VIFPVBQESA-N -1 0 337.426 2.852 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183497886 474386896 /nfs/dbraw/zinc/38/68/96/474386896.db2.gz IFLUZADCSCTRCK-UHFFFAOYSA-N -1 0 335.285 2.761 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)c(C)c1 ZINC000608927235 480104516 /nfs/dbraw/zinc/10/45/16/480104516.db2.gz AFAQIZHDLLIHGH-UHFFFAOYSA-N -1 0 348.428 2.613 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@@H](C)C#N)n2)cc1 ZINC000266472962 474432956 /nfs/dbraw/zinc/43/29/56/474432956.db2.gz BEGUZDKRVLBKFO-ZDUSSCGKSA-N -1 0 326.400 2.933 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1F ZINC000184208101 474486190 /nfs/dbraw/zinc/48/61/90/474486190.db2.gz WZKNVHLIKUMEDQ-UHFFFAOYSA-N -1 0 336.392 2.725 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000276323734 474495181 /nfs/dbraw/zinc/49/51/81/474495181.db2.gz PGVJEPULBOMHLK-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000176598222 474504951 /nfs/dbraw/zinc/50/49/51/474504951.db2.gz MZCXDAATOVRMHX-UHFFFAOYSA-N -1 0 342.833 2.987 20 30 EFEDRM CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+](C)C)cc1 ZINC000189923585 474507647 /nfs/dbraw/zinc/50/76/47/474507647.db2.gz YYBLDRCGXDVBLY-GOSISDBHSA-N -1 0 337.423 2.859 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 ZINC000238032639 474525885 /nfs/dbraw/zinc/52/58/85/474525885.db2.gz DOOLIQPTIGGYHZ-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cncc(C#N)c2)s1 ZINC000290487397 474573342 /nfs/dbraw/zinc/57/33/42/474573342.db2.gz IQOPRZDRVUZMGD-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277011986 474575541 /nfs/dbraw/zinc/57/55/41/474575541.db2.gz LOUIWXDSMYTZBT-UHFFFAOYSA-N -1 0 346.324 2.797 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271647512 474583915 /nfs/dbraw/zinc/58/39/15/474583915.db2.gz HJYOGLALXNPQAT-LBPRGKRZSA-N -1 0 347.440 2.867 20 30 EFEDRM Cc1cc(Br)c(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)s1 ZINC000290992383 474589993 /nfs/dbraw/zinc/58/99/93/474589993.db2.gz UDVSTMQHDSRXNP-LLVKDONJSA-N -1 0 349.275 2.790 20 30 EFEDRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3cncc(C#N)c3)nc21 ZINC000291038687 474590515 /nfs/dbraw/zinc/59/05/15/474590515.db2.gz ZSYXKHNREAXWPC-UHFFFAOYSA-N -1 0 348.453 2.824 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277906134 474598371 /nfs/dbraw/zinc/59/83/71/474598371.db2.gz MENPOTMAMOLSOS-INIZCTEOSA-N -1 0 340.427 2.749 20 30 EFEDRM C=CCC(CC=C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC000271938555 474598544 /nfs/dbraw/zinc/59/85/44/474598544.db2.gz OBAGCMJUGLPSLH-MRXNPFEDSA-N -1 0 331.412 2.823 20 30 EFEDRM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184806964 474611937 /nfs/dbraw/zinc/61/19/37/474611937.db2.gz RAQOIDIUZYMSDH-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184816075 474614177 /nfs/dbraw/zinc/61/41/77/474614177.db2.gz TXVYJIKJDNTAAF-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)CSc1n[n-]c(=S)s1 ZINC000272575549 474617904 /nfs/dbraw/zinc/61/79/04/474617904.db2.gz GDWCTOPHIQNSBI-UHFFFAOYSA-N -1 0 341.483 2.769 20 30 EFEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340783182 474663036 /nfs/dbraw/zinc/66/30/36/474663036.db2.gz NPAGNWALRPFMNU-UHFFFAOYSA-N -1 0 326.761 2.923 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000291862271 474722989 /nfs/dbraw/zinc/72/29/89/474722989.db2.gz KDUFKUZNSLCTAQ-CYBMUJFWSA-N -1 0 331.821 2.741 20 30 EFEDRM CCn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(F)(F)F ZINC000337131719 474724324 /nfs/dbraw/zinc/72/43/24/474724324.db2.gz AFKXQEZWMGOPGJ-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000337130377 474724632 /nfs/dbraw/zinc/72/46/32/474724632.db2.gz JCOIROSEQPJNEK-UHFFFAOYSA-N -1 0 334.401 2.535 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)no1 ZINC000337142056 474734785 /nfs/dbraw/zinc/73/47/85/474734785.db2.gz SSWNKVNTIAMBIY-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1 ZINC000344630486 474772789 /nfs/dbraw/zinc/77/27/89/474772789.db2.gz HYDBLIAPMKYVJO-ZDUSSCGKSA-N -1 0 348.362 2.635 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344636287 474773878 /nfs/dbraw/zinc/77/38/78/474773878.db2.gz NWCGKWWMPRCBFB-LBPRGKRZSA-N -1 0 334.335 2.625 20 30 EFEDRM C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000344832585 474796049 /nfs/dbraw/zinc/79/60/49/474796049.db2.gz OSXBXWRSFSYZIA-VHSXEESVSA-N -1 0 343.246 2.788 20 30 EFEDRM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000344832579 474796592 /nfs/dbraw/zinc/79/65/92/474796592.db2.gz OSXBXWRSFSYZIA-NXEZZACHSA-N -1 0 343.246 2.788 20 30 EFEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)[nH]n1 ZINC000340945370 474803808 /nfs/dbraw/zinc/80/38/08/474803808.db2.gz XXEQFYUWRPNNRF-UHFFFAOYSA-N -1 0 328.353 2.651 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)o1 ZINC000340955084 474815820 /nfs/dbraw/zinc/81/58/20/474815820.db2.gz MIEZMIGJVFOUCX-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307971044 474817065 /nfs/dbraw/zinc/81/70/65/474817065.db2.gz XSNZCYQGNAASDY-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COC(=O)NCc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255252729 474824686 /nfs/dbraw/zinc/82/46/86/474824686.db2.gz UUBGOWVXYUTXBW-UHFFFAOYSA-N -1 0 329.312 2.907 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC(C)C ZINC000340971118 474832954 /nfs/dbraw/zinc/83/29/54/474832954.db2.gz FGFTZTIRXFLIMQ-UHFFFAOYSA-N -1 0 336.369 2.748 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000340974030 474836754 /nfs/dbraw/zinc/83/67/54/474836754.db2.gz ZPCJXUUAWUKWFZ-UHFFFAOYSA-N -1 0 326.328 2.535 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)o1 ZINC000341001179 474868290 /nfs/dbraw/zinc/86/82/90/474868290.db2.gz YVPYDKXXZBUIAK-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cccc(Br)c1)C(=O)[O-] ZINC000315901563 474874862 /nfs/dbraw/zinc/87/48/62/474874862.db2.gz MSWIXZUIWGWOFO-LBPRGKRZSA-N -1 0 341.205 2.668 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cc(Br)cs1)C(=O)[O-] ZINC000316696784 474881868 /nfs/dbraw/zinc/88/18/68/474881868.db2.gz VJAMRBMJDPMZIP-SNVBAGLBSA-N -1 0 347.234 2.729 20 30 EFEDRM C=C(C)CCc1noc(-c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000285076394 474885105 /nfs/dbraw/zinc/88/51/05/474885105.db2.gz JKTNIKJVQDOBCW-UHFFFAOYSA-N -1 0 328.397 2.781 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000285081553 474887449 /nfs/dbraw/zinc/88/74/49/474887449.db2.gz LDUZIWUIQUWEJZ-UTSBKAFOSA-N -1 0 328.368 2.785 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(O)c1 ZINC000318821098 474894593 /nfs/dbraw/zinc/89/45/93/474894593.db2.gz ZRSGAQOUDGVWJD-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000320140833 474907392 /nfs/dbraw/zinc/90/73/92/474907392.db2.gz LDMSFKHDYQHXSR-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1ccn(-c2ccc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)cc2)n1 ZINC000345152024 474940108 /nfs/dbraw/zinc/94/01/08/474940108.db2.gz AEMPCMQVVGNSOJ-UHFFFAOYSA-N -1 0 334.383 2.504 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000324035319 474960976 /nfs/dbraw/zinc/96/09/76/474960976.db2.gz CJUQLRTYGLPYNY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CCO[C@@H](C)c1ncc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)s1 ZINC000345182442 474969544 /nfs/dbraw/zinc/96/95/44/474969544.db2.gz AVDJZNFTPPCJFE-JTQLQIEISA-N -1 0 333.417 2.564 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000279443009 474975914 /nfs/dbraw/zinc/97/59/14/474975914.db2.gz RSCKICPUNSDETI-UHFFFAOYSA-N -1 0 348.790 2.806 20 30 EFEDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000326818683 475012439 /nfs/dbraw/zinc/01/24/39/475012439.db2.gz HZCGXEIDHUAKNA-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM O=C([N-][C@@H](CO)c1ccccc1OC(F)(F)F)C(F)(F)C(F)F ZINC000280230718 475016638 /nfs/dbraw/zinc/01/66/38/475016638.db2.gz OHSDXLISANBPEK-ZETCQYMHSA-N -1 0 349.202 2.635 20 30 EFEDRM CC1(C)C[C@]1(C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000292436977 475028245 /nfs/dbraw/zinc/02/82/45/475028245.db2.gz JKPBXPPZGAEZHU-MRXNPFEDSA-N -1 0 330.775 2.653 20 30 EFEDRM CSc1nc(=NC(=O)N2CC[C@H](C3CCOCC3)C2)s[n-]1 ZINC000328586497 475031739 /nfs/dbraw/zinc/03/17/39/475031739.db2.gz NQWWUOGBDIYGME-JTQLQIEISA-N -1 0 328.463 2.554 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NOC[C@@H](C)CC)cc2[n-]c1=S ZINC000293581444 475041132 /nfs/dbraw/zinc/04/11/32/475041132.db2.gz AYPFISAXUHDCDU-NSHDSACASA-N -1 0 347.440 2.579 20 30 EFEDRM COCCOCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000345279359 475054698 /nfs/dbraw/zinc/05/46/98/475054698.db2.gz VHXBLAFWYHCRIH-RAXLEYEMSA-N -1 0 339.395 2.674 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@H]3CCCOC3)cc2)[n-]1 ZINC000329395064 475086204 /nfs/dbraw/zinc/08/62/04/475086204.db2.gz VMSHNPAWMHEMTI-INIZCTEOSA-N -1 0 338.411 2.904 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000261990655 475139026 /nfs/dbraw/zinc/13/90/26/475139026.db2.gz CUCXUTQYUQEMKO-HZPDHXFCSA-N -1 0 342.395 2.550 20 30 EFEDRM Cc1cc(N=C([O-])CCc2nnc(C3CCCC3)o2)cn(C)c1=O ZINC000330183396 475208834 /nfs/dbraw/zinc/20/88/34/475208834.db2.gz HWLPYMNPTYMXIJ-UHFFFAOYSA-N -1 0 330.388 2.955 20 30 EFEDRM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000330310206 475225709 /nfs/dbraw/zinc/22/57/09/475225709.db2.gz UTXPXWZTZXPZNL-GXTWGEPZSA-N -1 0 336.432 2.625 20 30 EFEDRM CC(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330353749 475234518 /nfs/dbraw/zinc/23/45/18/475234518.db2.gz OUXOVKONEAMRLF-GHMZBOCLSA-N -1 0 326.466 2.645 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCC2CCC(F)(F)CC2)cc1C#N ZINC000330396119 475239294 /nfs/dbraw/zinc/23/92/94/475239294.db2.gz KEFMTBVBURIXAO-UHFFFAOYSA-N -1 0 341.383 2.936 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)cc1C(=O)[O-] ZINC000262533587 475256969 /nfs/dbraw/zinc/25/69/69/475256969.db2.gz SYGGMLFWSZZCCM-LBPRGKRZSA-N -1 0 342.351 2.584 20 30 EFEDRM CSc1nc(=NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)s[n-]1 ZINC000330709787 475268847 /nfs/dbraw/zinc/26/88/47/475268847.db2.gz WTMNETGZYVDHTI-ZJUUUORDSA-N -1 0 330.479 2.602 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@H](CC)c2c(C)nn(C)c2C)s[n-]1 ZINC000330866725 475284267 /nfs/dbraw/zinc/28/42/67/475284267.db2.gz VLFFRCJNMXQMFM-LLVKDONJSA-N -1 0 336.465 2.740 20 30 EFEDRM COCCCCc1cccnc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000361237861 475292744 /nfs/dbraw/zinc/29/27/44/475292744.db2.gz QQUKJCDRLVJXRY-UHFFFAOYSA-N -1 0 325.368 2.880 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000337785945 475322554 /nfs/dbraw/zinc/32/25/54/475322554.db2.gz XCMYRDXNXSXRCC-UHFFFAOYSA-N -1 0 344.440 2.854 20 30 EFEDRM CCc1noc(C)c1C([O-])=Nc1cc(Br)cn(C)c1=O ZINC000331208066 475322529 /nfs/dbraw/zinc/32/25/29/475322529.db2.gz FMZQQCZXYIAPSK-UHFFFAOYSA-N -1 0 340.177 2.643 20 30 EFEDRM COC(=O)C1(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCOCC1 ZINC000331354409 475344601 /nfs/dbraw/zinc/34/46/01/475344601.db2.gz POFHFHCHMBZGOC-UHFFFAOYSA-N -1 0 348.182 2.726 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2coc(C3CCCC3)n2)[n-]1 ZINC000331395929 475346723 /nfs/dbraw/zinc/34/67/23/475346723.db2.gz LHYBOUGSTBFOOK-UHFFFAOYSA-N -1 0 327.388 2.830 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000348060364 475371353 /nfs/dbraw/zinc/37/13/53/475371353.db2.gz CAPUFZODFSHIEW-UHFFFAOYSA-N -1 0 347.469 2.924 20 30 EFEDRM N#Cc1ccc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)c(F)c1 ZINC000358065099 475371244 /nfs/dbraw/zinc/37/12/44/475371244.db2.gz MBNCMJPDZMFTQP-UHFFFAOYSA-N -1 0 347.396 2.812 20 30 EFEDRM C=CCC(C)(C)CNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000352520260 475376373 /nfs/dbraw/zinc/37/63/73/475376373.db2.gz WSHGOAMNPDTHQB-UHFFFAOYSA-N -1 0 329.400 2.919 20 30 EFEDRM CCc1oncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337883165 475404762 /nfs/dbraw/zinc/40/47/62/475404762.db2.gz ZROPPVVYIQKWTC-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM Cc1csc(Nc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2)n1 ZINC000352610040 475457215 /nfs/dbraw/zinc/45/72/15/475457215.db2.gz NJFNRKMXKMXUEA-UHFFFAOYSA-N -1 0 349.379 2.914 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000352626199 475469823 /nfs/dbraw/zinc/46/98/23/475469823.db2.gz LVXPSQNLLFMWAP-UHFFFAOYSA-N -1 0 335.367 2.723 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)c2cccc(SCC#N)c2)s[n-]1 ZINC000338026932 475521478 /nfs/dbraw/zinc/52/14/78/475521478.db2.gz HZSISPHIYIALKX-SECBINFHSA-N -1 0 334.426 2.535 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccccc3F)cc1[O-])CC2 ZINC000339810736 475523667 /nfs/dbraw/zinc/52/36/67/475523667.db2.gz DBWIJISHPXVJIZ-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000345983479 475549429 /nfs/dbraw/zinc/54/94/29/475549429.db2.gz RUCRMGFEHDQJFW-MFKMUULPSA-N -1 0 343.326 2.511 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3cccc(C#N)c3)n2)nc(C)n1 ZINC000342631153 475620907 /nfs/dbraw/zinc/62/09/07/475620907.db2.gz KRVURJKRDYGHPY-MRXNPFEDSA-N -1 0 342.362 2.641 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000361652862 475632855 /nfs/dbraw/zinc/63/28/55/475632855.db2.gz YGKFEFWZCRROFI-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM C=C[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000342830587 475645764 /nfs/dbraw/zinc/64/57/64/475645764.db2.gz XIQXJHXASKOOOW-VIFPVBQESA-N -1 0 325.290 2.901 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2C)cc(C(=O)[O-])c1C ZINC000348453203 475675902 /nfs/dbraw/zinc/67/59/02/475675902.db2.gz JSMVFKIGQNJCPY-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1O ZINC000348458637 475680203 /nfs/dbraw/zinc/68/02/03/475680203.db2.gz WJKQRNBIFYCROK-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(OC)cs2)n1 ZINC000353086629 475689112 /nfs/dbraw/zinc/68/91/12/475689112.db2.gz NVAPJJVBSNCTIN-VIFPVBQESA-N -1 0 336.394 2.880 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000358510263 475736034 /nfs/dbraw/zinc/73/60/34/475736034.db2.gz FLACQXJQLHZIDG-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM Cn1nccc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000340079482 475742670 /nfs/dbraw/zinc/74/26/70/475742670.db2.gz ZMTLBGGJHCZOSN-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[nH]1 ZINC000358549148 475763259 /nfs/dbraw/zinc/76/32/59/475763259.db2.gz XGMBHLAINQNCOC-UHFFFAOYSA-N -1 0 347.762 2.872 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000355281892 475797123 /nfs/dbraw/zinc/79/71/23/475797123.db2.gz HQOJAGWNAHXYDD-UHFFFAOYSA-N -1 0 348.281 2.606 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000361857388 475813898 /nfs/dbraw/zinc/81/38/98/475813898.db2.gz GJCVPPPIKHMVQP-UHFFFAOYSA-N -1 0 334.301 2.971 20 30 EFEDRM COC(C)(C)c1nc(C)c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)s1 ZINC000361919055 475867162 /nfs/dbraw/zinc/86/71/62/475867162.db2.gz FLIZKNFQTQKCFE-UHFFFAOYSA-N -1 0 347.444 2.656 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1 ZINC000348866206 475876634 /nfs/dbraw/zinc/87/66/34/475876634.db2.gz LGYRLBOAWVHVJH-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)nc1C ZINC000348880264 475878641 /nfs/dbraw/zinc/87/86/41/475878641.db2.gz DWUQOVYPWNUVJL-UHFFFAOYSA-N -1 0 332.429 2.813 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2[n-]nc(C(F)F)s2)cc1 ZINC000348894957 475879781 /nfs/dbraw/zinc/87/97/81/475879781.db2.gz SEQOFHHYZFMYRM-UHFFFAOYSA-N -1 0 340.355 2.784 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cn(CC)c(C)n2)c1 ZINC000348907659 475881702 /nfs/dbraw/zinc/88/17/02/475881702.db2.gz LZDWCFUMQOJYGL-UHFFFAOYSA-N -1 0 335.429 2.967 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000355388472 475894379 /nfs/dbraw/zinc/89/43/79/475894379.db2.gz AXQYUUMLIOQRIP-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM CSc1cccc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)c1 ZINC000340366947 475982876 /nfs/dbraw/zinc/98/28/76/475982876.db2.gz URPIJEHEGOUEAG-UHFFFAOYSA-N -1 0 345.449 2.965 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000362134391 476021887 /nfs/dbraw/zinc/02/18/87/476021887.db2.gz OPOZXNDDRATYDB-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1[N+](=O)[O-] ZINC000338577738 476022991 /nfs/dbraw/zinc/02/29/91/476022991.db2.gz ZBVSEXSQIQPSQL-LBPRGKRZSA-N -1 0 326.312 2.500 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000349971830 476026568 /nfs/dbraw/zinc/02/65/68/476026568.db2.gz LFFAXIQTPVYQAW-UHFFFAOYSA-N -1 0 332.410 2.812 20 30 EFEDRM N#CC(=C([O-])c1cnn2ccncc12)c1nc(-c2ccncc2)cs1 ZINC000338582626 476027794 /nfs/dbraw/zinc/02/77/94/476027794.db2.gz VXHMKGKKQKMUJM-LBPRGKRZSA-N -1 0 346.375 2.738 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355836140 476065026 /nfs/dbraw/zinc/06/50/26/476065026.db2.gz CDIHIHAQQYPJRN-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c2n[nH]cc21 ZINC000355842614 476066223 /nfs/dbraw/zinc/06/62/23/476066223.db2.gz LPKDPCHYUHRAEY-UHFFFAOYSA-N -1 0 326.381 2.738 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000355847839 476066244 /nfs/dbraw/zinc/06/62/44/476066244.db2.gz SUFOJKWYZLEZJG-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2occ3c2CCC3)n1 ZINC000353591842 476107547 /nfs/dbraw/zinc/10/75/47/476107547.db2.gz NUYRUTCLXHJEEA-LLVKDONJSA-N -1 0 330.365 2.892 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000350276533 476115489 /nfs/dbraw/zinc/11/54/89/476115489.db2.gz CLJJIWQBDKJAAK-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM CC#CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000356616603 476116241 /nfs/dbraw/zinc/11/62/41/476116241.db2.gz WQUKSVGMSSIMAZ-UHFFFAOYSA-N -1 0 337.184 2.593 20 30 EFEDRM CC(=O)NC1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000299593479 476145178 /nfs/dbraw/zinc/14/51/78/476145178.db2.gz FHICUUYUSPJJLM-CAOOACKPSA-N -1 0 339.779 2.820 20 30 EFEDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000336863310 476146750 /nfs/dbraw/zinc/14/67/50/476146750.db2.gz ASYGGWNQUNOCHN-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2s1 ZINC000357025488 476166688 /nfs/dbraw/zinc/16/66/88/476166688.db2.gz HFNJVKOBJMEGFS-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2F)n[nH]c1C1CC1 ZINC000340635610 476169067 /nfs/dbraw/zinc/16/90/67/476169067.db2.gz ZSONXGHCDZNXMG-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000362360885 476194946 /nfs/dbraw/zinc/19/49/46/476194946.db2.gz VXEBOXAJUXYBAP-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cccc(OCC(F)F)n2)nc(C)n1 ZINC000340748718 476249537 /nfs/dbraw/zinc/24/95/37/476249537.db2.gz GTRDOBKKXUKIOE-NSHDSACASA-N -1 0 332.310 2.622 20 30 EFEDRM C=CCn1c(CCOc2ccccc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350600288 476262400 /nfs/dbraw/zinc/26/24/00/476262400.db2.gz QVNINNFKQXKVGA-UHFFFAOYSA-N -1 0 338.415 2.591 20 30 EFEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000340772608 476263155 /nfs/dbraw/zinc/26/31/55/476263155.db2.gz ATWUHBBJXHTZCX-UHFFFAOYSA-N -1 0 342.760 2.623 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2csc(CCc3ccccc3)n2)c1C#N ZINC000357168059 476273252 /nfs/dbraw/zinc/27/32/52/476273252.db2.gz VEXJQIAVOBNLSK-UHFFFAOYSA-N -1 0 337.408 2.506 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Br)c(Cl)c2)c1C#N ZINC000357181495 476279395 /nfs/dbraw/zinc/27/93/95/476279395.db2.gz VMSHWILJTQLXKX-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1 ZINC000360320750 476298707 /nfs/dbraw/zinc/29/87/07/476298707.db2.gz WJUZFHBQTHCYFK-LBPRGKRZSA-N -1 0 348.284 2.944 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c1C#N ZINC000357235357 476299479 /nfs/dbraw/zinc/29/94/79/476299479.db2.gz BEFTUHGRCDZUPZ-UHFFFAOYSA-N -1 0 334.383 2.573 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c1C#N ZINC000357239737 476300828 /nfs/dbraw/zinc/30/08/28/476300828.db2.gz HVEDSUJKGWPGAM-ZDUSSCGKSA-N -1 0 326.400 2.850 20 30 EFEDRM CCCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1-c1ccc(C)cc1 ZINC000357255979 476306341 /nfs/dbraw/zinc/30/63/41/476306341.db2.gz JURDISOLZKKSDI-UHFFFAOYSA-N -1 0 348.410 2.711 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1C#N ZINC000357258197 476307039 /nfs/dbraw/zinc/30/70/39/476307039.db2.gz NDNJAXLIQZBHTH-UHFFFAOYSA-N -1 0 345.362 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(C)cc(C)c2Br)c1C#N ZINC000357267344 476309755 /nfs/dbraw/zinc/30/97/55/476309755.db2.gz ZVWVEKSNQZQUJN-UHFFFAOYSA-N -1 0 333.189 2.643 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000357330920 476333953 /nfs/dbraw/zinc/33/39/53/476333953.db2.gz HZSLNXLWQIGEEJ-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM C=CCn1c([C@@H](C)Oc2ccccc2F)n[n-]c1=Nc1cnn(C)c1 ZINC000351120043 476342187 /nfs/dbraw/zinc/34/21/87/476342187.db2.gz VYYIUENYOTUCDJ-GFCCVEGCSA-N -1 0 342.378 2.642 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)n[nH]c1C1CC1 ZINC000362655996 476342548 /nfs/dbraw/zinc/34/25/48/476342548.db2.gz JJXWTEDDVPZJEC-UHFFFAOYSA-N -1 0 339.380 2.508 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(C)c1 ZINC000362658579 476343062 /nfs/dbraw/zinc/34/30/62/476343062.db2.gz RMYGVHUFFCSZFA-UHFFFAOYSA-N -1 0 346.412 2.667 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(C)c1 ZINC000362676967 476348443 /nfs/dbraw/zinc/34/84/43/476348443.db2.gz WGDDXVCVBKECTK-UHFFFAOYSA-N -1 0 330.413 2.885 20 30 EFEDRM C=CCn1c(-c2cc(-c3ccccc3)on2)n[n-]c1=Nc1cnn(C)c1 ZINC000351173365 476351381 /nfs/dbraw/zinc/35/13/81/476351381.db2.gz WRBHGUMJAZOIAB-UHFFFAOYSA-N -1 0 347.382 2.685 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000357380818 476351818 /nfs/dbraw/zinc/35/18/18/476351818.db2.gz CKMFTKYPDYLFDO-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)s1 ZINC000377337715 476356949 /nfs/dbraw/zinc/35/69/49/476356949.db2.gz PEYLHOXRFDNEEU-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000357394934 476357127 /nfs/dbraw/zinc/35/71/27/476357127.db2.gz VYPXZZQFGRBCQX-UHFFFAOYSA-N -1 0 326.377 2.878 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)c1 ZINC000360801714 476396823 /nfs/dbraw/zinc/39/68/23/476396823.db2.gz LVZNMOALBMNTIK-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000357531398 476435212 /nfs/dbraw/zinc/43/52/12/476435212.db2.gz APEWOBKTPONTBX-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000361122705 476616295 /nfs/dbraw/zinc/61/62/95/476616295.db2.gz YWGYHEAIOSMFGH-UHFFFAOYSA-N -1 0 333.369 2.691 20 30 EFEDRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000361128813 476621499 /nfs/dbraw/zinc/62/14/99/476621499.db2.gz CWDCOANNLIBYPM-UHFFFAOYSA-N -1 0 325.777 2.671 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccc(F)cc1F ZINC000354467143 476676796 /nfs/dbraw/zinc/67/67/96/476676796.db2.gz NUHDBAPUSYEVMF-GFCCVEGCSA-N -1 0 339.305 2.739 20 30 EFEDRM CC(C)(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C(F)(F)F ZINC000354469286 476677815 /nfs/dbraw/zinc/67/78/15/476677815.db2.gz QISSPKBFBCURPO-VIFPVBQESA-N -1 0 337.305 2.937 20 30 EFEDRM CC(C)(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C(F)(F)F ZINC000354469271 476677837 /nfs/dbraw/zinc/67/78/37/476677837.db2.gz QISSPKBFBCURPO-SECBINFHSA-N -1 0 337.305 2.937 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccncn2)cc(C(F)(F)F)c1 ZINC000354469343 476678621 /nfs/dbraw/zinc/67/86/21/476678621.db2.gz QPNYZURWGWGCEO-CYBMUJFWSA-N -1 0 348.284 2.944 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422630619 476723060 /nfs/dbraw/zinc/72/30/60/476723060.db2.gz CEHCFRMJIULZJO-UHFFFAOYSA-N -1 0 345.399 2.502 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000422660257 476731132 /nfs/dbraw/zinc/73/11/32/476731132.db2.gz CGACOYJWOSRSEC-OAHLLOKOSA-N -1 0 346.427 2.702 20 30 EFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccccc3F)o2)c1 ZINC000430336559 476813153 /nfs/dbraw/zinc/81/31/53/476813153.db2.gz JULANMONFLJSPE-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM C=CCCOCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414069905 476862570 /nfs/dbraw/zinc/86/25/70/476862570.db2.gz CAIZPESEZZEHKF-KRWDZBQOSA-N -1 0 339.819 2.781 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000398075793 476866861 /nfs/dbraw/zinc/86/68/61/476866861.db2.gz OMLZZJLJGRUTKS-ZDUSSCGKSA-N -1 0 337.441 2.826 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)nn1C ZINC000430603833 476878039 /nfs/dbraw/zinc/87/80/39/476878039.db2.gz LLEXPBAIKSAHPI-SNVBAGLBSA-N -1 0 332.429 2.981 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)nn1C ZINC000430603831 476878743 /nfs/dbraw/zinc/87/87/43/476878743.db2.gz LLEXPBAIKSAHPI-JTQLQIEISA-N -1 0 332.429 2.981 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000447158718 476958905 /nfs/dbraw/zinc/95/89/05/476958905.db2.gz XVBYMYXYRLMWCG-GFCCVEGCSA-N -1 0 339.413 2.513 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000447160497 476959517 /nfs/dbraw/zinc/95/95/17/476959517.db2.gz ZHRBLDRXSVXTMT-AWEZNQCLSA-N -1 0 335.425 2.603 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000431182336 476992109 /nfs/dbraw/zinc/99/21/09/476992109.db2.gz OIFJKTVDZLRGFQ-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc12 ZINC000431183004 476992440 /nfs/dbraw/zinc/99/24/40/476992440.db2.gz POXYZWLPGBFSEC-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(OC(C)(C)C)cn2)[n-]1 ZINC000410537993 477017216 /nfs/dbraw/zinc/01/72/16/477017216.db2.gz GLQOLQHLTUQOTB-UHFFFAOYSA-N -1 0 327.388 2.582 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)[nH][n-]2)o1 ZINC000447800126 477059179 /nfs/dbraw/zinc/05/91/79/477059179.db2.gz PWYHGLWZSUQVOU-GFCCVEGCSA-N -1 0 336.351 2.678 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480695 477184605 /nfs/dbraw/zinc/18/46/05/477184605.db2.gz SIGQCAUONNOHHN-IAQYHMDHSA-N -1 0 342.848 2.639 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)(C)CC#N ZINC000457989480 477275657 /nfs/dbraw/zinc/27/56/57/477275657.db2.gz NVKPGEHPGRAYNO-UHFFFAOYSA-N -1 0 337.445 2.508 20 30 EFEDRM COc1cc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)ccc1C#N ZINC000367035105 477307541 /nfs/dbraw/zinc/30/75/41/477307541.db2.gz HJTGGVAOCIPRFN-KRWDZBQOSA-N -1 0 348.362 2.660 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416839308 477330885 /nfs/dbraw/zinc/33/08/85/477330885.db2.gz NWWRNWHVKLOJIN-CQSZACIVSA-N -1 0 341.440 2.983 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435719113 477356499 /nfs/dbraw/zinc/35/64/99/477356499.db2.gz IQHQGZRQNCFMHL-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416933648 477376331 /nfs/dbraw/zinc/37/63/31/477376331.db2.gz BEWLROLFDDKEEN-SNVBAGLBSA-N -1 0 329.809 2.732 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1CC)C(=O)[O-] ZINC000448996241 477377730 /nfs/dbraw/zinc/37/77/30/477377730.db2.gz RVKZZJLNBSDHMR-OAHLLOKOSA-N -1 0 327.384 2.584 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000416942843 477379726 /nfs/dbraw/zinc/37/97/26/477379726.db2.gz SLNDLRWGGYFYOS-MRXNPFEDSA-N -1 0 349.456 2.793 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000416942840 477380148 /nfs/dbraw/zinc/38/01/48/477380148.db2.gz SLNDLRWGGYFYOS-INIZCTEOSA-N -1 0 349.456 2.793 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000416943826 477380903 /nfs/dbraw/zinc/38/09/03/477380903.db2.gz UIMPPGYTDMQCQZ-UONOGXRCSA-N -1 0 338.429 2.678 20 30 EFEDRM CCOc1cc(Br)ccc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416964101 477390754 /nfs/dbraw/zinc/39/07/54/477390754.db2.gz VNVKADKEWBYVDS-SNVBAGLBSA-N -1 0 347.234 2.892 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000416967585 477392819 /nfs/dbraw/zinc/39/28/19/477392819.db2.gz ZSMQSDGQVRFNOU-CYBMUJFWSA-N -1 0 332.385 2.658 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000416969253 477394290 /nfs/dbraw/zinc/39/42/90/477394290.db2.gz ZXMBMBHCTMUURT-ZCFIWIBFSA-N -1 0 326.271 2.610 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000371601868 477404912 /nfs/dbraw/zinc/40/49/12/477404912.db2.gz MDFRPQVGNAMQBH-UHFFFAOYSA-N -1 0 342.376 2.633 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)o1 ZINC000367296755 477437364 /nfs/dbraw/zinc/43/73/64/477437364.db2.gz ZCIKSPVKSBAJBU-UHFFFAOYSA-N -1 0 338.395 2.532 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449146876 477458985 /nfs/dbraw/zinc/45/89/85/477458985.db2.gz OTHOMQOOFGIQIE-IUODEOHRSA-N -1 0 332.400 2.721 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N(CCC#N)CCC(C)C)c1 ZINC000424642241 477462236 /nfs/dbraw/zinc/46/22/36/477462236.db2.gz KBRROPCNOJLOOB-HSZRJFAPSA-N -1 0 336.457 2.591 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)nc1Cl ZINC000367350245 477465784 /nfs/dbraw/zinc/46/57/84/477465784.db2.gz SYJBNAGCGLUQLP-UHFFFAOYSA-N -1 0 347.812 2.861 20 30 EFEDRM COC(=O)c1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000436504255 477496762 /nfs/dbraw/zinc/49/67/62/477496762.db2.gz MLDMYQXYDLQOQE-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000436612449 477532880 /nfs/dbraw/zinc/53/28/80/477532880.db2.gz YCVIRGXCICDXLN-UHFFFAOYSA-N -1 0 330.365 2.657 20 30 EFEDRM N#Cc1ccc(C(=O)CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436694837 477561090 /nfs/dbraw/zinc/56/10/90/477561090.db2.gz BRGFJJPJVORTQS-UHFFFAOYSA-N -1 0 332.718 2.669 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2ccn(CC(F)(F)F)n2)s1 ZINC000450605816 477653296 /nfs/dbraw/zinc/65/32/96/477653296.db2.gz AZXWYLXHXPWJMY-UHFFFAOYSA-N -1 0 335.380 2.609 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000420272784 477656441 /nfs/dbraw/zinc/65/64/41/477656441.db2.gz IXTCGHVNPVRETD-LLVKDONJSA-N -1 0 329.381 2.938 20 30 EFEDRM N#CCCN(C(=O)c1c([O-])cccc1F)c1ccc2c(c1)OCCO2 ZINC000436986746 477658740 /nfs/dbraw/zinc/65/87/40/477658740.db2.gz GVVRZTQTXIKIAB-UHFFFAOYSA-N -1 0 342.326 2.863 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000425250398 477675113 /nfs/dbraw/zinc/67/51/13/477675113.db2.gz FNLXLUQFXDQWQJ-ZDUSSCGKSA-N -1 0 327.327 2.756 20 30 EFEDRM C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455958867 477790360 /nfs/dbraw/zinc/79/03/60/477790360.db2.gz WHYCIYUHDIYXFT-KSSFIOAISA-N -1 0 336.391 2.814 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC#N)nc1C ZINC000451051791 477803592 /nfs/dbraw/zinc/80/35/92/477803592.db2.gz CMIYFIPITRWJFL-UHFFFAOYSA-N -1 0 338.820 2.732 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C/C=C/C)C(=O)[O-])cc1OC ZINC000493792265 477826222 /nfs/dbraw/zinc/82/62/22/477826222.db2.gz PQBAUBFWLFFEBO-VFTNXVOFSA-N -1 0 345.395 2.809 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000493874261 477868054 /nfs/dbraw/zinc/86/80/54/477868054.db2.gz WQRYMOCJVYNNGR-CMDGGOBGSA-N -1 0 340.404 2.603 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)n(CCC#N)n1 ZINC000530735232 477889688 /nfs/dbraw/zinc/88/96/88/477889688.db2.gz TUPRWIVFTIBGOU-UHFFFAOYSA-N -1 0 347.425 2.516 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(C)c1 ZINC000531577727 477906328 /nfs/dbraw/zinc/90/63/28/477906328.db2.gz UMFPZGJXIQKKKZ-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000531652828 477908170 /nfs/dbraw/zinc/90/81/70/477908170.db2.gz RAOQZHYOOJRPKG-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c(C)c1 ZINC000531907594 477914183 /nfs/dbraw/zinc/91/41/83/477914183.db2.gz KSIPCDHQSLQPLP-UHFFFAOYSA-N -1 0 331.397 2.574 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1C#N ZINC000438987425 477915040 /nfs/dbraw/zinc/91/50/40/477915040.db2.gz ALNWXMMWNODTKM-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532694600 477972232 /nfs/dbraw/zinc/97/22/32/477972232.db2.gz QLRIVODVUAFFQV-OAHLLOKOSA-N -1 0 347.411 2.516 20 30 EFEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cccc(C#N)c1C ZINC000421148687 477982727 /nfs/dbraw/zinc/98/27/27/477982727.db2.gz HBDLUGNXYRJTNT-QGZVFWFLSA-N -1 0 344.436 2.866 20 30 EFEDRM Cc1cccc(N=c2[n-]nc(Sc3cc(C#N)ncn3)s2)c1 ZINC000559489531 477985652 /nfs/dbraw/zinc/98/56/52/477985652.db2.gz URZILHOKBWQRFB-UHFFFAOYSA-N -1 0 326.410 2.825 20 30 EFEDRM N#Cc1ccc(CSc2n[n-]c(=N)n2C2CC2)c(OC(F)F)c1 ZINC000439538085 477999009 /nfs/dbraw/zinc/99/90/09/477999009.db2.gz XLNKVBUAZQOMDY-UHFFFAOYSA-N -1 0 337.355 2.791 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000533085736 478033200 /nfs/dbraw/zinc/03/32/00/478033200.db2.gz LVEUGBIXJAMAQL-LLVKDONJSA-N -1 0 340.305 2.966 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1csc2ccccc21)C(=O)[O-] ZINC000560416067 478072443 /nfs/dbraw/zinc/07/24/43/478072443.db2.gz WWIKOBVARCZNPY-NSHDSACASA-N -1 0 325.411 2.599 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N(CCC#N)CCC(C)C)s1 ZINC000429211974 478081607 /nfs/dbraw/zinc/08/16/07/478081607.db2.gz ZRSONZLXVQBLAP-UHFFFAOYSA-N -1 0 327.479 2.866 20 30 EFEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000429280909 478096580 /nfs/dbraw/zinc/09/65/80/478096580.db2.gz SREMVWRRMHRCJX-SNVBAGLBSA-N -1 0 336.273 2.779 20 30 EFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451582077 478107222 /nfs/dbraw/zinc/10/72/22/478107222.db2.gz LECNXOPMIGCRGQ-UHFFFAOYSA-N -1 0 336.335 2.581 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000517700331 478113692 /nfs/dbraw/zinc/11/36/92/478113692.db2.gz CJFRYICXZFWFGG-YPMHNXCESA-N -1 0 335.360 2.683 20 30 EFEDRM C=CCCS(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@]1(C)C(=O)[O-] ZINC000518056488 478141224 /nfs/dbraw/zinc/14/12/24/478141224.db2.gz VIHVUOINTYYPSF-DOTOQJQBSA-N -1 0 337.441 2.534 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc12 ZINC000429575611 478157773 /nfs/dbraw/zinc/15/77/73/478157773.db2.gz DORVJUUNMWXWOR-GFCCVEGCSA-N -1 0 346.350 2.855 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1 ZINC000429576026 478158356 /nfs/dbraw/zinc/15/83/56/478158356.db2.gz FURAXKIFFUBHJT-VIFPVBQESA-N -1 0 340.364 2.605 20 30 EFEDRM C=CCCS(=O)(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000518370218 478163287 /nfs/dbraw/zinc/16/32/87/478163287.db2.gz OTLZVOHDQUFOPN-AWEZNQCLSA-N -1 0 331.821 2.525 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c2n[nH]cc21 ZINC000440820374 478166493 /nfs/dbraw/zinc/16/64/93/478166493.db2.gz NZOQGTVXYQLMLW-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000518885841 478197376 /nfs/dbraw/zinc/19/73/76/478197376.db2.gz BAEOLPSPAXEFRX-GDZNZVCISA-N -1 0 326.437 2.689 20 30 EFEDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000495487099 478207119 /nfs/dbraw/zinc/20/71/19/478207119.db2.gz LUSIAZURZOZONK-UHFFFAOYSA-N -1 0 345.380 2.846 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H](C)CC#N)s1 ZINC000519257604 478216824 /nfs/dbraw/zinc/21/68/24/478216824.db2.gz UELWEEKASZLNPM-SNVBAGLBSA-N -1 0 333.392 2.840 20 30 EFEDRM CC(C)(C)OC(=O)NC(C)(C)C=NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000495589009 478239131 /nfs/dbraw/zinc/23/91/31/478239131.db2.gz OEGARSVWEOYOLW-UHFFFAOYSA-N -1 0 347.341 2.618 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000562429706 478247827 /nfs/dbraw/zinc/24/78/27/478247827.db2.gz FDCGNGQBNUVSOP-HOCLYGCPSA-N -1 0 348.443 2.698 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC000562431808 478248280 /nfs/dbraw/zinc/24/82/80/478248280.db2.gz UQUVHAXBNOCTBF-CVEARBPZSA-N -1 0 346.427 2.754 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000562458875 478253092 /nfs/dbraw/zinc/25/30/92/478253092.db2.gz HMGRGBAYGVBFCS-MLGOLLRUSA-N -1 0 332.400 2.791 20 30 EFEDRM CCC[C@@H](CCCCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000562465457 478253500 /nfs/dbraw/zinc/25/35/00/478253500.db2.gz GYIBQBNWCCWKET-AWEZNQCLSA-N -1 0 338.429 2.508 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2c1CCCC2 ZINC000562577239 478270346 /nfs/dbraw/zinc/27/03/46/478270346.db2.gz AQDJHNJRPHHYDJ-ZDUSSCGKSA-N -1 0 331.379 2.732 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000562648072 478296965 /nfs/dbraw/zinc/29/69/65/478296965.db2.gz MJYBNQLPLQQEFR-LBPRGKRZSA-N -1 0 326.780 2.567 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594257800 478307312 /nfs/dbraw/zinc/30/73/12/478307312.db2.gz CQTBZAPPJXJQPR-VIFPVBQESA-N -1 0 336.317 2.848 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000590743421 478314356 /nfs/dbraw/zinc/31/43/56/478314356.db2.gz XJQIBAHPZPQOEZ-UHFFFAOYSA-N -1 0 331.397 2.656 20 30 EFEDRM N#CC1(NC(=O)c2cccc(Br)c2[O-])CCSCC1 ZINC000537667550 478323519 /nfs/dbraw/zinc/32/35/19/478323519.db2.gz WUZDLQOTWBYEKD-UHFFFAOYSA-N -1 0 341.230 2.674 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)[n-]1 ZINC000590822375 478355486 /nfs/dbraw/zinc/35/54/86/478355486.db2.gz SPXSCYTXSZECTJ-WFASDCNBSA-N -1 0 343.818 2.825 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000580409751 478361777 /nfs/dbraw/zinc/36/17/77/478361777.db2.gz LANOYYLKVLYCBS-JKSUJKDBSA-N -1 0 348.399 2.785 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)[O-] ZINC000581235381 478376603 /nfs/dbraw/zinc/37/66/03/478376603.db2.gz JXRBVPHYWKSAFP-IXDOHACOSA-N -1 0 346.427 2.873 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000521620681 478376973 /nfs/dbraw/zinc/37/69/73/478376973.db2.gz PZOIRCDWPDVCAK-UHFFFAOYSA-N -1 0 347.383 2.538 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000597496611 478379071 /nfs/dbraw/zinc/37/90/71/478379071.db2.gz OSKVAUFVSCRYKR-KRWDZBQOSA-N -1 0 344.802 2.997 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)nc1 ZINC000523311744 478385262 /nfs/dbraw/zinc/38/52/62/478385262.db2.gz FYAAFEXWPGUQPO-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000523530142 478387163 /nfs/dbraw/zinc/38/71/63/478387163.db2.gz BIKZOEPHMAFFNO-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C(F)F ZINC000524076963 478388253 /nfs/dbraw/zinc/38/82/53/478388253.db2.gz MKKAFOGOGZARDD-SECBINFHSA-N -1 0 329.310 2.734 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCC#Cc3ccccc3)n2)c1 ZINC000539067064 478400904 /nfs/dbraw/zinc/40/09/04/478400904.db2.gz OOYWZUHMCXFZJS-UHFFFAOYSA-N -1 0 349.365 2.807 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c(F)c1 ZINC000526127258 478404945 /nfs/dbraw/zinc/40/49/45/478404945.db2.gz ZKEJOHVUQBTKKJ-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1 ZINC000527292223 478420412 /nfs/dbraw/zinc/42/04/12/478420412.db2.gz LWJCPEOFSHJSLU-UHFFFAOYSA-N -1 0 336.392 2.810 20 30 EFEDRM CC(C)[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)C(=O)[O-] ZINC000594540195 478429139 /nfs/dbraw/zinc/42/91/39/478429139.db2.gz DWQGHFSTWZRZCX-JTQLQIEISA-N -1 0 337.301 2.714 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000570796625 478448458 /nfs/dbraw/zinc/44/84/58/478448458.db2.gz HQGJKPOGVORLFA-BBRMVZONSA-N -1 0 334.416 2.735 20 30 EFEDRM COC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000491141829 478451328 /nfs/dbraw/zinc/45/13/28/478451328.db2.gz RZXSBDHEINZZJA-OAHLLOKOSA-N -1 0 343.383 2.636 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597660286 478453545 /nfs/dbraw/zinc/45/35/45/478453545.db2.gz KJQZLDSZZDFDOT-UHFFFAOYSA-N -1 0 348.353 2.916 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c(C#N)cn1 ZINC000600674768 478463567 /nfs/dbraw/zinc/46/35/67/478463567.db2.gz HTEAZSOFHDQQBA-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(C#N)cn1 ZINC000600678367 478466418 /nfs/dbraw/zinc/46/64/18/478466418.db2.gz OPNHTISLXGAELL-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000594688106 478494644 /nfs/dbraw/zinc/49/46/44/478494644.db2.gz VXVWMPBTOSTEMG-ZACQAIPSSA-N -1 0 341.411 2.528 20 30 EFEDRM N#CC1(CNC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CCCCC1 ZINC000594690627 478496418 /nfs/dbraw/zinc/49/64/18/478496418.db2.gz MEGFIFNSSLKSIF-ZNMIVQPWSA-N -1 0 333.432 2.888 20 30 EFEDRM N#CC1(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000594690626 478496433 /nfs/dbraw/zinc/49/64/33/478496433.db2.gz MEGFIFNSSLKSIF-KKUMJFAQSA-N -1 0 333.432 2.888 20 30 EFEDRM C=CCCSCCNC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000594691537 478496596 /nfs/dbraw/zinc/49/65/96/478496596.db2.gz VSRUYYHGWXOIRC-HNNXBMFYSA-N -1 0 334.441 2.689 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CCCCC1 ZINC000594691471 478496812 /nfs/dbraw/zinc/49/68/12/478496812.db2.gz UHLGDINDSIIIOK-MRXNPFEDSA-N -1 0 341.411 2.854 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000594691009 478496865 /nfs/dbraw/zinc/49/68/65/478496865.db2.gz PDGLMROCGSTQGY-QGZVFWFLSA-N -1 0 343.427 2.824 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594694330 478500253 /nfs/dbraw/zinc/50/02/53/478500253.db2.gz JGVXDUDQUOBGKP-INIZCTEOSA-N -1 0 338.429 2.514 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594703158 478503808 /nfs/dbraw/zinc/50/38/08/478503808.db2.gz BDJUTHGYKMEUBW-MRXNPFEDSA-N -1 0 338.429 2.514 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000594721831 478512581 /nfs/dbraw/zinc/51/25/81/478512581.db2.gz ZUUNGFMZTYKSPY-UHFFFAOYSA-N -1 0 343.470 2.589 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)c1 ZINC000594723514 478514146 /nfs/dbraw/zinc/51/41/46/478514146.db2.gz AWHRYVGPKAZUFC-CYBMUJFWSA-N -1 0 345.424 2.662 20 30 EFEDRM C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C1CCC1 ZINC000591327336 478523916 /nfs/dbraw/zinc/52/39/16/478523916.db2.gz BHRXKBJCJOWHMN-SECBINFHSA-N -1 0 343.246 2.788 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)CCCO ZINC000594761743 478534631 /nfs/dbraw/zinc/53/46/31/478534631.db2.gz WLVPWSPVRZKPSW-SNVBAGLBSA-N -1 0 338.454 2.521 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000600878543 478549018 /nfs/dbraw/zinc/54/90/18/478549018.db2.gz XPABHVSMVFRUHL-BBRMVZONSA-N -1 0 344.411 2.723 20 30 EFEDRM C#CCN(C)c1cnc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cn1 ZINC000491494344 478566136 /nfs/dbraw/zinc/56/61/36/478566136.db2.gz BVXSFVXHKRFAGD-UHFFFAOYSA-N -1 0 341.758 2.622 20 30 EFEDRM CC#CCCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000541772391 478589576 /nfs/dbraw/zinc/58/95/76/478589576.db2.gz YYNNQJOYAPFOMV-UHFFFAOYSA-N -1 0 332.454 2.787 20 30 EFEDRM N#Cc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1 ZINC000600983921 478596877 /nfs/dbraw/zinc/59/68/77/478596877.db2.gz MTRBHDPNUICQIH-QZTJIDSGSA-N -1 0 349.390 2.615 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3c2OCCC3)s1 ZINC000582463149 478602340 /nfs/dbraw/zinc/60/23/40/478602340.db2.gz RUQCLZJDQGIPRN-SNVBAGLBSA-N -1 0 330.413 2.910 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496236113 478629988 /nfs/dbraw/zinc/62/99/88/478629988.db2.gz VDOCNWOUYJRNMC-KGLIPLIRSA-N -1 0 336.388 2.874 20 30 EFEDRM C[C@H]1C[C@H]1c1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)o1 ZINC000601063464 478636669 /nfs/dbraw/zinc/63/66/69/478636669.db2.gz BHDWEMNXQVUKCW-SUMWQHHRSA-N -1 0 333.395 2.948 20 30 EFEDRM C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)o1 ZINC000601063462 478636676 /nfs/dbraw/zinc/63/66/76/478636676.db2.gz BHDWEMNXQVUKCW-DYVFJYSZSA-N -1 0 333.395 2.948 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000491695852 478637794 /nfs/dbraw/zinc/63/77/94/478637794.db2.gz IFFDGBAQHQCKSG-MRVPVSSYSA-N -1 0 338.795 2.905 20 30 EFEDRM CC[C@@H](NN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000496311288 478646456 /nfs/dbraw/zinc/64/64/56/478646456.db2.gz OCDHKHFCHRLYIP-CHWSQXEVSA-N -1 0 327.425 2.605 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=NNCC(=O)[O-] ZINC000496425748 478657634 /nfs/dbraw/zinc/65/76/34/478657634.db2.gz SIPQCFVBRKXPRV-TZMCWYRMSA-N -1 0 339.436 2.606 20 30 EFEDRM C[C@H](C#N)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000598132540 478673514 /nfs/dbraw/zinc/67/35/14/478673514.db2.gz TZSFNSPRYJPRHA-SNVBAGLBSA-N -1 0 330.775 2.748 20 30 EFEDRM C[C@@H](C#N)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000598132537 478673575 /nfs/dbraw/zinc/67/35/75/478673575.db2.gz TZSFNSPRYJPRHA-JTQLQIEISA-N -1 0 330.775 2.748 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496607198 478674177 /nfs/dbraw/zinc/67/41/77/478674177.db2.gz PXLOBGUOXIULDA-GFCCVEGCSA-N -1 0 344.477 2.741 20 30 EFEDRM Cc1cccc(-c2nc(=NCC3CCN(CC#N)CC3)s[n-]2)c1 ZINC000601127944 478674565 /nfs/dbraw/zinc/67/45/65/478674565.db2.gz WNUDWFOJAUOJDO-UHFFFAOYSA-N -1 0 327.457 2.583 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@H](C)C#N)C3CC3)n2)c1 ZINC000598138759 478674913 /nfs/dbraw/zinc/67/49/13/478674913.db2.gz VIJRXXIIAYRJNB-LLVKDONJSA-N -1 0 328.347 2.542 20 30 EFEDRM CN(CCCCN=Nc1ccc(C(=O)[O-])nc1)C(=O)OC(C)(C)C ZINC000496642267 478677985 /nfs/dbraw/zinc/67/79/85/478677985.db2.gz HJZAVHUSCDCWHX-UHFFFAOYSA-N -1 0 336.392 2.825 20 30 EFEDRM CC[C@H](NN=C1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000496653153 478678695 /nfs/dbraw/zinc/67/86/95/478678695.db2.gz ZQUUWBZCSGYQSM-YUZLPWPTSA-N -1 0 327.425 2.510 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000496716971 478686374 /nfs/dbraw/zinc/68/63/74/478686374.db2.gz OFSQDWWOEPDSKR-LLVKDONJSA-N -1 0 335.408 2.583 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CC(=NN=c2ccc(Cl)n[n-]2)C1(C)C ZINC000496759925 478691588 /nfs/dbraw/zinc/69/15/88/478691588.db2.gz RRWOYQNSBFTBMT-VIFPVBQESA-N -1 0 339.827 2.643 20 30 EFEDRM COc1cc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc1C#N ZINC000595263890 478707445 /nfs/dbraw/zinc/70/74/45/478707445.db2.gz WOVLGYXDHGBTEX-AWEZNQCLSA-N -1 0 347.415 2.503 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497020103 478718954 /nfs/dbraw/zinc/71/89/54/478718954.db2.gz UHAQKCAGRZRUIB-UKRRQHHQSA-N -1 0 334.416 2.917 20 30 EFEDRM CC(CCCNC(=O)OC(C)(C)C)=NN=c1ccc(Cl)n[n-]1 ZINC000497257023 478744607 /nfs/dbraw/zinc/74/46/07/478744607.db2.gz KTYMGWPXFTVIDS-UHFFFAOYSA-N -1 0 327.816 2.645 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]OC1CCCCC1 ZINC000497279024 478746417 /nfs/dbraw/zinc/74/64/17/478746417.db2.gz MZDUGNKPVJJFLD-AWEZNQCLSA-N -1 0 339.436 2.954 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC000572117980 478755806 /nfs/dbraw/zinc/75/58/06/478755806.db2.gz HNPOLPVDWFOUSW-UHFFFAOYSA-N -1 0 338.429 2.537 20 30 EFEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000564622045 478768930 /nfs/dbraw/zinc/76/89/30/478768930.db2.gz RRUCRCCYSROKQK-SNVBAGLBSA-N -1 0 337.305 2.937 20 30 EFEDRM CC1(C(=O)[O-])CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000592212406 478828834 /nfs/dbraw/zinc/82/88/34/478828834.db2.gz WICBBKMUZCOTFH-UHFFFAOYSA-N -1 0 335.791 2.608 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(CC)C(=O)[O-])cc1OC ZINC000492143688 478845235 /nfs/dbraw/zinc/84/52/35/478845235.db2.gz XWKIWAXJWOZTEV-IZTUGPKFSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC2(CC(=O)[O-])CCC2)cc1OC ZINC000492159342 478852573 /nfs/dbraw/zinc/85/25/73/478852573.db2.gz YLIUAOCXOYRTID-VURMDHGXSA-N -1 0 345.395 2.787 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000583452553 478855970 /nfs/dbraw/zinc/85/59/70/478855970.db2.gz OXMRVQAZIFQJHQ-HOMQSWHASA-N -1 0 343.301 2.863 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000592401428 478884985 /nfs/dbraw/zinc/88/49/85/478884985.db2.gz GTNKZGUIVBWTFU-NSHDSACASA-N -1 0 327.365 2.692 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592420431 478889449 /nfs/dbraw/zinc/88/94/49/478889449.db2.gz CGNUTWIWMJPPBV-APPZFPTMSA-N -1 0 335.285 2.611 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3C[C@H](C(=O)[O-])C[C@H](C)C3)c2c1 ZINC000592421188 478890923 /nfs/dbraw/zinc/89/09/23/478890923.db2.gz QDQCSRNXMYMVAC-NWDGAFQWSA-N -1 0 325.368 2.662 20 30 EFEDRM CC[C@H](Cc1ccccc1Br)C(=O)N=c1[nH][n-]cc1C#N ZINC000601637671 478920804 /nfs/dbraw/zinc/92/08/04/478920804.db2.gz AKMUUKHHNPTAEB-SNVBAGLBSA-N -1 0 347.216 2.673 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000492329376 478934315 /nfs/dbraw/zinc/93/43/15/478934315.db2.gz KVTMBRXHQXETSA-FUKWUPMWSA-N -1 0 345.395 2.643 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000572896307 478946633 /nfs/dbraw/zinc/94/66/33/478946633.db2.gz YOGXDBBTQISVED-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnc3n2CCCC3)ccc1Cl ZINC000565286166 478968373 /nfs/dbraw/zinc/96/83/73/478968373.db2.gz HCZSQOUXAVYKRK-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000528903392 478979254 /nfs/dbraw/zinc/97/92/54/478979254.db2.gz IOLGUGJAJMCZIM-UHFFFAOYSA-N -1 0 330.409 2.975 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000573065590 478980620 /nfs/dbraw/zinc/98/06/20/478980620.db2.gz MWFHAEADBNQGLM-WMLDXEAASA-N -1 0 348.443 2.696 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000528909163 478982206 /nfs/dbraw/zinc/98/22/06/478982206.db2.gz KZJNRNMHBIYRRK-UHFFFAOYSA-N -1 0 334.441 2.700 20 30 EFEDRM C[C@H](c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1)c1ccccc1 ZINC000528917495 478984816 /nfs/dbraw/zinc/98/48/16/478984816.db2.gz UONJRUNMVYQOBS-DZGCQCFKSA-N -1 0 336.395 2.506 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2csnn2)cc1 ZINC000528925610 478988637 /nfs/dbraw/zinc/98/86/37/478988637.db2.gz ZRBUFQDQCWEFME-CQSZACIVSA-N -1 0 340.408 2.586 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000545998971 478992417 /nfs/dbraw/zinc/99/24/17/478992417.db2.gz DPFKQRMRILJBCE-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2cnc(C)s2)cc1C#N ZINC000601771669 478993633 /nfs/dbraw/zinc/99/36/33/478993633.db2.gz KACCBHJTCVJBHK-ZETCQYMHSA-N -1 0 334.426 2.637 20 30 EFEDRM Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000492524020 479005503 /nfs/dbraw/zinc/00/55/03/479005503.db2.gz ZETJXJHHPXGKTJ-HJWRWDBZSA-N -1 0 332.425 2.538 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cnn(C2CC2)c1 ZINC000528994620 479013300 /nfs/dbraw/zinc/01/33/00/479013300.db2.gz GRCSZJVTWOKIMW-HNNXBMFYSA-N -1 0 342.786 2.510 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC(C)(c3ccccc3)C2)cc1C#N ZINC000598781371 479024186 /nfs/dbraw/zinc/02/41/86/479024186.db2.gz OONJSEXJQXZRFQ-UHFFFAOYSA-N -1 0 339.420 2.794 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21 ZINC000529031812 479025030 /nfs/dbraw/zinc/02/50/30/479025030.db2.gz IMEUYAUJGLLFKI-HNNXBMFYSA-N -1 0 334.441 2.840 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)CCC1CCCCC1)C(=O)[O-] ZINC000514584175 479027553 /nfs/dbraw/zinc/02/75/53/479027553.db2.gz ZJHBTNWMFOBNHN-ZFWWWQNUSA-N -1 0 326.437 2.690 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc3c(c2)C(C)(C)CO3)[n-]1 ZINC000573264452 479028012 /nfs/dbraw/zinc/02/80/12/479028012.db2.gz VNOZERANCUCTOO-UHFFFAOYSA-N -1 0 338.411 2.854 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000492992263 479029129 /nfs/dbraw/zinc/02/91/29/479029129.db2.gz QGOJNSNUBUGKBX-PGJNLMOESA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C\c1ccc(OC)c(OCC)c1)C(=O)[O-] ZINC000493118292 479035385 /nfs/dbraw/zinc/03/53/85/479035385.db2.gz LSYUZXCLVDBOMP-FPAJZGIOSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(F)c(F)c2)CC1 ZINC000493336186 479045695 /nfs/dbraw/zinc/04/56/95/479045695.db2.gz ONXOVCVXNXTHFP-GQCTYLIASA-N -1 0 327.352 2.533 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(F)c(F)c2)CC1 ZINC000493336187 479045706 /nfs/dbraw/zinc/04/57/06/479045706.db2.gz ONXOVCVXNXTHFP-XQRVVYSFSA-N -1 0 327.352 2.533 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C\c1ccccc1OC(F)F)C(=O)[O-] ZINC000493518252 479054511 /nfs/dbraw/zinc/05/45/11/479054511.db2.gz KVOUCKZLNVODAJ-PRDAAYKISA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccccc1OC(F)F)C(=O)[O-] ZINC000493518254 479054679 /nfs/dbraw/zinc/05/46/79/479054679.db2.gz KVOUCKZLNVODAJ-ZWLSGLHFSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1OCC1CC1)C(=O)[O-] ZINC000573420647 479061743 /nfs/dbraw/zinc/06/17/43/479061743.db2.gz BVCOYFHVQPTBTN-HNNXBMFYSA-N -1 0 332.400 2.694 20 30 EFEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000546859534 479078009 /nfs/dbraw/zinc/07/80/09/479078009.db2.gz KPMYKNBVLJKORY-CYBMUJFWSA-N -1 0 332.367 2.671 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000565878347 479081427 /nfs/dbraw/zinc/08/14/27/479081427.db2.gz SWLJWDBKJXWVOI-OIISXLGYSA-N -1 0 346.427 2.710 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NCC3(C(=O)[O-])CCC3)c2c1 ZINC000595971142 479084738 /nfs/dbraw/zinc/08/47/38/479084738.db2.gz HJKMULNXBXUGMO-UHFFFAOYSA-N -1 0 341.367 2.790 20 30 EFEDRM CCn1cc(-c2cc(=O)n(-c3ccc(C#N)cc3C(F)(F)F)[n-]2)cn1 ZINC000601950539 479090768 /nfs/dbraw/zinc/09/07/68/479090768.db2.gz VLBFCKAQFAAJHM-UHFFFAOYSA-N -1 0 347.300 2.934 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(Cl)cc1OCC)C(=O)[O-] ZINC000573564567 479094024 /nfs/dbraw/zinc/09/40/24/479094024.db2.gz YIIWDEGHWHBGJT-ZDUSSCGKSA-N -1 0 340.807 2.957 20 30 EFEDRM COC[C@@H](C)Oc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000596012765 479095860 /nfs/dbraw/zinc/09/58/60/479095860.db2.gz WVTYACMYLZOCCA-KIWPFMIBSA-N -1 0 339.395 2.924 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC000566971269 479100085 /nfs/dbraw/zinc/10/00/85/479100085.db2.gz KTDWXUAGKCTNSF-UHFFFAOYSA-N -1 0 337.422 2.940 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601975103 479104473 /nfs/dbraw/zinc/10/44/73/479104473.db2.gz GSHDQSAHYIJKDP-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)cc1 ZINC000601976365 479104713 /nfs/dbraw/zinc/10/47/13/479104713.db2.gz PQVLQOCAHSHIDU-UHFFFAOYSA-N -1 0 330.413 2.865 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cn1CC1CC1 ZINC000596045055 479105749 /nfs/dbraw/zinc/10/57/49/479105749.db2.gz ZENJIXQVORLSJI-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601985331 479111806 /nfs/dbraw/zinc/11/18/06/479111806.db2.gz LAYKHHFUZLXMBS-WDEREUQCSA-N -1 0 336.413 2.879 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596058433 479112740 /nfs/dbraw/zinc/11/27/40/479112740.db2.gz ICWOXBNKMNYVJD-LLVKDONJSA-N -1 0 333.413 2.925 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000547905303 479121301 /nfs/dbraw/zinc/12/13/01/479121301.db2.gz LBYXJMRLHKXTCS-UHFFFAOYSA-N -1 0 343.788 2.656 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000568216668 479122127 /nfs/dbraw/zinc/12/21/27/479122127.db2.gz YELYEWNYWVSSTK-GOSISDBHSA-N -1 0 337.383 2.898 20 30 EFEDRM Cc1cc(=NC(=O)c2cccc(C(F)(F)F)c2[O-])[nH]n1CCC#N ZINC000573695666 479123910 /nfs/dbraw/zinc/12/39/10/479123910.db2.gz GHQBWEYJNFCAOB-UHFFFAOYSA-N -1 0 338.289 2.504 20 30 EFEDRM N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCCCC2)CCCCC1 ZINC000548243188 479124579 /nfs/dbraw/zinc/12/45/79/479124579.db2.gz OYOCSLVWTFOZLJ-UHFFFAOYSA-N -1 0 342.461 2.510 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000602001868 479128897 /nfs/dbraw/zinc/12/88/97/479128897.db2.gz SCXWCZXGOKHFNH-IXDOHACOSA-N -1 0 326.396 2.943 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)/C=C\c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000493726433 479132857 /nfs/dbraw/zinc/13/28/57/479132857.db2.gz RCWMALUIXPWJSS-HWYHOQROSA-N -1 0 344.411 2.998 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000493726435 479133487 /nfs/dbraw/zinc/13/34/87/479133487.db2.gz RCWMALUIXPWJSS-YXMGTMDOSA-N -1 0 344.411 2.998 20 30 EFEDRM C=CCOc1cccc(NC(=O)N(CCC)[C@@H](COC)C(=O)[O-])c1 ZINC000569069092 479133846 /nfs/dbraw/zinc/13/38/46/479133846.db2.gz UGQULDGJUICVBT-HNNXBMFYSA-N -1 0 336.388 2.595 20 30 EFEDRM COC[C@@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000602010578 479134278 /nfs/dbraw/zinc/13/42/78/479134278.db2.gz FRTWVXLPCUVFTG-QGZVFWFLSA-N -1 0 345.786 2.687 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(CC)c(CC)c1)C(=O)[O-] ZINC000569183050 479137334 /nfs/dbraw/zinc/13/73/34/479137334.db2.gz WMFWRRWWNFPUIR-HNNXBMFYSA-N -1 0 325.430 2.509 20 30 EFEDRM CSc1cccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)c1 ZINC000554617738 479159234 /nfs/dbraw/zinc/15/92/34/479159234.db2.gz LZSJRXYMQTWLBY-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000610725198 479167407 /nfs/dbraw/zinc/16/74/07/479167407.db2.gz MLMRYNVQPBJOJR-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1)C(=O)[O-] ZINC000573897331 479167680 /nfs/dbraw/zinc/16/76/80/479167680.db2.gz ASIHEXXOIKRTGB-QLFBSQMISA-N -1 0 326.437 2.689 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2oc(C)c(C)c2c1)C(=O)[O-] ZINC000556708187 479179689 /nfs/dbraw/zinc/17/96/89/479179689.db2.gz AOHDSBOCDYNBDV-CQSZACIVSA-N -1 0 332.356 2.827 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000556709542 479181617 /nfs/dbraw/zinc/18/16/17/479181617.db2.gz STAKCYCOSYHPPL-CZUORRHYSA-N -1 0 347.390 2.957 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3F)s2)C1 ZINC000603082213 479237060 /nfs/dbraw/zinc/23/70/60/479237060.db2.gz UUPOTOLRIQJAKG-DTWKUNHWSA-N -1 0 349.366 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1Cl ZINC000557083350 479253781 /nfs/dbraw/zinc/25/37/81/479253781.db2.gz FGMDGMSANYJZDT-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1C#N ZINC000610999518 479258330 /nfs/dbraw/zinc/25/83/30/479258330.db2.gz BFKQMEVPZRZRAK-UHFFFAOYSA-N -1 0 344.392 2.829 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000574353097 479270531 /nfs/dbraw/zinc/27/05/31/479270531.db2.gz ZCPRQXNIBQJSRN-LBPRGKRZSA-N -1 0 330.287 2.733 20 30 EFEDRM C=CC[C@H]1N(C(=O)N=c2nc3nc(C)cc(C)n3[n-]2)CCCC1(C)C ZINC000574592478 479313421 /nfs/dbraw/zinc/31/34/21/479313421.db2.gz KCWWBUCFGRAXRD-CQSZACIVSA-N -1 0 342.447 2.762 20 30 EFEDRM Cc1cc(C)cc(C2=CCN(C(=O)N=c3[n-]n(C)cc3C#N)CC2)c1 ZINC000611283117 479336629 /nfs/dbraw/zinc/33/66/29/479336629.db2.gz MBUKDNASSGITDA-UHFFFAOYSA-N -1 0 335.411 2.652 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(F)c1 ZINC000611437624 479380210 /nfs/dbraw/zinc/38/02/10/479380210.db2.gz MNRSCEHRPXEMAP-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000611443974 479382936 /nfs/dbraw/zinc/38/29/36/479382936.db2.gz BCUSIRKRWLYDQU-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000611498246 479396606 /nfs/dbraw/zinc/39/66/06/479396606.db2.gz SFIWKYMDEIYILV-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@](C)(c3ccccc3)CC2)[n-]1 ZINC000588259910 479410925 /nfs/dbraw/zinc/41/09/25/479410925.db2.gz RAZWCCKSKDGDQY-LJQANCHMSA-N -1 0 337.427 2.689 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)[n-]1 ZINC000588259835 479411112 /nfs/dbraw/zinc/41/11/12/479411112.db2.gz NNDIQEURFKGJRD-BBWFWOEESA-N -1 0 335.411 2.514 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)[n-]1 ZINC000588259842 479411171 /nfs/dbraw/zinc/41/11/71/479411171.db2.gz NNDIQEURFKGJRD-ZACQAIPSSA-N -1 0 335.411 2.514 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N(Cc2ccccc2Cl)CC2CC2)[n-]1 ZINC000588259914 479411528 /nfs/dbraw/zinc/41/15/28/479411528.db2.gz RIDNFJFMRKGNMT-UHFFFAOYSA-N -1 0 343.818 2.811 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC[C@@H](C)c1ccc(OC)cc1)C(=O)[O-] ZINC000575225673 479423293 /nfs/dbraw/zinc/42/32/93/479423293.db2.gz IVQVTRZXDFMHJQ-CZUORRHYSA-N -1 0 334.416 2.907 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000611671660 479442029 /nfs/dbraw/zinc/44/20/29/479442029.db2.gz RCSNPMVXXHOXQB-ONEGZZNKSA-N -1 0 343.412 2.881 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)o1 ZINC000588849437 479448618 /nfs/dbraw/zinc/44/86/18/479448618.db2.gz ODMAKGBIYHCCFH-UHFFFAOYSA-N -1 0 338.295 2.697 20 30 EFEDRM CCC(CC)(C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(=O)OC(C)(C)C ZINC000593897479 479501728 /nfs/dbraw/zinc/50/17/28/479501728.db2.gz KQPCCCHKTGETQF-UHFFFAOYSA-N -1 0 346.431 2.667 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000604455766 479521228 /nfs/dbraw/zinc/52/12/28/479521228.db2.gz AYVBFTQXLHOXGS-CYBMUJFWSA-N -1 0 339.355 2.711 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593962050 479522938 /nfs/dbraw/zinc/52/29/38/479522938.db2.gz PMDPQNBYBMMPOF-KGYLQXTDSA-N -1 0 345.399 2.824 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000593970711 479526477 /nfs/dbraw/zinc/52/64/77/479526477.db2.gz YDKDCPYPZNWOHP-LLVKDONJSA-N -1 0 328.441 2.946 20 30 EFEDRM C=CCSCCNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000604488800 479527440 /nfs/dbraw/zinc/52/74/40/479527440.db2.gz XWRWQRSBCWKCEK-UHFFFAOYSA-N -1 0 348.468 2.916 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589587273 479542874 /nfs/dbraw/zinc/54/28/74/479542874.db2.gz VHLMCUSVPMMRCG-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1C#N ZINC000600182401 479567448 /nfs/dbraw/zinc/56/74/48/479567448.db2.gz BHNLNWCEQDUWBU-DTORHVGOSA-N -1 0 341.383 2.744 20 30 EFEDRM C=CCn1c(-c2ccc(Cl)cc2F)n[n-]c1=Nc1cnn(C)c1 ZINC000577307621 479590031 /nfs/dbraw/zinc/59/00/31/479590031.db2.gz URQOQMRVLKPIFE-UHFFFAOYSA-N -1 0 332.770 2.823 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000577823032 479597142 /nfs/dbraw/zinc/59/71/42/479597142.db2.gz RSZDSEGQWYUILF-KYJSFNMBSA-N -1 0 346.427 2.825 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000577937387 479599620 /nfs/dbraw/zinc/59/96/20/479599620.db2.gz RDEITEDVXBAOIU-SNVBAGLBSA-N -1 0 332.278 2.968 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)[n-]1 ZINC000590121328 479605833 /nfs/dbraw/zinc/60/58/33/479605833.db2.gz DQQNEKJYYMRAKP-UHFFFAOYSA-N -1 0 343.818 2.654 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC3(CCc4ccccc4C3)CC2)[n-]1 ZINC000602886037 479612732 /nfs/dbraw/zinc/61/27/32/479612732.db2.gz INFMVZSUGDRRES-UHFFFAOYSA-N -1 0 349.438 2.517 20 30 EFEDRM CCc1ccc(CN(CC(C)C)C(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000602889193 479613580 /nfs/dbraw/zinc/61/35/80/479613580.db2.gz YBFITWLZINWHQQ-UHFFFAOYSA-N -1 0 339.443 2.966 20 30 EFEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000578946639 479634318 /nfs/dbraw/zinc/63/43/18/479634318.db2.gz HKHRAYDMOYCKBP-SNVBAGLBSA-N -1 0 337.305 2.937 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000612321170 479642228 /nfs/dbraw/zinc/64/22/28/479642228.db2.gz OTECIFBUZCDCNG-SQRWCISFSA-N -1 0 343.412 2.881 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@](C)(C#N)C2)n1 ZINC000612397364 479663718 /nfs/dbraw/zinc/66/37/18/479663718.db2.gz JHRWOPBNSPBUEM-LJQANCHMSA-N -1 0 338.411 2.906 20 30 EFEDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000615565788 479694203 /nfs/dbraw/zinc/69/42/03/479694203.db2.gz AEPMFFOCVMYJQI-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000621598007 479715914 /nfs/dbraw/zinc/71/59/14/479715914.db2.gz OXPUJKAZMXNTQJ-UONOGXRCSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc(OC)c1OC ZINC000621620380 479726742 /nfs/dbraw/zinc/72/67/42/479726742.db2.gz DELHYSFGEHNYNO-OAHLLOKOSA-N -1 0 347.411 2.902 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(F)c1 ZINC000612735514 479745953 /nfs/dbraw/zinc/74/59/53/479745953.db2.gz MWBBMFQXZSJKJS-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619461589 479800098 /nfs/dbraw/zinc/80/00/98/479800098.db2.gz ZYPYLGJMGVGIDJ-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619463861 479801063 /nfs/dbraw/zinc/80/10/63/479801063.db2.gz OXFNPDSOGRCJLA-LBPRGKRZSA-N -1 0 330.413 2.721 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619463461 479801090 /nfs/dbraw/zinc/80/10/90/479801090.db2.gz CYJWGFUYIXVFEX-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000619463302 479801246 /nfs/dbraw/zinc/80/12/46/479801246.db2.gz FXYZVYKEFKQLIT-UHFFFAOYSA-N -1 0 332.429 2.796 20 30 EFEDRM C=CCc1cc(CN=c2nc(C(C)(C)OC)[n-]s2)cc(OC)c1O ZINC000630959948 479801482 /nfs/dbraw/zinc/80/14/82/479801482.db2.gz OEZLQWHWFNFSIM-UHFFFAOYSA-N -1 0 349.456 2.896 20 30 EFEDRM CCCOc1ccc(C(C)(C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000619537025 479821966 /nfs/dbraw/zinc/82/19/66/479821966.db2.gz WWTOMRWENLRDJY-UHFFFAOYSA-N -1 0 341.415 2.559 20 30 EFEDRM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000609629693 480190145 /nfs/dbraw/zinc/19/01/45/480190145.db2.gz JNPWASJFWLAWOV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC[C@@H](CN(CC)C(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1 ZINC000614182145 480218712 /nfs/dbraw/zinc/21/87/12/480218712.db2.gz HJSDDLMBJBPGNO-AWEZNQCLSA-N -1 0 325.416 2.761 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000610056839 480232630 /nfs/dbraw/zinc/23/26/30/480232630.db2.gz MFXKOEMUCQSRHC-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610058353 480233251 /nfs/dbraw/zinc/23/32/51/480233251.db2.gz GFAPXYFAWWUMCK-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(F)c1 ZINC000610057747 480233348 /nfs/dbraw/zinc/23/33/48/480233348.db2.gz RFVDMIFYQPDAHT-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000610337389 480282791 /nfs/dbraw/zinc/28/27/91/480282791.db2.gz DXKZYHXBIHRWBQ-MRVPVSSYSA-N -1 0 333.273 2.914 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@H](C)COC ZINC000617582871 480288205 /nfs/dbraw/zinc/28/82/05/480288205.db2.gz WQWQSUZGMMJTNV-CYBMUJFWSA-N -1 0 347.390 2.689 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000610482649 480317966 /nfs/dbraw/zinc/31/79/66/480317966.db2.gz IEGIOXYRTLTMRX-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1 ZINC000610486960 480319318 /nfs/dbraw/zinc/31/93/18/480319318.db2.gz KNCRYOWQQUUILZ-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1Cl ZINC000610528188 480330660 /nfs/dbraw/zinc/33/06/60/480330660.db2.gz UYWQWWMVUIZYEG-MRVPVSSYSA-N -1 0 338.198 2.903 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000610557083 480336279 /nfs/dbraw/zinc/33/62/79/480336279.db2.gz FKOPULREHNAZHV-UHFFFAOYSA-N -1 0 341.440 2.708 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cc(Cl)ccc1Cl ZINC000610562022 480337096 /nfs/dbraw/zinc/33/70/96/480337096.db2.gz VKDYKQQCTUJSCO-QMMMGPOBSA-N -1 0 338.198 2.903 20 30 EFEDRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562155 480337279 /nfs/dbraw/zinc/33/72/79/480337279.db2.gz YOPVAIRMXVUMPS-JTQLQIEISA-N -1 0 340.412 2.548 20 30 EFEDRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610561880 480337364 /nfs/dbraw/zinc/33/73/64/480337364.db2.gz FFHWNRFLMXGKGN-KRWDZBQOSA-N -1 0 339.443 2.897 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)[n-]1 ZINC000610561623 480337504 /nfs/dbraw/zinc/33/75/04/480337504.db2.gz ZDAODQABFDVNTL-CQSZACIVSA-N -1 0 329.791 2.736 20 30 EFEDRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610562454 480338414 /nfs/dbraw/zinc/33/84/14/480338414.db2.gz UMVXMLFAOASSOI-MRXNPFEDSA-N -1 0 325.416 2.931 20 30 EFEDRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)o1 ZINC000610564856 480338439 /nfs/dbraw/zinc/33/84/39/480338439.db2.gz MMRJCUGXRQHMRK-IAQYHMDHSA-N -1 0 339.399 2.627 20 30 EFEDRM CC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610564509 480338570 /nfs/dbraw/zinc/33/85/70/480338570.db2.gz REFZRWXAHYLKNC-WMLDXEAASA-N -1 0 337.427 2.761 20 30 EFEDRM N#Cc1csc(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)c1 ZINC000610613407 480348776 /nfs/dbraw/zinc/34/87/76/480348776.db2.gz OYSBTTHLIPKDHU-UHFFFAOYSA-N -1 0 326.406 2.736 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)C1 ZINC000617785025 480362186 /nfs/dbraw/zinc/36/21/86/480362186.db2.gz BXFGZODYMHLCKS-CQSZACIVSA-N -1 0 336.457 2.877 20 30 EFEDRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N=c1[n-]n(C)cc1C#N ZINC000610698433 480369151 /nfs/dbraw/zinc/36/91/51/480369151.db2.gz BOPRYVWNRGGTTD-ZDUSSCGKSA-N -1 0 341.415 2.521 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000626753029 480514537 /nfs/dbraw/zinc/51/45/37/480514537.db2.gz DGMCLNFKGGGLGN-DZGCQCFKSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000626762395 480520492 /nfs/dbraw/zinc/52/04/92/480520492.db2.gz WKAIPHWZMYLARN-BBRMVZONSA-N -1 0 332.400 2.504 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634834065 480567657 /nfs/dbraw/zinc/56/76/57/480567657.db2.gz UCUQJZNYLFQKDH-NUTKFTJISA-N -1 0 337.441 2.578 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634834109 480568292 /nfs/dbraw/zinc/56/82/92/480568292.db2.gz VDRVCJLBHORJGR-XVGQJIODSA-N -1 0 349.402 2.656 20 30 EFEDRM C=CCC1(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCOCC1 ZINC000618250470 480587510 /nfs/dbraw/zinc/58/75/10/480587510.db2.gz CBJYASMCUJFANX-UHFFFAOYSA-N -1 0 345.374 2.572 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000630183439 480595719 /nfs/dbraw/zinc/59/57/19/480595719.db2.gz WKJOGSBINKOQGZ-OAHLLOKOSA-N -1 0 347.411 2.706 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC000630186474 480598082 /nfs/dbraw/zinc/59/80/82/480598082.db2.gz RZIZPEDJRQIUAE-LSDHHAIUSA-N -1 0 339.819 2.996 20 30 EFEDRM O=C([O-])[C@H]1CCC[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893721 480613092 /nfs/dbraw/zinc/61/30/92/480613092.db2.gz ZLLXKHWYSSJBDL-KGLIPLIRSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCC1(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)CCOCC1 ZINC000634928107 480641325 /nfs/dbraw/zinc/64/13/25/480641325.db2.gz FPUYBTKRYLXXPG-MRXNPFEDSA-N -1 0 337.441 2.722 20 30 EFEDRM C=CCC1(NC(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)CCOCC1 ZINC000634927947 480641503 /nfs/dbraw/zinc/64/15/03/480641503.db2.gz BMXRUKYTTSEJNT-GOSISDBHSA-N -1 0 349.402 2.800 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000630318606 480668514 /nfs/dbraw/zinc/66/85/14/480668514.db2.gz KDUBGZGNNSWVIY-OAHLLOKOSA-N -1 0 328.368 2.728 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000630319359 480668876 /nfs/dbraw/zinc/66/88/76/480668876.db2.gz YWUDBDOCVIBVIL-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2cccc(C)c2)c1C)C(=O)[O-] ZINC000630318673 480668958 /nfs/dbraw/zinc/66/89/58/480668958.db2.gz LKYOQZKUAUAQMR-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000630318890 480669030 /nfs/dbraw/zinc/66/90/30/480669030.db2.gz OGUVELNUACFONG-LBPRGKRZSA-N -1 0 331.290 2.777 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000630318629 480669057 /nfs/dbraw/zinc/66/90/57/480669057.db2.gz KOFKEBPSKKXMBB-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000630321297 480670141 /nfs/dbraw/zinc/67/01/41/480670141.db2.gz HGZKWAWYWQJYME-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322825 480670650 /nfs/dbraw/zinc/67/06/50/480670650.db2.gz WOBSPBYGQKLKQO-RDJZCZTQSA-N -1 0 348.443 2.681 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000630323890 480671625 /nfs/dbraw/zinc/67/16/25/480671625.db2.gz BGGMYBHGQMTQLZ-AWEZNQCLSA-N -1 0 335.400 2.879 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCOc1ccc(F)cc1F)C(=O)[O-] ZINC000630324497 480671904 /nfs/dbraw/zinc/67/19/04/480671904.db2.gz FCHSAVNHIPVSJB-ZDUSSCGKSA-N -1 0 327.327 2.659 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1)C(=O)[O-] ZINC000630326908 480672698 /nfs/dbraw/zinc/67/26/98/480672698.db2.gz SVSICBLOFPOVBD-WMLDXEAASA-N -1 0 347.411 2.511 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000630437630 480713333 /nfs/dbraw/zinc/71/33/33/480713333.db2.gz GEBPMPREEDMRFY-LBPRGKRZSA-N -1 0 341.360 2.578 20 30 EFEDRM C=C(C)C[C@H](NC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)C(=O)[O-] ZINC000630482264 480740121 /nfs/dbraw/zinc/74/01/21/480740121.db2.gz YQNJBLVHVRXKOZ-OWCLPIDISA-N -1 0 332.400 2.625 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC(c2n[n-]c(=N)o2)CC1 ZINC000636131806 480816381 /nfs/dbraw/zinc/81/63/81/480816381.db2.gz MCLJDQXPNSHTFR-UHFFFAOYSA-N -1 0 344.440 2.780 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2[n-]nc([C@H]3CCCO3)s2)cc1 ZINC000636350943 480913735 /nfs/dbraw/zinc/91/37/35/480913735.db2.gz AYCVMASBAVIQGK-CYBMUJFWSA-N -1 0 331.397 2.629 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@@H]2CN(c3ccccc3)CCO2)s1 ZINC000641406048 480923446 /nfs/dbraw/zinc/92/34/46/480923446.db2.gz LIZFOTMPQFCEDS-AWEZNQCLSA-N -1 0 348.497 2.555 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000669504472 481166236 /nfs/dbraw/zinc/16/62/36/481166236.db2.gz DWSAXESFVOXOFV-OAHLLOKOSA-N -1 0 332.400 2.856 20 30 EFEDRM N#CC(=C([O-])c1coc(-c2cccnc2)n1)c1nnc2n1CCCCC2 ZINC000659054275 481196511 /nfs/dbraw/zinc/19/65/11/481196511.db2.gz XZFLDEARPFRCCT-CYBMUJFWSA-N -1 0 348.366 2.545 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC000653296863 481209394 /nfs/dbraw/zinc/20/93/94/481209394.db2.gz BYEFIIDKUFCUQB-UHFFFAOYSA-N -1 0 333.388 2.824 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000659154228 481237392 /nfs/dbraw/zinc/23/73/92/481237392.db2.gz NSMSBYWXGKXHTO-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC000659154873 481238290 /nfs/dbraw/zinc/23/82/90/481238290.db2.gz WGRCPMNJIAZJRU-LBPRGKRZSA-N -1 0 330.306 2.896 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC000659236289 481296595 /nfs/dbraw/zinc/29/65/95/481296595.db2.gz SAGLSYZXULAQSC-YJBOKZPZSA-N -1 0 333.384 2.633 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1 ZINC000647378877 481793317 /nfs/dbraw/zinc/79/33/17/481793317.db2.gz HQCAWLDKCCSCCW-GFCCVEGCSA-N -1 0 330.413 2.662 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC(F)F ZINC000647379141 481793484 /nfs/dbraw/zinc/79/34/84/481793484.db2.gz CWTPWNBXJKESNS-QMMMGPOBSA-N -1 0 338.339 2.845 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccccc1OC(F)F)C(=O)[O-] ZINC000654794852 482053665 /nfs/dbraw/zinc/05/36/65/482053665.db2.gz RCGALFKINDCKAZ-GFCCVEGCSA-N -1 0 342.342 2.549 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000654800284 482056832 /nfs/dbraw/zinc/05/68/32/482056832.db2.gz NNUDIPYIOCCMOS-KGLIPLIRSA-N -1 0 336.363 2.758 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000652070931 482060361 /nfs/dbraw/zinc/06/03/61/482060361.db2.gz APXQUQOISIGSPL-SFHVURJKSA-N -1 0 345.439 2.660 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000654817916 482064098 /nfs/dbraw/zinc/06/40/98/482064098.db2.gz XHZXQLIDDPDULH-JYJNAYRXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000654819989 482064580 /nfs/dbraw/zinc/06/45/80/482064580.db2.gz DMHCZPMZCHXAOS-DIODGJHASA-N -1 0 338.448 2.690 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000654819990 482064894 /nfs/dbraw/zinc/06/48/94/482064894.db2.gz DMHCZPMZCHXAOS-NWPKHEMWSA-N -1 0 338.448 2.690 20 30 EFEDRM C=C(C)[C@H](NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000421809527 534339218 /nfs/dbraw/zinc/33/92/18/534339218.db2.gz VGNZWINAVHHBBS-RBZYPMLTSA-N -1 0 327.327 2.576 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(OC)c1OC ZINC000263376208 534408453 /nfs/dbraw/zinc/40/84/53/534408453.db2.gz WQODWUHKSAVQQP-SWLSCSKDSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(C(=O)N[C@](C)(CCC)C(=O)[O-])cc(OC)c1OC ZINC000262242306 534410451 /nfs/dbraw/zinc/41/04/51/534410451.db2.gz QOHJNYNACOOVCQ-GOSISDBHSA-N -1 0 335.400 2.806 20 30 EFEDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000119839422 519719423 /nfs/dbraw/zinc/71/94/23/519719423.db2.gz LCVNGRTWISZOJF-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM N#CC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000155790361 534544549 /nfs/dbraw/zinc/54/45/49/534544549.db2.gz GKYIZVPIRDRLFO-UHFFFAOYSA-N -1 0 328.290 2.574 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000414349307 534552942 /nfs/dbraw/zinc/55/29/42/534552942.db2.gz SLWAZOIYUFHOMX-UHFFFAOYSA-N -1 0 325.430 2.882 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F ZINC000177834222 522134326 /nfs/dbraw/zinc/13/43/26/522134326.db2.gz VPBCTOLIYKYTOW-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1C ZINC000180736672 522249818 /nfs/dbraw/zinc/24/98/18/522249818.db2.gz UUYMACQCWCYTHW-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230346867 522439953 /nfs/dbraw/zinc/43/99/53/522439953.db2.gz PBVCIFKPJCXEDN-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc12 ZINC000185594100 522928364 /nfs/dbraw/zinc/92/83/64/522928364.db2.gz OYNFMUSUHCEQHN-UHFFFAOYSA-N -1 0 342.380 2.766 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000263044922 534792765 /nfs/dbraw/zinc/79/27/65/534792765.db2.gz ZYIOIWGXCQVCGD-CQSZACIVSA-N -1 0 335.400 2.879 20 30 EFEDRM COc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000048587460 524654198 /nfs/dbraw/zinc/65/41/98/524654198.db2.gz FJJRSSLCZLATMP-UHFFFAOYSA-N -1 0 339.344 2.559 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(=O)[O-] ZINC000262870743 534794879 /nfs/dbraw/zinc/79/48/79/534794879.db2.gz JPGXQDXNHPDQPO-LLVKDONJSA-N -1 0 329.347 2.626 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(c2ccccc2C)CCOCC1)C(=O)[O-] ZINC000262969912 534805094 /nfs/dbraw/zinc/80/50/94/534805094.db2.gz SMHMKXGTUXPHCJ-INIZCTEOSA-N -1 0 331.412 2.579 20 30 EFEDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120590433 524997910 /nfs/dbraw/zinc/99/79/10/524997910.db2.gz LCGYDOKHPYLWAK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1F ZINC000121393412 525291089 /nfs/dbraw/zinc/29/10/89/525291089.db2.gz QBTVFIGIKDGEFX-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc(OCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1Cl ZINC000026273592 525369318 /nfs/dbraw/zinc/36/93/18/525369318.db2.gz SLFIAMDRAVBRFF-UHFFFAOYSA-N -1 0 343.774 2.913 20 30 EFEDRM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000116712168 525738012 /nfs/dbraw/zinc/73/80/12/525738012.db2.gz YCDYXPJGPXZDTL-QFIPXVFZSA-N -1 0 348.449 2.546 20 30 EFEDRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000075555539 525922644 /nfs/dbraw/zinc/92/26/44/525922644.db2.gz XUNVXLBTZMTVFK-LLVKDONJSA-N -1 0 337.383 2.857 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000261601350 525925253 /nfs/dbraw/zinc/92/52/53/525925253.db2.gz BHEPOUWPHUXRBH-DZGCQCFKSA-N -1 0 330.384 2.571 20 30 EFEDRM Cc1c2nc([N-]S(=O)(=O)c3ccc(C#N)nc3)sc2ccc1F ZINC000150976437 525997019 /nfs/dbraw/zinc/99/70/19/525997019.db2.gz OXRZFQVSSYTTCV-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(Cl)c1 ZINC000183005067 526684147 /nfs/dbraw/zinc/68/41/47/526684147.db2.gz KLSKKWKERUUJBO-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cn1 ZINC000195439013 526685325 /nfs/dbraw/zinc/68/53/25/526685325.db2.gz YORGOCFAZGBAJK-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120253 526749922 /nfs/dbraw/zinc/74/99/22/526749922.db2.gz SWKBZOWAGKBMCM-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000095460276 527159649 /nfs/dbraw/zinc/15/96/49/527159649.db2.gz HZBQEFKQNGONEJ-UHFFFAOYSA-N -1 0 346.742 2.901 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccc2c[nH]nc21 ZINC000048568590 527192358 /nfs/dbraw/zinc/19/23/58/527192358.db2.gz RQBJUFURCGKNDG-UHFFFAOYSA-N -1 0 333.344 2.537 20 30 EFEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)o1 ZINC000195441130 527217392 /nfs/dbraw/zinc/21/73/92/527217392.db2.gz LDSKQJWWDXCVRI-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000180351818 527565161 /nfs/dbraw/zinc/56/51/61/527565161.db2.gz SQTNUHOEHCMOOY-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000096792542 527617691 /nfs/dbraw/zinc/61/76/91/527617691.db2.gz QGPPQQDXROSFDC-KMKOMSMNSA-N -1 0 327.292 2.954 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1 ZINC000187729006 528610037 /nfs/dbraw/zinc/61/00/37/528610037.db2.gz BADLYNNBIVQJQX-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1(C)C ZINC000177620471 528869661 /nfs/dbraw/zinc/86/96/61/528869661.db2.gz KRXTZPHBNQPPHL-UHFFFAOYSA-N -1 0 340.832 2.699 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]ncn2-c2ccccc2)cc1 ZINC000358333538 535001916 /nfs/dbraw/zinc/00/19/16/535001916.db2.gz OZYIDKSUSZCYQG-UHFFFAOYSA-N -1 0 331.379 2.743 20 30 EFEDRM CCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329185379 535224652 /nfs/dbraw/zinc/22/46/52/535224652.db2.gz PJKNXWOPTQBZDC-ZDUSSCGKSA-N -1 0 343.387 2.876 20 30 EFEDRM CCc1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cnn1CCC(C)C ZINC000427386824 536049027 /nfs/dbraw/zinc/04/90/27/536049027.db2.gz LCTRAYXLAOOQPR-UHFFFAOYSA-N -1 0 342.447 2.815 20 30 EFEDRM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000359755263 536506994 /nfs/dbraw/zinc/50/69/94/536506994.db2.gz ZDWBAUAPHACJOQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000434624581 536635419 /nfs/dbraw/zinc/63/54/19/536635419.db2.gz AHTFYDSYFPCZGJ-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000194672388 536710238 /nfs/dbraw/zinc/71/02/38/536710238.db2.gz AHGUQTCMCBBWIM-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COC(=O)C(C)(C)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000285272126 545679685 /nfs/dbraw/zinc/67/96/85/545679685.db2.gz HYCPDJRETWSMIW-LZYBPNLTSA-N -1 0 328.752 2.962 20 30 EFEDRM CC(C)(CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000515909453 546298704 /nfs/dbraw/zinc/29/87/04/546298704.db2.gz VEDKGRCFNUPJOS-UHFFFAOYSA-N -1 0 327.302 2.674 20 30 EFEDRM C=CCCn1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)nn1 ZINC000655929575 546645558 /nfs/dbraw/zinc/64/55/58/546645558.db2.gz VEQXVTRDSHMVSM-UHFFFAOYSA-N -1 0 340.427 2.932 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(C(F)(F)F)c(OC)c1)C(=O)[O-] ZINC000656490659 546819109 /nfs/dbraw/zinc/81/91/09/546819109.db2.gz DTNIFBWCKHQBGM-NSHDSACASA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cccc(O[C@H](C)CC)c1)C(=O)[O-] ZINC000656513285 546825972 /nfs/dbraw/zinc/82/59/72/546825972.db2.gz VBDNIESCOSYBLA-DOMZBBRYSA-N -1 0 341.429 2.562 20 30 EFEDRM C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759699 546913948 /nfs/dbraw/zinc/91/39/48/546913948.db2.gz JWLNDBNNRDSQGE-GOEBONIOSA-N -1 0 330.428 2.678 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000678991761 549033232 /nfs/dbraw/zinc/03/32/32/549033232.db2.gz ZOONMBMGWAEZJQ-ZDUSSCGKSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC000681558629 549566698 /nfs/dbraw/zinc/56/66/98/549566698.db2.gz UJAXUVNUHWUFGI-HNNXBMFYSA-N -1 0 331.393 2.661 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000681558609 549566753 /nfs/dbraw/zinc/56/67/53/549566753.db2.gz SPONSSCMRBINJB-ZDUSSCGKSA-N -1 0 339.800 2.801 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000684746280 550087944 /nfs/dbraw/zinc/08/79/44/550087944.db2.gz XRASFZOVKIPLHD-GFCCVEGCSA-N -1 0 346.305 2.791 20 30 EFEDRM CCOc1nc2sccn2c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000753922051 575359482 /nfs/dbraw/zinc/35/94/82/575359482.db2.gz OJFBEZGDCFNFLL-UHFFFAOYSA-N -1 0 330.369 2.939 20 30 EFEDRM C#C[C@H](CC)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000754358307 575424410 /nfs/dbraw/zinc/42/44/10/575424410.db2.gz XGKQNAFBUQKYOA-SNVBAGLBSA-N -1 0 337.301 2.738 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000754709888 575475338 /nfs/dbraw/zinc/47/53/38/575475338.db2.gz TXSLCQLQQBFNFP-UHFFFAOYSA-N -1 0 327.222 2.555 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(C(F)(F)F)nn2)c1 ZINC000754710682 575475367 /nfs/dbraw/zinc/47/53/67/575475367.db2.gz MWDNMFJVZDFUNV-UHFFFAOYSA-N -1 0 327.222 2.555 20 30 EFEDRM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754710851 575475421 /nfs/dbraw/zinc/47/54/21/575475421.db2.gz IDVNUHXYZCWWBR-UHFFFAOYSA-N -1 0 339.252 2.711 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)c2ccncc2)n1 ZINC000754942918 575517439 /nfs/dbraw/zinc/51/74/39/575517439.db2.gz ARYBKZRHNUCDLO-RISCZKNCSA-N -1 0 343.408 2.760 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000755413922 575584134 /nfs/dbraw/zinc/58/41/34/575584134.db2.gz ZTRCHUBYTXXPLN-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM O=C([O-])c1csc(C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000755512493 575594071 /nfs/dbraw/zinc/59/40/71/575594071.db2.gz NTYKAPWQQGQXLU-UHFFFAOYSA-N -1 0 330.394 2.876 20 30 EFEDRM Cc1sc2ncn(N=Cc3cc(C(=O)[O-])cs3)c(=O)c2c1C ZINC000755518282 575594559 /nfs/dbraw/zinc/59/45/59/575594559.db2.gz HWOPKQWEAAGUEN-UHFFFAOYSA-N -1 0 333.394 2.717 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C)cc1Cl ZINC000755602558 575606545 /nfs/dbraw/zinc/60/65/45/575606545.db2.gz FLYCABACGPMHTL-JTQLQIEISA-N -1 0 333.731 2.606 20 30 EFEDRM Cn1c(N=NCc2cc(C(=O)[O-])cs2)nnc1-c1ccccc1 ZINC000755648470 575613342 /nfs/dbraw/zinc/61/33/42/575613342.db2.gz OQAQSBFSMSRGBD-UHFFFAOYSA-N -1 0 327.369 2.688 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2c(c1)OCO2 ZINC000756901078 575798823 /nfs/dbraw/zinc/79/88/23/575798823.db2.gz IVHWPVRJLCMVLP-UHFFFAOYSA-N -1 0 328.324 2.958 20 30 EFEDRM COCCn1c(C)cc(CN=Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC000756900915 575798861 /nfs/dbraw/zinc/79/88/61/575798861.db2.gz DUOYZKZLHHWBFO-UHFFFAOYSA-N -1 0 345.399 2.904 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1cc(C)cc2F ZINC000756905710 575799693 /nfs/dbraw/zinc/79/96/93/575799693.db2.gz GETNVBVKVKZIBC-UHFFFAOYSA-N -1 0 343.314 2.609 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3[nH]ccc32)n1 ZINC000757048010 575815218 /nfs/dbraw/zinc/81/52/18/575815218.db2.gz ZAWBZDVYELQWEF-ZDUSSCGKSA-N -1 0 339.376 2.966 20 30 EFEDRM CC(=NNC(=S)Nc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC000757451557 575839691 /nfs/dbraw/zinc/83/96/91/575839691.db2.gz UHSIKGAANNZZRW-UHFFFAOYSA-N -1 0 347.371 2.940 20 30 EFEDRM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(O)cc1[O-] ZINC000757473427 575840360 /nfs/dbraw/zinc/84/03/60/575840360.db2.gz XFPKKJAFJHMPLF-RJRFIUFISA-N -1 0 343.291 2.673 20 30 EFEDRM O=C(/C=C\c1cnc(N2CCCC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000757476200 575840439 /nfs/dbraw/zinc/84/04/39/575840439.db2.gz OIFQQAJJOWZNAI-ARJAWSKDSA-N -1 0 331.322 2.957 20 30 EFEDRM C[C@H]1CC(=NNc2cnnc([O-])c2Cl)CN1Cc1ccccc1 ZINC000757564778 575842509 /nfs/dbraw/zinc/84/25/09/575842509.db2.gz LYTCWJXUDUKUHE-NSHDSACASA-N -1 0 331.807 2.898 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1cc(C(=O)[O-])ccc1O ZINC000757591718 575843798 /nfs/dbraw/zinc/84/37/98/575843798.db2.gz XPPFVYSCICYRIO-UHFFFAOYSA-N -1 0 338.323 2.575 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000757611706 575845191 /nfs/dbraw/zinc/84/51/91/575845191.db2.gz IFNWRFWTAHMXDH-GOSISDBHSA-N -1 0 345.402 2.968 20 30 EFEDRM C#CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000757625236 575845892 /nfs/dbraw/zinc/84/58/92/575845892.db2.gz YCLGYNSNBRDMOC-NSHDSACASA-N -1 0 335.479 2.800 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000757649354 575847331 /nfs/dbraw/zinc/84/73/31/575847331.db2.gz AXVPBOKDWWUQQL-UHFFFAOYSA-N -1 0 349.318 2.540 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1cncc(Br)c1 ZINC000758122269 575860321 /nfs/dbraw/zinc/86/03/21/575860321.db2.gz IYFYDDXRYXZBDG-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM O=[N+]([O-])c1cc(C=NNc2cncc(Br)c2)ccc1[O-] ZINC000758121907 575860329 /nfs/dbraw/zinc/86/03/29/575860329.db2.gz BJGPJDKRNMJZNF-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM CCO[C@@H]1COCC[C@H]1/N=C/c1cc(Br)ccc1O ZINC000758815378 575877814 /nfs/dbraw/zinc/87/78/14/575877814.db2.gz KRIILNLFMVXMMK-JSEPGKFPSA-N -1 0 328.206 2.768 20 30 EFEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1)OCO2 ZINC000758931851 575880571 /nfs/dbraw/zinc/88/05/71/575880571.db2.gz PRUGVLYYLUJAQL-SREVYHEPSA-N -1 0 340.331 2.947 20 30 EFEDRM O=C(/C=C\c1cccc2c1OCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090697 575884368 /nfs/dbraw/zinc/88/43/68/575884368.db2.gz LIRUGVXGAXYFEH-XQRVVYSFSA-N -1 0 327.292 2.968 20 30 EFEDRM O=C(/C=C\c1ccccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090803 575884444 /nfs/dbraw/zinc/88/44/44/575884444.db2.gz MSCCQFKVSCYHNM-ALCCZGGFSA-N -1 0 336.307 2.777 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759233886 575887418 /nfs/dbraw/zinc/88/74/18/575887418.db2.gz BXXNJGCJGTWQCK-STQMWFEESA-N -1 0 342.395 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC1(C)C ZINC000759241636 575887616 /nfs/dbraw/zinc/88/76/16/575887616.db2.gz WQENKCDOISTEJO-VXGBXAGGSA-N -1 0 330.384 2.746 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1occc1C ZINC000759241722 575887625 /nfs/dbraw/zinc/88/76/25/575887625.db2.gz XKRYYSVZEITUPJ-GFCCVEGCSA-N -1 0 342.351 2.915 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000759426636 575891425 /nfs/dbraw/zinc/89/14/25/575891425.db2.gz PVVFBWVYCANVRG-LLVKDONJSA-N -1 0 349.312 2.868 20 30 EFEDRM C#CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000759439775 575891790 /nfs/dbraw/zinc/89/17/90/575891790.db2.gz BOOCDKOIZKYLAD-ZDUSSCGKSA-N -1 0 328.368 2.503 20 30 EFEDRM C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cccc(C#N)c1 ZINC000759465222 575892398 /nfs/dbraw/zinc/89/23/98/575892398.db2.gz VZYKYKYFZDRFRW-SECBINFHSA-N -1 0 328.290 2.620 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)C(F)(F)Oc2ccc(C=O)cc2)c1 ZINC000759714102 575924894 /nfs/dbraw/zinc/92/48/94/575924894.db2.gz VCDWFHWGTBMIME-UHFFFAOYSA-N -1 0 332.262 2.687 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713277 575924949 /nfs/dbraw/zinc/92/49/49/575924949.db2.gz KJTBJAYJEHHCBR-AWEZNQCLSA-N -1 0 345.399 2.992 20 30 EFEDRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759721047 575926051 /nfs/dbraw/zinc/92/60/51/575926051.db2.gz ZMWTTZYAUQNHLJ-LBPRGKRZSA-N -1 0 349.412 2.512 20 30 EFEDRM N#Cc1ccc2[nH]cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)c2c1 ZINC000760231939 575993298 /nfs/dbraw/zinc/99/32/98/575993298.db2.gz VHSVLNVWPHTDIZ-UHFFFAOYSA-N -1 0 336.302 2.821 20 30 EFEDRM Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cnc1Cl ZINC000760240293 575994183 /nfs/dbraw/zinc/99/41/83/575994183.db2.gz WZHBERDRBIPMAK-UHFFFAOYSA-N -1 0 330.800 2.924 20 30 EFEDRM CC(C)CCN1c2ccccc2C(=N[N-]c2ncc(F)cn2)C1=O ZINC000760246857 575995223 /nfs/dbraw/zinc/99/52/23/575995223.db2.gz PEAAGYCTOWKGRU-UHFFFAOYSA-N -1 0 327.363 2.825 20 30 EFEDRM CC#CCCOC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000760277484 575998372 /nfs/dbraw/zinc/99/83/72/575998372.db2.gz XVUPRGSMBDAAOR-UHFFFAOYSA-N -1 0 335.303 2.518 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 ZINC000760474211 576029295 /nfs/dbraw/zinc/02/92/95/576029295.db2.gz YMGFRTZZUIOIBD-UHFFFAOYSA-N -1 0 346.346 2.885 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC000761289496 576140703 /nfs/dbraw/zinc/14/07/03/576140703.db2.gz SDOPVDOWOOKHAY-INIZCTEOSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000761288354 576140795 /nfs/dbraw/zinc/14/07/95/576140795.db2.gz BCIRDFMFUBXATC-INIZCTEOSA-N -1 0 343.404 2.736 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000761333130 576147741 /nfs/dbraw/zinc/14/77/41/576147741.db2.gz SPTWCGKHFSAAIH-UHFFFAOYSA-N -1 0 329.805 2.686 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)nc2Cl)C(=O)O1 ZINC000761475155 576167777 /nfs/dbraw/zinc/16/77/77/576167777.db2.gz MVHDFGYVQXVVEN-FXMSTWTQSA-N -1 0 326.135 2.617 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC2CCSCC2)n1 ZINC000762003161 576241474 /nfs/dbraw/zinc/24/14/74/576241474.db2.gz GQOHDIBVHMIUBU-LBPRGKRZSA-N -1 0 338.454 2.704 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000762022292 576244477 /nfs/dbraw/zinc/24/44/77/576244477.db2.gz SCQNRQYISFNNKL-UHFFFAOYSA-N -1 0 326.396 2.866 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762023681 576244843 /nfs/dbraw/zinc/24/48/43/576244843.db2.gz GBGIAYBIUOIZSH-FUHWJXTLSA-N -1 0 340.423 2.962 20 30 EFEDRM Cc1nnc(NN=Cc2c(Cl)cccc2N2CCCC2)[n-]c1=O ZINC000763347154 576373766 /nfs/dbraw/zinc/37/37/66/576373766.db2.gz XBIOINRLHAAJBD-UHFFFAOYSA-N -1 0 332.795 2.585 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cnc(-c3ccccn3)s2)nc1 ZINC000763368902 576374492 /nfs/dbraw/zinc/37/44/92/576374492.db2.gz PXHCRFUOTCNSCI-UHFFFAOYSA-N -1 0 325.353 2.744 20 30 EFEDRM CCOCc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC ZINC000763369896 576374563 /nfs/dbraw/zinc/37/45/63/576374563.db2.gz ZNRKLTVUBJZGMX-UHFFFAOYSA-N -1 0 329.356 2.771 20 30 EFEDRM Cc1nc2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2s1 ZINC000763939841 576412847 /nfs/dbraw/zinc/41/28/47/576412847.db2.gz CIRRWBOHMKWYBQ-CYBMUJFWSA-N -1 0 327.409 2.986 20 30 EFEDRM COc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccc1F ZINC000764064205 576426114 /nfs/dbraw/zinc/42/61/14/576426114.db2.gz UZDKTYZGGXYVED-LLVKDONJSA-N -1 0 348.355 2.633 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2cccc(C(=O)[O-])c2)n1 ZINC000764696655 576489834 /nfs/dbraw/zinc/48/98/34/576489834.db2.gz OZDVBPCEGNMKFO-UHFFFAOYSA-N -1 0 327.388 2.857 20 30 EFEDRM COCCC(N=Nc1ccc(C(=O)[O-])cc1OC)C1CCOCC1 ZINC000764907885 576521474 /nfs/dbraw/zinc/52/14/74/576521474.db2.gz QBPYDMDQAULGQZ-UHFFFAOYSA-N -1 0 336.388 2.624 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000765037176 576539590 /nfs/dbraw/zinc/53/95/90/576539590.db2.gz NFCNYUGLVWOHNY-UHFFFAOYSA-N -1 0 330.365 2.994 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)o1 ZINC000765572531 577055355 /nfs/dbraw/zinc/05/53/55/577055355.db2.gz POJGUHILSQUHPE-UHFFFAOYSA-N -1 0 338.327 2.690 20 30 EFEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccnn1C ZINC000765654073 577063127 /nfs/dbraw/zinc/06/31/27/577063127.db2.gz DZQKRMMDYDWYDI-UHFFFAOYSA-N -1 0 329.466 2.756 20 30 EFEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766452308 577151899 /nfs/dbraw/zinc/15/18/99/577151899.db2.gz CLYQYGLWUWXDHZ-UHFFFAOYSA-N -1 0 333.475 2.930 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000766502513 577158970 /nfs/dbraw/zinc/15/89/70/577158970.db2.gz OQIFSXDCLZCEEP-ZADCQDASSA-N -1 0 344.319 2.814 20 30 EFEDRM Cc1nnc(NN=Cc2csc(-c3ccc(F)cc3)n2)[n-]c1=O ZINC000767033542 577193188 /nfs/dbraw/zinc/19/31/88/577193188.db2.gz SKXDDYVJVVJQBQ-UHFFFAOYSA-N -1 0 330.348 2.594 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000767041336 577193746 /nfs/dbraw/zinc/19/37/46/577193746.db2.gz MVIRVCWVELGRLO-SFHVURJKSA-N -1 0 335.359 2.523 20 30 EFEDRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737986832 577223731 /nfs/dbraw/zinc/22/37/31/577223731.db2.gz JQOYQIVMRXOCIG-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cnc1Cl ZINC000767704229 577229066 /nfs/dbraw/zinc/22/90/66/577229066.db2.gz WWAVQQXISDLQKQ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(NN=C2Oc3cc([O-])cc(C)c3C2=O)c([N+](=O)[O-])c1 ZINC000767797109 577234515 /nfs/dbraw/zinc/23/45/15/577234515.db2.gz MCEMSSXOZMSJAQ-UHFFFAOYSA-N -1 0 343.295 2.618 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000768013766 577249251 /nfs/dbraw/zinc/24/92/51/577249251.db2.gz QTQIBTVKWBMEJU-UHFFFAOYSA-N -1 0 330.409 2.542 20 30 EFEDRM Cc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1[N+](=O)[O-] ZINC000725858655 577253196 /nfs/dbraw/zinc/25/31/96/577253196.db2.gz DXGQCXXCCFQOIY-UHFFFAOYSA-N -1 0 340.364 2.784 20 30 EFEDRM C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000737689479 577254170 /nfs/dbraw/zinc/25/41/70/577254170.db2.gz PNEJVYFMSAYQSU-JTQLQIEISA-N -1 0 328.299 2.693 20 30 EFEDRM N#C[C@@H](NC(=O)CCCNC(=O)[O-])c1cccc(Cl)c1Cl ZINC000739073588 577264044 /nfs/dbraw/zinc/26/40/44/577264044.db2.gz DNXODJFDLPNSBF-SNVBAGLBSA-N -1 0 330.171 2.722 20 30 EFEDRM N#C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000739074723 577266002 /nfs/dbraw/zinc/26/60/02/577266002.db2.gz LLVYMAWYGIXCCS-ZDUSSCGKSA-N -1 0 349.268 2.793 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000739077513 577268820 /nfs/dbraw/zinc/26/88/20/577268820.db2.gz OZISTQOOSKMAQE-UWVGGRQHSA-N -1 0 327.167 2.534 20 30 EFEDRM COc1cc(C=NNc2cc(C#N)cc(Cl)n2)cc([N+](=O)[O-])c1[O-] ZINC000768379256 577270196 /nfs/dbraw/zinc/27/01/96/577270196.db2.gz FNBBUJBKMFFFOK-UHFFFAOYSA-N -1 0 347.718 2.675 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000739087438 577273516 /nfs/dbraw/zinc/27/35/16/577273516.db2.gz LRQJPVVJHBVEEC-UHFFFAOYSA-N -1 0 330.290 2.682 20 30 EFEDRM CC(C)(C#N)CCCCOC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000768478370 577277155 /nfs/dbraw/zinc/27/71/55/577277155.db2.gz ARTYMXOQHJABTK-UHFFFAOYSA-N -1 0 338.429 2.935 20 30 EFEDRM Cc1cc(Cl)cc2c1OCCCC2=NNc1nnc(C)c(=O)[n-]1 ZINC000768476212 577277218 /nfs/dbraw/zinc/27/72/18/577277218.db2.gz JSXGADWLQLYFTB-UHFFFAOYSA-N -1 0 333.779 2.836 20 30 EFEDRM c1nc2nc[n-]c(NN=C3CCCOc4cc5c(cc43)CCC5)c-2n1 ZINC000768484015 577277835 /nfs/dbraw/zinc/27/78/35/577277835.db2.gz RXCLQSNYSMDQDJ-UHFFFAOYSA-N -1 0 334.383 2.830 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC000739117225 577282338 /nfs/dbraw/zinc/28/23/38/577282338.db2.gz BTPUDDRPHWSUBK-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000768764577 577299715 /nfs/dbraw/zinc/29/97/15/577299715.db2.gz WDBLCTAELLIQCV-CYBMUJFWSA-N -1 0 341.411 2.545 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1 ZINC000737948982 577310473 /nfs/dbraw/zinc/31/04/73/577310473.db2.gz QMCMWLGOGSWDFS-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1noc(C)c1[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738942248 577320962 /nfs/dbraw/zinc/32/09/62/577320962.db2.gz YXQPVJVKAOUGDD-PSLIRLAXSA-N -1 0 328.324 2.636 20 30 EFEDRM O=C([O-])CCOc1ccc(C=NN2CCc3ccccc3C2=O)cc1 ZINC000769597167 577373962 /nfs/dbraw/zinc/37/39/62/577373962.db2.gz DZIZYXAAKZTGJM-UHFFFAOYSA-N -1 0 338.363 2.573 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000726732102 577382188 /nfs/dbraw/zinc/38/21/88/577382188.db2.gz AKRKMZVHGBCXEE-INIZCTEOSA-N -1 0 332.363 2.510 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1 ZINC000726732656 577382344 /nfs/dbraw/zinc/38/23/44/577382344.db2.gz INAQSKBMCHDEGE-CQSZACIVSA-N -1 0 338.354 2.878 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CCC[C@H]1Cc1ccccc1)[n-]c2=O ZINC000769809535 577387122 /nfs/dbraw/zinc/38/71/22/577387122.db2.gz WZMVNLGZJXXTJU-ZDUSSCGKSA-N -1 0 336.399 2.880 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCc2ccc(F)cc2F)c1)C(=O)[O-] ZINC000727060133 577432201 /nfs/dbraw/zinc/43/22/01/577432201.db2.gz GWMMBIHQRDNERP-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM CCc1nn(C)cc1/C=C\C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000770572890 581111858 /nfs/dbraw/zinc/11/18/58/581111858.db2.gz MXCKKQNFHDWBBH-JLVNDZCYSA-N -1 0 328.368 2.731 20 30 EFEDRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000770866563 581143514 /nfs/dbraw/zinc/14/35/14/581143514.db2.gz UBHACUCHTVVXMH-PNBKFKSVSA-N -1 0 345.443 2.789 20 30 EFEDRM Cc1ccc2c(CCC(=O)C(C#N)=C([O-])c3nccn3C)c[nH]c2c1 ZINC000770875526 581144562 /nfs/dbraw/zinc/14/45/62/581144562.db2.gz BLAXIBGCWBLEMH-OAHLLOKOSA-N -1 0 334.379 2.734 20 30 EFEDRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771073562 581171562 /nfs/dbraw/zinc/17/15/62/581171562.db2.gz CRAFUHBIKIDHEX-UHFFFAOYSA-N -1 0 338.454 2.552 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2Cl)CCC1 ZINC000771075948 581171978 /nfs/dbraw/zinc/17/19/78/581171978.db2.gz NQONXPNEVVMYHH-UHFFFAOYSA-N -1 0 347.223 2.747 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)CCC1 ZINC000771075737 581171987 /nfs/dbraw/zinc/17/19/87/581171987.db2.gz BYLDEGUQLYRSRA-UHFFFAOYSA-N -1 0 328.393 2.593 20 30 EFEDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771080825 581172784 /nfs/dbraw/zinc/17/27/84/581172784.db2.gz NVJPSWCSBVAZNK-UHFFFAOYSA-N -1 0 334.441 2.783 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)CCC1 ZINC000771082149 581173066 /nfs/dbraw/zinc/17/30/66/581173066.db2.gz YMDVTNWMBNMHGX-UHFFFAOYSA-N -1 0 342.420 2.522 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cccc3nccn32)cc1CC(=O)[O-] ZINC000771286572 581196084 /nfs/dbraw/zinc/19/60/84/581196084.db2.gz NLWBNSMRBAGPCX-VOTSOKGWSA-N -1 0 336.347 2.866 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3sccc32)c1 ZINC000771566349 581223299 /nfs/dbraw/zinc/22/32/99/581223299.db2.gz LWWXJDZEFUVWGI-AWEZNQCLSA-N -1 0 346.433 2.545 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000772712988 581358859 /nfs/dbraw/zinc/35/88/59/581358859.db2.gz KFNBQLPMUBPBEO-UHFFFAOYSA-N -1 0 336.438 2.673 20 30 EFEDRM COc1cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c(OC)cc1O ZINC000772799319 581369791 /nfs/dbraw/zinc/36/97/91/581369791.db2.gz BJSCGTCLNNWBIS-UTCJRWHESA-N -1 0 345.307 2.919 20 30 EFEDRM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1 ZINC000772990824 581386219 /nfs/dbraw/zinc/38/62/19/581386219.db2.gz PLCDPPOXVQCACT-UHFFFAOYSA-N -1 0 334.244 2.630 20 30 EFEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC000773034276 581389825 /nfs/dbraw/zinc/38/98/25/581389825.db2.gz ZCTDKFFKTXGTKI-UHFFFAOYSA-N -1 0 335.360 2.505 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccoc1 ZINC000773990146 581477314 /nfs/dbraw/zinc/47/73/14/581477314.db2.gz SVAYDLZKUWPDBP-CYBMUJFWSA-N -1 0 342.351 2.536 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1Cl ZINC000774052157 581480608 /nfs/dbraw/zinc/48/06/08/581480608.db2.gz KWAFCNPYWHRGIO-VIFPVBQESA-N -1 0 335.772 2.766 20 30 EFEDRM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000774073967 581481837 /nfs/dbraw/zinc/48/18/37/581481837.db2.gz ZHYZGFQTBFWLFK-IUODEOHRSA-N -1 0 340.832 2.699 20 30 EFEDRM CC(C)Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)CCCC#N ZINC000774174487 581486478 /nfs/dbraw/zinc/48/64/78/581486478.db2.gz SVQIWFFSKHJTBA-UHFFFAOYSA-N -1 0 347.440 2.661 20 30 EFEDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000774201289 581487043 /nfs/dbraw/zinc/48/70/43/581487043.db2.gz MMPUPNGEHFWPGP-ZDUSSCGKSA-N -1 0 347.440 2.803 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=CCCc1ccc2c(c1)CCO2 ZINC000774324737 581489588 /nfs/dbraw/zinc/48/95/88/581489588.db2.gz RCFFCPUIHRJKAI-UHFFFAOYSA-N -1 0 342.346 2.987 20 30 EFEDRM N#Cc1ccc(-c2ccc(OC(=O)CSCC(=O)[O-])cc2)cc1 ZINC000740314212 597082736 /nfs/dbraw/zinc/08/27/36/597082736.db2.gz SZAYVXMMXQCPOL-UHFFFAOYSA-N -1 0 327.361 2.948 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cn2)cc1 ZINC000740322005 597088844 /nfs/dbraw/zinc/08/88/44/597088844.db2.gz XQVQXLXLAMIKTJ-UHFFFAOYSA-N -1 0 343.364 2.502 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818576566 597175834 /nfs/dbraw/zinc/17/58/34/597175834.db2.gz DSQOFCZNTIGRCA-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM C=CCn1c(-c2cccs2)nn(CN(C)[C@@H](C)C(=O)[O-])c1=S ZINC000817689869 597226677 /nfs/dbraw/zinc/22/66/77/597226677.db2.gz CILCZFPLDBFZRV-JTQLQIEISA-N -1 0 338.458 2.691 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000819100671 597319080 /nfs/dbraw/zinc/31/90/80/597319080.db2.gz YYRUTFDFRBOTOY-SFHVURJKSA-N -1 0 349.390 2.793 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000819100355 597328321 /nfs/dbraw/zinc/32/83/21/597328321.db2.gz DVOYQWQEWHPEGQ-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000819090793 597340326 /nfs/dbraw/zinc/34/03/26/597340326.db2.gz CKFYMZINQKYAQS-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000817762399 597464150 /nfs/dbraw/zinc/46/41/50/597464150.db2.gz KMGGMKSHBJWGLI-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000821008876 597604923 /nfs/dbraw/zinc/60/49/23/597604923.db2.gz QTZVVJNMZIENJG-GOSISDBHSA-N -1 0 346.383 2.893 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000819822475 597605590 /nfs/dbraw/zinc/60/55/90/597605590.db2.gz OCGFBSJZCUPZBN-IINYFYTJSA-N -1 0 340.166 2.679 20 30 EFEDRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820506679 597607977 /nfs/dbraw/zinc/60/79/77/597607977.db2.gz JQLYBKDKBWWHJA-HNNXBMFYSA-N -1 0 334.763 2.653 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000819821049 597608548 /nfs/dbraw/zinc/60/85/48/597608548.db2.gz CCRYZEOJWFLGAR-LRDDRELGSA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000819835997 597610132 /nfs/dbraw/zinc/61/01/32/597610132.db2.gz ZOTVNSARNWOMJO-SFHVURJKSA-N -1 0 328.412 2.910 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000819835996 597610481 /nfs/dbraw/zinc/61/04/81/597610481.db2.gz ZOTVNSARNWOMJO-GOSISDBHSA-N -1 0 328.412 2.910 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1c(F)cccc1Br ZINC000819874756 597611705 /nfs/dbraw/zinc/61/17/05/597611705.db2.gz QLWVXJPGRYTFQF-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000821009094 597612377 /nfs/dbraw/zinc/61/23/77/597612377.db2.gz VKJXDFZKWNSHQS-UGSOOPFHSA-N -1 0 344.415 2.712 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820161654 597614153 /nfs/dbraw/zinc/61/41/53/597614153.db2.gz QVEWDLSKXAVRRM-KPZWWZAWSA-N -1 0 346.383 2.685 20 30 EFEDRM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C ZINC000820968062 597617824 /nfs/dbraw/zinc/61/78/24/597617824.db2.gz JKALKBMGSSLMIA-FZKQIMNGSA-N -1 0 331.368 2.731 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(OC(F)(F)F)cc1 ZINC000819875148 597619642 /nfs/dbraw/zinc/61/96/42/597619642.db2.gz ULNQSYNRFDHFIS-CYBMUJFWSA-N -1 0 331.246 2.633 20 30 EFEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820161555 597625287 /nfs/dbraw/zinc/62/52/87/597625287.db2.gz QQCJQMLVDZSOAL-GMCHHPPOSA-N -1 0 347.411 2.708 20 30 EFEDRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820161671 597625315 /nfs/dbraw/zinc/62/53/15/597625315.db2.gz QXPXDWUSPLKILV-SGTLLEGYSA-N -1 0 331.368 2.929 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000819811737 597632745 /nfs/dbraw/zinc/63/27/45/597632745.db2.gz VOXJOTIASKYURQ-KZULUSFZSA-N -1 0 341.367 2.538 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000819811739 597632810 /nfs/dbraw/zinc/63/28/10/597632810.db2.gz VOXJOTIASKYURQ-SGTLLEGYSA-N -1 0 341.367 2.538 20 30 EFEDRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC000821078913 597641625 /nfs/dbraw/zinc/64/16/25/597641625.db2.gz AZYSIUMLQHQTCV-VQIMIIECSA-N -1 0 328.412 2.781 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820114510 597648824 /nfs/dbraw/zinc/64/88/24/597648824.db2.gz OLUFGWIASQHZRV-PIGZYNQJSA-N -1 0 327.340 2.523 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000819875418 597660028 /nfs/dbraw/zinc/66/00/28/597660028.db2.gz WPESLPRLFUODSY-OLZOCXBDSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000819811682 597662682 /nfs/dbraw/zinc/66/26/82/597662682.db2.gz UJTXJMOHSGFOPZ-UGSOOPFHSA-N -1 0 332.375 2.926 20 30 EFEDRM O=C([O-])CCNN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000821524327 597740079 /nfs/dbraw/zinc/74/00/79/597740079.db2.gz CVEHNBALOJMWPO-UHFFFAOYSA-N -1 0 337.719 2.906 20 30 EFEDRM O=C([O-])CCNN=Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000821524666 597741499 /nfs/dbraw/zinc/74/14/99/597741499.db2.gz OEAUEZDVPHWIIH-UHFFFAOYSA-N -1 0 333.775 2.712 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000819866065 597787883 /nfs/dbraw/zinc/78/78/83/597787883.db2.gz QZLNWKANBLGTDZ-MRXNPFEDSA-N -1 0 329.381 2.677 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)OCCCC(=O)[O-])cc2)nc1 ZINC000738435524 597842790 /nfs/dbraw/zinc/84/27/90/597842790.db2.gz YOCAGALKTQLZTA-UHFFFAOYSA-N -1 0 326.308 2.767 20 30 EFEDRM C=CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735409725 599284715 /nfs/dbraw/zinc/28/47/15/599284715.db2.gz JLVIFZXVFDAFMS-UHFFFAOYSA-N -1 0 327.323 2.695 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000820479800 598148627 /nfs/dbraw/zinc/14/86/27/598148627.db2.gz BLUDJYRCULKGFI-INIZCTEOSA-N -1 0 336.347 2.908 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000820479943 598160005 /nfs/dbraw/zinc/16/00/05/598160005.db2.gz LVUKPCARKFFENK-MRXNPFEDSA-N -1 0 336.347 2.908 20 30 EFEDRM COc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000820805213 598221901 /nfs/dbraw/zinc/22/19/01/598221901.db2.gz NPRONXVVGTTYMA-INIZCTEOSA-N -1 0 345.380 2.762 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000819866381 598222423 /nfs/dbraw/zinc/22/24/23/598222423.db2.gz WGABVJQKMIANQN-MRXNPFEDSA-N -1 0 329.381 2.677 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000819866511 598222667 /nfs/dbraw/zinc/22/26/67/598222667.db2.gz XTQTVROQUMGFSE-INIZCTEOSA-N -1 0 347.371 2.816 20 30 EFEDRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819966925 598223390 /nfs/dbraw/zinc/22/33/90/598223390.db2.gz HLNNEIKEIDPEAV-QGZVFWFLSA-N -1 0 331.372 2.614 20 30 EFEDRM COc1cccc(CN(CC(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000820865772 598223855 /nfs/dbraw/zinc/22/38/55/598223855.db2.gz XTXWRVJGQXEGDB-GOSISDBHSA-N -1 0 332.400 2.684 20 30 EFEDRM COc1cc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OC(C)C ZINC000820759071 598224014 /nfs/dbraw/zinc/22/40/14/598224014.db2.gz DVDJOVKVGHUXTG-SGTLLEGYSA-N -1 0 348.399 2.664 20 30 EFEDRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821087887 598224186 /nfs/dbraw/zinc/22/41/86/598224186.db2.gz KBUASKIQIVWBMS-QGZVFWFLSA-N -1 0 331.372 2.533 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1OC1CCCC1 ZINC000819842368 598224406 /nfs/dbraw/zinc/22/44/06/598224406.db2.gz OEEFRFNDSFAEOI-GOSISDBHSA-N -1 0 330.384 2.629 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000819811729 598224975 /nfs/dbraw/zinc/22/49/75/598224975.db2.gz VNPRQWCKPVVVRM-INIZCTEOSA-N -1 0 338.310 2.572 20 30 EFEDRM CCC[C@@H]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820304849 598225944 /nfs/dbraw/zinc/22/59/44/598225944.db2.gz YXTDMZUOLKMHLK-QLJPJBMISA-N -1 0 335.429 2.991 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000819855266 598226128 /nfs/dbraw/zinc/22/61/28/598226128.db2.gz AIAIBIQZVKSJLP-INIZCTEOSA-N -1 0 345.380 2.665 20 30 EFEDRM COc1c(Cl)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl ZINC000820755192 598226244 /nfs/dbraw/zinc/22/62/44/598226244.db2.gz YHGMHMOWXGWEJZ-CYBMUJFWSA-N -1 0 331.155 2.945 20 30 EFEDRM Cc1c(Br)cccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820934140 598226459 /nfs/dbraw/zinc/22/64/59/598226459.db2.gz FFFLMFTUJIDMDS-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820517563 598226885 /nfs/dbraw/zinc/22/68/85/598226885.db2.gz KTTHILDLEIBTNH-CYBMUJFWSA-N -1 0 330.262 2.553 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819874745 598227084 /nfs/dbraw/zinc/22/70/84/598227084.db2.gz QEECTZWGYJGNFQ-BDJLRTHQSA-N -1 0 331.397 2.881 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000819857432 598227288 /nfs/dbraw/zinc/22/72/88/598227288.db2.gz XIOBCBKGTBQVLB-SFHVURJKSA-N -1 0 349.350 2.568 20 30 EFEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000821088538 598227335 /nfs/dbraw/zinc/22/73/35/598227335.db2.gz XSNSBZAIKVFSEY-SFHVURJKSA-N -1 0 345.399 2.923 20 30 EFEDRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820696853 598228212 /nfs/dbraw/zinc/22/82/12/598228212.db2.gz LYIDPQABWUBSCT-FUEDEBDSSA-N -1 0 338.791 2.537 20 30 EFEDRM Cc1ccc(Oc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)nn1 ZINC000821098331 598228575 /nfs/dbraw/zinc/22/85/75/598228575.db2.gz CEEAKCGMIZSPBY-QGZVFWFLSA-N -1 0 340.339 2.520 20 30 EFEDRM CN1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2cc(Cl)ccc21 ZINC000820626330 598228737 /nfs/dbraw/zinc/22/87/37/598228737.db2.gz MRKWMRPCIFMDPO-INIZCTEOSA-N -1 0 335.791 2.517 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000819835970 598228934 /nfs/dbraw/zinc/22/89/34/598228934.db2.gz YYAGNDNZRDBRQM-LKFCYVNXSA-N -1 0 343.166 2.548 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000819835972 598228938 /nfs/dbraw/zinc/22/89/38/598228938.db2.gz YYAGNDNZRDBRQM-XPTSAGLGSA-N -1 0 343.166 2.548 20 30 EFEDRM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000821075897 598229082 /nfs/dbraw/zinc/22/90/82/598229082.db2.gz LJJAUUQMJKOACX-HHXXYDBFSA-N -1 0 344.411 2.584 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000819842753 598229123 /nfs/dbraw/zinc/22/91/23/598229123.db2.gz SHHVXDWVVHMZOO-AWEZNQCLSA-N -1 0 346.717 2.562 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000819842755 598229174 /nfs/dbraw/zinc/22/91/74/598229174.db2.gz SHHVXDWVVHMZOO-CQSZACIVSA-N -1 0 346.717 2.562 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000819821228 598229725 /nfs/dbraw/zinc/22/97/25/598229725.db2.gz DOYSDBPMQOIARF-HNNXBMFYSA-N -1 0 341.194 2.883 20 30 EFEDRM Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OC(C)(C)C)c1 ZINC000821079047 598230144 /nfs/dbraw/zinc/23/01/44/598230144.db2.gz IDGBBUGHSGPTAP-GOSISDBHSA-N -1 0 332.400 2.793 20 30 EFEDRM CC(C)COc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819979963 598230169 /nfs/dbraw/zinc/23/01/69/598230169.db2.gz AUPLWJBOVLDVMA-UGSOOPFHSA-N -1 0 332.400 2.903 20 30 EFEDRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)n1 ZINC000821147089 598230358 /nfs/dbraw/zinc/23/03/58/598230358.db2.gz WHMXAGIFROEMCD-QGZVFWFLSA-N -1 0 327.340 2.902 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000819822530 598230588 /nfs/dbraw/zinc/23/05/88/598230588.db2.gz OWCWBDXYZAEGGZ-KSSFIOAISA-N -1 0 342.395 2.944 20 30 EFEDRM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCNC(=O)[O-] ZINC000736736397 599707493 /nfs/dbraw/zinc/70/74/93/599707493.db2.gz DFTLDGPIZCVZHL-JXAWBTAJSA-N -1 0 335.429 2.554 20 30 EFEDRM CCOc1ccc(C[C@H](CNc2ncccc2C#N)C(=O)[O-])cc1 ZINC000737205330 599707546 /nfs/dbraw/zinc/70/75/46/599707546.db2.gz JITXGKABXOLAGA-OAHLLOKOSA-N -1 0 325.368 2.707 20 30 EFEDRM C=CCN(C(=O)CCNC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000736107961 599708469 /nfs/dbraw/zinc/70/84/69/599708469.db2.gz CYFVBPANROAJDK-UHFFFAOYSA-N -1 0 331.397 2.987 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccccc2C#N)CC1 ZINC000736718105 599716931 /nfs/dbraw/zinc/71/69/31/599716931.db2.gz QQTJKHTWJBJVEL-ZDUSSCGKSA-N -1 0 325.368 2.733 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000736305678 599735005 /nfs/dbraw/zinc/73/50/05/599735005.db2.gz LGFIUWFLZWEFQT-UHFFFAOYSA-N -1 0 332.404 2.833 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000739140719 599736579 /nfs/dbraw/zinc/73/65/79/599736579.db2.gz ZDRXYZAHJIEJOU-UHFFFAOYSA-N -1 0 346.346 2.759 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737839804 599767586 /nfs/dbraw/zinc/76/75/86/599767586.db2.gz NYADWCDMTBNSLP-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)N(CCC#N)CC(C)(C)C)c(C(=O)[O-])c1C ZINC000736172265 599775778 /nfs/dbraw/zinc/77/57/78/599775778.db2.gz FCYXIGYOUDUCIG-UHFFFAOYSA-N -1 0 347.415 2.555 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000739087895 599789428 /nfs/dbraw/zinc/78/94/28/599789428.db2.gz NOBUPAWNXWFSMS-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)c1 ZINC000739133717 599798987 /nfs/dbraw/zinc/79/89/87/599798987.db2.gz MPGHCHBZBQONPB-IRXDYDNUSA-N -1 0 336.347 2.796 20 30 EFEDRM N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000739074956 599799158 /nfs/dbraw/zinc/79/91/58/599799158.db2.gz NXVJMKIDMPDTOH-CQSZACIVSA-N -1 0 339.351 2.535 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1NC(C)=O ZINC000737919712 599801960 /nfs/dbraw/zinc/80/19/60/599801960.db2.gz BELULPHTJJOJGZ-GQCTYLIASA-N -1 0 329.308 2.841 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(C#N)CC1 ZINC000736489275 599820061 /nfs/dbraw/zinc/82/00/61/599820061.db2.gz YTAAIPKDZLRHQF-UHFFFAOYSA-N -1 0 331.372 2.939 20 30 EFEDRM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000739386105 599822200 /nfs/dbraw/zinc/82/22/00/599822200.db2.gz ASZYZZNDHUXSNU-LJQANCHMSA-N -1 0 348.402 2.959 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000736089666 599838343 /nfs/dbraw/zinc/83/83/43/599838343.db2.gz OEGBLLMRJAWKLI-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000736090094 599838377 /nfs/dbraw/zinc/83/83/77/599838377.db2.gz UYPMQZJACZMTIL-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM CCC(CC)C(=O)N1CCC(=NOCc2cc(C(=O)[O-])co2)CC1 ZINC000736893189 599844094 /nfs/dbraw/zinc/84/40/94/599844094.db2.gz FZKAUXOSXRPYAM-UHFFFAOYSA-N -1 0 336.388 2.909 20 30 EFEDRM Cc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738319448 599848827 /nfs/dbraw/zinc/84/88/27/599848827.db2.gz KPZXJGFPOVUZLB-UHFFFAOYSA-N -1 0 339.395 2.901 20 30 EFEDRM O=C([O-])c1coc(C2=NN/C(=N/CCc3cccs3)SC2)c1 ZINC000740269900 599858954 /nfs/dbraw/zinc/85/89/54/599858954.db2.gz ROCABEYJOCKLPS-UHFFFAOYSA-N -1 0 335.410 2.679 20 30 EFEDRM O=C([O-])c1coc(C2=NN/C(=N/Cc3ccc(F)cc3)SC2)c1 ZINC000740268689 599859216 /nfs/dbraw/zinc/85/92/16/599859216.db2.gz JYSFDEZTGFZSIV-UHFFFAOYSA-N -1 0 333.344 2.714 20 30 EFEDRM N#CCOc1ccc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000739087558 599887305 /nfs/dbraw/zinc/88/73/05/599887305.db2.gz KLOLFYIOUOUHQS-UHFFFAOYSA-N -1 0 328.280 2.774 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000738435198 599898952 /nfs/dbraw/zinc/89/89/52/599898952.db2.gz VYJCOLNBIQHSQN-MRXNPFEDSA-N -1 0 340.404 2.983 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000739131851 599900785 /nfs/dbraw/zinc/90/07/85/599900785.db2.gz GDEXDXJKOOEIMS-UHFFFAOYSA-N -1 0 338.388 2.938 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCSCC(=O)[O-] ZINC000736433017 599900989 /nfs/dbraw/zinc/90/09/89/599900989.db2.gz ZCMOMISKKGTILX-UHFFFAOYSA-N -1 0 349.456 2.544 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000738778231 599905496 /nfs/dbraw/zinc/90/54/96/599905496.db2.gz OOUDWCHHARCYNC-UHFFFAOYSA-N -1 0 329.381 2.719 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739132928 599911667 /nfs/dbraw/zinc/91/16/67/599911667.db2.gz WUWYEEWHACOCIW-INIZCTEOSA-N -1 0 326.377 2.592 20 30 EFEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCSCC(=O)[O-])cc1 ZINC000736297627 599919710 /nfs/dbraw/zinc/91/97/10/599919710.db2.gz RCQYTXDLUZJQAJ-AWEZNQCLSA-N -1 0 334.441 2.873 20 30 EFEDRM N#Cc1ccc(NCCOc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000739121208 599922853 /nfs/dbraw/zinc/92/28/53/599922853.db2.gz MGCLYYSEAKSPIN-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM Cc1ncc(CO)c(/C=N/[C@@H](CCC(=O)[O-])c2ccccc2)c1O ZINC000738884780 599926403 /nfs/dbraw/zinc/92/64/03/599926403.db2.gz CLSOGBPZTVABKJ-UWSDUSPXSA-N -1 0 328.368 2.613 20 30 EFEDRM C=CCn1c(SCCC(=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC000736117972 599927806 /nfs/dbraw/zinc/92/78/06/599927806.db2.gz PIXVMRSYLFBTCO-ZDUSSCGKSA-N -1 0 347.396 2.543 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000739099635 599955996 /nfs/dbraw/zinc/95/59/96/599955996.db2.gz ZVYJEPUWTZUWPF-ZDUSSCGKSA-N -1 0 343.314 2.961 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000739091041 599972441 /nfs/dbraw/zinc/97/24/41/599972441.db2.gz DRYVLODCRMNOIO-OAHLLOKOSA-N -1 0 330.290 2.587 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000739140067 599974760 /nfs/dbraw/zinc/97/47/60/599974760.db2.gz PCJHIYDZBMWHTR-AFCDSYGPSA-N -1 0 342.301 2.792 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(O[C@@H](C)C#N)cc2)C(C(=O)[O-])=C1C ZINC000736106838 599983408 /nfs/dbraw/zinc/98/34/08/599983408.db2.gz MOMGBPZLAASSBL-MEDUHNTESA-N -1 0 341.367 2.588 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736881843 599984786 /nfs/dbraw/zinc/98/47/86/599984786.db2.gz CCMNXHRPGHAQIK-MEDUHNTESA-N -1 0 343.383 2.812 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)Nc2cccc(C#N)c2)C(=O)[O-])c1 ZINC000738707044 600009343 /nfs/dbraw/zinc/00/93/43/600009343.db2.gz BWAYFDCWBIZDGL-MRXNPFEDSA-N -1 0 337.379 2.932 20 30 EFEDRM CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000737075925 600025862 /nfs/dbraw/zinc/02/58/62/600025862.db2.gz JGTYLNGAMBZIIY-UHFFFAOYSA-N -1 0 325.368 2.513 20 30 EFEDRM N#Cc1cn(Cc2ccc(C(=O)[O-])o2)c2ccc(Cl)cc2c1=O ZINC000739141937 600027038 /nfs/dbraw/zinc/02/70/38/600027038.db2.gz FOIJWNDBGIRWCY-UHFFFAOYSA-N -1 0 328.711 2.866 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736390132 600053051 /nfs/dbraw/zinc/05/30/51/600053051.db2.gz GNVDPKPJXLRODT-PGEKIEPBSA-N -1 0 344.411 2.721 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNc2ccc(Br)cn2)c1 ZINC000740154555 600056172 /nfs/dbraw/zinc/05/61/72/600056172.db2.gz GCSUSJRUKUOUNQ-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cn1 ZINC000736092079 600063101 /nfs/dbraw/zinc/06/31/01/600063101.db2.gz AOARDYBRSKYTMQ-UHFFFAOYSA-N -1 0 326.377 2.633 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738325908 600070545 /nfs/dbraw/zinc/07/05/45/600070545.db2.gz GYZUWHYHWNZLTP-KRWDZBQOSA-N -1 0 337.379 2.655 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000739134156 600072102 /nfs/dbraw/zinc/07/21/02/600072102.db2.gz XFDOTXVBBRWTBZ-DLBZAZTESA-N -1 0 336.347 2.796 20 30 EFEDRM C#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000736092333 600072631 /nfs/dbraw/zinc/07/26/31/600072631.db2.gz FPDKUWDTWVNBMI-UHFFFAOYSA-N -1 0 336.372 2.906 20 30 EFEDRM N#Cc1cccc(CNC(=O)COc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000739133674 600080674 /nfs/dbraw/zinc/08/06/74/600080674.db2.gz MIKXRJGPNVUUSK-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000738541805 600106148 /nfs/dbraw/zinc/10/61/48/600106148.db2.gz AEQGBEBFSQNLCP-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM N#Cc1cccc(CNC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739134095 600127504 /nfs/dbraw/zinc/12/75/04/600127504.db2.gz VFRIIVVDNVEWAZ-UHFFFAOYSA-N -1 0 342.330 2.516 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C(=O)[O-] ZINC000736202959 600137203 /nfs/dbraw/zinc/13/72/03/600137203.db2.gz SJXUKYZGNIJFQR-GFCCVEGCSA-N -1 0 349.456 2.672 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C(=O)[O-] ZINC000736202962 600137408 /nfs/dbraw/zinc/13/74/08/600137408.db2.gz SJXUKYZGNIJFQR-LBPRGKRZSA-N -1 0 349.456 2.672 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000736337140 600155822 /nfs/dbraw/zinc/15/58/22/600155822.db2.gz NOAQZFFMNCHWHL-UHFFFAOYSA-N -1 0 340.339 2.730 20 30 EFEDRM Cc1[nH]c(C(=O)CON=C(N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738156360 600162120 /nfs/dbraw/zinc/16/21/20/600162120.db2.gz UIABCTVKZOIYOR-UHFFFAOYSA-N -1 0 349.774 2.503 20 30 EFEDRM N#Cc1ccc(-c2csc(NC(=O)CCSCC(=O)[O-])n2)cc1 ZINC000739101426 600190327 /nfs/dbraw/zinc/19/03/27/600190327.db2.gz HRQHTJIPARXTNS-UHFFFAOYSA-N -1 0 347.421 2.828 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2ncc(C(=O)[O-])s2)c1 ZINC000739140623 600191533 /nfs/dbraw/zinc/19/15/33/600191533.db2.gz VUFLUOJJXXGGHU-UHFFFAOYSA-N -1 0 345.380 2.901 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739089044 600197760 /nfs/dbraw/zinc/19/77/60/600197760.db2.gz XYRKAAFIOBODIH-UHFFFAOYSA-N -1 0 343.314 2.999 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739134252 600207078 /nfs/dbraw/zinc/20/70/78/600207078.db2.gz ZGVBRVRWWMVTKM-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#CCn1c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC000739092726 600215279 /nfs/dbraw/zinc/21/52/79/600215279.db2.gz VMKPZNQLMRBSBE-OAHLLOKOSA-N -1 0 345.358 2.993 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000736096387 600234812 /nfs/dbraw/zinc/23/48/12/600234812.db2.gz MUOQUCWCCCLURQ-INIZCTEOSA-N -1 0 346.408 2.517 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000738085575 600247861 /nfs/dbraw/zinc/24/78/61/600247861.db2.gz PIMBCRGTGLXQCX-LLVKDONJSA-N -1 0 341.319 2.638 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000738084394 600248538 /nfs/dbraw/zinc/24/85/38/600248538.db2.gz GZOAAWSTVWGCAM-LLVKDONJSA-N -1 0 341.319 2.638 20 30 EFEDRM CC(C)N(Cc1noc(CCCC(=O)[O-])n1)Cc1ccc(C#N)cc1 ZINC000736471684 600294004 /nfs/dbraw/zinc/29/40/04/600294004.db2.gz LVNCNDAIVTUVKZ-UHFFFAOYSA-N -1 0 342.399 2.759 20 30 EFEDRM CN(C(=O)CNc1ccc(CNC(=O)[O-])cc1)C1(C#N)CCCCC1 ZINC000737323437 600315939 /nfs/dbraw/zinc/31/59/39/600315939.db2.gz YVIRFVWFYKDLFE-UHFFFAOYSA-N -1 0 344.415 2.551 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736306847 600316390 /nfs/dbraw/zinc/31/63/90/600316390.db2.gz VBRMVHHHGYMBDC-ZDUSSCGKSA-N -1 0 344.415 2.833 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736108460 600326617 /nfs/dbraw/zinc/32/66/17/600326617.db2.gz UMCUWDOLTJVMFX-CQSZACIVSA-N -1 0 331.416 2.797 20 30 EFEDRM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000736691427 600369397 /nfs/dbraw/zinc/36/93/97/600369397.db2.gz GAJKCJSTZSAAOW-NSHDSACASA-N -1 0 329.308 2.727 20 30 EFEDRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000736853572 600380649 /nfs/dbraw/zinc/38/06/49/600380649.db2.gz VGENCXOBUQBOTP-QGZVFWFLSA-N -1 0 338.363 2.833 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(C2SCCCS2)cc1 ZINC000739085491 600406862 /nfs/dbraw/zinc/40/68/62/600406862.db2.gz ANOPCJJUTMTRSX-UHFFFAOYSA-N -1 0 336.438 2.606 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000739088702 600406908 /nfs/dbraw/zinc/40/69/08/600406908.db2.gz ZAKCJNMYHFWHHL-UHFFFAOYSA-N -1 0 335.772 2.514 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736347194 600408937 /nfs/dbraw/zinc/40/89/37/600408937.db2.gz GDMISESSYWAYCP-HOTGVXAUSA-N -1 0 335.835 2.631 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000738957676 600434556 /nfs/dbraw/zinc/43/45/56/600434556.db2.gz LJQSCIPBBDSAGW-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736708616 600450274 /nfs/dbraw/zinc/45/02/74/600450274.db2.gz UYDHFAZGLKQWHE-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739086665 600456705 /nfs/dbraw/zinc/45/67/05/600456705.db2.gz BQEHDYIYBHFBCU-KRWDZBQOSA-N -1 0 343.310 2.640 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739099324 600498690 /nfs/dbraw/zinc/49/86/90/600498690.db2.gz UOQPEQFOQUDSCK-UHFFFAOYSA-N -1 0 342.311 2.849 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000736114657 600520865 /nfs/dbraw/zinc/52/08/65/600520865.db2.gz ZXHPEMGXLZUKII-SECOEOQKSA-N -1 0 347.411 2.889 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000736114655 600520880 /nfs/dbraw/zinc/52/08/80/600520880.db2.gz ZXHPEMGXLZUKII-PXAMLJHWSA-N -1 0 347.411 2.889 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3cccc(NC(=O)[O-])c3)C2=O)cc1 ZINC000739123597 600523117 /nfs/dbraw/zinc/52/31/17/600523117.db2.gz RVZILWBGXHCOLB-INIZCTEOSA-N -1 0 336.351 2.866 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3cccc(NC(=O)[O-])c3)C2=O)cc1 ZINC000739123599 600523257 /nfs/dbraw/zinc/52/32/57/600523257.db2.gz RVZILWBGXHCOLB-MRXNPFEDSA-N -1 0 336.351 2.866 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000739106187 600561931 /nfs/dbraw/zinc/56/19/31/600561931.db2.gz QMQLDXVNRIWXGG-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccsc3)CC2)cc1 ZINC000739105923 600563005 /nfs/dbraw/zinc/56/30/05/600563005.db2.gz OQEZRJVITMRMJH-QGZVFWFLSA-N -1 0 341.436 2.563 20 30 EFEDRM N#Cc1ccccc1NC(=S)NCc1cccc(OCC(=O)[O-])c1 ZINC000739146559 600568559 /nfs/dbraw/zinc/56/85/59/600568559.db2.gz HHCHJSJPZJEJGS-UHFFFAOYSA-N -1 0 341.392 2.508 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)nc2)cc1 ZINC000738202564 600572464 /nfs/dbraw/zinc/57/24/64/600572464.db2.gz HYZPZOKMAGJONA-HNNXBMFYSA-N -1 0 341.392 2.621 20 30 EFEDRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000736160879 600592064 /nfs/dbraw/zinc/59/20/64/600592064.db2.gz NFQFPTDBBDIGIE-MRXNPFEDSA-N -1 0 327.315 2.894 20 30 EFEDRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737829038 600593734 /nfs/dbraw/zinc/59/37/34/600593734.db2.gz OGRNTLJQUUBIJG-QGZVFWFLSA-N -1 0 326.352 2.821 20 30 EFEDRM COC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737644473 600594658 /nfs/dbraw/zinc/59/46/58/600594658.db2.gz WOHLOLPVMZKECU-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM N#Cc1ccc([C@H](NCC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739105224 600596054 /nfs/dbraw/zinc/59/60/54/600596054.db2.gz FKCXMJMRFCAYEB-INIZCTEOSA-N -1 0 343.770 2.566 20 30 EFEDRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736760309 600600031 /nfs/dbraw/zinc/60/00/31/600600031.db2.gz CBBIXIXPIYPXBZ-LGESCRJUSA-N -1 0 326.462 2.760 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000738639159 600604112 /nfs/dbraw/zinc/60/41/12/600604112.db2.gz OHHNAELURJMCQO-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM CCn1c(C)cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000737293706 600605478 /nfs/dbraw/zinc/60/54/78/600605478.db2.gz IYOKXNWBVPYHMF-MRXNPFEDSA-N -1 0 326.352 2.979 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cnn(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739118287 600607539 /nfs/dbraw/zinc/60/75/39/600607539.db2.gz QDPLXQVBBVWTMF-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM COc1cc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737883605 600608718 /nfs/dbraw/zinc/60/87/18/600608718.db2.gz OHQNKQNXHMIETQ-SFHVURJKSA-N -1 0 339.347 2.787 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2noc3ccccc23)C(=O)[O-])cc1 ZINC000739114921 600609173 /nfs/dbraw/zinc/60/91/73/600609173.db2.gz LNHSWMDQXFNORH-QGZVFWFLSA-N -1 0 336.303 2.611 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])cc1 ZINC000739111700 600609915 /nfs/dbraw/zinc/60/99/15/600609915.db2.gz VYBDZOBHLVHIFJ-LPADLIQXSA-N -1 0 332.315 2.812 20 30 EFEDRM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736701503 600610484 /nfs/dbraw/zinc/61/04/84/600610484.db2.gz WQDWXLFAYNVGCF-DYVFJYSZSA-N -1 0 339.347 2.832 20 30 EFEDRM C[C@H](Oc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736704600 600610519 /nfs/dbraw/zinc/61/05/19/600610519.db2.gz UIEZXBHGBMHLAY-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1nccnc1NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739144782 600611886 /nfs/dbraw/zinc/61/18/86/600611886.db2.gz AGJZTOHDHFFIOL-OAHLLOKOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1nccnc1NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739144885 600612128 /nfs/dbraw/zinc/61/21/28/600612128.db2.gz BRUNYQLEKPBCPQ-MRXNPFEDSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739116642 600613304 /nfs/dbraw/zinc/61/33/04/600613304.db2.gz BKYIDERDLINUAS-GFCCVEGCSA-N -1 0 332.293 2.511 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc([N+](=O)[O-])c1 ZINC000738347181 600614658 /nfs/dbraw/zinc/61/46/58/600614658.db2.gz DTEOSESRUIZSKC-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738663867 600614831 /nfs/dbraw/zinc/61/48/31/600614831.db2.gz BCSLUJMOGFWKKJ-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCOc3ccccc32)C(=O)[O-])cc1 ZINC000739110521 600616782 /nfs/dbraw/zinc/61/67/82/600616782.db2.gz QWLQDBIEBVBFNR-NVXWUHKLSA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CNc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739110953 600617983 /nfs/dbraw/zinc/61/79/83/600617983.db2.gz SWFMCSBGUOHWQJ-INIZCTEOSA-N -1 0 344.754 2.993 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-c3ncon3)cc2)C(=O)[O-])cc1 ZINC000739116066 600617993 /nfs/dbraw/zinc/61/79/93/600617993.db2.gz YVPHDRHEAKXLCL-OAHLLOKOSA-N -1 0 349.302 2.591 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccncc1 ZINC000736096484 600621450 /nfs/dbraw/zinc/62/14/50/600621450.db2.gz NSBSYOIXHKBNRK-INIZCTEOSA-N -1 0 326.352 2.592 20 30 EFEDRM N#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000739076301 600631927 /nfs/dbraw/zinc/63/19/27/600631927.db2.gz ZJJRHGXPRWKXLI-HNNXBMFYSA-N -1 0 344.754 2.798 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccncc1 ZINC000736096033 600637815 /nfs/dbraw/zinc/63/78/15/600637815.db2.gz GCLJKXAELUMFCD-OAHLLOKOSA-N -1 0 346.408 2.684 20 30 EFEDRM C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)CC1 ZINC000825660044 600657480 /nfs/dbraw/zinc/65/74/80/600657480.db2.gz OIGYRSOQFDTAPL-UHFFFAOYSA-N -1 0 332.356 2.601 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833068450 600666873 /nfs/dbraw/zinc/66/68/73/600666873.db2.gz YWAQDLBFYFNKQQ-KRWDZBQOSA-N -1 0 343.310 2.640 20 30 EFEDRM CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495046 600672540 /nfs/dbraw/zinc/67/25/40/600672540.db2.gz FPOGZQNNULCQPR-QGZVFWFLSA-N -1 0 348.362 2.866 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NCC(=O)NCC3CC3)c2)c1 ZINC000739307987 600676520 /nfs/dbraw/zinc/67/65/20/600676520.db2.gz GMNWQFCAITWTKQ-UHFFFAOYSA-N -1 0 348.402 2.723 20 30 EFEDRM C#Cc1cccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000825636500 600690334 /nfs/dbraw/zinc/69/03/34/600690334.db2.gz MAUIHUIFOFUWFU-AWEZNQCLSA-N -1 0 326.377 2.645 20 30 EFEDRM CCCc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000829571799 600698138 /nfs/dbraw/zinc/69/81/38/600698138.db2.gz XEMNVCMSKJVRRE-AWEZNQCLSA-N -1 0 330.365 2.950 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)c2ccc(NC(=O)[O-])c(O)c2)cc1 ZINC000833070998 600728970 /nfs/dbraw/zinc/72/89/70/600728970.db2.gz FBKGXFZXMASMKF-UHFFFAOYSA-N -1 0 342.307 2.590 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)CCC(C)C)ccc1C(=O)[O-] ZINC000832900873 600739411 /nfs/dbraw/zinc/73/94/11/600739411.db2.gz AIYHJYJMCCSZRG-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000832859137 600777040 /nfs/dbraw/zinc/77/70/40/600777040.db2.gz LRGMVCPLCGBYEQ-UHFFFAOYSA-N -1 0 345.376 2.782 20 30 EFEDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000736312446 600778292 /nfs/dbraw/zinc/77/82/92/600778292.db2.gz MPSYSOYRJINDMV-UHFFFAOYSA-N -1 0 342.351 2.713 20 30 EFEDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000736311377 600779242 /nfs/dbraw/zinc/77/92/42/600779242.db2.gz SLFDXCKNXKCQNH-UHFFFAOYSA-N -1 0 339.351 2.729 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237051839 600779522 /nfs/dbraw/zinc/77/95/22/600779522.db2.gz KTJDLRYTHZEWFK-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000832955277 600789805 /nfs/dbraw/zinc/78/98/05/600789805.db2.gz WMNKHUBBBUSIKA-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000827695402 600790914 /nfs/dbraw/zinc/79/09/14/600790914.db2.gz RULOXBVRFLEKOR-SNVBAGLBSA-N -1 0 339.307 2.656 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000825698861 600793724 /nfs/dbraw/zinc/79/37/24/600793724.db2.gz NYBGQKFQJAYPRZ-UHFFFAOYSA-N -1 0 348.376 2.646 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000825698297 600793825 /nfs/dbraw/zinc/79/38/25/600793825.db2.gz BVXJZGKWXPHWBQ-UHFFFAOYSA-N -1 0 348.376 2.858 20 30 EFEDRM Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1CCCN(C(=O)[O-])C1 ZINC000832889056 600812174 /nfs/dbraw/zinc/81/21/74/600812174.db2.gz CBKPNAFVRHBFHY-ZDUSSCGKSA-N -1 0 328.347 2.530 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000238164972 600829389 /nfs/dbraw/zinc/82/93/89/600829389.db2.gz PRTGJRVIUITGRJ-CQSZACIVSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000736076775 600841108 /nfs/dbraw/zinc/84/11/08/600841108.db2.gz ULYKRUPEVUBUAH-HXUWFJFHSA-N -1 0 337.375 2.819 20 30 EFEDRM C=CC[C@@H](C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737527360 600855382 /nfs/dbraw/zinc/85/53/82/600855382.db2.gz BJHYNUNGTFWFRJ-SECBINFHSA-N -1 0 338.429 2.763 20 30 EFEDRM N#Cc1cccc(OCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000739133167 600855867 /nfs/dbraw/zinc/85/58/67/600855867.db2.gz FRPOBLKBHAHTDQ-AWEZNQCLSA-N -1 0 336.347 2.542 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736108550 600866973 /nfs/dbraw/zinc/86/69/73/600866973.db2.gz ZDPPBJZYKTWWDK-UHFFFAOYSA-N -1 0 346.152 2.818 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000736095103 600888446 /nfs/dbraw/zinc/88/84/46/600888446.db2.gz IWTBBBBDYBJWEO-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM C#CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000736077046 600906031 /nfs/dbraw/zinc/90/60/31/600906031.db2.gz WZRMPJDTOAODEO-SFHVURJKSA-N -1 0 337.375 2.605 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736088690 600933947 /nfs/dbraw/zinc/93/39/47/600933947.db2.gz ATFPCZCFOLVXDE-UHFFFAOYSA-N -1 0 330.315 2.733 20 30 EFEDRM CCn1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1C1CC1 ZINC000737296326 600937400 /nfs/dbraw/zinc/93/74/00/600937400.db2.gz WVSIFRUCBBTUBI-ZDUSSCGKSA-N -1 0 328.397 2.965 20 30 EFEDRM C#C[C@H](C)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000825600599 600959929 /nfs/dbraw/zinc/95/99/29/600959929.db2.gz WXVQLJGWFYPCCJ-LBPRGKRZSA-N -1 0 340.379 2.685 20 30 EFEDRM N#Cc1cccc(-c2nnc(COC(=O)c3ccc(C(=O)[O-])cc3)o2)c1 ZINC000739132448 600981223 /nfs/dbraw/zinc/98/12/23/600981223.db2.gz RAXPRGWIRWNGRL-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC000737983291 600982953 /nfs/dbraw/zinc/98/29/53/600982953.db2.gz TXWXURXOYCBIKZ-KRXBUXKQSA-N -1 0 337.331 2.926 20 30 EFEDRM CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1F ZINC000738174686 600983254 /nfs/dbraw/zinc/98/32/54/600983254.db2.gz CFOBVCAEZRCMJJ-XBXARRHUSA-N -1 0 348.351 2.824 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827680229 601004998 /nfs/dbraw/zinc/00/49/98/601004998.db2.gz ISRPPTUGOAXAKW-LBPRGKRZSA-N -1 0 339.351 2.904 20 30 EFEDRM Cc1sc(NC(=O)CN(CCC#N)CC2CC2)c(C(=O)[O-])c1C ZINC000833034589 601011784 /nfs/dbraw/zinc/01/17/84/601011784.db2.gz YSHKZPKLVNWFAP-UHFFFAOYSA-N -1 0 335.429 2.627 20 30 EFEDRM CC(C)CCN(CCC#N)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000826848956 601016892 /nfs/dbraw/zinc/01/68/92/601016892.db2.gz OJXWADURHZKGKH-UHFFFAOYSA-N -1 0 342.399 2.795 20 30 EFEDRM COCCN(CCC#N)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000831724891 601017491 /nfs/dbraw/zinc/01/74/91/601017491.db2.gz FXKVCDNQECKCBS-UHFFFAOYSA-N -1 0 345.424 2.870 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000739077533 601020323 /nfs/dbraw/zinc/02/03/23/601020323.db2.gz PNUGPLXTSKNXEW-GOSISDBHSA-N -1 0 336.391 2.840 20 30 EFEDRM N#Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1C#N ZINC000739120428 601021356 /nfs/dbraw/zinc/02/13/56/601021356.db2.gz AEZCSOUZWJRDIZ-UHFFFAOYSA-N -1 0 344.330 2.722 20 30 EFEDRM N#CCc1cccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC000739091781 601037427 /nfs/dbraw/zinc/03/74/27/601037427.db2.gz MPHDXTWFVDHXRB-UHFFFAOYSA-N -1 0 327.365 2.717 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F ZINC000737107988 601048057 /nfs/dbraw/zinc/04/80/57/601048057.db2.gz FHLMFTTXEKFWAP-UHFFFAOYSA-N -1 0 348.355 2.611 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000833066203 601059598 /nfs/dbraw/zinc/05/95/98/601059598.db2.gz QEDWJMROSSTNMK-UHFFFAOYSA-N -1 0 345.742 2.578 20 30 EFEDRM N#CCn1c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000738426047 601069356 /nfs/dbraw/zinc/06/93/56/601069356.db2.gz RXOFBDARDLIQLI-INIZCTEOSA-N -1 0 347.374 2.763 20 30 EFEDRM N#Cc1ccc(SCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738434468 601079653 /nfs/dbraw/zinc/07/96/53/601079653.db2.gz GMOPEHLLIQOVCT-MRXNPFEDSA-N -1 0 340.404 2.635 20 30 EFEDRM N#Cc1ccc(CC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000833071624 601080703 /nfs/dbraw/zinc/08/07/03/601080703.db2.gz HVUKDRJYWHVAAC-QZTJIDSGSA-N -1 0 340.423 2.983 20 30 EFEDRM N#Cc1ccc(CC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000833071626 601080731 /nfs/dbraw/zinc/08/07/31/601080731.db2.gz HVUKDRJYWHVAAC-ZWKOTPCHSA-N -1 0 340.423 2.983 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])nc1 ZINC000825636125 601094770 /nfs/dbraw/zinc/09/47/70/601094770.db2.gz CUUHLGMFAMIPCY-RDJZCZTQSA-N -1 0 326.396 2.559 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000825642133 601116403 /nfs/dbraw/zinc/11/64/03/601116403.db2.gz IJZQGIZCPSNFTL-CYBMUJFWSA-N -1 0 348.399 2.771 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827895917 601141051 /nfs/dbraw/zinc/14/10/51/601141051.db2.gz PBJKGYPIYJAVFW-GFCCVEGCSA-N -1 0 342.326 2.582 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827895919 601141063 /nfs/dbraw/zinc/14/10/63/601141063.db2.gz PBJKGYPIYJAVFW-LBPRGKRZSA-N -1 0 342.326 2.582 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829692180 601192135 /nfs/dbraw/zinc/19/21/35/601192135.db2.gz BQCDNZCTYACMNL-UHFFFAOYSA-N -1 0 330.388 2.752 20 30 EFEDRM N#Cc1c(F)cccc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833067301 601201220 /nfs/dbraw/zinc/20/12/20/601201220.db2.gz AEJLASOWTNVIAW-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833062973 601236944 /nfs/dbraw/zinc/23/69/44/601236944.db2.gz GANNGAJHQROLQU-WDMOLILDSA-N -1 0 348.786 2.878 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000827525750 601239966 /nfs/dbraw/zinc/23/99/66/601239966.db2.gz YMSBHGNZKWFLFK-SNPRPXQTSA-N -1 0 331.368 2.760 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)nc21 ZINC000832975571 601240070 /nfs/dbraw/zinc/24/00/70/601240070.db2.gz DGRMMNZLSOCXBN-JHJVBQTASA-N -1 0 325.368 2.939 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)nc21 ZINC000832975575 601240265 /nfs/dbraw/zinc/24/02/65/601240265.db2.gz DGRMMNZLSOCXBN-YNEHKIRRSA-N -1 0 325.368 2.939 20 30 EFEDRM N#Cc1c(N)sc2c1CCN(c1nc(Cl)c(C(=O)[O-])s1)C2 ZINC000833068054 601246919 /nfs/dbraw/zinc/24/69/19/601246919.db2.gz MAGVUBCKXGYQEJ-UHFFFAOYSA-N -1 0 340.817 2.573 20 30 EFEDRM CC(C)CN(CCC#N)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000826871026 601249380 /nfs/dbraw/zinc/24/93/80/601249380.db2.gz KGNGZKYKXGYUGO-UHFFFAOYSA-N -1 0 327.384 2.738 20 30 EFEDRM N#Cc1nc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1Cl ZINC000833078091 601252212 /nfs/dbraw/zinc/25/22/12/601252212.db2.gz BUEGPOAXGCFHFF-NSHDSACASA-N -1 0 331.759 2.668 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C#N)cn1C ZINC000827047489 601256985 /nfs/dbraw/zinc/25/69/85/601256985.db2.gz JNALUCWZJOERNH-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833040403 601265480 /nfs/dbraw/zinc/26/54/80/601265480.db2.gz FPZZEXYWXDESQV-UHFFFAOYSA-N -1 0 343.408 2.857 20 30 EFEDRM CCC1CCC(NC(=O)c2ccccc2OCC#N)(C(=O)[O-])CC1 ZINC000829101671 601275127 /nfs/dbraw/zinc/27/51/27/601275127.db2.gz UFUUTLUBZMLYNM-UHFFFAOYSA-N -1 0 330.384 2.742 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1cccc(C#N)c1)C(=O)[O-] ZINC000827455980 601281834 /nfs/dbraw/zinc/28/18/34/601281834.db2.gz QCZHZTONJJJTOE-OAHLLOKOSA-N -1 0 336.391 2.850 20 30 EFEDRM CN(CCC(=O)Nc1sccc1C#N)c1ccccc1C(=O)[O-] ZINC000830727053 601301321 /nfs/dbraw/zinc/30/13/21/601301321.db2.gz HQOBVUBLGLEXEV-UHFFFAOYSA-N -1 0 329.381 2.783 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(N3CCOC3=O)cc2)C(=O)[O-])c1 ZINC000833076702 601302445 /nfs/dbraw/zinc/30/24/45/601302445.db2.gz YAAWSNGVZNDROP-MRXNPFEDSA-N -1 0 337.335 2.753 20 30 EFEDRM COC(=O)c1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)oc1C ZINC000831249361 601310330 /nfs/dbraw/zinc/31/03/30/601310330.db2.gz ZBDYMWXJMWDWQS-INIZCTEOSA-N -1 0 342.351 2.504 20 30 EFEDRM COC(=O)c1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)oc1C ZINC000831249362 601310479 /nfs/dbraw/zinc/31/04/79/601310479.db2.gz ZBDYMWXJMWDWQS-MRXNPFEDSA-N -1 0 342.351 2.504 20 30 EFEDRM Cc1csc([C@@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CCO2)n1 ZINC000832988969 601314188 /nfs/dbraw/zinc/31/41/88/601314188.db2.gz CEIAOIVYEVFWHI-LSDHHAIUSA-N -1 0 343.408 2.522 20 30 EFEDRM N#CCc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000324871116 601321604 /nfs/dbraw/zinc/32/16/04/601321604.db2.gz OKJAXTOICANUBF-YHYXMXQVSA-N -1 0 342.376 2.651 20 30 EFEDRM COC(=O)c1ccc(/C=C2\CC/C(=C/c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831379141 601330122 /nfs/dbraw/zinc/33/01/22/601330122.db2.gz KZBKJRFJSFUKAM-PNQPDEHRSA-N -1 0 340.335 2.658 20 30 EFEDRM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CC2 ZINC000829869978 601330862 /nfs/dbraw/zinc/33/08/62/601330862.db2.gz ZCKZPTOCZQAPJY-CSKARUKUSA-N -1 0 342.351 2.739 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1NC(C)=O ZINC000832157772 601331554 /nfs/dbraw/zinc/33/15/54/601331554.db2.gz VPKZEQDTYIBPHE-ALCCZGGFSA-N -1 0 328.324 2.576 20 30 EFEDRM COc1cc(OC)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832041117 601344166 /nfs/dbraw/zinc/34/41/66/601344166.db2.gz OBXLDUXRKYMVNL-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)ccc2O)C(=O)[O-])c1 ZINC000833076071 601345197 /nfs/dbraw/zinc/34/51/97/601345197.db2.gz IFJNRVYETRMVKK-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM COc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832378388 601345764 /nfs/dbraw/zinc/34/57/64/601345764.db2.gz LXDUMDFFGHYLBC-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832545550 601347446 /nfs/dbraw/zinc/34/74/46/601347446.db2.gz JKDPYWRGXLNGBT-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827902862 601348037 /nfs/dbraw/zinc/34/80/37/601348037.db2.gz WGLHRCZIJXBMFD-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894937 601348132 /nfs/dbraw/zinc/34/81/32/601348132.db2.gz CSUADAOGKHPIBT-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@H](Oc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827902864 601348239 /nfs/dbraw/zinc/34/82/39/601348239.db2.gz WGLHRCZIJXBMFD-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM CO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000831479277 601349427 /nfs/dbraw/zinc/34/94/27/601349427.db2.gz LVKPNGCWDMCHLD-HZPDHXFCSA-N -1 0 325.320 2.615 20 30 EFEDRM Cc1nc2ccccc2n1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833005479 601349655 /nfs/dbraw/zinc/34/96/55/601349655.db2.gz BJEQQCFCDDWJPU-GOSISDBHSA-N -1 0 349.346 2.586 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(NC3CC3)nc2)C(=O)[O-])c1 ZINC000833076090 601350724 /nfs/dbraw/zinc/35/07/24/601350724.db2.gz IPMHFJUFZVEMRV-MRXNPFEDSA-N -1 0 337.335 2.510 20 30 EFEDRM CCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000830309982 601350908 /nfs/dbraw/zinc/35/09/08/601350908.db2.gz UKVCXHOCCCYYII-CYBMUJFWSA-N -1 0 330.365 2.868 20 30 EFEDRM Cc1ccc(F)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832935753 601351129 /nfs/dbraw/zinc/35/11/29/601351129.db2.gz MPJDCQZVQHOGNR-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM COc1cc(C)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1O ZINC000831967162 601352757 /nfs/dbraw/zinc/35/27/57/601352757.db2.gz RKBFFRGEFHRUCM-INIZCTEOSA-N -1 0 341.319 2.564 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828251919 601353418 /nfs/dbraw/zinc/35/34/18/601353418.db2.gz NSWLDDWMLUDTGN-PVUWLOKVSA-N -1 0 331.368 2.822 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833064108 601427729 /nfs/dbraw/zinc/42/77/29/601427729.db2.gz FIKNHPYZIBNLFO-DOTOQJQBSA-N -1 0 335.363 2.692 20 30 EFEDRM C=CCCCC(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000825671004 601430485 /nfs/dbraw/zinc/43/04/85/601430485.db2.gz AIJSPEMUQJGVMF-UHFFFAOYSA-N -1 0 337.397 2.773 20 30 EFEDRM C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000818046284 601435865 /nfs/dbraw/zinc/43/58/65/601435865.db2.gz QGYLCPWOZBRTDO-NSHDSACASA-N -1 0 326.377 2.912 20 30 EFEDRM N#Cc1c[nH]c(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000833068024 601438275 /nfs/dbraw/zinc/43/82/75/601438275.db2.gz LHODDPQRKOWBGE-KRWDZBQOSA-N -1 0 347.374 2.713 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2cc(C(=O)[O-])oc2CC)cs1 ZINC000825692088 601460071 /nfs/dbraw/zinc/46/00/71/601460071.db2.gz HOGVBJQKPFUFRJ-UHFFFAOYSA-N -1 0 336.369 2.952 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833074929 601475386 /nfs/dbraw/zinc/47/53/86/601475386.db2.gz GLAZQIUWXISJBC-ZBTAVZRMSA-N -1 0 332.359 2.782 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000833071607 601479837 /nfs/dbraw/zinc/47/98/37/601479837.db2.gz HUFHQAPJBAHZOB-IBGZPJMESA-N -1 0 334.375 2.701 20 30 EFEDRM Cc1cc(C(=O)Oc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832869682 601499461 /nfs/dbraw/zinc/49/94/61/601499461.db2.gz JVGGWDXLFUOXRF-UHFFFAOYSA-N -1 0 325.320 2.858 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1 ZINC000825698369 601515539 /nfs/dbraw/zinc/51/55/39/601515539.db2.gz GWEFLJARGNOBHA-UHFFFAOYSA-N -1 0 340.379 2.764 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c(N)c(F)ccc2Cl)C(=O)[O-])cc1 ZINC000833072204 601567550 /nfs/dbraw/zinc/56/75/50/601567550.db2.gz LMCXHMUQFXLBAZ-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM CCc1noc(CC)c1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830347900 601604550 /nfs/dbraw/zinc/60/45/50/601604550.db2.gz LKWOEHUEILAMSO-KRWDZBQOSA-N -1 0 342.351 2.583 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2c(F)cccc2F)C(=O)[O-])cc1 ZINC000833073157 601608329 /nfs/dbraw/zinc/60/83/29/601608329.db2.gz WFWSTKHGDULHHC-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCSc2ccccn2)C(=O)[O-])cc1 ZINC000833072215 601610757 /nfs/dbraw/zinc/61/07/57/601610757.db2.gz LQIBJHVUKVBFJV-INIZCTEOSA-N -1 0 342.376 2.805 20 30 EFEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)[O-] ZINC000827492510 601618931 /nfs/dbraw/zinc/61/89/31/601618931.db2.gz BJUSGEUHCBMAOB-NSHDSACASA-N -1 0 340.339 2.588 20 30 EFEDRM N#Cc1cc(C#N)c(SCc2ccc(C(=O)[O-])c(F)c2)nc1N ZINC000833067996 601632337 /nfs/dbraw/zinc/63/23/37/601632337.db2.gz KOUGCHFXTJMXEP-UHFFFAOYSA-N -1 0 328.328 2.537 20 30 EFEDRM Cc1oc(CN(C)C(=O)c2c(F)cc(C#N)cc2F)cc1C(=O)[O-] ZINC000833025527 601643589 /nfs/dbraw/zinc/64/35/89/601643589.db2.gz MKVUVTOOZLQJEH-UHFFFAOYSA-N -1 0 334.278 2.708 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1c(F)cc(C#N)cc1F ZINC000831917644 601647322 /nfs/dbraw/zinc/64/73/22/601647322.db2.gz ILSIMAUVSOBSCS-UHFFFAOYSA-N -1 0 333.246 2.762 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833075049 601651169 /nfs/dbraw/zinc/65/11/69/601651169.db2.gz KEGPKVOHRQUXNH-LJQANCHMSA-N -1 0 338.338 2.864 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000831837400 601699105 /nfs/dbraw/zinc/69/91/05/601699105.db2.gz ZOLZBASWFGXYOC-HNNXBMFYSA-N -1 0 346.770 2.876 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1ccccc1C#N ZINC000833032294 601703428 /nfs/dbraw/zinc/70/34/28/601703428.db2.gz YBDCACUAXLOOGJ-UHFFFAOYSA-N -1 0 331.349 2.749 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825631420 601727433 /nfs/dbraw/zinc/72/74/33/601727433.db2.gz DFOMMCOUJKKAGO-UHFFFAOYSA-N -1 0 334.347 2.604 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825967401 601754270 /nfs/dbraw/zinc/75/42/70/601754270.db2.gz WAPPQVPBVMOUBX-MRVPVSSYSA-N -1 0 345.277 2.607 20 30 EFEDRM CC(C)CN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000826871488 601761419 /nfs/dbraw/zinc/76/14/19/601761419.db2.gz XZZVWSIVCYCYHU-UHFFFAOYSA-N -1 0 349.456 2.745 20 30 EFEDRM COc1cc(C#N)ccc1OCCn1nc(C)c([C@H](C)C(=O)[O-])c1C ZINC000831861097 601778349 /nfs/dbraw/zinc/77/83/49/601778349.db2.gz NRNZNTCFVGFYDV-NSHDSACASA-N -1 0 343.383 2.647 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1NC(C)=O ZINC000832157834 601793032 /nfs/dbraw/zinc/79/30/32/601793032.db2.gz ZYAMFMLWTXSFIE-HYXAFXHYSA-N -1 0 328.324 2.576 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1C(=O)[O-] ZINC000828377056 601793045 /nfs/dbraw/zinc/79/30/45/601793045.db2.gz GBPPZWMSQHLVGG-RDTXWAMCSA-N -1 0 349.390 2.666 20 30 EFEDRM O=C([O-])c1cc(CN=Nc2ncnc3sc4c(c32)CCC4)c[nH]1 ZINC000814725979 601795970 /nfs/dbraw/zinc/79/59/70/601795970.db2.gz HMTRHLVIDQHTSH-UHFFFAOYSA-N -1 0 327.369 2.652 20 30 EFEDRM O=C([O-])c1cc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)c[nH]1 ZINC000814750977 601796440 /nfs/dbraw/zinc/79/64/40/601796440.db2.gz BXCYVSXXATUEHE-UHFFFAOYSA-N -1 0 347.787 2.796 20 30 EFEDRM CC(C)Oc1ccc(NC(=S)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000814830201 601797404 /nfs/dbraw/zinc/79/74/04/601797404.db2.gz BLPMLYGYSHVHRC-UHFFFAOYSA-N -1 0 346.412 2.821 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000825608761 601812463 /nfs/dbraw/zinc/81/24/63/601812463.db2.gz JURIBKLWJGYESV-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833065178 601829385 /nfs/dbraw/zinc/82/93/85/601829385.db2.gz UOYSPDZOAAZTOI-MRXNPFEDSA-N -1 0 341.436 2.829 20 30 EFEDRM N#CCOc1ccccc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833067983 601873838 /nfs/dbraw/zinc/87/38/38/601873838.db2.gz MAHYWRQHXZEUSS-UHFFFAOYSA-N -1 0 343.360 2.985 20 30 EFEDRM N#CCCN(C(=O)CNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000833065660 601909903 /nfs/dbraw/zinc/90/99/03/601909903.db2.gz JCJOHNKXFLKNKN-UHFFFAOYSA-N -1 0 341.342 2.883 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262154893 601914091 /nfs/dbraw/zinc/91/40/91/601914091.db2.gz OVIHGKIBVOFZOQ-NUEKZKHPSA-N -1 0 344.411 2.865 20 30 EFEDRM Cc1nc(=O)[nH]c(SCCCOc2cccc(C#N)c2)c1C(=O)[O-] ZINC000832842737 601955685 /nfs/dbraw/zinc/95/56/85/601955685.db2.gz HEEZKFAKBYWDLB-UHFFFAOYSA-N -1 0 345.380 2.622 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825676087 602005611 /nfs/dbraw/zinc/00/56/11/602005611.db2.gz SSDODUYFKBQPLZ-YMTOWFKASA-N -1 0 345.317 2.669 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2nncc3ccccc32)cc1)C(=O)[O-] ZINC000794860552 602066918 /nfs/dbraw/zinc/06/69/18/602066918.db2.gz SERRZQGLDSPLBI-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2ncnc3sccc32)cc1)C(=O)[O-] ZINC000794887030 602069532 /nfs/dbraw/zinc/06/95/32/602069532.db2.gz DVAGRAKKXIKYDL-JTQLQIEISA-N -1 0 342.380 2.989 20 30 EFEDRM N#CCSCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833068421 602083862 /nfs/dbraw/zinc/08/38/62/602083862.db2.gz YRKASADJUDXANQ-NSHDSACASA-N -1 0 334.180 2.919 20 30 EFEDRM CCCc1c(C(=O)Nc2cc(CC#N)ccn2)[nH]c(C)c1C(=O)[O-] ZINC000829562784 602107532 /nfs/dbraw/zinc/10/75/32/602107532.db2.gz XGQBYXXOPXDIHH-UHFFFAOYSA-N -1 0 326.356 2.687 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833013376 602110617 /nfs/dbraw/zinc/11/06/17/602110617.db2.gz LDUZIWUIQUWEJZ-SZNGSJQDSA-N -1 0 328.368 2.785 20 30 EFEDRM N#Cc1ccnc(Nc2ccc(OCCCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000833076997 602130569 /nfs/dbraw/zinc/13/05/69/602130569.db2.gz UZRDTKBTVPJHEX-UHFFFAOYSA-N -1 0 342.311 2.849 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)c[nH]1 ZINC000833297204 602149668 /nfs/dbraw/zinc/14/96/68/602149668.db2.gz CHQQOFHYKAMBOT-PLNGDYQASA-N -1 0 344.342 2.585 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000833030875 602160727 /nfs/dbraw/zinc/16/07/27/602160727.db2.gz FEXWIQNJPKBPAE-UHFFFAOYSA-N -1 0 342.380 2.886 20 30 EFEDRM C#CCOc1cccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000825632400 602171382 /nfs/dbraw/zinc/17/13/82/602171382.db2.gz ZDDLRUZLEKQYED-SFHVURJKSA-N -1 0 341.363 2.954 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000827241007 602182242 /nfs/dbraw/zinc/18/22/42/602182242.db2.gz QXNISIPCPVCZLJ-APPZFPTMSA-N -1 0 343.166 2.752 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833073037 602187279 /nfs/dbraw/zinc/18/72/79/602187279.db2.gz FLAKONAIVVIQOI-AWEZNQCLSA-N -1 0 341.392 2.925 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832842546 602187287 /nfs/dbraw/zinc/18/72/87/602187287.db2.gz DLDQXVXYTJHOKE-UHFFFAOYSA-N -1 0 345.380 2.607 20 30 EFEDRM C#CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000825605683 602206122 /nfs/dbraw/zinc/20/61/22/602206122.db2.gz MQZYAGXLSUAFEM-UHFFFAOYSA-N -1 0 326.299 2.911 20 30 EFEDRM Cc1[nH]c(C(=O)Nc2ccc(F)cc2OCC#N)c(C)c1C(=O)[O-] ZINC000832845802 602237840 /nfs/dbraw/zinc/23/78/40/602237840.db2.gz BFISGSLOROMRRL-UHFFFAOYSA-N -1 0 331.303 2.624 20 30 EFEDRM C=CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1cnccn1 ZINC000825711027 602241919 /nfs/dbraw/zinc/24/19/19/602241919.db2.gz LVAXQODQDLYVSD-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736105656 602257350 /nfs/dbraw/zinc/25/73/50/602257350.db2.gz CUAPGYNTDBRDLX-UHFFFAOYSA-N -1 0 339.351 2.945 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000833031971 602263078 /nfs/dbraw/zinc/26/30/78/602263078.db2.gz RIDYAHHAIBQVTN-UHFFFAOYSA-N -1 0 344.344 2.578 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@](C)(COC)CC(=O)[O-])c1 ZINC000825648030 602293802 /nfs/dbraw/zinc/29/38/02/602293802.db2.gz ZWKCLZXMWJZHMK-QGZVFWFLSA-N -1 0 336.388 2.643 20 30 EFEDRM COc1cc(F)cc(NN=Cc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC000832010242 602312463 /nfs/dbraw/zinc/31/24/63/602312463.db2.gz FHFCHQNVFRKHLH-UHFFFAOYSA-N -1 0 334.351 2.568 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000832910350 602319450 /nfs/dbraw/zinc/31/94/50/602319450.db2.gz CEHKBKPHYIJHEK-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736200271 602654755 /nfs/dbraw/zinc/65/47/55/602654755.db2.gz BBOUKLCFODBJFG-LBPRGKRZSA-N -1 0 348.428 2.766 20 30 EFEDRM CN(CCCC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000737417913 602727907 /nfs/dbraw/zinc/72/79/07/602727907.db2.gz MNJBNPQZTIGPLX-GFCCVEGCSA-N -1 0 343.305 2.776 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc21 ZINC000830611904 604190818 /nfs/dbraw/zinc/19/08/18/604190818.db2.gz PPWOKVHFHMTAIH-GFCCVEGCSA-N -1 0 335.323 2.846 20 30 EFEDRM CCNc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829813941 604431717 /nfs/dbraw/zinc/43/17/17/604431717.db2.gz ZUXMXKIPVVPUDZ-LBPRGKRZSA-N -1 0 345.380 2.738 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833536392 604497822 /nfs/dbraw/zinc/49/78/22/604497822.db2.gz CBIRXFDJASLGFJ-VEAWUBTESA-N -1 0 331.368 2.902 20 30 EFEDRM C=CCc1cc(OC)cc(CN(CC(=O)[O-])CC(F)(F)F)c1O ZINC000833379402 604500953 /nfs/dbraw/zinc/50/09/53/604500953.db2.gz BYSATQYSRMQOFJ-UHFFFAOYSA-N -1 0 333.306 2.578 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000828587985 604519610 /nfs/dbraw/zinc/51/96/10/604519610.db2.gz YTKVGHOGHLIXFR-CABCVRRESA-N -1 0 345.399 2.516 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000826090639 604535518 /nfs/dbraw/zinc/53/55/18/604535518.db2.gz VISHOWXRAFAEIJ-OAHLLOKOSA-N -1 0 329.400 2.784 20 30 EFEDRM COc1cc(NCc2cccc(C(=O)[O-])c2C#N)cc(OC)c1OC ZINC000833730166 604538973 /nfs/dbraw/zinc/53/89/73/604538973.db2.gz ZDQNNXBEKPHLMF-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM C[C@@H]1C(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C(=O)N1c1ccccc1 ZINC000833584010 604546875 /nfs/dbraw/zinc/54/68/75/604546875.db2.gz MYTHWNPGPKATEN-GFCCVEGCSA-N -1 0 349.346 2.614 20 30 EFEDRM N#Cc1c(Cn2nc(-c3ccc(F)cc3)ccc2=O)cccc1C(=O)[O-] ZINC000833761408 604548145 /nfs/dbraw/zinc/54/81/45/604548145.db2.gz ZHFGVSSJXBMAHH-UHFFFAOYSA-N -1 0 349.321 2.668 20 30 EFEDRM C[C@H]1CCc2c(sc(=O)n2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833617474 604549360 /nfs/dbraw/zinc/54/93/60/604549360.db2.gz SBMOWQCYQNYIBI-JTQLQIEISA-N -1 0 328.393 2.653 20 30 EFEDRM CC(=O)c1ccc(OCc2cccc(C(=O)[O-])c2C#N)c([N+](=O)[O-])c1 ZINC000833401407 604550130 /nfs/dbraw/zinc/55/01/30/604550130.db2.gz KKQQTFOBBPDROL-UHFFFAOYSA-N -1 0 340.291 2.946 20 30 EFEDRM C#CCOCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000833364354 604559327 /nfs/dbraw/zinc/55/93/27/604559327.db2.gz PJZOBVYCXDQPEI-INIZCTEOSA-N -1 0 331.412 2.656 20 30 EFEDRM C[C@H](Oc1ccccc1F)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833542471 604580643 /nfs/dbraw/zinc/58/06/43/604580643.db2.gz JAGYMODIZDRXGH-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM CC(C)(C)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)n[nH]1 ZINC000833450770 604582209 /nfs/dbraw/zinc/58/22/09/604582209.db2.gz ZRXCGCCVPOLVMX-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM CCc1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC000833673194 604583010 /nfs/dbraw/zinc/58/30/10/604583010.db2.gz IAEJHSDVHSHKOD-UHFFFAOYSA-N -1 0 330.365 2.941 20 30 EFEDRM CC(C)c1ncncc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833512241 604583055 /nfs/dbraw/zinc/58/30/55/604583055.db2.gz RFOPUUZZBIIGNY-UHFFFAOYSA-N -1 0 325.324 2.527 20 30 EFEDRM Cc1cc(F)cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1N ZINC000833744980 604583718 /nfs/dbraw/zinc/58/37/18/604583718.db2.gz NPEONDPGFCXAPV-UHFFFAOYSA-N -1 0 328.299 2.643 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1(C#N)CC(C)C1 ZINC000832916074 604604410 /nfs/dbraw/zinc/60/44/10/604604410.db2.gz KVTSGLYEUFGIIB-WESRAFIDSA-N -1 0 344.367 2.503 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ncc(C#N)cc1Cl ZINC000830001231 604635385 /nfs/dbraw/zinc/63/53/85/604635385.db2.gz ULQDJXOMTTUJNS-LLVKDONJSA-N -1 0 325.796 2.560 20 30 EFEDRM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C(=O)[O-])cc1 ZINC000825804865 604635736 /nfs/dbraw/zinc/63/57/36/604635736.db2.gz ZXFSCUFVQGTWBH-UHFFFAOYSA-N -1 0 346.408 2.704 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000825804854 604636009 /nfs/dbraw/zinc/63/60/09/604636009.db2.gz YWUBDVLPPZYNHL-UHFFFAOYSA-N -1 0 327.409 2.773 20 30 EFEDRM CC(=NNS(=O)(=O)Cc1ccccc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814816481 604638026 /nfs/dbraw/zinc/63/80/26/604638026.db2.gz OVLBERPTBZVITL-ZDUSSCGKSA-N -1 0 340.445 2.763 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccccc1 ZINC000833362769 604638172 /nfs/dbraw/zinc/63/81/72/604638172.db2.gz KGGFOTCLSJWYIT-HNNXBMFYSA-N -1 0 343.404 2.736 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1C#N ZINC000827054972 604640106 /nfs/dbraw/zinc/64/01/06/604640106.db2.gz SCEBHTXWJNFFIV-CQSZACIVSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000827054631 604640162 /nfs/dbraw/zinc/64/01/62/604640162.db2.gz MFSVUCASBTUOAY-SMDDNHRTSA-N -1 0 331.372 2.530 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1C#N ZINC000827055191 604640276 /nfs/dbraw/zinc/64/02/76/604640276.db2.gz ZIJORQNFUHMYHU-CQSZACIVSA-N -1 0 331.372 2.816 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C ZINC000829027079 604648782 /nfs/dbraw/zinc/64/87/82/604648782.db2.gz MPVXOMSIWXGOMA-QFBILLFUSA-N -1 0 345.443 2.579 20 30 EFEDRM C[C@H](Oc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1)C(=O)[O-] ZINC000833538153 604685664 /nfs/dbraw/zinc/68/56/64/604685664.db2.gz QYHRFVGSOHZMNF-CDDSVFCYSA-N -1 0 339.347 2.852 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833373754 604688571 /nfs/dbraw/zinc/68/85/71/604688571.db2.gz BPCPZSLLWCJKNV-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000825692174 604743481 /nfs/dbraw/zinc/74/34/81/604743481.db2.gz LRMVRPHGWQEZEQ-SMDDNHRTSA-N -1 0 345.424 2.933 20 30 EFEDRM C=CCOCCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000825699106 604784312 /nfs/dbraw/zinc/78/43/12/604784312.db2.gz RPTWXRNJLKEJED-UHFFFAOYSA-N -1 0 346.427 2.771 20 30 EFEDRM CC(=NNc1ccc(Cl)c(Cl)c1)c1cn(CC(=O)[O-])nn1 ZINC000825809121 604785173 /nfs/dbraw/zinc/78/51/73/604785173.db2.gz OBMQCPORSRUKDT-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM CC(=NNc1cc(Cl)ccc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000825804399 604786570 /nfs/dbraw/zinc/78/65/70/604786570.db2.gz IKWSPYSQNYLUGK-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM Cc1c(C#N)cccc1NCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000832849712 604801477 /nfs/dbraw/zinc/80/14/77/604801477.db2.gz QJIQGECPNYPLRQ-UHFFFAOYSA-N -1 0 338.367 2.685 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc2cc(Br)ccc2c1 ZINC000833065803 604827157 /nfs/dbraw/zinc/82/71/57/604827157.db2.gz IHXWMDFMZIXBEL-UHFFFAOYSA-N -1 0 347.168 2.653 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000833414931 604894094 /nfs/dbraw/zinc/89/40/94/604894094.db2.gz HDWFOQCHNDUQCQ-SCOAYWHSSA-N -1 0 326.396 2.921 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000833414939 604894409 /nfs/dbraw/zinc/89/44/09/604894409.db2.gz HDWFOQCHNDUQCQ-ZBTGYSDGSA-N -1 0 326.396 2.921 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000833554513 604902781 /nfs/dbraw/zinc/90/27/81/604902781.db2.gz WCIIHYUEPIVCSK-AWEZNQCLSA-N -1 0 327.167 2.802 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2cncc(C(=O)[O-])c2)c(OC)c1 ZINC000825705604 604910077 /nfs/dbraw/zinc/91/00/77/604910077.db2.gz OIJSLTDWIWGXIQ-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C#N)cc1 ZINC000827678647 604973045 /nfs/dbraw/zinc/97/30/45/604973045.db2.gz CJSPWQLUZKKNDQ-JTQLQIEISA-N -1 0 344.396 2.915 20 30 EFEDRM COc1ccc(C#N)cc1CNc1cc(C(=O)[O-])cc(OC)c1OC ZINC000832152407 604984052 /nfs/dbraw/zinc/98/40/52/604984052.db2.gz DBABOWRHOVNIDS-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000833417263 604986761 /nfs/dbraw/zinc/98/67/61/604986761.db2.gz NWHMHDUIZHTYNC-CQSZACIVSA-N -1 0 347.390 2.730 20 30 EFEDRM C=CCNC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000825687490 604988475 /nfs/dbraw/zinc/98/84/75/604988475.db2.gz MEWDGNNURFNRET-OAHLLOKOSA-N -1 0 326.356 2.627 20 30 EFEDRM CCc1nc(NC(=O)[C@@H](C)Oc2ccccc2C#N)sc1C(=O)[O-] ZINC000833672922 604993323 /nfs/dbraw/zinc/99/33/23/604993323.db2.gz FBPHMUWOFNPZKY-SECBINFHSA-N -1 0 345.380 2.681 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)s1 ZINC000833376208 605007039 /nfs/dbraw/zinc/00/70/39/605007039.db2.gz XICCWDFUJABUCI-UHFFFAOYSA-N -1 0 338.414 2.710 20 30 EFEDRM COC(=O)c1cc(OCc2cc(C#N)ccc2OC)cc(C(=O)[O-])c1 ZINC000831331641 605010265 /nfs/dbraw/zinc/01/02/65/605010265.db2.gz YBXLUQQERAETAE-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM C#CCCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833362845 605014352 /nfs/dbraw/zinc/01/43/52/605014352.db2.gz MYIUTDXYYHPCBZ-HNNXBMFYSA-N -1 0 327.302 2.882 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000833368111 605024212 /nfs/dbraw/zinc/02/42/12/605024212.db2.gz HDCCDMXNDOIUKQ-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833488292 605025135 /nfs/dbraw/zinc/02/51/35/605025135.db2.gz NYOXSVKBISCRAR-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC000833761375 605026144 /nfs/dbraw/zinc/02/61/44/605026144.db2.gz XNCLNZMQQGOYMP-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)N[C@H]1CCCC[C@H]1C ZINC000833611850 605038587 /nfs/dbraw/zinc/03/85/87/605038587.db2.gz KPLNCDHHDRDOJX-BZPMIXESSA-N -1 0 336.461 2.510 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000833547541 605056401 /nfs/dbraw/zinc/05/64/01/605056401.db2.gz UVKGLYSYTLZONP-PXAZEXFGSA-N -1 0 326.352 2.984 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000833547542 605056675 /nfs/dbraw/zinc/05/66/75/605056675.db2.gz UVKGLYSYTLZONP-SJCJKPOMSA-N -1 0 326.352 2.984 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833372916 605057170 /nfs/dbraw/zinc/05/71/70/605057170.db2.gz ATQSPNSQCAUOLV-JTQLQIEISA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833373210 605057300 /nfs/dbraw/zinc/05/73/00/605057300.db2.gz HOQFWRGKUQIIMO-SNVBAGLBSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833378480 605077897 /nfs/dbraw/zinc/07/78/97/605077897.db2.gz FRJVNZRAJHSZBZ-INIZCTEOSA-N -1 0 338.319 2.501 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833373524 605084532 /nfs/dbraw/zinc/08/45/32/605084532.db2.gz RKEDJESHDUGQEA-ZDUSSCGKSA-N -1 0 347.415 2.596 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833372877 605084555 /nfs/dbraw/zinc/08/45/55/605084555.db2.gz AEVLHBMBPAYWNX-JTQLQIEISA-N -1 0 338.791 2.838 20 30 EFEDRM C[C@@H]1CC(=NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)NO1 ZINC000833600547 605088039 /nfs/dbraw/zinc/08/80/39/605088039.db2.gz LSEVSEDKAYIUOF-ZCFIWIBFSA-N -1 0 331.250 2.647 20 30 EFEDRM CC(=O)N(c1nc(C=NNc2ccccc2C(=O)[O-])cs1)C1CC1 ZINC000734295877 605099568 /nfs/dbraw/zinc/09/95/68/605099568.db2.gz DCUYZHCJAJQPDL-UHFFFAOYSA-N -1 0 344.396 2.803 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000833783702 605099730 /nfs/dbraw/zinc/09/97/30/605099730.db2.gz DZKGVMUQEOQGMM-UHFFFAOYSA-N -1 0 343.295 2.510 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000833374595 605104092 /nfs/dbraw/zinc/10/40/92/605104092.db2.gz SJIAKQJUUAUDSG-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000833369099 605130768 /nfs/dbraw/zinc/13/07/68/605130768.db2.gz FIHOTCWQYLHLBC-UHFFFAOYSA-N -1 0 340.401 2.971 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000164739570 605130965 /nfs/dbraw/zinc/13/09/65/605130965.db2.gz NEFDXVGPZGWXFG-UHFFFAOYSA-N -1 0 325.162 2.634 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132552258 605131672 /nfs/dbraw/zinc/13/16/72/605131672.db2.gz GUXMXLMIRMZLOW-QMMMGPOBSA-N -1 0 340.177 2.913 20 30 EFEDRM C=C(C)CN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)SC1=S ZINC000833369399 605145863 /nfs/dbraw/zinc/14/58/63/605145863.db2.gz VJHOJKSQYVFACA-NTUHNPAUSA-N -1 0 349.433 2.927 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833684064 605155957 /nfs/dbraw/zinc/15/59/57/605155957.db2.gz PEQKFRTVRKMHSZ-UHFFFAOYSA-N -1 0 340.383 2.757 20 30 EFEDRM C=CCn1c(C)nn(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1=S ZINC000833380164 605155940 /nfs/dbraw/zinc/15/59/40/605155940.db2.gz WBRGYRVNVJGOIE-CQSZACIVSA-N -1 0 344.440 2.945 20 30 EFEDRM C#CCOc1ccc(N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833367278 605195613 /nfs/dbraw/zinc/19/56/13/605195613.db2.gz UDPOJSPUCLYXSD-QGZVFWFLSA-N -1 0 339.347 2.723 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 ZINC000833410771 605215482 /nfs/dbraw/zinc/21/54/82/605215482.db2.gz GMRSYGKIDFMXPE-LIRRHRJNSA-N -1 0 336.391 2.873 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833760193 605243595 /nfs/dbraw/zinc/24/35/95/605243595.db2.gz JVOOSRSGOQFWFW-UHFFFAOYSA-N -1 0 339.351 2.644 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833375094 605252995 /nfs/dbraw/zinc/25/29/95/605252995.db2.gz VYMPTEJTLGBAFO-SFHVURJKSA-N -1 0 331.412 2.960 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000833636444 605261866 /nfs/dbraw/zinc/26/18/66/605261866.db2.gz RPPQCVSSWVWIRS-CQSZACIVSA-N -1 0 332.400 2.875 20 30 EFEDRM CC(C)C[C@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC000833482634 605263844 /nfs/dbraw/zinc/26/38/44/605263844.db2.gz RYHFAARQPMSEAS-LBPRGKRZSA-N -1 0 340.832 2.919 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833684172 605272508 /nfs/dbraw/zinc/27/25/08/605272508.db2.gz RNCJERFOYXSACK-UHFFFAOYSA-N -1 0 348.362 2.807 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC000833367948 605302559 /nfs/dbraw/zinc/30/25/59/605302559.db2.gz CCTHVDLIGSMOHU-GOSISDBHSA-N -1 0 330.343 2.772 20 30 EFEDRM C=CCOCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833376069 605308282 /nfs/dbraw/zinc/30/82/82/605308282.db2.gz RWYBCGZBZLXFPG-GFCCVEGCSA-N -1 0 331.290 2.540 20 30 EFEDRM C=CCN1C(=O)N=NC1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380508 605336624 /nfs/dbraw/zinc/33/66/24/605336624.db2.gz IDXPFYCBYPSGNC-SNVBAGLBSA-N -1 0 343.767 2.880 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833374259 605500922 /nfs/dbraw/zinc/50/09/22/605500922.db2.gz DMJDTNXHZBHXRW-UHFFFAOYSA-N -1 0 342.395 2.961 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833433548 605573507 /nfs/dbraw/zinc/57/35/07/605573507.db2.gz XNHILMVETWHZNM-KRWDZBQOSA-N -1 0 332.356 2.585 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000729818072 605592594 /nfs/dbraw/zinc/59/25/94/605592594.db2.gz FSCWHZHLUNOVHP-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM C[C@@H](Sc1ccccn1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833544771 605717534 /nfs/dbraw/zinc/71/75/34/605717534.db2.gz IWFAEUVUMICOJE-ABAIWWIYSA-N -1 0 342.376 2.803 20 30 EFEDRM Cc1cc(C)n(N=C[C@@H]2CCCC(C)(C)C2)c(=O)c1-c1nnn[n-]1 ZINC000826265171 607782517 /nfs/dbraw/zinc/78/25/17/607782517.db2.gz OKZTUPGQIASRLL-CYBMUJFWSA-N -1 0 328.420 2.696 20 30 EFEDRM CN(CC(=O)[N-]S(=O)(=O)CC1CCCCC1)Cc1ccccc1 ZINC000089968002 1249521215 /nfs/dbraw/zinc/52/12/15/1249521215.db2.gz OFNHJPPTTBNGII-UHFFFAOYSA-N -1 0 338.473 2.985 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000390342833 1248303033 /nfs/dbraw/zinc/30/30/33/1248303033.db2.gz KEEGMCXRBWEGPL-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)C1[C@@H]3CCCCCC[C@@H]13)cc2=O ZINC000850307555 1250416679 /nfs/dbraw/zinc/41/66/79/1250416679.db2.gz YUFSZIIFGSWCRO-ZIAGYGMSSA-N -1 0 340.383 2.566 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)C(=O)[N-]OCC2CCC2)c1C#N ZINC000850719539 1250578255 /nfs/dbraw/zinc/57/82/55/1250578255.db2.gz KRLGKWOIVLBKJE-UHFFFAOYSA-N -1 0 335.429 2.704 20 30 EFEDRM C[C@H]1Cc2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2O1 ZINC000850758172 1250596468 /nfs/dbraw/zinc/59/64/68/1250596468.db2.gz ZNBCFXKILBSEEM-BLLLJJGKSA-N -1 0 326.396 2.781 20 30 EFEDRM Cc1c(F)c(Br)ccc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000850761240 1250599634 /nfs/dbraw/zinc/59/96/34/1250599634.db2.gz JDVVWKWMLYRNOE-JTQLQIEISA-N -1 0 341.180 2.744 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)NC(C)C)c1C ZINC000850762625 1250601073 /nfs/dbraw/zinc/60/10/73/1250601073.db2.gz ZZCVBDCMIYDSMH-ZDUSSCGKSA-N -1 0 337.217 2.913 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)CCc2ccccc2)CCCCC1 ZINC000850803826 1250623386 /nfs/dbraw/zinc/62/33/86/1250623386.db2.gz VPFSTKLVVZODIM-UHFFFAOYSA-N -1 0 334.441 2.539 20 30 EFEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000850913872 1250684908 /nfs/dbraw/zinc/68/49/08/1250684908.db2.gz BEVISEZRQZCTRN-CABCVRRESA-N -1 0 333.494 2.856 20 30 EFEDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC(C)(C)C1 ZINC000850960506 1250712742 /nfs/dbraw/zinc/71/27/42/1250712742.db2.gz IIRSHODHHHFQLC-UHFFFAOYSA-N -1 0 340.489 2.979 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000850999581 1250735020 /nfs/dbraw/zinc/73/50/20/1250735020.db2.gz GSAULIJHKKKJOS-HNNXBMFYSA-N -1 0 341.860 2.939 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000851032371 1250761394 /nfs/dbraw/zinc/76/13/94/1250761394.db2.gz QBQDMRFNATZBEB-JKSUJKDBSA-N -1 0 333.453 2.962 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)C ZINC000851191800 1250859051 /nfs/dbraw/zinc/85/90/51/1250859051.db2.gz OLRGVJKRFZRWQX-CQSZACIVSA-N -1 0 340.420 2.716 20 30 EFEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130712296 1256147008 /nfs/dbraw/zinc/14/70/08/1256147008.db2.gz JOLFUEPMHDMFFX-ZDUSSCGKSA-N -1 0 327.409 2.966 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCC1 ZINC000921551398 1257250008 /nfs/dbraw/zinc/25/00/08/1257250008.db2.gz RGPOOQKGFUEHEG-CYBMUJFWSA-N -1 0 346.337 2.668 20 30 EFEDRM N#CCn1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cc2ccccc21 ZINC000729891824 1264090415 /nfs/dbraw/zinc/09/04/15/1264090415.db2.gz NNBUBWIXTMPRLF-HNNXBMFYSA-N -1 0 334.379 2.546 20 30 EFEDRM C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000729886344 1264098655 /nfs/dbraw/zinc/09/86/55/1264098655.db2.gz CWEWESDXDVXZRE-UHFFFAOYSA-N -1 0 337.441 2.742 20 30 EFEDRM N#CCn1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc2ccccc21 ZINC000729890252 1264101235 /nfs/dbraw/zinc/10/12/35/1264101235.db2.gz XCYBQSDQVXGVHM-MRXNPFEDSA-N -1 0 348.406 2.936 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000255240529 1264199541 /nfs/dbraw/zinc/19/95/41/1264199541.db2.gz QIOUQKLILKGAKP-YFHOEESVSA-N -1 0 332.319 2.553 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNc2ccnc3ccccc32)c1 ZINC000730147452 1264214705 /nfs/dbraw/zinc/21/47/05/1264214705.db2.gz OJKBTFUYXJXXLA-UHFFFAOYSA-N -1 0 335.363 2.956 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000730945956 1264490643 /nfs/dbraw/zinc/49/06/43/1264490643.db2.gz AUWYVOCVRIWKOF-UHFFFAOYSA-N -1 0 327.266 2.620 20 30 EFEDRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000132331456 1264651459 /nfs/dbraw/zinc/65/14/59/1264651459.db2.gz CYSBROTXBYUGEQ-UHFFFAOYSA-N -1 0 328.821 2.843 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000133383825 1264677848 /nfs/dbraw/zinc/67/78/48/1264677848.db2.gz BNEKKDLPKWMOMS-VIFPVBQESA-N -1 0 338.207 2.793 20 30 EFEDRM COc1ccc(Br)c(S(=O)(=O)[N-]C(=O)C(C)C)c1 ZINC000086067465 1264833716 /nfs/dbraw/zinc/83/37/16/1264833716.db2.gz ZFTSUTPEVAELFD-UHFFFAOYSA-N -1 0 336.207 2.759 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000733205421 1265112298 /nfs/dbraw/zinc/11/22/98/1265112298.db2.gz VCEHYWGRMQUYJB-RUDMXATFSA-N -1 0 327.292 2.954 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNc2cnnc3ccccc32)c1 ZINC000733749911 1265401555 /nfs/dbraw/zinc/40/15/55/1265401555.db2.gz FLTPYCAAPZNMNT-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM N#CC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000824720560 1278263060 /nfs/dbraw/zinc/26/30/60/1278263060.db2.gz RHUILAKWYASERI-UHFFFAOYSA-N -1 0 330.775 2.607 20 30 EFEDRM COC(=O)c1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000734094007 1266857081 /nfs/dbraw/zinc/85/70/81/1266857081.db2.gz CURQAJYBUQBLFJ-SOFYXZRVSA-N -1 0 338.703 2.953 20 30 EFEDRM CC(=O)N(c1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1)C1CC1 ZINC000734296607 1266939364 /nfs/dbraw/zinc/93/93/64/1266939364.db2.gz RXUVUSUADNFNEW-UHFFFAOYSA-N -1 0 344.396 2.803 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3c(F)cccc3F)o2)c1=O ZINC000734362565 1266954543 /nfs/dbraw/zinc/95/45/43/1266954543.db2.gz RFRHVULLKJBRCZ-UHFFFAOYSA-N -1 0 348.334 2.656 20 30 EFEDRM COc1ccc(C=NN[C@@H](C)c2ccccc2)c(OCC(=O)[O-])c1 ZINC000734365695 1266956173 /nfs/dbraw/zinc/95/61/73/1266956173.db2.gz QAAWTOGMEHTBCM-ZDUSSCGKSA-N -1 0 328.368 2.843 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000734504532 1266997781 /nfs/dbraw/zinc/99/77/81/1266997781.db2.gz RJAVKUACSBMRON-AWEZNQCLSA-N -1 0 347.396 2.894 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000735267652 1267248836 /nfs/dbraw/zinc/24/88/36/1267248836.db2.gz VRVPEQTVCYTAGL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1ccsc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000735406568 1267310802 /nfs/dbraw/zinc/31/08/02/1267310802.db2.gz GTJYKDMYWBFAAG-UHFFFAOYSA-N -1 0 344.421 2.587 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000735460449 1267329147 /nfs/dbraw/zinc/32/91/47/1267329147.db2.gz WMMYBSRWBAZJHC-XFFZJAGNSA-N -1 0 336.804 2.863 20 30 EFEDRM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000791779529 1278326717 /nfs/dbraw/zinc/32/67/17/1278326717.db2.gz RYUPWXYJNMTWEG-MRXNPFEDSA-N -1 0 342.395 2.618 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@@H]3Cc4ccccc4C(=O)O3)nc21 ZINC000735790401 1267424918 /nfs/dbraw/zinc/42/49/18/1267424918.db2.gz XGBPIYSZEFDGMU-ZBFHGGJFSA-N -1 0 345.358 2.829 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@H]3Cc4ccccc4C(=O)O3)nc21 ZINC000735790399 1267425192 /nfs/dbraw/zinc/42/51/92/1267425192.db2.gz XGBPIYSZEFDGMU-GOEBONIOSA-N -1 0 345.358 2.829 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000791751703 1278332936 /nfs/dbraw/zinc/33/29/36/1278332936.db2.gz WRQHTUYWYVRNCG-HNNXBMFYSA-N -1 0 344.436 2.743 20 30 EFEDRM C#C[C@H](CCC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000791751706 1278333027 /nfs/dbraw/zinc/33/30/27/1278333027.db2.gz WRQHTUYWYVRNCG-OAHLLOKOSA-N -1 0 344.436 2.743 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000073837531 1267488138 /nfs/dbraw/zinc/48/81/38/1267488138.db2.gz PHGXNAOMHJUXKT-UHFFFAOYSA-N -1 0 330.381 2.607 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000073838804 1267537315 /nfs/dbraw/zinc/53/73/15/1267537315.db2.gz WRRWPERONKMBII-LBPRGKRZSA-N -1 0 343.420 2.959 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073839194 1267538575 /nfs/dbraw/zinc/53/85/75/1267538575.db2.gz MUNNROGMRJNLPL-GUBZILKMSA-N -1 0 331.356 2.676 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000073837644 1267553416 /nfs/dbraw/zinc/55/34/16/1267553416.db2.gz KQIMKASZXDAJRH-NSHDSACASA-N -1 0 332.466 2.546 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C3CCC3)cc2)c1 ZINC000791767461 1278343365 /nfs/dbraw/zinc/34/33/65/1278343365.db2.gz SUNLLPOOOZXTTQ-UHFFFAOYSA-N -1 0 340.404 2.944 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccc2)c2ccccc12 ZINC000133329994 1268521837 /nfs/dbraw/zinc/52/18/37/1268521837.db2.gz BRIWUFLHWOKJAQ-INIZCTEOSA-N -1 0 331.375 2.758 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@@H]3C)cc2[n-]c1=S ZINC000740928922 1269171807 /nfs/dbraw/zinc/17/18/07/1269171807.db2.gz UNHMODFJJPCIJU-RYUDHWBXSA-N -1 0 343.452 2.742 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000741110901 1269309451 /nfs/dbraw/zinc/30/94/51/1269309451.db2.gz CATJFRYECKAYLE-CQSZACIVSA-N -1 0 326.377 2.590 20 30 EFEDRM Cc1ccc(N2CC[C@H](/N=C\c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000741465280 1269540564 /nfs/dbraw/zinc/54/05/64/1269540564.db2.gz TYPGXJBXSBEFSR-YLRSXTQRSA-N -1 0 339.351 2.833 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000741659400 1269637873 /nfs/dbraw/zinc/63/78/73/1269637873.db2.gz GPKIMFOEZZWQKG-UHFFFAOYSA-N -1 0 347.367 2.669 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C)OCC ZINC000792061041 1278523519 /nfs/dbraw/zinc/52/35/19/1278523519.db2.gz VZTDDRINXVZVKM-INIZCTEOSA-N -1 0 339.457 2.621 20 30 EFEDRM Cc1cccc2oc(CC/N=C\c3c(CO)cnc(C)c3O)nc21 ZINC000743045750 1270380175 /nfs/dbraw/zinc/38/01/75/1270380175.db2.gz WTFVFVPOXKNLCS-OCKHKDLRSA-N -1 0 325.368 2.699 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000744013657 1270840870 /nfs/dbraw/zinc/84/08/70/1270840870.db2.gz FKYZDCDVNQCCJW-NSHDSACASA-N -1 0 348.811 2.820 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000744030960 1270848569 /nfs/dbraw/zinc/84/85/69/1270848569.db2.gz PDSFDQZVPZYYTR-HNNXBMFYSA-N -1 0 341.411 2.604 20 30 EFEDRM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000744622612 1271117460 /nfs/dbraw/zinc/11/74/60/1271117460.db2.gz FNSDRQUTSZYVBL-UHFFFAOYSA-N -1 0 343.404 2.894 20 30 EFEDRM CCc1ccc(CC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000745117896 1271320350 /nfs/dbraw/zinc/32/03/50/1271320350.db2.gz YEACUGWSJOUTKY-HNNXBMFYSA-N -1 0 342.420 2.976 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000745376971 1271463248 /nfs/dbraw/zinc/46/32/48/1271463248.db2.gz JWBWQAGDEAOPLN-KGLIPLIRSA-N -1 0 326.377 2.511 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@H]2CC[C@@H](C)O2)n1 ZINC000745714883 1271576437 /nfs/dbraw/zinc/57/64/37/1271576437.db2.gz QGTGVOIGGBKEQM-JHJVBQTASA-N -1 0 336.413 2.519 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccncc2Cl)n1 ZINC000745772546 1271628080 /nfs/dbraw/zinc/62/80/80/1271628080.db2.gz RQCFGAGLNUUWIB-JTQLQIEISA-N -1 0 335.772 2.533 20 30 EFEDRM CC(C)NC(=O)NC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCC1 ZINC000792275452 1278707845 /nfs/dbraw/zinc/70/78/45/1278707845.db2.gz ICPUDZQABGGJLV-UHFFFAOYSA-N -1 0 344.415 2.613 20 30 EFEDRM C#CC1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])CC1 ZINC000844045591 1278731468 /nfs/dbraw/zinc/73/14/68/1278731468.db2.gz MKBUPAZLYZRBSN-UHFFFAOYSA-N -1 0 327.359 2.511 20 30 EFEDRM CCCCc1ncc(CN(C)CC#N)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143752095 1278735658 /nfs/dbraw/zinc/73/56/58/1278735658.db2.gz FSCIEMHYADGVEK-UHFFFAOYSA-N -1 0 340.427 2.928 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1Cl ZINC000103330299 1273102667 /nfs/dbraw/zinc/10/26/67/1273102667.db2.gz SULQSKNLTKMWOU-SECBINFHSA-N -1 0 335.772 2.766 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2c(C(F)F)nc3n2CCCC3)c1 ZINC000867012984 1273273945 /nfs/dbraw/zinc/27/39/45/1273273945.db2.gz LNWKEEDXTPTMHS-UHFFFAOYSA-N -1 0 332.310 2.987 20 30 EFEDRM CC(C)c1nn(-c2ccccc2)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001143814466 1278792014 /nfs/dbraw/zinc/79/20/14/1278792014.db2.gz FAHINKDRQKWUTR-UHFFFAOYSA-N -1 0 345.366 2.714 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000746498016 1274304092 /nfs/dbraw/zinc/30/40/92/1274304092.db2.gz PZBXMRDJTHNUTN-UHFFFAOYSA-N -1 0 329.316 2.904 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)c2cccnc2)n1 ZINC000781258919 1274560787 /nfs/dbraw/zinc/56/07/87/1274560787.db2.gz ZUFBKLVRSZOAIL-CYBMUJFWSA-N -1 0 343.408 2.544 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H]1C ZINC000792564480 1278908882 /nfs/dbraw/zinc/90/88/82/1278908882.db2.gz WOZQCAXNDBOCJJ-ZIAGYGMSSA-N -1 0 334.482 2.509 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@@H]1C ZINC000792564474 1278909508 /nfs/dbraw/zinc/90/95/08/1278909508.db2.gz WOZQCAXNDBOCJJ-KBPBESRZSA-N -1 0 334.482 2.509 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786469593 1275402501 /nfs/dbraw/zinc/40/25/01/1275402501.db2.gz BQBDSLWCWJSLPR-BBBLOLIVSA-N -1 0 333.800 2.830 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2csc(Cl)c2)CCCC1 ZINC000786459299 1275413018 /nfs/dbraw/zinc/41/30/18/1275413018.db2.gz JEBANVRPTNMSLO-UHFFFAOYSA-N -1 0 332.834 2.545 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(C#N)s1 ZINC000786534187 1275422362 /nfs/dbraw/zinc/42/23/62/1275422362.db2.gz JDMFCVMEMIUZLO-ZDUSSCGKSA-N -1 0 343.795 2.912 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000786534740 1275422530 /nfs/dbraw/zinc/42/25/30/1275422530.db2.gz LSAIYRASXLWWPC-OAHLLOKOSA-N -1 0 344.802 2.585 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)COC3)c1 ZINC000786538721 1275424908 /nfs/dbraw/zinc/42/49/08/1275424908.db2.gz GXBJSOWSUKVBJD-SFHVURJKSA-N -1 0 334.375 2.664 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1C ZINC000786542698 1275437036 /nfs/dbraw/zinc/43/70/36/1275437036.db2.gz PJMQVWNSROCZNS-QGZVFWFLSA-N -1 0 336.391 2.951 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)c1 ZINC000786549844 1275439447 /nfs/dbraw/zinc/43/94/47/1275439447.db2.gz LQLBKDLZKISTEE-INIZCTEOSA-N -1 0 338.411 2.585 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(Cl)o1 ZINC000786557239 1275441394 /nfs/dbraw/zinc/44/13/94/1275441394.db2.gz LEYBDZKNASQYNY-SNVBAGLBSA-N -1 0 338.697 2.850 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786553969 1275441577 /nfs/dbraw/zinc/44/15/77/1275441577.db2.gz JTBLJXRRMBYRET-HNNXBMFYSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558480 1275442841 /nfs/dbraw/zinc/44/28/41/1275442841.db2.gz DCBBFBMFOFIKMV-GFCCVEGCSA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)n1C ZINC000786563400 1275444976 /nfs/dbraw/zinc/44/49/76/1275444976.db2.gz UTTJESXDEYIKJD-OAHLLOKOSA-N -1 0 345.349 2.559 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cc(C#N)cs1 ZINC000786569183 1275445642 /nfs/dbraw/zinc/44/56/42/1275445642.db2.gz JXNJOKDAZIHBJJ-NSHDSACASA-N -1 0 345.330 2.537 20 30 EFEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568842 1275446081 /nfs/dbraw/zinc/44/60/81/1275446081.db2.gz ANJUAVCAFZBMMK-NSHDSACASA-N -1 0 334.347 2.974 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(Cl)o1 ZINC000786571442 1275447097 /nfs/dbraw/zinc/44/70/97/1275447097.db2.gz XLXUGOUOCPGGHW-SECBINFHSA-N -1 0 338.697 2.850 20 30 EFEDRM CCc1ncsc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000750202113 1275723860 /nfs/dbraw/zinc/72/38/60/1275723860.db2.gz LIQOSMMAHWUDNN-SECBINFHSA-N -1 0 335.410 2.504 20 30 EFEDRM C[C@@H](Oc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000746677452 1275751470 /nfs/dbraw/zinc/75/14/70/1275751470.db2.gz XGMNUOWYRZHKPL-LLVKDONJSA-N -1 0 329.312 2.893 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1 ZINC000746678224 1275759223 /nfs/dbraw/zinc/75/92/23/1275759223.db2.gz AMEFASUCLOTLCC-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM C[C@@H](Oc1cccc(C=NN2C(=S)N=NC2C(C)(C)C)c1)C(=O)[O-] ZINC000746678311 1275764574 /nfs/dbraw/zinc/76/45/74/1275764574.db2.gz COKMLQYDVCCFAT-SNVBAGLBSA-N -1 0 348.428 2.598 20 30 EFEDRM Cn1c2ccccc2nc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746679478 1275765990 /nfs/dbraw/zinc/76/59/90/1275765990.db2.gz HSALEVKUVDXYHJ-UHFFFAOYSA-N -1 0 338.367 2.873 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000787681213 1275854125 /nfs/dbraw/zinc/85/41/25/1275854125.db2.gz NXKOCOZHVQMJOW-CYBMUJFWSA-N -1 0 343.452 2.886 20 30 EFEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1Cl ZINC000788081855 1276032705 /nfs/dbraw/zinc/03/27/05/1276032705.db2.gz VXEIEKBKPFKMAI-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cncn2Cc2ccccc2)c1 ZINC000788304333 1276121824 /nfs/dbraw/zinc/12/18/24/1276121824.db2.gz GTHBTBCXTJTMGX-UHFFFAOYSA-N -1 0 332.363 2.690 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCC1CCC2(CC1)OCCO2 ZINC000788721692 1276277324 /nfs/dbraw/zinc/27/73/24/1276277324.db2.gz HMTQDWGFOMKYOV-UHFFFAOYSA-N -1 0 334.372 2.724 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccc2c(cc[nH]c2=O)c1 ZINC000789073640 1276477732 /nfs/dbraw/zinc/47/77/32/1276477732.db2.gz OTIXQIPLHAWNET-UHFFFAOYSA-N -1 0 347.334 2.549 20 30 EFEDRM Cc1cc(C(=O)/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)n(C)n1 ZINC000789155911 1276535200 /nfs/dbraw/zinc/53/52/00/1276535200.db2.gz GQGGEHSRRGQCLX-YVMONPNESA-N -1 0 336.294 2.681 20 30 EFEDRM O=C([N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(F)(F)C(F)F ZINC000923044603 1276642465 /nfs/dbraw/zinc/64/24/65/1276642465.db2.gz NNEXEHZBBVDBEY-DTWKUNHWSA-N -1 0 347.230 2.538 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2(C)C ZINC000789403789 1276717773 /nfs/dbraw/zinc/71/77/73/1276717773.db2.gz RXGBBBMMXHLKTN-AWEZNQCLSA-N -1 0 328.412 2.985 20 30 EFEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000789409535 1276722741 /nfs/dbraw/zinc/72/27/41/1276722741.db2.gz VQHVKHFZGCFTNU-CQSZACIVSA-N -1 0 326.396 2.738 20 30 EFEDRM CN(C(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923081343 1276748572 /nfs/dbraw/zinc/74/85/72/1276748572.db2.gz MOEGESJCDWXHSW-SFHVURJKSA-N -1 0 328.368 2.587 20 30 EFEDRM Cc1nc(C2CCN(C(=O)C3(C#N)CCC3)CC2)sc1C(=O)[O-] ZINC000923103536 1276784907 /nfs/dbraw/zinc/78/49/07/1276784907.db2.gz PTHVMDNZKXXDCH-UHFFFAOYSA-N -1 0 333.413 2.550 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000819970893 1276955236 /nfs/dbraw/zinc/95/52/36/1276955236.db2.gz WKCJCNBXRCXXAE-UHFFFAOYSA-N -1 0 336.388 2.781 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2c(F)c(F)ccc2Cl)c1 ZINC000790069694 1277204552 /nfs/dbraw/zinc/20/45/52/1277204552.db2.gz YEPOLLWWCFSDPX-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM CCN(C)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2OC)cn1 ZINC000790170578 1277315939 /nfs/dbraw/zinc/31/59/39/1277315939.db2.gz BTBSUJNVXDZQLH-UHFFFAOYSA-N -1 0 328.372 2.691 20 30 EFEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C#N ZINC000820800867 1277332034 /nfs/dbraw/zinc/33/20/34/1277332034.db2.gz KHDDUWOLVASIKN-UHFFFAOYSA-N -1 0 346.437 2.985 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3nonc32)c(Cl)c1 ZINC000820800948 1277332812 /nfs/dbraw/zinc/33/28/12/1277332812.db2.gz OBUPERVOVKMSIO-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]c1nc2ccccn2n1 ZINC000790200607 1277344061 /nfs/dbraw/zinc/34/40/61/1277344061.db2.gz XVUVXVUETIPOHZ-UHFFFAOYSA-N -1 0 347.165 2.804 20 30 EFEDRM Cc1nn(C)c(/C=C\C(=O)c2ccc(O)cc2[O-])c1Br ZINC000790600001 1277670948 /nfs/dbraw/zinc/67/09/48/1277670948.db2.gz HAYHIOGZECFUNT-WAYWQWQTSA-N -1 0 337.173 2.798 20 30 EFEDRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790868606 1277814799 /nfs/dbraw/zinc/81/47/99/1277814799.db2.gz JFNGCABPGVSBEY-VIFPVBQESA-N -1 0 348.346 2.818 20 30 EFEDRM Cc1c(N=NCC2CN(C(=O)OC(C)(C)C)C2)cccc1C(=O)[O-] ZINC000844622639 1279128586 /nfs/dbraw/zinc/12/85/86/1279128586.db2.gz APMBOJPPTQGAMA-UHFFFAOYSA-N -1 0 333.388 2.958 20 30 EFEDRM CC[C@@H](NN=C1CCc2cc(Br)cc(C)c21)C(=O)[O-] ZINC000793055671 1279345253 /nfs/dbraw/zinc/34/52/53/1279345253.db2.gz NYXFRBRLAAVLAN-LLVKDONJSA-N -1 0 325.206 2.861 20 30 EFEDRM CC[C@@H](NN=C(C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000793070850 1279355188 /nfs/dbraw/zinc/35/51/88/1279355188.db2.gz AIJOXHRNICJQKD-MRXNPFEDSA-N -1 0 328.416 2.974 20 30 EFEDRM CC[C@@H](NN=C1CCCN(C(=O)OC(C)(C)C)CCC1)C(=O)[O-] ZINC000793071287 1279355803 /nfs/dbraw/zinc/35/58/03/1279355803.db2.gz HIWGWRHLYCXYKM-CYBMUJFWSA-N -1 0 327.425 2.606 20 30 EFEDRM CC[C@H](NN=Cc1ccc(Br)cc1SC)C(=O)[O-] ZINC000793081502 1279361949 /nfs/dbraw/zinc/36/19/49/1279361949.db2.gz LXRHIIXXXDSNHX-JTQLQIEISA-N -1 0 331.235 2.958 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793121875 1279371019 /nfs/dbraw/zinc/37/10/19/1279371019.db2.gz CIRKDNRHAZZEPO-QGZVFWFLSA-N -1 0 326.396 2.511 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccc2ccccc2c1 ZINC000793201789 1279414213 /nfs/dbraw/zinc/41/42/13/1279414213.db2.gz RKEBMZJULQMVAH-CYBMUJFWSA-N -1 0 342.420 2.693 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000793178221 1279425230 /nfs/dbraw/zinc/42/52/30/1279425230.db2.gz LNBKLODNXAZQFE-GFCCVEGCSA-N -1 0 349.374 2.906 20 30 EFEDRM CC(C)(C)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793195178 1279439259 /nfs/dbraw/zinc/43/92/59/1279439259.db2.gz HVGCMZCEFZUYID-TWGQIWQCSA-N -1 0 346.452 2.747 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccn1 ZINC000793281595 1279528115 /nfs/dbraw/zinc/52/81/15/1279528115.db2.gz UCTQCSMSGRQDSQ-HNNXBMFYSA-N -1 0 327.771 2.682 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793407977 1279600435 /nfs/dbraw/zinc/60/04/35/1279600435.db2.gz JAKUSTSYTHOESX-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845451047 1279639209 /nfs/dbraw/zinc/63/92/09/1279639209.db2.gz KVBXOVKPWKJDNY-OAHLLOKOSA-N -1 0 334.379 2.525 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc[nH]c2C(C)C)cc1 ZINC000845451933 1279666723 /nfs/dbraw/zinc/66/67/23/1279666723.db2.gz QJOOIOQQHRHIJX-MRXNPFEDSA-N -1 0 339.395 2.786 20 30 EFEDRM Cn1c(=O)c(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc2ccccc21 ZINC000793654364 1279779955 /nfs/dbraw/zinc/77/99/55/1279779955.db2.gz KEAJLHJSMXAJAK-VXLYETTFSA-N -1 0 337.335 2.771 20 30 EFEDRM O=C([N-]S(=O)(=O)CCCF)c1ccc(C#Cc2ccccc2)cc1 ZINC000747137688 1279796445 /nfs/dbraw/zinc/79/64/45/1279796445.db2.gz MTEGHNQAEHKUKE-UHFFFAOYSA-N -1 0 345.395 2.506 20 30 EFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1 ZINC000871967113 1287379146 /nfs/dbraw/zinc/37/91/46/1287379146.db2.gz AZGIQYQGCOELLD-UHFFFAOYSA-N -1 0 346.408 2.708 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1)OCC ZINC000845894108 1279918023 /nfs/dbraw/zinc/91/80/23/1279918023.db2.gz YGXBEVIPMFLXTP-AWEZNQCLSA-N -1 0 345.848 2.657 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000871982721 1287385319 /nfs/dbraw/zinc/38/53/19/1287385319.db2.gz ZLVGCGUFZVTHBR-UHFFFAOYSA-N -1 0 343.470 2.535 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)C1 ZINC000871982158 1287385558 /nfs/dbraw/zinc/38/55/58/1287385558.db2.gz CVTZFXUCGOIXNR-LLVKDONJSA-N -1 0 329.443 2.732 20 30 EFEDRM C=CCOCc1ncn2c1CN(Cc1sccc1C(=O)[O-])CCC2 ZINC001144670734 1279979006 /nfs/dbraw/zinc/97/90/06/1279979006.db2.gz ONPYJXBFVPQFGW-UHFFFAOYSA-N -1 0 347.440 2.751 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)c1 ZINC000794075043 1280020091 /nfs/dbraw/zinc/02/00/91/1280020091.db2.gz RVMKZMHUPJZDSF-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000846149214 1280037358 /nfs/dbraw/zinc/03/73/58/1280037358.db2.gz HRNNLKYIZLNNBM-UHFFFAOYSA-N -1 0 345.399 2.979 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000846151049 1280038412 /nfs/dbraw/zinc/03/84/12/1280038412.db2.gz UFAJSMKWSLVIGQ-UHFFFAOYSA-N -1 0 326.780 2.691 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1COC(C)(C)CC ZINC000846153872 1280039363 /nfs/dbraw/zinc/03/93/63/1280039363.db2.gz MEIPNDALEVIPSH-ZDUSSCGKSA-N -1 0 334.416 2.953 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000846153401 1280039547 /nfs/dbraw/zinc/03/95/47/1280039547.db2.gz YFBRIJLWDAYMBY-CQSZACIVSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000846155092 1280039743 /nfs/dbraw/zinc/03/97/43/1280039743.db2.gz UDGWWAJUCVFCET-MRVPVSSYSA-N -1 0 347.198 2.953 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000846154351 1280039826 /nfs/dbraw/zinc/03/98/26/1280039826.db2.gz KYOXYPLSJULTPN-SNVBAGLBSA-N -1 0 326.780 2.690 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000846155505 1280040915 /nfs/dbraw/zinc/04/09/15/1280040915.db2.gz XRTXXAMGYYNKEF-GHMZBOCLSA-N -1 0 337.445 2.609 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000846145408 1280051589 /nfs/dbraw/zinc/05/15/89/1280051589.db2.gz BVIWVAUQLVWZET-UHFFFAOYSA-N -1 0 336.363 2.710 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000846147856 1280052948 /nfs/dbraw/zinc/05/29/48/1280052948.db2.gz VLHWLSOTMBEWKK-UHFFFAOYSA-N -1 0 335.385 2.582 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F)C1CCCC1 ZINC000872007247 1287395356 /nfs/dbraw/zinc/39/53/56/1287395356.db2.gz MIHXTGLNDRRPSK-OAHLLOKOSA-N -1 0 344.383 2.783 20 30 EFEDRM C=CCO[N-]C(=O)CN(C(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC000846250003 1280086940 /nfs/dbraw/zinc/08/69/40/1280086940.db2.gz UCYQCEWMZWVBKK-UHFFFAOYSA-N -1 0 336.388 2.671 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nncn1-c1ccccc1CC ZINC000846544473 1280236958 /nfs/dbraw/zinc/23/69/58/1280236958.db2.gz RBAXASUCVPKTAR-LBPRGKRZSA-N -1 0 332.429 2.544 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846542701 1280237085 /nfs/dbraw/zinc/23/70/85/1280237085.db2.gz GJRMJRGJILFUEZ-GXFFZTMASA-N -1 0 335.795 2.567 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000846543575 1280239273 /nfs/dbraw/zinc/23/92/73/1280239273.db2.gz LLUWIKMROUGYGY-RDJZCZTQSA-N -1 0 347.459 2.831 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000846543576 1280239372 /nfs/dbraw/zinc/23/93/72/1280239372.db2.gz LLUWIKMROUGYGY-WBVHZDCISA-N -1 0 347.459 2.831 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846547106 1280239808 /nfs/dbraw/zinc/23/98/08/1280239808.db2.gz ILTAHYNSVRHTBY-GXFFZTMASA-N -1 0 332.429 2.591 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000846548070 1280241823 /nfs/dbraw/zinc/24/18/23/1280241823.db2.gz CXZWSCADEQJHBP-VFZGTOFNSA-N -1 0 338.816 2.891 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000846548688 1280242868 /nfs/dbraw/zinc/24/28/68/1280242868.db2.gz GLFUTOXDTPVEPH-CZUORRHYSA-N -1 0 346.427 2.971 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000846549983 1280244372 /nfs/dbraw/zinc/24/43/72/1280244372.db2.gz MVDNLCJGPLLBSQ-DTWKUNHWSA-N -1 0 332.169 2.978 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000846552735 1280246581 /nfs/dbraw/zinc/24/65/81/1280246581.db2.gz OPDBFFQKAOTUJP-SNVBAGLBSA-N -1 0 338.201 2.672 20 30 EFEDRM C=C(C)CO[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000846533149 1280249204 /nfs/dbraw/zinc/24/92/04/1280249204.db2.gz AJNNOJDWKDAMNQ-UHFFFAOYSA-N -1 0 337.441 2.787 20 30 EFEDRM C=C(C)CO[N-]C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C ZINC000846536564 1280251352 /nfs/dbraw/zinc/25/13/52/1280251352.db2.gz QILWETOZERFXAL-UHFFFAOYSA-N -1 0 348.428 2.830 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000846536729 1280251388 /nfs/dbraw/zinc/25/13/88/1280251388.db2.gz YAKSKWXRZQWLLQ-XHDPSFHLSA-N -1 0 340.782 2.622 20 30 EFEDRM C=C(C)CO[N-]C(=O)CSc1nncn1-c1ccccc1CC ZINC000846536959 1280252388 /nfs/dbraw/zinc/25/23/88/1280252388.db2.gz CUMOIDJIXQWJMI-UHFFFAOYSA-N -1 0 332.429 2.546 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000846538499 1280253177 /nfs/dbraw/zinc/25/31/77/1280253177.db2.gz IOMNFKLWOWOUET-MRXNPFEDSA-N -1 0 346.427 2.972 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000805058129 1280435274 /nfs/dbraw/zinc/43/52/74/1280435274.db2.gz MDECHCXWLJGDOS-GFCCVEGCSA-N -1 0 341.301 2.901 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747259785 1280693798 /nfs/dbraw/zinc/69/37/98/1280693798.db2.gz XYKNHDIXXUBQPQ-GFCCVEGCSA-N -1 0 336.376 2.749 20 30 EFEDRM Cc1nc2c(cccc2C([O-])=C(C#N)C(=O)NCc2ccccc2)o1 ZINC000805853471 1280812866 /nfs/dbraw/zinc/81/28/66/1280812866.db2.gz KBCDKCCJAXQHFH-HNNXBMFYSA-N -1 0 333.347 2.775 20 30 EFEDRM C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805877199 1280842158 /nfs/dbraw/zinc/84/21/58/1280842158.db2.gz WIAMPZVYGAITSI-CQSZACIVSA-N -1 0 349.456 2.663 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1 ZINC000805907976 1280867019 /nfs/dbraw/zinc/86/70/19/1280867019.db2.gz CSOCGXWITGHOIB-UHFFFAOYSA-N -1 0 338.429 2.753 20 30 EFEDRM CC1(S(=O)(=O)[N-]C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000806026513 1280947332 /nfs/dbraw/zinc/94/73/32/1280947332.db2.gz VWLSUTUKJGYNCV-UHFFFAOYSA-N -1 0 345.424 2.557 20 30 EFEDRM COC(=O)c1coc(/C=C2/C[C@@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806563243 1281096309 /nfs/dbraw/zinc/09/63/09/1281096309.db2.gz UELRSYITXDLKHO-IZIDJEDMSA-N -1 0 326.304 2.904 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000806566411 1281096989 /nfs/dbraw/zinc/09/69/89/1281096989.db2.gz FIDXICYHFSEQKN-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cc(F)ncc2F)cc1CC(=O)[O-] ZINC000806566892 1281097143 /nfs/dbraw/zinc/09/71/43/1281097143.db2.gz CEFBBBBFMSUAAO-DUXPYHPUSA-N -1 0 333.290 2.892 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000806566192 1281097457 /nfs/dbraw/zinc/09/74/57/1281097457.db2.gz XEWZAKZODQIOMI-UHFFFAOYSA-N -1 0 349.383 2.824 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1ccccc1 ZINC000806566020 1281097535 /nfs/dbraw/zinc/09/75/35/1281097535.db2.gz UZMYSLGLJUUQHT-UHFFFAOYSA-N -1 0 349.383 2.824 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)c1 ZINC000806575637 1281101094 /nfs/dbraw/zinc/10/10/94/1281101094.db2.gz ISHQRGUBWFQOCI-FPLPWBNLSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000806575906 1281101532 /nfs/dbraw/zinc/10/15/32/1281101532.db2.gz PIWNICYXGAXUOD-QPJJXVBHSA-N -1 0 336.307 2.777 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887422 1281322998 /nfs/dbraw/zinc/32/29/98/1281322998.db2.gz LUKCIYZHTUQECC-UHFFFAOYSA-N -1 0 336.326 2.737 20 30 EFEDRM N#Cc1c(NC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]c1C1CC1 ZINC000807701261 1281394046 /nfs/dbraw/zinc/39/40/46/1281394046.db2.gz BYWDPEHBIILTIF-UHFFFAOYSA-N -1 0 325.353 2.841 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1 ZINC000808072471 1281514790 /nfs/dbraw/zinc/51/47/90/1281514790.db2.gz HYEPMOHQFXRDPG-UHFFFAOYSA-N -1 0 342.420 2.561 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000808113572 1281539680 /nfs/dbraw/zinc/53/96/80/1281539680.db2.gz CXHWVGIKOQPGHI-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808109680 1281540199 /nfs/dbraw/zinc/54/01/99/1281540199.db2.gz AIITZJLRRXGPHQ-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000805305177 1281591066 /nfs/dbraw/zinc/59/10/66/1281591066.db2.gz DQYWEEHSZSHSIX-CHWSQXEVSA-N -1 0 343.210 2.679 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(C)c2)cc1 ZINC000103640068 1281618732 /nfs/dbraw/zinc/61/87/32/1281618732.db2.gz RQYISWLOBGAEFH-MRXNPFEDSA-N -1 0 340.354 2.782 20 30 EFEDRM C=C[C@@H]1C[C@@]1(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)OCC ZINC001148814808 1281772884 /nfs/dbraw/zinc/77/28/84/1281772884.db2.gz XXBBWYDIKZDHCG-GLEZIHRCSA-N -1 0 344.194 2.937 20 30 EFEDRM COc1cccc2c(C(=O)OCc3cc(F)ccc3C#N)n[nH]c21 ZINC000808675087 1281859387 /nfs/dbraw/zinc/85/93/87/1281859387.db2.gz VZJKFXBKGGSLAT-UHFFFAOYSA-N -1 0 325.299 2.939 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808980215 1281981385 /nfs/dbraw/zinc/98/13/85/1281981385.db2.gz WOLUEQUCIIJJJI-CQSZACIVSA-N -1 0 347.296 2.739 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1 ZINC000808980068 1281981768 /nfs/dbraw/zinc/98/17/68/1281981768.db2.gz SHGYQAQOANBACG-LLVKDONJSA-N -1 0 325.324 2.522 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809158564 1282068534 /nfs/dbraw/zinc/06/85/34/1282068534.db2.gz UGJDYXMVRBOBQY-WAPJZHGLSA-N -1 0 326.304 2.773 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c(OC)cc1O ZINC000809158317 1282070854 /nfs/dbraw/zinc/07/08/54/1282070854.db2.gz SDHJIFSYLUVBQZ-HWKANZROSA-N -1 0 344.319 2.709 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c(C)n1 ZINC000872415726 1287570234 /nfs/dbraw/zinc/57/02/34/1287570234.db2.gz MANCKEZTLFDILT-UHFFFAOYSA-N -1 0 348.428 2.673 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cc(Br)ncn1 ZINC000872436361 1287582510 /nfs/dbraw/zinc/58/25/10/1287582510.db2.gz APENBXAWBZBNMZ-HTQZYQBOSA-N -1 0 327.182 2.528 20 30 EFEDRM COC(=O)c1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000810466742 1283239799 /nfs/dbraw/zinc/23/97/99/1283239799.db2.gz JZGXVBPQVPDHLL-UHFFFAOYSA-N -1 0 330.727 2.956 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000810467659 1283240214 /nfs/dbraw/zinc/24/02/14/1283240214.db2.gz XGZYPIMDBHPJNW-ZDUSSCGKSA-N -1 0 325.343 2.868 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000810514798 1283298410 /nfs/dbraw/zinc/29/84/10/1283298410.db2.gz LEGSIEYAQMBLRO-UHFFFAOYSA-N -1 0 334.224 2.848 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000810516875 1283299013 /nfs/dbraw/zinc/29/90/13/1283299013.db2.gz ATXNXTPTHGHMMA-UHFFFAOYSA-N -1 0 333.331 2.560 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000810602265 1283421233 /nfs/dbraw/zinc/42/12/33/1283421233.db2.gz IBUCXWADHRLDDR-UHFFFAOYSA-N -1 0 347.823 2.677 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000810634837 1283446297 /nfs/dbraw/zinc/44/62/97/1283446297.db2.gz OFNHCMZNUAXNAK-UHFFFAOYSA-N -1 0 347.358 2.868 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(CC)cc2)o1 ZINC000810781995 1283587577 /nfs/dbraw/zinc/58/75/77/1283587577.db2.gz FAZZCGBLCLWDPS-UHFFFAOYSA-N -1 0 331.393 2.592 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000810783813 1283587612 /nfs/dbraw/zinc/58/76/12/1283587612.db2.gz FUZPPQHVENZTGE-CYBMUJFWSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000810786454 1283587864 /nfs/dbraw/zinc/58/78/64/1283587864.db2.gz JPNSFKTZKSXKEJ-UHFFFAOYSA-N -1 0 339.844 2.621 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000810774441 1283633485 /nfs/dbraw/zinc/63/34/85/1283633485.db2.gz ZMVBCEIBDCATPV-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000810775924 1283634254 /nfs/dbraw/zinc/63/42/54/1283634254.db2.gz ZSPIEMAOEILXCV-UHFFFAOYSA-N -1 0 337.397 2.637 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCC)cc1Cl ZINC000810772968 1283634589 /nfs/dbraw/zinc/63/45/89/1283634589.db2.gz MERNMTGVJFMTRX-UHFFFAOYSA-N -1 0 343.832 2.602 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000810778470 1283636035 /nfs/dbraw/zinc/63/60/35/1283636035.db2.gz ZHPNWAOOZRWDFF-JTQLQIEISA-N -1 0 348.251 2.641 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000810778256 1283636813 /nfs/dbraw/zinc/63/68/13/1283636813.db2.gz ZKCALEIKQSQOGN-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1cccc(C)c1 ZINC000810780425 1283642270 /nfs/dbraw/zinc/64/22/70/1283642270.db2.gz CCHCJMWPPPYWSK-UHFFFAOYSA-N -1 0 343.404 2.870 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCCCCCC)cc1 ZINC000810779213 1283643863 /nfs/dbraw/zinc/64/38/63/1283643863.db2.gz CXWCMMARZLAABN-UHFFFAOYSA-N -1 0 337.441 2.729 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)n2)c([O-])cc1F ZINC001176015056 1287655704 /nfs/dbraw/zinc/65/57/04/1287655704.db2.gz BUCZZSAUNFXXPG-UHFFFAOYSA-N -1 0 339.248 2.998 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000810800534 1283656585 /nfs/dbraw/zinc/65/65/85/1283656585.db2.gz MTNRHJNYBBNUNP-UHFFFAOYSA-N -1 0 341.816 2.541 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810966217 1283863432 /nfs/dbraw/zinc/86/34/32/1283863432.db2.gz SOPNYNSGNJDSEK-UHFFFAOYSA-N -1 0 339.379 2.747 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000810981520 1283884731 /nfs/dbraw/zinc/88/47/31/1283884731.db2.gz RBKPCQOSPCNWKF-UHFFFAOYSA-N -1 0 332.381 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000810981611 1283884765 /nfs/dbraw/zinc/88/47/65/1283884765.db2.gz UEAFAEFXUFHOOY-APWZRJJASA-N -1 0 345.464 2.835 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](SC)c2ccccc2)CC1 ZINC000810980831 1283885030 /nfs/dbraw/zinc/88/50/30/1283885030.db2.gz HAQYRVTXSBWVBW-ZDUSSCGKSA-N -1 0 325.455 2.645 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(C(F)F)c2)CC1 ZINC000810983670 1283907320 /nfs/dbraw/zinc/90/73/20/1283907320.db2.gz WYBRDRNWVJDQRJ-UHFFFAOYSA-N -1 0 329.368 2.721 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000810982955 1283907855 /nfs/dbraw/zinc/90/78/55/1283907855.db2.gz ASOXEEHSGTVMRC-NSHDSACASA-N -1 0 343.832 2.662 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CSc2ccccc2)CC1 ZINC000810982074 1283908129 /nfs/dbraw/zinc/90/81/29/1283908129.db2.gz LCDWTXQCDNHRQV-ZDUSSCGKSA-N -1 0 339.482 2.970 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000810983161 1283908872 /nfs/dbraw/zinc/90/88/72/1283908872.db2.gz JXZIUNQDKQHKTG-NSHDSACASA-N -1 0 327.833 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C)c(-n3cccc3)c2)CC1 ZINC000810985295 1283913154 /nfs/dbraw/zinc/91/31/54/1283913154.db2.gz GWMZQVSPCMKKRH-UHFFFAOYSA-N -1 0 344.436 2.954 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2ccc(C)cc2C)CC1 ZINC000810986378 1283913679 /nfs/dbraw/zinc/91/36/79/1283913679.db2.gz XNUBXCWMGYBDMN-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000810985261 1283913766 /nfs/dbraw/zinc/91/37/66/1283913766.db2.gz FNSLEDYHEFJBAC-UHFFFAOYSA-N -1 0 347.358 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccccc2OC(C)C)CC1 ZINC000810985158 1283914216 /nfs/dbraw/zinc/91/42/16/1283914216.db2.gz AJIAEFBPSJNUIT-UHFFFAOYSA-N -1 0 337.441 2.571 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2OC2CCC2)CC1 ZINC000810985202 1283914306 /nfs/dbraw/zinc/91/43/06/1283914306.db2.gz CBVSSXKHCAGBCC-UHFFFAOYSA-N -1 0 335.425 2.786 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)SCc2ccccc2)CC1 ZINC000810988401 1283915136 /nfs/dbraw/zinc/91/51/36/1283915136.db2.gz IKTWOQBQBSUZRR-CYBMUJFWSA-N -1 0 339.482 2.863 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)c2ccc(F)cc2)CC1 ZINC000810987712 1283915168 /nfs/dbraw/zinc/91/51/68/1283915168.db2.gz XBHOXODHFDOTFQ-AWEZNQCLSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000810986809 1283915294 /nfs/dbraw/zinc/91/52/94/1283915294.db2.gz NVXCYCZANCVDRW-ZDUSSCGKSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCSc2ccc(F)cc2)CC1 ZINC000810987281 1283915321 /nfs/dbraw/zinc/91/53/21/1283915321.db2.gz FNKMLCUCJWVMMU-UHFFFAOYSA-N -1 0 343.445 2.863 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2cccc(F)c2)CC1 ZINC000810988630 1283915372 /nfs/dbraw/zinc/91/53/72/1283915372.db2.gz UGPMQSXDUZOKPP-UHFFFAOYSA-N -1 0 341.404 2.539 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000810986740 1283915720 /nfs/dbraw/zinc/91/57/20/1283915720.db2.gz LNBDKXHITBOVNT-UHFFFAOYSA-N -1 0 346.452 2.666 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000810988181 1283916589 /nfs/dbraw/zinc/91/65/89/1283916589.db2.gz LCEYOZKGYHAJJV-UHFFFAOYSA-N -1 0 332.425 2.953 20 30 EFEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1O ZINC000811645781 1284477453 /nfs/dbraw/zinc/47/74/53/1284477453.db2.gz CGBRTSLHEQGCQJ-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000811680691 1284508538 /nfs/dbraw/zinc/50/85/38/1284508538.db2.gz OXMHOUYRZRLXPA-UHFFFAOYSA-N -1 0 343.195 2.643 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000811830911 1284662190 /nfs/dbraw/zinc/66/21/90/1284662190.db2.gz LQONNDSTRWSQMN-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM O=C([O-])COc1ccc(C=NOC2CCC2)cc1Br ZINC000812237157 1284992437 /nfs/dbraw/zinc/99/24/37/1284992437.db2.gz MNFXEZCOOXPGLZ-UHFFFAOYSA-N -1 0 328.162 2.816 20 30 EFEDRM C#CCO[N-]C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 ZINC000812786374 1285416824 /nfs/dbraw/zinc/41/68/24/1285416824.db2.gz KMIMRFWRHWSUEO-UHFFFAOYSA-N -1 0 329.425 2.769 20 30 EFEDRM Cc1onc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1C#N ZINC000813684985 1286063690 /nfs/dbraw/zinc/06/36/90/1286063690.db2.gz ZVJXNYLWAUHEMP-UHFFFAOYSA-N -1 0 340.166 2.726 20 30 EFEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813985007 1286234753 /nfs/dbraw/zinc/23/47/53/1286234753.db2.gz JNBSAUIABNUAMM-HNNXBMFYSA-N -1 0 349.456 2.755 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000814014597 1286238681 /nfs/dbraw/zinc/23/86/81/1286238681.db2.gz FVNJLFKHPYFHBA-QGZVFWFLSA-N -1 0 342.420 2.964 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000814017113 1286239477 /nfs/dbraw/zinc/23/94/77/1286239477.db2.gz WFVBIMFFWACUJN-CQSZACIVSA-N -1 0 334.422 2.831 20 30 EFEDRM CC(=O)Nc1cccc(OCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000103716681 1286378324 /nfs/dbraw/zinc/37/83/24/1286378324.db2.gz FZFGMIXWCNAITA-WOJGMQOQSA-N -1 0 343.339 2.757 20 30 EFEDRM CC(C)(C)c1cc(C=Nn2c(=O)[n-][nH]c2=O)c(O)c(C(C)(C)C)c1 ZINC000814233076 1286429442 /nfs/dbraw/zinc/42/94/42/1286429442.db2.gz ZTJHVYJEIHKXIP-UHFFFAOYSA-N -1 0 332.404 2.872 20 30 EFEDRM O=C([O-])COc1ccc(Br)cc1C=NOCC1CC1 ZINC000814243575 1286439181 /nfs/dbraw/zinc/43/91/81/1286439181.db2.gz DGLXEOBDXOZDGN-UHFFFAOYSA-N -1 0 328.162 2.673 20 30 EFEDRM CC(N=Nc1ccc(Cl)nn1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814697802 1286918730 /nfs/dbraw/zinc/91/87/30/1286918730.db2.gz DHRXAXCIEIOHRE-SNVBAGLBSA-N -1 0 334.763 2.818 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)=NNS(=O)(=O)c1cc(C)ccc1C ZINC000814699926 1286922106 /nfs/dbraw/zinc/92/21/06/1286922106.db2.gz UFFQIVXXPTUWCZ-UHFFFAOYSA-N -1 0 338.429 2.603 20 30 EFEDRM N#Cc1cc(Nc2cccc(C(=O)N3CCOCC3)c2)c([O-])cc1F ZINC001174179488 1286926547 /nfs/dbraw/zinc/92/65/47/1286926547.db2.gz KATKTRSVUZPYEG-UHFFFAOYSA-N -1 0 341.342 2.619 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814717632 1286960420 /nfs/dbraw/zinc/96/04/20/1286960420.db2.gz NZINNPYCHMKFKF-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000814717170 1286960509 /nfs/dbraw/zinc/96/05/09/1286960509.db2.gz BAVXIWQDJCIUNM-HZMBPMFUSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000814716028 1286961525 /nfs/dbraw/zinc/96/15/25/1286961525.db2.gz VTCAEDNLKVTNQO-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000814717177 1286962327 /nfs/dbraw/zinc/96/23/27/1286962327.db2.gz BBZSUCYDRUYKKH-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814721837 1286965009 /nfs/dbraw/zinc/96/50/09/1286965009.db2.gz YGMFNRKSBZPAHX-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814721245 1286965061 /nfs/dbraw/zinc/96/50/61/1286965061.db2.gz ANGKLXYQHVTRIQ-QMTHXVAHSA-N -1 0 335.429 2.858 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1nc2c(s1)CCCC2 ZINC000814723575 1286965855 /nfs/dbraw/zinc/96/58/55/1286965855.db2.gz IRGYMDATDHOUSS-UHFFFAOYSA-N -1 0 333.364 2.803 20 30 EFEDRM CO[C@@H]1C[C@H](c2ccccc2)CCC1N=Nc1nnc(C)c(=O)[n-]1 ZINC000814734701 1286974600 /nfs/dbraw/zinc/97/46/00/1286974600.db2.gz HJNWTHSCXSGOQK-UKRRQHHQSA-N -1 0 327.388 2.636 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000814744116 1286987212 /nfs/dbraw/zinc/98/72/12/1286987212.db2.gz PRGKUVUWKRGSID-UHFFFAOYSA-N -1 0 343.383 2.590 20 30 EFEDRM CC(C)CCNC(=S)NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814759034 1287004345 /nfs/dbraw/zinc/00/43/45/1287004345.db2.gz OTGVDMFJDIHQQM-UHFFFAOYSA-N -1 0 327.837 2.882 20 30 EFEDRM CCCNC(=S)NN=C(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814761453 1287005624 /nfs/dbraw/zinc/00/56/24/1287005624.db2.gz MYUNIPSFFZVIJG-UHFFFAOYSA-N -1 0 337.445 2.528 20 30 EFEDRM C[C@H]1CC(=NNC(=S)NCCc2cccs2)CC[C@@H]1C(=O)[O-] ZINC000814791828 1287022078 /nfs/dbraw/zinc/02/20/78/1287022078.db2.gz AUMJSBJWONUCQZ-GWCFXTLKSA-N -1 0 339.486 2.632 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)NCc2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000814785977 1287036660 /nfs/dbraw/zinc/03/66/60/1287036660.db2.gz PIZUZHXEFDJJSF-QMTHXVAHSA-N -1 0 337.420 2.667 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C#N)c1 ZINC001174505945 1287046153 /nfs/dbraw/zinc/04/61/53/1287046153.db2.gz VTFVCJRNGLYMSO-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814821679 1287055221 /nfs/dbraw/zinc/05/52/21/1287055221.db2.gz FQOAIXMPSPMVON-YUMQZZPRSA-N -1 0 339.383 2.526 20 30 EFEDRM CC(=NNC(=S)NCC1CCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814833654 1287081968 /nfs/dbraw/zinc/08/19/68/1287081968.db2.gz OMUCRYRDJGRNGG-LBPRGKRZSA-N -1 0 349.456 2.527 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1cccnn1 ZINC000814854367 1287085333 /nfs/dbraw/zinc/08/53/33/1287085333.db2.gz WNHUIJBMDLHNSH-UHFFFAOYSA-N -1 0 328.372 2.751 20 30 EFEDRM Cc1ccc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)nn1 ZINC000814840617 1287092553 /nfs/dbraw/zinc/09/25/53/1287092553.db2.gz OHVAPQFDYMGDKI-UHFFFAOYSA-N -1 0 328.372 2.669 20 30 EFEDRM Cc1cc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)ncn1 ZINC000814846016 1287096979 /nfs/dbraw/zinc/09/69/79/1287096979.db2.gz CUHXMCNZMCEHGT-UHFFFAOYSA-N -1 0 328.372 2.669 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@@H](C#N)C1)[n-]c2=O ZINC000814846285 1287097047 /nfs/dbraw/zinc/09/70/47/1287097047.db2.gz CWHAHRIJKPTOTK-SNVBAGLBSA-N -1 0 327.392 2.769 20 30 EFEDRM CC(=NNC(=S)N[C@@H](C)C1CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814865825 1287106610 /nfs/dbraw/zinc/10/66/10/1287106610.db2.gz AENYKKUXJGLEDY-BIMULSAOSA-N -1 0 325.478 2.762 20 30 EFEDRM COc1cc(Nc2ccc(NC(C)=O)c(C#N)c2)ccc1C(=O)[O-] ZINC001174685185 1287113173 /nfs/dbraw/zinc/11/31/73/1287113173.db2.gz JWOAHRZOCMPBIS-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1C#N ZINC001174686198 1287114874 /nfs/dbraw/zinc/11/48/74/1287114874.db2.gz LLOWQFDTJNUETC-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNS(=O)(=O)c1ccc(F)cc1 ZINC000814875517 1287117903 /nfs/dbraw/zinc/11/79/03/1287117903.db2.gz LCSBFTLNMITXJR-UHFFFAOYSA-N -1 0 344.408 2.905 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc(C(C)(C)C)nc1 ZINC000814888111 1287131188 /nfs/dbraw/zinc/13/11/88/1287131188.db2.gz XVALVLKGHYUEGV-UHFFFAOYSA-N -1 0 328.372 2.927 20 30 EFEDRM C[C@H]1C(N=Nc2cc(Cl)nc(N)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814899064 1287139831 /nfs/dbraw/zinc/13/98/31/1287139831.db2.gz GTLIWGLKZRAQNQ-JGVFFNPUSA-N -1 0 325.800 2.637 20 30 EFEDRM COc1cccc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000814900400 1287140417 /nfs/dbraw/zinc/14/04/17/1287140417.db2.gz RHVQWJAVZHMRSP-UHFFFAOYSA-N -1 0 343.383 2.974 20 30 EFEDRM C[C@@H]1C(=NNCCC(=O)OC(C)(C)C)CC[C@H](C(=O)[O-])C1(C)C ZINC000814901781 1287141241 /nfs/dbraw/zinc/14/12/41/1287141241.db2.gz XBKCSRSQONPJHA-VXGBXAGGSA-N -1 0 326.437 2.821 20 30 EFEDRM C[C@@H]1C(=NNCCC(=O)OC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814901777 1287141330 /nfs/dbraw/zinc/14/13/30/1287141330.db2.gz XBKCSRSQONPJHA-NEPJUHHUSA-N -1 0 326.437 2.821 20 30 EFEDRM CC(=NNC(=S)Nc1ccccn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814882264 1287151384 /nfs/dbraw/zinc/15/13/84/1287151384.db2.gz FNNYOZYQLHUYMV-NEPJUHHUSA-N -1 0 334.445 2.881 20 30 EFEDRM O=C([O-])c1cccc(C=Nn2cc(Br)cn2)c1Cl ZINC000814884149 1287152055 /nfs/dbraw/zinc/15/20/55/1287152055.db2.gz DPFZKGPYYGYGLM-UHFFFAOYSA-N -1 0 328.553 2.879 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCSC1 ZINC000814933117 1287165005 /nfs/dbraw/zinc/16/50/05/1287165005.db2.gz DZCUYCHMTHSAMF-UKRRQHHQSA-N -1 0 336.457 2.942 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@H]1CCSC1 ZINC000814933160 1287165503 /nfs/dbraw/zinc/16/55/03/1287165503.db2.gz GEBMRBYAQAPXRK-HNNXBMFYSA-N -1 0 336.457 2.944 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ncncc1F ZINC000814940453 1287168635 /nfs/dbraw/zinc/16/86/35/1287168635.db2.gz XYFJZDOYZHCXCT-GFCCVEGCSA-N -1 0 346.362 2.888 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1cnn(C)c1 ZINC000814914635 1287174186 /nfs/dbraw/zinc/17/41/86/1287174186.db2.gz FKSGTLFWXBDHER-UHFFFAOYSA-N -1 0 330.388 2.694 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(N=Nc2nc(-c3cccnc3)no2)C1 ZINC000814949463 1287181441 /nfs/dbraw/zinc/18/14/41/1287181441.db2.gz AIJOLQHXRHRINC-UHFFFAOYSA-N -1 0 349.350 2.716 20 30 EFEDRM O=C([O-])CNN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000814959128 1287186969 /nfs/dbraw/zinc/18/69/69/1287186969.db2.gz OXIDCFSJNMJGOH-UHFFFAOYSA-N -1 0 333.275 2.534 20 30 EFEDRM O=C([O-])CNN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000814958170 1287187053 /nfs/dbraw/zinc/18/70/53/1287187053.db2.gz CKLLYYXKGMCIHT-UHFFFAOYSA-N -1 0 338.342 2.687 20 30 EFEDRM O=C([O-])CNN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000814959313 1287187236 /nfs/dbraw/zinc/18/72/36/1287187236.db2.gz ZPVSQBZSXSFGQK-UHFFFAOYSA-N -1 0 334.379 2.607 20 30 EFEDRM COc1cc(OC)cc(Oc2ccc(C=NNCC(=O)[O-])cc2)c1 ZINC000814960211 1287188316 /nfs/dbraw/zinc/18/83/16/1287188316.db2.gz MSYDJZIGZKZNIO-UHFFFAOYSA-N -1 0 330.340 2.504 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815904359 1287875089 /nfs/dbraw/zinc/87/50/89/1287875089.db2.gz CXVRYWCMJGCJMV-CQSZACIVSA-N -1 0 331.416 2.888 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccn1C(C)C ZINC000815904919 1287875225 /nfs/dbraw/zinc/87/52/25/1287875225.db2.gz TWMMEIDFFYQJBS-INIZCTEOSA-N -1 0 333.432 2.631 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000815910496 1287879007 /nfs/dbraw/zinc/87/90/07/1287879007.db2.gz YWOUCJBPDNAQLZ-MRVPVSSYSA-N -1 0 343.246 2.920 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815911776 1287879119 /nfs/dbraw/zinc/87/91/19/1287879119.db2.gz NYVPPEIJUGDWAQ-GFCCVEGCSA-N -1 0 335.791 2.515 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000815898294 1287888995 /nfs/dbraw/zinc/88/89/95/1287888995.db2.gz YMOZORDEUFAZPN-UHFFFAOYSA-N -1 0 343.273 2.722 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C(F)=C\C2CCCCC2)CCCC1 ZINC000816008634 1287933097 /nfs/dbraw/zinc/93/30/97/1287933097.db2.gz AASKXCSDIDVIGX-GXDHUFHOSA-N -1 0 342.436 2.950 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)ccn1C(C)C ZINC000816009195 1287933988 /nfs/dbraw/zinc/93/39/88/1287933988.db2.gz RJVIIUGBVZCWTI-UHFFFAOYSA-N -1 0 337.445 2.521 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000815983186 1287937416 /nfs/dbraw/zinc/93/74/16/1287937416.db2.gz SWBTZYBKQLKPJZ-UHFFFAOYSA-N -1 0 341.738 2.804 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000815992515 1287942181 /nfs/dbraw/zinc/94/21/81/1287942181.db2.gz MQQAJJPQYZLUSE-UHFFFAOYSA-N -1 0 343.408 2.504 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1nc(C)oc1C)c1ccccc1 ZINC000816038599 1287950078 /nfs/dbraw/zinc/95/00/78/1287950078.db2.gz BQFYANJCQSYGGN-HUUCEWRRSA-N -1 0 325.368 2.881 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C)c1ccccc1 ZINC000816039550 1287950158 /nfs/dbraw/zinc/95/01/58/1287950158.db2.gz ZARPPVKQKKANNH-IRXDYDNUSA-N -1 0 346.390 2.852 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)ccn1C(C)C ZINC000816032985 1287964190 /nfs/dbraw/zinc/96/41/90/1287964190.db2.gz WTWGLWNXLWMFED-UHFFFAOYSA-N -1 0 349.387 2.507 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680113 1288067828 /nfs/dbraw/zinc/06/78/28/1288067828.db2.gz PWQPDIBKKRQGIB-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM C#CC[C@H](CO)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000816671172 1288237899 /nfs/dbraw/zinc/23/78/99/1288237899.db2.gz PVZPVFDCGOIFBA-CQSZACIVSA-N -1 0 329.783 2.827 20 30 EFEDRM Cn1ccc(C(=O)Nc2c(F)cc(C#N)cc2Cl)c1CC(=O)[O-] ZINC001177367436 1288405040 /nfs/dbraw/zinc/40/50/40/1288405040.db2.gz MQGXTPCDIMMGCU-UHFFFAOYSA-N -1 0 335.722 2.569 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794724016 1303026158 /nfs/dbraw/zinc/02/61/58/1303026158.db2.gz BPRCIDWVTDRLRX-KXFIGUGUSA-N -1 0 340.291 2.527 20 30 EFEDRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@H]1CCCN(O)C1=O ZINC000823161068 1289231827 /nfs/dbraw/zinc/23/18/27/1289231827.db2.gz NYACWGZXLRMHBD-ZDUSSCGKSA-N -1 0 345.424 2.537 20 30 EFEDRM O=C([N-]Cc1cn(CC(F)(F)F)cn1)C(F)(F)C(F)(F)Cl ZINC001179781853 1289255841 /nfs/dbraw/zinc/25/58/41/1289255841.db2.gz SLCAYOJVVDIKMM-UHFFFAOYSA-N -1 0 341.614 2.529 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])CO2 ZINC001180361045 1289497465 /nfs/dbraw/zinc/49/74/65/1289497465.db2.gz USWHLERTPIYEJU-LBPRGKRZSA-N -1 0 342.326 2.601 20 30 EFEDRM C=CCSCC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001180560361 1289566704 /nfs/dbraw/zinc/56/67/04/1289566704.db2.gz HZYLUBLXQWXSTN-UHFFFAOYSA-N -1 0 337.422 2.944 20 30 EFEDRM COc1cc(F)c(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c(F)c1 ZINC001181126440 1289714839 /nfs/dbraw/zinc/71/48/39/1289714839.db2.gz JOWMSCNXWLCPBY-UHFFFAOYSA-N -1 0 336.269 2.871 20 30 EFEDRM COC(=O)c1ccccc1CCC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001181158505 1289726266 /nfs/dbraw/zinc/72/62/66/1289726266.db2.gz KIVJSMAXPYXDHK-UHFFFAOYSA-N -1 0 342.326 2.761 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C)CC(F)(F)C2)n1 ZINC000873439560 1289815207 /nfs/dbraw/zinc/81/52/07/1289815207.db2.gz IZCYNZPTRLEAFX-SECBINFHSA-N -1 0 328.340 2.606 20 30 EFEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582757 1289943661 /nfs/dbraw/zinc/94/36/61/1289943661.db2.gz TZZFAJUETLXEIV-UHFFFAOYSA-N -1 0 349.239 2.879 20 30 EFEDRM CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232678053 1312759616 /nfs/dbraw/zinc/75/96/16/1312759616.db2.gz OYKIXCBUJSKVBP-UHFFFAOYSA-N -1 0 331.416 2.753 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c1 ZINC001232681811 1312760680 /nfs/dbraw/zinc/76/06/80/1312760680.db2.gz VZOBWXOXJKPAJF-KRWDZBQOSA-N -1 0 335.398 2.959 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCNC(=O)[C@H]2c2ccc(Cl)cc2)c1 ZINC001232681707 1312761026 /nfs/dbraw/zinc/76/10/26/1312761026.db2.gz UPNXIZVZQBZREO-QGZVFWFLSA-N -1 0 341.798 2.590 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)Cc1ccc([S-])cc1 ZINC001183188816 1290306438 /nfs/dbraw/zinc/30/64/38/1290306438.db2.gz KZDLAYPCJZLNIP-UHFFFAOYSA-N -1 0 339.420 2.696 20 30 EFEDRM CN(C)C(=O)c1cccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000125169937 1290386219 /nfs/dbraw/zinc/38/62/19/1290386219.db2.gz JLQFLDDIOIQRSX-XDHOZWIPSA-N -1 0 341.367 2.664 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C#N ZINC001184695763 1290494813 /nfs/dbraw/zinc/49/48/13/1290494813.db2.gz HYIIMUMAUOJUTJ-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCOc3ccccc3O2)c([O-])cc1F ZINC001184716802 1290498275 /nfs/dbraw/zinc/49/82/75/1290498275.db2.gz SRUDHNCMVYTHJO-MRXNPFEDSA-N -1 0 328.299 2.572 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccs1 ZINC000091843959 1290516637 /nfs/dbraw/zinc/51/66/37/1290516637.db2.gz YHLMIQRJNWZDOE-UHFFFAOYSA-N -1 0 341.458 2.829 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000091843937 1290516699 /nfs/dbraw/zinc/51/66/99/1290516699.db2.gz MCXBEVXIFKGAAP-INIZCTEOSA-N -1 0 338.473 2.983 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c(C(C)(C)C)n1 ZINC000092313633 1290676809 /nfs/dbraw/zinc/67/68/09/1290676809.db2.gz GFLMVMVIFUEXBH-UHFFFAOYSA-N -1 0 339.392 2.550 20 30 EFEDRM COC(=O)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(C)c1 ZINC001185770834 1290759255 /nfs/dbraw/zinc/75/92/55/1290759255.db2.gz XNIKXNFFFWUFAS-UHFFFAOYSA-N -1 0 328.299 2.750 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cn1 ZINC001185954000 1290789850 /nfs/dbraw/zinc/78/98/50/1290789850.db2.gz DUNCTSWKZREMID-UHFFFAOYSA-N -1 0 341.396 2.560 20 30 EFEDRM N#Cc1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c([O-])cc1F ZINC001185976548 1290803889 /nfs/dbraw/zinc/80/38/89/1290803889.db2.gz BXKKHDFVOOFHQU-UHFFFAOYSA-N -1 0 329.287 2.818 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186263480 1290917098 /nfs/dbraw/zinc/91/70/98/1290917098.db2.gz UJNDEMRTHPSRFZ-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM CCCCOC(=O)N[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])C1CC1 ZINC001186298583 1290932414 /nfs/dbraw/zinc/93/24/14/1290932414.db2.gz QTGDSILWLJYOPG-OAHLLOKOSA-N -1 0 349.362 2.646 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC001186413074 1290946351 /nfs/dbraw/zinc/94/63/51/1290946351.db2.gz BBSXLPAAUAWVDP-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM N#Cc1cc(Nc2cnn(CCO[C@H]3CCCCO3)c2)c([O-])cc1F ZINC001212955232 1291062969 /nfs/dbraw/zinc/06/29/69/1291062969.db2.gz GPGFXPLAMDYIQH-KRWDZBQOSA-N -1 0 346.362 2.886 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000780358945 1291235022 /nfs/dbraw/zinc/23/50/22/1291235022.db2.gz OPOYSSPFQAUJDA-UHFFFAOYSA-N -1 0 338.816 2.600 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2nccs2)c1 ZINC001187890204 1291265958 /nfs/dbraw/zinc/26/59/58/1291265958.db2.gz DQKNZDKTCXHCHS-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cn(C)c(C(=O)OCC)n1 ZINC001187994110 1291280596 /nfs/dbraw/zinc/28/05/96/1291280596.db2.gz DSQXZYPIYNOGRF-UHFFFAOYSA-N -1 0 345.465 2.699 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1oncc1C(=O)OCC ZINC001187993492 1291281094 /nfs/dbraw/zinc/28/10/94/1291281094.db2.gz YNSWWVUVCSEUFJ-UHFFFAOYSA-N -1 0 332.422 2.954 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cnc1C#N ZINC001188040001 1291285782 /nfs/dbraw/zinc/28/57/82/1291285782.db2.gz NNISPSNRZGVORN-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC001188047915 1291290013 /nfs/dbraw/zinc/29/00/13/1291290013.db2.gz LLMOKOKJDYERCV-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ccc(OC)cc1C(N)=O ZINC001188017701 1291295369 /nfs/dbraw/zinc/29/53/69/1291295369.db2.gz BTAJWLYZCACQOW-UHFFFAOYSA-N -1 0 342.461 2.896 20 30 EFEDRM N#Cc1cnn(-c2cccc(Cl)c2)c1[N-]S(=O)(=O)C1CCC1 ZINC001188109198 1291313101 /nfs/dbraw/zinc/31/31/01/1291313101.db2.gz WALUPXWFKNATNQ-UHFFFAOYSA-N -1 0 336.804 2.692 20 30 EFEDRM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCN(O)C3=O)cc2)cs1 ZINC000878092302 1291489619 /nfs/dbraw/zinc/48/96/19/1291489619.db2.gz QPNCQSJJFZFLQG-ZDUSSCGKSA-N -1 0 346.412 2.620 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)c1 ZINC001189201355 1291610550 /nfs/dbraw/zinc/61/05/50/1291610550.db2.gz SEVPMKOTVGYICP-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1C#N ZINC001189264954 1291656807 /nfs/dbraw/zinc/65/68/07/1291656807.db2.gz VQLOBPCJTZIKFW-UHFFFAOYSA-N -1 0 329.353 2.543 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189308960 1291667734 /nfs/dbraw/zinc/66/77/34/1291667734.db2.gz DNCFPPDWECRHID-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189425254 1291721446 /nfs/dbraw/zinc/72/14/46/1291721446.db2.gz BDAYXPVRVVZOBM-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM CCCn1ccc2cc(NC(=O)N[C@H]3CCCN(O)C3=O)ccc21 ZINC000878612074 1291734374 /nfs/dbraw/zinc/73/43/74/1291734374.db2.gz GFNPJEYUENLMHP-AWEZNQCLSA-N -1 0 330.388 2.553 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1C#N ZINC001189643870 1291777903 /nfs/dbraw/zinc/77/79/03/1291777903.db2.gz KAFSFQSRBGYDBS-UHFFFAOYSA-N -1 0 329.353 2.543 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000775297953 1291815992 /nfs/dbraw/zinc/81/59/92/1291815992.db2.gz FSZAENSPIKTQNK-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189693717 1291816568 /nfs/dbraw/zinc/81/65/68/1291816568.db2.gz FZSWDQKLBKPVTL-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)sc1C ZINC000775292700 1291820742 /nfs/dbraw/zinc/82/07/42/1291820742.db2.gz GIAQQUCUPDIXCP-UHFFFAOYSA-N -1 0 334.422 2.550 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2Cc3ccc(F)cc32)n1 ZINC000796069416 1291922802 /nfs/dbraw/zinc/92/28/02/1291922802.db2.gz WRWMFYDDGRXXAK-UONOGXRCSA-N -1 0 344.367 2.650 20 30 EFEDRM CCN(CCC#N)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233307929 1312896599 /nfs/dbraw/zinc/89/65/99/1312896599.db2.gz VTLBBHJBYOQCDT-UHFFFAOYSA-N -1 0 341.205 2.677 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203293207 1312901357 /nfs/dbraw/zinc/90/13/57/1312901357.db2.gz FHCWPHPFXQGVNK-UHFFFAOYSA-N -1 0 327.315 2.807 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190296508 1292112238 /nfs/dbraw/zinc/11/22/38/1292112238.db2.gz UGEPRXGDNUFYKB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190357728 1292134340 /nfs/dbraw/zinc/13/43/40/1292134340.db2.gz CYXMPPHHVAXFRU-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190388839 1292143176 /nfs/dbraw/zinc/14/31/76/1292143176.db2.gz AESRDQCXZRRVRF-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190388715 1292143683 /nfs/dbraw/zinc/14/36/83/1292143683.db2.gz VHVIMCWJZVOZBN-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncccc2C(F)(F)F)c1 ZINC001190616378 1292228442 /nfs/dbraw/zinc/22/84/42/1292228442.db2.gz PBEHZKJVUUJYLI-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2[O-])nc1 ZINC001190591703 1292236809 /nfs/dbraw/zinc/23/68/09/1292236809.db2.gz BALTVUIMJIDNTL-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1F ZINC001190658423 1292250405 /nfs/dbraw/zinc/25/04/05/1292250405.db2.gz WDYARHWRFWYOMB-UHFFFAOYSA-N -1 0 333.319 2.703 20 30 EFEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccc(F)cc1)c1ncc[nH]1 ZINC001190730764 1292294439 /nfs/dbraw/zinc/29/44/39/1292294439.db2.gz HRZWDDKBDVJVIW-UHFFFAOYSA-N -1 0 341.367 2.749 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccc(F)cc2)CC1 ZINC001190772674 1292308450 /nfs/dbraw/zinc/30/84/50/1292308450.db2.gz HKCNFTZGMRHKOG-UHFFFAOYSA-N -1 0 346.387 2.733 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Br)cnc2C#N)CC1 ZINC001190772634 1292308566 /nfs/dbraw/zinc/30/85/66/1292308566.db2.gz FOJYDGZJLCLDOS-UHFFFAOYSA-N -1 0 342.218 2.566 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190854080 1292341819 /nfs/dbraw/zinc/34/18/19/1292341819.db2.gz GQSVDXCFCRFIDH-UHFFFAOYSA-N -1 0 331.473 2.506 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2C(C)=O)CC1 ZINC001190814025 1292346581 /nfs/dbraw/zinc/34/65/81/1292346581.db2.gz WTTWKNNVZHCSQG-UHFFFAOYSA-N -1 0 337.397 2.526 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccncc2)c(OC(F)(F)F)c1 ZINC001190886636 1292364429 /nfs/dbraw/zinc/36/44/29/1292364429.db2.gz FURSLXIDPRCLKO-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190894160 1292367985 /nfs/dbraw/zinc/36/79/85/1292367985.db2.gz WDRGLCXKVULBJA-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C#N ZINC001190932269 1292374157 /nfs/dbraw/zinc/37/41/57/1292374157.db2.gz FDBYYOCWFFEKGX-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc(C)n1 ZINC001190938887 1292377501 /nfs/dbraw/zinc/37/75/01/1292377501.db2.gz DHTRWMVJMSXABE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190938956 1292377844 /nfs/dbraw/zinc/37/78/44/1292377844.db2.gz HRRSJVTYIKMWBO-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(F)cc2F)c1 ZINC001190937385 1292378639 /nfs/dbraw/zinc/37/86/39/1292378639.db2.gz IVESLNNQPWPOHR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190903962 1292386861 /nfs/dbraw/zinc/38/68/61/1292386861.db2.gz QEMDPARJUBKDSS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190969961 1292403677 /nfs/dbraw/zinc/40/36/77/1292403677.db2.gz VPRZIZOHDCLZJG-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190971301 1292405236 /nfs/dbraw/zinc/40/52/36/1292405236.db2.gz GRXDMWNGWPFQRO-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2CO)c1 ZINC001190972589 1292407363 /nfs/dbraw/zinc/40/73/63/1292407363.db2.gz FAHSFKDRAOJDSH-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2CO)c1 ZINC001190972750 1292407659 /nfs/dbraw/zinc/40/76/59/1292407659.db2.gz IEFMTVHWSRZPBH-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)o1 ZINC001191154296 1292482272 /nfs/dbraw/zinc/48/22/72/1292482272.db2.gz WBSAZYZAHCNNOY-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)s2)cc1 ZINC001191413524 1292537429 /nfs/dbraw/zinc/53/74/29/1292537429.db2.gz IZRHXJZYJLRYKO-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191865995 1292697054 /nfs/dbraw/zinc/69/70/54/1292697054.db2.gz AMOLEMBGXRZZGC-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@@H]1CCCN(O)C1=O ZINC000880973657 1292705119 /nfs/dbraw/zinc/70/51/19/1292705119.db2.gz GLYKLDGQFFQRNZ-LLVKDONJSA-N -1 0 345.321 2.824 20 30 EFEDRM COc1ccc2cc(S(=O)(=O)[N-]c3cccnc3C#N)ccc2c1 ZINC001191936129 1292720404 /nfs/dbraw/zinc/72/04/04/1292720404.db2.gz GJCVUJJEWSXIGM-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1C#N ZINC001192031877 1292755830 /nfs/dbraw/zinc/75/58/30/1292755830.db2.gz JDZSDVHXSJENHP-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM C=CCCCCN(C)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192130198 1292787630 /nfs/dbraw/zinc/78/76/30/1292787630.db2.gz BYIAXSRYOJNYAP-UHFFFAOYSA-N -1 0 325.430 2.681 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnc(C)o2)c1 ZINC001192267393 1292848958 /nfs/dbraw/zinc/84/89/58/1292848958.db2.gz QBOFMAKFXAXIFE-UHFFFAOYSA-N -1 0 339.376 2.827 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1n[n-]c(=O)cc1Cl ZINC001233586695 1312961559 /nfs/dbraw/zinc/96/15/59/1312961559.db2.gz HSWREWVOMXEJQV-NSHDSACASA-N -1 0 341.795 2.780 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001192539480 1292922702 /nfs/dbraw/zinc/92/27/02/1292922702.db2.gz JJHSRPNTNADEBV-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cnc1Cl ZINC001192572536 1292952564 /nfs/dbraw/zinc/95/25/64/1292952564.db2.gz ZKHWVUPQQZIXLB-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1c([O-])ccc(F)c1F ZINC001192728891 1293002183 /nfs/dbraw/zinc/00/21/83/1293002183.db2.gz APVMGRYNPZAYJZ-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H](O)Cc2ccccc2)c1[O-] ZINC000303387369 1293005997 /nfs/dbraw/zinc/00/59/97/1293005997.db2.gz BFHIJOFVRJOHEA-UHPUNMKFSA-N -1 0 334.759 2.976 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)C)c1 ZINC001192774822 1293032221 /nfs/dbraw/zinc/03/22/21/1293032221.db2.gz FODOUKHYFLQZSX-UHFFFAOYSA-N -1 0 348.428 2.707 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192893655 1293090953 /nfs/dbraw/zinc/09/09/53/1293090953.db2.gz CIHAMDNKAADNGK-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1ccc(-n2nc3c(c2[N-]S(=O)(=O)CC#N)CSC3)c(C)c1 ZINC001192942762 1293104717 /nfs/dbraw/zinc/10/47/17/1293104717.db2.gz ALFQMCIIWHRIMX-UHFFFAOYSA-N -1 0 348.453 2.501 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)n1 ZINC000903634542 1312977811 /nfs/dbraw/zinc/97/78/11/1312977811.db2.gz IUZOVVGRUUWNEH-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cccc(Br)c1C(F)(F)F ZINC001192986326 1293118009 /nfs/dbraw/zinc/11/80/09/1293118009.db2.gz XKSFMVZPLWTJJR-UHFFFAOYSA-N -1 0 343.124 2.733 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C#N)c2ccccc12 ZINC001193009561 1293138136 /nfs/dbraw/zinc/13/81/36/1293138136.db2.gz YYTKPFWXMVVKJI-UHFFFAOYSA-N -1 0 346.408 2.795 20 30 EFEDRM N#CC1(NC(=O)c2cc(Cl)nc(Cl)c2[O-])Cc2ccccc2C1 ZINC001193097922 1293167089 /nfs/dbraw/zinc/16/70/89/1293167089.db2.gz KLWXUUYIGRLXBB-UHFFFAOYSA-N -1 0 348.189 2.885 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2cc(C(F)(F)F)ccc2c1 ZINC001193106936 1293171489 /nfs/dbraw/zinc/17/14/89/1293171489.db2.gz LWVYEZHOHPLENX-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1sc(Cc2ccccc2)cc1C#N ZINC001193106886 1293171734 /nfs/dbraw/zinc/17/17/34/1293171734.db2.gz ZWTZPYSIXUSPNE-LLVKDONJSA-N -1 0 331.422 2.864 20 30 EFEDRM CCOC(=O)c1cc(C(C)C)sc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193105193 1293171774 /nfs/dbraw/zinc/17/17/74/1293171774.db2.gz SBNQUFFMWCTYJZ-SECBINFHSA-N -1 0 330.431 2.702 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2cc(Br)ccc2c1 ZINC001193106743 1293171787 /nfs/dbraw/zinc/17/17/87/1293171787.db2.gz JKLUOSPRDBPOGQ-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193146463 1293186008 /nfs/dbraw/zinc/18/60/08/1293186008.db2.gz NDMSJMPUUBYYSP-LURJTMIESA-N -1 0 336.200 2.606 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2ncc(Br)cc12 ZINC001193148785 1293186103 /nfs/dbraw/zinc/18/61/03/1293186103.db2.gz FDUQPWCVTRXDFC-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1NC(=O)OC(C)(C)C ZINC001193151830 1293186876 /nfs/dbraw/zinc/18/68/76/1293186876.db2.gz UYJXHKHIZRPEQY-SNVBAGLBSA-N -1 0 325.390 2.687 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc3ncccc3o2)cc1 ZINC001193149337 1293187183 /nfs/dbraw/zinc/18/71/83/1293187183.db2.gz NJXZMNKGCXLAQX-JTQLQIEISA-N -1 0 328.353 2.544 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(=O)c2ccccc2)c1 ZINC001193158579 1293188456 /nfs/dbraw/zinc/18/84/56/1293188456.db2.gz RYVJLTSZNBSUBP-ZDUSSCGKSA-N -1 0 328.393 2.880 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(O)cc(C(F)(F)F)cc1Cl ZINC001193158872 1293188784 /nfs/dbraw/zinc/18/87/84/1293188784.db2.gz WACSZZNUAVXFQN-YFKPBYRVSA-N -1 0 328.699 2.718 20 30 EFEDRM Cc1cccc(NC(=O)OC(C)(C)C)c1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193158331 1293189213 /nfs/dbraw/zinc/18/92/13/1293189213.db2.gz NYEXFSJGSQWJME-LLVKDONJSA-N -1 0 339.417 2.996 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1-c1ccccc1 ZINC001193161177 1293190430 /nfs/dbraw/zinc/19/04/30/1293190430.db2.gz MOUJBMSUXBBQKY-LBPRGKRZSA-N -1 0 344.392 2.794 20 30 EFEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2ccncc2C#N)cc1C ZINC000903638013 1312984745 /nfs/dbraw/zinc/98/47/45/1312984745.db2.gz XGULNQXQEFEGQO-UHFFFAOYSA-N -1 0 345.424 2.616 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(CC)ccc1Cl ZINC001233763024 1312986604 /nfs/dbraw/zinc/98/66/04/1312986604.db2.gz UKQKDKFVZGYRPL-LBPRGKRZSA-N -1 0 334.821 2.740 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(C#N)c1C ZINC000903641597 1312991001 /nfs/dbraw/zinc/99/10/01/1312991001.db2.gz SGZDZSDRACWRCA-UHFFFAOYSA-N -1 0 336.442 2.648 20 30 EFEDRM Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)CC2CCC2)cc1 ZINC001193471487 1293317161 /nfs/dbraw/zinc/31/71/61/1293317161.db2.gz SKHCKLDWSBUMQO-UHFFFAOYSA-N -1 0 330.413 2.594 20 30 EFEDRM N#Cc1cc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)ccc1[O-] ZINC001193498108 1293325734 /nfs/dbraw/zinc/32/57/34/1293325734.db2.gz GTANQEBCTBBOEG-UHFFFAOYSA-N -1 0 341.330 2.845 20 30 EFEDRM COc1ccc(-c2ccccn2)nc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193499639 1293326504 /nfs/dbraw/zinc/32/65/04/1293326504.db2.gz SYUNYUFZORIIDD-UHFFFAOYSA-N -1 0 346.346 2.982 20 30 EFEDRM Cc1ncc(NC(=O)c2ccc([O-])c(C#N)c2)cc1Br ZINC001193498939 1293326885 /nfs/dbraw/zinc/32/68/85/1293326885.db2.gz NMKPRLMNFGKOGS-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccccc23)ccc1[O-] ZINC001193504349 1293336262 /nfs/dbraw/zinc/33/62/62/1293336262.db2.gz QLBJVKJZTYBVHY-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM N#Cc1cc(C(=O)N2CCc3nn(-c4ccccc4)cc3C2)ccc1[O-] ZINC001193505034 1293336857 /nfs/dbraw/zinc/33/68/57/1293336857.db2.gz XBZKMLMMWUEBPL-UHFFFAOYSA-N -1 0 344.374 2.648 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)ccc1[O-] ZINC001193506703 1293337150 /nfs/dbraw/zinc/33/71/50/1293337150.db2.gz OSKCIDPXSKXBJH-AYBZRNKSSA-N -1 0 340.423 2.931 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2sccc2C#N)c(C2CCCC2)n1 ZINC000903643642 1312994719 /nfs/dbraw/zinc/99/47/19/1312994719.db2.gz XPZHVTVSTXQEJD-UHFFFAOYSA-N -1 0 336.442 2.812 20 30 EFEDRM CSc1ccc(OCCNC(=O)c2ccc([O-])c(C#N)c2)cc1 ZINC001193515930 1293340919 /nfs/dbraw/zinc/34/09/19/1293340919.db2.gz VHPIOZZSNVDDKM-UHFFFAOYSA-N -1 0 328.393 2.795 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccnn2)ccc1[O-] ZINC001193519174 1293342812 /nfs/dbraw/zinc/34/28/12/1293342812.db2.gz SNQTYHSIRQLION-GOSISDBHSA-N -1 0 330.347 2.573 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC001193636163 1293378269 /nfs/dbraw/zinc/37/82/69/1293378269.db2.gz LXAYPLNJQXTQMX-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(-c2cc(NC(=O)c3cccc(C#N)c3[O-])n(C)n2)cc1 ZINC001193634432 1293378924 /nfs/dbraw/zinc/37/89/24/1293378924.db2.gz CZTACNKYQUGUEK-UHFFFAOYSA-N -1 0 348.362 2.925 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)no2)c1 ZINC001193639716 1293379224 /nfs/dbraw/zinc/37/92/24/1293379224.db2.gz BFAWSUNPFBQFEQ-UHFFFAOYSA-N -1 0 349.412 2.944 20 30 EFEDRM CCOC(=O)c1c(NC(=O)c2cccc(C#N)c2[O-])ccn1CC ZINC001193642667 1293381793 /nfs/dbraw/zinc/38/17/93/1293381793.db2.gz MGULRKZEGGZIQB-UHFFFAOYSA-N -1 0 327.340 2.514 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cnc(-c3ccc(O)cc3)nc2)c1[O-] ZINC001193642675 1293381927 /nfs/dbraw/zinc/38/19/27/1293381927.db2.gz MRLRCVOKKCWGDB-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM COc1cccc(Cn2nccc2NC(=O)c2cccc(C#N)c2[O-])c1 ZINC001193643055 1293383872 /nfs/dbraw/zinc/38/38/72/1293383872.db2.gz WDTRIHFYUZBIII-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)cnc2C)c1 ZINC001193644270 1293384260 /nfs/dbraw/zinc/38/42/60/1293384260.db2.gz CYRYVBZBZDPJIX-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001193644682 1293385358 /nfs/dbraw/zinc/38/53/58/1293385358.db2.gz OHPYQSUMUHTSAY-UHFFFAOYSA-N -1 0 345.336 2.616 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2csc3cnccc23)c1 ZINC001193645071 1293385642 /nfs/dbraw/zinc/38/56/42/1293385642.db2.gz WCDPJKXPEQPSMW-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CC(C)(C)OC(=O)CC1CCN(C(=O)c2cccc(C#N)c2[O-])CC1 ZINC001193646008 1293391051 /nfs/dbraw/zinc/39/10/51/1293391051.db2.gz AAMANCDSVALOLZ-UHFFFAOYSA-N -1 0 344.411 2.848 20 30 EFEDRM COCCCN(C(=O)c1cccc(C#N)c1[O-])c1ccccc1N ZINC001193652310 1293395560 /nfs/dbraw/zinc/39/55/60/1293395560.db2.gz DEMKTYHNXUKACN-UHFFFAOYSA-N -1 0 325.368 2.529 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(-c3cc(CO)on3)cc2)c1[O-] ZINC001193652384 1293395749 /nfs/dbraw/zinc/39/57/49/1293395749.db2.gz GUGKDIOHIGDRIO-UHFFFAOYSA-N -1 0 335.319 2.663 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncccc2C2CC2)c1 ZINC001193653618 1293396843 /nfs/dbraw/zinc/39/68/43/1293396843.db2.gz KAFFMDGXZIHGEL-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)nn2C2CCC2)c1 ZINC001193653920 1293396973 /nfs/dbraw/zinc/39/69/73/1293396973.db2.gz OALVZHFDJVIENT-UHFFFAOYSA-N -1 0 346.412 2.598 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c1 ZINC001193687442 1293410505 /nfs/dbraw/zinc/41/05/05/1293410505.db2.gz CZNIWSINQOECES-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001253210653 1293442734 /nfs/dbraw/zinc/44/27/34/1293442734.db2.gz SKPZIUXWZVJPRT-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131059868 1293473676 /nfs/dbraw/zinc/47/36/76/1293473676.db2.gz HPGDBNGJKLQLNI-ZDUSSCGKSA-N -1 0 335.747 2.629 20 30 EFEDRM CCC[C@@](C)(C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194039796 1293508584 /nfs/dbraw/zinc/50/85/84/1293508584.db2.gz IPZFGKWBLDCRRG-ZDUSSCGKSA-N -1 0 348.783 2.538 20 30 EFEDRM N#Cc1cncc(C(=O)Nc2ccc(F)c(Br)c2[O-])c1 ZINC001194111493 1293519401 /nfs/dbraw/zinc/51/94/01/1293519401.db2.gz DWOCMIJJGODVFZ-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194131136 1293525304 /nfs/dbraw/zinc/52/53/04/1293525304.db2.gz MTJOKMRDXKVXFI-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2noc3ccccc23)cc1F ZINC001194091830 1293528536 /nfs/dbraw/zinc/52/85/36/1293528536.db2.gz JHYSKIKPAWGWIB-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194091226 1293528892 /nfs/dbraw/zinc/52/88/92/1293528892.db2.gz DICKUIUDNUFVNV-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194094612 1293530181 /nfs/dbraw/zinc/53/01/81/1293530181.db2.gz IHQMZKZBGHXSDW-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)c(O)c1 ZINC001194150895 1293536410 /nfs/dbraw/zinc/53/64/10/1293536410.db2.gz QMXRSAQCPCJZMZ-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)n1 ZINC001194217793 1293558762 /nfs/dbraw/zinc/55/87/62/1293558762.db2.gz UYTYAAVEVDIBCY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C#N)c1ccccc1 ZINC001194260282 1293573370 /nfs/dbraw/zinc/57/33/70/1293573370.db2.gz LDLFDIQFZMRFNC-MRXNPFEDSA-N -1 0 332.363 2.881 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(C#N)c1C ZINC001194270066 1293576198 /nfs/dbraw/zinc/57/61/98/1293576198.db2.gz XZVPWTWLPLFCPF-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194458437 1293629798 /nfs/dbraw/zinc/62/97/98/1293629798.db2.gz IFYWPSLRILIYDA-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(F)c1 ZINC001194561756 1293669115 /nfs/dbraw/zinc/66/91/15/1293669115.db2.gz IQOHBLRJMVMSDW-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2c(C)cccc2C)cc1OC ZINC001194633654 1293680712 /nfs/dbraw/zinc/68/07/12/1293680712.db2.gz CWDGPECZDYUJAS-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(O)cccc2C#N)c(C)c1C ZINC001194863327 1293731807 /nfs/dbraw/zinc/73/18/07/1293731807.db2.gz DVENDFWSTFEULU-UHFFFAOYSA-N -1 0 346.408 2.999 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194980375 1293766190 /nfs/dbraw/zinc/76/61/90/1293766190.db2.gz CFGFFJMTRPAXQH-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nccnc32)cc1C#N ZINC001194987999 1293768740 /nfs/dbraw/zinc/76/87/40/1293768740.db2.gz NGNKEDGXRKKTDM-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(Cl)c(Cl)s1 ZINC001195179501 1293825382 /nfs/dbraw/zinc/82/53/82/1293825382.db2.gz LRHCAMVKFFUCIF-UHFFFAOYSA-N -1 0 345.167 2.990 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255532 1293863860 /nfs/dbraw/zinc/86/38/60/1293863860.db2.gz YFPADVCMZXSVTC-UHFFFAOYSA-N -1 0 335.372 2.912 20 30 EFEDRM Cc1cc(C)c(NC(=O)c2cc(C)cc(C#N)c2)c(S(=O)(=O)[O-])c1 ZINC001195419526 1293927437 /nfs/dbraw/zinc/92/74/37/1293927437.db2.gz JWBRUZLVHXNORE-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(C#N)cc2[O-])n(C(=O)OC(C)(C)C)n1 ZINC001195733241 1294004715 /nfs/dbraw/zinc/00/47/15/1294004715.db2.gz GATSHCICFVKWNU-UHFFFAOYSA-N -1 0 342.355 2.804 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nccnc2OCc2ccccc2)c([O-])c1 ZINC001195733578 1294004753 /nfs/dbraw/zinc/00/47/53/1294004753.db2.gz RMAFGCOOWSWWSR-UHFFFAOYSA-N -1 0 346.346 2.885 20 30 EFEDRM CCCC[C@](CC)(NC(=O)c1ccc(C#N)cc1[O-])C(=O)OCC ZINC001195764766 1294018126 /nfs/dbraw/zinc/01/81/26/1294018126.db2.gz PCBYPDNCNCVTGT-SFHVURJKSA-N -1 0 332.400 2.896 20 30 EFEDRM CSc1ccc(OCCNC(=O)c2ccc(C#N)cc2[O-])cc1 ZINC001195764773 1294018419 /nfs/dbraw/zinc/01/84/19/1294018419.db2.gz PGTUBDQCEASHFM-UHFFFAOYSA-N -1 0 328.393 2.795 20 30 EFEDRM COc1cccc2c1SC[C@H](NC(=O)c1ccc(C#N)cc1[O-])C2 ZINC001195768238 1294019078 /nfs/dbraw/zinc/01/90/78/1294019078.db2.gz KLOIIFLTHWOVEB-CYBMUJFWSA-N -1 0 340.404 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnn2)c([O-])c1 ZINC001195768664 1294019502 /nfs/dbraw/zinc/01/95/02/1294019502.db2.gz OXXOCGJURNCNFR-SFHVURJKSA-N -1 0 330.347 2.573 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)c([O-])c1 ZINC001195750728 1294029707 /nfs/dbraw/zinc/02/97/07/1294029707.db2.gz KAKYXRZBOYOPPD-ZDUSSCGKSA-N -1 0 336.273 2.761 20 30 EFEDRM COC(=O)c1ccccc1NC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001202683855 1294033173 /nfs/dbraw/zinc/03/31/73/1294033173.db2.gz RLOBGSXBCSPRRW-UHFFFAOYSA-N -1 0 329.287 2.834 20 30 EFEDRM CCOC(=O)CS(=O)(=O)[N-]c1ccccc1-c1ccc(C#N)cc1 ZINC001195984487 1294094090 /nfs/dbraw/zinc/09/40/90/1294094090.db2.gz POIPYQUCNMCXIC-UHFFFAOYSA-N -1 0 344.392 2.530 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OC(F)(F)F)nc2)c([O-])cc1F ZINC001196039492 1294119086 /nfs/dbraw/zinc/11/90/86/1294119086.db2.gz HDUBSTGTHANUMM-UHFFFAOYSA-N -1 0 341.220 2.949 20 30 EFEDRM CC(C)(C#N)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196100162 1294133168 /nfs/dbraw/zinc/13/31/68/1294133168.db2.gz JKRLFPPAFUVMHI-UHFFFAOYSA-N -1 0 344.392 2.632 20 30 EFEDRM CC[C@@H](NN=C(CC1CN(C(=O)OC(C)(C)C)C1)C(C)C)C(=O)[O-] ZINC000884471463 1294148508 /nfs/dbraw/zinc/14/85/08/1294148508.db2.gz XHPRWYMJHCSSNG-CYBMUJFWSA-N -1 0 341.452 2.708 20 30 EFEDRM CC[C@H](NN=C(CC1CN(C(=O)OC(C)(C)C)C1)C(C)C)C(=O)[O-] ZINC000884471464 1294148832 /nfs/dbraw/zinc/14/88/32/1294148832.db2.gz XHPRWYMJHCSSNG-ZDUSSCGKSA-N -1 0 341.452 2.708 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1C#N ZINC001196205594 1294162338 /nfs/dbraw/zinc/16/23/38/1294162338.db2.gz XYHAZQIZBKMTAN-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc(Cl)cn1)CCC2 ZINC001196203682 1294162401 /nfs/dbraw/zinc/16/24/01/1294162401.db2.gz LWMYVYYRTWGQEB-UHFFFAOYSA-N -1 0 339.829 2.958 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)ccc1F ZINC001196250702 1294171545 /nfs/dbraw/zinc/17/15/45/1294171545.db2.gz OLJDDNXXILWIHO-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(C#N)c1 ZINC001196246325 1294183544 /nfs/dbraw/zinc/18/35/44/1294183544.db2.gz OKNKADCMQYXJLD-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(F)c1F ZINC001196246070 1294183787 /nfs/dbraw/zinc/18/37/87/1294183787.db2.gz WKNJKRIWALUMLR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1C#N ZINC001196383498 1294219011 /nfs/dbraw/zinc/21/90/11/1294219011.db2.gz SUNODCFWOZUQKT-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196417467 1294240313 /nfs/dbraw/zinc/24/03/13/1294240313.db2.gz ZAISCVGGESLQKQ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#CC1(NC(=O)c2cc(Cl)c(F)cc2[O-])Cc2ccccc2C1 ZINC001196483349 1294254018 /nfs/dbraw/zinc/25/40/18/1294254018.db2.gz FWPXWGLDOGYUOF-UHFFFAOYSA-N -1 0 330.746 2.976 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C)n1 ZINC001196643786 1294302773 /nfs/dbraw/zinc/30/27/73/1294302773.db2.gz VTWWSKLXQSHRKS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cn1ncc2c1cccc2[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196679845 1294314090 /nfs/dbraw/zinc/31/40/90/1294314090.db2.gz OHGUNTYGCQHQPP-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001196679817 1294314129 /nfs/dbraw/zinc/31/41/29/1294314129.db2.gz NIEYWNJQLSBMHR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2nccnc12 ZINC001196680541 1294315553 /nfs/dbraw/zinc/31/55/53/1294315553.db2.gz PURJINOGSCUHPE-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1C ZINC001196647482 1294316880 /nfs/dbraw/zinc/31/68/80/1294316880.db2.gz CTEDUUJFDWMEDW-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccn1 ZINC001196647495 1294316969 /nfs/dbraw/zinc/31/69/69/1294316969.db2.gz DRCPLXHWRQTNAF-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1F ZINC001196650616 1294319401 /nfs/dbraw/zinc/31/94/01/1294319401.db2.gz SFXBSBYTDYIZMX-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ncc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650522 1294319583 /nfs/dbraw/zinc/31/95/83/1294319583.db2.gz NRGJSPRJDMRQDN-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cnc1C ZINC001196651595 1294320088 /nfs/dbraw/zinc/32/00/88/1294320088.db2.gz GLETYSOSKXCWIN-UHFFFAOYSA-N -1 0 349.799 2.919 20 30 EFEDRM C#CC(C#C)Oc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1[O-] ZINC001234141778 1313066615 /nfs/dbraw/zinc/06/66/15/1313066615.db2.gz MNHOZDZLUMVZIF-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000102596219 1294325149 /nfs/dbraw/zinc/32/51/49/1294325149.db2.gz SAEFXGFLDDVHGO-MRXNPFEDSA-N -1 0 336.395 2.562 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(N3CCCC3)n2)c([O-])cc1F ZINC001196668544 1294327503 /nfs/dbraw/zinc/32/75/03/1294327503.db2.gz CWWAFMFAWSAPST-UHFFFAOYSA-N -1 0 326.331 2.650 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1C(=O)OC2 ZINC001196690025 1294346210 /nfs/dbraw/zinc/34/62/10/1294346210.db2.gz IEDKHITTXMFZTH-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](O)CC2 ZINC001196690645 1294346651 /nfs/dbraw/zinc/34/66/51/1294346651.db2.gz QVMZXDLUBUYALC-OAHLLOKOSA-N -1 0 348.811 2.992 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001196690376 1294347406 /nfs/dbraw/zinc/34/74/06/1294347406.db2.gz NOSFLADISMFOEP-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2F)cc1 ZINC001196763067 1294350817 /nfs/dbraw/zinc/35/08/17/1294350817.db2.gz MXPLVYMMRPYMSW-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cnc2C#N)c(C)c1 ZINC001196848484 1294383128 /nfs/dbraw/zinc/38/31/28/1294383128.db2.gz LXDXEEYKCFFKKZ-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COC(=O)CCCCS(=O)(=O)[N-]c1c(C#N)ccc2ccccc21 ZINC001196947452 1294419610 /nfs/dbraw/zinc/41/96/10/1294419610.db2.gz VGQQWSYVQQJEBF-UHFFFAOYSA-N -1 0 346.408 2.796 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1oc(C)c(C)c1C#N ZINC001196999698 1294433378 /nfs/dbraw/zinc/43/33/78/1294433378.db2.gz CTJZPQKPWDAXMM-UHFFFAOYSA-N -1 0 348.380 2.664 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000136030517 1294463623 /nfs/dbraw/zinc/46/36/23/1294463623.db2.gz ONVUROZXSBBQGU-OAHLLOKOSA-N -1 0 340.404 2.723 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Br ZINC001197271146 1294493653 /nfs/dbraw/zinc/49/36/53/1294493653.db2.gz HZVUJMISDFVVEV-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC001197382370 1294522593 /nfs/dbraw/zinc/52/25/93/1294522593.db2.gz BEGIPLSBYJPBLY-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM N#CC1(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC001251436743 1294599424 /nfs/dbraw/zinc/59/94/24/1294599424.db2.gz NJHDZSNYKFKPCK-UHFFFAOYSA-N -1 0 335.212 2.814 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197602841 1294635380 /nfs/dbraw/zinc/63/53/80/1294635380.db2.gz HSMHZUYCRWGSPE-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(C#N)c1 ZINC001197608224 1294639618 /nfs/dbraw/zinc/63/96/18/1294639618.db2.gz PTXHDLWQSXDOEC-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM C=C(Br)CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000137163860 1294709420 /nfs/dbraw/zinc/70/94/20/1294709420.db2.gz SISRVBBZOYXYKA-VIFPVBQESA-N -1 0 344.230 2.890 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1NS(=O)(=O)Cc1ccccn1 ZINC001197781804 1294713083 /nfs/dbraw/zinc/71/30/83/1294713083.db2.gz AQBFHQFKUPZSBS-UHFFFAOYSA-N -1 0 345.500 2.647 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)cn1 ZINC001198314471 1294983798 /nfs/dbraw/zinc/98/37/98/1294983798.db2.gz AVXSPHICZGWCNK-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccnc(N2CCC(Oc3nc4c(cccc4O)[nH]3)CC2)c1 ZINC001234446804 1313130803 /nfs/dbraw/zinc/13/08/03/1313130803.db2.gz IXKZAAIDUNGLOE-UHFFFAOYSA-N -1 0 335.367 2.583 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3c(cccc3O)[nH]2)C[C@H]1C#N ZINC001234445697 1313130885 /nfs/dbraw/zinc/13/08/85/1313130885.db2.gz BHYQTHUMIWATNK-WDEREUQCSA-N -1 0 344.371 2.549 20 30 EFEDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234512057 1313142314 /nfs/dbraw/zinc/14/23/14/1313142314.db2.gz ZOSNOSRWZBTVEC-JTQLQIEISA-N -1 0 329.356 2.706 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887302706 1295343569 /nfs/dbraw/zinc/34/35/69/1295343569.db2.gz ASAMYRSFHXPPAI-XDNAFOTISA-N -1 0 325.408 2.767 20 30 EFEDRM CC(C)[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(=O)OC(C)(C)C ZINC001234531347 1313149046 /nfs/dbraw/zinc/14/90/46/1313149046.db2.gz ZANGRKKFEKSGMD-AWEZNQCLSA-N -1 0 343.383 2.952 20 30 EFEDRM C=C(C)CN1C[C@@]2(F)CN(Cc3ccc([S-])cc3)C[C@@]2(F)C1=O ZINC001274112784 1295465022 /nfs/dbraw/zinc/46/50/22/1295465022.db2.gz OECNNKZKLLMMKI-DLBZAZTESA-N -1 0 338.423 2.626 20 30 EFEDRM N#Cc1ccc(Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)c(Cl)c1 ZINC001412927636 1295829309 /nfs/dbraw/zinc/82/93/09/1295829309.db2.gz BZCIEDLNWNKQKY-UHFFFAOYSA-N -1 0 330.558 2.829 20 30 EFEDRM C#CC(C#C)Oc1cc([O-])cc2oc(-c3c(O)cccc3O)cc(=O)c12 ZINC001234726281 1313185992 /nfs/dbraw/zinc/18/59/92/1313185992.db2.gz VVXBQSGQDGFYQU-UHFFFAOYSA-N -1 0 348.310 2.591 20 30 EFEDRM C=CCOCC(COCC=C)Oc1cc([O-])cc2oc(C)cc(=O)c12 ZINC001234812767 1313193442 /nfs/dbraw/zinc/19/34/42/1313193442.db2.gz CWHZTBSQJZFHST-UHFFFAOYSA-N -1 0 346.379 2.960 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)nc1C ZINC000777292629 1295991498 /nfs/dbraw/zinc/99/14/98/1295991498.db2.gz IYQFOQUDAXYRPW-SFHVURJKSA-N -1 0 349.390 2.540 20 30 EFEDRM C=C[C@H](CCC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894261 1313204481 /nfs/dbraw/zinc/20/44/81/1313204481.db2.gz KDLNSSJUKZPKBT-LLVKDONJSA-N -1 0 329.356 2.764 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000776067257 1296090980 /nfs/dbraw/zinc/09/09/80/1296090980.db2.gz ORDIFVYTEFVEGN-QINSGFPZSA-N -1 0 337.441 2.866 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1c(Cl)cccc1Cl ZINC000776122599 1296490086 /nfs/dbraw/zinc/49/00/86/1296490086.db2.gz SGRUBGXPFVQTQD-SECBINFHSA-N -1 0 349.239 2.847 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)o1 ZINC000105755777 1296504283 /nfs/dbraw/zinc/50/42/83/1296504283.db2.gz PUOZQDCAIQDOTO-VIFPVBQESA-N -1 0 327.178 2.671 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2ccc(F)cc2s1 ZINC000776135096 1296560562 /nfs/dbraw/zinc/56/05/62/1296560562.db2.gz AVPJCBZOFZHNLE-UHFFFAOYSA-N -1 0 340.401 2.650 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC000776138385 1296593010 /nfs/dbraw/zinc/59/30/10/1296593010.db2.gz MPUUGRRFWOVOJQ-UHFFFAOYSA-N -1 0 340.401 2.650 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000776138212 1296594320 /nfs/dbraw/zinc/59/43/20/1296594320.db2.gz KHOSWZAFPFVBLB-UHFFFAOYSA-N -1 0 344.436 2.768 20 30 EFEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC(C)(C)C1 ZINC000776142676 1296646357 /nfs/dbraw/zinc/64/63/57/1296646357.db2.gz IIUMLQDTLNUZPR-QWHCGFSZSA-N -1 0 328.478 2.835 20 30 EFEDRM C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143222 1296651539 /nfs/dbraw/zinc/65/15/39/1296651539.db2.gz USRYNWVTJCGUJQ-AWEZNQCLSA-N -1 0 336.457 2.641 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c(C#N)n1 ZINC001201252327 1296659792 /nfs/dbraw/zinc/65/97/92/1296659792.db2.gz UVJGUAIGLFEZSX-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)cc1C#N ZINC001201287417 1296682361 /nfs/dbraw/zinc/68/23/61/1296682361.db2.gz JPYMOODZYFOBKZ-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n(C(C)(C)C)n1 ZINC001201293410 1296682674 /nfs/dbraw/zinc/68/26/74/1296682674.db2.gz WWQDGOXSAHWDOP-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201277763 1296705748 /nfs/dbraw/zinc/70/57/48/1296705748.db2.gz MVXYJLJYOAFOEF-UTCJRWHESA-N -1 0 326.176 2.904 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cnc1Cl ZINC001201295406 1296707985 /nfs/dbraw/zinc/70/79/85/1296707985.db2.gz QQQGSDWLSOTHKG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1c(F)cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201320222 1296725450 /nfs/dbraw/zinc/72/54/50/1296725450.db2.gz RWINBHKNDHAXGA-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)cc1C#N ZINC001201322084 1296727609 /nfs/dbraw/zinc/72/76/09/1296727609.db2.gz CDLYUXGXKRNPNU-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccsc2C(=O)[O-])nc1 ZINC001205542840 1313308768 /nfs/dbraw/zinc/30/87/68/1313308768.db2.gz VIVPBUNRJUWXQO-SDXDJHTJSA-N -1 0 344.421 2.894 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn(C)c2C#N)c(C)c1C ZINC001201792366 1297079360 /nfs/dbraw/zinc/07/93/60/1297079360.db2.gz DXHIPJICQBCOBJ-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncn(C)c2C#N)c(C)c1C ZINC001201792355 1297080646 /nfs/dbraw/zinc/08/06/46/1297080646.db2.gz DBYVQAJVWCZACS-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc(C#N)cn2)c(C)c1C ZINC001201789628 1297104160 /nfs/dbraw/zinc/10/41/60/1297104160.db2.gz JAXMKVUPAYLLNO-UHFFFAOYSA-N -1 0 330.413 2.691 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc2ccccc2c1 ZINC001205767443 1313352858 /nfs/dbraw/zinc/35/28/58/1313352858.db2.gz HOHOJYNMLQGXTL-KRWDZBQOSA-N -1 0 336.409 2.815 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)NC(=O)CO2 ZINC000035387907 1297217534 /nfs/dbraw/zinc/21/75/34/1297217534.db2.gz WVEDPRQGOKUEFX-DAFODLJHSA-N -1 0 340.291 2.527 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000042303722 1297698183 /nfs/dbraw/zinc/69/81/83/1297698183.db2.gz WQOQNXCVVOTXFT-UHFFFAOYSA-N -1 0 339.376 2.743 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257672544 1297716056 /nfs/dbraw/zinc/71/60/56/1297716056.db2.gz RLNQGAJZVMIVFH-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2csc(C(=O)[O-])c2)nc1 ZINC001206257116 1313427623 /nfs/dbraw/zinc/42/76/23/1313427623.db2.gz RACWRSBQMPNCEZ-SDXDJHTJSA-N -1 0 344.421 2.894 20 30 EFEDRM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]S(C)(=O)=O ZINC000048478860 1297757745 /nfs/dbraw/zinc/75/77/45/1297757745.db2.gz YZYSQFIVLIXBFS-UHFFFAOYSA-N -1 0 332.740 2.707 20 30 EFEDRM C[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000160023821 1297776385 /nfs/dbraw/zinc/77/63/85/1297776385.db2.gz GFMBQTSODUVVJA-CQSZACIVSA-N -1 0 342.420 2.947 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1ccc(C(=O)[O-])cc1 ZINC001236057171 1313435325 /nfs/dbraw/zinc/43/53/25/1313435325.db2.gz SSVJEMSQQIAJJC-UHFFFAOYSA-N -1 0 332.319 2.847 20 30 EFEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779312675 1298195598 /nfs/dbraw/zinc/19/55/98/1298195598.db2.gz DSQCRUWWGZLGPU-UHFFFAOYSA-N -1 0 334.441 2.954 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCC1 ZINC000192247243 1298337546 /nfs/dbraw/zinc/33/75/46/1298337546.db2.gz SILVPHCGCIRKER-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193351267 1298430295 /nfs/dbraw/zinc/43/02/95/1298430295.db2.gz BVCYJFXJVBSQIL-CYBMUJFWSA-N -1 0 348.399 2.906 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)C(=O)CCC2 ZINC000193382320 1298432482 /nfs/dbraw/zinc/43/24/82/1298432482.db2.gz HHSSATURXZRLRZ-LBPRGKRZSA-N -1 0 330.384 2.736 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(C)=O)c1 ZINC000193380191 1298432529 /nfs/dbraw/zinc/43/25/29/1298432529.db2.gz PYGBHJPHBVPPNK-HNNXBMFYSA-N -1 0 329.400 2.582 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CC)c1 ZINC000193380334 1298433336 /nfs/dbraw/zinc/43/33/36/1298433336.db2.gz AWONAROBWJOOHT-HNNXBMFYSA-N -1 0 329.400 2.664 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000194484361 1298550668 /nfs/dbraw/zinc/55/06/68/1298550668.db2.gz GXXVFVPOVKRISA-OAHLLOKOSA-N -1 0 342.374 2.640 20 30 EFEDRM COCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000083769229 1298700423 /nfs/dbraw/zinc/70/04/23/1298700423.db2.gz PZBIGIJXYHQZAN-UHFFFAOYSA-N -1 0 348.424 2.701 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000779844893 1298951449 /nfs/dbraw/zinc/95/14/49/1298951449.db2.gz LPRWUCYRGSJTMF-LLVKDONJSA-N -1 0 342.380 2.655 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c[nH]1 ZINC000779848275 1298962459 /nfs/dbraw/zinc/96/24/59/1298962459.db2.gz LOBBBCHKGGFKIH-NSHDSACASA-N -1 0 334.401 2.625 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000779847870 1298966710 /nfs/dbraw/zinc/96/67/10/1298966710.db2.gz GXJDPDKTCQMMRC-ZDUSSCGKSA-N -1 0 346.408 2.925 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000254289055 1299039994 /nfs/dbraw/zinc/03/99/94/1299039994.db2.gz DEGJTLKSRJXTQL-UHFFFAOYSA-N -1 0 341.352 2.730 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000086067845 1299260717 /nfs/dbraw/zinc/26/07/17/1299260717.db2.gz XJTBMTDGFOSEMA-JTQLQIEISA-N -1 0 333.356 2.900 20 30 EFEDRM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1F)C(F)(F)F ZINC001252347303 1299293677 /nfs/dbraw/zinc/29/36/77/1299293677.db2.gz RYHRYCLRURREON-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccc1Br ZINC001252353157 1299310229 /nfs/dbraw/zinc/31/02/29/1299310229.db2.gz PGRRMCXTPJOUGU-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM CCN(CC)c1ccnc(N=NCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000853317851 1300083830 /nfs/dbraw/zinc/08/38/30/1300083830.db2.gz GUKQCOXFCXLSQU-UHFFFAOYSA-N -1 0 331.351 2.606 20 30 EFEDRM COCC(CC1CCOCC1)N=Nc1ccc(C(=O)[O-])cc1OC ZINC000853324636 1300084914 /nfs/dbraw/zinc/08/49/14/1300084914.db2.gz BAKZXCHHVZCZGA-UHFFFAOYSA-N -1 0 336.388 2.624 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000254744293 1300341229 /nfs/dbraw/zinc/34/12/29/1300341229.db2.gz PFCXHQPYLLAGKP-JTQLQIEISA-N -1 0 348.255 2.676 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2F)cc1 ZINC000088800162 1300632430 /nfs/dbraw/zinc/63/24/30/1300632430.db2.gz AZMPGBHOBQUPMD-UHFFFAOYSA-N -1 0 336.319 2.724 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC)ccc2F)c1 ZINC000795289395 1300635124 /nfs/dbraw/zinc/63/51/24/1300635124.db2.gz GRKLXARQUSFYMF-UHFFFAOYSA-N -1 0 347.367 2.785 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)o1 ZINC000112484066 1300656062 /nfs/dbraw/zinc/65/60/62/1300656062.db2.gz ROQGRLRQSRZSPI-JTQLQIEISA-N -1 0 330.365 2.971 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC000855026817 1300768555 /nfs/dbraw/zinc/76/85/55/1300768555.db2.gz PVVVTEMSOGYNHP-NSHDSACASA-N -1 0 338.408 2.588 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000245906465 1300815632 /nfs/dbraw/zinc/81/56/32/1300815632.db2.gz BIYOSLWJBULUTP-KKVAFCGZSA-N -1 0 333.391 2.606 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000089963576 1300961270 /nfs/dbraw/zinc/96/12/70/1300961270.db2.gz IIWHWEOJGTYFFS-CQSZACIVSA-N -1 0 344.436 2.779 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccsc1)c1cnc([C@@H]2CCCO2)s1 ZINC000089984068 1300963581 /nfs/dbraw/zinc/96/35/81/1300963581.db2.gz YADQGCAJERKDCL-VIFPVBQESA-N -1 0 344.439 2.750 20 30 EFEDRM C=CCC1(NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCCC1 ZINC000855927136 1301177067 /nfs/dbraw/zinc/17/70/67/1301177067.db2.gz CYZJTARUPSIHQX-UHFFFAOYSA-N -1 0 343.452 2.690 20 30 EFEDRM C=CCCO[N-]C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC000856027846 1301209097 /nfs/dbraw/zinc/20/90/97/1301209097.db2.gz CNSBEJHKXZNMHM-UHFFFAOYSA-N -1 0 338.408 2.589 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000856028954 1301210365 /nfs/dbraw/zinc/21/03/65/1301210365.db2.gz TVGCRASUORARKA-UHFFFAOYSA-N -1 0 346.456 2.909 20 30 EFEDRM C=CCCO[N-]C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000856029693 1301210492 /nfs/dbraw/zinc/21/04/92/1301210492.db2.gz ZQETUDIZMCCIGQ-UHFFFAOYSA-N -1 0 348.424 2.994 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@]1(C)CC1(Br)Br ZINC000856028627 1301210931 /nfs/dbraw/zinc/21/09/31/1301210931.db2.gz YWZZQTHCYARIBS-MRVPVSSYSA-N -1 0 327.016 2.506 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(C)cc1 ZINC000856029471 1301211171 /nfs/dbraw/zinc/21/11/71/1301211171.db2.gz PEOJARWFVCFJTD-QGZVFWFLSA-N -1 0 347.459 2.833 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000856033053 1301211972 /nfs/dbraw/zinc/21/19/72/1301211972.db2.gz YWZADSBRGZWYHW-KGLIPLIRSA-N -1 0 336.388 2.874 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000856032677 1301212266 /nfs/dbraw/zinc/21/22/66/1301212266.db2.gz SDWRHJAFDGETTM-OAHLLOKOSA-N -1 0 334.416 2.919 20 30 EFEDRM C=CCCO[N-]C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000856032605 1301212326 /nfs/dbraw/zinc/21/23/26/1301212326.db2.gz NTWQJIXFHGEXKL-UHFFFAOYSA-N -1 0 330.306 2.578 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000856034693 1301212431 /nfs/dbraw/zinc/21/24/31/1301212431.db2.gz JXADVUAGORZKBI-LLVKDONJSA-N -1 0 334.363 2.503 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2scnc2C)n1 ZINC000777098264 1301411592 /nfs/dbraw/zinc/41/15/92/1301411592.db2.gz DMQYWYIOSRQQPI-UFFNRZRYSA-N -1 0 347.421 2.649 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117083062 1301658133 /nfs/dbraw/zinc/65/81/33/1301658133.db2.gz UEXFRFSNEFTJBM-QGZVFWFLSA-N -1 0 336.395 2.644 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2csnn2)cc1 ZINC000860464064 1301815337 /nfs/dbraw/zinc/81/53/37/1301815337.db2.gz NILNNERHJDJYNF-CQSZACIVSA-N -1 0 342.424 2.834 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000860592184 1301853701 /nfs/dbraw/zinc/85/37/01/1301853701.db2.gz MMXSYPGAJWESSS-UHFFFAOYSA-N -1 0 328.821 2.616 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1)c1ccccc1 ZINC000860693061 1301887621 /nfs/dbraw/zinc/88/76/21/1301887621.db2.gz CLLSYITVMQQGQM-IAGOWNOFSA-N -1 0 336.395 2.808 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(Cl)c(F)c2)CC1 ZINC000860772163 1301915617 /nfs/dbraw/zinc/91/56/17/1301915617.db2.gz QUAOZIOYFYVKGP-UHFFFAOYSA-N -1 0 345.823 2.966 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CCCCCC2)c(F)c1 ZINC000861013487 1301990645 /nfs/dbraw/zinc/99/06/45/1301990645.db2.gz ISIUXNPRCGSWIB-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CC(C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861015194 1301990737 /nfs/dbraw/zinc/99/07/37/1301990737.db2.gz GEOOGWHRBLCQOO-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861015846 1301991060 /nfs/dbraw/zinc/99/10/60/1301991060.db2.gz OTFRZTQONFNVNP-CYBMUJFWSA-N -1 0 340.420 2.716 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)C ZINC000861013626 1301991190 /nfs/dbraw/zinc/99/11/90/1301991190.db2.gz NXIKWZGKUJZNAR-CYBMUJFWSA-N -1 0 340.420 2.716 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCC(F)(F)C(F)(F)F)c1)C(=O)[O-] ZINC000863180078 1302549077 /nfs/dbraw/zinc/54/90/77/1302549077.db2.gz YFSSSZHUXRXJBX-MRVPVSSYSA-N -1 0 340.248 2.660 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000863429107 1302610651 /nfs/dbraw/zinc/61/06/51/1302610651.db2.gz MORGEQKKOHOHBA-UHFFFAOYSA-N -1 0 335.447 2.704 20 30 EFEDRM N#Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)[n-]c1C#N ZINC000864048498 1302761304 /nfs/dbraw/zinc/76/13/04/1302761304.db2.gz OMAPUEFTPBSTQE-UHFFFAOYSA-N -1 0 327.347 2.924 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794589098 1302771820 /nfs/dbraw/zinc/77/18/20/1302771820.db2.gz JAJJDSHKWCQZTL-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000119912370 1302810653 /nfs/dbraw/zinc/81/06/53/1302810653.db2.gz MGCMQTKHIIPXIA-GFCCVEGCSA-N -1 0 328.265 2.789 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794596956 1302831492 /nfs/dbraw/zinc/83/14/92/1302831492.db2.gz RFXOYOZGZPFDFR-UHFFFAOYSA-N -1 0 326.377 2.565 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1CC ZINC000864447481 1302940588 /nfs/dbraw/zinc/94/05/88/1302940588.db2.gz GQRHBMBRARIXDM-OAHLLOKOSA-N -1 0 325.430 2.650 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cscn2)cc1 ZINC000091127428 1303030020 /nfs/dbraw/zinc/03/00/20/1303030020.db2.gz KZDGWAYVLMUXLL-UHFFFAOYSA-N -1 0 326.399 2.624 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864904990 1303076615 /nfs/dbraw/zinc/07/66/15/1303076615.db2.gz TUGHTSNRHKWFOZ-MRVPVSSYSA-N -1 0 329.169 2.916 20 30 EFEDRM CCCn1cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)nn1 ZINC000865215877 1303190404 /nfs/dbraw/zinc/19/04/04/1303190404.db2.gz ZXGSXONCWNSHEU-JXMROGBWSA-N -1 0 343.383 2.828 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccn2)n1 ZINC000120720833 1303392212 /nfs/dbraw/zinc/39/22/12/1303392212.db2.gz IZWBMECUNRCONP-LLVKDONJSA-N -1 0 349.375 2.561 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411268 1313912806 /nfs/dbraw/zinc/91/28/06/1313912806.db2.gz YMAOTGJFAIRVRG-ZDUSSCGKSA-N -1 0 345.399 2.992 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(C(=O)[O-])cc1F ZINC001239245997 1313919348 /nfs/dbraw/zinc/91/93/48/1313919348.db2.gz YYICTTMIPSJHNK-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)c(C)c1OC ZINC000794901730 1303547494 /nfs/dbraw/zinc/54/74/94/1303547494.db2.gz NXVLEYIHTKQCOW-UHFFFAOYSA-N -1 0 326.360 2.515 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccc(C(=O)[O-])cc1F ZINC001239266512 1313921012 /nfs/dbraw/zinc/92/10/12/1313921012.db2.gz JKEULMXVIPBIQS-UHFFFAOYSA-N -1 0 338.356 2.976 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1 ZINC001239346471 1313927413 /nfs/dbraw/zinc/92/74/13/1313927413.db2.gz RJTWMWPBRZBOFS-UHFFFAOYSA-N -1 0 332.262 2.773 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000121754462 1303896156 /nfs/dbraw/zinc/89/61/56/1303896156.db2.gz QXUBLBUTEQBEOA-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1-c1ccccc1 ZINC000121986050 1304091856 /nfs/dbraw/zinc/09/18/56/1304091856.db2.gz MELQTYREWYMZIX-HNNXBMFYSA-N -1 0 336.395 2.597 20 30 EFEDRM C#CC1CCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000869083797 1304605926 /nfs/dbraw/zinc/60/59/26/1304605926.db2.gz RAMVVAPTUWRYRJ-UHFFFAOYSA-N -1 0 326.165 2.779 20 30 EFEDRM CC(C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000122404983 1304606998 /nfs/dbraw/zinc/60/69/98/1304606998.db2.gz UCJGJZLTCRGGJP-CYBMUJFWSA-N -1 0 327.409 2.905 20 30 EFEDRM COc1cccc([C@@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122506881 1304692512 /nfs/dbraw/zinc/69/25/12/1304692512.db2.gz ISVULZIUNOQYEU-SWLSCSKDSA-N -1 0 325.368 2.514 20 30 EFEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2)cc1 ZINC000122609998 1304812158 /nfs/dbraw/zinc/81/21/58/1304812158.db2.gz NCLUJKYYXKKVBN-KRWDZBQOSA-N -1 0 344.374 2.996 20 30 EFEDRM COc1ccc(S[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122801893 1305013698 /nfs/dbraw/zinc/01/36/98/1305013698.db2.gz XROLTTILXQBWQF-FZMZJTMJSA-N -1 0 343.408 2.501 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122882012 1305086283 /nfs/dbraw/zinc/08/62/83/1305086283.db2.gz BMVTZYGNHQYYET-JTQLQIEISA-N -1 0 340.364 2.650 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\CCc2ccccc2)CCCC1 ZINC000870273601 1305235887 /nfs/dbraw/zinc/23/58/87/1305235887.db2.gz TZZNBPDCHRLDAO-WZUFQYTHSA-N -1 0 346.452 2.705 20 30 EFEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)s1 ZINC000870288710 1305242880 /nfs/dbraw/zinc/24/28/80/1305242880.db2.gz WKGYPXAOFHYIJR-UHFFFAOYSA-N -1 0 340.470 2.899 20 30 EFEDRM C/C(=C\C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000870296662 1305247404 /nfs/dbraw/zinc/24/74/04/1305247404.db2.gz DAWGSWYLDUPYLW-GXDHUFHOSA-N -1 0 338.473 2.899 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(CC)c1C)c1ccccc1 ZINC000870310403 1305255652 /nfs/dbraw/zinc/25/56/52/1305255652.db2.gz WZEGOXHZRGYHRI-RDJZCZTQSA-N -1 0 338.411 2.801 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000870369581 1305287912 /nfs/dbraw/zinc/28/79/12/1305287912.db2.gz MNCWLXSPMKDURA-WDEREUQCSA-N -1 0 339.379 2.910 20 30 EFEDRM CCSCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123173554 1305380289 /nfs/dbraw/zinc/38/02/89/1305380289.db2.gz YYYSEJMVOUGJHZ-CQSZACIVSA-N -1 0 327.409 2.879 20 30 EFEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000123283360 1305547909 /nfs/dbraw/zinc/54/79/09/1305547909.db2.gz PCADQORBBVUSKS-HNNXBMFYSA-N -1 0 325.368 2.660 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(C(=O)[O-])cc2OC)c(C#N)c1 ZINC001240734591 1314063947 /nfs/dbraw/zinc/06/39/47/1314063947.db2.gz CQMCDFPPKRNEED-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM CSc1ccc(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123373731 1305656357 /nfs/dbraw/zinc/65/63/57/1305656357.db2.gz ONUDIRAKAGQGSX-SMDDNHRTSA-N -1 0 343.408 2.501 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000796610317 1306750624 /nfs/dbraw/zinc/75/06/24/1306750624.db2.gz HJFYJXQGBYSGDQ-UHFFFAOYSA-N -1 0 334.422 2.668 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000796608155 1306760267 /nfs/dbraw/zinc/76/02/67/1306760267.db2.gz HPTSGAWNBJWDIL-UHFFFAOYSA-N -1 0 348.449 2.976 20 30 EFEDRM O=S(=O)(NCCCCCCS)c1ccc(F)c(F)c1F ZINC001259083201 1316206311 /nfs/dbraw/zinc/20/63/11/1316206311.db2.gz GMIPRUXLHWJAFF-UHFFFAOYSA-N -1 0 327.393 2.872 20 30 EFEDRM N#CCc1ccc(OCc2ccc(-c3cnn(CC(=O)[O-])c3)nc2)cc1 ZINC001242183263 1314189895 /nfs/dbraw/zinc/18/98/95/1314189895.db2.gz JETPVSOUDAUZCK-UHFFFAOYSA-N -1 0 348.362 2.675 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1 ZINC001242209843 1314192342 /nfs/dbraw/zinc/19/23/42/1314192342.db2.gz ZRMRPOMVFDGQHX-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1cnc(C#N)c(C)c1 ZINC001242357882 1314201109 /nfs/dbraw/zinc/20/11/09/1314201109.db2.gz SGENOILSVUCYCT-UHFFFAOYSA-N -1 0 341.396 2.767 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cccc(C(=O)[O-])c1F ZINC001242378273 1314201850 /nfs/dbraw/zinc/20/18/50/1314201850.db2.gz PFYWNBOGQYYFTO-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1-c1nccc(/C=N/O)c1C(OC)OC ZINC001242389800 1314203175 /nfs/dbraw/zinc/20/31/75/1314203175.db2.gz UKSCLTLQLLQKCB-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cc(C)cc(C)c1)OCC ZINC000800441492 1307846050 /nfs/dbraw/zinc/84/60/50/1307846050.db2.gz DOOUUNBHUPNLTA-MRXNPFEDSA-N -1 0 339.457 2.621 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1C)C(=O)[O-] ZINC000900327812 1307980487 /nfs/dbraw/zinc/98/04/87/1307980487.db2.gz ASWABAWILXXNRZ-GFCCVEGCSA-N -1 0 346.305 2.791 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3=CC(=O)C[C@@H](C)C3)nc2)no1 ZINC001242738569 1314230166 /nfs/dbraw/zinc/23/01/66/1314230166.db2.gz VQEUFULSTGPPJZ-JTQLQIEISA-N -1 0 347.396 2.561 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CC[C@@](C)(c3ccccc3)C1)[n-]c2=O ZINC000780227727 1314240231 /nfs/dbraw/zinc/24/02/31/1314240231.db2.gz RWORNFKFONJROH-GOSISDBHSA-N -1 0 336.399 2.979 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000749039675 1314250554 /nfs/dbraw/zinc/25/05/54/1314250554.db2.gz BZTJXOBDDTXQMH-UHFFFAOYSA-N -1 0 346.246 2.751 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1cc(C(=O)[O-])cc(F)c1C ZINC001210006957 1314270987 /nfs/dbraw/zinc/27/09/87/1314270987.db2.gz KDJBQBASTDUCBE-UHFFFAOYSA-N -1 0 327.319 2.902 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000013357549 1308896957 /nfs/dbraw/zinc/89/69/57/1308896957.db2.gz CTWOJQZQYCAGQR-RMKNXTFCSA-N -1 0 327.292 2.954 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1ccc(C(=O)[O-])c(F)c1F ZINC001243511289 1314292666 /nfs/dbraw/zinc/29/26/66/1314292666.db2.gz BGJGQQBOZMVWKP-UHFFFAOYSA-N -1 0 334.278 2.888 20 30 EFEDRM CC1CCC(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001413280217 1309251177 /nfs/dbraw/zinc/25/11/77/1309251177.db2.gz LKFUTMUYCANOMD-UHFFFAOYSA-N -1 0 328.384 2.941 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1cc(C(=O)[O-])ccc1OC ZINC001210255001 1314302614 /nfs/dbraw/zinc/30/26/14/1314302614.db2.gz OAXVRYIULOXNSE-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001413298876 1309452393 /nfs/dbraw/zinc/45/23/93/1309452393.db2.gz QRPODUKZCGPUEQ-ISTVAULSSA-N -1 0 328.384 2.939 20 30 EFEDRM CC(C)(C)OC(=O)CCNN=Cc1cc(C(=O)[O-])c(Cl)s1 ZINC000901216713 1309877466 /nfs/dbraw/zinc/87/74/66/1309877466.db2.gz FSXFOEVGMFISMC-UHFFFAOYSA-N -1 0 332.809 2.755 20 30 EFEDRM N#Cc1cc2c(nc1-c1ccc(NC(=O)CCC(=O)[O-])cc1)CCC2 ZINC001244029825 1314345288 /nfs/dbraw/zinc/34/52/88/1314345288.db2.gz SNKIZJWXFLUGIZ-UHFFFAOYSA-N -1 0 335.363 2.912 20 30 EFEDRM CSc1ncc(C#N)c(-c2ccc(NC(=O)CCC(=O)[O-])cc2)n1 ZINC001244030668 1314345815 /nfs/dbraw/zinc/34/58/15/1314345815.db2.gz MHNKJQKUNHKKQD-UHFFFAOYSA-N -1 0 342.380 2.540 20 30 EFEDRM O=C([O-])c1cc(-c2ccc(C=NN[C@H]3CCSC3)o2)ccc1O ZINC000901239270 1309947779 /nfs/dbraw/zinc/94/77/79/1309947779.db2.gz OVBDBPWZDWJXEF-NSHDSACASA-N -1 0 332.381 2.779 20 30 EFEDRM CC#CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801388030 1310062182 /nfs/dbraw/zinc/06/21/82/1310062182.db2.gz IHUNVILFIPWALX-UHFFFAOYSA-N -1 0 349.730 2.710 20 30 EFEDRM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000901304069 1310093982 /nfs/dbraw/zinc/09/39/82/1310093982.db2.gz RFRHAECRQRFWIE-SGMGOOAPSA-N -1 0 334.416 2.808 20 30 EFEDRM COC(=O)c1ccc(-c2cc(OC)cc(C(=O)[O-])c2)cc1CC#N ZINC001244177657 1314359584 /nfs/dbraw/zinc/35/95/84/1314359584.db2.gz DIEFFAOCZXLAQV-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1CC(=O)[O-] ZINC000901438369 1310481463 /nfs/dbraw/zinc/48/14/63/1310481463.db2.gz HNLIAYWUUDSVJQ-AATRIKPKSA-N -1 0 328.368 2.996 20 30 EFEDRM CC(C)c1cccc2c1OC/C(=C/c1c(C(=O)[O-])cnn1C)C2=O ZINC000901487094 1310558368 /nfs/dbraw/zinc/55/83/68/1310558368.db2.gz ZZDSNSYXBUIBCD-XFFZJAGNSA-N -1 0 326.352 2.900 20 30 EFEDRM CCCn1cc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)nn1 ZINC000901526985 1310610720 /nfs/dbraw/zinc/61/07/20/1310610720.db2.gz SPCAHICWSIYXLZ-RAXLEYEMSA-N -1 0 325.368 2.989 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)nn1 ZINC000901529384 1310615102 /nfs/dbraw/zinc/61/51/02/1310615102.db2.gz KYXICFWDGOOWAX-PWWFUAJNSA-N -1 0 329.356 2.607 20 30 EFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)cc1)C(=O)[O-] ZINC000901559945 1310667728 /nfs/dbraw/zinc/66/77/28/1310667728.db2.gz CDWLURNECAXYMB-PWWFUAJNSA-N -1 0 326.352 2.577 20 30 EFEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1 ZINC000901561010 1310668568 /nfs/dbraw/zinc/66/85/68/1310668568.db2.gz PNXFLZLKNKUOIW-VOTSOKGWSA-N -1 0 326.352 2.579 20 30 EFEDRM O=C([O-])CCOc1ccccc1/C=C/C(=O)c1cc2n(n1)CCCC2 ZINC000901562683 1310671215 /nfs/dbraw/zinc/67/12/15/1310671215.db2.gz DBKPNNMKPWENGA-CMDGGOBGSA-N -1 0 340.379 2.969 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000901563776 1310672981 /nfs/dbraw/zinc/67/29/81/1310672981.db2.gz SGMWPGOBWBKVGT-ALCCZGGFSA-N -1 0 326.352 2.822 20 30 EFEDRM N#Cc1nc(-c2ccccc2)c(-c2cnc(F)c(C(=O)[O-])c2)nc1C#N ZINC001244752576 1314408286 /nfs/dbraw/zinc/40/82/86/1314408286.db2.gz QKSNPTHNYZHZOV-UHFFFAOYSA-N -1 0 345.293 2.786 20 30 EFEDRM Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000901630520 1310785458 /nfs/dbraw/zinc/78/54/58/1310785458.db2.gz SABFCWHOFDIWRK-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000749626833 1311035279 /nfs/dbraw/zinc/03/52/79/1311035279.db2.gz VSXIEBQJAHWMGQ-UHFFFAOYSA-N -1 0 344.375 2.773 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccc(C(C)C)cc1 ZINC001222111716 1311086890 /nfs/dbraw/zinc/08/68/90/1311086890.db2.gz DROUSMSVWIAOCX-MRXNPFEDSA-N -1 0 328.430 2.786 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc(CC(=O)[O-])cc3)cc12 ZINC000750904253 1311102155 /nfs/dbraw/zinc/10/21/55/1311102155.db2.gz HFRSUAVTKVAHSZ-YVMONPNESA-N -1 0 335.363 2.800 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000751215859 1311112832 /nfs/dbraw/zinc/11/28/32/1311112832.db2.gz AVTRZWMAXSQFSR-UHFFFAOYSA-N -1 0 328.393 2.943 20 30 EFEDRM Cc1nc(C#N)c(C#N)nc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001222603861 1311158727 /nfs/dbraw/zinc/15/87/27/1311158727.db2.gz DLFCPQOTDXZTMU-UHFFFAOYSA-N -1 0 332.241 2.912 20 30 EFEDRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000901973978 1311266550 /nfs/dbraw/zinc/26/65/50/1311266550.db2.gz LJLYNTRYJLBRDP-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223592555 1311280398 /nfs/dbraw/zinc/28/03/98/1311280398.db2.gz CIDHZTDUIONRSW-DJKGHHAWSA-N -1 0 338.751 2.994 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)OCc1ccc(S(=O)(=O)[O-])cc1 ZINC001223744250 1311298212 /nfs/dbraw/zinc/29/82/12/1311298212.db2.gz LLUKXYCWOWWDEJ-CYBMUJFWSA-N -1 0 342.413 2.736 20 30 EFEDRM CCOC(=O)[C@@H](O/C(=N\[O-])c1cc(F)ccc1F)C(F)(F)F ZINC001223889837 1311315850 /nfs/dbraw/zinc/31/58/50/1311315850.db2.gz LBRXGHZJRZICHP-HXOGEXJKSA-N -1 0 327.205 2.611 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@@H]2CCCn3cc(C)nc32)c1 ZINC001223891426 1311316248 /nfs/dbraw/zinc/31/62/48/1311316248.db2.gz JSQPPXYAOYFGBZ-KIJUOZEOSA-N -1 0 331.372 2.896 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCC3(C2)OCCO3)c1 ZINC001223891592 1311316309 /nfs/dbraw/zinc/31/63/09/1311316309.db2.gz NWHAAEIEOGCXOG-VDMFXUGISA-N -1 0 337.372 2.542 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@@H](C)C(=O)OCCC(C)C)c1 ZINC001223890983 1311316403 /nfs/dbraw/zinc/31/64/03/1311316403.db2.gz AUTJDCOXJJYFKC-UFZXGQNFSA-N -1 0 339.388 2.834 20 30 EFEDRM COC(=O)[C@H]1CCC[C@@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891365 1311316664 /nfs/dbraw/zinc/31/66/64/1311316664.db2.gz IOWPMZRSVVBTHO-CMSRKXFBSA-N -1 0 337.372 2.588 20 30 EFEDRM CCOC(=O)[C@@H](CC(C)C)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893154 1311316889 /nfs/dbraw/zinc/31/68/89/1311316889.db2.gz REFISKYUECVCRB-ZMMDAZFZSA-N -1 0 339.388 2.834 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccccc1C(C)C ZINC001223908145 1311319790 /nfs/dbraw/zinc/31/97/90/1311319790.db2.gz PMVVFTOLHUFREQ-HNNXBMFYSA-N -1 0 328.430 2.786 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1csc2ccccc12 ZINC001223977024 1311328027 /nfs/dbraw/zinc/32/80/27/1311328027.db2.gz RLDRUNLMSPXDHN-CYBMUJFWSA-N -1 0 342.438 2.877 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1nccc(Oc2ccccc2)n1 ZINC001158965326 1311425582 /nfs/dbraw/zinc/42/55/82/1311425582.db2.gz OZSDQJRWZPWWJT-UHFFFAOYSA-N -1 0 336.311 2.695 20 30 EFEDRM C[C@@H](C#C[Si](C)(C)C)OCCc1ccc(S(=O)(=O)[O-])cc1 ZINC001224901503 1311448308 /nfs/dbraw/zinc/44/83/08/1311448308.db2.gz AAOKGPLKQLOSNR-ZDUSSCGKSA-N -1 0 326.490 2.762 20 30 EFEDRM N#C[C@H](OCCc1ccc(S(=O)(=O)[O-])cc1)c1cccc(F)c1 ZINC001224903295 1311448868 /nfs/dbraw/zinc/44/88/68/1311448868.db2.gz PKZYCQCPWWDLAB-INIZCTEOSA-N -1 0 335.356 2.896 20 30 EFEDRM CC(C)C1(C(C)C)OC[C@@H](CCOc2[n-]c(=O)c(F)cc2C#N)O1 ZINC001226008138 1311601104 /nfs/dbraw/zinc/60/11/04/1311601104.db2.gz FAPBMYHQLBUGCF-CYBMUJFWSA-N -1 0 338.379 2.991 20 30 EFEDRM CCCCOC[C@H](C)OC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009079 1311601138 /nfs/dbraw/zinc/60/11/38/1311601138.db2.gz RMGQZKDRMTWNKY-RYUDHWBXSA-N -1 0 326.368 2.787 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1OC1CC(C(=O)OCc2ccccc2)C1 ZINC001226013700 1311601399 /nfs/dbraw/zinc/60/13/99/1311601399.db2.gz QNZPYKLMVGRMSG-UHFFFAOYSA-N -1 0 342.326 2.699 20 30 EFEDRM C=C[C@H](CCCCC)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226017802 1311601687 /nfs/dbraw/zinc/60/16/87/1311601687.db2.gz HVOOLRDKMCKLJN-SNVBAGLBSA-N -1 0 339.348 2.781 20 30 EFEDRM CN(C)c1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cn1 ZINC000902287956 1311608669 /nfs/dbraw/zinc/60/86/69/1311608669.db2.gz WOFCKLQSPIJHAU-UHFFFAOYSA-N -1 0 327.432 2.852 20 30 EFEDRM Cc1cc(=O)[n-]c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1C#N ZINC001226221244 1311632706 /nfs/dbraw/zinc/63/27/06/1311632706.db2.gz KCUWMRWVMCDZFM-UHFFFAOYSA-N -1 0 333.388 2.746 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1C#N ZINC001226224000 1311633171 /nfs/dbraw/zinc/63/31/71/1311633171.db2.gz XQGCPLIRGZYSOJ-GJZGRUSLSA-N -1 0 338.411 2.967 20 30 EFEDRM CCN(CC)C(=O)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226223186 1311633242 /nfs/dbraw/zinc/63/32/42/1311633242.db2.gz MEHQQGDHWHEZQC-KRWDZBQOSA-N -1 0 339.395 2.956 20 30 EFEDRM CSc1nc(-c2ccccc2)nc([N-]c2nccnc2CN)c1C#N ZINC001160245891 1311672940 /nfs/dbraw/zinc/67/29/40/1311672940.db2.gz NNZFXOCZCHCQNS-UHFFFAOYSA-N -1 0 349.423 2.729 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2cc(C#N)ccc2c1 ZINC001226813066 1311727434 /nfs/dbraw/zinc/72/74/34/1311727434.db2.gz JRCPADYBNGYXKQ-QGZVFWFLSA-N -1 0 347.392 2.549 20 30 EFEDRM C[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095931 1311761659 /nfs/dbraw/zinc/76/16/59/1311761659.db2.gz MKULFXPPOMWMNC-JTQLQIEISA-N -1 0 331.404 2.892 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)nc2[nH]ccc21 ZINC001227270634 1311786220 /nfs/dbraw/zinc/78/62/20/1311786220.db2.gz JJFWCIDPVNCDMN-GFCCVEGCSA-N -1 0 346.387 2.608 20 30 EFEDRM C=CCC[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227333359 1311794717 /nfs/dbraw/zinc/79/47/17/1311794717.db2.gz XPPZWVZXRGONDH-QMMMGPOBSA-N -1 0 345.193 2.855 20 30 EFEDRM C#C[C@@H](Oc1ccc(S(=O)(=O)[O-])c2cccnc12)c1ccncc1 ZINC001227441329 1311807137 /nfs/dbraw/zinc/80/71/37/1311807137.db2.gz RUJQZMZOJQCYJE-CQSZACIVSA-N -1 0 340.360 2.630 20 30 EFEDRM C#C[C@@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227494060 1311812661 /nfs/dbraw/zinc/81/26/61/1311812661.db2.gz NPZDEMLOVFKANH-VIFPVBQESA-N -1 0 326.370 2.598 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)cc1Cl ZINC001227511661 1311814112 /nfs/dbraw/zinc/81/41/12/1311814112.db2.gz KRXLAIIUCCGNLG-SNVBAGLBSA-N -1 0 341.212 2.831 20 30 EFEDRM N#C[C@@H](Oc1nc(=O)[n-]c(=O)[nH]1)c1cccc(Oc2ccccc2)c1 ZINC001227571539 1311824257 /nfs/dbraw/zinc/82/42/57/1311824257.db2.gz WMYQSSDAEBKIHL-CQSZACIVSA-N -1 0 336.307 2.719 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(OCCCC)cc1 ZINC001227577776 1311824316 /nfs/dbraw/zinc/82/43/16/1311824316.db2.gz SBSAMMVWQDTEPY-INIZCTEOSA-N -1 0 344.429 2.703 20 30 EFEDRM C=CC[C@H](CCC)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227595435 1311826862 /nfs/dbraw/zinc/82/68/62/1311826862.db2.gz YTOPJYDLNZIFHE-SSDOTTSWSA-N -1 0 327.182 2.945 20 30 EFEDRM C#C[C@@H](CCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621243 1311832202 /nfs/dbraw/zinc/83/22/02/1311832202.db2.gz CSLNQORKBYQDBY-VIFPVBQESA-N -1 0 326.370 2.598 20 30 EFEDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C)CC(C)(C)S)c1[O-] ZINC001227621944 1311832523 /nfs/dbraw/zinc/83/25/23/1311832523.db2.gz JMIOOBCDZUIIFU-ZETCQYMHSA-N -1 0 348.442 2.893 20 30 EFEDRM CCC[C@H](C#Cc1ccccc1)Oc1c[n-]c(C(=O)OC)cc1=O ZINC001227786010 1311855228 /nfs/dbraw/zinc/85/52/28/1311855228.db2.gz OOIMFHSXDUYQTC-OAHLLOKOSA-N -1 0 325.364 2.761 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1C(=O)CCC ZINC001228024926 1311889822 /nfs/dbraw/zinc/88/98/22/1311889822.db2.gz QCFVWIYIKVWIDR-ZDUSSCGKSA-N -1 0 342.413 2.507 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1[n-]ncc(=O)c1Cl ZINC001228389756 1311940422 /nfs/dbraw/zinc/94/04/22/1311940422.db2.gz FXMNGZAIDLLAQI-JTQLQIEISA-N -1 0 325.151 2.949 20 30 EFEDRM CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1OC(=O)[C@H](O)CC(=O)[O-] ZINC001228426553 1311946015 /nfs/dbraw/zinc/94/60/15/1311946015.db2.gz MSUBUIOJLJQSKG-CQSZACIVSA-N -1 0 347.411 2.894 20 30 EFEDRM N#C[C@H](Oc1ccc(-n2nn[n-]c2=S)cc1)c1cccc(F)c1 ZINC001228440390 1311948411 /nfs/dbraw/zinc/94/84/11/1311948411.db2.gz HONZTLOYDCQJBV-AWEZNQCLSA-N -1 0 327.344 2.734 20 30 EFEDRM C=CC(C=C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228518569 1311959588 /nfs/dbraw/zinc/95/95/88/1311959588.db2.gz JGFCVUDUSZPYBS-UHFFFAOYSA-N -1 0 328.320 2.859 20 30 EFEDRM C#CC[C@H](C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228519973 1311960242 /nfs/dbraw/zinc/96/02/42/1311960242.db2.gz SYVVQRNTEIMYQE-JTQLQIEISA-N -1 0 328.320 2.531 20 30 EFEDRM CC[C@H](NN=Cc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000381280927 1311977844 /nfs/dbraw/zinc/97/78/44/1311977844.db2.gz YDIWCMZRBIFLJK-ZETCQYMHSA-N -1 0 325.615 2.951 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(OC(C)C)ccc1C ZINC001228729128 1311989500 /nfs/dbraw/zinc/98/95/00/1311989500.db2.gz YUHITNRUUYVEMV-OAHLLOKOSA-N -1 0 344.429 2.620 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(OC(C)C)ccc1C ZINC001228729116 1311989572 /nfs/dbraw/zinc/98/95/72/1311989572.db2.gz YUHITNRUUYVEMV-HNNXBMFYSA-N -1 0 344.429 2.620 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1 ZINC000802768475 1312000376 /nfs/dbraw/zinc/00/03/76/1312000376.db2.gz HISBSECPHRHLHP-QLFBSQMISA-N -1 0 338.473 2.733 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCC1 ZINC000802768477 1312000603 /nfs/dbraw/zinc/00/06/03/1312000603.db2.gz HISBSECPHRHLHP-RRFJBIMHSA-N -1 0 338.473 2.733 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898076 1312016468 /nfs/dbraw/zinc/01/64/68/1312016468.db2.gz BPAUJBOONPIKDV-UGSOOPFHSA-N -1 0 345.399 2.827 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1Cc2ccc(Br)cc2C1 ZINC001228898474 1312016487 /nfs/dbraw/zinc/01/64/87/1312016487.db2.gz GVLPMONYDSQMSY-ZDUSSCGKSA-N -1 0 331.169 2.968 20 30 EFEDRM C[C@@H]1C[C@H](Oc2[n-]c(=O)ccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001228898125 1312016553 /nfs/dbraw/zinc/01/65/53/1312016553.db2.gz CBFGZDHUKUOFEY-DGCLKSJQSA-N -1 0 333.388 2.826 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC2(CC(Oc3[n-]c(=O)ccc3C#N)C2)C1 ZINC001228899624 1312016878 /nfs/dbraw/zinc/01/68/78/1312016878.db2.gz ZZDTWNYKFUESIT-UHFFFAOYSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228899219 1312016983 /nfs/dbraw/zinc/01/69/83/1312016983.db2.gz TUORZKQCSTUTHP-DGCLKSJQSA-N -1 0 333.388 2.683 20 30 EFEDRM C[C@H]1CC[C@H](Oc2[n-]c(=O)ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228902079 1312017655 /nfs/dbraw/zinc/01/76/55/1312017655.db2.gz PQTLTZPXCODJEH-AAEUAGOBSA-N -1 0 333.388 2.826 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001228905952 1312018176 /nfs/dbraw/zinc/01/81/76/1312018176.db2.gz RMNIURPTFMESRI-OAHLLOKOSA-N -1 0 345.349 2.947 20 30 EFEDRM C=C[C@H](CCCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228951070 1312026139 /nfs/dbraw/zinc/02/61/39/1312026139.db2.gz TVBWDSWDMCOJFW-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1occ2c1CCC2 ZINC000802796467 1312030861 /nfs/dbraw/zinc/03/08/61/1312030861.db2.gz IIHVJXAQWMNFHV-ZDUSSCGKSA-N -1 0 344.317 2.685 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC[C@H]1CCCO1 ZINC000113651191 1312101016 /nfs/dbraw/zinc/10/10/16/1312101016.db2.gz FZEOCCWSIOLSPE-UKRRQHHQSA-N -1 0 340.379 2.564 20 30 EFEDRM N#CCN1CC[C@@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229515759 1312108512 /nfs/dbraw/zinc/10/85/12/1312108512.db2.gz FPZJOWYMIMBWOI-CQSZACIVSA-N -1 0 336.347 2.628 20 30 EFEDRM CC[C@H]1OC(C)=C(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)C1=O ZINC001229622845 1312121176 /nfs/dbraw/zinc/12/11/76/1312121176.db2.gz HAIYXVYVLRJHCG-CHWSQXEVSA-N -1 0 347.392 2.569 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc[n-]c(=O)c1Cl ZINC001230012012 1312170721 /nfs/dbraw/zinc/17/07/21/1312170721.db2.gz BREAADYCBVPTJY-SNVBAGLBSA-N -1 0 341.795 2.780 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C#N)c1ccccc1 ZINC001230203246 1312204449 /nfs/dbraw/zinc/20/44/49/1312204449.db2.gz KNEXLTCSMKBTNZ-HNNXBMFYSA-N -1 0 335.319 2.766 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000803056275 1312237208 /nfs/dbraw/zinc/23/72/08/1312237208.db2.gz GCBSWFJHCVRDBO-UHFFFAOYSA-N -1 0 327.833 2.522 20 30 EFEDRM C=CCNC(=O)c1cccnc1Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001163116332 1312244101 /nfs/dbraw/zinc/24/41/01/1312244101.db2.gz PYSMFTBTGXDIKA-UHFFFAOYSA-N -1 0 349.394 2.941 20 30 EFEDRM [NH2+]=C(Nc1ccc(P(=O)([O-])[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC001163685508 1312363407 /nfs/dbraw/zinc/36/34/07/1312363407.db2.gz ORZFNHKMUFNXFJ-UHFFFAOYSA-N -1 0 344.229 2.545 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)cc1C ZINC000903140601 1312400177 /nfs/dbraw/zinc/40/01/77/1312400177.db2.gz FZMPUEQTDYUACQ-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1ccc(CCS(=O)(=O)[N-]c2sc(C)cc2C#N)cc1 ZINC000903170180 1312426196 /nfs/dbraw/zinc/42/61/96/1312426196.db2.gz XRGDIMQNGUFIQT-UHFFFAOYSA-N -1 0 336.438 2.921 20 30 EFEDRM COC[C@H](C)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231230722 1312457986 /nfs/dbraw/zinc/45/79/86/1312457986.db2.gz MZTWMVZTRNXOQE-VIFPVBQESA-N -1 0 327.296 2.611 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1cccc(C(=O)[O-])c1OC ZINC001211036913 1314426962 /nfs/dbraw/zinc/42/69/62/1314426962.db2.gz MESDXTGKUDFXCS-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc(C(=O)[O-])c1OC ZINC001211038286 1314427447 /nfs/dbraw/zinc/42/74/47/1314427447.db2.gz COILRFKDPIBOHP-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cc(CC(=O)[O-])ccc2F)c1C#N ZINC001245316878 1314468460 /nfs/dbraw/zinc/46/84/60/1314468460.db2.gz NCCYBUMSIWFKJS-UHFFFAOYSA-N -1 0 342.326 2.872 20 30 EFEDRM COC(=O)c1ccc(-c2cc(CC(=O)[O-])ccc2F)cc1CC#N ZINC001245318716 1314469139 /nfs/dbraw/zinc/46/91/39/1314469139.db2.gz BBOKUTCASAPUDL-UHFFFAOYSA-N -1 0 327.311 2.972 20 30 EFEDRM CSc1nn(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(N)c1C#N ZINC001211481502 1314507888 /nfs/dbraw/zinc/50/78/88/1314507888.db2.gz IFIDQLBZVPLLPB-UHFFFAOYSA-N -1 0 342.302 2.765 20 30 EFEDRM N#Cc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1O ZINC001213191881 1314519116 /nfs/dbraw/zinc/51/91/16/1314519116.db2.gz KONXLKBSFMZLER-UHFFFAOYSA-N -1 0 325.324 2.811 20 30 EFEDRM N#Cc1cn(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c2ccc(N)cc12 ZINC001213196900 1314519800 /nfs/dbraw/zinc/51/98/00/1314519800.db2.gz UVDIRLVFJIHCSY-UHFFFAOYSA-N -1 0 348.362 2.888 20 30 EFEDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(C2(C#N)CC2)c1 ZINC001213325226 1314538002 /nfs/dbraw/zinc/53/80/02/1314538002.db2.gz DWVWONKWIYOSNX-UHFFFAOYSA-N -1 0 343.408 2.633 20 30 EFEDRM CN(C)c1ccc(C(=O)n2[n-]c(-c3ccc(C#N)cc3)cc2=O)cc1 ZINC001245932571 1314551318 /nfs/dbraw/zinc/55/13/18/1314551318.db2.gz IAQPBKKLWOAYMB-UHFFFAOYSA-N -1 0 332.363 2.882 20 30 EFEDRM COc1cccc(Cc2cc(=O)n(C(=O)c3ccc(C#N)cc3)[n-]2)c1 ZINC001245939552 1314552858 /nfs/dbraw/zinc/55/28/58/1314552858.db2.gz IDNPWXHIUGBJHO-UHFFFAOYSA-N -1 0 333.347 2.748 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(OC)cc(C(=O)[O-])c1 ZINC001213597268 1314579384 /nfs/dbraw/zinc/57/93/84/1314579384.db2.gz QAIGQOQVGYSMJS-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM O=C(/C=C/c1cn(Cc2cccnc2)nn1)c1ccc([O-])c(Cl)c1 ZINC000119256878 1314605386 /nfs/dbraw/zinc/60/53/86/1314605386.db2.gz AYCTZQDOOYYFCP-GQCTYLIASA-N -1 0 340.770 2.977 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000119702547 1314690328 /nfs/dbraw/zinc/69/03/28/1314690328.db2.gz AFCBFFNZSLSOIS-ZDUSSCGKSA-N -1 0 340.301 2.966 20 30 EFEDRM N#Cc1cnn2c1[nH]c(=O)cc2Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214738813 1314733495 /nfs/dbraw/zinc/73/34/95/1314733495.db2.gz TWNOWJHLESFWKY-UHFFFAOYSA-N -1 0 347.693 2.541 20 30 EFEDRM CSc1ncc([O-])c(-c2nc(-c3cc(C#N)ccc3F)no2)n1 ZINC001215052011 1314774558 /nfs/dbraw/zinc/77/45/58/1314774558.db2.gz XHCRCIPNXBIJNT-UHFFFAOYSA-N -1 0 329.316 2.632 20 30 EFEDRM N#Cc1ncc(Nc2cnc(F)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001215103261 1314781852 /nfs/dbraw/zinc/78/18/52/1314781852.db2.gz POVNMMKBGHEWCY-UHFFFAOYSA-N -1 0 326.209 2.948 20 30 EFEDRM C=CCCNC(=S)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001247650245 1314814802 /nfs/dbraw/zinc/81/48/02/1314814802.db2.gz QBRNYYRRIVEBCP-UHFFFAOYSA-N -1 0 336.438 2.949 20 30 EFEDRM C=CCCCNC(=S)Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001247754567 1314834550 /nfs/dbraw/zinc/83/45/50/1314834550.db2.gz HSTYGCWOBPNRCB-UHFFFAOYSA-N -1 0 334.850 2.839 20 30 EFEDRM C#Cc1cnc(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C#C)n1 ZINC001215641438 1314862911 /nfs/dbraw/zinc/86/29/11/1314862911.db2.gz OCVGEPGSEMDBPC-UHFFFAOYSA-N -1 0 331.253 2.900 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(Cc3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC001247988250 1314879034 /nfs/dbraw/zinc/87/90/34/1314879034.db2.gz JORSNSNOALZEGB-UHFFFAOYSA-N -1 0 340.270 2.952 20 30 EFEDRM COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C#N ZINC001216128319 1314916748 /nfs/dbraw/zinc/91/67/48/1314916748.db2.gz QYDXAENTYJLEKC-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM CC(C)(C)OC(=O)n1ccc([N-]c2nc(C#N)c(C#N)nc2Cl)n1 ZINC001216672522 1314990608 /nfs/dbraw/zinc/99/06/08/1314990608.db2.gz MJGVEVKMGHCMOH-UHFFFAOYSA-N -1 0 345.750 2.597 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(CC(=O)[O-])ccc1F ZINC001216681813 1314992908 /nfs/dbraw/zinc/99/29/08/1314992908.db2.gz NEHDRONTFJAIJI-UHFFFAOYSA-N -1 0 328.299 2.855 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2ncn(Cc3ccc(Cl)cc3)[n-]2)s1 ZINC000487796439 1315002015 /nfs/dbraw/zinc/00/20/15/1315002015.db2.gz KZNYIPHANFYPSX-UHFFFAOYSA-N -1 0 343.799 2.587 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3ccc4c(c3)OCCC4=O)no2)c1[O-] ZINC001216978738 1315027807 /nfs/dbraw/zinc/02/78/07/1315027807.db2.gz IKSJPLRORCHJDP-UHFFFAOYSA-N -1 0 333.303 2.946 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(-c3c[n-]c4cccnc4c3=O)n2)c1 ZINC001217435918 1315072414 /nfs/dbraw/zinc/07/24/14/1315072414.db2.gz VLAZZNUKRZHSIA-UHFFFAOYSA-N -1 0 333.282 2.651 20 30 EFEDRM Cc1ccc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)nc1 ZINC001217506571 1315079056 /nfs/dbraw/zinc/07/90/56/1315079056.db2.gz LUDWJZHMFZLVDS-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1cccnc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217507230 1315079142 /nfs/dbraw/zinc/07/91/42/1315079142.db2.gz QXVKBFJYYCMPJL-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1ncccc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217507016 1315079305 /nfs/dbraw/zinc/07/93/05/1315079305.db2.gz OZWCSDIXPVIBPO-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccs1 ZINC001250931442 1315297197 /nfs/dbraw/zinc/29/71/97/1315297197.db2.gz DZJMRGYJKVBJEQ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250962371 1315301353 /nfs/dbraw/zinc/30/13/53/1315301353.db2.gz TWRYIDIHOYXLIR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CN(C)S(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)sc1C#N ZINC001251051431 1315315147 /nfs/dbraw/zinc/31/51/47/1315315147.db2.gz LLXQJRMSRMGGIK-UHFFFAOYSA-N -1 0 325.390 2.644 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251192458 1315329830 /nfs/dbraw/zinc/32/98/30/1315329830.db2.gz RXEQXCMRIZROPG-UHFFFAOYSA-N -1 0 348.252 2.559 20 30 EFEDRM C[C@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251415671 1315346818 /nfs/dbraw/zinc/34/68/18/1315346818.db2.gz HRCXOYZSNINCEZ-GFCCVEGCSA-N -1 0 335.212 2.623 20 30 EFEDRM C#C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411912 1315346855 /nfs/dbraw/zinc/34/68/55/1315346855.db2.gz OJUHNHAMNNVQHU-VIFPVBQESA-N -1 0 334.224 2.733 20 30 EFEDRM N#C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251411961 1315346930 /nfs/dbraw/zinc/34/69/30/1315346930.db2.gz QRZRRBFUNHYBEE-VIFPVBQESA-N -1 0 335.212 2.766 20 30 EFEDRM O=C1C=C(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC001251429174 1315347786 /nfs/dbraw/zinc/34/77/86/1315347786.db2.gz JMUXFJTZEZGPQR-UHFFFAOYSA-N -1 0 336.196 2.614 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)cc1 ZINC001251887229 1315384680 /nfs/dbraw/zinc/38/46/80/1315384680.db2.gz SOWZIHLZQXAFHM-UHFFFAOYSA-N -1 0 331.397 2.692 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)C(F)(F)F)c1Br ZINC001252359724 1315438844 /nfs/dbraw/zinc/43/88/44/1315438844.db2.gz HYWQIZJIJAJTBW-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000316502556 1315466311 /nfs/dbraw/zinc/46/63/11/1315466311.db2.gz SASRQNKVZYCRPZ-SNVBAGLBSA-N -1 0 338.212 2.691 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]c1ncc(C(F)(F)F)cc1F ZINC001253113370 1315571093 /nfs/dbraw/zinc/57/10/93/1315571093.db2.gz MHHZQDOQPDLZSE-UHFFFAOYSA-N -1 0 326.193 2.544 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1c(F)cccc1C(F)(F)F ZINC001253224250 1315582888 /nfs/dbraw/zinc/58/28/88/1315582888.db2.gz NXGLNTAKLIIPFB-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254208197 1315682529 /nfs/dbraw/zinc/68/25/29/1315682529.db2.gz HEYGVXFCYBMDJC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254208067 1315682628 /nfs/dbraw/zinc/68/26/28/1315682628.db2.gz FNMQZEWMNHNPRI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC001254208944 1315682892 /nfs/dbraw/zinc/68/28/92/1315682892.db2.gz ZGRGYLNXFJHIOW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254217863 1315683255 /nfs/dbraw/zinc/68/32/55/1315683255.db2.gz GOWIJZQXLNMMEU-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001255610336 1315847574 /nfs/dbraw/zinc/84/75/74/1315847574.db2.gz HYFLFXRWQMSJEN-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1 ZINC001255880679 1315876509 /nfs/dbraw/zinc/87/65/09/1315876509.db2.gz JAVSSAZJWWPTIV-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256073644 1315900184 /nfs/dbraw/zinc/90/01/84/1315900184.db2.gz WWCXVZHQNDSATJ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256077816 1315901472 /nfs/dbraw/zinc/90/14/72/1315901472.db2.gz SRFWNGBTHXQCPU-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)c(O)cc1F ZINC001256316686 1315928633 /nfs/dbraw/zinc/92/86/33/1315928633.db2.gz OBZXATXZECRMSI-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256542119 1315954651 /nfs/dbraw/zinc/95/46/51/1315954651.db2.gz SVZHUFHLXSBZOM-PLNGDYQASA-N -1 0 333.740 2.715 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC001256559765 1315959026 /nfs/dbraw/zinc/95/90/26/1315959026.db2.gz GOBGSBOWRKMLMN-GFCCVEGCSA-N -1 0 327.302 2.883 20 30 EFEDRM C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827851732 1316023875 /nfs/dbraw/zinc/02/38/75/1316023875.db2.gz UOAVSNUXYSHHQC-SKDRFNHKSA-N -1 0 331.363 2.509 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(SCc2csc(C)n2)cc1 ZINC000133472839 1316032519 /nfs/dbraw/zinc/03/25/19/1316032519.db2.gz FIFLVYTYMLWVCA-CQSZACIVSA-N -1 0 345.449 2.812 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC001257920447 1316104169 /nfs/dbraw/zinc/10/41/69/1316104169.db2.gz HXNCAEQLPNGPMS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccn1 ZINC001258196234 1316130237 /nfs/dbraw/zinc/13/02/37/1316130237.db2.gz AWUOEECNSHEYRM-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COc1cccc2cc([N-]S(=O)(=O)c3ccccc3C#N)cnc21 ZINC001258208282 1316131640 /nfs/dbraw/zinc/13/16/40/1316131640.db2.gz KVTJNXMZPPSKEC-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1nc([N-]S(=O)(=O)c2ccccc2C#N)cc2ccccc21 ZINC001258215071 1316132103 /nfs/dbraw/zinc/13/21/03/1316132103.db2.gz YTCUWBHKKYFUEH-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cn2ccnc2)cc1 ZINC001258266704 1316135408 /nfs/dbraw/zinc/13/54/08/1316135408.db2.gz URFZSTBTBKXHFH-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)sc2c1 ZINC001258266714 1316135452 /nfs/dbraw/zinc/13/54/52/1316135452.db2.gz VIEWTFLNZCULQM-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2s1 ZINC001258273926 1316135856 /nfs/dbraw/zinc/13/58/56/1316135856.db2.gz UAJKAGFETPCCAN-UHFFFAOYSA-N -1 0 340.389 2.840 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(Cl)cccc1C#N ZINC001258426414 1316150046 /nfs/dbraw/zinc/15/00/46/1316150046.db2.gz STOCINXMVBELME-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C(F)(F)F ZINC001258659456 1316170701 /nfs/dbraw/zinc/17/07/01/1316170701.db2.gz LJKKDWJKJOZYSZ-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1snc(C)c1C#N ZINC001258931198 1316193343 /nfs/dbraw/zinc/19/33/43/1316193343.db2.gz UBHJZGXQCZYXDS-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(C#N)c(C)c1 ZINC001258932318 1316193585 /nfs/dbraw/zinc/19/35/85/1316193585.db2.gz RPYARPWCPGUXLD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258942129 1316194570 /nfs/dbraw/zinc/19/45/70/1316194570.db2.gz IPPIOHRNPYPBAE-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258943090 1316194892 /nfs/dbraw/zinc/19/48/92/1316194892.db2.gz OHQSYISANJAAPJ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947331 1316195280 /nfs/dbraw/zinc/19/52/80/1316195280.db2.gz CNYVDYFKDORERB-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258948045 1316195417 /nfs/dbraw/zinc/19/54/17/1316195417.db2.gz RECBOPNHMONTNY-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CC(C)C[C@@](C)(C#N)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC001258979677 1316198661 /nfs/dbraw/zinc/19/86/61/1316198661.db2.gz UBZONPIELLVRMS-JQFCIGGWSA-N -1 0 340.489 2.630 20 30 EFEDRM N#CCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259040889 1316201387 /nfs/dbraw/zinc/20/13/87/1316201387.db2.gz MQAAPMOLBGFBLP-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C#N)c1 ZINC001259079906 1316205877 /nfs/dbraw/zinc/20/58/77/1316205877.db2.gz BKGAPDYHZDEKBR-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cnc21 ZINC001259106971 1316210325 /nfs/dbraw/zinc/21/03/25/1316210325.db2.gz VWBBCUAMVNXYGR-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107250 1316210623 /nfs/dbraw/zinc/21/06/23/1316210623.db2.gz NEVQBBJAUPDLQS-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM Cc1cn2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2n1 ZINC001259107327 1316210702 /nfs/dbraw/zinc/21/07/02/1316210702.db2.gz QVJLNAKFUXCGHS-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)c(Cl)c1 ZINC001259114366 1316211054 /nfs/dbraw/zinc/21/10/54/1316211054.db2.gz VCIOMRSVNMDHDN-OAHLLOKOSA-N -1 0 348.811 2.992 20 30 EFEDRM Cn1ncc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc21 ZINC001259112142 1316211110 /nfs/dbraw/zinc/21/11/10/1316211110.db2.gz PBPFCFOIIKPKQF-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259112329 1316211250 /nfs/dbraw/zinc/21/12/50/1316211250.db2.gz ADCVOXYZEKBTAE-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CCCCOc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccn1 ZINC001259118309 1316211582 /nfs/dbraw/zinc/21/15/82/1316211582.db2.gz KWTNYMVRFPABBX-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM COC(=O)c1csc(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259118218 1316211805 /nfs/dbraw/zinc/21/18/05/1316211805.db2.gz IDVVKLUGTVUCBQ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cncc(N3CCCCC3)c2)c1 ZINC001259118894 1316211919 /nfs/dbraw/zinc/21/19/19/1316211919.db2.gz VTSSLIMZCIBEIH-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM COC(=O)c1cc(C)c(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125481 1316212424 /nfs/dbraw/zinc/21/24/24/1316212424.db2.gz FBNNPLOHZTXYQX-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C(C)=O ZINC001259124989 1316212428 /nfs/dbraw/zinc/21/24/28/1316212428.db2.gz FJVKULGFKYSGSD-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259151286 1316213463 /nfs/dbraw/zinc/21/34/63/1316213463.db2.gz PASXGFNTWPJNAW-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C ZINC001259197331 1316218388 /nfs/dbraw/zinc/21/83/88/1316218388.db2.gz TUKZEYDQMFDBFH-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccn1 ZINC001259288553 1316225363 /nfs/dbraw/zinc/22/53/63/1316225363.db2.gz WNISWCLHBWQUDE-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1cc(C#N)cn1C(C)(C)C ZINC001259294981 1316226168 /nfs/dbraw/zinc/22/61/68/1316226168.db2.gz YCYKBWVPDPKNBF-UHFFFAOYSA-N -1 0 333.413 2.924 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259312343 1316229053 /nfs/dbraw/zinc/22/90/53/1316229053.db2.gz GXOBOQSXNJUGSU-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259312067 1316229118 /nfs/dbraw/zinc/22/91/18/1316229118.db2.gz NHEVTIZLDCQXFY-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC001259331734 1316230816 /nfs/dbraw/zinc/23/08/16/1316230816.db2.gz JNLMZQPGSTZVES-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C#N ZINC001259351538 1316231592 /nfs/dbraw/zinc/23/15/92/1316231592.db2.gz WNCXZKNSHQRTJJ-UHFFFAOYSA-N -1 0 349.799 2.651 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cn1 ZINC001259350308 1316231922 /nfs/dbraw/zinc/23/19/22/1316231922.db2.gz FZXYHLYWDWYCPJ-UHFFFAOYSA-N -1 0 343.408 2.618 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c(C#N)c1C ZINC001259362940 1316233509 /nfs/dbraw/zinc/23/35/09/1316233509.db2.gz TWMWXAKGYHMVKE-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC001259391832 1316236824 /nfs/dbraw/zinc/23/68/24/1316236824.db2.gz HPRZGWTVOLIRBT-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259395438 1316236849 /nfs/dbraw/zinc/23/68/49/1316236849.db2.gz BHRXRQZQMQUFBM-UHFFFAOYSA-N -1 0 340.389 2.840 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259396543 1316237186 /nfs/dbraw/zinc/23/71/86/1316237186.db2.gz IFGJLPYCAOEGRR-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C#N)c1 ZINC001259402392 1316238344 /nfs/dbraw/zinc/23/83/44/1316238344.db2.gz RVLPTTXIUBRLJB-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)s1 ZINC001259411535 1316239154 /nfs/dbraw/zinc/23/91/54/1316239154.db2.gz ZOBKQGCZNJHABR-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM Cn1c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc2ccccc21 ZINC001259412964 1316239222 /nfs/dbraw/zinc/23/92/22/1316239222.db2.gz NMOGLLWIPMOGGC-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)ccc1F ZINC001259412390 1316239268 /nfs/dbraw/zinc/23/92/68/1316239268.db2.gz FQICMKGKBCSXDA-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cnc1Cl ZINC001259412849 1316239339 /nfs/dbraw/zinc/23/93/39/1316239339.db2.gz KBXNCFGSYZOVCM-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n(C2CCC2)n1 ZINC001259412866 1316239364 /nfs/dbraw/zinc/23/93/64/1316239364.db2.gz KXLVSQADTJBXPX-UHFFFAOYSA-N -1 0 334.376 2.728 20 30 EFEDRM Cc1nc2c([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cccn2c1C ZINC001259413705 1316239986 /nfs/dbraw/zinc/23/99/86/1316239986.db2.gz WZEGSWDDNOCTAH-UHFFFAOYSA-N -1 0 344.371 2.763 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c(O)c1 ZINC001259431759 1316242464 /nfs/dbraw/zinc/24/24/64/1316242464.db2.gz VRMRUSKZTWOUGB-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cnc1C#N ZINC001259466490 1316246856 /nfs/dbraw/zinc/24/68/56/1316246856.db2.gz IGXHGSRHYKYURM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259466698 1316246953 /nfs/dbraw/zinc/24/69/53/1316246953.db2.gz SZQUWJXAFJRHIB-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC001259480559 1316249392 /nfs/dbraw/zinc/24/93/92/1316249392.db2.gz HVOSSFIJBWMQCU-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C#N ZINC001259500756 1316252263 /nfs/dbraw/zinc/25/22/63/1316252263.db2.gz DQPBLHORTMVSIH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)c(C#N)c1 ZINC001259524869 1316256661 /nfs/dbraw/zinc/25/66/61/1316256661.db2.gz NHAKFATULFQQQX-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC001259637649 1316265552 /nfs/dbraw/zinc/26/55/52/1316265552.db2.gz KOUVACWYMDEDQZ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2F)ccc1C#N ZINC001259638363 1316265771 /nfs/dbraw/zinc/26/57/71/1316265771.db2.gz DBXDAKAFRGWQBZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(C#N)c1 ZINC001259774015 1316276476 /nfs/dbraw/zinc/27/64/76/1316276476.db2.gz BCWVVZCAZUIILR-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(C#N)c1 ZINC001259785499 1316277989 /nfs/dbraw/zinc/27/79/89/1316277989.db2.gz CAFUZKGVZPXDJH-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)CCc2ccccc2F)c1C#N ZINC001259786681 1316278403 /nfs/dbraw/zinc/27/84/03/1316278403.db2.gz JKYRNXXGKLPAKH-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C(F)(F)F)cn1 ZINC001259837886 1316285217 /nfs/dbraw/zinc/28/52/17/1316285217.db2.gz JILDCFBVUNZETF-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cccc(C#C[Si](C)(C)C)c2)cn1 ZINC001259839488 1316285615 /nfs/dbraw/zinc/28/56/15/1316285615.db2.gz FPEMKDIKHHRDCP-UHFFFAOYSA-N -1 0 347.516 2.933 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2cnn(CC)c2)cc(CC)c1C#N ZINC001259839026 1316285726 /nfs/dbraw/zinc/28/57/26/1316285726.db2.gz WGXBJDAATRXKCF-UHFFFAOYSA-N -1 0 332.429 2.700 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C#N)c1C ZINC001259843685 1316286388 /nfs/dbraw/zinc/28/63/88/1316286388.db2.gz BFPOVTXJDMJHIH-UHFFFAOYSA-N -1 0 336.394 2.766 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259843723 1316286425 /nfs/dbraw/zinc/28/64/25/1316286425.db2.gz BYWXDIODNABVNK-UHFFFAOYSA-N -1 0 347.396 2.644 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)CCC(F)(F)F)c1C#N ZINC001259867302 1316289814 /nfs/dbraw/zinc/28/98/14/1316289814.db2.gz QOHQQVNUROGFKM-UHFFFAOYSA-N -1 0 327.715 2.609 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]c1cc(Br)cc(F)c1C#N ZINC001259885564 1316292671 /nfs/dbraw/zinc/29/26/71/1316292671.db2.gz GFYDBAGDMOZNAJ-UHFFFAOYSA-N -1 0 335.198 2.858 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1 ZINC001259900334 1316294988 /nfs/dbraw/zinc/29/49/88/1316294988.db2.gz QDIINBKFTICLFN-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001259922244 1316298240 /nfs/dbraw/zinc/29/82/40/1316298240.db2.gz VGXNAGBQBBGYFO-UHFFFAOYSA-N -1 0 330.312 2.871 20 30 EFEDRM C=CCS(=O)(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001259934326 1316299595 /nfs/dbraw/zinc/29/95/95/1316299595.db2.gz NBYJDURGHVQCCY-HNNXBMFYSA-N -1 0 327.833 2.784 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C#N)c1 ZINC001260010462 1316306124 /nfs/dbraw/zinc/30/61/24/1316306124.db2.gz JFGRXTKGTOPMQU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)ccc1C#N ZINC001260010615 1316306160 /nfs/dbraw/zinc/30/61/60/1316306160.db2.gz GEPUZEVNVXALQT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)o1 ZINC001260027886 1316308647 /nfs/dbraw/zinc/30/86/47/1316308647.db2.gz MPAAFZVBQKONAS-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3nsnc32)cc1 ZINC001260037536 1316309583 /nfs/dbraw/zinc/30/95/83/1316309583.db2.gz RZIUIZYTEWVBLQ-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3nnsc32)cc1 ZINC001260045366 1316310862 /nfs/dbraw/zinc/31/08/62/1316310862.db2.gz OEYQKOADIZYHQP-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1 ZINC001260045248 1316310898 /nfs/dbraw/zinc/31/08/98/1316310898.db2.gz IXSBIIDJKUCLCZ-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C#N ZINC001260046032 1316310962 /nfs/dbraw/zinc/31/09/62/1316310962.db2.gz ZFAWSBMOCZEXDJ-UHFFFAOYSA-N -1 0 325.393 2.989 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3snnc32)cc1 ZINC001260045371 1316311129 /nfs/dbraw/zinc/31/11/29/1316311129.db2.gz OHQQPTDIHFKQMY-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N ZINC001260112397 1316317024 /nfs/dbraw/zinc/31/70/24/1316317024.db2.gz HFXOQGIFVPZROZ-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1C#N ZINC001260127829 1316317423 /nfs/dbraw/zinc/31/74/23/1316317423.db2.gz FDPOZALUOVXMHX-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)o1 ZINC001260129531 1316317731 /nfs/dbraw/zinc/31/77/31/1316317731.db2.gz KMIVRFCPUIFHSB-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C#N)nc1C ZINC001260129607 1316317867 /nfs/dbraw/zinc/31/78/67/1316317867.db2.gz OEOUNUGHUBUIGR-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM C=C(C)c1ccccc1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001260175052 1316320381 /nfs/dbraw/zinc/32/03/81/1316320381.db2.gz YYAIAAQEOURSQL-UHFFFAOYSA-N -1 0 349.803 2.612 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260196689 1316322710 /nfs/dbraw/zinc/32/27/10/1316322710.db2.gz FMCFWXGLXLWSTE-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260203697 1316323847 /nfs/dbraw/zinc/32/38/47/1316323847.db2.gz SLINDEMYHDEFOR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227328 1316324122 /nfs/dbraw/zinc/32/41/22/1316324122.db2.gz BVSXEJYRZVWSTB-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260278143 1316327789 /nfs/dbraw/zinc/32/77/89/1316327789.db2.gz PASDBBKTBXWLBJ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)cnc1C#N ZINC001260278478 1316327939 /nfs/dbraw/zinc/32/79/39/1316327939.db2.gz INWADVCCFWOALO-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(C#N)c1 ZINC001260296755 1316329889 /nfs/dbraw/zinc/32/98/89/1316329889.db2.gz FLMNTJUTEODDAO-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2OC)ccc1C#N ZINC001260297456 1316329931 /nfs/dbraw/zinc/32/99/31/1316329931.db2.gz GCRJZCYWPIMGOS-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1 ZINC001260297789 1316330549 /nfs/dbraw/zinc/33/05/49/1316330549.db2.gz ZGFMYNVVJNCLLT-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3nsnc32)s1 ZINC001260382888 1316336079 /nfs/dbraw/zinc/33/60/79/1316336079.db2.gz IYFPHGUCJYTVJT-UHFFFAOYSA-N -1 0 336.423 2.734 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1F ZINC001260388907 1316337149 /nfs/dbraw/zinc/33/71/49/1316337149.db2.gz ICELLZRQDDUOSI-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3nonc32)cc1C#N ZINC001260442813 1316338740 /nfs/dbraw/zinc/33/87/40/1316338740.db2.gz PEZGFXSROPAOMP-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cs1 ZINC001260447929 1316339424 /nfs/dbraw/zinc/33/94/24/1316339424.db2.gz AMXLBRFEXMGUCX-UHFFFAOYSA-N -1 0 332.362 2.527 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260452759 1316339773 /nfs/dbraw/zinc/33/97/73/1316339773.db2.gz URKRDMMNVLAFSY-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC001260466485 1316340619 /nfs/dbraw/zinc/34/06/19/1316340619.db2.gz ZFXAMHGRDZGRSF-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260466506 1316340776 /nfs/dbraw/zinc/34/07/76/1316340776.db2.gz AATGGIIQTWWLRN-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260495756 1316342094 /nfs/dbraw/zinc/34/20/94/1316342094.db2.gz OPMIERRUGBPILJ-UHFFFAOYSA-N -1 0 342.298 2.762 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)o1 ZINC001260496193 1316342185 /nfs/dbraw/zinc/34/21/85/1316342185.db2.gz PBZUAGNCDPTZGP-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2C#N)cn1C ZINC001260547590 1316344974 /nfs/dbraw/zinc/34/49/74/1316344974.db2.gz YZAILKAGDMUUGA-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(C#C[Si](C)(C)C)cc2)cn1C ZINC001260548051 1316345084 /nfs/dbraw/zinc/34/50/84/1316345084.db2.gz NHCUKZAEXGSGIW-UHFFFAOYSA-N -1 0 347.516 2.758 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260627854 1316350386 /nfs/dbraw/zinc/35/03/86/1316350386.db2.gz ZLJDDEBNVWEJHM-UHFFFAOYSA-N -1 0 329.356 2.819 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1C ZINC001260638385 1316352046 /nfs/dbraw/zinc/35/20/46/1316352046.db2.gz GQQJOIXIYXUWNB-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1C ZINC001260639127 1316352265 /nfs/dbraw/zinc/35/22/65/1316352265.db2.gz RITHOPAHPZSUFU-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1sc(C)cc1C#N ZINC001260643839 1316353104 /nfs/dbraw/zinc/35/31/04/1316353104.db2.gz PEQFHBKWZQVKRN-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC001260649363 1316354066 /nfs/dbraw/zinc/35/40/66/1316354066.db2.gz WXPAOPQAGSZPAZ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1 ZINC001260651366 1316354403 /nfs/dbraw/zinc/35/44/03/1316354403.db2.gz YQDAKKOJYFUUJJ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)cc1F ZINC001260656852 1316355483 /nfs/dbraw/zinc/35/54/83/1316355483.db2.gz XJVHRXSUQMEHKL-UHFFFAOYSA-N -1 0 349.387 2.831 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)s2)c(C#N)c1 ZINC001260686032 1316358698 /nfs/dbraw/zinc/35/86/98/1316358698.db2.gz ZLEDIHRSAUWHCA-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC001260712120 1316361440 /nfs/dbraw/zinc/36/14/40/1316361440.db2.gz CAWRQPAWMVOULO-UHFFFAOYSA-N -1 0 342.420 2.967 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)nc3)ccc2O1 ZINC001260713119 1316361879 /nfs/dbraw/zinc/36/18/79/1316361879.db2.gz QWWKWGOKISPXGH-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ncccc3C#N)ccc2O1 ZINC001260713161 1316361905 /nfs/dbraw/zinc/36/19/05/1316361905.db2.gz WOGQYQGQZSTXQL-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cncc(C#N)c1 ZINC001260778553 1316368060 /nfs/dbraw/zinc/36/80/60/1316368060.db2.gz AFODQEFVFROZIA-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001260803375 1316369537 /nfs/dbraw/zinc/36/95/37/1316369537.db2.gz GFTLGQLCASTIFS-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM N#Cc1cncc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260869003 1316374700 /nfs/dbraw/zinc/37/47/00/1316374700.db2.gz WDHADZDAAITNDC-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260879024 1316375212 /nfs/dbraw/zinc/37/52/12/1316375212.db2.gz VLLOGRNIMLBLRK-GFCCVEGCSA-N -1 0 337.228 2.916 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C#N)cc1Cl ZINC001260968557 1316379163 /nfs/dbraw/zinc/37/91/63/1316379163.db2.gz CIFPEELQRFLVFH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)cc1Cl ZINC001260973875 1316379550 /nfs/dbraw/zinc/37/95/50/1316379550.db2.gz PYDPSVBCTKKGLY-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1C#N ZINC001261004454 1316383937 /nfs/dbraw/zinc/38/39/37/1316383937.db2.gz IXZGBEAUMJPEAQ-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)o1 ZINC001261005427 1316384163 /nfs/dbraw/zinc/38/41/63/1316384163.db2.gz NEXPKEBDEREUNO-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001261015449 1316384971 /nfs/dbraw/zinc/38/49/71/1316384971.db2.gz VCWKQCBAEMDZMR-UHFFFAOYSA-N -1 0 335.238 2.505 20 30 EFEDRM COC(=O)c1sc(Cl)cc1S(=O)(=O)NCC#CC(C)(C)C ZINC001261064372 1316387261 /nfs/dbraw/zinc/38/72/61/1316387261.db2.gz YJZKXNSNECGCSE-UHFFFAOYSA-N -1 0 349.861 2.516 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261066397 1316387432 /nfs/dbraw/zinc/38/74/32/1316387432.db2.gz USOJTDHMSJIVPS-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261066400 1316387566 /nfs/dbraw/zinc/38/75/66/1316387566.db2.gz UVAVUFZTXCKYSP-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3ccccc3n2CC)CC1 ZINC001261204854 1316396564 /nfs/dbraw/zinc/39/65/64/1316396564.db2.gz HGYPNVGYOZYIHL-UHFFFAOYSA-N -1 0 332.425 2.830 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1ccncc1 ZINC001263138039 1316518019 /nfs/dbraw/zinc/51/80/19/1316518019.db2.gz ARPUOBUYJMJMFI-INIZCTEOSA-N -1 0 347.374 2.980 20 30 EFEDRM N#Cc1cc(-c2nnc(N3CCCC3)n2Cc2ccccc2)c[n-]c1=O ZINC001263157725 1316519158 /nfs/dbraw/zinc/51/91/58/1316519158.db2.gz HMZHZMSPGAHPJS-UHFFFAOYSA-N -1 0 346.394 2.566 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c(C)n1CC1CC1 ZINC001263291755 1316528387 /nfs/dbraw/zinc/52/83/87/1316528387.db2.gz HMEDJHNSFQNFMC-KRWDZBQOSA-N -1 0 327.428 2.896 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263323636 1316530674 /nfs/dbraw/zinc/53/06/74/1316530674.db2.gz VOMPYHARRIMWKG-WDEREUQCSA-N -1 0 335.433 2.545 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001263323594 1316530771 /nfs/dbraw/zinc/53/07/71/1316530771.db2.gz USIZDRIUEXNHPV-LBPRGKRZSA-N -1 0 341.371 2.802 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C[C@@H](C)CC ZINC001263344537 1316534812 /nfs/dbraw/zinc/53/48/12/1316534812.db2.gz JHEOFAMGBXJJPP-ZDUSSCGKSA-N -1 0 332.452 2.926 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)n1 ZINC001263375416 1316538929 /nfs/dbraw/zinc/53/89/29/1316538929.db2.gz OPHAXJOHDGURRK-AWEZNQCLSA-N -1 0 326.400 2.662 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001263375633 1316538940 /nfs/dbraw/zinc/53/89/40/1316538940.db2.gz ULULMSZUSBMVAG-ZDUSSCGKSA-N -1 0 334.383 2.654 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1Cc1ccco1 ZINC001263374818 1316538946 /nfs/dbraw/zinc/53/89/46/1316538946.db2.gz WJZCBUAEPYRNGU-QGZVFWFLSA-N -1 0 339.395 2.691 20 30 EFEDRM COc1nc(Cl)c(/C=C\C(=O)c2cc(F)cc(F)c2[O-])n1C ZINC001319075142 1328775731 /nfs/dbraw/zinc/77/57/31/1328775731.db2.gz MVEJVXFBGNTHCD-ARJAWSKDSA-N -1 0 328.702 2.962 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC#Cc2ccccc2)n1 ZINC001319332676 1328855268 /nfs/dbraw/zinc/85/52/68/1328855268.db2.gz GEJRVNGQNNSVHR-OAHLLOKOSA-N -1 0 338.388 2.613 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([S@@](C)=O)cc1 ZINC001320212868 1329104589 /nfs/dbraw/zinc/10/45/89/1329104589.db2.gz UAHPZZHVTLLHJR-HSZRJFAPSA-N -1 0 332.381 2.577 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cccc(-n2nc(C)cc2C)c1)C(=O)[O-] ZINC001321145770 1329349031 /nfs/dbraw/zinc/34/90/31/1329349031.db2.gz ZDECSKGIVCZTEI-HNNXBMFYSA-N -1 0 328.372 2.640 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OCCC(C)C)c(OC)c1)C(=O)[O-] ZINC001321202876 1329355945 /nfs/dbraw/zinc/35/59/45/1329355945.db2.gz GGYOVQAYGBFZQM-CQSZACIVSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1ccc(Br)c(C)c1)C(=O)[O-] ZINC001321206217 1329356527 /nfs/dbraw/zinc/35/65/27/1329356527.db2.gz KFBQBCDQLPVKDW-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C=CC[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)[O-] ZINC001321339927 1329375100 /nfs/dbraw/zinc/37/51/00/1329375100.db2.gz SPWGVXHDRXNHFR-GFCCVEGCSA-N -1 0 340.217 2.872 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC001321340475 1329375147 /nfs/dbraw/zinc/37/51/47/1329375147.db2.gz WVZHYQYLUULOJM-SNVBAGLBSA-N -1 0 332.219 2.589 20 30 EFEDRM C=CC[C@H](NC(=O)c1cncc(-c2ccc(OC)cc2)c1)C(=O)[O-] ZINC001321657051 1329401386 /nfs/dbraw/zinc/40/13/86/1329401386.db2.gz BAPJMQDLAMCHSA-INIZCTEOSA-N -1 0 326.352 2.516 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC001321658200 1329401563 /nfs/dbraw/zinc/40/15/63/1329401563.db2.gz QPWYYAILYAFVFO-LLVKDONJSA-N -1 0 340.301 2.956 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC001321657402 1329401576 /nfs/dbraw/zinc/40/15/76/1329401576.db2.gz GTEHJONTIDWYLP-KGLIPLIRSA-N -1 0 325.792 2.889 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC001321658033 1329401667 /nfs/dbraw/zinc/40/16/67/1329401667.db2.gz MNTYEKOHPJNANP-HNNXBMFYSA-N -1 0 325.368 2.509 20 30 EFEDRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2C#N)C1(C)C ZINC001321707337 1329404283 /nfs/dbraw/zinc/40/42/83/1329404283.db2.gz ZPKJLSPADPDKBW-UKRRQHHQSA-N -1 0 332.425 2.602 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC001318058072 1328484442 /nfs/dbraw/zinc/48/44/42/1328484442.db2.gz RXAVCRQWOINYRK-ZRDIBKRKSA-N -1 0 344.367 2.606 20 30 EFEDRM C=CCCOCC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001321995092 1329421194 /nfs/dbraw/zinc/42/11/94/1329421194.db2.gz NSZNTFQFCQPFOV-UHFFFAOYSA-N -1 0 335.429 2.728 20 30 EFEDRM COc1cc(O)ccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001322000268 1329421829 /nfs/dbraw/zinc/42/18/29/1329421829.db2.gz IUZSULZSFZHPNK-VURMDHGXSA-N -1 0 328.320 2.760 20 30 EFEDRM CS(=O)(=O)[N-]c1ccccc1-c1nnc(-c2cccc(C#N)c2)o1 ZINC001322412339 1329456771 /nfs/dbraw/zinc/45/67/71/1329456771.db2.gz YEFOMODAUVBMLE-UHFFFAOYSA-N -1 0 340.364 2.647 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)C(=O)[O-] ZINC001322603079 1329471400 /nfs/dbraw/zinc/47/14/00/1329471400.db2.gz WCZUMQVNZHCXRE-KRWDZBQOSA-N -1 0 340.379 2.728 20 30 EFEDRM C=CC[C@H](NC(=O)c1sc(Cc2ccccc2)nc1C)C(=O)[O-] ZINC001322603255 1329471457 /nfs/dbraw/zinc/47/14/57/1329471457.db2.gz YFYHBPXOALFMOK-ZDUSSCGKSA-N -1 0 330.409 2.801 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C(=O)[O-] ZINC001322602027 1329471623 /nfs/dbraw/zinc/47/16/23/1329471623.db2.gz SVJLQLQLCPMGSS-CYBMUJFWSA-N -1 0 338.791 2.694 20 30 EFEDRM C=C[C@@H](COC)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC001324043259 1329593472 /nfs/dbraw/zinc/59/34/72/1329593472.db2.gz TTZIKJACSIASGX-AWEZNQCLSA-N -1 0 329.400 2.632 20 30 EFEDRM CS(=O)(=O)[N-]c1ccccc1-c1nnc(-c2ccc(C#N)cc2)o1 ZINC001324100118 1329599913 /nfs/dbraw/zinc/59/99/13/1329599913.db2.gz LIMSZDFEVDXTGJ-UHFFFAOYSA-N -1 0 340.364 2.647 20 30 EFEDRM C=CC[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001325142690 1329673038 /nfs/dbraw/zinc/67/30/38/1329673038.db2.gz HARXJRONWTVNSL-AWEZNQCLSA-N -1 0 346.408 2.720 20 30 EFEDRM C=CC[C@H](NC(=O)C(C)(C)c1ccc(OCC)c(OCC)c1)C(=O)[O-] ZINC001325145383 1329673258 /nfs/dbraw/zinc/67/32/58/1329673258.db2.gz JHFXCMUXVXBMKW-AWEZNQCLSA-N -1 0 349.427 2.907 20 30 EFEDRM C=CC[C@H](NC(=O)c1csc(Cc2cccc(F)c2)n1)C(=O)[O-] ZINC001325144260 1329673346 /nfs/dbraw/zinc/67/33/46/1329673346.db2.gz QRIOQWCAVMKKBT-LBPRGKRZSA-N -1 0 334.372 2.632 20 30 EFEDRM CC#CCCNC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001325809119 1329714000 /nfs/dbraw/zinc/71/40/00/1329714000.db2.gz YJKHPJNPYDHAOC-UHFFFAOYSA-N -1 0 332.429 2.732 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC001326930561 1330385992 /nfs/dbraw/zinc/38/59/92/1330385992.db2.gz LEYNCIHEHAXZEF-AAEUAGOBSA-N -1 0 340.807 2.826 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCSc1ccc(F)cc1)C(=O)[O-] ZINC001326931708 1330386045 /nfs/dbraw/zinc/38/60/45/1330386045.db2.gz VAYUUHHLLUQEIQ-ZDUSSCGKSA-N -1 0 326.393 2.636 20 30 EFEDRM Nc1cnnc(N=NC2CCCc3cc(C(=O)[O-])ccc32)c1Cl ZINC001327800069 1330517233 /nfs/dbraw/zinc/51/72/33/1330517233.db2.gz HCFBRYWBLQKVEY-UHFFFAOYSA-N -1 0 331.763 2.563 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC001328170674 1330564783 /nfs/dbraw/zinc/56/47/83/1330564783.db2.gz RSJSAPXZJARGMW-OAHLLOKOSA-N -1 0 329.400 2.601 20 30 EFEDRM C#CCN(CC1CC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001328653861 1330612228 /nfs/dbraw/zinc/61/22/28/1330612228.db2.gz VAEBTYGPWJSZNS-UHFFFAOYSA-N -1 0 329.787 2.717 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cccnc2N(C)C)cc1CC(=O)[O-] ZINC001328934843 1330648066 /nfs/dbraw/zinc/64/80/66/1330648066.db2.gz LPPXSXHAFZCKNN-SOFGYWHQSA-N -1 0 340.379 2.679 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cc(Br)ccc1C)C(=O)[O-] ZINC001329229543 1330683361 /nfs/dbraw/zinc/68/33/61/1330683361.db2.gz CSFIACWBIXZWDE-LBPRGKRZSA-N -1 0 341.205 2.586 20 30 EFEDRM CC1(C)C[C@@H](NN=Cc2cccc(OCCC(=O)[O-])c2)C(C)(C)O1 ZINC001332009360 1330903918 /nfs/dbraw/zinc/90/39/18/1330903918.db2.gz HFUJVZCOPXCSCW-OAHLLOKOSA-N -1 0 334.416 2.810 20 30 EFEDRM C=CC[C@H](C(=O)NCc1c(C)nn(CC(=O)[O-])c1C)c1ccccc1 ZINC001332137361 1330926455 /nfs/dbraw/zinc/92/64/55/1330926455.db2.gz VXSHAQQEQBYLLU-INIZCTEOSA-N -1 0 341.411 2.561 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC001332606397 1330989779 /nfs/dbraw/zinc/98/97/79/1330989779.db2.gz DNVCVUMXROFHCZ-UHFFFAOYSA-N -1 0 335.857 2.629 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332614314 1330990138 /nfs/dbraw/zinc/99/01/38/1330990138.db2.gz WOCBHSYWZHTOMF-JOYOIKCWSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC001333331529 1331119705 /nfs/dbraw/zinc/11/97/05/1331119705.db2.gz BBBGHRMFXMNFNA-GXFFZTMASA-N -1 0 340.217 2.773 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC001333331531 1331119738 /nfs/dbraw/zinc/11/97/38/1331119738.db2.gz BBBGHRMFXMNFNA-MFKMUULPSA-N -1 0 340.217 2.773 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(C)c(Br)c1)C(=O)[O-] ZINC001335825396 1331406875 /nfs/dbraw/zinc/40/68/75/1331406875.db2.gz VFQZULZMPICCTA-GFCCVEGCSA-N -1 0 341.205 2.586 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001338302068 1331687889 /nfs/dbraw/zinc/68/78/89/1331687889.db2.gz MOEBQSJCGKVEKT-UHFFFAOYSA-N -1 0 326.377 2.565 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H](C)CC1 ZINC001338694731 1331726447 /nfs/dbraw/zinc/72/64/47/1331726447.db2.gz YTNUHDONWIEEBS-CYBMUJFWSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@H]1CC ZINC001338851861 1331747360 /nfs/dbraw/zinc/74/73/60/1331747360.db2.gz OJAZKJYEUHHWJZ-CHWSQXEVSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N1CCC[C@H](C)C1 ZINC001338862247 1331749141 /nfs/dbraw/zinc/74/91/41/1331749141.db2.gz CKNSOYYZSJQXMJ-LBPRGKRZSA-N -1 0 340.431 2.740 20 30 EFEDRM CN(c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C)[C@H]1CCc2ccccc21 ZINC001339551807 1331896077 /nfs/dbraw/zinc/89/60/77/1331896077.db2.gz HEHPKGGVKOLKCD-INIZCTEOSA-N -1 0 346.394 2.578 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001339814750 1332104402 /nfs/dbraw/zinc/10/44/02/1332104402.db2.gz MIXVVZGTWKXJJU-AVGNSLFASA-N -1 0 338.415 2.584 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001339814752 1332104405 /nfs/dbraw/zinc/10/44/05/1332104405.db2.gz MIXVVZGTWKXJJU-XQQFMLRXSA-N -1 0 338.415 2.584 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001340206896 1332154211 /nfs/dbraw/zinc/15/42/11/1332154211.db2.gz FAKLZJDGGMJFIY-XQQFMLRXSA-N -1 0 330.436 2.534 20 30 EFEDRM COCCN(C)N=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001340939034 1332221445 /nfs/dbraw/zinc/22/14/45/1332221445.db2.gz PWCNFEQEGQCSAH-UHFFFAOYSA-N -1 0 342.395 2.876 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]1CCC ZINC001342026873 1332296495 /nfs/dbraw/zinc/29/64/95/1332296495.db2.gz RPHHJJSHMIJMTB-ZDUSSCGKSA-N -1 0 330.436 2.822 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001342966971 1332337378 /nfs/dbraw/zinc/33/73/78/1332337378.db2.gz ONTGBCFVYSXKDL-LBPRGKRZSA-N -1 0 331.372 2.804 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001343509521 1332352821 /nfs/dbraw/zinc/35/28/21/1332352821.db2.gz PBLDJBPLYRRCEX-QWHCGFSZSA-N -1 0 338.415 2.728 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c2occc21 ZINC001343564569 1332358194 /nfs/dbraw/zinc/35/81/94/1332358194.db2.gz YOLGMRZIFWXMRD-AWEZNQCLSA-N -1 0 346.358 2.826 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@H](C)C1 ZINC001343599001 1332361371 /nfs/dbraw/zinc/36/13/71/1332361371.db2.gz IROIGXKZCQUSAF-ZDUSSCGKSA-N -1 0 338.415 2.730 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1)C(=O)[O-] ZINC001344466037 1332455817 /nfs/dbraw/zinc/45/58/17/1332455817.db2.gz WOJOTNNMYOOLJG-AWEZNQCLSA-N -1 0 346.362 2.779 20 30 EFEDRM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1nc(N)c2ccccc2n1 ZINC001344542021 1332462478 /nfs/dbraw/zinc/46/24/78/1332462478.db2.gz NVJZCKREBXOGMV-HNNXBMFYSA-N -1 0 342.358 2.864 20 30 EFEDRM Cc1ccn(-c2cccc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2)n1 ZINC001344568893 1332463710 /nfs/dbraw/zinc/46/37/10/1332463710.db2.gz KFCOFRUTUQAFHK-KRWDZBQOSA-N -1 0 336.395 2.562 20 30 EFEDRM CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001344572926 1332463718 /nfs/dbraw/zinc/46/37/18/1332463718.db2.gz ZBGSZVFQDVRGAB-GOEBONIOSA-N -1 0 338.411 2.801 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C3CCC3)c2)c1 ZINC001344868756 1332489396 /nfs/dbraw/zinc/48/93/96/1332489396.db2.gz GAGYKVDEOVBUNW-KRWDZBQOSA-N -1 0 336.395 2.555 20 30 EFEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)ccc21 ZINC001346065733 1332596082 /nfs/dbraw/zinc/59/60/82/1332596082.db2.gz WVOMRXXYFSECCK-CYBMUJFWSA-N -1 0 342.362 2.589 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2 ZINC001346199382 1332610543 /nfs/dbraw/zinc/61/05/43/1332610543.db2.gz UXJRJKUTBKJSBU-QGZVFWFLSA-N -1 0 328.412 2.778 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@@H](C)CC ZINC001346248739 1332617812 /nfs/dbraw/zinc/61/78/12/1332617812.db2.gz PREXUVUXAMZIQK-ZDUSSCGKSA-N -1 0 340.431 2.976 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)C(=O)[O-] ZINC001346313649 1332625087 /nfs/dbraw/zinc/62/50/87/1332625087.db2.gz YQTREKGPEMLCIR-IAGOWNOFSA-N -1 0 348.418 2.716 20 30 EFEDRM Cn1nc2c(c1C([O-])=C(C#N)c1nc(-c3ccncc3)cs1)CCC2 ZINC001346797543 1332690427 /nfs/dbraw/zinc/69/04/27/1332690427.db2.gz NWJUSOPFIAFNSJ-ZDUSSCGKSA-N -1 0 349.419 2.917 20 30 EFEDRM C[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)CNC(=O)OC(C)(C)C ZINC001349824198 1333002355 /nfs/dbraw/zinc/00/23/55/1333002355.db2.gz PWZQAKHOPXLGIU-LBPRGKRZSA-N -1 0 335.404 2.872 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2C)CC1 ZINC001350252945 1333053719 /nfs/dbraw/zinc/05/37/19/1333053719.db2.gz UWFORZUJEDTDPE-UHFFFAOYSA-N -1 0 325.405 2.827 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC001350323196 1333064433 /nfs/dbraw/zinc/06/44/33/1333064433.db2.gz OUFGNLRSVSABRR-GFCCVEGCSA-N -1 0 326.190 2.825 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(C)(C)CC1 ZINC001351544251 1333247838 /nfs/dbraw/zinc/24/78/38/1333247838.db2.gz NOJNTWVAGSHXTA-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC=C(C)C1 ZINC001351790043 1333286920 /nfs/dbraw/zinc/28/69/20/1333286920.db2.gz OOXXNUQXBBATHJ-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC000847534040 1333857716 /nfs/dbraw/zinc/85/77/16/1333857716.db2.gz ODELEQCYDKHCPD-UHFFFAOYSA-N -1 0 338.379 2.813 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1 ZINC000847623108 1334019094 /nfs/dbraw/zinc/01/90/94/1334019094.db2.gz WTWLGLDLBOXJRN-QGZVFWFLSA-N -1 0 328.412 2.818 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-] ZINC001354295064 1334216886 /nfs/dbraw/zinc/21/68/86/1334216886.db2.gz WPVJXWVAQMFVRZ-QWHCGFSZSA-N -1 0 336.363 2.756 20 30 EFEDRM N#Cc1cc(NC(=S)NCc2ccc3c(c2)OCO3)c([O-])cc1F ZINC001200735413 1334429865 /nfs/dbraw/zinc/42/98/65/1334429865.db2.gz KDLKIOFJMJYSMC-UHFFFAOYSA-N -1 0 345.355 2.618 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(C)CC=CC3)cc2[n-]c1=S ZINC000848269127 1334545493 /nfs/dbraw/zinc/54/54/93/1334545493.db2.gz SBLNOTSGTPZGCS-UHFFFAOYSA-N -1 0 341.436 2.710 20 30 EFEDRM COCCn1c(C)cc(C=NNc2ccc(CC(=O)[O-])cc2)c1C ZINC000848415233 1334712359 /nfs/dbraw/zinc/71/23/59/1334712359.db2.gz JTRJLNBNGCGQML-UHFFFAOYSA-N -1 0 329.400 2.824 20 30 EFEDRM COCCOCc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC000848414970 1334712601 /nfs/dbraw/zinc/71/26/01/1334712601.db2.gz UPZQORRBWQFXKR-UHFFFAOYSA-N -1 0 342.395 2.923 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC(F)CC1 ZINC001356008381 1334930771 /nfs/dbraw/zinc/93/07/71/1334930771.db2.gz ZPTIZBCXZOVIAB-UHFFFAOYSA-N -1 0 347.350 2.683 20 30 EFEDRM CCc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC001356264798 1335005322 /nfs/dbraw/zinc/00/53/22/1335005322.db2.gz GGQPMMNXBNYMRQ-ZDUSSCGKSA-N -1 0 335.201 2.613 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000848951254 1335006117 /nfs/dbraw/zinc/00/61/17/1335006117.db2.gz XTCZGXZNVDWPGK-QFYYESIMSA-N -1 0 338.791 2.645 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)Cc1cccc(C)c1 ZINC001356341452 1335022611 /nfs/dbraw/zinc/02/26/11/1335022611.db2.gz WYKKXROOGFVXDM-UHFFFAOYSA-N -1 0 348.410 2.882 20 30 EFEDRM COc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001356349145 1335023601 /nfs/dbraw/zinc/02/36/01/1335023601.db2.gz IMVSGDOMANDOSX-VIFPVBQESA-N -1 0 345.309 2.664 20 30 EFEDRM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC)C1 ZINC001356600927 1335061302 /nfs/dbraw/zinc/06/13/02/1335061302.db2.gz FAOQVSDNBNHPLH-CYBMUJFWSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCN(CC=C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC(C)C ZINC001358057599 1335358281 /nfs/dbraw/zinc/35/82/81/1335358281.db2.gz NAOPMIVJVZIPKR-UHFFFAOYSA-N -1 0 338.415 2.752 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)n1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000849149891 1335559488 /nfs/dbraw/zinc/55/94/88/1335559488.db2.gz HPDXUWIEEFQGHL-AWEZNQCLSA-N -1 0 338.333 2.817 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cn(C3CCC3)nn2)cc1CC(=O)[O-] ZINC000849242598 1335575492 /nfs/dbraw/zinc/57/54/92/1335575492.db2.gz IXDJNEDYANKPRB-SREVYHEPSA-N -1 0 341.367 2.535 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)cc1CC(=O)[O-] ZINC000849242531 1335575592 /nfs/dbraw/zinc/57/55/92/1335575592.db2.gz GZTAAOSXCSIGBY-WAYWQWQTSA-N -1 0 340.379 2.825 20 30 EFEDRM C=CCCn1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)nn1 ZINC000849244210 1335575887 /nfs/dbraw/zinc/57/58/87/1335575887.db2.gz VVFSQBMAANLHNX-DHZHZOJOSA-N -1 0 327.340 2.666 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)cc1CC(=O)[O-] ZINC000849243371 1335575928 /nfs/dbraw/zinc/57/59/28/1335575928.db2.gz SEEBMESLXNQLRH-VOTSOKGWSA-N -1 0 340.379 2.829 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000150076714 1335942445 /nfs/dbraw/zinc/94/24/45/1335942445.db2.gz VCSZEYAHPVZNHY-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CC[C@H](NC(=O)CSc1ccc(Br)cc1)C(=O)[O-] ZINC000150244286 1335944334 /nfs/dbraw/zinc/94/43/34/1335944334.db2.gz ROICGLUCPVCFAF-NSHDSACASA-N -1 0 344.230 2.687 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCSc3ccncc32)cc1C#N ZINC001361370666 1336032659 /nfs/dbraw/zinc/03/26/59/1336032659.db2.gz BSCXMIIASQCITO-UHFFFAOYSA-N -1 0 344.421 2.528 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C#N)c(F)cc2F)cc1C#N ZINC001361858422 1336379715 /nfs/dbraw/zinc/37/97/15/1336379715.db2.gz LTKYEAMMTLHWCI-UHFFFAOYSA-N -1 0 346.318 2.783 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C(C)C)ns2)cc1C#N ZINC001361946054 1336431432 /nfs/dbraw/zinc/43/14/32/1336431432.db2.gz ORNALOPVENWKSS-UHFFFAOYSA-N -1 0 335.414 2.608 20 30 EFEDRM COc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1OC ZINC001361957423 1336437869 /nfs/dbraw/zinc/43/78/69/1336437869.db2.gz JKQXBONRCSVHEZ-UHFFFAOYSA-N -1 0 345.380 2.650 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nccc(C(C)(C)C)n2)cc1C#N ZINC001361964470 1336441908 /nfs/dbraw/zinc/44/19/08/1336441908.db2.gz GORWNIHTBPXNFB-UHFFFAOYSA-N -1 0 343.412 2.721 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nnn[n-]1 ZINC001362148541 1336525494 /nfs/dbraw/zinc/52/54/94/1336525494.db2.gz DCGJHIPRPHTMDH-NSHDSACASA-N -1 0 330.417 2.555 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@@](C)(C#N)C3)n2)c1 ZINC001362207145 1336553492 /nfs/dbraw/zinc/55/34/92/1336553492.db2.gz SKKBCWWWXMPSOR-SFHVURJKSA-N -1 0 342.374 2.791 20 30 EFEDRM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)nc1 ZINC001362506881 1336638157 /nfs/dbraw/zinc/63/81/57/1336638157.db2.gz YPQCYHPCTLHTAW-ZDUSSCGKSA-N -1 0 343.770 2.606 20 30 EFEDRM Cc1cc(Cl)c(C(C)C)cc1Oc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001363733761 1337017034 /nfs/dbraw/zinc/01/70/34/1337017034.db2.gz FPDMZZLZXKHSCH-UHFFFAOYSA-N -1 0 333.775 2.823 20 30 EFEDRM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001363982909 1337136065 /nfs/dbraw/zinc/13/60/65/1337136065.db2.gz JKCAJXKZMHMXLA-UWVGGRQHSA-N -1 0 328.384 2.939 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C2CC2)c(F)c1 ZINC001424223886 1382881428 /nfs/dbraw/zinc/88/14/28/1382881428.db2.gz HGRQSBZEMPXMHO-QWHCGFSZSA-N -1 0 340.395 2.941 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)c(F)c1 ZINC001424223872 1382881848 /nfs/dbraw/zinc/88/18/48/1382881848.db2.gz HGRQSBZEMPXMHO-CHWSQXEVSA-N -1 0 340.395 2.941 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1ncc(Br)cc1[O-] ZINC001434071512 1387080884 /nfs/dbraw/zinc/08/08/84/1387080884.db2.gz RRDRRCBBFRRRQL-UHFFFAOYSA-N -1 0 344.168 2.624 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1[O-] ZINC001434551214 1387199415 /nfs/dbraw/zinc/19/94/15/1387199415.db2.gz GGKLVVFHXHFEIY-UHFFFAOYSA-N -1 0 330.409 2.863 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC001454718519 1393095398 /nfs/dbraw/zinc/09/53/98/1393095398.db2.gz FPRADUZLRMOOCG-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1C#N ZINC001460770793 1396252734 /nfs/dbraw/zinc/25/27/34/1396252734.db2.gz QLWJERVBUUZYLU-SMDDNHRTSA-N -1 0 343.383 2.806 20 30 EFEDRM Cc1ccc(SCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1C ZINC001469561148 1397038738 /nfs/dbraw/zinc/03/87/38/1397038738.db2.gz RKJDIZIGSSFYCK-UHFFFAOYSA-N -1 0 325.397 2.891 20 30 EFEDRM CCc1sc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000736714653 1426636544 /nfs/dbraw/zinc/63/65/44/1426636544.db2.gz YSNAIRLPOXFCPF-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380585 1426645214 /nfs/dbraw/zinc/64/52/14/1426645214.db2.gz WQHJIRJETSNFKQ-LBPRGKRZSA-N -1 0 347.382 2.815 20 30 EFEDRM C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735408451 1427836135 /nfs/dbraw/zinc/83/61/35/1427836135.db2.gz LMPUEHDERROBEN-AWEZNQCLSA-N -1 0 343.431 2.839 20 30 EFEDRM CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C[C@H](C)C#N ZINC000825428433 1428127782 /nfs/dbraw/zinc/12/77/82/1428127782.db2.gz MSOVNDITPJQQSK-SNVBAGLBSA-N -1 0 349.236 2.611 20 30 EFEDRM N#Cc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826387230 1428704121 /nfs/dbraw/zinc/70/41/21/1428704121.db2.gz LGYWUKHFDRHYEE-NTEUORMPSA-N -1 0 327.347 2.951 20 30 EFEDRM N#CC1(CC(=O)OCc2cc(Br)ccc2C(=O)[O-])CC1 ZINC001601054724 1413281310 /nfs/dbraw/zinc/28/13/10/1413281310.db2.gz MHQSYHFOGNWVKP-UHFFFAOYSA-N -1 0 338.157 2.884 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826384186 1428738774 /nfs/dbraw/zinc/73/87/74/1428738774.db2.gz KMTWEJJRSCJUEZ-GQCTYLIASA-N -1 0 337.289 2.913 20 30 EFEDRM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401280 1428765525 /nfs/dbraw/zinc/76/55/25/1428765525.db2.gz UNPZLGIFCOLBEY-ALCCZGGFSA-N -1 0 334.314 2.550 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447258 1414455288 /nfs/dbraw/zinc/45/52/88/1414455288.db2.gz QOQRIMKGYGPVSY-HIFRSBDPSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447260 1414455451 /nfs/dbraw/zinc/45/54/51/1414455451.db2.gz QOQRIMKGYGPVSY-ZFWWWQNUSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2CN=Nc2ccc(CC(=O)[O-])cc2)cn1 ZINC001552454891 1414457572 /nfs/dbraw/zinc/45/75/72/1414457572.db2.gz RTUJYQMBZACJQJ-KDOFPFPSSA-N -1 0 342.399 2.613 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552761652 1414550076 /nfs/dbraw/zinc/55/00/76/1414550076.db2.gz XWSTVOGHGJWQKV-HIFRSBDPSA-N -1 0 328.372 2.777 20 30 EFEDRM CCn1ccnc1[C@@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552763679 1414550746 /nfs/dbraw/zinc/55/07/46/1414550746.db2.gz ZAIVWJPVCPETMU-IAQYHMDHSA-N -1 0 346.362 2.916 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001556542232 1415075356 /nfs/dbraw/zinc/07/53/56/1415075356.db2.gz ZXAOBJHOTLEHTG-GFCCVEGCSA-N -1 0 347.378 2.866 20 30 EFEDRM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C1CC1 ZINC000823904041 1429032196 /nfs/dbraw/zinc/03/21/96/1429032196.db2.gz SNFMKFZLDOWRPT-UHFFFAOYSA-N -1 0 342.403 2.836 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1-c1ccccc1 ZINC000127660970 1417235124 /nfs/dbraw/zinc/23/51/24/1417235124.db2.gz FEVRVTUWPYEKAS-KRWDZBQOSA-N -1 0 334.375 2.963 20 30 EFEDRM C=CCN(CC=C)C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819740361 1429209251 /nfs/dbraw/zinc/20/92/51/1429209251.db2.gz YHXOQZQFFPUCLT-UHFFFAOYSA-N -1 0 349.847 2.813 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1O ZINC000826190527 1429264002 /nfs/dbraw/zinc/26/40/02/1429264002.db2.gz DYILKCOWNLXCPQ-KXFIGUGUSA-N -1 0 340.314 2.616 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C(F)(F)F ZINC000819743821 1429344719 /nfs/dbraw/zinc/34/47/19/1429344719.db2.gz QAMXFTACBRQAQF-SNVBAGLBSA-N -1 0 339.321 2.580 20 30 EFEDRM CCCCCCCCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825271390 1429397122 /nfs/dbraw/zinc/39/71/22/1429397122.db2.gz IPUOYDHTWRZSCM-UHFFFAOYSA-N -1 0 334.424 2.572 20 30 EFEDRM Fc1ccccc1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737669139 1429435089 /nfs/dbraw/zinc/43/50/89/1429435089.db2.gz KRXOVBFPUUXDLE-UHFFFAOYSA-N -1 0 341.346 2.825 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(-c2nn[n-]n2)c1 ZINC000735451187 1429576416 /nfs/dbraw/zinc/57/64/16/1429576416.db2.gz SBLZBBSDTXQJGZ-UHFFFAOYSA-N -1 0 337.343 2.919 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccnc(Cl)c1 ZINC000826400592 1429603938 /nfs/dbraw/zinc/60/39/38/1429603938.db2.gz CBBKIHAUOQBSRX-DUXPYHPUSA-N -1 0 329.722 2.950 20 30 EFEDRM N#CCCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000737686464 1429613191 /nfs/dbraw/zinc/61/31/91/1429613191.db2.gz BQSLGHJDGYMHLG-UHFFFAOYSA-N -1 0 346.394 2.957 20 30 EFEDRM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823954112 1423409267 /nfs/dbraw/zinc/40/92/67/1423409267.db2.gz ZVZULQHVJLEYNX-UHFFFAOYSA-N -1 0 349.423 2.990 20 30 EFEDRM COc1cc(F)cc(NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826180503 1423701228 /nfs/dbraw/zinc/70/12/28/1423701228.db2.gz KPBHSMUDMFKFAX-UHFFFAOYSA-N -1 0 344.325 2.990 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnn[n-]2)cc1Cl ZINC000090634910 1423769199 /nfs/dbraw/zinc/76/91/99/1423769199.db2.gz XOHLQIVLKUSHNR-UHFFFAOYSA-N -1 0 340.730 2.769 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SC[C@@H]2CCc3ccccc32)nc1N ZINC000826383467 1424072894 /nfs/dbraw/zinc/07/28/94/1424072894.db2.gz BNCVKSTTZXTAGY-NSHDSACASA-N -1 0 349.423 2.538 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCO2 ZINC000822923070 1429698562 /nfs/dbraw/zinc/69/85/62/1429698562.db2.gz NPFPIKOYKOWULU-HYXAFXHYSA-N -1 0 336.326 2.837 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729014 1424659061 /nfs/dbraw/zinc/65/90/61/1424659061.db2.gz AGBPATAOXBWKMU-GFCCVEGCSA-N -1 0 334.383 2.915 20 30 EFEDRM C[C@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034939 1424689015 /nfs/dbraw/zinc/68/90/15/1424689015.db2.gz QMVZRUNLKPSDHF-OLZOCXBDSA-N -1 0 346.394 2.871 20 30 EFEDRM CC(C)CCN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820076580 1424981998 /nfs/dbraw/zinc/98/19/98/1424981998.db2.gz NUQTUKFTWZCRRC-UHFFFAOYSA-N -1 0 329.364 2.541 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820076999 1425000656 /nfs/dbraw/zinc/00/06/56/1425000656.db2.gz XIXXNGHIRILODN-UHFFFAOYSA-N -1 0 327.392 2.660 20 30 EFEDRM Cc1c(NC(=O)C=Cc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822068928 1425047812 /nfs/dbraw/zinc/04/78/12/1425047812.db2.gz WMODSUFBTRINKY-KTKRTIGZSA-N -1 0 330.351 2.699 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(F)ccc1C#N ZINC000821394106 1425052717 /nfs/dbraw/zinc/05/27/17/1425052717.db2.gz GJCDVSWDBMREDK-UHFFFAOYSA-N -1 0 339.330 2.855 20 30 EFEDRM C=C[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823883399 1429775115 /nfs/dbraw/zinc/77/51/15/1429775115.db2.gz QCMCMDPEPICDCF-CYBMUJFWSA-N -1 0 348.410 2.907 20 30 EFEDRM C[C@H](Nc1nc2ccccn2c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663361 1425091765 /nfs/dbraw/zinc/09/17/65/1425091765.db2.gz YFLYUYOYCCFNNF-NSHDSACASA-N -1 0 330.355 2.559 20 30 EFEDRM c1ccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000823786676 1425265595 /nfs/dbraw/zinc/26/55/95/1425265595.db2.gz AVPYRJIDGFJGHB-UHFFFAOYSA-N -1 0 335.396 2.595 20 30 EFEDRM C#C[C@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823837964 1425316636 /nfs/dbraw/zinc/31/66/36/1425316636.db2.gz JHJZGUAFFCUHOK-GZKZCVOOSA-N -1 0 344.374 2.668 20 30 EFEDRM C=CCOc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819759280 1425523931 /nfs/dbraw/zinc/52/39/31/1425523931.db2.gz RPWRFZHEZLNLFA-ZDUSSCGKSA-N -1 0 349.394 2.923 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCC#N)cc1 ZINC000822145177 1425598311 /nfs/dbraw/zinc/59/83/11/1425598311.db2.gz OKCQNCRJCJVNBE-UHFFFAOYSA-N -1 0 335.323 2.648 20 30 EFEDRM CC[C@H]1C[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000825183437 1425648937 /nfs/dbraw/zinc/64/89/37/1425648937.db2.gz OQGBFMLJIUGLHX-KOLCDFICSA-N -1 0 335.799 2.518 20 30 EFEDRM O=C1c2cccc(O)c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504917 1425894983 /nfs/dbraw/zinc/89/49/83/1425894983.db2.gz VNDKGOMEQABUFJ-FLIBITNWSA-N -1 0 336.326 2.924 20 30 EFEDRM N#CC1(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826380068 1425913885 /nfs/dbraw/zinc/91/38/85/1425913885.db2.gz LUPROPRXYMUXNZ-UHFFFAOYSA-N -1 0 339.399 2.817 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000822135802 1425934554 /nfs/dbraw/zinc/93/45/54/1425934554.db2.gz FEQRQJINPFXVQJ-GFCCVEGCSA-N -1 0 348.366 2.609 20 30 EFEDRM C#C[C@@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823837966 1426003455 /nfs/dbraw/zinc/00/34/55/1426003455.db2.gz JHJZGUAFFCUHOK-QOHRORDFSA-N -1 0 344.374 2.668 20 30 EFEDRM CCn1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000825799268 1426017494 /nfs/dbraw/zinc/01/74/94/1426017494.db2.gz HEURZWGGABDCQB-UHFFFAOYSA-N -1 0 330.783 2.573 20 30 EFEDRM CCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCC2 ZINC000825576424 1426186753 /nfs/dbraw/zinc/18/67/53/1426186753.db2.gz GIJNWMBGBYZUEC-NSHDSACASA-N -1 0 347.810 2.662 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnc(OC2CCC2)c1 ZINC000180774963 1426323558 /nfs/dbraw/zinc/32/35/58/1426323558.db2.gz UABDSDXHCSQHNX-INIZCTEOSA-N -1 0 341.411 2.784 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)s1 ZINC000181266073 1426327610 /nfs/dbraw/zinc/32/76/10/1426327610.db2.gz DZRIYPIMXMMDSW-UHFFFAOYSA-N -1 0 334.422 2.778 20 30 EFEDRM COCc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826164905 1426411751 /nfs/dbraw/zinc/41/17/51/1426411751.db2.gz WOIRPNZZRLMYGD-AATRIKPKSA-N -1 0 326.381 2.971 20 30 EFEDRM FC(F)(F)c1ccc(C#CCNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822723740 1426541963 /nfs/dbraw/zinc/54/19/63/1426541963.db2.gz MTLKIPONQSHPLF-UHFFFAOYSA-N -1 0 347.300 2.620 20 30 EFEDRM COc1cccc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826218112 1426559873 /nfs/dbraw/zinc/55/98/73/1426559873.db2.gz PLPDRBDYHIKCJE-FMIVXFBMSA-N -1 0 334.335 2.534 20 30 EFEDRM CCC1(CC)C(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@H]1OC ZINC000820955989 1426607546 /nfs/dbraw/zinc/60/75/46/1426607546.db2.gz GQNFDQFTIZIKLF-LLVKDONJSA-N -1 0 347.423 2.971 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000823932467 1426614801 /nfs/dbraw/zinc/61/48/01/1426614801.db2.gz ZWCPTRAZUWVKBG-UHFFFAOYSA-N -1 0 347.378 2.634 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000735418103 1426654104 /nfs/dbraw/zinc/65/41/04/1426654104.db2.gz AGXIXAOWRWKQPE-OAHLLOKOSA-N -1 0 340.431 2.610 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000735419711 1426679390 /nfs/dbraw/zinc/67/93/90/1426679390.db2.gz ZCQILXWPQYCWRE-GOSISDBHSA-N -1 0 345.406 2.721 20 30 EFEDRM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000737080962 1426755940 /nfs/dbraw/zinc/75/59/40/1426755940.db2.gz JOVBYDDXCVPQHQ-ALCCZGGFSA-N -1 0 331.335 2.643 20 30 EFEDRM FC(F)(F)c1cccnc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822728329 1426911303 /nfs/dbraw/zinc/91/13/03/1426911303.db2.gz HHVIJZKKYWESOZ-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM C=CCN(CCc1ccco1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823909976 1427122563 /nfs/dbraw/zinc/12/25/63/1427122563.db2.gz UVNWNGJLCPPQAG-UHFFFAOYSA-N -1 0 340.343 2.603 20 30 EFEDRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736059501 1427155313 /nfs/dbraw/zinc/15/53/13/1427155313.db2.gz TZYWBCGTIWMBKR-LBPRGKRZSA-N -1 0 332.367 2.556 20 30 EFEDRM C#CC[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819693555 1427204770 /nfs/dbraw/zinc/20/47/70/1427204770.db2.gz UEJNLOSBDKMBEC-HNNXBMFYSA-N -1 0 344.440 2.691 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n2c1 ZINC000826295652 1427320662 /nfs/dbraw/zinc/32/06/62/1427320662.db2.gz RKKBCDWKIQDARX-GQCTYLIASA-N -1 0 348.341 2.858 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000735418179 1427376352 /nfs/dbraw/zinc/37/63/52/1427376352.db2.gz CUVFFLPGADPYAM-BBRMVZONSA-N -1 0 340.431 2.753 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826257189 1427402288 /nfs/dbraw/zinc/40/22/88/1427402288.db2.gz RLJWVBCPQGVARC-LBPRGKRZSA-N -1 0 333.351 2.965 20 30 EFEDRM CCc1nnc(Sc2cccc(-c3nn[n-]n3)c2)c(C#N)c1CC ZINC000821548429 1427435712 /nfs/dbraw/zinc/43/57/12/1427435712.db2.gz MCUQRNGJWUUNPO-UHFFFAOYSA-N -1 0 337.412 2.804 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2Cl)o1 ZINC000826322838 1427470903 /nfs/dbraw/zinc/47/09/03/1427470903.db2.gz DHHXNOBPBPEAAQ-UHFFFAOYSA-N -1 0 338.158 2.916 20 30 EFEDRM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(C)(C)C)n1 ZINC000826359958 1427518039 /nfs/dbraw/zinc/51/80/39/1427518039.db2.gz UEKYJBYZDBYZLS-CMDGGOBGSA-N -1 0 336.399 2.794 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000826384854 1427624262 /nfs/dbraw/zinc/62/42/62/1427624262.db2.gz MACWJLIEJUGOGF-ONEGZZNKSA-N -1 0 325.328 2.835 20 30 EFEDRM c1cc(C2=NNC(=NC3CCCCC3)SC2)ccc1-c1nn[n-]n1 ZINC000823742674 1427655303 /nfs/dbraw/zinc/65/53/03/1427655303.db2.gz KCPBMHVKUIUYOG-UHFFFAOYSA-N -1 0 341.444 2.596 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)COC2 ZINC000826400566 1427761568 /nfs/dbraw/zinc/76/15/68/1427761568.db2.gz BLPRVRNCKWGHIF-KXFIGUGUSA-N -1 0 336.326 2.932 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823839040 1427815503 /nfs/dbraw/zinc/81/55/03/1427815503.db2.gz YXZHYHKSSJIPCU-KRWDZBQOSA-N -1 0 331.379 2.670 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735435868 1427920964 /nfs/dbraw/zinc/92/09/64/1427920964.db2.gz AKPQJYSNQQKEKP-UHFFFAOYSA-N -1 0 346.350 2.555 20 30 EFEDRM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826044665 1427929028 /nfs/dbraw/zinc/92/90/28/1427929028.db2.gz ITZCNRKMPHIQPO-YCRREMRBSA-N -1 0 331.379 2.755 20 30 EFEDRM CN(Cc1cccc(C#N)c1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825976817 1427929475 /nfs/dbraw/zinc/92/94/75/1427929475.db2.gz RAZFHSXHFBKURF-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000823894789 1428001612 /nfs/dbraw/zinc/00/16/12/1428001612.db2.gz XFGVOBGTIJPBEQ-LLVKDONJSA-N -1 0 330.392 2.742 20 30 EFEDRM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000819759410 1428035908 /nfs/dbraw/zinc/03/59/08/1428035908.db2.gz WUIBVDGBJMBUIF-UHFFFAOYSA-N -1 0 342.380 2.885 20 30 EFEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-n2ccnc2)cs1 ZINC000823862153 1428081755 /nfs/dbraw/zinc/08/17/55/1428081755.db2.gz YUXPKLPNURYYCV-UHFFFAOYSA-N -1 0 336.384 2.560 20 30 EFEDRM C=CCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823932157 1428108387 /nfs/dbraw/zinc/10/83/87/1428108387.db2.gz QOPHMFNKUSAZAZ-UHFFFAOYSA-N -1 0 336.351 2.959 20 30 EFEDRM C#Cc1cccc(NC(=S)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735390642 1428140641 /nfs/dbraw/zinc/14/06/41/1428140641.db2.gz AKFUTFDWVPQZLN-UHFFFAOYSA-N -1 0 334.408 2.681 20 30 EFEDRM Cc1cc(N(C)[C@@H](C)CC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822205904 1428192355 /nfs/dbraw/zinc/19/23/55/1428192355.db2.gz MYUSMSSIUAMNQZ-LBPRGKRZSA-N -1 0 346.398 2.714 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CC(F)(F)C(F)F ZINC000735426057 1428205958 /nfs/dbraw/zinc/20/59/58/1428205958.db2.gz JQVGLZCBPWSWKE-UHFFFAOYSA-N -1 0 329.301 2.755 20 30 EFEDRM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C#N)cc2C)s1 ZINC000825694107 1429846332 /nfs/dbraw/zinc/84/63/32/1429846332.db2.gz KHHXWNFCYXEFJM-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM C=CCC[C@@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894347 1429862900 /nfs/dbraw/zinc/86/29/00/1429862900.db2.gz NRYMCCNOWNRGMY-GFCCVEGCSA-N -1 0 332.429 2.998 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822924104 1430029600 /nfs/dbraw/zinc/02/96/00/1430029600.db2.gz XIRLFALWNJTVEU-WAYWQWQTSA-N -1 0 327.325 2.733 20 30 EFEDRM N#Cc1ccc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384640 1430049744 /nfs/dbraw/zinc/04/97/44/1430049744.db2.gz CZOCGLVOUMWZMR-AWEZNQCLSA-N -1 0 341.758 2.504 20 30 EFEDRM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826215701 1441493353 /nfs/dbraw/zinc/49/33/53/1441493353.db2.gz WQOTZNXRZVDGHW-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C ZINC000826190904 1441654111 /nfs/dbraw/zinc/65/41/11/1441654111.db2.gz QMHHWUJMLWCIAM-UHFFFAOYSA-N -1 0 343.778 2.678 20 30 EFEDRM COc1cc(C#N)ccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821703108 1441691458 /nfs/dbraw/zinc/69/14/58/1441691458.db2.gz PEQRIZLLEBPMIH-UHFFFAOYSA-N -1 0 328.719 2.588 20 30 EFEDRM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823999435 1441723981 /nfs/dbraw/zinc/72/39/81/1441723981.db2.gz AFLBPWMCRWWXJX-DAXSKMNVSA-N -1 0 339.380 2.783 20 30 EFEDRM Clc1ccc2c(c1)CC(=NNCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822581740 1441793240 /nfs/dbraw/zinc/79/32/40/1441793240.db2.gz MWJFPTOKOOAIBK-UHFFFAOYSA-N -1 0 338.802 2.765 20 30 EFEDRM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C#N)c1 ZINC000820512303 1441913542 /nfs/dbraw/zinc/91/35/42/1441913542.db2.gz JIXKOUSFAMLOEB-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715574 1441925938 /nfs/dbraw/zinc/92/59/38/1441925938.db2.gz BINNGLFXOGWUFJ-ZBFHGGJFSA-N -1 0 336.399 2.893 20 30 EFEDRM O=C1C(=Cc2cnn3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505118 1441955854 /nfs/dbraw/zinc/95/58/54/1441955854.db2.gz XJCXVGAWPJAABA-JLHYYAGUSA-N -1 0 342.362 2.727 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccsc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202829 1441981249 /nfs/dbraw/zinc/98/12/49/1441981249.db2.gz ORLVOOMJTOMNHL-SNAWJCMRSA-N -1 0 325.397 2.880 20 30 EFEDRM COc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826221772 1442034791 /nfs/dbraw/zinc/03/47/91/1442034791.db2.gz UGKMMGOVRYMFLX-SNAWJCMRSA-N -1 0 330.344 2.972 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736616752 1442057947 /nfs/dbraw/zinc/05/79/47/1442057947.db2.gz POILFNKEIGHHJC-JTQLQIEISA-N -1 0 347.423 2.755 20 30 EFEDRM CC#CCOC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819764008 1442237237 /nfs/dbraw/zinc/23/72/37/1442237237.db2.gz DEFRJYQILVJDQO-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc3ccccc3s2)o1 ZINC000822423716 1442282402 /nfs/dbraw/zinc/28/24/02/1442282402.db2.gz NLKRXRYDMYNUCT-UHFFFAOYSA-N -1 0 325.357 2.824 20 30 EFEDRM FC(F)(F)c1cccnc1N=NCc1ccc(-c2nn[n-]n2)s1 ZINC000822729143 1442298315 /nfs/dbraw/zinc/29/83/15/1442298315.db2.gz UNUDAPISYXLIGZ-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM C#CCCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823837506 1442326360 /nfs/dbraw/zinc/32/63/60/1442326360.db2.gz DFADCUQAOVORDK-AWEZNQCLSA-N -1 0 325.416 2.970 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823904004 1442334914 /nfs/dbraw/zinc/33/49/14/1442334914.db2.gz QTSSRMCQKLGWMB-UHFFFAOYSA-N -1 0 337.383 2.639 20 30 EFEDRM C#Cc1cccc(N(C(=O)c2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000735389568 1442348862 /nfs/dbraw/zinc/34/88/62/1442348862.db2.gz COYYPJLOFGCZTJ-UHFFFAOYSA-N -1 0 331.379 2.903 20 30 EFEDRM CCc1nnc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1CC ZINC000821528748 1442379329 /nfs/dbraw/zinc/37/93/29/1442379329.db2.gz QURAETWHVVDGPA-LLVKDONJSA-N -1 0 348.414 2.826 20 30 EFEDRM N#Cc1ccc(F)c(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826385756 1442419215 /nfs/dbraw/zinc/41/92/15/1442419215.db2.gz ZDRSOSYMPOTFIN-UHFFFAOYSA-N -1 0 349.373 2.763 20 30 EFEDRM c1cc(-c2nn[n-]n2)oc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000819718910 1442428344 /nfs/dbraw/zinc/42/83/44/1442428344.db2.gz UEIILROIIVFBAD-UHFFFAOYSA-N -1 0 346.310 2.595 20 30 EFEDRM N#Cc1ncn(Cc2ccccc2Oc2ccccc2)c1-c1nn[n-]n1 ZINC000826387951 1442447800 /nfs/dbraw/zinc/44/78/00/1442447800.db2.gz BBQFEGLJXORKHL-UHFFFAOYSA-N -1 0 343.350 2.775 20 30 EFEDRM CC(C)c1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC000735940575 1442452863 /nfs/dbraw/zinc/45/28/63/1442452863.db2.gz RBJSLXOXVAEYIZ-UHFFFAOYSA-N -1 0 339.384 2.571 20 30 EFEDRM C#CCOc1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000823861925 1442491370 /nfs/dbraw/zinc/49/13/70/1442491370.db2.gz TUKHOQPVPFWJDC-UHFFFAOYSA-N -1 0 333.760 2.781 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400610 1443248605 /nfs/dbraw/zinc/24/86/05/1443248605.db2.gz CFSXUJJIQNJJFK-DAXSKMNVSA-N -1 0 339.286 2.810 20 30 EFEDRM Cc1cc(N[C@H](C)CC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274629 1443387400 /nfs/dbraw/zinc/38/74/00/1443387400.db2.gz PMFSVNLYBWYLGL-LLVKDONJSA-N -1 0 332.371 2.690 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689165 1443404405 /nfs/dbraw/zinc/40/44/05/1443404405.db2.gz WSWZUKVBFMRXEE-ZDUSSCGKSA-N -1 0 348.362 2.624 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822240996 1443406663 /nfs/dbraw/zinc/40/66/63/1443406663.db2.gz IDGWGVXKWMGYBU-UHFFFAOYSA-N -1 0 338.396 2.797 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737704474 1443441131 /nfs/dbraw/zinc/44/11/31/1443441131.db2.gz JAQLNQRNTSWJJQ-HZPDHXFCSA-N -1 0 348.341 2.620 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823844960 1443445761 /nfs/dbraw/zinc/44/57/61/1443445761.db2.gz LPNIGZJMFIBJGP-UHFFFAOYSA-N -1 0 349.369 2.590 20 30 EFEDRM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826387752 1443478769 /nfs/dbraw/zinc/47/87/69/1443478769.db2.gz PFZBPXRPKJNLRT-DUXPYHPUSA-N -1 0 325.328 2.835 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000823909357 1443483987 /nfs/dbraw/zinc/48/39/87/1443483987.db2.gz AHMMQGPYJZDWMZ-CZUORRHYSA-N -1 0 325.416 2.818 20 30 EFEDRM CC[C@H]1C[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184828 1443537389 /nfs/dbraw/zinc/53/73/89/1443537389.db2.gz ZWQBCDAISYZVFT-QWRGUYRKSA-N -1 0 347.423 2.755 20 30 EFEDRM C=CCCCOC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735412665 1443559300 /nfs/dbraw/zinc/55/93/00/1443559300.db2.gz HOZWBTIWCGPMSD-OAHLLOKOSA-N -1 0 330.388 2.780 20 30 EFEDRM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826167042 1443596016 /nfs/dbraw/zinc/59/60/16/1443596016.db2.gz MXDKERDXFXKWGA-VURMDHGXSA-N -1 0 340.314 2.616 20 30 EFEDRM C=C(C)COCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823878406 1443609989 /nfs/dbraw/zinc/60/99/89/1443609989.db2.gz XWSBGOHHPFBFPP-UHFFFAOYSA-N -1 0 338.209 2.634 20 30 EFEDRM N#Cc1ccc(NC(=O)CCCc2cccs2)cc1-c1nn[n-]n1 ZINC000737716905 1443713716 /nfs/dbraw/zinc/71/37/16/1443713716.db2.gz WNMKBXADRKCKKO-UHFFFAOYSA-N -1 0 338.396 2.761 20 30 EFEDRM C=CCOc1ccccc1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000823932428 1443720481 /nfs/dbraw/zinc/72/04/81/1443720481.db2.gz XVRSPOFGAOGXDG-UHFFFAOYSA-N -1 0 347.382 2.691 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822016277 1443772046 /nfs/dbraw/zinc/77/20/46/1443772046.db2.gz WTAKPVRYQJZCOI-GFCCVEGCSA-N -1 0 347.382 2.930 20 30 EFEDRM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953488 1443822638 /nfs/dbraw/zinc/82/26/38/1443822638.db2.gz CGZCLTPHXFVENA-UHFFFAOYSA-N -1 0 346.316 2.798 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826187453 1443888134 /nfs/dbraw/zinc/88/81/34/1443888134.db2.gz QVBMPMKMCMONEC-CLFYSBASSA-N -1 0 336.351 2.780 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736338023 1443917213 /nfs/dbraw/zinc/91/72/13/1443917213.db2.gz OJXJAUGETFGBHE-UHFFFAOYSA-N -1 0 340.431 2.588 20 30 EFEDRM Cc1cc(N[C@@H](C)CC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737274630 1443928377 /nfs/dbraw/zinc/92/83/77/1443928377.db2.gz PMFSVNLYBWYLGL-NSHDSACASA-N -1 0 332.371 2.690 20 30 EFEDRM CC(C)(C#N)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824058915 1443976865 /nfs/dbraw/zinc/97/68/65/1443976865.db2.gz ITTYGLGEUMQJKW-UHFFFAOYSA-N -1 0 346.394 2.700 20 30 EFEDRM C#Cc1ccccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823861223 1444009003 /nfs/dbraw/zinc/00/90/03/1444009003.db2.gz ACEUEJWCAIQEBV-UHFFFAOYSA-N -1 0 335.371 2.796 20 30 EFEDRM N#Cc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822837688 1444029177 /nfs/dbraw/zinc/02/91/77/1444029177.db2.gz RYRSCQXKDDZQDV-UHFFFAOYSA-N -1 0 343.394 2.569 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccnc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826191004 1446080169 /nfs/dbraw/zinc/08/01/69/1446080169.db2.gz UHEVPOMNVQJTNI-DUXPYHPUSA-N -1 0 341.758 2.820 20 30 EFEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1cc(C#N)c2ccccc2n1 ZINC000736823288 1446080316 /nfs/dbraw/zinc/08/03/16/1446080316.db2.gz VAURWAVOHSSDNA-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826385583 1446188883 /nfs/dbraw/zinc/18/88/83/1446188883.db2.gz SHPSDVNLSBIQSL-UHFFFAOYSA-N -1 0 341.737 2.977 20 30 EFEDRM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825875830 1446191299 /nfs/dbraw/zinc/19/12/99/1446191299.db2.gz ZAELSIBHLHMMTA-JXMROGBWSA-N -1 0 337.358 2.968 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)OCC ZINC000823872672 1446228031 /nfs/dbraw/zinc/22/80/31/1446228031.db2.gz CKWSOAHRDGLOCP-ZDUSSCGKSA-N -1 0 335.795 2.830 20 30 EFEDRM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823961865 1446327331 /nfs/dbraw/zinc/32/73/31/1446327331.db2.gz AMVUPKJDWYXBKI-UHFFFAOYSA-N -1 0 348.345 2.785 20 30 EFEDRM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821838435 1446345159 /nfs/dbraw/zinc/34/51/59/1446345159.db2.gz NKFVXWMBGNVTJX-XQRVVYSFSA-N -1 0 342.380 2.842 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C#N)c1F ZINC000825609368 1446356633 /nfs/dbraw/zinc/35/66/33/1446356633.db2.gz LKMUSTNILJCJRT-UHFFFAOYSA-N -1 0 339.330 2.855 20 30 EFEDRM C=CCC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894892 1446529791 /nfs/dbraw/zinc/52/97/91/1446529791.db2.gz ZDVZRWKRNGDEEN-MLGOLLRUSA-N -1 0 342.399 2.922 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000819844378 1446622121 /nfs/dbraw/zinc/62/21/21/1446622121.db2.gz FPNZPFGXYRMFLO-HNNXBMFYSA-N -1 0 330.417 2.521 20 30 EFEDRM Fc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)CO2 ZINC000826375797 1446758286 /nfs/dbraw/zinc/75/82/86/1446758286.db2.gz BVQUFTCHOZNNPB-UHFFFAOYSA-N -1 0 344.737 2.868 20 30 EFEDRM N#CCc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382710 1446761343 /nfs/dbraw/zinc/76/13/43/1446761343.db2.gz RLEWKQHYYKPDLV-KTKRTIGZSA-N -1 0 345.362 2.689 20 30 EFEDRM N#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CCCC1 ZINC000822811132 1446810382 /nfs/dbraw/zinc/81/03/82/1446810382.db2.gz SWLUFGNDBAZWRE-UHFFFAOYSA-N -1 0 348.357 2.736 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)OCC ZINC000823873311 1446821049 /nfs/dbraw/zinc/82/10/49/1446821049.db2.gz KZTMNCLIDQDIFG-HNNXBMFYSA-N -1 0 345.403 2.575 20 30 EFEDRM CC(C)(C#N)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824059466 1447054271 /nfs/dbraw/zinc/05/42/71/1447054271.db2.gz WLUMBZMBACPBGO-UHFFFAOYSA-N -1 0 343.387 2.509 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737372659 1447076115 /nfs/dbraw/zinc/07/61/15/1447076115.db2.gz HKRRKXRKAMOCSE-WEVVVXLNSA-N -1 0 335.323 2.979 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2ccc(F)cc21 ZINC000823505026 1447138417 /nfs/dbraw/zinc/13/84/17/1447138417.db2.gz XBPAGWRFUWJSIP-BAQGIRSFSA-N -1 0 328.328 2.726 20 30 EFEDRM COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821778101 1447245502 /nfs/dbraw/zinc/24/55/02/1447245502.db2.gz UEPXEWBABAOKNQ-UHFFFAOYSA-N -1 0 340.362 2.528 20 30 EFEDRM Cc1nnc(SCc2ccc(CC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826337142 1447263371 /nfs/dbraw/zinc/26/33/71/1447263371.db2.gz DFVDNBLQIIUXQL-UHFFFAOYSA-N -1 0 337.412 2.632 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1OCc1cn2ccccc2c1C#N ZINC000822221110 1447309866 /nfs/dbraw/zinc/30/98/66/1447309866.db2.gz AHCIKQBMVGYGQK-UHFFFAOYSA-N -1 0 330.351 2.879 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823899423 1447331786 /nfs/dbraw/zinc/33/17/86/1447331786.db2.gz VUGBFAVYRJPEJP-UHFFFAOYSA-N -1 0 329.404 2.877 20 30 EFEDRM Clc1cc(N=NCc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000826351471 1447334420 /nfs/dbraw/zinc/33/44/20/1447334420.db2.gz NSNAENKCBSNDHW-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823904090 1447342965 /nfs/dbraw/zinc/34/29/65/1447342965.db2.gz UTCABTLDFQWMCV-MDZDMXLPSA-N -1 0 349.394 2.730 20 30 EFEDRM N#Cc1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822823267 1449026721 /nfs/dbraw/zinc/02/67/21/1449026721.db2.gz OATJKUABBQPLKN-UHFFFAOYSA-N -1 0 338.346 2.758 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380584 1449102176 /nfs/dbraw/zinc/10/21/76/1449102176.db2.gz WQHJIRJETSNFKQ-GFCCVEGCSA-N -1 0 347.382 2.815 20 30 EFEDRM C[C@@H](C#N)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735503712 1449176969 /nfs/dbraw/zinc/17/69/69/1449176969.db2.gz LOKJRVXJUJLVDZ-LBPRGKRZSA-N -1 0 333.355 2.604 20 30 EFEDRM CC(C)(CCC#N)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824152989 1449178944 /nfs/dbraw/zinc/17/89/44/1449178944.db2.gz WUCHYZSIDZMBNP-MRXNPFEDSA-N -1 0 340.431 2.570 20 30 EFEDRM C#Cc1cccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000823861325 1449231127 /nfs/dbraw/zinc/23/11/27/1449231127.db2.gz DRLBQIYZGFVIIP-UHFFFAOYSA-N -1 0 346.419 2.608 20 30 EFEDRM COc1ccc2oc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213938 1449295643 /nfs/dbraw/zinc/29/56/43/1449295643.db2.gz SRJBVTCACPCHCW-UHFFFAOYSA-N -1 0 348.366 2.745 20 30 EFEDRM C[C@@H](C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034795 1449391090 /nfs/dbraw/zinc/39/10/90/1449391090.db2.gz PGINZVVYMVZBHA-LBPRGKRZSA-N -1 0 348.366 2.548 20 30 EFEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2cc1C#N ZINC000821613585 1449484061 /nfs/dbraw/zinc/48/40/61/1449484061.db2.gz TWUWUZCETIODSC-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM N#Cc1ccc(F)cc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822829851 1449575922 /nfs/dbraw/zinc/57/59/22/1449575922.db2.gz MAPFKLBIWMTOCT-SOFGYWHQSA-N -1 0 349.325 2.634 20 30 EFEDRM C#C[C@H](C)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819689107 1449616962 /nfs/dbraw/zinc/61/69/62/1449616962.db2.gz UTMAXKXIQSJERI-ZDUSSCGKSA-N -1 0 348.362 2.624 20 30 EFEDRM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820832585 1449668812 /nfs/dbraw/zinc/66/88/12/1449668812.db2.gz LWBKJYKGWPRXMX-UHFFFAOYSA-N -1 0 333.302 2.668 20 30 EFEDRM C=C(Cl)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819729090 1449699597 /nfs/dbraw/zinc/69/95/97/1449699597.db2.gz BTVUYLHTZINSTR-UHFFFAOYSA-N -1 0 336.783 2.528 20 30 EFEDRM C=C[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729015 1449727244 /nfs/dbraw/zinc/72/72/44/1449727244.db2.gz AGBPATAOXBWKMU-LBPRGKRZSA-N -1 0 334.383 2.915 20 30 EFEDRM CCOc1ccc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC000736642989 1449764818 /nfs/dbraw/zinc/76/48/18/1449764818.db2.gz BEAGONYVIFKHMS-VXLYETTFSA-N -1 0 341.346 2.729 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822924126 1449775730 /nfs/dbraw/zinc/77/57/30/1449775730.db2.gz YBCLOLIHOOZVES-YVMONPNESA-N -1 0 339.286 2.810 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819722198 1449776413 /nfs/dbraw/zinc/77/64/13/1449776413.db2.gz BXDVIUULUUJPLJ-LBPRGKRZSA-N -1 0 331.445 2.772 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821768990 1449800273 /nfs/dbraw/zinc/80/02/73/1449800273.db2.gz CARLUVUHTBBIRK-ONEGZZNKSA-N -1 0 330.344 2.972 20 30 EFEDRM C#Cc1ccccc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000823861393 1449811685 /nfs/dbraw/zinc/81/16/85/1449811685.db2.gz GNOOTQCQMYWVMW-UHFFFAOYSA-N -1 0 349.398 2.970 20 30 EFEDRM N#Cc1cccc(Oc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000826387262 1449984836 /nfs/dbraw/zinc/98/48/36/1449984836.db2.gz MRSNJDMRGOIADX-UHFFFAOYSA-N -1 0 343.144 2.688 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCC(C)(C)CCC#N)o1 ZINC000824152786 1450054811 /nfs/dbraw/zinc/05/48/11/1450054811.db2.gz MXXHSNHTZDJBJL-UHFFFAOYSA-N -1 0 330.396 2.880 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)OCC ZINC000823874135 1450079202 /nfs/dbraw/zinc/07/92/02/1450079202.db2.gz TWWFVRIXNGUDKG-CQSZACIVSA-N -1 0 349.822 2.854 20 30 EFEDRM N#Cc1cc2c(nc1NCc1cc(-c3nn[n-]n3)ccc1F)CCCC2 ZINC000826384533 1450246150 /nfs/dbraw/zinc/24/61/50/1450246150.db2.gz ZBXHRDHJHFVGEY-UHFFFAOYSA-N -1 0 349.373 2.763 20 30 EFEDRM CC(C)c1ncc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000824364365 1450309758 /nfs/dbraw/zinc/30/97/58/1450309758.db2.gz CLZXGQQVHGYTIV-UHFFFAOYSA-N -1 0 348.823 2.941 20 30 EFEDRM N#Cc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822833810 1450329634 /nfs/dbraw/zinc/32/96/34/1450329634.db2.gz VYAYIAVBCODWEN-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM CCNc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825480735 1450360209 /nfs/dbraw/zinc/36/02/09/1450360209.db2.gz IGDSYYKGPIWHLQ-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049514992 712915171 /nfs/dbraw/zinc/91/51/71/712915171.db2.gz WVZKXGHPNJFWAP-UHFFFAOYSA-N -1 0 330.818 2.940 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000120189602 712980755 /nfs/dbraw/zinc/98/07/55/712980755.db2.gz YPZAZFJQKGEGKW-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120197988 712989123 /nfs/dbraw/zinc/98/91/23/712989123.db2.gz NSONGTZIISRASU-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000120198112 712993704 /nfs/dbraw/zinc/99/37/04/712993704.db2.gz XLKCXQBPEGMKCV-UHFFFAOYSA-N -1 0 343.493 2.983 20 30 EFEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000892483954 717919716 /nfs/dbraw/zinc/91/97/16/717919716.db2.gz CYKLWCDMYDZRKB-KRWDZBQOSA-N -1 0 333.391 2.906 20 30 EFEDRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519652 713800267 /nfs/dbraw/zinc/80/02/67/713800267.db2.gz HQNKHGGJSWPQLF-ZETCQYMHSA-N -1 0 338.248 2.846 20 30 EFEDRM N#Cc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])c([O-])c3)C(=O)O2)cc1 ZINC000255133447 713837517 /nfs/dbraw/zinc/83/75/17/713837517.db2.gz TXELXGWCLGDBAF-QPEQYQDCSA-N -1 0 335.275 2.517 20 30 EFEDRM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)c1OC ZINC000807949207 713847797 /nfs/dbraw/zinc/84/77/97/713847797.db2.gz FIBIWUCHKVHQLH-UHFFFAOYSA-N -1 0 346.334 2.793 20 30 EFEDRM C[C@@H]1CCc2sc(C(=O)[N-]S(=O)(=O)c3cccnc3)cc2C1 ZINC000042323937 713922972 /nfs/dbraw/zinc/92/29/72/713922972.db2.gz VYUOODFWXYMNAU-SNVBAGLBSA-N -1 0 336.438 2.961 20 30 EFEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2)c1 ZINC000892495794 717962523 /nfs/dbraw/zinc/96/25/23/717962523.db2.gz GDCHPTILUSBJSH-INIZCTEOSA-N -1 0 335.363 2.783 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)[nH]n1 ZINC000083791347 714286879 /nfs/dbraw/zinc/28/68/79/714286879.db2.gz VNKHDLAGWZZASG-UHFFFAOYSA-N -1 0 341.820 2.850 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)CSc1n[n-]c(=S)s1 ZINC000175990978 714491037 /nfs/dbraw/zinc/49/10/37/714491037.db2.gz NJWSVFRHZYRODR-UHFFFAOYSA-N -1 0 336.467 2.823 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)C1(c2ccccc2F)CC1 ZINC000077867079 714722738 /nfs/dbraw/zinc/72/27/38/714722738.db2.gz OTOKREYTTCGOAH-UHFFFAOYSA-N -1 0 326.393 2.545 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(Br)c1 ZINC000255368797 714838743 /nfs/dbraw/zinc/83/87/43/714838743.db2.gz LDSFVDXRVGHDKZ-IYKSTZQJSA-N -1 0 349.180 2.986 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCCO[C@H]2CCOC2)c1[O-] ZINC000255373485 714868979 /nfs/dbraw/zinc/86/89/79/714868979.db2.gz JIULVSUAVSOJOF-LUMBYOQCSA-N -1 0 328.752 2.568 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1occc1Br ZINC000176090985 715159511 /nfs/dbraw/zinc/15/95/11/715159511.db2.gz SLUSFVANRIJNFK-JTQLQIEISA-N -1 0 339.189 2.813 20 30 EFEDRM Cc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000255464320 715253786 /nfs/dbraw/zinc/25/37/86/715253786.db2.gz UALCIOBKCWSNIS-VOKGJARPSA-N -1 0 349.180 2.986 20 30 EFEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000121768083 715285817 /nfs/dbraw/zinc/28/58/17/715285817.db2.gz GXSOQNRYDSWLHI-GFCCVEGCSA-N -1 0 329.331 2.636 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000893430455 715321150 /nfs/dbraw/zinc/32/11/50/715321150.db2.gz GYSGAUWXYRLKHO-UHFFFAOYSA-N -1 0 343.832 2.900 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893430831 715336625 /nfs/dbraw/zinc/33/66/25/715336625.db2.gz HTMCWIYMYCFHDS-UHFFFAOYSA-N -1 0 343.832 2.737 20 30 EFEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000075040473 715471684 /nfs/dbraw/zinc/47/16/84/715471684.db2.gz VKEIRTAYZFNXEL-UHFFFAOYSA-N -1 0 337.372 2.974 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COc3ccccc32)c(F)c1 ZINC000075040500 715472205 /nfs/dbraw/zinc/47/22/05/715472205.db2.gz RBNKIIQTVJEILC-LBPRGKRZSA-N -1 0 335.356 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000158541459 715603475 /nfs/dbraw/zinc/60/34/75/715603475.db2.gz KQUPQEGOXYGTGJ-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)n1C(C)C ZINC000125466794 715704004 /nfs/dbraw/zinc/70/40/04/715704004.db2.gz BJTSQIWRAWEYCZ-KRWDZBQOSA-N -1 0 347.459 2.940 20 30 EFEDRM N#Cc1c(N)n[nH]c1CCCN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255566374 715970378 /nfs/dbraw/zinc/97/03/78/715970378.db2.gz LXEAFRZHJIMCEF-GXHLCREISA-N -1 0 338.198 2.928 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1O ZINC000975872329 716020553 /nfs/dbraw/zinc/02/05/53/716020553.db2.gz AEFHDIHDGLDUFJ-CQSZACIVSA-N -1 0 345.443 2.500 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000135417171 716331304 /nfs/dbraw/zinc/33/13/04/716331304.db2.gz GUGNJUZORXFTTI-UHFFFAOYSA-N -1 0 349.811 2.575 20 30 EFEDRM N#Cc1c(N)n[nH]c1CCCN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000005179010 716392479 /nfs/dbraw/zinc/39/24/79/716392479.db2.gz LXEAFRZHJIMCEF-FBCYGCLPSA-N -1 0 338.198 2.928 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000157971435 716396246 /nfs/dbraw/zinc/39/62/46/716396246.db2.gz KLMZINGDFKZFBQ-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158031112 716413685 /nfs/dbraw/zinc/41/36/85/716413685.db2.gz NDOASORSPRADFU-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CC(C)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052772462 716584299 /nfs/dbraw/zinc/58/42/99/716584299.db2.gz GAQJEGDNUAYBFQ-CYBMUJFWSA-N -1 0 340.445 2.874 20 30 EFEDRM O=C(CCCOc1cccc(F)c1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052793812 716609227 /nfs/dbraw/zinc/60/92/27/716609227.db2.gz JEVPBSZNPIVCOF-UHFFFAOYSA-N -1 0 344.408 2.672 20 30 EFEDRM O=C(CCCc1c[nH]c2ccccc12)[N-]S(=O)(=O)N1CCCC1 ZINC000052793318 716614284 /nfs/dbraw/zinc/61/42/84/716614284.db2.gz WFZMJCQXCYIADN-UHFFFAOYSA-N -1 0 335.429 2.788 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)N2CCCC2)sc2cccc(F)c12 ZINC000052793399 716614352 /nfs/dbraw/zinc/61/43/52/716614352.db2.gz IHJGMLOBBAFEKT-UHFFFAOYSA-N -1 0 342.417 2.994 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c(C)n1C(C)C ZINC000052796457 716623402 /nfs/dbraw/zinc/62/34/02/716623402.db2.gz GQYZIVRXAPGPEV-UHFFFAOYSA-N -1 0 327.450 2.721 20 30 EFEDRM Cc1ccc(OC(F)F)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000176904672 717011234 /nfs/dbraw/zinc/01/12/34/717011234.db2.gz PPQAQTMXFXABJO-MBVDDHJVSA-N -1 0 336.290 2.825 20 30 EFEDRM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000892420092 717242135 /nfs/dbraw/zinc/24/21/35/717242135.db2.gz NCTLLSVYVLXYEA-YPMHNXCESA-N -1 0 333.395 2.911 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000892421991 717343382 /nfs/dbraw/zinc/34/33/82/717343382.db2.gz MKZABQSAOIDSQT-UHFFFAOYSA-N -1 0 346.246 2.856 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000179585811 717796680 /nfs/dbraw/zinc/79/66/80/717796680.db2.gz OZFVZMSNSAXXJU-CQSZACIVSA-N -1 0 345.420 2.860 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c1 ZINC000179728593 717865757 /nfs/dbraw/zinc/86/57/57/717865757.db2.gz WVCQDSOMQVSEGJ-INIZCTEOSA-N -1 0 325.299 2.535 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000127264194 724480432 /nfs/dbraw/zinc/48/04/32/724480432.db2.gz BSKBSNOMLWYFJC-AWEZNQCLSA-N -1 0 329.356 2.675 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000840947285 718064932 /nfs/dbraw/zinc/06/49/32/718064932.db2.gz UBGIYPDWFFWHFT-CYBMUJFWSA-N -1 0 337.338 2.936 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c([N+](=O)[O-])c1 ZINC000177595059 718122416 /nfs/dbraw/zinc/12/24/16/718122416.db2.gz YAUDTNITLOUIQF-CQSZACIVSA-N -1 0 331.372 2.786 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000177714544 718178000 /nfs/dbraw/zinc/17/80/00/718178000.db2.gz XLOWZTQIARRECS-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM C#CC[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C(C)C ZINC000177739758 718185630 /nfs/dbraw/zinc/18/56/30/718185630.db2.gz XYKSHDWEEKRRMP-HNNXBMFYSA-N -1 0 344.436 2.910 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000178121605 718256564 /nfs/dbraw/zinc/25/65/64/718256564.db2.gz SJZVZKYQKPOJJR-UHFFFAOYSA-N -1 0 345.424 2.571 20 30 EFEDRM N#CC(=C([O-])c1cc(C(F)(F)F)ccn1)c1nnc2n1CCCCC2 ZINC000892550574 718271451 /nfs/dbraw/zinc/27/14/51/718271451.db2.gz NKRUQWYWBDIRNY-LLVKDONJSA-N -1 0 349.316 2.908 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000255900964 718338231 /nfs/dbraw/zinc/33/82/31/718338231.db2.gz YOQBISXVSUPQEV-AOPUEWEHSA-N -1 0 330.319 2.532 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccn(CC(C)C)n2)n1 ZINC000892624170 718352184 /nfs/dbraw/zinc/35/21/84/718352184.db2.gz KJOKZXAAXNAANZ-LLVKDONJSA-N -1 0 346.412 2.662 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000180728364 718369669 /nfs/dbraw/zinc/36/96/69/718369669.db2.gz GUROICPAZLNSRC-UHFFFAOYSA-N -1 0 334.224 2.992 20 30 EFEDRM N#Cc1sc(N[C@H]2C[C@@H](NC(=O)c3ccccc3O)C2)nc1Cl ZINC001059554631 724512840 /nfs/dbraw/zinc/51/28/40/724512840.db2.gz UZSAMBGUKYFQDV-DTORHVGOSA-N -1 0 348.815 2.747 20 30 EFEDRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178550904 719149632 /nfs/dbraw/zinc/14/96/32/719149632.db2.gz HNUQZCNXHSSVTE-ZIAGYGMSSA-N -1 0 346.433 2.537 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)cc(C)c2OC)CC1 ZINC000892981515 719387074 /nfs/dbraw/zinc/38/70/74/719387074.db2.gz MDJZNILCUOSJCO-UHFFFAOYSA-N -1 0 337.441 2.863 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(C)(C)CC#N)c1Cl ZINC000840895895 719396288 /nfs/dbraw/zinc/39/62/88/719396288.db2.gz AFWKEHFCWRDKTO-UHFFFAOYSA-N -1 0 344.820 2.565 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(F)cc2F)CC1 ZINC000893035380 719505053 /nfs/dbraw/zinc/50/50/53/719505053.db2.gz ZQMYBBBNNKHNHG-UHFFFAOYSA-N -1 0 343.395 2.797 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2nnc(C)o2)c1 ZINC000162297931 719700552 /nfs/dbraw/zinc/70/05/52/719700552.db2.gz YAXVRCGMIOETOQ-HNNXBMFYSA-N -1 0 340.383 2.674 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1ccc2ccccc2c1 ZINC000122713383 719718956 /nfs/dbraw/zinc/71/89/56/719718956.db2.gz QCYQGIDZOCTOBA-MRXNPFEDSA-N -1 0 333.347 2.544 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000122804758 719796311 /nfs/dbraw/zinc/79/63/11/719796311.db2.gz UNNOYDAOTXMZPT-HNNXBMFYSA-N -1 0 346.346 2.813 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000120197791 719985864 /nfs/dbraw/zinc/98/58/64/719985864.db2.gz ONGRXKWIXKHDIU-UHFFFAOYSA-N -1 0 329.466 2.592 20 30 EFEDRM CCOC(=O)N1CCC([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000189352348 720602536 /nfs/dbraw/zinc/60/25/36/720602536.db2.gz JJEGXFLEGMPGFG-MBNTZHJCSA-N -1 0 349.387 2.976 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)c(F)c2)C(=O)O1 ZINC000162539771 720654104 /nfs/dbraw/zinc/65/41/04/720654104.db2.gz UPZULCNWSKEOLI-PMUGQKEBSA-N -1 0 340.253 2.655 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000178768483 720760066 /nfs/dbraw/zinc/76/00/66/720760066.db2.gz IVHLMIHIVKVHCX-UHFFFAOYSA-N -1 0 336.376 2.644 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc2cc(C)cc(Br)c2o1 ZINC000123195547 720823368 /nfs/dbraw/zinc/82/33/68/720823368.db2.gz VMWXQQOTUVRXSA-VIFPVBQESA-N -1 0 335.157 2.572 20 30 EFEDRM O=C([O-])C1(c2cccc(Br)c2)CC(=NNCC(F)F)C1 ZINC000814854089 721261035 /nfs/dbraw/zinc/26/10/35/721261035.db2.gz CJTKSUTYPLCLEC-UHFFFAOYSA-N -1 0 347.159 2.776 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000179780280 724771417 /nfs/dbraw/zinc/77/14/17/724771417.db2.gz SHLFBJPGPRCCJR-LLVKDONJSA-N -1 0 331.441 2.697 20 30 EFEDRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000048513969 722601537 /nfs/dbraw/zinc/60/15/37/722601537.db2.gz RAZCQXFBORKUMY-XCBNKYQSSA-N -1 0 332.303 2.878 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000048554245 722636694 /nfs/dbraw/zinc/63/66/94/722636694.db2.gz OXDZAOCFWSORCM-UHFFFAOYSA-N -1 0 343.430 2.817 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000140275229 722672993 /nfs/dbraw/zinc/67/29/93/722672993.db2.gz JRMPGTRQRNAORQ-ZDUSSCGKSA-N -1 0 327.409 2.653 20 30 EFEDRM N#CCCn1cc(C=NNc2[n-]cnc3ncnc2-3)c2ccccc21 ZINC000917555406 728759421 /nfs/dbraw/zinc/75/94/21/728759421.db2.gz ZAJOAGYIKDHIAB-UHFFFAOYSA-N -1 0 330.355 2.667 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000727747375 723091182 /nfs/dbraw/zinc/09/11/82/723091182.db2.gz JGEANBIQRSXQJP-HJWRWDBZSA-N -1 0 332.319 2.553 20 30 EFEDRM O=C(CSc1ccncc1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000078769872 723111814 /nfs/dbraw/zinc/11/18/14/723111814.db2.gz SAKVXHGDNVHWCW-UHFFFAOYSA-N -1 0 326.374 2.658 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(OC)c1 ZINC000262106634 723193741 /nfs/dbraw/zinc/19/37/41/723193741.db2.gz FAJGJXNGQJVPPJ-CYBMUJFWSA-N -1 0 347.411 2.514 20 30 EFEDRM C[C@@H](CCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000178953165 723197323 /nfs/dbraw/zinc/19/73/23/723197323.db2.gz FCCNDWNXZPHDBL-AWEZNQCLSA-N -1 0 342.420 2.947 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000182646391 723234586 /nfs/dbraw/zinc/23/45/86/723234586.db2.gz SEFWJNHOWUUGMU-LBPRGKRZSA-N -1 0 331.441 2.546 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC000918011688 728818512 /nfs/dbraw/zinc/81/85/12/728818512.db2.gz ZAUQFXHIHXORTL-ZDUSSCGKSA-N -1 0 330.400 2.722 20 30 EFEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126918608 723468904 /nfs/dbraw/zinc/46/89/04/723468904.db2.gz TWAGNCRNURVECK-QGZVFWFLSA-N -1 0 349.390 2.674 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000181302395 728842444 /nfs/dbraw/zinc/84/24/44/728842444.db2.gz RZFBOGNUZLJKIF-UHFFFAOYSA-N -1 0 335.381 2.580 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000918154737 728847031 /nfs/dbraw/zinc/84/70/31/728847031.db2.gz ADKUMOHGXRUVOO-IZZDOVSWSA-N -1 0 344.388 2.613 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2Br)C(=O)O1 ZINC000794689694 723831833 /nfs/dbraw/zinc/83/18/33/723831833.db2.gz CPLAQDSAUMKFOD-QAVQXKDTSA-N -1 0 341.182 2.739 20 30 EFEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226012 723854657 /nfs/dbraw/zinc/85/46/57/723854657.db2.gz DFBCBXRYLSCQNV-VSMYLPJWSA-N -1 0 339.351 2.999 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000130572626 728859114 /nfs/dbraw/zinc/85/91/14/728859114.db2.gz LUEFIIGLDUVLPL-CQSZACIVSA-N -1 0 332.400 2.721 20 30 EFEDRM CCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000751134717 723958017 /nfs/dbraw/zinc/95/80/17/723958017.db2.gz NBFMYALBXWZDHA-UHFFFAOYSA-N -1 0 339.446 2.927 20 30 EFEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000918536012 728886157 /nfs/dbraw/zinc/88/61/57/728886157.db2.gz OGFHIENMWLSWFK-UHFFFAOYSA-N -1 0 348.346 2.962 20 30 EFEDRM COc1cc(C)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1OC ZINC000751516763 724329224 /nfs/dbraw/zinc/32/92/24/724329224.db2.gz RXLJPUUWHRRDOT-UHFFFAOYSA-N -1 0 346.334 2.793 20 30 EFEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069523072 728941340 /nfs/dbraw/zinc/94/13/40/728941340.db2.gz HWWIIOONPCDYEF-UHFFFAOYSA-N -1 0 340.382 2.934 20 30 EFEDRM COc1cc(C=NNCCCOc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000729148637 725463855 /nfs/dbraw/zinc/46/38/55/725463855.db2.gz CRXPEQBMZVZMHB-UHFFFAOYSA-N -1 0 345.355 2.702 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000730406036 726127841 /nfs/dbraw/zinc/12/78/41/726127841.db2.gz SVGADUANEOVJRJ-UHFFFAOYSA-N -1 0 348.811 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)cc1Cl ZINC000730407441 726128241 /nfs/dbraw/zinc/12/82/41/726128241.db2.gz KYDUWKSUQHOXQS-UHFFFAOYSA-N -1 0 345.163 2.577 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054488179 726350149 /nfs/dbraw/zinc/35/01/49/726350149.db2.gz YQEWVKADPSCYFR-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000054491872 726355496 /nfs/dbraw/zinc/35/54/96/726355496.db2.gz WNIPQFIKXQILHD-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM COC(=O)c1ccc(OCC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000731155847 726813671 /nfs/dbraw/zinc/81/36/71/726813671.db2.gz VHVMEMSMPAORIT-WOJGMQOQSA-N -1 0 344.323 2.585 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731546774 726891887 /nfs/dbraw/zinc/89/18/87/726891887.db2.gz SCGSZTGYIPMJPV-AWEZNQCLSA-N -1 0 333.319 2.505 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2\COc3ccc(F)cc3C2=O)cc1 ZINC000731565125 726892773 /nfs/dbraw/zinc/89/27/73/726892773.db2.gz FQRRAJNQBPMWAA-KPKJPENVSA-N -1 0 328.295 2.948 20 30 EFEDRM CC(=NNC(=S)N(C)C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000731562515 726892958 /nfs/dbraw/zinc/89/29/58/726892958.db2.gz BJQWNJQJZZKLAZ-UHFFFAOYSA-N -1 0 331.397 2.805 20 30 EFEDRM O=[N+]([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)nn2)cc1[O-] ZINC000754709083 726915605 /nfs/dbraw/zinc/91/56/05/726915605.db2.gz JAPUHFOMOYLOSG-UHFFFAOYSA-N -1 0 327.222 2.555 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CCSCC1 ZINC000907608343 726970136 /nfs/dbraw/zinc/97/01/36/726970136.db2.gz GBRVXSAOIHEYFZ-UHFFFAOYSA-N -1 0 348.424 2.906 20 30 EFEDRM N#CC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCSCC1 ZINC000907740868 726999381 /nfs/dbraw/zinc/99/93/81/726999381.db2.gz GMWAFAHJACVKCS-UONOGXRCSA-N -1 0 330.409 2.850 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000129135456 727038593 /nfs/dbraw/zinc/03/85/93/727038593.db2.gz POZIPSGRAXBBHL-SFHVURJKSA-N -1 0 334.375 2.867 20 30 EFEDRM CCCCCCCCC/C=C/C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000907943300 727058891 /nfs/dbraw/zinc/05/88/91/727058891.db2.gz HBOBLLZGTZKFFC-ZHACJKMWSA-N -1 0 349.479 2.707 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000193615240 727059147 /nfs/dbraw/zinc/05/91/47/727059147.db2.gz OXFQFYVKMJQRDY-HNNXBMFYSA-N -1 0 329.787 2.816 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@@H]2CCCCO2)n1 ZINC000732380743 727066882 /nfs/dbraw/zinc/06/68/82/727066882.db2.gz BRJDCUAIKOQZDY-QWHCGFSZSA-N -1 0 336.413 2.520 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(OC)c1 ZINC000908019224 727076763 /nfs/dbraw/zinc/07/67/63/727076763.db2.gz ZMVQPROTXFPAGG-INIZCTEOSA-N -1 0 349.427 2.808 20 30 EFEDRM CC(=O)c1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000915565395 727095848 /nfs/dbraw/zinc/09/58/48/727095848.db2.gz UJKGSRMJXDMHPM-AWEZNQCLSA-N -1 0 342.376 2.687 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000732496361 727125843 /nfs/dbraw/zinc/12/58/43/727125843.db2.gz SGFDNIFNRLSCSS-LLVKDONJSA-N -1 0 346.337 2.882 20 30 EFEDRM N#C[C@@]1(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC2CCC1CC2 ZINC000908238966 727139338 /nfs/dbraw/zinc/13/93/38/727139338.db2.gz ZRJFEGNPGQPXNL-TXTJOAKRSA-N -1 0 340.423 2.909 20 30 EFEDRM C=CCOc1cccnc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908339000 727162461 /nfs/dbraw/zinc/16/24/61/727162461.db2.gz UAPKSQRXGHHJEP-UHFFFAOYSA-N -1 0 332.400 2.801 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@@]2(CCC)C(=O)[O-])cc1 ZINC000908623098 727227124 /nfs/dbraw/zinc/22/71/24/727227124.db2.gz ZRIILCXYOLDZMU-SFHVURJKSA-N -1 0 330.384 2.950 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC000908616860 727232186 /nfs/dbraw/zinc/23/21/86/727232186.db2.gz CRQOATNLSFJDCQ-OAHLLOKOSA-N -1 0 327.384 2.895 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000908768632 727260126 /nfs/dbraw/zinc/26/01/26/727260126.db2.gz LERIRPMANNBGTK-UHFFFAOYSA-N -1 0 342.317 2.563 20 30 EFEDRM CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000732899976 727270021 /nfs/dbraw/zinc/27/00/21/727270021.db2.gz DLDRKTYNYXOWEH-MRXNPFEDSA-N -1 0 342.420 2.632 20 30 EFEDRM CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000732900166 727270029 /nfs/dbraw/zinc/27/00/29/727270029.db2.gz YAGWGNZZIVSOID-MRXNPFEDSA-N -1 0 342.420 2.632 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1csc(C(C)C)n1)C(=O)[O-] ZINC000908918875 727283249 /nfs/dbraw/zinc/28/32/49/727283249.db2.gz QAKIANPBJCKWAX-GFCCVEGCSA-N -1 0 325.434 2.528 20 30 EFEDRM CC#CCCNC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000909032472 727307619 /nfs/dbraw/zinc/30/76/19/727307619.db2.gz UPAWIVGVAQTESA-UHFFFAOYSA-N -1 0 342.317 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000909059856 727316131 /nfs/dbraw/zinc/31/61/31/727316131.db2.gz IJMPTVLIHLTSME-ULQDDVLXSA-N -1 0 346.427 2.668 20 30 EFEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129259816 727333305 /nfs/dbraw/zinc/33/33/05/727333305.db2.gz ZGWPODWRJDXLHK-JTQLQIEISA-N -1 0 331.422 2.781 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000909188197 727339526 /nfs/dbraw/zinc/33/95/26/727339526.db2.gz SMCGYNGNIDSPQQ-GOSISDBHSA-N -1 0 330.384 2.893 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)C(=O)[O-] ZINC000909162492 727339811 /nfs/dbraw/zinc/33/98/11/727339811.db2.gz WAFSMGHSNDNZCD-HOTGVXAUSA-N -1 0 348.443 2.507 20 30 EFEDRM C=CCC[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909712393 727366145 /nfs/dbraw/zinc/36/61/45/727366145.db2.gz JJFZNCZQUFARLV-STQMWFEESA-N -1 0 346.210 2.953 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cn(CC)nc1-c1ccccc1)C(=O)[O-] ZINC000909715313 727366620 /nfs/dbraw/zinc/36/66/20/727366620.db2.gz LNJKMMLKYNZIBR-HNNXBMFYSA-N -1 0 327.384 2.719 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC000909717274 727368074 /nfs/dbraw/zinc/36/80/74/727368074.db2.gz GSHBCJLRCRXZDS-MRVPVSSYSA-N -1 0 339.442 2.573 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC000909770312 727373521 /nfs/dbraw/zinc/37/35/21/727373521.db2.gz FDXRWGBJRZGENH-PBHICJAKSA-N -1 0 348.443 2.837 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)OCC ZINC000909855506 727386021 /nfs/dbraw/zinc/38/60/21/727386021.db2.gz HBYZQVAJCDDGFE-APWZRJJASA-N -1 0 331.412 2.613 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000909844525 727389211 /nfs/dbraw/zinc/38/92/11/727389211.db2.gz DXISXRYVGQOCOK-MOPGFXCFSA-N -1 0 333.428 2.764 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000910053116 727406047 /nfs/dbraw/zinc/40/60/47/727406047.db2.gz BXHQDTCRHFZLFO-CQSZACIVSA-N -1 0 335.787 2.868 20 30 EFEDRM C#CC[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000910052990 727406124 /nfs/dbraw/zinc/40/61/24/727406124.db2.gz MAPWFYXEPSRECI-ZDUSSCGKSA-N -1 0 330.409 2.602 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055124 727406197 /nfs/dbraw/zinc/40/61/97/727406197.db2.gz XUOCCUSHGZCRHA-GWCFXTLKSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CCO[C@H](C)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910036570 727406682 /nfs/dbraw/zinc/40/66/82/727406682.db2.gz JWRHUTIHYSHPDX-CRAIPNDOSA-N -1 0 343.423 2.522 20 30 EFEDRM C#CCO[C@H](C)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910036578 727406697 /nfs/dbraw/zinc/40/66/97/727406697.db2.gz JWRHUTIHYSHPDX-QAPCUYQASA-N -1 0 343.423 2.522 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910036576 727406714 /nfs/dbraw/zinc/40/67/14/727406714.db2.gz JWRHUTIHYSHPDX-MAUKXSAKSA-N -1 0 343.423 2.522 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910045940 727407939 /nfs/dbraw/zinc/40/79/39/727407939.db2.gz HSPNFMWTKHWTAZ-JSGCOSHPSA-N -1 0 341.329 2.867 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910045939 727407954 /nfs/dbraw/zinc/40/79/54/727407954.db2.gz HSPNFMWTKHWTAZ-GXTWGEPZSA-N -1 0 341.329 2.867 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910073110 727410273 /nfs/dbraw/zinc/41/02/73/727410273.db2.gz UPOONXDAIWTSBL-GOSISDBHSA-N -1 0 341.407 2.935 20 30 EFEDRM N#CCc1cccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)c1 ZINC000910115550 727413838 /nfs/dbraw/zinc/41/38/38/727413838.db2.gz ZDVGPTFZTFVYST-AWEZNQCLSA-N -1 0 341.392 2.885 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000910210496 727421495 /nfs/dbraw/zinc/42/14/95/727421495.db2.gz WHMJAJOYQOFBBT-SFHVURJKSA-N -1 0 335.375 2.637 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000910240580 727422693 /nfs/dbraw/zinc/42/26/93/727422693.db2.gz AZFWAYMKNYTLOP-UHFFFAOYSA-N -1 0 341.411 2.966 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000910292070 727430828 /nfs/dbraw/zinc/43/08/28/727430828.db2.gz BUNITXNYNCVYCQ-AWEZNQCLSA-N -1 0 335.400 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCCOC)cc1Cl)C(=O)[O-] ZINC000910295055 727431125 /nfs/dbraw/zinc/43/11/25/727431125.db2.gz UHJOILFPHDMOTJ-CQSZACIVSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1 ZINC000910515752 727446996 /nfs/dbraw/zinc/44/69/96/727446996.db2.gz GQAGGOFQLKMSMF-INIZCTEOSA-N -1 0 327.384 2.795 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910614551 727453342 /nfs/dbraw/zinc/45/33/42/727453342.db2.gz BAFAYDKOYBKQQR-UVYBKSOCSA-N -1 0 343.423 2.875 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910728966 727460124 /nfs/dbraw/zinc/46/01/24/727460124.db2.gz FPSXYRXBFHKCAC-ZYHUDNBSSA-N -1 0 338.429 2.794 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1)OCC ZINC000910776821 727464730 /nfs/dbraw/zinc/46/47/30/727464730.db2.gz YWQHTFBVYPMFKF-WBVHZDCISA-N -1 0 335.400 2.651 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NCC(C)(C)CC(=O)[O-])cc1OC ZINC000910823580 727466452 /nfs/dbraw/zinc/46/64/52/727466452.db2.gz HTXRCXVKPOJSTE-VQHVLOKHSA-N -1 0 347.411 2.890 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc(OC)c1OC ZINC000910863499 727469219 /nfs/dbraw/zinc/46/92/19/727469219.db2.gz IELHKNYHUFKVQO-IUODEOHRSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1oc(Br)cc1C)C(=O)[O-] ZINC000910913809 727471644 /nfs/dbraw/zinc/47/16/44/727471644.db2.gz DERBMEKRKGSFTC-SECBINFHSA-N -1 0 330.178 2.890 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000910915013 727471753 /nfs/dbraw/zinc/47/17/53/727471753.db2.gz RYVWGCIQLJBCFV-JTQLQIEISA-N -1 0 327.812 2.736 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCCn1cnc2ccccc21)C(=O)[O-] ZINC000910914532 727471792 /nfs/dbraw/zinc/47/17/92/727471792.db2.gz IGEXWFHWZRHBAJ-OAHLLOKOSA-N -1 0 329.400 2.742 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000910917169 727472067 /nfs/dbraw/zinc/47/20/67/727472067.db2.gz NAYQCWPXBMYFHK-CABCVRRESA-N -1 0 338.835 2.868 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910923282 727472225 /nfs/dbraw/zinc/47/22/25/727472225.db2.gz RQTDBMMTYTUOPO-NVXWUHKLSA-N -1 0 331.412 2.726 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000910925673 727472343 /nfs/dbraw/zinc/47/23/43/727472343.db2.gz NIEHIALKVRWJJH-BPUTZDHNSA-N -1 0 347.411 2.733 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1C)C(=O)[O-] ZINC000910924374 727472351 /nfs/dbraw/zinc/47/23/51/727472351.db2.gz ASDQBLAAIBJQKC-HNNXBMFYSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCN(c2ccccc2F)C1)C(=O)[O-] ZINC000910924852 727472383 /nfs/dbraw/zinc/47/23/83/727472383.db2.gz FKZQRPRBRDHRQY-HIFRSBDPSA-N -1 0 334.391 2.578 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)OCC ZINC000911045379 727489832 /nfs/dbraw/zinc/48/98/32/727489832.db2.gz LQLKOQUOXNKABC-RYUDHWBXSA-N -1 0 338.429 2.529 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)OCC ZINC000911045382 727489836 /nfs/dbraw/zinc/48/98/36/727489836.db2.gz LQLKOQUOXNKABC-VXGBXAGGSA-N -1 0 338.429 2.529 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)OCC ZINC000911045370 727489895 /nfs/dbraw/zinc/48/98/95/727489895.db2.gz LQLKOQUOXNKABC-NEPJUHHUSA-N -1 0 338.429 2.529 20 30 EFEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccn1 ZINC000911132710 727499819 /nfs/dbraw/zinc/49/98/19/727499819.db2.gz PYDTUKOVLJEIDD-GFCCVEGCSA-N -1 0 328.397 2.657 20 30 EFEDRM C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000911354914 727529954 /nfs/dbraw/zinc/52/99/54/727529954.db2.gz ZHMGLKGYMNMBEC-UHFFFAOYSA-N -1 0 336.819 2.809 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911369630 727534336 /nfs/dbraw/zinc/53/43/36/727534336.db2.gz YJYTYCWMYGPPJY-UHFFFAOYSA-N -1 0 341.407 2.740 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCSCC(=O)[O-] ZINC000911748366 727592746 /nfs/dbraw/zinc/59/27/46/727592746.db2.gz QLPPUKQUZPMGQI-UHFFFAOYSA-N -1 0 339.461 2.577 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000915920729 727640047 /nfs/dbraw/zinc/64/00/47/727640047.db2.gz IOLJMXCCZRPHHA-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1ccc(CC(=O)[O-])cc1 ZINC000915942917 727643432 /nfs/dbraw/zinc/64/34/32/727643432.db2.gz NGTOFTGQDRKNPU-UHFFFAOYSA-N -1 0 341.436 2.702 20 30 EFEDRM COC(=O)COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000915980184 727645092 /nfs/dbraw/zinc/64/50/92/727645092.db2.gz YLBWFEWMWPAQRN-UHFFFAOYSA-N -1 0 330.296 2.603 20 30 EFEDRM C=CCN1C(=O)/C(=C\c2ccc(OCCC(=O)[O-])cc2)SC1=S ZINC000915982569 727645425 /nfs/dbraw/zinc/64/54/25/727645425.db2.gz LJPITQRYIPWRJI-JLHYYAGUSA-N -1 0 349.433 2.927 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1CC(=O)[O-] ZINC000915985287 727645861 /nfs/dbraw/zinc/64/58/61/727645861.db2.gz KVOGVAZUENORPW-FNORWQNLSA-N -1 0 340.331 2.947 20 30 EFEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000916255283 727669809 /nfs/dbraw/zinc/66/98/09/727669809.db2.gz OSLRQKLOTGRGRS-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000916244845 727670722 /nfs/dbraw/zinc/67/07/22/727670722.db2.gz BCKVOQCJCBIZET-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000916276068 727672765 /nfs/dbraw/zinc/67/27/65/727672765.db2.gz ITSNWTHCQYEMFM-JQWIXIFHSA-N -1 0 336.417 2.677 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000916277572 727672873 /nfs/dbraw/zinc/67/28/73/727672873.db2.gz LSKQYOZDTGOQTA-TZMCWYRMSA-N -1 0 349.456 2.527 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccc(F)cc3)o2)c1=O ZINC000916303526 727675158 /nfs/dbraw/zinc/67/51/58/727675158.db2.gz LBBHOTLJVFZTCB-UHFFFAOYSA-N -1 0 330.344 2.517 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000916313815 727676455 /nfs/dbraw/zinc/67/64/55/727676455.db2.gz FKHVJIQDSBHQDS-UHFFFAOYSA-N -1 0 347.381 2.791 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OCCC ZINC000129420175 727704600 /nfs/dbraw/zinc/70/46/00/727704600.db2.gz WPBXGWCXQGPBKZ-HNNXBMFYSA-N -1 0 344.411 2.865 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000916917756 727741746 /nfs/dbraw/zinc/74/17/46/727741746.db2.gz NCDKEIWZOICLQV-NSHDSACASA-N -1 0 328.315 2.923 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000916917713 727741751 /nfs/dbraw/zinc/74/17/51/727741751.db2.gz MNGSXTNUTJZLHZ-LBPRGKRZSA-N -1 0 329.356 2.574 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccccc2N2CCOCC2)cc1 ZINC000912773526 727742264 /nfs/dbraw/zinc/74/22/64/727742264.db2.gz XGEPXJSOCCBWTK-UHFFFAOYSA-N -1 0 325.368 2.667 20 30 EFEDRM CNC(=O)c1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000912777753 727742747 /nfs/dbraw/zinc/74/27/47/727742747.db2.gz OHCZTBYEQVOORP-UHFFFAOYSA-N -1 0 331.759 2.844 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccccc3F)s2)c1=O ZINC000912785175 727744191 /nfs/dbraw/zinc/74/41/91/727744191.db2.gz SNJKEKFANIJIJL-UHFFFAOYSA-N -1 0 346.412 2.985 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000917044539 727756572 /nfs/dbraw/zinc/75/65/72/727756572.db2.gz JOZJGVJFARBZAW-CYBMUJFWSA-N -1 0 341.323 2.722 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913494794 727849636 /nfs/dbraw/zinc/84/96/36/727849636.db2.gz CTDUSWOSPXGPAC-LSDHHAIUSA-N -1 0 337.468 2.876 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000183133620 727974903 /nfs/dbraw/zinc/97/49/03/727974903.db2.gz RLJVIUALPFYWFS-GFCCVEGCSA-N -1 0 327.365 2.650 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000183133605 727974989 /nfs/dbraw/zinc/97/49/89/727974989.db2.gz RLJVIUALPFYWFS-LBPRGKRZSA-N -1 0 327.365 2.650 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000183136391 727975290 /nfs/dbraw/zinc/97/52/90/727975290.db2.gz TWHGGSUACJCGOH-LBPRGKRZSA-N -1 0 332.381 2.787 20 30 EFEDRM Cc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000164779265 727980124 /nfs/dbraw/zinc/98/01/24/727980124.db2.gz UALCIOBKCWSNIS-CSPWOOARSA-N -1 0 349.180 2.986 20 30 EFEDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)s1 ZINC000058045011 728130957 /nfs/dbraw/zinc/13/09/57/728130957.db2.gz GNRSQPDPJPQZQN-UHFFFAOYSA-N -1 0 344.458 2.610 20 30 EFEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000058068692 728136660 /nfs/dbraw/zinc/13/66/60/728136660.db2.gz MMRPSONVGYFEJC-UHFFFAOYSA-N -1 0 346.474 2.508 20 30 EFEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)ccc1F ZINC000058081057 728140533 /nfs/dbraw/zinc/14/05/33/728140533.db2.gz XTWWQIGCJIUVPX-UHFFFAOYSA-N -1 0 342.392 2.751 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000058115823 728144888 /nfs/dbraw/zinc/14/48/88/728144888.db2.gz RVQQXDTZNPFGNB-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1 ZINC000167731939 728227349 /nfs/dbraw/zinc/22/73/49/728227349.db2.gz XMCNDWCQIAFIIQ-OAHLLOKOSA-N -1 0 337.379 2.508 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1-c1ccccn1 ZINC000167805779 728233438 /nfs/dbraw/zinc/23/34/38/728233438.db2.gz AQMHVCKQFMWRQE-HNNXBMFYSA-N -1 0 337.379 2.604 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)cc1 ZINC000046927157 728325396 /nfs/dbraw/zinc/32/53/96/728325396.db2.gz RAKTWJLUQYTRNH-UHFFFAOYSA-N -1 0 338.410 2.594 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000076761407 728384675 /nfs/dbraw/zinc/38/46/75/728384675.db2.gz KIZFEOUYAHNJFT-SECBINFHSA-N -1 0 339.392 2.625 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1F ZINC000170671980 728463777 /nfs/dbraw/zinc/46/37/77/728463777.db2.gz ZATLHSNEMJFHQP-GFCCVEGCSA-N -1 0 346.383 2.696 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000170671619 728463851 /nfs/dbraw/zinc/46/38/51/728463851.db2.gz PZHFHIJJSVUHHZ-GFCCVEGCSA-N -1 0 346.383 2.696 20 30 EFEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000061069680 728475135 /nfs/dbraw/zinc/47/51/35/728475135.db2.gz FVBIAJVMBRCXOS-UHFFFAOYSA-N -1 0 340.445 2.705 20 30 EFEDRM CCSc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cn1 ZINC000171035518 728509659 /nfs/dbraw/zinc/50/96/59/728509659.db2.gz OFRNJGJYJQWTKU-HNNXBMFYSA-N -1 0 339.420 2.832 20 30 EFEDRM CC(C)c1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000171146037 728519471 /nfs/dbraw/zinc/51/94/71/728519471.db2.gz HLWBUZXFUIADGS-ZDUSSCGKSA-N -1 0 327.409 2.905 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2ccco2)s1 ZINC000171482307 728535532 /nfs/dbraw/zinc/53/55/32/728535532.db2.gz ITRAOELRXWSFAR-JTQLQIEISA-N -1 0 338.348 2.759 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1C(F)(F)F ZINC000173891516 728639685 /nfs/dbraw/zinc/63/96/85/728639685.db2.gz JWMAKQHNCUDGKM-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM C=C1CCC(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)CC1 ZINC000913557572 728639819 /nfs/dbraw/zinc/63/98/19/728639819.db2.gz BVAMTFDRWGMKQQ-HNNXBMFYSA-N -1 0 326.400 2.657 20 30 EFEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000173935186 728640932 /nfs/dbraw/zinc/64/09/32/728640932.db2.gz MGCNMQMSHNSXAZ-KRWDZBQOSA-N -1 0 326.396 2.976 20 30 EFEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000173911634 728641460 /nfs/dbraw/zinc/64/14/60/728641460.db2.gz MPPZXUSCPCEQBE-KRWDZBQOSA-N -1 0 342.420 2.803 20 30 EFEDRM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1Br ZINC000173956310 728642918 /nfs/dbraw/zinc/64/29/18/728642918.db2.gz DIZRHGQAXXXNND-CSPWOOARSA-N -1 0 349.180 2.986 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cccc(OCC=C(C)C)c1 ZINC000173938364 728643736 /nfs/dbraw/zinc/64/37/36/728643736.db2.gz VIVIRZLOMHYEIT-QGZVFWFLSA-N -1 0 344.411 2.507 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571565 729003779 /nfs/dbraw/zinc/00/37/79/729003779.db2.gz JYMKKMAQGWSWQD-QMMMGPOBSA-N -1 0 325.308 2.776 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(O)cc2)n1 ZINC000919527920 729040796 /nfs/dbraw/zinc/04/07/96/729040796.db2.gz POSDURVAXNQDCN-AWEZNQCLSA-N -1 0 344.392 2.509 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000155028163 729052643 /nfs/dbraw/zinc/05/26/43/729052643.db2.gz FXLZMZXCZZHFNN-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000069621998 729074108 /nfs/dbraw/zinc/07/41/08/729074108.db2.gz LEFFUHUBRAEVEH-UHFFFAOYSA-N -1 0 337.319 2.777 20 30 EFEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)n2n1 ZINC000920115842 729146806 /nfs/dbraw/zinc/14/68/06/729146806.db2.gz MGSKYWMPPZMTPE-GFCCVEGCSA-N -1 0 331.335 2.977 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000920838202 729236415 /nfs/dbraw/zinc/23/64/15/729236415.db2.gz CNZUDSKTKFUCLC-LLVKDONJSA-N -1 0 349.799 2.904 20 30 EFEDRM CCN(CCO)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000920945711 729245493 /nfs/dbraw/zinc/24/54/93/729245493.db2.gz BHSRUDWMSGCDMA-UHFFFAOYSA-N -1 0 329.356 2.870 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000064683619 729509282 /nfs/dbraw/zinc/50/92/82/729509282.db2.gz QCLXGFSAJNHKCE-QMMMGPOBSA-N -1 0 330.337 2.815 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000175686309 729516278 /nfs/dbraw/zinc/51/62/78/729516278.db2.gz QGBOYDAYSIFMHR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000175685951 729516485 /nfs/dbraw/zinc/51/64/85/729516485.db2.gz AJQPAHOPQRRJNX-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc2oc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2n1 ZINC000179611855 729600064 /nfs/dbraw/zinc/60/00/64/729600064.db2.gz KOSZNCLJRLIIPZ-CQSZACIVSA-N -1 0 333.347 2.775 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000179734826 729619237 /nfs/dbraw/zinc/61/92/37/729619237.db2.gz XHYMPMUVYFJTFN-UHFFFAOYSA-N -1 0 327.296 2.580 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000179787872 729626328 /nfs/dbraw/zinc/62/63/28/729626328.db2.gz OTUGXBIDDCPVJE-INIZCTEOSA-N -1 0 341.411 2.738 20 30 EFEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000179976022 729660846 /nfs/dbraw/zinc/66/08/46/729660846.db2.gz JOAPLQFGORFKSC-QGZVFWFLSA-N -1 0 327.428 2.868 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000179976593 729661196 /nfs/dbraw/zinc/66/11/96/729661196.db2.gz HJODHUWZWHCHPO-MRXNPFEDSA-N -1 0 331.416 2.888 20 30 EFEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000180029446 729670829 /nfs/dbraw/zinc/67/08/29/729670829.db2.gz XTCHZHYEYYABNH-INIZCTEOSA-N -1 0 338.411 2.862 20 30 EFEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000068490756 729705487 /nfs/dbraw/zinc/70/54/87/729705487.db2.gz DEOIIKPUUSOZQU-LLVKDONJSA-N -1 0 345.417 2.554 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001465105489 804069293 /nfs/dbraw/zinc/06/92/93/804069293.db2.gz CVLXFXZPUVPYGU-KGLIPLIRSA-N -1 0 343.470 2.709 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000780574245 939135847 /nfs/dbraw/zinc/13/58/47/939135847.db2.gz DFYHNPTZYYWOCO-QGZVFWFLSA-N -1 0 344.411 2.531 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000780575638 939136568 /nfs/dbraw/zinc/13/65/68/939136568.db2.gz DVSCOSSXJGHXBW-JKSUJKDBSA-N -1 0 325.368 2.824 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797731764 939195286 /nfs/dbraw/zinc/19/52/86/939195286.db2.gz HXKANGFYFLXMQW-QGZVFWFLSA-N -1 0 342.395 2.857 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000797742537 939204688 /nfs/dbraw/zinc/20/46/88/939204688.db2.gz BEJMFYWTOSBNFC-AWEZNQCLSA-N -1 0 330.365 2.708 20 30 EFEDRM CCCCCCCNC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000864531004 939255748 /nfs/dbraw/zinc/25/57/48/939255748.db2.gz SGPZRZOLAVBBQK-CXAGYDPISA-N -1 0 328.453 2.914 20 30 EFEDRM C=CCCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000905541670 939293766 /nfs/dbraw/zinc/29/37/66/939293766.db2.gz DXXADTSCUXPDAP-LLVKDONJSA-N -1 0 332.278 2.586 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)c1ccccc1 ZINC000929045834 939802014 /nfs/dbraw/zinc/80/20/14/939802014.db2.gz SBFAPJQMABIKRU-YESZJQIVSA-N -1 0 346.427 2.873 20 30 EFEDRM N#CC[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001601060405 970925882 /nfs/dbraw/zinc/92/58/82/970925882.db2.gz GMCXXWZUAUUIFK-MSOLQXFVSA-N -1 0 336.391 2.886 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001601074087 970927408 /nfs/dbraw/zinc/92/74/08/970927408.db2.gz IPWYFAFBNZBETC-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM Cc1ccsc1-c1nsc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC001611215822 970940267 /nfs/dbraw/zinc/94/02/67/970940267.db2.gz RMXVRNYFQWSMBE-CYBMUJFWSA-N -1 0 336.398 2.518 20 30 EFEDRM C#C[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001602673503 971240615 /nfs/dbraw/zinc/24/06/15/971240615.db2.gz VNUFHORNINJEQU-RNCFNFMXSA-N -1 0 326.755 2.516 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001602679583 971261447 /nfs/dbraw/zinc/26/14/47/971261447.db2.gz UBISECGXYJFNGF-UHFFFAOYSA-N -1 0 336.121 2.632 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001602692280 971302166 /nfs/dbraw/zinc/30/21/66/971302166.db2.gz JLOTUHNXMVPJGY-UHFFFAOYSA-N -1 0 348.811 2.547 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001602692691 971305409 /nfs/dbraw/zinc/30/54/09/971305409.db2.gz WIYYEABHMURAGJ-UHFFFAOYSA-N -1 0 329.302 2.792 20 30 EFEDRM C#CCOc1ccc(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001602704801 971337470 /nfs/dbraw/zinc/33/74/70/971337470.db2.gz ULYUPCFFPJJAOP-CSKARUKUSA-N -1 0 326.304 2.746 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2)OCC ZINC001602707208 971342629 /nfs/dbraw/zinc/34/26/29/971342629.db2.gz MGVKDEFEFFVCLH-LLVKDONJSA-N -1 0 339.413 2.829 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602709999 971349314 /nfs/dbraw/zinc/34/93/14/971349314.db2.gz OBBILJRNPOIXIY-SFHVURJKSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCC[C@@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC001602719136 971381935 /nfs/dbraw/zinc/38/19/35/971381935.db2.gz RUUHEJDHJAJJRI-MRXNPFEDSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001602721971 971384814 /nfs/dbraw/zinc/38/48/14/971384814.db2.gz LDESALMHKVSQJH-CZUORRHYSA-N -1 0 337.441 2.679 20 30 EFEDRM C[C@@H](C#N)CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CC1 ZINC001602786290 971532227 /nfs/dbraw/zinc/53/22/27/971532227.db2.gz JLBDEPAPDVJIKO-ZDUSSCGKSA-N -1 0 331.416 2.705 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001602786443 971534215 /nfs/dbraw/zinc/53/42/15/971534215.db2.gz QUVSZQZBEGUNNP-XQQFMLRXSA-N -1 0 331.372 2.694 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001602786557 971536453 /nfs/dbraw/zinc/53/64/53/971536453.db2.gz XVFATGFQOOHUHB-WBMJQRKESA-N -1 0 339.351 2.925 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 ZINC001589591977 949096940 /nfs/dbraw/zinc/09/69/40/949096940.db2.gz UVSNBSQCXKZDQF-VJIACCKLSA-N -1 0 329.396 2.837 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000230009375 949664665 /nfs/dbraw/zinc/66/46/65/949664665.db2.gz VJQYDCFSTNPFDG-SECBINFHSA-N -1 0 325.162 2.681 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589639710 949668048 /nfs/dbraw/zinc/66/80/48/949668048.db2.gz IWJQLSQICVMBTI-CVEARBPZSA-N -1 0 334.416 2.770 20 30 EFEDRM CC(C)(C(=O)NC1CCC(C(=O)[O-])CC1)c1cc(F)cc(C#N)c1 ZINC001602831297 971657957 /nfs/dbraw/zinc/65/79/57/971657957.db2.gz ZRXVFYMOSLVGQT-UHFFFAOYSA-N -1 0 332.375 2.735 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000380129347 971678738 /nfs/dbraw/zinc/67/87/38/971678738.db2.gz SMOGVOAIVCFKSV-VIFPVBQESA-N -1 0 339.189 2.989 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001592009378 951293296 /nfs/dbraw/zinc/29/32/96/951293296.db2.gz QFMXIJYPTFMAFT-XQRVVYSFSA-N -1 0 327.292 2.867 20 30 EFEDRM CCOc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OCC ZINC001592426151 951329189 /nfs/dbraw/zinc/32/91/89/951329189.db2.gz NGJJRIHGAWQJNO-XIKOKIGWSA-N -1 0 348.399 2.666 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589268342 953385446 /nfs/dbraw/zinc/38/54/46/953385446.db2.gz KXONHXFSTSHCPK-FRFSOERESA-N -1 0 344.411 2.531 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593642151 953654017 /nfs/dbraw/zinc/65/40/17/953654017.db2.gz HBAPLGIUBRHKSF-RBSFLKMASA-N -1 0 342.395 2.570 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001589304978 953730846 /nfs/dbraw/zinc/73/08/46/953730846.db2.gz OVVQKEKSKPRYDJ-AAEUAGOBSA-N -1 0 332.404 2.832 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001589304980 953730941 /nfs/dbraw/zinc/73/09/41/953730941.db2.gz OVVQKEKSKPRYDJ-DGCLKSJQSA-N -1 0 332.404 2.832 20 30 EFEDRM CON=Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000588508337 953737683 /nfs/dbraw/zinc/73/76/83/953737683.db2.gz KGSWPWSXFQQWQX-XHSDSOJGSA-N -1 0 330.384 2.525 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSCc1ccc(C#N)cc1 ZINC001589306687 953747727 /nfs/dbraw/zinc/74/77/27/953747727.db2.gz WBODAVOQBIAMIJ-WFASDCNBSA-N -1 0 332.425 2.503 20 30 EFEDRM CC(C)[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)C(=O)[O-] ZINC001602982742 972002062 /nfs/dbraw/zinc/00/20/62/972002062.db2.gz ASPDBEVQNULPAZ-SECBINFHSA-N -1 0 329.183 2.952 20 30 EFEDRM CCC(CC)(CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001589493327 955012575 /nfs/dbraw/zinc/01/25/75/955012575.db2.gz AIYWPGFMZBHTHM-OAHLLOKOSA-N -1 0 329.400 2.736 20 30 EFEDRM CCC(CC)(CNC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001589498096 955025816 /nfs/dbraw/zinc/02/58/16/955025816.db2.gz QAIYIIMVMYSSPN-UHFFFAOYSA-N -1 0 327.384 2.786 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)cc1Br ZINC000819857156 955459529 /nfs/dbraw/zinc/45/95/29/955459529.db2.gz STJZRJVBRCSNBU-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001589028486 955508154 /nfs/dbraw/zinc/50/81/54/955508154.db2.gz GRSKLRRMXSCEJP-LBPRGKRZSA-N -1 0 342.351 2.523 20 30 EFEDRM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001589039336 955579036 /nfs/dbraw/zinc/57/90/36/955579036.db2.gz ASISSQIKKVFGDU-SCLBCKFNSA-N -1 0 332.400 2.698 20 30 EFEDRM C[C@@](CNC(=O)[C@H](CC#N)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589040389 955592333 /nfs/dbraw/zinc/59/23/33/955592333.db2.gz WGYOTQDOSUFWQT-XLIONFOSSA-N -1 0 336.391 2.843 20 30 EFEDRM C[C@](CNC(=O)Nc1ccc(F)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001589055947 955693620 /nfs/dbraw/zinc/69/36/20/955693620.db2.gz DPOXLNRZYAIOSW-GOSISDBHSA-N -1 0 341.342 2.861 20 30 EFEDRM C[C@](CNC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589063757 955736351 /nfs/dbraw/zinc/73/63/51/955736351.db2.gz CUOCVFULXWSCFI-GOSISDBHSA-N -1 0 342.782 2.984 20 30 EFEDRM C[C@@](CNC(=O)c1sccc1CC#N)(C(=O)[O-])c1ccccc1 ZINC001589067353 955760166 /nfs/dbraw/zinc/76/01/66/955760166.db2.gz JRJSKSQHGVKDFK-KRWDZBQOSA-N -1 0 328.393 2.586 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC)[C@H](C)C(=O)[O-])cc1OC ZINC000852954702 955879993 /nfs/dbraw/zinc/87/99/93/955879993.db2.gz PTTBBMOUEPAQFN-CHOZFAJLSA-N -1 0 333.384 2.595 20 30 EFEDRM C[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589084476 955891751 /nfs/dbraw/zinc/89/17/51/955891751.db2.gz CYZLQNFFFQZYCI-WJCAODAZSA-N -1 0 347.386 2.660 20 30 EFEDRM C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589109083 956056206 /nfs/dbraw/zinc/05/62/06/956056206.db2.gz YCJVKVQIYVCMJI-BIGNPOOSSA-N -1 0 333.363 2.954 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001594601531 956136708 /nfs/dbraw/zinc/13/67/08/956136708.db2.gz OMBSLIQPZYYOQW-MJGOQNOKSA-N -1 0 348.402 2.970 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594602084 956143114 /nfs/dbraw/zinc/14/31/14/956143114.db2.gz UFVBKNRKHFWRCV-DOTOQJQBSA-N -1 0 349.346 2.510 20 30 EFEDRM N#CC1(CC(=O)Nc2nc3ccccn3c2C(=O)[O-])CCCCC1 ZINC001594603944 956159257 /nfs/dbraw/zinc/15/92/57/956159257.db2.gz MFVBGTQRNVVTDI-UHFFFAOYSA-N -1 0 326.356 2.835 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001593930803 956177295 /nfs/dbraw/zinc/17/72/95/956177295.db2.gz GLLWEZWRYCLRBQ-GOSISDBHSA-N -1 0 340.335 2.779 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594610365 956202368 /nfs/dbraw/zinc/20/23/68/956202368.db2.gz XQSUUSQDRQFNEE-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594610499 956204037 /nfs/dbraw/zinc/20/40/37/956204037.db2.gz WYFFAFPTGQRZQI-STQMWFEESA-N -1 0 348.424 2.901 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001594611190 956211103 /nfs/dbraw/zinc/21/11/03/956211103.db2.gz NWFWTAXZXRXOMD-CQSZACIVSA-N -1 0 326.377 2.638 20 30 EFEDRM N#CCc1ccc(COC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001594611506 956216237 /nfs/dbraw/zinc/21/62/37/956216237.db2.gz RTGRREYIGMEDJH-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#Cc1cc(NC(=O)NCCC(=O)[O-])ccc1Oc1ccccc1 ZINC001594615703 956234117 /nfs/dbraw/zinc/23/41/17/956234117.db2.gz GFLIROSLMRCWRA-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(F)cc1F ZINC001594616056 956236685 /nfs/dbraw/zinc/23/66/85/956236685.db2.gz MTJQDNCZJZMSGS-HNNXBMFYSA-N -1 0 345.305 2.654 20 30 EFEDRM CC(C)[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001603095287 972170129 /nfs/dbraw/zinc/17/01/29/972170129.db2.gz XFTZDJHNVFRWLI-KRWDZBQOSA-N -1 0 337.379 2.712 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)CC2)c1 ZINC001594616568 956241710 /nfs/dbraw/zinc/24/17/10/956241710.db2.gz UZFNHYSXWJATGI-UHFFFAOYSA-N -1 0 340.310 2.771 20 30 EFEDRM N#Cc1ccc(CSc2nnc(NC(=O)CCC(=O)[O-])s2)cc1 ZINC001594619791 956271235 /nfs/dbraw/zinc/27/12/35/956271235.db2.gz OZBSJFZPZCKXKE-UHFFFAOYSA-N -1 0 348.409 2.505 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1Cl ZINC001594620568 956277509 /nfs/dbraw/zinc/27/75/09/956277509.db2.gz MGJAXZZCOIXXLD-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])nc1 ZINC001594621058 956283106 /nfs/dbraw/zinc/28/31/06/956283106.db2.gz DRSBKEQQLYUOJK-HZPDHXFCSA-N -1 0 335.363 2.597 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899312368 956283345 /nfs/dbraw/zinc/28/33/45/956283345.db2.gz ZGNASNBHNFSIRU-HNNXBMFYSA-N -1 0 330.384 2.950 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc2n1 ZINC000899318259 956288212 /nfs/dbraw/zinc/28/82/12/956288212.db2.gz STCYEKOPIYDHQD-IUODEOHRSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)cc2n1 ZINC000899318258 956288513 /nfs/dbraw/zinc/28/85/13/956288513.db2.gz STCYEKOPIYDHQD-DOMZBBRYSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc21 ZINC000899319174 956289052 /nfs/dbraw/zinc/28/90/52/956289052.db2.gz ZBGVVRXIPSCLRG-SWLSCSKDSA-N -1 0 342.399 2.797 20 30 EFEDRM N#Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)ncc1Br ZINC000900962063 956298961 /nfs/dbraw/zinc/29/89/61/956298961.db2.gz JZDNGDUZILMFPV-SNVBAGLBSA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1ccc(OC2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC001594624049 956300961 /nfs/dbraw/zinc/30/09/61/956300961.db2.gz OXAPYRQRWAYIAL-UHFFFAOYSA-N -1 0 330.384 2.573 20 30 EFEDRM N#Cc1ccc(OCc2cccc(-c3nc(CC(=O)[O-])no3)c2)cc1 ZINC001594624943 956304826 /nfs/dbraw/zinc/30/48/26/956304826.db2.gz CJMJLXCSDPBQQI-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001594625397 956309739 /nfs/dbraw/zinc/30/97/39/956309739.db2.gz GIAWRHBWNHBSET-UHFFFAOYSA-N -1 0 328.349 2.643 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001594627036 956320756 /nfs/dbraw/zinc/32/07/56/956320756.db2.gz KMRDRXCVVIXDDQ-SFHVURJKSA-N -1 0 349.390 2.864 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594628551 956332168 /nfs/dbraw/zinc/33/21/68/956332168.db2.gz CAVKKVWKLQPTFZ-BBVFFXRHSA-N -1 0 332.359 2.782 20 30 EFEDRM N#Cc1ccncc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594631368 956339662 /nfs/dbraw/zinc/33/96/62/956339662.db2.gz CEONYSHXOUAKOF-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC000901569716 956343302 /nfs/dbraw/zinc/34/33/02/956343302.db2.gz PNJKTQLBUUFXMK-SFHVURJKSA-N -1 0 326.396 2.693 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000901574544 956347217 /nfs/dbraw/zinc/34/72/17/956347217.db2.gz YKDKBMZSHFTKHP-OAHLLOKOSA-N -1 0 328.412 2.821 20 30 EFEDRM N#Cc1sc(NC(=O)NCc2ccccc2C(=O)[O-])nc1Cl ZINC001594634715 956364527 /nfs/dbraw/zinc/36/45/27/956364527.db2.gz AGLVUKWIKLPHKZ-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589174633 956482466 /nfs/dbraw/zinc/48/24/66/956482466.db2.gz FSNJRKQWKPNEGM-ZDUSSCGKSA-N -1 0 338.363 2.855 20 30 EFEDRM CC(C)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000902058730 956634488 /nfs/dbraw/zinc/63/44/88/956634488.db2.gz WNKBMPYQCMGFBP-UHFFFAOYSA-N -1 0 328.412 2.939 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1O ZINC000006432775 956876624 /nfs/dbraw/zinc/87/66/24/956876624.db2.gz IMTVDCFYOBUEHC-KRXBUXKQSA-N -1 0 328.320 2.760 20 30 EFEDRM C[C@@H](CN(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001603152009 972251985 /nfs/dbraw/zinc/25/19/85/972251985.db2.gz MPSWIYMFOXLSCS-AWEZNQCLSA-N -1 0 337.379 2.666 20 30 EFEDRM C[C@@](CNC(=O)Nc1cc(F)cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001603183853 972284488 /nfs/dbraw/zinc/28/44/88/972284488.db2.gz UUKUZRNKSSOFFX-SFHVURJKSA-N -1 0 341.342 2.861 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594274284 957706552 /nfs/dbraw/zinc/70/65/52/957706552.db2.gz XHPKUDWIKVHEHH-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM Cc1cc(C(=O)/C=C/c2ccc(N3CCC(C(=O)[O-])CC3)o2)no1 ZINC001594274517 957710739 /nfs/dbraw/zinc/71/07/39/957710739.db2.gz TUABNLPXNWCABA-DUXPYHPUSA-N -1 0 330.340 2.773 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001594284323 957764295 /nfs/dbraw/zinc/76/42/95/957764295.db2.gz MVXFCCLMJMNKJY-UHFFFAOYSA-N -1 0 349.390 2.527 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccncc1 ZINC001335501101 957817388 /nfs/dbraw/zinc/81/73/88/957817388.db2.gz RJKMRHYPHXBJMG-MAUKXSAKSA-N -1 0 331.416 2.985 20 30 EFEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1F ZINC001588385573 957971636 /nfs/dbraw/zinc/97/16/36/957971636.db2.gz GYJHXKIAFFDFPT-ZDUSSCGKSA-N -1 0 332.718 2.677 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001588386420 957977922 /nfs/dbraw/zinc/97/79/22/957977922.db2.gz RGHCBGLXRVOXBL-JKSUJKDBSA-N -1 0 332.375 2.929 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588386386 957978228 /nfs/dbraw/zinc/97/82/28/957978228.db2.gz QFKSBCCOOSOBIN-OKZBNKHCSA-N -1 0 334.375 2.973 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC001588388609 957996493 /nfs/dbraw/zinc/99/64/93/957996493.db2.gz VMTCNMSTLRBGRK-UGFHNGPFSA-N -1 0 334.803 2.767 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594310680 958012651 /nfs/dbraw/zinc/01/26/51/958012651.db2.gz IGTCJMHULKQLIT-INIZCTEOSA-N -1 0 341.342 2.823 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594311413 958027625 /nfs/dbraw/zinc/02/76/25/958027625.db2.gz SRIOIQVPLNBYBI-HYXAFXHYSA-N -1 0 328.299 2.995 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001588395047 958036405 /nfs/dbraw/zinc/03/64/05/958036405.db2.gz BHGDJMDXTLRXPQ-UHFFFAOYSA-N -1 0 325.320 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588398637 958068294 /nfs/dbraw/zinc/06/82/94/958068294.db2.gz AXKRNSBNQAUNIL-LLVKDONJSA-N -1 0 327.302 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001588399204 958071353 /nfs/dbraw/zinc/07/13/53/958071353.db2.gz HKSURJJTRXQWQT-UHFFFAOYSA-N -1 0 340.206 2.962 20 30 EFEDRM Cc1cc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001594317673 958086455 /nfs/dbraw/zinc/08/64/55/958086455.db2.gz OSYNSECPHBZYEU-SMDDNHRTSA-N -1 0 344.415 2.507 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC001588407034 958096108 /nfs/dbraw/zinc/09/61/08/958096108.db2.gz GOKLCXXUJTYWNY-CQSZACIVSA-N -1 0 337.379 2.539 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC001588408415 958109794 /nfs/dbraw/zinc/10/97/94/958109794.db2.gz LZGKNJPKKLIXSD-UHFFFAOYSA-N -1 0 348.830 2.881 20 30 EFEDRM Cc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C#N)cc1N(C)C ZINC001594319643 958113924 /nfs/dbraw/zinc/11/39/24/958113924.db2.gz JPOICWSZNQNCKP-AWEZNQCLSA-N -1 0 346.431 2.801 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC001588408638 958114652 /nfs/dbraw/zinc/11/46/52/958114652.db2.gz WEPTUGJRANXWGQ-CQSZACIVSA-N -1 0 328.412 2.571 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC001588409917 958133821 /nfs/dbraw/zinc/13/38/21/958133821.db2.gz MJZQCOQUYVNXBH-GFCCVEGCSA-N -1 0 346.280 2.549 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC001588411233 958147266 /nfs/dbraw/zinc/14/72/66/958147266.db2.gz SFWBWEDJYLTRNJ-UHFFFAOYSA-N -1 0 327.340 2.510 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC001588411197 958147411 /nfs/dbraw/zinc/14/74/11/958147411.db2.gz QLZUILZQLBGBSJ-UHFFFAOYSA-N -1 0 330.384 2.698 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC001588411213 958147788 /nfs/dbraw/zinc/14/77/88/958147788.db2.gz RMFUKESBGADCPA-UHFFFAOYSA-N -1 0 337.379 2.533 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001588411195 958147889 /nfs/dbraw/zinc/14/78/89/958147889.db2.gz QKGNOQAELDWTGZ-GXFFZTMASA-N -1 0 341.194 2.579 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC001588413058 958156483 /nfs/dbraw/zinc/15/64/83/958156483.db2.gz QKIQRCNRWXXUPQ-JTQLQIEISA-N -1 0 344.289 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC001588413333 958159098 /nfs/dbraw/zinc/15/90/98/958159098.db2.gz ZEXOSZGREKYXME-UHFFFAOYSA-N -1 0 332.400 2.862 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001594331449 958227046 /nfs/dbraw/zinc/22/70/46/958227046.db2.gz HOAMQRBDZWRZHZ-IHWYPQMZSA-N -1 0 336.307 2.686 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001588433060 958291985 /nfs/dbraw/zinc/29/19/85/958291985.db2.gz CCDKDCGSKWBMMV-GOSISDBHSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001588433931 958302175 /nfs/dbraw/zinc/30/21/75/958302175.db2.gz XIKCUAUJDPKEMC-NWDGAFQWSA-N -1 0 334.347 2.555 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588439417 958317983 /nfs/dbraw/zinc/31/79/83/958317983.db2.gz BHXNHPZVQRMMTP-SJORKVTESA-N -1 0 331.412 2.861 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588440237 958329496 /nfs/dbraw/zinc/32/94/96/958329496.db2.gz QNCOECIYSBXYIB-UHFFFAOYSA-N -1 0 342.754 2.540 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588443266 958351668 /nfs/dbraw/zinc/35/16/68/958351668.db2.gz OVOTUFFPHWNXJT-KGLIPLIRSA-N -1 0 331.420 2.562 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCC(=O)[O-])s1 ZINC001588445392 958371748 /nfs/dbraw/zinc/37/17/48/958371748.db2.gz HRSFUPNGJNMVGD-UHFFFAOYSA-N -1 0 348.877 2.772 20 30 EFEDRM C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603226731 972342726 /nfs/dbraw/zinc/34/27/26/972342726.db2.gz CACYDEQGKSEETD-DDTOSNHZSA-N -1 0 349.456 2.897 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588457136 958445164 /nfs/dbraw/zinc/44/51/64/958445164.db2.gz MBRCFVODELZNMA-STQMWFEESA-N -1 0 345.317 2.929 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1 ZINC001573317433 958449682 /nfs/dbraw/zinc/44/96/82/958449682.db2.gz APXBYAUWAAQXOQ-LUAWRHEFSA-N -1 0 341.285 2.535 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC001573317894 958457278 /nfs/dbraw/zinc/45/72/78/958457278.db2.gz IDHYCTXGOJVTLP-LUAWRHEFSA-N -1 0 325.286 2.655 20 30 EFEDRM C=CCCCCCN(C)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588458423 958461899 /nfs/dbraw/zinc/46/18/99/958461899.db2.gz OFURAZYWWODBMU-CSLYMUCUSA-N -1 0 338.448 2.787 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001573318283 958462613 /nfs/dbraw/zinc/46/26/13/958462613.db2.gz UREOVIKGFBURIA-DJSGYFEHSA-N -1 0 334.803 2.767 20 30 EFEDRM C=CCCCCCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588458520 958463360 /nfs/dbraw/zinc/46/33/60/958463360.db2.gz RBOCZJGIGKJTCI-SWKXRBFHSA-N -1 0 338.448 2.835 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC001573318572 958465689 /nfs/dbraw/zinc/46/56/89/958465689.db2.gz YGUKAWUTHZFQIG-UHFFFAOYSA-N -1 0 339.351 2.734 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001588458819 958467538 /nfs/dbraw/zinc/46/75/38/958467538.db2.gz UCRDYCJIIGKGSS-WMLDXEAASA-N -1 0 341.411 2.663 20 30 EFEDRM C=CCCCCCCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588458968 958468467 /nfs/dbraw/zinc/46/84/67/958468467.db2.gz YANJFYOKMWQSRY-YJBOKZPZSA-N -1 0 338.448 2.646 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC001573319553 958473168 /nfs/dbraw/zinc/47/31/68/958473168.db2.gz DOCCXEBXPYLMOX-UHFFFAOYSA-N -1 0 338.285 2.880 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC001573320204 958476936 /nfs/dbraw/zinc/47/69/36/958476936.db2.gz IEIWDDCCFWXPPA-UHFFFAOYSA-N -1 0 334.784 2.624 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001594366354 958492404 /nfs/dbraw/zinc/49/24/04/958492404.db2.gz FFCVGLUYGMTVTF-ZBFHGGJFSA-N -1 0 330.384 2.512 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001573327875 958493420 /nfs/dbraw/zinc/49/34/20/958493420.db2.gz XLDZHYVEPOROMS-INIZCTEOSA-N -1 0 338.363 2.516 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588465357 958501330 /nfs/dbraw/zinc/50/13/30/958501330.db2.gz FKISWNCVOVSJIN-BQYQJAHWSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588466424 958511345 /nfs/dbraw/zinc/51/13/45/958511345.db2.gz PCUXQCQJZDTDQU-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001573330003 958515449 /nfs/dbraw/zinc/51/54/49/958515449.db2.gz ROLQCZYKCRGOFS-YJBOKZPZSA-N -1 0 339.391 2.864 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)cc21 ZINC001573336617 958519754 /nfs/dbraw/zinc/51/97/54/958519754.db2.gz FEHMQWMSCPPKIR-GXTWGEPZSA-N -1 0 342.399 2.939 20 30 EFEDRM C=CCc1ccc(OC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(OC)c1 ZINC001588470094 958521278 /nfs/dbraw/zinc/52/12/78/958521278.db2.gz CEYBYLJDGLEABI-KGLIPLIRSA-N -1 0 334.368 2.599 20 30 EFEDRM C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588470115 958523092 /nfs/dbraw/zinc/52/30/92/958523092.db2.gz DHNVNAGTEJAIRE-UHFFFAOYSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470118 958523109 /nfs/dbraw/zinc/52/31/09/958523109.db2.gz DMVNNUFHHLBRMC-CYBMUJFWSA-N -1 0 338.367 2.788 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001573337551 958523687 /nfs/dbraw/zinc/52/36/87/958523687.db2.gz QZXMDLKIROVMRO-QWHCGFSZSA-N -1 0 343.408 2.784 20 30 EFEDRM C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470764 958531047 /nfs/dbraw/zinc/53/10/47/958531047.db2.gz VBNYSCNLTWBFQE-NSHDSACASA-N -1 0 332.791 2.695 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001588473300 958550705 /nfs/dbraw/zinc/55/07/05/958550705.db2.gz XVNVEEQYXODZDX-AVGNSLFASA-N -1 0 336.461 2.579 20 30 EFEDRM COc1ccc2ccccc2c1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594118265 958577187 /nfs/dbraw/zinc/57/71/87/958577187.db2.gz IFAYZULTMCFRBX-LJQANCHMSA-N -1 0 340.379 2.512 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001573363280 958605162 /nfs/dbraw/zinc/60/51/62/958605162.db2.gz IMZWTUVIUWUZAE-AWEZNQCLSA-N -1 0 329.183 2.657 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCCOc1ccc(Cl)cc1 ZINC001573364859 958617488 /nfs/dbraw/zinc/61/74/88/958617488.db2.gz RDLZQWWQAMYHHU-MRXNPFEDSA-N -1 0 338.791 2.620 20 30 EFEDRM C=CC[S@@](=O)(=NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001573377874 958658880 /nfs/dbraw/zinc/65/88/80/958658880.db2.gz BACRNCCBRWDSOR-QHCPKHFHSA-N -1 0 330.365 2.633 20 30 EFEDRM Cc1cccc([C@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594390243 958705465 /nfs/dbraw/zinc/70/54/65/958705465.db2.gz HRHHBIHEGQENGT-JEJOPICUSA-N -1 0 341.338 2.659 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1C#N ZINC001594395264 958764875 /nfs/dbraw/zinc/76/48/75/958764875.db2.gz YRDGFMZLZGYTRM-LBPRGKRZSA-N -1 0 330.369 2.579 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001588537995 958937216 /nfs/dbraw/zinc/93/72/16/958937216.db2.gz BKYJRGWSOLMEKV-OAHLLOKOSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001588538796 958944312 /nfs/dbraw/zinc/94/43/12/958944312.db2.gz NSMRZYKZJMZCJM-OAHLLOKOSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001588539107 958951219 /nfs/dbraw/zinc/95/12/19/958951219.db2.gz XUTSTWPWANOOQA-PXAZEXFGSA-N -1 0 336.338 2.675 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001588541808 958965979 /nfs/dbraw/zinc/96/59/79/958965979.db2.gz MUHPOOMPUVEGAF-GOSISDBHSA-N -1 0 349.350 2.568 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573478448 958968163 /nfs/dbraw/zinc/96/81/63/958968163.db2.gz PZPNJZRHVOGRGD-UHFFFAOYSA-N -1 0 338.367 2.794 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001588542662 958972526 /nfs/dbraw/zinc/97/25/26/958972526.db2.gz BGMXPAWOLIAGHB-FQEVSTJZSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588545409 958995750 /nfs/dbraw/zinc/99/57/50/958995750.db2.gz SROUOBRZNSTIAX-XUIVZRPNSA-N -1 0 326.308 2.921 20 30 EFEDRM CSc1ccc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)cc1C#N ZINC001594194087 959184077 /nfs/dbraw/zinc/18/40/77/959184077.db2.gz ASFCULWZCKOJLU-UHFFFAOYSA-N -1 0 342.380 2.695 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594216351 959333075 /nfs/dbraw/zinc/33/30/75/959333075.db2.gz SEVMXKMZQPJAIP-ZWNOBZJWSA-N -1 0 325.286 2.521 20 30 EFEDRM C[C@@H](C(=O)[O-])N(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001588593082 959366344 /nfs/dbraw/zinc/36/63/44/959366344.db2.gz WJASCXGINLLMMQ-NSHDSACASA-N -1 0 327.302 2.874 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001573608118 959461858 /nfs/dbraw/zinc/46/18/58/959461858.db2.gz MTGMZIIQFKPBII-IFXJQAMLSA-N -1 0 348.402 2.947 20 30 EFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC001588631123 959612281 /nfs/dbraw/zinc/61/22/81/959612281.db2.gz DGCWMTHXVRAMDA-MRXNPFEDSA-N -1 0 343.427 2.708 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)ccc1O ZINC000213714182 959724079 /nfs/dbraw/zinc/72/40/79/959724079.db2.gz SXFNOVFUBJYPLN-YWEYNIOJSA-N -1 0 328.320 2.760 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001604083514 972481439 /nfs/dbraw/zinc/48/14/39/972481439.db2.gz NWVMKWFHMWUPMS-UHFFFAOYSA-N -1 0 329.400 2.532 20 30 EFEDRM C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC001573738891 960474276 /nfs/dbraw/zinc/47/42/76/960474276.db2.gz LJWJUIIEOOMIFS-WMLDXEAASA-N -1 0 344.411 2.677 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(Cl)c1 ZINC001198730269 960574114 /nfs/dbraw/zinc/57/41/14/960574114.db2.gz JZMQKGLNZMPCED-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM CC(C)(C)c1ccc(N=NCc2ccccc2OCC(=O)[O-])nn1 ZINC001321922295 961003082 /nfs/dbraw/zinc/00/30/82/961003082.db2.gz XBKQUKITYYMNPM-UHFFFAOYSA-N -1 0 328.372 2.684 20 30 EFEDRM CC(C)(CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588774159 961267456 /nfs/dbraw/zinc/26/74/56/961267456.db2.gz OHNVNKFYWSQYML-OAHLLOKOSA-N -1 0 329.400 2.736 20 30 EFEDRM COc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000254618084 961319657 /nfs/dbraw/zinc/31/96/57/961319657.db2.gz ZIJIELBBULCVKU-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM CC(C)(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C#N)c1 ZINC001588789215 961354292 /nfs/dbraw/zinc/35/42/92/961354292.db2.gz FBAQJYGHJIRUAI-UHFFFAOYSA-N -1 0 329.400 2.736 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001588794734 961369894 /nfs/dbraw/zinc/36/98/94/961369894.db2.gz JELAFXWGPSVGTE-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM C=CC(C)(C)CCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001331818238 961386674 /nfs/dbraw/zinc/38/66/74/961386674.db2.gz HOFMWUKHWNAQGU-UHFFFAOYSA-N -1 0 327.384 2.903 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001574443648 961428733 /nfs/dbraw/zinc/42/87/33/961428733.db2.gz AIRJMEYMSUYQEL-UHFFFAOYSA-N -1 0 332.337 2.544 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001588809768 961516320 /nfs/dbraw/zinc/51/63/20/961516320.db2.gz WKUGSJIMNJFSGI-ZDUSSCGKSA-N -1 0 329.381 2.977 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001573920365 961529952 /nfs/dbraw/zinc/52/99/52/961529952.db2.gz NBHRTRANDSSXKU-WCQYABFASA-N -1 0 331.372 2.674 20 30 EFEDRM CC[S@@](=O)(=NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1 ZINC001573929377 961568442 /nfs/dbraw/zinc/56/84/42/961568442.db2.gz ZLBGEWHHQMSEMP-PEBXRYMYSA-N -1 0 342.804 2.718 20 30 EFEDRM N#CCn1c(C(=O)NCc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001574480092 961658717 /nfs/dbraw/zinc/65/87/17/961658717.db2.gz WAQBAZDEAFTQRU-UHFFFAOYSA-N -1 0 333.347 2.793 20 30 EFEDRM N#CC1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCOCC1 ZINC001574480280 961660020 /nfs/dbraw/zinc/66/00/20/961660020.db2.gz DDWOBTZXSOJFSB-UHFFFAOYSA-N -1 0 348.424 2.974 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001573954558 961664742 /nfs/dbraw/zinc/66/47/42/961664742.db2.gz OEMOQWDDFAIQPN-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001574480623 961665593 /nfs/dbraw/zinc/66/55/93/961665593.db2.gz NUIDTQRGUBNBCS-MRXNPFEDSA-N -1 0 340.404 2.728 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCCC[C@@H]3C(=O)[O-])CCCC2)cc1 ZINC001574485310 961675700 /nfs/dbraw/zinc/67/57/00/961675700.db2.gz DKMOLAQGSOGDSW-MRXNPFEDSA-N -1 0 326.396 2.836 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001574489096 961700251 /nfs/dbraw/zinc/70/02/51/961700251.db2.gz GMLQBEVHRWMNMK-JKSUJKDBSA-N -1 0 326.396 2.956 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC001574490240 961713105 /nfs/dbraw/zinc/71/31/05/961713105.db2.gz YDMWKJULKUKCMB-UHFFFAOYSA-N -1 0 330.384 2.573 20 30 EFEDRM N#Cc1ccnc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001574493610 961721630 /nfs/dbraw/zinc/72/16/30/961721630.db2.gz OPSZYPCAOACRAT-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001573991694 961834027 /nfs/dbraw/zinc/83/40/27/961834027.db2.gz PNJUFQWLDVUVBE-UHFFFAOYSA-N -1 0 329.400 2.532 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991944 961837945 /nfs/dbraw/zinc/83/79/45/961837945.db2.gz YMBBXUZRVMUJDG-QZTJIDSGSA-N -1 0 349.390 2.667 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001574004361 961880757 /nfs/dbraw/zinc/88/07/57/961880757.db2.gz ZDFAKFZYTGHXRG-CYBMUJFWSA-N -1 0 338.363 2.730 20 30 EFEDRM C=C[C@H](CC)CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC001335419127 961921159 /nfs/dbraw/zinc/92/11/59/961921159.db2.gz AUKMQZZXROODPW-CYBMUJFWSA-N -1 0 335.400 2.719 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001336016768 961945313 /nfs/dbraw/zinc/94/53/13/961945313.db2.gz HDGRXDMIIJPWOX-JKSUJKDBSA-N -1 0 344.411 2.504 20 30 EFEDRM CN(Cc1ccc(NC(=O)Nc2cccc(C#N)n2)cc1)C(=O)[O-] ZINC001571167551 962008876 /nfs/dbraw/zinc/00/88/76/962008876.db2.gz HPDJYPBENUDXSS-UHFFFAOYSA-N -1 0 325.328 2.707 20 30 EFEDRM Cc1nc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)sc1SCC#N ZINC001571169132 962035634 /nfs/dbraw/zinc/03/56/34/962035634.db2.gz SEJWQSNIUARFMF-DTWKUNHWSA-N -1 0 325.415 2.507 20 30 EFEDRM N#CCC1CCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001571174154 962081779 /nfs/dbraw/zinc/08/17/79/962081779.db2.gz JVERLBMGXQIQHH-UHFFFAOYSA-N -1 0 327.178 2.866 20 30 EFEDRM CC(C)CN(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872642 962097321 /nfs/dbraw/zinc/09/73/21/962097321.db2.gz YXMOYMBEGGTJLO-NVXWUHKLSA-N -1 0 344.411 2.817 20 30 EFEDRM CC(C)CN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872643 962097468 /nfs/dbraw/zinc/09/74/68/962097468.db2.gz YXMOYMBEGGTJLO-RDJZCZTQSA-N -1 0 344.411 2.817 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC001343708949 962168452 /nfs/dbraw/zinc/16/84/52/962168452.db2.gz ADTLSBKBEQHLJU-OLZOCXBDSA-N -1 0 335.425 2.669 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)CC(=O)[O-] ZINC001588887480 962186103 /nfs/dbraw/zinc/18/61/03/962186103.db2.gz JCSIIZGLZITLQA-AWEZNQCLSA-N -1 0 346.402 2.982 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)CC(=O)[O-] ZINC001588892580 962209362 /nfs/dbraw/zinc/20/93/62/962209362.db2.gz UADGLGGRAVFJFC-ZDUSSCGKSA-N -1 0 335.379 2.634 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001571190205 962238351 /nfs/dbraw/zinc/23/83/51/962238351.db2.gz CKMUEGPCNMLQBC-AWEZNQCLSA-N -1 0 330.384 2.578 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(Cl)c1 ZINC001571191616 962265065 /nfs/dbraw/zinc/26/50/65/962265065.db2.gz PFPJMWAWWRWJSW-ZDUSSCGKSA-N -1 0 331.130 2.504 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NCc2ccc(NC(=O)[O-])cc2)cc1F ZINC001571195311 962298292 /nfs/dbraw/zinc/29/82/92/962298292.db2.gz DDIOHULNUYGVOE-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)s1 ZINC001571196731 962322356 /nfs/dbraw/zinc/32/23/56/962322356.db2.gz QVMMSIPVIVUXAW-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM CC(C)N(CC(=O)[O-])C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001588917664 962347366 /nfs/dbraw/zinc/34/73/66/962347366.db2.gz INYUMHBQSMMLQV-UHFFFAOYSA-N -1 0 327.384 2.880 20 30 EFEDRM COc1cc(NC(=O)c2csc(C#N)c2)c(C(=O)[O-])cc1OC ZINC001571201483 962368291 /nfs/dbraw/zinc/36/82/91/962368291.db2.gz XABLMBHXRVDJEA-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001588920213 962368361 /nfs/dbraw/zinc/36/83/61/962368361.db2.gz CXAWLTLQRRDKGJ-UHFFFAOYSA-N -1 0 329.400 2.733 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588920608 962369807 /nfs/dbraw/zinc/36/98/07/962369807.db2.gz NXVVCOXWYHVCFC-IRXDYDNUSA-N -1 0 344.411 2.565 20 30 EFEDRM CC(C)[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001588946958 962561534 /nfs/dbraw/zinc/56/15/34/962561534.db2.gz XFTZDJHNVFRWLI-QGZVFWFLSA-N -1 0 337.379 2.712 20 30 EFEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC001573302613 962656916 /nfs/dbraw/zinc/65/69/16/962656916.db2.gz OFTOZZNNBXFWOX-NSHDSACASA-N -1 0 347.168 2.580 20 30 EFEDRM C#CC[C@@H](NC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001573302608 962657749 /nfs/dbraw/zinc/65/77/49/962657749.db2.gz OFBAULABAOIZMQ-MRXNPFEDSA-N -1 0 335.359 2.907 20 30 EFEDRM C#C[C@H](C)N(C)c1nnc(C(C)C)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573302731 962660885 /nfs/dbraw/zinc/66/08/85/962660885.db2.gz PJPMTVUAMPBZHG-ZDUSSCGKSA-N -1 0 341.415 2.998 20 30 EFEDRM C#CC[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001573302916 962665071 /nfs/dbraw/zinc/66/50/71/962665071.db2.gz SAJZYTHOBHZXPA-BXWFABGCSA-N -1 0 326.396 2.647 20 30 EFEDRM C#CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001573302925 962666531 /nfs/dbraw/zinc/66/65/31/962666531.db2.gz SAJZYTHOBHZXPA-FCEWJHQRSA-N -1 0 326.396 2.647 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001573313074 962726426 /nfs/dbraw/zinc/72/64/26/962726426.db2.gz BDPKLHRXRRJJCV-UHFFFAOYSA-N -1 0 336.347 2.793 20 30 EFEDRM C#Cc1cccc(N(C(=O)CCCn2ccc(C(=O)[O-])n2)C(C)C)c1 ZINC001573313315 962729964 /nfs/dbraw/zinc/72/99/64/962729964.db2.gz GCFSLJHAXQKAER-UHFFFAOYSA-N -1 0 339.395 2.784 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001573313638 962735396 /nfs/dbraw/zinc/73/53/96/962735396.db2.gz NNZHZZQDPHUZGE-SFHVURJKSA-N -1 0 347.370 2.769 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588987685 962762951 /nfs/dbraw/zinc/76/29/51/962762951.db2.gz AZNLAEUGCAZFGF-ZETCQYMHSA-N -1 0 326.150 2.571 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)C(=O)[O-] ZINC001573323538 962772415 /nfs/dbraw/zinc/77/24/15/962772415.db2.gz CIMFOJATYKPFDC-ZDUSSCGKSA-N -1 0 347.802 2.983 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)c1ccccc1 ZINC001517434826 962797776 /nfs/dbraw/zinc/79/77/76/962797776.db2.gz UMNPWLHZHGSSAT-FGTMMUONSA-N -1 0 345.439 2.980 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573326237 962803479 /nfs/dbraw/zinc/80/34/79/962803479.db2.gz USXMJNLSCDRVDK-ZDUSSCGKSA-N -1 0 330.388 2.724 20 30 EFEDRM C=C(CC)C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001573326714 962806819 /nfs/dbraw/zinc/80/68/19/962806819.db2.gz ZXTHFUJQADSVTJ-OAHLLOKOSA-N -1 0 336.819 2.576 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001573332597 962837210 /nfs/dbraw/zinc/83/72/10/962837210.db2.gz PEBOVSXWDNYVOX-CYBMUJFWSA-N -1 0 336.819 2.798 20 30 EFEDRM COc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(F)cc1C#N ZINC001574186823 962842349 /nfs/dbraw/zinc/84/23/49/962842349.db2.gz XJAWFBVMYDPGHP-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC001573332851 962843822 /nfs/dbraw/zinc/84/38/22/962843822.db2.gz TWDLLCJGIGVRRG-HNNXBMFYSA-N -1 0 333.359 2.811 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC001573333134 962851635 /nfs/dbraw/zinc/85/16/35/962851635.db2.gz WBIRJXLJEHTTGN-JTQLQIEISA-N -1 0 330.167 2.964 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(C)ccc1Br ZINC001573333243 962855510 /nfs/dbraw/zinc/85/55/10/962855510.db2.gz XBMWZNZPFVGAAY-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 ZINC001573336416 962858121 /nfs/dbraw/zinc/85/81/21/962858121.db2.gz BZECOOQGNSAAJX-UHFFFAOYSA-N -1 0 341.367 2.771 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573344108 962912886 /nfs/dbraw/zinc/91/28/86/962912886.db2.gz OMKABSACDBAONV-LLVKDONJSA-N -1 0 326.828 2.530 20 30 EFEDRM C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573344342 962916130 /nfs/dbraw/zinc/91/61/30/962916130.db2.gz UODXQSRIQQAVEW-JQWIXIFHSA-N -1 0 341.843 2.733 20 30 EFEDRM C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573344343 962916755 /nfs/dbraw/zinc/91/67/55/962916755.db2.gz UODXQSRIQQAVEW-PWSUYJOCSA-N -1 0 341.843 2.733 20 30 EFEDRM COc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C#N ZINC001574217303 962944271 /nfs/dbraw/zinc/94/42/71/962944271.db2.gz NPBPLLFYWJFIIZ-GFCCVEGCSA-N -1 0 331.372 2.676 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001573350892 962973729 /nfs/dbraw/zinc/97/37/29/962973729.db2.gz NJMCUOYNGULQRY-MRXNPFEDSA-N -1 0 345.420 2.851 20 30 EFEDRM C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573350927 962974834 /nfs/dbraw/zinc/97/48/34/962974834.db2.gz NWENOPUKRQWQGD-UHFFFAOYSA-N -1 0 335.452 2.804 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573352408 962987226 /nfs/dbraw/zinc/98/72/26/962987226.db2.gz BJHTYZGZSZIDJZ-ABAIWWIYSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC(=O)Nc1nc2cc(C(=O)[O-])cc(Br)c2[nH]1 ZINC001573353035 962996089 /nfs/dbraw/zinc/99/60/89/962996089.db2.gz OFSZWMIFYCJZPB-UHFFFAOYSA-N -1 0 338.161 2.928 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001573357381 963015827 /nfs/dbraw/zinc/01/58/27/963015827.db2.gz MVVQKAHQBJKZOU-JTQLQIEISA-N -1 0 345.367 2.782 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573357791 963021225 /nfs/dbraw/zinc/02/12/25/963021225.db2.gz SNILUTPOSLZCMZ-NSHDSACASA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573360463 963038704 /nfs/dbraw/zinc/03/87/04/963038704.db2.gz PISRIXMGOOOYGS-UHFFFAOYSA-N -1 0 333.436 2.702 20 30 EFEDRM C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573365352 963054168 /nfs/dbraw/zinc/05/41/68/963054168.db2.gz FHWMRUKLMDLBTG-UHFFFAOYSA-N -1 0 333.436 2.702 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC001573366241 963058436 /nfs/dbraw/zinc/05/84/36/963058436.db2.gz KSCARZRBBLGUNE-LLVKDONJSA-N -1 0 325.748 2.608 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001573367519 963067332 /nfs/dbraw/zinc/06/73/32/963067332.db2.gz XGSBGRZCKPJYCR-QGZVFWFLSA-N -1 0 341.411 2.665 20 30 EFEDRM C=CCCCCCCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001573367645 963069073 /nfs/dbraw/zinc/06/90/73/963069073.db2.gz YTKYWVFXROIXCY-QGZVFWFLSA-N -1 0 337.420 2.528 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001573367917 963071961 /nfs/dbraw/zinc/07/19/61/963071961.db2.gz DWSHKHKMFLBLIT-UHFFFAOYSA-N -1 0 338.363 2.861 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001573368557 963080947 /nfs/dbraw/zinc/08/09/47/963080947.db2.gz NYZCGVIRKIJBKV-MWLCHTKSSA-N -1 0 328.821 2.820 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573369095 963092981 /nfs/dbraw/zinc/09/29/81/963092981.db2.gz OKZUXNGEMYIYKS-UHFFFAOYSA-N -1 0 344.367 2.620 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001573379402 963106538 /nfs/dbraw/zinc/10/65/38/963106538.db2.gz GPZNERWPNRLQHV-JKIFEVAISA-N -1 0 337.803 2.737 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001573379275 963107179 /nfs/dbraw/zinc/10/71/79/963107179.db2.gz AQYPZZPPUGTPSG-NEPJUHHUSA-N -1 0 341.157 2.644 20 30 EFEDRM C=CCNC(=O)c1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314758259 963805427 /nfs/dbraw/zinc/80/54/27/963805427.db2.gz GKRCKVGJGGHYJP-JTQLQIEISA-N -1 0 331.397 2.930 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)OCC ZINC001588441978 964055153 /nfs/dbraw/zinc/05/51/53/964055153.db2.gz NAMLDYNVNNRUMM-LLVKDONJSA-N -1 0 339.413 2.829 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588443632 964061345 /nfs/dbraw/zinc/06/13/45/964061345.db2.gz VDLLHQRJDZITJG-DYVFJYSZSA-N -1 0 331.420 2.562 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443617 964061791 /nfs/dbraw/zinc/06/17/91/964061791.db2.gz UEVNXGGSZHDVLP-UHFFFAOYSA-N -1 0 344.390 2.961 20 30 EFEDRM C#CCCCOc1cccnc1NCCc1ncc(C(=O)[O-])s1 ZINC001588447293 964085463 /nfs/dbraw/zinc/08/54/63/964085463.db2.gz VTLSZRJUTHWDBW-UHFFFAOYSA-N -1 0 331.397 2.683 20 30 EFEDRM C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588447775 964090489 /nfs/dbraw/zinc/09/04/89/964090489.db2.gz PVKABRARIGFUNX-UHFFFAOYSA-N -1 0 342.399 2.561 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1CC ZINC000128295731 967623081 /nfs/dbraw/zinc/62/30/81/967623081.db2.gz NVKJBPMCGKNBMT-UHFFFAOYSA-N -1 0 339.189 2.563 20 30 EFEDRM CCCCCCCCCCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000396762615 968231590 /nfs/dbraw/zinc/23/15/90/968231590.db2.gz JMBQYXXTNZTOOQ-UHFFFAOYSA-N -1 0 340.464 2.663 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)[C@@H](CC)C(=O)[O-])cc1OC ZINC000846714840 969257054 /nfs/dbraw/zinc/25/70/54/969257054.db2.gz PVGFMFMFEVDCAM-GDAGCXPBSA-N -1 0 333.384 2.595 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000901710000 969464068 /nfs/dbraw/zinc/46/40/68/969464068.db2.gz FFZVTXHEYKOKTI-ZBFHGGJFSA-N -1 0 326.396 2.740 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024983 969508767 /nfs/dbraw/zinc/50/87/67/969508767.db2.gz CFLKVYSZRDKUKD-UICRZLBMSA-N -1 0 332.444 2.958 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588547780 969886584 /nfs/dbraw/zinc/88/65/84/969886584.db2.gz MVLLBLLBNROLRL-LLVKDONJSA-N -1 0 342.754 2.587 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588547782 969886615 /nfs/dbraw/zinc/88/66/15/969886615.db2.gz MVLLBLLBNROLRL-NSHDSACASA-N -1 0 342.754 2.587 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001609693026 970452749 /nfs/dbraw/zinc/45/27/49/970452749.db2.gz PHGBPRROHWYEFV-AWEZNQCLSA-N -1 0 346.717 2.927 20 30 EFEDRM C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001609903428 970598126 /nfs/dbraw/zinc/59/81/26/970598126.db2.gz CPEWFJXBVBEUSN-MEBBXXQBSA-N -1 0 342.317 2.930 20 30 EFEDRM CC1(C#N)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603290445 972546154 /nfs/dbraw/zinc/54/61/54/972546154.db2.gz MNCUAUVSKSWEJM-GJZGRUSLSA-N -1 0 327.384 2.635 20 30 EFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001603311935 972608216 /nfs/dbraw/zinc/60/82/16/972608216.db2.gz HDKYQWUFOKSANA-AWEZNQCLSA-N -1 0 326.396 2.799 20 30 EFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001603311946 972608765 /nfs/dbraw/zinc/60/87/65/972608765.db2.gz HDKYQWUFOKSANA-CQSZACIVSA-N -1 0 326.396 2.799 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000394250874 972691258 /nfs/dbraw/zinc/69/12/58/972691258.db2.gz AFTDCNPJOZFZFS-UHFFFAOYSA-N -1 0 339.189 2.989 20 30 EFEDRM Cc1cc(-c2nc(C3(C(=O)[O-])CCC3)no2)nn1-c1cccc(C#N)c1 ZINC001605091545 972737277 /nfs/dbraw/zinc/73/72/77/972737277.db2.gz DPNYMPQIKIUDJM-UHFFFAOYSA-N -1 0 349.350 2.609 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)n1-c1ccc(C#N)cc1 ZINC001605126947 972788804 /nfs/dbraw/zinc/78/88/04/972788804.db2.gz WYYPZEOGKSLSIA-UHFFFAOYSA-N -1 0 349.350 2.639 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC001605132364 972795889 /nfs/dbraw/zinc/79/58/89/972795889.db2.gz IEYAAFVPHWXNLJ-HXUWFJFHSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncc1C#N ZINC001605201986 972938941 /nfs/dbraw/zinc/93/89/41/972938941.db2.gz DGPCBCLQPQGKIT-WCFLWFBJSA-N -1 0 330.388 2.519 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001605223513 972970473 /nfs/dbraw/zinc/97/04/73/972970473.db2.gz DYZBNEUGZASFTR-UHFFFAOYSA-N -1 0 326.356 2.717 20 30 EFEDRM Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001605273595 973062938 /nfs/dbraw/zinc/06/29/38/973062938.db2.gz MVDFJTYRDIJVBD-MSOLQXFVSA-N -1 0 349.390 2.979 20 30 EFEDRM Cn1cc(-c2csc(NC(=O)CCCCC#N)c2C(=O)[O-])cn1 ZINC001605477110 973592638 /nfs/dbraw/zinc/59/26/38/973592638.db2.gz MMQQJFQYULUGKN-UHFFFAOYSA-N -1 0 332.385 2.869 20 30 EFEDRM CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Oc1cccc(Cl)c1 ZINC001603551074 973625782 /nfs/dbraw/zinc/62/57/82/973625782.db2.gz YQBLKYCIJDIWGE-WBMJQRKESA-N -1 0 338.791 2.618 20 30 EFEDRM COCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC001604580981 973672508 /nfs/dbraw/zinc/67/25/08/973672508.db2.gz ZZTWSRVQVRHYLT-VQHVLOKHSA-N -1 0 340.335 2.542 20 30 EFEDRM N#CC1CCC(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001605582694 973867194 /nfs/dbraw/zinc/86/71/94/973867194.db2.gz DEAJESZYSLZULC-DNDXXGFKSA-N -1 0 341.411 2.929 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001605597219 973896098 /nfs/dbraw/zinc/89/60/98/973896098.db2.gz HOGXZBFPEOAOEC-MRXNPFEDSA-N -1 0 330.347 2.690 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Nc3cncc(C(=O)[O-])c3)CCC2)cc1 ZINC001605602245 973911143 /nfs/dbraw/zinc/91/11/43/973911143.db2.gz VJJOHQRBSALAAF-UHFFFAOYSA-N -1 0 336.351 2.852 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC3(C(=O)[O-])CCCC3)CCCC2)cc1 ZINC001605602219 973911895 /nfs/dbraw/zinc/91/18/95/973911895.db2.gz UBADCLMPSVNZIA-UHFFFAOYSA-N -1 0 326.396 2.884 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001605602212 973912292 /nfs/dbraw/zinc/91/22/92/973912292.db2.gz TWPSWZFCMHYVJE-UHFFFAOYSA-N -1 0 337.379 2.940 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cc2)nc1 ZINC001605612089 973924312 /nfs/dbraw/zinc/92/43/12/973924312.db2.gz JFLHFPNMZFNAES-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C3CC3)n2)c1 ZINC001605617415 973932446 /nfs/dbraw/zinc/93/24/46/973932446.db2.gz BCSGAQRGOMPULH-ZDUSSCGKSA-N -1 0 327.365 2.731 20 30 EFEDRM O=C([O-])C1(NC(=O)C(=O)/C=C/c2ccc(F)cc2)CCCCCC1 ZINC001605668841 974072818 /nfs/dbraw/zinc/07/28/18/974072818.db2.gz YJZLLZCDAINOAD-JXMROGBWSA-N -1 0 333.359 2.702 20 30 EFEDRM CCOc1cccc(/C=N\C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1O ZINC001603875722 974376830 /nfs/dbraw/zinc/37/68/30/974376830.db2.gz LDSQHNSDHKRZAK-OLLUQLHYSA-N -1 0 333.384 2.622 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-] ZINC001603926203 974417424 /nfs/dbraw/zinc/41/74/24/974417424.db2.gz IKWGMCJPVBCLLO-NHYWBVRUSA-N -1 0 333.388 2.966 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC001604025397 974550086 /nfs/dbraw/zinc/55/00/86/974550086.db2.gz VIJYZAMAABFMSL-GUYCJALGSA-N -1 0 338.354 2.716 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591759321 975840871 /nfs/dbraw/zinc/84/08/71/975840871.db2.gz ZCGLOPHEKRWIJE-OLZOCXBDSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1C#N ZINC001591787941 975966501 /nfs/dbraw/zinc/96/65/01/975966501.db2.gz HYHBZUSKIWDRNZ-GOEBONIOSA-N -1 0 346.383 2.696 20 30 EFEDRM CC(C)c1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c(C(=O)[O-])c1 ZINC001591967546 976564184 /nfs/dbraw/zinc/56/41/84/976564184.db2.gz FMMSYSONLAIPOE-SFHVURJKSA-N -1 0 331.416 2.975 20 30 EFEDRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001592105650 976878309 /nfs/dbraw/zinc/87/83/09/976878309.db2.gz FNMATVIVPCZGQL-UHFFFAOYSA-N -1 0 341.367 2.905 20 30 EFEDRM C[C@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001592212445 977268204 /nfs/dbraw/zinc/26/82/04/977268204.db2.gz RULRCIHRRCORQT-XCBNKYQSSA-N -1 0 345.218 2.644 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001592226251 977417467 /nfs/dbraw/zinc/41/74/67/977417467.db2.gz VSDYUULFGVWABH-FJJYHAOUSA-N -1 0 345.424 2.875 20 30 EFEDRM N#Cc1cc(Br)cnc1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711601357 977553961 /nfs/dbraw/zinc/55/39/61/977553961.db2.gz MVPTXJUQBMZJTB-RISCZKNCSA-N -1 0 336.189 2.549 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccn1 ZINC001592289024 977603554 /nfs/dbraw/zinc/60/35/54/977603554.db2.gz BATMASQUSUTAAJ-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1nc2ccccc2c(=O)n1C ZINC001592443480 978097845 /nfs/dbraw/zinc/09/78/45/978097845.db2.gz ARIYHAXYQMYOCT-UHFFFAOYSA-N -1 0 330.388 2.612 20 30 EFEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc(S(C)(=O)=O)cc1 ZINC001592445223 978109832 /nfs/dbraw/zinc/10/98/32/978109832.db2.gz XKZBAISKXRWXDE-UHFFFAOYSA-N -1 0 326.418 2.769 20 30 EFEDRM Cc1ccc(S(=O)(=O)CC(C)N=Nc2cccc(C(=O)[O-])c2)cc1 ZINC000734296074 978300938 /nfs/dbraw/zinc/30/09/38/978300938.db2.gz MYFMYFQXQWCYAP-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000736114612 978303125 /nfs/dbraw/zinc/30/31/25/978303125.db2.gz YVDDIVQWGBBSGV-UHFFFAOYSA-N -1 0 347.396 2.763 20 30 EFEDRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592540196 978422252 /nfs/dbraw/zinc/42/22/52/978422252.db2.gz HRXUMGBSFKUOGI-ZDUSSCGKSA-N -1 0 332.375 2.611 20 30 EFEDRM Cc1[nH]c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738154288 978487876 /nfs/dbraw/zinc/48/78/76/978487876.db2.gz IOGBVYHZLUBKKX-GFCCVEGCSA-N -1 0 331.759 2.978 20 30 EFEDRM N#CCc1ccc(NC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000738426460 978537194 /nfs/dbraw/zinc/53/71/94/978537194.db2.gz PTCZVCNTUNYDHK-INIZCTEOSA-N -1 0 337.379 2.818 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001592602695 978542107 /nfs/dbraw/zinc/54/21/07/978542107.db2.gz YDEHUXVLPUBNAA-HNNXBMFYSA-N -1 0 336.391 2.850 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(O)cc(C#N)c1)C(=O)[O-] ZINC001592604831 978547268 /nfs/dbraw/zinc/54/72/68/978547268.db2.gz DUKXIKKNEFXYAB-CYBMUJFWSA-N -1 0 338.363 2.627 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675762 978769105 /nfs/dbraw/zinc/76/91/05/978769105.db2.gz VZWCCBBADGOAFW-CQSZACIVSA-N -1 0 325.792 2.955 20 30 EFEDRM O=C([O-])c1cccc(/C=C2\CCc3c(cnn3-c3ncccn3)C2=O)c1 ZINC000792918206 978800988 /nfs/dbraw/zinc/80/09/88/978800988.db2.gz XCAWMYYZRIXCNP-UKTHLTGXSA-N -1 0 346.346 2.573 20 30 EFEDRM C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)SC1=S ZINC000794687067 978815601 /nfs/dbraw/zinc/81/56/01/978815601.db2.gz FNBIZHXPIITOMA-AVMBBCFPSA-N -1 0 349.433 2.926 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814715621 978875952 /nfs/dbraw/zinc/87/59/52/978875952.db2.gz DUXKFLOJRIMHJL-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM C[C@H]1C(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC[C@H]1CC(=O)[O-] ZINC000814730639 978877536 /nfs/dbraw/zinc/87/75/36/978877536.db2.gz QTECNZYVPBOICH-NDBYEHHHSA-N -1 0 325.478 2.906 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814831992 978889770 /nfs/dbraw/zinc/88/97/70/978889770.db2.gz ZRZHBHMHKAWPMI-WCQYABFASA-N -1 0 329.425 2.831 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1cc(C(=O)[O-])cs1 ZINC000814846098 978892622 /nfs/dbraw/zinc/89/26/22/978892622.db2.gz GLVKHKNSPMCQJS-UHFFFAOYSA-N -1 0 338.410 2.686 20 30 EFEDRM COc1cccc(-c2n[nH]cc2CN=Nc2ccc(C(=O)[O-])cn2)c1 ZINC000814889939 978896574 /nfs/dbraw/zinc/89/65/74/978896574.db2.gz FDCVVAJDZPUKDM-UHFFFAOYSA-N -1 0 337.339 2.625 20 30 EFEDRM CC1(C)CC(N=Nc2ccc(C(=O)[O-])cn2)c2cc(O)ccc2O1 ZINC000814890184 978896949 /nfs/dbraw/zinc/89/69/49/978896949.db2.gz JNQSHNCUBNSQEN-UHFFFAOYSA-N -1 0 327.340 2.863 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC000819812769 978924768 /nfs/dbraw/zinc/92/47/68/978924768.db2.gz PAOWCYPPDSPQKN-LLVKDONJSA-N -1 0 348.403 2.871 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000825608679 978940216 /nfs/dbraw/zinc/94/02/16/978940216.db2.gz IAVBQWAHGAUSNH-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826705338 978948405 /nfs/dbraw/zinc/94/84/05/978948405.db2.gz SDFNPZPKCYFTOH-NSHDSACASA-N -1 0 329.278 2.808 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000829951717 979010644 /nfs/dbraw/zinc/01/06/44/979010644.db2.gz OJGMGOSRPXULRN-AWEZNQCLSA-N -1 0 331.409 2.841 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000833077681 979078107 /nfs/dbraw/zinc/07/81/07/979078107.db2.gz YXFAJYWTZMXZOK-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM C[C@](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001592688572 979129604 /nfs/dbraw/zinc/12/96/04/979129604.db2.gz DXBMBNXDCHVUQS-WAOWUJCRSA-N -1 0 348.402 2.820 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595030362 979166895 /nfs/dbraw/zinc/16/68/95/979166895.db2.gz PCIJRNQPFNOADH-RYUDHWBXSA-N -1 0 343.305 2.980 20 30 EFEDRM CC[C@H](CC#N)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595030627 979169216 /nfs/dbraw/zinc/16/92/16/979169216.db2.gz ULDCIEAUGMWOIW-MRVPVSSYSA-N -1 0 340.177 2.961 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833469006 979189070 /nfs/dbraw/zinc/18/90/70/979189070.db2.gz STJBVNLVHXQDOQ-NEPJUHHUSA-N -1 0 343.305 2.678 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833469013 979189279 /nfs/dbraw/zinc/18/92/79/979189279.db2.gz STJBVNLVHXQDOQ-VXGBXAGGSA-N -1 0 343.305 2.678 20 30 EFEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC001595047683 979259333 /nfs/dbraw/zinc/25/93/33/979259333.db2.gz DPUHIZPTBDSCNA-LBPRGKRZSA-N -1 0 346.383 2.710 20 30 EFEDRM O=C([O-])C1CCC(N=Nc2cc(CO)ccc2Br)CC1 ZINC000841655494 979307957 /nfs/dbraw/zinc/30/79/57/979307957.db2.gz VSKOGJMDJSKFFJ-UHFFFAOYSA-N -1 0 341.205 2.984 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc2n(n1)CCCC2 ZINC000842530095 979317478 /nfs/dbraw/zinc/31/74/78/979317478.db2.gz GOQRSBMEUUATCN-UHFFFAOYSA-N -1 0 328.372 2.762 20 30 EFEDRM C[C@H](CO)N(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001592761790 979353182 /nfs/dbraw/zinc/35/31/82/979353182.db2.gz JSWYAJFKPXLCTE-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM C[C@H](CO)N(C)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001592762215 979355599 /nfs/dbraw/zinc/35/55/99/979355599.db2.gz PHGHRFNQGIRKFW-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM C[C@@](COC(=O)COc1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001592763439 979363729 /nfs/dbraw/zinc/36/37/29/979363729.db2.gz FGFJXHWNDFNSSI-IBGZPJMESA-N -1 0 339.347 2.523 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592780855 979411677 /nfs/dbraw/zinc/41/16/77/979411677.db2.gz NCPHEZPIKOKFGF-BPLDGKMQSA-N -1 0 331.368 2.760 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000851616947 979539860 /nfs/dbraw/zinc/53/98/60/979539860.db2.gz YHBLBIYTYOHRBG-OAHLLOKOSA-N -1 0 329.396 2.642 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592833165 979569074 /nfs/dbraw/zinc/56/90/74/979569074.db2.gz CJXYHJDBNAVRNZ-KDOFPFPSSA-N -1 0 337.375 2.976 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001592833646 979571397 /nfs/dbraw/zinc/57/13/97/979571397.db2.gz IFKFWOHSEIQQJL-KBXCAEBGSA-N -1 0 336.391 2.721 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001592834377 979575846 /nfs/dbraw/zinc/57/58/46/979575846.db2.gz PUWOYHWLXYUIJF-CRFBAAHOSA-N -1 0 326.396 2.593 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592834745 979579378 /nfs/dbraw/zinc/57/93/78/979579378.db2.gz WEDSOZMSZYIRJD-CYBMUJFWSA-N -1 0 349.390 2.809 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1sccc1CC#N)C(=O)[O-] ZINC001592846897 979622651 /nfs/dbraw/zinc/62/26/51/979622651.db2.gz DLIIEIMDWKFBOM-QGZVFWFLSA-N -1 0 346.383 2.769 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(CC#N)cc1)C(=O)[O-] ZINC001592847332 979624571 /nfs/dbraw/zinc/62/45/71/979624571.db2.gz GHELADAFQKCVAY-IBGZPJMESA-N -1 0 340.354 2.708 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)CC#Cc1ccccc1)C(=O)[O-] ZINC001592847701 979626956 /nfs/dbraw/zinc/62/69/56/979626956.db2.gz XSURFNCQEFEBJB-HXUWFJFHSA-N -1 0 339.366 2.770 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000863428908 979664540 /nfs/dbraw/zinc/66/45/40/979664540.db2.gz HPVPPDIBQJGRHQ-UHFFFAOYSA-N -1 0 329.418 2.642 20 30 EFEDRM CC[C@H](COC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001595183239 979815376 /nfs/dbraw/zinc/81/53/76/979815376.db2.gz MVJIGENZZYVTQH-CYBMUJFWSA-N -1 0 341.367 2.731 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1OC ZINC000864197472 979865291 /nfs/dbraw/zinc/86/52/91/979865291.db2.gz CUNKJZBWMOEVFG-GOSISDBHSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000871982652 980021928 /nfs/dbraw/zinc/02/19/28/980021928.db2.gz XQPVIBDPONARLS-NSHDSACASA-N -1 0 327.377 2.501 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000871999739 980033748 /nfs/dbraw/zinc/03/37/48/980033748.db2.gz AFWJCVITGBWLLU-UHFFFAOYSA-N -1 0 325.430 2.797 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1)C(=O)[O-] ZINC000872406988 980074968 /nfs/dbraw/zinc/07/49/68/980074968.db2.gz NUGDPFHJCVTOKN-YPMHNXCESA-N -1 0 326.343 2.897 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000872704509 980083319 /nfs/dbraw/zinc/08/33/19/980083319.db2.gz DYCMNWLSYJUOED-DLBZAZTESA-N -1 0 331.412 2.514 20 30 EFEDRM C=CCCC(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000872749043 980137123 /nfs/dbraw/zinc/13/71/23/980137123.db2.gz AMWABRSPXLBSFW-GFCCVEGCSA-N -1 0 331.290 2.663 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C2 ZINC000873000901 980163122 /nfs/dbraw/zinc/16/31/22/980163122.db2.gz ARCMHINUFILHTP-INIZCTEOSA-N -1 0 326.396 2.567 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000887331588 980220986 /nfs/dbraw/zinc/22/09/86/980220986.db2.gz YJDACPBTKAQFGM-XJKSGUPXSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000898860785 980224808 /nfs/dbraw/zinc/22/48/08/980224808.db2.gz HUQQEQRRZUVJBF-CVEARBPZSA-N -1 0 332.400 2.579 20 30 EFEDRM O=C([O-])c1coc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000901127174 980259500 /nfs/dbraw/zinc/25/95/00/980259500.db2.gz SWYGKAAIJMBNEQ-UHFFFAOYSA-N -1 0 343.364 2.510 20 30 EFEDRM C[C@](NC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593019846 980274208 /nfs/dbraw/zinc/27/42/08/980274208.db2.gz JBXJLOKHXONTCE-LJQANCHMSA-N -1 0 340.354 2.746 20 30 EFEDRM CC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H](C)C(=O)[O-] ZINC001595343346 980623928 /nfs/dbraw/zinc/62/39/28/980623928.db2.gz ATMUQKFOTLVIEY-ZWNOBZJWSA-N -1 0 330.340 2.907 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C#N)nc1 ZINC001595362012 980767086 /nfs/dbraw/zinc/76/70/86/980767086.db2.gz UCOHCEUYZSDYFY-KRWDZBQOSA-N -1 0 337.379 2.560 20 30 EFEDRM CCC1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCCCC1 ZINC001595392439 980952085 /nfs/dbraw/zinc/95/20/85/980952085.db2.gz XJZVAPZEVPWEID-UHFFFAOYSA-N -1 0 336.413 2.648 20 30 EFEDRM CC[C@@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001595413184 981013216 /nfs/dbraw/zinc/01/32/16/981013216.db2.gz JIEDHVGKTUFWTF-GXTWGEPZSA-N -1 0 331.368 2.895 20 30 EFEDRM CC[C@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001595413186 981013247 /nfs/dbraw/zinc/01/32/47/981013247.db2.gz JIEDHVGKTUFWTF-OCCSQVGLSA-N -1 0 331.368 2.895 20 30 EFEDRM CC[C@@H]1C[C@@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001595414123 981020071 /nfs/dbraw/zinc/02/00/71/981020071.db2.gz YWANBADVUJWSQI-MJEQTWJJSA-N -1 0 331.368 2.822 20 30 EFEDRM CC/C=C\[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001595513547 981305149 /nfs/dbraw/zinc/30/51/49/981305149.db2.gz DJUWSGBQTVYLSH-UMBAGQNISA-N -1 0 328.246 2.548 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001595532102 981370157 /nfs/dbraw/zinc/37/01/57/981370157.db2.gz DDTYQSDUKIZYCN-UHFFFAOYSA-N -1 0 344.458 2.896 20 30 EFEDRM CCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCC1 ZINC001595600593 981581593 /nfs/dbraw/zinc/58/15/93/981581593.db2.gz MKQDWTXJAWDZRV-AWEZNQCLSA-N -1 0 336.413 2.504 20 30 EFEDRM CCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCC1 ZINC001595600594 981581637 /nfs/dbraw/zinc/58/16/37/981581637.db2.gz MKQDWTXJAWDZRV-CQSZACIVSA-N -1 0 336.413 2.504 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001594777606 981769067 /nfs/dbraw/zinc/76/90/67/981769067.db2.gz BWDDPMQCRJOCAF-KRWDZBQOSA-N -1 0 328.324 2.532 20 30 EFEDRM CC[C@](C)(CC(=O)[O-])NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594815824 981945951 /nfs/dbraw/zinc/94/59/51/981945951.db2.gz QAEHQZNLXYRBFK-OAHLLOKOSA-N -1 0 327.302 2.817 20 30 EFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001594815823 981946087 /nfs/dbraw/zinc/94/60/87/981946087.db2.gz QAEHQZNLXYRBFK-HNNXBMFYSA-N -1 0 327.302 2.817 20 30 EFEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001594821151 981967866 /nfs/dbraw/zinc/96/78/66/981967866.db2.gz OFNNWXIRMCSXDR-QGZVFWFLSA-N -1 0 327.340 2.586 20 30 EFEDRM CCCCCCCNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595704335 982273266 /nfs/dbraw/zinc/27/32/66/982273266.db2.gz FZKXFQKSQWCFEV-UHFFFAOYSA-N -1 0 342.342 2.688 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001595709023 982289994 /nfs/dbraw/zinc/28/99/94/982289994.db2.gz QYXZELQFOLCOKH-MRXNPFEDSA-N -1 0 327.446 2.876 20 30 EFEDRM CCCCCn1nc(C)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595727957 982355997 /nfs/dbraw/zinc/35/59/97/982355997.db2.gz UOKHHWPRKFDCII-UHFFFAOYSA-N -1 0 347.419 2.604 20 30 EFEDRM CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001595802903 982621833 /nfs/dbraw/zinc/62/18/33/982621833.db2.gz POSFRHUQMIIDAH-OAHLLOKOSA-N -1 0 339.399 2.528 20 30 EFEDRM CC[C@@H](C)C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001594944536 982627930 /nfs/dbraw/zinc/62/79/30/982627930.db2.gz GPEOILGNVRPBQT-ABAIWWIYSA-N -1 0 341.367 2.832 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC2CCC1CC2 ZINC000923064207 982703296 /nfs/dbraw/zinc/70/32/96/982703296.db2.gz NCWLXQMREBXMHN-VLEUTVDFSA-N -1 0 326.396 2.691 20 30 EFEDRM N#CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC2(CC2)C1 ZINC000923065734 982703864 /nfs/dbraw/zinc/70/38/64/982703864.db2.gz RBBHPJPSCKJRGE-UHFFFAOYSA-N -1 0 342.395 2.630 20 30 EFEDRM C[C@@](CNC(=O)[C@@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923075970 982708107 /nfs/dbraw/zinc/70/81/07/982708107.db2.gz UBIYPNDURRKPTF-HKUYNNGSSA-N -1 0 326.396 2.619 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000923084182 982713992 /nfs/dbraw/zinc/71/39/92/982713992.db2.gz WTRPQDPVDPQZBN-DKICVRJWSA-N -1 0 340.423 2.909 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000923084190 982714136 /nfs/dbraw/zinc/71/41/36/982714136.db2.gz WTRPQDPVDPQZBN-UVFQYZLESA-N -1 0 340.423 2.909 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCCOc1cccc(C#N)c1 ZINC001594972447 982743677 /nfs/dbraw/zinc/74/36/77/982743677.db2.gz UZBZIIJWUOKGIJ-CQSZACIVSA-N -1 0 332.400 2.819 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001594975438 982749192 /nfs/dbraw/zinc/74/91/92/982749192.db2.gz IXULMMHPKDDVPL-LLVKDONJSA-N -1 0 327.340 2.539 20 30 EFEDRM CCCN(CC(F)(F)F)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001595862710 982799409 /nfs/dbraw/zinc/79/94/09/982799409.db2.gz GKLSGIUJHBHKDC-UHFFFAOYSA-N -1 0 346.305 2.536 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985371 982799907 /nfs/dbraw/zinc/79/99/07/982799907.db2.gz OGLHFHZBQPIBJU-VFZGTOFNSA-N -1 0 331.347 2.921 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001595885713 982908857 /nfs/dbraw/zinc/90/88/57/982908857.db2.gz CLIIYBXNEKTTRJ-QGZVFWFLSA-N -1 0 343.427 2.981 20 30 EFEDRM CC[C@@H](C)Oc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001595000819 982913360 /nfs/dbraw/zinc/91/33/60/982913360.db2.gz YPMFRUJLBMXFLP-CYBMUJFWSA-N -1 0 330.384 2.694 20 30 EFEDRM CCCN1CCCC[C@@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595910066 983001046 /nfs/dbraw/zinc/00/10/46/983001046.db2.gz YBSFFZXMIXIVCS-MRXNPFEDSA-N -1 0 330.384 2.564 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001121921116 983037452 /nfs/dbraw/zinc/03/74/52/983037452.db2.gz ONEZMAUKJMSSJD-USXIJHARSA-N -1 0 330.428 2.926 20 30 EFEDRM CCCOc1cccnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595974189 983200081 /nfs/dbraw/zinc/20/00/81/983200081.db2.gz NOXKMHIAVMCKMO-UHFFFAOYSA-N -1 0 340.335 2.797 20 30 EFEDRM C#CC(C)(C)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367023 983295801 /nfs/dbraw/zinc/29/58/01/983295801.db2.gz FVIJIACFCVMTDJ-LLVKDONJSA-N -1 0 328.290 2.699 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588369345 983313424 /nfs/dbraw/zinc/31/34/24/983313424.db2.gz IVVBECTVQSZMFD-RYUDHWBXSA-N -1 0 335.429 2.532 20 30 EFEDRM C#C[C@H](CCC)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001588370479 983319679 /nfs/dbraw/zinc/31/96/79/983319679.db2.gz FDDGKZYQDGKEQQ-SNVBAGLBSA-N -1 0 326.299 2.910 20 30 EFEDRM C#C[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001588371981 983326680 /nfs/dbraw/zinc/32/66/80/983326680.db2.gz BDKBSIISBUOBBV-MFKMUULPSA-N -1 0 338.201 2.741 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372080 983328088 /nfs/dbraw/zinc/32/80/88/983328088.db2.gz CMSIKIKNUOQLRI-GJZGRUSLSA-N -1 0 346.814 2.911 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588372220 983329137 /nfs/dbraw/zinc/32/91/37/983329137.db2.gz FXLMJMGRZYSHBF-IPMKNSEASA-N -1 0 348.402 2.871 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)C(C)(C)C ZINC001588373358 983338109 /nfs/dbraw/zinc/33/81/09/983338109.db2.gz DURIHBFIBVGJBA-LBPRGKRZSA-N -1 0 338.201 2.925 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588374159 983341611 /nfs/dbraw/zinc/34/16/11/983341611.db2.gz PPWUZTLGCPQEAL-MRXNPFEDSA-N -1 0 326.327 2.698 20 30 EFEDRM C#C[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(Br)cc1 ZINC001588375790 983347827 /nfs/dbraw/zinc/34/78/27/983347827.db2.gz JFKKNMWZLDMFNL-NSHDSACASA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@H](NS(=O)(=O)CCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001588377266 983356456 /nfs/dbraw/zinc/35/64/56/983356456.db2.gz KGZKSFKSIOMJBU-AWEZNQCLSA-N -1 0 343.832 2.579 20 30 EFEDRM C#CC1(NS(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)CCCC1 ZINC001588379545 983364683 /nfs/dbraw/zinc/36/46/83/983364683.db2.gz KQBPFHXXMZWECE-UHFFFAOYSA-N -1 0 347.845 2.632 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588382811 983374875 /nfs/dbraw/zinc/37/48/75/983374875.db2.gz TZGNSYIPTARGAM-YPMHNXCESA-N -1 0 334.347 2.697 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1CC1CC1 ZINC001588389844 983388899 /nfs/dbraw/zinc/38/88/99/983388899.db2.gz BYFDCLKHBNOTHH-DZGCQCFKSA-N -1 0 344.459 2.536 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588390305 983393069 /nfs/dbraw/zinc/39/30/69/983393069.db2.gz QWKXGAIXTXYTDJ-KGLIPLIRSA-N -1 0 332.448 2.659 20 30 EFEDRM C#CCC(C)(C)C(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588390425 983394137 /nfs/dbraw/zinc/39/41/37/983394137.db2.gz UZAZNOBFEABRRJ-UHFFFAOYSA-N -1 0 337.397 2.594 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588390501 983394699 /nfs/dbraw/zinc/39/46/99/983394699.db2.gz WJNYWTHVHZHMLO-IEBWSBKVSA-N -1 0 337.419 2.729 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1CC=C ZINC001588390531 983394903 /nfs/dbraw/zinc/39/49/03/983394903.db2.gz XBWJLAJCYQUWED-VNQPRFMTSA-N -1 0 342.443 2.528 20 30 EFEDRM C#CC[C@@H](CCOC)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588393211 983396960 /nfs/dbraw/zinc/39/69/60/983396960.db2.gz DANNCGVSEGBZOH-VIFPVBQESA-N -1 0 326.736 2.787 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001588393510 983398720 /nfs/dbraw/zinc/39/87/20/983398720.db2.gz CKIROOORCTZAEW-HNNXBMFYSA-N -1 0 325.339 2.888 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588394539 983402909 /nfs/dbraw/zinc/40/29/09/983402909.db2.gz NNASKTZVBOWZSR-ZDUSSCGKSA-N -1 0 348.399 2.722 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001588396339 983408341 /nfs/dbraw/zinc/40/83/41/983408341.db2.gz XREJNEOGYZLURB-AWEZNQCLSA-N -1 0 325.324 2.735 20 30 EFEDRM C#CC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588398085 983410501 /nfs/dbraw/zinc/41/05/01/983410501.db2.gz CLHZGJGQSQGJON-VIFPVBQESA-N -1 0 336.121 2.678 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588398528 983413013 /nfs/dbraw/zinc/41/30/13/983413013.db2.gz KZONLVMKWVANLB-ASCRHOAZSA-N -1 0 341.285 2.581 20 30 EFEDRM C#CC[C@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588399963 983417430 /nfs/dbraw/zinc/41/74/30/983417430.db2.gz ZPDKBMMAUMWJRJ-KGTBHZDVSA-N -1 0 329.249 2.609 20 30 EFEDRM C#CC[C@@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC001588406434 983425543 /nfs/dbraw/zinc/42/55/43/983425543.db2.gz QDASNDAYBTXRPB-MRVPVSSYSA-N -1 0 348.207 2.611 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588406923 983426653 /nfs/dbraw/zinc/42/66/53/983426653.db2.gz BTAUQGJSSVOILD-OPQQBVKSSA-N -1 0 326.179 2.690 20 30 EFEDRM CCCc1sc(C(=O)N(CC#N)CC(=O)[O-])cc1Br ZINC001596102622 983427926 /nfs/dbraw/zinc/42/79/26/983427926.db2.gz JOOTXIHEDJXNLM-UHFFFAOYSA-N -1 0 345.218 2.513 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001588415691 983435611 /nfs/dbraw/zinc/43/56/11/983435611.db2.gz FJUYGLGRNBHKPS-AWEZNQCLSA-N -1 0 329.377 2.778 20 30 EFEDRM C#CCC1(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)CCCCC1 ZINC001588427838 983458641 /nfs/dbraw/zinc/45/86/41/983458641.db2.gz NZLSFEMBSDNPDG-UHFFFAOYSA-N -1 0 331.416 2.557 20 30 EFEDRM C#CC[C@H]1CCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C1 ZINC001588433516 983467967 /nfs/dbraw/zinc/46/79/67/983467967.db2.gz ABPDLUNYFMBLOO-ZDUSSCGKSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2[nH]c(C(=O)[O-])cc2C(C)=O)cc1 ZINC001588455935 983480832 /nfs/dbraw/zinc/48/08/32/983480832.db2.gz XEDAIAQUDLTFCS-UHFFFAOYSA-N -1 0 340.335 2.570 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001588455869 983480864 /nfs/dbraw/zinc/48/08/64/983480864.db2.gz UULOLHGVPNOOCN-KRWDZBQOSA-N -1 0 349.386 2.992 20 30 EFEDRM C#CCCOc1ccc(C(=O)O[C@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001588457562 983481975 /nfs/dbraw/zinc/48/19/75/983481975.db2.gz CWXHUTGNMSHMAD-LLVKDONJSA-N -1 0 329.308 2.693 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001588458601 983483537 /nfs/dbraw/zinc/48/35/37/983483537.db2.gz PWULXVHMDQUROH-UHFFFAOYSA-N -1 0 349.346 2.916 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)C1CCCC1 ZINC001588459668 983485453 /nfs/dbraw/zinc/48/54/53/983485453.db2.gz GRPXANUVDREURV-UHFFFAOYSA-N -1 0 346.383 2.812 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CSC1 ZINC001588460106 983487120 /nfs/dbraw/zinc/48/71/20/983487120.db2.gz SFWCTMCXYSVIBO-GFCCVEGCSA-N -1 0 332.425 2.532 20 30 EFEDRM CCN(C(=O)CCc1ocnc1C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001596140069 983492613 /nfs/dbraw/zinc/49/26/13/983492613.db2.gz PXGLPAFWYVDKFO-LBPRGKRZSA-N -1 0 341.367 2.787 20 30 EFEDRM C#CCN(CC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001588465723 983496199 /nfs/dbraw/zinc/49/61/99/983496199.db2.gz DTCUGKILSVKVKP-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(C#N)c(Cl)c1 ZINC001596143966 983498961 /nfs/dbraw/zinc/49/89/61/983498961.db2.gz YYUWINWYXQTXAP-UHFFFAOYSA-N -1 0 343.770 2.900 20 30 EFEDRM C#CCN(CC)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588468008 983500156 /nfs/dbraw/zinc/50/01/56/983500156.db2.gz KKBDJZLHRPGELP-LBPRGKRZSA-N -1 0 328.290 2.653 20 30 EFEDRM C#CCN(CC1CC1)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588468402 983500932 /nfs/dbraw/zinc/50/09/32/983500932.db2.gz XWALQVGHUSLSEW-UHFFFAOYSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001588469744 983503273 /nfs/dbraw/zinc/50/32/73/983503273.db2.gz PTZRZLXQWAOGMX-UHFFFAOYSA-N -1 0 327.355 2.925 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588470005 983504629 /nfs/dbraw/zinc/50/46/29/983504629.db2.gz YKSQMCWFBDVULQ-NTMALXAHSA-N -1 0 327.311 2.792 20 30 EFEDRM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001596156786 983516514 /nfs/dbraw/zinc/51/65/14/983516514.db2.gz LMHTUVQHORKNSX-QWHCGFSZSA-N -1 0 341.392 2.870 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588497442 983538968 /nfs/dbraw/zinc/53/89/68/983538968.db2.gz GXDYYVBOOLAQSR-MSOLQXFVSA-N -1 0 335.359 2.742 20 30 EFEDRM C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588497517 983539536 /nfs/dbraw/zinc/53/95/36/983539536.db2.gz KYUDMUOORLMKSQ-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])cc1 ZINC001588499062 983544724 /nfs/dbraw/zinc/54/47/24/983544724.db2.gz LVPWTLRXEJKKHI-LJQANCHMSA-N -1 0 329.396 2.804 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001588499116 983544958 /nfs/dbraw/zinc/54/49/58/983544958.db2.gz NWNSXUJOHGVRDL-AWEZNQCLSA-N -1 0 336.363 2.849 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001588509455 983553042 /nfs/dbraw/zinc/55/30/42/983553042.db2.gz GESGYNJWTVFYAB-UHFFFAOYSA-N -1 0 329.377 2.806 20 30 EFEDRM C#CCSc1ccc(COC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001588509914 983553934 /nfs/dbraw/zinc/55/39/34/983553934.db2.gz UBDPDVIASQAESN-LSDHHAIUSA-N -1 0 348.420 2.725 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001588509907 983554136 /nfs/dbraw/zinc/55/41/36/983554136.db2.gz SUWRRROSTMCCNW-UHFFFAOYSA-N -1 0 327.361 2.862 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001588510216 983554751 /nfs/dbraw/zinc/55/47/51/983554751.db2.gz ABPBSXQYKJEIFT-FRFSOERESA-N -1 0 326.396 2.572 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001588510415 983555747 /nfs/dbraw/zinc/55/57/47/983555747.db2.gz GFWGEXYDOKKGFR-AULYBMBSSA-N -1 0 345.355 2.915 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001588510974 983558156 /nfs/dbraw/zinc/55/81/56/983558156.db2.gz PUJSFLLWMIJBRY-XYPYZODXSA-N -1 0 335.429 2.819 20 30 EFEDRM C#Cc1ccc([C@H](OC(=O)[C@H]2CC[C@H]2C(=O)[O-])C(F)(F)F)cc1 ZINC001588516713 983561904 /nfs/dbraw/zinc/56/19/04/983561904.db2.gz XQBGJDHUVKTCLV-AGIUHOORSA-N -1 0 326.270 2.925 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001588518216 983568603 /nfs/dbraw/zinc/56/86/03/983568603.db2.gz WIYVYKGAJWBPPS-FQEVSTJZSA-N -1 0 334.375 2.928 20 30 EFEDRM C#Cc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC001588522423 983571216 /nfs/dbraw/zinc/57/12/16/983571216.db2.gz XEFWJOUUEHEHNG-GOSISDBHSA-N -1 0 325.364 2.601 20 30 EFEDRM C#Cc1ccccc1CC(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588528717 983577801 /nfs/dbraw/zinc/57/78/01/983577801.db2.gz FHCFPWYJBSXUAX-QGZVFWFLSA-N -1 0 326.323 2.589 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001588528715 983577850 /nfs/dbraw/zinc/57/78/50/983577850.db2.gz FFMIZAIWQILROO-UHFFFAOYSA-N -1 0 348.280 2.961 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588528849 983578631 /nfs/dbraw/zinc/57/86/31/983578631.db2.gz JUWXMNJLGIKAIU-UHFFFAOYSA-N -1 0 343.766 2.966 20 30 EFEDRM CCN(C1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596196563 983579299 /nfs/dbraw/zinc/57/92/99/983579299.db2.gz IJNJOLLYEFHGAD-UHFFFAOYSA-N -1 0 336.413 2.600 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001588529061 983579635 /nfs/dbraw/zinc/57/96/35/983579635.db2.gz OSMLCPZBWDRWGH-UHFFFAOYSA-N -1 0 326.377 2.881 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001588529216 983580339 /nfs/dbraw/zinc/58/03/39/983580339.db2.gz SXRXERCOOAFRGQ-UHFFFAOYSA-N -1 0 343.177 2.570 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588533896 983584680 /nfs/dbraw/zinc/58/46/80/983584680.db2.gz BVUCGGWOPHUWCO-JKSUJKDBSA-N -1 0 332.400 2.507 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588535767 983590879 /nfs/dbraw/zinc/59/08/79/983590879.db2.gz LQPFPMLNQGHHCC-OLZOCXBDSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588536353 983593480 /nfs/dbraw/zinc/59/34/80/983593480.db2.gz ADODCKKMDVUHIA-CHWSQXEVSA-N -1 0 342.436 2.558 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588536857 983596365 /nfs/dbraw/zinc/59/63/65/983596365.db2.gz VAHNMXLUSJMBGX-LLLHUVSDSA-N -1 0 344.411 2.977 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588536911 983596742 /nfs/dbraw/zinc/59/67/42/983596742.db2.gz VQJNPVPKRRDUCA-BBRMVZONSA-N -1 0 348.399 2.634 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCOc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588541371 983607251 /nfs/dbraw/zinc/60/72/51/983607251.db2.gz XUPLQWXULNBBSB-CYBMUJFWSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(=O)[O-] ZINC001588542801 983609622 /nfs/dbraw/zinc/60/96/22/983609622.db2.gz RMCKMAXTVPMXCJ-YHUYYLMFSA-N -1 0 325.449 2.999 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)[O-] ZINC001588542798 983609638 /nfs/dbraw/zinc/60/96/38/983609638.db2.gz RMCKMAXTVPMXCJ-FXUDXRNXSA-N -1 0 325.449 2.999 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCn1c(CC)nc2ccccc21)C(=O)[O-] ZINC001588542983 983610410 /nfs/dbraw/zinc/61/04/10/983610410.db2.gz UVKCJNMNXHZMGH-AWEZNQCLSA-N -1 0 329.400 2.524 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588543198 983610912 /nfs/dbraw/zinc/61/09/12/983610912.db2.gz YCXZWKLRJCCVIL-SMDDNHRTSA-N -1 0 347.440 2.893 20 30 EFEDRM CCN(CC(=O)[O-])C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC001596221440 983612152 /nfs/dbraw/zinc/61/21/52/983612152.db2.gz QBYGHILBDPFEGN-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccn1)C(=O)[O-] ZINC001588546364 983615240 /nfs/dbraw/zinc/61/52/40/983615240.db2.gz ICEGTFCXKPKRES-QGZVFWFLSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001588546469 983615801 /nfs/dbraw/zinc/61/58/01/983615801.db2.gz LXKOYLBSQHJVJQ-CYBMUJFWSA-N -1 0 338.335 2.543 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC)cc1OCC(C)C)C(=O)[O-] ZINC001588546519 983615982 /nfs/dbraw/zinc/61/59/82/983615982.db2.gz MRFPRHJDYXCLFI-OAHLLOKOSA-N -1 0 335.400 2.879 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001588547184 983618702 /nfs/dbraw/zinc/61/87/02/983618702.db2.gz HOPSAWQIDGRZBW-SECBINFHSA-N -1 0 336.697 2.903 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588547705 983621111 /nfs/dbraw/zinc/62/11/11/983621111.db2.gz MBEWPYQXXWKGHX-LBPRGKRZSA-N -1 0 342.754 2.587 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(=O)[O-] ZINC001588548357 983624100 /nfs/dbraw/zinc/62/41/00/983624100.db2.gz TYXDMKPXWHPEPY-NSHDSACASA-N -1 0 336.413 2.554 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)C(=O)[O-] ZINC001588548587 983624372 /nfs/dbraw/zinc/62/43/72/983624372.db2.gz RGGOPLRIGBOIMX-GFCCVEGCSA-N -1 0 346.408 2.968 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccn(Cc2ccccc2)c1C)C(=O)[O-] ZINC001588548756 983625093 /nfs/dbraw/zinc/62/50/93/983625093.db2.gz TTZURJJQCAZQKJ-KRWDZBQOSA-N -1 0 326.396 2.994 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)[O-] ZINC001588553035 983626909 /nfs/dbraw/zinc/62/69/09/983626909.db2.gz GGLNJUYZFRREGX-FMFIFOJESA-N -1 0 329.805 2.650 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588567478 983647058 /nfs/dbraw/zinc/64/70/58/983647058.db2.gz MEGFJCVSLKNJCE-SOFGYWHQSA-N -1 0 345.351 2.681 20 30 EFEDRM C=C(C)CNC(=S)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588569788 983649803 /nfs/dbraw/zinc/64/98/03/983649803.db2.gz KRFCRQGPSOFVNA-UONOGXRCSA-N -1 0 338.860 2.891 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588576997 983655280 /nfs/dbraw/zinc/65/52/80/983655280.db2.gz KEUUGVHUIJVJMP-IAQYHMDHSA-N -1 0 344.415 2.888 20 30 EFEDRM C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588578479 983658525 /nfs/dbraw/zinc/65/85/25/983658525.db2.gz IRXPWNIUQLXYKW-GOSISDBHSA-N -1 0 343.431 2.551 20 30 EFEDRM C=C(C)Cn1c([C@H](C)SC)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588588869 983664730 /nfs/dbraw/zinc/66/47/30/983664730.db2.gz BQBZCEYQTBUNHA-RWMBFGLXSA-N -1 0 338.477 2.825 20 30 EFEDRM C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588588857 983664742 /nfs/dbraw/zinc/66/47/42/983664742.db2.gz BHRJJQYLJMVYIE-MKBNYLNASA-N -1 0 338.477 2.825 20 30 EFEDRM C=C(C)Cn1c(C)nnc1N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588590935 983670753 /nfs/dbraw/zinc/67/07/53/983670753.db2.gz CXMHFRXSSGMGNA-LBPRGKRZSA-N -1 0 347.444 2.701 20 30 EFEDRM C=C(C)Cn1c(C2CCCCC2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588592162 983675860 /nfs/dbraw/zinc/67/58/60/983675860.db2.gz SMTCAFKCNMBXDC-GOSISDBHSA-N -1 0 348.447 2.582 20 30 EFEDRM C=C(C)Cn1c(C2CCCCC2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001588592163 983676042 /nfs/dbraw/zinc/67/60/42/983676042.db2.gz SMTCAFKCNMBXDC-SFHVURJKSA-N -1 0 348.447 2.582 20 30 EFEDRM C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588597548 983679750 /nfs/dbraw/zinc/67/97/50/983679750.db2.gz HGOISFZEWUFTIL-AWEZNQCLSA-N -1 0 346.353 2.650 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnc1C(C)(C)C ZINC001588599338 983689532 /nfs/dbraw/zinc/68/95/32/983689532.db2.gz YQXJRQANSARBPV-UONOGXRCSA-N -1 0 332.448 2.699 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC001588606904 983698928 /nfs/dbraw/zinc/69/89/28/983698928.db2.gz LYZRICNKTWSMPF-GFCCVEGCSA-N -1 0 346.210 2.906 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC001588612541 983703328 /nfs/dbraw/zinc/70/33/28/983703328.db2.gz RRDDVIYQBGSJPE-UHFFFAOYSA-N -1 0 331.290 2.965 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC001588614270 983707001 /nfs/dbraw/zinc/70/70/01/983707001.db2.gz PVBLUKVUDDLISE-UHFFFAOYSA-N -1 0 338.791 2.526 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC001588614705 983708651 /nfs/dbraw/zinc/70/86/51/983708651.db2.gz ZTRHUHKIHJOPDO-UHFFFAOYSA-N -1 0 339.391 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1ccccc1Br ZINC001588619116 983715034 /nfs/dbraw/zinc/71/50/34/983715034.db2.gz LJFUSTKFFQTFCS-LLVKDONJSA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC001588619542 983717419 /nfs/dbraw/zinc/71/74/19/983717419.db2.gz WVNBJIGEUNFHJH-NHYWBVRUSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCSCc1ccnc(Cl)c1 ZINC001588624223 983730747 /nfs/dbraw/zinc/73/07/47/983730747.db2.gz AUYGYDGWXUQMRD-UHFFFAOYSA-N -1 0 328.821 2.505 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 ZINC001588629289 983736516 /nfs/dbraw/zinc/73/65/16/983736516.db2.gz FFCKYFUIOWTPCB-WBMJQRKESA-N -1 0 330.384 2.807 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001588629506 983737681 /nfs/dbraw/zinc/73/76/81/983737681.db2.gz LNHLRENZQRCLET-UHFFFAOYSA-N -1 0 339.351 2.693 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001588629546 983737695 /nfs/dbraw/zinc/73/76/95/983737695.db2.gz LWUNCDOEZIVDKC-UHFFFAOYSA-N -1 0 328.246 2.816 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccccc1C(=O)OC(C)(C)C ZINC001588630144 983741715 /nfs/dbraw/zinc/74/17/15/983741715.db2.gz ROTZXQNNPWSWAD-UHFFFAOYSA-N -1 0 333.384 2.679 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC001588630171 983741747 /nfs/dbraw/zinc/74/17/47/983741747.db2.gz SMOXGMIDRWHIQA-UHFFFAOYSA-N -1 0 336.294 2.657 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC001588634492 983753127 /nfs/dbraw/zinc/75/31/27/983753127.db2.gz WADQJROHRRQLEA-UHFFFAOYSA-N -1 0 339.351 2.693 20 30 EFEDRM C=C(CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001588637111 983759102 /nfs/dbraw/zinc/75/91/02/983759102.db2.gz HGSNBPYKSIZYFT-UHFFFAOYSA-N -1 0 328.372 2.538 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588644346 983769380 /nfs/dbraw/zinc/76/93/80/983769380.db2.gz QOEPLABAWDVHPR-TXEJJXNPSA-N -1 0 341.816 2.910 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001588644416 983769942 /nfs/dbraw/zinc/76/99/42/983769942.db2.gz VTIPYSZWZDSYPQ-TXEJJXNPSA-N -1 0 335.791 2.826 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CC1 ZINC001588649959 983771382 /nfs/dbraw/zinc/77/13/82/983771382.db2.gz NZXQODLRTUCETF-UHFFFAOYSA-N -1 0 345.367 2.688 20 30 EFEDRM C=C[C@H](C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001588664056 983798463 /nfs/dbraw/zinc/79/84/63/983798463.db2.gz NCPSIPGVJOUBPI-ZWKOTPCHSA-N -1 0 337.375 2.700 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664785 983804543 /nfs/dbraw/zinc/80/45/43/983804543.db2.gz VYGCXGFPZBSLJH-ZIAGYGMSSA-N -1 0 332.400 2.582 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588673230 983828924 /nfs/dbraw/zinc/82/89/24/983828924.db2.gz NCUYRJYRCXETPK-TXKKKEFDSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588676882 983832133 /nfs/dbraw/zinc/83/21/33/983832133.db2.gz HGCYBNHRCRNWNV-UHFFFAOYSA-N -1 0 338.429 2.720 20 30 EFEDRM C=CC(C)(C)CNC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588676894 983832435 /nfs/dbraw/zinc/83/24/35/983832435.db2.gz IIHNLYNOJJGYFT-UHFFFAOYSA-N -1 0 337.445 2.943 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001588680641 983835641 /nfs/dbraw/zinc/83/56/41/983835641.db2.gz CMEYIXQXVPUUGK-GOSISDBHSA-N -1 0 332.448 2.744 20 30 EFEDRM C=CC(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588680963 983837686 /nfs/dbraw/zinc/83/76/86/983837686.db2.gz JXTJSOQWRKIQBJ-UHFFFAOYSA-N -1 0 338.212 2.935 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588683820 983851505 /nfs/dbraw/zinc/85/15/05/983851505.db2.gz FMNIIPYIFKLFGF-FXAWDEMLSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588683963 983852973 /nfs/dbraw/zinc/85/29/73/983852973.db2.gz IBBGVZUNXNCMRB-IUODEOHRSA-N -1 0 345.317 2.665 20 30 EFEDRM C=C[C@](C)(O)CC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588684695 983863067 /nfs/dbraw/zinc/86/30/67/983863067.db2.gz WRMAKNXHYPBQKR-KRWDZBQOSA-N -1 0 346.408 2.703 20 30 EFEDRM C=C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588686773 983866896 /nfs/dbraw/zinc/86/68/96/983866896.db2.gz DOZPMUKXRIVQBZ-ZETCQYMHSA-N -1 0 325.752 2.693 20 30 EFEDRM C=C[C@H](C)ONC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588688016 983872916 /nfs/dbraw/zinc/87/29/16/983872916.db2.gz VXKUSRQAGFRDIH-WPRPVWTQSA-N -1 0 325.390 2.502 20 30 EFEDRM C=C[C@H](COC)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588692929 983888040 /nfs/dbraw/zinc/88/80/40/983888040.db2.gz NDKBDGNHRPVYAK-CYBMUJFWSA-N -1 0 338.429 2.717 20 30 EFEDRM CCN1C(=O)CCc2cc(Nc3ccc(C(=O)[O-])nc3C#N)ccc21 ZINC001596389259 983920062 /nfs/dbraw/zinc/92/00/62/983920062.db2.gz DCDHRPFSGALKBF-UHFFFAOYSA-N -1 0 336.351 2.694 20 30 EFEDRM C=C[C@H](OC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001588712511 983944970 /nfs/dbraw/zinc/94/49/70/983944970.db2.gz MIWMFKASNNANMA-VIFPVBQESA-N -1 0 341.385 2.915 20 30 EFEDRM C=C[C@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)[O-] ZINC001588714761 983952782 /nfs/dbraw/zinc/95/27/82/983952782.db2.gz MXCRQMYHJWTQBM-ZDUSSCGKSA-N -1 0 326.381 2.606 20 30 EFEDRM C=C[C@H](Sc1nnc(NCc2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588715350 983954943 /nfs/dbraw/zinc/95/49/43/983954943.db2.gz WNHDZUFDIACXKS-NSHDSACASA-N -1 0 337.426 2.890 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588718432 983956408 /nfs/dbraw/zinc/95/64/08/983956408.db2.gz BOZZUFLZDWEMKS-CYBMUJFWSA-N -1 0 341.371 2.538 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588719317 983959705 /nfs/dbraw/zinc/95/97/05/983959705.db2.gz OZVVZPVXIUBUNA-YRTQGLMCSA-N -1 0 338.473 2.866 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001588719241 983959940 /nfs/dbraw/zinc/95/99/40/983959940.db2.gz OAGDSSHFPFJTRA-QWRGUYRKSA-N -1 0 335.429 2.905 20 30 EFEDRM C=C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588719592 983961596 /nfs/dbraw/zinc/96/15/96/983961596.db2.gz WGESCFNOQCYBQT-NSHDSACASA-N -1 0 334.441 2.914 20 30 EFEDRM C=CC[C@@H](C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC001588720682 983969179 /nfs/dbraw/zinc/96/91/79/983969179.db2.gz DPNXCWRYLWKWLW-QZTJIDSGSA-N -1 0 338.407 2.801 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001588732289 984016767 /nfs/dbraw/zinc/01/67/67/984016767.db2.gz YSMUFUFRLFMLKO-KGLIPLIRSA-N -1 0 345.317 2.988 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC001588732291 984017069 /nfs/dbraw/zinc/01/70/69/984017069.db2.gz YSMUFUFRLFMLKO-ZIAGYGMSSA-N -1 0 345.317 2.988 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588735815 984020766 /nfs/dbraw/zinc/02/07/66/984020766.db2.gz MIRCLUAGLXQNII-QMMMGPOBSA-N -1 0 335.784 2.810 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588736115 984023575 /nfs/dbraw/zinc/02/35/75/984023575.db2.gz SPTVBJYJLGHDOY-CYBMUJFWSA-N -1 0 348.399 2.581 20 30 EFEDRM C=CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC001588736792 984027541 /nfs/dbraw/zinc/02/75/41/984027541.db2.gz UVYRTPRDLINEKY-NEPJUHHUSA-N -1 0 341.404 2.595 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588736926 984028166 /nfs/dbraw/zinc/02/81/66/984028166.db2.gz ZSVGTAWGZNMYTC-LLVKDONJSA-N -1 0 337.445 2.943 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588737465 984029135 /nfs/dbraw/zinc/02/91/35/984029135.db2.gz LAIJSHWFEBLYIN-LBPRGKRZSA-N -1 0 338.429 2.560 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001588737636 984029727 /nfs/dbraw/zinc/02/97/27/984029727.db2.gz PIZBYTHDWOETSC-LJQANCHMSA-N -1 0 341.411 2.764 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001588743095 984036128 /nfs/dbraw/zinc/03/61/28/984036128.db2.gz RFPONHYRTGFXEX-LBPRGKRZSA-N -1 0 326.343 2.988 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588743688 984039541 /nfs/dbraw/zinc/03/95/41/984039541.db2.gz BOQZNNOXCPOUHZ-DRMAHVMPSA-N -1 0 328.412 2.726 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001588743871 984039927 /nfs/dbraw/zinc/03/99/27/984039927.db2.gz DTPWYKPONIVSIJ-ZDUSSCGKSA-N -1 0 345.424 2.828 20 30 EFEDRM C=CC[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001588749029 984062846 /nfs/dbraw/zinc/06/28/46/984062846.db2.gz CSWKZNYOXPKDHZ-OAHLLOKOSA-N -1 0 328.368 2.530 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cnc(Br)c(Cl)c1)C(=O)[O-] ZINC001588758465 984106009 /nfs/dbraw/zinc/10/60/09/984106009.db2.gz GSJHZGHRWGNZKQ-MRVPVSSYSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nc(C(C)C)ncc1Br)C(=O)[O-] ZINC001588759333 984110592 /nfs/dbraw/zinc/11/05/92/984110592.db2.gz RSUGOZTWWKSLTK-SECBINFHSA-N -1 0 343.177 2.549 20 30 EFEDRM C=CC[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)[O-] ZINC001588762799 984117328 /nfs/dbraw/zinc/11/73/28/984117328.db2.gz MYDBMARWFAULJH-NWDGAFQWSA-N -1 0 334.353 2.704 20 30 EFEDRM C=CC[C@@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588763305 984119279 /nfs/dbraw/zinc/11/92/79/984119279.db2.gz SUETVQKNBDYDRF-JKSUJKDBSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCC1(COC(=O)c2cccc(OCC(=O)[O-])c2)CCOCC1 ZINC001588767116 984128361 /nfs/dbraw/zinc/12/83/61/984128361.db2.gz KAZSFVNVXLYLTD-UHFFFAOYSA-N -1 0 334.368 2.680 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CCCC1 ZINC001588767348 984130093 /nfs/dbraw/zinc/13/00/93/984130093.db2.gz WQRIHZXIHOGOMX-UHFFFAOYSA-N -1 0 348.374 2.776 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC001588768990 984131792 /nfs/dbraw/zinc/13/17/92/984131792.db2.gz JAPWSLIUYHNYNV-UHFFFAOYSA-N -1 0 337.441 2.871 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)CCCCC1 ZINC001588769559 984134015 /nfs/dbraw/zinc/13/40/15/984134015.db2.gz YPNWNKOTQJOEKC-UHFFFAOYSA-N -1 0 327.402 2.844 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588770974 984136764 /nfs/dbraw/zinc/13/67/64/984136764.db2.gz KTTJBMXNYQMYOZ-UKRRQHHQSA-N -1 0 343.427 2.982 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588771059 984137511 /nfs/dbraw/zinc/13/75/11/984137511.db2.gz MZSWDIFKBJEHGG-RISCZKNCSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588771009 984137578 /nfs/dbraw/zinc/13/75/78/984137578.db2.gz LENBFUZKPMJOEP-TZMCWYRMSA-N -1 0 334.420 2.959 20 30 EFEDRM C=CC[C@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)C1 ZINC001588772194 984141170 /nfs/dbraw/zinc/14/11/70/984141170.db2.gz ACFQQMNQYNPYME-ZDUSSCGKSA-N -1 0 332.400 2.544 20 30 EFEDRM C=CC[C@@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)C1 ZINC001588772193 984141242 /nfs/dbraw/zinc/14/12/42/984141242.db2.gz ACFQQMNQYNPYME-CYBMUJFWSA-N -1 0 332.400 2.544 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001588772598 984143658 /nfs/dbraw/zinc/14/36/58/984143658.db2.gz JLCKMNWXYPWBEF-VIFPVBQESA-N -1 0 333.793 2.608 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001588772929 984145861 /nfs/dbraw/zinc/14/58/61/984145861.db2.gz QVBLFCFDEDAEGO-JTQLQIEISA-N -1 0 329.805 2.625 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1(C)C ZINC001588773676 984148637 /nfs/dbraw/zinc/14/86/37/984148637.db2.gz FFFAEFQITIGNPL-GFCCVEGCSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588776984 984154415 /nfs/dbraw/zinc/15/44/15/984154415.db2.gz POVLFEOKUZVTGX-FVRSWCFKSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001588779036 984164040 /nfs/dbraw/zinc/16/40/40/984164040.db2.gz QWMNVUDDTDAKBK-AWEZNQCLSA-N -1 0 328.372 2.947 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001588782645 984173998 /nfs/dbraw/zinc/17/39/98/984173998.db2.gz XQDPWEKNRUMBCX-GFCCVEGCSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588782643 984174046 /nfs/dbraw/zinc/17/40/46/984174046.db2.gz XONUAKPTXVXXKC-LLVKDONJSA-N -1 0 329.443 2.874 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](CC)Nc1cccnc1Cl)C(=O)[O-] ZINC001588784925 984178335 /nfs/dbraw/zinc/17/83/35/984178335.db2.gz DEOQRDCSWOXGDJ-YPMHNXCESA-N -1 0 339.823 2.851 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588786280 984183916 /nfs/dbraw/zinc/18/39/16/984183916.db2.gz OUQKGMXHBFDTQP-LLVKDONJSA-N -1 0 329.393 2.855 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787638 984187822 /nfs/dbraw/zinc/18/78/22/984187822.db2.gz WZZJEEJETGVAFP-STQMWFEESA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1cc(Cl)cc2c1OCC2)C(=O)[O-] ZINC001588788594 984191151 /nfs/dbraw/zinc/19/11/51/984191151.db2.gz IAVGKMIPMMIIGQ-CQSZACIVSA-N -1 0 337.803 2.743 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@H](C)C(=O)c1cccc(F)c1)C(=O)[O-] ZINC001588789497 984198436 /nfs/dbraw/zinc/19/84/36/984198436.db2.gz CSKVFROGOKZNRQ-WFASDCNBSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)C(=O)[O-] ZINC001588789494 984198456 /nfs/dbraw/zinc/19/84/56/984198456.db2.gz CSKVFROGOKZNRQ-IUODEOHRSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC001588792319 984207965 /nfs/dbraw/zinc/20/79/65/984207965.db2.gz CWYKJEKZONUELQ-GFCCVEGCSA-N -1 0 346.383 2.724 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)NC(C)C)cc1)C(=O)[O-] ZINC001588793149 984216340 /nfs/dbraw/zinc/21/63/40/984216340.db2.gz LNUMOYUBYOHYBG-HNNXBMFYSA-N -1 0 347.415 2.756 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(Nc2cnccn2)c1)C(=O)[O-] ZINC001588793361 984218341 /nfs/dbraw/zinc/21/83/41/984218341.db2.gz PNMPDEUAAFISQF-HNNXBMFYSA-N -1 0 340.383 2.760 20 30 EFEDRM CCNC(=O)c1cccc(C)c1OCc1cccc(C(=O)[O-])c1C#N ZINC001596485501 984220585 /nfs/dbraw/zinc/22/05/85/984220585.db2.gz DYDLPMOLGDFRBR-UHFFFAOYSA-N -1 0 338.363 2.894 20 30 EFEDRM C=CCCC[C@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1ccccc1 ZINC001588794017 984223840 /nfs/dbraw/zinc/22/38/40/984223840.db2.gz IQHVKPYCVCDNSY-IXDOHACOSA-N -1 0 346.427 2.873 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(OC)cnc2ccccc21)C(=O)[O-] ZINC001588794162 984224877 /nfs/dbraw/zinc/22/48/77/984224877.db2.gz MZHRITRXDWQWOB-AWEZNQCLSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)onc1-c1cccnc1)C(=O)[O-] ZINC001588794361 984226249 /nfs/dbraw/zinc/22/62/49/984226249.db2.gz RRUNYDWLUNKCNQ-ZDUSSCGKSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)[O-] ZINC001588797376 984229328 /nfs/dbraw/zinc/22/93/28/984229328.db2.gz DGRHJOIWFHACIR-CYBMUJFWSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)C(=O)[O-] ZINC001588797694 984230398 /nfs/dbraw/zinc/23/03/98/984230398.db2.gz JOIVAQAFOGRPTH-HNNXBMFYSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncccc1NCC1CCC1)C(=O)[O-] ZINC001588797960 984232136 /nfs/dbraw/zinc/23/21/36/984232136.db2.gz PTZOPTOHZNNMLU-HNNXBMFYSA-N -1 0 331.416 2.833 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001588797919 984232425 /nfs/dbraw/zinc/23/24/25/984232425.db2.gz NVUXUKKNBYRZOQ-HIFRSBDPSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588798295 984234955 /nfs/dbraw/zinc/23/49/55/984234955.db2.gz ALOZCDFRMXXZQD-LBPRGKRZSA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001588801695 984246779 /nfs/dbraw/zinc/24/67/79/984246779.db2.gz USHCKFQDNBJFSM-UHFFFAOYSA-N -1 0 338.791 2.791 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001588807212 984257902 /nfs/dbraw/zinc/25/79/02/984257902.db2.gz CHKJLTNWEJWCLL-UHFFFAOYSA-N -1 0 344.371 2.660 20 30 EFEDRM C=CCCOCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001588813245 984269134 /nfs/dbraw/zinc/26/91/34/984269134.db2.gz KTTGTPCNKDYLFW-UHFFFAOYSA-N -1 0 329.356 2.647 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)Oc2cccnc2C(=O)[O-])cc1 ZINC001588814718 984272581 /nfs/dbraw/zinc/27/25/81/984272581.db2.gz NDINLNNSUNZYDQ-UHFFFAOYSA-N -1 0 333.365 2.666 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001588814919 984273941 /nfs/dbraw/zinc/27/39/41/984273941.db2.gz YMRMBQXRMTXJNT-OAHLLOKOSA-N -1 0 337.441 2.584 20 30 EFEDRM C=CCN(C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)C(C)C ZINC001588820815 984286868 /nfs/dbraw/zinc/28/68/68/984286868.db2.gz UGDJWICAMJHLOT-UHFFFAOYSA-N -1 0 334.372 2.974 20 30 EFEDRM C=CCN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588822279 984288656 /nfs/dbraw/zinc/28/86/56/984288656.db2.gz DNGAINGYCWEZKX-UHFFFAOYSA-N -1 0 331.141 2.936 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588823961 984294904 /nfs/dbraw/zinc/29/49/04/984294904.db2.gz HKNIRJWTAKIKRG-UHFFFAOYSA-N -1 0 333.768 2.516 20 30 EFEDRM C=CCN(CCC#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588826791 984306650 /nfs/dbraw/zinc/30/66/50/984306650.db2.gz XBAVAXZHIRVNIN-UHFFFAOYSA-N -1 0 344.392 2.628 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001588832803 984326848 /nfs/dbraw/zinc/32/68/48/984326848.db2.gz RFIJWJDBJDNDJF-UHFFFAOYSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(OCC)c(F)c2)C(C(=O)[O-])=C1C ZINC001588836889 984330970 /nfs/dbraw/zinc/33/09/70/984330970.db2.gz MAJFIXXYZWRXCQ-OAHLLOKOSA-N -1 0 334.347 2.835 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001588844137 984356075 /nfs/dbraw/zinc/35/60/75/984356075.db2.gz QYXBRKRKDOCDBH-UHFFFAOYSA-N -1 0 347.415 2.757 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588845287 984361672 /nfs/dbraw/zinc/36/16/72/984361672.db2.gz BXXWGELOJAWERL-CSKARUKUSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCNC(=O)c1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001588845368 984362082 /nfs/dbraw/zinc/36/20/82/984362082.db2.gz JKHMUAJDFCDTQG-KTKRTIGZSA-N -1 0 326.352 2.905 20 30 EFEDRM C=CCNC(=O)c1ccc(NCc2cc(C(=O)[O-])c(CC)[nH]2)cc1 ZINC001588845345 984362257 /nfs/dbraw/zinc/36/22/57/984362257.db2.gz HWPGOTWSYSBHIB-UHFFFAOYSA-N -1 0 327.384 2.803 20 30 EFEDRM C=CCNc1ncc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])s1 ZINC001588849337 984370253 /nfs/dbraw/zinc/37/02/53/984370253.db2.gz LIYQNWPLAPUBLX-LBPRGKRZSA-N -1 0 337.445 2.752 20 30 EFEDRM C=CCO[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001588850153 984379022 /nfs/dbraw/zinc/37/90/22/984379022.db2.gz ZXCTXQKGCGNWEQ-VIFPVBQESA-N -1 0 326.736 2.728 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588850903 984381150 /nfs/dbraw/zinc/38/11/50/984381150.db2.gz KARSAMGWTCPYKX-GFCCVEGCSA-N -1 0 343.782 2.529 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588853633 984384829 /nfs/dbraw/zinc/38/48/29/984384829.db2.gz CXZFOJDEOWPAIT-SCOBNMCVSA-N -1 0 344.194 2.779 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588853825 984386103 /nfs/dbraw/zinc/38/61/03/984386103.db2.gz JHUJHHJAHRQPAW-SECOEOQKSA-N -1 0 343.354 2.764 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588855471 984393013 /nfs/dbraw/zinc/39/30/13/984393013.db2.gz HVKSAQKVVOHYQY-DLBZAZTESA-N -1 0 346.427 2.518 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001588859242 984404532 /nfs/dbraw/zinc/40/45/32/984404532.db2.gz FGLFYICBAGUOMF-SNVBAGLBSA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(=O)[O-] ZINC001588859627 984407050 /nfs/dbraw/zinc/40/70/50/984407050.db2.gz RRMPBOYVQQOTEW-HNNXBMFYSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001588859730 984408117 /nfs/dbraw/zinc/40/81/17/984408117.db2.gz VGXLNROHGPJFML-OAHLLOKOSA-N -1 0 348.786 2.721 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC001588860194 984411173 /nfs/dbraw/zinc/41/11/73/984411173.db2.gz LYTGHEKYLSTYIX-CQSZACIVSA-N -1 0 331.393 2.801 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001588861351 984415016 /nfs/dbraw/zinc/41/50/16/984415016.db2.gz FZPGAHYTNTVCGT-KRWDZBQOSA-N -1 0 341.363 2.865 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC001588861723 984416535 /nfs/dbraw/zinc/41/65/35/984416535.db2.gz LADDSLWVSSMKIB-SFHVURJKSA-N -1 0 339.391 2.663 20 30 EFEDRM C=CCOCCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588866264 984424103 /nfs/dbraw/zinc/42/41/03/984424103.db2.gz CVCSWOFTQRWKBX-UHFFFAOYSA-N -1 0 330.743 2.892 20 30 EFEDRM C=CCOCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588868901 984436358 /nfs/dbraw/zinc/43/63/58/984436358.db2.gz FOVNVSOVALKAKN-UHFFFAOYSA-N -1 0 346.427 2.552 20 30 EFEDRM C=CCOc1ccc(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001588873479 984444165 /nfs/dbraw/zinc/44/41/65/984444165.db2.gz BJCSTYVMYQTBPA-SFHVURJKSA-N -1 0 339.391 2.779 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001588873733 984445258 /nfs/dbraw/zinc/44/52/58/984445258.db2.gz JTHGLRBFRFKTFQ-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(CC(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001588873778 984445792 /nfs/dbraw/zinc/44/57/92/984445792.db2.gz LQMFIYBWGFLJSW-UHFFFAOYSA-N -1 0 326.352 2.834 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001588873991 984447051 /nfs/dbraw/zinc/44/70/51/984447051.db2.gz QKEMNUWCQVKQTG-UHFFFAOYSA-N -1 0 331.412 2.945 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001588877232 984452160 /nfs/dbraw/zinc/45/21/60/984452160.db2.gz DRSPBWNQBUPVDZ-CQSZACIVSA-N -1 0 332.400 2.800 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)OCC1CC1 ZINC001588882374 984462597 /nfs/dbraw/zinc/46/25/97/984462597.db2.gz PQVNXWSPTCOTBH-NSHDSACASA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCCN1C(C)C ZINC001588882483 984463434 /nfs/dbraw/zinc/46/34/34/984463434.db2.gz VWTYIPPRTRSAQP-HNNXBMFYSA-N -1 0 347.411 2.900 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001588884896 984464588 /nfs/dbraw/zinc/46/45/88/984464588.db2.gz GWQQQYLSLUTHLJ-ZBFHGGJFSA-N -1 0 346.379 2.842 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccc(F)cn1 ZINC001588885390 984467720 /nfs/dbraw/zinc/46/77/20/984467720.db2.gz QBHRXWUFUAVNMP-UHFFFAOYSA-N -1 0 345.326 2.804 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2ncc(C(=O)[O-])s2)c(OC)c1 ZINC001588886210 984471072 /nfs/dbraw/zinc/47/10/72/984471072.db2.gz FOFLEGVQNAFFMA-UHFFFAOYSA-N -1 0 348.380 2.596 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588889371 984478843 /nfs/dbraw/zinc/47/88/43/984478843.db2.gz RXMYQHQPODNQAB-CZUORRHYSA-N -1 0 340.427 2.850 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588889425 984479534 /nfs/dbraw/zinc/47/95/34/984479534.db2.gz UQVVWAJNHOJBDQ-LJQANCHMSA-N -1 0 340.427 2.995 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588889424 984479659 /nfs/dbraw/zinc/47/96/59/984479659.db2.gz UQVVWAJNHOJBDQ-IBGZPJMESA-N -1 0 340.427 2.995 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588890067 984483545 /nfs/dbraw/zinc/48/35/45/984483545.db2.gz NCOGUUMBHFURDE-LBPRGKRZSA-N -1 0 330.363 2.571 20 30 EFEDRM C=CCn1c(-c2coc(C)c2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588890283 984485401 /nfs/dbraw/zinc/48/54/01/984485401.db2.gz WLSGGOVTSQSUOD-DGCLKSJQSA-N -1 0 330.388 2.580 20 30 EFEDRM C=CCn1c([C@H](C)c2ccsc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588897365 984509771 /nfs/dbraw/zinc/50/97/71/984509771.db2.gz YIDILBMTXICQHD-SJKOYZFVSA-N -1 0 346.456 2.978 20 30 EFEDRM C=CCn1c(CC2CC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588897561 984511650 /nfs/dbraw/zinc/51/16/50/984511650.db2.gz LMMIDUDRZQBITD-AWEZNQCLSA-N -1 0 332.448 2.744 20 30 EFEDRM C=CCn1c(COC2CCC2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588901373 984524167 /nfs/dbraw/zinc/52/41/67/984524167.db2.gz VJFZMRYBOURJRK-CQSZACIVSA-N -1 0 348.447 2.614 20 30 EFEDRM C=CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1[C@]1(C)CCCO1 ZINC001588904329 984528809 /nfs/dbraw/zinc/52/88/09/984528809.db2.gz OKJGUWLVAKEMNL-SFHVURJKSA-N -1 0 348.447 2.571 20 30 EFEDRM C=CCn1c(S[C@@H](C=C)C(=O)[O-])nnc1-c1ccccc1OC ZINC001588905506 984536912 /nfs/dbraw/zinc/53/69/12/984536912.db2.gz XEKWDUZRJHZLAQ-ZDUSSCGKSA-N -1 0 331.397 2.871 20 30 EFEDRM C=CCn1c(SCC(=O)C(C)(C)C(=O)[O-])nnc1-c1ccccc1 ZINC001588907146 984538152 /nfs/dbraw/zinc/53/81/52/984538152.db2.gz CVYFBTHFBDHUCM-UHFFFAOYSA-N -1 0 345.424 2.903 20 30 EFEDRM C=CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588910343 984548550 /nfs/dbraw/zinc/54/85/50/984548550.db2.gz RRMIAOZZRKRMCK-CQSZACIVSA-N -1 0 346.387 2.552 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@H](CC3CC3)C(=O)[O-])cc21 ZINC001588912620 984552360 /nfs/dbraw/zinc/55/23/60/984552360.db2.gz LFWFDFYTJVLHGZ-AWEZNQCLSA-N -1 0 342.399 2.845 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588916234 984558910 /nfs/dbraw/zinc/55/89/10/984558910.db2.gz BEHVLRHMHPDWOV-PQIIZBDJSA-N -1 0 329.396 2.571 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001588918057 984569223 /nfs/dbraw/zinc/56/92/23/984569223.db2.gz ULMFZILVTSYTMH-KWQFWETISA-N -1 0 326.736 2.949 20 30 EFEDRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001599890398 984687131 /nfs/dbraw/zinc/68/71/31/984687131.db2.gz OBKMDIVNXFODOE-LLVKDONJSA-N -1 0 326.308 2.766 20 30 EFEDRM CCOC(=O)Nc1ccc(NCc2c[nH]c(C(=O)[O-])c2)cc1C#N ZINC001596666212 984730606 /nfs/dbraw/zinc/73/06/06/984730606.db2.gz FZRFUBMDLQHUBC-UHFFFAOYSA-N -1 0 328.328 2.765 20 30 EFEDRM CCOC(=O)Nc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1C#N ZINC001596667240 984733392 /nfs/dbraw/zinc/73/33/92/984733392.db2.gz VGYUUISGTSHMPQ-UHFFFAOYSA-N -1 0 342.355 2.775 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC001589016786 984997472 /nfs/dbraw/zinc/99/74/72/984997472.db2.gz IEIUMMJVGNLXKN-UHFFFAOYSA-N -1 0 344.820 2.651 20 30 EFEDRM CC(=NO[C@H]1CCCN(CCC(=O)[O-])C1=O)c1cc2ccccc2o1 ZINC001589017451 985003641 /nfs/dbraw/zinc/00/36/41/985003641.db2.gz QGYKWMMLISFEFX-HNNXBMFYSA-N -1 0 344.367 2.639 20 30 EFEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001589017586 985005387 /nfs/dbraw/zinc/00/53/87/985005387.db2.gz VPYIDNRJLPCMMD-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CC(=NOCCc1scnc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589021099 985010197 /nfs/dbraw/zinc/01/01/97/985010197.db2.gz KHDFMOINGFREMZ-UHFFFAOYSA-N -1 0 334.397 2.898 20 30 EFEDRM CC(=O)N(c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1)C1CC1 ZINC001589051322 985137577 /nfs/dbraw/zinc/13/75/77/985137577.db2.gz FKTYWKNSTGQXJM-UHFFFAOYSA-N -1 0 336.351 2.910 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001599942339 985470662 /nfs/dbraw/zinc/47/06/62/985470662.db2.gz FYBJEZROZIPJFL-UHFFFAOYSA-N -1 0 327.340 2.933 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001599942335 985470722 /nfs/dbraw/zinc/47/07/22/985470722.db2.gz FVCZPEONIGEAQI-CZUORRHYSA-N -1 0 329.400 2.690 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942918 985477975 /nfs/dbraw/zinc/47/79/75/985477975.db2.gz WPGOITRAGWGMLC-ZDUSSCGKSA-N -1 0 339.395 2.905 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001589262275 985927801 /nfs/dbraw/zinc/92/78/01/985927801.db2.gz UXWXQAPMWPLCML-CYBMUJFWSA-N -1 0 339.351 2.942 20 30 EFEDRM CC(=O)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001589279837 986005728 /nfs/dbraw/zinc/00/57/28/986005728.db2.gz YTIPTKVEYDUBKQ-UHFFFAOYSA-N -1 0 329.333 2.878 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NCc2cccc(C(=O)[O-])c2)n1 ZINC001596952610 986125343 /nfs/dbraw/zinc/12/53/43/986125343.db2.gz VFHANDPGJXFWKV-UHFFFAOYSA-N -1 0 334.763 2.811 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001589329045 986159822 /nfs/dbraw/zinc/15/98/22/986159822.db2.gz IANUJECKMZYYIV-SECBINFHSA-N -1 0 341.314 2.652 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[C@@H](C(F)(F)F)O1 ZINC001594542908 986191624 /nfs/dbraw/zinc/19/16/24/986191624.db2.gz VOJIXULNSBMHLN-YGRLFVJLSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001589334568 986203619 /nfs/dbraw/zinc/20/36/19/986203619.db2.gz GSQPJNUFGSVGAW-QWHCGFSZSA-N -1 0 343.383 2.696 20 30 EFEDRM Cc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cnn1CCC#N ZINC001599984154 986206945 /nfs/dbraw/zinc/20/69/45/986206945.db2.gz POXBZJULDHJKTB-LLVKDONJSA-N -1 0 326.356 2.546 20 30 EFEDRM Cc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cnn1CCC#N ZINC001599984155 986207023 /nfs/dbraw/zinc/20/70/23/986207023.db2.gz POXBZJULDHJKTB-NSHDSACASA-N -1 0 326.356 2.546 20 30 EFEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c2ccccc21 ZINC001594555431 986285714 /nfs/dbraw/zinc/28/57/14/986285714.db2.gz WLGCBMQQTOFWAX-LLVKDONJSA-N -1 0 342.376 2.569 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCCC#N ZINC001594561191 986313916 /nfs/dbraw/zinc/31/39/16/986313916.db2.gz CXDJMBKDFSNHPS-AWEZNQCLSA-N -1 0 329.400 2.506 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCCCC#N ZINC001594561671 986322239 /nfs/dbraw/zinc/32/22/39/986322239.db2.gz HQAUZWLYWZWBJC-HNNXBMFYSA-N -1 0 343.427 2.896 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC001594566872 986355434 /nfs/dbraw/zinc/35/54/34/986355434.db2.gz DFFYWUIPVBTERA-AWEZNQCLSA-N -1 0 349.390 2.607 20 30 EFEDRM CCOc1ccc(C=NOCc2nc(C(=O)[O-])cs2)cc1OC ZINC001597082291 986634629 /nfs/dbraw/zinc/63/46/29/986634629.db2.gz GLXNMFDMYVCDPZ-UHFFFAOYSA-N -1 0 336.369 2.799 20 30 EFEDRM CCOc1ccc(NC(=O)N2CCC[C@H](C#N)C2)c(C(=O)[O-])c1F ZINC001597118843 986802606 /nfs/dbraw/zinc/80/26/06/986802606.db2.gz KKUZBAJEZJJACN-SNVBAGLBSA-N -1 0 335.335 2.690 20 30 EFEDRM CCOc1ccc(NN=Cc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001597126202 986837090 /nfs/dbraw/zinc/83/70/90/986837090.db2.gz YHDBEJOQAJXIHV-UHFFFAOYSA-N -1 0 330.388 2.819 20 30 EFEDRM CC[C@H](C#N)N(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594725101 987226532 /nfs/dbraw/zinc/22/65/32/987226532.db2.gz LEGHINUGZKMMAD-SECBINFHSA-N -1 0 338.410 2.522 20 30 EFEDRM CC(C)(C#N)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589553474 987289646 /nfs/dbraw/zinc/28/96/46/987289646.db2.gz ASRURRAOLAMHMU-UHFFFAOYSA-N -1 0 329.381 2.920 20 30 EFEDRM CCc1[nH]c(C(=O)N(C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001597354990 987499988 /nfs/dbraw/zinc/49/99/88/987499988.db2.gz VWXNXGYBMWJOSZ-UHFFFAOYSA-N -1 0 325.368 2.728 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c(C)c1C(=O)[O-] ZINC001597373846 987559460 /nfs/dbraw/zinc/55/94/60/987559460.db2.gz ARKKYGPPXHPDMC-UHFFFAOYSA-N -1 0 343.387 2.659 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CCC(O)CC1 ZINC001589680748 987706404 /nfs/dbraw/zinc/70/64/04/987706404.db2.gz DHZBIRNBIHJFNR-UHFFFAOYSA-N -1 0 345.395 2.877 20 30 EFEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ncccc1OCCCC#N ZINC001589702334 987798507 /nfs/dbraw/zinc/79/85/07/987798507.db2.gz CKZCHOHEFOEFIK-CYBMUJFWSA-N -1 0 348.403 2.775 20 30 EFEDRM CC(C)(C)C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001589751121 988050429 /nfs/dbraw/zinc/05/04/29/988050429.db2.gz JJIRBIWRONVYPV-CYBMUJFWSA-N -1 0 327.384 2.784 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001597508195 988085050 /nfs/dbraw/zinc/08/50/50/988085050.db2.gz GISFODFJTYGHSK-INIZCTEOSA-N -1 0 325.368 2.623 20 30 EFEDRM CC(C)(C)OC(=O)C(C)(C)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001589842948 988335916 /nfs/dbraw/zinc/33/59/16/988335916.db2.gz GWQQUMHGPLDSJW-UHFFFAOYSA-N -1 0 346.379 2.647 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)C1CCC1 ZINC001589844013 988353216 /nfs/dbraw/zinc/35/32/16/988353216.db2.gz KNRHOGSICQQKPP-LBPRGKRZSA-N -1 0 345.399 2.821 20 30 EFEDRM CCc1cccc(C)c1NC(=S)NN=Cc1cc(C(=O)[O-])no1 ZINC001597581018 988385045 /nfs/dbraw/zinc/38/50/45/988385045.db2.gz LWAMKZSBIQCIJV-UHFFFAOYSA-N -1 0 332.385 2.564 20 30 EFEDRM CCc1nnc(NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C#N)c1CC ZINC001597734738 989070353 /nfs/dbraw/zinc/07/03/53/989070353.db2.gz GFYQMVUYANLCHZ-OAHLLOKOSA-N -1 0 342.374 2.892 20 30 EFEDRM CCc1oc(C=NNC(=S)Nc2ccccc2F)cc1C(=O)[O-] ZINC001597792607 989333044 /nfs/dbraw/zinc/33/30/44/989333044.db2.gz AXWFWMMMJNWIFI-UHFFFAOYSA-N -1 0 335.360 3.000 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC001599880394 989476163 /nfs/dbraw/zinc/47/61/63/989476163.db2.gz LQVAFCBVEDUJBC-YJYMSZOUSA-N -1 0 334.375 2.779 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001599882913 989508845 /nfs/dbraw/zinc/50/88/45/989508845.db2.gz KHUXSNAPSSUCPZ-SFHVURJKSA-N -1 0 326.396 2.836 20 30 EFEDRM CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597839409 989529740 /nfs/dbraw/zinc/52/97/40/989529740.db2.gz ADRFWNNUOVKIMA-KGLIPLIRSA-N -1 0 333.436 2.786 20 30 EFEDRM CCn1c(CC(C)(C)C#N)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597850525 989590088 /nfs/dbraw/zinc/59/00/88/989590088.db2.gz OEHPHQRRMSCXNB-UHFFFAOYSA-N -1 0 341.415 2.725 20 30 EFEDRM CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C(C#N)(CC)CC ZINC001597859467 989627121 /nfs/dbraw/zinc/62/71/21/989627121.db2.gz TUGVZELDXXBHMD-UHFFFAOYSA-N -1 0 347.463 2.961 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001597860358 989634629 /nfs/dbraw/zinc/63/46/29/989634629.db2.gz PEQKFRTVRKMHSZ-JOCQHMNTSA-N -1 0 340.383 2.757 20 30 EFEDRM CCn1cc(C(=O)/C=C\c2cc(C)c(OCC(=O)[O-])c(C)c2)cn1 ZINC001597876178 989689401 /nfs/dbraw/zinc/68/94/01/989689401.db2.gz UIKMBFDESWKUQV-WAYWQWQTSA-N -1 0 328.368 2.879 20 30 EFEDRM CC(C)(C)Sc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccn1 ZINC001590429868 989988273 /nfs/dbraw/zinc/98/82/73/989988273.db2.gz LZLHOWXPOKUASB-UHFFFAOYSA-N -1 0 347.440 2.803 20 30 EFEDRM CN(C(=O)CCCn1ccc(C(=O)[O-])n1)c1cc(Cl)ccc1C#N ZINC001598013234 990190902 /nfs/dbraw/zinc/19/09/02/990190902.db2.gz ZAKMKKOYJQRWSP-UHFFFAOYSA-N -1 0 346.774 2.550 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001590586910 990232252 /nfs/dbraw/zinc/23/22/52/990232252.db2.gz ACRVPIUNZLLMRL-UHFFFAOYSA-N -1 0 325.368 2.994 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001590587021 990233006 /nfs/dbraw/zinc/23/30/06/990233006.db2.gz DLSHJJDTIHTNNU-CYBMUJFWSA-N -1 0 332.404 2.737 20 30 EFEDRM CN(C(=O)COc1cc(Cl)ccc1C#N)c1ccccc1C(=O)[O-] ZINC001598031438 990250197 /nfs/dbraw/zinc/25/01/97/990250197.db2.gz JKOOFHXOQALSSW-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CC(C)(CC#N)COC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001590615289 990289259 /nfs/dbraw/zinc/28/92/59/990289259.db2.gz QOSFSLFNQGPMGM-UHFFFAOYSA-N -1 0 327.340 2.667 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001590654575 990348218 /nfs/dbraw/zinc/34/82/18/990348218.db2.gz QGDOILXRUFGUCI-UHFFFAOYSA-N -1 0 345.399 2.619 20 30 EFEDRM CC(C)(CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001590734187 990526701 /nfs/dbraw/zinc/52/67/01/990526701.db2.gz CDTDLHXORISEKY-UHFFFAOYSA-N -1 0 345.277 2.689 20 30 EFEDRM CC(C)C#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001590926895 990927921 /nfs/dbraw/zinc/92/79/21/990927921.db2.gz KUPYNOFVRPONJM-ZDUSSCGKSA-N -1 0 343.301 2.877 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN([C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001590954598 991024111 /nfs/dbraw/zinc/02/41/11/991024111.db2.gz ZEZYWEXHUHOSCW-CVEARBPZSA-N -1 0 335.835 2.631 20 30 EFEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590961143 991055461 /nfs/dbraw/zinc/05/54/61/991055461.db2.gz LZOLXAPDQYWSTQ-HNNXBMFYSA-N -1 0 341.770 2.644 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590961144 991055834 /nfs/dbraw/zinc/05/58/34/991055834.db2.gz LZOLXAPDQYWSTQ-OAHLLOKOSA-N -1 0 341.770 2.644 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001598287253 991187208 /nfs/dbraw/zinc/18/72/08/991187208.db2.gz FKHJDDIPTQFPDW-KRWDZBQOSA-N -1 0 343.427 2.635 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccccc1C#N ZINC001598293887 991212777 /nfs/dbraw/zinc/21/27/77/991212777.db2.gz UDOZYZFLVMNWRX-NTMALXAHSA-N -1 0 335.363 2.974 20 30 EFEDRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590994291 991219238 /nfs/dbraw/zinc/21/92/38/991219238.db2.gz ZWDFTBFRUXEZGV-INIZCTEOSA-N -1 0 328.412 2.718 20 30 EFEDRM COc1ccccc1C[C@@H](CNc1nccc(C)c1C#N)C(=O)[O-] ZINC001599710150 991357682 /nfs/dbraw/zinc/35/76/82/991357682.db2.gz JXEAMLSWRZHNSM-AWEZNQCLSA-N -1 0 325.368 2.626 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591051647 991451249 /nfs/dbraw/zinc/45/12/49/991451249.db2.gz FZRZHMZQYQEIDX-MRXNPFEDSA-N -1 0 339.351 2.694 20 30 EFEDRM COc1ccnc(N=NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC001599722867 991569505 /nfs/dbraw/zinc/56/95/05/991569505.db2.gz WIGBTSWLQMENMM-UHFFFAOYSA-N -1 0 338.323 2.889 20 30 EFEDRM COc1nc2sccn2c1C=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599732181 991723287 /nfs/dbraw/zinc/72/32/87/991723287.db2.gz QBYVKRBEZAFZGJ-UHFFFAOYSA-N -1 0 330.369 2.857 20 30 EFEDRM CC(C)C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001591190950 991998065 /nfs/dbraw/zinc/99/80/65/991998065.db2.gz GSMCCALIPVSRDG-SNVBAGLBSA-N -1 0 330.262 2.628 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC001599770751 992241687 /nfs/dbraw/zinc/24/16/87/992241687.db2.gz WORUKQZHHWBRDT-DAXSKMNVSA-N -1 0 336.390 2.746 20 30 EFEDRM CC(C)CN(CCC(=O)[O-])c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001591339637 992318280 /nfs/dbraw/zinc/31/82/80/992318280.db2.gz PANVLBKUXNJHDK-UHFFFAOYSA-N -1 0 342.355 2.952 20 30 EFEDRM CC(C)COc1ccc(C(C)(C)C(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001591396719 992459848 /nfs/dbraw/zinc/45/98/48/992459848.db2.gz MVCYAZOUOLZHRA-UHFFFAOYSA-N -1 0 346.427 2.826 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC001591428554 992517632 /nfs/dbraw/zinc/51/76/32/992517632.db2.gz JUKMKVTWBWNAGF-AWEZNQCLSA-N -1 0 337.807 2.581 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001591596683 992823916 /nfs/dbraw/zinc/82/39/16/992823916.db2.gz MFRLQCSJTJJOGS-MRXNPFEDSA-N -1 0 327.384 2.652 20 30 EFEDRM C[C@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1cccc(C#N)c1 ZINC001593079370 993648115 /nfs/dbraw/zinc/64/81/15/993648115.db2.gz RQDYCFHHBNSHOW-JTQLQIEISA-N -1 0 342.355 2.540 20 30 EFEDRM COc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C#N ZINC001599593014 993711768 /nfs/dbraw/zinc/71/17/68/993711768.db2.gz OHWXEXAURCJIOE-UHFFFAOYSA-N -1 0 337.335 2.813 20 30 EFEDRM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ncc(C(=O)[O-])s1 ZINC001593145703 993941730 /nfs/dbraw/zinc/94/17/30/993941730.db2.gz HESDQZCEVTXTIG-MRVPVSSYSA-N -1 0 340.364 2.685 20 30 EFEDRM COc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CCO2 ZINC001599629761 994199665 /nfs/dbraw/zinc/19/96/65/994199665.db2.gz CEYIITKZOCBHOR-GOSISDBHSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1ccc2c(c1)OCCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599630969 994216430 /nfs/dbraw/zinc/21/64/30/994216430.db2.gz WJNFLLFNRGQOBU-GOSISDBHSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(C#N)ccc2F)c1 ZINC001599649412 994473842 /nfs/dbraw/zinc/47/38/42/994473842.db2.gz FFSXDRPJLPLGGT-QGZVFWFLSA-N -1 0 328.343 2.964 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(C#N)oc2C)c1 ZINC001599652696 994530291 /nfs/dbraw/zinc/53/02/91/994530291.db2.gz CKACBYRMBNKANW-GOSISDBHSA-N -1 0 342.351 2.588 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CCCCCC#N)c1 ZINC001599653349 994539418 /nfs/dbraw/zinc/53/94/18/994539418.db2.gz WXHNIUMZVFRGAF-SFHVURJKSA-N -1 0 332.400 2.975 20 30 EFEDRM COc1cccc([C@@H](Sc2nc(C)nc(C)c2C#N)C(=O)[O-])c1 ZINC001599660486 994648890 /nfs/dbraw/zinc/64/88/90/994648890.db2.gz CWVPGACADUXSNJ-CQSZACIVSA-N -1 0 329.381 2.892 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC001599679827 994961299 /nfs/dbraw/zinc/96/12/99/994961299.db2.gz KPKPMOYDTLTXHI-UHFFFAOYSA-N -1 0 333.369 2.615 20 30 EFEDRM C[C@@](O)(CC(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001593386240 995100921 /nfs/dbraw/zinc/10/09/21/995100921.db2.gz HKKWCKJKPBQKOU-LJQANCHMSA-N -1 0 339.347 2.597 20 30 EFEDRM C[C@](O)(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC001593386331 995102200 /nfs/dbraw/zinc/10/22/00/995102200.db2.gz IDRCBPHXCRQSBV-HKUYNNGSSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@@H](O)CN(C)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001593457095 995362579 /nfs/dbraw/zinc/36/25/79/995362579.db2.gz QHJOGNSVXAFDHE-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N(C)Cc1cc(C#N)cs1 ZINC001598713519 995377232 /nfs/dbraw/zinc/37/72/32/995377232.db2.gz PWSQTKIFIIDNKJ-OAHLLOKOSA-N -1 0 344.392 2.664 20 30 EFEDRM COC(=O)[C@@H](Sc1ccc(C#N)cn1)c1cccc(C(=O)[O-])c1 ZINC001598714050 995384139 /nfs/dbraw/zinc/38/41/39/995384139.db2.gz ZXBBOQVATZESNZ-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(CC#N)CCC(=O)[O-] ZINC001598715730 995404305 /nfs/dbraw/zinc/40/43/05/995404305.db2.gz NMSAHALAQPGNIL-CYBMUJFWSA-N -1 0 345.182 2.508 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC001593610521 995802106 /nfs/dbraw/zinc/80/21/06/995802106.db2.gz BALPWJKGTVYGEP-ZDUSSCGKSA-N -1 0 332.400 2.915 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001593612194 995813910 /nfs/dbraw/zinc/81/39/10/995813910.db2.gz MSYBAHOACMKXTI-BBRMVZONSA-N -1 0 344.411 2.723 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593612736 995817420 /nfs/dbraw/zinc/81/74/20/995817420.db2.gz ZELUKKBRIKGULS-BFUOFWGJSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Oc1ccccc1CN(CCC#N)Cc1ccccn1)C(=O)[O-] ZINC001593646297 995982793 /nfs/dbraw/zinc/98/27/93/995982793.db2.gz WLWDZHRRNYKTPJ-HNNXBMFYSA-N -1 0 339.395 2.849 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(CC#N)n1)C(=O)[O-] ZINC001593672511 996076890 /nfs/dbraw/zinc/07/68/90/996076890.db2.gz UBSWQVIMWQXCBS-NSHDSACASA-N -1 0 341.392 2.965 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001593698531 996165535 /nfs/dbraw/zinc/16/55/35/996165535.db2.gz LDLSWEVGSWCLLX-NSHDSACASA-N -1 0 326.356 2.820 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)CCOCc1ccc(C#N)cc1 ZINC001593732208 996309854 /nfs/dbraw/zinc/30/98/54/996309854.db2.gz PRJTYPMNTVIOEX-LBPRGKRZSA-N -1 0 345.424 2.923 20 30 EFEDRM C[C@@]1(C#N)CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001593743396 996368053 /nfs/dbraw/zinc/36/80/53/996368053.db2.gz WVKXZLJQJZPFPG-AWEZNQCLSA-N -1 0 337.173 2.523 20 30 EFEDRM COCc1cc(NC(=O)Cc2ccccc2CC#N)cc(C(=O)[O-])c1 ZINC001599283241 996928872 /nfs/dbraw/zinc/92/88/72/996928872.db2.gz BWUSSGSIXOBQNE-UHFFFAOYSA-N -1 0 338.363 2.778 20 30 EFEDRM COc1cc(C)c(C(=O)/C=C\c2c(C)n(C)nc2C(=O)[O-])cc1OC ZINC001599389932 997015702 /nfs/dbraw/zinc/01/57/02/997015702.db2.gz NIFNZLOVFUETKM-SREVYHEPSA-N -1 0 344.367 2.648 20 30 EFEDRM COCc1cc(NC(=O)c2cc(C#N)ccc2F)cc(C(=O)[O-])c1 ZINC001599289177 997033148 /nfs/dbraw/zinc/03/31/48/997033148.db2.gz XJOXAWBHKDGKNY-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1ccc(C#N)cc1 ZINC001599395908 997125744 /nfs/dbraw/zinc/12/57/44/997125744.db2.gz COBWZGHKVCISBS-CLFYSBASSA-N -1 0 337.331 2.813 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1COC(=O)[C@]1(C#N)CC12CCCC2 ZINC001599501336 997127034 /nfs/dbraw/zinc/12/70/34/997127034.db2.gz SQRWTHRZGXWRPX-GOSISDBHSA-N -1 0 329.352 2.911 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C#N)cc1F)CC2 ZINC001599501609 997131878 /nfs/dbraw/zinc/13/18/78/997131878.db2.gz NFUWFKBWNAYDLO-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM CC1(C)Cc2cccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2O1 ZINC001593969585 997138593 /nfs/dbraw/zinc/13/85/93/997138593.db2.gz ZWOLKZUBMWWFLT-UHFFFAOYSA-N -1 0 343.383 2.622 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])ccc1OCC#N ZINC001599400064 997198433 /nfs/dbraw/zinc/19/84/33/997198433.db2.gz MQYIHHPHGQPWQK-UHFFFAOYSA-N -1 0 343.314 2.881 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])Cc2ccc(C#N)s2)cc(OC)c1 ZINC001599406184 997307784 /nfs/dbraw/zinc/30/77/84/997307784.db2.gz WRSFLSCBBBQSGI-UHFFFAOYSA-N -1 0 346.408 2.724 20 30 EFEDRM COc1cc(CNC(=O)/C=C\c2ccccc2C#N)ccc1C(=O)[O-] ZINC001599408791 997381805 /nfs/dbraw/zinc/38/18/05/997381805.db2.gz FSJHXPNHSLSJCL-CLFYSBASSA-N -1 0 336.347 2.595 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC001599320223 997567892 /nfs/dbraw/zinc/56/78/92/997567892.db2.gz DXIBYDMBWAPFQT-QGZVFWFLSA-N -1 0 340.379 2.839 20 30 EFEDRM CON=Cc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001599320795 997577570 /nfs/dbraw/zinc/57/75/70/997577570.db2.gz MHRXDCWIOPNVDR-MRXNPFEDSA-N -1 0 332.400 2.678 20 30 EFEDRM COCC[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)o1 ZINC001599217975 997616101 /nfs/dbraw/zinc/61/61/01/997616101.db2.gz OIMRDHNQUDWNCJ-RDJZCZTQSA-N -1 0 328.368 2.953 20 30 EFEDRM C[C@@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CCCC[C@@H]1C(=O)[O-] ZINC001594055611 997787287 /nfs/dbraw/zinc/78/72/87/997787287.db2.gz GVMVYCNOHXUXIF-FZKQIMNGSA-N -1 0 325.368 2.803 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC001599231395 997863747 /nfs/dbraw/zinc/86/37/47/997863747.db2.gz SQWYZIYEXIQUBB-HYXAFXHYSA-N -1 0 346.408 2.820 20 30 EFEDRM COCCN(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599231500 997866426 /nfs/dbraw/zinc/86/64/26/997866426.db2.gz BMIFJOSCGXEJKQ-UHFFFAOYSA-N -1 0 342.395 2.876 20 30 EFEDRM COC(=O)c1cc(N=Cc2c(O)cccc2OC)cc(C(=O)[O-])c1 ZINC001598938111 997908960 /nfs/dbraw/zinc/90/89/60/997908960.db2.gz RJYRIERKMHVMSC-UHFFFAOYSA-N -1 0 329.308 2.636 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599347755 998038989 /nfs/dbraw/zinc/03/89/89/998038989.db2.gz KMYRWAAAMDFREG-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599347974 998042788 /nfs/dbraw/zinc/04/27/88/998042788.db2.gz NWKAVHZQKFLHHH-UHFFFAOYSA-N -1 0 329.352 2.897 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599348036 998043801 /nfs/dbraw/zinc/04/38/01/998043801.db2.gz QXXVSNBLCMRPOE-AUUYWEPGSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599348159 998046694 /nfs/dbraw/zinc/04/66/94/998046694.db2.gz SVKYZWUCGOODHV-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1cc(C#N)ccc1CNc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001599348371 998050522 /nfs/dbraw/zinc/05/05/22/998050522.db2.gz VQUGTLBNCSVJCQ-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599349655 998070688 /nfs/dbraw/zinc/07/06/88/998070688.db2.gz ZZILORJUYLFOJV-CVEARBPZSA-N -1 0 336.347 2.610 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2cscc2C#N)C(=O)[O-])c1 ZINC001599451404 998108468 /nfs/dbraw/zinc/10/84/68/998108468.db2.gz DZNDIQWSOGGYIN-AWEZNQCLSA-N -1 0 347.348 2.620 20 30 EFEDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1C#N ZINC001599352548 998119884 /nfs/dbraw/zinc/11/98/84/998119884.db2.gz QBEJRXDRMXWULD-KRWDZBQOSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1C#N ZINC001599353357 998134725 /nfs/dbraw/zinc/13/47/25/998134725.db2.gz WHTGXOKQXDNLDN-HNNXBMFYSA-N -1 0 342.326 2.652 20 30 EFEDRM COC(=O)c1cc(Oc2nc(Cl)c(C#N)s2)cc(C(=O)[O-])c1 ZINC001598950964 998151399 /nfs/dbraw/zinc/15/13/99/998151399.db2.gz STBOOIWSQKRHDY-UHFFFAOYSA-N -1 0 338.728 2.945 20 30 EFEDRM COCCOCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599253099 998265480 /nfs/dbraw/zinc/26/54/80/998265480.db2.gz SLLPNUDYAKOYCT-GOSISDBHSA-N -1 0 340.379 2.959 20 30 EFEDRM COc1ccc(CNC(=O)/C=C\c2ccccc2C#N)cc1C(=O)[O-] ZINC001599565030 998269809 /nfs/dbraw/zinc/26/98/09/998269809.db2.gz DTQPDXCKKRBLKR-CLFYSBASSA-N -1 0 336.347 2.595 20 30 EFEDRM COc1ccc(CNC(=O)c2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC001599569869 998348294 /nfs/dbraw/zinc/34/82/94/998348294.db2.gz YUUGPSVMHYVELR-UHFFFAOYSA-N -1 0 338.363 2.812 20 30 EFEDRM COc1ccc(CNc2cc3c(cc2C(=O)[O-])OCO3)cc1C#N ZINC001599573892 998409874 /nfs/dbraw/zinc/40/98/74/998409874.db2.gz PAIPQICKUWGKOE-UHFFFAOYSA-N -1 0 326.308 2.606 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1ccc(C(=O)[O-])o1 ZINC001599577308 998465243 /nfs/dbraw/zinc/46/52/43/998465243.db2.gz MLKYIPRGRFXBPE-UHFFFAOYSA-N -1 0 334.711 2.848 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)cc1 ZINC001599374738 998468967 /nfs/dbraw/zinc/46/89/67/998468967.db2.gz UTZFYURCTUGMRD-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NCC(=O)Nc1ccc(CC#N)cc1 ZINC001599375186 998473817 /nfs/dbraw/zinc/47/38/17/998473817.db2.gz IMIMDIXLQDCMKM-UHFFFAOYSA-N -1 0 339.351 2.510 20 30 EFEDRM COc1ccc(C#N)cc1CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001599476328 998537623 /nfs/dbraw/zinc/53/76/23/998537623.db2.gz APIISACIRUCFFZ-KRWDZBQOSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599476654 998543838 /nfs/dbraw/zinc/54/38/38/998543838.db2.gz IHTHMGUTWAAVCB-FZKQIMNGSA-N -1 0 343.383 2.676 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001599477014 998549862 /nfs/dbraw/zinc/54/98/62/998549862.db2.gz SYBPWWMQNZUFNH-ZDUSSCGKSA-N -1 0 345.399 2.922 20 30 EFEDRM COCOc1ccc(C#N)cc1-c1ccc(CC(=O)[O-])cc1OC ZINC001599273712 998580421 /nfs/dbraw/zinc/58/04/21/998580421.db2.gz XMMSEEGQPCGUHD-UHFFFAOYSA-N -1 0 327.336 2.844 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(/C=C\C(=O)[O-])o2)c1C ZINC001599274008 998583681 /nfs/dbraw/zinc/58/36/81/998583681.db2.gz HUOZPTQCCVTDOA-FFELTBSMSA-N -1 0 344.367 2.733 20 30 EFEDRM COC(=O)c1ccc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C#N)n1 ZINC001598985006 998691600 /nfs/dbraw/zinc/69/16/00/998691600.db2.gz YQLWOPGKIJIUTB-NSHDSACASA-N -1 0 339.351 2.747 20 30 EFEDRM COC(=O)c1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(C#N)cs2)c1 ZINC001598992046 998746386 /nfs/dbraw/zinc/74/63/86/998746386.db2.gz FUZXLLMDFKINHB-HNNXBMFYSA-N -1 0 344.392 2.664 20 30 EFEDRM COC(=O)c1cccc([C@@H](Sc2ccc(C#N)cn2)C(=O)[O-])c1 ZINC001598992594 998751211 /nfs/dbraw/zinc/75/12/11/998751211.db2.gz ASLNMFSWIWSKJY-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccc(CNc2cccc(F)c2C(=O)[O-])c1C#N ZINC001598994242 998764245 /nfs/dbraw/zinc/76/42/45/998764245.db2.gz MXCOOLZVXFPZJP-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COC(=O)c1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1C#N ZINC001598996319 998783160 /nfs/dbraw/zinc/78/31/60/998783160.db2.gz SERXBTHLNJKGSO-UHFFFAOYSA-N -1 0 342.351 2.577 20 30 EFEDRM COC(=O)c1cccc(CSCc2nc(C(=O)[O-])cs2)c1C#N ZINC001598998729 998804621 /nfs/dbraw/zinc/80/46/21/998804621.db2.gz BMIFRXZSMQVALU-UHFFFAOYSA-N -1 0 348.405 2.933 20 30 EFEDRM COC(=O)c1cccc(CSc2ncccc2C(=O)[O-])c1C#N ZINC001598999097 998807933 /nfs/dbraw/zinc/80/79/33/998807933.db2.gz IXYKISYNVPSOJQ-UHFFFAOYSA-N -1 0 328.349 2.730 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)c2cccc(C#N)n2)(C(=O)[O-])c2ccccc21 ZINC001594321018 999232729 /nfs/dbraw/zinc/23/27/29/999232729.db2.gz BCAMQUBWTBOTOM-BUXKBTBVSA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594444842 999635993 /nfs/dbraw/zinc/63/59/93/999635993.db2.gz BICFQBBHICULPH-CJNGLKHVSA-N -1 0 341.411 2.710 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574797150 1088103386 /nfs/dbraw/zinc/10/33/86/1088103386.db2.gz OVASJXKAHPHZIV-BPNCWPANSA-N -1 0 334.322 2.504 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)nnn1CC1CCCC1 ZINC001646897773 1088503466 /nfs/dbraw/zinc/50/34/66/1088503466.db2.gz IEBCNLPREOVQMZ-GFCCVEGCSA-N -1 0 346.822 2.654 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCc3cc(N)ccc32)cc1C#N ZINC001579384590 1090601398 /nfs/dbraw/zinc/60/13/98/1090601398.db2.gz FMTWSJKQTNYJOK-UHFFFAOYSA-N -1 0 340.408 2.556 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)O[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001579888851 1090715445 /nfs/dbraw/zinc/71/54/45/1090715445.db2.gz SBQLEWWOJSWGBQ-LLVKDONJSA-N -1 0 349.350 2.665 20 30 EFEDRM COc1cc(OC(=O)c2cc(C)c(-c3nn[nH]n3)c(C)c2)ccc1C#N ZINC001579936742 1090727722 /nfs/dbraw/zinc/72/77/22/1090727722.db2.gz UPONNQBNVJCGIL-UHFFFAOYSA-N -1 0 349.350 2.583 20 30 EFEDRM C[C@@H](OC(=O)c1csc(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC001580311776 1090858766 /nfs/dbraw/zinc/85/87/66/1090858766.db2.gz KLOVRWBVFSQWIG-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001581874538 1091329375 /nfs/dbraw/zinc/32/93/75/1091329375.db2.gz VTOQNKKJRWKGSX-JTQLQIEISA-N -1 0 343.803 2.948 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC001583570435 1092042246 /nfs/dbraw/zinc/04/22/46/1092042246.db2.gz FIBUGCRRDLFIAM-CYBMUJFWSA-N -1 0 336.330 2.642 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1cccc(Cl)c1 ZINC001649690072 1092583348 /nfs/dbraw/zinc/58/33/48/1092583348.db2.gz PKQRYGLMGUUOKI-UHFFFAOYSA-N -1 0 348.811 2.649 20 30 EFEDRM CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001649689435 1092584223 /nfs/dbraw/zinc/58/42/23/1092584223.db2.gz BVCGSHNCJQOQPI-UHFFFAOYSA-N -1 0 346.433 2.707 20 30 EFEDRM N#Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CC3CCCCC3)CC2)c1 ZINC001649726500 1092626535 /nfs/dbraw/zinc/62/65/35/1092626535.db2.gz SEHSQYFSCKDBAV-UHFFFAOYSA-N -1 0 346.452 2.616 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1 ZINC001649807128 1092696837 /nfs/dbraw/zinc/69/68/37/1092696837.db2.gz PZRJPTPDWSEUSY-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000796842622 1092908008 /nfs/dbraw/zinc/90/80/08/1092908008.db2.gz HJCMJSHNMBGGDV-INIZCTEOSA-N -1 0 338.429 2.588 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001588363960 1092930748 /nfs/dbraw/zinc/93/07/48/1092930748.db2.gz LBMFVXSHNHJFNJ-UHFFFAOYSA-N -1 0 340.364 2.542 20 30 EFEDRM C=C1CC(C)(C(=O)NCCSCc2ccccc2-c2nn[nH]n2)C1 ZINC001588454226 1092946567 /nfs/dbraw/zinc/94/65/67/1092946567.db2.gz OXAZCTASNRQYFU-UHFFFAOYSA-N -1 0 343.456 2.572 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1 ZINC001588456544 1092947796 /nfs/dbraw/zinc/94/77/96/1092947796.db2.gz PXFIFDGUFUFIPX-OKILXGFUSA-N -1 0 328.351 2.721 20 30 EFEDRM C=C(CNC(=O)[C@@H](C)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001588443962 1092948426 /nfs/dbraw/zinc/94/84/26/1092948426.db2.gz BXHLXRXPQFUOGU-AWEZNQCLSA-N -1 0 347.422 2.875 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001588487526 1092949708 /nfs/dbraw/zinc/94/97/08/1092949708.db2.gz UPIAKICTDMMTPO-UHFFFAOYSA-N -1 0 342.447 2.967 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001588486713 1092950087 /nfs/dbraw/zinc/95/00/87/1092950087.db2.gz JIFOBIACPMEMBG-UHFFFAOYSA-N -1 0 340.431 2.884 20 30 EFEDRM C=CC(C)(C)C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588482177 1092950604 /nfs/dbraw/zinc/95/06/04/1092950604.db2.gz RTGZCHAEBLDNQK-UHFFFAOYSA-N -1 0 338.314 2.724 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC001588525581 1092951433 /nfs/dbraw/zinc/95/14/33/1092951433.db2.gz IRDPGXUSAFTZSU-NSHDSACASA-N -1 0 326.404 2.681 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588539312 1092955514 /nfs/dbraw/zinc/95/55/14/1092955514.db2.gz GLNZYDXMFACZAK-LBPRGKRZSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC001588539611 1092956239 /nfs/dbraw/zinc/95/62/39/1092956239.db2.gz RIAWLGOKVALBKJ-SNVBAGLBSA-N -1 0 327.344 2.680 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)C(=O)[O-] ZINC001588543929 1092956930 /nfs/dbraw/zinc/95/69/30/1092956930.db2.gz QLUHLZDPOSNRHS-MRXNPFEDSA-N -1 0 340.379 2.912 20 30 EFEDRM C=CCN(Cc1ccccc1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001588653722 1092976796 /nfs/dbraw/zinc/97/67/96/1092976796.db2.gz VVKOHEQPZIUGLN-UHFFFAOYSA-N -1 0 336.355 2.968 20 30 EFEDRM CC#CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC001588747510 1092982551 /nfs/dbraw/zinc/98/25/51/1092982551.db2.gz KABBKFKENLCKAF-UHFFFAOYSA-N -1 0 347.378 2.754 20 30 EFEDRM CC#CCCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001588746749 1092982977 /nfs/dbraw/zinc/98/29/77/1092982977.db2.gz VTKYCKUWLGVPJQ-UHFFFAOYSA-N -1 0 342.399 2.761 20 30 EFEDRM Cc1nc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cs1 ZINC001588781157 1092992932 /nfs/dbraw/zinc/99/29/32/1092992932.db2.gz ITAIDFHWNOXZIR-UHFFFAOYSA-N -1 0 346.420 2.753 20 30 EFEDRM CC(C)(CCC#N)CNc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC001589273113 1093061913 /nfs/dbraw/zinc/06/19/13/1093061913.db2.gz VTWZCDWHNGTJJW-UHFFFAOYSA-N -1 0 336.403 2.794 20 30 EFEDRM CC(C)(CCSc1nc(N)c(-c2nn[nH]n2)cc1C#N)C1CC1 ZINC001589276093 1093062971 /nfs/dbraw/zinc/06/29/71/1093062971.db2.gz PADVQPDVDHGFPQ-UHFFFAOYSA-N -1 0 329.433 2.634 20 30 EFEDRM CC(C)(CCSc1nc(N)c(C#N)cc1-c1nn[nH]n1)C1CC1 ZINC001589275676 1093063059 /nfs/dbraw/zinc/06/30/59/1093063059.db2.gz GKDAZCYYCWQAPZ-UHFFFAOYSA-N -1 0 329.433 2.634 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CC2(Cl)Cl)o1 ZINC001589773888 1093143456 /nfs/dbraw/zinc/14/34/56/1093143456.db2.gz PZSQHEUNXDCZPR-LURJTMIESA-N -1 0 330.179 2.570 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594099 1093471066 /nfs/dbraw/zinc/47/10/66/1093471066.db2.gz MBMCHIKDJBGGII-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM Cc1ccc(Nc2c(C#N)cnn2C2CCOCC2)cc1C(=O)[O-] ZINC001211599891 1093522393 /nfs/dbraw/zinc/52/23/93/1093522393.db2.gz ZFMNCMLCPPOZJI-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM CCCOc1ccc(C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001590645159 1093527837 /nfs/dbraw/zinc/52/78/37/1093527837.db2.gz WGFJDGUJHOBQCB-UHFFFAOYSA-N -1 0 341.375 2.788 20 30 EFEDRM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(C#N)(CC)CC ZINC001590827729 1093585347 /nfs/dbraw/zinc/58/53/47/1093585347.db2.gz DQIJSVCJPMYUGX-UHFFFAOYSA-N -1 0 328.376 2.534 20 30 EFEDRM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2Cl)cn1 ZINC001590949690 1093639207 /nfs/dbraw/zinc/63/92/07/1093639207.db2.gz LQRHPOGXVOXIQJ-XQRVVYSFSA-N -1 0 346.753 2.772 20 30 EFEDRM CO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C12CCC2 ZINC001591345180 1093700790 /nfs/dbraw/zinc/70/07/90/1093700790.db2.gz HJILFYXTWXTHLL-JTQLQIEISA-N -1 0 345.407 2.509 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(C)cc2[O-])ccc1-c1nn[nH]n1 ZINC001591523582 1093751684 /nfs/dbraw/zinc/75/16/84/1093751684.db2.gz XGBRRPCPIUQKIA-YVMONPNESA-N -1 0 336.351 2.785 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1-c1nn[nH]n1 ZINC001591802022 1093863660 /nfs/dbraw/zinc/86/36/60/1093863660.db2.gz NCQFOFNBNDDQFQ-CYBMUJFWSA-N -1 0 344.334 2.806 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cs1 ZINC001591958967 1093932703 /nfs/dbraw/zinc/93/27/03/1093932703.db2.gz VLDWNEBTBVKFAO-UHFFFAOYSA-N -1 0 331.405 2.968 20 30 EFEDRM Cc1cc(S(=O)(=O)CCCCC(C)(C)C#N)ccc1-c1nn[nH]n1 ZINC001592063655 1093972435 /nfs/dbraw/zinc/97/24/35/1093972435.db2.gz RTTMTFUIWCUSOD-UHFFFAOYSA-N -1 0 347.444 2.669 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001592112966 1093985121 /nfs/dbraw/zinc/98/51/21/1093985121.db2.gz BXEMNMSNLDAUTG-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM Cc1ccc(Cl)c(Sc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001592170653 1094014653 /nfs/dbraw/zinc/01/46/53/1094014653.db2.gz OBXWOACUZPMMAW-UHFFFAOYSA-N -1 0 329.776 2.641 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CSCCC#N)c1-c1nn[nH]n1 ZINC001592426586 1094103488 /nfs/dbraw/zinc/10/34/88/1094103488.db2.gz UASZEULOQUVNLE-UHFFFAOYSA-N -1 0 325.401 2.508 20 30 EFEDRM N#Cc1ncc(Oc2cc(Cl)cc(Cl)c2)nc1-c1nnn[n-]1 ZINC001592708870 1094183513 /nfs/dbraw/zinc/18/35/13/1094183513.db2.gz WYHHIGMUMDXEGN-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM O=C1c2cc(-c3nn[nH]n3)ccc2CC1=Cc1cc(F)c([O-])c(F)c1 ZINC001593376542 1094302684 /nfs/dbraw/zinc/30/26/84/1094302684.db2.gz TWAGWVFINNSJGN-QDEBKDIKSA-N -1 0 340.289 2.673 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1C1CCOCC1 ZINC001211618633 1094336095 /nfs/dbraw/zinc/33/60/95/1094336095.db2.gz JWSJBDZKWJRFEP-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)sc2nccn12 ZINC001600005132 1094714030 /nfs/dbraw/zinc/71/40/30/1094714030.db2.gz IPKLNCINDXVNQU-GFCCVEGCSA-N -1 0 341.348 2.559 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)sc2nccn12 ZINC001600005133 1094714367 /nfs/dbraw/zinc/71/43/67/1094714367.db2.gz IPKLNCINDXVNQU-LBPRGKRZSA-N -1 0 341.348 2.559 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccnn2-c2ccccc2)c(C(=O)[O-])nn1C ZINC001600008768 1094717312 /nfs/dbraw/zinc/71/73/12/1094717312.db2.gz BIALQCRXSYFPON-CMDGGOBGSA-N -1 0 336.351 2.509 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)COc1cccc(C#N)c1 ZINC001600017643 1094723823 /nfs/dbraw/zinc/72/38/23/1094723823.db2.gz HGQRIBNTIHFAMK-UHFFFAOYSA-N -1 0 329.283 2.688 20 30 EFEDRM Cc1c(NC(=O)C23CC(C(=O)[O-])(C2)C3)ccc(Br)c1C#N ZINC001600030765 1094728454 /nfs/dbraw/zinc/72/84/54/1094728454.db2.gz MVDXXEAKGQKDFE-UHFFFAOYSA-N -1 0 349.184 2.823 20 30 EFEDRM Cc1c(NCC(=O)Nc2ccc(CC#N)cc2)ccc(F)c1C(=O)[O-] ZINC001600048031 1094741933 /nfs/dbraw/zinc/74/19/33/1094741933.db2.gz AAVNQGTZUCKEJN-UHFFFAOYSA-N -1 0 341.342 2.949 20 30 EFEDRM Cc1c(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cnn1C1CCOCC1 ZINC001600049324 1094742559 /nfs/dbraw/zinc/74/25/59/1094742559.db2.gz PQPXJXWVMJZAHR-QGZVFWFLSA-N -1 0 340.383 2.653 20 30 EFEDRM Cc1cc(=O)n(Cc2cccc(C(=O)[O-])c2C#N)cc1Br ZINC001600065316 1094749926 /nfs/dbraw/zinc/74/99/26/1094749926.db2.gz BIFRVNUVAAZPAO-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001600074259 1094753313 /nfs/dbraw/zinc/75/33/13/1094753313.db2.gz VHDFZVQXPCSWIS-IKGGRYGDSA-N -1 0 326.396 2.972 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)Cc2ccc(C(=O)[O-])cc2)C2CC2)n1 ZINC001600074358 1094753429 /nfs/dbraw/zinc/75/34/29/1094753429.db2.gz ZWHUSPAJNKYKBG-UHFFFAOYSA-N -1 0 335.363 2.698 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001600074666 1094753468 /nfs/dbraw/zinc/75/34/68/1094753468.db2.gz OIHZCOILUZOFPL-UHFFFAOYSA-N -1 0 348.362 2.931 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001600075133 1094753779 /nfs/dbraw/zinc/75/37/79/1094753779.db2.gz JKPJNAYISSKXDZ-CYBMUJFWSA-N -1 0 338.363 2.821 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001600074359 1094754196 /nfs/dbraw/zinc/75/41/96/1094754196.db2.gz ZXUAFNARPMSTFB-UHFFFAOYSA-N -1 0 337.397 2.529 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001600076279 1094756087 /nfs/dbraw/zinc/75/60/87/1094756087.db2.gz QZJXTWVHRHAYMU-MRXNPFEDSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1cc(C#N)ccc1CN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC001600075360 1094756099 /nfs/dbraw/zinc/75/60/99/1094756099.db2.gz UJAKGHPCZKIJFU-UHFFFAOYSA-N -1 0 344.392 2.531 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C)/C=C\C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001600088936 1094765642 /nfs/dbraw/zinc/76/56/42/1094765642.db2.gz YPIZHXHCGAGZKB-TWLAMCEISA-N -1 0 337.379 2.725 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)oc1C(=O)[O-] ZINC001600098524 1094768944 /nfs/dbraw/zinc/76/89/44/1094768944.db2.gz ABPMEWYMAZNFEH-UHFFFAOYSA-N -1 0 325.324 2.985 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ncc1C#N ZINC001600099478 1094769635 /nfs/dbraw/zinc/76/96/35/1094769635.db2.gz TTXGLDSXRZEEKZ-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(C(=O)[O-])c2c(n1)nc(S[C@@H]1CC[C@@H](C#N)C1)[nH]c2=O ZINC001600106532 1094773918 /nfs/dbraw/zinc/77/39/18/1094773918.db2.gz OXQXZJKROYEGDS-RKDXNWHRSA-N -1 0 330.369 2.521 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])nn1-c1cccc(C#N)c1 ZINC001600135775 1094794882 /nfs/dbraw/zinc/79/48/82/1094794882.db2.gz LJMZPRKOHAFCHW-INIZCTEOSA-N -1 0 341.367 2.709 20 30 EFEDRM Cc1cc(C(F)(F)F)c(C#N)c(SC[C@@H]2CC(C(=O)[O-])=NO2)n1 ZINC001600142853 1094799919 /nfs/dbraw/zinc/79/99/19/1094799919.db2.gz FMXIWFJCJBOWMO-ZETCQYMHSA-N -1 0 345.302 2.602 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2cccc(C#N)c2C)C(=O)[O-])ccc1F ZINC001600148835 1094810770 /nfs/dbraw/zinc/81/07/70/1094810770.db2.gz PFIIDGUHDPIWDQ-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NCC(=O)NCc1ccc(C#N)cc1 ZINC001600158675 1094821727 /nfs/dbraw/zinc/82/17/27/1094821727.db2.gz FQJOZOASJJUOAL-UHFFFAOYSA-N -1 0 337.379 2.602 20 30 EFEDRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001600172011 1094837856 /nfs/dbraw/zinc/83/78/56/1094837856.db2.gz CPPLWVMJGXWLQB-OAHLLOKOSA-N -1 0 343.427 2.634 20 30 EFEDRM Cc1cc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)nc(C)c1C(=O)[O-] ZINC001600243547 1094912268 /nfs/dbraw/zinc/91/22/68/1094912268.db2.gz OATXGODHPJVALW-YVMONPNESA-N -1 0 342.326 2.757 20 30 EFEDRM Cc1cc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(C#N)cc1[N+](=O)[O-] ZINC001600243571 1094912376 /nfs/dbraw/zinc/91/23/76/1094912376.db2.gz PRTZAASDMGFZMD-CXAGYDPISA-N -1 0 329.356 2.856 20 30 EFEDRM Cc1cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c(C#N)cc1N(C)C ZINC001600255376 1094917467 /nfs/dbraw/zinc/91/74/67/1094917467.db2.gz MLCFWVVRUXHSBG-PLNGDYQASA-N -1 0 339.351 2.876 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)nn1CCC#N ZINC001600272084 1094933399 /nfs/dbraw/zinc/93/33/99/1094933399.db2.gz HGRLCVKUDXOJGV-UHFFFAOYSA-N -1 0 349.297 2.726 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c(C)c1C#N ZINC001600292215 1094950990 /nfs/dbraw/zinc/95/09/90/1094950990.db2.gz FJCSCWSKASYFIG-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(F)cc2C#N)c(C(=O)[O-])s1 ZINC001600292558 1094951199 /nfs/dbraw/zinc/95/11/99/1094951199.db2.gz UNNPQPCKXILWMG-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2cccc(CC#N)c2)ccc1C(=O)[O-] ZINC001600300762 1094953089 /nfs/dbraw/zinc/95/30/89/1094953089.db2.gz DPKQBZNLHIMGQO-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1cc(S(C)(=O)=O)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001600302653 1094955710 /nfs/dbraw/zinc/95/57/10/1094955710.db2.gz GGLWDATYKRZDIB-UHFFFAOYSA-N -1 0 344.392 2.581 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001600305593 1094956912 /nfs/dbraw/zinc/95/69/12/1094956912.db2.gz BYCHMPKKQXUCBR-UHFFFAOYSA-N -1 0 338.367 2.717 20 30 EFEDRM Cc1ccc(-c2nc(CN3CCC(C#N)(C(=O)[O-])CC3)cs2)o1 ZINC001600317973 1094969366 /nfs/dbraw/zinc/96/93/66/1094969366.db2.gz MQNKQAGJWXZJSY-UHFFFAOYSA-N -1 0 331.397 2.902 20 30 EFEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2ccoc2C(=O)[O-])cc1 ZINC001600319899 1094971133 /nfs/dbraw/zinc/97/11/33/1094971133.db2.gz MGBHRGATJFDBIM-UHFFFAOYSA-N -1 0 328.353 2.716 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001600328572 1094975466 /nfs/dbraw/zinc/97/54/66/1094975466.db2.gz BEQUDTZXXNNQNM-KVPUOBJLSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001600328433 1094975849 /nfs/dbraw/zinc/97/58/49/1094975849.db2.gz GRIGGWUPLRIUFP-SFHVURJKSA-N -1 0 347.374 2.774 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001600328448 1094975953 /nfs/dbraw/zinc/97/59/53/1094975953.db2.gz HMALVEYWXJKCAN-GOSISDBHSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1oc(CN(C)C(=O)/C=C\C(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001600328516 1094975994 /nfs/dbraw/zinc/97/59/94/1094975994.db2.gz AAJWDVRLAUSTOE-HJWRWDBZSA-N -1 0 341.363 2.992 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001600328588 1094976048 /nfs/dbraw/zinc/97/60/48/1094976048.db2.gz CDSLKCXKERWMEI-ZHACJKMWSA-N -1 0 337.375 2.677 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001600329751 1094977465 /nfs/dbraw/zinc/97/74/65/1094977465.db2.gz XWDWVOWXTWTMNC-KTKRTIGZSA-N -1 0 339.347 2.836 20 30 EFEDRM Cc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1C(F)(F)F ZINC001600331834 1094979841 /nfs/dbraw/zinc/97/98/41/1094979841.db2.gz FSHDTEQNUOOZPR-UHFFFAOYSA-N -1 0 340.301 2.844 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1C#N ZINC001600336329 1094983031 /nfs/dbraw/zinc/98/30/31/1094983031.db2.gz JDZAYQYCQZIADA-SWKXRBFHSA-N -1 0 344.436 2.726 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1cc(C#N)ccn1 ZINC001600357957 1094998903 /nfs/dbraw/zinc/99/89/03/1094998903.db2.gz KXQBITCJVRGWOZ-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC001600379961 1095018508 /nfs/dbraw/zinc/01/85/08/1095018508.db2.gz RRELYCJSPUHTIT-OTWHNJEPSA-N -1 0 348.402 2.955 20 30 EFEDRM Cc1ccc([C@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001600385216 1095024552 /nfs/dbraw/zinc/02/45/52/1095024552.db2.gz NRVKCMWHZZRUQK-KRWDZBQOSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001600433176 1095063289 /nfs/dbraw/zinc/06/32/89/1095063289.db2.gz DSHAVSIOBJKMMC-UHFFFAOYSA-N -1 0 327.340 2.561 20 30 EFEDRM Cc1ccc(F)c2c1C(=NNc1ccc(C)c(C(=O)[O-])c1)C(=O)N2 ZINC001600463164 1095085961 /nfs/dbraw/zinc/08/59/61/1095085961.db2.gz OCEJXKGMECOETR-UHFFFAOYSA-N -1 0 327.315 2.909 20 30 EFEDRM Cc1ccc(O[C@H]2CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)nc1 ZINC001600469247 1095091455 /nfs/dbraw/zinc/09/14/55/1095091455.db2.gz JTCRCSARIVBDEZ-HNNXBMFYSA-N -1 0 337.379 2.613 20 30 EFEDRM Cc1ccc(O[C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc1 ZINC001600468952 1095092031 /nfs/dbraw/zinc/09/20/31/1095092031.db2.gz DSFDBLIDOPQWDN-SJLPKXTDSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc2c(cnn2CN2Cc3cccc(C#N)c3C2)c1C(=O)[O-] ZINC001600498630 1095112710 /nfs/dbraw/zinc/11/27/10/1095112710.db2.gz SMGJSAXWVXBISU-UHFFFAOYSA-N -1 0 332.363 2.888 20 30 EFEDRM Cc1ccc2c(c1)nc(CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)n2C ZINC001600498749 1095113327 /nfs/dbraw/zinc/11/33/27/1095113327.db2.gz HBKHOKMDNNVFGK-GOSISDBHSA-N -1 0 334.379 2.669 20 30 EFEDRM Cc1cccc(S(=O)(=O)Oc2ccc(CC#N)cc2)c1C(=O)[O-] ZINC001600550310 1095156698 /nfs/dbraw/zinc/15/66/98/1095156698.db2.gz CPTVDTXLKOOXLW-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1ccccc1-c1noc([C@@H](C)N2CCC(C#N)(C(=O)[O-])CC2)n1 ZINC001600562590 1095166706 /nfs/dbraw/zinc/16/67/06/1095166706.db2.gz VKYREZABIXOWRB-CYBMUJFWSA-N -1 0 340.383 2.796 20 30 EFEDRM Cc1cncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC001600626187 1095220600 /nfs/dbraw/zinc/22/06/00/1095220600.db2.gz YWGORSVSTIWGDA-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001600641015 1095229843 /nfs/dbraw/zinc/22/98/43/1095229843.db2.gz HYOMXAXXCAFXMH-CQSZACIVSA-N -1 0 326.352 2.990 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001600644367 1095231750 /nfs/dbraw/zinc/23/17/50/1095231750.db2.gz WURFMSMRWMCLSO-UHFFFAOYSA-N -1 0 332.743 2.670 20 30 EFEDRM Cc1coc2ccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc12 ZINC001600644661 1095232176 /nfs/dbraw/zinc/23/21/76/1095232176.db2.gz VGQPOEMGGIJHAU-UHFFFAOYSA-N -1 0 327.340 2.964 20 30 EFEDRM Cc1csc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)c1C#N ZINC001600663545 1095245618 /nfs/dbraw/zinc/24/56/18/1095245618.db2.gz LRSHXMPQDCEJLK-INIZCTEOSA-N -1 0 344.396 2.835 20 30 EFEDRM Cc1csc(NC(=O)CS[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001600663731 1095245697 /nfs/dbraw/zinc/24/56/97/1095245697.db2.gz PYPZRYYCALBQCR-CYBMUJFWSA-N -1 0 347.421 2.821 20 30 EFEDRM Cc1nc(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)ccc1C#N ZINC001600684089 1095257157 /nfs/dbraw/zinc/25/71/57/1095257157.db2.gz RDABPEZUFMEAMT-FKIZINRSSA-N -1 0 349.390 2.869 20 30 EFEDRM Cc1nc(C)n(Cc2cccc(Nc3ccc(C(=O)[O-])nc3C#N)c2)n1 ZINC001600692762 1095263546 /nfs/dbraw/zinc/26/35/46/1095263546.db2.gz RHVDIQOLHONROF-UHFFFAOYSA-N -1 0 348.366 2.652 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2ccccc2O[C@H](C)C(=O)[O-])n1 ZINC001600705152 1095274492 /nfs/dbraw/zinc/27/44/92/1095274492.db2.gz DJJBPNGMPSOGQR-SECBINFHSA-N -1 0 334.763 2.736 20 30 EFEDRM Cc1nc(COC(=O)[C@H](CC#N)c2ccccc2)sc1C(=O)[O-] ZINC001600705731 1095275363 /nfs/dbraw/zinc/27/53/63/1095275363.db2.gz QGBBUMJEOMFGHS-GFCCVEGCSA-N -1 0 330.365 2.890 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2o1 ZINC001600727187 1095293677 /nfs/dbraw/zinc/29/36/77/1095293677.db2.gz DPEQRHYIGBTMSO-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccccc1O[C@@H](C)C(=O)[O-] ZINC001600768640 1095320113 /nfs/dbraw/zinc/32/01/13/1095320113.db2.gz MWBYWJFZTZJLHH-XPSMFNQNSA-N -1 0 328.368 2.785 20 30 EFEDRM Cc1nn(Cc2ccccc2)c(C)c1C=NOCC1(C(=O)[O-])CC1 ZINC001600789923 1095333570 /nfs/dbraw/zinc/33/35/70/1095333570.db2.gz WZVODHDEAVIHTQ-UHFFFAOYSA-N -1 0 327.384 2.764 20 30 EFEDRM Cc1nnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(C#N)c1C ZINC001600797502 1095339044 /nfs/dbraw/zinc/33/90/44/1095339044.db2.gz NURXMUODGWOKJO-UHFFFAOYSA-N -1 0 343.412 2.504 20 30 EFEDRM Cc1noc(C)c1CCC(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001600806881 1095344631 /nfs/dbraw/zinc/34/46/31/1095344631.db2.gz COUUPGRXBHCJOO-UHFFFAOYSA-N -1 0 327.336 2.517 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C#N ZINC001600819442 1095353571 /nfs/dbraw/zinc/35/35/71/1095353571.db2.gz DTNSVBPKTWMJKV-RNCFNFMXSA-N -1 0 344.396 2.907 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001600821734 1095354734 /nfs/dbraw/zinc/35/47/34/1095354734.db2.gz HDWACBYUKGFGMY-HNNXBMFYSA-N -1 0 338.319 2.632 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600822234 1095355738 /nfs/dbraw/zinc/35/57/38/1095355738.db2.gz QEVROHVIQDJWDE-QGZVFWFLSA-N -1 0 346.770 2.929 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001600823047 1095356526 /nfs/dbraw/zinc/35/65/26/1095356526.db2.gz ZCAQNFBUHPWMJO-UHFFFAOYSA-N -1 0 328.324 2.662 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001600822631 1095356579 /nfs/dbraw/zinc/35/65/79/1095356579.db2.gz VCKIAOMYLDGGPR-LBPRGKRZSA-N -1 0 326.352 2.823 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001600822634 1095356713 /nfs/dbraw/zinc/35/67/13/1095356713.db2.gz VGVMECYAQHNKJH-UHFFFAOYSA-N -1 0 326.352 2.965 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC001600830748 1095363821 /nfs/dbraw/zinc/36/38/21/1095363821.db2.gz PHHWMXZMJFIVJI-NSHDSACASA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1oc(CN(C)C(=O)Nc2ccc(F)cc2C#N)cc1C(=O)[O-] ZINC001600842971 1095373669 /nfs/dbraw/zinc/37/36/69/1095373669.db2.gz OKYYPFINYRKJFZ-UHFFFAOYSA-N -1 0 331.303 2.961 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)c2coc(C#N)c2)nc1C(=O)[O-] ZINC001600882376 1095405848 /nfs/dbraw/zinc/40/58/48/1095405848.db2.gz KUAADAGDNLEMBP-NSHDSACASA-N -1 0 331.353 2.592 20 30 EFEDRM Cc1sc(NC(=O)CN([C@H](C)C(=O)[O-])C2CCC2)c(C#N)c1C ZINC001600886598 1095407050 /nfs/dbraw/zinc/40/70/50/1095407050.db2.gz ZMHZEOXQHZJSJP-SNVBAGLBSA-N -1 0 335.429 2.503 20 30 EFEDRM Cc1sc(NC(=O)CN([C@@H](C)C(=O)[O-])C2CCC2)c(C#N)c1C ZINC001600886597 1095407631 /nfs/dbraw/zinc/40/76/31/1095407631.db2.gz ZMHZEOXQHZJSJP-JTQLQIEISA-N -1 0 335.429 2.503 20 30 EFEDRM Cn1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1-c1ccccc1 ZINC001600899816 1095414206 /nfs/dbraw/zinc/41/42/06/1095414206.db2.gz SUEVCPIXNWCGBA-UHFFFAOYSA-N -1 0 337.379 2.523 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001600899460 1095414404 /nfs/dbraw/zinc/41/44/04/1095414404.db2.gz MESKZKXFJQNFBQ-UHFFFAOYSA-N -1 0 344.396 2.961 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)CC#Cc2ccccc2)c1C(=O)[O-] ZINC001600900991 1095415292 /nfs/dbraw/zinc/41/52/92/1095415292.db2.gz CGSNNJXUPOLCDF-UHFFFAOYSA-N -1 0 333.347 2.652 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001600908440 1095420270 /nfs/dbraw/zinc/42/02/70/1095420270.db2.gz BNNNEEZOEJCIQH-CQSZACIVSA-N -1 0 333.347 2.690 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1Cc1nc(C#N)cs1 ZINC001600907947 1095420894 /nfs/dbraw/zinc/42/08/94/1095420894.db2.gz CHEZNFKFRZQWJS-CYBMUJFWSA-N -1 0 330.413 2.779 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001600927361 1095433737 /nfs/dbraw/zinc/43/37/37/1095433737.db2.gz FOVYLPIVOSNKND-CYBMUJFWSA-N -1 0 336.706 2.672 20 30 EFEDRM Cn1cc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC001600946705 1095440258 /nfs/dbraw/zinc/44/02/58/1095440258.db2.gz ONIAAAYYMZNYBM-MDWZMJQESA-N -1 0 333.413 2.616 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1C(=O)[O-] ZINC001600945286 1095440475 /nfs/dbraw/zinc/44/04/75/1095440475.db2.gz IUORJQXSDBKUDU-DAXSKMNVSA-N -1 0 338.363 2.849 20 30 EFEDRM Cn1cc(NC(=O)NC(C)(C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001600964382 1095448084 /nfs/dbraw/zinc/44/80/84/1095448084.db2.gz KXLZDJOQJHYQSD-UHFFFAOYSA-N -1 0 326.356 2.652 20 30 EFEDRM Cn1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC001600964228 1095448226 /nfs/dbraw/zinc/44/82/26/1095448226.db2.gz IJINPZDPIDMVRJ-CQSZACIVSA-N -1 0 326.356 2.890 20 30 EFEDRM Cn1ncc2c1ncnc2N=NC1CCC[C@H](CCCC(=O)[O-])C1 ZINC001601031183 1095473554 /nfs/dbraw/zinc/47/35/54/1095473554.db2.gz RUFIHQSFODKNOH-LLVKDONJSA-N -1 0 330.392 2.576 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccccc1Br ZINC001601047727 1095477824 /nfs/dbraw/zinc/47/78/24/1095477824.db2.gz BTKHTVXRIPBGPL-LLVKDONJSA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001601046434 1095477900 /nfs/dbraw/zinc/47/79/00/1095477900.db2.gz UNXBHDLJRUDHBD-IIAWOOMASA-N -1 0 339.391 2.887 20 30 EFEDRM N#C[C@@H](COC(=O)Cc1ccc(C(=O)[O-])cc1)Cc1cccs1 ZINC001601049531 1095479631 /nfs/dbraw/zinc/47/96/31/1095479631.db2.gz ZFJREGKGSRUUTL-ZDUSSCGKSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001601048424 1095479699 /nfs/dbraw/zinc/47/96/99/1095479699.db2.gz LPCXRRYQMWYAJM-OAHLLOKOSA-N -1 0 328.755 2.962 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC001601048143 1095479813 /nfs/dbraw/zinc/47/98/13/1095479813.db2.gz CPRYIOFSCAHFDA-UHFFFAOYSA-N -1 0 326.396 2.616 20 30 EFEDRM N#C[C@@H](COC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])Cc1ccc(F)cc1 ZINC001601048333 1095480034 /nfs/dbraw/zinc/48/00/34/1095480034.db2.gz KQSFORGPGXMADX-IMJJTQAJSA-N -1 0 333.359 2.942 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC001601052040 1095481425 /nfs/dbraw/zinc/48/14/25/1095481425.db2.gz KHVFXGDDZFROQQ-UHFFFAOYSA-N -1 0 337.379 2.740 20 30 EFEDRM N#C[C@@]1(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC2CCC1CC2 ZINC001601050829 1095481524 /nfs/dbraw/zinc/48/15/24/1095481524.db2.gz OZPRIFCVIMORAD-IGCAFJPESA-N -1 0 347.802 2.769 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001601051412 1095481584 /nfs/dbraw/zinc/48/15/84/1095481584.db2.gz OLJHFRJCYJHYJP-RBSFLKMASA-N -1 0 333.432 2.745 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(SC3CC3)cc2)CC1 ZINC001601051880 1095481598 /nfs/dbraw/zinc/48/15/98/1095481598.db2.gz WLVJIOBMLNGNDH-UHFFFAOYSA-N -1 0 344.436 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ncc(Br)cc2Cl)CC1 ZINC001601053711 1095481727 /nfs/dbraw/zinc/48/17/27/1095481727.db2.gz PHUWNVJNENJDGO-UHFFFAOYSA-N -1 0 344.596 2.692 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CCCOC1 ZINC001601050790 1095481789 /nfs/dbraw/zinc/48/17/89/1095481789.db2.gz LTSWMGJPTXCXGI-AWEZNQCLSA-N -1 0 343.166 2.950 20 30 EFEDRM N#C[C@]1(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC2CCC1CC2 ZINC001601050843 1095481854 /nfs/dbraw/zinc/48/18/54/1095481854.db2.gz QBFCLHYWQLVCED-CLIRUNRCSA-N -1 0 333.413 2.819 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3ccon3)c2)CC1 ZINC001601051649 1095481877 /nfs/dbraw/zinc/48/18/77/1095481877.db2.gz DGOZMMQUIBIBQV-UHFFFAOYSA-N -1 0 340.339 2.564 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001601051411 1095481883 /nfs/dbraw/zinc/48/18/83/1095481883.db2.gz OLJHFRJCYJHYJP-QLFBSQMISA-N -1 0 333.432 2.745 20 30 EFEDRM N#C[C@]1(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CC12CCCC2 ZINC001601050705 1095481905 /nfs/dbraw/zinc/48/19/05/1095481905.db2.gz GTENGCHEHPUQRE-QGHHPUGFSA-N -1 0 345.424 2.745 20 30 EFEDRM N#CC1(CCCOC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCOCC1 ZINC001601054769 1095483040 /nfs/dbraw/zinc/48/30/40/1095483040.db2.gz RYRQFXHWZMVROD-UHFFFAOYSA-N -1 0 335.400 2.665 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC001601052977 1095483279 /nfs/dbraw/zinc/48/32/79/1095483279.db2.gz ZBTUSUZNFUNTHK-UHFFFAOYSA-N -1 0 337.326 2.524 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001601057259 1095484670 /nfs/dbraw/zinc/48/46/70/1095484670.db2.gz QNVACTJHRVKNHS-INIZCTEOSA-N -1 0 331.372 2.946 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC001601057855 1095484713 /nfs/dbraw/zinc/48/47/13/1095484713.db2.gz FEOJUNMULWLIKK-QGZVFWFLSA-N -1 0 327.409 2.899 20 30 EFEDRM N#CC1(Cn2cc(-c3csc(CCCC(=O)[O-])n3)nn2)CCCC1 ZINC001601058134 1095484854 /nfs/dbraw/zinc/48/48/54/1095484854.db2.gz MVFWUYLWVLQCOX-UHFFFAOYSA-N -1 0 345.428 2.893 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001601057728 1095485099 /nfs/dbraw/zinc/48/50/99/1095485099.db2.gz CZKRWFJPJWCLID-IBGZPJMESA-N -1 0 339.370 2.976 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001601055644 1095485116 /nfs/dbraw/zinc/48/51/16/1095485116.db2.gz UREFSEDCTLKMRI-UONOGXRCSA-N -1 0 332.787 2.660 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001601060046 1095486183 /nfs/dbraw/zinc/48/61/83/1095486183.db2.gz VGNGJOSIIIXOFI-CYBMUJFWSA-N -1 0 333.413 2.772 20 30 EFEDRM N#CC[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601060423 1095486358 /nfs/dbraw/zinc/48/63/58/1095486358.db2.gz HKKKNBKXUWEAOY-BXWFABGCSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001601061624 1095486413 /nfs/dbraw/zinc/48/64/13/1095486413.db2.gz YMOKBFXOCXLNHG-CVEARBPZSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC001601059334 1095486664 /nfs/dbraw/zinc/48/66/64/1095486664.db2.gz ZBXFTJPBAMZXBE-INIZCTEOSA-N -1 0 336.347 2.503 20 30 EFEDRM N#CC[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccccc1 ZINC001601060673 1095486745 /nfs/dbraw/zinc/48/67/45/1095486745.db2.gz LIUKNPKTVIIJJL-WFASDCNBSA-N -1 0 340.301 2.549 20 30 EFEDRM N#CCCCC[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001601066092 1095487806 /nfs/dbraw/zinc/48/78/06/1095487806.db2.gz ZYJJDMAFXRWBAA-QHCPKHFHSA-N -1 0 332.381 2.982 20 30 EFEDRM N#CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601064774 1095488002 /nfs/dbraw/zinc/48/80/02/1095488002.db2.gz IWHZFXVARIPGMT-CQSZACIVSA-N -1 0 348.380 2.691 20 30 EFEDRM N#CCCCCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001601065578 1095488127 /nfs/dbraw/zinc/48/81/27/1095488127.db2.gz KASJFPZVSSGJMR-UHFFFAOYSA-N -1 0 329.356 2.667 20 30 EFEDRM N#CCCCCS(=O)(=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001601065395 1095488365 /nfs/dbraw/zinc/48/83/65/1095488365.db2.gz DBEJMYLWOSRUTR-UHFFFAOYSA-N -1 0 348.380 2.648 20 30 EFEDRM N#CCCCn1cc(C(=O)OCC2(C(=O)[O-])CC2)c2ccccc21 ZINC001601066476 1095488441 /nfs/dbraw/zinc/48/84/41/1095488441.db2.gz FBRSSTTUQDHUFM-UHFFFAOYSA-N -1 0 326.352 2.967 20 30 EFEDRM N#CCCC[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001601064535 1095488605 /nfs/dbraw/zinc/48/86/05/1095488605.db2.gz AGJRPJZCFPDZHF-CQSZACIVSA-N -1 0 348.380 2.691 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC001601069559 1095489424 /nfs/dbraw/zinc/48/94/24/1095489424.db2.gz FJOYUUAGFJOEFJ-UHFFFAOYSA-N -1 0 336.347 2.955 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccccc1NC1CCCCC1 ZINC001601071658 1095489839 /nfs/dbraw/zinc/48/98/39/1095489839.db2.gz CHKCABSMDDGYHB-UHFFFAOYSA-N -1 0 329.400 2.872 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001601067658 1095490022 /nfs/dbraw/zinc/49/00/22/1095490022.db2.gz DOSFCMLIMOVDNU-UHFFFAOYSA-N -1 0 329.400 2.749 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC001601069383 1095490071 /nfs/dbraw/zinc/49/00/71/1095490071.db2.gz CTSRFDOZPANHMN-UHFFFAOYSA-N -1 0 341.194 2.852 20 30 EFEDRM N#CCCc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001601068555 1095490121 /nfs/dbraw/zinc/49/01/21/1095490121.db2.gz GEDCSSRXIWYNSW-OAHLLOKOSA-N -1 0 327.384 2.861 20 30 EFEDRM N#CCSCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001601075322 1095490904 /nfs/dbraw/zinc/49/09/04/1095490904.db2.gz BLVVDOJZGLUXST-UHFFFAOYSA-N -1 0 333.394 2.704 20 30 EFEDRM N#CCOc1cccc(OC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001601075695 1095491318 /nfs/dbraw/zinc/49/13/18/1095491318.db2.gz NOVGFIRBQMPNNV-APWZRJJASA-N -1 0 337.331 2.753 20 30 EFEDRM N#CCOc1ccc(Cl)cc1CN1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC001601074388 1095491351 /nfs/dbraw/zinc/49/13/51/1095491351.db2.gz VNMPLRQWTRUMJK-LLVKDONJSA-N -1 0 330.718 2.537 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001601076155 1095491357 /nfs/dbraw/zinc/49/13/57/1095491357.db2.gz OIBALWGKJHBOOZ-UHFFFAOYSA-N -1 0 346.726 2.898 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001601073702 1095491378 /nfs/dbraw/zinc/49/13/78/1095491378.db2.gz JKSTXVCNFIVTRM-UHFFFAOYSA-N -1 0 332.331 2.702 20 30 EFEDRM N#CCOc1ccc(COC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001601074390 1095491440 /nfs/dbraw/zinc/49/14/40/1095491440.db2.gz VPNJJKPGNAUBMB-UHFFFAOYSA-N -1 0 329.352 2.667 20 30 EFEDRM N#CCSCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001601076085 1095491668 /nfs/dbraw/zinc/49/16/68/1095491668.db2.gz NLLYFXCXCVMIBL-LLVKDONJSA-N -1 0 333.287 2.788 20 30 EFEDRM N#CCSc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC001601075916 1095491734 /nfs/dbraw/zinc/49/17/34/1095491734.db2.gz SCRJKULIKGGAKO-UHFFFAOYSA-N -1 0 328.349 2.958 20 30 EFEDRM N#CCOc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001601074312 1095491785 /nfs/dbraw/zinc/49/17/85/1095491785.db2.gz ROLKJZKCTKJFOG-UHFFFAOYSA-N -1 0 343.314 2.999 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cnc(CCc2ccccc2)s1 ZINC001601073064 1095491912 /nfs/dbraw/zinc/49/19/12/1095491912.db2.gz ZDAUYLXAMPKWEU-UHFFFAOYSA-N -1 0 329.425 2.729 20 30 EFEDRM N#CCOc1cccc(CC(=O)OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001601076148 1095492938 /nfs/dbraw/zinc/49/29/38/1095492938.db2.gz VXUGMLYBIBLSTQ-HOCLYGCPSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCc1cccc(N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001601077789 1095493093 /nfs/dbraw/zinc/49/30/93/1095493093.db2.gz MJHCQUCVGXZPJP-NSHDSACASA-N -1 0 328.397 2.686 20 30 EFEDRM N#CCOc1cccc(CC(=O)OC[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001601076145 1095493154 /nfs/dbraw/zinc/49/31/54/1095493154.db2.gz VXUGMLYBIBLSTQ-GOEBONIOSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C2 ZINC001601077973 1095493183 /nfs/dbraw/zinc/49/31/83/1095493183.db2.gz LOHVMGJGMCJVIH-UHFFFAOYSA-N -1 0 338.338 2.788 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1cccc(CC(=O)[O-])c1)C2 ZINC001601078110 1095493475 /nfs/dbraw/zinc/49/34/75/1095493475.db2.gz PISSOHFMHWEIKY-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001601077843 1095493595 /nfs/dbraw/zinc/49/35/95/1095493595.db2.gz NLVTTZNYAAJSBE-KRWDZBQOSA-N -1 0 348.358 2.925 20 30 EFEDRM N#C[C@@H]1CCCC[C@H]1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001601079023 1095494498 /nfs/dbraw/zinc/49/44/98/1095494498.db2.gz COIPGNKVPGHYAB-BLLLJJGKSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCc1ccsc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001601079113 1095494620 /nfs/dbraw/zinc/49/46/20/1095494620.db2.gz NSMNJVHBCUCGGN-UHFFFAOYSA-N -1 0 326.337 2.641 20 30 EFEDRM N#Cc1c(COC(=O)c2cnn(-c3ccccc3)c2)cccc1C(=O)[O-] ZINC001601080751 1095494726 /nfs/dbraw/zinc/49/47/26/1095494726.db2.gz SOYSFBLREBMMBI-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#CCn1c(C(=O)OCc2cccc(C(=O)[O-])n2)cc2ccccc21 ZINC001601079069 1095495136 /nfs/dbraw/zinc/49/51/36/1095495136.db2.gz LZHSKTBPIQVUNU-UHFFFAOYSA-N -1 0 335.319 2.615 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc2ccccc21 ZINC001601078840 1095495141 /nfs/dbraw/zinc/49/51/41/1095495141.db2.gz DIJXTHJSCCIHLA-HNNXBMFYSA-N -1 0 339.395 2.928 20 30 EFEDRM N#Cc1c(CS(=O)(=O)c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC001601080237 1095495202 /nfs/dbraw/zinc/49/52/02/1095495202.db2.gz DNPNRTAVTWHLQB-UHFFFAOYSA-N -1 0 341.797 2.945 20 30 EFEDRM N#Cc1c(CN2CCC(C(=O)C(F)(F)F)CC2)cccc1C(=O)[O-] ZINC001601081018 1095496100 /nfs/dbraw/zinc/49/61/00/1095496100.db2.gz HIHRNFBUSNBLNV-UHFFFAOYSA-N -1 0 340.301 2.600 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601081898 1095496501 /nfs/dbraw/zinc/49/65/01/1095496501.db2.gz AKJRFTPCUWLROX-LJQANCHMSA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCOC3(CCC3)C2)cccc1C(=O)[O-] ZINC001601083575 1095497567 /nfs/dbraw/zinc/49/75/67/1095497567.db2.gz JUTOMKXBEBAAOE-LBPRGKRZSA-N -1 0 329.352 2.649 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(F)cnc2Cl)cccc1C(=O)[O-] ZINC001601083726 1095497572 /nfs/dbraw/zinc/49/75/72/1095497572.db2.gz PHAUEAOVMUQECB-UHFFFAOYSA-N -1 0 334.690 2.801 20 30 EFEDRM N#Cc1c(COC(=O)Cc2ccc(Cl)cn2)cccc1C(=O)[O-] ZINC001601083745 1095497782 /nfs/dbraw/zinc/49/77/82/1095497782.db2.gz QDYCAKDRXSFEGW-UHFFFAOYSA-N -1 0 330.727 2.591 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCOC3(CCC3)C2)cccc1C(=O)[O-] ZINC001601083574 1095497797 /nfs/dbraw/zinc/49/77/97/1095497797.db2.gz JUTOMKXBEBAAOE-GFCCVEGCSA-N -1 0 329.352 2.649 20 30 EFEDRM N#Cc1cc(Br)ccc1N1CCSC[C@H](C(=O)[O-])C1 ZINC001601085248 1095497894 /nfs/dbraw/zinc/49/78/94/1095497894.db2.gz XVENYNQLJAPFTB-SNVBAGLBSA-N -1 0 341.230 2.575 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC001601083757 1095498153 /nfs/dbraw/zinc/49/81/53/1095498153.db2.gz QRBIPUWZYNPXLQ-HNNXBMFYSA-N -1 0 337.331 2.866 20 30 EFEDRM N#Cc1c(COC(=O)C[C@H]2OCc3ccccc32)cccc1C(=O)[O-] ZINC001601083562 1095498196 /nfs/dbraw/zinc/49/81/96/1095498196.db2.gz JMOWRTKGRHZXKV-QGZVFWFLSA-N -1 0 337.331 2.961 20 30 EFEDRM N#Cc1cc(C(=O)OCc2cc(Br)ccc2C(=O)[O-])c[nH]1 ZINC001601086941 1095499010 /nfs/dbraw/zinc/49/90/10/1095499010.db2.gz CAHXPRBVSUVVAI-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])ccn1 ZINC001601086314 1095499033 /nfs/dbraw/zinc/49/90/33/1095499033.db2.gz JJEXAGAJEZWWCQ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)ccc1Cl ZINC001601086145 1095499120 /nfs/dbraw/zinc/49/91/20/1095499120.db2.gz ZIUTVDBNSWPSHL-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])ccc1F ZINC001601085634 1095499136 /nfs/dbraw/zinc/49/91/36/1095499136.db2.gz GKJGEMDVLVLANS-CQSZACIVSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)ccc1F ZINC001601086289 1095499141 /nfs/dbraw/zinc/49/91/41/1095499141.db2.gz IAIGSAHEURTZFV-UHFFFAOYSA-N -1 0 346.339 2.782 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1Cl ZINC001601086532 1095499148 /nfs/dbraw/zinc/49/91/48/1095499148.db2.gz VDDHLMPQMGWMQY-HNNXBMFYSA-N -1 0 346.745 2.776 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)co1 ZINC001601086281 1095499199 /nfs/dbraw/zinc/49/91/99/1095499199.db2.gz HSHWUYUBMILALC-UHFFFAOYSA-N -1 0 325.324 2.702 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC001601086091 1095499255 /nfs/dbraw/zinc/49/92/55/1095499255.db2.gz WTVVPUMEPAMFFC-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c[nH]1 ZINC001601085559 1095499416 /nfs/dbraw/zinc/49/94/16/1095499416.db2.gz CIFUJQNLLUZSMZ-INIZCTEOSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CCC[C@@H](c3ccccc3)O2)c1=O ZINC001601086951 1095499538 /nfs/dbraw/zinc/49/95/38/1095499538.db2.gz CCZZDLMQFDWKFH-IRXDYDNUSA-N -1 0 338.363 2.729 20 30 EFEDRM N#Cc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001601085593 1095499566 /nfs/dbraw/zinc/49/95/66/1095499566.db2.gz DSYOGMORWDMHJK-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCCOc2ccc(Cl)cc2)c1=O ZINC001601087268 1095500237 /nfs/dbraw/zinc/50/02/37/1095500237.db2.gz IKHDZXRAAWXHTC-UHFFFAOYSA-N -1 0 332.743 2.541 20 30 EFEDRM N#Cc1cc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])ccn1 ZINC001601087321 1095500892 /nfs/dbraw/zinc/50/08/92/1095500892.db2.gz BQOQIHDSSQULMW-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1cc(Cl)ccc1S[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001601087950 1095500949 /nfs/dbraw/zinc/50/09/49/1095500949.db2.gz LYUSVTGMVIKVRM-CYBMUJFWSA-N -1 0 338.816 2.769 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC001601087421 1095501108 /nfs/dbraw/zinc/50/11/08/1095501108.db2.gz UTXCEPJHKRUOMJ-UHFFFAOYSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1cc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nc(C2CC2)n1 ZINC001601089566 1095501317 /nfs/dbraw/zinc/50/13/17/1095501317.db2.gz SAYUZBIESCHIPY-INIZCTEOSA-N -1 0 347.378 2.815 20 30 EFEDRM N#Cc1cc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ncn1 ZINC001601090429 1095502127 /nfs/dbraw/zinc/50/21/27/1095502127.db2.gz AQBLAXJWFHCJJF-MRXNPFEDSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])[nH]1 ZINC001601091924 1095502139 /nfs/dbraw/zinc/50/21/39/1095502139.db2.gz HFYSHAGKOCWEPC-INIZCTEOSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(F)cc1F ZINC001601090845 1095502305 /nfs/dbraw/zinc/50/23/05/1095502305.db2.gz XEWMZPVDBFCVMT-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001601091051 1095502431 /nfs/dbraw/zinc/50/24/31/1095502431.db2.gz JIDHUXOXJWNZJP-JKSUJKDBSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])[nH]1 ZINC001601091927 1095502569 /nfs/dbraw/zinc/50/25/69/1095502569.db2.gz HGDBGHDJBRDERN-OAHLLOKOSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001601090921 1095502614 /nfs/dbraw/zinc/50/26/14/1095502614.db2.gz AIDAQCFMJJNPNK-CQSZACIVSA-N -1 0 325.324 2.964 20 30 EFEDRM N#Cc1cc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC001601090078 1095502798 /nfs/dbraw/zinc/50/27/98/1095502798.db2.gz INRVLXLXGGIYAS-CHWSQXEVSA-N -1 0 343.364 2.833 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OC(F)(F)F ZINC001601090674 1095502995 /nfs/dbraw/zinc/50/29/95/1095502995.db2.gz NHRNEJQSKIFPEO-OCAPTIKFSA-N -1 0 328.246 2.506 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2)c1 ZINC001601089594 1095503092 /nfs/dbraw/zinc/50/30/92/1095503092.db2.gz NFUUGJDQRRJRLS-CYBMUJFWSA-N -1 0 344.386 2.832 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001601093732 1095503681 /nfs/dbraw/zinc/50/36/81/1095503681.db2.gz DYWYEWQTTNXGPA-UONOGXRCSA-N -1 0 344.754 2.745 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)nc1Cl ZINC001601092940 1095504151 /nfs/dbraw/zinc/50/41/51/1095504151.db2.gz DLAURFXHXGUVFP-UHFFFAOYSA-N -1 0 337.669 2.835 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001601092941 1095504508 /nfs/dbraw/zinc/50/45/08/1095504508.db2.gz UICQSSJAIKUUHD-XEZPLFJOSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)[nH]1 ZINC001601094186 1095504670 /nfs/dbraw/zinc/50/46/70/1095504670.db2.gz HVQKQFROSMPJTM-LBPRGKRZSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC001601093757 1095504682 /nfs/dbraw/zinc/50/46/82/1095504682.db2.gz FSNUEBALHANXST-CYBMUJFWSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC001601094945 1095505476 /nfs/dbraw/zinc/50/54/76/1095505476.db2.gz BWXHQDKXPCGXBW-RBUKOAKNSA-N -1 0 336.391 2.627 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCOc3cc(F)ccc3C2)cc1 ZINC001601095502 1095505701 /nfs/dbraw/zinc/50/57/01/1095505701.db2.gz SRILCKDXUXROSJ-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1NCCc1ncc(C(=O)[O-])s1 ZINC001601095414 1095505903 /nfs/dbraw/zinc/50/59/03/1095505903.db2.gz PTNSNJWGUIBGMF-UHFFFAOYSA-N -1 0 342.302 2.781 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001601094403 1095505933 /nfs/dbraw/zinc/50/59/33/1095505933.db2.gz VROGLNAPLSPRBQ-CJNGLKHVSA-N -1 0 338.363 2.844 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccc(Cl)nc2)C(=O)[O-])cc1 ZINC001601095771 1095506388 /nfs/dbraw/zinc/50/63/88/1095506388.db2.gz BYOAQZGBAOGKHQ-KZJSRBBCSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(Cc2cc(C(=O)[O-])cs2)c1=O ZINC001601095092 1095506640 /nfs/dbraw/zinc/50/66/40/1095506640.db2.gz GSCJVBWJMFBSSW-UHFFFAOYSA-N -1 0 328.271 2.547 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)nc1 ZINC001601094623 1095506910 /nfs/dbraw/zinc/50/69/10/1095506910.db2.gz PKJLPSNZZOSDMS-ZDUSSCGKSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)CCCC2)cc1 ZINC001601097232 1095507909 /nfs/dbraw/zinc/50/79/09/1095507909.db2.gz BWNAYTSSNMQRMC-MRXNPFEDSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C(=O)[O-])cc1 ZINC001601095981 1095508331 /nfs/dbraw/zinc/50/83/31/1095508331.db2.gz JMAOJARLPLCQPK-RQJABVFESA-N -1 0 335.306 2.909 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C2C[C@H]3CC[C@@H](C2)S3)C(=O)[O-])cc1 ZINC001601095892 1095508502 /nfs/dbraw/zinc/50/85/02/1095508502.db2.gz GUQUCBLJPCBSOV-JALIKCBVSA-N -1 0 331.393 2.901 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)cc1 ZINC001601098719 1095509532 /nfs/dbraw/zinc/50/95/32/1095509532.db2.gz XJOMMMYTVDOVJM-INIZCTEOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3nc4c(cccc4C(=O)[O-])[nH]3)CC2)cc1 ZINC001601097560 1095509559 /nfs/dbraw/zinc/50/95/59/1095509559.db2.gz JLEXPLNQUUTMOU-UHFFFAOYSA-N -1 0 346.346 2.803 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCc3cc(C(=O)[O-])co3)CCCC2)cc1 ZINC001601097304 1095509586 /nfs/dbraw/zinc/50/95/86/1095509586.db2.gz DRCZFNFJTIHJBE-UHFFFAOYSA-N -1 0 338.363 2.978 20 30 EFEDRM N#Cc1ccc(CCSCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001601098125 1095509665 /nfs/dbraw/zinc/50/96/65/1095509665.db2.gz RHZJRLVPHZYLKV-UHFFFAOYSA-N -1 0 346.452 2.738 20 30 EFEDRM N#Cc1ccc(CC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)cn1 ZINC001601098256 1095509875 /nfs/dbraw/zinc/50/98/75/1095509875.db2.gz KVWPBXIOPHYVOD-UHFFFAOYSA-N -1 0 335.363 2.780 20 30 EFEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001601098202 1095510146 /nfs/dbraw/zinc/51/01/46/1095510146.db2.gz UKDDHXWCPYSZLT-BETUJISGSA-N -1 0 340.301 2.560 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)cc1 ZINC001601098052 1095510336 /nfs/dbraw/zinc/51/03/36/1095510336.db2.gz SYRSWRKHYJCEKE-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccc(CN2CCN(Cc3csc(C(=O)[O-])c3)CC2)cc1 ZINC001601099485 1095511228 /nfs/dbraw/zinc/51/12/28/1095511228.db2.gz AXLVJFMKQDHWPK-UHFFFAOYSA-N -1 0 341.436 2.636 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3C4CCC3(C(=O)[O-])CC4)CCCC2)cc1 ZINC001601099269 1095511748 /nfs/dbraw/zinc/51/17/48/1095511748.db2.gz KYSVXJXJABTIKH-UHFFFAOYSA-N -1 0 338.407 2.978 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2scnc2C2CC2)C(=O)[O-])cc1 ZINC001601099583 1095512118 /nfs/dbraw/zinc/51/21/18/1095512118.db2.gz RIAWZNGIIQSHJD-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc1 ZINC001601099972 1095512216 /nfs/dbraw/zinc/51/22/16/1095512216.db2.gz UANFJWVHQIVJRZ-UHFFFAOYSA-N -1 0 348.362 2.564 20 30 EFEDRM N#Cc1ccc(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1Cl ZINC001601100681 1095512246 /nfs/dbraw/zinc/51/22/46/1095512246.db2.gz UIFUJBBVEBSMBS-ARJAWSKDSA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1F ZINC001601101254 1095512907 /nfs/dbraw/zinc/51/29/07/1095512907.db2.gz FWRZYQGJNIFZDX-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001601103113 1095513232 /nfs/dbraw/zinc/51/32/32/1095513232.db2.gz DCGNXPOSUOCFMK-LSDHHAIUSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCC2(C(=O)[O-])CCCC2)cc1Cl ZINC001601101387 1095513460 /nfs/dbraw/zinc/51/34/60/1095513460.db2.gz NTZQYNHTDQUYAP-UHFFFAOYSA-N -1 0 335.791 2.656 20 30 EFEDRM N#Cc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])nc1 ZINC001601101761 1095513700 /nfs/dbraw/zinc/51/37/00/1095513700.db2.gz ISEUMFVCDLJMGF-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601103501 1095514784 /nfs/dbraw/zinc/51/47/84/1095514784.db2.gz GOISTIKOBQXCFB-IBGZPJMESA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601103655 1095514890 /nfs/dbraw/zinc/51/48/90/1095514890.db2.gz VCDHKSYUSPXHQY-KLHDSHLOSA-N -1 0 345.420 2.834 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001601103661 1095514948 /nfs/dbraw/zinc/51/49/48/1095514948.db2.gz VFESRQOSFRSNDK-GJZGRUSLSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c([N+](=O)[O-])c1 ZINC001601104112 1095515362 /nfs/dbraw/zinc/51/53/62/1095515362.db2.gz CQMSETFCKGTSQU-JTQLQIEISA-N -1 0 344.352 2.615 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001601103995 1095515373 /nfs/dbraw/zinc/51/53/73/1095515373.db2.gz VVEHVRWOCNNHED-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(/C=C\C(=O)[O-])o3)CC2)cc1 ZINC001601106080 1095515455 /nfs/dbraw/zinc/51/54/55/1095515455.db2.gz NPPWLPSLJNUWEU-FPLPWBNLSA-N -1 0 337.379 2.571 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001601105387 1095515522 /nfs/dbraw/zinc/51/55/22/1095515522.db2.gz WSXMEMZWRYOQAS-DJIMGWMZSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1F ZINC001601107492 1095516120 /nfs/dbraw/zinc/51/61/20/1095516120.db2.gz RSJWMZICKDOBHL-UHFFFAOYSA-N -1 0 337.310 2.989 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC001601108635 1095516207 /nfs/dbraw/zinc/51/62/07/1095516207.db2.gz NIIOOBJZAYIHDZ-UWVGGRQHSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001601107145 1095516706 /nfs/dbraw/zinc/51/67/06/1095516706.db2.gz DCXPYKOCWVSEMT-LJQANCHMSA-N -1 0 335.363 2.818 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001601110263 1095517912 /nfs/dbraw/zinc/51/79/12/1095517912.db2.gz PNCNBLZVJFBWNE-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC001601110602 1095518077 /nfs/dbraw/zinc/51/80/77/1095518077.db2.gz AXNIGPSMQJAWPQ-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(OCC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001601110291 1095518142 /nfs/dbraw/zinc/51/81/42/1095518142.db2.gz RBUBMPPKXVVOPB-KRWDZBQOSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601110091 1095518720 /nfs/dbraw/zinc/51/87/20/1095518720.db2.gz HIPIAFMNJWPQTC-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001601109915 1095518853 /nfs/dbraw/zinc/51/88/53/1095518853.db2.gz BNDFMMFJIRMANW-CYBMUJFWSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601114949 1095519738 /nfs/dbraw/zinc/51/97/38/1095519738.db2.gz ZOSRLMFCZLNYPR-WFXMLNOXSA-N -1 0 346.386 2.920 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601114625 1095519811 /nfs/dbraw/zinc/51/98/11/1095519811.db2.gz VFRUOGPBOXYNKJ-ZJUUUORDSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1cccc(Br)c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601114543 1095519822 /nfs/dbraw/zinc/51/98/22/1095519822.db2.gz COICNWJJKNSQNA-NWDGAFQWSA-N -1 0 335.201 2.868 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001601114741 1095519877 /nfs/dbraw/zinc/51/98/77/1095519877.db2.gz GDRGWNHHOBAACY-KSSFIOAISA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@H]3CCCC[C@H]3C(=O)[O-])n2)c1 ZINC001601114554 1095520273 /nfs/dbraw/zinc/52/02/73/1095520273.db2.gz CTOBLOWZNKEQSN-ZBFHGGJFSA-N -1 0 339.351 2.544 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)O[C@H]3CCCC[C@@H]3C(=O)[O-])n2)c1 ZINC001601114553 1095520298 /nfs/dbraw/zinc/52/02/98/1095520298.db2.gz CTOBLOWZNKEQSN-HOCLYGCPSA-N -1 0 339.351 2.544 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(OCCCO)cc2)C(=O)[O-])c1 ZINC001601117831 1095521176 /nfs/dbraw/zinc/52/11/76/1095521176.db2.gz FQBJHZNVPAXGSE-QGZVFWFLSA-N -1 0 326.352 2.557 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(C(=O)[O-])n1 ZINC001601115781 1095521580 /nfs/dbraw/zinc/52/15/80/1095521580.db2.gz URJUBDBMLOVISD-LBPRGKRZSA-N -1 0 327.365 2.520 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)cc(F)c2N)C(=O)[O-])c1 ZINC001601117060 1095522310 /nfs/dbraw/zinc/52/23/10/1095522310.db2.gz BHDXAUFQQMEWNY-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cnc(CC3CC3)s2)C(=O)[O-])c1 ZINC001601117406 1095522464 /nfs/dbraw/zinc/52/24/64/1095522464.db2.gz KKOKECKJXHUFLD-OAHLLOKOSA-N -1 0 342.376 2.950 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)C(=O)[O-])c1 ZINC001601118355 1095523549 /nfs/dbraw/zinc/52/35/49/1095523549.db2.gz JMTILEANWRODJN-WBVHZDCISA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1cccc([C@@H](NC(=O)c2cc(C(=O)[O-])co2)C(F)(F)F)c1 ZINC001601118537 1095524285 /nfs/dbraw/zinc/52/42/85/1095524285.db2.gz JXMTWFCWTNJBCK-GFCCVEGCSA-N -1 0 338.241 2.883 20 30 EFEDRM N#Cc1cccc(NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601120676 1095524904 /nfs/dbraw/zinc/52/49/04/1095524904.db2.gz FFNTUINXZGKBHK-LJQANCHMSA-N -1 0 335.363 2.818 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCC3(CC(=O)[O-])CCCC3)CC2)c1 ZINC001601120486 1095525226 /nfs/dbraw/zinc/52/52/26/1095525226.db2.gz WMGQTMKPXXCPTL-UHFFFAOYSA-N -1 0 341.411 2.882 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CC2)c1 ZINC001601119987 1095525239 /nfs/dbraw/zinc/52/52/39/1095525239.db2.gz DAEZKNDTMRWMDF-UHFFFAOYSA-N -1 0 336.347 2.692 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3ccc(/C=C\C(=O)[O-])o3)CCO2)c1 ZINC001601120055 1095525354 /nfs/dbraw/zinc/52/53/54/1095525354.db2.gz GLACPZJPQPTZQA-MJRGOJFPSA-N -1 0 338.363 2.823 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2scnc2C2CC2)C(=O)[O-])c1 ZINC001601120570 1095525683 /nfs/dbraw/zinc/52/56/83/1095525683.db2.gz ZFWOUOKTQZTODL-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NCCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001601120163 1095525933 /nfs/dbraw/zinc/52/59/33/1095525933.db2.gz KAPKDXQBJQATDE-UHFFFAOYSA-N -1 0 334.375 2.647 20 30 EFEDRM N#Cc1cccc(C2(C(=O)OCc3ccccc3CC(=O)[O-])CC2)c1 ZINC001601119980 1095526036 /nfs/dbraw/zinc/52/60/36/1095526036.db2.gz CUUSHERDNJXFST-UHFFFAOYSA-N -1 0 335.359 2.960 20 30 EFEDRM N#Cc1cccc(CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001601121998 1095527147 /nfs/dbraw/zinc/52/71/47/1095527147.db2.gz ARUVEIBKOJSRAC-UHFFFAOYSA-N -1 0 338.338 2.523 20 30 EFEDRM N#Cc1cccc(CNC(=O)CSc2ccc(C(=O)[O-])cc2)c1 ZINC001601123279 1095527618 /nfs/dbraw/zinc/52/76/18/1095527618.db2.gz SPZPYMCOALTIGY-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001601121969 1095527657 /nfs/dbraw/zinc/52/76/57/1095527657.db2.gz ZOIMRLNECQCRRM-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1 ZINC001601124642 1095528720 /nfs/dbraw/zinc/52/87/20/1095528720.db2.gz PVNHKFPQIGNDOD-VCCANDMLSA-N -1 0 325.364 2.704 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001601124058 1095529313 /nfs/dbraw/zinc/52/93/13/1095529313.db2.gz BCALSOCEORGDMJ-JKSUJKDBSA-N -1 0 326.396 2.813 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001601124205 1095529603 /nfs/dbraw/zinc/52/96/03/1095529603.db2.gz GLPMRMBGPBQGLR-BBWFWOEESA-N -1 0 326.396 2.811 20 30 EFEDRM N#Cc1ccccc1NC1CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC001601126213 1095530547 /nfs/dbraw/zinc/53/05/47/1095530547.db2.gz YKMTVSMQPBBWBM-UHFFFAOYSA-N -1 0 342.424 2.789 20 30 EFEDRM N#Cc1cnc(Nc2ccc(OCCCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001601129993 1095532564 /nfs/dbraw/zinc/53/25/64/1095532564.db2.gz DQUHIQNQIFJWEL-UHFFFAOYSA-N -1 0 342.311 2.849 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601129525 1095532629 /nfs/dbraw/zinc/53/26/29/1095532629.db2.gz IJKFGWLZKXTBLB-VIFPVBQESA-N -1 0 348.409 2.796 20 30 EFEDRM N#Cc1cnn2ccn(Cc3cc(Br)ccc3C(=O)[O-])c12 ZINC001601130657 1095532830 /nfs/dbraw/zinc/53/28/30/1095532830.db2.gz JEFNMCLHOXXJRS-UHFFFAOYSA-N -1 0 345.156 2.516 20 30 EFEDRM N#Cc1cnc(NC[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001601130097 1095532853 /nfs/dbraw/zinc/53/28/53/1095532853.db2.gz JUJCWKSFOSJIFU-LBPRGKRZSA-N -1 0 346.184 2.996 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@]1(C(=O)[O-])CCOC1 ZINC001601129932 1095533005 /nfs/dbraw/zinc/53/30/05/1095533005.db2.gz AHWRUISVFJWLMR-MRXNPFEDSA-N -1 0 331.759 2.663 20 30 EFEDRM N#Cc1cnc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(F)c1 ZINC001601131051 1095534128 /nfs/dbraw/zinc/53/41/28/1095534128.db2.gz YTSHLSTXEJYCJG-SNVBAGLBSA-N -1 0 332.360 2.631 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001601133047 1095534278 /nfs/dbraw/zinc/53/42/78/1095534278.db2.gz JDZRRINBXPBWGJ-LBPRGKRZSA-N -1 0 329.253 2.522 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001601133537 1095534556 /nfs/dbraw/zinc/53/45/56/1095534556.db2.gz QHUMKEHLMHPPMW-ZDUSSCGKSA-N -1 0 345.362 2.589 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001601133168 1095534719 /nfs/dbraw/zinc/53/47/19/1095534719.db2.gz LAHBYIQQNZZXIO-ZDUSSCGKSA-N -1 0 325.343 2.860 20 30 EFEDRM N#Cc1cnnc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001601131358 1095534925 /nfs/dbraw/zinc/53/49/25/1095534925.db2.gz XMKYSXADYXFFHZ-QGZVFWFLSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1csc(CNc2ccc(C(=O)[O-])cc2OCC(F)F)n1 ZINC001601132443 1095535208 /nfs/dbraw/zinc/53/52/08/1095535208.db2.gz XBWXYCNJERCXNF-UHFFFAOYSA-N -1 0 339.323 2.969 20 30 EFEDRM N#Cc1nc(N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])ccc1C(F)(F)F ZINC001601134557 1095535843 /nfs/dbraw/zinc/53/58/43/1095535843.db2.gz UXXZBAUZYMPUOX-RWEMILLDSA-N -1 0 325.290 2.662 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1csc(-c2ccco2)n1 ZINC001601134576 1095536382 /nfs/dbraw/zinc/53/63/82/1095536382.db2.gz HSYQCGHEHHHDKL-UHFFFAOYSA-N -1 0 326.337 2.980 20 30 EFEDRM N#Cc1nn([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC001601136325 1095536766 /nfs/dbraw/zinc/53/67/66/1095536766.db2.gz NPNAPKJBYOHIHU-LLVKDONJSA-N -1 0 341.110 2.644 20 30 EFEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)n1 ZINC001601241536 1095572803 /nfs/dbraw/zinc/57/28/03/1095572803.db2.gz JCEYWEJTWMNMJQ-TWGQIWQCSA-N -1 0 338.363 2.513 20 30 EFEDRM O=C([O-])c1cccc(CON=CC(=O)Nc2ccccc2Cl)n1 ZINC001601246315 1095576437 /nfs/dbraw/zinc/57/64/37/1095576437.db2.gz UPCAXOWRQNRXBB-UHFFFAOYSA-N -1 0 333.731 2.574 20 30 EFEDRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001601615685 1095765404 /nfs/dbraw/zinc/76/54/04/1095765404.db2.gz FVHUTGAJHSCRMS-QZTJIDSGSA-N -1 0 349.390 2.856 20 30 EFEDRM O=C([O-])[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001601637821 1095777361 /nfs/dbraw/zinc/77/73/61/1095777361.db2.gz FIHGEAXALQRVLP-SSDOTTSWSA-N -1 0 347.186 2.578 20 30 EFEDRM O=C([O-])[C@H](C[C@@H]1CCCO1)/N=C/c1cc(Br)ccc1O ZINC001601646174 1095782903 /nfs/dbraw/zinc/78/29/03/1095782903.db2.gz LIFYHPXYNXEUHN-HELSFGJNSA-N -1 0 342.189 2.596 20 30 EFEDRM CC(N=Nc1nc(-c2ccncc2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000749607887 1095795149 /nfs/dbraw/zinc/79/51/49/1095795149.db2.gz DLWXRNDJKUJONU-UHFFFAOYSA-N -1 0 340.299 2.582 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC001602080646 1096048872 /nfs/dbraw/zinc/04/88/72/1096048872.db2.gz ZLSVKQTVSMMLRY-WTKPLQERSA-N -1 0 327.292 2.954 20 30 EFEDRM O=C([O-])c1cc(C=NNCc2ccc(F)cc2F)n2c1CCCC2 ZINC001602254656 1096140767 /nfs/dbraw/zinc/14/07/67/1096140767.db2.gz IIVOXXCIMVSGHF-UHFFFAOYSA-N -1 0 333.338 2.925 20 30 EFEDRM O=C([O-])c1ccc(C=NNC2CCSCC2)cc1Br ZINC001602330960 1096182648 /nfs/dbraw/zinc/18/26/48/1096182648.db2.gz JDUMLIDZLJVKET-UHFFFAOYSA-N -1 0 343.246 2.966 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2F)o1 ZINC001602332564 1096183436 /nfs/dbraw/zinc/18/34/36/1096183436.db2.gz CPVWPLWQFVZFEX-UHFFFAOYSA-N -1 0 332.316 2.546 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc3c2OCC3)C(=O)O1 ZINC000782880832 1096196983 /nfs/dbraw/zinc/19/69/83/1096196983.db2.gz PAQHHCVNRALFOT-XYBNCVKDSA-N -1 0 332.739 2.503 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc3c2OCC3)C(=O)O1 ZINC000782880829 1096197516 /nfs/dbraw/zinc/19/75/16/1096197516.db2.gz PAQHHCVNRALFOT-GWQWAINWSA-N -1 0 332.739 2.503 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C=Nn2cc(Br)cn2)c1 ZINC001602358156 1096203216 /nfs/dbraw/zinc/20/32/16/1096203216.db2.gz QGFDGDNZWWKUCJ-UHFFFAOYSA-N -1 0 328.553 2.879 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCC#Cc1ccccc1)CC2 ZINC001602419530 1096234313 /nfs/dbraw/zinc/23/43/13/1096234313.db2.gz HLRXGWAUPNSNQD-UHFFFAOYSA-N -1 0 334.375 2.504 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@H]2CC23CCSCC3)c1 ZINC001602430757 1096240985 /nfs/dbraw/zinc/24/09/85/1096240985.db2.gz PFECFTUBALAKEY-HNNXBMFYSA-N -1 0 330.405 2.813 20 30 EFEDRM O=C([O-])c1cccc(Br)c1CON=C[C@H]1CCCO1 ZINC001602430386 1096241229 /nfs/dbraw/zinc/24/12/29/1096241229.db2.gz HWRKBRLROOJLTC-SECBINFHSA-N -1 0 328.162 2.829 20 30 EFEDRM O=C([O-])c1cnc([C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)s1 ZINC001602509221 1096274480 /nfs/dbraw/zinc/27/44/80/1096274480.db2.gz DSCFZUUFIAYKSY-AWEZNQCLSA-N -1 0 340.404 2.599 20 30 EFEDRM O=C([O-])c1occc1C=N[N-]c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001602587717 1096308612 /nfs/dbraw/zinc/30/86/12/1096308612.db2.gz CVVKSPBMNAIXLY-UHFFFAOYSA-N -1 0 348.322 2.553 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001602672407 1096344244 /nfs/dbraw/zinc/34/42/44/1096344244.db2.gz CKIHNANUPBCELE-UKRRQHHQSA-N -1 0 334.803 2.814 20 30 EFEDRM C#C[C@](C)(CC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001602669784 1096344280 /nfs/dbraw/zinc/34/42/80/1096344280.db2.gz BKSQAGZLQWPWBD-QGZVFWFLSA-N -1 0 331.393 2.618 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001602669912 1096344620 /nfs/dbraw/zinc/34/46/20/1096344620.db2.gz HSRQGUIXAUURAL-UHFFFAOYSA-N -1 0 339.189 2.989 20 30 EFEDRM C#C[C@@](C)(CC)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001602670153 1096344763 /nfs/dbraw/zinc/34/47/63/1096344763.db2.gz NKFHUKXQQCHBGD-SFHVURJKSA-N -1 0 340.383 2.802 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001602674552 1096346399 /nfs/dbraw/zinc/34/63/99/1096346399.db2.gz RJEYLXFLTANITM-ZDUSSCGKSA-N -1 0 329.743 2.929 20 30 EFEDRM C#C[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)[C@H]1CCCO1 ZINC001602677747 1096348280 /nfs/dbraw/zinc/34/82/80/1096348280.db2.gz AVPUROQMNCBNJH-SJLPKXTDSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001602678929 1096348624 /nfs/dbraw/zinc/34/86/24/1096348624.db2.gz SHDVWDXWFAYUQN-CQSZACIVSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@H](Nc1nccc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001602678240 1096348657 /nfs/dbraw/zinc/34/86/57/1096348657.db2.gz KUJGNNWOYMNLLU-NSHDSACASA-N -1 0 332.157 2.724 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001602684889 1096349495 /nfs/dbraw/zinc/34/94/95/1096349495.db2.gz ITTUADYPFLNVEQ-QGZVFWFLSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CC[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001602687422 1096349552 /nfs/dbraw/zinc/34/95/52/1096349552.db2.gz NGVAEGVOAWUKPJ-QGZVFWFLSA-N -1 0 337.375 2.715 20 30 EFEDRM C#CCC(CC#C)C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001602683986 1096349957 /nfs/dbraw/zinc/34/99/57/1096349957.db2.gz WVDDNRSULONZRI-UHFFFAOYSA-N -1 0 334.755 2.623 20 30 EFEDRM C#C[C@H](NC(=O)c1csc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC001602689245 1096350704 /nfs/dbraw/zinc/35/07/04/1096350704.db2.gz POMGCQOXQRWFKR-LBPRGKRZSA-N -1 0 343.799 2.686 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC001602688665 1096350782 /nfs/dbraw/zinc/35/07/82/1096350782.db2.gz SSJLPBQMRSQRNX-UHFFFAOYSA-N -1 0 343.408 2.979 20 30 EFEDRM C#CC[C@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001602692802 1096351308 /nfs/dbraw/zinc/35/13/08/1096351308.db2.gz SRVJQYXRFACETP-SFHVURJKSA-N -1 0 336.391 2.878 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001602691494 1096351600 /nfs/dbraw/zinc/35/16/00/1096351600.db2.gz YTAOVXZJLOPRTD-KRWDZBQOSA-N -1 0 349.438 2.693 20 30 EFEDRM C#CC[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001602692503 1096351649 /nfs/dbraw/zinc/35/16/49/1096351649.db2.gz NYQLBCFDNBUOBW-GOSISDBHSA-N -1 0 336.391 2.991 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1 ZINC001602689455 1096351894 /nfs/dbraw/zinc/35/18/94/1096351894.db2.gz RHHVEZUMJHJLLJ-OAHLLOKOSA-N -1 0 336.330 2.502 20 30 EFEDRM C#C[C@@H](Nc1nnc(C)c(C)c1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC001602690940 1096352190 /nfs/dbraw/zinc/35/21/90/1096352190.db2.gz NABBLYBLLNTVQY-CYBMUJFWSA-N -1 0 339.790 2.713 20 30 EFEDRM C#CCC1(C(=O)OCC(=O)Nc2ccsc2C(=O)[O-])CCCCC1 ZINC001602698373 1096352723 /nfs/dbraw/zinc/35/27/23/1096352723.db2.gz DPYKATNTBCWTBC-UHFFFAOYSA-N -1 0 349.408 2.902 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001602701557 1096353228 /nfs/dbraw/zinc/35/32/28/1096353228.db2.gz NMVNBEQPTIGVIU-CQSZACIVSA-N -1 0 341.411 2.862 20 30 EFEDRM C#CCCCc1nnc(N2CCc3cccc(C(=O)[O-])c3C2)n1CC ZINC001602710802 1096354597 /nfs/dbraw/zinc/35/45/97/1096354597.db2.gz PHKFIUOGAFVUSL-UHFFFAOYSA-N -1 0 338.411 2.515 20 30 EFEDRM C#CCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001602711303 1096355015 /nfs/dbraw/zinc/35/50/15/1096355015.db2.gz CPEXZYUKDFYQCN-JFUPDXTOSA-N -1 0 340.423 2.962 20 30 EFEDRM C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602705254 1096355493 /nfs/dbraw/zinc/35/54/93/1096355493.db2.gz KVXRJJOHCQUJRO-INIZCTEOSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCCOC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001602708595 1096355592 /nfs/dbraw/zinc/35/55/92/1096355592.db2.gz XGYWHTJYOGBTTI-LBPRGKRZSA-N -1 0 340.173 2.714 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001602730430 1096356174 /nfs/dbraw/zinc/35/61/74/1096356174.db2.gz IUUIQCARYOLTDB-HNNXBMFYSA-N -1 0 348.374 2.993 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001602730414 1096356909 /nfs/dbraw/zinc/35/69/09/1096356909.db2.gz HUZGUXZAQHGZCC-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C(C)C ZINC001602715895 1096356975 /nfs/dbraw/zinc/35/69/75/1096356975.db2.gz WLUYIZFXOLDBLE-UHFFFAOYSA-N -1 0 334.441 2.607 20 30 EFEDRM C#CCN(CC(=O)Nc1ccc(C)cc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001602715781 1096357263 /nfs/dbraw/zinc/35/72/63/1096357263.db2.gz RYDVSJYPDRWPLW-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCO[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001602725336 1096357272 /nfs/dbraw/zinc/35/72/72/1096357272.db2.gz AHAMGQAZBJJGPO-RNCFNFMXSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001602730370 1096357406 /nfs/dbraw/zinc/35/74/06/1096357406.db2.gz DUBNAGCYFWNOOY-UHFFFAOYSA-N -1 0 335.359 2.595 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001602734059 1096357710 /nfs/dbraw/zinc/35/77/10/1096357710.db2.gz INTYKROWAXOOTQ-AUUYWEPGSA-N -1 0 342.395 2.807 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602734579 1096357863 /nfs/dbraw/zinc/35/78/63/1096357863.db2.gz QUFLEIJGAJFARV-UHFFFAOYSA-N -1 0 330.365 2.780 20 30 EFEDRM C#CCOc1ccccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001602734183 1096358368 /nfs/dbraw/zinc/35/83/68/1096358368.db2.gz GPPIUCUWNJQONW-UHFFFAOYSA-N -1 0 340.291 2.557 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001602734392 1096358801 /nfs/dbraw/zinc/35/88/01/1096358801.db2.gz RWWLWKDTONUXNL-YVMONPNESA-N -1 0 329.283 2.781 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001602734016 1096358805 /nfs/dbraw/zinc/35/88/05/1096358805.db2.gz FGIYSLWFLBSZFN-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cn1 ZINC001602738712 1096359371 /nfs/dbraw/zinc/35/93/71/1096359371.db2.gz LGAUPARZQXECLT-OAHLLOKOSA-N -1 0 329.739 2.569 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(Cl)c1 ZINC001602738912 1096359465 /nfs/dbraw/zinc/35/94/65/1096359465.db2.gz RTBUMGGZHVLXLD-UHFFFAOYSA-N -1 0 331.759 2.544 20 30 EFEDRM C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC001602739285 1096359519 /nfs/dbraw/zinc/35/95/19/1096359519.db2.gz AIFOIPWKIWGCLG-XYPYZODXSA-N -1 0 341.816 2.509 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cn1 ZINC001602739972 1096359687 /nfs/dbraw/zinc/35/96/87/1096359687.db2.gz USHUTUHWHSQNNJ-ZDUSSCGKSA-N -1 0 341.392 2.503 20 30 EFEDRM C#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c(Cl)c1 ZINC001602738612 1096359891 /nfs/dbraw/zinc/35/98/91/1096359891.db2.gz IKLMKYPBQDSXCO-ZAZJYDDPSA-N -1 0 332.787 2.942 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001602738235 1096360005 /nfs/dbraw/zinc/36/00/05/1096360005.db2.gz PVKPQQWNNVSFMI-AVGNSLFASA-N -1 0 348.374 2.991 20 30 EFEDRM C#Cc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)nc1 ZINC001602739325 1096360042 /nfs/dbraw/zinc/36/00/42/1096360042.db2.gz BYPXUWPVRSDVNB-MRXNPFEDSA-N -1 0 334.375 2.611 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC001602739372 1096360156 /nfs/dbraw/zinc/36/01/56/1096360156.db2.gz FRIMQZUCJLFWJP-FQEVSTJZSA-N -1 0 337.375 2.796 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2ccc(OCC)c(F)c2C(=O)[O-])c1 ZINC001602744483 1096360362 /nfs/dbraw/zinc/36/03/62/1096360362.db2.gz ADEJLITVAPGCBI-UHFFFAOYSA-N -1 0 328.299 2.551 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001602744509 1096360416 /nfs/dbraw/zinc/36/04/16/1096360416.db2.gz BTKKCCXBRQKEOR-UHFFFAOYSA-N -1 0 331.141 2.862 20 30 EFEDRM C=C(Br)COC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001602744767 1096361828 /nfs/dbraw/zinc/36/18/28/1096361828.db2.gz MWCQPKPNOKRKFV-BXUZGUMPSA-N -1 0 325.158 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC001602754745 1096362860 /nfs/dbraw/zinc/36/28/60/1096362860.db2.gz SXGNUERMLOXRNM-LLVKDONJSA-N -1 0 326.736 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC001602754775 1096363913 /nfs/dbraw/zinc/36/39/13/1096363913.db2.gz UUUVUDAESKZHHA-HNNXBMFYSA-N -1 0 346.408 2.871 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602758016 1096364406 /nfs/dbraw/zinc/36/44/06/1096364406.db2.gz ZXBAQGDLMCRIFI-SNVBAGLBSA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)C[C@@H]1NC(=O)N([C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602757751 1096364532 /nfs/dbraw/zinc/36/45/32/1096364532.db2.gz VQCUHNZUDPNRJZ-UONOGXRCSA-N -1 0 330.384 2.725 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(OC)c(C(C)C)c(OC)c1)C(=O)[O-] ZINC001602754910 1096364706 /nfs/dbraw/zinc/36/47/06/1096364706.db2.gz ZPYGULCERZDHMY-ZDUSSCGKSA-N -1 0 335.400 2.976 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001602761743 1096364723 /nfs/dbraw/zinc/36/47/23/1096364723.db2.gz BLFHKMMSMNPKHU-CQSZACIVSA-N -1 0 330.428 2.556 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)C(=O)[O-] ZINC001602755250 1096365097 /nfs/dbraw/zinc/36/50/97/1096365097.db2.gz MDGJRMJGKYGGEO-VIFPVBQESA-N -1 0 343.836 2.546 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1sc(-c2c(C)noc2C)nc1C)C(=O)[O-] ZINC001602755216 1096365149 /nfs/dbraw/zinc/36/51/49/1096365149.db2.gz LMEWQXLTMJMMDG-NSHDSACASA-N -1 0 349.412 2.873 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602755278 1096365251 /nfs/dbraw/zinc/36/52/51/1096365251.db2.gz NFOPIPUJSKJNQD-LMVHVUTASA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccccc1C(=O)[O-] ZINC001602761810 1096365755 /nfs/dbraw/zinc/36/57/55/1096365755.db2.gz DZJACYLCBJSHDF-UHFFFAOYSA-N -1 0 329.352 2.689 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602765797 1096366057 /nfs/dbraw/zinc/36/60/57/1096366057.db2.gz JXRPNSZDGQJHOP-ZDUSSCGKSA-N -1 0 344.390 2.961 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001602765747 1096366099 /nfs/dbraw/zinc/36/60/99/1096366099.db2.gz ILKOGZYRDFYVBJ-SFHVURJKSA-N -1 0 344.390 2.833 20 30 EFEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602766061 1096366193 /nfs/dbraw/zinc/36/61/93/1096366193.db2.gz TZGOAKFENGKBKO-LSDHHAIUSA-N -1 0 342.399 2.661 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001602771378 1096367218 /nfs/dbraw/zinc/36/72/18/1096367218.db2.gz UGUIHJKZHLSGDE-HBUWYVDXSA-N -1 0 346.431 2.550 20 30 EFEDRM C=C(C)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C(C#N)(CC)CC ZINC001602771550 1096367403 /nfs/dbraw/zinc/36/74/03/1096367403.db2.gz YHMTWSMRXOZDRI-UHFFFAOYSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001602772423 1096367582 /nfs/dbraw/zinc/36/75/82/1096367582.db2.gz XTPAOGZBGRSBAA-NOZJJQNGSA-N -1 0 325.748 2.664 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602768750 1096367589 /nfs/dbraw/zinc/36/75/89/1096367589.db2.gz MCMSKYNGLRUTEN-FLTUCWPJSA-N -1 0 330.432 2.669 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602769388 1096367648 /nfs/dbraw/zinc/36/76/48/1096367648.db2.gz WWQWQIVBJSRXEP-CQSZACIVSA-N -1 0 330.432 2.979 20 30 EFEDRM C=C1CC(C)(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C1 ZINC001602773359 1096367757 /nfs/dbraw/zinc/36/77/57/1096367757.db2.gz WJVOOENXWWNKKD-UHFFFAOYSA-N -1 0 327.388 2.949 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001602774452 1096368004 /nfs/dbraw/zinc/36/80/04/1096368004.db2.gz LOJUGIIUIQTQIU-KRWDZBQOSA-N -1 0 345.374 2.528 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CCCO1 ZINC001602771554 1096368089 /nfs/dbraw/zinc/36/80/89/1096368089.db2.gz YRCWVSVRKIDZIE-ZWKOTPCHSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C[C@H](C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001602780974 1096368651 /nfs/dbraw/zinc/36/86/51/1096368651.db2.gz VBNLBEFRHVIPSB-FUHWJXTLSA-N -1 0 345.406 2.940 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001602776365 1096369109 /nfs/dbraw/zinc/36/91/09/1096369109.db2.gz PNSTVLZTGLNOEG-UHFFFAOYSA-N -1 0 335.425 2.560 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001602775688 1096369631 /nfs/dbraw/zinc/36/96/31/1096369631.db2.gz HQARVKBKJQPDEM-INIZCTEOSA-N -1 0 344.411 2.750 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC001602783754 1096370267 /nfs/dbraw/zinc/37/02/67/1096370267.db2.gz ZISHFUPOTSVJIG-INIZCTEOSA-N -1 0 342.395 2.648 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1OCCOC ZINC001602785792 1096370562 /nfs/dbraw/zinc/37/05/62/1096370562.db2.gz JNHXFICSFYKZDT-UHFFFAOYSA-N -1 0 327.764 2.725 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001602784571 1096370696 /nfs/dbraw/zinc/37/06/96/1096370696.db2.gz VVSCUPYOOFQEKY-QGZVFWFLSA-N -1 0 330.428 2.578 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC001602784595 1096370751 /nfs/dbraw/zinc/37/07/51/1096370751.db2.gz XDGGMQSDYRGEAG-UHFFFAOYSA-N -1 0 331.290 2.665 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC001602785791 1096370929 /nfs/dbraw/zinc/37/09/29/1096370929.db2.gz JMQPQZRMQLCNBS-INIZCTEOSA-N -1 0 347.411 2.682 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001602782485 1096371142 /nfs/dbraw/zinc/37/11/42/1096371142.db2.gz MUGFDZKGZGQYIO-UHFFFAOYSA-N -1 0 345.395 2.764 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1cccc(Br)c1 ZINC001602784373 1096371246 /nfs/dbraw/zinc/37/12/46/1096371246.db2.gz RFLBZVUFBJAPHS-UHFFFAOYSA-N -1 0 326.190 2.529 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001602791892 1096371946 /nfs/dbraw/zinc/37/19/46/1096371946.db2.gz DILASNOOSRXWSF-DHZHZOJOSA-N -1 0 335.425 2.809 20 30 EFEDRM C=C1CN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)C1 ZINC001602796485 1096372196 /nfs/dbraw/zinc/37/21/96/1096372196.db2.gz RLDLPZZATJLNNU-UHFFFAOYSA-N -1 0 339.395 2.518 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001602791435 1096372288 /nfs/dbraw/zinc/37/22/88/1096372288.db2.gz PHWMYZXUKNUAQE-OKILXGFUSA-N -1 0 330.384 2.786 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001602807544 1096373225 /nfs/dbraw/zinc/37/32/25/1096373225.db2.gz PSTZUBNDZSFCEZ-GFCCVEGCSA-N -1 0 332.400 2.532 20 30 EFEDRM C=C[C@H](C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001602803617 1096373239 /nfs/dbraw/zinc/37/32/39/1096373239.db2.gz FSFMQZNTEXAABE-IRXDYDNUSA-N -1 0 343.354 2.744 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC001602803393 1096373411 /nfs/dbraw/zinc/37/34/11/1096373411.db2.gz BINDMHBQJRESNK-AWEZNQCLSA-N -1 0 344.436 2.607 20 30 EFEDRM C=C[C@@H](C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001602803616 1096373655 /nfs/dbraw/zinc/37/36/55/1096373655.db2.gz FSFMQZNTEXAABE-IAGOWNOFSA-N -1 0 343.354 2.744 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602807493 1096373926 /nfs/dbraw/zinc/37/39/26/1096373926.db2.gz NDNSAXVVTRTUIG-UHFFFAOYSA-N -1 0 348.424 2.814 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001602810215 1096375973 /nfs/dbraw/zinc/37/59/73/1096375973.db2.gz VDNRXYYIZOQMBA-GPMSIDNRSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccccc1CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001602826618 1096376848 /nfs/dbraw/zinc/37/68/48/1096376848.db2.gz FGMRSZVSYPCUIF-CYBMUJFWSA-N -1 0 335.356 2.507 20 30 EFEDRM C=C[C@@H](OC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602826443 1096377129 /nfs/dbraw/zinc/37/71/29/1096377129.db2.gz BHNHLKBJRJRELA-CYBMUJFWSA-N -1 0 335.356 2.759 20 30 EFEDRM C=C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)[O-] ZINC001602828354 1096378095 /nfs/dbraw/zinc/37/80/95/1096378095.db2.gz CPPVMQMQCDDDCW-GFCCVEGCSA-N -1 0 330.344 2.686 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001602836067 1096381322 /nfs/dbraw/zinc/38/13/22/1096381322.db2.gz DNJDUFQSEUOSKV-GFCCVEGCSA-N -1 0 332.400 2.532 20 30 EFEDRM C=CC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001602836585 1096381529 /nfs/dbraw/zinc/38/15/29/1096381529.db2.gz YOTPLPXPEGFDFB-SECBINFHSA-N -1 0 341.205 2.911 20 30 EFEDRM C=CC[C@H](OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001602845805 1096382569 /nfs/dbraw/zinc/38/25/69/1096382569.db2.gz XEIYKLJVPLOJNH-HNAYVOBHSA-N -1 0 345.395 2.501 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccncc1 ZINC001602842845 1096382766 /nfs/dbraw/zinc/38/27/66/1096382766.db2.gz QOBDVPBKKHEXCZ-INIZCTEOSA-N -1 0 342.399 2.543 20 30 EFEDRM C=CC[C@@H](N[C@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602841796 1096382812 /nfs/dbraw/zinc/38/28/12/1096382812.db2.gz GRZGWFQYTSEMAD-QZTJIDSGSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CCC(F)(F)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001602843181 1096383441 /nfs/dbraw/zinc/38/34/41/1096383441.db2.gz WTJLBDZKKNLBLD-UHFFFAOYSA-N -1 0 333.281 2.980 20 30 EFEDRM C=CC[C@H](Cn1c(C)nnc1N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602842620 1096383477 /nfs/dbraw/zinc/38/34/77/1096383477.db2.gz MLFLSOHYFGJPAI-IAGOWNOFSA-N -1 0 340.427 2.857 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001602845570 1096383518 /nfs/dbraw/zinc/38/35/18/1096383518.db2.gz RAXOIKOFNUTIBM-IINYFYTJSA-N -1 0 337.397 2.698 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001602845804 1096383526 /nfs/dbraw/zinc/38/35/26/1096383526.db2.gz XEIYKLJVPLOJNH-DNVCBOLYSA-N -1 0 345.395 2.501 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])oc2CC)CCCC1 ZINC001602851568 1096383986 /nfs/dbraw/zinc/38/39/86/1096383986.db2.gz QEZRVIDZFHEZGB-UHFFFAOYSA-N -1 0 341.429 2.955 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CCCC1 ZINC001602851501 1096383992 /nfs/dbraw/zinc/38/39/92/1096383992.db2.gz OEJFZIIGPFUTFB-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM C=CCC1(C(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)CCCC1 ZINC001602849730 1096384088 /nfs/dbraw/zinc/38/40/88/1096384088.db2.gz OCSOAVULQSRPBV-IBGZPJMESA-N -1 0 335.444 2.731 20 30 EFEDRM C=CC[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)[O-] ZINC001602850132 1096384127 /nfs/dbraw/zinc/38/41/27/1096384127.db2.gz UENQHCBMZREWOI-JTQLQIEISA-N -1 0 336.438 2.605 20 30 EFEDRM C=CCC1(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC001602850308 1096384333 /nfs/dbraw/zinc/38/43/33/1096384333.db2.gz WQRFDOYOZQCBQX-GOSISDBHSA-N -1 0 332.396 2.945 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001602851209 1096384716 /nfs/dbraw/zinc/38/47/16/1096384716.db2.gz DPRGMHMJZQCGDS-ZDUSSCGKSA-N -1 0 332.400 2.810 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2ccsc2C(=O)[O-])CCCC1 ZINC001602851651 1096384857 /nfs/dbraw/zinc/38/48/57/1096384857.db2.gz SLOKHZDDIHWOMR-UHFFFAOYSA-N -1 0 329.443 2.861 20 30 EFEDRM C=CCC1(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC001602850309 1096384920 /nfs/dbraw/zinc/38/49/20/1096384920.db2.gz WQRFDOYOZQCBQX-SFHVURJKSA-N -1 0 332.396 2.945 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C1 ZINC001602855279 1096386090 /nfs/dbraw/zinc/38/60/90/1096386090.db2.gz LLENWUCZUBVXQF-LBPRGKRZSA-N -1 0 341.404 2.809 20 30 EFEDRM C=CC[C@@H]1N(S(=O)(=O)CC2(C(=O)[O-])CCC2)CCCC1(C)C ZINC001602855728 1096386332 /nfs/dbraw/zinc/38/63/32/1096386332.db2.gz YKVWKJGIMWSBOL-ZDUSSCGKSA-N -1 0 329.462 2.638 20 30 EFEDRM C=CCCC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860578 1096386872 /nfs/dbraw/zinc/38/68/72/1096386872.db2.gz IFSRJRACBNUUHN-MSOLQXFVSA-N -1 0 344.455 2.601 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602857689 1096387149 /nfs/dbraw/zinc/38/71/49/1096387149.db2.gz VIFFQZXQFQNSRS-UHFFFAOYSA-N -1 0 348.424 2.956 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC001602865493 1096388808 /nfs/dbraw/zinc/38/88/08/1096388808.db2.gz LKZQSDWVSLPVAL-HNNXBMFYSA-N -1 0 345.355 2.544 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC001602869581 1096388836 /nfs/dbraw/zinc/38/88/36/1096388836.db2.gz CKHNVNJACBCXNR-CQSZACIVSA-N -1 0 331.347 2.755 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602862484 1096389219 /nfs/dbraw/zinc/38/92/19/1096389219.db2.gz FPPGQUIMCYTNII-SUMWQHHRSA-N -1 0 331.412 2.868 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001602869512 1096389306 /nfs/dbraw/zinc/38/93/06/1096389306.db2.gz BWYTXBKGQACUGA-LBPRGKRZSA-N -1 0 332.312 2.880 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2cncc(C(=O)[O-])c2)CCCC1 ZINC001602860861 1096389746 /nfs/dbraw/zinc/38/97/46/1096389746.db2.gz SKZYXUMMIYSIDI-UHFFFAOYSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC001602865618 1096389865 /nfs/dbraw/zinc/38/98/65/1096389865.db2.gz NNDJFAOQLZLQOE-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001602863869 1096389872 /nfs/dbraw/zinc/38/98/72/1096389872.db2.gz URZUDEUZXFGDRI-STQMWFEESA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(=O)[O-] ZINC001602873026 1096390200 /nfs/dbraw/zinc/39/02/00/1096390200.db2.gz OYXXZOZANURJMO-INIZCTEOSA-N -1 0 335.425 2.703 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC001602873014 1096390264 /nfs/dbraw/zinc/39/02/64/1096390264.db2.gz OQORZULESHIOKN-JTQLQIEISA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(NCC)c(Cl)c1)C(=O)[O-] ZINC001602872287 1096390285 /nfs/dbraw/zinc/39/02/85/1096390285.db2.gz HKCKXHXRIKGEGO-LBPRGKRZSA-N -1 0 325.796 2.706 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)ccc2cccnc21)C(=O)[O-] ZINC001602873301 1096390601 /nfs/dbraw/zinc/39/06/01/1096390601.db2.gz UWMOGOWGZOCDQL-CQSZACIVSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCCN(CC)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001602874799 1096390606 /nfs/dbraw/zinc/39/06/06/1096390606.db2.gz AMVYXQHBYIREJJ-UHFFFAOYSA-N -1 0 330.388 2.941 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC001602872822 1096390645 /nfs/dbraw/zinc/39/06/45/1096390645.db2.gz OCPIADBHJCWZNE-VIFPVBQESA-N -1 0 337.850 2.798 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(C)ccc1Cl)C(=O)[O-] ZINC001602873277 1096390742 /nfs/dbraw/zinc/39/07/42/1096390742.db2.gz UIDXRBUKCKCXKW-LBPRGKRZSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)OCC)cc1)C(=O)[O-] ZINC001602872836 1096390778 /nfs/dbraw/zinc/39/07/78/1096390778.db2.gz WSIDNTVAOVJEFH-CQSZACIVSA-N -1 0 334.372 2.794 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001602875089 1096390956 /nfs/dbraw/zinc/39/09/56/1096390956.db2.gz VROSYBZQXDYKFB-UHFFFAOYSA-N -1 0 329.393 2.809 20 30 EFEDRM C=CCCSCCNC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001602880747 1096391585 /nfs/dbraw/zinc/39/15/85/1096391585.db2.gz BCQTWPJIOCYFAM-UHFFFAOYSA-N -1 0 337.445 2.882 20 30 EFEDRM C=CCCn1cc(C(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)nn1 ZINC001602884375 1096391629 /nfs/dbraw/zinc/39/16/29/1096391629.db2.gz ADACCCRBCIBNGP-UHFFFAOYSA-N -1 0 335.747 2.563 20 30 EFEDRM C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001602884722 1096391975 /nfs/dbraw/zinc/39/19/75/1096391975.db2.gz QIJNMWSGJSUDPD-HIFRSBDPSA-N -1 0 344.411 2.503 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001602891020 1096393761 /nfs/dbraw/zinc/39/37/61/1096393761.db2.gz QRLTXHQIDWHVPM-UHFFFAOYSA-N -1 0 345.420 2.804 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccccc2OC(F)F)C(C(=O)[O-])=C1C ZINC001602898169 1096393917 /nfs/dbraw/zinc/39/39/17/1096393917.db2.gz LLGUZDNCNZKXBB-CYBMUJFWSA-N -1 0 338.310 2.899 20 30 EFEDRM C=CCN(CCc1ccco1)[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001602893728 1096394021 /nfs/dbraw/zinc/39/40/21/1096394021.db2.gz JHLDGMZHFLLABM-KRWDZBQOSA-N -1 0 343.379 2.923 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(C(=O)[O-])=C1C ZINC001602898268 1096394167 /nfs/dbraw/zinc/39/41/67/1096394167.db2.gz NUBLVLFVJGQUID-CYBMUJFWSA-N -1 0 338.310 2.899 20 30 EFEDRM C=CCN(CCCCC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1 ZINC001602890750 1096394179 /nfs/dbraw/zinc/39/41/79/1096394179.db2.gz HCMRTAFZEIJMSD-UHFFFAOYSA-N -1 0 331.821 2.772 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)C1 ZINC001602906277 1096396771 /nfs/dbraw/zinc/39/67/71/1096396771.db2.gz CUKHGCAJPBOYEM-CYBMUJFWSA-N -1 0 334.372 2.592 20 30 EFEDRM C=CCOCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602906418 1096397694 /nfs/dbraw/zinc/39/76/94/1096397694.db2.gz FPCKHNFRIBEWTD-ZDUSSCGKSA-N -1 0 332.183 2.780 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)c(O)c2)o1 ZINC001602912700 1096399096 /nfs/dbraw/zinc/39/90/96/1096399096.db2.gz WPNKRLMHZUOMIL-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM C=CCOc1ccc(-c2nnc(SCC(=O)CCC(=O)[O-])o2)cc1 ZINC001602920630 1096399390 /nfs/dbraw/zinc/39/93/90/1096399390.db2.gz NZSUHPDCLIBRDH-UHFFFAOYSA-N -1 0 348.380 2.827 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001602922002 1096400922 /nfs/dbraw/zinc/40/09/22/1096400922.db2.gz ZIONWGKHLUHRPQ-WTTBNOFXSA-N -1 0 344.411 2.550 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@@H](C)COC ZINC001602925812 1096401084 /nfs/dbraw/zinc/40/10/84/1096401084.db2.gz AIBUTLBIIIAQTO-NWDGAFQWSA-N -1 0 336.384 2.946 20 30 EFEDRM C=CCOc1cccc(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001602921562 1096401296 /nfs/dbraw/zinc/40/12/96/1096401296.db2.gz BBDXJOCCCKLVMI-UHFFFAOYSA-N -1 0 344.371 2.912 20 30 EFEDRM C=CCSCCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602926253 1096401347 /nfs/dbraw/zinc/40/13/47/1096401347.db2.gz XWPFDMPSYNACGY-ZDUSSCGKSA-N -1 0 338.477 2.622 20 30 EFEDRM C=CCOc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001602922122 1096401378 /nfs/dbraw/zinc/40/13/78/1096401378.db2.gz OVVNXBRYHCUQPH-UHFFFAOYSA-N -1 0 326.352 2.713 20 30 EFEDRM C=CCOc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001602921770 1096401454 /nfs/dbraw/zinc/40/14/54/1096401454.db2.gz QUYGXKQFOGPOEH-UHFFFAOYSA-N -1 0 329.396 2.903 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCCn1ccnc1 ZINC001602926082 1096401529 /nfs/dbraw/zinc/40/15/29/1096401529.db2.gz OCZKXCNFTAHYDL-UHFFFAOYSA-N -1 0 344.367 2.704 20 30 EFEDRM C=CCc1cc(CNc2cccc(CC(=O)[O-])n2)cc(OC)c1O ZINC001602926781 1096402089 /nfs/dbraw/zinc/40/20/89/1096402089.db2.gz NPZKMSIOSXIDCR-UHFFFAOYSA-N -1 0 328.368 2.764 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931941 1096402823 /nfs/dbraw/zinc/40/28/23/1096402823.db2.gz GBTMRGDPFKQHHY-AAVRWANBSA-N -1 0 332.448 2.771 20 30 EFEDRM C=CCn1c(C)nnc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001602931909 1096402843 /nfs/dbraw/zinc/40/28/43/1096402843.db2.gz DTNMRKGVPFHSJT-UHFFFAOYSA-N -1 0 341.415 2.552 20 30 EFEDRM C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602930822 1096402951 /nfs/dbraw/zinc/40/29/51/1096402951.db2.gz FZLFLXJXDGMSTC-CABCVRRESA-N -1 0 345.447 2.953 20 30 EFEDRM C=CCn1c(Sc2nccc(C(=O)[O-])n2)nnc1-c1ccccc1 ZINC001602938208 1096403375 /nfs/dbraw/zinc/40/33/75/1096403375.db2.gz XTIQJSYHCXGWDU-UHFFFAOYSA-N -1 0 339.380 2.771 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001602937259 1096403462 /nfs/dbraw/zinc/40/34/62/1096403462.db2.gz SNUMJDLWJHZECP-LLVKDONJSA-N -1 0 331.397 2.574 20 30 EFEDRM C=CCn1c(Cc2ccco2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001602935523 1096403570 /nfs/dbraw/zinc/40/35/70/1096403570.db2.gz NLEHVDQZZIAPSU-CQSZACIVSA-N -1 0 344.415 2.729 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC3CC(CC(=O)[O-])C3)cc21 ZINC001602939867 1096404200 /nfs/dbraw/zinc/40/42/00/1096404200.db2.gz FEWVSXQWVHUXNH-UHFFFAOYSA-N -1 0 328.372 2.597 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)c3csc(C(=O)[O-])n3)cc2n1 ZINC001602940448 1096404210 /nfs/dbraw/zinc/40/42/10/1096404210.db2.gz MIYFGOOFDDFBNQ-UHFFFAOYSA-N -1 0 328.353 2.629 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001603107329 1096444014 /nfs/dbraw/zinc/44/40/14/1096444014.db2.gz AUCXIGIJYRMBOY-UHFFFAOYSA-N -1 0 339.351 2.831 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC001603122720 1096452012 /nfs/dbraw/zinc/45/20/12/1096452012.db2.gz SPTSDYFWKMNJBG-MXWKQRLJSA-N -1 0 329.408 2.986 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001603132249 1096454720 /nfs/dbraw/zinc/45/47/20/1096454720.db2.gz VILQSFVSHZWOBU-LBPRGKRZSA-N -1 0 339.351 2.726 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001603132216 1096455030 /nfs/dbraw/zinc/45/50/30/1096455030.db2.gz UIEAUKBPCZQFGX-WCQYABFASA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001603131881 1096455118 /nfs/dbraw/zinc/45/51/18/1096455118.db2.gz NSELOBBYHCADPH-JTQLQIEISA-N -1 0 326.312 2.715 20 30 EFEDRM C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001603137758 1096456064 /nfs/dbraw/zinc/45/60/64/1096456064.db2.gz AURHZXVXHCUYJN-SNVBAGLBSA-N -1 0 328.290 2.636 20 30 EFEDRM C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001603138419 1096456785 /nfs/dbraw/zinc/45/67/85/1096456785.db2.gz OAESBIYBLXYZKF-SECBINFHSA-N -1 0 329.183 2.924 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603182096 1096467389 /nfs/dbraw/zinc/46/73/89/1096467389.db2.gz YBPZZXUORNLHEJ-FZKQIMNGSA-N -1 0 349.390 2.569 20 30 EFEDRM CC(C)CC[C@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603278516 1096492946 /nfs/dbraw/zinc/49/29/46/1096492946.db2.gz QPJKXXVTZFMUPP-VXGBXAGGSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CS[C@H](C(C)C)C2)o1 ZINC001603308749 1096501598 /nfs/dbraw/zinc/50/15/98/1096501598.db2.gz UVZIGBNRWLOYEQ-NSHDSACASA-N -1 0 349.464 2.983 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001603365368 1096514335 /nfs/dbraw/zinc/51/43/35/1096514335.db2.gz ISTUGXWRBFJYGV-LBPRGKRZSA-N -1 0 345.399 2.600 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3scnc32)o1 ZINC001603406431 1096522595 /nfs/dbraw/zinc/52/25/95/1096522595.db2.gz JSVZIBMLNKIAOF-UHFFFAOYSA-N -1 0 344.404 2.587 20 30 EFEDRM C[C@H](CCC1CCCCC1)Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603466027 1096535241 /nfs/dbraw/zinc/53/52/41/1096535241.db2.gz HJWJLLGHZBTOKM-LLVKDONJSA-N -1 0 326.408 2.689 20 30 EFEDRM CC(C)(C)Oc1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1 ZINC001603520007 1096544666 /nfs/dbraw/zinc/54/46/66/1096544666.db2.gz YPDRHTRKWIIWJA-UHFFFAOYSA-N -1 0 326.352 2.644 20 30 EFEDRM CC(C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1nocc1C(=O)[O-] ZINC001603676916 1096588229 /nfs/dbraw/zinc/58/82/29/1096588229.db2.gz LNCLITCWNGTMHK-UHFFFAOYSA-N -1 0 339.351 2.593 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001603692930 1096591169 /nfs/dbraw/zinc/59/11/69/1096591169.db2.gz VZTVAERYTXDAHD-BEFAXECRSA-N -1 0 342.395 2.571 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001603743683 1096611002 /nfs/dbraw/zinc/61/10/02/1096611002.db2.gz LCKKWDZLBFEOLV-SFHVURJKSA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)[C@@H]1C[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001603750634 1096613262 /nfs/dbraw/zinc/61/32/62/1096613262.db2.gz RABPOCNSUMKFKN-LRDDRELGSA-N -1 0 331.368 2.751 20 30 EFEDRM CC(C)Cn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001603858277 1096646842 /nfs/dbraw/zinc/64/68/42/1096646842.db2.gz LDJRVKMACHLSAV-GOSISDBHSA-N -1 0 347.463 2.816 20 30 EFEDRM C[C@@H]1CCCc2ccccc2[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603899172 1096663247 /nfs/dbraw/zinc/66/32/47/1096663247.db2.gz LVFDNHHMIMOLGE-BZNIZROVSA-N -1 0 346.398 2.654 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001603935687 1096674374 /nfs/dbraw/zinc/67/43/74/1096674374.db2.gz UYGMNCGYSVFHPD-AAEUAGOBSA-N -1 0 331.372 2.672 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cn2)c(C(=O)[O-])c1 ZINC001603949602 1096678609 /nfs/dbraw/zinc/67/86/09/1096678609.db2.gz GRLXAICOCQOCEQ-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)n1cc2c(n1)[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)CCC2 ZINC001604037333 1096707100 /nfs/dbraw/zinc/70/71/00/1096707100.db2.gz SNPZSNXJLJMGSI-ZDUSSCGKSA-N -1 0 325.372 2.918 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604059447 1096715466 /nfs/dbraw/zinc/71/54/66/1096715466.db2.gz FNMXPELYJNEFLJ-SKDRFNHKSA-N -1 0 343.305 2.932 20 30 EFEDRM C[C@H](CC#Cc1cccnc1)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604061741 1096715726 /nfs/dbraw/zinc/71/57/26/1096715726.db2.gz VRSLJMKUMHLXFJ-CQSZACIVSA-N -1 0 339.347 2.532 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1ccccn1 ZINC001604082507 1096724785 /nfs/dbraw/zinc/72/47/85/1096724785.db2.gz NEEFCXXECWQDEI-OAHLLOKOSA-N -1 0 330.369 2.526 20 30 EFEDRM C[C@](CNC(=O)CCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001604173789 1096761988 /nfs/dbraw/zinc/76/19/88/1096761988.db2.gz DLENFOBPIUOMDU-HXUWFJFHSA-N -1 0 336.391 2.650 20 30 EFEDRM C[C@H](Cc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC001604228956 1096780170 /nfs/dbraw/zinc/78/01/70/1096780170.db2.gz PYLTXSBTZMOOGM-CQSZACIVSA-N -1 0 343.427 2.704 20 30 EFEDRM C[C@@](NC(=O)c1ccc(CC#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001604309100 1096801967 /nfs/dbraw/zinc/80/19/67/1096801967.db2.gz MPAKJAZYMSDKGI-SFHVURJKSA-N -1 0 326.327 2.622 20 30 EFEDRM C[C@@](O)(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001604367014 1096830451 /nfs/dbraw/zinc/83/04/51/1096830451.db2.gz IPTSTQKQUMHDPJ-PKOBYXMFSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@](O)(C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC001604367642 1096832064 /nfs/dbraw/zinc/83/20/64/1096832064.db2.gz WJGVYOOUBBQEFD-OAQYLSRUSA-N -1 0 349.386 2.884 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[nH]n2)o1 ZINC001604388409 1096833903 /nfs/dbraw/zinc/83/39/03/1096833903.db2.gz WXRISFQVDVJMTM-VQHVLOKHSA-N -1 0 338.323 2.533 20 30 EFEDRM CCO[C@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1 ZINC001604411710 1096844421 /nfs/dbraw/zinc/84/44/21/1096844421.db2.gz DFQLJEVOGLNLGS-NSHDSACASA-N -1 0 333.396 2.725 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604427630 1096849554 /nfs/dbraw/zinc/84/95/54/1096849554.db2.gz PNXZLJHPWDPKII-GUYCJALGSA-N -1 0 339.347 2.565 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001604428549 1096850201 /nfs/dbraw/zinc/85/02/01/1096850201.db2.gz YTPIWHLEIJTUID-LLVKDONJSA-N -1 0 342.326 2.730 20 30 EFEDRM C[C@H](Oc1ccccc1C=NN1C(=S)N=NC1C(C)(C)C)C(=O)[O-] ZINC001604443960 1096857162 /nfs/dbraw/zinc/85/71/62/1096857162.db2.gz UYCLEXNONQRSQQ-JTQLQIEISA-N -1 0 348.428 2.598 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604467276 1096869514 /nfs/dbraw/zinc/86/95/14/1096869514.db2.gz IGXFJKTWBYVBOB-UFRBAHOGSA-N -1 0 341.411 2.760 20 30 EFEDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(Nc2ccccc2C#N)CC1 ZINC001604477006 1096873384 /nfs/dbraw/zinc/87/33/84/1096873384.db2.gz JMRKDYGBHISOQI-GFCCVEGCSA-N -1 0 340.383 2.882 20 30 EFEDRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(Nc2ccccc2C#N)CC1 ZINC001604477012 1096873741 /nfs/dbraw/zinc/87/37/41/1096873741.db2.gz JMRKDYGBHISOQI-LBPRGKRZSA-N -1 0 340.383 2.882 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001604480654 1096874569 /nfs/dbraw/zinc/87/45/69/1096874569.db2.gz LIAKEKURNSQGGL-SMDDNHRTSA-N -1 0 343.408 2.847 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001604481108 1096875847 /nfs/dbraw/zinc/87/58/47/1096875847.db2.gz ODAHDAVAFYJEPP-RISCZKNCSA-N -1 0 343.408 2.847 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC001604482079 1096876309 /nfs/dbraw/zinc/87/63/09/1096876309.db2.gz FUMZTBHOTPDZCD-KDOFPFPSSA-N -1 0 329.400 2.784 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2c(F)cc(C#N)cc2F)NC(=O)N1CC(C)C ZINC001604607036 1096912601 /nfs/dbraw/zinc/91/26/01/1096912601.db2.gz HRPMTCFUGMUOQU-HNNXBMFYSA-N -1 0 349.337 2.917 20 30 EFEDRM C[C@H]1CC[C@](NC(=O)c2ccc(C#N)n2C)(C(=O)[O-])c2ccccc21 ZINC001604702366 1096935024 /nfs/dbraw/zinc/93/50/24/1096935024.db2.gz BAWVBWZHDNYSSL-HXPMCKFVSA-N -1 0 337.379 2.504 20 30 EFEDRM C[C@@H]1CC[C@](NC(=O)c2ccc(C#N)n2C)(C(=O)[O-])c2ccccc21 ZINC001604702363 1096935539 /nfs/dbraw/zinc/93/55/39/1096935539.db2.gz BAWVBWZHDNYSSL-CWTRNNRKSA-N -1 0 337.379 2.504 20 30 EFEDRM C[C@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785613 1096953948 /nfs/dbraw/zinc/95/39/48/1096953948.db2.gz GMJYVIJXTKNGIP-JXFKEZNVSA-N -1 0 349.434 2.890 20 30 EFEDRM CN(Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F)CC(C)(C)C#N ZINC001604807898 1096961039 /nfs/dbraw/zinc/96/10/39/1096961039.db2.gz XTYQDKALXRGLKQ-UHFFFAOYSA-N -1 0 338.337 2.867 20 30 EFEDRM CC[C@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001604980591 1096992422 /nfs/dbraw/zinc/99/24/22/1096992422.db2.gz JJWROGKZOYBYAI-CQSZACIVSA-N -1 0 344.411 2.796 20 30 EFEDRM COCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)C1CCCC1 ZINC001605036568 1097007779 /nfs/dbraw/zinc/00/77/79/1097007779.db2.gz QLCIJJVTPFQJLD-UHFFFAOYSA-N -1 0 333.396 2.583 20 30 EFEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001605085304 1097018577 /nfs/dbraw/zinc/01/85/77/1097018577.db2.gz OWVWLWFZACFLEP-OAHLLOKOSA-N -1 0 345.399 2.546 20 30 EFEDRM CCC1CCC(NC(=O)Cc2cccc(OCC#N)c2)(C(=O)[O-])CC1 ZINC001605157964 1097036843 /nfs/dbraw/zinc/03/68/43/1097036843.db2.gz DDSFHCWCLAINMO-UHFFFAOYSA-N -1 0 344.411 2.671 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc([O-])c(F)c2)ccc1-c1nn[nH]n1 ZINC001605205806 1097050971 /nfs/dbraw/zinc/05/09/71/1097050971.db2.gz NXPZVMVBQALKPC-UTCJRWHESA-N -1 0 340.314 2.616 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)c(C)c2)c([O-])c1 ZINC001605255827 1097069653 /nfs/dbraw/zinc/06/96/53/1097069653.db2.gz XUJKTANKEFJYRA-XBXARRHUSA-N -1 0 336.351 2.785 20 30 EFEDRM CCCCC[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001605259739 1097070972 /nfs/dbraw/zinc/07/09/72/1097070972.db2.gz CTBHESRXPBSKNJ-NSHDSACASA-N -1 0 343.305 2.735 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001605261591 1097071877 /nfs/dbraw/zinc/07/18/77/1097071877.db2.gz YFBORQKKJFAQBY-LBPRGKRZSA-N -1 0 344.820 2.523 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001605266392 1097074532 /nfs/dbraw/zinc/07/45/32/1097074532.db2.gz GYBRXTPFRYHRAG-ZIAGYGMSSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCCCc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]1 ZINC001605271855 1097075610 /nfs/dbraw/zinc/07/56/10/1097075610.db2.gz GWKKPSDSXRGDLC-INIZCTEOSA-N -1 0 341.367 2.997 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001605317804 1097092872 /nfs/dbraw/zinc/09/28/72/1097092872.db2.gz SQMPQMSEFGWWCP-UHFFFAOYSA-N -1 0 329.400 2.733 20 30 EFEDRM CCCOc1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605343069 1097101805 /nfs/dbraw/zinc/10/18/05/1097101805.db2.gz IPXMKTMYROHMEJ-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM CCC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1C#N)C(=O)[O-] ZINC001605361407 1097104043 /nfs/dbraw/zinc/10/40/43/1097104043.db2.gz BVJARHAECXIRMU-LBPRGKRZSA-N -1 0 333.413 2.536 20 30 EFEDRM CCCc1c(C(=O)OCc2nc(C#N)cs2)[nH]c(C)c1C(=O)[O-] ZINC001605370832 1097107178 /nfs/dbraw/zinc/10/71/78/1097107178.db2.gz LOFRQTRTUQRDSL-UHFFFAOYSA-N -1 0 333.369 2.659 20 30 EFEDRM CCCn1c(CN2CCC(C#N)(C(=O)[O-])CC2)nc2ccccc21 ZINC001605384859 1097113002 /nfs/dbraw/zinc/11/30/02/1097113002.db2.gz NETWSFSXVQRLGL-UHFFFAOYSA-N -1 0 326.400 2.637 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001605439604 1097126101 /nfs/dbraw/zinc/12/61/01/1097126101.db2.gz LNTXTWAGOJMWAR-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001605544621 1097156047 /nfs/dbraw/zinc/15/60/47/1097156047.db2.gz LUWXECIHUZUGJD-YVMONPNESA-N -1 0 344.319 2.816 20 30 EFEDRM CCOC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1C#N ZINC001605556543 1097158101 /nfs/dbraw/zinc/15/81/01/1097158101.db2.gz WLPCXCWFOHHNOC-HNNXBMFYSA-N -1 0 340.339 2.759 20 30 EFEDRM CCOC(=O)c1cnc(N=NC(C)CC(C)(C)CC(=O)[O-])nc1C ZINC001605577829 1097162507 /nfs/dbraw/zinc/16/25/07/1097162507.db2.gz IXNHQPYQLJBURB-UHFFFAOYSA-N -1 0 336.392 2.641 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2cccc(F)c2C(=O)[O-])[C@H]1n1cccn1 ZINC001605648316 1097179317 /nfs/dbraw/zinc/17/93/17/1097179317.db2.gz RPGWTDLXQTXHCU-UKRRQHHQSA-N -1 0 332.335 2.538 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001605677598 1097192058 /nfs/dbraw/zinc/19/20/58/1097192058.db2.gz HCZJIFURISLXDP-ZDUSSCGKSA-N -1 0 331.372 2.579 20 30 EFEDRM CCOc1ccccc1C=NOCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001605715533 1097205148 /nfs/dbraw/zinc/20/51/48/1097205148.db2.gz YDJITECVBOLSTI-UHFFFAOYSA-N -1 0 344.367 2.962 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2cc(C#N)ccc2OC)c(C)c1C(=O)[O-] ZINC001605767755 1097220005 /nfs/dbraw/zinc/22/00/05/1097220005.db2.gz YWCOIDFDHIXGIY-UHFFFAOYSA-N -1 0 327.340 2.716 20 30 EFEDRM CCc1[nH]c(C(=O)OCCCC2(C#N)CCOCC2)c(C)c1C(=O)[O-] ZINC001605771361 1097220887 /nfs/dbraw/zinc/22/08/87/1097220887.db2.gz VWWLEAJBUSCDBH-UHFFFAOYSA-N -1 0 348.399 2.841 20 30 EFEDRM CCc1ccc([C@@H](C#N)N(C)C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)cc1 ZINC001605807648 1097233830 /nfs/dbraw/zinc/23/38/30/1097233830.db2.gz OQKUSBHYTNXXQG-ZACQAIPSSA-N -1 0 344.411 2.684 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001605807932 1097233841 /nfs/dbraw/zinc/23/38/41/1097233841.db2.gz XKTXXVYQXPKXHH-ZDUSSCGKSA-N -1 0 329.381 2.741 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001605819064 1097236621 /nfs/dbraw/zinc/23/66/21/1097236621.db2.gz PGKFVEHNODWVHM-GFCCVEGCSA-N -1 0 326.308 2.501 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC001605827161 1097241320 /nfs/dbraw/zinc/24/13/20/1097241320.db2.gz NVNKIPXZWSLHPI-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM CCn1c(CCNc2ccc(C(=O)[O-])nc2C#N)nc2ccccc21 ZINC001605908011 1097272101 /nfs/dbraw/zinc/27/21/01/1097272101.db2.gz OCIJRDBIXJHOQG-UHFFFAOYSA-N -1 0 335.367 2.676 20 30 EFEDRM CCn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001605912214 1097272985 /nfs/dbraw/zinc/27/29/85/1097272985.db2.gz RQKALCKFYLZMJR-AWEZNQCLSA-N -1 0 345.447 2.715 20 30 EFEDRM CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001605952621 1097285140 /nfs/dbraw/zinc/28/51/40/1097285140.db2.gz ZXZIEELZSDBVCZ-GKUQOKNUSA-N -1 0 341.338 2.692 20 30 EFEDRM CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001605952624 1097285177 /nfs/dbraw/zinc/28/51/77/1097285177.db2.gz ZXZIEELZSDBVCZ-XLNAKTSKSA-N -1 0 341.338 2.692 20 30 EFEDRM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001605958192 1097286532 /nfs/dbraw/zinc/28/65/32/1097286532.db2.gz WKDAJFUSSZSDIA-LBPRGKRZSA-N -1 0 329.381 2.892 20 30 EFEDRM CN(C)C1(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001606011097 1097297538 /nfs/dbraw/zinc/29/75/38/1097297538.db2.gz HCUWAWLGFZLAAX-UHFFFAOYSA-N -1 0 348.402 2.817 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1c(Cl)oc2ccccc21 ZINC001606018071 1097300460 /nfs/dbraw/zinc/30/04/60/1097300460.db2.gz QOLVKKSSAZQZCZ-UHFFFAOYSA-N -1 0 339.746 2.691 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001606044052 1097305816 /nfs/dbraw/zinc/30/58/16/1097305816.db2.gz XVUDWLKZSSLBLC-UHFFFAOYSA-N -1 0 342.326 2.819 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)Cc1cc(Cl)ccc1OCC#N ZINC001606155641 1097331112 /nfs/dbraw/zinc/33/11/12/1097331112.db2.gz UGAKOCUVJKJGOP-UHFFFAOYSA-N -1 0 345.786 2.968 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Nc1sccc1C#N ZINC001606161527 1097333242 /nfs/dbraw/zinc/33/32/42/1097333242.db2.gz SNZKWICSMODNND-UHFFFAOYSA-N -1 0 345.380 2.747 20 30 EFEDRM N#CCc1c(F)cccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939291 1097384622 /nfs/dbraw/zinc/38/46/22/1097384622.db2.gz SHJBNJOWMXZBCG-UHFFFAOYSA-N -1 0 346.298 2.976 20 30 EFEDRM COC(=O)[C@H](c1ccc(Cl)cc1Cl)N(CC#N)CCC(=O)[O-] ZINC001606341680 1097388255 /nfs/dbraw/zinc/38/82/55/1097388255.db2.gz KZAFBKWBXVUDRX-ZDUSSCGKSA-N -1 0 345.182 2.508 20 30 EFEDRM COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC#N)CCC(=O)[O-] ZINC001606340931 1097388386 /nfs/dbraw/zinc/38/83/86/1097388386.db2.gz CGYZJUUPHNTAQR-ZDUSSCGKSA-N -1 0 345.182 2.508 20 30 EFEDRM COC(=O)[C@@H](Sc1cccnc1C#N)c1cccc(C(=O)[O-])c1 ZINC001606341507 1097388769 /nfs/dbraw/zinc/38/87/69/1097388769.db2.gz JSKZXODOMSKFOC-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)N(C)c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001606487649 1097407528 /nfs/dbraw/zinc/40/75/28/1097407528.db2.gz AIOJXBYYJLYZON-UHFFFAOYSA-N -1 0 326.312 2.598 20 30 EFEDRM COC(=O)c1cc(F)cc(NCc2cccc(C(=O)[O-])c2C#N)c1F ZINC001606548385 1097418232 /nfs/dbraw/zinc/41/82/32/1097418232.db2.gz FEYTULZOJRXWOB-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COC(=O)c1cc(NN=Cc2cc(C(=O)[O-])c(C)n2C)ccc1C ZINC001606559485 1097419166 /nfs/dbraw/zinc/41/91/66/1097419166.db2.gz QOZINQPPPLQFKD-UHFFFAOYSA-N -1 0 329.356 2.573 20 30 EFEDRM COCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001606895873 1097467080 /nfs/dbraw/zinc/46/70/80/1097467080.db2.gz UAPCNOBUEXPQSS-UHFFFAOYSA-N -1 0 338.363 2.553 20 30 EFEDRM COCc1nc(Cl)cc(N=NC(C)CC(C)(C)CC(=O)[O-])n1 ZINC001606976208 1097486929 /nfs/dbraw/zinc/48/69/29/1097486929.db2.gz IQSHWLWIWPHORH-UHFFFAOYSA-N -1 0 328.800 2.955 20 30 EFEDRM COc1c(NC(=O)NCc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001607034499 1097500014 /nfs/dbraw/zinc/50/00/14/1097500014.db2.gz FGRSTJFFPBXERU-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1c(NC(=O)c2c(F)cc(C#N)cc2F)cccc1C(=O)[O-] ZINC001607034804 1097500616 /nfs/dbraw/zinc/50/06/16/1097500616.db2.gz XGXZYPQNWCLSSI-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)c1cccc(CC(=O)[O-])c1 ZINC001607065291 1097504292 /nfs/dbraw/zinc/50/42/92/1097504292.db2.gz LMIRDTCBDFNWBP-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001607065315 1097504408 /nfs/dbraw/zinc/50/44/08/1097504408.db2.gz MGSAGMSLJCGYOL-INIZCTEOSA-N -1 0 338.363 2.903 20 30 EFEDRM COc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1C#N ZINC001607085927 1097510469 /nfs/dbraw/zinc/51/04/69/1097510469.db2.gz FUNNIPAYMNDVMM-UHFFFAOYSA-N -1 0 345.380 2.683 20 30 EFEDRM COc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1C#N ZINC001607087187 1097511603 /nfs/dbraw/zinc/51/16/03/1097511603.db2.gz KUXKGPVRHLGWPH-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C)c(C#N)c2)c1OC ZINC001607104646 1097516209 /nfs/dbraw/zinc/51/62/09/1097516209.db2.gz ZDPIVAZIAKSWPF-UHFFFAOYSA-N -1 0 340.335 2.834 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001607122168 1097523565 /nfs/dbraw/zinc/52/35/65/1097523565.db2.gz GTNCHJYRSCHLLY-NSHDSACASA-N -1 0 340.335 2.671 20 30 EFEDRM COc1cc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)ccc1SC ZINC001607150817 1097544495 /nfs/dbraw/zinc/54/44/95/1097544495.db2.gz MWKJHDIRRYHRGD-YRNVUSSQSA-N -1 0 344.392 2.982 20 30 EFEDRM COc1cc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)ccc1C(=O)[O-] ZINC001607160158 1097547811 /nfs/dbraw/zinc/54/78/11/1097547811.db2.gz KMBTWTPZCBGRST-JWIMFUQQSA-N -1 0 342.395 2.730 20 30 EFEDRM COc1cc2c(cc1Cl)CN(c1ccc(C(=O)[O-])nc1C#N)CC2 ZINC001607191250 1097556532 /nfs/dbraw/zinc/55/65/32/1097556532.db2.gz FBTLHAFZPGAWDC-UHFFFAOYSA-N -1 0 343.770 2.876 20 30 EFEDRM COc1ccc(C#N)cc1N[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001607201187 1097558534 /nfs/dbraw/zinc/55/85/34/1097558534.db2.gz CMTAQMOSPYVCIV-LLVKDONJSA-N -1 0 341.367 2.893 20 30 EFEDRM COc1ccc2c(c1)CC/C(=C\c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001607293312 1097586484 /nfs/dbraw/zinc/58/64/84/1097586484.db2.gz FNZDEZYAMILSDU-FMIVXFBMSA-N -1 0 326.352 2.648 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(C#N)ccc2OC)c1 ZINC001607310577 1097594620 /nfs/dbraw/zinc/59/46/20/1097594620.db2.gz SNDIMZRKYAIWKF-GOSISDBHSA-N -1 0 340.379 2.833 20 30 EFEDRM COc1cccc(O)c1/C=N\[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607326853 1097602312 /nfs/dbraw/zinc/60/23/12/1097602312.db2.gz UNJBHBXHAYISOH-LDUBKIQYSA-N -1 0 335.425 2.949 20 30 EFEDRM COc1cccc([C@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])c1 ZINC001607330407 1097603357 /nfs/dbraw/zinc/60/33/57/1097603357.db2.gz RAIXVGRKJBHEAG-KRWDZBQOSA-N -1 0 349.346 2.604 20 30 EFEDRM COc1cccc2c1OCC/C(=C/c1ccc(C(=O)[O-])n1C)C2=O ZINC001607334832 1097604929 /nfs/dbraw/zinc/60/49/29/1097604929.db2.gz URUPTEMCVSVKHB-KHPPLWFESA-N -1 0 327.336 2.781 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC001607414677 1097624196 /nfs/dbraw/zinc/62/41/96/1097624196.db2.gz QNSVRVDXEZKTCJ-MNOVXSKESA-N -1 0 345.424 2.536 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NC2CC(CC(=O)[O-])C2)c1C#N ZINC001607414606 1097624634 /nfs/dbraw/zinc/62/46/34/1097624634.db2.gz NXERDLDTLLRLLV-UHFFFAOYSA-N -1 0 345.424 2.536 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2csc(C#N)c2)[C@@H]1C(=O)[O-] ZINC001607447169 1097629801 /nfs/dbraw/zinc/62/98/01/1097629801.db2.gz VDJOURIAIFYKJV-BMIGLBTASA-N -1 0 326.377 2.912 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)[C@@H](C#N)CCc2ccccc2)(C(=O)[O-])CC1 ZINC001607463601 1097633620 /nfs/dbraw/zinc/63/36/20/1097633620.db2.gz MUQCQVBVJDJCHU-IDHHARJASA-N -1 0 328.412 2.909 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001607470135 1097634389 /nfs/dbraw/zinc/63/43/89/1097634389.db2.gz DYQXIKWCUQTNLZ-IMJJTQAJSA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@]1(C)C(=O)[O-] ZINC001607470397 1097634744 /nfs/dbraw/zinc/63/47/44/1097634744.db2.gz IEPAFPNDHHMNKF-UVIMBBFXSA-N -1 0 341.411 2.688 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001607504116 1097644834 /nfs/dbraw/zinc/64/48/34/1097644834.db2.gz CRTVNVYVXNHTOI-HXUWFJFHSA-N -1 0 334.375 2.735 20 30 EFEDRM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)CC1(C#N)CCOCC1 ZINC001607519671 1097649803 /nfs/dbraw/zinc/64/98/03/1097649803.db2.gz NZWNGNUIDUNURN-UHFFFAOYSA-N -1 0 336.775 2.996 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)OCCCC(=O)C(=O)[O-] ZINC001607526381 1097651804 /nfs/dbraw/zinc/65/18/04/1097651804.db2.gz RSPLTOSQJNLDCH-UHFFFAOYSA-N -1 0 331.349 2.672 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)OCC(F)(F)F ZINC001607530129 1097653400 /nfs/dbraw/zinc/65/34/00/1097653400.db2.gz VYPYAOFXOAKBQG-UHFFFAOYSA-N -1 0 332.683 2.614 20 30 EFEDRM Cc1cc(Br)cc(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001607563743 1097661793 /nfs/dbraw/zinc/66/17/93/1097661793.db2.gz UYSSZWOBWTZQJI-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1cc(C#N)cc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC001607565508 1097662489 /nfs/dbraw/zinc/66/24/89/1097662489.db2.gz MMMXFIHKIBPVLP-UHFFFAOYSA-N -1 0 325.368 2.954 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001607565495 1097662680 /nfs/dbraw/zinc/66/26/80/1097662680.db2.gz LXLSTEPWYRQEIO-UHFFFAOYSA-N -1 0 325.320 2.801 20 30 EFEDRM Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc(C)c1C#N ZINC001607570774 1097663418 /nfs/dbraw/zinc/66/34/18/1097663418.db2.gz CMTUNPPFLOJYHN-HNNXBMFYSA-N -1 0 340.301 2.654 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nn1C(C)C ZINC001607604938 1097673336 /nfs/dbraw/zinc/67/33/36/1097673336.db2.gz SMSSFWCLWQYMLM-OAHLLOKOSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1cc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)ccc1C(=O)[O-] ZINC001607633316 1097684538 /nfs/dbraw/zinc/68/45/38/1097684538.db2.gz KOLHKHIRZCYWPM-CYBMUJFWSA-N -1 0 346.412 2.697 20 30 EFEDRM Cc1cc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])c(C#N)cc1N(C)C ZINC001607685485 1097698830 /nfs/dbraw/zinc/69/88/30/1097698830.db2.gz GDMVCMZNUFJVJH-CQSZACIVSA-N -1 0 344.415 2.555 20 30 EFEDRM Cc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)nn1CCC#N ZINC001607692674 1097701728 /nfs/dbraw/zinc/70/17/28/1097701728.db2.gz LASOSNQZXHQVPW-UHFFFAOYSA-N -1 0 332.747 2.709 20 30 EFEDRM Cc1cc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])ccc1C#N ZINC001607710571 1097706041 /nfs/dbraw/zinc/70/60/41/1097706041.db2.gz KSPGXNGQFPRBMG-INIZCTEOSA-N -1 0 340.404 2.842 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001607713155 1097706935 /nfs/dbraw/zinc/70/69/35/1097706935.db2.gz WLCCDZBOBWFRGR-HWKANZROSA-N -1 0 336.307 2.686 20 30 EFEDRM Cc1ccc(-c2nc(C(=O)N(CC#N)CCC(=O)[O-])cs2)cc1 ZINC001607717398 1097707656 /nfs/dbraw/zinc/70/76/56/1097707656.db2.gz JJRIYMOODLCBJK-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1ccc(-c2noc([C@@H](C)N(CC#N)CCC(=O)[O-])n2)cc1F ZINC001607721043 1097709409 /nfs/dbraw/zinc/70/94/09/1097709409.db2.gz SXVQOYDDSFFJQE-LLVKDONJSA-N -1 0 332.335 2.545 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1Cc2cccc(C#N)c2C1 ZINC001607740124 1097715546 /nfs/dbraw/zinc/71/55/46/1097715546.db2.gz RCKUMSKCIYRURK-UHFFFAOYSA-N -1 0 335.363 2.519 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC001607755425 1097721571 /nfs/dbraw/zinc/72/15/71/1097721571.db2.gz YRMXZQONEWNUQB-NWDGAFQWSA-N -1 0 343.305 2.655 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 ZINC001607755427 1097721582 /nfs/dbraw/zinc/72/15/82/1097721582.db2.gz YRMXZQONEWNUQB-RYUDHWBXSA-N -1 0 343.305 2.655 20 30 EFEDRM Cc1ccc(C[C@H](SCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-])cc1 ZINC001607775844 1097728831 /nfs/dbraw/zinc/72/88/31/1097728831.db2.gz NLPCWGFIJQSTNT-YJBOKZPZSA-N -1 0 348.468 2.778 20 30 EFEDRM Cc1ccc(CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001607782096 1097731390 /nfs/dbraw/zinc/73/13/90/1097731390.db2.gz DBTRDEVEDOLYTH-UHFFFAOYSA-N -1 0 337.379 2.907 20 30 EFEDRM Cc1ccc([N-][NH+]=Cc2ccc(N(C)CCO)cc2)cc1C(=O)[O-] ZINC001607808671 1097740427 /nfs/dbraw/zinc/74/04/27/1097740427.db2.gz XREJDUCRZILIPL-UHFFFAOYSA-N -1 0 327.384 2.568 20 30 EFEDRM Cc1ccc(OCc2nc(CN(CC#N)CCC(=O)[O-])cs2)cc1 ZINC001607815098 1097742273 /nfs/dbraw/zinc/74/22/73/1097742273.db2.gz WUKYNBOEPFRDPL-UHFFFAOYSA-N -1 0 345.424 2.831 20 30 EFEDRM Cc1ccc2ncc(C#N)c(N3CCSC[C@@H](C(=O)[O-])C3)c2c1 ZINC001607833320 1097747377 /nfs/dbraw/zinc/74/73/77/1097747377.db2.gz BCDAZRLOQZTLOE-ZDUSSCGKSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1cccc(NC(=S)NN=Cc2ccc(C(=O)[O-])n2C)c1C ZINC001607856646 1097756182 /nfs/dbraw/zinc/75/61/82/1097756182.db2.gz DNIFXNRTAJGGJZ-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC001607862912 1097758336 /nfs/dbraw/zinc/75/83/36/1097758336.db2.gz FRBSODHLPALGGP-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cccc2c1O[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001607866762 1097759654 /nfs/dbraw/zinc/75/96/54/1097759654.db2.gz ZAGSVOSJCZUDBY-WBVHZDCISA-N -1 0 337.331 2.539 20 30 EFEDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)c1c(F)cc(C#N)cc1F ZINC001607866979 1097759718 /nfs/dbraw/zinc/75/97/18/1097759718.db2.gz VTIANDXAOOQPEA-OAHLLOKOSA-N -1 0 342.301 2.801 20 30 EFEDRM Cc1nc(N(CCC(=O)[O-])Cc2ccncc2)c(Cl)cc1C#N ZINC001607960010 1097789197 /nfs/dbraw/zinc/78/91/97/1097789197.db2.gz BLAATLKPKXCVQO-UHFFFAOYSA-N -1 0 330.775 2.791 20 30 EFEDRM Cc1nn(-c2ccccc2)c(COC(=O)C(C)(C)CC(=O)[O-])c1C#N ZINC001607995693 1097799507 /nfs/dbraw/zinc/79/95/07/1097799507.db2.gz QCVCEJSIZXLTPO-UHFFFAOYSA-N -1 0 341.367 2.597 20 30 EFEDRM Cc1nocc1/C=C1\CC(C(=O)[O-])C/C(=C/c2conc2C)C1=O ZINC001608029949 1097809683 /nfs/dbraw/zinc/80/96/83/1097809683.db2.gz YYAWNKSAYIHZDA-JTAXDKCCSA-N -1 0 328.324 2.810 20 30 EFEDRM Cc1nsc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C#N ZINC001608030298 1097809810 /nfs/dbraw/zinc/80/98/10/1097809810.db2.gz NJYKVVYFQTVCAR-UHFFFAOYSA-N -1 0 330.369 2.685 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001608061016 1097820412 /nfs/dbraw/zinc/82/04/12/1097820412.db2.gz JAJMWGZPISBMFA-ZDUSSCGKSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC001608063564 1097822441 /nfs/dbraw/zinc/82/24/41/1097822441.db2.gz AEXGYLBEVAVBSP-UHFFFAOYSA-N -1 0 345.380 2.979 20 30 EFEDRM Cn1c2ccc(F)cc2c(CN[C@@H](CC#N)C(F)(F)F)c1C(=O)[O-] ZINC001608078872 1097826578 /nfs/dbraw/zinc/82/65/78/1097826578.db2.gz FOGIAGFNMYAQHC-LBPRGKRZSA-N -1 0 343.280 2.950 20 30 EFEDRM Cn1c2ccc(F)cc2c(CNCc2nc(C#N)cs2)c1C(=O)[O-] ZINC001608078920 1097826626 /nfs/dbraw/zinc/82/66/26/1097826626.db2.gz MYVGMGSPKHSWCU-UHFFFAOYSA-N -1 0 344.371 2.634 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001608082674 1097828444 /nfs/dbraw/zinc/82/84/44/1097828444.db2.gz IKAVHMGUEAKBQR-UHFFFAOYSA-N -1 0 335.363 2.524 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC001608107540 1097836255 /nfs/dbraw/zinc/83/62/55/1097836255.db2.gz QOYZRSXAWFLEMQ-BQYQJAHWSA-N -1 0 335.363 2.864 20 30 EFEDRM Cn1nc2c(c1/C=C/C(=O)c1ccc(Cl)cc1C(=O)[O-])COCC2 ZINC001608151545 1097847480 /nfs/dbraw/zinc/84/74/80/1097847480.db2.gz MAMXMOVCCZTWRG-SNAWJCMRSA-N -1 0 346.770 2.741 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001608170473 1097849937 /nfs/dbraw/zinc/84/99/37/1097849937.db2.gz OMOPLVJWGUBAPE-MRXNPFEDSA-N -1 0 328.412 2.910 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC001608173468 1097850384 /nfs/dbraw/zinc/85/03/84/1097850384.db2.gz VSBWDIPRNKWANL-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC001608173678 1097850510 /nfs/dbraw/zinc/85/05/10/1097850510.db2.gz JVLKSIHHHMMTHK-LLVKDONJSA-N -1 0 349.140 2.735 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC001608173217 1097851070 /nfs/dbraw/zinc/85/10/70/1097851070.db2.gz DEILAWSXQPPWMJ-FQEVSTJZSA-N -1 0 349.434 2.696 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cc(F)ccc2OC(F)F)CC1 ZINC001608174579 1097851675 /nfs/dbraw/zinc/85/16/75/1097851675.db2.gz SAAHZKSFPSGXNK-UHFFFAOYSA-N -1 0 328.290 2.617 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608174011 1097851826 /nfs/dbraw/zinc/85/18/26/1097851826.db2.gz QLUIEPXWOCESCW-AWEZNQCLSA-N -1 0 327.409 2.833 20 30 EFEDRM N#CCCCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001608180497 1097853101 /nfs/dbraw/zinc/85/31/01/1097853101.db2.gz PXKLZHSLJOAFEF-LSDHHAIUSA-N -1 0 349.818 2.843 20 30 EFEDRM N#C[C@@]1(NC(=O)c2ccccc2CCC(=O)[O-])CCc2ccccc2C1 ZINC001608176985 1097853259 /nfs/dbraw/zinc/85/32/59/1097853259.db2.gz HRTGSKJBIPUZCU-OAQYLSRUSA-N -1 0 348.402 2.885 20 30 EFEDRM N#CCCc1ccc(NC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001608182848 1097853898 /nfs/dbraw/zinc/85/38/98/1097853898.db2.gz DRJBKBFQUVHPRI-QGZVFWFLSA-N -1 0 340.379 2.693 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001608187190 1097853970 /nfs/dbraw/zinc/85/39/70/1097853970.db2.gz RBLGVCMTNMSUSC-UHFFFAOYSA-N -1 0 339.351 2.651 20 30 EFEDRM N#CCSCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001608187025 1097854021 /nfs/dbraw/zinc/85/40/21/1097854021.db2.gz JDNKPBMQCSOYPB-LLVKDONJSA-N -1 0 346.330 2.594 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CSc1ccc2ccccc2c1 ZINC001608185334 1097854430 /nfs/dbraw/zinc/85/44/30/1097854430.db2.gz MSAMAVACSFLRKA-UHFFFAOYSA-N -1 0 328.393 2.759 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001608187849 1097854958 /nfs/dbraw/zinc/85/49/58/1097854958.db2.gz ARCJUWMIPRYJIV-OAHLLOKOSA-N -1 0 326.377 2.858 20 30 EFEDRM N#CCOc1cccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001608189064 1097854999 /nfs/dbraw/zinc/85/49/99/1097854999.db2.gz YWUXXTXWWBTQEM-NTUHNPAUSA-N -1 0 338.294 2.919 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC001608189442 1097855198 /nfs/dbraw/zinc/85/51/98/1097855198.db2.gz SFRLOUOFZNTQET-HUUCEWRRSA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001608188818 1097855520 /nfs/dbraw/zinc/85/55/20/1097855520.db2.gz WPFPQUMZBPQRMX-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001608190038 1097856105 /nfs/dbraw/zinc/85/61/05/1097856105.db2.gz BJJITYLVCMXTDJ-NWDGAFQWSA-N -1 0 344.392 2.509 20 30 EFEDRM N#Cc1c(CN2CCO[C@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC001608190510 1097856622 /nfs/dbraw/zinc/85/66/22/1097856622.db2.gz HUSNEKOZXQEXKP-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#CCc1cccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])n1 ZINC001608189975 1097856798 /nfs/dbraw/zinc/85/67/98/1097856798.db2.gz XNCZVAVBFACUKB-UHFFFAOYSA-N -1 0 334.335 2.508 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCCCCC(=O)C2)cccc1C(=O)[O-] ZINC001608190689 1097856827 /nfs/dbraw/zinc/85/68/27/1097856827.db2.gz JBZSVSUIDUQMIJ-GFCCVEGCSA-N -1 0 329.352 2.839 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1F ZINC001608192451 1097857269 /nfs/dbraw/zinc/85/72/69/1097857269.db2.gz OVGZDPOAJQAFQI-LBPRGKRZSA-N -1 0 336.338 2.847 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)ccc12 ZINC001608195309 1097857325 /nfs/dbraw/zinc/85/73/25/1097857325.db2.gz NOOYERYCOKUKMA-GOPGUHFVSA-N -1 0 337.379 2.897 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])ccn1 ZINC001608194408 1097857394 /nfs/dbraw/zinc/85/73/94/1097857394.db2.gz VBEIOZWPXHKNRM-RDTXWAMCSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001608195297 1097857406 /nfs/dbraw/zinc/85/74/06/1097857406.db2.gz MTCCMPSLNRUOHC-UHFFFAOYSA-N -1 0 349.140 2.542 20 30 EFEDRM N#Cc1cc(Br)ccc1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001608194588 1097857472 /nfs/dbraw/zinc/85/74/72/1097857472.db2.gz ZOTIICGLWSANIX-UHFFFAOYSA-N -1 0 334.173 2.516 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N(CCc2ccccc2)CC(=O)[O-])c(F)c1 ZINC001608197095 1097858389 /nfs/dbraw/zinc/85/83/89/1097858389.db2.gz PVAHEABNBRHCKB-UHFFFAOYSA-N -1 0 344.317 2.606 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)ccn1 ZINC001608195593 1097858435 /nfs/dbraw/zinc/85/84/35/1097858435.db2.gz CTPUNSLIUOUCDE-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1cncc(C(=O)[O-])c1)CCCC2 ZINC001608195823 1097858495 /nfs/dbraw/zinc/85/84/95/1097858495.db2.gz YJRPRLROJLDNHG-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1cc(Cl)ncc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001608197250 1097858535 /nfs/dbraw/zinc/85/85/35/1097858535.db2.gz VBXKGDLPRCZTIW-UHFFFAOYSA-N -1 0 329.743 2.876 20 30 EFEDRM N#Cc1cc(C(=O)Oc2ccccc2C(=O)[O-])cnc1C(F)(F)F ZINC001608196288 1097858543 /nfs/dbraw/zinc/85/85/43/1097858543.db2.gz SQJLLRZRVMFFKJ-UHFFFAOYSA-N -1 0 336.225 2.889 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1F ZINC001608198461 1097858700 /nfs/dbraw/zinc/85/87/00/1097858700.db2.gz IFWXFAXBBRKTIF-CYBMUJFWSA-N -1 0 341.298 2.794 20 30 EFEDRM N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001608197090 1097858705 /nfs/dbraw/zinc/85/87/05/1097858705.db2.gz PHOCDCGJHNNFDA-JMCQJSRRSA-N -1 0 332.253 2.618 20 30 EFEDRM N#Cc1cc2cccnc2nc1N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001608198435 1097858774 /nfs/dbraw/zinc/85/87/74/1097858774.db2.gz GQSSSQDNROWNEN-UHFFFAOYSA-N -1 0 348.337 2.901 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c(F)c1 ZINC001608196566 1097859031 /nfs/dbraw/zinc/85/90/31/1097859031.db2.gz ARXAXPUXIYWRNX-UHFFFAOYSA-N -1 0 342.301 2.733 20 30 EFEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001608199111 1097859422 /nfs/dbraw/zinc/85/94/22/1097859422.db2.gz SDBPCBDZLRIOBC-UHFFFAOYSA-N -1 0 344.754 2.644 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)s1 ZINC001608199906 1097859891 /nfs/dbraw/zinc/85/98/91/1097859891.db2.gz RHRUNZWSEATJGM-UHFFFAOYSA-N -1 0 344.348 2.732 20 30 EFEDRM N#Cc1ccc(C(=O)COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001608198811 1097859965 /nfs/dbraw/zinc/85/99/65/1097859965.db2.gz CVHSCNIDGWOTSS-UHFFFAOYSA-N -1 0 337.331 2.615 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001608198890 1097860130 /nfs/dbraw/zinc/86/01/30/1097860130.db2.gz IFCFCJJFSUYISD-SOFGYWHQSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])nc1Cl ZINC001608199146 1097860203 /nfs/dbraw/zinc/86/02/03/1097860203.db2.gz UTDHDJXPLDREEG-UHFFFAOYSA-N -1 0 327.727 2.508 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(C[C@H]2CCCC[C@@H]2C(=O)[O-])c1=O ZINC001608201406 1097860750 /nfs/dbraw/zinc/86/07/50/1097860750.db2.gz ATJDLMHVWKHWFU-MNOVXSKESA-N -1 0 328.290 2.630 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CC23CCSCC3)C(=O)[O-])cc1 ZINC001608202768 1097860872 /nfs/dbraw/zinc/86/08/72/1097860872.db2.gz WMWAABMOALSMRN-UONOGXRCSA-N -1 0 331.393 2.760 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCc4ccc(C(=O)[O-])cc43)CC2)cc1 ZINC001608203218 1097861267 /nfs/dbraw/zinc/86/12/67/1097861267.db2.gz ACHLLSMUXNZIEH-UHFFFAOYSA-N -1 0 332.359 2.877 20 30 EFEDRM N#Cc1ccc(CN2CC(F)(F)C[C@H]2C(=O)[O-])c(Br)c1 ZINC001608204727 1097861613 /nfs/dbraw/zinc/86/16/13/1097861613.db2.gz OBAZSNMYJRHJIQ-NSHDSACASA-N -1 0 345.143 2.615 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)cc1 ZINC001608203862 1097861648 /nfs/dbraw/zinc/86/16/48/1097861648.db2.gz KRTNHANHEQYLGO-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001608204660 1097861987 /nfs/dbraw/zinc/86/19/87/1097861987.db2.gz HYXMUBZNLAWDMA-UHFFFAOYSA-N -1 0 341.392 2.586 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001608207012 1097862706 /nfs/dbraw/zinc/86/27/06/1097862706.db2.gz UBQVBJOXMJKXFT-UHFFFAOYSA-N -1 0 330.227 2.523 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Sc3ncc(C(=O)[O-])s3)C2=O)cc1 ZINC001608207540 1097862880 /nfs/dbraw/zinc/86/28/80/1097862880.db2.gz RNMJKWMCDDPGRQ-LLVKDONJSA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1ccc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)nc1 ZINC001608207710 1097862911 /nfs/dbraw/zinc/86/29/11/1097862911.db2.gz SYAAZIUTSZOSEO-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001608206151 1097862968 /nfs/dbraw/zinc/86/29/68/1097862968.db2.gz BYNMKXULESXXOQ-WWGRRREGSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001608205448 1097863061 /nfs/dbraw/zinc/86/30/61/1097863061.db2.gz DWMUXUKGIUAYGB-ZJUUUORDSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC001608204980 1097863082 /nfs/dbraw/zinc/86/30/82/1097863082.db2.gz REQWBEZSNAEWNJ-UHFFFAOYSA-N -1 0 345.305 2.534 20 30 EFEDRM N#Cc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(F)c1 ZINC001608204977 1097863340 /nfs/dbraw/zinc/86/33/40/1097863340.db2.gz REOQMWQSKKCIOP-UHFFFAOYSA-N -1 0 330.359 2.739 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001608209399 1097863835 /nfs/dbraw/zinc/86/38/35/1097863835.db2.gz PONWJJSISWPQIQ-JTQLQIEISA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC001608208828 1097864178 /nfs/dbraw/zinc/86/41/78/1097864178.db2.gz BQHMYDVVRGSBNI-SNVBAGLBSA-N -1 0 339.298 2.631 20 30 EFEDRM N#Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)cc1Cl ZINC001608208244 1097864307 /nfs/dbraw/zinc/86/43/07/1097864307.db2.gz LZFHNMCYSBYUKQ-UHFFFAOYSA-N -1 0 332.747 2.525 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001608214191 1097865121 /nfs/dbraw/zinc/86/51/21/1097865121.db2.gz GWKXDUPWMFFVJP-MRXNPFEDSA-N -1 0 336.351 2.851 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)nc2c1 ZINC001608213483 1097865354 /nfs/dbraw/zinc/86/53/54/1097865354.db2.gz NFXMUOFJVKGLCQ-ORAYPTAESA-N -1 0 346.346 2.632 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608214679 1097865831 /nfs/dbraw/zinc/86/58/31/1097865831.db2.gz SCXWCZXGOKHFNH-GVDBMIGSSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])cn3)on2)c1 ZINC001608215001 1097866012 /nfs/dbraw/zinc/86/60/12/1097866012.db2.gz WIRDOTDAWNSKCA-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCc2ccc(F)cc2)C(=O)[O-])c1 ZINC001608216483 1097866043 /nfs/dbraw/zinc/86/60/43/1097866043.db2.gz KPMCESGHSPUEBZ-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001608214929 1097866462 /nfs/dbraw/zinc/86/64/62/1097866462.db2.gz KJGOMJNWGCQQNT-CYBMUJFWSA-N -1 0 341.392 2.733 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNc3ccc(C(=O)[O-])nc3C#N)n2)c1 ZINC001608215256 1097866566 /nfs/dbraw/zinc/86/65/66/1097866566.db2.gz ZPFOLTAPFVGQCY-UHFFFAOYSA-N -1 0 344.334 2.525 20 30 EFEDRM N#Cc1cccc([C@H](N[C@@H]2COc3cc(F)cc(F)c32)C(=O)[O-])c1 ZINC001608216111 1097866573 /nfs/dbraw/zinc/86/65/73/1097866573.db2.gz WGGZHFQWLRVPDA-CJNGLKHVSA-N -1 0 330.290 2.685 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001608218511 1097868284 /nfs/dbraw/zinc/86/82/84/1097868284.db2.gz QBBGCFVAYQSOEG-DAYGRLMNSA-N -1 0 348.358 2.541 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001608218771 1097868439 /nfs/dbraw/zinc/86/84/39/1097868439.db2.gz YNZLVOZWOASUNS-UHFFFAOYSA-N -1 0 325.320 2.882 20 30 EFEDRM N#Cc1ccccc1OCc1cn([C@H]2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC001608219149 1097868593 /nfs/dbraw/zinc/86/85/93/1097868593.db2.gz MIYWIJPORFZSGC-DOMZBBRYSA-N -1 0 326.356 2.545 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4cccc(C(=O)[O-])c4C3)c21 ZINC001608220976 1097869341 /nfs/dbraw/zinc/86/93/41/1097869341.db2.gz NOTIZTVPKBATKL-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1cnc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(F)c1 ZINC001608223330 1097869535 /nfs/dbraw/zinc/86/95/35/1097869535.db2.gz ZSEXZWWOEKQTDH-UHFFFAOYSA-N -1 0 336.326 2.835 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001608221813 1097869875 /nfs/dbraw/zinc/86/98/75/1097869875.db2.gz SKSFMIBYJATCFM-HNNXBMFYSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Nc2ccccc2C(=O)[O-])C1=O ZINC001608223541 1097869983 /nfs/dbraw/zinc/86/99/83/1097869983.db2.gz YPYCQCFFLNQIDB-CYBMUJFWSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001608224543 1097870358 /nfs/dbraw/zinc/87/03/58/1097870358.db2.gz ULGMNJQTBCWLNP-QPUJVOFHSA-N -1 0 329.278 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(N2CCCCC2)nc1 ZINC001608224690 1097870435 /nfs/dbraw/zinc/87/04/35/1097870435.db2.gz ZAXQQDDMEOSIIE-UHFFFAOYSA-N -1 0 337.383 2.649 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001608224375 1097870544 /nfs/dbraw/zinc/87/05/44/1097870544.db2.gz QLAQURPDGRFHSD-UHFFFAOYSA-N -1 0 340.339 2.994 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCS[C@H](c2ccccc2)C1 ZINC001608224131 1097870601 /nfs/dbraw/zinc/87/06/01/1097870601.db2.gz PQJYQZSUNCXZQA-INIZCTEOSA-N -1 0 325.393 2.946 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001608224541 1097870620 /nfs/dbraw/zinc/87/06/20/1097870620.db2.gz ULGMNJQTBCWLNP-PELKAZGASA-N -1 0 329.278 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC(O)(c2cccc3ccccc32)C1 ZINC001608224480 1097870664 /nfs/dbraw/zinc/87/06/64/1097870664.db2.gz YFPRUXOOAGGHOB-UHFFFAOYSA-N -1 0 345.358 2.512 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H](O)c1c(F)cccc1Cl ZINC001608224659 1097870890 /nfs/dbraw/zinc/87/08/90/1097870890.db2.gz YENYFKOWBJJNTP-CYBMUJFWSA-N -1 0 335.722 2.589 20 30 EFEDRM O=C([O-])[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)C#CC1CC1 ZINC001608277869 1097879053 /nfs/dbraw/zinc/87/90/53/1097879053.db2.gz UZAMGGHLADIPMD-ZDUSSCGKSA-N -1 0 326.270 2.658 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)cc1 ZINC001608758181 1098011627 /nfs/dbraw/zinc/01/16/27/1098011627.db2.gz SSLRMHFSEZYCMC-VMPITWQZSA-N -1 0 326.352 2.653 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1ccccc1-n1cncn1 ZINC001608828791 1098035737 /nfs/dbraw/zinc/03/57/37/1098035737.db2.gz XMHPHLRORRWBGL-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM O=C([O-])c1ccc(-c2ccc(C=NNc3ncnc4[nH]cnc43)o2)cc1 ZINC001608868587 1098049661 /nfs/dbraw/zinc/04/96/61/1098049661.db2.gz WGYVMLIDLKPJON-UHFFFAOYSA-N -1 0 348.322 2.757 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC001608879505 1098055170 /nfs/dbraw/zinc/05/51/70/1098055170.db2.gz KSHHSMPXQIWSBU-DOTOQJQBSA-N -1 0 344.411 2.917 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C\c2cnnn2Cc2ccccc2)c1 ZINC001608991034 1098100673 /nfs/dbraw/zinc/10/06/73/1098100673.db2.gz AXCOCKQKKXFDSS-SREVYHEPSA-N -1 0 339.376 2.982 20 30 EFEDRM O=C([O-])c1occc1C=NN1C(=S)N=NC1c1ccccc1F ZINC001609005539 1098106645 /nfs/dbraw/zinc/10/66/45/1098106645.db2.gz YRBZFNBBARLXJA-UHFFFAOYSA-N -1 0 332.316 2.546 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC001609058092 1098124243 /nfs/dbraw/zinc/12/42/43/1098124243.db2.gz PAKJHOSCSHFHSH-IHRRRGAJSA-N -1 0 328.195 2.890 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057706 1098124474 /nfs/dbraw/zinc/12/44/74/1098124474.db2.gz DFILNUCDECLBML-DLBZAZTESA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001609057965 1098124785 /nfs/dbraw/zinc/12/47/85/1098124785.db2.gz LBCPDLXQMFZOGW-STQMWFEESA-N -1 0 342.317 2.945 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001609076149 1098134432 /nfs/dbraw/zinc/13/44/32/1098134432.db2.gz DSIBURYANUHOOD-IRXDYDNUSA-N -1 0 340.423 2.517 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(F)c2)o1 ZINC001609097824 1098144393 /nfs/dbraw/zinc/14/43/93/1098144393.db2.gz XJIXGOVAZQMCQH-UHFFFAOYSA-N -1 0 329.339 2.638 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccc(O)cc2)o1 ZINC001609116045 1098153498 /nfs/dbraw/zinc/15/34/98/1098153498.db2.gz VSQWMPNVBKTEQZ-UHFFFAOYSA-N -1 0 341.375 2.714 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001609153057 1098171149 /nfs/dbraw/zinc/17/11/49/1098171149.db2.gz XJRWNKFQEZLYQG-UHFFFAOYSA-N -1 0 328.343 2.744 20 30 EFEDRM C#CCN(CC1CC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001609153034 1098171653 /nfs/dbraw/zinc/17/16/53/1098171653.db2.gz VGOHFNLVVUAVRU-INIZCTEOSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001609167634 1098181007 /nfs/dbraw/zinc/18/10/07/1098181007.db2.gz OASYILYPXUHMSL-UHFFFAOYSA-N -1 0 346.314 2.759 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])nc1 ZINC001609183769 1098185493 /nfs/dbraw/zinc/18/54/93/1098185493.db2.gz SBHCISBQUQGIMW-OAHLLOKOSA-N -1 0 329.739 2.569 20 30 EFEDRM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc3occc3c2[O-])C1=O ZINC001269504116 1098192310 /nfs/dbraw/zinc/19/23/10/1098192310.db2.gz QELQDOUYYIFQLB-LJQANCHMSA-N -1 0 340.379 2.532 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001609226527 1098212774 /nfs/dbraw/zinc/21/27/74/1098212774.db2.gz RGSVDWUGHDOHQD-GFCCVEGCSA-N -1 0 327.384 2.993 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001609226801 1098212995 /nfs/dbraw/zinc/21/29/95/1098212995.db2.gz WTSPRAOXTJLMFX-SNVBAGLBSA-N -1 0 337.372 2.951 20 30 EFEDRM CCc1ccc(CCCN=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001609251906 1098225905 /nfs/dbraw/zinc/22/59/05/1098225905.db2.gz QVIZMUWDKHCVFP-UHFFFAOYSA-N -1 0 325.376 2.756 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001609259338 1098228563 /nfs/dbraw/zinc/22/85/63/1098228563.db2.gz JQYLHKRRCCYBEN-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609257598 1098229312 /nfs/dbraw/zinc/22/93/12/1098229312.db2.gz JJFGYKQTTYCTGN-QGZVFWFLSA-N -1 0 346.456 2.808 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001609267589 1098231598 /nfs/dbraw/zinc/23/15/98/1098231598.db2.gz YZUKWKDZAJBUHN-KXBFYZLASA-N -1 0 333.428 2.943 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001609264478 1098232175 /nfs/dbraw/zinc/23/21/75/1098232175.db2.gz QXSNDFKMEBBVJT-UHFFFAOYSA-N -1 0 335.784 2.668 20 30 EFEDRM C=C[C@H](CC(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001609266933 1098232472 /nfs/dbraw/zinc/23/24/72/1098232472.db2.gz GJOZYEGETMSQBW-XQZMSQOBSA-N -1 0 343.423 2.968 20 30 EFEDRM C=C[C@@H](Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC001609272223 1098234059 /nfs/dbraw/zinc/23/40/59/1098234059.db2.gz KZUZOUOZADOIEC-QGZVFWFLSA-N -1 0 336.391 2.870 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001609287478 1098239675 /nfs/dbraw/zinc/23/96/75/1098239675.db2.gz RVCCMORTEGKAOM-HNNXBMFYSA-N -1 0 332.400 2.686 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001609320491 1098245994 /nfs/dbraw/zinc/24/59/94/1098245994.db2.gz OCLCFVXTTMRRIX-HZPDHXFCSA-N -1 0 348.468 2.633 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCOCC1 ZINC001609320327 1098246028 /nfs/dbraw/zinc/24/60/28/1098246028.db2.gz GIDOSLFANPCYFB-UHFFFAOYSA-N -1 0 325.311 2.974 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001609320661 1098246731 /nfs/dbraw/zinc/24/67/31/1098246731.db2.gz VYYGSFMWKAWZBL-AWEZNQCLSA-N -1 0 328.368 2.609 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001609329245 1098249706 /nfs/dbraw/zinc/24/97/06/1098249706.db2.gz MMWXPONOTGUXLF-CYBMUJFWSA-N -1 0 332.400 2.801 20 30 EFEDRM C=CCCCS(=O)(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001609341136 1098251687 /nfs/dbraw/zinc/25/16/87/1098251687.db2.gz ZPSBDDNQJVJTCW-UHFFFAOYSA-N -1 0 349.202 2.822 20 30 EFEDRM C=CCN(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1cccs1 ZINC001609356704 1098263640 /nfs/dbraw/zinc/26/36/40/1098263640.db2.gz CWOUISRKCLFJEK-UHFFFAOYSA-N -1 0 336.457 2.640 20 30 EFEDRM C=CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001609356849 1098264604 /nfs/dbraw/zinc/26/46/04/1098264604.db2.gz NKWGTVGVTPPQHZ-UHFFFAOYSA-N -1 0 347.440 2.665 20 30 EFEDRM C=CCN1CC[C@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1=O ZINC001609398962 1098288395 /nfs/dbraw/zinc/28/83/95/1098288395.db2.gz UDRGKMDJEIHVJM-INIZCTEOSA-N -1 0 343.427 2.574 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001609442800 1098325571 /nfs/dbraw/zinc/32/55/71/1098325571.db2.gz GHJDATRXSWBLNE-ZDUSSCGKSA-N -1 0 349.770 2.986 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001609443242 1098325686 /nfs/dbraw/zinc/32/56/86/1098325686.db2.gz WSFQYTVHKXKMTP-CQSZACIVSA-N -1 0 346.408 2.504 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2c(Cl)cccc2Cl)o1 ZINC001609446049 1098327364 /nfs/dbraw/zinc/32/73/64/1098327364.db2.gz JJLINMYLGKFJOU-UHFFFAOYSA-N -1 0 338.158 2.916 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1ccc(Cl)cc1Cl ZINC001609445814 1098328572 /nfs/dbraw/zinc/32/85/72/1098328572.db2.gz VUZGSTGLSSRIAE-UHFFFAOYSA-N -1 0 334.170 2.598 20 30 EFEDRM C=CCc1ccc(OCC(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC001609463844 1098337052 /nfs/dbraw/zinc/33/70/52/1098337052.db2.gz BPIWLMIXVMVQPM-HUUCEWRRSA-N -1 0 348.395 2.989 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccoc1C ZINC001609485225 1098352369 /nfs/dbraw/zinc/35/23/69/1098352369.db2.gz HNVSLRIFMMEEIT-UHFFFAOYSA-N -1 0 335.385 2.559 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)C(=O)[O-])nnc1-c1ccccc1C ZINC001609485192 1098352748 /nfs/dbraw/zinc/35/27/48/1098352748.db2.gz GDZOVGCQHOSVCV-LLVKDONJSA-N -1 0 331.397 2.574 20 30 EFEDRM CC#CCCCC(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609488629 1098354296 /nfs/dbraw/zinc/35/42/96/1098354296.db2.gz GJFSGDHALZUKTN-ZDUSSCGKSA-N -1 0 331.368 2.757 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001609631213 1098410296 /nfs/dbraw/zinc/41/02/96/1098410296.db2.gz UALGJHBQDXVAET-FQEVSTJZSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC001609632569 1098410984 /nfs/dbraw/zinc/41/09/84/1098410984.db2.gz VOMZLKUZOGFBIN-VIFPVBQESA-N -1 0 326.805 2.722 20 30 EFEDRM C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC001609632568 1098411290 /nfs/dbraw/zinc/41/12/90/1098411290.db2.gz VOMZLKUZOGFBIN-SECBINFHSA-N -1 0 326.805 2.722 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCC1 ZINC001609641006 1098413073 /nfs/dbraw/zinc/41/30/73/1098413073.db2.gz SPZNCFXWZMKRTJ-LLVKDONJSA-N -1 0 339.351 2.681 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1 ZINC001609648570 1098415362 /nfs/dbraw/zinc/41/53/62/1098415362.db2.gz LUHPOXOELJWAKP-MRXNPFEDSA-N -1 0 338.363 2.846 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1 ZINC001609647388 1098415446 /nfs/dbraw/zinc/41/54/46/1098415446.db2.gz HZSIKSYTWMSCFF-UHFFFAOYSA-N -1 0 325.324 2.539 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cn1 ZINC001609671612 1098421782 /nfs/dbraw/zinc/42/17/82/1098421782.db2.gz AYFOQXZMPGUALR-UHFFFAOYSA-N -1 0 339.351 2.701 20 30 EFEDRM CC(C)(CC#N)CS(=O)(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001609672623 1098422993 /nfs/dbraw/zinc/42/29/93/1098422993.db2.gz DUCGVDKMMHKSSB-UHFFFAOYSA-N -1 0 331.777 2.687 20 30 EFEDRM CC(C)(NC(=O)C[C@H](CC#N)c1ccccc1)c1cc(C(=O)[O-])on1 ZINC001609678840 1098424631 /nfs/dbraw/zinc/42/46/31/1098424631.db2.gz KUXYKAMEVGVKFJ-ZDUSSCGKSA-N -1 0 341.367 2.812 20 30 EFEDRM CC(C)[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NC1CCCC1 ZINC001609687392 1098427936 /nfs/dbraw/zinc/42/79/36/1098427936.db2.gz HWFOHYMLOYGZAM-INIZCTEOSA-N -1 0 332.400 2.819 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001609687856 1098428266 /nfs/dbraw/zinc/42/82/66/1098428266.db2.gz XMNVRFYQVLSCSQ-INIZCTEOSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])n1C)c1ccc(C#N)cc1 ZINC001609696941 1098430193 /nfs/dbraw/zinc/43/01/93/1098430193.db2.gz HMBJFVAYPBVROI-UHFFFAOYSA-N -1 0 325.368 2.898 20 30 EFEDRM CC(C)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC001609708166 1098433179 /nfs/dbraw/zinc/43/31/79/1098433179.db2.gz QDTWYDOFYANWRX-MRXNPFEDSA-N -1 0 339.351 2.756 20 30 EFEDRM CC(C)Oc1ccc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)cc1Cl ZINC001609712878 1098434679 /nfs/dbraw/zinc/43/46/79/1098434679.db2.gz HDMDLLBLCRYPQR-PLNGDYQASA-N -1 0 349.774 2.699 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)c(C#N)c1)c1ccncc1 ZINC001609728666 1098440391 /nfs/dbraw/zinc/44/03/91/1098440391.db2.gz KWYQAKZESNFJKZ-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C(=O)[O-] ZINC001609756545 1098447790 /nfs/dbraw/zinc/44/77/90/1098447790.db2.gz RMNWUTIXDSFXQP-LBPRGKRZSA-N -1 0 341.371 2.704 20 30 EFEDRM C[C@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001609767442 1098450656 /nfs/dbraw/zinc/45/06/56/1098450656.db2.gz FBNVQAIJPYYGQM-QGZVFWFLSA-N -1 0 330.290 2.566 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001609807805 1098464099 /nfs/dbraw/zinc/46/40/99/1098464099.db2.gz SSIQBNIDILQXLN-CYBMUJFWSA-N -1 0 329.400 2.906 20 30 EFEDRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)NC1(C#N)CCC1 ZINC001609806186 1098464222 /nfs/dbraw/zinc/46/42/22/1098464222.db2.gz XXXPDBQJDNVMOM-SECBINFHSA-N -1 0 345.380 2.569 20 30 EFEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001609832733 1098471278 /nfs/dbraw/zinc/47/12/78/1098471278.db2.gz HANSVFOBWZDPCU-CBAPKCEASA-N -1 0 335.285 2.823 20 30 EFEDRM C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C(=O)[O-])C1 ZINC001609857311 1098478643 /nfs/dbraw/zinc/47/86/43/1098478643.db2.gz RSLQMEGONWIVMU-WMLDXEAASA-N -1 0 344.411 2.819 20 30 EFEDRM CCC(CC)C(=O)N1CCC(=NOCc2ccc(C(=O)[O-])o2)CC1 ZINC001609916446 1098493261 /nfs/dbraw/zinc/49/32/61/1098493261.db2.gz AEIZMBGZKDKYBK-UHFFFAOYSA-N -1 0 336.388 2.909 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929271 1098497216 /nfs/dbraw/zinc/49/72/16/1098497216.db2.gz UEWNUBFATMURED-MRXNPFEDSA-N -1 0 332.743 2.925 20 30 EFEDRM CC[C@@H](O)CNN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001609933866 1098498711 /nfs/dbraw/zinc/49/87/11/1098498711.db2.gz BFFOQZWOTUXUDN-QGZVFWFLSA-N -1 0 342.395 2.658 20 30 EFEDRM CC[C@@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC001609939023 1098499855 /nfs/dbraw/zinc/49/98/55/1098499855.db2.gz TXBUWEXTXSKMAA-SKVAFPRGSA-N -1 0 345.273 2.764 20 30 EFEDRM CCC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001609957219 1098506567 /nfs/dbraw/zinc/50/65/67/1098506567.db2.gz YAAULCHALPGSQN-HNNXBMFYSA-N -1 0 329.400 2.928 20 30 EFEDRM CCCCN(C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001609969501 1098510401 /nfs/dbraw/zinc/51/04/01/1098510401.db2.gz DZKORCGGIBGNBW-UHFFFAOYSA-N -1 0 343.427 2.753 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1nc(C)c(C#N)cc1Cl ZINC001610032949 1098526028 /nfs/dbraw/zinc/52/60/28/1098526028.db2.gz IHIQDKRZDOAWTE-LLVKDONJSA-N -1 0 339.823 2.869 20 30 EFEDRM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1nc(CC(=O)[O-])cs1 ZINC001610095669 1098546085 /nfs/dbraw/zinc/54/60/85/1098546085.db2.gz VDBJJVHUEKORRX-UHFFFAOYSA-N -1 0 335.772 2.572 20 30 EFEDRM CN(C)Cc1cnc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001610101014 1098547755 /nfs/dbraw/zinc/54/77/55/1098547755.db2.gz BTNWDWFUEUHSKC-BQYQJAHWSA-N -1 0 346.408 2.564 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001610117948 1098551476 /nfs/dbraw/zinc/55/14/76/1098551476.db2.gz CSSDWOUYJLOYEY-UHFFFAOYSA-N -1 0 349.390 2.777 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ncc(C#N)cc1Cl ZINC001610123775 1098553821 /nfs/dbraw/zinc/55/38/21/1098553821.db2.gz MYQIZEKCVWGSFV-UHFFFAOYSA-N -1 0 331.759 2.706 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cccc(Cl)c3[O-])C2)C1=O ZINC001269982583 1098559184 /nfs/dbraw/zinc/55/91/84/1098559184.db2.gz DEJJHZVUCPPHCT-SFHVURJKSA-N -1 0 348.830 2.686 20 30 EFEDRM COC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001610155926 1098559548 /nfs/dbraw/zinc/55/95/48/1098559548.db2.gz UBXLXPRKLXOKHQ-YVEFUNNKSA-N -1 0 338.363 2.821 20 30 EFEDRM COC(=O)c1cc(COc2ccc(C#N)cc2OC)cc(C(=O)[O-])c1 ZINC001610199332 1098568184 /nfs/dbraw/zinc/56/81/84/1098568184.db2.gz DEHWZMGJPFDWFJ-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1cc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])ccc1C ZINC001610203316 1098570371 /nfs/dbraw/zinc/57/03/71/1098570371.db2.gz IXRCMRNHONLBMJ-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM COCc1cc(NC(=O)N2CCC(C)(C#N)CC2)cc(C(=O)[O-])c1 ZINC001610269982 1098594312 /nfs/dbraw/zinc/59/43/12/1098594312.db2.gz KZIULDWQNBWZOJ-UHFFFAOYSA-N -1 0 331.372 2.689 20 30 EFEDRM COc1cc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)ccc1C#N ZINC001610297942 1098608750 /nfs/dbraw/zinc/60/87/50/1098608750.db2.gz UEKWMUMICIGHDC-INIZCTEOSA-N -1 0 332.306 2.761 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(SC[C@@H](C)C(=O)[O-])c2c1 ZINC001610306568 1098613072 /nfs/dbraw/zinc/61/30/72/1098613072.db2.gz ODZYSBOFVSHMNS-SECBINFHSA-N -1 0 332.381 2.936 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001610312427 1098616118 /nfs/dbraw/zinc/61/61/18/1098616118.db2.gz YZYZMNYUKAJFPZ-OLZOCXBDSA-N -1 0 331.372 2.722 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccc(C#N)c2)cc1 ZINC001610318876 1098619091 /nfs/dbraw/zinc/61/90/91/1098619091.db2.gz CEJSLRALMPSXJR-INIZCTEOSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-] ZINC001610333027 1098625560 /nfs/dbraw/zinc/62/55/60/1098625560.db2.gz CFJHSAALMFFGSX-UHFFFAOYSA-N -1 0 344.754 2.848 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001610334669 1098626072 /nfs/dbraw/zinc/62/60/72/1098626072.db2.gz FHMIPLJQJRAVBY-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC001610352306 1098633926 /nfs/dbraw/zinc/63/39/26/1098633926.db2.gz SINCCGLAFCMCIQ-HNNXBMFYSA-N -1 0 337.379 2.806 20 30 EFEDRM COc1cccc(O)c1/C=N\[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001610357456 1098636987 /nfs/dbraw/zinc/63/69/87/1098636987.db2.gz YZGAFAFPGGWSSV-SJJOQSKNSA-N -1 0 338.363 2.997 20 30 EFEDRM Cc1c(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419240 1098667094 /nfs/dbraw/zinc/66/70/94/1098667094.db2.gz KAZRBWWDZOOHPK-VIFPVBQESA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001610418398 1098667357 /nfs/dbraw/zinc/66/73/57/1098667357.db2.gz ISZWUUXORCPDOF-HNNXBMFYSA-N -1 0 333.347 2.886 20 30 EFEDRM Cc1c(NC(=O)Cc2ccc(C#N)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610420413 1098667418 /nfs/dbraw/zinc/66/74/18/1098667418.db2.gz POJHWLCFHZPXLT-UHFFFAOYSA-N -1 0 339.307 2.654 20 30 EFEDRM Cc1c(NCCOc2ccc(C#N)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610426233 1098672249 /nfs/dbraw/zinc/67/22/49/1098672249.db2.gz HLPNGAMPSCJUOM-UHFFFAOYSA-N -1 0 341.323 2.964 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001610432979 1098673846 /nfs/dbraw/zinc/67/38/46/1098673846.db2.gz RDSSPHZLHVTGAZ-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C)c1OCC(=O)[O-] ZINC001610435052 1098675483 /nfs/dbraw/zinc/67/54/83/1098675483.db2.gz DEKKNQBBRSAPJM-HNNXBMFYSA-N -1 0 344.411 2.921 20 30 EFEDRM Cc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)nn1C(C)C ZINC001610445731 1098682229 /nfs/dbraw/zinc/68/22/29/1098682229.db2.gz NIHZZATUASUVEI-UHFFFAOYSA-N -1 0 327.340 2.699 20 30 EFEDRM Cc1cc(C=NN[C@H](C)c2ccncc2)cc(C)c1OCC(=O)[O-] ZINC001610458842 1098692114 /nfs/dbraw/zinc/69/21/14/1098692114.db2.gz DQXCXOPIUPOJMW-CQSZACIVSA-N -1 0 327.384 2.847 20 30 EFEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)COCC(=O)[O-] ZINC001610476912 1098699803 /nfs/dbraw/zinc/69/98/03/1098699803.db2.gz KKDOLHLLPPJAKM-UHFFFAOYSA-N -1 0 340.335 2.699 20 30 EFEDRM Cc1cnc(N2CCC(C#N)(C(=O)[O-])CC2)nc1-c1ccccc1F ZINC001610540094 1098741893 /nfs/dbraw/zinc/74/18/93/1098741893.db2.gz XKRPXLLRQSFHQX-UHFFFAOYSA-N -1 0 340.358 2.786 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCCOc2cccc(C(=O)[O-])c2)n1 ZINC001610552770 1098747357 /nfs/dbraw/zinc/74/73/57/1098747357.db2.gz FYXHAKKPKIJSEC-UHFFFAOYSA-N -1 0 329.381 2.834 20 30 EFEDRM Cc1nc(Cl)ccc1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610556428 1098751813 /nfs/dbraw/zinc/75/18/13/1098751813.db2.gz FQCJAFYWGISPPB-INIZCTEOSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)nc1C(=O)[O-] ZINC001610592896 1098773577 /nfs/dbraw/zinc/77/35/77/1098773577.db2.gz YWOGUVWVEGXUOD-ZDUSSCGKSA-N -1 0 341.392 2.999 20 30 EFEDRM Cn1cc(C#N)c(NC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001610599494 1098777821 /nfs/dbraw/zinc/77/78/21/1098777821.db2.gz MOHUSSOLEBOEBV-AWEZNQCLSA-N -1 0 347.419 2.617 20 30 EFEDRM Cn1ccc2ccc(NCc3cccc(C(=O)[O-])c3C#N)cc2c1=O ZINC001610609696 1098783423 /nfs/dbraw/zinc/78/34/23/1098783423.db2.gz MRLYBALVUKWUEU-UHFFFAOYSA-N -1 0 333.347 2.720 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC001610618736 1098785758 /nfs/dbraw/zinc/78/57/58/1098785758.db2.gz JBRFLIONDYPAKT-UHFFFAOYSA-N -1 0 328.393 2.661 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001610619358 1098786126 /nfs/dbraw/zinc/78/61/26/1098786126.db2.gz SZNZUJHAABLAOV-KBPBESRZSA-N -1 0 332.787 2.660 20 30 EFEDRM N#CC1(CC[S@](=O)Cc2nc(C(=O)[O-])cs2)CCCCC1 ZINC001610619518 1098786339 /nfs/dbraw/zinc/78/63/39/1098786339.db2.gz LFCNWDJERMRBKY-NRFANRHFSA-N -1 0 326.443 2.954 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC001610619519 1098786383 /nfs/dbraw/zinc/78/63/83/1098786383.db2.gz WWKNVYODKHQMKV-SNVBAGLBSA-N -1 0 338.241 2.991 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC001610617928 1098786485 /nfs/dbraw/zinc/78/64/85/1098786485.db2.gz QPIRXIVWPYAIQP-UHFFFAOYSA-N -1 0 342.395 2.839 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001610620754 1098787231 /nfs/dbraw/zinc/78/72/31/1098787231.db2.gz URQZZTHAEZOAAM-UHFFFAOYSA-N -1 0 339.370 2.976 20 30 EFEDRM N#CCOc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001610622857 1098787360 /nfs/dbraw/zinc/78/73/60/1098787360.db2.gz KJRIDPJVWCDNRE-UHFFFAOYSA-N -1 0 329.352 2.667 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC001610623043 1098787529 /nfs/dbraw/zinc/78/75/29/1098787529.db2.gz GFLWAECHDJEVMJ-AAEUAGOBSA-N -1 0 342.399 2.539 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001610621632 1098787623 /nfs/dbraw/zinc/78/76/23/1098787623.db2.gz OEGKBYNXVSTJQD-UHFFFAOYSA-N -1 0 345.330 2.994 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC001610619680 1098787664 /nfs/dbraw/zinc/78/76/64/1098787664.db2.gz YUIAPJWXJOMFFQ-MRXNPFEDSA-N -1 0 341.411 2.580 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001610621908 1098787678 /nfs/dbraw/zinc/78/76/78/1098787678.db2.gz ZXIFUPFZGZZNBI-GDBMZVCRSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001610621609 1098787783 /nfs/dbraw/zinc/78/77/83/1098787783.db2.gz MXTMZMXGMFJAOQ-UHFFFAOYSA-N -1 0 329.400 2.653 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC001610621878 1098787800 /nfs/dbraw/zinc/78/78/00/1098787800.db2.gz YLZAMLOYVKENQV-TWGQIWQCSA-N -1 0 335.363 2.735 20 30 EFEDRM N#CC[C@@H](CC(=O)OCC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001610621114 1098788167 /nfs/dbraw/zinc/78/81/67/1098788167.db2.gz WMRIZYKRMVTMTL-ZDUSSCGKSA-N -1 0 341.319 2.791 20 30 EFEDRM N#CC1(c2ccc(C(=O)N(CCC(=O)[O-])Cc3ccncc3)cc2)CC1 ZINC001610620280 1098788371 /nfs/dbraw/zinc/78/83/71/1098788371.db2.gz KEOKRNCFVOLUEQ-UHFFFAOYSA-N -1 0 349.390 2.754 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001610624070 1098788841 /nfs/dbraw/zinc/78/88/41/1098788841.db2.gz BTTMITDUBUIVBQ-UHFFFAOYSA-N -1 0 349.390 2.719 20 30 EFEDRM N#CCc1ccccc1CC(=O)OCCOc1ccccc1C(=O)[O-] ZINC001610624255 1098789106 /nfs/dbraw/zinc/78/91/06/1098789106.db2.gz JRIFRHWSBCBBCF-UHFFFAOYSA-N -1 0 339.347 2.616 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001610624733 1098789345 /nfs/dbraw/zinc/78/93/45/1098789345.db2.gz CPSNMUHUDBOBJF-SECBINFHSA-N -1 0 325.699 2.512 20 30 EFEDRM N#Cc1c(CN2CCO[C@]3(CCc4ccccc43)C2)cccc1C(=O)[O-] ZINC001610623294 1098789392 /nfs/dbraw/zinc/78/93/92/1098789392.db2.gz LBRWBWFTTZWVTD-OAQYLSRUSA-N -1 0 348.402 2.930 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001610624620 1098789436 /nfs/dbraw/zinc/78/94/36/1098789436.db2.gz WPXSZZXDHRAGPD-LJQANCHMSA-N -1 0 334.375 2.506 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])o1 ZINC001610623170 1098789451 /nfs/dbraw/zinc/78/94/51/1098789451.db2.gz JTSWPBGDAFSFMU-UHFFFAOYSA-N -1 0 335.699 2.891 20 30 EFEDRM N#Cc1c(CN2Cc3cnn(-c4ccccc4)c3C2)cccc1C(=O)[O-] ZINC001610623913 1098789484 /nfs/dbraw/zinc/78/94/84/1098789484.db2.gz YUBCZFIWSNNPJE-UHFFFAOYSA-N -1 0 344.374 2.958 20 30 EFEDRM N#Cc1c(NC(=O)Cc2cccc(C(=O)[O-])c2)sc2c1CCC2 ZINC001610623971 1098789689 /nfs/dbraw/zinc/78/96/89/1098789689.db2.gz FWQOHADJPWCVDE-UHFFFAOYSA-N -1 0 326.377 2.988 20 30 EFEDRM N#Cc1c(COC(=O)COc2ccc(F)cc2F)cccc1C(=O)[O-] ZINC001610624708 1098790003 /nfs/dbraw/zinc/79/00/03/1098790003.db2.gz BJPYWFZXHYAJBG-UHFFFAOYSA-N -1 0 347.273 2.657 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610626251 1098790891 /nfs/dbraw/zinc/79/08/91/1098790891.db2.gz PKRFNNCFNLJEBA-AWEZNQCLSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)CCCC2 ZINC001610625888 1098791146 /nfs/dbraw/zinc/79/11/46/1098791146.db2.gz DZLTXCWLTGDFGM-STQMWFEESA-N -1 0 327.384 2.662 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCc2cc(Cl)cc(Cl)c2)c1=O ZINC001610625067 1098791194 /nfs/dbraw/zinc/79/11/94/1098791194.db2.gz HSMZZPYNAOBTAJ-UHFFFAOYSA-N -1 0 337.162 2.968 20 30 EFEDRM N#Cc1c(COC(=O)c2csc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001610625129 1098791328 /nfs/dbraw/zinc/79/13/28/1098791328.db2.gz NNBALHDGNMZYQG-UHFFFAOYSA-N -1 0 332.293 2.583 20 30 EFEDRM N#Cc1cc(C(=O)NCCCCCCC(=O)[O-])cnc1C(F)(F)F ZINC001610624963 1098791433 /nfs/dbraw/zinc/79/14/33/1098791433.db2.gz FNWZNURKJLDOEL-UHFFFAOYSA-N -1 0 343.305 2.737 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001610626847 1098791857 /nfs/dbraw/zinc/79/18/57/1098791857.db2.gz XXKAQOHGIKXPGM-HNNXBMFYSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001610627059 1098791938 /nfs/dbraw/zinc/79/19/38/1098791938.db2.gz JCURSZKBHDOUOS-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)nc1 ZINC001610627538 1098792008 /nfs/dbraw/zinc/79/20/08/1098792008.db2.gz AXLXNJZTPIAHGJ-UHFFFAOYSA-N -1 0 348.721 2.766 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1O ZINC001610626832 1098792435 /nfs/dbraw/zinc/79/24/35/1098792435.db2.gz XDVAALLZLSCAKT-HOTGVXAUSA-N -1 0 342.395 2.759 20 30 EFEDRM N#Cc1ccc(CCC(=O)OCCOc2cccc(C(=O)[O-])c2)cc1 ZINC001610627849 1098792567 /nfs/dbraw/zinc/79/25/67/1098792567.db2.gz IPPVRAQCLNCVSX-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC001610627636 1098792612 /nfs/dbraw/zinc/79/26/12/1098792612.db2.gz DFPVFSVYBBSGGT-UHFFFAOYSA-N -1 0 332.787 2.863 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)o1 ZINC001610627485 1098792906 /nfs/dbraw/zinc/79/29/06/1098792906.db2.gz JEOISLZGBTZMDU-UHFFFAOYSA-N -1 0 336.097 2.831 20 30 EFEDRM N#Cc1ccc(CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC001610627784 1098792915 /nfs/dbraw/zinc/79/29/15/1098792915.db2.gz GZSLSRMRZQPRRQ-UHFFFAOYSA-N -1 0 349.390 2.860 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001610628333 1098793566 /nfs/dbraw/zinc/79/35/66/1098793566.db2.gz YRMZEACIDWLCPK-QZTJIDSGSA-N -1 0 349.390 2.568 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Oc3ccc(C(=O)[O-])cc3)n2)c1 ZINC001610630665 1098793992 /nfs/dbraw/zinc/79/39/92/1098793992.db2.gz XHUIZCPBDISETN-UHFFFAOYSA-N -1 0 333.303 2.661 20 30 EFEDRM N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001610628238 1098794112 /nfs/dbraw/zinc/79/41/12/1098794112.db2.gz SXSRNNNCJASNII-UHFFFAOYSA-N -1 0 333.347 2.528 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001610628879 1098794253 /nfs/dbraw/zinc/79/42/53/1098794253.db2.gz BDELQYPLUIVKAN-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610630854 1098794514 /nfs/dbraw/zinc/79/45/14/1098794514.db2.gz DKEHXRHPZYWJFE-SFHVURJKSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ccc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001610628565 1098794758 /nfs/dbraw/zinc/79/47/58/1098794758.db2.gz KCEPKNIQUXKEQN-GOSISDBHSA-N -1 0 337.335 2.699 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2nc(Cl)ccc2F)C(=O)[O-])c1 ZINC001610631941 1098795423 /nfs/dbraw/zinc/79/54/23/1098795423.db2.gz NDANIBIIEIKZKA-ZDUSSCGKSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001610632833 1098795506 /nfs/dbraw/zinc/79/55/06/1098795506.db2.gz XTBBZFBCSMVTIS-RBUKOAKNSA-N -1 0 346.386 2.945 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1cc(C(=O)[O-])co1 ZINC001610632991 1098795578 /nfs/dbraw/zinc/79/55/78/1098795578.db2.gz OYNWQPJCMBTHFK-UHFFFAOYSA-N -1 0 330.365 2.513 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001610632551 1098796070 /nfs/dbraw/zinc/79/60/70/1098796070.db2.gz QNEYAFIXHDNPAQ-JKSUJKDBSA-N -1 0 326.396 2.956 20 30 EFEDRM N#Cc1cccc(OC2CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)c1 ZINC001610632195 1098796213 /nfs/dbraw/zinc/79/62/13/1098796213.db2.gz GNQKNULCEWHAKH-UHFFFAOYSA-N -1 0 340.335 2.533 20 30 EFEDRM NC(=NOCc1ccc(C(=O)[O-])cc1F)c1nccc2ccccc21 ZINC001610635684 1098797064 /nfs/dbraw/zinc/79/70/64/1098797064.db2.gz FNJHVBNHIWKCCR-UHFFFAOYSA-N -1 0 339.326 2.909 20 30 EFEDRM N#Cc1ccncc1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001610633270 1098797124 /nfs/dbraw/zinc/79/71/24/1098797124.db2.gz FMDMZSDSKBLBSW-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001610633292 1098797332 /nfs/dbraw/zinc/79/73/32/1098797332.db2.gz FKUYYBPQLMNHOH-UHFFFAOYSA-N -1 0 334.378 2.704 20 30 EFEDRM O=C([O-])[C@H](CC(F)F)NC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001610680776 1098825187 /nfs/dbraw/zinc/82/51/87/1098825187.db2.gz DIQGJIBEPLMWDX-ZETCQYMHSA-N -1 0 347.186 2.822 20 30 EFEDRM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC001610681644 1098825521 /nfs/dbraw/zinc/82/55/21/1098825521.db2.gz OSUCBICGUKLHGY-SSDOTTSWSA-N -1 0 347.186 2.822 20 30 EFEDRM O=C([O-])C1(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 ZINC001610725452 1098850959 /nfs/dbraw/zinc/85/09/59/1098850959.db2.gz CUTUQBHGFNTKLQ-UHFFFAOYSA-N -1 0 344.154 2.565 20 30 EFEDRM CC(=O)Oc1ccc(/C=C/C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001143510967 1098888148 /nfs/dbraw/zinc/88/81/48/1098888148.db2.gz MKUNWGUHAVYWQX-QPJJXVBHSA-N -1 0 340.310 2.980 20 30 EFEDRM O=C([O-])c1cc(C=NNc2ccc(Br)c(F)c2)on1 ZINC001610811399 1098906065 /nfs/dbraw/zinc/90/60/65/1098906065.db2.gz VKWNNRQXSKZHHM-UHFFFAOYSA-N -1 0 328.097 2.720 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC001610866864 1098945443 /nfs/dbraw/zinc/94/54/43/1098945443.db2.gz UYQAWLANODQYNK-WAYWQWQTSA-N -1 0 327.292 2.831 20 30 EFEDRM O=C([O-])c1occc1/C=C\C(=O)c1cc2c(s1)SCC(=O)N2 ZINC001610886807 1098959797 /nfs/dbraw/zinc/95/97/97/1098959797.db2.gz LEULAPCLPRGQMK-UPHRSURJSA-N -1 0 335.362 2.980 20 30 EFEDRM Cc1n[nH]c(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)c1[O-] ZINC001634082671 1100583266 /nfs/dbraw/zinc/58/32/66/1100583266.db2.gz RTZHZRUCHKLCTF-UHFFFAOYSA-N -1 0 338.392 2.954 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1[O-] ZINC000785409026 1101282581 /nfs/dbraw/zinc/28/25/81/1101282581.db2.gz SUURZWJUHIDTKQ-UHFFFAOYSA-N -1 0 339.326 2.782 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001142045802 1102434848 /nfs/dbraw/zinc/43/48/48/1102434848.db2.gz JLNDTYUKOINRHA-UHFFFAOYSA-N -1 0 330.347 2.652 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748133288 1102693530 /nfs/dbraw/zinc/69/35/30/1102693530.db2.gz KHFBNIVVVWJDCP-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1sccc1C#N ZINC000906068276 1103879242 /nfs/dbraw/zinc/87/92/42/1103879242.db2.gz ICJCCYPFNDEKRJ-AWEZNQCLSA-N -1 0 336.438 2.619 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)N=S(=O)(CC)CC)c1C#N ZINC000906072407 1103881783 /nfs/dbraw/zinc/88/17/83/1103881783.db2.gz JAJQDZPVXTVPAW-UHFFFAOYSA-N -1 0 349.503 2.655 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1C#N ZINC000906073598 1103904705 /nfs/dbraw/zinc/90/47/05/1103904705.db2.gz PRMQGGUWZKUHGC-UHFFFAOYSA-N -1 0 338.458 2.642 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000906075206 1103905308 /nfs/dbraw/zinc/90/53/08/1103905308.db2.gz ZUVBWCWZCPNMAO-UHFFFAOYSA-N -1 0 334.422 2.918 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccccc3)sc2C1 ZINC000906075980 1103906486 /nfs/dbraw/zinc/90/64/86/1103906486.db2.gz RYIIWOFFWZAUIF-LLVKDONJSA-N -1 0 348.449 2.924 20 30 EFEDRM CC(=NN(C)C[C@@H](C)O)c1cc(Br)cc(Cl)c1[O-] ZINC000841649425 1104271136 /nfs/dbraw/zinc/27/11/36/1104271136.db2.gz BXZLGOJPVNATOS-SSDOTTSWSA-N -1 0 335.629 2.845 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)COCCc1ccc(Br)cc1 ZINC000898281495 1106303017 /nfs/dbraw/zinc/30/30/17/1106303017.db2.gz XUEYZMQUDLYABC-NSHDSACASA-N -1 0 328.206 2.631 20 30 EFEDRM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N(O)Cc1ccc(F)cc1 ZINC000904172802 1107689177 /nfs/dbraw/zinc/68/91/77/1107689177.db2.gz CJKARFNLIXIBOM-AWEZNQCLSA-N -1 0 345.436 2.785 20 30 EFEDRM O=C(Cc1cccc(N2CCCC2=O)c1)N(O)Cc1ccc(F)cc1 ZINC000904173284 1107689197 /nfs/dbraw/zinc/68/91/97/1107689197.db2.gz IFHKDFJOLMDRIZ-UHFFFAOYSA-N -1 0 342.370 2.913 20 30 EFEDRM C=C(C)CN1CCC2(CCN(C(=O)c3c([O-])cccc3F)CC2)C1=O ZINC001272389020 1108161036 /nfs/dbraw/zinc/16/10/36/1108161036.db2.gz PWKGZNXSBDUFDE-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176404296 1108456824 /nfs/dbraw/zinc/45/68/24/1108456824.db2.gz BGCGIEPLURJQCY-LBPRGKRZSA-N -1 0 329.400 2.677 20 30 EFEDRM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176402033 1108457106 /nfs/dbraw/zinc/45/71/06/1108457106.db2.gz NAVNVLDVLBEBJW-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccncc1 ZINC000780575755 1108653986 /nfs/dbraw/zinc/65/39/86/1108653986.db2.gz FVDOWHMWNPNTNQ-DLBZAZTESA-N -1 0 339.395 2.694 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccncc1 ZINC000780575756 1108654478 /nfs/dbraw/zinc/65/44/78/1108654478.db2.gz FVDOWHMWNPNTNQ-IAGOWNOFSA-N -1 0 339.395 2.694 20 30 EFEDRM C=CCCO[N-]C(=O)COCCc1ccc(Br)cc1 ZINC000898939445 1109144433 /nfs/dbraw/zinc/14/44/33/1109144433.db2.gz PKUBJKWMRQUGOA-UHFFFAOYSA-N -1 0 328.206 2.632 20 30 EFEDRM C=C(C)CN1CCC2(CCN(C(=O)c3cccc(F)c3[O-])CC2)C1=O ZINC001272234880 1109165385 /nfs/dbraw/zinc/16/53/85/1109165385.db2.gz RZUIJSCUKQIHQD-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM CCn1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c(C)n1 ZINC000899351025 1109296748 /nfs/dbraw/zinc/29/67/48/1109296748.db2.gz XHMBACNSZUWJFM-MMQHEFTJSA-N -1 0 328.368 2.959 20 30 EFEDRM CCn1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c(C)n1 ZINC000899351024 1109296934 /nfs/dbraw/zinc/29/69/34/1109296934.db2.gz XHMBACNSZUWJFM-LJTDUEICSA-N -1 0 328.368 2.959 20 30 EFEDRM CCn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000899388151 1109306261 /nfs/dbraw/zinc/30/62/61/1109306261.db2.gz YPSBDHYUMHASGY-SREVYHEPSA-N -1 0 329.356 2.680 20 30 EFEDRM CC[C@H](Sc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000842323276 1109446757 /nfs/dbraw/zinc/44/67/57/1109446757.db2.gz ILZILFVJAPPMHG-KBPBESRZSA-N -1 0 327.409 2.883 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-] ZINC000899813888 1109500113 /nfs/dbraw/zinc/50/01/13/1109500113.db2.gz WDDJUGXCOQJZNZ-REVCEQPZSA-N -1 0 343.354 2.689 20 30 EFEDRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)C1(C)C ZINC000042325169 1109645082 /nfs/dbraw/zinc/64/50/82/1109645082.db2.gz AZTPMIMSEHAPHR-CHWSQXEVSA-N -1 0 339.461 2.921 20 30 EFEDRM CN(C)c1ccc(C(=O)[O-])cc1C=NN1C(=S)N=NC1C(C)(C)C ZINC000901139606 1109818989 /nfs/dbraw/zinc/81/89/89/1109818989.db2.gz SGQJSPFYHIUDJS-UHFFFAOYSA-N -1 0 347.444 2.511 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc(C)c1F ZINC000153193092 1111197611 /nfs/dbraw/zinc/19/76/11/1111197611.db2.gz AZWUNQJHZNEDAO-OAHLLOKOSA-N -1 0 334.391 2.696 20 30 EFEDRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000914535662 1111244363 /nfs/dbraw/zinc/24/43/63/1111244363.db2.gz ZOIAQCFNMRDKGL-UHFFFAOYSA-N -1 0 328.335 2.776 20 30 EFEDRM CC(=NN(C)[C@@H](C)CO)c1cc(Br)cc(Cl)c1[O-] ZINC000842543230 1111261935 /nfs/dbraw/zinc/26/19/35/1111261935.db2.gz YXOGEDFEWAAJNQ-ZETCQYMHSA-N -1 0 335.629 2.845 20 30 EFEDRM CC(C)c1ncc(Br)c(C([O-])=C(C#N)c2nccn2C)n1 ZINC001122518105 1111314965 /nfs/dbraw/zinc/31/49/65/1111314965.db2.gz NMEDLOGRRQTGRZ-SECBINFHSA-N -1 0 348.204 2.586 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000916877129 1111994062 /nfs/dbraw/zinc/99/40/62/1111994062.db2.gz BWNYKQGVZOMVID-GFCCVEGCSA-N -1 0 342.355 2.705 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccc(C)n2)cc1 ZINC000916878407 1111994313 /nfs/dbraw/zinc/99/43/13/1111994313.db2.gz UPVVWKYFCMZDLE-QGZVFWFLSA-N -1 0 338.411 2.810 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916885682 1111994410 /nfs/dbraw/zinc/99/44/10/1111994410.db2.gz AIABLZHMGOCFMN-ZDUSSCGKSA-N -1 0 347.296 2.739 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1OC ZINC000916893193 1111995165 /nfs/dbraw/zinc/99/51/65/1111995165.db2.gz VGYDNVZJTAURDW-HNNXBMFYSA-N -1 0 344.411 2.865 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000916922377 1111997993 /nfs/dbraw/zinc/99/79/93/1111997993.db2.gz XCEFTPONLKYGKX-MRXNPFEDSA-N -1 0 340.404 2.952 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000916921598 1111998123 /nfs/dbraw/zinc/99/81/23/1111998123.db2.gz VVRHOCOGLCSZEG-WBMJQRKESA-N -1 0 335.407 2.917 20 30 EFEDRM C[C@@H](Oc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cn1)c1ccccc1 ZINC000916927530 1112000575 /nfs/dbraw/zinc/00/05/75/1112000575.db2.gz LFWOYKBNEBPQPI-CXAGYDPISA-N -1 0 349.390 2.823 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1noc2c1CCCC2 ZINC000916933304 1112001159 /nfs/dbraw/zinc/00/11/59/1112001159.db2.gz CRTMYSLQLVTIDE-GFCCVEGCSA-N -1 0 339.351 2.523 20 30 EFEDRM Cc1cccc(C)c1OC[C@@H](O)C/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000920387860 1112339717 /nfs/dbraw/zinc/33/97/17/1112339717.db2.gz VBVJUQLANCYYAX-SCPBCGJWSA-N -1 0 344.367 2.776 20 30 EFEDRM CCc1c([O-])nc(SCCCC#N)n(-c2ccccc2OC)c1=O ZINC000171116636 529498635 /nfs/dbraw/zinc/49/86/35/529498635.db2.gz RONLFODZSBIYAR-UHFFFAOYSA-N -1 0 345.424 2.905 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000262468932 240355573 /nfs/dbraw/zinc/35/55/73/240355573.db2.gz ZLWNDSZJJKUSKO-LBPRGKRZSA-N -1 0 325.792 2.734 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000262468930 240357628 /nfs/dbraw/zinc/35/76/28/240357628.db2.gz ZLWNDSZJJKUSKO-GFCCVEGCSA-N -1 0 325.792 2.734 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Br)n2)c1 ZINC000035678991 202308286 /nfs/dbraw/zinc/30/82/86/202308286.db2.gz UMPYKMGWJGYZOC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000071919653 202364806 /nfs/dbraw/zinc/36/48/06/202364806.db2.gz UNMOVWPCILVFLM-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM C=CCc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc(OC)c1OC ZINC000262666747 240363856 /nfs/dbraw/zinc/36/38/56/240363856.db2.gz VZDHZONTWZWXLJ-NSHDSACASA-N -1 0 333.384 2.510 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262780188 240366548 /nfs/dbraw/zinc/36/65/48/240366548.db2.gz AZBWCOPCUFWQKJ-NSHDSACASA-N -1 0 336.438 2.950 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000262780220 240366902 /nfs/dbraw/zinc/36/69/02/240366902.db2.gz BAEUBTPURAOLFP-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)Nc1cccc(C#N)c1 ZINC000064479674 201054685 /nfs/dbraw/zinc/05/46/85/201054685.db2.gz HECLUNSBNIELRW-UHFFFAOYSA-N -1 0 349.799 2.835 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000055550842 201134461 /nfs/dbraw/zinc/13/44/61/201134461.db2.gz MWZGFGCMGNBFAO-UHFFFAOYSA-N -1 0 342.376 2.546 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000262263748 201202539 /nfs/dbraw/zinc/20/25/39/201202539.db2.gz RMRPMOBUZVXGPH-IFXJQAMLSA-N -1 0 345.395 2.587 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@@H](CCC)C(=O)[O-])cc(OC)c1OC ZINC000263226440 201207912 /nfs/dbraw/zinc/20/79/12/201207912.db2.gz RPLRRAAXBKJHLZ-CYBMUJFWSA-N -1 0 335.400 2.663 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000262699084 201205196 /nfs/dbraw/zinc/20/51/96/201205196.db2.gz YHGGNNWUWQBXJY-CQSZACIVSA-N -1 0 335.400 2.661 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2)CCC1 ZINC000263085010 201206511 /nfs/dbraw/zinc/20/65/11/201206511.db2.gz ZNXZZZIFJSVNDD-LBPRGKRZSA-N -1 0 330.384 2.574 20 30 EFEDRM O=C([O-])CCCCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000263260191 201207052 /nfs/dbraw/zinc/20/70/52/201207052.db2.gz GEVXFIPFDAUDPM-UHFFFAOYSA-N -1 0 327.302 2.818 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263475838 201207559 /nfs/dbraw/zinc/20/75/59/201207559.db2.gz SVQVRQVJAUVRCJ-ZDUSSCGKSA-N -1 0 343.383 2.799 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C)cc2[n-]c1=S ZINC000264304875 201210318 /nfs/dbraw/zinc/21/03/18/201210318.db2.gz WYLQRGIZHXHRCN-SMDDNHRTSA-N -1 0 343.452 2.790 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](C)C3)cc2[n-]c1=S ZINC000267631076 201222386 /nfs/dbraw/zinc/22/23/86/201222386.db2.gz JOSRVZUYVRPSQL-VXGBXAGGSA-N -1 0 343.452 2.599 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2[n-]c1=S ZINC000264304869 201209868 /nfs/dbraw/zinc/20/98/68/201209868.db2.gz WYLQRGIZHXHRCN-FZMZJTMJSA-N -1 0 343.452 2.790 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000274536405 201269871 /nfs/dbraw/zinc/26/98/71/201269871.db2.gz SDTIILICBNSYSN-UHFFFAOYSA-N -1 0 347.820 2.681 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000275375882 201279773 /nfs/dbraw/zinc/27/97/73/201279773.db2.gz ZGDQYMLIZVYAGT-HNNXBMFYSA-N -1 0 325.430 2.821 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000191493008 239143358 /nfs/dbraw/zinc/14/33/58/239143358.db2.gz MLTCMVJPGAZQMN-UHFFFAOYSA-N -1 0 346.452 2.943 20 30 EFEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(CC#N)cc3)n2)cc1 ZINC000177017402 239353410 /nfs/dbraw/zinc/35/34/10/239353410.db2.gz RRCGUFZIKHLOSA-UHFFFAOYSA-N -1 0 348.362 2.905 20 30 EFEDRM Cc1occc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393269 202621957 /nfs/dbraw/zinc/62/19/57/202621957.db2.gz XSPIBKRJEQQGQX-CYBMUJFWSA-N -1 0 334.339 2.589 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1[O-] ZINC000190594399 239933117 /nfs/dbraw/zinc/93/31/17/239933117.db2.gz IWDBVMFHBNFCMQ-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM C=CCN(CCOC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000191975605 240015876 /nfs/dbraw/zinc/01/58/76/240015876.db2.gz OTIUKHLYCNJMAA-UHFFFAOYSA-N -1 0 343.427 2.976 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192730393 240062376 /nfs/dbraw/zinc/06/23/76/240062376.db2.gz LQESFYUZCKGMSM-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000194604369 240166260 /nfs/dbraw/zinc/16/62/60/240166260.db2.gz OUNXJSLZSWFXPV-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM N#CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCC1 ZINC000237992776 240248016 /nfs/dbraw/zinc/24/80/16/240248016.db2.gz ZNQUFJFRSZARIS-UHFFFAOYSA-N -1 0 330.384 2.630 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237270577 240240869 /nfs/dbraw/zinc/24/08/69/240240869.db2.gz SLBCBWXBURFVDU-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CC(=O)[O-])[C@H](C)CC)c(OC)c1 ZINC000262785072 240369603 /nfs/dbraw/zinc/36/96/03/240369603.db2.gz PZUWFFCPUMZUAS-CYBMUJFWSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262065189 240343247 /nfs/dbraw/zinc/34/32/47/240343247.db2.gz HTHJKYHVTZJBCS-AWEZNQCLSA-N -1 0 325.792 2.955 20 30 EFEDRM N#CC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCOCC1 ZINC000262382061 240348442 /nfs/dbraw/zinc/34/84/42/240348442.db2.gz IQDLDSVJAOPJML-UHFFFAOYSA-N -1 0 348.424 2.653 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(C)c(Br)c1)C(=O)[O-] ZINC000262875971 240372640 /nfs/dbraw/zinc/37/26/40/240372640.db2.gz KDIDWMJYXDRCQW-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000262941651 240374003 /nfs/dbraw/zinc/37/40/03/240374003.db2.gz HTUCMKKLAZRRAU-MRXNPFEDSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262915387 240374230 /nfs/dbraw/zinc/37/42/30/240374230.db2.gz FSQMEXGDSDCNID-CABCVRRESA-N -1 0 339.819 2.852 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(CC=C)c(OC)c(OC)c1)C(=O)[O-] ZINC000263003641 240374281 /nfs/dbraw/zinc/37/42/81/240374281.db2.gz WMLYKDGTXYTIOA-AWEZNQCLSA-N -1 0 333.384 2.582 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000262964531 240374401 /nfs/dbraw/zinc/37/44/01/240374401.db2.gz SAQQGSGWMLCHJI-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC000262970815 240375484 /nfs/dbraw/zinc/37/54/84/240375484.db2.gz JXEZOHZLPMKLIG-WMLDXEAASA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Cl)ccc1OCCOC)C(=O)[O-] ZINC000262974932 240375497 /nfs/dbraw/zinc/37/54/97/240375497.db2.gz TTYKFPAKPMLZNX-ZDUSSCGKSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C)C(=O)[O-] ZINC000262910941 240375560 /nfs/dbraw/zinc/37/55/60/240375560.db2.gz NDZNMLNCVSOUPR-HNNXBMFYSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1c(C)nn(CC(C)C)c1C)C(=O)[O-] ZINC000263040655 240377624 /nfs/dbraw/zinc/37/76/24/240377624.db2.gz ZOXRMHSGCBJXHP-INIZCTEOSA-N -1 0 335.448 2.624 20 30 EFEDRM C=CCOC[C@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263090092 240377808 /nfs/dbraw/zinc/37/78/08/240377808.db2.gz SRIWRQJDVUPNEJ-RTRPANQVSA-N -1 0 331.412 2.985 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC000263040701 240378161 /nfs/dbraw/zinc/37/81/61/240378161.db2.gz PFCATXNHWOPKPL-INIZCTEOSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000263031537 240378281 /nfs/dbraw/zinc/37/82/81/240378281.db2.gz OPUFXGAJWOCXPL-LLVKDONJSA-N -1 0 335.381 2.702 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C2CC2)nc2onc(C)c21)C(=O)[O-] ZINC000263026424 240378351 /nfs/dbraw/zinc/37/83/51/240378351.db2.gz YMPFWEANRQMVCD-LBPRGKRZSA-N -1 0 329.356 2.558 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263115881 240379342 /nfs/dbraw/zinc/37/93/42/240379342.db2.gz BZQRWGJGFSRMDN-ZIAGYGMSSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000263170434 240380546 /nfs/dbraw/zinc/38/05/46/240380546.db2.gz FWSJXBKWMGFYCE-LJQANCHMSA-N -1 0 347.411 2.516 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263355678 240382906 /nfs/dbraw/zinc/38/29/06/240382906.db2.gz QTGHTUGLQMRAPL-HIFRSBDPSA-N -1 0 332.400 2.504 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263464955 240385472 /nfs/dbraw/zinc/38/54/72/240385472.db2.gz FWMLGVJGTAICSU-RYUDHWBXSA-N -1 0 333.413 2.877 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)nn1CCC#N ZINC000271070454 240623951 /nfs/dbraw/zinc/62/39/51/240623951.db2.gz NYICFZBMMGXODO-UHFFFAOYSA-N -1 0 332.429 2.831 20 30 EFEDRM C#CCO[N-]C(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC000296264864 241081417 /nfs/dbraw/zinc/08/14/17/241081417.db2.gz YAXRKARPVGOKOK-CYBMUJFWSA-N -1 0 327.409 2.988 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000295483711 241054589 /nfs/dbraw/zinc/05/45/89/241054589.db2.gz JKPOIAOEIWJIRT-QGZVFWFLSA-N -1 0 348.424 2.598 20 30 EFEDRM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000328776621 241241773 /nfs/dbraw/zinc/24/17/73/241241773.db2.gz LDNJROUGQQSDND-LURJTMIESA-N -1 0 328.825 2.788 20 30 EFEDRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cccn2c([O-])nnc12 ZINC000329124053 241306925 /nfs/dbraw/zinc/30/69/25/241306925.db2.gz XLJGAVVYQLIDGA-DGCLKSJQSA-N -1 0 332.404 2.581 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CC(C)(C)OC2(C)C)s[n-]1 ZINC000329481298 241378584 /nfs/dbraw/zinc/37/85/84/241378584.db2.gz RCBZHCSLYWEIQX-VIFPVBQESA-N -1 0 326.466 2.930 20 30 EFEDRM O=C(N=c1[n-]nc(C(F)(F)F)s1)NC[C@H]1CCCCS1 ZINC000329556363 241395843 /nfs/dbraw/zinc/39/58/43/241395843.db2.gz KUOSWXJEUKLRTK-ZCFIWIBFSA-N -1 0 326.369 2.590 20 30 EFEDRM O=C(N=c1cn[n-]s1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000330254898 241514363 /nfs/dbraw/zinc/51/43/63/241514363.db2.gz JPOGFQJULWGDDW-UHFFFAOYSA-N -1 0 340.792 2.879 20 30 EFEDRM C=CCNC(=O)C(C)=S([O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000349677247 241874552 /nfs/dbraw/zinc/87/45/52/241874552.db2.gz FWSHIOVHXQDTRB-ZQJOYCHOSA-N -1 0 338.429 2.748 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000352191694 241922553 /nfs/dbraw/zinc/92/25/53/241922553.db2.gz HTWSHZCFIKTOAX-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354476577 242000271 /nfs/dbraw/zinc/00/02/71/242000271.db2.gz ZHOVLNSLXBUYMW-OAHLLOKOSA-N -1 0 347.378 2.941 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000356735947 242077618 /nfs/dbraw/zinc/07/76/18/242077618.db2.gz FSYPYOUIEZCKKA-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM C=C(C)COCC[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000354676179 242008867 /nfs/dbraw/zinc/00/88/67/242008867.db2.gz NYSAZASYNXWPKN-UHFFFAOYSA-N -1 0 330.222 2.846 20 30 EFEDRM C=CCOCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000354761001 242012136 /nfs/dbraw/zinc/01/21/36/242012136.db2.gz KOSWHVAQKFPELP-UHFFFAOYSA-N -1 0 346.408 2.629 20 30 EFEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000355045203 242018553 /nfs/dbraw/zinc/01/85/53/242018553.db2.gz OKFNNDRYFNWWED-UHFFFAOYSA-N -1 0 335.360 2.704 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(F)c1 ZINC000357782631 242105413 /nfs/dbraw/zinc/10/54/13/242105413.db2.gz VXHIQTSXRDOBCU-LBPRGKRZSA-N -1 0 337.310 2.979 20 30 EFEDRM C=CCSCCNC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000357300968 242092084 /nfs/dbraw/zinc/09/20/84/242092084.db2.gz HHRUBVQKUQEXPR-UHFFFAOYSA-N -1 0 335.404 2.674 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000357334477 242095788 /nfs/dbraw/zinc/09/57/88/242095788.db2.gz YXMOEFYFLLFZTB-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cn12 ZINC000362129934 242243211 /nfs/dbraw/zinc/24/32/11/242243211.db2.gz OXSQOUCKOGJTHM-GFCCVEGCSA-N -1 0 345.284 2.942 20 30 EFEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362116625 242243699 /nfs/dbraw/zinc/24/36/99/242243699.db2.gz HOFDKJMCMMANQU-LLVKDONJSA-N -1 0 345.284 2.872 20 30 EFEDRM N#CC(=C([O-])c1cnn2ccncc12)c1cc(C(F)(F)F)ccn1 ZINC000362181769 242244831 /nfs/dbraw/zinc/24/48/31/242244831.db2.gz HIQLPBQNAUUQDF-SNVBAGLBSA-N -1 0 331.257 2.633 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)o1 ZINC000362173945 242246494 /nfs/dbraw/zinc/24/64/94/242246494.db2.gz ZQWJPUMWGKTFCX-SECBINFHSA-N -1 0 338.241 2.970 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc(OC)c1OC ZINC000378480561 242533346 /nfs/dbraw/zinc/53/33/46/242533346.db2.gz ZLDYECZDZJTFJB-UHFFFAOYSA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000412404258 243303743 /nfs/dbraw/zinc/30/37/43/243303743.db2.gz SADLNGLNPINJLD-SECBINFHSA-N -1 0 348.624 2.865 20 30 EFEDRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282143 202986406 /nfs/dbraw/zinc/98/64/06/202986406.db2.gz KVNBDFCMTPDCBH-CMPLNLGQSA-N -1 0 347.820 2.569 20 30 EFEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)CC#N ZINC000414350908 244101473 /nfs/dbraw/zinc/10/14/73/244101473.db2.gz MEBCHIQECASNCA-UHFFFAOYSA-N -1 0 338.429 2.726 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c1C(F)F ZINC000414379389 244123081 /nfs/dbraw/zinc/12/30/81/244123081.db2.gz CWNQKSFCXNLLJD-UHFFFAOYSA-N -1 0 340.355 2.647 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H](Nc3cccc(C(=O)[O-])n3)C2)c(F)c1 ZINC000416407478 244674275 /nfs/dbraw/zinc/67/42/75/244674275.db2.gz KLMVSNJRADPHQN-CYBMUJFWSA-N -1 0 340.358 2.871 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1nn(-c2ccc(Cl)cc2)cc1C ZINC000416955388 244929676 /nfs/dbraw/zinc/92/96/76/244929676.db2.gz JCMYLNGPXMKTGG-CYBMUJFWSA-N -1 0 338.820 2.878 20 30 EFEDRM C[C@H](O[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000421803628 246122442 /nfs/dbraw/zinc/12/24/42/246122442.db2.gz ILZJTDPYZHRVER-QWRGUYRKSA-N -1 0 334.372 2.552 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000421808586 246124833 /nfs/dbraw/zinc/12/48/33/246124833.db2.gz SCRVVFDZKATHBA-IJLUTSLNSA-N -1 0 336.413 2.755 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000424472759 246771087 /nfs/dbraw/zinc/77/10/87/246771087.db2.gz PNXUXWNWAIJSSJ-UHFFFAOYSA-N -1 0 347.415 2.615 20 30 EFEDRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427337629 247339623 /nfs/dbraw/zinc/33/96/23/247339623.db2.gz VLOIPSJVOJZOPB-SNVBAGLBSA-N -1 0 334.376 2.666 20 30 EFEDRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c21 ZINC000427351058 247340193 /nfs/dbraw/zinc/34/01/93/247340193.db2.gz BQQGPELERGNKOA-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000427118388 247318593 /nfs/dbraw/zinc/31/85/93/247318593.db2.gz WVVLDNOOKOEJSG-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1F ZINC000427765520 247390785 /nfs/dbraw/zinc/39/07/85/247390785.db2.gz WNCMNTNXQZIWJB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427774406 247392792 /nfs/dbraw/zinc/39/27/92/247392792.db2.gz QOVQAVGVNSEDGJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C#N ZINC000431696761 247930044 /nfs/dbraw/zinc/93/00/44/247930044.db2.gz ZZZOLMVIBXXEIX-QMMMGPOBSA-N -1 0 339.182 2.725 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000431801375 247940120 /nfs/dbraw/zinc/94/01/20/247940120.db2.gz ZORRAXCKDQZIEH-UHFFFAOYSA-N -1 0 338.363 2.543 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000437655893 249697255 /nfs/dbraw/zinc/69/72/55/249697255.db2.gz OOLTYENWKZUTHW-UHFFFAOYSA-N -1 0 346.286 2.893 20 30 EFEDRM COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])ccc1C#N ZINC000442336494 250077292 /nfs/dbraw/zinc/07/72/92/250077292.db2.gz PZBNDBSJWBKVRJ-HWKANZROSA-N -1 0 325.280 2.739 20 30 EFEDRM N#CC1([N-]S(=O)(=O)c2ccc(Br)o2)CCCCC1 ZINC000442615546 250089697 /nfs/dbraw/zinc/08/96/97/250089697.db2.gz DCRPOUCVLZKARW-UHFFFAOYSA-N -1 0 333.207 2.547 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1[O-] ZINC000442620287 250090882 /nfs/dbraw/zinc/09/08/82/250090882.db2.gz ITDKCDULCZFZCT-UHFFFAOYSA-N -1 0 325.349 2.560 20 30 EFEDRM COc1cc(OC)c(OC)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442674285 250100564 /nfs/dbraw/zinc/10/05/64/250100564.db2.gz XRUQPPCFNPQELN-UHFFFAOYSA-N -1 0 328.324 2.542 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nnn1C ZINC000442672536 250101480 /nfs/dbraw/zinc/10/14/80/250101480.db2.gz QSQBNVCSCPJWCJ-VIFPVBQESA-N -1 0 331.788 2.877 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nccs3)cc2[n-]c1=S ZINC000009882785 211130705 /nfs/dbraw/zinc/13/07/05/211130705.db2.gz XYDAXDWVAKRVSO-UHFFFAOYSA-N -1 0 344.421 2.954 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1[O-] ZINC000442645892 250094574 /nfs/dbraw/zinc/09/45/74/250094574.db2.gz GTBMXENRPRBAPN-UHFFFAOYSA-N -1 0 343.726 2.500 20 30 EFEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000443139605 250163718 /nfs/dbraw/zinc/16/37/18/250163718.db2.gz YVOCBVWXRZMYML-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000443365552 250189990 /nfs/dbraw/zinc/18/99/90/250189990.db2.gz DLVHERCOAAHBLK-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1C#N ZINC000444052159 250253084 /nfs/dbraw/zinc/25/30/84/250253084.db2.gz QVPWHTVCDQETGT-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1C ZINC000177300562 207318065 /nfs/dbraw/zinc/31/80/65/207318065.db2.gz FRZJMQGBLSGJTM-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000177300268 207316656 /nfs/dbraw/zinc/31/66/56/207316656.db2.gz QJRUKQLAZDTURL-UHFFFAOYSA-N -1 0 344.440 2.799 20 30 EFEDRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000108639966 141359933 /nfs/dbraw/zinc/35/99/33/141359933.db2.gz VRUAHUVJMPCOOD-UHFFFAOYSA-N -1 0 332.429 2.681 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1C#N ZINC000324546025 141498741 /nfs/dbraw/zinc/49/87/41/141498741.db2.gz XGAREOZOGSQWDY-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)cc1C ZINC000341771514 141864278 /nfs/dbraw/zinc/86/42/78/141864278.db2.gz IGJXKRNWGASLJI-QHCPKHFHSA-N -1 0 326.421 2.599 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1Cl ZINC000337740187 143799000 /nfs/dbraw/zinc/79/90/00/143799000.db2.gz ATYXOIQHGROZDW-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM N#Cc1c(F)ccc(CN=c2[n-]ncn2-c2ccccc2)c1Cl ZINC000340703733 144920090 /nfs/dbraw/zinc/92/00/90/144920090.db2.gz SIRCKPHZZXVNFQ-UHFFFAOYSA-N -1 0 327.750 2.965 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)o1 ZINC000340767927 144930316 /nfs/dbraw/zinc/93/03/16/144930316.db2.gz AMYGXABLIILGET-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c2n[nH]cc21 ZINC000341353416 145038460 /nfs/dbraw/zinc/03/84/60/145038460.db2.gz BZUJNMFNEUVPOM-UHFFFAOYSA-N -1 0 348.334 2.822 20 30 EFEDRM CC(C)CC1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000342601844 145157292 /nfs/dbraw/zinc/15/72/92/145157292.db2.gz LFDCXBXLJCFEKU-UHFFFAOYSA-N -1 0 328.384 2.941 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000342680517 145171930 /nfs/dbraw/zinc/17/19/30/145171930.db2.gz HSTGIQDGTXNTGB-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1nc(NC(=O)c2coc(-c3ccccc3Cl)n2)[n-]c1C#N ZINC000345260946 145498005 /nfs/dbraw/zinc/49/80/05/145498005.db2.gz FMXXQKCKUMNQEF-UHFFFAOYSA-N -1 0 338.714 2.714 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CCc2ccco2)cc1C#N ZINC000349125092 146056448 /nfs/dbraw/zinc/05/64/48/146056448.db2.gz OEXYWWORIGTFGP-SNVBAGLBSA-N -1 0 331.397 2.725 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000350731226 146084754 /nfs/dbraw/zinc/08/47/54/146084754.db2.gz YSGVEDOJQTVGSK-UHFFFAOYSA-N -1 0 346.746 2.982 20 30 EFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccsc3)n2)c(F)c1 ZINC000350866711 146097311 /nfs/dbraw/zinc/09/73/11/146097311.db2.gz FITNIMCDUAOTJA-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000350870585 146098104 /nfs/dbraw/zinc/09/81/04/146098104.db2.gz OCOBMRLPQXCEEA-UHFFFAOYSA-N -1 0 341.314 2.818 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)s1 ZINC000351216341 146115747 /nfs/dbraw/zinc/11/57/47/146115747.db2.gz BLUXYIJOHXNNPI-UHFFFAOYSA-N -1 0 344.421 2.926 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1C#N ZINC000351700307 146181521 /nfs/dbraw/zinc/18/15/21/146181521.db2.gz QNVWXFWQGIDLRW-UHFFFAOYSA-N -1 0 334.332 2.584 20 30 EFEDRM COc1ccc(C(=O)COc2cc(F)cc(C#N)c2)c2occ([O-])c21 ZINC000351760935 146197719 /nfs/dbraw/zinc/19/77/19/146197719.db2.gz AZMZLOMCVKISLU-UHFFFAOYSA-N -1 0 341.294 2.543 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355652709 147024213 /nfs/dbraw/zinc/02/42/13/147024213.db2.gz PUOACSOSWVCKST-UHFFFAOYSA-N -1 0 327.296 2.823 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(Cl)c1 ZINC000355809869 147071342 /nfs/dbraw/zinc/07/13/42/147071342.db2.gz KKRCDLAIGZSCBP-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM N#Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)ccn1 ZINC000356006730 147121091 /nfs/dbraw/zinc/12/10/91/147121091.db2.gz VHBANGMSNFASEB-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)o2)onc1C(F)(F)F ZINC000358945322 147946084 /nfs/dbraw/zinc/94/60/84/147946084.db2.gz AMJBLUFUTJVAJR-UHFFFAOYSA-N -1 0 335.263 2.521 20 30 EFEDRM Cc1cc(=NC(=O)c2ccc(COc3ccccc3C#N)o2)[n-]nc1C ZINC000359491148 148099892 /nfs/dbraw/zinc/09/98/92/148099892.db2.gz GPMKOAKJXSLXRI-UHFFFAOYSA-N -1 0 348.362 2.811 20 30 EFEDRM Cc1nn(C)c2cc(NS(=O)(=O)c3cc(C#N)ccc3C)ccc12 ZINC000359558499 148122275 /nfs/dbraw/zinc/12/22/75/148122275.db2.gz GAOVKYMIFCKXDL-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1csc(-c2ccccc2)n1 ZINC000359717829 148170299 /nfs/dbraw/zinc/17/02/99/148170299.db2.gz OUQYUXMAVZKOIK-UHFFFAOYSA-N -1 0 335.392 2.956 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000359721798 148172129 /nfs/dbraw/zinc/17/21/29/148172129.db2.gz YVSORGMRXGMZCZ-NEPJUHHUSA-N -1 0 326.787 2.976 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)ccc1C#N ZINC000373884238 151243331 /nfs/dbraw/zinc/24/33/31/151243331.db2.gz XDKMLQVQDHWUFU-UHFFFAOYSA-N -1 0 342.376 2.633 20 30 EFEDRM CC1(C(=O)[O-])CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000378478603 152095882 /nfs/dbraw/zinc/09/58/82/152095882.db2.gz UABJGNQIPIVKFI-UHFFFAOYSA-N -1 0 332.425 2.505 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000408482456 152198225 /nfs/dbraw/zinc/19/82/25/152198225.db2.gz HYHKKUMSZVQWMX-WWGRRREGSA-N -1 0 334.441 2.577 20 30 EFEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC(C)(C)C1 ZINC000408486923 152199067 /nfs/dbraw/zinc/19/90/67/152199067.db2.gz KOLFSWBTLWOTDT-STQMWFEESA-N -1 0 349.456 2.611 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc3c2OCO3)c1 ZINC000096179244 262499833 /nfs/dbraw/zinc/49/98/33/262499833.db2.gz YELRKPFHSAKWAC-FPLPWBNLSA-N -1 0 326.304 2.775 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)[nH]1 ZINC000432622674 269959009 /nfs/dbraw/zinc/95/90/09/269959009.db2.gz ZAYOSZPENQBBJI-CQSZACIVSA-N -1 0 349.419 2.880 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000491274635 270031753 /nfs/dbraw/zinc/03/17/53/270031753.db2.gz ABUGQOJTDJAHKP-AWEZNQCLSA-N -1 0 341.367 2.624 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)C2(Cc3ccc(F)cc3)CC2)[n-]1 ZINC000527075942 270034653 /nfs/dbraw/zinc/03/46/53/270034653.db2.gz OZBGSKUBJTWPBD-UHFFFAOYSA-N -1 0 326.375 2.858 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000530019435 270035500 /nfs/dbraw/zinc/03/55/00/270035500.db2.gz XIXGACBKDCNHNA-JTQLQIEISA-N -1 0 337.370 2.855 20 30 EFEDRM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188425860 265133970 /nfs/dbraw/zinc/13/39/70/265133970.db2.gz FSYAIEBUKWOMCW-UHFFFAOYSA-N -1 0 349.350 2.745 20 30 EFEDRM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000191888098 265281243 /nfs/dbraw/zinc/28/12/43/265281243.db2.gz SZLWVGBRGFNSPA-UHFFFAOYSA-N -1 0 346.408 2.557 20 30 EFEDRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000281351413 265834558 /nfs/dbraw/zinc/83/45/58/265834558.db2.gz KPGXLYWVBXUJKV-UHFFFAOYSA-N -1 0 330.413 2.599 20 30 EFEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cncc(C#N)c2)s1 ZINC000291011084 266005803 /nfs/dbraw/zinc/00/58/03/266005803.db2.gz WHFOIJKJFKKNSL-UHFFFAOYSA-N -1 0 337.430 2.509 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C#N)cc1F ZINC000292147807 267110587 /nfs/dbraw/zinc/11/05/87/267110587.db2.gz NDNICLPELCXLKS-QMTHXVAHSA-N -1 0 343.324 2.729 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000277117560 267117286 /nfs/dbraw/zinc/11/72/86/267117286.db2.gz YAUUCYBUXSXCQL-UHFFFAOYSA-N -1 0 346.412 2.748 20 30 EFEDRM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000497203532 267120516 /nfs/dbraw/zinc/12/05/16/267120516.db2.gz RVWNTASZRYLDIK-UHFFFAOYSA-N -1 0 349.368 2.545 20 30 EFEDRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000277737044 267247338 /nfs/dbraw/zinc/24/73/38/267247338.db2.gz PFDVFAVIQYKGGA-GXFFZTMASA-N -1 0 334.363 2.955 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C1CC1 ZINC000530924478 267260916 /nfs/dbraw/zinc/26/09/16/267260916.db2.gz LCNGURQUZWANLE-UHFFFAOYSA-N -1 0 334.376 2.592 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)ccc1C#N ZINC000282466353 267360154 /nfs/dbraw/zinc/36/01/54/267360154.db2.gz QUOYRENMQFDEBZ-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)ccc1C#N ZINC000331331163 267360373 /nfs/dbraw/zinc/36/03/73/267360373.db2.gz TWOWDVDJPFBIAR-UHFFFAOYSA-N -1 0 346.456 2.990 20 30 EFEDRM Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000195496553 267371112 /nfs/dbraw/zinc/37/11/12/267371112.db2.gz ZBHWQNLJXASZJH-MDZDMXLPSA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)ccc1C#N ZINC000519582888 268019180 /nfs/dbraw/zinc/01/91/80/268019180.db2.gz WBYZORMHXNJHNI-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1[O-] ZINC000189033616 268046746 /nfs/dbraw/zinc/04/67/46/268046746.db2.gz ZOWMDDPWWOQIBD-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000491122350 268060923 /nfs/dbraw/zinc/06/09/23/268060923.db2.gz XGURCOLIORDJPH-KHPPLWFESA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000451068539 268071208 /nfs/dbraw/zinc/07/12/08/268071208.db2.gz IQYZRPQORJGYBW-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)nc1 ZINC000174002359 268161909 /nfs/dbraw/zinc/16/19/09/268161909.db2.gz HHEHXFJEGYAGHZ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000330681020 268203267 /nfs/dbraw/zinc/20/32/67/268203267.db2.gz ZHLHOVYJBSELMJ-KOLCDFICSA-N -1 0 336.335 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1F ZINC000427211185 268260377 /nfs/dbraw/zinc/26/03/77/268260377.db2.gz FXHKURGJGYJGEJ-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000277120919 273147291 /nfs/dbraw/zinc/14/72/91/273147291.db2.gz YMRLMSIALQGFST-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM C=CC1CCN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CC1 ZINC000110968827 277821509 /nfs/dbraw/zinc/82/15/09/277821509.db2.gz LUPYABBMWPNXBY-UHFFFAOYSA-N -1 0 342.848 2.750 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000422658447 277892071 /nfs/dbraw/zinc/89/20/71/277892071.db2.gz CYJBFNMUXNNHHW-HNNXBMFYSA-N -1 0 344.411 2.553 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000123221199 292977177 /nfs/dbraw/zinc/97/71/77/292977177.db2.gz LWUOEODPSGWJIS-UHFFFAOYSA-N -1 0 336.392 2.591 20 30 EFEDRM CCO[C@H](CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)C ZINC000125824833 293017409 /nfs/dbraw/zinc/01/74/09/293017409.db2.gz YFZWRYRYFPGGPC-CQSZACIVSA-N -1 0 346.399 2.566 20 30 EFEDRM C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000134151812 293279046 /nfs/dbraw/zinc/27/90/46/293279046.db2.gz ZGYGLWHVULSDAR-LBPRGKRZSA-N -1 0 346.383 2.637 20 30 EFEDRM C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000134152005 293279296 /nfs/dbraw/zinc/27/92/96/293279296.db2.gz ZGYGLWHVULSDAR-GFCCVEGCSA-N -1 0 346.383 2.637 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000152605345 293341683 /nfs/dbraw/zinc/34/16/83/293341683.db2.gz MWOVWJAREPBUPJ-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000263212018 297343964 /nfs/dbraw/zinc/34/39/64/297343964.db2.gz NQGQFMOSBWBICL-PWSUYJOCSA-N -1 0 340.339 2.562 20 30 EFEDRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337132054 302482491 /nfs/dbraw/zinc/48/24/91/302482491.db2.gz JZRYKFFJIVGXNL-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM N#CC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCCCC1 ZINC000176268625 303146852 /nfs/dbraw/zinc/14/68/52/303146852.db2.gz CKJYZOBACAQGNS-UHFFFAOYSA-N -1 0 328.347 2.673 20 30 EFEDRM N#C[C@H]1N(C(=O)c2cc(F)c([O-])c(F)c2)CCC[C@@]12CCCCO2 ZINC000366181045 303171870 /nfs/dbraw/zinc/17/18/70/303171870.db2.gz HXUZAPYFSMYBRS-PBHICJAKSA-N -1 0 336.338 2.738 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)cc1 ZINC000352904912 303199710 /nfs/dbraw/zinc/19/97/10/303199710.db2.gz ZTQHJTYJHSWQRM-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000177869790 310776560 /nfs/dbraw/zinc/77/65/60/310776560.db2.gz WRIDYZCDOJHXHL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000324411491 311241488 /nfs/dbraw/zinc/24/14/88/311241488.db2.gz QPDWRSDPVGUCEF-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1 ZINC000324302957 311241621 /nfs/dbraw/zinc/24/16/21/311241621.db2.gz PSWGVXBZMVTPAM-UHFFFAOYSA-N -1 0 344.392 2.537 20 30 EFEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C ZINC000537195897 317664482 /nfs/dbraw/zinc/66/44/82/317664482.db2.gz DIMIAWJDJGWZBM-SNVBAGLBSA-N -1 0 336.392 2.974 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000538713351 317704198 /nfs/dbraw/zinc/70/41/98/317704198.db2.gz CPCQELCIOULZSH-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM N#Cc1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)ccc1Cl ZINC000541781070 317789844 /nfs/dbraw/zinc/78/98/44/317789844.db2.gz ZQFAJTYUDAWYDK-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000545917668 317939807 /nfs/dbraw/zinc/93/98/07/317939807.db2.gz RMYGLORARBSFNO-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000547414156 318005278 /nfs/dbraw/zinc/00/52/78/318005278.db2.gz KEBQQCRJNIBDOG-UHFFFAOYSA-N -1 0 344.392 2.693 20 30 EFEDRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000547956106 318056139 /nfs/dbraw/zinc/05/61/39/318056139.db2.gz VBELLIJJITUWKO-SNVBAGLBSA-N -1 0 334.376 2.666 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548266361 318087418 /nfs/dbraw/zinc/08/74/18/318087418.db2.gz WAURGHNDHXBZQT-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N=c1[n-]nc2n1CCCC2 ZINC000551944004 318228564 /nfs/dbraw/zinc/22/85/64/318228564.db2.gz QMMMFOYMIDUCDC-UHFFFAOYSA-N -1 0 337.408 2.683 20 30 EFEDRM N#Cc1nc(NC(=O)Cc2ccccc2OC2CCCC2)[n-]c1C#N ZINC000556808560 318410462 /nfs/dbraw/zinc/41/04/62/318410462.db2.gz VFJYEQVQDSPWCD-UHFFFAOYSA-N -1 0 335.367 2.656 20 30 EFEDRM COCCOCc1cccc(-c2cc(OCC(=O)[O-])ccc2C#N)c1 ZINC000565239460 318950472 /nfs/dbraw/zinc/95/04/72/318950472.db2.gz XEBODXXJPXQUDD-UHFFFAOYSA-N -1 0 341.363 2.852 20 30 EFEDRM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000566229297 319049565 /nfs/dbraw/zinc/04/95/65/319049565.db2.gz OLQQAOYNJKSOOD-UHFFFAOYSA-N -1 0 348.380 2.907 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000567558920 319181726 /nfs/dbraw/zinc/18/17/26/319181726.db2.gz UDIZGKSHJBOVIY-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM COc1cccc([C@@H]2C[C@H]2C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1 ZINC000568602231 319299515 /nfs/dbraw/zinc/29/95/15/319299515.db2.gz ZGJCHFOYOMLPLK-JKSUJKDBSA-N -1 0 338.411 2.682 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000570740179 319508232 /nfs/dbraw/zinc/50/82/32/319508232.db2.gz JFNBFJNAHRDNKB-ZRAONMGGSA-N -1 0 348.443 2.986 20 30 EFEDRM CC(C)c1n[n-]c(=N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000576345458 320007395 /nfs/dbraw/zinc/00/73/95/320007395.db2.gz RHYSKQSNYMFKKQ-ZDUSSCGKSA-N -1 0 329.379 2.707 20 30 EFEDRM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)o2)c1-c1ccccc1 ZINC000577557030 320120996 /nfs/dbraw/zinc/12/09/96/320120996.db2.gz SCLMECDUDMPKIZ-UHFFFAOYSA-N -1 0 328.353 2.651 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C#N ZINC000182742862 323299262 /nfs/dbraw/zinc/29/92/62/323299262.db2.gz LLZCXDQRDKRNIN-UHFFFAOYSA-N -1 0 345.380 2.759 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ncc1C#N ZINC000582975933 324711555 /nfs/dbraw/zinc/71/15/55/324711555.db2.gz RRVWTLLUBBSYFM-UHFFFAOYSA-N -1 0 345.424 2.580 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1noc(-c2cccs2)n1 ZINC000540912731 468373477 /nfs/dbraw/zinc/37/34/77/468373477.db2.gz BDZQWDVUICQASB-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3cccc(C#N)c3)cc2=O)cc1 ZINC000081484947 473206715 /nfs/dbraw/zinc/20/67/15/473206715.db2.gz NLCRNDPLYBKRDR-AWEZNQCLSA-N -1 0 346.390 2.837 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000042268190 472126511 /nfs/dbraw/zinc/12/65/11/472126511.db2.gz XWUYKWYXHBFMRH-UHFFFAOYSA-N -1 0 325.386 2.683 20 30 EFEDRM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000161107775 473207551 /nfs/dbraw/zinc/20/75/51/473207551.db2.gz GHLGFARZBJBSTN-UHFFFAOYSA-N -1 0 336.438 2.855 20 30 EFEDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)n[nH]1 ZINC000184867715 473259105 /nfs/dbraw/zinc/25/91/05/473259105.db2.gz YPYYTKYBVCEGRR-LLVKDONJSA-N -1 0 348.428 2.994 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cc1C#N ZINC000081815949 473259500 /nfs/dbraw/zinc/25/95/00/473259500.db2.gz ZCSNFXFJVJQITH-CYBMUJFWSA-N -1 0 349.456 2.658 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000184931411 473276498 /nfs/dbraw/zinc/27/64/98/473276498.db2.gz IHVINYDPIPLXHW-UHFFFAOYSA-N -1 0 349.408 2.972 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)[C@H]3C)cc2[n-]c1=S ZINC000177024678 473288479 /nfs/dbraw/zinc/28/84/79/473288479.db2.gz XAIKRKSANNLTFS-NWDGAFQWSA-N -1 0 343.452 2.742 20 30 EFEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)nc3)nc2c(C)c1 ZINC000171146728 473303378 /nfs/dbraw/zinc/30/33/78/473303378.db2.gz JZGIHEWMLRKLFT-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C#CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000162205595 473315062 /nfs/dbraw/zinc/31/50/62/473315062.db2.gz VTAGQPLJYFHZCP-UHFFFAOYSA-N -1 0 327.359 2.735 20 30 EFEDRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ncc(C#N)s2)c1 ZINC000610725303 469052556 /nfs/dbraw/zinc/05/25/56/469052556.db2.gz TWODQNROGDDWST-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM CC(C)(C)n1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 ZINC000177364357 473364297 /nfs/dbraw/zinc/36/42/97/473364297.db2.gz CAOSMXNUORSVTH-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000083955814 473376746 /nfs/dbraw/zinc/37/67/46/473376746.db2.gz HRZDMBBZBFOEGS-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345811993 475473121 /nfs/dbraw/zinc/47/31/21/475473121.db2.gz YEOFPSWVTYSFOY-UHFFFAOYSA-N -1 0 325.364 2.978 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1F ZINC000435724181 477359335 /nfs/dbraw/zinc/35/93/35/477359335.db2.gz BLISDZGPJKKOOG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000007743746 471635114 /nfs/dbraw/zinc/63/51/14/471635114.db2.gz PDJQHEZABUNWLJ-XVNBXDOJSA-N -1 0 326.304 2.775 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)nc2)n1 ZINC000008428304 471687749 /nfs/dbraw/zinc/68/77/49/471687749.db2.gz XLKXZMZHKGFCSB-JTQLQIEISA-N -1 0 335.772 2.533 20 30 EFEDRM CC(C)Oc1cccc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000067600769 472056757 /nfs/dbraw/zinc/05/67/57/472056757.db2.gz BHQBDKJBMWEPNL-BQYQJAHWSA-N -1 0 349.412 2.566 20 30 EFEDRM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2ccccc2o1 ZINC000041542113 472068992 /nfs/dbraw/zinc/06/89/92/472068992.db2.gz ZTKYUOSUFBJJGS-LLVKDONJSA-N -1 0 333.303 2.649 20 30 EFEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1 ZINC000041561504 472069388 /nfs/dbraw/zinc/06/93/88/472069388.db2.gz DGYANZWFQGKDEX-VIFPVBQESA-N -1 0 333.804 2.749 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 ZINC000067798224 472091232 /nfs/dbraw/zinc/09/12/32/472091232.db2.gz RTKMPNPXMTVKFO-CQSZACIVSA-N -1 0 333.307 2.666 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000054491925 472092388 /nfs/dbraw/zinc/09/23/88/472092388.db2.gz XVQGPIWHFXQKIB-UHFFFAOYSA-N -1 0 330.337 2.959 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(C)nc2C)n1 ZINC000067894737 472106091 /nfs/dbraw/zinc/10/60/91/472106091.db2.gz LVVHGEYVMNSGLH-SECBINFHSA-N -1 0 335.410 2.883 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#N)cc2)n1 ZINC000067895388 472106441 /nfs/dbraw/zinc/10/64/41/472106441.db2.gz JTRJGBWJTALMTR-GFCCVEGCSA-N -1 0 325.349 2.682 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)n1 ZINC000067894058 472106707 /nfs/dbraw/zinc/10/67/07/472106707.db2.gz DGWGOGPZKLQLPV-VIFPVBQESA-N -1 0 332.385 2.656 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2COC)n1 ZINC000067897772 472106996 /nfs/dbraw/zinc/10/69/96/472106996.db2.gz KRQXKURUNXSYOX-ZDUSSCGKSA-N -1 0 344.392 2.956 20 30 EFEDRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026269695 472130961 /nfs/dbraw/zinc/13/09/61/472130961.db2.gz IPDPKCBDNNUDFF-MRVPVSSYSA-N -1 0 331.788 2.926 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1cnn(-c2ccccc2)c1 ZINC000042344699 472131690 /nfs/dbraw/zinc/13/16/90/472131690.db2.gz ZJGLWJHNGOLCCQ-MDZDMXLPSA-N -1 0 333.413 2.972 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000084410052 472177660 /nfs/dbraw/zinc/17/76/60/472177660.db2.gz ASZRMDNQVDHXHN-UHFFFAOYSA-N -1 0 326.400 2.980 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1Cl ZINC000613343997 479970542 /nfs/dbraw/zinc/97/05/42/479970542.db2.gz PABOKKZOHAKHET-UHFFFAOYSA-N -1 0 345.858 2.613 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000084510777 472186958 /nfs/dbraw/zinc/18/69/58/472186958.db2.gz MNKJKSHDBZWBFP-UHFFFAOYSA-N -1 0 347.820 2.792 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccccc2C)cc1C#N ZINC000027607357 472187244 /nfs/dbraw/zinc/18/72/44/472187244.db2.gz FEMUJRZCFRVOHY-UHFFFAOYSA-N -1 0 327.409 2.662 20 30 EFEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000029329456 472270565 /nfs/dbraw/zinc/27/05/65/472270565.db2.gz POWHOICGWQPJFX-UHFFFAOYSA-N -1 0 349.387 2.934 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)s2)o1 ZINC000031287885 472371552 /nfs/dbraw/zinc/37/15/52/472371552.db2.gz JICCVKNSVWMXBP-UHFFFAOYSA-N -1 0 338.352 2.739 20 30 EFEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000089305829 472409625 /nfs/dbraw/zinc/40/96/25/472409625.db2.gz LBTWXIJOISSNSI-UHFFFAOYSA-N -1 0 348.211 2.903 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c([N+](=O)[O-])c1 ZINC000076839171 472412404 /nfs/dbraw/zinc/41/24/04/472412404.db2.gz WYEXKJMZDVSPQI-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000076839190 472412920 /nfs/dbraw/zinc/41/29/20/472412920.db2.gz FIVFIXIHHCVUHS-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097033158 472415418 /nfs/dbraw/zinc/41/54/18/472415418.db2.gz GQCHQTDRBLUEPG-UHFFFAOYSA-N -1 0 329.299 2.992 20 30 EFEDRM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccccc3C#N)cnc21 ZINC000032098008 472415549 /nfs/dbraw/zinc/41/55/49/472415549.db2.gz SSYBFPRIRXCZSW-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM O=C(C=CC1CC1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000076905883 472422305 /nfs/dbraw/zinc/42/23/05/472422305.db2.gz AGYIYGAYXJQRSV-VOTSOKGWSA-N -1 0 325.777 2.599 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000076935786 472426933 /nfs/dbraw/zinc/42/69/33/472426933.db2.gz DQOVPGAWCSZTAP-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2cc3ccccc3[nH]2)cc1C#N ZINC000057557635 472451246 /nfs/dbraw/zinc/45/12/46/472451246.db2.gz ZWFPPSKUPZVOMD-UHFFFAOYSA-N -1 0 338.392 2.792 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2C2CCCC2)cc1C#N ZINC000089493797 472451728 /nfs/dbraw/zinc/45/17/28/472451728.db2.gz ADGKDQVOQKYBCB-AWEZNQCLSA-N -1 0 331.441 2.763 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000117740642 472477669 /nfs/dbraw/zinc/47/76/69/472477669.db2.gz QRMOBWQCNPOPDS-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000117740941 472478348 /nfs/dbraw/zinc/47/83/48/472478348.db2.gz KDSSTTDPZDWWGH-UHFFFAOYSA-N -1 0 332.429 2.796 20 30 EFEDRM CCc1c([O-])nc(SCCCC#N)n(-c2cccc(OC)c2)c1=O ZINC000128952781 472513522 /nfs/dbraw/zinc/51/35/22/472513522.db2.gz UXXVKCHBWJXXFF-UHFFFAOYSA-N -1 0 345.424 2.905 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1 ZINC000058265312 472529173 /nfs/dbraw/zinc/52/91/73/472529173.db2.gz AJIWMKREBRPBNN-UHFFFAOYSA-N -1 0 325.386 2.699 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc(F)c2)cc1 ZINC000101372610 472531955 /nfs/dbraw/zinc/53/19/55/472531955.db2.gz NPMKPHGOLQMLMV-KRWDZBQOSA-N -1 0 340.354 2.782 20 30 EFEDRM C=C(C)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000119185392 472535375 /nfs/dbraw/zinc/53/53/75/472535375.db2.gz HOQNUJAQBHTILS-UHFFFAOYSA-N -1 0 326.162 2.582 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(N2CCOCC2)cc1 ZINC000058370930 472557968 /nfs/dbraw/zinc/55/79/68/472557968.db2.gz IUFDIOCQQZQLOJ-XVNBXDOJSA-N -1 0 335.363 2.658 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000058465105 472572841 /nfs/dbraw/zinc/57/28/41/472572841.db2.gz AAQQPOKHBSJZOP-MMQHEFTJSA-N -1 0 328.368 2.785 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 ZINC000102632010 472586381 /nfs/dbraw/zinc/58/63/81/472586381.db2.gz WNAOCYNSOHSSNN-UHFFFAOYSA-N -1 0 345.380 2.897 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000077704692 472589453 /nfs/dbraw/zinc/58/94/53/472589453.db2.gz WGYIBAGNRGFMPD-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000103085731 472610670 /nfs/dbraw/zinc/61/06/70/472610670.db2.gz AALQEFUTGMVUFX-FZMUQLTDSA-N -1 0 344.363 2.712 20 30 EFEDRM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000155963524 472646882 /nfs/dbraw/zinc/64/68/82/472646882.db2.gz ABKXPTZRBJOOFQ-LLVKDONJSA-N -1 0 331.353 2.506 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c2ccccc12 ZINC000091052309 472687100 /nfs/dbraw/zinc/68/71/00/472687100.db2.gz LPNWAKPUBJRWSA-UHFFFAOYSA-N -1 0 342.380 2.634 20 30 EFEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1Cl ZINC000091052497 472687461 /nfs/dbraw/zinc/68/74/61/472687461.db2.gz FRGKRYFRMKJBDK-UHFFFAOYSA-N -1 0 331.184 2.697 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000091055865 472690341 /nfs/dbraw/zinc/69/03/41/472690341.db2.gz LHLQTTZEMUMBJX-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)nc(C)n1 ZINC000063235518 472760345 /nfs/dbraw/zinc/76/03/45/472760345.db2.gz GINMYASLDCMNCR-OAHLLOKOSA-N -1 0 335.342 2.908 20 30 EFEDRM O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000073087247 472770036 /nfs/dbraw/zinc/77/00/36/472770036.db2.gz RARURXRQRYHYRB-UHFFFAOYSA-N -1 0 328.390 2.701 20 30 EFEDRM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017819 472783089 /nfs/dbraw/zinc/78/30/89/472783089.db2.gz GMYFHEGVEKHACJ-VXGBXAGGSA-N -1 0 337.401 2.714 20 30 EFEDRM C[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000064333135 472844348 /nfs/dbraw/zinc/84/43/48/472844348.db2.gz JUFDCYFZZZIJFT-NSHDSACASA-N -1 0 349.437 2.581 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000064479172 472857896 /nfs/dbraw/zinc/85/78/96/472857896.db2.gz NXACMXYXKFXHDZ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(C)C)cc2)C(=O)O1 ZINC000106586512 472868778 /nfs/dbraw/zinc/86/87/78/472868778.db2.gz IDEJPHZFQFMMTL-YOCVDRLZSA-N -1 0 328.364 2.950 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1OCC ZINC000048493769 472882335 /nfs/dbraw/zinc/88/23/35/472882335.db2.gz YKAHYZANDBHUGR-CMPLNLGQSA-N -1 0 327.402 2.785 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)cc1 ZINC000048503599 472883861 /nfs/dbraw/zinc/88/38/61/472883861.db2.gz GWCIPHMKTLZRHC-RMKNXTFCSA-N -1 0 337.360 2.789 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc(C#N)cc2)s1 ZINC000048527430 472885832 /nfs/dbraw/zinc/88/58/32/472885832.db2.gz HTJBFZFEGGBBCN-UHFFFAOYSA-N -1 0 336.394 2.652 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)s1 ZINC000048529292 472885905 /nfs/dbraw/zinc/88/59/05/472885905.db2.gz AUZWWDVYQIXOKK-UHFFFAOYSA-N -1 0 326.399 2.617 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000121658536 472886695 /nfs/dbraw/zinc/88/66/95/472886695.db2.gz NDCLGMAIGUGLSC-CQSZACIVSA-N -1 0 325.430 2.565 20 30 EFEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2CCC ZINC000048574181 472890143 /nfs/dbraw/zinc/89/01/43/472890143.db2.gz WVXFXTCKHWNRSD-UHFFFAOYSA-N -1 0 339.417 2.575 20 30 EFEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000048581493 472890896 /nfs/dbraw/zinc/89/08/96/472890896.db2.gz ZZKVFUOSOLNWFN-UHFFFAOYSA-N -1 0 335.381 2.535 20 30 EFEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616146 472893725 /nfs/dbraw/zinc/89/37/25/472893725.db2.gz QTPRFBDAAOULJH-UHFFFAOYSA-N -1 0 329.299 2.992 20 30 EFEDRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1Cl ZINC000048647629 472895954 /nfs/dbraw/zinc/89/59/54/472895954.db2.gz DXAAZMAMTLURHT-AATRIKPKSA-N -1 0 339.804 2.741 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)cs1 ZINC000121749211 472906289 /nfs/dbraw/zinc/90/62/89/472906289.db2.gz YOOXOMZQFREWHY-JTQLQIEISA-N -1 0 326.381 2.666 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3cnn(C)c3)n2)n1 ZINC000048789174 472909410 /nfs/dbraw/zinc/90/94/10/472909410.db2.gz LPXDHBRVIITZCU-JTQLQIEISA-N -1 0 329.410 2.799 20 30 EFEDRM C=C(Br)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000049297304 472940935 /nfs/dbraw/zinc/94/09/35/472940935.db2.gz ONOAZPBKVCDGKE-UHFFFAOYSA-N -1 0 340.202 2.636 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000122150130 472981346 /nfs/dbraw/zinc/98/13/46/472981346.db2.gz ZBCIZTZYGPYYGN-JTQLQIEISA-N -1 0 339.376 2.911 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccnc2)C2CC2)cc1C#N ZINC000074351628 472994550 /nfs/dbraw/zinc/99/45/50/472994550.db2.gz ABKHHGDAAHOCFV-UHFFFAOYSA-N -1 0 340.408 2.581 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n(C)n1 ZINC000092866071 473000152 /nfs/dbraw/zinc/00/01/52/473000152.db2.gz HRKTYOBIBNFCKN-UHFFFAOYSA-N -1 0 338.820 2.698 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000122340268 473002888 /nfs/dbraw/zinc/00/28/88/473002888.db2.gz SWJKDSJHEVJSNB-FNORWQNLSA-N -1 0 345.355 2.656 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000080251548 473004034 /nfs/dbraw/zinc/00/40/34/473004034.db2.gz UOTAETRBZBYRBH-ZWNOBZJWSA-N -1 0 327.450 2.899 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000080251539 473004098 /nfs/dbraw/zinc/00/40/98/473004098.db2.gz UOTAETRBZBYRBH-GXFFZTMASA-N -1 0 327.450 2.899 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000080251556 473004400 /nfs/dbraw/zinc/00/44/00/473004400.db2.gz UOTAETRBZBYRBH-MFKMUULPSA-N -1 0 327.450 2.899 20 30 EFEDRM N#Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(F)c1 ZINC000135059125 473014390 /nfs/dbraw/zinc/01/43/90/473014390.db2.gz UYXAYJMAPCBYBA-UHFFFAOYSA-N -1 0 338.338 2.896 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(OCC2CC2)cc1 ZINC000066002908 473036018 /nfs/dbraw/zinc/03/60/18/473036018.db2.gz IDRMPOYZVQLJNG-UHFFFAOYSA-N -1 0 332.381 2.564 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC#N)C2CCCC2)n1 ZINC000080483323 473037890 /nfs/dbraw/zinc/03/78/90/473037890.db2.gz ABVKANZLCXMJOW-UHFFFAOYSA-N -1 0 342.374 2.934 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)n(CCC#N)n1 ZINC000066247963 473063116 /nfs/dbraw/zinc/06/31/16/473063116.db2.gz PZCCTLWIQZLKBV-UHFFFAOYSA-N -1 0 330.822 2.621 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)n(CCC#N)n1 ZINC000066248086 473063339 /nfs/dbraw/zinc/06/33/39/473063339.db2.gz PDHVRJFOQNNYNW-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n(CCC#N)n1 ZINC000066248063 473063961 /nfs/dbraw/zinc/06/39/61/473063961.db2.gz ZEKZFHRINYBSOS-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)c1 ZINC000066249454 473064010 /nfs/dbraw/zinc/06/40/10/473064010.db2.gz XYEUHMNUFLXLSH-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1CC(C)C ZINC000160410312 473119751 /nfs/dbraw/zinc/11/97/51/473119751.db2.gz MTTGNXPRKLEOAD-UHFFFAOYSA-N -1 0 332.429 2.774 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c(F)c1 ZINC000135939006 473122306 /nfs/dbraw/zinc/12/23/06/473122306.db2.gz GQWHXYDOEMKLSR-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1Cl ZINC000052557364 473123632 /nfs/dbraw/zinc/12/36/32/473123632.db2.gz FCYKYCXCRLHHSQ-VIFPVBQESA-N -1 0 329.747 2.521 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000093906454 473160515 /nfs/dbraw/zinc/16/05/15/473160515.db2.gz PQHWEHGQIUWMON-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000110590378 473163926 /nfs/dbraw/zinc/16/39/26/473163926.db2.gz OTSGGSJBZOOWKP-JTQLQIEISA-N -1 0 336.442 2.913 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123664516 473171517 /nfs/dbraw/zinc/17/15/17/473171517.db2.gz PVCGWAIVTWIWNZ-UHFFFAOYSA-N -1 0 331.821 2.933 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCCSC)cc2[n-]c1=S ZINC000136745792 473175441 /nfs/dbraw/zinc/17/54/41/473175441.db2.gz OAFLMLSGRVNFON-UHFFFAOYSA-N -1 0 349.481 2.728 20 30 EFEDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H](C)CCc1ccccc1F ZINC000095404954 473198017 /nfs/dbraw/zinc/19/80/17/473198017.db2.gz GQKNYAHNXKUHTK-GFCCVEGCSA-N -1 0 330.425 2.936 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc(OC)c1 ZINC000137194301 473197968 /nfs/dbraw/zinc/19/79/68/473197968.db2.gz ZPDSUXBZHUGYPN-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nccs1 ZINC000125495839 473418196 /nfs/dbraw/zinc/41/81/96/473418196.db2.gz MFROBZUQFLDHCC-UHFFFAOYSA-N -1 0 343.380 2.507 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(F)c1 ZINC000125501472 473419479 /nfs/dbraw/zinc/41/94/79/473419479.db2.gz PEPSTNDVUICVFQ-UHFFFAOYSA-N -1 0 348.384 2.950 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000190898592 473422549 /nfs/dbraw/zinc/42/25/49/473422549.db2.gz YGTHJCOZKGDMKD-AWEZNQCLSA-N -1 0 340.346 2.701 20 30 EFEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1 ZINC000190900617 473423639 /nfs/dbraw/zinc/42/36/39/473423639.db2.gz BBUKIQBURJWOAC-CYBMUJFWSA-N -1 0 334.383 2.757 20 30 EFEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000190910832 473426675 /nfs/dbraw/zinc/42/66/75/473426675.db2.gz MJBLZZIPMABEKJ-ZDUSSCGKSA-N -1 0 341.415 2.990 20 30 EFEDRM N#CC(=C([O-])c1cccc2c1OCCO2)c1cnc2ccccc2n1 ZINC000190919427 473428874 /nfs/dbraw/zinc/42/88/74/473428874.db2.gz NTSZEOZMUYHQMC-ZDUSSCGKSA-N -1 0 331.331 2.891 20 30 EFEDRM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)sc1C ZINC000185611791 473467668 /nfs/dbraw/zinc/46/76/68/473467668.db2.gz WUTOHACMLPESDY-UHFFFAOYSA-N -1 0 337.426 2.695 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000185630301 473471796 /nfs/dbraw/zinc/47/17/96/473471796.db2.gz RLRBACZAVSFBQW-UHFFFAOYSA-N -1 0 346.412 2.748 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000164542875 473491245 /nfs/dbraw/zinc/49/12/45/473491245.db2.gz BGORZSZGDLJHQO-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000185820168 473522979 /nfs/dbraw/zinc/52/29/79/473522979.db2.gz RKTNXMPQHZRHFM-VIFPVBQESA-N -1 0 341.845 2.750 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172111872 473525480 /nfs/dbraw/zinc/52/54/80/473525480.db2.gz HNZXWGFJRAWXSA-UHFFFAOYSA-N -1 0 345.786 2.794 20 30 EFEDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000178593092 473535580 /nfs/dbraw/zinc/53/55/80/473535580.db2.gz YXPCMFQCOJJFNZ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000167720672 473538638 /nfs/dbraw/zinc/53/86/38/473538638.db2.gz OVBKRTHONDBARW-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178701653 473545146 /nfs/dbraw/zinc/54/51/46/473545146.db2.gz LFELAUIJMUFLHJ-CQSZACIVSA-N -1 0 334.441 2.970 20 30 EFEDRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178701664 473545592 /nfs/dbraw/zinc/54/55/92/473545592.db2.gz LFELAUIJMUFLHJ-AWEZNQCLSA-N -1 0 334.441 2.970 20 30 EFEDRM CSCCCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000185974196 473562854 /nfs/dbraw/zinc/56/28/54/473562854.db2.gz JTBFPPXFROBPEE-UHFFFAOYSA-N -1 0 334.413 2.648 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc([N+](=O)[O-])c1 ZINC000126988831 473565412 /nfs/dbraw/zinc/56/54/12/473565412.db2.gz VXWLGSOPBPVKML-CQSZACIVSA-N -1 0 339.355 2.711 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1C#N ZINC000186039316 473577589 /nfs/dbraw/zinc/57/75/89/473577589.db2.gz OKNAVLBQATWFKR-UHFFFAOYSA-N -1 0 332.703 2.781 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000179024723 473614145 /nfs/dbraw/zinc/61/41/45/473614145.db2.gz DQAKKBOBJFDPAF-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000179025980 473614214 /nfs/dbraw/zinc/61/42/14/473614214.db2.gz LKSKHCZFAMKREE-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000172590272 473652184 /nfs/dbraw/zinc/65/21/84/473652184.db2.gz YPEIUYNSNHTRKV-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1Cl ZINC000186349590 473656371 /nfs/dbraw/zinc/65/63/71/473656371.db2.gz JYSYCXCWTSIZDX-ZDUSSCGKSA-N -1 0 331.715 2.948 20 30 EFEDRM N#CC(=C([O-])c1ccc(-n2ccnn2)cc1)c1nc2ccccc2o1 ZINC000179363364 473679888 /nfs/dbraw/zinc/67/98/88/473679888.db2.gz ZSIGYCMEJKIUHO-CQSZACIVSA-N -1 0 329.319 2.899 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000179377079 473682316 /nfs/dbraw/zinc/68/23/16/473682316.db2.gz LDTKHNIAJPGUAJ-ARFHVFGLSA-N -1 0 346.452 2.970 20 30 EFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000179424222 473686696 /nfs/dbraw/zinc/68/66/96/473686696.db2.gz LOUXVCJFKHHGMJ-JTQLQIEISA-N -1 0 346.389 2.783 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000263232467 473744880 /nfs/dbraw/zinc/74/48/80/473744880.db2.gz CQCXZSCOGKYZEL-OAHLLOKOSA-N -1 0 345.395 2.587 20 30 EFEDRM N#CCC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263261157 473745785 /nfs/dbraw/zinc/74/57/85/473745785.db2.gz QJQNESVQDCVESY-UYSNPLJNSA-N -1 0 329.400 2.974 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC000263461909 473757088 /nfs/dbraw/zinc/75/70/88/473757088.db2.gz QDKJWIXYWQHVEY-UHFFFAOYSA-N -1 0 343.301 2.865 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000186911031 473779812 /nfs/dbraw/zinc/77/98/12/473779812.db2.gz AMFYKNGTMVWMRF-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000186961428 473787831 /nfs/dbraw/zinc/78/78/31/473787831.db2.gz PMUXOFILADRJNM-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187008722 473799716 /nfs/dbraw/zinc/79/97/16/473799716.db2.gz AYRXVFWOTIOPRI-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000281857241 473861324 /nfs/dbraw/zinc/86/13/24/473861324.db2.gz MQQMDEHGEXFJPX-UHFFFAOYSA-N -1 0 346.740 2.502 20 30 EFEDRM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000173739609 473922523 /nfs/dbraw/zinc/92/25/23/473922523.db2.gz QDDOAILXUSVTGW-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000194789217 473953898 /nfs/dbraw/zinc/95/38/98/473953898.db2.gz CAFIHPUIHRXVNC-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)sc2c1CCCCCC2 ZINC000188151400 474001384 /nfs/dbraw/zinc/00/13/84/474001384.db2.gz RYJBHWPSVDTHTK-CHWSQXEVSA-N -1 0 348.424 2.849 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C#N ZINC000181144859 474009530 /nfs/dbraw/zinc/00/95/30/474009530.db2.gz SQUVKIJCHKUPTE-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#C[C@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cccc(F)c1 ZINC000181291042 474021347 /nfs/dbraw/zinc/02/13/47/474021347.db2.gz NGRSTKDBDTZVJU-MRVPVSSYSA-N -1 0 342.252 2.525 20 30 EFEDRM N#C[C@@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1F ZINC000181292100 474023689 /nfs/dbraw/zinc/02/36/89/474023689.db2.gz QZMWTWZKNMHEPC-QMMMGPOBSA-N -1 0 342.252 2.525 20 30 EFEDRM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188223606 474024084 /nfs/dbraw/zinc/02/40/84/474024084.db2.gz CYWZVHXORWGTHF-UHFFFAOYSA-N -1 0 337.379 2.998 20 30 EFEDRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181773181 474062965 /nfs/dbraw/zinc/06/29/65/474062965.db2.gz VJCKPWLLSBMUIW-LBPRGKRZSA-N -1 0 344.392 2.937 20 30 EFEDRM COCCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000188337491 474064840 /nfs/dbraw/zinc/06/48/40/474064840.db2.gz QVFFCDKPWITGBO-UHFFFAOYSA-N -1 0 326.352 2.850 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N(C)Cc3ccc(C#N)cc3)cc2=O)cc1 ZINC000174574638 474065228 /nfs/dbraw/zinc/06/52/28/474065228.db2.gz KEURTPPGKSKVPS-UHFFFAOYSA-N -1 0 346.390 2.618 20 30 EFEDRM CCC(CC)(CNC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000236875336 474293535 /nfs/dbraw/zinc/29/35/35/474293535.db2.gz CPQUNDHHKBQRKG-JXMROGBWSA-N -1 0 330.384 2.609 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)c1F ZINC000183398016 474377242 /nfs/dbraw/zinc/37/72/42/474377242.db2.gz VCJFGEGDLRQTPK-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000183450136 474380399 /nfs/dbraw/zinc/38/03/99/474380399.db2.gz NSIPBKIFWNBUOZ-STQMWFEESA-N -1 0 329.381 2.504 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)c(C)c1C ZINC000271073994 474396914 /nfs/dbraw/zinc/39/69/14/474396914.db2.gz PCCBKBHQZHVHPO-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM O=C([O-])c1coc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000183803201 474431399 /nfs/dbraw/zinc/43/13/99/474431399.db2.gz LHYHIKUZEYKMCJ-UHFFFAOYSA-N -1 0 337.253 2.778 20 30 EFEDRM N#Cc1ccc(N2CCC(N=c3[n-]c(-c4ccccc4)no3)CC2)nc1 ZINC000608974799 480107961 /nfs/dbraw/zinc/10/79/61/480107961.db2.gz LKUJQVFFTQQACS-UHFFFAOYSA-N -1 0 346.394 2.506 20 30 EFEDRM CCOC(=O)N1CC[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000184534063 474540487 /nfs/dbraw/zinc/54/04/87/474540487.db2.gz QZJFMUFFGPDWHC-JRUYLCMPSA-N -1 0 341.751 2.604 20 30 EFEDRM Cn1nc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C1CC1 ZINC000290515311 474574790 /nfs/dbraw/zinc/57/47/90/474574790.db2.gz MDAXEDRFOOXDEK-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290621537 474579532 /nfs/dbraw/zinc/57/95/32/474579532.db2.gz KKOWYQORCICACK-UHFFFAOYSA-N -1 0 331.397 2.679 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000184764425 474602945 /nfs/dbraw/zinc/60/29/45/474602945.db2.gz SEEKRXDYHNLDQB-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000184784025 474606264 /nfs/dbraw/zinc/60/62/64/474606264.db2.gz AQIRZNPPAWZDMX-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000184786933 474607132 /nfs/dbraw/zinc/60/71/32/474607132.db2.gz TXGYHVUSOPFHMD-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000184834993 474616320 /nfs/dbraw/zinc/61/63/20/474616320.db2.gz UPJCTEAUXLLUML-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CCc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)ccc1O ZINC000291589882 474625870 /nfs/dbraw/zinc/62/58/70/474625870.db2.gz VXUNTHPFDXHODT-UHFFFAOYSA-N -1 0 335.407 2.789 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)o1 ZINC000340795177 474673597 /nfs/dbraw/zinc/67/35/97/474673597.db2.gz WUVKGXVZMMRNGC-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000291845796 474716350 /nfs/dbraw/zinc/71/63/50/474716350.db2.gz HYWPLFRNAXMKQC-UHFFFAOYSA-N -1 0 341.433 2.976 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000291919531 474751659 /nfs/dbraw/zinc/75/16/59/474751659.db2.gz URHHIZANRIGXHK-UHFFFAOYSA-N -1 0 341.204 2.565 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000291922325 474754245 /nfs/dbraw/zinc/75/42/45/474754245.db2.gz UZOQVJRLMYOWJX-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM N#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000344624430 474770755 /nfs/dbraw/zinc/77/07/55/474770755.db2.gz JCDPNTBXQQIEIZ-UHFFFAOYSA-N -1 0 349.437 2.582 20 30 EFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000337194585 474772139 /nfs/dbraw/zinc/77/21/39/474772139.db2.gz VLWWATGMLCHKAP-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1 ZINC000344630482 474772603 /nfs/dbraw/zinc/77/26/03/474772603.db2.gz HYDBLIAPMKYVJO-CYBMUJFWSA-N -1 0 348.362 2.635 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cs1 ZINC000344924408 474811525 /nfs/dbraw/zinc/81/15/25/474811525.db2.gz XOPQKEJXBVCJGQ-GFCCVEGCSA-N -1 0 328.397 2.759 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(-c2ccccc2F)n1 ZINC000340971196 474833209 /nfs/dbraw/zinc/83/32/09/474833209.db2.gz WCAVCTBEQTUUKX-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000311413016 474838891 /nfs/dbraw/zinc/83/88/91/474838891.db2.gz JDONUDLEVIKLRJ-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCC(C)(C)CC#N ZINC000316183526 474878209 /nfs/dbraw/zinc/87/82/09/474878209.db2.gz KOKMQQJJAGILQD-UHFFFAOYSA-N -1 0 344.820 2.565 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000318803257 474892973 /nfs/dbraw/zinc/89/29/73/474892973.db2.gz SLFWPVLIGQJFPQ-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)nc(OC)c2)n1 ZINC000337338712 474912120 /nfs/dbraw/zinc/91/21/20/474912120.db2.gz FXQQMNIPUWDFEZ-LLVKDONJSA-N -1 0 345.380 2.522 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000321146337 474921461 /nfs/dbraw/zinc/92/14/61/474921461.db2.gz VTXFOPUJOLREQA-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323704073 474953724 /nfs/dbraw/zinc/95/37/24/474953724.db2.gz GQKYUVYOQCLQMF-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000323804381 474955042 /nfs/dbraw/zinc/95/50/42/474955042.db2.gz HKHNIVHFQOQDGR-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C)c1C(=O)[O-] ZINC000324378325 474967895 /nfs/dbraw/zinc/96/78/95/474967895.db2.gz JVYZWVAFYFZSFP-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)[n-]1 ZINC000345183624 474969883 /nfs/dbraw/zinc/96/98/83/474969883.db2.gz CPGIERNBNUCKLZ-PXNSSMCTSA-N -1 0 334.423 2.990 20 30 EFEDRM C=CCOc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324750369 474976932 /nfs/dbraw/zinc/97/69/32/474976932.db2.gz SAPUOEOWJKJMBL-MRXNPFEDSA-N -1 0 325.364 2.850 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(=O)n1 ZINC000345197134 474981120 /nfs/dbraw/zinc/98/11/20/474981120.db2.gz WTXKPUUQKMBUQG-GFCCVEGCSA-N -1 0 337.166 2.792 20 30 EFEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000293444847 474983513 /nfs/dbraw/zinc/98/35/13/474983513.db2.gz XCZDLGSKCSXLBW-STQMWFEESA-N -1 0 349.456 2.971 20 30 EFEDRM Cc1ccnn1-c1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000345215676 474999233 /nfs/dbraw/zinc/99/92/33/474999233.db2.gz OUQUXWLTFYGRNE-UHFFFAOYSA-N -1 0 334.383 2.504 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000279958043 475000789 /nfs/dbraw/zinc/00/07/89/475000789.db2.gz NOEYMHFPEXDLHO-UHFFFAOYSA-N -1 0 345.424 2.983 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000326787184 475010608 /nfs/dbraw/zinc/01/06/08/475010608.db2.gz WGWNTKNYWXIFGB-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(C(=O)[O-])c1 ZINC000327554182 475023593 /nfs/dbraw/zinc/02/35/93/475023593.db2.gz XSWHLQOZQVUZNT-NSHDSACASA-N -1 0 340.335 2.671 20 30 EFEDRM CC(=O)N1CCC[C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000280911906 475055753 /nfs/dbraw/zinc/05/57/53/475055753.db2.gz GOENQHKMPBHKEN-CPWFCVNUSA-N -1 0 339.779 2.631 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)c2cnc3ccc(C)cc3c2O)n1 ZINC000286642698 475074144 /nfs/dbraw/zinc/07/41/44/475074144.db2.gz KYZXRLBKNOUSII-UHFFFAOYSA-N -1 0 348.406 2.741 20 30 EFEDRM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286852632 475083201 /nfs/dbraw/zinc/08/32/01/475083201.db2.gz XLVUHNZQLPEHBG-UHFFFAOYSA-N -1 0 346.399 2.568 20 30 EFEDRM Cn1c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc2[nH]c1=O ZINC000337545630 475113942 /nfs/dbraw/zinc/11/39/42/475113942.db2.gz OAOFICYBPJFBSD-LLVKDONJSA-N -1 0 332.319 2.910 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1 ZINC000341530705 475119418 /nfs/dbraw/zinc/11/94/18/475119418.db2.gz AKLFMPMXBPLYPE-UHFFFAOYSA-N -1 0 336.363 2.770 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(CC)CC3)cc2[n-]c1=S ZINC000295341667 475121443 /nfs/dbraw/zinc/12/14/43/475121443.db2.gz BEJGGKAXXXSKBF-UHFFFAOYSA-N -1 0 329.425 2.544 20 30 EFEDRM CC[C@H]1C[C@@H](C([O-])=Nc2cccc(-c3nnnn3C)c2)CC(=O)N1 ZINC000329762051 475128565 /nfs/dbraw/zinc/12/85/65/475128565.db2.gz SFVNGRCTHGVOEM-NEPJUHHUSA-N -1 0 328.376 2.610 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000273975987 475144902 /nfs/dbraw/zinc/14/49/02/475144902.db2.gz SUYGUZCHUBIMFY-UHFFFAOYSA-N -1 0 329.219 2.863 20 30 EFEDRM N#Cc1ccncc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000341616840 475186905 /nfs/dbraw/zinc/18/69/05/475186905.db2.gz RCEFGWAWDOTVKL-UHFFFAOYSA-N -1 0 341.783 2.799 20 30 EFEDRM O=C([O-])[C@H]1CC12CCN(C(=O)CCNC(=O)C1CCCCC1)CC2 ZINC000330253711 475219777 /nfs/dbraw/zinc/21/97/77/475219777.db2.gz APWFCSNJAAAEGM-CQSZACIVSA-N -1 0 336.432 2.627 20 30 EFEDRM CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000330716290 475268899 /nfs/dbraw/zinc/26/88/99/475268899.db2.gz CUYLRXCWLSBCHV-JTQLQIEISA-N -1 0 345.852 2.663 20 30 EFEDRM CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)N1CC[C@@H](C)C1 ZINC000330716291 475269040 /nfs/dbraw/zinc/26/90/40/475269040.db2.gz CUYLRXCWLSBCHV-SNVBAGLBSA-N -1 0 345.852 2.663 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000341746619 475270294 /nfs/dbraw/zinc/27/02/94/475270294.db2.gz XTYZIEMVZIPWHE-YEBMWUKDSA-N -1 0 342.420 2.552 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C#N)C2CCCCC2)cc1C#N ZINC000330752872 475274419 /nfs/dbraw/zinc/27/44/19/475274419.db2.gz VWYQDUSCULHVQN-ZDUSSCGKSA-N -1 0 330.413 2.583 20 30 EFEDRM N#CC1CCC(CNC(=O)N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000331271425 475331919 /nfs/dbraw/zinc/33/19/19/475331919.db2.gz NEQYNUOCJDGRSC-UHFFFAOYSA-N -1 0 333.339 2.635 20 30 EFEDRM CC[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C1CCOCC1 ZINC000330979464 475298367 /nfs/dbraw/zinc/29/83/67/475298367.db2.gz PBOFSNHBWYLNTJ-NSHDSACASA-N -1 0 326.466 2.789 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000347406854 475303297 /nfs/dbraw/zinc/30/32/97/475303297.db2.gz DUYWFIQGZGPCRL-GOSISDBHSA-N -1 0 347.374 2.660 20 30 EFEDRM CSc1cccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)c1 ZINC000337800021 475334086 /nfs/dbraw/zinc/33/40/86/475334086.db2.gz GGAMZKJDCURLDW-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000347432334 475312123 /nfs/dbraw/zinc/31/21/23/475312123.db2.gz UOVMNRAGQMIUOJ-UHFFFAOYSA-N -1 0 337.404 2.919 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)cc1C#N ZINC000331118606 475312786 /nfs/dbraw/zinc/31/27/86/475312786.db2.gz NJWCHWUDFQOFPZ-KBPBESRZSA-N -1 0 349.456 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1[O-] ZINC000345713201 475388853 /nfs/dbraw/zinc/38/88/53/475388853.db2.gz XJJZZKLPXUWLRT-UHFFFAOYSA-N -1 0 343.726 2.500 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000337869675 475392913 /nfs/dbraw/zinc/39/29/13/475392913.db2.gz QDRONLOJWMJUFP-UHFFFAOYSA-N -1 0 341.186 2.909 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000358135851 475431411 /nfs/dbraw/zinc/43/14/11/475431411.db2.gz KPCVICWLHMBYCR-UHFFFAOYSA-N -1 0 338.738 2.975 20 30 EFEDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000358167648 475455042 /nfs/dbraw/zinc/45/50/42/475455042.db2.gz NKVCXUUVEZXDNK-UHFFFAOYSA-N -1 0 342.833 2.816 20 30 EFEDRM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000339788891 475505205 /nfs/dbraw/zinc/50/52/05/475505205.db2.gz RVGKEJVWBBHIOQ-ZCFIWIBFSA-N -1 0 326.162 2.580 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s[n-]1 ZINC000338014737 475508582 /nfs/dbraw/zinc/50/85/82/475508582.db2.gz DAPBLXVWRHBLHP-SNVBAGLBSA-N -1 0 330.413 2.721 20 30 EFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2C)c1C#N ZINC000361527259 475521790 /nfs/dbraw/zinc/52/17/90/475521790.db2.gz GELULNMAKGAIHQ-UHFFFAOYSA-N -1 0 347.444 2.545 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000338028271 475522687 /nfs/dbraw/zinc/52/26/87/475522687.db2.gz LXYFJRKZLOTFCA-AAEUAGOBSA-N -1 0 330.413 2.693 20 30 EFEDRM N#Cc1cccc(F)c1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000352696798 475539747 /nfs/dbraw/zinc/53/97/47/475539747.db2.gz QRKOAICLJWVSQT-UHFFFAOYSA-N -1 0 344.396 2.880 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC(C)(C)C#N)n2)c1 ZINC000346143737 475564511 /nfs/dbraw/zinc/56/45/11/475564511.db2.gz HQEYAPJVXGLEQN-UHFFFAOYSA-N -1 0 326.400 2.981 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1 ZINC000346245199 475576019 /nfs/dbraw/zinc/57/60/19/475576019.db2.gz RQDBMJRJQKYBRW-CYBMUJFWSA-N -1 0 346.346 2.692 20 30 EFEDRM N#CCc1ccc(CSc2n[n-]c(=NC[C@@H]3CCCO3)s2)cc1 ZINC000342236642 475576329 /nfs/dbraw/zinc/57/63/29/475576329.db2.gz WLJJBVAVTYFILE-AWEZNQCLSA-N -1 0 346.481 2.909 20 30 EFEDRM N#CCc1ccc(CSc2n[n-]c(=NC[C@H]3CCCO3)s2)cc1 ZINC000342237802 475576927 /nfs/dbraw/zinc/57/69/27/475576927.db2.gz WLJJBVAVTYFILE-CQSZACIVSA-N -1 0 346.481 2.909 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000346533160 475636753 /nfs/dbraw/zinc/63/67/53/475636753.db2.gz UOCMHRKBVPDOFO-UHFFFAOYSA-N -1 0 349.390 2.901 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000355063457 475637291 /nfs/dbraw/zinc/63/72/91/475637291.db2.gz RVUCLGAAJDTWDR-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000352976341 475672831 /nfs/dbraw/zinc/67/28/31/475672831.db2.gz HOULADKESZSSFQ-UHFFFAOYSA-N -1 0 341.186 2.909 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3(C#N)CCCCC3)n2)c1 ZINC000332637828 475697129 /nfs/dbraw/zinc/69/71/29/475697129.db2.gz ILFFRCZZFZKQBL-UHFFFAOYSA-N -1 0 342.374 2.982 20 30 EFEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc2ccccc2o1 ZINC000340037035 475703629 /nfs/dbraw/zinc/70/36/29/475703629.db2.gz GSORUSUMMHNSJX-AWEZNQCLSA-N -1 0 343.346 2.958 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N=c1ccc(OC)n[n-]1)c1ccc(F)c(F)c1 ZINC000346626687 475712347 /nfs/dbraw/zinc/71/23/47/475712347.db2.gz AYQCPYBKQPWJLO-OAHLLOKOSA-N -1 0 334.326 2.624 20 30 EFEDRM C=C(C)[C@H](NC(=O)N=c1ccc(OC)n[n-]1)c1ccc(F)c(F)c1 ZINC000346626686 475713054 /nfs/dbraw/zinc/71/30/54/475713054.db2.gz AYQCPYBKQPWJLO-HNNXBMFYSA-N -1 0 334.326 2.624 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ccc1OC(C)C ZINC000361772679 475740384 /nfs/dbraw/zinc/74/03/84/475740384.db2.gz OKNNTIAZKXGRAQ-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(Cl)c1 ZINC000361791147 475757476 /nfs/dbraw/zinc/75/74/76/475757476.db2.gz ZMFCGQWTRSSKJX-UHFFFAOYSA-N -1 0 332.719 2.604 20 30 EFEDRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2c1 ZINC000343111311 475776192 /nfs/dbraw/zinc/77/61/92/475776192.db2.gz VFJKIIJNJSYHJH-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2c(F)cccc2[N+](=O)[O-])s1 ZINC000349041815 475898048 /nfs/dbraw/zinc/89/80/48/475898048.db2.gz JAROWMQTULDDBM-UHFFFAOYSA-N -1 0 326.378 2.898 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)co1 ZINC000338581645 476026915 /nfs/dbraw/zinc/02/69/15/476026915.db2.gz IAGLWHSVOMJJCY-SECBINFHSA-N -1 0 333.369 2.750 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)C=C([O-])c2ccc(C#N)cc2)cc1F ZINC000338609000 476050053 /nfs/dbraw/zinc/05/00/53/476050053.db2.gz KPMHEWCVYMBBNR-UHFFFAOYSA-N -1 0 335.331 2.802 20 30 EFEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccoc3)s2)cc1 ZINC000350128557 476062037 /nfs/dbraw/zinc/06/20/37/476062037.db2.gz WTHVJMKPQJYKCX-UHFFFAOYSA-N -1 0 345.405 2.999 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2S[C@@H](C)C(N)=O)n1 ZINC000338620813 476062436 /nfs/dbraw/zinc/06/24/36/476062436.db2.gz AFPKPQBCRPMLRK-JQWIXIFHSA-N -1 0 345.449 2.908 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3CC#N)n[nH]2)o1 ZINC000355839695 476064938 /nfs/dbraw/zinc/06/49/38/476064938.db2.gz XQNPPQVOEJFFGX-UHFFFAOYSA-N -1 0 342.380 2.845 20 30 EFEDRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccccc2CC#N)n1 ZINC000355840105 476065777 /nfs/dbraw/zinc/06/57/77/476065777.db2.gz YTAPFKSKGNNILB-UHFFFAOYSA-N -1 0 332.429 2.796 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C#N)c(C)n2)s[n-]1 ZINC000350157007 476072542 /nfs/dbraw/zinc/07/25/42/476072542.db2.gz QTPJLQHVQBNLKN-UHFFFAOYSA-N -1 0 341.421 2.824 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc12 ZINC000359035764 476133738 /nfs/dbraw/zinc/13/37/38/476133738.db2.gz NTXPXBIZSHATPC-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000359039767 476136878 /nfs/dbraw/zinc/13/68/78/476136878.db2.gz XUYGWLBLMONYHS-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C)n1 ZINC000356862473 476140773 /nfs/dbraw/zinc/14/07/73/476140773.db2.gz FDOFTWJLHAVBIU-NSHDSACASA-N -1 0 346.412 2.896 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000336867992 476149997 /nfs/dbraw/zinc/14/99/97/476149997.db2.gz VCMAPHJTIZVHQZ-UHFFFAOYSA-N -1 0 337.382 2.891 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000336875978 476161886 /nfs/dbraw/zinc/16/18/86/476161886.db2.gz OINRZLMQSRAPQM-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359096260 476185458 /nfs/dbraw/zinc/18/54/58/476185458.db2.gz CJPARUSUYMXPIZ-UHFFFAOYSA-N -1 0 336.442 2.810 20 30 EFEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357089211 476223113 /nfs/dbraw/zinc/22/31/13/476223113.db2.gz YOEIUMDWAYRWKU-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cccc(C)c1OC[C@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344296917 476226835 /nfs/dbraw/zinc/22/68/35/476226835.db2.gz AQCWIVMACKRYJG-ZDUSSCGKSA-N -1 0 334.397 2.514 20 30 EFEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc21 ZINC000357101144 476232749 /nfs/dbraw/zinc/23/27/49/476232749.db2.gz GIPXQPPCCKTQAA-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3cncc(C#N)c3)ccc2n1 ZINC000357128780 476252238 /nfs/dbraw/zinc/25/22/38/476252238.db2.gz GWIKMTCWQJCHNQ-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM C=C[C@@H](C)NC(=O)N=c1nc(Sc2ccc(OC)cc2)[n-]s1 ZINC000350623157 476270157 /nfs/dbraw/zinc/27/01/57/476270157.db2.gz LFZDXRLMEPXJQS-SECBINFHSA-N -1 0 336.442 2.816 20 30 EFEDRM CCCCOc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)cc1OCC ZINC000357164761 476271420 /nfs/dbraw/zinc/27/14/20/476271420.db2.gz NADDHJODAKHJRQ-UHFFFAOYSA-N -1 0 342.399 2.842 20 30 EFEDRM COc1ccc(Cn2cc(NC(=O)c3ccc(C#N)c([O-])c3)cn2)cc1 ZINC000357167512 476273160 /nfs/dbraw/zinc/27/31/60/476273160.db2.gz SGQXATKMHDJOBU-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c([N+](=O)[O-])c1 ZINC000353793868 476274770 /nfs/dbraw/zinc/27/47/70/476274770.db2.gz LWCSCECNZLEVII-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(c3c(Cl)cccc3Cl)CC2)c1C#N ZINC000357171619 476275715 /nfs/dbraw/zinc/27/57/15/476275715.db2.gz CPQSNHKXRBRIJM-UHFFFAOYSA-N -1 0 335.194 2.989 20 30 EFEDRM O=C([O-])c1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000362488763 476279628 /nfs/dbraw/zinc/27/96/28/476279628.db2.gz MJXVRKLKLRTBIE-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)N[C@@H](CCC#N)c2ccccc2)s[n-]1 ZINC000350717366 476293934 /nfs/dbraw/zinc/29/39/34/476293934.db2.gz RKOADMKLDNBZTB-YPMHNXCESA-N -1 0 345.428 2.834 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000362519672 476294968 /nfs/dbraw/zinc/29/49/68/476294968.db2.gz NEDLAAYGRASWRP-BJOHPYRUSA-N -1 0 349.456 2.586 20 30 EFEDRM C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350741267 476296142 /nfs/dbraw/zinc/29/61/42/476296142.db2.gz MPBJUIGFMUUADD-UKRRQHHQSA-N -1 0 344.463 2.888 20 30 EFEDRM C=CCn1c([C@H]2CCO[C@H]2C(C)(C)C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350741265 476296466 /nfs/dbraw/zinc/29/64/66/476296466.db2.gz MPBJUIGFMUUADD-DZGCQCFKSA-N -1 0 344.463 2.888 20 30 EFEDRM C=CCn1c(CCCc2cccs2)n[n-]c1=Nc1cnn(C)c1 ZINC000350752486 476296871 /nfs/dbraw/zinc/29/68/71/476296871.db2.gz OVHKDMCTZHOMLA-UHFFFAOYSA-N -1 0 328.445 2.600 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000362536869 476300592 /nfs/dbraw/zinc/30/05/92/476300592.db2.gz CQWYVFYDIRFLLP-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c1C#N ZINC000357239736 476300809 /nfs/dbraw/zinc/30/08/09/476300809.db2.gz HVEDSUJKGWPGAM-CYBMUJFWSA-N -1 0 326.400 2.850 20 30 EFEDRM COc1ccc2cc([C@H](C)C(=O)N=c3[nH][n-]c(C)c3C#N)ccc2c1 ZINC000357251292 476305479 /nfs/dbraw/zinc/30/54/79/476305479.db2.gz ZZXVWKMCHIKRPK-NSHDSACASA-N -1 0 334.379 2.916 20 30 EFEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000350920714 476313972 /nfs/dbraw/zinc/31/39/72/476313972.db2.gz RTTLADWUNSTOSZ-JSGCOSHPSA-N -1 0 340.431 2.971 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1 ZINC000362626763 476332036 /nfs/dbraw/zinc/33/20/36/476332036.db2.gz JTQHZEOULMJOKM-UHFFFAOYSA-N -1 0 349.346 2.615 20 30 EFEDRM N#Cc1cc(F)c(CN=c2[n-]nc(Cc3ccsc3)o2)c(F)c1 ZINC000362644878 476338616 /nfs/dbraw/zinc/33/86/16/476338616.db2.gz WCWXMCJNNWZBMQ-UHFFFAOYSA-N -1 0 332.335 2.906 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000357346016 476340363 /nfs/dbraw/zinc/34/03/63/476340363.db2.gz VBQZXKOKGJUQCV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C=CCn1c([C@H](C)Oc2ccccc2F)n[n-]c1=Nc1cnn(C)c1 ZINC000351120044 476342164 /nfs/dbraw/zinc/34/21/64/476342164.db2.gz VYYIUENYOTUCDJ-LBPRGKRZSA-N -1 0 342.378 2.642 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000357369394 476348309 /nfs/dbraw/zinc/34/83/09/476348309.db2.gz KORGZLZYXLHMLO-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000357394036 476357042 /nfs/dbraw/zinc/35/70/42/476357042.db2.gz UYBQRPRAQYSKRK-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000368599682 476359440 /nfs/dbraw/zinc/35/94/40/476359440.db2.gz BXYQZSUWIFFUPD-UHFFFAOYSA-N -1 0 333.413 2.585 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357476071 476405278 /nfs/dbraw/zinc/40/52/78/476405278.db2.gz SNUOQHRGDHOYAG-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1 ZINC000362868729 476453255 /nfs/dbraw/zinc/45/32/55/476453255.db2.gz QUHDCIQNWHFTBV-UHFFFAOYSA-N -1 0 348.771 2.594 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)NCC(C)(C)CCC#N)cc1C(=O)[O-] ZINC000352191342 476537322 /nfs/dbraw/zinc/53/73/22/476537322.db2.gz GYSKXDASOOOLQP-UHFFFAOYSA-N -1 0 338.429 2.610 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC000352194286 476541169 /nfs/dbraw/zinc/54/11/69/476541169.db2.gz WHMLYIZEHSBHHN-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)s[n-]1 ZINC000357699747 476545669 /nfs/dbraw/zinc/54/56/69/476545669.db2.gz VSDUBFMJMXCTLA-SECBINFHSA-N -1 0 348.403 2.594 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000357702764 476547989 /nfs/dbraw/zinc/54/79/89/476547989.db2.gz DDNJDROCZZXTFZ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c2[C@H]1C ZINC000414102424 476872449 /nfs/dbraw/zinc/87/24/49/476872449.db2.gz SXLGHEXCWBKYBL-QCZKYFFMSA-N -1 0 348.424 2.876 20 30 EFEDRM Cc1cc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)ccc1C#N ZINC000446963496 476937279 /nfs/dbraw/zinc/93/72/79/476937279.db2.gz ZACDOZUCXMKCPN-QGZVFWFLSA-N -1 0 332.363 2.960 20 30 EFEDRM CCOC(=O)c1cnc(NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]1 ZINC000415635317 476946919 /nfs/dbraw/zinc/94/69/19/476946919.db2.gz CNUYDTPQFIMOFF-UHFFFAOYSA-N -1 0 326.356 2.640 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000447158719 476959673 /nfs/dbraw/zinc/95/96/73/476959673.db2.gz XVBYMYXYRLMWCG-LBPRGKRZSA-N -1 0 339.413 2.513 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CSCC3)cc1 ZINC000375715422 476967508 /nfs/dbraw/zinc/96/75/08/476967508.db2.gz WYTBIJAVWQLYRB-UHFFFAOYSA-N -1 0 337.451 2.605 20 30 EFEDRM C=CCN1C(=O)N=NC1SCc1nc(Cc2cccc(F)c2)no1 ZINC000447286473 476971377 /nfs/dbraw/zinc/97/13/77/476971377.db2.gz JPWDMPACVOSDCG-UHFFFAOYSA-N -1 0 347.375 2.575 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c([N+](=O)[O-])c1 ZINC000431184804 476991834 /nfs/dbraw/zinc/99/18/34/476991834.db2.gz VZPBQJPUBXAPGT-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000431313372 477008444 /nfs/dbraw/zinc/00/84/44/477008444.db2.gz OUBTYLBJWKMKDN-MRVPVSSYSA-N -1 0 333.273 2.914 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)[n-]1 ZINC000410538532 477016740 /nfs/dbraw/zinc/01/67/40/477016740.db2.gz HHOCONDSGOWCDQ-XHDPSFHLSA-N -1 0 344.440 2.708 20 30 EFEDRM CCCOc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c(OC)c1 ZINC000410541484 477017030 /nfs/dbraw/zinc/01/70/30/477017030.db2.gz OPTDGWAOQULBPN-UHFFFAOYSA-N -1 0 342.399 2.807 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431616070 477061829 /nfs/dbraw/zinc/06/18/29/477061829.db2.gz CELPATSZCVKFIZ-HNNXBMFYSA-N -1 0 336.363 2.984 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1 ZINC000431633570 477066162 /nfs/dbraw/zinc/06/61/62/477066162.db2.gz CQXAQEKDEGXYSV-OAHLLOKOSA-N -1 0 336.363 2.984 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000431650495 477066676 /nfs/dbraw/zinc/06/66/76/477066676.db2.gz DFPOWGFXAYTILQ-UHFFFAOYSA-N -1 0 342.351 2.671 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(Br)ccc2Cl)c1C#N ZINC000431681584 477074776 /nfs/dbraw/zinc/07/47/76/477074776.db2.gz YQPXTOQBSDESHV-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000416240921 477087607 /nfs/dbraw/zinc/08/76/07/477087607.db2.gz CEJQPTINRSAZGW-NEPJUHHUSA-N -1 0 344.180 2.757 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)[n-]1 ZINC000448192052 477143882 /nfs/dbraw/zinc/14/38/82/477143882.db2.gz UCLWQUGQEKSBKQ-UHFFFAOYSA-N -1 0 346.350 2.537 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000416776955 477307486 /nfs/dbraw/zinc/30/74/86/477307486.db2.gz NBLXVYLHGVKBGY-NSHDSACASA-N -1 0 349.366 2.968 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435731219 477361422 /nfs/dbraw/zinc/36/14/22/477361422.db2.gz KHPFCZJPJXQYSB-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000416943828 477381340 /nfs/dbraw/zinc/38/13/40/477381340.db2.gz UIMPPGYTDMQCQZ-ZIAGYGMSSA-N -1 0 338.429 2.678 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000416947925 477382778 /nfs/dbraw/zinc/38/27/78/477382778.db2.gz YOIQCEOHWHDLFI-SNVBAGLBSA-N -1 0 342.327 2.718 20 30 EFEDRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416955539 477385642 /nfs/dbraw/zinc/38/56/42/477385642.db2.gz VRWDPWAIUSFMHH-ZDUSSCGKSA-N -1 0 326.418 2.918 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424396859 477389420 /nfs/dbraw/zinc/38/94/20/477389420.db2.gz IIDUFUUIAFVYSX-UHFFFAOYSA-N -1 0 331.416 2.981 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(C)cc1OC ZINC000416963896 477390501 /nfs/dbraw/zinc/39/05/01/477390501.db2.gz RTMYUVLACMTUGN-SECBINFHSA-N -1 0 347.234 2.810 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C ZINC000416963277 477390675 /nfs/dbraw/zinc/39/06/75/477390675.db2.gz RHHNHVMNJACVSE-ZDUSSCGKSA-N -1 0 338.820 2.878 20 30 EFEDRM N#CCC1(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000435957731 477398093 /nfs/dbraw/zinc/39/80/93/477398093.db2.gz YIQOLHVLFVOJBK-UHFFFAOYSA-N -1 0 330.775 2.655 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H](Cc2ccccc2F)C(C)=O)s1 ZINC000436117881 477423173 /nfs/dbraw/zinc/42/31/73/477423173.db2.gz JVSSPJZEOSZVFA-ZDUSSCGKSA-N -1 0 337.445 2.989 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000449146878 477458577 /nfs/dbraw/zinc/45/85/77/477458577.db2.gz OTHOMQOOFGIQIE-WFASDCNBSA-N -1 0 332.400 2.721 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000424645629 477464555 /nfs/dbraw/zinc/46/45/55/477464555.db2.gz IJGPWVYRPNDHOG-QHCPKHFHSA-N -1 0 336.457 2.591 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000436601397 477528738 /nfs/dbraw/zinc/52/87/38/477528738.db2.gz BPBYBBQZMWXUND-UHFFFAOYSA-N -1 0 336.394 2.719 20 30 EFEDRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000436619238 477534755 /nfs/dbraw/zinc/53/47/55/477534755.db2.gz QKHWNPPNFDTSKF-AWEZNQCLSA-N -1 0 346.390 2.787 20 30 EFEDRM COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1O ZINC000436625594 477536516 /nfs/dbraw/zinc/53/65/16/477536516.db2.gz FFVWQBZVPQILQV-HWKANZROSA-N -1 0 326.308 2.545 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(OC)c(OC)cc1Cl)C(=O)[O-] ZINC000450535449 477624148 /nfs/dbraw/zinc/62/41/48/477624148.db2.gz NDCLOWDLWCLLSZ-LLVKDONJSA-N -1 0 327.764 2.506 20 30 EFEDRM Cc1cn(C)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000420237264 477644677 /nfs/dbraw/zinc/64/46/77/477644677.db2.gz LJIGQTRWXXHCIY-JTQLQIEISA-N -1 0 329.310 2.963 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000377124989 477655539 /nfs/dbraw/zinc/65/55/39/477655539.db2.gz ZYNLRJMHENTDFP-JXFKEZNVSA-N -1 0 332.407 2.813 20 30 EFEDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000436984726 477658461 /nfs/dbraw/zinc/65/84/61/477658461.db2.gz MXLMZLRRGDFTHA-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000437400857 477703019 /nfs/dbraw/zinc/70/30/19/477703019.db2.gz QSNMCPBAAHUQSH-UHFFFAOYSA-N -1 0 337.426 2.935 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C#N ZINC000377244283 477706756 /nfs/dbraw/zinc/70/67/56/477706756.db2.gz TWOFPDVHAXQILE-UHFFFAOYSA-N -1 0 337.770 2.979 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)NCC(C)(C)CC#N)s2)cc1 ZINC000459264289 477810555 /nfs/dbraw/zinc/81/05/55/477810555.db2.gz YTGNCKAUTYHJIV-UHFFFAOYSA-N -1 0 343.456 2.921 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)ccc1OC(C)C ZINC000451094269 477820489 /nfs/dbraw/zinc/82/04/89/477820489.db2.gz FGHSITLEQOPOFB-UHFFFAOYSA-N -1 0 345.424 2.580 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nc1 ZINC000451100920 477824567 /nfs/dbraw/zinc/82/45/67/477824567.db2.gz ZFNNYWNHWBFUJJ-UHFFFAOYSA-N -1 0 334.376 2.631 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cccc(OCC(C)C)c1)C(=O)[O-] ZINC000515786938 477861320 /nfs/dbraw/zinc/86/13/20/477861320.db2.gz KHNXCLKLJOCOMO-INIZCTEOSA-N -1 0 334.416 2.940 20 30 EFEDRM C=C(C)Cn1c(Cc2c[nH]c3ccccc23)n[n-]c1=Nc1cnn(C)c1 ZINC000460542751 477862083 /nfs/dbraw/zinc/86/20/83/477862083.db2.gz GJYQEWWGRAYKFT-UHFFFAOYSA-N -1 0 347.426 2.825 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2cc(SC)nc(SC)n2)s1 ZINC000515870470 477871196 /nfs/dbraw/zinc/87/11/96/477871196.db2.gz ZFMOJAAEACVXDZ-UHFFFAOYSA-N -1 0 343.528 2.943 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000438761405 477883532 /nfs/dbraw/zinc/88/35/32/477883532.db2.gz AGNPWAIWPBRIAF-UHFFFAOYSA-N -1 0 334.376 2.715 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n(CCC#N)n1 ZINC000531008934 477894033 /nfs/dbraw/zinc/89/40/33/477894033.db2.gz RCHLGNQHTFLFCP-UHFFFAOYSA-N -1 0 330.369 2.652 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000532163046 477919560 /nfs/dbraw/zinc/91/95/60/477919560.db2.gz ICSMTBXKIQBDQO-UHFFFAOYSA-N -1 0 331.397 2.737 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000532163128 477919961 /nfs/dbraw/zinc/91/99/61/477919961.db2.gz XTLWPDGGKUAQDF-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1C ZINC000532417133 477924657 /nfs/dbraw/zinc/92/46/57/477924657.db2.gz DYWNFISVWBYPBE-UHFFFAOYSA-N -1 0 331.397 2.574 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1OCC(C)C)C(=O)[O-] ZINC000516546390 477947879 /nfs/dbraw/zinc/94/78/79/477947879.db2.gz PYKSNPMSCUTSOA-HNNXBMFYSA-N -1 0 334.416 2.940 20 30 EFEDRM C=CCC1(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)CCCC1 ZINC000456486882 477951618 /nfs/dbraw/zinc/95/16/18/477951618.db2.gz NYOOGMXJUAWNSX-UHFFFAOYSA-N -1 0 336.457 2.924 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1cc(C(F)(F)F)ccn1 ZINC000559281701 477972962 /nfs/dbraw/zinc/97/29/62/477972962.db2.gz RZGJAHVZDDCMHR-SNVBAGLBSA-N -1 0 336.273 2.569 20 30 EFEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cccc(CC#N)c1 ZINC000421147837 477981674 /nfs/dbraw/zinc/98/16/74/477981674.db2.gz FTCMFKVIWJOFIW-GOSISDBHSA-N -1 0 344.436 2.752 20 30 EFEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000421147466 477982322 /nfs/dbraw/zinc/98/23/22/477982322.db2.gz CABJFKJGSQKDBR-GOSISDBHSA-N -1 0 344.436 2.752 20 30 EFEDRM N#Cc1cccc(CCNC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000439463735 477983967 /nfs/dbraw/zinc/98/39/67/477983967.db2.gz PFWROSJNVKYLAH-UHFFFAOYSA-N -1 0 343.390 2.801 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c2c(nn1C(C)C)CCC2 ZINC000471945078 478013226 /nfs/dbraw/zinc/01/32/26/478013226.db2.gz VGIHANNMSQNKCB-UHFFFAOYSA-N -1 0 344.440 2.934 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000516946524 478018217 /nfs/dbraw/zinc/01/82/17/478018217.db2.gz IDVROLKQOCNQEC-UHFFFAOYSA-N -1 0 331.821 2.523 20 30 EFEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCC(C)(C)C#N)s2)c1 ZINC000481360462 478026445 /nfs/dbraw/zinc/02/64/45/478026445.db2.gz OZZVIDKQYZFHOC-UHFFFAOYSA-N -1 0 329.429 2.915 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nc(CC)cc(=O)[nH]2)cn1 ZINC000560227834 478034806 /nfs/dbraw/zinc/03/48/06/478034806.db2.gz HOEAZROLQIAEEK-CABCVRRESA-N -1 0 326.400 2.952 20 30 EFEDRM C=CCOc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000439998242 478059704 /nfs/dbraw/zinc/05/97/04/478059704.db2.gz UUULGPIJSOYUBD-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3n[nH]c(=O)n3c2)n1 ZINC000534260460 478131946 /nfs/dbraw/zinc/13/19/46/478131946.db2.gz TYAPOOGPFCYETI-SNVBAGLBSA-N -1 0 327.369 2.505 20 30 EFEDRM C=CCCS(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000518056491 478141448 /nfs/dbraw/zinc/14/14/48/478141448.db2.gz VIHVUOINTYYPSF-WBVHZDCISA-N -1 0 337.441 2.534 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)c2c(F)ccc(SCC3CC3)c2F)[n-]1 ZINC000518120868 478145582 /nfs/dbraw/zinc/14/55/82/478145582.db2.gz SKIOJNKJNLZWKL-UHFFFAOYSA-N -1 0 348.378 2.746 20 30 EFEDRM N#CCc1ccnc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000536542623 478256499 /nfs/dbraw/zinc/25/64/99/478256499.db2.gz ILHGIYPNVWRGGQ-UHFFFAOYSA-N -1 0 332.157 2.868 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000489967743 478293939 /nfs/dbraw/zinc/29/39/39/478293939.db2.gz RUIXQBFJVDVQDO-CQSZACIVSA-N -1 0 325.324 2.857 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597331495 478297145 /nfs/dbraw/zinc/29/71/45/478297145.db2.gz YMQAJINZWWWIPM-DZGCQCFKSA-N -1 0 348.362 2.840 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)C1 ZINC000579466135 478302840 /nfs/dbraw/zinc/30/28/40/478302840.db2.gz SLIGLWSKXTXHDP-WCQYABFASA-N -1 0 345.403 2.504 20 30 EFEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597350173 478306226 /nfs/dbraw/zinc/30/62/26/478306226.db2.gz HPXJXRCDMUJTDI-CYBMUJFWSA-N -1 0 332.791 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c(F)c1 ZINC000570241276 478315819 /nfs/dbraw/zinc/31/58/19/478315819.db2.gz DUHDOGDJONOFNE-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(OC)c2c(c1)N(C(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC000600310678 478333427 /nfs/dbraw/zinc/33/34/27/478333427.db2.gz WDFCOLKFOICLRN-UHFFFAOYSA-N -1 0 338.363 2.874 20 30 EFEDRM COCCOc1ccc(F)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000580081295 478353551 /nfs/dbraw/zinc/35/35/51/478353551.db2.gz JOPNZHLDZXGLKE-UHFFFAOYSA-N -1 0 344.408 2.532 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCCn1ccc2ccccc21)C(=O)[O-] ZINC000580163007 478354972 /nfs/dbraw/zinc/35/49/72/478354972.db2.gz GRXIDPSKALTTIX-OAHLLOKOSA-N -1 0 329.400 2.750 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000580409749 478361031 /nfs/dbraw/zinc/36/10/31/478361031.db2.gz LANOYYLKVLYCBS-HOTGVXAUSA-N -1 0 348.399 2.785 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000580689229 478366915 /nfs/dbraw/zinc/36/69/15/478366915.db2.gz GOFATZUJMBXGAM-HNNXBMFYSA-N -1 0 346.408 2.938 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)=O)o2)n1 ZINC000570474670 478367342 /nfs/dbraw/zinc/36/73/42/478367342.db2.gz NCASBFRBUHNLIB-SECBINFHSA-N -1 0 332.337 2.605 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OCC)cc1 ZINC000490671273 478368169 /nfs/dbraw/zinc/36/81/69/478368169.db2.gz UITXXDGPOMGJME-HNNXBMFYSA-N -1 0 345.399 2.884 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000597492503 478376449 /nfs/dbraw/zinc/37/64/49/478376449.db2.gz AAXYHVIYSFTILW-KRWDZBQOSA-N -1 0 346.337 2.622 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000581308436 478377475 /nfs/dbraw/zinc/37/74/75/478377475.db2.gz NXWOCHYCODFVDQ-ZDUSSCGKSA-N -1 0 349.811 2.881 20 30 EFEDRM C=C(C)CNC(=O)N=c1nc(Sc2ccc(OC)cc2)[n-]s1 ZINC000521943223 478378655 /nfs/dbraw/zinc/37/86/55/478378655.db2.gz QAMJZRJHIUTGCA-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(F)(F)C[C@@H]2C)cc1C#N ZINC000600449122 478378999 /nfs/dbraw/zinc/37/89/99/478378999.db2.gz QKHZXWGEVNDPFR-QMMMGPOBSA-N -1 0 327.356 2.641 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000490865503 478396157 /nfs/dbraw/zinc/39/61/57/478396157.db2.gz CLFQZIYWHVBQEX-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1 ZINC000495922290 478412192 /nfs/dbraw/zinc/41/21/92/478412192.db2.gz ORSXWXTVDGELCH-JTQLQIEISA-N -1 0 336.392 2.871 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(Cc3cccc(Cl)c3)CC2)[n-]1 ZINC000590957469 478416712 /nfs/dbraw/zinc/41/67/12/478416712.db2.gz OCZMAHRZYBNSRN-UHFFFAOYSA-N -1 0 343.818 2.511 20 30 EFEDRM CC(C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000594535861 478427845 /nfs/dbraw/zinc/42/78/45/478427845.db2.gz HBWMMSSRJSUDPN-MRXNPFEDSA-N -1 0 329.400 2.589 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000594537764 478428853 /nfs/dbraw/zinc/42/88/53/478428853.db2.gz LYIGSTFODNXNJF-IXDOHACOSA-N -1 0 343.427 2.825 20 30 EFEDRM N#CC1(CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CCCCC1 ZINC000597629365 478441223 /nfs/dbraw/zinc/44/12/23/478441223.db2.gz QVZBBSZTAAYDID-UHFFFAOYSA-N -1 0 325.372 2.980 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(Cl)cc1F ZINC000491096556 478441778 /nfs/dbraw/zinc/44/17/78/478441778.db2.gz ULTJHAIHLBDOKP-CYBMUJFWSA-N -1 0 349.797 2.744 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000570796626 478448674 /nfs/dbraw/zinc/44/86/74/478448674.db2.gz HQGJKPOGVORLFA-CJNGLKHVSA-N -1 0 334.416 2.735 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC ZINC000600665463 478459624 /nfs/dbraw/zinc/45/96/24/478459624.db2.gz RYOXVZGQIVPGMU-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM CCCN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000600669667 478461165 /nfs/dbraw/zinc/46/11/65/478461165.db2.gz STNQXVUSVVURNZ-UHFFFAOYSA-N -1 0 330.413 2.600 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](CC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570887139 478468149 /nfs/dbraw/zinc/46/81/49/478468149.db2.gz YUORMQSFZXMTLQ-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000570923442 478480414 /nfs/dbraw/zinc/48/04/14/478480414.db2.gz VKULRWORRQYOCI-JKSUJKDBSA-N -1 0 348.399 2.785 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000570923441 478480626 /nfs/dbraw/zinc/48/06/26/478480626.db2.gz VKULRWORRQYOCI-HZPDHXFCSA-N -1 0 348.399 2.785 20 30 EFEDRM C=CCn1c(-c2scnc2C)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000570942826 478486732 /nfs/dbraw/zinc/48/67/32/478486732.db2.gz VHBHEZVMBORWFM-UHFFFAOYSA-N -1 0 329.433 2.839 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594688104 478495383 /nfs/dbraw/zinc/49/53/83/478495383.db2.gz VXVWMPBTOSTEMG-ULQDDVLXSA-N -1 0 341.411 2.528 20 30 EFEDRM C=CCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000582037971 478495629 /nfs/dbraw/zinc/49/56/29/478495629.db2.gz FCGGUCSXVQFMMJ-OAHLLOKOSA-N -1 0 339.457 2.995 20 30 EFEDRM CN(C(=O)NCC1(C#N)CCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000594690834 478497014 /nfs/dbraw/zinc/49/70/14/478497014.db2.gz NTUDEVDPSVQSTI-HNNXBMFYSA-N -1 0 329.400 2.928 20 30 EFEDRM CN(C(=O)NCC1(C#N)CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000594690836 478497038 /nfs/dbraw/zinc/49/70/38/478497038.db2.gz NTUDEVDPSVQSTI-OAHLLOKOSA-N -1 0 329.400 2.928 20 30 EFEDRM CC(=Cc1ccc(O[C@@H]2CCOC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594697533 478501707 /nfs/dbraw/zinc/50/17/07/478501707.db2.gz XRAFFLHTAFOQFI-ONOODXEBSA-N -1 0 337.379 2.678 20 30 EFEDRM N#CC1(CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCC1 ZINC000597784466 478506591 /nfs/dbraw/zinc/50/65/91/478506591.db2.gz SOWWADMAXJVBGB-UHFFFAOYSA-N -1 0 330.775 2.655 20 30 EFEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000594728920 478516976 /nfs/dbraw/zinc/51/69/76/478516976.db2.gz HRKNTDFSLGLNQW-UHFFFAOYSA-N -1 0 346.412 2.574 20 30 EFEDRM C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[C@H]1C(=O)[O-] ZINC000600801439 478526872 /nfs/dbraw/zinc/52/68/72/478526872.db2.gz QDJHLGYFZCHZDO-ZWNOBZJWSA-N -1 0 340.339 2.562 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000571164444 478535570 /nfs/dbraw/zinc/53/55/70/478535570.db2.gz YLVLLDGFOQWDAT-JYJNAYRXSA-N -1 0 338.448 2.690 20 30 EFEDRM N#CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000594803828 478545613 /nfs/dbraw/zinc/54/56/13/478545613.db2.gz GMNHCZYJKDWEID-JTQLQIEISA-N -1 0 348.346 2.725 20 30 EFEDRM CSCC1(CC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000594815449 478550215 /nfs/dbraw/zinc/55/02/15/478550215.db2.gz CKMJBJKASNJEMJ-UHFFFAOYSA-N -1 0 346.424 2.648 20 30 EFEDRM C#C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(F)cc1 ZINC000491473973 478558568 /nfs/dbraw/zinc/55/85/68/478558568.db2.gz IYSMFBWNFUXSIS-NSHDSACASA-N -1 0 338.264 2.552 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000491555587 478586470 /nfs/dbraw/zinc/58/64/70/478586470.db2.gz RVNDKTAVESYQQT-UHFFFAOYSA-N -1 0 338.392 2.887 20 30 EFEDRM C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000600964572 478587390 /nfs/dbraw/zinc/58/73/90/478587390.db2.gz QWWJJYURTFQQHJ-WCQYABFASA-N -1 0 332.404 2.689 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000491645010 478613742 /nfs/dbraw/zinc/61/37/42/478613742.db2.gz MNTLPSGNRZBNBD-NSHDSACASA-N -1 0 330.413 2.559 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1 ZINC000571566406 478626785 /nfs/dbraw/zinc/62/67/85/478626785.db2.gz VAWMNPWBXHCQFF-UHFFFAOYSA-N -1 0 330.384 2.550 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000491695853 478636824 /nfs/dbraw/zinc/63/68/24/478636824.db2.gz IFFDGBAQHQCKSG-QMMMGPOBSA-N -1 0 338.795 2.905 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1 ZINC000601069695 478639376 /nfs/dbraw/zinc/63/93/76/478639376.db2.gz VMUJJJJNXGQZID-GFCCVEGCSA-N -1 0 346.408 2.708 20 30 EFEDRM CC[C@@H](NN=Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC000496275489 478643270 /nfs/dbraw/zinc/64/32/70/478643270.db2.gz OVSNTFYVENCJSM-CQSZACIVSA-N -1 0 347.415 2.771 20 30 EFEDRM C=CC1CCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000601086393 478646725 /nfs/dbraw/zinc/64/67/25/478646725.db2.gz OSACIALCWODUMQ-UHFFFAOYSA-N -1 0 328.441 2.981 20 30 EFEDRM CC#CCCNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000542606458 478665448 /nfs/dbraw/zinc/66/54/48/478665448.db2.gz COFBANXXUAXQAF-UHFFFAOYSA-N -1 0 332.454 2.787 20 30 EFEDRM CC(=NN=c1ccc(C(F)(F)F)n[n-]1)[C@H](C)NC(=O)OC(C)(C)C ZINC000496561873 478670286 /nfs/dbraw/zinc/67/02/86/478670286.db2.gz KHYOKFDZWZHWPF-QMMMGPOBSA-N -1 0 347.341 2.618 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000564023506 478682275 /nfs/dbraw/zinc/68/22/75/478682275.db2.gz QNQRRHKMMLVDRM-LLVKDONJSA-N -1 0 338.212 2.615 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OC1CCCC1 ZINC000496682413 478682973 /nfs/dbraw/zinc/68/29/73/478682973.db2.gz SWCXTPMWKNUCRP-CYBMUJFWSA-N -1 0 325.409 2.564 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](C=NN=c1ccc(Cl)n[n-]1)CC1CC1 ZINC000496757425 478690781 /nfs/dbraw/zinc/69/07/81/478690781.db2.gz JXIGHNDCKIKIEP-LLVKDONJSA-N -1 0 339.827 2.643 20 30 EFEDRM CN(CCCC=NN=c1ccc(Cl)n[n-]1)C(=O)OC(C)(C)C ZINC000496772337 478692566 /nfs/dbraw/zinc/69/25/66/478692566.db2.gz FGIBKEULVAPUHI-UHFFFAOYSA-N -1 0 327.816 2.597 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000564177588 478702948 /nfs/dbraw/zinc/70/29/48/478702948.db2.gz GCJPRGZHMAYPEJ-LLVKDONJSA-N -1 0 335.385 2.622 20 30 EFEDRM C=CCN=c1[n-]nc(SCCCNC(=O)OC(C)(C)C)s1 ZINC000496965419 478713837 /nfs/dbraw/zinc/71/38/37/478713837.db2.gz WPXRBIZXUSIBOS-UHFFFAOYSA-N -1 0 330.479 2.565 20 30 EFEDRM CC[C@H](NN=C1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000497175049 478735557 /nfs/dbraw/zinc/73/55/57/478735557.db2.gz CQMKWJSMAAJJIW-UONOGXRCSA-N -1 0 347.415 2.813 20 30 EFEDRM Cc1nc(-c2ccc(NC(=O)NCC3(CC#N)CC3)cc2)cc(=O)[nH]1 ZINC000583061173 478751726 /nfs/dbraw/zinc/75/17/26/478751726.db2.gz PDTMRWMUDKKKAL-UHFFFAOYSA-N -1 0 337.383 2.973 20 30 EFEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1nccs1 ZINC000564701845 478788212 /nfs/dbraw/zinc/78/82/12/478788212.db2.gz YTZJFECJKSHEAR-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NCC2(C(=O)[O-])CCC2)cc1OC ZINC000492121837 478834222 /nfs/dbraw/zinc/83/42/22/478834222.db2.gz YWDNMHQQLAMOPJ-VURMDHGXSA-N -1 0 345.395 2.644 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC2(CC(=O)[O-])CCC2)cc1OC ZINC000492159341 478852803 /nfs/dbraw/zinc/85/28/03/478852803.db2.gz YLIUAOCXOYRTID-SOFGYWHQSA-N -1 0 345.395 2.787 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1)C(C)C ZINC000592384371 478877044 /nfs/dbraw/zinc/87/70/44/478877044.db2.gz XBLKRFRVRROKNX-HNNXBMFYSA-N -1 0 333.413 2.519 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3ncccc3C(=O)[O-])CC2)c(F)c1 ZINC000592421962 478890316 /nfs/dbraw/zinc/89/03/16/478890316.db2.gz YCHJLJRLMCLWSI-UHFFFAOYSA-N -1 0 341.342 2.838 20 30 EFEDRM N#Cc1c(C#N)c2c(nc1N[C@H]1CC[C@@H](C(=O)[O-])C1)CCCCCC2 ZINC000592420853 478890632 /nfs/dbraw/zinc/89/06/32/478890632.db2.gz JDFOLYNLTQKTDY-OLZOCXBDSA-N -1 0 338.411 2.571 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000545293796 478918740 /nfs/dbraw/zinc/91/87/40/478918740.db2.gz GNXGHTYEYGWUTQ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CC(C)COc1ccc(C2(C(=O)N=c3[nH][n-]cc3C#N)CCC2)cc1 ZINC000601641024 478922226 /nfs/dbraw/zinc/92/22/26/478922226.db2.gz LQBHHFVDMGEDIG-UHFFFAOYSA-N -1 0 338.411 2.798 20 30 EFEDRM CC[C@H](Cc1cccc(Br)c1)C(=O)N=c1[nH][n-]cc1C#N ZINC000601641965 478922684 /nfs/dbraw/zinc/92/26/84/478922684.db2.gz URWHOAKJSXWBDH-LLVKDONJSA-N -1 0 347.216 2.673 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000492326038 478932902 /nfs/dbraw/zinc/93/29/02/478932902.db2.gz WIICIJAJNYZBON-NTMALXAHSA-N -1 0 335.356 2.731 20 30 EFEDRM C=C(C)[C@H](NC(=O)N=c1nc2n([n-]1)CCCC2)c1ccc(F)c(F)c1 ZINC000583796164 478942513 /nfs/dbraw/zinc/94/25/13/478942513.db2.gz TWJMGECOQGBFRI-HNNXBMFYSA-N -1 0 347.369 2.753 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CCC)C(=O)[O-])cc1OC ZINC000492363886 478950893 /nfs/dbraw/zinc/95/08/93/478950893.db2.gz CBAUXXFKVYLSKU-QQBNSCQMSA-N -1 0 333.384 2.643 20 30 EFEDRM Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[n-]n1C ZINC000592651820 478984061 /nfs/dbraw/zinc/98/40/61/478984061.db2.gz VSSTXKTZLXPHEI-NWDGAFQWSA-N -1 0 348.328 2.783 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2cnc(C)s2)cc1C#N ZINC000601771668 478993437 /nfs/dbraw/zinc/99/34/37/478993437.db2.gz KACCBHJTCVJBHK-SSDOTTSWSA-N -1 0 334.426 2.637 20 30 EFEDRM COc1cccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1OC(C)C ZINC000598735996 478997031 /nfs/dbraw/zinc/99/70/31/478997031.db2.gz VNRSCKZASVXTOS-UHFFFAOYSA-N -1 0 340.383 2.629 20 30 EFEDRM CC1CC(C#N)(C(=O)N=c2nc(Cc3ccc(F)cc3F)[n-]s2)C1 ZINC000546046493 479002740 /nfs/dbraw/zinc/00/27/40/479002740.db2.gz KVLHKAQVFDHYAI-UHFFFAOYSA-N -1 0 348.378 2.707 20 30 EFEDRM COCCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000528965063 479002974 /nfs/dbraw/zinc/00/29/74/479002974.db2.gz BMNRUXDJJPHMNS-CYBMUJFWSA-N -1 0 332.429 2.990 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000492571575 479008148 /nfs/dbraw/zinc/00/81/48/479008148.db2.gz ZKGUQRGKXGYPPT-SOIVGHGOSA-N -1 0 345.395 2.596 20 30 EFEDRM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)o1 ZINC000492577611 479008346 /nfs/dbraw/zinc/00/83/46/479008346.db2.gz VBACMKZNGIOHAU-FAQJLRJSSA-N -1 0 348.424 2.556 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CC2CC2)C(=O)[O-])cc1OC ZINC000492799948 479019500 /nfs/dbraw/zinc/01/95/00/479019500.db2.gz NSJXSJORBAZJRU-SOIVGHGOSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000493003111 479030060 /nfs/dbraw/zinc/03/00/60/479030060.db2.gz GSKVOPKXQUFXIF-VMPITWQZSA-N -1 0 325.817 2.908 20 30 EFEDRM COc1ccc([C@@H]2C[C@H]2C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1 ZINC000598817083 479036704 /nfs/dbraw/zinc/03/67/04/479036704.db2.gz HMEVJLJWWILNFT-JKSUJKDBSA-N -1 0 338.411 2.682 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(C=NN=c2ccc(Cl)n[n-]2)CC1 ZINC000493179582 479038178 /nfs/dbraw/zinc/03/81/78/479038178.db2.gz YPAJHIYABSGPQR-UHFFFAOYSA-N -1 0 339.827 2.597 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000493237963 479040893 /nfs/dbraw/zinc/04/08/93/479040893.db2.gz JSEYOPKBDGHFMV-FPLPWBNLSA-N -1 0 342.420 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cc(C)ccc2OC)CC1 ZINC000493232104 479041119 /nfs/dbraw/zinc/04/11/19/479041119.db2.gz WRIHKEFTSABASJ-SOFGYWHQSA-N -1 0 335.425 2.572 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000493241313 479041323 /nfs/dbraw/zinc/04/13/23/479041323.db2.gz QZWJZLZXXLZNCX-AZHOBDGFSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000493489794 479052428 /nfs/dbraw/zinc/05/24/28/479052428.db2.gz OPZPFFUDHKAUKU-HKBVPSITSA-N -1 0 345.395 2.737 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000514716228 479052831 /nfs/dbraw/zinc/05/28/31/479052831.db2.gz IVUSVOMLKSFSSO-OIISXLGYSA-N -1 0 346.427 2.710 20 30 EFEDRM C[C@@H]1CC[C@](C)(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)C1(C)C ZINC000493555864 479056285 /nfs/dbraw/zinc/05/62/85/479056285.db2.gz MWRUIAPPSZYWKC-LSCCZHGCSA-N -1 0 326.462 2.755 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1 ZINC000546707803 479059737 /nfs/dbraw/zinc/05/97/37/479059737.db2.gz WOCZLTZHFICXQE-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)cc1 ZINC000546707061 479060351 /nfs/dbraw/zinc/06/03/51/479060351.db2.gz FEBXVGJLMLVNFD-UHFFFAOYSA-N -1 0 346.408 2.557 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(=O)[nH]c(C4CC4)c3)nc1-2 ZINC000546738446 479065985 /nfs/dbraw/zinc/06/59/85/479065985.db2.gz VLNTUIYSVOARKR-LBPRGKRZSA-N -1 0 333.351 2.734 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2c(F)cccc2F)CC1 ZINC000493587472 479068559 /nfs/dbraw/zinc/06/85/59/479068559.db2.gz QDZVOIUQUCKYNF-VOTSOKGWSA-N -1 0 327.352 2.533 20 30 EFEDRM N#CC[C@@]1(O)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000592847035 479071304 /nfs/dbraw/zinc/07/13/04/479071304.db2.gz HXZJBVKLRWEGFA-QGZVFWFLSA-N -1 0 330.771 2.689 20 30 EFEDRM CCc1cc(-n2[n-]c(C)c(CCC#N)c2=O)nc(-c2ccccn2)n1 ZINC000601940240 479084025 /nfs/dbraw/zinc/08/40/25/479084025.db2.gz QGYKCCTZACFCME-CQSZACIVSA-N -1 0 334.383 2.743 20 30 EFEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H]1C(=O)[O-] ZINC000595971206 479084778 /nfs/dbraw/zinc/08/47/78/479084778.db2.gz BXTNZAGNUWVKHH-GMSGAONNSA-N -1 0 335.285 2.681 20 30 EFEDRM Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CCC#N ZINC000601946187 479085874 /nfs/dbraw/zinc/08/58/74/479085874.db2.gz OAVWAMZUIYLKDQ-DOMZBBRYSA-N -1 0 327.384 2.874 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1ccc(C(F)(F)F)cn1 ZINC000566539849 479092862 /nfs/dbraw/zinc/09/28/62/479092862.db2.gz DATAQAOPQYJEQZ-SNVBAGLBSA-N -1 0 336.273 2.569 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21 ZINC000566563089 479093834 /nfs/dbraw/zinc/09/38/34/479093834.db2.gz APMRRHIPAGEUFD-MNOVXSKESA-N -1 0 333.413 2.574 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cn1CC1CC1 ZINC000596020302 479098032 /nfs/dbraw/zinc/09/80/32/479098032.db2.gz ICFMDHABCVUOSG-UHFFFAOYSA-N -1 0 344.440 2.722 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601964064 479098665 /nfs/dbraw/zinc/09/86/65/479098665.db2.gz XBZHIBCQGZYJFO-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM C=C(C)CS(=O)(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000566912226 479099111 /nfs/dbraw/zinc/09/91/11/479099111.db2.gz BGKQPXDLIKBHTK-INIZCTEOSA-N -1 0 347.436 2.579 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000567114113 479102211 /nfs/dbraw/zinc/10/22/11/479102211.db2.gz CKTYAVRYYOGKRL-UHFFFAOYSA-N -1 0 343.355 2.841 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cncc(OC(C)C)c1 ZINC000601976582 479104420 /nfs/dbraw/zinc/10/44/20/479104420.db2.gz GQZVSZDFXMGUMG-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=C(C)Cn1c(-c2scnc2C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000584350487 479105857 /nfs/dbraw/zinc/10/58/57/479105857.db2.gz LYPGUQFYCLDCRU-UHFFFAOYSA-N -1 0 329.433 2.792 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601977681 479106381 /nfs/dbraw/zinc/10/63/81/479106381.db2.gz PDVDPDTWYXPQHK-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000567560979 479109703 /nfs/dbraw/zinc/10/97/03/479109703.db2.gz NZYYOAUVWFSUQD-UHFFFAOYSA-N -1 0 341.433 2.976 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000567661666 479112087 /nfs/dbraw/zinc/11/20/87/479112087.db2.gz PQHVZEUKSJSQMO-CYBMUJFWSA-N -1 0 332.477 2.938 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2nc(Sc3ccccc3)[n-]s2)C1 ZINC000567737334 479113939 /nfs/dbraw/zinc/11/39/39/479113939.db2.gz UBMNGIDXBBYYCK-WDEREUQCSA-N -1 0 345.453 2.925 20 30 EFEDRM C=CCCS(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1C ZINC000548242342 479123859 /nfs/dbraw/zinc/12/38/59/479123859.db2.gz YFPCNCDCKINOOW-UHFFFAOYSA-N -1 0 325.430 2.568 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)nn1CCC#N ZINC000568411355 479124996 /nfs/dbraw/zinc/12/49/96/479124996.db2.gz OGYXVCQNKQKTCT-UHFFFAOYSA-N -1 0 338.820 2.701 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CCCC2)cc1 ZINC000568398026 479125140 /nfs/dbraw/zinc/12/51/40/479125140.db2.gz LBXQYBPHUHYWGW-UHFFFAOYSA-N -1 0 331.372 2.578 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548565109 479126840 /nfs/dbraw/zinc/12/68/40/479126840.db2.gz SNNPDLPQXXNQQC-UHFFFAOYSA-N -1 0 345.829 2.816 20 30 EFEDRM C=CCSCCNC(=O)C[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000602001699 479128554 /nfs/dbraw/zinc/12/85/54/479128554.db2.gz CSYXKLMSTHEMOG-GOSISDBHSA-N -1 0 333.453 2.771 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000568726650 479129472 /nfs/dbraw/zinc/12/94/72/479129472.db2.gz SLDHROHGGGYBPK-OAHLLOKOSA-N -1 0 338.448 2.835 20 30 EFEDRM Cc1cccc(O)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000599056209 479140944 /nfs/dbraw/zinc/14/09/44/479140944.db2.gz SVEBRXVGPGIQBE-UHFFFAOYSA-N -1 0 339.370 2.674 20 30 EFEDRM N#CC(=C([O-])c1cn(CC2CC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000569559558 479144386 /nfs/dbraw/zinc/14/43/86/479144386.db2.gz STZBDYJFDDARMY-LLVKDONJSA-N -1 0 335.289 2.592 20 30 EFEDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000555456597 479164960 /nfs/dbraw/zinc/16/49/60/479164960.db2.gz FEJMFCPEUSHCEL-UONOGXRCSA-N -1 0 344.477 2.659 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000555629507 479165736 /nfs/dbraw/zinc/16/57/36/479165736.db2.gz GWGJXIGLNKHWPS-GFCCVEGCSA-N -1 0 345.848 2.911 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCO[C@H](C(CC)CC)C1)C(=O)[O-] ZINC000573897330 479167463 /nfs/dbraw/zinc/16/74/63/479167463.db2.gz ASIHEXXOIKRTGB-KKUMJFAQSA-N -1 0 326.437 2.689 20 30 EFEDRM CCn1nncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000556700738 479177369 /nfs/dbraw/zinc/17/73/69/479177369.db2.gz DCCCNQYBVNWADT-SECBINFHSA-N -1 0 330.298 2.533 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000569978210 479221449 /nfs/dbraw/zinc/22/14/49/479221449.db2.gz ZUULXDVMOFSYHZ-QMMMGPOBSA-N -1 0 337.319 2.647 20 30 EFEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593209615 479241900 /nfs/dbraw/zinc/24/19/00/479241900.db2.gz DLXVZZWRKCAKTI-UHFFFAOYSA-N -1 0 342.392 2.684 20 30 EFEDRM Cc1n[nH]c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC000610989487 479253142 /nfs/dbraw/zinc/25/31/42/479253142.db2.gz OXZGXDKDJVAQAW-SECBINFHSA-N -1 0 325.155 2.725 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000603162631 479285060 /nfs/dbraw/zinc/28/50/60/479285060.db2.gz FKLXOYZXZKPITE-MFKMUULPSA-N -1 0 343.412 2.566 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)o1 ZINC000599417945 479290877 /nfs/dbraw/zinc/29/08/77/479290877.db2.gz SAQRWROYHMGVCX-ZDUSSCGKSA-N -1 0 340.351 2.696 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)c1 ZINC000585722737 479315996 /nfs/dbraw/zinc/31/59/96/479315996.db2.gz PMTVBFOAIJUNMA-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000611226518 479316570 /nfs/dbraw/zinc/31/65/70/479316570.db2.gz LJZDMWMYKSXIOK-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000585729690 479318086 /nfs/dbraw/zinc/31/80/86/479318086.db2.gz CIMTYGISTHXYNA-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C=CCn1c([C@H]2Cc3ccccc3O2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000574945422 479376324 /nfs/dbraw/zinc/37/63/24/479376324.db2.gz HXQRFZSKQGRTAN-OAHLLOKOSA-N -1 0 336.399 2.646 20 30 EFEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000611444226 479382410 /nfs/dbraw/zinc/38/24/10/479382410.db2.gz HDROBZRUIACVTQ-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000611462663 479385875 /nfs/dbraw/zinc/38/58/75/479385875.db2.gz IVGDWQWFMKSCGC-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)[n-]1 ZINC000611503764 479398858 /nfs/dbraw/zinc/39/88/58/479398858.db2.gz IKDHXSYRRGNGRS-ZDUSSCGKSA-N -1 0 341.390 2.654 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000575075263 479399614 /nfs/dbraw/zinc/39/96/14/479399614.db2.gz QOBCIENODHQDMO-LLVKDONJSA-N -1 0 333.171 2.771 20 30 EFEDRM CCc1ccc([C@@H]2CCCN(C(=O)N=c3[n-]n(C)cc3C#N)C2)cc1 ZINC000588259667 479411651 /nfs/dbraw/zinc/41/16/51/479411651.db2.gz CTNVVXHWQFFQHC-MRXNPFEDSA-N -1 0 337.427 2.688 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)[n-]1 ZINC000611596552 479428139 /nfs/dbraw/zinc/42/81/39/479428139.db2.gz YUAFSCJZWOVJAJ-UHFFFAOYSA-N -1 0 337.427 2.601 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000593699160 479428321 /nfs/dbraw/zinc/42/83/21/479428321.db2.gz ZLGNEUPUPCXIBD-SFHVURJKSA-N -1 0 331.416 2.658 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000603835280 479434743 /nfs/dbraw/zinc/43/47/43/479434743.db2.gz IFNFPOOXTJRZFJ-VIFPVBQESA-N -1 0 331.309 2.579 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(Oc3nccs3)c2)c1C#N ZINC000588716031 479435125 /nfs/dbraw/zinc/43/51/25/479435125.db2.gz IPYIQJRVPCZYBX-UHFFFAOYSA-N -1 0 325.353 2.513 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1[nH]c2ccccc2c1Cl ZINC000588767483 479439618 /nfs/dbraw/zinc/43/96/18/479439618.db2.gz FJMOLYQUUZSUTO-UHFFFAOYSA-N -1 0 325.759 2.968 20 30 EFEDRM CC(C)(C#N)CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000611688466 479446035 /nfs/dbraw/zinc/44/60/35/479446035.db2.gz OCYNYUCWLSYTDL-UHFFFAOYSA-N -1 0 348.200 2.570 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)o1 ZINC000588847113 479448343 /nfs/dbraw/zinc/44/83/43/479448343.db2.gz LAWPORUXTQSRNS-UHFFFAOYSA-N -1 0 348.771 2.996 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000588944387 479462220 /nfs/dbraw/zinc/46/22/20/479462220.db2.gz ZVFFSWVSTVPMCQ-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM Cc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1-c1ccc(C)cc1 ZINC000575776875 479473570 /nfs/dbraw/zinc/47/35/70/479473570.db2.gz DHBQIBQWMJVMQW-UHFFFAOYSA-N -1 0 346.394 2.636 20 30 EFEDRM N#CCCN(CCC#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000596894599 479475478 /nfs/dbraw/zinc/47/54/78/479475478.db2.gz ORXRJCVODSLPJD-UHFFFAOYSA-N -1 0 343.774 2.501 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC3(CC3(F)F)CC2)cc1C#N ZINC000593828604 479477182 /nfs/dbraw/zinc/47/71/82/479477182.db2.gz MYQHZHYXGNWFSC-UHFFFAOYSA-N -1 0 339.367 2.642 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1ccc2sc(C(=O)[O-])cc2c1 ZINC000575920010 479502755 /nfs/dbraw/zinc/50/27/55/479502755.db2.gz HEVGYCBEOTZJKJ-UHFFFAOYSA-N -1 0 337.422 2.939 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)n1 ZINC000604432753 479518615 /nfs/dbraw/zinc/51/86/15/479518615.db2.gz ILJOYVTYDAXEOR-VIFPVBQESA-N -1 0 346.412 2.830 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593952166 479518689 /nfs/dbraw/zinc/51/86/89/479518689.db2.gz OTSXHVYIZQEHPH-WCFLWFBJSA-N -1 0 345.399 2.824 20 30 EFEDRM CC(C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC000593952176 479518709 /nfs/dbraw/zinc/51/87/09/479518709.db2.gz OZBCWFQBRNRKQI-SNVBAGLBSA-N -1 0 341.314 2.638 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000593970712 479526216 /nfs/dbraw/zinc/52/62/16/479526216.db2.gz YDKDCPYPZNWOHP-NSHDSACASA-N -1 0 328.441 2.946 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1[N+](=O)[O-] ZINC000589587593 479541992 /nfs/dbraw/zinc/54/19/92/479541992.db2.gz GUDOUQDBUQOOTH-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000589592154 479542064 /nfs/dbraw/zinc/54/20/64/479542064.db2.gz PURCGIOWPMVTHT-UHFFFAOYSA-N -1 0 328.397 2.529 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]c1C(F)(F)F ZINC000589587353 479542173 /nfs/dbraw/zinc/54/21/73/479542173.db2.gz DHGVDVMKOHVPQS-UHFFFAOYSA-N -1 0 344.318 2.604 20 30 EFEDRM CN1Cc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)c2C1 ZINC000589977414 479588416 /nfs/dbraw/zinc/58/84/16/479588416.db2.gz CGQWIZUTGYAPAH-UHFFFAOYSA-N -1 0 347.827 2.958 20 30 EFEDRM N#CCc1ccc(CS(=O)(=O)c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000577703266 479595103 /nfs/dbraw/zinc/59/51/03/479595103.db2.gz PFBUEYBYFJGCLU-UHFFFAOYSA-N -1 0 338.392 2.512 20 30 EFEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605362899 479637346 /nfs/dbraw/zinc/63/73/46/479637346.db2.gz YLBGZLSXOYZSDZ-GFCCVEGCSA-N -1 0 330.351 2.713 20 30 EFEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000579066827 479654158 /nfs/dbraw/zinc/65/41/58/479654158.db2.gz FIFVYCCTJWXMGX-GFCCVEGCSA-N -1 0 327.388 2.914 20 30 EFEDRM C=CCC1(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CCOCC1 ZINC000621580251 479707194 /nfs/dbraw/zinc/70/71/94/479707194.db2.gz SULKZHMPFLWBOL-UHFFFAOYSA-N -1 0 329.396 2.642 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@](F)(C#N)C3)n2)cc1 ZINC000615826393 479762875 /nfs/dbraw/zinc/76/28/75/479762875.db2.gz ZZNCBGUMEVPPLT-SFHVURJKSA-N -1 0 342.374 2.779 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000619463550 479801184 /nfs/dbraw/zinc/80/11/84/479801184.db2.gz RUIRBXLOUAVRRB-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cnn1CC(C)C ZINC000619463491 479801361 /nfs/dbraw/zinc/80/13/61/479801361.db2.gz IRCWGGWEUPKYLD-UHFFFAOYSA-N -1 0 346.456 2.968 20 30 EFEDRM Cc1cccc(NS(=O)(=O)c2cccc(CC#N)c2)c1C(=O)[O-] ZINC000619462908 479801503 /nfs/dbraw/zinc/80/15/03/479801503.db2.gz AUAURBABRJGNGT-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[n-]1 ZINC000619536901 479822463 /nfs/dbraw/zinc/82/24/63/479822463.db2.gz CIDUNCGYOBPKCO-DLBZAZTESA-N -1 0 331.379 2.544 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000619569680 479831034 /nfs/dbraw/zinc/83/10/34/479831034.db2.gz RQCSGYRAABZCIX-UHFFFAOYSA-N -1 0 336.442 2.603 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1O ZINC000612997778 479832889 /nfs/dbraw/zinc/83/28/89/479832889.db2.gz CNQAKVGUWFXHSK-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)c1cccc(C#N)c1 ZINC000610318485 480279891 /nfs/dbraw/zinc/27/98/91/480279891.db2.gz XROOPDRLWCQHGJ-ZETCQYMHSA-N -1 0 341.318 2.733 20 30 EFEDRM C[C@@H](NC(=O)N=c1ncn(Cc2ccccc2)[n-]1)c1cccc(C#N)c1 ZINC000610322808 480280643 /nfs/dbraw/zinc/28/06/43/480280643.db2.gz HOYIRKPQQOFPTB-CQSZACIVSA-N -1 0 346.394 2.503 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[n-]1 ZINC000610561520 480337611 /nfs/dbraw/zinc/33/76/11/480337611.db2.gz LXPAPRVBFPZMPT-INIZCTEOSA-N -1 0 341.390 2.906 20 30 EFEDRM CC(C)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610565243 480338086 /nfs/dbraw/zinc/33/80/86/480338086.db2.gz REYPMBYHRMSXPI-CQSZACIVSA-N -1 0 331.807 2.886 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000610562492 480338096 /nfs/dbraw/zinc/33/80/96/480338096.db2.gz VVTJMGIOZACPMW-SECBINFHSA-N -1 0 337.305 2.615 20 30 EFEDRM CCOc1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610563732 480338627 /nfs/dbraw/zinc/33/86/27/480338627.db2.gz FMXPYCSXYFSGMJ-UHFFFAOYSA-N -1 0 341.415 2.555 20 30 EFEDRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562529 480338710 /nfs/dbraw/zinc/33/87/10/480338710.db2.gz WUVTUOAFYGIZKF-UHFFFAOYSA-N -1 0 338.198 2.684 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)[n-]1 ZINC000610718309 480372790 /nfs/dbraw/zinc/37/27/90/480372790.db2.gz OHNJMBPDBKWBFH-CQSZACIVSA-N -1 0 347.369 2.901 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000635515434 480434791 /nfs/dbraw/zinc/43/47/91/480434791.db2.gz RVPRNAAJSBNKKV-LPHOPBHVSA-N -1 0 346.427 2.827 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000626762397 480521280 /nfs/dbraw/zinc/52/12/80/480521280.db2.gz WKAIPHWZMYLARN-CZUORRHYSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000630182649 480596126 /nfs/dbraw/zinc/59/61/26/480596126.db2.gz OUOFINJXJKJNLN-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC000630186472 480597943 /nfs/dbraw/zinc/59/79/43/480597943.db2.gz RZIZPEDJRQIUAE-GJZGRUSLSA-N -1 0 339.819 2.996 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630302676 480662244 /nfs/dbraw/zinc/66/22/44/480662244.db2.gz HAXZPGYEPZUEJY-WWGRRREGSA-N -1 0 349.452 2.963 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)[O-] ZINC000630319706 480668963 /nfs/dbraw/zinc/66/89/63/480668963.db2.gz GGUMIIQKGVONKV-INIZCTEOSA-N -1 0 328.368 2.701 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2nccs2)c1C)C(=O)[O-] ZINC000630319395 480669061 /nfs/dbraw/zinc/66/90/61/480669061.db2.gz ZOVPYIIQORQJIN-ZDUSSCGKSA-N -1 0 333.413 2.700 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)[O-] ZINC000630319707 480669076 /nfs/dbraw/zinc/66/90/76/480669076.db2.gz GGUMIIQKGVONKV-MRXNPFEDSA-N -1 0 328.368 2.701 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1c(C)nc([C@H](C)CC)nc1C)C(=O)[O-] ZINC000630320726 480669898 /nfs/dbraw/zinc/66/98/98/480669898.db2.gz AQRWQRPNTXFQHO-IAQYHMDHSA-N -1 0 333.432 2.685 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000630319861 480670031 /nfs/dbraw/zinc/67/00/31/480670031.db2.gz JDDCDQAYVKQBJI-OAHLLOKOSA-N -1 0 335.400 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC000630322466 480670655 /nfs/dbraw/zinc/67/06/55/480670655.db2.gz TYTKNQKTECYCBX-SECBINFHSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322159 480670982 /nfs/dbraw/zinc/67/09/82/480670982.db2.gz QCYGBJRWWAIDIH-GDBMZVCRSA-N -1 0 334.416 2.606 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000630324629 480671629 /nfs/dbraw/zinc/67/16/29/480671629.db2.gz GBFHXEOHPKLMAA-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000630324626 480671770 /nfs/dbraw/zinc/67/17/70/480671770.db2.gz GBFHXEOHPKLMAA-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000630437623 480712783 /nfs/dbraw/zinc/71/27/83/480712783.db2.gz GEBPMPREEDMRFY-GFCCVEGCSA-N -1 0 341.360 2.578 20 30 EFEDRM C=CCC[C@@H](C(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132540 480816919 /nfs/dbraw/zinc/81/69/19/480816919.db2.gz WCYIPERYGTYANL-MRXNPFEDSA-N -1 0 340.427 2.938 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000659053966 481196651 /nfs/dbraw/zinc/19/66/51/481196651.db2.gz VBBSJGZJZVFKNQ-LBPRGKRZSA-N -1 0 330.413 2.702 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCC1 ZINC000659066837 481198418 /nfs/dbraw/zinc/19/84/18/481198418.db2.gz BRTUKANDKFHZNU-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000642892879 481271132 /nfs/dbraw/zinc/27/11/32/481271132.db2.gz NTEPNXBOPMMWIX-UHFFFAOYSA-N -1 0 344.392 2.852 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC000659236288 481296220 /nfs/dbraw/zinc/29/62/20/481296220.db2.gz SAGLSYZXULAQSC-QAPCUYQASA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000653659038 481391456 /nfs/dbraw/zinc/39/14/56/481391456.db2.gz BBIULAIKPDBEGO-BXKDBHETSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000646726750 481460430 /nfs/dbraw/zinc/46/04/30/481460430.db2.gz LILKSFWJBOUBBR-UHFFFAOYSA-N -1 0 327.315 2.896 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000646776911 481481656 /nfs/dbraw/zinc/48/16/56/481481656.db2.gz XXJXQVNDYVOKQN-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc(OC)c1OC ZINC000663067499 482054766 /nfs/dbraw/zinc/05/47/66/482054766.db2.gz QERUUGGWRXNLOG-IBGZPJMESA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000654800285 482056322 /nfs/dbraw/zinc/05/63/22/482056322.db2.gz NNUDIPYIOCCMOS-UONOGXRCSA-N -1 0 336.363 2.758 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000654800291 482056647 /nfs/dbraw/zinc/05/66/47/482056647.db2.gz NSEGBJNDQSHAPJ-AWEZNQCLSA-N -1 0 334.416 2.691 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000652070930 482059907 /nfs/dbraw/zinc/05/99/07/482059907.db2.gz APXQUQOISIGSPL-GOSISDBHSA-N -1 0 345.439 2.660 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1OC ZINC000652075926 482063420 /nfs/dbraw/zinc/06/34/20/482063420.db2.gz CWMCGUPQQCPWRC-ZDUSSCGKSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(OC)c1)C(=O)[O-] ZINC000649536243 482120963 /nfs/dbraw/zinc/12/09/63/482120963.db2.gz POENYLVXSRAKLA-LLVKDONJSA-N -1 0 342.779 2.898 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663426860 482227396 /nfs/dbraw/zinc/22/73/96/482227396.db2.gz FSBHUDZAJPMBOJ-VXGBXAGGSA-N -1 0 327.402 2.699 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663426859 482227420 /nfs/dbraw/zinc/22/74/20/482227420.db2.gz FSBHUDZAJPMBOJ-RYUDHWBXSA-N -1 0 327.402 2.699 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000262468481 534408467 /nfs/dbraw/zinc/40/84/67/534408467.db2.gz JEZCGXQYQPCNPC-OAHLLOKOSA-N -1 0 349.427 2.909 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc(OC)c1OC ZINC000262524755 534411942 /nfs/dbraw/zinc/41/19/42/534411942.db2.gz NGGDRXBGICSECG-XHDPSFHLSA-N -1 0 335.400 2.661 20 30 EFEDRM C=C(CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000263324815 534430263 /nfs/dbraw/zinc/43/02/63/534430263.db2.gz BATHFPXOUAWAIR-CHWSQXEVSA-N -1 0 342.317 2.604 20 30 EFEDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000058495276 519719506 /nfs/dbraw/zinc/71/95/06/519719506.db2.gz SQZXOOMMUYTCDT-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC000078881398 519744786 /nfs/dbraw/zinc/74/47/86/519744786.db2.gz BKSXVHDKLWWXLM-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000116710021 519763321 /nfs/dbraw/zinc/76/33/21/519763321.db2.gz NHNDEYWJLPKFBB-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000116710050 519763393 /nfs/dbraw/zinc/76/33/93/519763393.db2.gz YVWNPJMMHWEJND-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195446144 519776451 /nfs/dbraw/zinc/77/64/51/519776451.db2.gz RTKUBXGXVDQGSG-UHFFFAOYSA-N -1 0 331.397 2.679 20 30 EFEDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CSCc1ccc(C#N)cc1 ZINC000263160993 519807758 /nfs/dbraw/zinc/80/77/58/519807758.db2.gz ZUIARYBRZLIYML-QGZVFWFLSA-N -1 0 334.441 2.797 20 30 EFEDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000191550232 521471697 /nfs/dbraw/zinc/47/16/97/521471697.db2.gz YRVXCIGRRQEMTQ-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM CCCN(C)S(=O)(=O)[N-]C(=O)CCc1cn(C)c2ccccc12 ZINC000089955536 521501154 /nfs/dbraw/zinc/50/11/54/521501154.db2.gz AVWVXIVORPZVRY-UHFFFAOYSA-N -1 0 337.445 2.654 20 30 EFEDRM C=CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCOCC1 ZINC000425243845 534586109 /nfs/dbraw/zinc/58/61/09/534586109.db2.gz QZTIJRZRVRGIBC-UHFFFAOYSA-N -1 0 329.396 2.642 20 30 EFEDRM CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120569412 521771680 /nfs/dbraw/zinc/77/16/80/521771680.db2.gz BLVVVBHUPFJPOB-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC000422644108 534596981 /nfs/dbraw/zinc/59/69/81/534596981.db2.gz MHUGUKDCOGVOKH-UHFFFAOYSA-N -1 0 348.374 2.715 20 30 EFEDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195445836 522269187 /nfs/dbraw/zinc/26/91/87/522269187.db2.gz RZFGTXODQZROML-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000262886002 534792960 /nfs/dbraw/zinc/79/29/60/534792960.db2.gz LARZURKKTMPWLR-GFCCVEGCSA-N -1 0 331.290 2.777 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)C(=O)[O-] ZINC000262955905 534793422 /nfs/dbraw/zinc/79/34/22/534793422.db2.gz RCLPECZWOKCKQB-QGZVFWFLSA-N -1 0 341.411 2.697 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OC)cc1OCC1CC1)C(=O)[O-] ZINC000262810101 534793592 /nfs/dbraw/zinc/79/35/92/534793592.db2.gz DIBCBJHKLMPCNA-OAHLLOKOSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)[O-] ZINC000262845052 534794533 /nfs/dbraw/zinc/79/45/33/534794533.db2.gz HGRJEFZNDZTOKH-SECBINFHSA-N -1 0 334.319 2.843 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1C#N ZINC000137607385 524806789 /nfs/dbraw/zinc/80/67/89/524806789.db2.gz YQBWTNJHJRZEET-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000263147038 534880087 /nfs/dbraw/zinc/88/00/87/534880087.db2.gz XBIMQIABWGWMSP-HNNXBMFYSA-N -1 0 343.379 2.895 20 30 EFEDRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000075555534 525929497 /nfs/dbraw/zinc/92/94/97/525929497.db2.gz XUNVXLBTZMTVFK-NSHDSACASA-N -1 0 337.383 2.857 20 30 EFEDRM CSc1nc(=NC(=O)N2CCC[C@@H](OCC3CC3)C2)s[n-]1 ZINC000328587703 526229531 /nfs/dbraw/zinc/22/95/31/526229531.db2.gz FMHMMNLMGIXIGP-SNVBAGLBSA-N -1 0 328.463 2.697 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000181332319 526520317 /nfs/dbraw/zinc/52/03/17/526520317.db2.gz LQKSDTDXBCDUMK-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262005091 526630649 /nfs/dbraw/zinc/63/06/49/526630649.db2.gz DYNBSFLPAMRDCV-UHFFFAOYSA-N -1 0 332.425 2.551 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262401026 526631524 /nfs/dbraw/zinc/63/15/24/526631524.db2.gz UZOVUSIBTNNNGC-OAHLLOKOSA-N -1 0 344.436 2.505 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000261721928 526653653 /nfs/dbraw/zinc/65/36/53/526653653.db2.gz QWJFPJHIVBNIQO-UHFFFAOYSA-N -1 0 341.289 2.906 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cn1 ZINC000157855057 526683033 /nfs/dbraw/zinc/68/30/33/526683033.db2.gz QXYFIXXMBSTBMQ-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000020302019 526683553 /nfs/dbraw/zinc/68/35/53/526683553.db2.gz CKFKPICDSYYVIE-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000130316765 526684454 /nfs/dbraw/zinc/68/44/54/526684454.db2.gz QIRSXMDEKFVNHH-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000186703769 526754870 /nfs/dbraw/zinc/75/48/70/526754870.db2.gz LXVQNMRPLGSQAB-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000075555094 526786830 /nfs/dbraw/zinc/78/68/30/526786830.db2.gz GZVZGSGZGVHNKQ-WDEREUQCSA-N -1 0 345.284 2.914 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1 ZINC000096307300 527617473 /nfs/dbraw/zinc/61/74/73/527617473.db2.gz NGPVEANEAHQLPL-TWGQIWQCSA-N -1 0 326.304 2.775 20 30 EFEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1 ZINC000187727039 527869534 /nfs/dbraw/zinc/86/95/34/527869534.db2.gz MWSBCJMFGCLESJ-UHFFFAOYSA-N -1 0 332.429 2.681 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(C)noc2C)cc1 ZINC000048452054 528572836 /nfs/dbraw/zinc/57/28/36/528572836.db2.gz HESNBPHFNNBQKF-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C)o2)C1=O ZINC000298196008 534989914 /nfs/dbraw/zinc/98/99/14/534989914.db2.gz CWRHQDKFVGQKGS-KRWDZBQOSA-N -1 0 335.404 2.904 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000350226720 534996902 /nfs/dbraw/zinc/99/69/02/534996902.db2.gz QHAFEKYUQAOAHY-UHFFFAOYSA-N -1 0 333.442 2.782 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C#N ZINC000417797666 535009812 /nfs/dbraw/zinc/00/98/12/535009812.db2.gz UNCWHQJHQCSSNN-NSHDSACASA-N -1 0 331.372 2.674 20 30 EFEDRM CC(C)(CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000424407219 535033298 /nfs/dbraw/zinc/03/32/98/535033298.db2.gz SATFOVXJIDSXNY-JKSUJKDBSA-N -1 0 343.427 2.969 20 30 EFEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccncn1 ZINC000354474007 535562854 /nfs/dbraw/zinc/56/28/54/535562854.db2.gz WWJPKGARVCBWDA-AWEZNQCLSA-N -1 0 333.351 2.551 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2ccncn2)nc2ccccc21 ZINC000354468719 536597210 /nfs/dbraw/zinc/59/72/10/536597210.db2.gz PJHZUROFEBMVJN-AWEZNQCLSA-N -1 0 348.362 2.540 20 30 EFEDRM COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000343781302 536854359 /nfs/dbraw/zinc/85/43/59/536854359.db2.gz AFOYJDXCXDPBHR-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(OC)c1OC ZINC000435338765 536873886 /nfs/dbraw/zinc/87/38/86/536873886.db2.gz JJOCMMNKLMFAHE-POHAHGRESA-N -1 0 341.367 2.536 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000357398457 537103311 /nfs/dbraw/zinc/10/33/11/537103311.db2.gz GPFTZXSOFUELLW-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])C2CCC2)cc(OC)c1OC ZINC000655593515 546496165 /nfs/dbraw/zinc/49/61/65/546496165.db2.gz LJLMQIXKWANXQK-UHFFFAOYSA-N -1 0 333.384 2.512 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000656245666 546742513 /nfs/dbraw/zinc/74/25/13/546742513.db2.gz NDAFTSLVMGSJQQ-PVAVHDDUSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCCn1cc(CNc2cccc(C(=O)[O-])c2OC(C)C)nn1 ZINC000656567080 546845141 /nfs/dbraw/zinc/84/51/41/546845141.db2.gz ZMCYQLPPZIGFJQ-UHFFFAOYSA-N -1 0 330.388 2.952 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000656716472 546899671 /nfs/dbraw/zinc/89/96/71/546899671.db2.gz GHJYQYMEGVIXEI-GOEBONIOSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CCc1cc(C(=O)N(CCC(=O)[O-])C2CC2)cc(OC)c1OC ZINC000675969484 548382987 /nfs/dbraw/zinc/38/29/87/548382987.db2.gz PHTQRASPWXTAPB-UHFFFAOYSA-N -1 0 333.384 2.512 20 30 EFEDRM C=CCCOCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000678980775 549029943 /nfs/dbraw/zinc/02/99/43/549029943.db2.gz ADTSBPOIURQYKG-GOSISDBHSA-N -1 0 341.407 2.792 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C)C(=O)[O-] ZINC000681557811 549566425 /nfs/dbraw/zinc/56/64/25/549566425.db2.gz GPOAOSZOHNRKSI-AWEZNQCLSA-N -1 0 339.457 2.909 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000681558519 549566989 /nfs/dbraw/zinc/56/69/89/549566989.db2.gz RTUQDBLVEZMUIG-INIZCTEOSA-N -1 0 331.393 2.661 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000683301792 549878713 /nfs/dbraw/zinc/87/87/13/549878713.db2.gz JDRSZDTVEZBJJE-UHFFFAOYSA-N -1 0 333.388 2.824 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000684730963 550084317 /nfs/dbraw/zinc/08/43/17/550084317.db2.gz ASGRPUIOKHMGJZ-OAHLLOKOSA-N -1 0 332.400 2.790 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NCC1(CC(C)C)CCCC1)C(=O)[O-] ZINC000684742584 550087749 /nfs/dbraw/zinc/08/77/49/550087749.db2.gz RHQMMJVBLQCKAB-CQSZACIVSA-N -1 0 326.437 2.548 20 30 EFEDRM O=C([O-])c1csc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000755464105 575589192 /nfs/dbraw/zinc/58/91/92/575589192.db2.gz MCJGDUZFITXTBR-UHFFFAOYSA-N -1 0 336.285 2.709 20 30 EFEDRM Cc1cccn2c(C=Nn3c(=O)c4ccccc4[n-]c3=S)cnc12 ZINC000755617192 575608818 /nfs/dbraw/zinc/60/88/18/575608818.db2.gz HUWKRKKDSJBZDS-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM CCc1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c2ccccn12 ZINC000755616666 575608921 /nfs/dbraw/zinc/60/89/21/575608921.db2.gz FTSYTTWHQAXFTH-UHFFFAOYSA-N -1 0 349.419 2.778 20 30 EFEDRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000755643454 575612701 /nfs/dbraw/zinc/61/27/01/575612701.db2.gz LDUNREZAQQFQHB-ZDUSSCGKSA-N -1 0 336.457 2.967 20 30 EFEDRM CNc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc(Cl)n1 ZINC000755705757 575620611 /nfs/dbraw/zinc/62/06/11/575620611.db2.gz CNZDLIHYFMRBTJ-SNVBAGLBSA-N -1 0 340.774 2.847 20 30 EFEDRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000755844583 575644652 /nfs/dbraw/zinc/64/46/52/575644652.db2.gz ICLXVQZAPUEVLH-CYBMUJFWSA-N -1 0 328.478 2.979 20 30 EFEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)cc1 ZINC000756088284 575682299 /nfs/dbraw/zinc/68/22/99/575682299.db2.gz MVCNHLOAOBCJJD-UHFFFAOYSA-N -1 0 348.449 2.937 20 30 EFEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cc1 ZINC000756089472 575682381 /nfs/dbraw/zinc/68/23/81/575682381.db2.gz QYEUIFWQKXUYBT-UHFFFAOYSA-N -1 0 348.449 2.937 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)OCC ZINC000756584468 575765349 /nfs/dbraw/zinc/76/53/49/575765349.db2.gz IIXMZZUGHXXMOK-INIZCTEOSA-N -1 0 339.457 2.986 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)OCC ZINC000756584471 575765715 /nfs/dbraw/zinc/76/57/15/575765715.db2.gz IIXMZZUGHXXMOK-MRXNPFEDSA-N -1 0 339.457 2.986 20 30 EFEDRM CC(CC1CC1)N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000756825166 575789676 /nfs/dbraw/zinc/78/96/76/575789676.db2.gz ABXNZFHVYUZTHD-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000756878759 575795938 /nfs/dbraw/zinc/79/59/38/575795938.db2.gz ILVDEOSSQGSQNI-WDEREUQCSA-N -1 0 333.388 2.752 20 30 EFEDRM CCc1nn(C)c(Cl)c1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000756901117 575798808 /nfs/dbraw/zinc/79/88/08/575798808.db2.gz KSTLMEJGWUBMDL-UHFFFAOYSA-N -1 0 336.779 2.789 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000756905809 575799660 /nfs/dbraw/zinc/79/96/60/575799660.db2.gz LDRCBYJKOKYPQZ-UHFFFAOYSA-N -1 0 340.339 2.811 20 30 EFEDRM CO[C@@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)C(F)(F)F ZINC000756997731 575809373 /nfs/dbraw/zinc/80/93/73/575809373.db2.gz MMNSNCAAPWBSDI-QMMMGPOBSA-N -1 0 333.203 2.750 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3[nH]ccc32)n1 ZINC000757048009 575815262 /nfs/dbraw/zinc/81/52/62/575815262.db2.gz ZAWBZDVYELQWEF-CYBMUJFWSA-N -1 0 339.376 2.966 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757306330 575836577 /nfs/dbraw/zinc/83/65/77/575836577.db2.gz QVBFCJMAYMSBRB-CQSZACIVSA-N -1 0 340.782 2.733 20 30 EFEDRM CC(=O)c1ccccc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000757499404 575840933 /nfs/dbraw/zinc/84/09/33/575840933.db2.gz ZYZSHEYXGQGNQU-CQSZACIVSA-N -1 0 342.376 2.687 20 30 EFEDRM C[C@@H]1CC(=NNc2cnnc([O-])c2Cl)CN1Cc1ccccc1 ZINC000757564777 575842591 /nfs/dbraw/zinc/84/25/91/575842591.db2.gz LYTCWJXUDUKUHE-LLVKDONJSA-N -1 0 331.807 2.898 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000757924674 575855869 /nfs/dbraw/zinc/85/58/69/575855869.db2.gz JSEMKSFRNXGQAI-MRXNPFEDSA-N -1 0 333.347 2.524 20 30 EFEDRM COC(=O)c1ccc(NN=C2CCCc3oc(C(=O)[O-])c(C)c32)nc1 ZINC000758141435 575861062 /nfs/dbraw/zinc/86/10/62/575861062.db2.gz SIDYUBWLCPYMMN-UHFFFAOYSA-N -1 0 343.339 2.620 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1C#N ZINC000758407165 575868962 /nfs/dbraw/zinc/86/89/62/575868962.db2.gz DZMBENBAQKGBCR-UHFFFAOYSA-N -1 0 346.412 2.619 20 30 EFEDRM COc1cc2c(cc1C=NNc1ccc(C(=O)[O-])cc1OC)OCO2 ZINC000758880512 575879357 /nfs/dbraw/zinc/87/93/57/575879357.db2.gz VBIBSYJPPQPOAH-UHFFFAOYSA-N -1 0 344.323 2.577 20 30 EFEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)cc1 ZINC000759121144 575884978 /nfs/dbraw/zinc/88/49/78/575884978.db2.gz KSKWAJWKAOHBCS-DHZHZOJOSA-N -1 0 349.346 2.627 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000759229736 575887382 /nfs/dbraw/zinc/88/73/82/575887382.db2.gz BLRFAQBCAMCYIR-TVQRCGJNSA-N -1 0 330.384 2.746 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759233883 575887407 /nfs/dbraw/zinc/88/74/07/575887407.db2.gz BXXNJGCJGTWQCK-CHWSQXEVSA-N -1 0 342.395 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759233884 575887410 /nfs/dbraw/zinc/88/74/10/575887410.db2.gz BXXNJGCJGTWQCK-OLZOCXBDSA-N -1 0 342.395 2.890 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1 ZINC000759270931 575888204 /nfs/dbraw/zinc/88/82/04/575888204.db2.gz CYJZSJPQMOVIDP-FJOGCWAESA-N -1 0 327.365 2.604 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759430841 575891537 /nfs/dbraw/zinc/89/15/37/575891537.db2.gz GJLDFUZUDOUUDQ-MRVPVSSYSA-N -1 0 334.244 2.831 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000759713046 575924609 /nfs/dbraw/zinc/92/46/09/575924609.db2.gz FCZNQNOELFGOGF-KRWDZBQOSA-N -1 0 349.390 2.897 20 30 EFEDRM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713569 575924939 /nfs/dbraw/zinc/92/49/39/575924939.db2.gz OECKUWPXWAYUHO-GFCCVEGCSA-N -1 0 333.347 2.718 20 30 EFEDRM CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC000760019027 575972385 /nfs/dbraw/zinc/97/23/85/575972385.db2.gz LNELXAFRZCQTEK-UHFFFAOYSA-N -1 0 331.372 2.507 20 30 EFEDRM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000760347567 576009049 /nfs/dbraw/zinc/00/90/49/576009049.db2.gz WMPFWAIFIHGACY-LBPRGKRZSA-N -1 0 342.355 2.584 20 30 EFEDRM COc1ccc(C(=O)C(=O)Nc2cc(C#N)ccc2[O-])cc1Cl ZINC000760923195 576088463 /nfs/dbraw/zinc/08/84/63/576088463.db2.gz LXYSIEPWEYCEGZ-UHFFFAOYSA-N -1 0 330.727 2.747 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3sccc3c2)c1 ZINC000761003323 576099715 /nfs/dbraw/zinc/09/97/15/576099715.db2.gz SDKLFXTZVWRWEW-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1 ZINC000761028663 576102429 /nfs/dbraw/zinc/10/24/29/576102429.db2.gz ZICOGMQAXUJINJ-CQSZACIVSA-N -1 0 330.409 2.767 20 30 EFEDRM COC(=O)[C@@H](CC(F)F)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761180027 576126130 /nfs/dbraw/zinc/12/61/30/576126130.db2.gz GYSGEKSUMJMFHK-BOCQLUCNSA-N -1 0 336.678 2.570 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000761288344 576140825 /nfs/dbraw/zinc/14/08/25/576140825.db2.gz BAIQSAFKGXCCET-MRXNPFEDSA-N -1 0 347.367 2.567 20 30 EFEDRM CCO[C@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000761413427 576156330 /nfs/dbraw/zinc/15/63/30/576156330.db2.gz QIMBDIVVSHQJLR-GXTWGEPZSA-N -1 0 338.429 2.622 20 30 EFEDRM N#Cc1c(F)ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1Cl ZINC000761478208 576168184 /nfs/dbraw/zinc/16/81/84/576168184.db2.gz RDLSTEHKNHOCJN-XYOKQWHBSA-N -1 0 341.729 2.812 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761831581 576216528 /nfs/dbraw/zinc/21/65/28/576216528.db2.gz RNNXTCDCZSMRRW-UHFFFAOYSA-N -1 0 332.726 2.606 20 30 EFEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C#N)s2)c1 ZINC000761841957 576218335 /nfs/dbraw/zinc/21/83/35/576218335.db2.gz MHJSGAFJIOBKTM-UHFFFAOYSA-N -1 0 341.801 2.672 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC2CCSCC2)n1 ZINC000762003159 576241500 /nfs/dbraw/zinc/24/15/00/576241500.db2.gz GQOHDIBVHMIUBU-GFCCVEGCSA-N -1 0 338.454 2.704 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)COc1ccccc1Cc1ccccc1 ZINC000762050177 576249477 /nfs/dbraw/zinc/24/94/77/576249477.db2.gz LARQNWUNCUCQIU-UHFFFAOYSA-N -1 0 339.391 2.755 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)c(OCCC)c(OC)c1 ZINC000762050459 576249572 /nfs/dbraw/zinc/24/95/72/576249572.db2.gz NYZYAIPIYGEBMR-UHFFFAOYSA-N -1 0 341.791 2.850 20 30 EFEDRM COc1cccc([C@H](C#N)NC(=O)c2cc(F)c([O-])c(F)c2)c1OC ZINC000762598625 576316459 /nfs/dbraw/zinc/31/64/59/576316459.db2.gz RVCRJTXYDYAYSL-ZDUSSCGKSA-N -1 0 348.305 2.682 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2c3cc(C)cc(C)c3NC2=O)n1 ZINC000762616725 576318434 /nfs/dbraw/zinc/31/84/34/576318434.db2.gz GTUGWEYPMDIVJZ-UHFFFAOYSA-N -1 0 338.415 2.708 20 30 EFEDRM COc1cc(C(C)=NNc2ccccc2C(=O)[O-])c(OC)cc1O ZINC000763153686 576364690 /nfs/dbraw/zinc/36/46/90/576364690.db2.gz CNXZUDISJTWBDA-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763367579 576374399 /nfs/dbraw/zinc/37/43/99/576374399.db2.gz CDLYYEUJVAXNPY-UHFFFAOYSA-N -1 0 330.300 2.533 20 30 EFEDRM CC(CCc1ccc2c(c1)OCO2)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370731 576374593 /nfs/dbraw/zinc/37/45/93/576374593.db2.gz UZSMSHOFXLNEGE-UHFFFAOYSA-N -1 0 327.340 2.929 20 30 EFEDRM CC(C)(C)CC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000763371701 576374680 /nfs/dbraw/zinc/37/46/80/576374680.db2.gz IXDQWTNHEBCDSM-UHFFFAOYSA-N -1 0 332.404 2.606 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cscn2)ccc1OCCC(=O)[O-] ZINC000763374877 576374727 /nfs/dbraw/zinc/37/47/27/576374727.db2.gz UMPBGQCOIMBVJU-RQOWECAXSA-N -1 0 333.365 2.901 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cscn2)ccc1OCCC(=O)[O-] ZINC000763374875 576374788 /nfs/dbraw/zinc/37/47/88/576374788.db2.gz UMPBGQCOIMBVJU-DUXPYHPUSA-N -1 0 333.365 2.901 20 30 EFEDRM COc1nccnc1[N-]N=C1C(=O)Nc2c1ccc(Cl)c2Cl ZINC000763422363 576376928 /nfs/dbraw/zinc/37/69/28/576376928.db2.gz SRVKDSHQXBOETO-UHFFFAOYSA-N -1 0 338.154 2.560 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNCCc2ccccc2F)c1 ZINC000764721184 576494053 /nfs/dbraw/zinc/49/40/53/576494053.db2.gz CQBRVDQSDNODLR-UHFFFAOYSA-N -1 0 330.359 2.845 20 30 EFEDRM COc1cc(C=NNCCc2ccccc2F)cc([N+](=O)[O-])c1[O-] ZINC000764722060 576494218 /nfs/dbraw/zinc/49/42/18/576494218.db2.gz MCDDCTMFFSCHOT-UHFFFAOYSA-N -1 0 333.319 2.614 20 30 EFEDRM O=C1C(=N[N-]c2ncnc3ccsc32)CCN1Cc1ccccc1 ZINC000764836091 576509862 /nfs/dbraw/zinc/50/98/62/576509862.db2.gz UCYXPECALMBHCX-UHFFFAOYSA-N -1 0 337.408 2.892 20 30 EFEDRM CC(N=Nc1ncnc2ccsc21)c1cc(C(=O)[O-])ccc1O ZINC000764842132 576510855 /nfs/dbraw/zinc/51/08/55/576510855.db2.gz YHWDONZJRLTBQS-UHFFFAOYSA-N -1 0 328.353 2.931 20 30 EFEDRM C[C@H]1CC(=NC(=O)c2cc(OCc3ccccc3)ccc2[O-])NO1 ZINC000765384693 577037343 /nfs/dbraw/zinc/03/73/43/577037343.db2.gz PXMKAZSFXXXHAM-LBPRGKRZSA-N -1 0 326.352 2.823 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1ncnc2sccc21 ZINC000765570192 577054999 /nfs/dbraw/zinc/05/49/99/577054999.db2.gz RFCAPIJBJHWDAX-UHFFFAOYSA-N -1 0 338.352 2.712 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNCc3cc(F)ccc3F)[nH]nc2c1 ZINC000765572499 577055343 /nfs/dbraw/zinc/05/53/43/577055343.db2.gz CRTBYOFEICXCPM-UHFFFAOYSA-N -1 0 330.294 2.663 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccnc2ccccc21 ZINC000765578451 577056013 /nfs/dbraw/zinc/05/60/13/577056013.db2.gz ZWWKAPZMQJRHQO-UHFFFAOYSA-N -1 0 331.335 2.677 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNCc1cnc2ccccc2c1 ZINC000765582267 577056280 /nfs/dbraw/zinc/05/62/80/577056280.db2.gz CKSLJHABPLPPPY-UHFFFAOYSA-N -1 0 345.362 2.933 20 30 EFEDRM COC(=O)COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1 ZINC000765827721 577081037 /nfs/dbraw/zinc/08/10/37/577081037.db2.gz XWAAPFXGAXMKCD-SREVYHEPSA-N -1 0 346.360 2.894 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000766062411 577103010 /nfs/dbraw/zinc/10/30/10/577103010.db2.gz AQXFFBHQHCABFO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)ccc1C#N ZINC000766290272 577131563 /nfs/dbraw/zinc/13/15/63/577131563.db2.gz UXQLDJOIWVPBAJ-MDWZMJQESA-N -1 0 346.433 2.933 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cc1Cl ZINC000766363040 577140227 /nfs/dbraw/zinc/14/02/27/577140227.db2.gz VOMJOIICCZHFRF-UHFFFAOYSA-N -1 0 342.833 2.583 20 30 EFEDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766572250 577167801 /nfs/dbraw/zinc/16/78/01/577167801.db2.gz XOCZRQMXDMTIOF-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM COc1cc2c(cc1N=Cc1cc([N+](=O)[O-])ccc1[O-])NC(=O)CC2 ZINC000767337662 577204973 /nfs/dbraw/zinc/20/49/73/577204973.db2.gz MXQAPXQCRDCHPZ-UHFFFAOYSA-N -1 0 341.323 2.944 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)OCC ZINC000767569692 577215410 /nfs/dbraw/zinc/21/54/10/577215410.db2.gz VQDBEAZGMSLNAU-CYBMUJFWSA-N -1 0 345.848 2.825 20 30 EFEDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F ZINC000767602314 577217865 /nfs/dbraw/zinc/21/78/65/577217865.db2.gz DPVFCUHBBCDJPB-UFBFGSQYSA-N -1 0 338.326 2.953 20 30 EFEDRM COc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737986830 577223744 /nfs/dbraw/zinc/22/37/44/577223744.db2.gz JQOYQIVMRXOCIG-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000737688292 577227305 /nfs/dbraw/zinc/22/73/05/577227305.db2.gz BNYAFQJPMWNAGN-LLVKDONJSA-N -1 0 326.377 2.912 20 30 EFEDRM Cc1nnc(NN=C2CCCOc3ccc(C(C)C)cc32)[n-]c1=O ZINC000767762379 577232361 /nfs/dbraw/zinc/23/23/61/577232361.db2.gz UYJGNOUMPOXOAK-UHFFFAOYSA-N -1 0 327.388 2.998 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(F)c(F)cc1F ZINC000767760696 577232413 /nfs/dbraw/zinc/23/24/13/577232413.db2.gz DBXZPHMTMKPXOO-UHFFFAOYSA-N -1 0 335.310 2.985 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3ccsc32)cc1 ZINC000767954251 577244998 /nfs/dbraw/zinc/24/49/98/577244998.db2.gz IIKVPLAMIQDINV-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc3ccsc32)c1 ZINC000767953628 577245009 /nfs/dbraw/zinc/24/50/09/577245009.db2.gz ARQYRGUMRGZNTC-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM C#C[C@H](CC)OC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000768042678 577250785 /nfs/dbraw/zinc/25/07/85/577250785.db2.gz SLVQGPZTDZZMRO-LLVKDONJSA-N -1 0 335.303 2.517 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCOc2ccc3c(c2)OCO3)c1 ZINC000768186287 577259787 /nfs/dbraw/zinc/25/97/87/577259787.db2.gz YCGBWGDKHHUWRC-UHFFFAOYSA-N -1 0 340.335 2.790 20 30 EFEDRM N#C[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739073681 577264211 /nfs/dbraw/zinc/26/42/11/577264211.db2.gz FKYQCPZRURIRDG-NSHDSACASA-N -1 0 347.223 2.882 20 30 EFEDRM Cn1c(=O)c2ccccc2nc1NN=Cc1cc(Cl)cc(F)c1[O-] ZINC000768356523 577268140 /nfs/dbraw/zinc/26/81/40/577268140.db2.gz ZQWHJEQBVZHCES-UHFFFAOYSA-N -1 0 346.749 2.878 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000739077512 577268805 /nfs/dbraw/zinc/26/88/05/577268805.db2.gz OZISTQOOSKMAQE-NXEZZACHSA-N -1 0 327.167 2.534 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000739077515 577268822 /nfs/dbraw/zinc/26/88/22/577268822.db2.gz OZISTQOOSKMAQE-ZJUUUORDSA-N -1 0 327.167 2.534 20 30 EFEDRM CC(N=Nc1cc(C#N)cc(Cl)n1)c1cc(C(=O)[O-])ccc1O ZINC000768376463 577269826 /nfs/dbraw/zinc/26/98/26/577269826.db2.gz SXQHLFMNVDFTKT-UHFFFAOYSA-N -1 0 330.731 2.847 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000739085339 577272960 /nfs/dbraw/zinc/27/29/60/577272960.db2.gz FHTUVHOHOFULHQ-UHFFFAOYSA-N -1 0 326.736 2.744 20 30 EFEDRM O=C([O-])Cn1cc(CN=Nc2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000768487571 577278036 /nfs/dbraw/zinc/27/80/36/577278036.db2.gz YQRXRFURXRBXCV-UHFFFAOYSA-N -1 0 348.577 2.769 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1 ZINC000737948985 577310531 /nfs/dbraw/zinc/31/05/31/577310531.db2.gz QMCMWLGOGSWDFS-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000769288081 577349230 /nfs/dbraw/zinc/34/92/30/577349230.db2.gz JWNSPVCTIIBXOR-WDEREUQCSA-N -1 0 340.832 2.843 20 30 EFEDRM C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000769288075 577349283 /nfs/dbraw/zinc/34/92/83/577349283.db2.gz JWNSPVCTIIBXOR-GHMZBOCLSA-N -1 0 340.832 2.843 20 30 EFEDRM COc1csc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000747082792 577349891 /nfs/dbraw/zinc/34/98/91/577349891.db2.gz JIKGOKNKOXVVLH-SNVBAGLBSA-N -1 0 336.394 2.555 20 30 EFEDRM CSCCNC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769598850 577373966 /nfs/dbraw/zinc/37/39/66/577373966.db2.gz JUGAXTZTUKWICY-UHFFFAOYSA-N -1 0 338.285 2.860 20 30 EFEDRM CCOC(=O)C1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769717808 577380944 /nfs/dbraw/zinc/38/09/44/577380944.db2.gz CBZZCHLBNOHTAP-FRKPEAEDSA-N -1 0 326.736 2.716 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000769728147 577381387 /nfs/dbraw/zinc/38/13/87/577381387.db2.gz MXRXLJAFMBLTQO-UHFFFAOYSA-N -1 0 331.821 2.981 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2cccc(C)c2)n1 ZINC000726829371 577388912 /nfs/dbraw/zinc/38/89/12/577388912.db2.gz XOKNJAWEOVPJJQ-AWEZNQCLSA-N -1 0 328.393 2.722 20 30 EFEDRM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1 ZINC000769941050 577394523 /nfs/dbraw/zinc/39/45/23/577394523.db2.gz HMPKINNGAANLEE-MRXNPFEDSA-N -1 0 338.411 2.883 20 30 EFEDRM CN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000770101078 577402138 /nfs/dbraw/zinc/40/21/38/577402138.db2.gz XAJZFYGZKPJXKJ-AWEZNQCLSA-N -1 0 331.391 2.663 20 30 EFEDRM CCc1nn(C)cc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000770572889 581111983 /nfs/dbraw/zinc/11/19/83/581111983.db2.gz MXCKKQNFHDWBBH-IDVQTMNDSA-N -1 0 328.368 2.731 20 30 EFEDRM COCCc1nc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)s1 ZINC000770606528 581115598 /nfs/dbraw/zinc/11/55/98/581115598.db2.gz BGFAUWZMGFXCPC-UHFFFAOYSA-N -1 0 334.401 2.570 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1-n1cccc1 ZINC000770860992 581142570 /nfs/dbraw/zinc/14/25/70/581142570.db2.gz CMQGKJUDKTZHBZ-OAHLLOKOSA-N -1 0 332.363 2.725 20 30 EFEDRM Cc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1Cl ZINC000770869541 581143715 /nfs/dbraw/zinc/14/37/15/581143715.db2.gz ZMTNRLOHVGSVTA-CYBMUJFWSA-N -1 0 329.787 2.906 20 30 EFEDRM Cc1ccc2c(CCC(=O)C(C#N)=C([O-])c3nccn3C)c[nH]c2c1 ZINC000770875524 581144554 /nfs/dbraw/zinc/14/45/54/581144554.db2.gz BLAXIBGCWBLEMH-HNNXBMFYSA-N -1 0 334.379 2.734 20 30 EFEDRM O=C([N-][C@H](CO)c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000770886741 581146373 /nfs/dbraw/zinc/14/63/73/581146373.db2.gz XWTKMGYNHSNGEN-MRVPVSSYSA-N -1 0 333.203 2.755 20 30 EFEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC(C)(C)C1 ZINC000771074213 581171597 /nfs/dbraw/zinc/17/15/97/581171597.db2.gz AKXBUNVQVCJURP-ZIAGYGMSSA-N -1 0 340.489 2.979 20 30 EFEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC(C)(C)C1 ZINC000771074211 581171649 /nfs/dbraw/zinc/17/16/49/581171649.db2.gz AKXBUNVQVCJURP-UONOGXRCSA-N -1 0 340.489 2.979 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)s1 ZINC000771075493 581171983 /nfs/dbraw/zinc/17/19/83/581171983.db2.gz ZAVDXLSNGRCNRR-SECBINFHSA-N -1 0 346.861 2.645 20 30 EFEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771076203 581172000 /nfs/dbraw/zinc/17/20/00/581172000.db2.gz FAYHSMUDVQSIKJ-UHFFFAOYSA-N -1 0 348.468 2.712 20 30 EFEDRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771077828 581172295 /nfs/dbraw/zinc/17/22/95/581172295.db2.gz MDKXRWBXESERGE-UHFFFAOYSA-N -1 0 326.443 2.625 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000772708731 581358036 /nfs/dbraw/zinc/35/80/36/581358036.db2.gz AKSOBXFBFCPQGR-LLVKDONJSA-N -1 0 332.425 2.538 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000772722756 581359801 /nfs/dbraw/zinc/35/98/01/581359801.db2.gz CPTDQKXYFZUAAG-UHFFFAOYSA-N -1 0 334.224 2.657 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000773801818 581465278 /nfs/dbraw/zinc/46/52/78/581465278.db2.gz JFTDTLZHKHPXAH-UHFFFAOYSA-N -1 0 331.796 2.786 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)co1 ZINC000773977781 581476320 /nfs/dbraw/zinc/47/63/20/581476320.db2.gz YNTLTSRBSJKVJK-LLVKDONJSA-N -1 0 333.731 2.688 20 30 EFEDRM N#CCCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000774050789 581480496 /nfs/dbraw/zinc/48/04/96/581480496.db2.gz HBWSDQBTYIMQAX-OAHLLOKOSA-N -1 0 334.379 2.546 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000774298855 581489143 /nfs/dbraw/zinc/48/91/43/581489143.db2.gz LEAAGEOYDBFPAK-UHFFFAOYSA-N -1 0 339.416 2.699 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000738978886 581505789 /nfs/dbraw/zinc/50/57/89/581505789.db2.gz CNFDTSCNNAGEKB-LLVKDONJSA-N -1 0 325.324 2.945 20 30 EFEDRM Cc1sc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000738993141 581506358 /nfs/dbraw/zinc/50/63/58/581506358.db2.gz PLDJIZIDUICHFO-CYBMUJFWSA-N -1 0 346.320 2.819 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC000819773931 607253080 /nfs/dbraw/zinc/25/30/80/607253080.db2.gz XMGNRFQYEWHDAM-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM C=CCCC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736098146 599835002 /nfs/dbraw/zinc/83/50/02/599835002.db2.gz SIJWSIVLBGWDON-AWEZNQCLSA-N -1 0 326.190 2.831 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817675385 597121389 /nfs/dbraw/zinc/12/13/89/597121389.db2.gz UXWLOWLZJKSSLW-LBPRGKRZSA-N -1 0 334.347 2.556 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819090807 597122068 /nfs/dbraw/zinc/12/20/68/597122068.db2.gz DJCIVHSQORHVLO-UHFFFAOYSA-N -1 0 338.367 2.656 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737494211 597204432 /nfs/dbraw/zinc/20/44/32/597204432.db2.gz WDPRHBQKOQIOOU-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000819864874 597603761 /nfs/dbraw/zinc/60/37/61/597603761.db2.gz FKPQXBYKSUOVJK-INIZCTEOSA-N -1 0 340.364 2.625 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000819864878 597603766 /nfs/dbraw/zinc/60/37/66/597603766.db2.gz FKPQXBYKSUOVJK-MRXNPFEDSA-N -1 0 340.364 2.625 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000819821050 597608275 /nfs/dbraw/zinc/60/82/75/597608275.db2.gz CCRYZEOJWFLGAR-MLGOLLRUSA-N -1 0 336.775 2.674 20 30 EFEDRM Cc1cc(C)cc(C2=CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000820968053 597608396 /nfs/dbraw/zinc/60/83/96/597608396.db2.gz IXSLDBSRHQGNAG-IBGZPJMESA-N -1 0 326.396 2.924 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000819824559 597609014 /nfs/dbraw/zinc/60/90/14/597609014.db2.gz YYRRZVVOPJGQAC-CRAIPNDOSA-N -1 0 330.359 2.882 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000819824570 597609016 /nfs/dbraw/zinc/60/90/16/597609016.db2.gz ZAVRBDSMAAJJQI-IUODEOHRSA-N -1 0 342.317 2.671 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000821008813 597610448 /nfs/dbraw/zinc/61/04/48/597610448.db2.gz NITPDKAYDBZNKW-INIZCTEOSA-N -1 0 346.774 2.777 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000821008814 597610457 /nfs/dbraw/zinc/61/04/57/597610457.db2.gz NITPDKAYDBZNKW-MRXNPFEDSA-N -1 0 346.774 2.777 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cnc1N1CCCC[C@H]1C ZINC000821009089 597612267 /nfs/dbraw/zinc/61/22/67/597612267.db2.gz VKJXDFZKWNSHQS-ACJLOTCBSA-N -1 0 344.415 2.712 20 30 EFEDRM Cc1cc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c(C)c1C ZINC000820954256 597613505 /nfs/dbraw/zinc/61/35/05/597613505.db2.gz WLXHRFQCFFJQDY-SFHVURJKSA-N -1 0 331.368 2.651 20 30 EFEDRM Cc1ccccc1-c1noc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC000821120152 597614827 /nfs/dbraw/zinc/61/48/27/597614827.db2.gz PEFRFQQJKQZZPT-DIFFPNOSSA-N -1 0 343.339 2.654 20 30 EFEDRM Cc1oc(-c2cccs2)nc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821248039 597614832 /nfs/dbraw/zinc/61/48/32/597614832.db2.gz AAMRLLTYUYWCAY-OAHLLOKOSA-N -1 0 334.353 2.759 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Nc2ccccc2)n1 ZINC000819873839 597616627 /nfs/dbraw/zinc/61/66/27/597616627.db2.gz DOVVTCLBFHSHDU-INIZCTEOSA-N -1 0 345.380 2.934 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)s1 ZINC000819874205 597616680 /nfs/dbraw/zinc/61/66/80/597616680.db2.gz IYEOFLSLGLZINO-LLVKDONJSA-N -1 0 332.175 2.558 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)c(Br)c1 ZINC000819874902 597621068 /nfs/dbraw/zinc/62/10/68/597621068.db2.gz SMQRFDAMCFUCKU-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1cc(C)c(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)c1C ZINC000820968160 597625144 /nfs/dbraw/zinc/62/51/44/597625144.db2.gz QGWLEJXUKLVYDY-GOSISDBHSA-N -1 0 331.368 2.651 20 30 EFEDRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820161669 597625254 /nfs/dbraw/zinc/62/52/54/597625254.db2.gz QXPXDWUSPLKILV-KZULUSFZSA-N -1 0 331.368 2.929 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000819811126 597629459 /nfs/dbraw/zinc/62/94/59/597629459.db2.gz KLPVADOVHUWTDD-IBGZPJMESA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000819811195 597640363 /nfs/dbraw/zinc/64/03/63/597640363.db2.gz LNFFFCQFARUJSG-GOSISDBHSA-N -1 0 332.375 2.611 20 30 EFEDRM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820574441 597641718 /nfs/dbraw/zinc/64/17/18/597641718.db2.gz ZRMINNMZRLCEAU-VDZJLULYSA-N -1 0 344.411 2.617 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000819832201 597642670 /nfs/dbraw/zinc/64/26/70/597642670.db2.gz AGZQPLAALSGYLS-MRXNPFEDSA-N -1 0 334.803 2.882 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000819842892 597646980 /nfs/dbraw/zinc/64/69/80/597646980.db2.gz WNDNDRBTNXUDIO-KRWDZBQOSA-N -1 0 349.456 2.854 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOc1ccc2ccccc2c1 ZINC000819834499 597656569 /nfs/dbraw/zinc/65/65/69/597656569.db2.gz NZKNRZQKQGDJSU-LJQANCHMSA-N -1 0 340.379 2.729 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000819875420 597660140 /nfs/dbraw/zinc/66/01/40/597660140.db2.gz WPESLPRLFUODSY-QWHCGFSZSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000819857115 597720232 /nfs/dbraw/zinc/72/02/32/597720232.db2.gz RSLXCWZXCNQVSU-GFCCVEGCSA-N -1 0 345.233 2.557 20 30 EFEDRM Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNCCC(=O)[O-] ZINC000821216524 597739989 /nfs/dbraw/zinc/73/99/89/597739989.db2.gz FSUCWRHDXKNWOT-UHFFFAOYSA-N -1 0 334.807 2.600 20 30 EFEDRM CC(C)Oc1c(F)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1F ZINC000820033135 597777295 /nfs/dbraw/zinc/77/72/95/597777295.db2.gz XLAOKYRUGLSQCI-OAHLLOKOSA-N -1 0 326.299 2.695 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)[O-] ZINC000820927766 598180753 /nfs/dbraw/zinc/18/07/53/598180753.db2.gz GXASHDPNTAVUCM-UHFFFAOYSA-N -1 0 339.351 2.545 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN[C@H](C(=O)[O-])c3ccccc3)o2)c1 ZINC000821340667 598199262 /nfs/dbraw/zinc/19/92/62/598199262.db2.gz VYPJTXHLFSEHQJ-INIZCTEOSA-N -1 0 334.335 2.524 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000821340430 598207965 /nfs/dbraw/zinc/20/79/65/598207965.db2.gz IGNZMWZTDFYRPJ-CQSZACIVSA-N -1 0 336.347 2.897 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819713587 598214721 /nfs/dbraw/zinc/21/47/21/598214721.db2.gz VDYNRBMEUYSMPU-UHFFFAOYSA-N -1 0 328.368 2.918 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1Cl ZINC000819841773 598221759 /nfs/dbraw/zinc/22/17/59/598221759.db2.gz CVKHYGLGHREVKT-CQSZACIVSA-N -1 0 329.183 2.657 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000819856792 598221779 /nfs/dbraw/zinc/22/17/79/598221779.db2.gz NAFTZZOKIRNTHT-CYBMUJFWSA-N -1 0 332.690 2.884 20 30 EFEDRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602046 598222162 /nfs/dbraw/zinc/22/21/62/598222162.db2.gz ACBRAJCEXKHOBR-AWEZNQCLSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Br ZINC000820115871 598222456 /nfs/dbraw/zinc/22/24/56/598222456.db2.gz ZYKIOYUUGQAYFX-LKFCYVNXSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1 ZINC000820115606 598222525 /nfs/dbraw/zinc/22/25/25/598222525.db2.gz XWPZPTWUDLSGFO-LKFCYVNXSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCSc1ccc(Cl)cc1 ZINC000819841525 598222592 /nfs/dbraw/zinc/22/25/92/598222592.db2.gz ACDKUBRQYHGJME-CQSZACIVSA-N -1 0 326.805 2.553 20 30 EFEDRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819966924 598223455 /nfs/dbraw/zinc/22/34/55/598223455.db2.gz HLNNEIKEIDPEAV-KRWDZBQOSA-N -1 0 331.372 2.614 20 30 EFEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Br ZINC000821088200 598223475 /nfs/dbraw/zinc/22/34/75/598223475.db2.gz QAKJNSYGBKIDPH-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820114567 598223889 /nfs/dbraw/zinc/22/38/89/598223889.db2.gz PLBBXDZOYYCWOI-YMTOWFKASA-N -1 0 344.289 2.767 20 30 EFEDRM COc1cc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OC(C)C ZINC000820759070 598224060 /nfs/dbraw/zinc/22/40/60/598224060.db2.gz DVDJOVKVGHUXTG-KZULUSFZSA-N -1 0 348.399 2.664 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000819833929 598224227 /nfs/dbraw/zinc/22/42/27/598224227.db2.gz KOHHGXFXJWTHTJ-QGZVFWFLSA-N -1 0 332.375 2.758 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000819856756 598224422 /nfs/dbraw/zinc/22/44/22/598224422.db2.gz MSSGJZMEVAONCO-SFHVURJKSA-N -1 0 339.351 2.604 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000819855468 598224427 /nfs/dbraw/zinc/22/44/27/598224427.db2.gz CRJCIZLUICAVTK-SFHVURJKSA-N -1 0 339.351 2.604 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000819856490 598224888 /nfs/dbraw/zinc/22/48/88/598224888.db2.gz IXYXMTJCZXOASJ-MRXNPFEDSA-N -1 0 349.293 2.779 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000819857185 598225273 /nfs/dbraw/zinc/22/52/73/598225273.db2.gz UHCSJRZBKGYFCH-ACJLOTCBSA-N -1 0 346.383 2.578 20 30 EFEDRM Cc1ccc(-c2nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s2)c(C)c1 ZINC000821058440 598225493 /nfs/dbraw/zinc/22/54/93/598225493.db2.gz QGHLGIJSOILWSB-INIZCTEOSA-N -1 0 344.396 2.765 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000819856727 598225751 /nfs/dbraw/zinc/22/57/51/598225751.db2.gz MNJRDDQTDCLNIK-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000819865054 598225905 /nfs/dbraw/zinc/22/59/05/598225905.db2.gz GORAZRHNHYWBBT-ZDUSSCGKSA-N -1 0 325.296 2.518 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000819856122 598226125 /nfs/dbraw/zinc/22/61/25/598226125.db2.gz GMTBKRNBNCTULW-LJQANCHMSA-N -1 0 336.347 2.861 20 30 EFEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1OCC(F)F ZINC000821087778 598226411 /nfs/dbraw/zinc/22/64/11/598226411.db2.gz FGXJGCHAJPAKGF-HNNXBMFYSA-N -1 0 326.299 2.582 20 30 EFEDRM Cc1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])cccc1OCC(F)(F)F ZINC000820945357 598226596 /nfs/dbraw/zinc/22/65/96/598226596.db2.gz WLWKLPNDWGLBAH-AWEZNQCLSA-N -1 0 344.289 2.879 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000819856820 598226688 /nfs/dbraw/zinc/22/66/88/598226688.db2.gz NJQUZKNQZONNEZ-SFHVURJKSA-N -1 0 339.351 2.604 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000819865123 598226752 /nfs/dbraw/zinc/22/67/52/598226752.db2.gz HVJZSUZKGSNWFE-OAHLLOKOSA-N -1 0 336.417 2.604 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000819856645 598226970 /nfs/dbraw/zinc/22/69/70/598226970.db2.gz LOIIAVQPOLOOGE-QGZVFWFLSA-N -1 0 343.314 2.956 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000819856643 598226982 /nfs/dbraw/zinc/22/69/82/598226982.db2.gz LOIIAVQPOLOOGE-KRWDZBQOSA-N -1 0 343.314 2.956 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000819873656 598227287 /nfs/dbraw/zinc/22/72/87/598227287.db2.gz CGTILPGTHMCGPO-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000819857724 598227443 /nfs/dbraw/zinc/22/74/43/598227443.db2.gz ZKFUFMJLMOMEAB-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000819857726 598227478 /nfs/dbraw/zinc/22/74/78/598227478.db2.gz ZKFUFMJLMOMEAB-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000819857412 598227657 /nfs/dbraw/zinc/22/76/57/598227657.db2.gz XBTQFOBXCHEWHS-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OCC(F)(F)F ZINC000821008870 598228312 /nfs/dbraw/zinc/22/83/12/598228312.db2.gz QHGLPFQLQZLJNN-AWEZNQCLSA-N -1 0 344.289 2.879 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000820113948 598229234 /nfs/dbraw/zinc/22/92/34/598229234.db2.gz IWMPLDBJRSDYQW-ORAYPTAESA-N -1 0 337.379 2.930 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820114425 598230003 /nfs/dbraw/zinc/23/00/03/598230003.db2.gz NMSCWWGTVYNDSG-LKFCYVNXSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819821452 598230209 /nfs/dbraw/zinc/23/02/09/598230209.db2.gz GWYTZDQNBBZGTG-GUYCJALGSA-N -1 0 328.368 2.554 20 30 EFEDRM CCCCN1CCc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc21 ZINC000820310817 598230520 /nfs/dbraw/zinc/23/05/20/598230520.db2.gz ISSOFHLMQLFRNC-GOSISDBHSA-N -1 0 329.400 2.792 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000820205942 598230715 /nfs/dbraw/zinc/23/07/15/598230715.db2.gz JHOLLKVQPMINLT-YVEFUNNKSA-N -1 0 334.347 2.549 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000819856608 598230906 /nfs/dbraw/zinc/23/09/06/598230906.db2.gz KVGYKAZTPAVEPJ-LJQANCHMSA-N -1 0 348.362 2.969 20 30 EFEDRM N#Cc1ccccc1N1CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC000739146659 599706609 /nfs/dbraw/zinc/70/66/09/599706609.db2.gz KDFFYZSDJLLXLF-UHFFFAOYSA-N -1 0 348.815 2.693 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)nc1 ZINC000739104457 599716076 /nfs/dbraw/zinc/71/60/76/599716076.db2.gz GLCASPYYXHNXHP-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM CN(CCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000737423243 599728486 /nfs/dbraw/zinc/72/84/86/599728486.db2.gz SLVJYDNBKOTLOU-UHFFFAOYSA-N -1 0 342.317 2.563 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000737908650 599728998 /nfs/dbraw/zinc/72/89/98/599728998.db2.gz GDRFRVHFFOJNJQ-JHJVBQTASA-N -1 0 342.376 2.716 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cn2)cc1 ZINC000738202327 599731919 /nfs/dbraw/zinc/73/19/19/599731919.db2.gz FAHKVLTWAJQQDU-OAHLLOKOSA-N -1 0 341.392 2.621 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)nc1 ZINC000739103839 599732977 /nfs/dbraw/zinc/73/29/77/599732977.db2.gz COIPBRJYLHLQBB-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736432115 599738120 /nfs/dbraw/zinc/73/81/20/599738120.db2.gz BWAGIVGJGYATCY-UHFFFAOYSA-N -1 0 348.380 2.701 20 30 EFEDRM N#C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000738422949 599752058 /nfs/dbraw/zinc/75/20/58/599752058.db2.gz NYJCMVHCLGTLHO-QGZVFWFLSA-N -1 0 338.363 2.811 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCNC(=O)[O-])cc1 ZINC000736892590 599798420 /nfs/dbraw/zinc/79/84/20/599798420.db2.gz WHQCASYBKUHAQV-SMDDNHRTSA-N -1 0 331.372 2.505 20 30 EFEDRM CC(C)[C@@H](OC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736389880 599818303 /nfs/dbraw/zinc/81/83/03/599818303.db2.gz KHRJEDIPWKXDGU-MRXNPFEDSA-N -1 0 343.335 2.996 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000738432290 599833833 /nfs/dbraw/zinc/83/38/33/599833833.db2.gz HJBKEVADGIXZCW-KRWDZBQOSA-N -1 0 336.347 2.831 20 30 EFEDRM Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000826243496 607399383 /nfs/dbraw/zinc/39/93/83/607399383.db2.gz KHGMOQUBQOFYDI-CYBMUJFWSA-N -1 0 344.334 2.806 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)CCCN(C)C(=O)[O-] ZINC000737846124 599839968 /nfs/dbraw/zinc/83/99/68/599839968.db2.gz UEYPPJWSMUILSX-UHFFFAOYSA-N -1 0 326.736 2.516 20 30 EFEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739145934 599843136 /nfs/dbraw/zinc/84/31/36/599843136.db2.gz WUDGSJDYVFRFTC-JTQLQIEISA-N -1 0 348.765 2.875 20 30 EFEDRM CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC000736861315 599868074 /nfs/dbraw/zinc/86/80/74/599868074.db2.gz JSUAFQVLVVMBAC-LJQANCHMSA-N -1 0 339.395 2.949 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000739129305 599870438 /nfs/dbraw/zinc/87/04/38/599870438.db2.gz UBWIPWJEZLTANW-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM C#CCOc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000736089409 599880554 /nfs/dbraw/zinc/88/05/54/599880554.db2.gz KQDYDRPLKDBFOY-UHFFFAOYSA-N -1 0 342.351 2.962 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000736088854 599880590 /nfs/dbraw/zinc/88/05/90/599880590.db2.gz FLUUQBSVAUDEHC-UHFFFAOYSA-N -1 0 336.347 2.945 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000736088701 599880856 /nfs/dbraw/zinc/88/08/56/599880856.db2.gz BMPPUOLLOVXRFR-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000739118429 599882842 /nfs/dbraw/zinc/88/28/42/599882842.db2.gz RWCDCYQJZPFLDL-UHFFFAOYSA-N -1 0 331.349 2.826 20 30 EFEDRM CCOc1cc(C(=O)Nc2sccc2C#N)ccc1OCC(=O)[O-] ZINC000737192947 599893900 /nfs/dbraw/zinc/89/39/00/599893900.db2.gz JZZYEAROXNZMLE-UHFFFAOYSA-N -1 0 346.364 2.734 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736105965 599907842 /nfs/dbraw/zinc/90/78/42/599907842.db2.gz PSOVRGJMKPPQIR-UHFFFAOYSA-N -1 0 339.351 2.945 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000073507664 599907904 /nfs/dbraw/zinc/90/79/04/599907904.db2.gz QWWBDRFALALLRP-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NCCOc1ccc(C(=O)[O-])cc1 ZINC000739099613 599923061 /nfs/dbraw/zinc/92/30/61/599923061.db2.gz ZSSIZUFADQLEND-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM C=CCOc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000262248895 599931838 /nfs/dbraw/zinc/93/18/38/599931838.db2.gz VFYBAXZZSOJQDU-LBPRGKRZSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN(C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736117449 599934319 /nfs/dbraw/zinc/93/43/19/599934319.db2.gz KGAGOLQVSLPKPL-NSHDSACASA-N -1 0 336.461 2.620 20 30 EFEDRM CCOc1cc(C(=O)NC2(C#N)CCCCC2)ccc1OCC(=O)[O-] ZINC000737186877 599935490 /nfs/dbraw/zinc/93/54/90/599935490.db2.gz NDUNWKFFTUVRRN-UHFFFAOYSA-N -1 0 346.383 2.505 20 30 EFEDRM Cc1cc(NCC(=O)N(C)C2(C#N)CCCCC2)ccc1C(=O)[O-] ZINC000738459901 599961273 /nfs/dbraw/zinc/96/12/73/599961273.db2.gz MGKGWDWPOUATKQ-UHFFFAOYSA-N -1 0 329.400 2.790 20 30 EFEDRM N#Cc1cccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000739134075 599982582 /nfs/dbraw/zinc/98/25/82/599982582.db2.gz UQAALABHXMWKBB-AWEZNQCLSA-N -1 0 341.342 2.762 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(O[C@H](C)C#N)cc2)NC(=O)N1C1CC1 ZINC000736752268 599984790 /nfs/dbraw/zinc/98/47/90/599984790.db2.gz VUJVIYLLBFTMFM-HWPZZCPQSA-N -1 0 341.367 2.565 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737839757 599990921 /nfs/dbraw/zinc/99/09/21/599990921.db2.gz LYBWOKMGOKITFE-HNNXBMFYSA-N -1 0 348.305 2.501 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738424908 599993928 /nfs/dbraw/zinc/99/39/28/599993928.db2.gz GZNRQRURYWWTRB-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736952264 600003873 /nfs/dbraw/zinc/00/38/73/600003873.db2.gz LSTBUNFQQQKKQJ-UHFFFAOYSA-N -1 0 333.344 2.885 20 30 EFEDRM N#Cc1ccc(-c2ccn(CC(=O)Nc3ccccc3C(=O)[O-])n2)cc1 ZINC000739102366 600029044 /nfs/dbraw/zinc/02/90/44/600029044.db2.gz VZNDIXJNOAHXPL-UHFFFAOYSA-N -1 0 346.346 2.759 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1 ZINC000737226202 600029614 /nfs/dbraw/zinc/02/96/14/600029614.db2.gz DOLZMWMLKMPBBL-VMPITWQZSA-N -1 0 349.364 2.636 20 30 EFEDRM O=C([O-])c1occc1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000740282002 600030030 /nfs/dbraw/zinc/03/00/30/600030030.db2.gz POQFJKRYGDTGOG-HNQUOIGGSA-N -1 0 327.214 2.993 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736390135 600052819 /nfs/dbraw/zinc/05/28/19/600052819.db2.gz GNVDPKPJXLRODT-PUJMQQBBSA-N -1 0 344.411 2.721 20 30 EFEDRM CN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000737402412 600058782 /nfs/dbraw/zinc/05/87/82/600058782.db2.gz ROQCPMADBHTHHJ-UHFFFAOYSA-N -1 0 328.299 2.646 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2sccc2C#N)C(=O)[O-])c1 ZINC000738707142 600068134 /nfs/dbraw/zinc/06/81/34/600068134.db2.gz BBEUJRSDZQXNHR-AWEZNQCLSA-N -1 0 328.393 2.602 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])c2)c1 ZINC000739134159 600072222 /nfs/dbraw/zinc/07/22/22/600072222.db2.gz XFDOTXVBBRWTBZ-IRXDYDNUSA-N -1 0 336.347 2.796 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(C(F)(F)F)c1 ZINC000739075609 600072423 /nfs/dbraw/zinc/07/24/23/600072423.db2.gz UCYUKTVAPHRPKQ-CYBMUJFWSA-N -1 0 349.268 2.793 20 30 EFEDRM C[C@H](C(=O)Nc1ccccc1C#N)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736217703 600083877 /nfs/dbraw/zinc/08/38/77/600083877.db2.gz FDYWWZAZTTUXFK-GFCCVEGCSA-N -1 0 335.363 2.599 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2C(=O)[O-])c1 ZINC000736090736 600086760 /nfs/dbraw/zinc/08/67/60/600086760.db2.gz IRDKNNLKXSJRDO-UHFFFAOYSA-N -1 0 340.354 2.576 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000739140718 600092056 /nfs/dbraw/zinc/09/20/56/600092056.db2.gz ZDBOXPMVXJBUFX-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM C#CCOc1cccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000736089490 600121841 /nfs/dbraw/zinc/12/18/41/600121841.db2.gz LLECKKCFPIVPHZ-UHFFFAOYSA-N -1 0 340.331 2.519 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(C#N)cc1 ZINC000736191667 600124300 /nfs/dbraw/zinc/12/43/00/600124300.db2.gz ZPWVZHVVUGBCAQ-UHFFFAOYSA-N -1 0 337.331 2.997 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000736332417 600153523 /nfs/dbraw/zinc/15/35/23/600153523.db2.gz HZSYDHDGSSFQDI-UHFFFAOYSA-N -1 0 344.396 2.590 20 30 EFEDRM COc1cccc(/C=N\[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1O ZINC000738095866 600153650 /nfs/dbraw/zinc/15/36/50/600153650.db2.gz KTFOGJDXSIZIDP-LIQPLZLLSA-N -1 0 338.363 2.997 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(CCC#N)CC(C)(C)C ZINC000738530608 600157688 /nfs/dbraw/zinc/15/76/88/600157688.db2.gz FZHZOJFDXCXLJE-UHFFFAOYSA-N -1 0 331.416 2.894 20 30 EFEDRM CON=Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737840225 600160963 /nfs/dbraw/zinc/16/09/63/600160963.db2.gz UPKGKUSFAQYYMR-QGZVFWFLSA-N -1 0 340.379 2.574 20 30 EFEDRM CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C(C)(C)C(=O)[O-] ZINC000737335609 600171420 /nfs/dbraw/zinc/17/14/20/600171420.db2.gz AOGJKCLDZZMLLI-UHFFFAOYSA-N -1 0 342.351 2.665 20 30 EFEDRM CC(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000736533258 600180273 /nfs/dbraw/zinc/18/02/73/600180273.db2.gz VCVUZYZLHWTYST-UHFFFAOYSA-N -1 0 329.385 2.752 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2ccc(OCC#N)cc2)c(C)c1C(=O)[O-] ZINC000737244773 600185968 /nfs/dbraw/zinc/18/59/68/600185968.db2.gz DHLXNODOHINMQS-UHFFFAOYSA-N -1 0 342.351 2.843 20 30 EFEDRM C#CCN(C(=O)NCc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000736077083 600188924 /nfs/dbraw/zinc/18/89/24/600188924.db2.gz MFRCFOQALZXRGK-UHFFFAOYSA-N -1 0 344.411 2.628 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000739088084 600193347 /nfs/dbraw/zinc/19/33/47/600193347.db2.gz OYGPOVVZBFEBAY-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#Cc1cccc(CNC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739133110 600207200 /nfs/dbraw/zinc/20/72/00/600207200.db2.gz AYBGKMHPRPBYDE-UHFFFAOYSA-N -1 0 343.770 2.638 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cn1 ZINC000736093039 600212888 /nfs/dbraw/zinc/21/28/88/600212888.db2.gz QFCNLYWFIFZABU-UHFFFAOYSA-N -1 0 332.262 2.615 20 30 EFEDRM C#CCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736077775 600227104 /nfs/dbraw/zinc/22/71/04/600227104.db2.gz WTRKODIYQMAIAO-UHFFFAOYSA-N -1 0 332.359 2.929 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C=NOC)cc1)(C(=O)[O-])c1ccccc1 ZINC000736917191 600259393 /nfs/dbraw/zinc/25/93/93/600259393.db2.gz QMTQAJWLOHVQKO-LJQANCHMSA-N -1 0 340.379 2.787 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737194352 600337510 /nfs/dbraw/zinc/33/75/10/600337510.db2.gz HQUBWFMWPMWEMC-CYBMUJFWSA-N -1 0 343.383 2.676 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737194355 600337554 /nfs/dbraw/zinc/33/75/54/600337554.db2.gz HQUBWFMWPMWEMC-ZDUSSCGKSA-N -1 0 343.383 2.676 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736113738 600353218 /nfs/dbraw/zinc/35/32/18/600353218.db2.gz CHQIPJINXBZTNH-OAHLLOKOSA-N -1 0 344.411 2.648 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736113737 600353394 /nfs/dbraw/zinc/35/33/94/600353394.db2.gz CHQIPJINXBZTNH-HNNXBMFYSA-N -1 0 344.411 2.648 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000736615562 600359492 /nfs/dbraw/zinc/35/94/92/600359492.db2.gz OQIJTLFMKLCIFR-SNVBAGLBSA-N -1 0 331.349 2.942 20 30 EFEDRM C=C(COc1ccc(C(=O)[O-])cc1Br)C(=O)OCC ZINC000736094769 600377811 /nfs/dbraw/zinc/37/78/11/600377811.db2.gz UPLHIRKCDAFAIA-UHFFFAOYSA-N -1 0 329.146 2.645 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CSCC#N)cc1 ZINC000141265199 600392225 /nfs/dbraw/zinc/39/22/25/600392225.db2.gz SSSMUBSOWLVZON-CQSZACIVSA-N -1 0 334.441 2.873 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3C(=O)[O-])c2)cc1 ZINC000739121145 600397745 /nfs/dbraw/zinc/39/77/45/600397745.db2.gz LIGVDSCSENRCFB-KRWDZBQOSA-N -1 0 335.363 2.991 20 30 EFEDRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CC#N)CC(=O)[O-] ZINC000736621517 600402357 /nfs/dbraw/zinc/40/23/57/600402357.db2.gz BYZCITZZXJHLAL-SECBINFHSA-N -1 0 329.183 2.609 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(CC)c1 ZINC000736115009 600404079 /nfs/dbraw/zinc/40/40/79/600404079.db2.gz TZQSWCUYERDBRY-UHFFFAOYSA-N -1 0 330.340 2.558 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736390184 600424506 /nfs/dbraw/zinc/42/45/06/600424506.db2.gz HETNBOCCGBABJI-MRXNPFEDSA-N -1 0 339.351 2.694 20 30 EFEDRM N#CCOc1ccc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000739088909 600445713 /nfs/dbraw/zinc/44/57/13/600445713.db2.gz WSJXODROKYYGOT-UHFFFAOYSA-N -1 0 328.280 2.774 20 30 EFEDRM C=CCOc1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1 ZINC000736109249 600468160 /nfs/dbraw/zinc/46/81/60/600468160.db2.gz CWXDELXUMBKNTA-UHFFFAOYSA-N -1 0 332.381 2.612 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000739140585 600477252 /nfs/dbraw/zinc/47/72/52/600477252.db2.gz UIELOKHARMAKJX-UHFFFAOYSA-N -1 0 342.351 2.715 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738504209 600493003 /nfs/dbraw/zinc/49/30/03/600493003.db2.gz UOELCPCCMJNCEZ-UHFFFAOYSA-N -1 0 331.353 2.757 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000736109246 600524906 /nfs/dbraw/zinc/52/49/06/600524906.db2.gz CRMNUDMHVLDCAV-UHFFFAOYSA-N -1 0 326.352 2.686 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736113732 600531858 /nfs/dbraw/zinc/53/18/58/600531858.db2.gz BROHNUXLXSWFLG-UHFFFAOYSA-N -1 0 330.340 2.542 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736087770 600542649 /nfs/dbraw/zinc/54/26/49/600542649.db2.gz KEQSUZXGZAROAN-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000736201542 600551807 /nfs/dbraw/zinc/55/18/07/600551807.db2.gz HSFJUALBUQAPCJ-KRWDZBQOSA-N -1 0 345.355 2.885 20 30 EFEDRM Cc1nc(SCC(=O)N(CCC(=O)[O-])C(C)C)c(C#N)c(C)c1C ZINC000738868523 600558679 /nfs/dbraw/zinc/55/86/79/600558679.db2.gz JABQVQPVSZUNEV-UHFFFAOYSA-N -1 0 349.456 2.682 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000739106183 600561869 /nfs/dbraw/zinc/56/18/69/600561869.db2.gz QMQLDXVNRIWXGG-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000739106401 600564082 /nfs/dbraw/zinc/56/40/82/600564082.db2.gz RTTQZCFIOJUAFV-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736097237 600588307 /nfs/dbraw/zinc/58/83/07/600588307.db2.gz AXCFPPCLGKMADR-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM CCn1c(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc2ccccc21 ZINC000737296363 600591205 /nfs/dbraw/zinc/59/12/05/600591205.db2.gz YPCHFTWBJVVHSU-GOSISDBHSA-N -1 0 334.379 2.843 20 30 EFEDRM COc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1NC(C)=O ZINC000738041163 600592552 /nfs/dbraw/zinc/59/25/52/600592552.db2.gz XQETUDKTIKIBHR-QGZVFWFLSA-N -1 0 339.351 2.763 20 30 EFEDRM CC(C)NC(=O)c1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736477282 600594027 /nfs/dbraw/zinc/59/40/27/600594027.db2.gz DZVHEOHKSXWBAT-KRWDZBQOSA-N -1 0 337.379 2.934 20 30 EFEDRM CCc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737267816 600603901 /nfs/dbraw/zinc/60/39/01/600603901.db2.gz LGJXEHIBDFRNTF-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738734174 600604320 /nfs/dbraw/zinc/60/43/20/600604320.db2.gz KABKNAXEDFKUMX-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000739114911 600604401 /nfs/dbraw/zinc/60/44/01/600604401.db2.gz LLEJHTINOSDHAC-GOSISDBHSA-N -1 0 334.331 2.951 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000739110564 600604454 /nfs/dbraw/zinc/60/44/54/600604454.db2.gz RBVPMDJAVMUCOS-GOSISDBHSA-N -1 0 337.331 2.890 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737949056 600604746 /nfs/dbraw/zinc/60/47/46/600604746.db2.gz RTKYUWOILRSHQL-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737195933 600604777 /nfs/dbraw/zinc/60/47/77/600604777.db2.gz ZYQDLIPIMZEHNS-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM COc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC ZINC000738088242 600604791 /nfs/dbraw/zinc/60/47/91/600604791.db2.gz GNMNMOWGZOKYJM-HNNXBMFYSA-N -1 0 341.319 2.558 20 30 EFEDRM CCc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737275721 600605586 /nfs/dbraw/zinc/60/55/86/600605586.db2.gz WYWPCPOZPLTZDP-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738125936 600605817 /nfs/dbraw/zinc/60/58/17/600605817.db2.gz NTXUBIMCKIUENQ-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCc2ccccc2F)C(=O)[O-])cc1 ZINC000739109435 600605839 /nfs/dbraw/zinc/60/58/39/600605839.db2.gz LAJONAUGIIYXGU-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1N ZINC000738194938 600608631 /nfs/dbraw/zinc/60/86/31/600608631.db2.gz DSGKPORQLKTRDV-OAHLLOKOSA-N -1 0 342.376 2.845 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCOc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739112516 600611244 /nfs/dbraw/zinc/61/12/44/600611244.db2.gz ZWFQGIUNTSGRAD-QGZVFWFLSA-N -1 0 343.310 2.835 20 30 EFEDRM CC(C)(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]1 ZINC000736294764 600612679 /nfs/dbraw/zinc/61/26/79/600612679.db2.gz QRPXHCXEMJMPTN-AWEZNQCLSA-N -1 0 327.340 2.562 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cn2ccc3ccccc32)C(=O)[O-])cc1 ZINC000739115842 600614250 /nfs/dbraw/zinc/61/42/50/600614250.db2.gz VNEBAUYPFXVSEO-GOSISDBHSA-N -1 0 334.331 2.882 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000739115588 600615161 /nfs/dbraw/zinc/61/51/61/600615161.db2.gz TWMQAFREICXVPK-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])c(F)c2)C(=O)[O-])cc1 ZINC000739115902 600617174 /nfs/dbraw/zinc/61/71/74/600617174.db2.gz WDYGCFYYRUHCPO-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739139637 600621331 /nfs/dbraw/zinc/62/13/31/600621331.db2.gz IXEMHWPADLOUCQ-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#C[C@H](NC(=O)CCSCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000739075591 600632067 /nfs/dbraw/zinc/63/20/67/600632067.db2.gz UAUGARBHRZZZGY-JTQLQIEISA-N -1 0 347.223 2.882 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(F)c(C#N)c2)c(C(=O)[O-])s1 ZINC000738474812 600652060 /nfs/dbraw/zinc/65/20/60/600652060.db2.gz RMIXNLODXWMDBM-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[nH]n2)cc1F)c1cc(F)ccc1[O-] ZINC000822923836 607460828 /nfs/dbraw/zinc/46/08/28/607460828.db2.gz VRDQDNBKOPEOKY-HYXAFXHYSA-N -1 0 328.278 2.747 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c(F)cc(F)cc2F)C(=O)[O-])cc1 ZINC000833071106 600687908 /nfs/dbraw/zinc/68/79/08/600687908.db2.gz CGYPOKLCCONJRE-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM Cc1cccc(C)c1NCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832965088 600701944 /nfs/dbraw/zinc/70/19/44/600701944.db2.gz LPSNRTPMJMUFHF-SFHVURJKSA-N -1 0 338.363 2.956 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000832213566 600704263 /nfs/dbraw/zinc/70/42/63/600704263.db2.gz RLVBEWUJOXOWQI-MRXNPFEDSA-N -1 0 325.320 2.858 20 30 EFEDRM N#Cc1nnc2ccccc2c1NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739145437 600708579 /nfs/dbraw/zinc/70/85/79/600708579.db2.gz NLWHZWLLGBETHV-CYBMUJFWSA-N -1 0 348.362 2.562 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000832869204 600708855 /nfs/dbraw/zinc/70/88/55/600708855.db2.gz IYKJCGJXOVNLKK-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM COc1cc(C#N)ccc1OCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737845087 600713205 /nfs/dbraw/zinc/71/32/05/600713205.db2.gz YMNJPRYFFONANY-UHFFFAOYSA-N -1 0 338.363 2.660 20 30 EFEDRM C[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000827652670 600762401 /nfs/dbraw/zinc/76/24/01/600762401.db2.gz HWQPFTWXRWIKGK-DOMZBBRYSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000827652674 600762549 /nfs/dbraw/zinc/76/25/49/600762549.db2.gz HWQPFTWXRWIKGK-SWLSCSKDSA-N -1 0 327.384 2.516 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000832858324 600777070 /nfs/dbraw/zinc/77/70/70/600777070.db2.gz CDLLQPWTYORUMD-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832859803 600777672 /nfs/dbraw/zinc/77/76/72/600777672.db2.gz XQZBBIKDJJKEFB-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832859829 600777739 /nfs/dbraw/zinc/77/77/39/600777739.db2.gz YTQIYXPDJPEVQS-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)CCC(C)C)cc1C(=O)[O-] ZINC000832954275 600779863 /nfs/dbraw/zinc/77/98/63/600779863.db2.gz VMZJZQYIBXABSS-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccccc1 ZINC000828135725 600781743 /nfs/dbraw/zinc/78/17/43/600781743.db2.gz QBMAZTLJWVLNMG-MRXNPFEDSA-N -1 0 337.335 2.776 20 30 EFEDRM O=C([O-])c1ccoc1CON=CC(=O)Nc1ccc(F)cc1Cl ZINC000833094757 600806352 /nfs/dbraw/zinc/80/63/52/600806352.db2.gz FNJGJVDMAIHMEU-UHFFFAOYSA-N -1 0 340.694 2.911 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675207 600808019 /nfs/dbraw/zinc/80/80/19/600808019.db2.gz ZNKNVDDZAJGDMZ-SMDDNHRTSA-N -1 0 325.792 2.953 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675204 600808097 /nfs/dbraw/zinc/80/80/97/600808097.db2.gz ZNKNVDDZAJGDMZ-BXUZGUMPSA-N -1 0 325.792 2.953 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN3Cc4ccc(C(=O)[O-])cc4C3)o2)cc1 ZINC000833071116 600828132 /nfs/dbraw/zinc/82/81/32/600828132.db2.gz XDRWMALBXNXAHK-UHFFFAOYSA-N -1 0 346.346 2.822 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000739092986 600858489 /nfs/dbraw/zinc/85/84/89/600858489.db2.gz YCTNESPCGSKRER-ZDUSSCGKSA-N -1 0 336.347 2.808 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cn3ccnc3)c2)c1 ZINC000833122825 600880079 /nfs/dbraw/zinc/88/00/79/600880079.db2.gz TWCBFDXVXPTVNT-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM C#CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000736077039 600905877 /nfs/dbraw/zinc/90/58/77/600905877.db2.gz WZRMPJDTOAODEO-GOSISDBHSA-N -1 0 337.375 2.605 20 30 EFEDRM CC(C)C[C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC000736401993 600923006 /nfs/dbraw/zinc/92/30/06/600923006.db2.gz MXAZBBNYQLTTEU-NVXWUHKLSA-N -1 0 346.427 2.825 20 30 EFEDRM CC(C)C[C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC000736401996 600923077 /nfs/dbraw/zinc/92/30/77/600923077.db2.gz MXAZBBNYQLTTEU-WBVHZDCISA-N -1 0 346.427 2.825 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833065389 600924297 /nfs/dbraw/zinc/92/42/97/600924297.db2.gz AGXNEPDRPGQYJJ-CHWSQXEVSA-N -1 0 331.372 2.594 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833065390 600924311 /nfs/dbraw/zinc/92/43/11/600924311.db2.gz AGXNEPDRPGQYJJ-OLZOCXBDSA-N -1 0 331.372 2.594 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833065392 600924363 /nfs/dbraw/zinc/92/43/63/600924363.db2.gz AGXNEPDRPGQYJJ-STQMWFEESA-N -1 0 331.372 2.594 20 30 EFEDRM C=CCOc1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000825698795 600932735 /nfs/dbraw/zinc/93/27/35/600932735.db2.gz JPTVPVHPAJIEFB-UHFFFAOYSA-N -1 0 328.320 2.934 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnc(NC3CC3)s2)C(=O)[O-])cc1 ZINC000739119266 600936995 /nfs/dbraw/zinc/93/69/95/600936995.db2.gz XQOYVMSIXUEERS-LLVKDONJSA-N -1 0 332.410 2.902 20 30 EFEDRM N#Cc1ccc(OCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000739129025 600939307 /nfs/dbraw/zinc/93/93/07/600939307.db2.gz OVNUTZUMEOBJMG-UHFFFAOYSA-N -1 0 342.326 2.584 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825967478 600943670 /nfs/dbraw/zinc/94/36/70/600943670.db2.gz XJVSRNXTIIYINW-FRQCXROJSA-N -1 0 328.412 2.909 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833070547 600951282 /nfs/dbraw/zinc/95/12/82/600951282.db2.gz LWZONZKUISBZPB-ZIAGYGMSSA-N -1 0 338.367 2.573 20 30 EFEDRM N#CCN(CC(=O)[O-])CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000833067599 601003804 /nfs/dbraw/zinc/00/38/04/601003804.db2.gz WKGIMXJYVAZGQO-UHFFFAOYSA-N -1 0 347.374 2.928 20 30 EFEDRM N#CCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)[O-] ZINC000833066936 601007123 /nfs/dbraw/zinc/00/71/23/601007123.db2.gz LIBVHCOERVMJFK-UHFFFAOYSA-N -1 0 337.379 2.592 20 30 EFEDRM CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000829697402 601011945 /nfs/dbraw/zinc/01/19/45/601011945.db2.gz MFACBEAAPOQOMK-LLVKDONJSA-N -1 0 349.456 2.745 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736118995 601019370 /nfs/dbraw/zinc/01/93/70/601019370.db2.gz ZSMGTRDNTAUGDC-CSKARUKUSA-N -1 0 326.274 2.545 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000739077852 601020338 /nfs/dbraw/zinc/02/03/38/601020338.db2.gz UTTRBVGSJVSZTP-VXGBXAGGSA-N -1 0 327.167 2.534 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827879463 601072696 /nfs/dbraw/zinc/07/26/96/601072696.db2.gz QVENWMHKMDNISX-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827896748 601100230 /nfs/dbraw/zinc/10/02/30/601100230.db2.gz ZGKDCLCTUXEPCO-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc(-c2nnc(COC(=O)c3cccc(C(=O)[O-])c3)o2)c1 ZINC000821340437 601110500 /nfs/dbraw/zinc/11/05/00/601110500.db2.gz IYVXBJXKIHJQLZ-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM CC(C)N(CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000820015420 601113557 /nfs/dbraw/zinc/11/35/57/601113557.db2.gz SKFODZHWSOFZHI-UHFFFAOYSA-N -1 0 327.384 2.533 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1oc(C)nc1C ZINC000825705595 601126685 /nfs/dbraw/zinc/12/66/85/601126685.db2.gz OBTIPTYQAIQRDU-UHFFFAOYSA-N -1 0 331.324 2.946 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833065878 601127401 /nfs/dbraw/zinc/12/74/01/601127401.db2.gz OUCZXVIFARGNCC-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N(CCC#N)CC2CC2)c1OC ZINC000831891700 601132647 /nfs/dbraw/zinc/13/26/47/601132647.db2.gz GPKMEPNKLUSGFF-UHFFFAOYSA-N -1 0 347.371 2.560 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000826045594 601166338 /nfs/dbraw/zinc/16/63/38/601166338.db2.gz USEUTPVHLZYVBA-CXAGYDPISA-N -1 0 338.363 2.781 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000826031200 601168518 /nfs/dbraw/zinc/16/85/18/601168518.db2.gz HZFCMZGVAUCSDD-FZKQIMNGSA-N -1 0 338.363 2.515 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cn2ccccc12 ZINC000833068743 601181474 /nfs/dbraw/zinc/18/14/74/601181474.db2.gz BYPKGQLAGNDMMR-OLZOCXBDSA-N -1 0 326.352 2.745 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833070759 601188300 /nfs/dbraw/zinc/18/83/00/601188300.db2.gz AXKZDLSHLJXKRS-LSDHHAIUSA-N -1 0 331.368 2.761 20 30 EFEDRM COc1ccc(NC(=O)[C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000832389061 601220851 /nfs/dbraw/zinc/22/08/51/601220851.db2.gz PMNZYZKHEXNNIX-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000825698463 601223716 /nfs/dbraw/zinc/22/37/16/601223716.db2.gz IMPKSBQCNBMUNF-UHFFFAOYSA-N -1 0 338.337 2.619 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833039214 601235797 /nfs/dbraw/zinc/23/57/97/601235797.db2.gz ZTBBFDSRNDTVHU-FRRDWIJNSA-N -1 0 325.368 2.641 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000728511058 601236665 /nfs/dbraw/zinc/23/66/65/601236665.db2.gz VRSUAQJCSOBFSD-UHFFFAOYSA-N -1 0 343.404 2.808 20 30 EFEDRM N#C[C@H](COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000833063348 601237672 /nfs/dbraw/zinc/23/76/72/601237672.db2.gz ITGRGQHYYAHFSN-RBSFLKMASA-N -1 0 333.359 2.942 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)nc21 ZINC000832975573 601240061 /nfs/dbraw/zinc/24/00/61/601240061.db2.gz DGRMMNZLSOCXBN-RWMBFGLXSA-N -1 0 325.368 2.939 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000160968308 601246984 /nfs/dbraw/zinc/24/69/84/601246984.db2.gz FSRZDDJJXYOHGF-UHFFFAOYSA-N -1 0 344.603 2.722 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C#N)cn1C ZINC000825702898 601252603 /nfs/dbraw/zinc/25/26/03/601252603.db2.gz ZFOKGILZODTVSQ-UHFFFAOYSA-N -1 0 340.335 2.551 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000832915073 601262791 /nfs/dbraw/zinc/26/27/91/601262791.db2.gz GWDWUSDYIUOKNJ-ZDUSSCGKSA-N -1 0 341.392 2.844 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3cc(C(=O)[O-])ccc3F)C2=O)cc1 ZINC000833073210 601263724 /nfs/dbraw/zinc/26/37/24/601263724.db2.gz ISXMNKHKVKQPAT-HNNXBMFYSA-N -1 0 339.326 2.613 20 30 EFEDRM Cc1c(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1C(=O)[O-] ZINC000832856816 601264566 /nfs/dbraw/zinc/26/45/66/601264566.db2.gz VOWDAGXCWBNTQL-KRWDZBQOSA-N -1 0 335.363 2.782 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc(CCC(=O)[O-])cc3)C2=O)cc1 ZINC000738432432 601265384 /nfs/dbraw/zinc/26/53/84/601265384.db2.gz LWNIQMXQWLFUFQ-GOSISDBHSA-N -1 0 349.390 2.793 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3cccc(F)c3C(=O)[O-])C2=O)cc1 ZINC000833073776 601265557 /nfs/dbraw/zinc/26/55/57/601265557.db2.gz YVFKDMAJEXXYCD-HNNXBMFYSA-N -1 0 339.326 2.613 20 30 EFEDRM Cc1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)ccc1C(=O)[O-] ZINC000832896285 601265691 /nfs/dbraw/zinc/26/56/91/601265691.db2.gz DXXKOCYZSDGEOA-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)s2)c(C(=O)[O-])cc1OC ZINC000832022148 601271548 /nfs/dbraw/zinc/27/15/48/601271548.db2.gz HDAWEPOOUGUHIH-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(C#N)s1 ZINC000830006926 601282504 /nfs/dbraw/zinc/28/25/04/601282504.db2.gz FWQNCRZJWDAPIK-UHFFFAOYSA-N -1 0 348.380 2.590 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833076124 601298983 /nfs/dbraw/zinc/29/89/83/601298983.db2.gz QHSYLNJSDPVMBD-SFHVURJKSA-N -1 0 335.363 2.923 20 30 EFEDRM COc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1NC(C)=O ZINC000832408245 601299607 /nfs/dbraw/zinc/29/96/07/601299607.db2.gz ROCHCGWJOYMIFI-QGZVFWFLSA-N -1 0 339.351 2.763 20 30 EFEDRM Cc1nc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)nc2ccccc12 ZINC000832997962 601304291 /nfs/dbraw/zinc/30/42/91/601304291.db2.gz KMRHZIPKKWQHHT-SFHVURJKSA-N -1 0 332.363 2.725 20 30 EFEDRM COC(=O)NCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831206221 601305388 /nfs/dbraw/zinc/30/53/88/601305388.db2.gz CACARADZQVNOMI-MRXNPFEDSA-N -1 0 339.351 2.652 20 30 EFEDRM CN(Cc1nc2ccccc2n1C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830879551 601323887 /nfs/dbraw/zinc/32/38/87/601323887.db2.gz PAZAKFWPAZWWMP-GOSISDBHSA-N -1 0 334.379 2.703 20 30 EFEDRM COC(=O)c1ccc(/C=C2/CC/C(=C/c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831379143 601330112 /nfs/dbraw/zinc/33/01/12/601330112.db2.gz KZBKJRFJSFUKAM-WGEIWTTOSA-N -1 0 340.335 2.658 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C1=O ZINC000829356732 601336569 /nfs/dbraw/zinc/33/65/69/601336569.db2.gz JBXTZFODUYXDOA-KRWDZBQOSA-N -1 0 348.403 2.718 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cc(F)c(F)c(F)c1 ZINC000833016186 601338372 /nfs/dbraw/zinc/33/83/72/601338372.db2.gz QUDPMJDSHSYWLW-UHFFFAOYSA-N -1 0 340.305 2.838 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894878 601343639 /nfs/dbraw/zinc/34/36/39/601343639.db2.gz BTRLZAAQRVIBGR-BLLLJJGKSA-N -1 0 325.320 2.695 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C(=O)[O-])c1 ZINC000833075932 601343851 /nfs/dbraw/zinc/34/38/51/601343851.db2.gz OMXVIFLNNQHECH-RKAFVSPFSA-N -1 0 341.363 2.623 20 30 EFEDRM COc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC ZINC000832522736 601344079 /nfs/dbraw/zinc/34/40/79/601344079.db2.gz CRUXIVOYANWLHR-HNNXBMFYSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1cc(OC)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832041116 601344195 /nfs/dbraw/zinc/34/41/95/601344195.db2.gz OBXLDUXRKYMVNL-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000832951667 601344266 /nfs/dbraw/zinc/34/42/66/601344266.db2.gz SMCQGPZYXLUSHR-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)cc2O)C(=O)[O-])c1 ZINC000833076992 601344797 /nfs/dbraw/zinc/34/47/97/601344797.db2.gz KHRFDNFXYHAPAT-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM Cc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832979585 601345357 /nfs/dbraw/zinc/34/53/57/601345357.db2.gz ROSWJXXDYXRLCE-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000825946930 601345501 /nfs/dbraw/zinc/34/55/01/601345501.db2.gz XLFHLGVLJAJVRB-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM COc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832287271 601345868 /nfs/dbraw/zinc/34/58/68/601345868.db2.gz LAVHPGPHNQYKPD-KRWDZBQOSA-N -1 0 343.310 2.618 20 30 EFEDRM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827879662 601348135 /nfs/dbraw/zinc/34/81/35/601348135.db2.gz VGYSDYIJBHCCRN-CXAGYDPISA-N -1 0 339.347 2.832 20 30 EFEDRM COCc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831822216 601348438 /nfs/dbraw/zinc/34/84/38/601348438.db2.gz XBIINLHVSFCAGM-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000833077645 601348785 /nfs/dbraw/zinc/34/87/85/601348785.db2.gz YBJIWLMFSIVUKP-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM Cc1cc(C)n([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880529 601349268 /nfs/dbraw/zinc/34/92/68/601349268.db2.gz SHQHJEVLQHHXJB-SUMWQHHRSA-N -1 0 341.367 2.692 20 30 EFEDRM Cc1cc(F)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832887713 601351159 /nfs/dbraw/zinc/35/11/59/601351159.db2.gz ZTZJXHVRAIPAKT-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(N)ccc2Cl)C(=O)[O-])c1 ZINC000833077075 601351512 /nfs/dbraw/zinc/35/15/12/601351512.db2.gz KXEKAUNPSIUOBU-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM CCc1ccc(O)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830254223 601351748 /nfs/dbraw/zinc/35/17/48/601351748.db2.gz VPLWFOAAJJPZCA-MRXNPFEDSA-N -1 0 325.320 2.809 20 30 EFEDRM CC(=O)c1csc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825967435 601352584 /nfs/dbraw/zinc/35/25/84/601352584.db2.gz XGKQQSSRRGUHCI-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM Cc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2n1 ZINC000832960273 601353078 /nfs/dbraw/zinc/35/30/78/601353078.db2.gz PYLWIBYCTWRQIL-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828245406 601353570 /nfs/dbraw/zinc/35/35/70/601353570.db2.gz JRKIBWZKPMRHBE-PVUWLOKVSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829570608 601354711 /nfs/dbraw/zinc/35/47/11/601354711.db2.gz JNTYBHSZFPIOEQ-CQSZACIVSA-N -1 0 330.365 2.950 20 30 EFEDRM COc1cccc(F)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557945 601354818 /nfs/dbraw/zinc/35/48/18/601354818.db2.gz DWPYEPLGSLEDBL-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1CC1CC1 ZINC000829069436 601376512 /nfs/dbraw/zinc/37/65/12/601376512.db2.gz LLHMXWOKUOUTMV-AWEZNQCLSA-N -1 0 331.397 2.845 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-] ZINC000829339658 601403400 /nfs/dbraw/zinc/40/34/00/601403400.db2.gz LEBKEJBIFJLAIX-ZDUSSCGKSA-N -1 0 344.820 2.523 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-] ZINC000829339655 601403491 /nfs/dbraw/zinc/40/34/91/601403491.db2.gz LEBKEJBIFJLAIX-CYBMUJFWSA-N -1 0 344.820 2.523 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833064111 601427822 /nfs/dbraw/zinc/42/78/22/601427822.db2.gz FIKNHPYZIBNLFO-RDJZCZTQSA-N -1 0 335.363 2.692 20 30 EFEDRM N#Cc1c[nH]c(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000833068133 601438202 /nfs/dbraw/zinc/43/82/02/601438202.db2.gz OKNCBSWPSULZJN-MRXNPFEDSA-N -1 0 347.374 2.713 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000830379400 601460992 /nfs/dbraw/zinc/46/09/92/601460992.db2.gz UWTYVHKINVWWKE-NSHDSACASA-N -1 0 343.335 2.923 20 30 EFEDRM N#CCOc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000833067270 601485691 /nfs/dbraw/zinc/48/56/91/601485691.db2.gz BTWNZMLDGLBGTL-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CC#N)CC(=O)[O-])c2c1 ZINC000832875349 601565646 /nfs/dbraw/zinc/56/56/46/601565646.db2.gz RQDASSGHXHMPTG-UHFFFAOYSA-N -1 0 337.379 2.779 20 30 EFEDRM CCc1noc(CC)c1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830347863 601604472 /nfs/dbraw/zinc/60/44/72/601604472.db2.gz JHNAQQGQVUIFNX-QGZVFWFLSA-N -1 0 342.351 2.583 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000827212150 601624833 /nfs/dbraw/zinc/62/48/33/601624833.db2.gz BNUCQCLFHRERHA-QMMMGPOBSA-N -1 0 327.287 2.752 20 30 EFEDRM COC(=O)c1ccc(CON=Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000831384914 601628611 /nfs/dbraw/zinc/62/86/11/601628611.db2.gz GIOQJSMPYNAVMO-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000833068955 601656881 /nfs/dbraw/zinc/65/68/81/601656881.db2.gz QSUBFBVRCFPJPR-AWEZNQCLSA-N -1 0 330.290 2.782 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000833068766 601671610 /nfs/dbraw/zinc/67/16/10/601671610.db2.gz LOGJGLUMTMCZMQ-UHFFFAOYSA-N -1 0 330.290 2.563 20 30 EFEDRM CC[C@@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000828957828 601676243 /nfs/dbraw/zinc/67/62/43/601676243.db2.gz BYWSZSOKMKGJBL-SFHVURJKSA-N -1 0 344.317 2.956 20 30 EFEDRM CCC1CCC(NC(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])CC1 ZINC000829089598 601685879 /nfs/dbraw/zinc/68/58/79/601685879.db2.gz GWEJZAWVTIRRDH-UHFFFAOYSA-N -1 0 336.338 2.990 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000826568242 601686462 /nfs/dbraw/zinc/68/64/62/601686462.db2.gz SHQAAMJXJQAJHU-HUUCEWRRSA-N -1 0 329.400 2.579 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000826568236 601686489 /nfs/dbraw/zinc/68/64/89/601686489.db2.gz SHQAAMJXJQAJHU-CABCVRRESA-N -1 0 329.400 2.579 20 30 EFEDRM N#Cc1ccccc1OCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833075147 601703430 /nfs/dbraw/zinc/70/34/30/601703430.db2.gz MQVPAYAHWHZPEW-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827894876 601721664 /nfs/dbraw/zinc/72/16/64/601721664.db2.gz BRGIVNBGDXRXOJ-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825625794 601727397 /nfs/dbraw/zinc/72/73/97/601727397.db2.gz NKIQSXLLVWRNQY-UHFFFAOYSA-N -1 0 334.347 2.604 20 30 EFEDRM O=C([O-])c1cc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c[nH]1 ZINC000833298102 601792476 /nfs/dbraw/zinc/79/24/76/601792476.db2.gz NNCMZJXFGQUFRU-HNQUOIGGSA-N -1 0 326.230 2.728 20 30 EFEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C(=O)[O-] ZINC000828377055 601792986 /nfs/dbraw/zinc/79/29/86/601792986.db2.gz GBPPZWMSQHLVGG-KSSFIOAISA-N -1 0 349.390 2.666 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)c[nH]1 ZINC000833092788 601793323 /nfs/dbraw/zinc/79/33/23/601793323.db2.gz NDMZIYUDTHCKHA-LZCJLJQNSA-N -1 0 326.308 2.566 20 30 EFEDRM Cc1c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(C#N)cc1 ZINC000832848334 601794124 /nfs/dbraw/zinc/79/41/24/601794124.db2.gz AJQRJBQOYQEYMR-DAXSKMNVSA-N -1 0 346.346 2.975 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000833068669 601820711 /nfs/dbraw/zinc/82/07/11/601820711.db2.gz IXZIWZVUPMLJJK-CQSZACIVSA-N -1 0 334.253 2.531 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825608661 601843033 /nfs/dbraw/zinc/84/30/33/601843033.db2.gz HQTMFHKDVLBPJO-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM N#Cc1ccc(CC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000833072661 601871202 /nfs/dbraw/zinc/87/12/02/601871202.db2.gz OSDBRMHTNSSUGE-UHFFFAOYSA-N -1 0 327.361 2.883 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833067605 601904645 /nfs/dbraw/zinc/90/46/45/601904645.db2.gz GROAHPNGGMYISE-DZGCQCFKSA-N -1 0 330.384 2.742 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833065211 601958707 /nfs/dbraw/zinc/95/87/07/601958707.db2.gz VJDROSNIZGROEI-MRXNPFEDSA-N -1 0 341.436 2.829 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000833075412 601987392 /nfs/dbraw/zinc/98/73/92/601987392.db2.gz RCHXLJMADCMWGT-UHFFFAOYSA-N -1 0 349.389 2.503 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000833072600 602015704 /nfs/dbraw/zinc/01/57/04/602015704.db2.gz OMJIZFWWEYAUTK-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM C#CCN(CC#CC)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825609117 602019340 /nfs/dbraw/zinc/01/93/40/602019340.db2.gz VKNZIFXCHFRIHO-UHFFFAOYSA-N -1 0 338.285 2.894 20 30 EFEDRM CC1CC(C#N)(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000828150530 602020780 /nfs/dbraw/zinc/02/07/80/602020780.db2.gz QXFATDRSSPSZRX-UHFFFAOYSA-N -1 0 337.379 2.691 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2cnc3ccccc3n2)cc1)C(=O)[O-] ZINC000794901882 602073849 /nfs/dbraw/zinc/07/38/49/602073849.db2.gz KHVVLKCKIQFHFI-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738433330 602077776 /nfs/dbraw/zinc/07/77/76/602077776.db2.gz ZVEYLYALCIGUBW-SFHVURJKSA-N -1 0 349.390 2.793 20 30 EFEDRM C[C@H](Oc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000794697514 602107986 /nfs/dbraw/zinc/10/79/86/602107986.db2.gz KRZHZKAWTDDXDR-SYEOYNTFSA-N -1 0 326.304 2.860 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)o1 ZINC000833312684 602150215 /nfs/dbraw/zinc/15/02/15/602150215.db2.gz SYSIDLWKQXPCRS-GQCTYLIASA-N -1 0 345.326 2.850 20 30 EFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@H](C)CC(=O)[O-] ZINC000830265790 602182603 /nfs/dbraw/zinc/18/26/03/602182603.db2.gz QKZMDRPYUCKOKH-RISCZKNCSA-N -1 0 330.384 2.570 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833015223 602189180 /nfs/dbraw/zinc/18/91/80/602189180.db2.gz AMBKYMUXVKTIJE-UHFFFAOYSA-N -1 0 346.412 2.745 20 30 EFEDRM C=CCn1c(S[C@H](CCCC)C(=O)[O-])nnc1-c1cnccn1 ZINC000825710811 602241929 /nfs/dbraw/zinc/24/19/29/602241929.db2.gz CAQIKYPZDXLCEG-GFCCVEGCSA-N -1 0 333.417 2.657 20 30 EFEDRM N#Cc1cc(COC(=O)c2cccc(OCC(=O)[O-])c2)ccc1F ZINC000833068646 602266433 /nfs/dbraw/zinc/26/64/33/602266433.db2.gz HEDYLUHCSJDJDV-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000833068721 602266620 /nfs/dbraw/zinc/26/66/20/602266620.db2.gz KRCGXQSGODRLKA-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3ccc(C(=O)[O-])c(F)c3)C2=O)cc1 ZINC000833072968 602302868 /nfs/dbraw/zinc/30/28/68/602302868.db2.gz BTGINMMJLGUFMF-INIZCTEOSA-N -1 0 339.326 2.613 20 30 EFEDRM Cc1nc2sccn2c1CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833006279 602324034 /nfs/dbraw/zinc/32/40/34/602324034.db2.gz AHDPFMNWTWXKLP-HNNXBMFYSA-N -1 0 340.408 2.834 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000825647739 602347506 /nfs/dbraw/zinc/34/75/06/602347506.db2.gz UONPHVCBCZTTDT-AWEZNQCLSA-N -1 0 340.807 2.748 20 30 EFEDRM N#CCOc1ccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738425537 602969227 /nfs/dbraw/zinc/96/92/27/602969227.db2.gz GVJLGEDTGGLFRW-UHFFFAOYSA-N -1 0 326.308 2.827 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736094725 603286471 /nfs/dbraw/zinc/28/64/71/603286471.db2.gz UBMVNTYEHROXRH-AWEZNQCLSA-N -1 0 333.388 2.905 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(NC(=O)[O-])cc1 ZINC000739099298 603573043 /nfs/dbraw/zinc/57/30/43/603573043.db2.gz SVWNNWBSAFBVOH-UHFFFAOYSA-N -1 0 327.300 2.606 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000824025629 604254179 /nfs/dbraw/zinc/25/41/79/604254179.db2.gz UKYSUBKOPBRJQP-UHFFFAOYSA-N -1 0 329.274 2.646 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)[O-] ZINC000826768451 604293600 /nfs/dbraw/zinc/29/36/00/604293600.db2.gz KEPCYLMKDDXCHL-CQSZACIVSA-N -1 0 332.400 2.579 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737533054 604312439 /nfs/dbraw/zinc/31/24/39/604312439.db2.gz PCWUUOFXINHQLB-UHFFFAOYSA-N -1 0 328.368 2.825 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833075017 604347910 /nfs/dbraw/zinc/34/79/10/604347910.db2.gz JLJFNRWZQNQDLF-ALCCZGGFSA-N -1 0 327.365 2.684 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000736379799 604384394 /nfs/dbraw/zinc/38/43/94/604384394.db2.gz NCMMUWHGGYBMHV-ZDUSSCGKSA-N -1 0 340.763 2.578 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832850052 604399329 /nfs/dbraw/zinc/39/93/29/604399329.db2.gz ZHYUOOZUJWNZDU-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833536391 604498328 /nfs/dbraw/zinc/49/83/28/604498328.db2.gz CBIRXFDJASLGFJ-FUJMWEONSA-N -1 0 331.368 2.902 20 30 EFEDRM C=CCc1cc(CN(CC(=O)[O-])CC(F)(F)F)c(O)c(OC)c1 ZINC000833379526 604502191 /nfs/dbraw/zinc/50/21/91/604502191.db2.gz FBYYSIZZGUIIHP-UHFFFAOYSA-N -1 0 333.306 2.578 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000825664471 604509606 /nfs/dbraw/zinc/50/96/06/604509606.db2.gz AMGBDUXMJHNIEH-ZDUSSCGKSA-N -1 0 335.381 2.964 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000825664469 604510024 /nfs/dbraw/zinc/51/00/24/604510024.db2.gz ALWJKZHHXNUFLQ-CQSZACIVSA-N -1 0 334.397 2.699 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833072025 604510272 /nfs/dbraw/zinc/51/02/72/604510272.db2.gz UFCTWGZAJVLYND-UHFFFAOYSA-N -1 0 331.353 2.518 20 30 EFEDRM CC(C)Oc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000833507122 604516673 /nfs/dbraw/zinc/51/66/73/604516673.db2.gz UYLBRYMXIJHWRH-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833067259 604524816 /nfs/dbraw/zinc/52/48/16/604524816.db2.gz BRQHZTQLTMOGSE-UHFFFAOYSA-N -1 0 331.353 2.670 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2cc(C#N)cc(Cl)n2)cc1)C(=O)[O-] ZINC000794922574 604536811 /nfs/dbraw/zinc/53/68/11/604536811.db2.gz LCTNVNKTKMVDQB-JTQLQIEISA-N -1 0 344.758 2.905 20 30 EFEDRM C=C(C)[C@@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)OCC ZINC000833368616 604542018 /nfs/dbraw/zinc/54/20/18/604542018.db2.gz MXXRFTYGDFKUKE-CQSZACIVSA-N -1 0 332.356 2.871 20 30 EFEDRM C[C@H]1C(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C(=O)N1c1ccccc1 ZINC000833584016 604546997 /nfs/dbraw/zinc/54/69/97/604546997.db2.gz MYTHWNPGPKATEN-LBPRGKRZSA-N -1 0 349.346 2.614 20 30 EFEDRM N#Cc1c(Cn2c(=O)oc3cc(Cl)ccc32)cccc1C(=O)[O-] ZINC000833761102 604548096 /nfs/dbraw/zinc/54/80/96/604548096.db2.gz NWAAQZGBDXNUIQ-UHFFFAOYSA-N -1 0 328.711 2.866 20 30 EFEDRM N#Cc1c(CSc2nnnn2-c2ccccc2)cccc1C(=O)[O-] ZINC000833760834 604551549 /nfs/dbraw/zinc/55/15/49/604551549.db2.gz DPWAEAGMOXDYCT-UHFFFAOYSA-N -1 0 337.364 2.524 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)OCC ZINC000833367573 604555483 /nfs/dbraw/zinc/55/54/83/604555483.db2.gz OALKHTLOQZWMMN-HNNXBMFYSA-N -1 0 341.354 2.749 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000832336261 604556069 /nfs/dbraw/zinc/55/60/69/604556069.db2.gz MEQXUGDXLLKESP-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000833523208 604560142 /nfs/dbraw/zinc/56/01/42/604560142.db2.gz YWJVSKPIZYWAOI-ZDUSSCGKSA-N -1 0 337.379 2.859 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)OCC ZINC000833367720 604561442 /nfs/dbraw/zinc/56/14/42/604561442.db2.gz SDGZIDYYLBKJKR-CYBMUJFWSA-N -1 0 337.372 2.712 20 30 EFEDRM C[C@H](Oc1cccc(F)c1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833539428 604580898 /nfs/dbraw/zinc/58/08/98/604580898.db2.gz FZAXIMRGBHRPIB-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833536006 604580983 /nfs/dbraw/zinc/58/09/83/604580983.db2.gz OQUVQHCXWVWYJQ-ZDUSSCGKSA-N -1 0 339.347 2.905 20 30 EFEDRM C[C@@H]1CCCC[C@H]1OCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833614286 604583015 /nfs/dbraw/zinc/58/30/15/604583015.db2.gz ZVWOWRTVCIDXSP-MLGOLLRUSA-N -1 0 331.368 2.895 20 30 EFEDRM C[C@H]1CCCC[C@@H]1OCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833614285 604583025 /nfs/dbraw/zinc/58/30/25/604583025.db2.gz ZVWOWRTVCIDXSP-LRDDRELGSA-N -1 0 331.368 2.895 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833614287 604583086 /nfs/dbraw/zinc/58/30/86/604583086.db2.gz ZVWOWRTVCIDXSP-WBMJQRKESA-N -1 0 331.368 2.895 20 30 EFEDRM N#CCCCCNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833062292 604586008 /nfs/dbraw/zinc/58/60/08/604586008.db2.gz KXTOIZSMTNXWRS-UHFFFAOYSA-N -1 0 344.415 2.665 20 30 EFEDRM C#CCOc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000833366994 604586967 /nfs/dbraw/zinc/58/69/67/604586967.db2.gz OHMOHXYFRDRRTM-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#CCOCCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833364050 604589431 /nfs/dbraw/zinc/58/94/31/604589431.db2.gz IEKKZGZBSJLOSA-ZDUSSCGKSA-N -1 0 331.151 2.702 20 30 EFEDRM C#CCOCCC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833366481 604589508 /nfs/dbraw/zinc/58/95/08/604589508.db2.gz YUGFFYGCHACXBC-UHFFFAOYSA-N -1 0 345.376 2.591 20 30 EFEDRM C#CCOCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833364296 604589708 /nfs/dbraw/zinc/58/97/08/604589708.db2.gz NTJKFQQIRSMWLP-CYBMUJFWSA-N -1 0 331.151 2.702 20 30 EFEDRM C#CCCCCNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000825605412 604595020 /nfs/dbraw/zinc/59/50/20/604595020.db2.gz CIBKHXMGTIQQLY-UHFFFAOYSA-N -1 0 343.427 2.774 20 30 EFEDRM Cc1cc([C@@H](C)OC(=O)C#Cc2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000832874011 604599959 /nfs/dbraw/zinc/59/99/59/604599959.db2.gz JMRLWHRIGCCYKB-LLVKDONJSA-N -1 0 342.303 2.671 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000833371168 604611059 /nfs/dbraw/zinc/61/10/59/604611059.db2.gz PTVGTJZCLCAVTB-NSHDSACASA-N -1 0 348.374 2.736 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc2NC1=O ZINC000833629673 604615484 /nfs/dbraw/zinc/61/54/84/604615484.db2.gz KYGQDRBPWQASJP-LBPRGKRZSA-N -1 0 335.363 2.851 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000832716126 604627011 /nfs/dbraw/zinc/62/70/11/604627011.db2.gz GZCHVLMMQWOUCW-WCIBSUBMSA-N -1 0 330.361 2.684 20 30 EFEDRM C[C@H](Oc1ccc(CN(CCC#N)Cc2ccccn2)cc1)C(=O)[O-] ZINC000833539112 604633003 /nfs/dbraw/zinc/63/30/03/604633003.db2.gz WRVJLVFICIGTLW-HNNXBMFYSA-N -1 0 339.395 2.849 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000833360564 604633329 /nfs/dbraw/zinc/63/33/29/604633329.db2.gz LVMGDNZYYGSRKD-ZDUSSCGKSA-N -1 0 329.381 2.656 20 30 EFEDRM CC(N=Nc1ccc(-n2cccn2)nn1)[C@@H](C)CCCCC(=O)[O-] ZINC000814806503 604637700 /nfs/dbraw/zinc/63/77/00/604637700.db2.gz DFGDFFLPOBEZRK-LBPRGKRZSA-N -1 0 330.392 2.731 20 30 EFEDRM C#CC[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833361136 604638125 /nfs/dbraw/zinc/63/81/25/604638125.db2.gz XCRJHVSGUUSVCL-SFHVURJKSA-N -1 0 336.391 2.991 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C#N ZINC000827054971 604640238 /nfs/dbraw/zinc/64/02/38/604640238.db2.gz SCEBHTXWJNFFIV-AWEZNQCLSA-N -1 0 331.372 2.720 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(F)c1 ZINC000833072384 604655475 /nfs/dbraw/zinc/65/54/75/604655475.db2.gz XYTYUXBXHWXBJY-YWEYNIOJSA-N -1 0 347.323 2.563 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C#N)cc2F)c1C ZINC000832866703 604655751 /nfs/dbraw/zinc/65/57/51/604655751.db2.gz UPEBDKYHSGHNIR-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833376472 604681837 /nfs/dbraw/zinc/68/18/37/604681837.db2.gz WCSXABPUXPJGAI-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC000833368053 604684821 /nfs/dbraw/zinc/68/48/21/604684821.db2.gz DQSRJGMZWDPUEJ-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000833373079 604698824 /nfs/dbraw/zinc/69/88/24/604698824.db2.gz FBHBHZLIGAKTSE-HNNXBMFYSA-N -1 0 346.408 2.766 20 30 EFEDRM Cc1cc([C@H](C)Sc2nc(N)c(C#N)cc2C#N)oc1C(=O)[O-] ZINC000832875616 604708632 /nfs/dbraw/zinc/70/86/32/604708632.db2.gz UUFGKJVCWRSNNH-QMMMGPOBSA-N -1 0 328.353 2.860 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(C)C2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000825705710 604712329 /nfs/dbraw/zinc/71/23/29/604712329.db2.gz RLBCOPFMNPVQLF-UHFFFAOYSA-N -1 0 347.411 2.658 20 30 EFEDRM C=CCn1c(COc2ccccc2)nnc1SC[C@@H](F)C(=O)[O-] ZINC000825710992 604749693 /nfs/dbraw/zinc/74/96/93/604749693.db2.gz KOOMZLNRRGUQFX-GFCCVEGCSA-N -1 0 337.376 2.558 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000833070478 604786466 /nfs/dbraw/zinc/78/64/66/604786466.db2.gz IJMJTEIPYPPAMM-UHFFFAOYSA-N -1 0 349.390 2.973 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833366221 604787484 /nfs/dbraw/zinc/78/74/84/604787484.db2.gz MFYQPJLLOOMLTD-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM O=C([O-])COc1ccc(N=Cc2ccc(O)c(O)c2O)cc1Cl ZINC000833254398 604790953 /nfs/dbraw/zinc/79/09/53/604790953.db2.gz LMSCXXCNBYGCQQ-UHFFFAOYSA-N -1 0 337.715 2.671 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)c2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000833368967 604831828 /nfs/dbraw/zinc/83/18/28/604831828.db2.gz XZVKVFAMXHAJRO-UHFFFAOYSA-N -1 0 349.799 2.551 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833071402 604862366 /nfs/dbraw/zinc/86/23/66/604862366.db2.gz IZDIEKDXCNIMOY-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)OCc1ccnc(C#N)c1)C(=O)[O-] ZINC000833544913 604878408 /nfs/dbraw/zinc/87/84/08/604878408.db2.gz LASBUJMSIILIAG-LLVKDONJSA-N -1 0 342.376 2.875 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832970252 604882190 /nfs/dbraw/zinc/88/21/90/604882190.db2.gz FGBLJJKULLYETP-CQSZACIVSA-N -1 0 340.310 2.794 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(C(=O)[O-])c3)n2)c1 ZINC000821336113 604912177 /nfs/dbraw/zinc/91/21/77/604912177.db2.gz LBCYYCNMQXDHJG-UHFFFAOYSA-N -1 0 346.346 2.577 20 30 EFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C)s1 ZINC000833376271 604913587 /nfs/dbraw/zinc/91/35/87/604913587.db2.gz PYXORRPQWBAOEA-UHFFFAOYSA-N -1 0 344.439 2.593 20 30 EFEDRM CN(C(=O)[O-])c1ccccc1C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000833685550 604937839 /nfs/dbraw/zinc/93/78/39/604937839.db2.gz NFNUKERJCYPAJH-UHFFFAOYSA-N -1 0 338.319 2.712 20 30 EFEDRM C=C(Cl)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825647343 604961603 /nfs/dbraw/zinc/96/16/03/604961603.db2.gz LGTVRGZABBUEIF-AWEZNQCLSA-N -1 0 329.227 2.836 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830811143 604981986 /nfs/dbraw/zinc/98/19/86/604981986.db2.gz OSMBGLXDNHKVMR-UHFFFAOYSA-N -1 0 344.396 2.696 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318476767 604990075 /nfs/dbraw/zinc/99/00/75/604990075.db2.gz AVQQBOKFXAOPPX-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM CCc1nc(NC(=O)[C@H](C)Oc2ccccc2C#N)sc1C(=O)[O-] ZINC000833672925 604993262 /nfs/dbraw/zinc/99/32/62/604993262.db2.gz FBPHMUWOFNPZKY-VIFPVBQESA-N -1 0 345.380 2.681 20 30 EFEDRM CCc1nc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000833674340 604994942 /nfs/dbraw/zinc/99/49/42/604994942.db2.gz PGTOJMFRLMOAET-SECBINFHSA-N -1 0 345.380 2.681 20 30 EFEDRM C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000833363032 605009314 /nfs/dbraw/zinc/00/93/14/605009314.db2.gz XDLWMKFBMIPXHE-AWEZNQCLSA-N -1 0 338.201 2.885 20 30 EFEDRM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000833649363 605023203 /nfs/dbraw/zinc/02/32/03/605023203.db2.gz LQJGJCQIHXWSCQ-OAHLLOKOSA-N -1 0 339.351 2.729 20 30 EFEDRM CCC[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000833649472 605023719 /nfs/dbraw/zinc/02/37/19/605023719.db2.gz UOJRELNGLUPBDR-CQSZACIVSA-N -1 0 342.351 2.713 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000833486507 605030870 /nfs/dbraw/zinc/03/08/70/605030870.db2.gz KXWUWECYMNJHNI-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000833547543 605056415 /nfs/dbraw/zinc/05/64/15/605056415.db2.gz UVKGLYSYTLZONP-SJKOYZFVSA-N -1 0 326.352 2.984 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833760313 605140668 /nfs/dbraw/zinc/14/06/68/605140668.db2.gz NLZKHXFNFMLPNQ-UHFFFAOYSA-N -1 0 342.330 2.867 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833378854 605147010 /nfs/dbraw/zinc/14/70/10/605147010.db2.gz PFLTVVOFJUKXEF-UHFFFAOYSA-N -1 0 334.278 2.875 20 30 EFEDRM C#CCOc1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000833367350 605167083 /nfs/dbraw/zinc/16/70/83/605167083.db2.gz VGTFMWQEQBBJRG-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833365764 605176525 /nfs/dbraw/zinc/17/65/25/605176525.db2.gz ZATJUQHSFFTXML-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 ZINC000833410768 605215245 /nfs/dbraw/zinc/21/52/45/605215245.db2.gz GMRSYGKIDFMXPE-AUUYWEPGSA-N -1 0 336.391 2.873 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3c(c(C)c2C#N)CCC3)O1 ZINC000833582144 605234632 /nfs/dbraw/zinc/23/46/32/605234632.db2.gz SPQLOBAOSJJVNZ-NSHDSACASA-N -1 0 330.409 2.990 20 30 EFEDRM C=CCN(CC(=O)OCC)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000833375442 605239707 /nfs/dbraw/zinc/23/97/07/605239707.db2.gz XQMYROFFQVYCFR-UHFFFAOYSA-N -1 0 349.412 2.562 20 30 EFEDRM C=CCCOCCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833375092 605253058 /nfs/dbraw/zinc/25/30/58/605253058.db2.gz VYMPTEJTLGBAFO-GOSISDBHSA-N -1 0 331.412 2.960 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000833451226 605259933 /nfs/dbraw/zinc/25/99/33/605259933.db2.gz LCGIDOAMVPJDCE-UHFFFAOYSA-N -1 0 344.411 2.819 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)nc1 ZINC000833367892 605303677 /nfs/dbraw/zinc/30/36/77/605303677.db2.gz AVDOIGWXYDPYQW-GOSISDBHSA-N -1 0 330.343 2.772 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000833583087 605347995 /nfs/dbraw/zinc/34/79/95/605347995.db2.gz GFFPDDMNFXOSFG-NJAFHUGGSA-N -1 0 326.396 2.906 20 30 EFEDRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(C#N)cc1 ZINC000833522119 605384844 /nfs/dbraw/zinc/38/48/44/605384844.db2.gz GUELZNHYFJQOFO-ZDUSSCGKSA-N -1 0 329.400 2.954 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)cc(C)c1OCC(=O)[O-] ZINC000833742960 605478565 /nfs/dbraw/zinc/47/85/65/605478565.db2.gz CWCRLJWRCGYAEI-SFHVURJKSA-N -1 0 330.384 2.533 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)cc(C)c1OCC(=O)[O-] ZINC000833742959 605478953 /nfs/dbraw/zinc/47/89/53/605478953.db2.gz CWCRLJWRCGYAEI-GOSISDBHSA-N -1 0 330.384 2.533 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833374141 605486431 /nfs/dbraw/zinc/48/64/31/605486431.db2.gz AGKSHNHMZGNXNH-UHFFFAOYSA-N -1 0 344.323 2.757 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833539280 605493696 /nfs/dbraw/zinc/49/36/96/605493696.db2.gz YHXLQAMXBWKULS-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833539278 605493884 /nfs/dbraw/zinc/49/38/84/605493884.db2.gz YHXLQAMXBWKULS-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833515587 605565156 /nfs/dbraw/zinc/56/51/56/605565156.db2.gz IYZHQCDSZHNYDH-SNVBAGLBSA-N -1 0 342.380 2.821 20 30 EFEDRM C#CCCCCCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833361910 605580079 /nfs/dbraw/zinc/58/00/79/605580079.db2.gz RLMADGOVVVJEGO-UHFFFAOYSA-N -1 0 344.411 2.744 20 30 EFEDRM CC(=NNc1ccncc1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000833386975 605584276 /nfs/dbraw/zinc/58/42/76/605584276.db2.gz HIUNZDJMMXRGNH-UHFFFAOYSA-N -1 0 326.381 2.956 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)OCC2(C#N)CCCCC2)c(C(=O)[O-])c1C ZINC000833400149 605706825 /nfs/dbraw/zinc/70/68/25/605706825.db2.gz CMRXGRMBBPSBIA-UHFFFAOYSA-N -1 0 346.383 2.784 20 30 EFEDRM C[C@@H](Sc1ccccn1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833544772 605717641 /nfs/dbraw/zinc/71/76/41/605717641.db2.gz IWFAEUVUMICOJE-IAQYHMDHSA-N -1 0 342.376 2.803 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-] ZINC000818622233 605719320 /nfs/dbraw/zinc/71/93/20/605719320.db2.gz LTLOODMYBFEEDY-STQMWFEESA-N -1 0 333.388 2.846 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-] ZINC000818622232 605719339 /nfs/dbraw/zinc/71/93/39/605719339.db2.gz LTLOODMYBFEEDY-QWHCGFSZSA-N -1 0 333.388 2.846 20 30 EFEDRM N#Cc1ccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c(F)c1 ZINC000822832959 607128780 /nfs/dbraw/zinc/12/87/80/607128780.db2.gz KKDYIBVWRHOLTE-UHFFFAOYSA-N -1 0 333.286 2.613 20 30 EFEDRM CCC(=NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(=O)[O-])cc1 ZINC000820833236 607147313 /nfs/dbraw/zinc/14/73/13/607147313.db2.gz UKPPDQVTTPMLMF-UHFFFAOYSA-N -1 0 336.355 2.791 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)cc1[O-] ZINC000826401044 608881310 /nfs/dbraw/zinc/88/13/10/608881310.db2.gz NXAKRMVJZMSJTL-KXFIGUGUSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000826399673 609270643 /nfs/dbraw/zinc/27/06/43/609270643.db2.gz CAJAJOZYGZVGDF-DAFODLJHSA-N -1 0 346.268 2.886 20 30 EFEDRM O=C([O-])c1ccc(C=NNc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826462002 609474832 /nfs/dbraw/zinc/47/48/32/609474832.db2.gz LRBQZMNTCCYRRM-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM CC[C@H]1C[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184827 609517214 /nfs/dbraw/zinc/51/72/14/609517214.db2.gz ZWQBCDAISYZVFT-MNOVXSKESA-N -1 0 347.423 2.755 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000228420255 1249094183 /nfs/dbraw/zinc/09/41/83/1249094183.db2.gz CZWIMXXWAGEZEI-VIFPVBQESA-N -1 0 332.581 2.862 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)OCCCCC#N)cc2[n-]c1=S ZINC000733866764 1265449749 /nfs/dbraw/zinc/44/97/49/1265449749.db2.gz MRAKTQDVPUGMCU-UHFFFAOYSA-N -1 0 331.397 2.556 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850717997 1250575291 /nfs/dbraw/zinc/57/52/91/1250575291.db2.gz AMZYUSCYRBRDCR-GFCCVEGCSA-N -1 0 347.440 2.867 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2cc(Cl)ccc2s1 ZINC000850757239 1250596443 /nfs/dbraw/zinc/59/64/43/1250596443.db2.gz ICIIAVOBAQLYHA-NSHDSACASA-N -1 0 336.800 2.640 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)cc(C)c1C ZINC000850759665 1250598062 /nfs/dbraw/zinc/59/80/62/1250598062.db2.gz LWUHXBQNAYYERW-CYBMUJFWSA-N -1 0 335.201 2.691 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000850760841 1250599070 /nfs/dbraw/zinc/59/90/70/1250599070.db2.gz DGLRZWGTFNHDOT-ZDUSSCGKSA-N -1 0 341.333 2.618 20 30 EFEDRM CO[C@](C)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000850781959 1250616348 /nfs/dbraw/zinc/61/63/48/1250616348.db2.gz HIEYUIWLMWDWIT-VOJFVSQTSA-N -1 0 344.367 2.751 20 30 EFEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000850913880 1250684920 /nfs/dbraw/zinc/68/49/20/1250684920.db2.gz BEVISEZRQZCTRN-HUUCEWRRSA-N -1 0 333.494 2.856 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850930897 1250696584 /nfs/dbraw/zinc/69/65/84/1250696584.db2.gz ZNHNLYUIFBBPNB-HZPDHXFCSA-N -1 0 348.468 2.641 20 30 EFEDRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(Cl)cc1 ZINC000851015661 1250747576 /nfs/dbraw/zinc/74/75/76/1250747576.db2.gz GQDCYMHQMKMIJP-CQSZACIVSA-N -1 0 342.848 2.829 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851170451 1250839013 /nfs/dbraw/zinc/83/90/13/1250839013.db2.gz UZHTXIICTKWZCT-UHFFFAOYSA-N -1 0 346.811 2.899 20 30 EFEDRM C=CC(C)(C)CCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000851299150 1250919299 /nfs/dbraw/zinc/91/92/99/1250919299.db2.gz ZMUYBOMBTYJICT-UHFFFAOYSA-N -1 0 332.425 2.981 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000851625703 1251146139 /nfs/dbraw/zinc/14/61/39/1251146139.db2.gz TXDNANGHKXJJQA-BEFAXECRSA-N -1 0 347.411 2.806 20 30 EFEDRM CCN(Cc1ccccc1)c1ccc(C([O-])=C(C#N)C(=O)NC)cc1 ZINC000179983518 1252270637 /nfs/dbraw/zinc/27/06/37/1252270637.db2.gz BEWNENBZAIYXJV-GOSISDBHSA-N -1 0 335.407 2.782 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(OCc2cccnc2)c1 ZINC000073289702 1253972166 /nfs/dbraw/zinc/97/21/66/1253972166.db2.gz OQVMAWBUZOGIRG-UHFFFAOYSA-N -1 0 348.424 2.951 20 30 EFEDRM C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168595695 1258377360 /nfs/dbraw/zinc/37/73/60/1258377360.db2.gz LFBVWTILSWRBOA-OAHLLOKOSA-N -1 0 326.333 2.531 20 30 EFEDRM C=CC[N@H+]1CCC[C@H]1c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168595694 1258378071 /nfs/dbraw/zinc/37/80/71/1258378071.db2.gz LFBVWTILSWRBOA-HNNXBMFYSA-N -1 0 326.333 2.531 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)CC ZINC000073534268 1259114457 /nfs/dbraw/zinc/11/44/57/1259114457.db2.gz LCAYXKWIUVFBFB-OLZOCXBDSA-N -1 0 332.466 2.500 20 30 EFEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)o1 ZINC000091125388 1260206160 /nfs/dbraw/zinc/20/61/60/1260206160.db2.gz DHFLBDUOZVXUBF-UHFFFAOYSA-N -1 0 335.381 2.915 20 30 EFEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000091125649 1260207428 /nfs/dbraw/zinc/20/74/28/1260207428.db2.gz MAOBPIUFSQYDAU-UHFFFAOYSA-N -1 0 342.376 2.577 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc3ocnc32)cc1C#N ZINC001128193382 1263597796 /nfs/dbraw/zinc/59/77/96/1263597796.db2.gz ORYMQVDUXCYHIX-UHFFFAOYSA-N -1 0 326.337 2.774 20 30 EFEDRM N#CCn1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc2ccccc21 ZINC000729890251 1264101748 /nfs/dbraw/zinc/10/17/48/1264101748.db2.gz XCYBQSDQVXGVHM-INIZCTEOSA-N -1 0 348.406 2.936 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cs1 ZINC000730148821 1264214280 /nfs/dbraw/zinc/21/42/80/1264214280.db2.gz MQIYEZFEFPXCCF-ARJAWSKDSA-N -1 0 329.381 2.733 20 30 EFEDRM O=C1CCCCN1CCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000730146669 1264214606 /nfs/dbraw/zinc/21/46/06/1264214606.db2.gz DDNSFPCTIJOBDV-YVLHZVERSA-N -1 0 339.779 2.775 20 30 EFEDRM CC(=O)CCCCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000867441651 1264296719 /nfs/dbraw/zinc/29/67/19/1264296719.db2.gz FJDOVYDIMPSOSK-UHFFFAOYSA-N -1 0 344.383 2.654 20 30 EFEDRM CCn1cc(C(=O)/C=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)cn1 ZINC000730729863 1264428507 /nfs/dbraw/zinc/42/85/07/1264428507.db2.gz PCDFUEKNJPBIQU-YVMONPNESA-N -1 0 336.294 2.855 20 30 EFEDRM CC(C)NC(=O)CNC(=S)[N-]c1ccccc1SCCC#N ZINC000730953013 1264492277 /nfs/dbraw/zinc/49/22/77/1264492277.db2.gz JLBSPZOPYMLFLE-UHFFFAOYSA-N -1 0 336.486 2.503 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000730996729 1264509322 /nfs/dbraw/zinc/50/93/22/1264509322.db2.gz ZLDCFACTAQDSEA-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cccc(OCC(=O)[O-])c2)o1 ZINC000733203297 1265110439 /nfs/dbraw/zinc/11/04/39/1265110439.db2.gz CFHKHOXEHZGYEZ-UHFFFAOYSA-N -1 0 342.355 2.654 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2cccnc2)cc1 ZINC000733678116 1265347957 /nfs/dbraw/zinc/34/79/57/1265347957.db2.gz VCQGFODNZLGRHJ-SFHVURJKSA-N -1 0 349.390 2.605 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2cccnc2)cc1 ZINC000733678115 1265348568 /nfs/dbraw/zinc/34/85/68/1265348568.db2.gz VCQGFODNZLGRHJ-GOSISDBHSA-N -1 0 349.390 2.605 20 30 EFEDRM C#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734044478 1266836858 /nfs/dbraw/zinc/83/68/58/1266836858.db2.gz YWLIYZJDCBTGFC-UHFFFAOYSA-N -1 0 329.377 2.586 20 30 EFEDRM COC(=O)c1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000734094006 1266856787 /nfs/dbraw/zinc/85/67/87/1266856787.db2.gz CURQAJYBUQBLFJ-OMCISZLKSA-N -1 0 338.703 2.953 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000734712014 1267076612 /nfs/dbraw/zinc/07/66/12/1267076612.db2.gz QGEJGNLTENSIKR-SECBINFHSA-N -1 0 328.821 2.699 20 30 EFEDRM CC[C@H](C)CN(C)c1ccc(F)cc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000734745869 1267086685 /nfs/dbraw/zinc/08/66/85/1267086685.db2.gz BLDIREZOCLACRC-NSHDSACASA-N -1 0 346.410 2.953 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000735066639 1267191646 /nfs/dbraw/zinc/19/16/46/1267191646.db2.gz UJKSVBANDSEUPW-LBPRGKRZSA-N -1 0 332.425 2.906 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000735068323 1267192649 /nfs/dbraw/zinc/19/26/49/1267192649.db2.gz VHJBVVVGENHNCT-VIFPVBQESA-N -1 0 336.335 2.643 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000735267871 1267248397 /nfs/dbraw/zinc/24/83/97/1267248397.db2.gz KUXHSVSRGLCUQS-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM CC(CS(=O)(=O)c1ccccc1)N=Nc1ccccc1C(=O)[O-] ZINC000735408624 1267311287 /nfs/dbraw/zinc/31/12/87/1267311287.db2.gz JUJBAIUYIPNJMK-UHFFFAOYSA-N -1 0 332.381 2.647 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000073838615 1267535814 /nfs/dbraw/zinc/53/58/14/1267535814.db2.gz MGSSHOMINMCPQR-GFCCVEGCSA-N -1 0 339.413 2.913 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000073838632 1267535942 /nfs/dbraw/zinc/53/59/42/1267535942.db2.gz XVNYONZATFYVBL-ZJUUUORDSA-N -1 0 331.459 2.542 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000073838908 1267537344 /nfs/dbraw/zinc/53/73/44/1267537344.db2.gz GEVUPRHKWXQDDM-JTQLQIEISA-N -1 0 325.386 2.719 20 30 EFEDRM CCCCCCCCC/C=C\C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736448067 1267616200 /nfs/dbraw/zinc/61/62/00/1267616200.db2.gz JLJVKDAXWKAVPR-JQPIKURYSA-N -1 0 335.452 2.797 20 30 EFEDRM CN(C[C@H]1CCN1Cc1ccccc1C#N)C(=O)c1ccccc1O ZINC001085488712 1267629817 /nfs/dbraw/zinc/62/98/17/1267629817.db2.gz FUUILEQOMAZIKU-QGZVFWFLSA-N -1 0 335.407 2.610 20 30 EFEDRM CN(C[C@@H]1CCN1Cc1ccccc1C#N)C(=O)c1ccccc1O ZINC001085488711 1267630212 /nfs/dbraw/zinc/63/02/12/1267630212.db2.gz FUUILEQOMAZIKU-KRWDZBQOSA-N -1 0 335.407 2.610 20 30 EFEDRM Cn1c(C=NNC2CCCCC2)c(Br)cc1C(=O)[O-] ZINC001117683170 1267675402 /nfs/dbraw/zinc/67/54/02/1267675402.db2.gz UHAXEBVZRAPORF-UHFFFAOYSA-N -1 0 328.210 2.742 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)CCC1 ZINC000791793273 1278351525 /nfs/dbraw/zinc/35/15/25/1278351525.db2.gz MJDFNEUJZIUUTQ-UHFFFAOYSA-N -1 0 348.399 2.925 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)cn2)n1 ZINC000736865272 1267788327 /nfs/dbraw/zinc/78/83/27/1267788327.db2.gz UJBIYURMKJBGRN-SNVBAGLBSA-N -1 0 335.772 2.533 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2occc2s1 ZINC000737316633 1268086936 /nfs/dbraw/zinc/08/69/36/1268086936.db2.gz LJGIPVJBCRTBKT-LLVKDONJSA-N -1 0 334.397 2.748 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2F)nc1C#N ZINC001212511979 1268135019 /nfs/dbraw/zinc/13/50/19/1268135019.db2.gz PCAMUVJCVUZTEP-UHFFFAOYSA-N -1 0 335.657 2.593 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000825080232 1278407140 /nfs/dbraw/zinc/40/71/40/1278407140.db2.gz KMKNSZOOPIIESS-CQSZACIVSA-N -1 0 341.363 2.623 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)CCC1 ZINC000791889634 1278411741 /nfs/dbraw/zinc/41/17/41/1278411741.db2.gz AIPZUKLYWXVSAJ-UHFFFAOYSA-N -1 0 325.405 2.994 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000741656656 1269638139 /nfs/dbraw/zinc/63/81/39/1269638139.db2.gz DSMVXSKNNBXAHV-UHFFFAOYSA-N -1 0 349.383 2.956 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cncc(F)c2)ccc1OCC(=O)[O-] ZINC000737444867 1269680161 /nfs/dbraw/zinc/68/01/61/1269680161.db2.gz UMVDNFOIKYBKCZ-RQOWECAXSA-N -1 0 331.299 2.589 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000743643022 1270685870 /nfs/dbraw/zinc/68/58/70/1270685870.db2.gz XWQMSQHNFJPPPF-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2cnn(C)c2)c1 ZINC000744021783 1270833120 /nfs/dbraw/zinc/83/31/20/1270833120.db2.gz FKCLNTWLVYYROM-KRWDZBQOSA-N -1 0 338.411 2.716 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000744030961 1270848472 /nfs/dbraw/zinc/84/84/72/1270848472.db2.gz PDSFDQZVPZYYTR-OAHLLOKOSA-N -1 0 341.411 2.604 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737527555 1271023902 /nfs/dbraw/zinc/02/39/02/1271023902.db2.gz XXXVHSSLXASHHS-VIFPVBQESA-N -1 0 332.183 2.860 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000737534670 1271036743 /nfs/dbraw/zinc/03/67/43/1271036743.db2.gz XUONGKPWVKRBLB-UHFFFAOYSA-N -1 0 332.381 2.611 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000744936907 1271252413 /nfs/dbraw/zinc/25/24/13/1271252413.db2.gz YNSLYXVMCFXKPA-MRVPVSSYSA-N -1 0 335.772 2.766 20 30 EFEDRM CC(C)Cc1nc(C#N)c([N-]N=C2c3ccc(F)cc3NC2=O)o1 ZINC000745613152 1271540636 /nfs/dbraw/zinc/54/06/36/1271540636.db2.gz MPJXYPNGQTWPGF-UHFFFAOYSA-N -1 0 327.319 2.652 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccncc2Cl)n1 ZINC000745772547 1271628467 /nfs/dbraw/zinc/62/84/67/1271628467.db2.gz RQCFGAGLNUUWIB-SNVBAGLBSA-N -1 0 335.772 2.533 20 30 EFEDRM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1SC ZINC000746340571 1272066324 /nfs/dbraw/zinc/06/63/24/1272066324.db2.gz LFXNPQDHQGRZBQ-DQOPKJQZSA-N -1 0 332.377 2.645 20 30 EFEDRM N#Cc1ccc(Oc2nc(NCc3cc(=O)[n-]o3)ncc2F)cc1 ZINC001169484540 1272949677 /nfs/dbraw/zinc/94/96/77/1272949677.db2.gz SHWIFDAYYNCDQF-UHFFFAOYSA-N -1 0 327.275 2.585 20 30 EFEDRM N#Cc1cnc2cc(Br)ccc2c1NCc1cc(=O)[n-]o1 ZINC001169485458 1272950203 /nfs/dbraw/zinc/95/02/03/1272950203.db2.gz NRAQUZVLABLIRH-UHFFFAOYSA-N -1 0 345.156 2.597 20 30 EFEDRM CC(=O)Nc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000103348634 1273092103 /nfs/dbraw/zinc/09/21/03/1273092103.db2.gz UXEBJNAEHJTBDT-WOJGMQOQSA-N -1 0 327.340 2.920 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000805920657 1278771753 /nfs/dbraw/zinc/77/17/53/1278771753.db2.gz ULOLNQUTDUNWAB-UHFFFAOYSA-N -1 0 345.424 2.756 20 30 EFEDRM CSc1nc(Cl)c(C=N[O-])c(N=C(C)CC(=O)OC(C)C)n1 ZINC001156509165 1273617748 /nfs/dbraw/zinc/61/77/48/1273617748.db2.gz KVTQOHGHRWQXNB-ZYOIHOCMSA-N -1 0 344.824 2.927 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C)nc(C(C)C)n2)cc1C#N ZINC001411276865 1273793989 /nfs/dbraw/zinc/79/39/89/1273793989.db2.gz UNTKJWMOEBMQMA-UHFFFAOYSA-N -1 0 343.412 2.855 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1 ZINC000805923482 1278825680 /nfs/dbraw/zinc/82/56/80/1278825680.db2.gz IPUZYSAZWXLJLE-UHFFFAOYSA-N -1 0 326.443 2.687 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@H]1C ZINC000792562286 1278900494 /nfs/dbraw/zinc/90/04/94/1278900494.db2.gz KCPCIKLVBIOVNI-CABCVRRESA-N -1 0 348.509 2.899 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C ZINC000792563802 1278905628 /nfs/dbraw/zinc/90/56/28/1278905628.db2.gz SIWPBZFOZHSALD-CYBMUJFWSA-N -1 0 345.465 2.509 20 30 EFEDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000785554250 1275115093 /nfs/dbraw/zinc/11/50/93/1275115093.db2.gz NSSCSIMYONSVLS-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM CC(C)CN(CCC#N)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000785968645 1275254769 /nfs/dbraw/zinc/25/47/69/1275254769.db2.gz XFOYEAMGQLFJQN-UHFFFAOYSA-N -1 0 330.363 2.729 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000786104335 1275298067 /nfs/dbraw/zinc/29/80/67/1275298067.db2.gz BUPOHEVFYYMJBO-IBGZPJMESA-N -1 0 340.354 2.766 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000786469601 1275402974 /nfs/dbraw/zinc/40/29/74/1275402974.db2.gz BQBDSLWCWJSLPR-OPRDCNLKSA-N -1 0 333.800 2.830 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)c(Cl)cc1F ZINC000786470300 1275403784 /nfs/dbraw/zinc/40/37/84/1275403784.db2.gz OAVMOPHXMYFCJW-UHFFFAOYSA-N -1 0 332.784 2.532 20 30 EFEDRM C=C[C@](C)(CC)COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000786531402 1275421125 /nfs/dbraw/zinc/42/11/25/1275421125.db2.gz YSEGMJGIRNKYLT-QGZVFWFLSA-N -1 0 332.425 2.981 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc(C#N)s1 ZINC000786534182 1275422394 /nfs/dbraw/zinc/42/23/94/1275422394.db2.gz JDMFCVMEMIUZLO-CYBMUJFWSA-N -1 0 343.795 2.912 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786537946 1275423095 /nfs/dbraw/zinc/42/30/95/1275423095.db2.gz SRTWJKHTMLJUQH-GFCCVEGCSA-N -1 0 347.827 2.998 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)COC3)c1 ZINC000786538717 1275424929 /nfs/dbraw/zinc/42/49/29/1275424929.db2.gz GXBJSOWSUKVBJD-GOSISDBHSA-N -1 0 334.375 2.664 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786539635 1275425025 /nfs/dbraw/zinc/42/50/25/1275425025.db2.gz WKJFXMPGICDHOO-ZDUSSCGKSA-N -1 0 331.759 2.584 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(C3CC3)n2)c1 ZINC000786541655 1275437224 /nfs/dbraw/zinc/43/72/24/1275437224.db2.gz QNHNBHISZZPLLL-CQSZACIVSA-N -1 0 339.420 2.968 20 30 EFEDRM COc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786549075 1275439641 /nfs/dbraw/zinc/43/96/41/1275439641.db2.gz FKGLRUADQRYROV-CQSZACIVSA-N -1 0 328.393 2.704 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)c1 ZINC000786548620 1275439690 /nfs/dbraw/zinc/43/96/90/1275439690.db2.gz MQTOMPKFLCCPFE-CQSZACIVSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)c1 ZINC000786548910 1275439772 /nfs/dbraw/zinc/43/97/72/1275439772.db2.gz OISBWSXAXJVJQF-OAHLLOKOSA-N -1 0 332.363 2.510 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)c1 ZINC000786549416 1275440531 /nfs/dbraw/zinc/44/05/31/1275440531.db2.gz IRGDIIYSQKUEQG-CQSZACIVSA-N -1 0 339.420 2.968 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCO3)c1 ZINC000786549553 1275440567 /nfs/dbraw/zinc/44/05/67/1275440567.db2.gz RTWNWKJOIQCJNO-KRWDZBQOSA-N -1 0 334.375 2.569 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786562486 1275443813 /nfs/dbraw/zinc/44/38/13/1275443813.db2.gz XWSMKCMQWZBDAY-LBPRGKRZSA-N -1 0 349.362 2.677 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(C#N)s1 ZINC000786561052 1275444109 /nfs/dbraw/zinc/44/41/09/1275444109.db2.gz SWWMIPKWBVHCDE-GFCCVEGCSA-N -1 0 345.330 2.537 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(Cl)n1 ZINC000786563457 1275445202 /nfs/dbraw/zinc/44/52/02/1275445202.db2.gz MATJRWQNUWSXQW-NSHDSACASA-N -1 0 349.724 2.652 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(Cl)n1 ZINC000786563440 1275445220 /nfs/dbraw/zinc/44/52/20/1275445220.db2.gz MATJRWQNUWSXQW-LLVKDONJSA-N -1 0 349.724 2.652 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786571744 1275447586 /nfs/dbraw/zinc/44/75/86/1275447586.db2.gz SXKJCQXXNNVWFD-AWEZNQCLSA-N -1 0 328.318 2.912 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000787048112 1275628409 /nfs/dbraw/zinc/62/84/09/1275628409.db2.gz ZOWIWELYJSZKQI-KGLIPLIRSA-N -1 0 325.368 2.827 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cncs2)ccc1OCCC(=O)[O-] ZINC000787170983 1275704532 /nfs/dbraw/zinc/70/45/32/1275704532.db2.gz FNCTYILFUHHQDP-DUXPYHPUSA-N -1 0 333.365 2.901 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1N=NCc1ccccc1OCC(=O)[O-] ZINC000746680469 1275760479 /nfs/dbraw/zinc/76/04/79/1275760479.db2.gz VZMMIPDDRYFADM-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM C=CCCN(C)C(=O)c1cccc(I)c1[O-] ZINC000787364424 1275760708 /nfs/dbraw/zinc/76/07/08/1275760708.db2.gz UOORRYMENUAWIX-UHFFFAOYSA-N -1 0 331.153 2.645 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000746678640 1275767345 /nfs/dbraw/zinc/76/73/45/1275767345.db2.gz GDLQPCZUIWDZLN-LLVKDONJSA-N -1 0 329.312 2.893 20 30 EFEDRM C[C@H](Oc1cccc(CN=Nc2nncc3ccccc32)c1)C(=O)[O-] ZINC000746678929 1275767478 /nfs/dbraw/zinc/76/74/78/1275767478.db2.gz JFZPTYDKJWCFOL-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM O=C1NCc2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000746683971 1275782480 /nfs/dbraw/zinc/78/24/80/1275782480.db2.gz SITJSUCNAXVKAG-UHFFFAOYSA-N -1 0 331.715 2.948 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC(=O)[O-])[C@H](C)CC)cc1OC ZINC000746692812 1275815542 /nfs/dbraw/zinc/81/55/42/1275815542.db2.gz AYOSVUTZMSCPEM-QQBNSCQMSA-N -1 0 347.411 2.985 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000787681805 1275854650 /nfs/dbraw/zinc/85/46/50/1275854650.db2.gz RUIRYOKGICWVSC-CYBMUJFWSA-N -1 0 343.452 2.642 20 30 EFEDRM CCn1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1=O ZINC000788316826 1276143678 /nfs/dbraw/zinc/14/36/78/1276143678.db2.gz ANTCYCRPECQADT-MFOYZWKCSA-N -1 0 335.747 2.755 20 30 EFEDRM CCn1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1=O ZINC000788316827 1276143972 /nfs/dbraw/zinc/14/39/72/1276143972.db2.gz ANTCYCRPECQADT-RQZCQDPDSA-N -1 0 335.747 2.755 20 30 EFEDRM Cc1cc(COc2ccc(C=NN[C@H]3CCOC3)cc2)oc1C(=O)[O-] ZINC000788440665 1276165279 /nfs/dbraw/zinc/16/52/79/1276165279.db2.gz WFCDNKVCJQWNEY-AWEZNQCLSA-N -1 0 344.367 2.578 20 30 EFEDRM CC(=NN[C@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000788445558 1276174779 /nfs/dbraw/zinc/17/47/79/1276174779.db2.gz HRHJDFQKRAONSV-VIFPVBQESA-N -1 0 333.613 2.911 20 30 EFEDRM C#CCCSc1nc([O-])c(CC)c(=O)n1-c1cccc(OC)c1 ZINC000751782065 1276208336 /nfs/dbraw/zinc/20/83/36/1276208336.db2.gz OZBFMVWLKULJLR-UHFFFAOYSA-N -1 0 330.409 2.625 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817714899 1276290708 /nfs/dbraw/zinc/29/07/08/1276290708.db2.gz YMKWZIPSAWHQNY-AWEZNQCLSA-N -1 0 331.372 2.841 20 30 EFEDRM CC1(C)CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000788991196 1276431765 /nfs/dbraw/zinc/43/17/65/1276431765.db2.gz FXMUFNCMHPEUKF-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM O=C([O-])[C@H]1CCC(N=Nc2nc(-c3ccncc3)no2)c2ccccc21 ZINC000789004940 1276439812 /nfs/dbraw/zinc/43/98/12/1276439812.db2.gz KQUKJTBXCLOJKQ-AWEZNQCLSA-N -1 0 349.350 2.910 20 30 EFEDRM COc1cc(C)nc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000789022814 1276460648 /nfs/dbraw/zinc/46/06/48/1276460648.db2.gz FZHDRFTYUOXONZ-CYBMUJFWSA-N -1 0 326.356 2.572 20 30 EFEDRM CCc1cncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000789492825 1276750625 /nfs/dbraw/zinc/75/06/25/1276750625.db2.gz WEPJXTFHEPWTMN-OAHLLOKOSA-N -1 0 343.333 2.561 20 30 EFEDRM C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000923084024 1276753834 /nfs/dbraw/zinc/75/38/34/1276753834.db2.gz VQNFNZQHVHZBIA-GDBMZVCRSA-N -1 0 328.412 2.909 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000923112551 1276811282 /nfs/dbraw/zinc/81/12/82/1276811282.db2.gz YGTMSRXNDSZPLP-SFHVURJKSA-N -1 0 329.400 2.728 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C1(C)C ZINC000819813688 1276914436 /nfs/dbraw/zinc/91/44/36/1276914436.db2.gz QSNXXEVDKVJBQB-LBPRGKRZSA-N -1 0 348.403 2.871 20 30 EFEDRM Cc1oc(Br)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000819948068 1276964708 /nfs/dbraw/zinc/96/47/08/1276964708.db2.gz YBFYQBANXYBUON-LLVKDONJSA-N -1 0 339.189 2.732 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000789934880 1277099749 /nfs/dbraw/zinc/09/97/49/1277099749.db2.gz IDTYVFAPGOENLS-ZDUSSCGKSA-N -1 0 349.397 2.868 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccccc1 ZINC000790005908 1277165579 /nfs/dbraw/zinc/16/55/79/1277165579.db2.gz APIYXWZJHOEOBK-KGLIPLIRSA-N -1 0 340.345 2.570 20 30 EFEDRM Cc1cccc2c(C(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)coc21 ZINC000820538205 1277213447 /nfs/dbraw/zinc/21/34/47/1277213447.db2.gz CWJOUKLOKHAJDJ-UHFFFAOYSA-N -1 0 346.408 2.885 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC000820847876 1277346903 /nfs/dbraw/zinc/34/69/03/1277346903.db2.gz ISIPUADEGRDTSG-UHFFFAOYSA-N -1 0 325.430 2.801 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000820998726 1277395427 /nfs/dbraw/zinc/39/54/27/1277395427.db2.gz FOVXPIWOENYBGJ-UHFFFAOYSA-N -1 0 325.430 2.719 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000821327412 1277508753 /nfs/dbraw/zinc/50/87/53/1277508753.db2.gz SNDQJARQNDCLJA-UHFFFAOYSA-N -1 0 346.246 2.856 20 30 EFEDRM Cc1cc(NC(=N[O-])c2nonc2N)ccc1OCc1ccccc1 ZINC001175030580 1287297303 /nfs/dbraw/zinc/29/73/03/1287297303.db2.gz MMGSCHGZORMTGZ-UHFFFAOYSA-N -1 0 339.355 2.787 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)CCC1CC1 ZINC000790869039 1277815178 /nfs/dbraw/zinc/81/51/78/1277815178.db2.gz OUSYFBUSXMXMIC-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871826572 1287310989 /nfs/dbraw/zinc/31/09/89/1287310989.db2.gz JGGFLDPKKHLNTN-UHFFFAOYSA-N -1 0 347.820 2.632 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1c(F)cc([O-])cc1F ZINC000746986854 1277982714 /nfs/dbraw/zinc/98/27/14/1277982714.db2.gz POYWSNDNZSNWJD-JTQLQIEISA-N -1 0 327.327 2.640 20 30 EFEDRM COC(=O)c1nn(C)c(C)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1 ZINC000792891407 1279246875 /nfs/dbraw/zinc/24/68/75/1279246875.db2.gz UUICDTNCMCKKFV-FNORWQNLSA-N -1 0 334.759 2.770 20 30 EFEDRM C=CCOc1ccc(CNCc2nc(CC(=O)[O-])cs2)cc1OC ZINC000871877086 1287335823 /nfs/dbraw/zinc/33/58/23/1287335823.db2.gz WPDOPVDEHAMOQE-UHFFFAOYSA-N -1 0 348.424 2.633 20 30 EFEDRM CC[C@H](NN=Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC000793055292 1279345669 /nfs/dbraw/zinc/34/56/69/1279345669.db2.gz LGUMVOIXPTUVQT-INIZCTEOSA-N -1 0 328.368 2.758 20 30 EFEDRM CC[C@H](NN=Cc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC000793056550 1279345676 /nfs/dbraw/zinc/34/56/76/1279345676.db2.gz VSFMDDMYNNJUHA-QMMMGPOBSA-N -1 0 342.218 2.846 20 30 EFEDRM CC[C@H](NN=C1CCc2c1cc(Br)cc2F)C(=O)[O-] ZINC000793070776 1279354010 /nfs/dbraw/zinc/35/40/10/1279354010.db2.gz DWDZHBITBSKZBV-NSHDSACASA-N -1 0 329.169 2.691 20 30 EFEDRM CC[C@@H](NN=C1CCCc2c(Br)cccc21)C(=O)[O-] ZINC000793072774 1279357996 /nfs/dbraw/zinc/35/79/96/1279357996.db2.gz PFBQRIGWVCLYNA-GFCCVEGCSA-N -1 0 325.206 2.942 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000793079313 1279359714 /nfs/dbraw/zinc/35/97/14/1279359714.db2.gz QQSMPIOPCKAXBV-OAHLLOKOSA-N -1 0 334.807 2.929 20 30 EFEDRM CCOC(=O)c1ccc(-c2ccc(C=NN[C@@H](CC)C(=O)[O-])o2)cc1 ZINC000793080659 1279360318 /nfs/dbraw/zinc/36/03/18/1279360318.db2.gz CEALHALJARZJFR-HNNXBMFYSA-N -1 0 344.367 2.910 20 30 EFEDRM CC[C@H](NN=C(C)c1ccc(OC)c(Br)c1)C(=O)[O-] ZINC000793057195 1279366850 /nfs/dbraw/zinc/36/68/50/1279366850.db2.gz MIVBIMGSZOIAIN-NSHDSACASA-N -1 0 329.194 2.635 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(-c2ccc(F)cc2F)c1C)C(=O)[O-] ZINC000793058653 1279367428 /nfs/dbraw/zinc/36/74/28/1279367428.db2.gz XNUVZSBQQIBJBV-CQSZACIVSA-N -1 0 336.342 2.554 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000793127829 1279372305 /nfs/dbraw/zinc/37/23/05/1279372305.db2.gz YUBHPPYPGGNLAX-LLVKDONJSA-N -1 0 349.799 2.904 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1OCCCO1 ZINC000793119112 1279388775 /nfs/dbraw/zinc/38/87/75/1279388775.db2.gz FUVNTFPFKVAYHG-ZDUSSCGKSA-N -1 0 326.352 2.521 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2sccc2-c2ccccc2)CC1 ZINC000793196372 1279440871 /nfs/dbraw/zinc/44/08/71/1279440871.db2.gz UQKNBLQQXGROEA-UHFFFAOYSA-N -1 0 346.433 2.778 20 30 EFEDRM CCCCCN1c2ccccc2C(=N[N-]c2ncncc2F)C1=O ZINC000793209916 1279468134 /nfs/dbraw/zinc/46/81/34/1279468134.db2.gz CVZKGQXQZKYBCW-UHFFFAOYSA-N -1 0 327.363 2.969 20 30 EFEDRM CCCc1sc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1CC ZINC000793211438 1279468388 /nfs/dbraw/zinc/46/83/88/1279468388.db2.gz CDWCRRICXVUWCU-UHFFFAOYSA-N -1 0 340.470 2.626 20 30 EFEDRM CSCC1(CC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CC1 ZINC000845350087 1279582224 /nfs/dbraw/zinc/58/22/24/1279582224.db2.gz AUDDBXPDJLOUGE-LLVKDONJSA-N -1 0 338.454 2.704 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC000793349222 1279596963 /nfs/dbraw/zinc/59/69/63/1279596963.db2.gz LJWVKRMHFSUOCU-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM CCn1ccc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000845438213 1279627482 /nfs/dbraw/zinc/62/74/82/1279627482.db2.gz PCBURRNNVSZPGD-HNNXBMFYSA-N -1 0 334.379 2.827 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000846149021 1280036532 /nfs/dbraw/zinc/03/65/32/1280036532.db2.gz FVVNHLPVXLGDKG-GFCCVEGCSA-N -1 0 333.413 2.643 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000846149698 1280037155 /nfs/dbraw/zinc/03/71/55/1280037155.db2.gz PGBZHFCNFWUROK-UHFFFAOYSA-N -1 0 346.305 2.667 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000846151985 1280038210 /nfs/dbraw/zinc/03/82/10/1280038210.db2.gz KYPWFHIKKZETRY-JTQLQIEISA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000846152927 1280038378 /nfs/dbraw/zinc/03/83/78/1280038378.db2.gz VPWFAQHXNMBFFI-VIFPVBQESA-N -1 0 348.346 2.902 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000846151547 1280038565 /nfs/dbraw/zinc/03/85/65/1280038565.db2.gz AMKJBPOJMZIGSK-NSHDSACASA-N -1 0 340.807 2.936 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000846150333 1280038882 /nfs/dbraw/zinc/03/88/82/1280038882.db2.gz YYAPETZAARNVBE-UHFFFAOYSA-N -1 0 347.415 2.542 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000846152469 1280038914 /nfs/dbraw/zinc/03/89/14/1280038914.db2.gz UKGFJNGJCNCDGD-GFCCVEGCSA-N -1 0 348.399 2.577 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000846154191 1280039384 /nfs/dbraw/zinc/03/93/84/1280039384.db2.gz PFWFUQOWHLRCTK-SNVBAGLBSA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000846152374 1280039657 /nfs/dbraw/zinc/03/96/57/1280039657.db2.gz AUEIYUCHRYBOOA-JTQLQIEISA-N -1 0 330.306 2.742 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000846156237 1280040357 /nfs/dbraw/zinc/04/03/57/1280040357.db2.gz ZVHXWRQLTGKPBM-AWEZNQCLSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000846155799 1280040897 /nfs/dbraw/zinc/04/08/97/1280040897.db2.gz WUMCKVLTRCNQIZ-NEPJUHHUSA-N -1 0 333.413 2.642 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000846145926 1280052323 /nfs/dbraw/zinc/05/23/23/1280052323.db2.gz IZPJMUTYEOVXGT-UHFFFAOYSA-N -1 0 341.205 2.628 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000846147619 1280053171 /nfs/dbraw/zinc/05/31/71/1280053171.db2.gz YZFNQMLVJVELJN-UHFFFAOYSA-N -1 0 348.399 2.513 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000846146196 1280053291 /nfs/dbraw/zinc/05/32/91/1280053291.db2.gz KYUJKARXTDFGNT-UHFFFAOYSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000846146831 1280053430 /nfs/dbraw/zinc/05/34/30/1280053430.db2.gz QSEMXOVWOSUEDH-UHFFFAOYSA-N -1 0 341.205 2.628 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000846146493 1280053496 /nfs/dbraw/zinc/05/34/96/1280053496.db2.gz IYKQQVJMCDWQEC-NSHDSACASA-N -1 0 337.445 2.611 20 30 EFEDRM CC[C@H](C#N)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000846246000 1280084190 /nfs/dbraw/zinc/08/41/90/1280084190.db2.gz IDSUWBKMKNGPDB-LLVKDONJSA-N -1 0 327.306 2.662 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccnc2C#N)c1 ZINC000872010273 1287397459 /nfs/dbraw/zinc/39/74/59/1287397459.db2.gz LQEDYWKDZDSSJW-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846540533 1280234982 /nfs/dbraw/zinc/23/49/82/1280234982.db2.gz ZYQGADUWUBISQV-FAKMSMKASA-N -1 0 348.487 2.968 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846540534 1280235105 /nfs/dbraw/zinc/23/51/05/1280235105.db2.gz ZYQGADUWUBISQV-VQBCORBOSA-N -1 0 348.487 2.968 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000846542406 1280235644 /nfs/dbraw/zinc/23/56/44/1280235644.db2.gz AXHXWOQZWUOTGD-ZDUSSCGKSA-N -1 0 346.456 2.988 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000846545768 1280240330 /nfs/dbraw/zinc/24/03/30/1280240330.db2.gz QUESXMAFRQAWJE-CYBMUJFWSA-N -1 0 346.427 2.671 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000846548065 1280241373 /nfs/dbraw/zinc/24/13/73/1280241373.db2.gz CXZWSCADEQJHBP-RFAUZJTJSA-N -1 0 338.816 2.891 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000846546528 1280242226 /nfs/dbraw/zinc/24/22/26/1280242226.db2.gz CPNIXHTXCUJCDK-CCUNJIBTSA-N -1 0 340.782 2.621 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000846549985 1280244493 /nfs/dbraw/zinc/24/44/93/1280244493.db2.gz MVDNLCJGPLLBSQ-IUCAKERBSA-N -1 0 332.169 2.978 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846549660 1280245182 /nfs/dbraw/zinc/24/51/82/1280245182.db2.gz JNOPSPLZRIZMPT-MWLCHTKSSA-N -1 0 343.210 2.969 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846549663 1280245402 /nfs/dbraw/zinc/24/54/02/1280245402.db2.gz JNOPSPLZRIZMPT-ONGXEEELSA-N -1 0 343.210 2.969 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846553673 1280246998 /nfs/dbraw/zinc/24/69/98/1280246998.db2.gz FOSVUZDRDXWISS-MNOVXSKESA-N -1 0 334.363 2.501 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000846552629 1280247035 /nfs/dbraw/zinc/24/70/35/1280247035.db2.gz MDYZCIAMLIURNE-AWEZNQCLSA-N -1 0 337.441 2.786 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000846555581 1280248153 /nfs/dbraw/zinc/24/81/53/1280248153.db2.gz WPKQBXKSOKUUCF-GFCCVEGCSA-N -1 0 330.384 2.875 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000846536728 1280252368 /nfs/dbraw/zinc/25/23/68/1280252368.db2.gz YAKSKWXRZQWLLQ-NHYWBVRUSA-N -1 0 340.782 2.622 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846539803 1280255446 /nfs/dbraw/zinc/25/54/46/1280255446.db2.gz OAVBACICALJRKK-LLVKDONJSA-N -1 0 343.210 2.970 20 30 EFEDRM C#CCOc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000747222535 1280397828 /nfs/dbraw/zinc/39/78/28/1280397828.db2.gz DUHBAWDWKOPKMY-UHFFFAOYSA-N -1 0 337.451 2.570 20 30 EFEDRM C#C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)C1 ZINC000846765632 1280468164 /nfs/dbraw/zinc/46/81/64/1280468164.db2.gz CCKYQPKTBGEMIG-ZDUSSCGKSA-N -1 0 335.425 2.542 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(F)cc1F ZINC000805894814 1280850960 /nfs/dbraw/zinc/85/09/60/1280850960.db2.gz UWKISUQUKJBTPJ-UHFFFAOYSA-N -1 0 330.356 2.552 20 30 EFEDRM C[C@H](Cc1cncc2ccccc21)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000805898533 1280857222 /nfs/dbraw/zinc/85/72/22/1280857222.db2.gz OHDFSMWMJSYXML-CXAGYDPISA-N -1 0 346.390 2.739 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(C)c1 ZINC000805928621 1280900594 /nfs/dbraw/zinc/90/05/94/1280900594.db2.gz QKDFNGLOCGYUAZ-UHFFFAOYSA-N -1 0 338.429 2.673 20 30 EFEDRM COCCN(C)c1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000806558544 1281094802 /nfs/dbraw/zinc/09/48/02/1281094802.db2.gz GAGXQVRQACKETF-SOFGYWHQSA-N -1 0 340.379 2.759 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1cccc(C(=O)[O-])c1 ZINC000806559093 1281096187 /nfs/dbraw/zinc/09/61/87/1281096187.db2.gz UQKFRHPWKDYMHV-VOTSOKGWSA-N -1 0 331.349 2.914 20 30 EFEDRM CNC(=O)c1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)cc1 ZINC000806563457 1281096461 /nfs/dbraw/zinc/09/64/61/1281096461.db2.gz XICDFNQKTGJOCT-QXSWTLKVSA-N -1 0 335.359 2.884 20 30 EFEDRM CC(C)n1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)nn1 ZINC000806570426 1281098196 /nfs/dbraw/zinc/09/81/96/1281098196.db2.gz ZLDLZMKGFTXAFR-NTEUORMPSA-N -1 0 336.351 2.602 20 30 EFEDRM CC(C)n1cc(/C=C\C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)nn1 ZINC000806570958 1281099519 /nfs/dbraw/zinc/09/95/19/1281099519.db2.gz BBMXYARPFZJFSP-QDZRJHCZSA-N -1 0 329.356 2.607 20 30 EFEDRM C[C@@H](C#N)c1cccc(C(=O)Nc2nc[n-]c(=O)c2Br)c1 ZINC001148609536 1281652022 /nfs/dbraw/zinc/65/20/22/1281652022.db2.gz FLUTZXVPCIBZNX-QMMMGPOBSA-N -1 0 347.172 2.824 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(C3CC3)n2)n1 ZINC000747504265 1281742240 /nfs/dbraw/zinc/74/22/40/1281742240.db2.gz BSLIDXYTCBWIKP-SNVBAGLBSA-N -1 0 347.421 2.819 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808978082 1281979404 /nfs/dbraw/zinc/97/94/04/1281979404.db2.gz FSHREVINLDDBSS-NSHDSACASA-N -1 0 327.306 2.729 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000809008908 1282001224 /nfs/dbraw/zinc/00/12/24/1282001224.db2.gz LIPUAAPNOUHNOO-UHFFFAOYSA-N -1 0 335.759 2.617 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809066902 1282012150 /nfs/dbraw/zinc/01/21/50/1282012150.db2.gz CEWNRWVWYAEAET-UHFFFAOYSA-N -1 0 345.420 2.820 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809158566 1282068347 /nfs/dbraw/zinc/06/83/47/1282068347.db2.gz UHBAVICGFIKUFZ-WAPJZHGLSA-N -1 0 325.320 2.945 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)ccc1O ZINC000809157349 1282069155 /nfs/dbraw/zinc/06/91/55/1282069155.db2.gz JPBFPDNZRCYCHS-CLFYSBASSA-N -1 0 335.319 2.567 20 30 EFEDRM C[C@H](Oc1cccc(C=NNC[C@H]2CCCC2(F)F)c1)C(=O)[O-] ZINC000872407841 1287566576 /nfs/dbraw/zinc/56/65/76/1287566576.db2.gz FDGUCXIMQLFDHQ-WCQYABFASA-N -1 0 326.343 2.897 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1 ZINC000748003436 1287581059 /nfs/dbraw/zinc/58/10/59/1287581059.db2.gz UJGNBJGCVGUDIV-UHFFFAOYSA-N -1 0 343.774 2.560 20 30 EFEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc21 ZINC000810529675 1283324185 /nfs/dbraw/zinc/32/41/85/1283324185.db2.gz LSHCJUDCDPWYTH-MRXNPFEDSA-N -1 0 348.402 2.995 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810536976 1283360537 /nfs/dbraw/zinc/36/05/37/1283360537.db2.gz PPYJEQZQROPIHL-KRWDZBQOSA-N -1 0 338.407 2.977 20 30 EFEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)nc1 ZINC000810674450 1283485134 /nfs/dbraw/zinc/48/51/34/1283485134.db2.gz DXBBZNFRMPMXDI-UHFFFAOYSA-N -1 0 349.456 2.739 20 30 EFEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000810661268 1283509061 /nfs/dbraw/zinc/50/90/61/1283509061.db2.gz HPDMWTCCXGBRKM-UHFFFAOYSA-N -1 0 340.470 2.519 20 30 EFEDRM Cc1ccc2sc(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)cc2c1 ZINC000810693136 1283525949 /nfs/dbraw/zinc/52/59/49/1283525949.db2.gz UJAZYKIYOLZBAM-UHFFFAOYSA-N -1 0 348.449 2.963 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000810706304 1283543263 /nfs/dbraw/zinc/54/32/63/1283543263.db2.gz USMBAIGVGLRCEV-UHFFFAOYSA-N -1 0 349.411 2.869 20 30 EFEDRM Cc1nnc(N=NC[C@@H](C)c2cccc(Br)c2)[n-]c1=O ZINC000747627470 1283555715 /nfs/dbraw/zinc/55/57/15/1283555715.db2.gz FTQBQOHDQUXGRU-MRVPVSSYSA-N -1 0 336.193 2.850 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CC(c1ccccc1)c1ccccc1 ZINC000810780914 1283585713 /nfs/dbraw/zinc/58/57/13/1283585713.db2.gz WUSDCWNFUZIXHH-UHFFFAOYSA-N -1 0 341.432 2.678 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000810783748 1283587625 /nfs/dbraw/zinc/58/76/25/1283587625.db2.gz CTDZCKZICLEPPJ-UHFFFAOYSA-N -1 0 347.436 2.876 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000810785502 1283587669 /nfs/dbraw/zinc/58/76/69/1283587669.db2.gz JQJHYNPOIBSBKA-JKSUJKDBSA-N -1 0 343.489 2.611 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000810785452 1283587710 /nfs/dbraw/zinc/58/77/10/1283587710.db2.gz HXCKYWAJNJIODH-UHFFFAOYSA-N -1 0 348.251 2.785 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000810784286 1283587802 /nfs/dbraw/zinc/58/78/02/1283587802.db2.gz ZDVNHGPEZBJXMA-UHFFFAOYSA-N -1 0 337.397 2.637 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000810783873 1283588058 /nfs/dbraw/zinc/58/80/58/1283588058.db2.gz IOBUAGIJEBTNTF-UHFFFAOYSA-N -1 0 348.449 2.510 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000810774859 1283632861 /nfs/dbraw/zinc/63/28/61/1283632861.db2.gz OWCAXQNEJAPGGC-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000810777043 1283632975 /nfs/dbraw/zinc/63/29/75/1283632975.db2.gz SNJNOBKCVUCVLT-UHFFFAOYSA-N -1 0 345.804 2.777 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000810777036 1283633281 /nfs/dbraw/zinc/63/32/81/1283633281.db2.gz SJARBQLIRYUPMU-UHFFFAOYSA-N -1 0 339.482 2.546 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC000810776022 1283633299 /nfs/dbraw/zinc/63/32/99/1283633299.db2.gz FAKJRIAPZKQIBS-AWEZNQCLSA-N -1 0 327.833 2.549 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000810777646 1283634444 /nfs/dbraw/zinc/63/44/44/1283634444.db2.gz GZOXMYSITDLJBL-UHFFFAOYSA-N -1 0 333.453 2.666 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000810778511 1283635520 /nfs/dbraw/zinc/63/55/20/1283635520.db2.gz BMAYXGDYWKRVQB-VIFPVBQESA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000810777798 1283639022 /nfs/dbraw/zinc/63/90/22/1283639022.db2.gz PTRAMTCNVBEEHT-UHFFFAOYSA-N -1 0 341.841 2.946 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000810779843 1283647608 /nfs/dbraw/zinc/64/76/08/1283647608.db2.gz DBNHQUXDXRXISO-UHFFFAOYSA-N -1 0 341.860 2.768 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)CC1 ZINC000810979419 1283883341 /nfs/dbraw/zinc/88/33/41/1283883341.db2.gz BMRUYRGOEBJORY-UHFFFAOYSA-N -1 0 329.421 2.937 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)nn2C(CC)CC)CC1 ZINC000810979670 1283883396 /nfs/dbraw/zinc/88/33/96/1283883396.db2.gz HTMOXBPSWVJCJV-UHFFFAOYSA-N -1 0 339.461 2.721 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(\C)c2ccccc2OC)CC1 ZINC000810981447 1283896958 /nfs/dbraw/zinc/89/69/58/1283896958.db2.gz CDHIZRLFBJUPGI-OUKQBFOZSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)oc3ccc(OC)cc32)CC1 ZINC000810982945 1283907341 /nfs/dbraw/zinc/90/73/41/1283907341.db2.gz AEBMLEHNQJNQEW-UHFFFAOYSA-N -1 0 349.408 2.918 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2sc(C)nc2CC(C)C)CC1 ZINC000810982077 1283907378 /nfs/dbraw/zinc/90/73/78/1283907378.db2.gz LDFMCNHCDLFMKQ-UHFFFAOYSA-N -1 0 342.486 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2OC)CC1 ZINC000810983245 1283907647 /nfs/dbraw/zinc/90/76/47/1283907647.db2.gz NKASPROXCCGPEV-ZDUSSCGKSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000810982058 1283907696 /nfs/dbraw/zinc/90/76/96/1283907696.db2.gz KURYMPFNJXBSFX-UHFFFAOYSA-N -1 0 329.805 2.517 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccccc2CC)CC1 ZINC000810983623 1283907927 /nfs/dbraw/zinc/90/79/27/1283907927.db2.gz DJEDCLOUAWNIIU-JKSUJKDBSA-N -1 0 333.453 2.907 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2ccc(C)c(C)c2)CC1 ZINC000810985341 1283913449 /nfs/dbraw/zinc/91/34/49/1283913449.db2.gz ILVSSYFWVCLWOB-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000810985052 1283913507 /nfs/dbraw/zinc/91/35/07/1283913507.db2.gz VTSYGZAJTWAODQ-UHFFFAOYSA-N -1 0 329.805 2.517 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC000810986143 1283913741 /nfs/dbraw/zinc/91/37/41/1283913741.db2.gz PIYHRLPBXFLTJM-UHFFFAOYSA-N -1 0 332.425 2.574 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2SCCc3ccccc32)CC1 ZINC000810986185 1283913881 /nfs/dbraw/zinc/91/38/81/1283913881.db2.gz QJSZCQZADFMDGB-AWEZNQCLSA-N -1 0 337.466 2.572 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000810985687 1283914254 /nfs/dbraw/zinc/91/42/54/1283914254.db2.gz QJLRQBGDPGBKGG-UHFFFAOYSA-N -1 0 332.425 2.953 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000810985397 1283914383 /nfs/dbraw/zinc/91/43/83/1283914383.db2.gz KINJMQCYKNMWKP-GFCCVEGCSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(CC(C)C)cc2)CC1 ZINC000810988697 1283915229 /nfs/dbraw/zinc/91/52/29/1283915229.db2.gz PCPNILPJURBVIJ-UHFFFAOYSA-N -1 0 335.469 2.982 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000810986003 1283915900 /nfs/dbraw/zinc/91/59/00/1283915900.db2.gz WKAHCLYXIUVQGH-UHFFFAOYSA-N -1 0 339.360 2.935 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000810986123 1283915936 /nfs/dbraw/zinc/91/59/36/1283915936.db2.gz PCIICLICNOFULA-ZDUSSCGKSA-N -1 0 339.432 2.949 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000810988120 1283916584 /nfs/dbraw/zinc/91/65/84/1283916584.db2.gz JDYHWPVGOVRQRV-RYUDHWBXSA-N -1 0 325.455 2.715 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000810988114 1283917302 /nfs/dbraw/zinc/91/73/02/1283917302.db2.gz JDYHWPVGOVRQRV-NEPJUHHUSA-N -1 0 325.455 2.715 20 30 EFEDRM C=C[C@](C)(CC)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811190856 1284103621 /nfs/dbraw/zinc/10/36/21/1284103621.db2.gz VTNMQHMMIKFQLQ-GOSISDBHSA-N -1 0 332.352 2.599 20 30 EFEDRM C=CCC1(C(=O)OCC(=O)c2ccc(OC)c3c([O-])coc32)CCC1 ZINC000811193408 1284106782 /nfs/dbraw/zinc/10/67/82/1284106782.db2.gz DDZYDSVVDCDGLW-UHFFFAOYSA-N -1 0 344.363 2.743 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3ccccn3)c2)C(=O)O1 ZINC000747698085 1284238440 /nfs/dbraw/zinc/23/84/40/1284238440.db2.gz HHBKUYXMBMMNIH-OLHLWXQYSA-N -1 0 333.343 2.977 20 30 EFEDRM Cc1nnc(NN=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[n-]c1=O ZINC000811632155 1284446206 /nfs/dbraw/zinc/44/62/06/1284446206.db2.gz CARLLHHRSGBPKD-UHFFFAOYSA-N -1 0 343.130 2.547 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000811830808 1284660787 /nfs/dbraw/zinc/66/07/87/1284660787.db2.gz HAJMVLJCJRXULB-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM O=C1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1F ZINC000812444951 1285140775 /nfs/dbraw/zinc/14/07/75/1285140775.db2.gz PVXWWVMKXLQYLS-AOPUEWEHSA-N -1 0 343.314 2.664 20 30 EFEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C ZINC000813985048 1286234814 /nfs/dbraw/zinc/23/48/14/1286234814.db2.gz LCAXQEKEVHDTIA-OAHLLOKOSA-N -1 0 337.445 2.611 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814021983 1286241126 /nfs/dbraw/zinc/24/11/26/1286241126.db2.gz RTTLZWJKJNUBCH-NVXWUHKLSA-N -1 0 339.457 2.813 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000814012990 1286262356 /nfs/dbraw/zinc/26/23/56/1286262356.db2.gz MVKYBNZTOUVNQI-CQSZACIVSA-N -1 0 334.422 2.831 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cnn(CC(F)F)c2)c1 ZINC000814187237 1286392202 /nfs/dbraw/zinc/39/22/02/1286392202.db2.gz DFSSSGUOSVSKLB-SNAWJCMRSA-N -1 0 336.294 2.508 20 30 EFEDRM CS(=O)(=O)N(Cc1ccccc1)N=Cc1cccc(Cl)c1[O-] ZINC000814237042 1286434417 /nfs/dbraw/zinc/43/44/17/1286434417.db2.gz JKKAPSXFZBJFHR-UHFFFAOYSA-N -1 0 338.816 2.841 20 30 EFEDRM C=C[C@@H]1C[C@]1(Nc1ccccc1C(C)C)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170747535 1286560844 /nfs/dbraw/zinc/56/08/44/1286560844.db2.gz SAHUDMJJOGQYJC-FZKQIMNGSA-N -1 0 348.468 2.775 20 30 EFEDRM Cc1nc2ccccc2c(=O)n1N=Cc1cccc(C(=O)[O-])c1Cl ZINC000814700773 1286923567 /nfs/dbraw/zinc/92/35/67/1286923567.db2.gz CSYYWDJRGVWKNJ-UHFFFAOYSA-N -1 0 341.754 2.939 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814716029 1286961489 /nfs/dbraw/zinc/96/14/89/1286961489.db2.gz VTCAEDNLKVTNQO-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM O=C([O-])c1cccc(C=NNC(=S)Nc2cccnc2)c1Cl ZINC000814719753 1286966260 /nfs/dbraw/zinc/96/62/60/1286966260.db2.gz CJPCFJYIPRRRGY-UHFFFAOYSA-N -1 0 334.788 2.754 20 30 EFEDRM Cc1nnc(N=NC2CCc3cccc(Br)c3C2)[n-]c1=O ZINC000814735092 1286978860 /nfs/dbraw/zinc/97/88/60/1286978860.db2.gz PXIHRRCBXLPNKF-UHFFFAOYSA-N -1 0 348.204 2.605 20 30 EFEDRM CC(=NNC(=S)NC(C)(C)C)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814750739 1286993857 /nfs/dbraw/zinc/99/38/57/1286993857.db2.gz XLQIMYZJEVQLQM-NSHDSACASA-N -1 0 337.445 2.525 20 30 EFEDRM CC(C)CCNC(=S)NN=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814758632 1287003411 /nfs/dbraw/zinc/00/34/11/1287003411.db2.gz DIXKKTRFLGPHEO-UHFFFAOYSA-N -1 0 333.457 2.669 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495394 1287021416 /nfs/dbraw/zinc/02/14/16/1287021416.db2.gz PTTOOPQLNSWMSL-BQYQJAHWSA-N -1 0 331.335 2.980 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2cccc(/C=C/C(=O)[O-])c2)nc1C#N ZINC001174495961 1287021437 /nfs/dbraw/zinc/02/14/37/1287021437.db2.gz YDCPIHLAZFBGQN-SNAWJCMRSA-N -1 0 325.715 2.715 20 30 EFEDRM CC(N=Nc1cncc(Cl)n1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814798108 1287027708 /nfs/dbraw/zinc/02/77/08/1287027708.db2.gz ZOVAHLGHTLOUJQ-JTQLQIEISA-N -1 0 334.763 2.818 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ncccn1 ZINC000814797562 1287028392 /nfs/dbraw/zinc/02/83/92/1287028392.db2.gz KKOATSWSCSUXMY-UHFFFAOYSA-N -1 0 328.372 2.751 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nc2c(s1)CCC2 ZINC000814780996 1287034254 /nfs/dbraw/zinc/03/42/54/1287034254.db2.gz QDTFVJSPVYBENY-UHFFFAOYSA-N -1 0 328.422 2.513 20 30 EFEDRM O=S(=O)(Cc1ccccc1)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814815898 1287048506 /nfs/dbraw/zinc/04/85/06/1287048506.db2.gz FFHKXWJIAPCLOA-CQSZACIVSA-N -1 0 341.436 2.813 20 30 EFEDRM Cc1cc(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)nc(C)n1 ZINC000814807430 1287076186 /nfs/dbraw/zinc/07/61/86/1287076186.db2.gz VPWBXIYCEFCRFP-GFCCVEGCSA-N -1 0 328.372 2.781 20 30 EFEDRM CC(=NNCC[NH+]1CCCCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814808497 1287077123 /nfs/dbraw/zinc/07/71/23/1287077123.db2.gz NDNGTCJLAMHZSF-UHFFFAOYSA-N -1 0 347.459 2.730 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814831685 1287078202 /nfs/dbraw/zinc/07/82/02/1287078202.db2.gz MWVKJMAQBXCWQR-DGCLKSJQSA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@H]1CC(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000814838084 1287087618 /nfs/dbraw/zinc/08/76/18/1287087618.db2.gz AEBHERIJYRAIFO-NHYWBVRUSA-N -1 0 348.472 2.916 20 30 EFEDRM CC(N=Nc1nccnc1Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814850297 1287097692 /nfs/dbraw/zinc/09/76/92/1287097692.db2.gz HWUHNKLCDIRGJR-JTQLQIEISA-N -1 0 334.763 2.818 20 30 EFEDRM C[C@@H](NC(=S)NN=Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000814866336 1287107908 /nfs/dbraw/zinc/10/79/08/1287107908.db2.gz QGWJXWUNMKFDRY-MRVPVSSYSA-N -1 0 325.821 2.635 20 30 EFEDRM CC(=NNC(=S)N[C@H](C)C1CC1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814866111 1287108406 /nfs/dbraw/zinc/10/84/06/1287108406.db2.gz JILNDXHKDASHRX-ZYHUDNBSSA-N -1 0 349.456 2.525 20 30 EFEDRM C[C@H](NC(=S)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C)C1CC1 ZINC000814865925 1287109640 /nfs/dbraw/zinc/10/96/40/1287109640.db2.gz CQYCNQKJDJYRLZ-JFGNBEQYSA-N -1 0 325.478 2.762 20 30 EFEDRM CC(=NNC1CCOCC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814869340 1287109714 /nfs/dbraw/zinc/10/97/14/1287109714.db2.gz IWERATGHIGRTJR-UHFFFAOYSA-N -1 0 330.384 2.861 20 30 EFEDRM C[C@H](NC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C)C1CC1 ZINC000814865927 1287110141 /nfs/dbraw/zinc/11/01/41/1287110141.db2.gz CQYCNQKJDJYRLZ-SCVCMEIPSA-N -1 0 325.478 2.762 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174682804 1287112022 /nfs/dbraw/zinc/11/20/22/1287112022.db2.gz MTVHTZAGROPMLJ-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM COc1cc(Nc2c(C#N)cnn2C2CCOCC2)ccc1C(=O)[O-] ZINC001174684231 1287113095 /nfs/dbraw/zinc/11/30/95/1287113095.db2.gz HSXQFLAEPKKKRT-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1ccncc1 ZINC000814899628 1287139211 /nfs/dbraw/zinc/13/92/11/1287139211.db2.gz FSWVHIUTSPBENU-CQSZACIVSA-N -1 0 327.384 2.776 20 30 EFEDRM CC(=NN[C@@H]1CCCOC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814907859 1287146160 /nfs/dbraw/zinc/14/61/60/1287146160.db2.gz BQXBHMQEULYNCQ-CYBMUJFWSA-N -1 0 330.384 2.861 20 30 EFEDRM CC(=NNCc1ccc(C#N)cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814881836 1287149741 /nfs/dbraw/zinc/14/97/41/1287149741.db2.gz YYLWLBGLKRYNKX-AWEZNQCLSA-N -1 0 337.379 2.924 20 30 EFEDRM CC(=NN[C@@H](CO)c1ccccc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814920051 1287154068 /nfs/dbraw/zinc/15/40/68/1287154068.db2.gz YQQZDNPFBVRSFK-KSSFIOAISA-N -1 0 342.395 2.586 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNC[C@H]1CCSC1 ZINC000814935262 1287165697 /nfs/dbraw/zinc/16/56/97/1287165697.db2.gz JWPSZGGTHDDVBM-OAHLLOKOSA-N -1 0 336.457 2.801 20 30 EFEDRM CC(N=Nc1ncncc1F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814939945 1287169033 /nfs/dbraw/zinc/16/90/33/1287169033.db2.gz KCCMHMXIAZJDFP-UHFFFAOYSA-N -1 0 332.335 2.695 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ncncc1F ZINC000814939863 1287169139 /nfs/dbraw/zinc/16/91/39/1287169139.db2.gz GSLJPYZMDZDXMY-UHFFFAOYSA-N -1 0 346.362 2.890 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000814911200 1287173169 /nfs/dbraw/zinc/17/31/69/1287173169.db2.gz WWXJZIHKZWBLKA-NXEZZACHSA-N -1 0 331.401 2.889 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1cnn(C)c1 ZINC000814915408 1287173918 /nfs/dbraw/zinc/17/39/18/1287173918.db2.gz VEYWQAOSHUTGQZ-CYBMUJFWSA-N -1 0 330.388 2.693 20 30 EFEDRM CCN1c2ccc(C)cc2C(=N[N-]c2nc(-c3cccnc3)no2)C1=O ZINC000814949899 1287180660 /nfs/dbraw/zinc/18/06/60/1287180660.db2.gz XVTRQQLFKBWIQX-UHFFFAOYSA-N -1 0 348.366 2.623 20 30 EFEDRM Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NNCC(=O)[O-] ZINC000814957334 1287186934 /nfs/dbraw/zinc/18/69/34/1287186934.db2.gz ZONNNELBNQODQP-UHFFFAOYSA-N -1 0 334.379 2.856 20 30 EFEDRM CCOc1cc(C=NNCC(=O)[O-])ccc1OCc1ccccc1 ZINC000814957177 1287187331 /nfs/dbraw/zinc/18/73/31/1287187331.db2.gz VYHLPODOWZVEBC-UHFFFAOYSA-N -1 0 328.368 2.672 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000871652192 1287192355 /nfs/dbraw/zinc/19/23/55/1287192355.db2.gz ZFAXYKWYPSITFR-SNVBAGLBSA-N -1 0 346.305 2.928 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccn1C(C)C ZINC000815904920 1287874798 /nfs/dbraw/zinc/87/47/98/1287874798.db2.gz TWMMEIDFFYQJBS-MRXNPFEDSA-N -1 0 333.432 2.631 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815906910 1287875843 /nfs/dbraw/zinc/87/58/43/1287875843.db2.gz MMHRPGJGLHVIRR-SFHVURJKSA-N -1 0 346.386 2.844 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)o1 ZINC000815909246 1287879103 /nfs/dbraw/zinc/87/91/03/1287879103.db2.gz VRDMUUDNXNQDBY-NSHDSACASA-N -1 0 327.340 2.515 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815913469 1287905351 /nfs/dbraw/zinc/90/53/51/1287905351.db2.gz SNDMXTNIQHRWCC-CYBMUJFWSA-N -1 0 343.333 2.894 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000816014840 1287936440 /nfs/dbraw/zinc/93/64/40/1287936440.db2.gz PGTMSZZYIPGVEX-UHFFFAOYSA-N -1 0 340.351 2.560 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1 ZINC000816037893 1287948661 /nfs/dbraw/zinc/94/86/61/1287948661.db2.gz ZZGCBPSWJWDTQM-CYBMUJFWSA-N -1 0 331.759 2.584 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000816037007 1287948740 /nfs/dbraw/zinc/94/87/40/1287948740.db2.gz BFFWSXWIYZXZTH-CYBMUJFWSA-N -1 0 345.786 2.838 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584818 1288026342 /nfs/dbraw/zinc/02/63/42/1288026342.db2.gz QVRPFDMQAKKCJM-UHFFFAOYSA-N -1 0 335.367 2.872 20 30 EFEDRM COc1cc(C#N)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1OC ZINC001176677445 1288066438 /nfs/dbraw/zinc/06/64/38/1288066438.db2.gz WNADVNUPWFCMKQ-UHFFFAOYSA-N -1 0 343.295 2.925 20 30 EFEDRM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177369395 1288405957 /nfs/dbraw/zinc/40/59/57/1288405957.db2.gz OUTDESZAHAASQD-CYBMUJFWSA-N -1 0 342.395 2.708 20 30 EFEDRM N#Cc1cccc2c1CC[C@H]2NC(=O)CSc1n[n-]c(=S)s1 ZINC001177346315 1288412109 /nfs/dbraw/zinc/41/21/09/1288412109.db2.gz VYDKKTRULFSJFJ-LLVKDONJSA-N -1 0 348.478 2.594 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000794723817 1303025889 /nfs/dbraw/zinc/02/58/89/1303025889.db2.gz LHBCHWWEPIMYAM-WAYWQWQTSA-N -1 0 346.360 2.894 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821555573 1288754749 /nfs/dbraw/zinc/75/47/49/1288754749.db2.gz HYJABDUDTKNJRH-UHFFFAOYSA-N -1 0 342.848 2.803 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccccc1C(F)(F)F ZINC000870244286 1305221787 /nfs/dbraw/zinc/22/17/87/1305221787.db2.gz XAXREYFJIGGMMC-GFCCVEGCSA-N -1 0 349.312 2.963 20 30 EFEDRM Cc1oc(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)c(C#N)c1C ZINC000822235833 1288913485 /nfs/dbraw/zinc/91/34/85/1288913485.db2.gz YRTGBJMYUOGTDS-UHFFFAOYSA-N -1 0 348.742 2.923 20 30 EFEDRM O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-c2cccc(F)c2)s1 ZINC000823160648 1289231954 /nfs/dbraw/zinc/23/19/54/1289231954.db2.gz JCGIKQCYKIRPCK-GFCCVEGCSA-N -1 0 334.372 2.664 20 30 EFEDRM COc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1C#N ZINC000872851626 1289426163 /nfs/dbraw/zinc/42/61/63/1289426163.db2.gz BRPCZGOCGLTTAV-GOSISDBHSA-N -1 0 332.400 2.710 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CC(=O)NO[C@@H](C)C=C)c1ccc(C)cc1 ZINC000824033164 1289516192 /nfs/dbraw/zinc/51/61/92/1289516192.db2.gz DPHJFBOPSMHNID-YQQAZPJKSA-N -1 0 346.427 2.713 20 30 EFEDRM CC[C@H](Cc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000873517483 1289887950 /nfs/dbraw/zinc/88/79/50/1289887950.db2.gz YXKWJWZIDLPPPX-OAHLLOKOSA-N -1 0 336.457 2.560 20 30 EFEDRM N#Cc1cc(NC(=O)C2CCC(O)(C(F)(F)F)CC2)c([O-])cc1F ZINC001181733523 1289937267 /nfs/dbraw/zinc/93/72/67/1289937267.db2.gz UHNVAVDDQOKLOO-UHFFFAOYSA-N -1 0 346.280 2.825 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873582958 1289943114 /nfs/dbraw/zinc/94/31/14/1289943114.db2.gz APJJCRFJBHTTOT-UHFFFAOYSA-N -1 0 325.430 2.980 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000873644477 1289987389 /nfs/dbraw/zinc/98/73/89/1289987389.db2.gz PGRDDHSOWCXKJR-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CCOCc1cnc2n1CCN(Cc1cc(C#N)ccc1[O-])[C@H]2C ZINC001232676767 1312758936 /nfs/dbraw/zinc/75/89/36/1312758936.db2.gz CTNJPIDMYMZJNG-ZDUSSCGKSA-N -1 0 326.400 2.574 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCN(c3ccc(Cl)cc3)C(=O)C2)c1 ZINC001232678308 1312759594 /nfs/dbraw/zinc/75/95/94/1312759594.db2.gz UIVRBKCSEYFZPC-UHFFFAOYSA-N -1 0 341.798 2.766 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)Cc1ccc([S-])cc1 ZINC001183186415 1290306358 /nfs/dbraw/zinc/30/63/58/1290306358.db2.gz RUVWVRVWZBKZBL-UHFFFAOYSA-N -1 0 332.406 2.876 20 30 EFEDRM CCCCN(C)c1ccc(C(=O)[N-]S(=O)(=O)N(C)CCC)cc1 ZINC000091699283 1290334151 /nfs/dbraw/zinc/33/41/51/1290334151.db2.gz WJQOFIKSNANJJR-UHFFFAOYSA-N -1 0 341.477 2.814 20 30 EFEDRM N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001183616051 1290378741 /nfs/dbraw/zinc/37/87/41/1290378741.db2.gz KTYFBKZLPBXLRT-AWEZNQCLSA-N -1 0 348.362 2.604 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185392721 1290669251 /nfs/dbraw/zinc/66/92/51/1290669251.db2.gz WDHRZHGHPRQXQS-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NS(=O)(=O)c2cccc(F)c2C)c1 ZINC001185836969 1290769203 /nfs/dbraw/zinc/76/92/03/1290769203.db2.gz ZSPAMOXKQRTCNL-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1F ZINC001185906399 1290782279 /nfs/dbraw/zinc/78/22/79/1290782279.db2.gz RZCQHKXJJSSABN-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cc(C#N)cc1C ZINC001185906431 1290782998 /nfs/dbraw/zinc/78/29/98/1290782998.db2.gz VFWZYKKGYZFLAD-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM C=C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC001185938210 1290786176 /nfs/dbraw/zinc/78/61/76/1290786176.db2.gz SUIJMMNZSKKKRG-OAHLLOKOSA-N -1 0 331.393 2.899 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185945027 1290788596 /nfs/dbraw/zinc/78/85/96/1290788596.db2.gz AYFIWIFVAGASHV-UHFFFAOYSA-N -1 0 343.412 2.792 20 30 EFEDRM Cc1oc(C(C)C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000797244884 1290824432 /nfs/dbraw/zinc/82/44/32/1290824432.db2.gz OABPCAAJKCDYET-UHFFFAOYSA-N -1 0 338.429 2.855 20 30 EFEDRM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc([O-])c(F)c1 ZINC001186237699 1290907198 /nfs/dbraw/zinc/90/71/98/1290907198.db2.gz WKOABIMDXCYXDG-UHFFFAOYSA-N -1 0 345.713 2.791 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000126184927 1291037308 /nfs/dbraw/zinc/03/73/08/1291037308.db2.gz CVUXTSQNZKZEMN-UHFFFAOYSA-N -1 0 334.328 2.824 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1N1CCCCC1 ZINC001186855904 1291038635 /nfs/dbraw/zinc/03/86/35/1291038635.db2.gz HMXWFXIXRFBQED-UHFFFAOYSA-N -1 0 331.397 2.942 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000093242509 1291082488 /nfs/dbraw/zinc/08/24/88/1291082488.db2.gz XZUYJHYMPRZELG-ZRDIBKRKSA-N -1 0 332.381 2.786 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000796770183 1291134378 /nfs/dbraw/zinc/13/43/78/1291134378.db2.gz AOXZWQIIDIIRCN-SECBINFHSA-N -1 0 348.346 2.632 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C#N ZINC001187369327 1291152137 /nfs/dbraw/zinc/15/21/37/1291152137.db2.gz QXRKJUBUPWMQFJ-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC(F)(F)F ZINC001187369854 1291152575 /nfs/dbraw/zinc/15/25/75/1291152575.db2.gz YVSLDBIGGJWBDZ-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2nccs2)c(C(F)(F)F)c1 ZINC001187891412 1291265761 /nfs/dbraw/zinc/26/57/61/1291265761.db2.gz KJZCQTJCYPUJGC-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2nccs2)ccc1Br ZINC001187890233 1291266163 /nfs/dbraw/zinc/26/61/63/1291266163.db2.gz DZXSRKSCDXMUKC-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)ccc1C(N)=O ZINC001188017951 1291295594 /nfs/dbraw/zinc/29/55/94/1291295594.db2.gz MOQQTKXOJBLBJM-UHFFFAOYSA-N -1 0 342.461 2.896 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-][C@](C)(C(=O)OC)C(F)(F)F ZINC001188027689 1291299771 /nfs/dbraw/zinc/29/97/71/1291299771.db2.gz UIENCXMBFQCXEF-GFCCVEGCSA-N -1 0 347.399 2.760 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccoc2)ccc1N1CCCCC1 ZINC001188610189 1291421950 /nfs/dbraw/zinc/42/19/50/1291421950.db2.gz KELQGJUTALKTMA-UHFFFAOYSA-N -1 0 331.397 2.942 20 30 EFEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188976383 1291514780 /nfs/dbraw/zinc/51/47/80/1291514780.db2.gz HCPVUONXTLWZPR-UHFFFAOYSA-N -1 0 333.182 2.612 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189075569 1291574550 /nfs/dbraw/zinc/57/45/50/1291574550.db2.gz KYXIWGYWSRJARZ-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM C=C(C)c1cccc(C(C)(C)NC(=O)NC2C(=O)N=CN=C2[O-])c1 ZINC001189254725 1291637414 /nfs/dbraw/zinc/63/74/14/1291637414.db2.gz AIAWSEMCHWYRIZ-UHFFFAOYSA-N -1 0 328.372 2.978 20 30 EFEDRM Cc1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)n1C ZINC000775233470 1291658194 /nfs/dbraw/zinc/65/81/94/1291658194.db2.gz NLWCGFZJGNVFFY-IUXPMGMMSA-N -1 0 335.747 2.580 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189274711 1291662704 /nfs/dbraw/zinc/66/27/04/1291662704.db2.gz NNKFEVWPAMGQKL-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309008 1291667865 /nfs/dbraw/zinc/66/78/65/1291667865.db2.gz GPTGJHFWEWHODX-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189667660 1291793188 /nfs/dbraw/zinc/79/31/88/1291793188.db2.gz NIPMTJWQWFLQHE-UHFFFAOYSA-N -1 0 347.396 2.614 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000775295611 1291821584 /nfs/dbraw/zinc/82/15/84/1291821584.db2.gz LFXZGAHFMIMQAL-UHFFFAOYSA-N -1 0 329.377 2.530 20 30 EFEDRM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN(O)C1=O ZINC000878858387 1291827196 /nfs/dbraw/zinc/82/71/96/1291827196.db2.gz UGWXCAOGDXCYKZ-JTQLQIEISA-N -1 0 331.294 2.516 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189790005 1291863478 /nfs/dbraw/zinc/86/34/78/1291863478.db2.gz CVTYJEXZNKMWNR-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189826707 1291884395 /nfs/dbraw/zinc/88/43/95/1291884395.db2.gz DWCCAKFHHSOODZ-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286542 1291940854 /nfs/dbraw/zinc/94/08/54/1291940854.db2.gz JAIQAHBQZFJFDC-UHFFFAOYSA-N -1 0 330.319 2.687 20 30 EFEDRM N#C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Br)ccc1[S-] ZINC001189949912 1291943582 /nfs/dbraw/zinc/94/35/82/1291943582.db2.gz AKQUJRRUCUWRAK-IUCAKERBSA-N -1 0 329.194 2.814 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)ccc1F ZINC001190066859 1291966897 /nfs/dbraw/zinc/96/68/97/1291966897.db2.gz UODATVQGKXPFDM-UHFFFAOYSA-N -1 0 347.327 2.648 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1Cl ZINC001190133707 1291998800 /nfs/dbraw/zinc/99/88/00/1291998800.db2.gz GAUNZSNXQRQXOC-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190181600 1292048934 /nfs/dbraw/zinc/04/89/34/1292048934.db2.gz OLZCHCPHOPMKAM-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ncc(F)cc2F)cc1Cl ZINC001190194672 1292059847 /nfs/dbraw/zinc/05/98/47/1292059847.db2.gz PVVCDQFTKFJKCJ-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190347428 1292127972 /nfs/dbraw/zinc/12/79/72/1292127972.db2.gz CWJVLKZCLVUSDJ-LBPRGKRZSA-N -1 0 326.299 2.647 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127833321 1292175751 /nfs/dbraw/zinc/17/57/51/1292175751.db2.gz FQNTZORZZKOLFN-STQMWFEESA-N -1 0 341.392 2.956 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n(CC2CCC2)n1 ZINC001190619342 1292228755 /nfs/dbraw/zinc/22/87/55/1292228755.db2.gz IJZWZDZQMJJIHI-UHFFFAOYSA-N -1 0 348.403 2.803 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)c1 ZINC001190617970 1292229281 /nfs/dbraw/zinc/22/92/81/1292229281.db2.gz XFGGJCNWXWDZIJ-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncnc3sccc32)c1 ZINC001190611199 1292247825 /nfs/dbraw/zinc/24/78/25/1292247825.db2.gz LHKCYULEATUZIA-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190647730 1292263292 /nfs/dbraw/zinc/26/32/92/1292263292.db2.gz ISTFQZXIFUXJKX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1OC ZINC001190647919 1292264177 /nfs/dbraw/zinc/26/41/77/1292264177.db2.gz MPVNCILHPUQALR-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190650744 1292264729 /nfs/dbraw/zinc/26/47/29/1292264729.db2.gz KXGIMKNPVDQGLG-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190650891 1292265606 /nfs/dbraw/zinc/26/56/06/1292265606.db2.gz NVTCQCMDZTVTJP-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001190655353 1292268693 /nfs/dbraw/zinc/26/86/93/1292268693.db2.gz DTPODZZBNDMKNX-INIZCTEOSA-N -1 0 346.383 2.868 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)OC)CC1 ZINC001190766025 1292305296 /nfs/dbraw/zinc/30/52/96/1292305296.db2.gz BXUOAWFUGRNNRX-UHFFFAOYSA-N -1 0 329.805 2.977 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)OC)CC1 ZINC001190805685 1292323446 /nfs/dbraw/zinc/32/34/46/1292323446.db2.gz SLUPGNJTPANBQT-UHFFFAOYSA-N -1 0 331.340 2.602 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cccc3c2C(=O)N(C2CC2)C3)CC1 ZINC001190815570 1292325060 /nfs/dbraw/zinc/32/50/60/1292325060.db2.gz PZUGEEHYJBJTCI-UHFFFAOYSA-N -1 0 332.425 2.655 20 30 EFEDRM C=CCC1(S(=O)(=O)NC2(c3ccccc3Cl)COC2)CC1 ZINC001190836295 1292334956 /nfs/dbraw/zinc/33/49/56/1292334956.db2.gz OQNITKOUZIEEEU-UHFFFAOYSA-N -1 0 327.833 2.594 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)OCC)CC1 ZINC001190813490 1292346372 /nfs/dbraw/zinc/34/63/72/1292346372.db2.gz JJSUGGXMMDYUPD-UHFFFAOYSA-N -1 0 339.413 2.722 20 30 EFEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccncc3)n2)s1 ZINC001190862727 1292351350 /nfs/dbraw/zinc/35/13/50/1292351350.db2.gz NOEVUWUFBCNDJD-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190894269 1292369067 /nfs/dbraw/zinc/36/90/67/1292369067.db2.gz YXPLNFWVYSOTDT-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2noc3cccnc23)c1 ZINC001190932341 1292374121 /nfs/dbraw/zinc/37/41/21/1292374121.db2.gz IOQBLPAQIPGNDX-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2CC2CC2)c1 ZINC001190939045 1292377776 /nfs/dbraw/zinc/37/77/76/1292377776.db2.gz MDXQRIGZNRQBQA-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn3nccc23)c1 ZINC001190942460 1292380092 /nfs/dbraw/zinc/38/00/92/1292380092.db2.gz IBZYONOAKWETND-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C#N ZINC001190969665 1292403684 /nfs/dbraw/zinc/40/36/84/1292403684.db2.gz HAXMQCHHAPXJPO-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2O)c1 ZINC001190969942 1292404406 /nfs/dbraw/zinc/40/44/06/1292404406.db2.gz UFGZGPRJOOBLAA-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cn1ncc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)ccc21 ZINC001190971763 1292405199 /nfs/dbraw/zinc/40/51/99/1292405199.db2.gz SLYDNJSZLQCLSP-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c1 ZINC001190972744 1292407643 /nfs/dbraw/zinc/40/76/43/1292407643.db2.gz HRECGSNAHRACKF-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CC3)c1 ZINC001190986013 1292413989 /nfs/dbraw/zinc/41/39/89/1292413989.db2.gz KOTKSOQALGSSNP-HNNXBMFYSA-N -1 0 348.811 2.992 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)c1 ZINC001190986014 1292414240 /nfs/dbraw/zinc/41/42/40/1292414240.db2.gz KOTKSOQALGSSNP-OAHLLOKOSA-N -1 0 348.811 2.992 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)cc1 ZINC001191410711 1292537715 /nfs/dbraw/zinc/53/77/15/1292537715.db2.gz FBZYENQIWJBPAN-UHFFFAOYSA-N -1 0 348.380 2.746 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(COc2ccc(C)nc2)c1 ZINC000114618068 1312934000 /nfs/dbraw/zinc/93/40/00/1312934000.db2.gz CIPJKARIGGJYIZ-GOSISDBHSA-N -1 0 349.390 2.594 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccnc(C#N)c2)c1Cl ZINC001191729136 1292624940 /nfs/dbraw/zinc/62/49/40/1292624940.db2.gz VXLXMQAPTPRNQC-UHFFFAOYSA-N -1 0 342.207 2.791 20 30 EFEDRM N#C[C@@H](NC(=O)c1nc(Br)ccc1[O-])c1ccccc1 ZINC001191733655 1292645793 /nfs/dbraw/zinc/64/57/93/1292645793.db2.gz LANNVOUDLPSUAY-SNVBAGLBSA-N -1 0 332.157 2.544 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001191793452 1292666165 /nfs/dbraw/zinc/66/61/65/1292666165.db2.gz UULLMDQCDBASEF-UHFFFAOYSA-N -1 0 335.360 2.600 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1F ZINC001192040738 1292757540 /nfs/dbraw/zinc/75/75/40/1292757540.db2.gz LRZWIAYGWDUZNB-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM COc1cc(C(C)C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1C ZINC000903622444 1312959748 /nfs/dbraw/zinc/95/97/48/1312959748.db2.gz VXCAPGNBKVMGHU-UHFFFAOYSA-N -1 0 348.428 2.533 20 30 EFEDRM C#C[C@@H](C)Oc1cc([O-])cc2occ(-c3ccc(O)cc3O)c(=O)c12 ZINC001233573556 1312960189 /nfs/dbraw/zinc/96/01/89/1312960189.db2.gz RXRXLORHEWJLDH-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM CC[C@H]1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000796320200 1292915153 /nfs/dbraw/zinc/91/51/53/1292915153.db2.gz FLZFEGXEYMBNBA-FZMZJTMJSA-N -1 0 328.372 2.566 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1C#N ZINC001192570302 1292916041 /nfs/dbraw/zinc/91/60/41/1292916041.db2.gz COOYWEQEAXDKNG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1n[n-]c(=O)cc1Cl ZINC001233591499 1312963977 /nfs/dbraw/zinc/96/39/77/1312963977.db2.gz XRNFHOHUASHWPX-SNVBAGLBSA-N -1 0 325.151 2.949 20 30 EFEDRM C#Cc1ccccc1NS(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192648244 1292953645 /nfs/dbraw/zinc/95/36/45/1292953645.db2.gz KOVAETSUIPNJIJ-UHFFFAOYSA-N -1 0 345.376 2.566 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2cc(O)cc(F)c2F)CC1 ZINC001192651267 1292956713 /nfs/dbraw/zinc/95/67/13/1292956713.db2.gz DEUOEEQONOGRNZ-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM C=C(C)c1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192726334 1293025928 /nfs/dbraw/zinc/02/59/28/1293025928.db2.gz SNRDZHNGFZDNEZ-UHFFFAOYSA-N -1 0 347.392 2.984 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1ccc([O-])c(F)c1F ZINC001192843287 1293079644 /nfs/dbraw/zinc/07/96/44/1293079644.db2.gz UPUVCABFHWZTNI-UHFFFAOYSA-N -1 0 332.306 2.741 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)c([O-])cc1F ZINC001192851854 1293080414 /nfs/dbraw/zinc/08/04/14/1293080414.db2.gz RGPPNKCYDVCRIC-UHFFFAOYSA-N -1 0 341.220 2.949 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cnccc2Cl)cc1F ZINC001192902826 1293094581 /nfs/dbraw/zinc/09/45/81/1293094581.db2.gz RXFYYXINJBSIDE-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CCc1c(C)nc2sc(C#N)c([N-]S(=O)(=O)CC#N)c2c1C ZINC001192950645 1293109498 /nfs/dbraw/zinc/10/94/98/1293109498.db2.gz AONCLVCCLSBTTD-UHFFFAOYSA-N -1 0 334.426 2.613 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001192934765 1293114323 /nfs/dbraw/zinc/11/43/23/1293114323.db2.gz FFHCAAYBLLMPDL-UHFFFAOYSA-N -1 0 331.275 2.626 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001192982820 1293116002 /nfs/dbraw/zinc/11/60/02/1293116002.db2.gz ZGJRTOLOYMVAFX-UHFFFAOYSA-N -1 0 349.799 2.858 20 30 EFEDRM CC(C)(C)OC(=O)Nc1c(Cl)cccc1[N-]S(=O)(=O)CC#N ZINC001192985636 1293117242 /nfs/dbraw/zinc/11/72/42/1293117242.db2.gz KBJBKRIABSUASC-UHFFFAOYSA-N -1 0 345.808 2.952 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)CC#N)c(NC(=O)OC(C)(C)C)c1C ZINC001192987706 1293118228 /nfs/dbraw/zinc/11/82/28/1293118228.db2.gz BSWGFYHNTIIIST-UHFFFAOYSA-N -1 0 339.417 2.916 20 30 EFEDRM N#CCS(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001192995215 1293120869 /nfs/dbraw/zinc/12/08/69/1293120869.db2.gz VROQGWOFIFKZSY-SECBINFHSA-N -1 0 346.252 2.752 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(Br)ccc1C(F)(F)F ZINC001192978777 1293130809 /nfs/dbraw/zinc/13/08/09/1293130809.db2.gz FYHBRTXUNVDEBG-UHFFFAOYSA-N -1 0 343.124 2.733 20 30 EFEDRM CC(=O)c1cc(Cl)c([N-]S(=O)(=O)CC#N)c(C(F)(F)F)c1 ZINC001192980153 1293131373 /nfs/dbraw/zinc/13/13/73/1293131373.db2.gz DFBLWHIWDHXGNP-UHFFFAOYSA-N -1 0 340.710 2.827 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(C)cc(C#N)cc1Cl ZINC001193052586 1293160878 /nfs/dbraw/zinc/16/08/78/1293160878.db2.gz VXIPJLXMWYCHSA-UHFFFAOYSA-N -1 0 344.820 2.604 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2ccc(Br)cc2c1 ZINC001193106919 1293171294 /nfs/dbraw/zinc/17/12/94/1293171294.db2.gz LGZZCMBWUOPHFQ-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001193107250 1293171323 /nfs/dbraw/zinc/17/13/23/1293171323.db2.gz RVIWOJNMIRHRDN-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2ccc(C(F)(F)F)cc2c1 ZINC001193107251 1293171827 /nfs/dbraw/zinc/17/18/27/1293171827.db2.gz RVIWOJNMIRHRDN-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1F ZINC001193146243 1293185906 /nfs/dbraw/zinc/18/59/06/1293185906.db2.gz JPBDXPNIDZAXSV-RXMQYKEDSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(OC(F)(F)F)c1 ZINC001193151940 1293187078 /nfs/dbraw/zinc/18/70/78/1293187078.db2.gz XFXWBPIBCIULTI-LURJTMIESA-N -1 0 328.699 2.892 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1NC(=O)OC(C)(C)C ZINC001193151829 1293187083 /nfs/dbraw/zinc/18/70/83/1293187083.db2.gz UYJXHKHIZRPEQY-JTQLQIEISA-N -1 0 325.390 2.687 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001193157463 1293188911 /nfs/dbraw/zinc/18/89/11/1293188911.db2.gz FCLCTENGAIUNFK-JTQLQIEISA-N -1 0 349.799 2.620 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)cc2ncccc12 ZINC001193158853 1293189067 /nfs/dbraw/zinc/18/90/67/1293189067.db2.gz VNUDLDRNJIGLBL-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ncccc2c(C(F)(F)F)c1 ZINC001193159041 1293190138 /nfs/dbraw/zinc/19/01/38/1293190138.db2.gz ZDJBQKQEEREHMS-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)C(F)(F)F ZINC001193160482 1293190210 /nfs/dbraw/zinc/19/02/10/1293190210.db2.gz DGGYDMFIENPYMI-ZCFIWIBFSA-N -1 0 340.710 2.739 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1C#N ZINC001193229376 1293225961 /nfs/dbraw/zinc/22/59/61/1293225961.db2.gz ILRMYVSCGVILAL-UHFFFAOYSA-N -1 0 345.742 2.834 20 30 EFEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193279609 1293232300 /nfs/dbraw/zinc/23/23/00/1293232300.db2.gz IHTDJGINBWWYRC-SECBINFHSA-N -1 0 335.212 2.786 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(Cl)c1 ZINC001193307999 1293248090 /nfs/dbraw/zinc/24/80/90/1293248090.db2.gz NPIOAMOTVHKCMO-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM COc1ccc(Nc2cc(F)c(C#N)c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001203678713 1312988118 /nfs/dbraw/zinc/98/81/18/1312988118.db2.gz RBDPEAAEDKAVQB-UHFFFAOYSA-N -1 0 340.307 2.835 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)c(Cl)c1 ZINC001193349371 1293266769 /nfs/dbraw/zinc/26/67/69/1293266769.db2.gz AEFOERQWOPPBRU-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C#N)c1 ZINC001193427051 1293305230 /nfs/dbraw/zinc/30/52/30/1293305230.db2.gz CNWJLWXQIQJJRX-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)ccc1[O-] ZINC001193497797 1293325151 /nfs/dbraw/zinc/32/51/51/1293325151.db2.gz AJGFCFDJSDBHOK-UHFFFAOYSA-N -1 0 332.241 2.802 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2ccc([O-])c(C#N)c2)c(C(C)=O)c1 ZINC001193504952 1293336346 /nfs/dbraw/zinc/33/63/46/1293336346.db2.gz HWZLETISKBAKHE-UHFFFAOYSA-N -1 0 338.319 2.505 20 30 EFEDRM COC(=O)C1(c2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc2)CC1 ZINC001193504978 1293336517 /nfs/dbraw/zinc/33/65/17/1293336517.db2.gz IEZSUEZFRRLWPF-UHFFFAOYSA-N -1 0 336.347 2.721 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(-n3ccccc3=O)cc2)ccc1[O-] ZINC001193505748 1293336667 /nfs/dbraw/zinc/33/66/67/1293336667.db2.gz MZNPVZWEUWZITN-UHFFFAOYSA-N -1 0 331.331 2.667 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(-c3cc(CO)on3)cc2)ccc1[O-] ZINC001193513213 1293341421 /nfs/dbraw/zinc/34/14/21/1293341421.db2.gz ZQPBQLRELCHEPZ-UHFFFAOYSA-N -1 0 335.319 2.663 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC001193636725 1293379843 /nfs/dbraw/zinc/37/98/43/1293379843.db2.gz ZOXZULIMBGAZJJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2csc3ncccc23)c1 ZINC001193641235 1293380494 /nfs/dbraw/zinc/38/04/94/1293380494.db2.gz UOZBEKSMCHSIKB-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)ncc2C)c1 ZINC001193644261 1293384632 /nfs/dbraw/zinc/38/46/32/1293384632.db2.gz CMUKSSVUFSSNHU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Br)nc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193643124 1293385289 /nfs/dbraw/zinc/38/52/89/1293385289.db2.gz WUYQDLZLFPKBQL-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC001193644850 1293385787 /nfs/dbraw/zinc/38/57/87/1293385787.db2.gz RZKZUJSPKNDJHR-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)c1[O-] ZINC001193647318 1293392159 /nfs/dbraw/zinc/39/21/59/1293392159.db2.gz ZRWDQXUQPOQHFG-ZDUSSCGKSA-N -1 0 336.273 2.761 20 30 EFEDRM COC(=O)c1cnc2ccc(NC(=O)c3cccc(C#N)c3[O-])cc2c1 ZINC001193652667 1293395598 /nfs/dbraw/zinc/39/55/98/1293395598.db2.gz LNKNVEXNUQPIHO-UHFFFAOYSA-N -1 0 347.330 2.851 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(O)cc2Br)c1[O-] ZINC001193653008 1293397672 /nfs/dbraw/zinc/39/76/72/1293397672.db2.gz RUCDGDZBYBANTH-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnn2)c1[O-] ZINC001193658978 1293398068 /nfs/dbraw/zinc/39/80/68/1293398068.db2.gz IFTFQJAUJKJIHF-QGZVFWFLSA-N -1 0 330.347 2.573 20 30 EFEDRM CN(CCCCNC(=O)c1cccc(C#N)c1[O-])C(=O)OC(C)(C)C ZINC001193657785 1293399550 /nfs/dbraw/zinc/39/95/50/1293399550.db2.gz FSSJTJUOHALRHK-UHFFFAOYSA-N -1 0 347.415 2.641 20 30 EFEDRM CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c(O)c1 ZINC001193681240 1293407708 /nfs/dbraw/zinc/40/77/08/1293407708.db2.gz ULAOXKNZYUQVQK-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3sncc3c2)c1 ZINC001193681399 1293407889 /nfs/dbraw/zinc/40/78/89/1293407889.db2.gz WZWZNDVWQKXUCB-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)ccc2C(C)=O)c1 ZINC001193688194 1293409980 /nfs/dbraw/zinc/40/99/80/1293409980.db2.gz WUPMDXVLXBVHFL-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)c2ccccc12 ZINC001193834586 1293456881 /nfs/dbraw/zinc/45/68/81/1293456881.db2.gz QIOUBYHVVCTZPM-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)c2ccccc12 ZINC001193833089 1293456898 /nfs/dbraw/zinc/45/68/98/1293456898.db2.gz KKQYZGFVRPQFPH-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1N ZINC001193930183 1293480550 /nfs/dbraw/zinc/48/05/50/1293480550.db2.gz YAFAYNRIVQYROY-UHFFFAOYSA-N -1 0 341.314 2.960 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ncn(-c3ccccc3)n2)c1 ZINC000131202650 1293504607 /nfs/dbraw/zinc/50/46/07/1293504607.db2.gz OHVKVWOSYICDAG-MRXNPFEDSA-N -1 0 345.362 2.537 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)cc1Br ZINC000131229582 1293506307 /nfs/dbraw/zinc/50/63/07/1293506307.db2.gz PBWLFKJGSNSOMH-GFCCVEGCSA-N -1 0 337.217 2.913 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131337021 1293521946 /nfs/dbraw/zinc/52/19/46/1293521946.db2.gz MNSGJRJDCFUTDN-GFCCVEGCSA-N -1 0 340.408 2.586 20 30 EFEDRM COC(=O)c1cc(F)cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001194135103 1293527827 /nfs/dbraw/zinc/52/78/27/1293527827.db2.gz ADCCIECHNWOFRF-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194101197 1293532175 /nfs/dbraw/zinc/53/21/75/1293532175.db2.gz WSNIQXABVOWJJX-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c(C#N)n1 ZINC001194145513 1293533654 /nfs/dbraw/zinc/53/36/54/1293533654.db2.gz HEROVFVTWWKEPM-UHFFFAOYSA-N -1 0 344.421 2.821 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)cc(O)cc1F ZINC001273671515 1293539805 /nfs/dbraw/zinc/53/98/05/1293539805.db2.gz ISXIXARYKHYRFL-IAGOWNOFSA-N -1 0 336.382 2.812 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@](C)(C#N)CC(C)C ZINC001194278888 1293565079 /nfs/dbraw/zinc/56/50/79/1293565079.db2.gz NJHYJHVFUAOIPO-GOSISDBHSA-N -1 0 326.400 2.945 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@](C)(C#N)CC(C)C ZINC001194278889 1293565228 /nfs/dbraw/zinc/56/52/28/1293565228.db2.gz NJHYJHVFUAOIPO-SFHVURJKSA-N -1 0 326.400 2.945 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C#N ZINC001194255172 1293572052 /nfs/dbraw/zinc/57/20/52/1293572052.db2.gz WJUMSTKDMKTBKZ-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM COC(=O)c1cc(C(=O)Nc2ccccc2-c2ccc(C#N)cc2)n[n-]1 ZINC001194288881 1293589935 /nfs/dbraw/zinc/58/99/35/1293589935.db2.gz PWIKFBJNMLTEJM-UHFFFAOYSA-N -1 0 346.346 2.987 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194295016 1293592819 /nfs/dbraw/zinc/59/28/19/1293592819.db2.gz RJLPVYIPFXXVQQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194293693 1293592924 /nfs/dbraw/zinc/59/29/24/1293592924.db2.gz DXLHPHHZMHZKEI-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194537737 1293661000 /nfs/dbraw/zinc/66/10/00/1293661000.db2.gz CLOJUYPZKJVIGI-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1sc2ccccc2c1C#N ZINC001194680036 1293695593 /nfs/dbraw/zinc/69/55/93/1293695593.db2.gz ZKNKWDXNUIFBGX-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194799505 1293718903 /nfs/dbraw/zinc/71/89/03/1293718903.db2.gz QSIZSUQSKZDYGV-UHFFFAOYSA-N -1 0 346.330 2.830 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194980685 1293765914 /nfs/dbraw/zinc/76/59/14/1293765914.db2.gz IBGBAIWFHMMIJV-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2c(C#N)cnc3ccnn32)c1 ZINC001195120093 1293812398 /nfs/dbraw/zinc/81/23/98/1293812398.db2.gz JHDCIPNZHPNZHI-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N ZINC001195276571 1293872971 /nfs/dbraw/zinc/87/29/71/1293872971.db2.gz NORDQTLQHQMBNP-UHFFFAOYSA-N -1 0 346.799 2.896 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c([O-])c1 ZINC001195733561 1294004995 /nfs/dbraw/zinc/00/49/95/1294004995.db2.gz QNHVMKJJAPGXGV-QPJJXVBHSA-N -1 0 347.418 2.735 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)cn1 ZINC001195695450 1294005624 /nfs/dbraw/zinc/00/56/24/1294005624.db2.gz SQAHKOLBYCXNEX-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(-c3cc(CO)on3)cc2)c([O-])c1 ZINC001195758067 1294014412 /nfs/dbraw/zinc/01/44/12/1294014412.db2.gz IYKVHJXOWWBYRA-UHFFFAOYSA-N -1 0 335.319 2.663 20 30 EFEDRM COC(=O)[C@H]1CCc2cc(NC(=O)c3ccc(C#N)cc3[O-])ccc21 ZINC001195758141 1294014536 /nfs/dbraw/zinc/01/45/36/1294014536.db2.gz JWTROXKRRSGHBF-HNNXBMFYSA-N -1 0 336.347 2.719 20 30 EFEDRM COC(=O)c1cc(F)c(NC(=O)c2ccc(C#N)cc2[O-])c(C)c1F ZINC001195758750 1294014807 /nfs/dbraw/zinc/01/48/07/1294014807.db2.gz RJTLGQJKOLPUGD-UHFFFAOYSA-N -1 0 346.289 2.889 20 30 EFEDRM COc1cc(OC)cc([C@H](C)NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195765254 1294017930 /nfs/dbraw/zinc/01/79/30/1294017930.db2.gz YYTCYYDHMDHTLU-NSHDSACASA-N -1 0 326.352 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(-c3ncccn3)cc2)c([O-])c1 ZINC001195768050 1294019284 /nfs/dbraw/zinc/01/92/84/1294019284.db2.gz DKSVRXYMWDXPAF-UHFFFAOYSA-N -1 0 330.347 2.651 20 30 EFEDRM CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2[O-])ccn1CC ZINC001195741699 1294025583 /nfs/dbraw/zinc/02/55/83/1294025583.db2.gz WMJQLIXJAMPHPF-UHFFFAOYSA-N -1 0 327.340 2.514 20 30 EFEDRM COc1cc(NC(=O)c2ccc(C#N)cc2[O-])ncc1C(F)(F)F ZINC001195741202 1294025979 /nfs/dbraw/zinc/02/59/79/1294025979.db2.gz QLSOLGGNTQCGPO-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2O)c([O-])c1 ZINC001195750955 1294029044 /nfs/dbraw/zinc/02/90/44/1294029044.db2.gz PKEKYTLLLQIQTC-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(C#N)cc3[O-])C2)cc1 ZINC001195751827 1294029295 /nfs/dbraw/zinc/02/92/95/1294029295.db2.gz YFZQVWIRQXZUEA-KRWDZBQOSA-N -1 0 347.374 2.819 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC3(Cc4ccccc4O3)CC2)c([O-])c1 ZINC001195751298 1294029950 /nfs/dbraw/zinc/02/99/50/1294029950.db2.gz RGPFCMNDBJXTNT-UHFFFAOYSA-N -1 0 334.375 2.874 20 30 EFEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195808383 1294045458 /nfs/dbraw/zinc/04/54/58/1294045458.db2.gz YJWLYWFZATUYFR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM O=C1NCCCN1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000884447412 1294141949 /nfs/dbraw/zinc/14/19/49/1294141949.db2.gz XGXFIMZSMOMSSS-UHFFFAOYSA-N -1 0 332.585 2.557 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c2cccnc12 ZINC001196250555 1294171444 /nfs/dbraw/zinc/17/14/44/1294171444.db2.gz HOHOBHAEGWTXEZ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1F ZINC001196250810 1294171451 /nfs/dbraw/zinc/17/14/51/1294171451.db2.gz RPNYJXQYNPSHEP-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc(F)c1F ZINC001196245783 1294183715 /nfs/dbraw/zinc/18/37/15/1294183715.db2.gz SMYWFPBFNFMDSU-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245880 1294183735 /nfs/dbraw/zinc/18/37/35/1294183735.db2.gz FLBWPFUYYLVTHL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246118 1294183779 /nfs/dbraw/zinc/18/37/79/1294183779.db2.gz ZFHGLRAVKOZLQC-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM C=CC(C)(C)CC(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000884648773 1294202073 /nfs/dbraw/zinc/20/20/73/1294202073.db2.gz HPDYHYMMKJFBGB-UHFFFAOYSA-N -1 0 349.349 2.692 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])s1 ZINC001273718626 1294205648 /nfs/dbraw/zinc/20/56/48/1294205648.db2.gz HAZLCAGLGPYIBN-KRWDZBQOSA-N -1 0 334.441 2.589 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121451447 1294291884 /nfs/dbraw/zinc/29/18/84/1294291884.db2.gz WUALVGWFKYOTGR-GFCCVEGCSA-N -1 0 326.274 2.530 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680593 1294315310 /nfs/dbraw/zinc/31/53/10/1294315310.db2.gz SVKLXARUJPVAPT-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cn1 ZINC001196648535 1294318314 /nfs/dbraw/zinc/31/83/14/1294318314.db2.gz WQYVQNNQFSUBCP-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1noc2cnccc12 ZINC001196650733 1294319598 /nfs/dbraw/zinc/31/95/98/1294319598.db2.gz YCUJUKQIIDAIFT-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196652043 1294320383 /nfs/dbraw/zinc/32/03/83/1294320383.db2.gz QIBBTYBXKKAOSG-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn2ccnc2c1 ZINC001196651870 1294320390 /nfs/dbraw/zinc/32/03/90/1294320390.db2.gz LFAANTJCGDZGKO-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001196652072 1294320641 /nfs/dbraw/zinc/32/06/41/1294320641.db2.gz SCFLAKBEVCLJAP-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001196651548 1294321075 /nfs/dbraw/zinc/32/10/75/1294321075.db2.gz FEWXDAQVUHFJOG-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC001196675973 1294329692 /nfs/dbraw/zinc/32/96/92/1294329692.db2.gz OICKKCURTCFAMK-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC001196703529 1294334072 /nfs/dbraw/zinc/33/40/72/1294334072.db2.gz DVRPMXCDFQUKEK-LLVKDONJSA-N -1 0 338.738 2.831 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)c1 ZINC001196722753 1294342736 /nfs/dbraw/zinc/34/27/36/1294342736.db2.gz MXGJBJKWXYCSMU-UHFFFAOYSA-N -1 0 349.387 2.831 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1CO ZINC001196689918 1294346238 /nfs/dbraw/zinc/34/62/38/1294346238.db2.gz FHHRKYSCCBYBCS-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C#N)c1 ZINC001196690183 1294346318 /nfs/dbraw/zinc/34/63/18/1294346318.db2.gz IUZUZNUVSYULFQ-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c[nH]cc2C2CC2)n1 ZINC000885176505 1294347228 /nfs/dbraw/zinc/34/72/28/1294347228.db2.gz RLHSCCWFSUDTFD-LLVKDONJSA-N -1 0 329.381 2.690 20 30 EFEDRM Cn1cnc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)c21 ZINC001196690847 1294347291 /nfs/dbraw/zinc/34/72/91/1294347291.db2.gz YDDCVZGNYCSFDD-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)c1 ZINC001196779749 1294375541 /nfs/dbraw/zinc/37/55/41/1294375541.db2.gz YLTOQIWJBPGKAQ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000885305279 1294385391 /nfs/dbraw/zinc/38/53/91/1294385391.db2.gz ZPCOJUCRJDSFHI-UHFFFAOYSA-N -1 0 329.425 2.519 20 30 EFEDRM Cc1noc(NC(=O)c2csc(COC(=O)C(C)(C)C)n2)c1C#N ZINC001196997962 1294432200 /nfs/dbraw/zinc/43/22/00/1294432200.db2.gz LXGTUPNCFITYOH-UHFFFAOYSA-N -1 0 348.384 2.653 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)cc1 ZINC001197039880 1294438063 /nfs/dbraw/zinc/43/80/63/1294438063.db2.gz LIRQYJYLVCMXGT-UHFFFAOYSA-N -1 0 329.377 2.564 20 30 EFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2csc(C#N)c2)c1 ZINC001197080198 1294455437 /nfs/dbraw/zinc/45/54/37/1294455437.db2.gz STKYAIMPQNOIHS-AATRIKPKSA-N -1 0 348.405 2.607 20 30 EFEDRM N#Cc1cccc(OCCNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197136409 1294456891 /nfs/dbraw/zinc/45/68/91/1294456891.db2.gz BITOBBOYLHGIEV-UHFFFAOYSA-N -1 0 341.392 2.622 20 30 EFEDRM CCc1cc(C(=O)Nc2nc[n-]c(=O)c2Br)ccc1C#N ZINC001197273916 1294493211 /nfs/dbraw/zinc/49/32/11/1294493211.db2.gz RBCJWYIDWPXROR-UHFFFAOYSA-N -1 0 347.172 2.631 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCCC(N)=O)c1 ZINC001197364736 1294514006 /nfs/dbraw/zinc/51/40/06/1294514006.db2.gz BOUXZCRZMHIGKU-UHFFFAOYSA-N -1 0 334.416 2.541 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCc2cn[nH]n2)c1 ZINC001197364699 1294514822 /nfs/dbraw/zinc/51/48/22/1294514822.db2.gz AZMKIHWXXVAQJO-UHFFFAOYSA-N -1 0 344.415 2.984 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c1 ZINC001197385143 1294524469 /nfs/dbraw/zinc/52/44/69/1294524469.db2.gz CEKSPGRGTPBRKY-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2ccc(OC)cc2C#N)c1 ZINC001197376798 1294535648 /nfs/dbraw/zinc/53/56/48/1294535648.db2.gz KRXSYUOQOGONSH-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(C)c1F ZINC001234224641 1313084237 /nfs/dbraw/zinc/08/42/37/1313084237.db2.gz ZQWSCCHJSDBNMB-JTQLQIEISA-N -1 0 338.784 2.625 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(SC)ccc1C ZINC001234237839 1313086672 /nfs/dbraw/zinc/08/66/72/1313086672.db2.gz GAUXQMYRHCAWSC-GFCCVEGCSA-N -1 0 332.443 2.555 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197646002 1294641492 /nfs/dbraw/zinc/64/14/92/1294641492.db2.gz LHBRIHNLZUQYIU-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717892 1294661507 /nfs/dbraw/zinc/66/15/07/1294661507.db2.gz SHEYSOVBYMGOCN-UHFFFAOYSA-N -1 0 332.168 2.795 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncc(-c2ccccc2)c1 ZINC001234271762 1313092767 /nfs/dbraw/zinc/09/27/67/1313092767.db2.gz WPILINCHTVHGBF-QGZVFWFLSA-N -1 0 349.408 2.586 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1Cl ZINC000136567969 1294677170 /nfs/dbraw/zinc/67/71/70/1294677170.db2.gz XMQRIFFSYCGVNH-AWEZNQCLSA-N -1 0 342.782 2.987 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136661798 1294682173 /nfs/dbraw/zinc/68/21/73/1294682173.db2.gz BOKYHSDMLFNBRM-KRWDZBQOSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)cn1 ZINC001197725566 1294695549 /nfs/dbraw/zinc/69/55/49/1294695549.db2.gz FQUSWZVQTJHIKG-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(OC(C)C)c(C)c1 ZINC001234284010 1313095500 /nfs/dbraw/zinc/09/55/00/1313095500.db2.gz BHRJFVCAPKPXJN-HNNXBMFYSA-N -1 0 344.429 2.620 20 30 EFEDRM CN(C)c1c(F)cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1F ZINC001197856926 1294745701 /nfs/dbraw/zinc/74/57/01/1294745701.db2.gz LIRGXLXLQHSTNN-UHFFFAOYSA-N -1 0 335.285 2.999 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197820964 1294751167 /nfs/dbraw/zinc/75/11/67/1294751167.db2.gz LPQHRWCQTRHOGB-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)(F)F)C(=O)O1 ZINC000137480611 1294786558 /nfs/dbraw/zinc/78/65/58/1294786558.db2.gz YOVRGRVLMXHTDU-PSKZRQQASA-N -1 0 340.253 2.813 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)cc(F)c1F ZINC001198232964 1294945019 /nfs/dbraw/zinc/94/50/19/1294945019.db2.gz FLNFGGOETJDOOD-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2C#N)cn1 ZINC001198321568 1294991349 /nfs/dbraw/zinc/99/13/49/1294991349.db2.gz VYJCCRNVUDONKK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)n1C ZINC001198343480 1295001645 /nfs/dbraw/zinc/00/16/45/1295001645.db2.gz IWHSVZXEUBTYSM-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nccc(Oc2cccc(C#N)c2)n1 ZINC000886912055 1295209078 /nfs/dbraw/zinc/20/90/78/1295209078.db2.gz JPKIYZHOROYWRG-JSGCOSHPSA-N -1 0 338.367 2.830 20 30 EFEDRM C[C@@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[C@H]1C(=O)[O-] ZINC000886911728 1295209773 /nfs/dbraw/zinc/20/97/73/1295209773.db2.gz AMADDFTZHKZETJ-IUODEOHRSA-N -1 0 338.367 2.688 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782468 1295227984 /nfs/dbraw/zinc/22/79/84/1295227984.db2.gz JSTQBAZGVHLERY-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)(C#N)c1cccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198780066 1295249498 /nfs/dbraw/zinc/24/94/98/1295249498.db2.gz ZUHIGTYMEQCISD-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM CC(C)Oc1ncccc1COc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234513033 1313142617 /nfs/dbraw/zinc/14/26/17/1313142617.db2.gz HQUIBVSRMAOMLS-UHFFFAOYSA-N -1 0 336.351 2.968 20 30 EFEDRM CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21 ZINC001234516455 1313143707 /nfs/dbraw/zinc/14/37/07/1313143707.db2.gz UPQJXUMMEGYSTN-OAHLLOKOSA-N -1 0 347.374 2.643 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000037555329 1295351485 /nfs/dbraw/zinc/35/14/85/1295351485.db2.gz LDGGSXZYIDZKSZ-UHFFFAOYSA-N -1 0 338.801 2.722 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c(C)c1 ZINC001198943970 1295377214 /nfs/dbraw/zinc/37/72/14/1295377214.db2.gz VQDBYSLFRKTOCP-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C=C1O[C@H](C)C(=O)C1Oc1[n-]c2sccc2c(=O)c1C(=O)OCC ZINC001234596319 1313164943 /nfs/dbraw/zinc/16/49/43/1313164943.db2.gz AGGCOUGRLIYSFW-SSDOTTSWSA-N -1 0 349.364 2.777 20 30 EFEDRM N#Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c(O)c1 ZINC001199730979 1295710855 /nfs/dbraw/zinc/71/08/55/1295710855.db2.gz YWMBVCVHEPIQKO-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000097595956 1295759216 /nfs/dbraw/zinc/75/92/16/1295759216.db2.gz MIRNCRZEKWTWHL-UHFFFAOYSA-N -1 0 340.445 2.645 20 30 EFEDRM C#CC(C#C)Oc1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC001234730446 1313186710 /nfs/dbraw/zinc/18/67/10/1313186710.db2.gz YAKLTDRHBPKWHX-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM C#C[C@@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2(F)F ZINC001234684285 1313182214 /nfs/dbraw/zinc/18/22/14/1313182214.db2.gz AWBMZKTUYCDDHX-GFCCVEGCSA-N -1 0 345.349 2.690 20 30 EFEDRM C=C[C@@H](CCC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894262 1313204933 /nfs/dbraw/zinc/20/49/33/1313204933.db2.gz KDLNSSJUKZPKBT-NSHDSACASA-N -1 0 329.356 2.764 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C)cc2)n1 ZINC000007069452 1296431025 /nfs/dbraw/zinc/43/10/25/1296431025.db2.gz UUAKGMMUURRJOS-CQSZACIVSA-N -1 0 328.393 2.722 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)c1F ZINC001200864325 1296487190 /nfs/dbraw/zinc/48/71/90/1296487190.db2.gz PEMWDCFKALQCAZ-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C)ccc2C#N)cc1 ZINC001201082003 1296580340 /nfs/dbraw/zinc/58/03/40/1296580340.db2.gz PFWBNALBQHAGMH-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM CCCCc1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776136978 1296588558 /nfs/dbraw/zinc/58/85/58/1296588558.db2.gz QHOJPLLZUUUZNQ-UHFFFAOYSA-N -1 0 336.457 2.567 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cc(Cl)ccc1Cl ZINC000776140787 1296605722 /nfs/dbraw/zinc/60/57/22/1296605722.db2.gz KTQBXUAZNZKBKX-UHFFFAOYSA-N -1 0 349.239 2.532 20 30 EFEDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776139633 1296614842 /nfs/dbraw/zinc/61/48/42/1296614842.db2.gz ZDIPSNHGZKKISE-UHFFFAOYSA-N -1 0 336.457 2.704 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000776139461 1296629899 /nfs/dbraw/zinc/62/98/99/1296629899.db2.gz RWLOVHJGUHBDFU-CYBMUJFWSA-N -1 0 344.436 2.939 20 30 EFEDRM CC(C)(C)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142954 1296648987 /nfs/dbraw/zinc/64/89/87/1296648987.db2.gz CAVMEXQKQJJAAQ-DHZHZOJOSA-N -1 0 348.468 2.993 20 30 EFEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC(C)(C)C1 ZINC000776142668 1296649285 /nfs/dbraw/zinc/64/92/85/1296649285.db2.gz IIUMLQDTLNUZPR-CHWSQXEVSA-N -1 0 328.478 2.835 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201244709 1296652782 /nfs/dbraw/zinc/65/27/82/1296652782.db2.gz XBHLRDSJBQNRLO-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)cc1C#N ZINC001201292719 1296687741 /nfs/dbraw/zinc/68/77/41/1296687741.db2.gz JEUQJSVZVRWUOL-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cncc(OC(F)F)c2)cc1C#N ZINC001201295126 1296708536 /nfs/dbraw/zinc/70/85/36/1296708536.db2.gz LMOKAMKKIIZVIA-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1C#N ZINC001201295202 1296708913 /nfs/dbraw/zinc/70/89/13/1296708913.db2.gz NBKKFQNVRDFELM-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316989 1296724245 /nfs/dbraw/zinc/72/42/45/1296724245.db2.gz KSMUXVWUXJDBFK-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1C#N ZINC001201320379 1296724984 /nfs/dbraw/zinc/72/49/84/1296724984.db2.gz YCTVHGHBRZEYED-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)ccc1C(C)=O ZINC001201320310 1296725120 /nfs/dbraw/zinc/72/51/20/1296725120.db2.gz VZDQHPKBDFRENK-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201320305 1296725668 /nfs/dbraw/zinc/72/56/68/1296725668.db2.gz VVJCGKGFLOYALY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1C#N ZINC001201322287 1296728161 /nfs/dbraw/zinc/72/81/61/1296728161.db2.gz HWTUKQSEYUVIPL-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM COC(=O)c1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000776187138 1296818121 /nfs/dbraw/zinc/81/81/21/1296818121.db2.gz JOEGGWKLVGHTBD-UHFFFAOYSA-N -1 0 329.312 2.923 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OCc2ccc(C(=O)[O-])cc2)C1 ZINC001205681267 1313336536 /nfs/dbraw/zinc/33/65/36/1313336536.db2.gz UNIAJGOIIOPPIU-GJZGRUSLSA-N -1 0 346.383 2.660 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2sc(Cl)nc2C)c1 ZINC001201763931 1297060412 /nfs/dbraw/zinc/06/04/12/1297060412.db2.gz LQBFVKOZDPJXMM-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201764397 1297062827 /nfs/dbraw/zinc/06/28/27/1297062827.db2.gz GHPQZNHZYUTRSQ-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM C=CCC[C@@H](NC(=O)N(C)[C@H](COCC)C(=O)[O-])c1ccccc1 ZINC000929044328 1297154013 /nfs/dbraw/zinc/15/40/13/1297154013.db2.gz LQHDVINMLQGQST-HZPDHXFCSA-N -1 0 334.416 2.825 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(F)c(F)c(C(=O)[O-])c2)c(C#N)c1 ZINC001206031272 1313394120 /nfs/dbraw/zinc/39/41/20/1313394120.db2.gz HXSMASJUBGSPST-UHFFFAOYSA-N -1 0 332.262 2.773 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1ccccc1Cl ZINC000042290412 1297697258 /nfs/dbraw/zinc/69/72/58/1297697258.db2.gz XGTJMFFVKDHPBZ-UHFFFAOYSA-N -1 0 328.777 2.833 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)[nH]n1 ZINC000042302075 1297698386 /nfs/dbraw/zinc/69/83/86/1297698386.db2.gz XKLFSCJJZZJADE-UHFFFAOYSA-N -1 0 327.793 2.709 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)cc1 ZINC000042302900 1297698441 /nfs/dbraw/zinc/69/84/41/1297698441.db2.gz CWSWFTGDMBNGFN-UHFFFAOYSA-N -1 0 326.333 2.998 20 30 EFEDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000042303615 1297698932 /nfs/dbraw/zinc/69/89/32/1297698932.db2.gz LSFIYNMSYARVIM-UHFFFAOYSA-N -1 0 344.392 2.845 20 30 EFEDRM Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000042304366 1297698976 /nfs/dbraw/zinc/69/89/76/1297698976.db2.gz RQRIRGVTPBATOQ-UHFFFAOYSA-N -1 0 330.365 2.591 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)c(C)c1 ZINC000048476087 1297757715 /nfs/dbraw/zinc/75/77/15/1297757715.db2.gz SBCICOVGZPMHKN-UHFFFAOYSA-N -1 0 329.381 2.873 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000048478870 1297758205 /nfs/dbraw/zinc/75/82/05/1297758205.db2.gz RXQYAVSNRACEHK-UHFFFAOYSA-N -1 0 332.592 2.942 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)CCCOc1ccccc1Br ZINC000048486889 1297759173 /nfs/dbraw/zinc/75/91/73/1297759173.db2.gz CFDVKGVQOBOACG-UHFFFAOYSA-N -1 0 336.207 2.524 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000107022606 1297782825 /nfs/dbraw/zinc/78/28/25/1297782825.db2.gz XFFORPXBCKRDJZ-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C(=O)[O-])cc1 ZINC001236056751 1313435569 /nfs/dbraw/zinc/43/55/69/1313435569.db2.gz LQLVHILYOCBBNL-CYBMUJFWSA-N -1 0 347.330 2.775 20 30 EFEDRM CCc1nc(C#N)c(C#N)nc1-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001236150280 1313447369 /nfs/dbraw/zinc/44/73/69/1313447369.db2.gz FKZZFYVTOGZPGB-UHFFFAOYSA-N -1 0 330.706 2.940 20 30 EFEDRM N#Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccn1 ZINC001206626782 1313486250 /nfs/dbraw/zinc/48/62/50/1313486250.db2.gz CCFBAEAONPDNOK-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCC1 ZINC000192247765 1298338007 /nfs/dbraw/zinc/33/80/07/1298338007.db2.gz CMFXVQBYNPRRKU-UHFFFAOYSA-N -1 0 348.468 2.620 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cn(CC)c2ccccc12 ZINC000193351559 1298430730 /nfs/dbraw/zinc/43/07/30/1298430730.db2.gz RFMJWAHZSWNGFD-HNNXBMFYSA-N -1 0 341.411 2.526 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000193382010 1298433256 /nfs/dbraw/zinc/43/32/56/1298433256.db2.gz GDHBALAZSPAYNN-HNNXBMFYSA-N -1 0 342.374 2.640 20 30 EFEDRM C=CCOCc1nn(C)c2c1CN(Cc1ccc(F)c(O)c1)CC2 ZINC001236702863 1313514637 /nfs/dbraw/zinc/51/46/37/1313514637.db2.gz TVEQIBVERKFRHA-UHFFFAOYSA-N -1 0 331.391 2.526 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000108250090 1298493963 /nfs/dbraw/zinc/49/39/63/1298493963.db2.gz UOQAZKSDLZSUNW-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM CC(C)C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000086054310 1299255296 /nfs/dbraw/zinc/25/52/96/1299255296.db2.gz MOOOSVRTJFPZER-UHFFFAOYSA-N -1 0 338.429 2.858 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086054802 1299256561 /nfs/dbraw/zinc/25/65/61/1299256561.db2.gz VTMQXHGRDQLQHB-UHFFFAOYSA-N -1 0 332.765 2.825 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000086067842 1299261107 /nfs/dbraw/zinc/26/11/07/1299261107.db2.gz XJTBMTDGFOSEMA-SNVBAGLBSA-N -1 0 333.356 2.900 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)[O-] ZINC000776597207 1299714446 /nfs/dbraw/zinc/71/44/46/1299714446.db2.gz NRKKEQHPWOKMFT-LJTDUEICSA-N -1 0 329.805 2.650 20 30 EFEDRM C[C@@H]1CCN(Cc2cc(F)ccc2C#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757418 1299867962 /nfs/dbraw/zinc/86/79/62/1299867962.db2.gz DNHHFCIEUIYEDE-YGRLFVJLSA-N -1 0 343.324 2.586 20 30 EFEDRM C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757355 1299868505 /nfs/dbraw/zinc/86/85/05/1299868505.db2.gz SENCPSPFHHQFON-MFKMUULPSA-N -1 0 343.324 2.586 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cn(CC3CC3)c(CC)n2)c1 ZINC000853024504 1299977149 /nfs/dbraw/zinc/97/71/49/1299977149.db2.gz LSZMKLWZKJKUPQ-UHFFFAOYSA-N -1 0 329.425 2.638 20 30 EFEDRM C[C@H]1CCCCN1N=C1C(=O)Nc2cc([O-])c(Br)cc21 ZINC000853381335 1300099599 /nfs/dbraw/zinc/09/95/99/1300099599.db2.gz AOGOYUGZQPKQAV-QMMMGPOBSA-N -1 0 338.205 2.685 20 30 EFEDRM CCCCCC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000776691196 1300250154 /nfs/dbraw/zinc/25/01/54/1300250154.db2.gz DZTDJOWKKYAOFC-HNNXBMFYSA-N -1 0 338.429 2.602 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776720468 1300486429 /nfs/dbraw/zinc/48/64/29/1300486429.db2.gz NZHHMJGBYRJUQY-UHFFFAOYSA-N -1 0 348.472 2.917 20 30 EFEDRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000088799940 1300630455 /nfs/dbraw/zinc/63/04/55/1300630455.db2.gz HRABSMRPHQQIQZ-UHFFFAOYSA-N -1 0 340.445 2.597 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000088800449 1300632226 /nfs/dbraw/zinc/63/22/26/1300632226.db2.gz QVKCZDLGPAFERF-CYBMUJFWSA-N -1 0 332.466 2.500 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)c1 ZINC000088808173 1300633674 /nfs/dbraw/zinc/63/36/74/1300633674.db2.gz LPCDYSQAYQZFAV-UHFFFAOYSA-N -1 0 341.335 2.861 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088813353 1300640833 /nfs/dbraw/zinc/64/08/33/1300640833.db2.gz RKQJJEXWCAJXQL-UHFFFAOYSA-N -1 0 328.390 2.860 20 30 EFEDRM CCOC(=O)C1(C#N)CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804665 1313710202 /nfs/dbraw/zinc/71/02/02/1313710202.db2.gz FZRPQIYFYWUYHX-UHFFFAOYSA-N -1 0 340.782 2.854 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@]1(C)CC1(Br)Br ZINC000855027179 1300767704 /nfs/dbraw/zinc/76/77/04/1300767704.db2.gz YHPBPIBROHFKIH-QMMMGPOBSA-N -1 0 327.016 2.506 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)c1 ZINC000089490471 1300820113 /nfs/dbraw/zinc/82/01/13/1300820113.db2.gz NJDKVFRDMILERH-UHFFFAOYSA-N -1 0 327.793 2.811 20 30 EFEDRM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1F ZINC000795389817 1300922267 /nfs/dbraw/zinc/92/22/67/1300922267.db2.gz YYTKXHDFRMMXJR-QMMMGPOBSA-N -1 0 326.374 2.613 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC000089970890 1300962341 /nfs/dbraw/zinc/96/23/41/1300962341.db2.gz RQCCLJDJVZNVHX-UHFFFAOYSA-N -1 0 336.360 2.549 20 30 EFEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CCCF)c1C1CC1 ZINC000089979649 1300963653 /nfs/dbraw/zinc/96/36/53/1300963653.db2.gz JSCILHWVIVZXHE-SNVBAGLBSA-N -1 0 331.413 2.726 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000856029439 1301210401 /nfs/dbraw/zinc/21/04/01/1301210401.db2.gz NNOLZIAHYMRESU-ZDUSSCGKSA-N -1 0 335.795 2.569 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000856029507 1301210548 /nfs/dbraw/zinc/21/05/48/1301210548.db2.gz QNIQPUUQURXHRL-VQBCORBOSA-N -1 0 348.487 2.968 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000856028949 1301210667 /nfs/dbraw/zinc/21/06/67/1301210667.db2.gz SVYSSPSFPXINOL-NSHDSACASA-N -1 0 326.393 2.510 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000856029653 1301210788 /nfs/dbraw/zinc/21/07/88/1301210788.db2.gz XUUIEPWUKSHCCP-UHFFFAOYSA-N -1 0 332.429 2.600 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)(F)F)C(=O)O1 ZINC000038388007 1301277684 /nfs/dbraw/zinc/27/76/84/1301277684.db2.gz YOVRGRVLMXHTDU-UZYOAWRESA-N -1 0 340.253 2.813 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000117105450 1301660748 /nfs/dbraw/zinc/66/07/48/1301660748.db2.gz PGTJMWSTMRHHPO-UHFFFAOYSA-N -1 0 346.246 2.837 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001333659611 1331188675 /nfs/dbraw/zinc/18/86/75/1331188675.db2.gz MYYZLNLVXILCNI-BQBZGAKWSA-N -1 0 337.323 2.551 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2csnn2)cc1 ZINC000860464063 1301814416 /nfs/dbraw/zinc/81/44/16/1301814416.db2.gz NILNNERHJDJYNF-AWEZNQCLSA-N -1 0 342.424 2.834 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000860656688 1301870709 /nfs/dbraw/zinc/87/07/09/1301870709.db2.gz OWCJKWRIZGBFAJ-CYBMUJFWSA-N -1 0 338.429 2.693 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)c1cccc(Cl)c1 ZINC000860753533 1301906752 /nfs/dbraw/zinc/90/67/52/1301906752.db2.gz ZMCGRMKOMRKGEK-ZDUSSCGKSA-N -1 0 328.821 2.583 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cccc(OCC)c2)CC1 ZINC000860772366 1301915459 /nfs/dbraw/zinc/91/54/59/1301915459.db2.gz XNULNOTVSFAAFM-UHFFFAOYSA-N -1 0 337.441 2.573 20 30 EFEDRM CC(C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)=C1CCCC1 ZINC000861014504 1301990250 /nfs/dbraw/zinc/99/02/50/1301990250.db2.gz MUUCSVKJFFOABG-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014895 1301990298 /nfs/dbraw/zinc/99/02/98/1301990298.db2.gz VQVWGLSKRKLTGU-LLVKDONJSA-N -1 0 340.420 2.716 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000861014108 1301991135 /nfs/dbraw/zinc/99/11/35/1301991135.db2.gz XMIVSMAUEYJSEP-YRNVUSSQSA-N -1 0 338.404 2.636 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862132219 1302293093 /nfs/dbraw/zinc/29/30/93/1302293093.db2.gz BBJAWHULVQAHNF-HIFRSBDPSA-N -1 0 334.416 2.950 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNCC(F)(F)C(F)(F)F)c1 ZINC000863179883 1302548177 /nfs/dbraw/zinc/54/81/77/1302548177.db2.gz UNJCRJSAOZNIDK-UHFFFAOYSA-N -1 0 340.248 2.661 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794595638 1302828993 /nfs/dbraw/zinc/82/89/93/1302828993.db2.gz HJJOCVHTNIYFHA-UHFFFAOYSA-N -1 0 326.377 2.565 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794596879 1302831677 /nfs/dbraw/zinc/83/16/77/1302831677.db2.gz QHVBTJLJVZUAGN-ZDUSSCGKSA-N -1 0 341.392 2.844 20 30 EFEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccccc2-n2ccnn2)c1 ZINC000794733715 1303041163 /nfs/dbraw/zinc/04/11/63/1303041163.db2.gz ZJTWYVBVWDTSDO-AATRIKPKSA-N -1 0 325.349 2.923 20 30 EFEDRM CN(CC(=O)Nc1cc(C#N)ccc1[O-])c1nc2ccccc2s1 ZINC000748410215 1313911139 /nfs/dbraw/zinc/91/11/39/1313911139.db2.gz FDUILFBIVSFYGV-UHFFFAOYSA-N -1 0 338.392 2.948 20 30 EFEDRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411191 1313911799 /nfs/dbraw/zinc/91/17/99/1313911799.db2.gz LLYDWCLHJBZUSG-LLVKDONJSA-N -1 0 333.388 2.705 20 30 EFEDRM O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794944660 1303734946 /nfs/dbraw/zinc/73/49/46/1303734946.db2.gz CXNYWMMUYNBZOR-DAFODLJHSA-N -1 0 340.291 2.527 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000794942345 1303747441 /nfs/dbraw/zinc/74/74/41/1303747441.db2.gz MBATXDNFGYGWHC-ONEGZZNKSA-N -1 0 337.378 2.976 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794946109 1303771853 /nfs/dbraw/zinc/77/18/53/1303771853.db2.gz NKRIXCNYXXJBAX-XQRVVYSFSA-N -1 0 348.336 2.830 20 30 EFEDRM CN(C)c1ccccc1CNN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000794956405 1303815228 /nfs/dbraw/zinc/81/52/28/1303815228.db2.gz IMEVZTOFFBMZAS-UHFFFAOYSA-N -1 0 341.411 2.730 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121658505 1303844450 /nfs/dbraw/zinc/84/44/50/1303844450.db2.gz HZCRVMFVNFYHKZ-INIZCTEOSA-N -1 0 345.358 2.980 20 30 EFEDRM CC(=NNc1cncnc1)c1cc(Br)c(F)cc1[O-] ZINC000794973215 1303867183 /nfs/dbraw/zinc/86/71/83/1303867183.db2.gz RYUOMOCZLIBPLY-UHFFFAOYSA-N -1 0 325.141 2.920 20 30 EFEDRM COc1cc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc(Cl)c1O ZINC000121778930 1303923238 /nfs/dbraw/zinc/92/32/38/1303923238.db2.gz CUWBNEDMWNKXHK-POHAHGRESA-N -1 0 331.755 2.955 20 30 EFEDRM COc1cc(CN=Nc2ncccc2F)ccc1OCCC(=O)[O-] ZINC000794990011 1304124986 /nfs/dbraw/zinc/12/49/86/1304124986.db2.gz ITHBZRQMZMNVHJ-UHFFFAOYSA-N -1 0 333.319 2.529 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000868559384 1304355114 /nfs/dbraw/zinc/35/51/14/1304355114.db2.gz WNBYUTHZIASOPC-UHFFFAOYSA-N -1 0 329.169 2.916 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000122343446 1304530880 /nfs/dbraw/zinc/53/08/80/1304530880.db2.gz WLIUBBDSMVCXPG-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000122348660 1304533481 /nfs/dbraw/zinc/53/34/81/1304533481.db2.gz PMJGOJBXIGWZNQ-UHFFFAOYSA-N -1 0 336.344 2.537 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122354718 1304537451 /nfs/dbraw/zinc/53/74/51/1304537451.db2.gz YJNVJGUQOWLRLU-GFCCVEGCSA-N -1 0 337.445 2.520 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000122379163 1304575881 /nfs/dbraw/zinc/57/58/81/1304575881.db2.gz DOUHFEXSVLHOFV-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM COCCCON=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000795051629 1304612614 /nfs/dbraw/zinc/61/26/14/1304612614.db2.gz XFMJQBOEUYFJSY-UHFFFAOYSA-N -1 0 348.321 2.613 20 30 EFEDRM C[C@H](C#N)N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000869253506 1304682129 /nfs/dbraw/zinc/68/21/29/1304682129.db2.gz LZIQYMYDCVTFIV-SSDOTTSWSA-N -1 0 327.153 2.810 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1ccccc1Cl ZINC000122526266 1304728438 /nfs/dbraw/zinc/72/84/38/1304728438.db2.gz QGQODKIDBMMVOJ-GFCCVEGCSA-N -1 0 345.786 2.824 20 30 EFEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122580765 1304775507 /nfs/dbraw/zinc/77/55/07/1304775507.db2.gz FSZXBRNPUKBKEV-LLVKDONJSA-N -1 0 346.184 2.696 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncc(-c2ccccc2)c1 ZINC000122611135 1304812671 /nfs/dbraw/zinc/81/26/71/1304812671.db2.gz VUPQMDBIRUPHLY-INIZCTEOSA-N -1 0 330.347 2.687 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OC2CCCC2)c1 ZINC000122628960 1304822759 /nfs/dbraw/zinc/82/27/59/1304822759.db2.gz SNQXBHMLUIVHCZ-INIZCTEOSA-N -1 0 337.379 2.947 20 30 EFEDRM CC(C)c1ccc(OCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122873540 1305064085 /nfs/dbraw/zinc/06/40/85/1305064085.db2.gz WWKXHVOBUANFMS-HNNXBMFYSA-N -1 0 325.368 2.514 20 30 EFEDRM CC(C)c1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122877492 1305066090 /nfs/dbraw/zinc/06/60/90/1305066090.db2.gz FCFPDCWZHVEBHO-XJKSGUPXSA-N -1 0 339.395 2.903 20 30 EFEDRM N#Cc1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)ccc1Cl ZINC001240403559 1314029799 /nfs/dbraw/zinc/02/97/99/1314029799.db2.gz PQYCBLDDXGXSLZ-UHFFFAOYSA-N -1 0 333.756 2.702 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)cn1 ZINC000870141585 1305165176 /nfs/dbraw/zinc/16/51/76/1305165176.db2.gz AGJFAOIITKTYFE-INIZCTEOSA-N -1 0 337.379 2.508 20 30 EFEDRM CCn1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1C ZINC000870308452 1305254143 /nfs/dbraw/zinc/25/41/43/1305254143.db2.gz LWYWFPFSVOUHAI-AWEZNQCLSA-N -1 0 344.802 2.504 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1ccccc1C(C)(C)C ZINC000123077376 1305264519 /nfs/dbraw/zinc/26/45/19/1305264519.db2.gz JYEFTKNYNFBRAB-ZDUSSCGKSA-N -1 0 339.395 2.688 20 30 EFEDRM COc1ccccc1C[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123228352 1305441276 /nfs/dbraw/zinc/44/12/76/1305441276.db2.gz GDXVYBCTIUUBKA-ZFWWWQNUSA-N -1 0 339.395 2.589 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)c3nccn3C)cs2)o1 ZINC000123318756 1305570002 /nfs/dbraw/zinc/57/00/02/1305570002.db2.gz PAWRHOIBMFLLDP-SNVBAGLBSA-N -1 0 340.364 2.650 20 30 EFEDRM COc1cc(-c2nccc(/C=N/O)c2C(OC)OC)ccc1C(=O)[O-] ZINC001240741672 1314064718 /nfs/dbraw/zinc/06/47/18/1314064718.db2.gz QEFBEPCVHWLURO-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(C(=O)[O-])c(OC)c2)c1C#N ZINC001240741576 1314064759 /nfs/dbraw/zinc/06/47/59/1314064759.db2.gz HRMXITZSDGSKNU-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM COC(=O)c1ccc(-c2ccc(C(=O)[O-])c(OC)c2)cc1CC#N ZINC001240746120 1314065900 /nfs/dbraw/zinc/06/59/00/1314065900.db2.gz VUDHKDFPEHCNOB-UHFFFAOYSA-N -1 0 325.320 2.913 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1ccc(C(=O)[O-])s1 ZINC001240844792 1314076576 /nfs/dbraw/zinc/07/65/76/1314076576.db2.gz ZEEVKQSGAOMALK-UHFFFAOYSA-N -1 0 338.348 2.909 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccc(CC(=O)[O-])cc1 ZINC001240975921 1314088704 /nfs/dbraw/zinc/08/87/04/1314088704.db2.gz DTSHQEWUHKJFGQ-UHFFFAOYSA-N -1 0 334.393 2.765 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241241212 1314103987 /nfs/dbraw/zinc/10/39/87/1314103987.db2.gz FEEYKCOUYUQTBR-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COc1ccc(-c2nc(SCc3ccon3)[n-]c(=O)c2C#N)cc1 ZINC000115965147 1314118620 /nfs/dbraw/zinc/11/86/20/1314118620.db2.gz FRZVBLPAYDVCQV-UHFFFAOYSA-N -1 0 340.364 2.597 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001216128673 1314916429 /nfs/dbraw/zinc/91/64/29/1314916429.db2.gz MJUGARDMIOFVCB-UHFFFAOYSA-N -1 0 325.752 2.734 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260279303 1316327696 /nfs/dbraw/zinc/32/76/96/1316327696.db2.gz WYLQEBOLGFNXFL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cnn(CC(=O)[O-])c2)cc1 ZINC001242186479 1314190175 /nfs/dbraw/zinc/19/01/75/1314190175.db2.gz BHYVVVMVPCULFU-HNFCMGRUSA-N -1 0 347.440 2.906 20 30 EFEDRM COc1nc(-c2ccc([O-])c(C#N)c2)nc(N2CCCCCC2)n1 ZINC001242564347 1314216064 /nfs/dbraw/zinc/21/60/64/1314216064.db2.gz WFCPRLAPLAIVKU-UHFFFAOYSA-N -1 0 325.372 2.505 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc(OCCOC)cc1C)C(=O)[O-] ZINC000900331775 1307990503 /nfs/dbraw/zinc/99/05/03/1307990503.db2.gz QZVOCAYLKZOQIF-OAHLLOKOSA-N -1 0 336.388 2.561 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000900342396 1308014338 /nfs/dbraw/zinc/01/43/38/1308014338.db2.gz OZHQGEDJADERMJ-WMLDXEAASA-N -1 0 343.427 2.972 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000900342397 1308015276 /nfs/dbraw/zinc/01/52/76/1308015276.db2.gz OZHQGEDJADERMJ-YOEHRIQHSA-N -1 0 343.427 2.972 20 30 EFEDRM N#Cc1ccccc1-c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001242715434 1314227966 /nfs/dbraw/zinc/22/79/66/1314227966.db2.gz VVWJNAYXUPHTPD-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000749021628 1314235295 /nfs/dbraw/zinc/23/52/95/1314235295.db2.gz CIDKHRBTNREHCS-UHFFFAOYSA-N -1 0 341.429 2.645 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000800804907 1308453534 /nfs/dbraw/zinc/45/35/34/1308453534.db2.gz LZMBWDIRVYPCEF-UHFFFAOYSA-N -1 0 330.413 2.959 20 30 EFEDRM O=C1Nc2cccc(C(F)(F)F)c2C1=N[N-]c1nccnc1Cl ZINC000800812953 1308472176 /nfs/dbraw/zinc/47/21/76/1308472176.db2.gz OSBMMHGAHCYIKA-UHFFFAOYSA-N -1 0 341.680 2.917 20 30 EFEDRM COc1ccc(Nc2c(C#N)cnn2C2CCOCC2)cc1C(=O)[O-] ZINC001209900764 1314256843 /nfs/dbraw/zinc/25/68/43/1314256843.db2.gz HEOGULUKZCAANH-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000013357555 1308896927 /nfs/dbraw/zinc/89/69/27/1308896927.db2.gz PIAGIYZDSQKGAH-CMDGGOBGSA-N -1 0 327.292 2.954 20 30 EFEDRM CCCCCCCC[C@H](N)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000901029154 1309235017 /nfs/dbraw/zinc/23/50/17/1309235017.db2.gz IIPYXGAGNMSIJH-ZDUSSCGKSA-N -1 0 332.491 2.631 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(C(=O)[O-])ccc1OC ZINC001210261126 1314304218 /nfs/dbraw/zinc/30/42/18/1314304218.db2.gz YHRDKMPKRXNXFE-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM C[C@H]1Cc2cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)ccc2O1 ZINC000901133675 1309569088 /nfs/dbraw/zinc/56/90/88/1309569088.db2.gz NJSLHIQCRZJQTN-ZETCQYMHSA-N -1 0 328.319 2.791 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3=CC[C@H](C#N)CC3)nc2)no1 ZINC001243799068 1314324121 /nfs/dbraw/zinc/32/41/21/1314324121.db2.gz PSOQYZBMAJDXAW-LBPRGKRZSA-N -1 0 344.396 2.886 20 30 EFEDRM O=C([O-])c1ccc2scc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)c2c1 ZINC000901206290 1309834841 /nfs/dbraw/zinc/83/48/41/1309834841.db2.gz KBBABVAMQZZXDN-ZIAGYGMSSA-N -1 0 342.424 2.793 20 30 EFEDRM CC[C@@H](NN=C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC000901245181 1309960452 /nfs/dbraw/zinc/96/04/52/1309960452.db2.gz ADKITBXMXVUNTL-CYBMUJFWSA-N -1 0 339.436 2.606 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001210554649 1314351962 /nfs/dbraw/zinc/35/19/62/1314351962.db2.gz SEQBQKNBEDACLS-UHFFFAOYSA-N -1 0 325.752 2.734 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1ccc(CCC(=O)[O-])cc1 ZINC001244188796 1314360937 /nfs/dbraw/zinc/36/09/37/1314360937.db2.gz RHDVQHWLRCLRCZ-UHFFFAOYSA-N -1 0 326.352 2.929 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)nn1 ZINC000901523846 1310605854 /nfs/dbraw/zinc/60/58/54/1310605854.db2.gz IHDRHTPUAVBSHK-GUOLPTJISA-N -1 0 329.356 2.607 20 30 EFEDRM CCn1ccnc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])c(OC)c1 ZINC000901557005 1310662304 /nfs/dbraw/zinc/66/23/04/1310662304.db2.gz XEFRFFGIYGSZOR-GQCTYLIASA-N -1 0 344.367 2.661 20 30 EFEDRM O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1ccc([O-])cc1Cl ZINC000901578367 1310691243 /nfs/dbraw/zinc/69/12/43/1310691243.db2.gz LRZJERGRZIDLIN-VUUYWXRKSA-N -1 0 333.775 2.712 20 30 EFEDRM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000901839833 1311095984 /nfs/dbraw/zinc/09/59/84/1311095984.db2.gz YFOUJVIIHCVURL-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C2CCCC2)n1 ZINC000901845258 1311103402 /nfs/dbraw/zinc/10/34/02/1311103402.db2.gz PYRHJRCJMYWUCP-UHFFFAOYSA-N -1 0 344.440 2.945 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(Br)nc1 ZINC000751133169 1311108711 /nfs/dbraw/zinc/10/87/11/1311108711.db2.gz MITLRCKIFXOSJI-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccc2ccccc21 ZINC001222767820 1311181493 /nfs/dbraw/zinc/18/14/93/1311181493.db2.gz BZWVERONWMCNIX-INIZCTEOSA-N -1 0 336.409 2.815 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000780330956 1311190322 /nfs/dbraw/zinc/19/03/22/1311190322.db2.gz ODQIQHAVTXIRMW-UHFFFAOYSA-N -1 0 331.796 2.868 20 30 EFEDRM CCC[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(=O)OCC ZINC001223892224 1311316289 /nfs/dbraw/zinc/31/62/89/1311316289.db2.gz DEEDUJKGNASYHB-MBUFOBGISA-N -1 0 325.361 2.588 20 30 EFEDRM COC(=O)[C@H]1CC[C@@H](O/C(=N\[O-])c2cc(OC)ccc2OC)CC1 ZINC001223891985 1311316433 /nfs/dbraw/zinc/31/64/33/1311316433.db2.gz XUFYCUAORICZNI-KYYOLYKQSA-N -1 0 337.372 2.588 20 30 EFEDRM CCOC(=O)[C@H]1CC[C@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891280 1311316625 /nfs/dbraw/zinc/31/66/25/1311316625.db2.gz HDWMQKHPHLEHHP-LROIWZQWSA-N -1 0 337.372 2.588 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccc2c(c1)CCCC2 ZINC001223939623 1311323649 /nfs/dbraw/zinc/32/36/49/1311323649.db2.gz FCHWSADPASCMLE-KRWDZBQOSA-N -1 0 340.441 2.541 20 30 EFEDRM Cc1cc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)oc2cc1C ZINC000783125865 1311370164 /nfs/dbraw/zinc/37/01/64/1311370164.db2.gz OWIFCIMZFGYFDT-UHFFFAOYSA-N -1 0 334.397 2.659 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCC[C@H](C)c1ccccc1 ZINC001224995423 1311460835 /nfs/dbraw/zinc/46/08/35/1311460835.db2.gz RSXYYDQOEXUCCF-GOEBONIOSA-N -1 0 328.430 2.656 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)co1 ZINC000802212927 1311464632 /nfs/dbraw/zinc/46/46/32/1311464632.db2.gz ISTKJCYJYQMZSV-CYBMUJFWSA-N -1 0 345.786 2.919 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(Cl)c1Cl ZINC001225207539 1311489569 /nfs/dbraw/zinc/48/95/69/1311489569.db2.gz RIAUDYYLDLSGEC-VIFPVBQESA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1C(F)(F)F ZINC001225217700 1311491045 /nfs/dbraw/zinc/49/10/45/1311491045.db2.gz LAFWHUMFYAWMCL-JTQLQIEISA-N -1 0 340.319 2.543 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(C)(C)C)cc1 ZINC001225256882 1311496014 /nfs/dbraw/zinc/49/60/14/1311496014.db2.gz CCHQSOQAVUMTKI-HNNXBMFYSA-N -1 0 328.430 2.822 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225619778 1311554889 /nfs/dbraw/zinc/55/48/89/1311554889.db2.gz IQAIEEDIGPPZHD-HNNXBMFYSA-N -1 0 339.351 2.825 20 30 EFEDRM CCN(CC)C(=O)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1 ZINC001226007968 1311601033 /nfs/dbraw/zinc/60/10/33/1311601033.db2.gz CAKTXISCPCOJRO-HNNXBMFYSA-N -1 0 343.358 2.786 20 30 EFEDRM C=CC[C@H](CCCC)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226015421 1311601285 /nfs/dbraw/zinc/60/12/85/1311601285.db2.gz GJUQKVFSRAVOMM-SNVBAGLBSA-N -1 0 339.348 2.781 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N ZINC001226013856 1311601386 /nfs/dbraw/zinc/60/13/86/1311601386.db2.gz RSMZKIROUAHYBK-ZDUSSCGKSA-N -1 0 349.362 2.742 20 30 EFEDRM C=C[C@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226016221 1311601495 /nfs/dbraw/zinc/60/14/95/1311601495.db2.gz WMNJBYDHLPENAB-NSHDSACASA-N -1 0 345.311 2.573 20 30 EFEDRM CCCCOC(=O)[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065694 1311608281 /nfs/dbraw/zinc/60/82/81/1311608281.db2.gz VARNVLRCCHRBQL-MRVPVSSYSA-N -1 0 332.278 2.788 20 30 EFEDRM CCOC(=O)[C@@H]1CCC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065623 1311608434 /nfs/dbraw/zinc/60/84/34/1311608434.db2.gz UJMIWISWSASJSR-LDYMZIIASA-N -1 0 344.289 2.788 20 30 EFEDRM CC(C)(C)OC(=O)N1CCOC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226109848 1311614947 /nfs/dbraw/zinc/61/49/47/1311614947.db2.gz KHAWODWXSYKKGL-BFERYNQYSA-N -1 0 336.388 2.509 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226222193 1311632517 /nfs/dbraw/zinc/63/25/17/1311632517.db2.gz VKSBGVWQMVDMKA-ZDUSSCGKSA-N -1 0 345.399 2.746 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1C#N ZINC001226222541 1311632563 /nfs/dbraw/zinc/63/25/63/1311632563.db2.gz DSOZRTPTRNYXNO-FPMFFAJLSA-N -1 0 345.399 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226222237 1311632665 /nfs/dbraw/zinc/63/26/65/1311632665.db2.gz WSXNKAYHKIFBMW-NSHDSACASA-N -1 0 333.388 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1C#N ZINC001226222943 1311633146 /nfs/dbraw/zinc/63/31/46/1311633146.db2.gz KHLCSDIJAVUVEW-OCCSQVGLSA-N -1 0 347.415 2.992 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1C#N ZINC001226224002 1311633226 /nfs/dbraw/zinc/63/32/26/1311633226.db2.gz XQGCPLIRGZYSOJ-LSDHHAIUSA-N -1 0 338.411 2.967 20 30 EFEDRM COc1ccccc1[C@H](Oc1nccc(/C=N/[O-])n1)C(F)(F)F ZINC001226255783 1311637669 /nfs/dbraw/zinc/63/76/69/1311637669.db2.gz MAIPJOSEYWSADU-KEGHGJGQSA-N -1 0 327.262 2.976 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(=O)[n-]c(C(F)(F)F)n1 ZINC001226344820 1311652839 /nfs/dbraw/zinc/65/28/39/1311652839.db2.gz SVPSEBQDEODAFV-MRVPVSSYSA-N -1 0 334.294 2.866 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(=O)[n-]c(C(F)(F)F)n1 ZINC001226344823 1311652990 /nfs/dbraw/zinc/65/29/90/1311652990.db2.gz SVPSEBQDEODAFV-QMMMGPOBSA-N -1 0 334.294 2.866 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(C)[n-]c(=O)c1F ZINC001226420495 1311664444 /nfs/dbraw/zinc/66/44/44/1311664444.db2.gz JRICGRZTVXIWAA-NSHDSACASA-N -1 0 339.367 2.574 20 30 EFEDRM C=C[C@H](CCCCCC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650077 1311702120 /nfs/dbraw/zinc/70/21/20/1311702120.db2.gz OVRNLSRDYBEBSA-SNVBAGLBSA-N -1 0 339.348 2.781 20 30 EFEDRM Cc1[n-]c(=O)nc(O[C@@H](C)C#C[Si](C)(C)C)c1Br ZINC001226788751 1311723495 /nfs/dbraw/zinc/72/34/95/1311723495.db2.gz ZWUYLKDFSTYKSW-QMMMGPOBSA-N -1 0 329.270 2.901 20 30 EFEDRM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccccc21 ZINC001226978191 1311749254 /nfs/dbraw/zinc/74/92/54/1311749254.db2.gz YRHZURMNZXFCTO-CQSZACIVSA-N -1 0 344.443 2.527 20 30 EFEDRM COc1cc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c2cc1OC ZINC001227282569 1311787985 /nfs/dbraw/zinc/78/79/85/1311787985.db2.gz PLIUGTMJKMQPDQ-UHFFFAOYSA-N -1 0 329.356 2.814 20 30 EFEDRM C=CCC(CC=C)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227323541 1311793772 /nfs/dbraw/zinc/79/37/72/1311793772.db2.gz FHCAYAZADQNCLF-UHFFFAOYSA-N -1 0 343.177 2.631 20 30 EFEDRM C=C[C@H](CCCC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227332850 1311794687 /nfs/dbraw/zinc/79/46/87/1311794687.db2.gz QNHQSFBYDCUIGF-MRVPVSSYSA-N -1 0 345.193 2.855 20 30 EFEDRM C=C[C@H](Oc1cc(OC)ccc1C(=O)c1ccccc1[O-])C(=O)OC ZINC001227411964 1311804160 /nfs/dbraw/zinc/80/41/60/1311804160.db2.gz VMTMSHAIVAIGPS-INIZCTEOSA-N -1 0 342.347 2.738 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C(C)(C)C)ccc1O ZINC001227425374 1311805664 /nfs/dbraw/zinc/80/56/64/1311805664.db2.gz VMIJDMQHZINLNA-CYBMUJFWSA-N -1 0 344.429 2.528 20 30 EFEDRM C[C@H](CC(C)(C)S)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227598061 1311826626 /nfs/dbraw/zinc/82/66/26/1311826626.db2.gz UEEDHJNVHGGNJB-RXMQYKEDSA-N -1 0 347.238 2.687 20 30 EFEDRM CSc1nc(O[C@@H](CC#N)c2ccccc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624808 1311833057 /nfs/dbraw/zinc/83/30/57/1311833057.db2.gz FTSVPAXCFVNBKL-JTQLQIEISA-N -1 0 332.341 2.846 20 30 EFEDRM Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)CS)c1C2=O ZINC001227995248 1311886433 /nfs/dbraw/zinc/88/64/33/1311886433.db2.gz VHTOVZYTZIJMGP-VIFPVBQESA-N -1 0 344.388 2.879 20 30 EFEDRM COC(=O)c1nnc(O[C@H]2Cc3ccccc3C#Cc3ccccc32)[n-]1 ZINC001228311177 1311929386 /nfs/dbraw/zinc/92/93/86/1311929386.db2.gz JZONQFXMIBOFOY-KRWDZBQOSA-N -1 0 345.358 2.667 20 30 EFEDRM COC(=O)c1nnc(O[C@H](C#C[Si](C)(C)C)c2ccccc2)[n-]1 ZINC001228308512 1311929391 /nfs/dbraw/zinc/92/93/91/1311929391.db2.gz JKIDDMPGTPVDRC-CYBMUJFWSA-N -1 0 329.432 2.592 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)ncc1Cl ZINC001228483959 1311954688 /nfs/dbraw/zinc/95/46/88/1311954688.db2.gz ZXFBRLGQIWMBME-SNVBAGLBSA-N -1 0 325.151 2.949 20 30 EFEDRM C#C[C@@H](Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1)C(C)C ZINC001228520997 1311960201 /nfs/dbraw/zinc/96/02/01/1311960201.db2.gz GWHMOTYXMYDLKT-MRXNPFEDSA-N -1 0 342.347 2.777 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C#N)c2cccc(F)c2)cc1[O-] ZINC001228814754 1312004079 /nfs/dbraw/zinc/00/40/79/1312004079.db2.gz RDQWDCNLGSSIRB-HNNXBMFYSA-N -1 0 346.270 2.870 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@@H]1Cc2cccc(Br)c2C1 ZINC001228900764 1312017137 /nfs/dbraw/zinc/01/71/37/1312017137.db2.gz HMZTUPFWLOETEZ-LLVKDONJSA-N -1 0 331.169 2.968 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3[n-]c(=O)ccc3C#N)C[C@H]21 ZINC001228898912 1312016988 /nfs/dbraw/zinc/01/69/88/1312016988.db2.gz OUPMRIHVHSIVQA-KWCYVHTRSA-N -1 0 345.399 2.826 20 30 EFEDRM C[C@@H](COc1ccccc1)OCCCOc1[n-]c(=O)ccc1C#N ZINC001228902164 1312017649 /nfs/dbraw/zinc/01/76/49/1312017649.db2.gz QLZMXQMDDBJKAM-AWEZNQCLSA-N -1 0 328.368 2.912 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccc2)cn1 ZINC001229077326 1312044790 /nfs/dbraw/zinc/04/47/90/1312044790.db2.gz NXCXXKDCAVWFAE-MRXNPFEDSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C)cc1C(C)C ZINC001229121873 1312050139 /nfs/dbraw/zinc/05/01/39/1312050139.db2.gz ANQUYTKEIUWDLP-AWEZNQCLSA-N -1 0 328.430 2.956 20 30 EFEDRM C=CCOCC(COCC=C)Oc1cc(O)cc2oc(=O)ccc12 ZINC001229136737 1312052241 /nfs/dbraw/zinc/05/22/41/1312052241.db2.gz ZHAUZTCIAYNQCE-UHFFFAOYSA-N -1 0 332.352 2.651 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000802866650 1312090507 /nfs/dbraw/zinc/09/05/07/1312090507.db2.gz HTDXDSJSQCITKM-AWEZNQCLSA-N -1 0 348.449 2.949 20 30 EFEDRM C#C[C@H](Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccncc1 ZINC001229622765 1312121087 /nfs/dbraw/zinc/12/10/87/1312121087.db2.gz GBTVLHBXLDOWBO-HOTGVXAUSA-N -1 0 338.388 2.729 20 30 EFEDRM C#C[C@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(=O)OCC ZINC001229798545 1312142406 /nfs/dbraw/zinc/14/24/06/1312142406.db2.gz YODIKJSNSBZJKT-INIZCTEOSA-N -1 0 338.315 2.596 20 30 EFEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000803029671 1312216137 /nfs/dbraw/zinc/21/61/37/1312216137.db2.gz BWWJIZXBIQWPIG-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC000803030818 1312216969 /nfs/dbraw/zinc/21/69/69/1312216969.db2.gz DKOYAMIDKLVSGS-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1NC1=CC(=O)CCC1 ZINC001163468632 1312319345 /nfs/dbraw/zinc/31/93/45/1312319345.db2.gz SXTUSBDQQWBRFT-UHFFFAOYSA-N -1 0 334.401 2.573 20 30 EFEDRM N#Cc1c(Cl)nc(Cl)c(N[C@H]2SC(=O)[N-]C2=O)c1Cl ZINC001163666353 1312357849 /nfs/dbraw/zinc/35/78/49/1312357849.db2.gz SPFYJACHVIAMBH-QMMMGPOBSA-N -1 0 337.575 2.634 20 30 EFEDRM C[Si](C)(C)C#Cc1cc(Cl)cnc1N[C@@H]1SC(=O)[N-]C1=O ZINC001163667351 1312357908 /nfs/dbraw/zinc/35/79/08/1312357908.db2.gz ZVYQWBPCCHWFEJ-GFCCVEGCSA-N -1 0 339.880 2.685 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)c1C#N ZINC000903129510 1312386030 /nfs/dbraw/zinc/38/60/30/1312386030.db2.gz AAKSHXMTUOPNPZ-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(-c2ccccc2)n1 ZINC001230944038 1312398299 /nfs/dbraw/zinc/39/82/99/1312398299.db2.gz RCTPKVGGEYMDII-OAHLLOKOSA-N -1 0 349.408 2.586 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)ccc1C#N ZINC000903145286 1312406352 /nfs/dbraw/zinc/40/63/52/1312406352.db2.gz SMMZGWGOLVTVGY-NSHDSACASA-N -1 0 334.228 2.587 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2cccc(C)c2C#N)nc1 ZINC000903146298 1312407110 /nfs/dbraw/zinc/40/71/10/1312407110.db2.gz VRAACBCTOJEANZ-UHFFFAOYSA-N -1 0 330.413 2.800 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)ncc1C#N ZINC000903170245 1312426185 /nfs/dbraw/zinc/42/61/85/1312426185.db2.gz FHZRMWQYAUMEDI-NSHDSACASA-N -1 0 334.228 2.587 20 30 EFEDRM N#C[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1F ZINC001231227386 1312457286 /nfs/dbraw/zinc/45/72/86/1312457286.db2.gz JVBCGOABJBNNGI-AWEZNQCLSA-N -1 0 333.231 2.991 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc([O-])c(F)c(F)c1F ZINC001245636392 1314517106 /nfs/dbraw/zinc/51/71/06/1314517106.db2.gz XEQUCPLFVOYTSC-CGOBSMCZSA-N -1 0 342.273 2.971 20 30 EFEDRM N#Cc1ccc(-c2cc(=O)n(C(=O)c3cc(-c4ccco4)n[nH]3)[n-]2)cc1 ZINC001245932987 1314551211 /nfs/dbraw/zinc/55/12/11/1314551211.db2.gz NZJXHJYYIOXNLN-UHFFFAOYSA-N -1 0 345.318 2.799 20 30 EFEDRM N#Cc1ccc(-c2cc(=O)n(-c3nccc(C(F)(F)F)n3)[n-]2)cc1 ZINC001245936695 1314551661 /nfs/dbraw/zinc/55/16/61/1314551661.db2.gz DQZNQHHDPOCUOY-UHFFFAOYSA-N -1 0 331.257 2.925 20 30 EFEDRM C#CCCc1cc(=O)n(C(=O)c2ccc(Br)s2)[n-]1 ZINC001245951719 1314554854 /nfs/dbraw/zinc/55/48/54/1314554854.db2.gz HVLVEMVLEKYSHT-UHFFFAOYSA-N -1 0 325.187 2.667 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1cc(OC)cc(C(=O)[O-])c1 ZINC001213586635 1314577436 /nfs/dbraw/zinc/57/74/36/1314577436.db2.gz GCGYLVBIKHFSLJ-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2cc(F)c(F)c(C(=O)[O-])c2)nc1C#N ZINC001215461864 1314838889 /nfs/dbraw/zinc/83/88/89/1314838889.db2.gz XVTVHTCPTMTKLU-UHFFFAOYSA-N -1 0 335.657 2.593 20 30 EFEDRM N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215695780 1314868925 /nfs/dbraw/zinc/86/89/25/1314868925.db2.gz VOCLFOBRZIQLIQ-UHFFFAOYSA-N -1 0 347.693 2.541 20 30 EFEDRM Cc1cc(-c2noc(C(F)(F)C(F)(F)C(=O)[O-])n2)ccc1C#N ZINC001248043788 1314883767 /nfs/dbraw/zinc/88/37/67/1314883767.db2.gz FOEFWHBJJAHFEJ-UHFFFAOYSA-N -1 0 329.209 2.728 20 30 EFEDRM Cc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1C#N ZINC001216076987 1314908978 /nfs/dbraw/zinc/90/89/78/1314908978.db2.gz REULYRFEKNJWGI-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM Nc1nonc1C(=N[O-])Nc1ccc(OCc2ccccc2F)cc1 ZINC001216655117 1314988639 /nfs/dbraw/zinc/98/86/39/1314988639.db2.gz UOQCIIRUFNAORG-UHFFFAOYSA-N -1 0 343.318 2.618 20 30 EFEDRM COC(=O)c1cc(Nc2cc(CC(=O)[O-])ccc2F)ccc1C#N ZINC001216684118 1314993369 /nfs/dbraw/zinc/99/33/69/1314993369.db2.gz XHIFZZCMCDGUOC-UHFFFAOYSA-N -1 0 328.299 2.855 20 30 EFEDRM Nc1nonc1C(=N[O-])Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC001216685420 1314993478 /nfs/dbraw/zinc/99/34/78/1314993478.db2.gz DNVYHAKPQUWPKW-UHFFFAOYSA-N -1 0 336.311 2.708 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c1[O-] ZINC001216979968 1315028050 /nfs/dbraw/zinc/02/80/50/1315028050.db2.gz NNKAACFUWOGGHK-UHFFFAOYSA-N -1 0 330.307 2.562 20 30 EFEDRM COc1ccncc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502574 1315079356 /nfs/dbraw/zinc/07/93/56/1315079356.db2.gz OGYRSDHCUFEGQP-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1ncnc(NC(=S)[N-]c2ccccc2SC)c1C#N ZINC001249690411 1315123362 /nfs/dbraw/zinc/12/33/62/1315123362.db2.gz WJSVPEBGOMTQFI-UHFFFAOYSA-N -1 0 331.426 2.888 20 30 EFEDRM N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC001250685268 1315242415 /nfs/dbraw/zinc/24/24/15/1315242415.db2.gz QPVGANQOBYNKPQ-UHFFFAOYSA-N -1 0 349.375 2.555 20 30 EFEDRM N#CC1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251387952 1315345619 /nfs/dbraw/zinc/34/56/19/1315345619.db2.gz SXERATPKLNUABU-UHFFFAOYSA-N -1 0 335.212 2.623 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)cc1 ZINC001251838534 1315381281 /nfs/dbraw/zinc/38/12/81/1315381281.db2.gz VFLJAQGHBNEOFG-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC001252178823 1315420444 /nfs/dbraw/zinc/42/04/44/1315420444.db2.gz YKXXHWLHOYELMK-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM O=S(=O)([N-]Cc1cc(F)ccc1OC(F)(F)F)C(F)(F)F ZINC001252274598 1315426048 /nfs/dbraw/zinc/42/60/48/1315426048.db2.gz WVNIWTFXAQADBJ-UHFFFAOYSA-N -1 0 341.204 2.664 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252817464 1315510652 /nfs/dbraw/zinc/51/06/52/1315510652.db2.gz NCBQSCIGABEBBL-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252888576 1315522207 /nfs/dbraw/zinc/52/22/07/1315522207.db2.gz MFNZSIUXHJRBPW-UHFFFAOYSA-N -1 0 331.393 2.971 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)c(C#N)c1 ZINC001253046991 1315560926 /nfs/dbraw/zinc/56/09/26/1315560926.db2.gz HRZHKTHDPLVYCK-MDZDMXLPSA-N -1 0 342.376 2.757 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253183876 1315577533 /nfs/dbraw/zinc/57/75/33/1315577533.db2.gz VOUYGCOMXKGLSJ-UHFFFAOYSA-N -1 0 343.124 2.625 20 30 EFEDRM C=CCCCCCC[C@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001253245992 1315584806 /nfs/dbraw/zinc/58/48/06/1315584806.db2.gz HARDSGANFMTAKN-KRWDZBQOSA-N -1 0 348.443 2.800 20 30 EFEDRM COc1cc(OC)cc(-c2nnc(CCC(=O)C3=CC=C[CH]3)o2)c1 ZINC001253880347 1315649693 /nfs/dbraw/zinc/64/96/93/1315649693.db2.gz BLNWOCNZVNTBLK-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM N#Cc1ccc(-c2cn(-c3ccc(CCCC(=O)[O-])cc3)nn2)cn1 ZINC001254083815 1315671583 /nfs/dbraw/zinc/67/15/83/1315671583.db2.gz BFVCMGQTJVGTIH-UHFFFAOYSA-N -1 0 333.351 2.608 20 30 EFEDRM C#CCOc1cccc(OCc2cn(-c3ccccc3C(=O)[O-])nn2)c1 ZINC001254098943 1315672507 /nfs/dbraw/zinc/67/25/07/1315672507.db2.gz QWKQNACFWCWVFP-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM C#CCOc1ccc(OCc2cn(-c3ccc(C(=O)[O-])cc3)nn2)cc1 ZINC001254099017 1315672619 /nfs/dbraw/zinc/67/26/19/1315672619.db2.gz XFSVKZZNKSEKAB-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC001254213283 1315683588 /nfs/dbraw/zinc/68/35/88/1315683588.db2.gz KJBIFXQCOGPSMJ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c1 ZINC001254425299 1315703238 /nfs/dbraw/zinc/70/32/38/1315703238.db2.gz KUGOKSMAOBOEHY-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c1 ZINC001254447312 1315705471 /nfs/dbraw/zinc/70/54/71/1315705471.db2.gz VAENDXQUWWTJNW-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM Cc1ccccc1S(=O)(=O)Nc1cccc(C#CC(C)(C)O)c1 ZINC001254611546 1315731321 /nfs/dbraw/zinc/73/13/21/1315731321.db2.gz OGPMKRFOPYIQMN-UHFFFAOYSA-N -1 0 329.421 2.918 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254949683 1315763557 /nfs/dbraw/zinc/76/35/57/1315763557.db2.gz LHSVEVCXKOBMAO-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccccc2F)c1C#N ZINC001255430068 1315823277 /nfs/dbraw/zinc/82/32/77/1315823277.db2.gz KMDMCLCJBWQCBS-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255647472 1315851662 /nfs/dbraw/zinc/85/16/62/1315851662.db2.gz GYDUBSVQBMDVSA-UHFFFAOYSA-N -1 0 335.356 2.969 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC001255732974 1315862596 /nfs/dbraw/zinc/86/25/96/1315862596.db2.gz OKYNRYGSUBCMTF-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC001255733688 1315862906 /nfs/dbraw/zinc/86/29/06/1315862906.db2.gz YHDAQASKVUUGFV-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001255984763 1315889078 /nfs/dbraw/zinc/88/90/78/1315889078.db2.gz SAUADJBZTOIMIB-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC001256550526 1315955405 /nfs/dbraw/zinc/95/54/05/1315955405.db2.gz ITXYQTKHEIUJAT-JOYOIKCWSA-N -1 0 326.190 2.698 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC001256550527 1315955933 /nfs/dbraw/zinc/95/59/33/1315955933.db2.gz ITXYQTKHEIUJAT-SKDRFNHKSA-N -1 0 326.190 2.698 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC001256581062 1315963578 /nfs/dbraw/zinc/96/35/78/1315963578.db2.gz NCRRMGVMDQVHRP-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cn1 ZINC001256592619 1315966128 /nfs/dbraw/zinc/96/61/28/1315966128.db2.gz IMKFCQZUJSSOOW-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)c2cccc(C)c2)c1C#N ZINC001256872320 1316002696 /nfs/dbraw/zinc/00/26/96/1316002696.db2.gz AYIMVTCUPWEUHR-UHFFFAOYSA-N -1 0 348.380 2.746 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC001256958858 1316015298 /nfs/dbraw/zinc/01/52/98/1316015298.db2.gz UFBXETHKACKTHH-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1OC ZINC001257010492 1316021161 /nfs/dbraw/zinc/02/11/61/1316021161.db2.gz WKJIQHGNMUIEML-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NC)cc1OCC ZINC000133264726 1316025768 /nfs/dbraw/zinc/02/57/68/1316025768.db2.gz CQWVDXZXBOEMIK-LLVKDONJSA-N -1 0 338.791 2.596 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257448398 1316066139 /nfs/dbraw/zinc/06/61/39/1316066139.db2.gz IATBGCHFVVCJAS-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001257567969 1316075208 /nfs/dbraw/zinc/07/52/08/1316075208.db2.gz SBAJPEAGVPOKCK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(OC(F)(F)F)c2)cc1 ZINC001258053960 1316115565 /nfs/dbraw/zinc/11/55/65/1316115565.db2.gz STTZLQOFWYDOLN-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(C)c1cc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn2n1 ZINC001258053523 1316115687 /nfs/dbraw/zinc/11/56/87/1316115687.db2.gz FLAWSHXEZAUZMS-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cncc(-c2ccccn2)c1 ZINC001258214694 1316131963 /nfs/dbraw/zinc/13/19/63/1316131963.db2.gz OGAFGKJHRDUMBQ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cncc(OC(F)(F)F)c1 ZINC001258215065 1316132005 /nfs/dbraw/zinc/13/20/05/1316132005.db2.gz YQPDQFPSAXAPKU-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C)c1 ZINC001258266611 1316135352 /nfs/dbraw/zinc/13/53/52/1316135352.db2.gz PCEVITHIQVHGGW-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)cc2snnc21 ZINC001258283286 1316136320 /nfs/dbraw/zinc/13/63/20/1316136320.db2.gz OEKDYKHEUAWTSX-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM CC(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258278778 1316136328 /nfs/dbraw/zinc/13/63/28/1316136328.db2.gz GEIFQUQQTGNBDZ-UHFFFAOYSA-N -1 0 344.392 2.924 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001258426232 1316150094 /nfs/dbraw/zinc/15/00/94/1316150094.db2.gz OPHRBKAQGPTESQ-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cc(C#N)c1 ZINC001258432193 1316150517 /nfs/dbraw/zinc/15/05/17/1316150517.db2.gz VLBHKFLSWGQSTK-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)ccc(C)c1C#N ZINC001258442634 1316150533 /nfs/dbraw/zinc/15/05/33/1316150533.db2.gz BFMUIQLCEHHBHX-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001258937173 1316193970 /nfs/dbraw/zinc/19/39/70/1316193970.db2.gz MTDNLZAWLPSBKU-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C#N)c1 ZINC001258947532 1316195241 /nfs/dbraw/zinc/19/52/41/1316195241.db2.gz NUDGQYJBGGEIKA-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(OC)c1 ZINC001258959268 1316197275 /nfs/dbraw/zinc/19/72/75/1316197275.db2.gz QRTYMUDWLWMDES-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)C[C@](C)(C#N)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC001258979684 1316198704 /nfs/dbraw/zinc/19/87/04/1316198704.db2.gz UBZONPIELLVRMS-XKQJLSEDSA-N -1 0 340.489 2.630 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC001259045551 1316201886 /nfs/dbraw/zinc/20/18/86/1316201886.db2.gz PCGKJSFGSRPFCJ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C#N)n1 ZINC001259046357 1316202034 /nfs/dbraw/zinc/20/20/34/1316202034.db2.gz ZFMRULFPLOHIFB-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC001259053433 1316202779 /nfs/dbraw/zinc/20/27/79/1316202779.db2.gz OLDYJSQDSBZTKG-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069345 1316204008 /nfs/dbraw/zinc/20/40/08/1316204008.db2.gz SWCWXXJWEXMBBO-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C#N ZINC001259079695 1316206188 /nfs/dbraw/zinc/20/61/88/1316206188.db2.gz NRVXJQYVNFYQMB-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cnc(NS(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC001259084745 1316206649 /nfs/dbraw/zinc/20/66/49/1316206649.db2.gz JHROHZYBKFUWPH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2O)c(Cl)c1 ZINC001259107042 1316210284 /nfs/dbraw/zinc/21/02/84/1316210284.db2.gz AGZAWOBMUPTYPV-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CSc1nccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC001259107022 1316210489 /nfs/dbraw/zinc/21/04/89/1316210489.db2.gz YUMWDYJYVXHENG-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc3cnccc32)c(Cl)c1 ZINC001259107370 1316210657 /nfs/dbraw/zinc/21/06/57/1316210657.db2.gz SPZPPJWRJHPWQR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C#N)c1 ZINC001259112039 1316210886 /nfs/dbraw/zinc/21/08/86/1316210886.db2.gz KIEFJMLWUOSCNE-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1c(CO)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259112545 1316211135 /nfs/dbraw/zinc/21/11/35/1316211135.db2.gz RYKAYTXPNHJFQI-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cn1ncc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259112610 1316211172 /nfs/dbraw/zinc/21/11/72/1316211172.db2.gz XKZOYYRBCBDLPM-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)c(Cl)c1 ZINC001259112578 1316211181 /nfs/dbraw/zinc/21/11/81/1316211181.db2.gz VLIIYFWTLGCBKT-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)cc2ccccc21 ZINC001259118912 1316211598 /nfs/dbraw/zinc/21/15/98/1316211598.db2.gz WJUBAPRIDAUHJG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N ZINC001259119023 1316211604 /nfs/dbraw/zinc/21/16/04/1316211604.db2.gz CTLQBOVKXAGTLQ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)n(CC2CCC2)n1 ZINC001259118438 1316211670 /nfs/dbraw/zinc/21/16/70/1316211670.db2.gz HJMQKIRGIKALAC-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccn2)c1 ZINC001259119320 1316211764 /nfs/dbraw/zinc/21/17/64/1316211764.db2.gz UMQUTBYQXFRILE-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c3nccn3c2)c1 ZINC001259118232 1316211778 /nfs/dbraw/zinc/21/17/78/1316211778.db2.gz ISQNVRRNYUQCLW-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(=O)c1oc2cccnc2c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259118958 1316211912 /nfs/dbraw/zinc/21/19/12/1316211912.db2.gz YVKFMWFDGGNKRG-UHFFFAOYSA-N -1 0 341.348 2.703 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)c1 ZINC001259126265 1316212734 /nfs/dbraw/zinc/21/27/34/1316212734.db2.gz UNSDIUOWHILEJO-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c1 ZINC001259126223 1316212840 /nfs/dbraw/zinc/21/28/40/1316212840.db2.gz SFPAPIIAIXJMNK-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001259196845 1316218225 /nfs/dbraw/zinc/21/82/25/1316218225.db2.gz HLEIAHNLKHHRAX-UHFFFAOYSA-N -1 0 349.412 2.962 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC001259332243 1316230969 /nfs/dbraw/zinc/23/09/69/1316230969.db2.gz NNBDHUFNNGGSGF-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259361279 1316233178 /nfs/dbraw/zinc/23/31/78/1316233178.db2.gz MYAQUHUCZGCZES-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1C#N ZINC001259361159 1316233274 /nfs/dbraw/zinc/23/32/74/1316233274.db2.gz HGOZXKWNIHMOBY-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259383948 1316235850 /nfs/dbraw/zinc/23/58/50/1316235850.db2.gz HUKCCXIPMHUQIV-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C#N ZINC001259390558 1316236244 /nfs/dbraw/zinc/23/62/44/1316236244.db2.gz LLRCZCXGSKAMGH-UHFFFAOYSA-N -1 0 336.423 2.734 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391347 1316236269 /nfs/dbraw/zinc/23/62/69/1316236269.db2.gz DXXICQFSBKPEIJ-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259397151 1316237282 /nfs/dbraw/zinc/23/72/82/1316237282.db2.gz SMQHUGCUZZTBCH-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)ccc1F ZINC001259412953 1316239208 /nfs/dbraw/zinc/23/92/08/1316239208.db2.gz WWDZMCSXNLNAPA-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1C#N ZINC001259412462 1316239459 /nfs/dbraw/zinc/23/94/59/1316239459.db2.gz JRFZPAFEIFHURG-UHFFFAOYSA-N -1 0 348.359 2.655 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)ccc1F ZINC001259413174 1316239822 /nfs/dbraw/zinc/23/98/22/1316239822.db2.gz VPJKXYHRXWQIOX-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418936 1316240174 /nfs/dbraw/zinc/24/01/74/1316240174.db2.gz YUEMAAVXPXCYJH-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259431877 1316242352 /nfs/dbraw/zinc/24/23/52/1316242352.db2.gz ZSUSKRVXSWIDPF-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c(C#N)c1 ZINC001259439542 1316243475 /nfs/dbraw/zinc/24/34/75/1316243475.db2.gz KQHOUGGHJVWCJE-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1 ZINC001259445607 1316244246 /nfs/dbraw/zinc/24/42/46/1316244246.db2.gz MAZWIRJUXHDHNC-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C#N ZINC001259451972 1316244965 /nfs/dbraw/zinc/24/49/65/1316244965.db2.gz KHZAOZZDKUHCBK-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259469361 1316247320 /nfs/dbraw/zinc/24/73/20/1316247320.db2.gz FFUOONHPHOXASL-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C ZINC001259484357 1316249623 /nfs/dbraw/zinc/24/96/23/1316249623.db2.gz ISNNIVIEILGTPB-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C#N)c1 ZINC001259490788 1316250918 /nfs/dbraw/zinc/25/09/18/1316250918.db2.gz PWYLQZVWKXCLMU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259494773 1316251033 /nfs/dbraw/zinc/25/10/33/1316251033.db2.gz AFEOSNSZAWOYEP-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1C#N ZINC001259500997 1316252127 /nfs/dbraw/zinc/25/21/27/1316252127.db2.gz VGEGTBRYKLRWAH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(O)cc1F ZINC001259501532 1316252177 /nfs/dbraw/zinc/25/21/77/1316252177.db2.gz LVIOKXAMBMHMRA-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259507149 1316253366 /nfs/dbraw/zinc/25/33/66/1316253366.db2.gz CPMQEQNVGGPPQR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1cccnc1 ZINC001259608072 1316261118 /nfs/dbraw/zinc/26/11/18/1316261118.db2.gz SCRDCLKUBWHWLR-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C=CCOC(=O)[C@@H](NS(=O)(=O)CC1CCCCC1)[C@@H](C)CC ZINC001259621274 1316263279 /nfs/dbraw/zinc/26/32/79/1316263279.db2.gz WGDHHJBAYSAJJI-ZFWWWQNUSA-N -1 0 331.478 2.630 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619794 1316263466 /nfs/dbraw/zinc/26/34/66/1316263466.db2.gz JCFKRSTVAJVBED-UHFFFAOYSA-N -1 0 336.413 2.667 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001259631892 1316264920 /nfs/dbraw/zinc/26/49/20/1316264920.db2.gz FBRNHJHCPWLVKX-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(C)c2)c(C#N)c1 ZINC001259750292 1316272226 /nfs/dbraw/zinc/27/22/26/1316272226.db2.gz QJADLOYLGMOYHM-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259773812 1316275948 /nfs/dbraw/zinc/27/59/48/1316275948.db2.gz PMIOSTITKPQYKS-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259787274 1316278361 /nfs/dbraw/zinc/27/83/61/1316278361.db2.gz PABPWDLDDYZSPY-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1[N-]S(=O)(=O)C1CCCCC1 ZINC001259808893 1316282361 /nfs/dbraw/zinc/28/23/61/1316282361.db2.gz KUNIFAUIXGZKJV-UHFFFAOYSA-N -1 0 348.403 2.957 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cc2)cn1 ZINC001259827730 1316284683 /nfs/dbraw/zinc/28/46/83/1316284683.db2.gz MESQFFFYVGKLDB-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C#N)cn1 ZINC001259838631 1316285496 /nfs/dbraw/zinc/28/54/96/1316285496.db2.gz ZFZYASUBDXDETK-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC001259851629 1316287169 /nfs/dbraw/zinc/28/71/69/1316287169.db2.gz ZBFSJDPESHNRBI-UHFFFAOYSA-N -1 0 334.328 2.535 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)CCC(F)(F)F)c1C#N ZINC001259866613 1316289667 /nfs/dbraw/zinc/28/96/67/1316289667.db2.gz IHXGOXRDTZLZLG-UHFFFAOYSA-N -1 0 325.312 2.538 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1 ZINC001259892774 1316293897 /nfs/dbraw/zinc/29/38/97/1316293897.db2.gz MRDIANBTHDXEHW-UHFFFAOYSA-N -1 0 349.412 2.794 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cccc(OC)c2C#N)cc1 ZINC001259900845 1316295245 /nfs/dbraw/zinc/29/52/45/1316295245.db2.gz SZGZYIBPUGTMJE-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1 ZINC001259901985 1316295458 /nfs/dbraw/zinc/29/54/58/1316295458.db2.gz SSVGWZVTQIKZKC-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259989418 1316303919 /nfs/dbraw/zinc/30/39/19/1316303919.db2.gz UCPKUZYETFHBKU-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)ccc1O ZINC001259996541 1316304465 /nfs/dbraw/zinc/30/44/65/1316304465.db2.gz ATVBVMNLEDILTC-UHFFFAOYSA-N -1 0 347.377 2.781 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)c(O)c1 ZINC001259997199 1316304703 /nfs/dbraw/zinc/30/47/03/1316304703.db2.gz CJBIRHIMLIOAPG-UHFFFAOYSA-N -1 0 347.377 2.781 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC001260011260 1316305826 /nfs/dbraw/zinc/30/58/26/1316305826.db2.gz ITTSKHCPNQOWBN-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260011618 1316306159 /nfs/dbraw/zinc/30/61/59/1316306159.db2.gz YEEBJYUFCOXHHB-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260011032 1316306177 /nfs/dbraw/zinc/30/61/77/1316306177.db2.gz VLRQJGAXFOMWQL-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2ncnc3sccc32)cc1 ZINC001260037932 1316309691 /nfs/dbraw/zinc/30/96/91/1316309691.db2.gz IHPLKQSUBRNIFT-UHFFFAOYSA-N -1 0 330.394 2.505 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1 ZINC001260038707 1316310273 /nfs/dbraw/zinc/31/02/73/1316310273.db2.gz TXPFGCQLNBFWDX-UHFFFAOYSA-N -1 0 340.364 2.550 20 30 EFEDRM COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043890 1316310445 /nfs/dbraw/zinc/31/04/45/1316310445.db2.gz PKUKDNKPCQZWCA-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1sccc1C ZINC001260069017 1316313075 /nfs/dbraw/zinc/31/30/75/1316313075.db2.gz DGHLQQHVYNTBJF-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM N#Cc1cc(Cl)cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260190053 1316321710 /nfs/dbraw/zinc/32/17/10/1316321710.db2.gz YEUSDGFBTBNECB-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001260202821 1316323211 /nfs/dbraw/zinc/32/32/11/1316323211.db2.gz WBMWOVZTWILWFF-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)cn1 ZINC001260279206 1316327796 /nfs/dbraw/zinc/32/77/96/1316327796.db2.gz QYEYPUZOOCCZOA-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260278281 1316327802 /nfs/dbraw/zinc/32/78/02/1316327802.db2.gz CRIQXQYIFJGYKA-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC001260297543 1316330262 /nfs/dbraw/zinc/33/02/62/1316330262.db2.gz LDDIVMJJPGNVAM-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC001260307121 1316330781 /nfs/dbraw/zinc/33/07/81/1316330781.db2.gz KBZMCEACXHLPKJ-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 ZINC001260356412 1316334388 /nfs/dbraw/zinc/33/43/88/1316334388.db2.gz ZKNHWXZQQNKOMD-CYBMUJFWSA-N -1 0 344.289 2.786 20 30 EFEDRM N#CC12CCC([N-]S(=O)(=O)c3c(F)cc(F)cc3F)(CC1)CC2 ZINC001260356381 1316334494 /nfs/dbraw/zinc/33/44/94/1316334494.db2.gz XQQSTWWRZVDYIU-UHFFFAOYSA-N -1 0 344.358 2.999 20 30 EFEDRM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)s1 ZINC001260356634 1316334729 /nfs/dbraw/zinc/33/47/29/1316334729.db2.gz JAHGTQFYLQDNNH-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C#N ZINC001260365821 1316335053 /nfs/dbraw/zinc/33/50/53/1316335053.db2.gz UQWPKDFKKUOSSW-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260388432 1316336370 /nfs/dbraw/zinc/33/63/70/1316336370.db2.gz JCJMORLJYRPNGY-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1F ZINC001260389188 1316337016 /nfs/dbraw/zinc/33/70/16/1316337016.db2.gz XIXWIDIESDCUDF-UHFFFAOYSA-N -1 0 348.384 2.697 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3nonc32)c1C#N ZINC001260442022 1316339102 /nfs/dbraw/zinc/33/91/02/1316339102.db2.gz GTYBESOIOSZBTQ-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 ZINC001260446729 1316339415 /nfs/dbraw/zinc/33/94/15/1316339415.db2.gz LITPOYWRCJBFIQ-UHFFFAOYSA-N -1 0 346.389 2.835 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)n1 ZINC001260528153 1316343476 /nfs/dbraw/zinc/34/34/76/1316343476.db2.gz UJCKQNDNCQYAIZ-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2c(C#N)ccc3ccccc32)cn1C ZINC001260548553 1316345384 /nfs/dbraw/zinc/34/53/84/1316345384.db2.gz QAMIABMBCIUSEA-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cc1 ZINC001260567590 1316346345 /nfs/dbraw/zinc/34/63/45/1316346345.db2.gz ZYNWPFYFYHLSHO-UHFFFAOYSA-N -1 0 332.429 2.825 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)cc1 ZINC001260573859 1316347659 /nfs/dbraw/zinc/34/76/59/1316347659.db2.gz YYTJUHWMCNGWKX-UHFFFAOYSA-N -1 0 346.412 2.636 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628020 1316350319 /nfs/dbraw/zinc/35/03/19/1316350319.db2.gz AJCQEZSDHCZODQ-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1C ZINC001260638454 1316352278 /nfs/dbraw/zinc/35/22/78/1316352278.db2.gz JYJVCMZAQJAZNL-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001260643793 1316353071 /nfs/dbraw/zinc/35/30/71/1316353071.db2.gz HFHXJTQJALVZHK-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(CC#N)c1 ZINC001260651009 1316354508 /nfs/dbraw/zinc/35/45/08/1316354508.db2.gz KXQORSUSACOLGU-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC001260650812 1316354782 /nfs/dbraw/zinc/35/47/82/1316354782.db2.gz KIQCAZMEVWYLKT-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC001260684859 1316358672 /nfs/dbraw/zinc/35/86/72/1316358672.db2.gz AGSORJGPPFJVKX-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2Cl)c(C#N)cc1C#N ZINC001260690497 1316359686 /nfs/dbraw/zinc/35/96/86/1316359686.db2.gz ZYKCDQJDKXROIP-UHFFFAOYSA-N -1 0 346.799 2.729 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C#N)c1 ZINC001260761860 1316365660 /nfs/dbraw/zinc/36/56/60/1316365660.db2.gz ZSIWKYZXWCGERL-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#CCCN(CCC#N)S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260874530 1316374662 /nfs/dbraw/zinc/37/46/62/1316374662.db2.gz RBMRPLODBJGCNI-UHFFFAOYSA-N -1 0 348.211 2.517 20 30 EFEDRM C#Cc1ccc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260871242 1316374879 /nfs/dbraw/zinc/37/48/79/1316374879.db2.gz LFGDPZWALNLANR-UHFFFAOYSA-N -1 0 343.191 2.876 20 30 EFEDRM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260880225 1316375263 /nfs/dbraw/zinc/37/52/63/1316375263.db2.gz NPKQLIKULNHIDR-QMMMGPOBSA-N -1 0 337.228 2.916 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)o1 ZINC001260890531 1316375501 /nfs/dbraw/zinc/37/55/01/1316375501.db2.gz NXJMLXPNCJPPCW-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C#N ZINC001261015057 1316384918 /nfs/dbraw/zinc/38/49/18/1316384918.db2.gz YMPWNMXWVRIKGA-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261072376 1316387944 /nfs/dbraw/zinc/38/79/44/1316387944.db2.gz OLWRZUHQVZVGFH-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261070930 1316387962 /nfs/dbraw/zinc/38/79/62/1316387962.db2.gz CPOFVMYQOLFLBL-UHFFFAOYSA-N -1 0 348.771 2.743 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)o1 ZINC001261130187 1316392306 /nfs/dbraw/zinc/39/23/06/1316392306.db2.gz IBSNFKJRTAPTBQ-UHFFFAOYSA-N -1 0 331.328 2.882 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001261278140 1316401177 /nfs/dbraw/zinc/40/11/77/1316401177.db2.gz YKMYLIVYAMJRFI-UHFFFAOYSA-N -1 0 338.385 2.536 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001261292126 1316402418 /nfs/dbraw/zinc/40/24/18/1316402418.db2.gz VAPNMDJBWQLYDR-BXKDBHETSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001261292283 1316402511 /nfs/dbraw/zinc/40/25/11/1316402511.db2.gz ZVUUYTYJODCTHG-IKGGRYGDSA-N -1 0 346.427 2.791 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC001261889290 1316436556 /nfs/dbraw/zinc/43/65/56/1316436556.db2.gz UIWILQVBWGQELX-SKDRFNHKSA-N -1 0 346.305 2.975 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1ccc(C)cc1=O ZINC001263137646 1316518016 /nfs/dbraw/zinc/51/80/16/1316518016.db2.gz NTQKQRFNNOIKDX-HNNXBMFYSA-N -1 0 347.374 2.538 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2nccs2)n1 ZINC001263289417 1316527791 /nfs/dbraw/zinc/52/77/91/1316527791.db2.gz FCTUMSZKRUHKTP-TYRPZCRBSA-N -1 0 333.394 2.666 20 30 EFEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc(N)c2ccccc2n1 ZINC001263292825 1316528330 /nfs/dbraw/zinc/52/83/30/1316528330.db2.gz UKTPPOSBMZZRID-CYBMUJFWSA-N -1 0 347.378 2.959 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001263323593 1316530569 /nfs/dbraw/zinc/53/05/69/1316530569.db2.gz USIZDRIUEXNHPV-GFCCVEGCSA-N -1 0 341.371 2.802 20 30 EFEDRM C=C(C)Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCCC1 ZINC001263324617 1316530760 /nfs/dbraw/zinc/53/07/60/1316530760.db2.gz YGLBZRNQOVEFMP-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2cccc(C#N)c2)n1)c1cccc(F)n1 ZINC001263381703 1316539947 /nfs/dbraw/zinc/53/99/47/1316539947.db2.gz CTYIBUZVIZCEGT-CQSZACIVSA-N -1 0 331.310 2.768 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N=c2cc[nH]c3ccccc32)cc1C#N ZINC001264465413 1316618254 /nfs/dbraw/zinc/61/82/54/1316618254.db2.gz AZWFAJIEEUCJHZ-UHFFFAOYSA-N -1 0 336.376 2.603 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC001319056990 1328772122 /nfs/dbraw/zinc/77/21/22/1328772122.db2.gz YZXDZCMKRCJOHQ-UHFFFAOYSA-N -1 0 334.335 2.885 20 30 EFEDRM COc1nc(Cl)c(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1C ZINC001319496673 1328901788 /nfs/dbraw/zinc/90/17/88/1328901788.db2.gz QMFOUOSIOUNMKX-XQRVVYSFSA-N -1 0 337.719 2.592 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cc(OCC(F)F)ccn2)c1 ZINC001319880922 1329026151 /nfs/dbraw/zinc/02/61/51/1329026151.db2.gz VPDPHINVKAPPNG-CNHKJKLMSA-N -1 0 337.282 2.958 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(Br)n1 ZINC001319993634 1329051480 /nfs/dbraw/zinc/05/14/80/1329051480.db2.gz LEHPZPATEOFGEG-FNORWQNLSA-N -1 0 330.141 2.979 20 30 EFEDRM CC(=NNC(=S)NC(C)C)c1cc(Br)cc(F)c1[O-] ZINC001320886058 1329314420 /nfs/dbraw/zinc/31/44/20/1329314420.db2.gz QXRLUZIQNQNJEB-UHFFFAOYSA-N -1 0 348.241 2.890 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001321167604 1329351591 /nfs/dbraw/zinc/35/15/91/1329351591.db2.gz ZZTSGDKWEKGESF-QPUJVOFHSA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)[O-] ZINC001321167302 1329351757 /nfs/dbraw/zinc/35/17/57/1329351757.db2.gz STCUMNGNUSFUJP-AWEZNQCLSA-N -1 0 333.315 2.757 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)[O-] ZINC001321167303 1329351844 /nfs/dbraw/zinc/35/18/44/1329351844.db2.gz STCUMNGNUSFUJP-CQSZACIVSA-N -1 0 333.315 2.757 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321339388 1329375079 /nfs/dbraw/zinc/37/50/79/1329375079.db2.gz NGNQYAXJQBEYOC-KOLCDFICSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)[O-] ZINC001321581914 1329396753 /nfs/dbraw/zinc/39/67/53/1329396753.db2.gz BYTFZQZFYZPODF-CYBMUJFWSA-N -1 0 339.342 2.716 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Cl)c(-n2cccc2)cc1OC)C(=O)[O-] ZINC001321657080 1329401359 /nfs/dbraw/zinc/40/13/59/1329401359.db2.gz BXGSCBHJQAMQQW-ZDUSSCGKSA-N -1 0 348.786 2.898 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001321657409 1329401694 /nfs/dbraw/zinc/40/16/94/1329401694.db2.gz GVSTTWUWVSGASN-IAGOWNOFSA-N -1 0 325.364 2.952 20 30 EFEDRM CC(=NNC(=S)NCc1cccnc1)c1cc(Cl)ccc1O ZINC001317703249 1328308435 /nfs/dbraw/zinc/30/84/35/1328308435.db2.gz FUXAJOLJYYWCFK-UHFFFAOYSA-N -1 0 334.832 2.829 20 30 EFEDRM COc1cc(O)ccc1/C=C\C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC001317743636 1328344893 /nfs/dbraw/zinc/34/48/93/1328344893.db2.gz QOUWEGWGCJCUGX-DAXSKMNVSA-N -1 0 342.347 2.933 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)oc1ccccc12 ZINC001322074522 1329426730 /nfs/dbraw/zinc/42/67/30/1329426730.db2.gz ZRAAUNAMNSPILH-UHFFFAOYSA-N -1 0 342.376 2.949 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccco2)nn1C ZINC001322148996 1329433355 /nfs/dbraw/zinc/43/33/55/1329433355.db2.gz KTBZTIRUESFSHZ-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM C#CCN(CC1CC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001322311619 1329445794 /nfs/dbraw/zinc/44/57/94/1329445794.db2.gz BPFUSSDSXPTOQF-UHFFFAOYSA-N -1 0 329.787 2.717 20 30 EFEDRM C=CC[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)C(=O)[O-] ZINC001322601611 1329471070 /nfs/dbraw/zinc/47/10/70/1329471070.db2.gz NHLBWVFSVCSKJV-LLVKDONJSA-N -1 0 332.381 2.578 20 30 EFEDRM N#CCOc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC001323666420 1329559841 /nfs/dbraw/zinc/55/98/41/1329559841.db2.gz BWGDXNFAOHQDNE-UHFFFAOYSA-N -1 0 345.405 2.999 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001324530201 1329636655 /nfs/dbraw/zinc/63/66/55/1329636655.db2.gz KTYCVMZVMNRBFP-AWEZNQCLSA-N -1 0 330.409 2.555 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001325143700 1329673165 /nfs/dbraw/zinc/67/31/65/1329673165.db2.gz MBVLLECUKPYOMR-CQSZACIVSA-N -1 0 333.775 2.593 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC001416989515 1351708051 /nfs/dbraw/zinc/70/80/51/1351708051.db2.gz AWBFYCVQFGQQPL-UHFFFAOYSA-N -1 0 333.369 2.944 20 30 EFEDRM C=CC[C@H](NC(=O)NCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001326931651 1330385698 /nfs/dbraw/zinc/38/56/98/1330385698.db2.gz SJGXWZCOENCKCZ-HNNXBMFYSA-N -1 0 334.416 2.691 20 30 EFEDRM C=CC[C@@H](NC(=O)c1sc(Cc2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001327013385 1330398778 /nfs/dbraw/zinc/39/87/78/1330398778.db2.gz KWJOAYBHNUEOAR-CYBMUJFWSA-N -1 0 348.399 2.941 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001327013323 1330398840 /nfs/dbraw/zinc/39/88/40/1330398840.db2.gz JXQNWZNVDZEHKR-LBPRGKRZSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC001327012794 1330399217 /nfs/dbraw/zinc/39/92/17/1330399217.db2.gz FADDAKUURTZFPP-ZDUSSCGKSA-N -1 0 344.392 2.760 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cccnc2N(C)C)cc1CC(=O)[O-] ZINC001328934845 1330647786 /nfs/dbraw/zinc/64/77/86/1330647786.db2.gz LPPXSXHAFZCKNN-VURMDHGXSA-N -1 0 340.379 2.679 20 30 EFEDRM C=CCc1cc(CNCc2nc(CC(=O)[O-])cs2)cc(OC)c1O ZINC001332222866 1330944526 /nfs/dbraw/zinc/94/45/26/1330944526.db2.gz NREVPGMWFSERRV-UHFFFAOYSA-N -1 0 348.424 2.503 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001332489303 1330977252 /nfs/dbraw/zinc/97/72/52/1330977252.db2.gz NDAFLIDJQRMHFG-VIFPVBQESA-N -1 0 346.305 2.770 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332614315 1330990114 /nfs/dbraw/zinc/99/01/14/1330990114.db2.gz WOCBHSYWZHTOMF-SKDRFNHKSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CCC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001334055215 1331242853 /nfs/dbraw/zinc/24/28/53/1331242853.db2.gz KARFUZWJYSLAOA-NSHDSACASA-N -1 0 332.169 2.803 20 30 EFEDRM C=C(C)CCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1 ZINC001337250294 1331553991 /nfs/dbraw/zinc/55/39/91/1331553991.db2.gz MVNDPXDFKUWPLB-UHFFFAOYSA-N -1 0 342.399 2.621 20 30 EFEDRM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]n(CC)c2=O)n1CC=C ZINC001338694761 1331726328 /nfs/dbraw/zinc/72/63/28/1331726328.db2.gz ZLPZZTDBDOUSJY-AWEZNQCLSA-N -1 0 342.447 2.988 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N(Cc1ccco1)C(C)C ZINC001338885678 1331752682 /nfs/dbraw/zinc/75/26/82/1331752682.db2.gz SXICHYSXGOBKNV-UHFFFAOYSA-N -1 0 329.360 2.833 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001338885819 1331752759 /nfs/dbraw/zinc/75/27/59/1331752759.db2.gz UYIFJPUFNRZHSV-OBJOEFQTSA-N -1 0 329.404 2.840 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001338885827 1331752926 /nfs/dbraw/zinc/75/29/26/1331752926.db2.gz UYIFJPUFNRZHSV-SGMGOOAPSA-N -1 0 329.404 2.840 20 30 EFEDRM C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001338963205 1331762392 /nfs/dbraw/zinc/76/23/92/1331762392.db2.gz HVICGCGMGDJOSI-AWEZNQCLSA-N -1 0 340.431 2.643 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001339814751 1332104083 /nfs/dbraw/zinc/10/40/83/1332104083.db2.gz MIXVVZGTWKXJJU-RWMBFGLXSA-N -1 0 338.415 2.584 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@@H](C)CC ZINC001339815075 1332104195 /nfs/dbraw/zinc/10/41/95/1332104195.db2.gz UFWWIYDRLIADLZ-LBPRGKRZSA-N -1 0 326.404 2.586 20 30 EFEDRM C=CC1CCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2CC)CC1 ZINC001340197789 1332152695 /nfs/dbraw/zinc/15/26/95/1332152695.db2.gz OOXGPUWXJUNFSK-UHFFFAOYSA-N -1 0 343.387 2.981 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccoc1C ZINC001340331067 1332175544 /nfs/dbraw/zinc/17/55/44/1332175544.db2.gz IAXBBSCXDFBMPM-UHFFFAOYSA-N -1 0 342.403 2.591 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]1C1CCC1 ZINC001340331941 1332175701 /nfs/dbraw/zinc/17/57/01/1332175701.db2.gz SVGRBFLFQAUVIS-OAHLLOKOSA-N -1 0 342.447 2.822 20 30 EFEDRM CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001341113260 1332234880 /nfs/dbraw/zinc/23/48/80/1332234880.db2.gz XEITXXDAHOLUBR-UHFFFAOYSA-N -1 0 340.470 2.675 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncc(C)cc2C)n1 ZINC001341802530 1332285548 /nfs/dbraw/zinc/28/55/48/1332285548.db2.gz NRJHHUVYNAAPOW-NSHDSACASA-N -1 0 329.381 2.822 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Nc2nccs2)c1 ZINC001341919399 1332288266 /nfs/dbraw/zinc/28/82/66/1332288266.db2.gz SZQDLMPYZIWUPO-CQSZACIVSA-N -1 0 340.408 2.832 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Nc2nccs2)c1 ZINC001341919387 1332288697 /nfs/dbraw/zinc/28/86/97/1332288697.db2.gz SZQDLMPYZIWUPO-AWEZNQCLSA-N -1 0 340.408 2.832 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2scnc2c1 ZINC001342020654 1332295628 /nfs/dbraw/zinc/29/56/28/1332295628.db2.gz LUNZBZNZERCDBB-ZDUSSCGKSA-N -1 0 345.424 2.550 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001342027371 1332296394 /nfs/dbraw/zinc/29/63/94/1332296394.db2.gz YEFVGNYRZXTPFU-CHWSQXEVSA-N -1 0 330.436 2.535 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(-c2cccc(C)c2)c1 ZINC001342032595 1332296665 /nfs/dbraw/zinc/29/66/65/1332296665.db2.gz GNJGQOMSNUXPDR-SFHVURJKSA-N -1 0 336.391 2.747 20 30 EFEDRM Cn1ccnc1[C@H](C#N)C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC001342173250 1332313006 /nfs/dbraw/zinc/31/30/06/1332313006.db2.gz KYDNJUFAALYCRB-OAHLLOKOSA-N -1 0 331.379 2.973 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)[C@@H](C)CC ZINC001342352001 1332328026 /nfs/dbraw/zinc/32/80/26/1332328026.db2.gz ILLMXYKQELKRPA-LBPRGKRZSA-N -1 0 326.404 2.728 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)[C@H](C)CC ZINC001342352000 1332328113 /nfs/dbraw/zinc/32/81/13/1332328113.db2.gz ILLMXYKQELKRPA-GFCCVEGCSA-N -1 0 326.404 2.728 20 30 EFEDRM N#C[C@H](C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc(N)c2ccccc2n1 ZINC001342625702 1332334901 /nfs/dbraw/zinc/33/49/01/1332334901.db2.gz YWGMKIUOWCXXJV-LLVKDONJSA-N -1 0 345.318 2.549 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2cccc(F)c2o1 ZINC001343272159 1332345406 /nfs/dbraw/zinc/34/54/06/1332345406.db2.gz FOHOAZGKHAYBSL-UHFFFAOYSA-N -1 0 344.323 2.562 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1CC ZINC001343473345 1332349176 /nfs/dbraw/zinc/34/91/76/1332349176.db2.gz JIGMYZMYWKHSQA-CQSZACIVSA-N -1 0 330.432 2.799 20 30 EFEDRM COc1ccc2c(c1)onc2[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001343780316 1332379541 /nfs/dbraw/zinc/37/95/41/1332379541.db2.gz IXNYHQNWEINIKC-UHFFFAOYSA-N -1 0 343.364 2.703 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1S(C)(=O)=O ZINC001344016709 1332397448 /nfs/dbraw/zinc/39/74/48/1332397448.db2.gz JHPYKLNDUJEMJH-CYBMUJFWSA-N -1 0 346.383 2.677 20 30 EFEDRM C=C(C)CN(CC)c1nnc(-c2c[n-]n(CC)c2=O)n1CC(C)C ZINC001344124661 1332404042 /nfs/dbraw/zinc/40/40/42/1332404042.db2.gz MAHIRXMIRXCGLB-UHFFFAOYSA-N -1 0 332.452 2.926 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC001344551590 1332462949 /nfs/dbraw/zinc/46/29/49/1332462949.db2.gz FAQZYCARTJDQDH-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001344622930 1332467940 /nfs/dbraw/zinc/46/79/40/1332467940.db2.gz UEZJIFHGRBFRNJ-CQSZACIVSA-N -1 0 346.383 2.893 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC001345874666 1332580620 /nfs/dbraw/zinc/58/06/20/1332580620.db2.gz VCDUMOPZRWKHJR-KGLIPLIRSA-N -1 0 325.368 2.827 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1C ZINC001346229749 1332615403 /nfs/dbraw/zinc/61/54/03/1332615403.db2.gz XZMUJTIGBXUKAU-KRWDZBQOSA-N -1 0 326.396 2.969 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC=C(C)CC1 ZINC001346671466 1332671204 /nfs/dbraw/zinc/67/12/04/1332671204.db2.gz XTPAXFFTQMWCTP-UHFFFAOYSA-N -1 0 328.420 2.600 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNC(=S)NCc1cccnc1 ZINC001347629439 1332761396 /nfs/dbraw/zinc/76/13/96/1332761396.db2.gz QGRMKCQXDMFTDC-UHFFFAOYSA-N -1 0 336.461 2.847 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c(F)cccc1Cl)C(=O)[O-] ZINC001348024133 1332793763 /nfs/dbraw/zinc/79/37/63/1332793763.db2.gz PXAMBBHAHJDEAJ-CYBMUJFWSA-N -1 0 328.771 2.740 20 30 EFEDRM C=CC[C@H](NC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001348480492 1332841419 /nfs/dbraw/zinc/84/14/19/1332841419.db2.gz IFYJLPZWMQOOHH-IQQGHNRFSA-N -1 0 329.274 2.744 20 30 EFEDRM C=C(C)CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001349931601 1333015539 /nfs/dbraw/zinc/01/55/39/1333015539.db2.gz JBYMLSXOXAJREO-UHFFFAOYSA-N -1 0 344.411 2.918 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)CC1 ZINC001350229802 1333051153 /nfs/dbraw/zinc/05/11/53/1333051153.db2.gz DDQAZWKHFPPUGX-UHFFFAOYSA-N -1 0 332.425 2.730 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Br)cc(C)c1C)C(=O)[O-] ZINC001350323198 1333064549 /nfs/dbraw/zinc/06/45/49/1333064549.db2.gz OUFGNLRSVSABRR-LBPRGKRZSA-N -1 0 326.190 2.825 20 30 EFEDRM C=CC1CCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC2CC2)CC1 ZINC001350461661 1333085717 /nfs/dbraw/zinc/08/57/17/1333085717.db2.gz QFCBPUIKCWOILU-UHFFFAOYSA-N -1 0 342.447 2.680 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC001350744856 1333125180 /nfs/dbraw/zinc/12/51/80/1333125180.db2.gz VOELDQAUJMKGPQ-INIZCTEOSA-N -1 0 332.400 2.837 20 30 EFEDRM C=CC[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001350769610 1333129658 /nfs/dbraw/zinc/12/96/58/1333129658.db2.gz UUCHSJJJXZUHEH-NWDGAFQWSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CC[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001350769611 1333129673 /nfs/dbraw/zinc/12/96/73/1333129673.db2.gz UUCHSJJJXZUHEH-RYUDHWBXSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(C)=C(C)C1 ZINC001351542985 1333246940 /nfs/dbraw/zinc/24/69/40/1333246940.db2.gz AQLOMYSYVZWNCK-UHFFFAOYSA-N -1 0 328.420 2.600 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001351543969 1333247657 /nfs/dbraw/zinc/24/76/57/1333247657.db2.gz KIYNBOYKUKWAMM-GFCCVEGCSA-N -1 0 342.403 2.844 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@](C)(CC)C1 ZINC001351544289 1333247856 /nfs/dbraw/zinc/24/78/56/1333247856.db2.gz NZHPPICIZBCHFU-QGZVFWFLSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001352013327 1333351875 /nfs/dbraw/zinc/35/18/75/1333351875.db2.gz LLORVUPSNCLIFN-SWLSCSKDSA-N -1 0 338.415 2.728 20 30 EFEDRM CC[C@@H](C#N)N(C)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000847169283 1333376013 /nfs/dbraw/zinc/37/60/13/1333376013.db2.gz UUIHWPJTCDIWAV-AWEZNQCLSA-N -1 0 345.424 2.585 20 30 EFEDRM CCOc1ccc2ccccc2c1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001300045168 1333585215 /nfs/dbraw/zinc/58/52/15/1333585215.db2.gz VTCMIOIFXHJVMO-UHFFFAOYSA-N -1 0 331.335 2.957 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)nc(C2CC2)c1 ZINC000847626054 1334025209 /nfs/dbraw/zinc/02/52/09/1334025209.db2.gz ZFEMZOWBGLNVFO-ZDUSSCGKSA-N -1 0 331.803 2.994 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c1F ZINC001200676675 1334324662 /nfs/dbraw/zinc/32/46/62/1334324662.db2.gz VEKDKAXJMIQNRP-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C[C@@H]1C(N=Nc2ncc(Br)cn2)CC[C@@H]1CC(=O)[O-] ZINC000848419886 1334714348 /nfs/dbraw/zinc/71/43/48/1334714348.db2.gz IEQJJISPISDVNI-JGVFFNPUSA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@@H]1C(N=Nc2ncc(Br)cn2)CC[C@H]1CC(=O)[O-] ZINC000848419888 1334714658 /nfs/dbraw/zinc/71/46/58/1334714658.db2.gz IEQJJISPISDVNI-YUMQZZPRSA-N -1 0 327.182 2.528 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ncc1C#N ZINC000848700418 1334847924 /nfs/dbraw/zinc/84/79/24/1334847924.db2.gz RFANKUJLQZXTFE-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@H](C)C1 ZINC001355889080 1334899010 /nfs/dbraw/zinc/89/90/10/1334899010.db2.gz WTJJNYXNBCCGJP-ZDUSSCGKSA-N -1 0 330.436 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001356276135 1335008231 /nfs/dbraw/zinc/00/82/31/1335008231.db2.gz QMZRCXPBWUGPFG-BETUJISGSA-N -1 0 338.415 2.586 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)nnn1-c1ccc(C)cc1 ZINC001357598667 1335319688 /nfs/dbraw/zinc/31/96/88/1335319688.db2.gz KDSHHJKWJFRIMM-AWEZNQCLSA-N -1 0 335.342 2.908 20 30 EFEDRM C=CCCn1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)nn1 ZINC000849244211 1335575905 /nfs/dbraw/zinc/57/59/05/1335575905.db2.gz VVFSQBMAANLHNX-FLIBITNWSA-N -1 0 327.340 2.666 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cnc(Cl)cc1C#N)C1CCCC1 ZINC000849338349 1335594221 /nfs/dbraw/zinc/59/42/21/1335594221.db2.gz ZEFLAOHHOCKYLA-CYBMUJFWSA-N -1 0 343.836 2.554 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3[O-])CC2)c(F)c1 ZINC001361338872 1336004602 /nfs/dbraw/zinc/00/46/02/1336004602.db2.gz DLAFOXWCQUJZNS-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCOc3cccc(F)c32)cc1C#N ZINC001361356725 1336021774 /nfs/dbraw/zinc/02/17/74/1336021774.db2.gz LFCOIRNPLOJEEC-UHFFFAOYSA-N -1 0 345.355 2.559 20 30 EFEDRM C[C@@H](NC(=O)c1ncc(Br)cc1[O-])c1ccc(C#N)cc1 ZINC001361637212 1336236420 /nfs/dbraw/zinc/23/64/20/1336236420.db2.gz NCFNYKLZCIOTAS-SECBINFHSA-N -1 0 346.184 2.912 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c([O-])c3)CC2)cc1 ZINC001362718346 1336715522 /nfs/dbraw/zinc/71/55/22/1336715522.db2.gz YGQYGGPRVKYTDA-UHFFFAOYSA-N -1 0 341.798 2.880 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001363516998 1336913472 /nfs/dbraw/zinc/91/34/72/1336913472.db2.gz YFFYUUNAIPQJHS-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)[n-]c1C#N ZINC001363645940 1336971564 /nfs/dbraw/zinc/97/15/64/1336971564.db2.gz SZWYJBBZIVADJK-KBOCCFJNSA-N -1 0 337.305 2.706 20 30 EFEDRM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001414210237 1370093061 /nfs/dbraw/zinc/09/30/61/1370093061.db2.gz QIVCZHYGWASMJL-CMPLNLGQSA-N -1 0 328.384 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc3c2OCC3)cc1C#N ZINC001417566865 1373042173 /nfs/dbraw/zinc/04/21/73/1373042173.db2.gz GMFFKVHWLINDFE-UHFFFAOYSA-N -1 0 327.365 2.568 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)c(F)c1 ZINC001424223884 1382881888 /nfs/dbraw/zinc/88/18/88/1382881888.db2.gz HGRQSBZEMPXMHO-OLZOCXBDSA-N -1 0 340.395 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@]3(CCSC3)C2)cc1C#N ZINC001451371101 1392826420 /nfs/dbraw/zinc/82/64/20/1392826420.db2.gz LEHUMLXXTRLAEK-MRXNPFEDSA-N -1 0 349.481 2.740 20 30 EFEDRM COc1ncc(NC(=O)c2ccc(Br)cc2[O-])cc1C#N ZINC001455606081 1394624873 /nfs/dbraw/zinc/62/48/73/1394624873.db2.gz MGFQNBWFCBAPSO-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)on1 ZINC001465001724 1396639788 /nfs/dbraw/zinc/63/97/88/1396639788.db2.gz CMFMGVKQUQQURV-JTQLQIEISA-N -1 0 345.380 2.965 20 30 EFEDRM Cn1c(=O)[n-]c(N[C@H](c2ccccc2)C2CCCCC2)c(C#N)c1=O ZINC001472657570 1397266795 /nfs/dbraw/zinc/26/67/95/1397266795.db2.gz XIEDWLNPSZMPMZ-MRXNPFEDSA-N -1 0 338.411 2.679 20 30 EFEDRM N#Cc1ccc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1Br ZINC001548516908 1404535440 /nfs/dbraw/zinc/53/54/40/1404535440.db2.gz WEHITZQUVWCZFR-UHFFFAOYSA-N -1 0 348.204 2.528 20 30 EFEDRM C=CCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735416737 1426011835 /nfs/dbraw/zinc/01/18/35/1426011835.db2.gz PUQNVUIFAGFEPJ-UHFFFAOYSA-N -1 0 340.339 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826384037 1427530440 /nfs/dbraw/zinc/53/04/40/1427530440.db2.gz DEOFJPRFPNRJEH-KXFIGUGUSA-N -1 0 337.289 2.913 20 30 EFEDRM Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1F ZINC000822202030 1428248386 /nfs/dbraw/zinc/24/83/86/1428248386.db2.gz ICEYNAOYIRTYOF-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM C=CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819734743 1428253049 /nfs/dbraw/zinc/25/30/49/1428253049.db2.gz SBXGXCZNASDKIK-UHFFFAOYSA-N -1 0 338.314 2.868 20 30 EFEDRM N#Cc1cc(NC(=O)CCCc2ccsc2)ccc1-c1nn[n-]n1 ZINC000826384243 1428450192 /nfs/dbraw/zinc/45/01/92/1428450192.db2.gz MTRYXRJPDKMKIS-UHFFFAOYSA-N -1 0 338.396 2.761 20 30 EFEDRM CC(C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735571349 1428639095 /nfs/dbraw/zinc/63/90/95/1428639095.db2.gz BURIJDYDCDBFRB-UHFFFAOYSA-N -1 0 348.366 2.691 20 30 EFEDRM C#CC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838381 1428683985 /nfs/dbraw/zinc/68/39/85/1428683985.db2.gz OZOKHIFZJXXMPC-HNNXBMFYSA-N -1 0 348.435 2.918 20 30 EFEDRM N#Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825675 1428725114 /nfs/dbraw/zinc/72/51/14/1428725114.db2.gz LBIUPNYNZPRZEJ-UHFFFAOYSA-N -1 0 342.309 2.952 20 30 EFEDRM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823841061 1428729098 /nfs/dbraw/zinc/72/90/98/1428729098.db2.gz IITQZOLCOHPLMW-UHFFFAOYSA-N -1 0 349.341 2.990 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1O ZINC000826190648 1428750307 /nfs/dbraw/zinc/75/03/07/1428750307.db2.gz IHHXUBPCJDPRSB-KXFIGUGUSA-N -1 0 340.314 2.616 20 30 EFEDRM N#CCCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822805742 1428758013 /nfs/dbraw/zinc/75/80/13/1428758013.db2.gz BKXMPHZOZTYBQR-UHFFFAOYSA-N -1 0 339.277 2.736 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552446881 1414455695 /nfs/dbraw/zinc/45/56/95/1414455695.db2.gz NQZLGVPZVCQGQI-CJNGLKHVSA-N -1 0 328.372 2.684 20 30 EFEDRM CCn1cc([C@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552449159 1414456199 /nfs/dbraw/zinc/45/61/99/1414456199.db2.gz YLGXZQQAIUHNLC-CJNGLKHVSA-N -1 0 328.372 2.777 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552453780 1414457620 /nfs/dbraw/zinc/45/76/20/1414457620.db2.gz MLKRGXHQTZYMDG-ZBEGNZNMSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1ccnc1[C@@H]1OCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552761653 1414549947 /nfs/dbraw/zinc/54/99/47/1414549947.db2.gz XWSTVOGHGJWQKV-UKRRQHHQSA-N -1 0 328.372 2.777 20 30 EFEDRM N#Cc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737717142 1428853940 /nfs/dbraw/zinc/85/39/40/1428853940.db2.gz ZUNGWFDNGBVDCC-SOFGYWHQSA-N -1 0 334.314 2.529 20 30 EFEDRM C#CCCCCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823838235 1428866620 /nfs/dbraw/zinc/86/66/20/1428866620.db2.gz MLXQJKJLMKRQIB-UHFFFAOYSA-N -1 0 325.416 2.799 20 30 EFEDRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737415399 1428867758 /nfs/dbraw/zinc/86/77/58/1428867758.db2.gz QMRNIOGUNOYPHT-UHFFFAOYSA-N -1 0 346.394 2.963 20 30 EFEDRM Cc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cnc1Cl ZINC000826266659 1428872910 /nfs/dbraw/zinc/87/29/10/1428872910.db2.gz XBCZTQORKUJXGF-UHFFFAOYSA-N -1 0 349.185 2.718 20 30 EFEDRM C[C@@H](OC(=O)c1cc(C#N)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820506892 1428964706 /nfs/dbraw/zinc/96/47/06/1428964706.db2.gz DDVQTTGJPHEYSW-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826210175 1429031376 /nfs/dbraw/zinc/03/13/76/1429031376.db2.gz IBMPTQOQLHBDJH-HWKANZROSA-N -1 0 328.353 2.539 20 30 EFEDRM COc1ccc(C=CC(=O)c2scnc2C)cc1-c1nn[n-]n1 ZINC000737082523 1429054567 /nfs/dbraw/zinc/05/45/67/1429054567.db2.gz WPTJJZNWXFRELN-HYXAFXHYSA-N -1 0 327.369 2.536 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SCCC2CCCCC2)nc1N ZINC000822818686 1429134266 /nfs/dbraw/zinc/13/42/66/1429134266.db2.gz FLSXWGNSEZEHFP-UHFFFAOYSA-N -1 0 329.433 2.778 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822255290 1429151445 /nfs/dbraw/zinc/15/14/45/1429151445.db2.gz YOJQOQAYUSRQHH-UHFFFAOYSA-N -1 0 343.441 2.557 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)nc1 ZINC000826399714 1429192804 /nfs/dbraw/zinc/19/28/04/1429192804.db2.gz CWGGGJVKZMKCNE-HYXAFXHYSA-N -1 0 329.722 2.950 20 30 EFEDRM Fc1ccccc1-c1n[nH]cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826377654 1429233516 /nfs/dbraw/zinc/23/35/16/1429233516.db2.gz AADNNDDFNYLKIV-UHFFFAOYSA-N -1 0 348.345 2.842 20 30 EFEDRM Fc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822748460 1429292763 /nfs/dbraw/zinc/29/27/63/1429292763.db2.gz ZNRGYTQEJLLXRQ-UHFFFAOYSA-N -1 0 330.754 2.783 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000164250829 1419373699 /nfs/dbraw/zinc/37/36/99/1419373699.db2.gz VHOWLDLZGRDDRC-SNVBAGLBSA-N -1 0 331.141 2.739 20 30 EFEDRM C#CCCCCCC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000823840767 1429384139 /nfs/dbraw/zinc/38/41/39/1429384139.db2.gz FKLJYWYKTXPIDR-CQSZACIVSA-N -1 0 342.399 2.761 20 30 EFEDRM CC[C@H]1C[C@H](CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184738 1429400998 /nfs/dbraw/zinc/40/09/98/1429400998.db2.gz YXAKFQOQANEISM-NEPJUHHUSA-N -1 0 347.423 2.656 20 30 EFEDRM C#Cc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000823861294 1429462552 /nfs/dbraw/zinc/46/25/52/1429462552.db2.gz CYFXGXGFGANPTN-UHFFFAOYSA-N -1 0 344.378 2.659 20 30 EFEDRM N#Cc1csc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826387652 1429506246 /nfs/dbraw/zinc/50/62/46/1429506246.db2.gz IZCAAMLVGHRKIX-UHFFFAOYSA-N -1 0 336.424 2.964 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC001129729565 1429519485 /nfs/dbraw/zinc/51/94/85/1429519485.db2.gz ZKIDPMUVXHVLIR-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C=CCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735416402 1429524913 /nfs/dbraw/zinc/52/49/13/1429524913.db2.gz IRICSWDOKQXTDE-UHFFFAOYSA-N -1 0 331.401 2.594 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC12CCCC2 ZINC000819743133 1423221589 /nfs/dbraw/zinc/22/15/89/1423221589.db2.gz DDUYLVHNXFGLQG-INIZCTEOSA-N -1 0 337.427 2.962 20 30 EFEDRM CC(Cc1ccncc1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820301387 1423399601 /nfs/dbraw/zinc/39/96/01/1423399601.db2.gz XABVSUANJZZFSY-UHFFFAOYSA-N -1 0 340.391 2.578 20 30 EFEDRM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735913452 1423449740 /nfs/dbraw/zinc/44/97/40/1423449740.db2.gz DCYNQOSSZBMVHT-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM C=CCn1c(C)nnc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735443057 1429650000 /nfs/dbraw/zinc/65/00/00/1429650000.db2.gz NRNYFTMIXXHYHK-JTQLQIEISA-N -1 0 327.417 2.806 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000274303107 1423677834 /nfs/dbraw/zinc/67/78/34/1423677834.db2.gz AABQTSJVBAFLLU-AWEZNQCLSA-N -1 0 330.392 2.776 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cnc12 ZINC000826307988 1423716505 /nfs/dbraw/zinc/71/65/05/1423716505.db2.gz DOGPFHHVYFDOHB-SNAWJCMRSA-N -1 0 336.380 2.780 20 30 EFEDRM CCOc1cccc(C=Nc2ccc(F)c(-c3nn[n-]n3)c2)c1O ZINC000736653542 1429679883 /nfs/dbraw/zinc/67/98/83/1429679883.db2.gz BSFNFFHZOYQTQJ-UHFFFAOYSA-N -1 0 327.319 2.861 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1[O-] ZINC000826400871 1424083312 /nfs/dbraw/zinc/08/33/12/1424083312.db2.gz KCSWTWVBQRWMIN-GORDUTHDSA-N -1 0 328.278 2.747 20 30 EFEDRM Cc1ccccc1[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822344843 1424154947 /nfs/dbraw/zinc/15/49/47/1424154947.db2.gz BLUXGNOKWYTNTP-JTQLQIEISA-N -1 0 337.412 2.877 20 30 EFEDRM N#Cc1ccc(CSc2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000135475468 1424182333 /nfs/dbraw/zinc/18/23/33/1424182333.db2.gz GAWWBCBYUGDJSB-UHFFFAOYSA-N -1 0 336.380 2.616 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709798 1429710866 /nfs/dbraw/zinc/71/08/66/1429710866.db2.gz POIPVYOOJFOBTC-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM Cc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822280405 1424360849 /nfs/dbraw/zinc/36/08/49/1424360849.db2.gz MNKKJJCYZDWVBQ-UHFFFAOYSA-N -1 0 348.410 2.842 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)nc21 ZINC000737405446 1429723845 /nfs/dbraw/zinc/72/38/45/1429723845.db2.gz GJHQICGSSCNZFF-CYBMUJFWSA-N -1 0 343.350 2.542 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823899527 1424519578 /nfs/dbraw/zinc/51/95/78/1424519578.db2.gz XPIPAZYWXZCJEC-JTQLQIEISA-N -1 0 336.779 2.545 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(C#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202991 1424545486 /nfs/dbraw/zinc/54/54/86/1424545486.db2.gz QISQZINKWNXCRO-FPLPWBNLSA-N -1 0 344.378 2.691 20 30 EFEDRM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381791 1424836692 /nfs/dbraw/zinc/83/66/92/1424836692.db2.gz ZZQFKUFYGPJZRN-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1cccc2cccnc21 ZINC000822739680 1424902490 /nfs/dbraw/zinc/90/24/90/1424902490.db2.gz BOOJRSOVURHZNN-UHFFFAOYSA-N -1 0 347.357 2.678 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000775538757 1424912227 /nfs/dbraw/zinc/91/22/27/1424912227.db2.gz MPAHUIADMPTMGJ-CABCVRRESA-N -1 0 337.468 2.876 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819729631 1429768499 /nfs/dbraw/zinc/76/84/99/1429768499.db2.gz JTSFYHHISCRGSU-CYBMUJFWSA-N -1 0 349.394 2.750 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822016122 1425023625 /nfs/dbraw/zinc/02/36/25/1425023625.db2.gz VRHCOKFWXCFHAZ-UHFFFAOYSA-N -1 0 332.367 2.618 20 30 EFEDRM C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508848 1425214876 /nfs/dbraw/zinc/21/48/76/1425214876.db2.gz ZBROYVYOYPPDIN-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1 ZINC000737805917 1425302622 /nfs/dbraw/zinc/30/26/22/1425302622.db2.gz JDLHMOUSIPQBFG-SREVYHEPSA-N -1 0 334.314 2.550 20 30 EFEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(C#N)cnc2ccccc21 ZINC000736818864 1425460426 /nfs/dbraw/zinc/46/04/26/1425460426.db2.gz YOVFSIYGFNTWOA-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401279 1425633357 /nfs/dbraw/zinc/63/33/57/1425633357.db2.gz UMIKXLQUSODWOB-ORCRQEGFSA-N -1 0 329.722 2.950 20 30 EFEDRM Cc1c(NCCCOc2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822122597 1426073117 /nfs/dbraw/zinc/07/31/17/1426073117.db2.gz PDOMEDXPPPHZQX-UHFFFAOYSA-N -1 0 334.383 2.928 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000735416464 1426079606 /nfs/dbraw/zinc/07/96/06/1426079606.db2.gz LABIRNKRUXLGCL-GFCCVEGCSA-N -1 0 344.419 2.608 20 30 EFEDRM COCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826165525 1426147298 /nfs/dbraw/zinc/14/72/98/1426147298.db2.gz YUUAFXGZGVXXHC-SNAWJCMRSA-N -1 0 345.359 2.505 20 30 EFEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc([C@H]2CCCO2)s1 ZINC000823867922 1426326325 /nfs/dbraw/zinc/32/63/25/1426326325.db2.gz JKUVOAQTRKUWOL-CYBMUJFWSA-N -1 0 341.400 2.621 20 30 EFEDRM Cc1cc(NC[C@H](C)C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209641 1426466931 /nfs/dbraw/zinc/46/69/31/1426466931.db2.gz QNWXSFFACJOTNF-SNVBAGLBSA-N -1 0 332.371 2.548 20 30 EFEDRM C=CCCOCCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000823899352 1426535554 /nfs/dbraw/zinc/53/55/54/1426535554.db2.gz TVZMWMURAZZWIN-UHFFFAOYSA-N -1 0 329.404 2.593 20 30 EFEDRM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826401086 1426552673 /nfs/dbraw/zinc/55/26/73/1426552673.db2.gz PETDZMVEWXDPCB-PLNGDYQASA-N -1 0 326.337 2.553 20 30 EFEDRM COc1cc(C)c(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1C ZINC000826177760 1426573746 /nfs/dbraw/zinc/57/37/46/1426573746.db2.gz UNKHBBKMQACYLS-UHFFFAOYSA-N -1 0 341.375 2.625 20 30 EFEDRM C=CC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823888446 1426576469 /nfs/dbraw/zinc/57/64/69/1426576469.db2.gz MNFRTSATKOORTC-ZDUSSCGKSA-N -1 0 338.415 2.630 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000826251862 1426620072 /nfs/dbraw/zinc/62/00/72/1426620072.db2.gz DMJJQHCRPFEHII-OAHLLOKOSA-N -1 0 347.378 2.714 20 30 EFEDRM COc1ccc(COc2ccc(C#N)cc2Cl)cc1-c1nn[n-]n1 ZINC000826207282 1426684626 /nfs/dbraw/zinc/68/46/26/1426684626.db2.gz HZQUVSUICKJJSR-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM CC(C)n1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000824371358 1426845237 /nfs/dbraw/zinc/84/52/37/1426845237.db2.gz BOWVCUNCJRQEOG-GQCTYLIASA-N -1 0 326.335 2.679 20 30 EFEDRM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1O ZINC000826178908 1426882159 /nfs/dbraw/zinc/88/21/59/1426882159.db2.gz QJQBMEUCZACXMP-UHFFFAOYSA-N -1 0 344.762 2.680 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512468 1426938854 /nfs/dbraw/zinc/93/88/54/1426938854.db2.gz LDZIUBVLNKAVIH-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM CC(=NNCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953914 1427143165 /nfs/dbraw/zinc/14/31/65/1427143165.db2.gz VKDJHGKBPRNYNL-UHFFFAOYSA-N -1 0 342.428 2.711 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000935416099 1427358894 /nfs/dbraw/zinc/35/88/94/1427358894.db2.gz IEZKWHBVQKAMMG-LKFCYVNXSA-N -1 0 337.786 2.800 20 30 EFEDRM C=CCC(CC=C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823888701 1427402812 /nfs/dbraw/zinc/40/28/12/1427402812.db2.gz UJDKJQSPABUOPY-UHFFFAOYSA-N -1 0 328.372 2.687 20 30 EFEDRM CCCCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000821056683 1427420552 /nfs/dbraw/zinc/42/05/52/1427420552.db2.gz VZAPXSDCVDYYKI-UHFFFAOYSA-N -1 0 347.419 2.888 20 30 EFEDRM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([O-])c(F)c1 ZINC000822922477 1427463806 /nfs/dbraw/zinc/46/38/06/1427463806.db2.gz GMBQPQNWJAYMCZ-HYXAFXHYSA-N -1 0 328.278 2.747 20 30 EFEDRM CCC(CC)CN(CCC#N)CCOc1ccccc1-c1nn[n-]n1 ZINC000820893952 1427554094 /nfs/dbraw/zinc/55/40/94/1427554094.db2.gz YPAFGPUBVMLZEQ-UHFFFAOYSA-N -1 0 342.447 2.897 20 30 EFEDRM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000820456331 1427722419 /nfs/dbraw/zinc/72/24/19/1427722419.db2.gz SRBNPVSATUXYGF-SECBINFHSA-N -1 0 325.763 2.960 20 30 EFEDRM C[C@@H](NC(=O)Nc1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117494 1427749104 /nfs/dbraw/zinc/74/91/04/1427749104.db2.gz PREAJIYDLUYETK-SECBINFHSA-N -1 0 339.384 2.683 20 30 EFEDRM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCOc3ccccc32)n1 ZINC000826350106 1427802621 /nfs/dbraw/zinc/80/26/21/1427802621.db2.gz IQPWHHPTFGDQJK-UHFFFAOYSA-N -1 0 341.762 2.514 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c([O-])c1 ZINC000821769753 1427879321 /nfs/dbraw/zinc/87/93/21/1427879321.db2.gz KMTIQASMENDUON-ZZXKWVIFSA-N -1 0 328.353 2.539 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745903 1427902984 /nfs/dbraw/zinc/90/29/84/1427902984.db2.gz UHTPSHWHYCKXHI-UHFFFAOYSA-N -1 0 333.395 2.624 20 30 EFEDRM Cc1ccnc(N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826309455 1427936438 /nfs/dbraw/zinc/93/64/38/1427936438.db2.gz PPEVFTLSCVPBMY-UHFFFAOYSA-N -1 0 331.383 2.611 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1C ZINC000735450786 1427946353 /nfs/dbraw/zinc/94/63/53/1427946353.db2.gz DGPZGXSCSFDBPD-UHFFFAOYSA-N -1 0 337.343 2.919 20 30 EFEDRM Cc1cc(C)cc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000826264290 1427947137 /nfs/dbraw/zinc/94/71/37/1427947137.db2.gz IYIJPIWBBFNIFT-UHFFFAOYSA-N -1 0 346.394 2.927 20 30 EFEDRM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821877880 1428061429 /nfs/dbraw/zinc/06/14/29/1428061429.db2.gz YFOZPTUJCDCMJQ-CLFYSBASSA-N -1 0 340.364 2.596 20 30 EFEDRM CCOc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825654366 1429789692 /nfs/dbraw/zinc/78/96/92/1429789692.db2.gz YTAHQRFXDXUNOH-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380214 1429792504 /nfs/dbraw/zinc/79/25/04/1429792504.db2.gz FPIWKAOCSTXMCI-ZDUSSCGKSA-N -1 0 348.362 2.797 20 30 EFEDRM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819730435 1429819080 /nfs/dbraw/zinc/81/90/80/1429819080.db2.gz ZXZVBGDISXRUIX-SSDOTTSWSA-N -1 0 326.282 2.582 20 30 EFEDRM C=CCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735408602 1429821963 /nfs/dbraw/zinc/82/19/63/1429821963.db2.gz PLUYRCGBRBADIP-UHFFFAOYSA-N -1 0 336.355 2.959 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccccc3F)C2)o1 ZINC000822422825 1429871944 /nfs/dbraw/zinc/87/19/44/1429871944.db2.gz DFDWUGDHJUQJOF-UHFFFAOYSA-N -1 0 327.323 2.648 20 30 EFEDRM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1coc(-c2ccccc2)n1 ZINC000823861450 1429894488 /nfs/dbraw/zinc/89/44/88/1429894488.db2.gz JDACMYHSKQISOT-UHFFFAOYSA-N -1 0 345.366 2.645 20 30 EFEDRM CC(C)Oc1ccc(NCc2ccnc(C#N)c2)cc1-c1nn[n-]n1 ZINC000824329098 1429926100 /nfs/dbraw/zinc/92/61/00/1429926100.db2.gz ILGIMJVLAUKJKR-UHFFFAOYSA-N -1 0 335.371 2.533 20 30 EFEDRM N#Cc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822837326 1429947747 /nfs/dbraw/zinc/94/77/47/1429947747.db2.gz JZTZGQUTGHDNDS-OQLLNIDSSA-N -1 0 327.347 2.951 20 30 EFEDRM C(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000819718314 1429956084 /nfs/dbraw/zinc/95/60/84/1429956084.db2.gz FMWXLPHMPBYLFR-UHFFFAOYSA-N -1 0 335.396 2.600 20 30 EFEDRM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000735447500 1430007885 /nfs/dbraw/zinc/00/78/85/1430007885.db2.gz KRCVWOPWCNKCDC-DHZHZOJOSA-N -1 0 348.341 2.919 20 30 EFEDRM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826365379 1430045084 /nfs/dbraw/zinc/04/50/84/1430045084.db2.gz LPDSDPWAMMYNQW-XVNBXDOJSA-N -1 0 348.341 2.789 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826281262 1430108268 /nfs/dbraw/zinc/10/82/68/1430108268.db2.gz KZPDEILPMKDQRF-HJWRWDBZSA-N -1 0 335.323 2.979 20 30 EFEDRM C#CCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375137 1430225428 /nfs/dbraw/zinc/22/54/28/1430225428.db2.gz UOUGKJOGIIMFNL-UHFFFAOYSA-N -1 0 333.351 2.790 20 30 EFEDRM N#Cc1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)c(F)c1 ZINC000822833806 1441467640 /nfs/dbraw/zinc/46/76/40/1441467640.db2.gz VUPRAYBSLNFMDE-UHFFFAOYSA-N -1 0 349.354 2.972 20 30 EFEDRM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822928305 1441478380 /nfs/dbraw/zinc/47/83/80/1441478380.db2.gz GPMSRXNUTVUMMZ-YHYXMXQVSA-N -1 0 342.362 2.949 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000819743912 1441494731 /nfs/dbraw/zinc/49/47/31/1441494731.db2.gz SOENEAQNACISKC-FVQHAEBGSA-N -1 0 337.427 2.818 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1sccc1-c1nn[n-]n1 ZINC000736337186 1441547616 /nfs/dbraw/zinc/54/76/16/1441547616.db2.gz IKNQAJCCOKYAKS-UHFFFAOYSA-N -1 0 332.433 2.720 20 30 EFEDRM CCNc1ccc(C#N)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821308521 1441640606 /nfs/dbraw/zinc/64/06/06/1441640606.db2.gz CNXHMLMYQOKTJZ-UHFFFAOYSA-N -1 0 349.398 2.661 20 30 EFEDRM Cc1ccc(O)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823953821 1441654275 /nfs/dbraw/zinc/65/42/75/1441654275.db2.gz RLQCQVUTFPPUHT-UHFFFAOYSA-N -1 0 343.778 2.765 20 30 EFEDRM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC000824784706 1441690772 /nfs/dbraw/zinc/69/07/72/1441690772.db2.gz ZOKSCVPQMGLAGC-TVQRCGJNSA-N -1 0 347.810 2.518 20 30 EFEDRM C[C@H](C#N)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819857481 1441697495 /nfs/dbraw/zinc/69/74/95/1441697495.db2.gz RZWUWARLEPGEDR-GFCCVEGCSA-N -1 0 349.350 2.975 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380002 1441728734 /nfs/dbraw/zinc/72/87/34/1441728734.db2.gz JQJAWOVCOHKKNO-UHFFFAOYSA-N -1 0 348.341 2.813 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCC2 ZINC000825576423 1441808017 /nfs/dbraw/zinc/80/80/17/1441808017.db2.gz GIJNWMBGBYZUEC-LLVKDONJSA-N -1 0 347.810 2.662 20 30 EFEDRM CC[C@@H]1CCC[C@H](C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC000825195342 1441810795 /nfs/dbraw/zinc/81/07/95/1441810795.db2.gz WGWDTEXKVVWRFN-KGLIPLIRSA-N -1 0 328.420 2.696 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1O ZINC000826178932 1441848930 /nfs/dbraw/zinc/84/89/30/1441848930.db2.gz RGFFZVACQCMZCC-HYXAFXHYSA-N -1 0 328.353 2.539 20 30 EFEDRM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000737419081 1441884978 /nfs/dbraw/zinc/88/49/78/1441884978.db2.gz CEMDETQFBCVNQD-UHFFFAOYSA-N -1 0 344.378 2.717 20 30 EFEDRM CCC(CC)CN(CCC#N)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825108802 1441929098 /nfs/dbraw/zinc/92/90/98/1441929098.db2.gz ZUCWCFZLMGFZLW-UHFFFAOYSA-N -1 0 343.391 2.931 20 30 EFEDRM CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000820192408 1442008592 /nfs/dbraw/zinc/00/85/92/1442008592.db2.gz MPQVBUSDCWFJRH-UHFFFAOYSA-N -1 0 333.355 2.509 20 30 EFEDRM C=C(Br)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823873413 1442044059 /nfs/dbraw/zinc/04/40/59/1442044059.db2.gz LWQJXDYRLHGCCQ-UHFFFAOYSA-N -1 0 331.177 2.735 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(C(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737708367 1442137564 /nfs/dbraw/zinc/13/75/64/1442137564.db2.gz FHDXXJOCVSLPGT-UHFFFAOYSA-N -1 0 340.293 2.928 20 30 EFEDRM CN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736793439 1442173553 /nfs/dbraw/zinc/17/35/53/1442173553.db2.gz WXHFPYBXIVWYFG-UHFFFAOYSA-N -1 0 348.366 2.645 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCCCc2c(F)cccc2Cl)o1 ZINC000826322849 1442329945 /nfs/dbraw/zinc/32/99/45/1442329945.db2.gz DMKSWSVUNUNAEB-UHFFFAOYSA-N -1 0 349.757 2.986 20 30 EFEDRM CCc1nnc(Oc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c1CC ZINC000821548680 1442399315 /nfs/dbraw/zinc/39/93/15/1442399315.db2.gz TXYQVWYJJPNBQQ-UHFFFAOYSA-N -1 0 339.334 2.585 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1-c1nn[n-]n1 ZINC000826384406 1442442288 /nfs/dbraw/zinc/44/22/88/1442442288.db2.gz UHRRGUBIWXVACF-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM N#C[C@@H](C(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2o1 ZINC000822801784 1443144875 /nfs/dbraw/zinc/14/48/75/1443144875.db2.gz ONFMSTRRUCAJJH-VIFPVBQESA-N -1 0 336.336 2.559 20 30 EFEDRM O=C(OCC#Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823396238 1443176921 /nfs/dbraw/zinc/17/69/21/1443176921.db2.gz GKCZCBXFOWKVFO-UHFFFAOYSA-N -1 0 338.754 2.729 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819701443 1443177541 /nfs/dbraw/zinc/17/75/41/1443177541.db2.gz HOGBUOFUORWMFH-UHFFFAOYSA-N -1 0 339.349 2.780 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)c(N2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000826273988 1443180430 /nfs/dbraw/zinc/18/04/30/1443180430.db2.gz CIDNMMWQTCQTKQ-UHFFFAOYSA-N -1 0 343.394 2.736 20 30 EFEDRM N#Cc1ccc(Oc2ccc(Br)cc2-c2nnn[n-]2)nc1 ZINC000822833479 1443235014 /nfs/dbraw/zinc/23/50/14/1443235014.db2.gz QJLLWVSXEBUXMQ-UHFFFAOYSA-N -1 0 343.144 2.688 20 30 EFEDRM COc1ccc2nc(NN=Cc3ccc(-c4nn[n-]n4)o3)c(C)cc2c1 ZINC000826213714 1443274881 /nfs/dbraw/zinc/27/48/81/1443274881.db2.gz JJGCWHJDIVZRLW-UHFFFAOYSA-N -1 0 349.354 2.771 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826324502 1443323328 /nfs/dbraw/zinc/32/33/28/1443323328.db2.gz UNXXKTUZIXZBTE-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cc(F)ccc2C#N)n1 ZINC000822428089 1443345481 /nfs/dbraw/zinc/34/54/81/1443345481.db2.gz ZBHIDEFFRQLKCU-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM N#Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1-c1nn[n-]n1 ZINC000737717502 1443384622 /nfs/dbraw/zinc/38/46/22/1443384622.db2.gz DSXMUROYNTZZGI-UHFFFAOYSA-N -1 0 348.341 2.548 20 30 EFEDRM Cc1sc2ncnc(N=NCc3ccc(-c4nn[n-]n4)o3)c2c1C ZINC000822564228 1443468351 /nfs/dbraw/zinc/46/83/51/1443468351.db2.gz WQGOIDKVAAOBDS-UHFFFAOYSA-N -1 0 340.372 2.527 20 30 EFEDRM COc1cccc(O)c1C=Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821872393 1443524278 /nfs/dbraw/zinc/52/42/78/1443524278.db2.gz LITNDSHLWKRNGF-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001136072940 1443654910 /nfs/dbraw/zinc/65/49/10/1443654910.db2.gz LURGFLIDFCNZJH-UHFFFAOYSA-N -1 0 333.351 2.521 20 30 EFEDRM C#CCN(CC)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823845002 1443705798 /nfs/dbraw/zinc/70/57/98/1443705798.db2.gz MQQAOKHHTMYADK-UHFFFAOYSA-N -1 0 331.379 2.629 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822254781 1443720667 /nfs/dbraw/zinc/72/06/67/1443720667.db2.gz REQHZHIUWJJTNJ-UHFFFAOYSA-N -1 0 343.441 2.557 20 30 EFEDRM N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000737716579 1443723352 /nfs/dbraw/zinc/72/33/52/1443723352.db2.gz SEZBRRLVDOCJGT-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400285 1443744644 /nfs/dbraw/zinc/74/46/44/1443744644.db2.gz UXAMNBUZOWAJRJ-UPHRSURJSA-N -1 0 334.307 2.808 20 30 EFEDRM C=CCCCCCN(C)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819740447 1443770199 /nfs/dbraw/zinc/77/01/99/1443770199.db2.gz ZRSWSIJCBPQKTC-INIZCTEOSA-N -1 0 343.431 2.759 20 30 EFEDRM COc1ccc(O)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826210386 1443848899 /nfs/dbraw/zinc/84/88/99/1443848899.db2.gz PIGQKMNCLYJIPB-ARJAWSKDSA-N -1 0 328.353 2.539 20 30 EFEDRM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000825829598 1443885255 /nfs/dbraw/zinc/88/52/55/1443885255.db2.gz HCVPJDWPMAJLOK-UHFFFAOYSA-N -1 0 338.758 2.668 20 30 EFEDRM FC(F)Oc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822731214 1443925545 /nfs/dbraw/zinc/92/55/45/1443925545.db2.gz AJGUFERZDNMEHL-UHFFFAOYSA-N -1 0 344.325 2.592 20 30 EFEDRM O=C1c2cccc(F)c2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475762 1443940194 /nfs/dbraw/zinc/94/01/94/1443940194.db2.gz PJUBTBVYFRSDTM-UXBLZVDNSA-N -1 0 340.289 2.804 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@@H]1CCC ZINC000819743934 1443960398 /nfs/dbraw/zinc/96/03/98/1443960398.db2.gz TWCGIRHXPYXOEF-GOEBONIOSA-N -1 0 340.431 2.753 20 30 EFEDRM N#CCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826381485 1443982605 /nfs/dbraw/zinc/98/26/05/1443982605.db2.gz NPALKYFODSDUAV-UHFFFAOYSA-N -1 0 348.366 2.693 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000875165639 1446142351 /nfs/dbraw/zinc/14/23/51/1446142351.db2.gz SAEAJRPXKLRFQJ-UHFFFAOYSA-N -1 0 336.380 2.735 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822015480 1446214100 /nfs/dbraw/zinc/21/41/00/1446214100.db2.gz KKTADFGYYBRYKD-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM Cc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1O ZINC000823958265 1446406582 /nfs/dbraw/zinc/40/65/82/1446406582.db2.gz HATKTLVOPNCCRF-UHFFFAOYSA-N -1 0 343.778 2.765 20 30 EFEDRM C=CCN(Cc1ccc(COC)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914665 1446428705 /nfs/dbraw/zinc/42/87/05/1446428705.db2.gz LIGPXYDTXCCVHO-UHFFFAOYSA-N -1 0 339.399 2.794 20 30 EFEDRM Brc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819687978 1446445523 /nfs/dbraw/zinc/44/55/23/1446445523.db2.gz ABORHPDNKLYYGX-UHFFFAOYSA-N -1 0 333.149 2.668 20 30 EFEDRM C#Cc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391618 1446461328 /nfs/dbraw/zinc/46/13/28/1446461328.db2.gz VEORPJHGCJFPBU-UHFFFAOYSA-N -1 0 335.392 2.579 20 30 EFEDRM COc1ccc(C=C2Cc3c(cccc3F)C2=O)cc1-c1nn[n-]n1 ZINC000737085070 1446486483 /nfs/dbraw/zinc/48/64/83/1446486483.db2.gz XYBOSNFDTVTFAH-XFFZJAGNSA-N -1 0 336.326 2.837 20 30 EFEDRM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820404275 1446498238 /nfs/dbraw/zinc/49/82/38/1446498238.db2.gz RLUXFUTZKMDHDR-LLVKDONJSA-N -1 0 349.423 2.786 20 30 EFEDRM C[C@H](C#N)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819856056 1446504649 /nfs/dbraw/zinc/50/46/49/1446504649.db2.gz HJQTXXDVSZJRDN-GFCCVEGCSA-N -1 0 348.366 2.927 20 30 EFEDRM N#Cc1cccc(C2(NCc3cc(-c4nn[n-]n4)ccc3F)CC2)c1 ZINC000826386889 1446628305 /nfs/dbraw/zinc/62/83/05/1446628305.db2.gz XCVSIZGIAWJGIE-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000825560646 1446635168 /nfs/dbraw/zinc/63/51/68/1446635168.db2.gz URXUTYWSODPJRS-HYXAFXHYSA-N -1 0 344.352 2.594 20 30 EFEDRM C=CCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819758607 1446667357 /nfs/dbraw/zinc/66/73/57/1446667357.db2.gz AZJCTCNWMWCJOD-UHFFFAOYSA-N -1 0 334.383 2.555 20 30 EFEDRM O=C1c2ccc(O)cc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475524 1446700380 /nfs/dbraw/zinc/70/03/80/1446700380.db2.gz IQMFPDLIWNZKNJ-KPKJPENVSA-N -1 0 336.326 2.924 20 30 EFEDRM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822826435 1446817935 /nfs/dbraw/zinc/81/79/35/1446817935.db2.gz YKWWIKCLKLSHOZ-UHFFFAOYSA-N -1 0 347.260 2.796 20 30 EFEDRM C=CCN(Cc1csc(C)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425755 1446867143 /nfs/dbraw/zinc/86/71/43/1446867143.db2.gz FHVNTYOWMSKPPK-UHFFFAOYSA-N -1 0 326.429 2.820 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1[N+](=O)[O-] ZINC000823503747 1446939768 /nfs/dbraw/zinc/93/97/68/1446939768.db2.gz IKYBPEBCKVZDRS-JLHYYAGUSA-N -1 0 347.334 2.987 20 30 EFEDRM Cc1ccc2c(c1)CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737375939 1446945742 /nfs/dbraw/zinc/94/57/42/1446945742.db2.gz GDSSBZROXNJNQX-RIYZIHGNSA-N -1 0 342.362 2.645 20 30 EFEDRM COc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1C#N ZINC000826208162 1446956159 /nfs/dbraw/zinc/95/61/59/1446956159.db2.gz WMJORXRFPJMXMO-UHFFFAOYSA-N -1 0 338.396 2.575 20 30 EFEDRM COc1cc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826177820 1447094453 /nfs/dbraw/zinc/09/44/53/1447094453.db2.gz WYXLRGGZSWMDNH-UHFFFAOYSA-N -1 0 340.362 2.528 20 30 EFEDRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735671126 1447127517 /nfs/dbraw/zinc/12/75/17/1447127517.db2.gz NSWIMGNGUKIZKX-UHFFFAOYSA-N -1 0 346.394 2.946 20 30 EFEDRM Cc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1F ZINC000737329085 1447128724 /nfs/dbraw/zinc/12/87/24/1447128724.db2.gz JQJPDIWYSFAEAZ-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM CCc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825705167 1447140372 /nfs/dbraw/zinc/14/03/72/1447140372.db2.gz XXMYSZVMGMDDSC-UHFFFAOYSA-N -1 0 337.383 2.988 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399971 1447142179 /nfs/dbraw/zinc/14/21/79/1447142179.db2.gz LRYQVYNZHINLDY-POHAHGRESA-N -1 0 340.289 2.804 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824035204 1447164601 /nfs/dbraw/zinc/16/46/01/1447164601.db2.gz UDAQZCHQWFJWAG-NSHDSACASA-N -1 0 338.346 2.909 20 30 EFEDRM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000819722527 1447205323 /nfs/dbraw/zinc/20/53/23/1447205323.db2.gz LRRILVVPVFVLPT-BJMVGYQFSA-N -1 0 349.466 2.706 20 30 EFEDRM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826209998 1447251700 /nfs/dbraw/zinc/25/17/00/1447251700.db2.gz ABRYZBPKWIZPEY-UHFFFAOYSA-N -1 0 326.335 2.851 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825039770 1447255706 /nfs/dbraw/zinc/25/57/06/1447255706.db2.gz VYUCAWLVLUIIMA-LBPRGKRZSA-N -1 0 332.367 2.566 20 30 EFEDRM N#CC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCCCC1 ZINC000826380320 1447310491 /nfs/dbraw/zinc/31/04/91/1447310491.db2.gz VLHOJNNIOJKIJT-UHFFFAOYSA-N -1 0 329.335 2.523 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822241448 1449101014 /nfs/dbraw/zinc/10/10/14/1449101014.db2.gz XBOYDULSMTUHFF-UHFFFAOYSA-N -1 0 338.396 2.797 20 30 EFEDRM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC000826383698 1449146826 /nfs/dbraw/zinc/14/68/26/1449146826.db2.gz MGUMTFVEAWTMHD-KXFIGUGUSA-N -1 0 337.289 2.913 20 30 EFEDRM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826289123 1449208720 /nfs/dbraw/zinc/20/87/20/1449208720.db2.gz LEMGLIABIFKMOG-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM N#Cc1ccc(OCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000822833393 1449215519 /nfs/dbraw/zinc/21/55/19/1449215519.db2.gz PRHIKZNFEKMKAC-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM Cc1nnc(SCc2ccc(F)c(C#N)c2)c(-c2nn[n-]n2)c1C ZINC000826337524 1449234565 /nfs/dbraw/zinc/23/45/65/1449234565.db2.gz RMROIFOERRWTBB-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM C#CCCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823840948 1449236761 /nfs/dbraw/zinc/23/67/61/1449236761.db2.gz GXVGMNYAQMXYMQ-UHFFFAOYSA-N -1 0 327.779 2.531 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821589332 1449247048 /nfs/dbraw/zinc/24/70/48/1449247048.db2.gz JPHPUEISTOZASI-FPLPWBNLSA-N -1 0 325.397 2.890 20 30 EFEDRM N#Cc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000822826043 1449247369 /nfs/dbraw/zinc/24/73/69/1449247369.db2.gz SMLDRZILBMXHRC-UHFFFAOYSA-N -1 0 327.351 2.899 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000826400154 1449380112 /nfs/dbraw/zinc/38/01/12/1449380112.db2.gz QNTUGGWDADDCJE-YVMONPNESA-N -1 0 328.328 2.726 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822801349 1449413867 /nfs/dbraw/zinc/41/38/67/1449413867.db2.gz HFEHQMISKPUULM-JKSUJKDBSA-N -1 0 331.383 2.538 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825879012 1449513056 /nfs/dbraw/zinc/51/30/56/1449513056.db2.gz FTJIWMUHYJVBBS-YVMONPNESA-N -1 0 325.397 2.890 20 30 EFEDRM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ccc(C2CCCCC2)cc1 ZINC000822814137 1449562457 /nfs/dbraw/zinc/56/24/57/1449562457.db2.gz BMJHWOBGYHEIOY-UHFFFAOYSA-N -1 0 348.414 2.613 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822837883 1449638886 /nfs/dbraw/zinc/63/88/86/1449638886.db2.gz WRVOEPLGRHOIKP-VMPITWQZSA-N -1 0 334.314 2.529 20 30 EFEDRM C=CCC[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823893967 1449690673 /nfs/dbraw/zinc/69/06/73/1449690673.db2.gz CQYZGUZEUHTLEO-OAHLLOKOSA-N -1 0 328.372 2.534 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820197122 1449711069 /nfs/dbraw/zinc/71/10/69/1449711069.db2.gz GQCUTJCFBBKBPO-UHFFFAOYSA-N -1 0 333.396 2.724 20 30 EFEDRM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825875831 1449742844 /nfs/dbraw/zinc/74/28/44/1449742844.db2.gz ZAELSIBHLHMMTA-YFHOEESVSA-N -1 0 337.358 2.968 20 30 EFEDRM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000819718714 1449840822 /nfs/dbraw/zinc/84/08/22/1449840822.db2.gz OHUYDYDOYWBWPH-UHFFFAOYSA-N -1 0 330.355 2.703 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000822218166 1449887769 /nfs/dbraw/zinc/88/77/69/1449887769.db2.gz YZAYQDYZLOKLQJ-GFCCVEGCSA-N -1 0 347.382 2.930 20 30 EFEDRM N#Cc1ccc(-c2ccn(Cc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737709763 1450064314 /nfs/dbraw/zinc/06/43/14/1450064314.db2.gz NQXNHLSXSORYNG-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735410101 1450071151 /nfs/dbraw/zinc/07/11/51/1450071151.db2.gz UHIRSYPLYZCMOK-LLVKDONJSA-N -1 0 330.392 2.740 20 30 EFEDRM Cc1nnc(SCC#Cc2ccc(F)cc2)c(-c2nn[n-]n2)c1C ZINC000826336929 1450246036 /nfs/dbraw/zinc/24/60/36/1450246036.db2.gz VDMQMSDKZHXNOO-UHFFFAOYSA-N -1 0 340.387 2.556 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736774708 1450261675 /nfs/dbraw/zinc/26/16/75/1450261675.db2.gz YDQXOOZURMOISG-VQHVLOKHSA-N -1 0 337.358 2.968 20 30 EFEDRM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000735447502 1450430290 /nfs/dbraw/zinc/43/02/90/1450430290.db2.gz KRCVWOPWCNKCDC-FLIBITNWSA-N -1 0 348.341 2.919 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822810774 1450445416 /nfs/dbraw/zinc/44/54/16/1450445416.db2.gz MMTKKYVMHWJOSM-UHFFFAOYSA-N -1 0 347.382 2.628 20 30 EFEDRM CC(=NNc1cc(Cl)nc(C)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958320 1450471015 /nfs/dbraw/zinc/47/10/15/1450471015.db2.gz IXPPSGLDVBRLLL-UHFFFAOYSA-N -1 0 346.757 2.594 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495084 1450482616 /nfs/dbraw/zinc/48/26/16/1450482616.db2.gz QRIVMMWTJPEOGE-JQPIKURYSA-N -1 0 335.452 2.797 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000042301726 713010281 /nfs/dbraw/zinc/01/02/81/713010281.db2.gz QHHFTHBYMYAMLN-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM CC[C@@H](O)CNN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000811652206 713048692 /nfs/dbraw/zinc/04/86/92/713048692.db2.gz DFIICSBCGDQTAR-SECBINFHSA-N -1 0 335.629 2.893 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000187086050 713055258 /nfs/dbraw/zinc/05/52/58/713055258.db2.gz ZOEVXZOGXXBLSJ-UHFFFAOYSA-N -1 0 329.377 2.702 20 30 EFEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3cc4c(cc32)OCCO4)cc1 ZINC000007890586 713068564 /nfs/dbraw/zinc/06/85/64/713068564.db2.gz BMMZAGPUSCRDCB-UHFFFAOYSA-N -1 0 339.307 2.574 20 30 EFEDRM CC(=O)N(c1nc(/C=C\C(=O)c2ccc(O)cc2[O-])cs1)C1CC1 ZINC000254991100 713223848 /nfs/dbraw/zinc/22/38/48/713223848.db2.gz AOPAQCZQWANZAN-UQCOIBPSSA-N -1 0 344.392 2.966 20 30 EFEDRM COc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000255042717 713369885 /nfs/dbraw/zinc/36/98/85/713369885.db2.gz VEEPNXZWVFRGLR-UXBLZVDNSA-N -1 0 342.307 2.622 20 30 EFEDRM COc1ccc(F)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000023578697 713498983 /nfs/dbraw/zinc/49/89/83/713498983.db2.gz IFZAWHXDCCUMFH-GFCCVEGCSA-N -1 0 348.355 2.633 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccccc2CN2CCOCC2)c1 ZINC000255067381 713572869 /nfs/dbraw/zinc/57/28/69/713572869.db2.gz SXCHQUADENBQDX-UHFFFAOYSA-N -1 0 341.367 2.883 20 30 EFEDRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)C1(C)C ZINC000042325166 713922877 /nfs/dbraw/zinc/92/28/77/713922877.db2.gz AZTPMIMSEHAPHR-OLZOCXBDSA-N -1 0 339.461 2.921 20 30 EFEDRM COc1ccc(CNC(=O)C/N=C\c2cc(Cl)ccc2O)cc1 ZINC000255170017 714050036 /nfs/dbraw/zinc/05/00/36/714050036.db2.gz WPCDPIYQGQBRDO-GRSHGNNSSA-N -1 0 332.787 2.790 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892494768 717957948 /nfs/dbraw/zinc/95/79/48/717957948.db2.gz IBUWMKMNJANLTC-GFCCVEGCSA-N -1 0 339.317 2.872 20 30 EFEDRM Cc1ccnc(Oc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2)c1 ZINC000892495795 717962479 /nfs/dbraw/zinc/96/24/79/717962479.db2.gz GDCHPTILUSBJSH-MRXNPFEDSA-N -1 0 335.363 2.783 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892496239 717964209 /nfs/dbraw/zinc/96/42/09/717964209.db2.gz KUEFVBAMBZUSFG-SECBINFHSA-N -1 0 328.702 2.542 20 30 EFEDRM O=S1(=O)CCC(C/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000157175970 714640565 /nfs/dbraw/zinc/64/05/65/714640565.db2.gz FDDREGSVHKHJNR-LZYBPNLTSA-N -1 0 336.240 2.943 20 30 EFEDRM O=C(Cn1nc(C(F)F)cc1C(F)F)[N-]OCCC(F)(F)F ZINC000935501014 717992790 /nfs/dbraw/zinc/99/27/90/717992790.db2.gz AAGICLWTGNIHSK-UHFFFAOYSA-N -1 0 337.195 2.759 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Br ZINC000255330579 714677532 /nfs/dbraw/zinc/67/75/32/714677532.db2.gz ZYYCMMZKGALKKD-IYKSTZQJSA-N -1 0 349.180 2.986 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000255333737 714679164 /nfs/dbraw/zinc/67/91/64/714679164.db2.gz SJFJHHAMMNKROA-KHPPLWFESA-N -1 0 332.425 2.598 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000077942474 714729250 /nfs/dbraw/zinc/72/92/50/714729250.db2.gz AOFPGUOXCWVZHV-UHFFFAOYSA-N -1 0 345.355 2.909 20 30 EFEDRM C[C@@H]1CCc2c(C(=O)[N-]S(=O)(=O)c3cccnc3)csc2C1 ZINC000077945121 714729294 /nfs/dbraw/zinc/72/92/94/714729294.db2.gz RRDUKQHYRCOCIF-SNVBAGLBSA-N -1 0 336.438 2.961 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121446790 714745861 /nfs/dbraw/zinc/74/58/61/714745861.db2.gz OHFJANAHEPKLJE-LBPRGKRZSA-N -1 0 336.457 2.911 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccccc2F)cs1 ZINC000066003741 718023469 /nfs/dbraw/zinc/02/34/69/718023469.db2.gz RZHRYMGNVPYMSI-UHFFFAOYSA-N -1 0 328.390 2.733 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1occc1Br ZINC000176087521 715048667 /nfs/dbraw/zinc/04/86/67/715048667.db2.gz IISXEZWPHGAGHM-VIFPVBQESA-N -1 0 327.178 2.671 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1cccc2ccccc21 ZINC000178472389 715200778 /nfs/dbraw/zinc/20/07/78/715200778.db2.gz KZXDOWAMMUACRA-OAHLLOKOSA-N -1 0 333.347 2.544 20 30 EFEDRM O=C(/C=C\c1cccc2c1OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255429589 715204661 /nfs/dbraw/zinc/20/46/61/715204661.db2.gz FKWTTYXIZWFETH-XQRVVYSFSA-N -1 0 327.292 2.968 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(OC)c1)c1ccccc1 ZINC000121272721 715213242 /nfs/dbraw/zinc/21/32/42/715213242.db2.gz NDUGWQBDOSKCSQ-CQSZACIVSA-N -1 0 345.420 2.860 20 30 EFEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000121768220 715285758 /nfs/dbraw/zinc/28/57/58/715285758.db2.gz GXSOQNRYDSWLHI-LBPRGKRZSA-N -1 0 329.331 2.636 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000121768912 715292344 /nfs/dbraw/zinc/29/23/44/715292344.db2.gz XAZKBRQUVIVUDT-OAHLLOKOSA-N -1 0 329.356 2.675 20 30 EFEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000124556002 715437796 /nfs/dbraw/zinc/43/77/96/715437796.db2.gz RFKUDQLLHJYLOJ-ZDUSSCGKSA-N -1 0 343.383 2.837 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)N3CCCC3)cs2)o1 ZINC000124897827 715520146 /nfs/dbraw/zinc/52/01/46/715520146.db2.gz LNUQTQZYIYZMDB-NSHDSACASA-N -1 0 329.381 2.656 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000124899835 715540506 /nfs/dbraw/zinc/54/05/06/715540506.db2.gz VJPKLJFVZYSOEW-CQSZACIVSA-N -1 0 339.420 2.679 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000124961000 715680513 /nfs/dbraw/zinc/68/05/13/715680513.db2.gz MMIUTQOHBKWDET-GOSISDBHSA-N -1 0 336.391 2.829 20 30 EFEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCCC1 ZINC000176718446 715683201 /nfs/dbraw/zinc/68/32/01/715683201.db2.gz ZMODVIIYVTZRFD-UHFFFAOYSA-N -1 0 334.441 2.970 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000051897227 715803061 /nfs/dbraw/zinc/80/30/61/715803061.db2.gz FYEKRNIJEJUMAF-UHFFFAOYSA-N -1 0 328.390 2.847 20 30 EFEDRM CCCc1sc(C([O-])=C(C#N)C(=O)NCCCOC)cc1CC ZINC000125011260 715805235 /nfs/dbraw/zinc/80/52/35/715805235.db2.gz KCWPFUWJMUEMFW-CYBMUJFWSA-N -1 0 336.457 2.738 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1C ZINC000121949893 715829229 /nfs/dbraw/zinc/82/92/29/715829229.db2.gz AICVMLNHLGJHJO-INIZCTEOSA-N -1 0 338.411 2.631 20 30 EFEDRM C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000909370094 715951511 /nfs/dbraw/zinc/95/15/11/715951511.db2.gz ZPKHADNKQTVFKO-HNNXBMFYSA-N -1 0 333.384 2.529 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2C#N)cc1 ZINC000048582280 722664282 /nfs/dbraw/zinc/66/42/82/722664282.db2.gz XJAHJVDNTKNANV-IZZDOVSWSA-N -1 0 342.376 2.925 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000065642738 716428915 /nfs/dbraw/zinc/42/89/15/716428915.db2.gz NEYCYWNVXRXDAV-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1csc(-c2cccs2)n1 ZINC000052772146 716584630 /nfs/dbraw/zinc/58/46/30/716584630.db2.gz CCYGGIFGGCEAOC-UHFFFAOYSA-N -1 0 343.455 2.517 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000052771768 716584755 /nfs/dbraw/zinc/58/47/55/716584755.db2.gz VMEDAXVSXVJLON-VHSXEESVSA-N -1 0 328.356 2.652 20 30 EFEDRM O=C(CCSc1ccccc1F)[N-]S(=O)(=O)N1CCCC1 ZINC000052792901 716605953 /nfs/dbraw/zinc/60/59/53/716605953.db2.gz OWHIHEHRSMRCSE-UHFFFAOYSA-N -1 0 332.422 2.605 20 30 EFEDRM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000052794119 716609924 /nfs/dbraw/zinc/60/99/24/716609924.db2.gz RDCJCBQPTNEHJA-UHFFFAOYSA-N -1 0 340.445 2.841 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000176818498 716695912 /nfs/dbraw/zinc/69/59/12/716695912.db2.gz NRVHMHSUHXYOLA-AWEZNQCLSA-N -1 0 335.363 2.794 20 30 EFEDRM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cn2)n1 ZINC000176818764 716696138 /nfs/dbraw/zinc/69/61/38/716696138.db2.gz YUGKOLBWYRLLEL-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000176818508 716696279 /nfs/dbraw/zinc/69/62/79/716696279.db2.gz NRVHMHSUHXYOLA-CQSZACIVSA-N -1 0 335.363 2.794 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000125583294 716699053 /nfs/dbraw/zinc/69/90/53/716699053.db2.gz UHSULGVOMCDTFU-ZDUSSCGKSA-N -1 0 347.371 2.622 20 30 EFEDRM CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1ccc(C)cc1 ZINC000176827926 716716766 /nfs/dbraw/zinc/71/67/66/716716766.db2.gz TYIZQGRGPRDVSZ-INIZCTEOSA-N -1 0 337.379 2.778 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCNC(=O)c2ccc(F)cc2)c1 ZINC000176833557 716752960 /nfs/dbraw/zinc/75/29/60/716752960.db2.gz QESPNBPCQAAYLT-UHFFFAOYSA-N -1 0 341.342 2.552 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136412286 716762424 /nfs/dbraw/zinc/76/24/24/716762424.db2.gz QRPFJNMCTKCYQZ-GFCCVEGCSA-N -1 0 342.424 2.834 20 30 EFEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000065484596 716912144 /nfs/dbraw/zinc/91/21/44/716912144.db2.gz UHAPNNZVGCHEBK-NSHDSACASA-N -1 0 345.417 2.554 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2nccs2)cc1 ZINC000065763456 717346801 /nfs/dbraw/zinc/34/68/01/717346801.db2.gz WBOOATROTSLBSW-UHFFFAOYSA-N -1 0 340.426 2.820 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2c(cncc2Cl)s1 ZINC000892457860 717618374 /nfs/dbraw/zinc/61/83/74/717618374.db2.gz PXSYXUJDVQFAOW-JTQLQIEISA-N -1 0 333.800 2.895 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179737531 717860246 /nfs/dbraw/zinc/86/02/46/717860246.db2.gz FBFCXITWQNKDQN-SNVBAGLBSA-N -1 0 343.770 2.674 20 30 EFEDRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccn1 ZINC000179740143 717861208 /nfs/dbraw/zinc/86/12/08/717861208.db2.gz LQADKYDRMNTJKO-UHFFFAOYSA-N -1 0 333.351 2.659 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000177598224 718119633 /nfs/dbraw/zinc/11/96/33/718119633.db2.gz GEQHKYVHBOQJTK-OAHLLOKOSA-N -1 0 343.383 2.929 20 30 EFEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000066503968 718237701 /nfs/dbraw/zinc/23/77/01/718237701.db2.gz QVBJBMBSWDRIEI-CYBMUJFWSA-N -1 0 344.389 2.672 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000149682056 718348614 /nfs/dbraw/zinc/34/86/14/718348614.db2.gz GSJNYBIBHNRVON-CYBMUJFWSA-N -1 0 325.817 2.805 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)CC1 ZINC000892651771 718376726 /nfs/dbraw/zinc/37/67/26/718376726.db2.gz HGWFILDGRDZYOY-UHFFFAOYSA-N -1 0 348.399 2.925 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000783127528 718380386 /nfs/dbraw/zinc/38/03/86/718380386.db2.gz UWUAMZVVKMFJEO-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)CC1 ZINC000892671399 718428320 /nfs/dbraw/zinc/42/83/20/718428320.db2.gz OWRFUAKEFPDTOZ-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000122235933 718696805 /nfs/dbraw/zinc/69/68/05/718696805.db2.gz DEIVLRILFRBBJY-AWEZNQCLSA-N -1 0 342.362 2.644 20 30 EFEDRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCCCCC#N ZINC000728850641 724560573 /nfs/dbraw/zinc/56/05/73/724560573.db2.gz YSXSSUUNSLBURF-UHFFFAOYSA-N -1 0 345.424 2.635 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CC1 ZINC000892850095 719234216 /nfs/dbraw/zinc/23/42/16/719234216.db2.gz JVMPEALFLRAQRE-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000892867845 719246262 /nfs/dbraw/zinc/24/62/62/719246262.db2.gz GZTVBBQXVTYJNV-UHFFFAOYSA-N -1 0 336.335 2.508 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCC(=O)c2ccccc2)CC1 ZINC000893034798 719502010 /nfs/dbraw/zinc/50/20/10/719502010.db2.gz SZRIDFUNWJHTCR-UHFFFAOYSA-N -1 0 335.425 2.594 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000893063408 719556419 /nfs/dbraw/zinc/55/64/19/719556419.db2.gz VOXNEDIJSVXIJF-UHFFFAOYSA-N -1 0 337.228 2.796 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000261601351 719714504 /nfs/dbraw/zinc/71/45/04/719714504.db2.gz BHEPOUWPHUXRBH-HIFRSBDPSA-N -1 0 330.384 2.571 20 30 EFEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122932256 720134705 /nfs/dbraw/zinc/13/47/05/720134705.db2.gz NLWGCXDOBWIMJX-NSHDSACASA-N -1 0 330.413 2.589 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(F)c1 ZINC000092469381 720618988 /nfs/dbraw/zinc/61/89/88/720618988.db2.gz JWEAZQPHDMUECE-UHFFFAOYSA-N -1 0 331.141 2.693 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC)c(Br)c1 ZINC000092469420 720618998 /nfs/dbraw/zinc/61/89/98/720618998.db2.gz KLFMBRCXTRDCGP-UHFFFAOYSA-N -1 0 343.177 2.562 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)c(F)c2)C(=O)O1 ZINC000162539892 720654192 /nfs/dbraw/zinc/65/41/92/720654192.db2.gz UPZULCNWSKEOLI-KWEXDPCDSA-N -1 0 340.253 2.655 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000123760666 720858377 /nfs/dbraw/zinc/85/83/77/720858377.db2.gz AUSLSDVUJGNOKR-UHFFFAOYSA-N -1 0 346.380 2.899 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123839922 720865450 /nfs/dbraw/zinc/86/54/50/720865450.db2.gz QTRYNVMCZZVVOP-AWEZNQCLSA-N -1 0 329.787 2.983 20 30 EFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000261733579 720900448 /nfs/dbraw/zinc/90/04/48/720900448.db2.gz NCKYZOPEAJGFMF-QMMMGPOBSA-N -1 0 329.278 2.761 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(F)c1 ZINC000178808735 720966078 /nfs/dbraw/zinc/96/60/78/720966078.db2.gz QGRMOBBBNZSMQP-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1ncn(CC(F)(F)F)n1 ZINC000194822747 721066283 /nfs/dbraw/zinc/06/62/83/721066283.db2.gz GDSLTAWGICJYDT-UHFFFAOYSA-N -1 0 328.360 2.553 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000078002422 721071893 /nfs/dbraw/zinc/07/18/93/721071893.db2.gz IZDQWIWDTWCDNQ-UHFFFAOYSA-N -1 0 334.328 2.824 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000124172470 721379563 /nfs/dbraw/zinc/37/95/63/721379563.db2.gz AUOCJYWXCTZZOC-ZDUSSCGKSA-N -1 0 342.317 2.571 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@@H](C)C2 ZINC000124227818 721426285 /nfs/dbraw/zinc/42/62/85/721426285.db2.gz RPMGHISCWSKXMM-OCCSQVGLSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@@H](C)C2 ZINC000124228023 721426377 /nfs/dbraw/zinc/42/63/77/721426377.db2.gz RPMGHISCWSKXMM-TZMCWYRMSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)c1C ZINC000124237226 721436735 /nfs/dbraw/zinc/43/67/35/721436735.db2.gz UORLPPITSFWTQW-INIZCTEOSA-N -1 0 333.432 2.551 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(C3SCCS3)cc2)[n-]c1C#N ZINC000026274196 721473433 /nfs/dbraw/zinc/47/34/33/721473433.db2.gz LWCUARSTQCAMAP-UHFFFAOYSA-N -1 0 341.421 2.884 20 30 EFEDRM Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000026268657 721476858 /nfs/dbraw/zinc/47/68/58/721476858.db2.gz JQOLJABHVLINTO-UHFFFAOYSA-N -1 0 330.351 2.813 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1c[nH]cc1C ZINC000917507113 728751488 /nfs/dbraw/zinc/75/14/88/728751488.db2.gz OLBOJFGOTVZOQM-LBPRGKRZSA-N -1 0 341.367 2.650 20 30 EFEDRM N#CCSCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519248 722609193 /nfs/dbraw/zinc/60/91/93/722609193.db2.gz HOKVOEIVSONXSW-UHFFFAOYSA-N -1 0 339.225 2.895 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cnn1C ZINC000048593332 722669239 /nfs/dbraw/zinc/66/92/39/722669239.db2.gz MIEPUGWMKHUZIL-UHFFFAOYSA-N -1 0 348.211 2.729 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000126735158 723015581 /nfs/dbraw/zinc/01/55/81/723015581.db2.gz DKJTXWZEQPTKKF-GOSISDBHSA-N -1 0 344.374 2.511 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(OC(F)F)c1 ZINC000126819483 723204714 /nfs/dbraw/zinc/20/47/14/723204714.db2.gz VNFALYGCQIYLAQ-OAHLLOKOSA-N -1 0 344.317 2.927 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCC ZINC000909441502 723240571 /nfs/dbraw/zinc/24/05/71/723240571.db2.gz CRMGERFTSPWAFX-DLBZAZTESA-N -1 0 344.411 2.651 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000033474271 728840616 /nfs/dbraw/zinc/84/06/16/728840616.db2.gz CRWBRGFMLNMDED-RJRFIUFISA-N -1 0 327.292 2.968 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CSc1ccc2ccccc2c1 ZINC000181298475 728841567 /nfs/dbraw/zinc/84/15/67/728841567.db2.gz DQIPXDZFKKHBBO-UHFFFAOYSA-N -1 0 348.449 2.682 20 30 EFEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126939890 723795589 /nfs/dbraw/zinc/79/55/89/723795589.db2.gz AIXHOAUHPVILMA-GOSISDBHSA-N -1 0 334.375 2.890 20 30 EFEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226013 723854709 /nfs/dbraw/zinc/85/47/09/723854709.db2.gz DFBCBXRYLSCQNV-VURRPDKYSA-N -1 0 339.351 2.999 20 30 EFEDRM C=C1CCC(C(=O)NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)CC1 ZINC000909567438 723872812 /nfs/dbraw/zinc/87/28/12/723872812.db2.gz CUJADZSSPZZSOS-UHFFFAOYSA-N -1 0 339.395 2.933 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(Cl)c(C(F)(F)F)c2)c1=O ZINC000727253449 723874785 /nfs/dbraw/zinc/87/47/85/723874785.db2.gz CBVJLILFCHMRKE-UHFFFAOYSA-N -1 0 348.737 2.790 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])cc1F ZINC000727260850 723879166 /nfs/dbraw/zinc/87/91/66/723879166.db2.gz CLQURCWMUORYNU-UHFFFAOYSA-N -1 0 347.371 2.853 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000727262023 723881028 /nfs/dbraw/zinc/88/10/28/723881028.db2.gz RPRMOEKYQACBSX-UHFFFAOYSA-N -1 0 340.364 2.602 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000320539105 724004786 /nfs/dbraw/zinc/00/47/86/724004786.db2.gz OLRRDWSGAUJMDJ-UHFFFAOYSA-N -1 0 325.430 2.729 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000728509949 724061038 /nfs/dbraw/zinc/06/10/38/724061038.db2.gz AFDSSNIRMWKTQE-UHFFFAOYSA-N -1 0 335.406 2.561 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)c1 ZINC000918398631 728874800 /nfs/dbraw/zinc/87/48/00/728874800.db2.gz BCDPKLKIBAMZOI-NSHDSACASA-N -1 0 348.449 2.727 20 30 EFEDRM C=C[C@H](CC)CC(=O)OCC(=O)C1([N-]C(=O)C(F)(F)F)CCCC1 ZINC000909523942 724198741 /nfs/dbraw/zinc/19/87/41/724198741.db2.gz CSOVSVSJBVKXLY-LLVKDONJSA-N -1 0 349.349 2.692 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000320607771 724246289 /nfs/dbraw/zinc/24/62/89/724246289.db2.gz XWAMJYKLAQZCOT-UHFFFAOYSA-N -1 0 329.393 2.939 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(-c2ccccc2)n1 ZINC000089240398 724853724 /nfs/dbraw/zinc/85/37/24/724853724.db2.gz WASIJPUIPVDWSD-UHFFFAOYSA-N -1 0 333.413 2.664 20 30 EFEDRM Cc1ccc(-c2nc(C=Nn3c(=O)c(C)n[n-]c3=S)cs2)cc1 ZINC000918709274 728913645 /nfs/dbraw/zinc/91/36/45/728913645.db2.gz APVASRGQMGTKRR-UHFFFAOYSA-N -1 0 343.437 2.550 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2)n1 ZINC000069524512 728941103 /nfs/dbraw/zinc/94/11/03/728941103.db2.gz RGBAZNOUVWWETA-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM O=C(Cc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)c1cccs1 ZINC000069524706 728941245 /nfs/dbraw/zinc/94/12/45/728941245.db2.gz RFBHQNLKFVPBRY-UHFFFAOYSA-N -1 0 347.421 2.822 20 30 EFEDRM COc1cc(C=NNCCCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000729148164 725463684 /nfs/dbraw/zinc/46/36/84/725463684.db2.gz QASCSWHIVGHACH-UHFFFAOYSA-N -1 0 329.356 2.865 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cnc([C@@H]2CCCO2)s1 ZINC000089963751 725596563 /nfs/dbraw/zinc/59/65/63/725596563.db2.gz GVNMZOBKDWOBKX-QMMMGPOBSA-N -1 0 344.439 2.750 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000151839321 725845856 /nfs/dbraw/zinc/84/58/56/725845856.db2.gz DDNFYASJXXRXNQ-UHFFFAOYSA-N -1 0 329.368 2.847 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000151847030 725846507 /nfs/dbraw/zinc/84/65/07/725846507.db2.gz SNUSXRGBEIKHIM-UHFFFAOYSA-N -1 0 348.468 2.642 20 30 EFEDRM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3C#N)cc21 ZINC000152710890 726227552 /nfs/dbraw/zinc/22/75/52/726227552.db2.gz MOHASKOQJLYKSH-UHFFFAOYSA-N -1 0 327.409 2.741 20 30 EFEDRM O=C(Cc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)c1ccccc1 ZINC000075777193 726320362 /nfs/dbraw/zinc/32/03/62/726320362.db2.gz XSGSNIJFOZASDW-UHFFFAOYSA-N -1 0 341.392 2.760 20 30 EFEDRM COc1cc(C=NOC[C@H]2CCOC2)cc(Br)c1O ZINC000788035272 726863589 /nfs/dbraw/zinc/86/35/89/726863589.db2.gz ZAAOJKCURKHGDT-VIFPVBQESA-N -1 0 330.178 2.550 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(C)o2)[nH]n1 ZINC000193367384 726873913 /nfs/dbraw/zinc/87/39/13/726873913.db2.gz DMRDMAKJFGEGON-ZDUSSCGKSA-N -1 0 342.399 2.997 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(OC(F)F)c(Cl)c2)[n-]c1=O ZINC000731485992 726879787 /nfs/dbraw/zinc/87/97/87/726879787.db2.gz LTISAJJHRXGYOT-UHFFFAOYSA-N -1 0 329.694 2.586 20 30 EFEDRM CCCCCCCC[C@@H](N)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000901009006 726947015 /nfs/dbraw/zinc/94/70/15/726947015.db2.gz YYGANBHUSVIHSW-GFCCVEGCSA-N -1 0 332.491 2.631 20 30 EFEDRM N#Cc1ccc(C2CCN(S(=O)(=O)c3ccccc3[O-])CC2)cc1 ZINC000907507719 726956807 /nfs/dbraw/zinc/95/68/07/726956807.db2.gz FCWXZBCQLBJNHL-UHFFFAOYSA-N -1 0 342.420 2.832 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC000908109920 727099518 /nfs/dbraw/zinc/09/95/18/727099518.db2.gz RREZIBYYKYPTBB-UKRRQHHQSA-N -1 0 339.395 2.892 20 30 EFEDRM N#C[C@]1(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC2CCC1CC2 ZINC000908238965 727139129 /nfs/dbraw/zinc/13/91/29/727139129.db2.gz ZRJFEGNPGQPXNL-QCECMTGHSA-N -1 0 340.423 2.909 20 30 EFEDRM O=[N+]([O-])c1cc(C=NNc2ccc(Br)nc2)ccc1[O-] ZINC000732712787 727195082 /nfs/dbraw/zinc/19/50/82/727195082.db2.gz HSWNNVZIRXVNAQ-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C(=O)[O-] ZINC000908623977 727227336 /nfs/dbraw/zinc/22/73/36/727227336.db2.gz KHLFJFQZPUTZTQ-NSHDSACASA-N -1 0 344.289 2.534 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc21 ZINC000908633555 727229238 /nfs/dbraw/zinc/22/92/38/727229238.db2.gz VITLQOPARKXLKX-NHYWBVRUSA-N -1 0 330.388 2.843 20 30 EFEDRM CC(C)N(CC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000908768716 727260177 /nfs/dbraw/zinc/26/01/77/727260177.db2.gz NZFKZZAYWJJYQP-UHFFFAOYSA-N -1 0 342.317 2.562 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnc(C)s2)n1 ZINC000732865494 727263001 /nfs/dbraw/zinc/26/30/01/727263001.db2.gz AETGHBOCOPAFQY-AAOUONPWSA-N -1 0 347.421 2.649 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1 ZINC000732902652 727270400 /nfs/dbraw/zinc/27/04/00/727270400.db2.gz NWPSYWXSUCQCPE-SGUJLRQBSA-N -1 0 347.421 2.974 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000908957815 727298945 /nfs/dbraw/zinc/29/89/45/727298945.db2.gz CFFRVGGXJBDPQY-CQSZACIVSA-N -1 0 349.431 2.677 20 30 EFEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909030534 727307418 /nfs/dbraw/zinc/30/74/18/727307418.db2.gz LMQDPKPBXQSYCL-CYBMUJFWSA-N -1 0 326.780 2.740 20 30 EFEDRM C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000909030940 727307421 /nfs/dbraw/zinc/30/74/21/727307421.db2.gz QQLILSMPFVHYBJ-LBPRGKRZSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909097119 727322104 /nfs/dbraw/zinc/32/21/04/727322104.db2.gz KACXBJNHIOHIDK-WBVHZDCISA-N -1 0 345.443 2.622 20 30 EFEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129259364 727333319 /nfs/dbraw/zinc/33/33/19/727333319.db2.gz XLXUFNOIAVBCAW-ZDUSSCGKSA-N -1 0 325.393 2.720 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000909255225 727353307 /nfs/dbraw/zinc/35/33/07/727353307.db2.gz NJYGRERJWAVDNQ-OAHLLOKOSA-N -1 0 344.411 2.917 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(Cc2cccc(F)c2)CCOCC1)C(=O)[O-] ZINC000909712863 727366337 /nfs/dbraw/zinc/36/63/37/727366337.db2.gz CDSSSCIEMHBFFL-INIZCTEOSA-N -1 0 349.402 2.701 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(Cc2cccc(F)c2)CCOCC1)C(=O)[O-] ZINC000909712864 727366363 /nfs/dbraw/zinc/36/63/63/727366363.db2.gz CDSSSCIEMHBFFL-MRXNPFEDSA-N -1 0 349.402 2.701 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)[O-] ZINC000909712827 727366416 /nfs/dbraw/zinc/36/64/16/727366416.db2.gz BGIVFURSUVJYLA-CQSZACIVSA-N -1 0 334.416 2.727 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000909715350 727366480 /nfs/dbraw/zinc/36/64/80/727366480.db2.gz QWQPZQSCGKRYNZ-SFHVURJKSA-N -1 0 349.452 2.918 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000909717198 727368061 /nfs/dbraw/zinc/36/80/61/727368061.db2.gz DGZVFTXMRXYQRO-LLVKDONJSA-N -1 0 327.764 2.594 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC000909770313 727373581 /nfs/dbraw/zinc/37/35/81/727373581.db2.gz FDXRWGBJRZGENH-RHSMWYFYSA-N -1 0 348.443 2.837 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)OCC ZINC000909799269 727375921 /nfs/dbraw/zinc/37/59/21/727375921.db2.gz WKERGWRYEOAJMH-XJKSGUPXSA-N -1 0 335.400 2.699 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)OCC ZINC000909799268 727375928 /nfs/dbraw/zinc/37/59/28/727375928.db2.gz WKERGWRYEOAJMH-CZUORRHYSA-N -1 0 335.400 2.699 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])OCC ZINC000909819960 727383903 /nfs/dbraw/zinc/38/39/03/727383903.db2.gz LKYQIKRCLCRXCR-OIISXLGYSA-N -1 0 333.428 2.806 20 30 EFEDRM C=CCCSCCNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909942662 727397321 /nfs/dbraw/zinc/39/73/21/727397321.db2.gz ISEDHKOLQNWHHN-UHFFFAOYSA-N -1 0 332.425 2.834 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000910053156 727406116 /nfs/dbraw/zinc/40/61/16/727406116.db2.gz DFTUGYAVKNQEPJ-SECBINFHSA-N -1 0 334.224 2.970 20 30 EFEDRM C#CC[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)C(=O)[O-] ZINC000910046633 727408000 /nfs/dbraw/zinc/40/80/00/727408000.db2.gz SZSZSPLNZZIJRD-CYBMUJFWSA-N -1 0 339.313 2.720 20 30 EFEDRM C#CC[C@@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910048765 727408133 /nfs/dbraw/zinc/40/81/33/727408133.db2.gz OGEQBZNJMRYDHS-GFCCVEGCSA-N -1 0 327.302 2.576 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910068747 727409948 /nfs/dbraw/zinc/40/99/48/727409948.db2.gz JFJPINVJRPEKKR-KBXCAEBGSA-N -1 0 341.407 2.933 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)OCC ZINC000910102028 727412430 /nfs/dbraw/zinc/41/24/30/727412430.db2.gz JVVCVSHDPGDGIK-CHWSQXEVSA-N -1 0 338.429 2.876 20 30 EFEDRM N#CCc1cccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)c1 ZINC000910115554 727413871 /nfs/dbraw/zinc/41/38/71/727413871.db2.gz ZDVGPTFZTFVYST-CQSZACIVSA-N -1 0 341.392 2.885 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910232202 727420524 /nfs/dbraw/zinc/42/05/24/727420524.db2.gz HESKHTIGVZAJOZ-IXPVHAAZSA-N -1 0 337.347 2.597 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233598 727420775 /nfs/dbraw/zinc/42/07/75/727420775.db2.gz OKVODORZQPOUIJ-DIFFPNOSSA-N -1 0 339.363 2.845 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233602 727420800 /nfs/dbraw/zinc/42/08/00/727420800.db2.gz OKVODORZQPOUIJ-PIGZYNQJSA-N -1 0 339.363 2.845 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)[O-] ZINC000910293383 727430862 /nfs/dbraw/zinc/43/08/62/727430862.db2.gz YCHJXEHGVOIAIY-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1cccc(Br)c1C)C(=O)[O-] ZINC000910293701 727430940 /nfs/dbraw/zinc/43/09/40/727430940.db2.gz KQNQESIWUIGAQU-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccn1 ZINC000910361045 727433978 /nfs/dbraw/zinc/43/39/78/727433978.db2.gz PYDTUKOVLJEIDD-LBPRGKRZSA-N -1 0 328.397 2.657 20 30 EFEDRM C=CC(C)(C)C(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000910380744 727437486 /nfs/dbraw/zinc/43/74/86/727437486.db2.gz YEAAHPPOCNHKKP-GFCCVEGCSA-N -1 0 345.317 2.909 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC000910614550 727453362 /nfs/dbraw/zinc/45/33/62/727453362.db2.gz BAFAYDKOYBKQQR-IKNQFMJRSA-N -1 0 343.423 2.875 20 30 EFEDRM C#Cc1cncc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000910721449 727459627 /nfs/dbraw/zinc/45/96/27/727459627.db2.gz LNEDHJMCGWASQY-ZDUSSCGKSA-N -1 0 341.392 2.503 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(=O)[O-] ZINC000910911771 727471425 /nfs/dbraw/zinc/47/14/25/727471425.db2.gz IBKQCNWXXKILCA-HNNXBMFYSA-N -1 0 344.415 2.627 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC000910913919 727471657 /nfs/dbraw/zinc/47/16/57/727471657.db2.gz GCICZYVGYKRRGC-MRXNPFEDSA-N -1 0 345.374 2.859 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000910913442 727471702 /nfs/dbraw/zinc/47/17/02/727471702.db2.gz WUHPLIXJSGYABH-OAHLLOKOSA-N -1 0 344.415 2.860 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)[O-] ZINC000910914505 727471763 /nfs/dbraw/zinc/47/17/63/727471763.db2.gz LEUFUSUQTQYWFQ-HNNXBMFYSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)C(=O)[O-] ZINC000910914786 727471790 /nfs/dbraw/zinc/47/17/90/727471790.db2.gz KFSDTFSSJLFVIZ-GFCCVEGCSA-N -1 0 341.791 2.984 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-n2cc(C)cn2)cc1)C(=O)[O-] ZINC000910914730 727471795 /nfs/dbraw/zinc/47/17/95/727471795.db2.gz NSJYOFLABRWFJY-MRXNPFEDSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000910914769 727471822 /nfs/dbraw/zinc/47/18/22/727471822.db2.gz OFPKJAQBVNIXEW-INIZCTEOSA-N -1 0 339.395 2.991 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000910917407 727472005 /nfs/dbraw/zinc/47/20/05/727472005.db2.gz QCJWGLUZHWCKSW-HNNXBMFYSA-N -1 0 345.374 2.859 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1Br)C(=O)[O-] ZINC000910918988 727472147 /nfs/dbraw/zinc/47/21/47/727472147.db2.gz SJIKTTMBFSAALO-GFCCVEGCSA-N -1 0 326.190 2.988 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(C2CCOCC2)c1C)C(=O)[O-] ZINC000910922386 727472281 /nfs/dbraw/zinc/47/22/81/727472281.db2.gz JCFLZHSYUUKOOV-QGZVFWFLSA-N -1 0 348.443 2.996 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)o1)C(=O)[O-] ZINC000910926377 727472477 /nfs/dbraw/zinc/47/24/77/727472477.db2.gz SELUXPCUNFEONE-SECBINFHSA-N -1 0 335.278 2.760 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OCC(F)(F)F)o1)C(=O)[O-] ZINC000910926379 727472483 /nfs/dbraw/zinc/47/24/83/727472483.db2.gz SELUXPCUNFEONE-VIFPVBQESA-N -1 0 335.278 2.760 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2cccc(OC)c12)C(=O)[O-] ZINC000910927438 727472534 /nfs/dbraw/zinc/47/25/34/727472534.db2.gz YOIMKTAJFNDOAD-AWEZNQCLSA-N -1 0 330.384 2.645 20 30 EFEDRM C=C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])CC1 ZINC000911151315 727502108 /nfs/dbraw/zinc/50/21/08/727502108.db2.gz WGUGZHKWJGBWOL-UHFFFAOYSA-N -1 0 344.411 2.906 20 30 EFEDRM C=C(C)[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000911675319 727579873 /nfs/dbraw/zinc/57/98/73/727579873.db2.gz BFRDHGRJLLBPSE-OAHLLOKOSA-N -1 0 329.368 2.906 20 30 EFEDRM C=CCCC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(Cc2ccccc2)c1C ZINC000911681648 727581441 /nfs/dbraw/zinc/58/14/41/727581441.db2.gz NZPMCVLGRWUWKJ-GOSISDBHSA-N -1 0 341.411 2.756 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000915919841 727639715 /nfs/dbraw/zinc/63/97/15/727639715.db2.gz JDMGELRUZVCMRC-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000915920551 727640018 /nfs/dbraw/zinc/64/00/18/727640018.db2.gz ONTVHEWFXINGFJ-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000915925938 727640661 /nfs/dbraw/zinc/64/06/61/727640661.db2.gz TWLACEMGXZMISO-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM O=c1c2ccccc2ncn1N=Cc1cccc(Br)c1[O-] ZINC000915955215 727642322 /nfs/dbraw/zinc/64/23/22/727642322.db2.gz BHPNKMPKWNNOFT-UHFFFAOYSA-N -1 0 344.168 2.747 20 30 EFEDRM CCCCCNC(=S)NN=C1CCCc2oc(C(=O)[O-])c(C)c21 ZINC000915954867 727642330 /nfs/dbraw/zinc/64/23/30/727642330.db2.gz OLBYTXYVSKOJLC-UHFFFAOYSA-N -1 0 337.445 2.981 20 30 EFEDRM CCCCNN=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000915969202 727643788 /nfs/dbraw/zinc/64/37/88/727643788.db2.gz FPTRWLLAELMZMZ-UHFFFAOYSA-N -1 0 329.194 2.636 20 30 EFEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000915983056 727645246 /nfs/dbraw/zinc/64/52/46/727645246.db2.gz OLNWCQIVTLYCFV-PQQLAPNWSA-N -1 0 325.324 2.975 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2nccnc2Cl)cc1 ZINC000733078902 727659747 /nfs/dbraw/zinc/65/97/47/727659747.db2.gz NCYXGMHONBJOSQ-UHFFFAOYSA-N -1 0 342.689 2.632 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OCC(=O)[O-] ZINC000916155749 727661639 /nfs/dbraw/zinc/66/16/39/727661639.db2.gz XRVWADNHFALQQW-FNORWQNLSA-N -1 0 328.320 2.760 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000916157251 727661911 /nfs/dbraw/zinc/66/19/11/727661911.db2.gz PIAGIYZDSQKGAH-HJWRWDBZSA-N -1 0 327.292 2.954 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000916240885 727668479 /nfs/dbraw/zinc/66/84/79/727668479.db2.gz SORDPEQLKMDBPV-UHFFFAOYSA-N -1 0 345.311 2.756 20 30 EFEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(O)c1O ZINC000916260138 727669915 /nfs/dbraw/zinc/66/99/15/727669915.db2.gz ZLIUUNXQZAGOMR-UHFFFAOYSA-N -1 0 336.731 2.904 20 30 EFEDRM CCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OCC ZINC000916283961 727671630 /nfs/dbraw/zinc/67/16/30/727671630.db2.gz DEJURGSLYWMREL-UHFFFAOYSA-N -1 0 331.376 2.519 20 30 EFEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(Br)c1 ZINC000916282619 727673555 /nfs/dbraw/zinc/67/35/55/727673555.db2.gz LJHHXDISAJWAFI-UHFFFAOYSA-N -1 0 336.193 2.874 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(Cl)nn2)c1[O-] ZINC000916287625 727673848 /nfs/dbraw/zinc/67/38/48/727673848.db2.gz GHRBUHJHLPXPJI-UHFFFAOYSA-N -1 0 328.115 2.843 20 30 EFEDRM CCOc1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1O ZINC000916305085 727675432 /nfs/dbraw/zinc/67/54/32/727675432.db2.gz LELHTAKVDGRHKS-UHFFFAOYSA-N -1 0 332.307 2.572 20 30 EFEDRM C#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000916605147 727700366 /nfs/dbraw/zinc/70/03/66/727700366.db2.gz XPXOMRYMMBWJCZ-UHFFFAOYSA-N -1 0 347.367 2.725 20 30 EFEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000916823082 727737666 /nfs/dbraw/zinc/73/76/66/727737666.db2.gz WSYDHTWPICSADU-UHFFFAOYSA-N -1 0 329.466 2.756 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916866933 727740187 /nfs/dbraw/zinc/74/01/87/727740187.db2.gz NMKBOLNVIYOONR-GFCCVEGCSA-N -1 0 343.364 2.754 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000916868699 727740401 /nfs/dbraw/zinc/74/04/01/727740401.db2.gz UVSUDQYAXMDKGT-CYBMUJFWSA-N -1 0 348.399 2.906 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916918627 727741809 /nfs/dbraw/zinc/74/18/09/727741809.db2.gz UOUYWJDDHSBQEU-CYBMUJFWSA-N -1 0 338.388 2.932 20 30 EFEDRM COCC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000912961413 727762661 /nfs/dbraw/zinc/76/26/61/727762661.db2.gz AMLBSMGBUPQJOU-UHFFFAOYSA-N -1 0 329.312 2.636 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NOC2CCOCC2)c1 ZINC000901222738 727780720 /nfs/dbraw/zinc/78/07/20/727780720.db2.gz RWOQJNHDDQLHFJ-UHFFFAOYSA-N -1 0 328.162 2.677 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000129505873 727813673 /nfs/dbraw/zinc/81/36/73/727813673.db2.gz HDHSYJGSOKKPSU-LLVKDONJSA-N -1 0 347.168 2.796 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)cc1 ZINC000054801477 727880277 /nfs/dbraw/zinc/88/02/77/727880277.db2.gz AXMODUNHQYSYCY-UHFFFAOYSA-N -1 0 335.429 2.651 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156515726 727927148 /nfs/dbraw/zinc/92/71/48/727927148.db2.gz IIPYIQIFNQPSNZ-NSHDSACASA-N -1 0 343.608 2.950 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000156564898 727929975 /nfs/dbraw/zinc/92/99/75/727929975.db2.gz YHXWLXFWDHWCCH-AWEZNQCLSA-N -1 0 337.310 2.702 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000183127573 727968184 /nfs/dbraw/zinc/96/81/84/727968184.db2.gz VLDNTHNTWOBSON-GFCCVEGCSA-N -1 0 327.365 2.650 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183126718 727968211 /nfs/dbraw/zinc/96/82/11/727968211.db2.gz LJLQYZUADMJHKN-CYBMUJFWSA-N -1 0 341.392 2.958 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183129047 727968297 /nfs/dbraw/zinc/96/82/97/727968297.db2.gz DPTSQRUCXPIJBY-LBPRGKRZSA-N -1 0 344.392 2.981 20 30 EFEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000045099834 727972580 /nfs/dbraw/zinc/97/25/80/727972580.db2.gz MYQPMPXDWAJXIN-UHFFFAOYSA-N -1 0 337.372 2.999 20 30 EFEDRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183135828 727975507 /nfs/dbraw/zinc/97/55/07/727975507.db2.gz MHTCGDZOMGPARG-SNVBAGLBSA-N -1 0 338.410 2.848 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000165218822 728022390 /nfs/dbraw/zinc/02/23/90/728022390.db2.gz QUXUYNNKBQAVPF-BZUAXINKSA-N -1 0 346.452 2.970 20 30 EFEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000058045018 728130791 /nfs/dbraw/zinc/13/07/91/728130791.db2.gz OPHUOQPKOANYCF-UHFFFAOYSA-N -1 0 332.447 2.610 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000058070767 728136995 /nfs/dbraw/zinc/13/69/95/728136995.db2.gz PMAJXSAKONVPBO-UHFFFAOYSA-N -1 0 326.374 2.870 20 30 EFEDRM CCCSCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058112133 728144346 /nfs/dbraw/zinc/14/43/46/728144346.db2.gz ZNRXLWNTXHLTMI-UHFFFAOYSA-N -1 0 339.442 2.661 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CC=CCC1 ZINC000058112159 728144419 /nfs/dbraw/zinc/14/44/19/728144419.db2.gz OXMZNWJOTLUJKU-CYBMUJFWSA-N -1 0 331.397 2.874 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1F ZINC000058113373 728144599 /nfs/dbraw/zinc/14/45/99/728144599.db2.gz MMTYWYBWYWYIKB-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152885 728147098 /nfs/dbraw/zinc/14/70/98/728147098.db2.gz BWOBUMNXMBYZBJ-UHFFFAOYSA-N -1 0 340.788 2.578 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3n2)c1 ZINC000058186045 728149017 /nfs/dbraw/zinc/14/90/17/728149017.db2.gz BMRAAIAZHDZNJW-UHFFFAOYSA-N -1 0 342.376 2.937 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000130969578 728163585 /nfs/dbraw/zinc/16/35/85/728163585.db2.gz ILQZXFHTEARESA-AWEZNQCLSA-N -1 0 341.392 2.880 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000046929719 728324862 /nfs/dbraw/zinc/32/48/62/728324862.db2.gz XVYNMUVFZXXELK-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046927584 728325638 /nfs/dbraw/zinc/32/56/38/728325638.db2.gz JEKLLFIKOCIHJQ-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927669 728325773 /nfs/dbraw/zinc/32/57/73/728325773.db2.gz AXDJHVPXHXDRNP-UHFFFAOYSA-N -1 0 326.355 2.544 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927592 728325793 /nfs/dbraw/zinc/32/57/93/728325793.db2.gz UPUHWINISFLWKP-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)OCC3(C#N)CCC3)cc2[n-]c1=S ZINC000183898129 728388086 /nfs/dbraw/zinc/38/80/86/728388086.db2.gz IAQRIKKGIJRLLC-UHFFFAOYSA-N -1 0 343.408 2.556 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)s1 ZINC000060766048 728421417 /nfs/dbraw/zinc/42/14/17/728421417.db2.gz WNDLRIMKGWGNTH-UHFFFAOYSA-N -1 0 339.438 2.961 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nc1C ZINC000171145884 728519560 /nfs/dbraw/zinc/51/95/60/728519560.db2.gz VPUWCWKIACYHED-MRXNPFEDSA-N -1 0 338.411 2.810 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc(C(F)F)c2)c1 ZINC000171565498 728541104 /nfs/dbraw/zinc/54/11/04/728541104.db2.gz SGFDALMPUPNOEL-UHFFFAOYSA-N -1 0 336.319 2.615 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)s1 ZINC000230373322 728577490 /nfs/dbraw/zinc/57/74/90/728577490.db2.gz AXZHNTHZIOAYSZ-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(F)c(Br)c1 ZINC000173935359 728640854 /nfs/dbraw/zinc/64/08/54/728640854.db2.gz SDOUMJNYWRJQLK-JTQLQIEISA-N -1 0 339.164 2.533 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000173907071 728641457 /nfs/dbraw/zinc/64/14/57/728641457.db2.gz DDMIEVXDKXPKAS-UHFFFAOYSA-N -1 0 339.457 2.708 20 30 EFEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000173937091 728643482 /nfs/dbraw/zinc/64/34/82/728643482.db2.gz MJQPSMZTGCHZGC-CYBMUJFWSA-N -1 0 335.201 2.702 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cccc(OCC=C(C)C)c1 ZINC000173938382 728643708 /nfs/dbraw/zinc/64/37/08/728643708.db2.gz VIVIRZLOMHYEIT-KRWDZBQOSA-N -1 0 344.411 2.507 20 30 EFEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)NC(C)C)s2)cc1 ZINC000173982261 728644210 /nfs/dbraw/zinc/64/42/10/728644210.db2.gz ALLOQEAYNRYTDT-CYBMUJFWSA-N -1 0 343.408 2.666 20 30 EFEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)NC(C)C)s2)cc1 ZINC000173982250 728644239 /nfs/dbraw/zinc/64/42/39/728644239.db2.gz ALLOQEAYNRYTDT-ZDUSSCGKSA-N -1 0 343.408 2.666 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cc(Br)c(C)cc1C)C(=O)[O-] ZINC000900335203 728679170 /nfs/dbraw/zinc/67/91/70/728679170.db2.gz CARXKKKOJUERQX-NSHDSACASA-N -1 0 339.189 2.664 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)NCC(=O)c1cc2ccccc2s1 ZINC000919082172 728969323 /nfs/dbraw/zinc/96/93/23/728969323.db2.gz WJMDKKIEAIMCGZ-UHFFFAOYSA-N -1 0 336.438 2.553 20 30 EFEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000069573209 729005983 /nfs/dbraw/zinc/00/59/83/729005983.db2.gz NDVDHAGXRQDIDI-UHFFFAOYSA-N -1 0 334.397 2.894 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1cccn1Cc1ccccc1 ZINC000069573222 729006240 /nfs/dbraw/zinc/00/62/40/729006240.db2.gz APKRABFFOHZHTK-UHFFFAOYSA-N -1 0 341.392 2.625 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000154988565 729030340 /nfs/dbraw/zinc/03/03/40/729030340.db2.gz AOFJGMWBZBGGQG-ZDUSSCGKSA-N -1 0 346.770 2.623 20 30 EFEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604904 729047372 /nfs/dbraw/zinc/04/73/72/729047372.db2.gz NYTMZPBRPNZLGE-SCZZXKLOSA-N -1 0 337.319 2.776 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1 ZINC000155029504 729057534 /nfs/dbraw/zinc/05/75/34/729057534.db2.gz JQTQXULCLYFIIT-CQSZACIVSA-N -1 0 328.393 2.704 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000155041723 729063388 /nfs/dbraw/zinc/06/33/88/729063388.db2.gz WVHNMPZFTABRAA-INIZCTEOSA-N -1 0 326.352 2.544 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC3)cc1 ZINC000155057810 729070207 /nfs/dbraw/zinc/07/02/07/729070207.db2.gz YWYCADRYPWXCEF-LJQANCHMSA-N -1 0 348.402 2.823 20 30 EFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000920115226 729146682 /nfs/dbraw/zinc/14/66/82/729146682.db2.gz AKTJLYYCCUOTBZ-LBPRGKRZSA-N -1 0 336.351 2.838 20 30 EFEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000920323335 729173545 /nfs/dbraw/zinc/17/35/45/729173545.db2.gz AMOJYKPLUANOPD-QGZVFWFLSA-N -1 0 330.428 2.893 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)OCCC(C)C)n1 ZINC000921091133 729259174 /nfs/dbraw/zinc/25/91/74/729259174.db2.gz FOTUAIRULTUQJZ-QWHCGFSZSA-N -1 0 338.429 2.622 20 30 EFEDRM O=C1c2ccccc2S(=O)(=O)C/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000175320243 729494095 /nfs/dbraw/zinc/49/40/95/729494095.db2.gz BUWTXFYSZWYIGW-YHYXMXQVSA-N -1 0 336.315 2.724 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)C1(c2ccc(F)cc2)CCC1 ZINC000064619089 729502010 /nfs/dbraw/zinc/50/20/10/729502010.db2.gz WXXMBGUIHZAXLM-UHFFFAOYSA-N -1 0 340.420 2.935 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000175685747 729516411 /nfs/dbraw/zinc/51/64/11/729516411.db2.gz ZJPJGOLCQYVBSN-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000068490754 729705481 /nfs/dbraw/zinc/70/54/81/729705481.db2.gz UHAPNNZVGCHEBK-LLVKDONJSA-N -1 0 345.417 2.554 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001465105490 804069467 /nfs/dbraw/zinc/06/94/67/804069467.db2.gz CVLXFXZPUVPYGU-UONOGXRCSA-N -1 0 343.470 2.709 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001465118085 804179117 /nfs/dbraw/zinc/17/91/17/804179117.db2.gz LVQSINZZBYNUSS-CABCVRRESA-N -1 0 339.413 2.637 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000776617952 939088829 /nfs/dbraw/zinc/08/88/29/939088829.db2.gz RTJNKJUJJTVBMP-OAHLLOKOSA-N -1 0 330.290 2.587 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000780569518 939133820 /nfs/dbraw/zinc/13/38/20/939133820.db2.gz XEJKVQBMZAZPDH-INIZCTEOSA-N -1 0 330.384 2.854 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797731763 939195212 /nfs/dbraw/zinc/19/52/12/939195212.db2.gz HXKANGFYFLXMQW-KRWDZBQOSA-N -1 0 342.395 2.857 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC000797736723 939199243 /nfs/dbraw/zinc/19/92/43/939199243.db2.gz BQZWLMJYQSZANJ-QGZVFWFLSA-N -1 0 336.347 2.550 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)c1 ZINC000797737338 939199917 /nfs/dbraw/zinc/19/99/17/939199917.db2.gz XXALUHBIHDDIGQ-MRXNPFEDSA-N -1 0 342.326 2.763 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000797742539 939204602 /nfs/dbraw/zinc/20/46/02/939204602.db2.gz BEJMFYWTOSBNFC-CQSZACIVSA-N -1 0 330.365 2.708 20 30 EFEDRM N#Cc1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1Cl ZINC001601100264 970931836 /nfs/dbraw/zinc/93/18/36/970931836.db2.gz KZWFTZZNCWOUKQ-XQRVVYSFSA-N -1 0 330.727 2.832 20 30 EFEDRM C#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001602671316 971234459 /nfs/dbraw/zinc/23/44/59/971234459.db2.gz BYQAZOYSISODCA-INIZCTEOSA-N -1 0 343.766 2.908 20 30 EFEDRM C#C[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(Cl)cc1 ZINC001602671763 971235303 /nfs/dbraw/zinc/23/53/03/971235303.db2.gz FZCKTKWIZABLEF-CYBMUJFWSA-N -1 0 337.828 2.729 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC001602682331 971267589 /nfs/dbraw/zinc/26/75/89/971267589.db2.gz NGBZBBZIYJDWOA-KHPPLWFESA-N -1 0 327.380 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC001602682827 971271103 /nfs/dbraw/zinc/27/11/03/971271103.db2.gz VMMWJGKZHFVCBC-WQLSENKSSA-N -1 0 345.704 2.832 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cc(Cl)cc(Cl)c1F ZINC001602683784 971275113 /nfs/dbraw/zinc/27/51/13/971275113.db2.gz JPFVAKWNCGKEFO-MRVPVSSYSA-N -1 0 347.173 2.923 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001602685629 971282018 /nfs/dbraw/zinc/28/20/18/971282018.db2.gz CASMCSQXJSVKLD-IAGOWNOFSA-N -1 0 328.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001602688287 971289529 /nfs/dbraw/zinc/28/95/29/971289529.db2.gz IBDFNJMHFFLUOL-LBPRGKRZSA-N -1 0 332.253 2.811 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001602691805 971299003 /nfs/dbraw/zinc/29/90/03/971299003.db2.gz ZXQVJOXQHGBDCO-HNNXBMFYSA-N -1 0 337.375 2.987 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(CC)cc2)n1 ZINC001602692020 971299900 /nfs/dbraw/zinc/29/99/00/971299900.db2.gz AXIDBMOYCFYXOT-UHFFFAOYSA-N -1 0 328.393 2.533 20 30 EFEDRM C#Cc1cccc(N(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C(C)C)c1 ZINC001602707380 971343629 /nfs/dbraw/zinc/34/36/29/971343629.db2.gz SLABARNHVVPTHI-RDJZCZTQSA-N -1 0 329.396 2.679 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602709765 971347673 /nfs/dbraw/zinc/34/76/73/971347673.db2.gz JNYSDXJSNJQXQD-ZDUSSCGKSA-N -1 0 330.388 2.642 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602718994 971379547 /nfs/dbraw/zinc/37/95/47/971379547.db2.gz JKTAEMVQWYAQJF-NWPKHEMWSA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001602722644 971387912 /nfs/dbraw/zinc/38/79/12/971387912.db2.gz DFNUYPVNTUEFQE-UHFFFAOYSA-N -1 0 337.416 2.938 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001602723114 971393439 /nfs/dbraw/zinc/39/34/39/971393439.db2.gz NBUJWPRZTYLPRM-CYBMUJFWSA-N -1 0 331.397 2.605 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1OC ZINC001602728957 971398234 /nfs/dbraw/zinc/39/82/34/971398234.db2.gz RLDHQGKQNNLGQC-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001602730867 971409461 /nfs/dbraw/zinc/40/94/61/971409461.db2.gz HMWULSNRCDOHLG-UNEWFSDZSA-N -1 0 329.396 2.648 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC001602778758 971513327 /nfs/dbraw/zinc/51/33/27/971513327.db2.gz MIBUHSAYOPHCRX-OAHLLOKOSA-N -1 0 340.301 2.636 20 30 EFEDRM CC(C)(C)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001602781689 971525491 /nfs/dbraw/zinc/52/54/91/971525491.db2.gz GBTAWEVENCLVSD-INIZCTEOSA-N -1 0 333.344 2.835 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCCc1ccc(Cl)s1 ZINC001602781380 971523437 /nfs/dbraw/zinc/52/34/37/971523437.db2.gz YMQBLHRBNDGTEF-CQSZACIVSA-N -1 0 328.821 2.845 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc3scnc3c2s1 ZINC001602782226 971528780 /nfs/dbraw/zinc/52/87/80/971528780.db2.gz QYGDWAOQEMYOKI-AWEZNQCLSA-N -1 0 346.393 2.849 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC001589584739 949034234 /nfs/dbraw/zinc/03/42/34/949034234.db2.gz VIXYPXBDULWZMA-IBGZPJMESA-N -1 0 328.412 2.939 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602786518 971535260 /nfs/dbraw/zinc/53/52/60/971535260.db2.gz VTJNMYLYQKKSSJ-SNVBAGLBSA-N -1 0 326.312 2.715 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 ZINC001589598347 949182818 /nfs/dbraw/zinc/18/28/18/949182818.db2.gz MGACZWVSMLFMMR-GOSISDBHSA-N -1 0 325.368 2.757 20 30 EFEDRM CN(C(=O)CSc1nc(C(=O)[O-])cs1)C1(C#N)CCCCC1 ZINC000379070355 971596621 /nfs/dbraw/zinc/59/66/21/971596621.db2.gz ZIFASCNMFACSPO-UHFFFAOYSA-N -1 0 339.442 2.618 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001589639711 949668596 /nfs/dbraw/zinc/66/85/96/949668596.db2.gz IWJQLSQICVMBTI-HOTGVXAUSA-N -1 0 334.416 2.770 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(c2ccc(C#N)c(Br)c2F)C1 ZINC000231842248 949756136 /nfs/dbraw/zinc/75/61/36/949756136.db2.gz WTZAUKNSFMUITF-CYBMUJFWSA-N -1 0 327.153 2.761 20 30 EFEDRM CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001589700777 950236713 /nfs/dbraw/zinc/23/67/13/950236713.db2.gz WQPCTMRRUIXPLB-RRQGHBQHSA-N -1 0 344.411 2.738 20 30 EFEDRM CC(C)(C#N)CCCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602829976 971646340 /nfs/dbraw/zinc/64/63/40/971646340.db2.gz DHIGNXHSNIHXDA-HNNXBMFYSA-N -1 0 343.383 2.579 20 30 EFEDRM CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](C)C(=O)[O-] ZINC001589710706 950320227 /nfs/dbraw/zinc/32/02/27/950320227.db2.gz ATRGDMVVPHTIOV-GFCCVEGCSA-N -1 0 339.351 2.681 20 30 EFEDRM CCN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C#N)c(Cl)c1 ZINC001589711437 950334213 /nfs/dbraw/zinc/33/42/13/950334213.db2.gz VFSDUMWADGLJCI-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)OCC2(C(=O)[O-])CCOCC2)cc1 ZINC001602831127 971657352 /nfs/dbraw/zinc/65/73/52/971657352.db2.gz RLBBUSNBPXFUQY-UHFFFAOYSA-N -1 0 331.368 2.526 20 30 EFEDRM CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)C(=O)[O-] ZINC001589718697 950381857 /nfs/dbraw/zinc/38/18/57/950381857.db2.gz DIMUMWMSABELMM-LLVKDONJSA-N -1 0 349.456 2.622 20 30 EFEDRM O=C([O-])[C@@H]1CCCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001595161240 952197145 /nfs/dbraw/zinc/19/71/45/952197145.db2.gz MZYPCUGHYTUFGL-ZDUSSCGKSA-N -1 0 325.286 2.523 20 30 EFEDRM C#C[C@@](C)(CC)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000384186725 971915442 /nfs/dbraw/zinc/91/54/42/971915442.db2.gz SRLHNNPIAATPLD-HNNXBMFYSA-N -1 0 337.422 2.680 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001593635224 953606245 /nfs/dbraw/zinc/60/62/45/953606245.db2.gz IATSRLBOURSBBU-ULQDDVLXSA-N -1 0 344.411 2.542 20 30 EFEDRM CON=Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000588508336 953738534 /nfs/dbraw/zinc/73/85/34/953738534.db2.gz KGSWPWSXFQQWQX-PMPSAXMXSA-N -1 0 330.384 2.525 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)C(CC)(CC)C(=O)[O-] ZINC001593663538 953815377 /nfs/dbraw/zinc/81/53/77/953815377.db2.gz SLSISSVGYWQLFJ-UHFFFAOYSA-N -1 0 328.372 2.757 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602974031 971982294 /nfs/dbraw/zinc/98/22/94/971982294.db2.gz CMDJYWVYXNUVRY-OAHLLOKOSA-N -1 0 341.770 2.644 20 30 EFEDRM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001593766588 954522827 /nfs/dbraw/zinc/52/28/27/954522827.db2.gz TUCZQGXPMICGIE-GOSISDBHSA-N -1 0 349.390 2.607 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001589426747 954631718 /nfs/dbraw/zinc/63/17/18/954631718.db2.gz PDWFDWQRICZMSU-DNVCBOLYSA-N -1 0 342.395 2.795 20 30 EFEDRM CC[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001589547070 955204782 /nfs/dbraw/zinc/20/47/82/955204782.db2.gz WCHFMBBBPLFWLR-CYBMUJFWSA-N -1 0 339.351 2.586 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000782365026 955343488 /nfs/dbraw/zinc/34/34/88/955343488.db2.gz GSENZTXVBPZZKT-XCVCLJGOSA-N -1 0 336.347 2.811 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C#N ZINC001594503628 955345770 /nfs/dbraw/zinc/34/57/70/955345770.db2.gz FJKMKZDCYONHQC-DGCLKSJQSA-N -1 0 342.380 2.758 20 30 EFEDRM Cc1nsc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C#N ZINC001594503732 955345925 /nfs/dbraw/zinc/34/59/25/955345925.db2.gz MMBCSGDFRPBXMJ-UHFFFAOYSA-N -1 0 330.369 2.984 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC000831082382 955552287 /nfs/dbraw/zinc/55/22/87/955552287.db2.gz FNQALVJGJYONQO-OLUVUFQESA-N -1 0 338.766 2.706 20 30 EFEDRM Cn1cc(CNc2cncc(C(=O)[O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC001594543142 955670789 /nfs/dbraw/zinc/67/07/89/955670789.db2.gz FDKXPIATMYQPMK-UHFFFAOYSA-N -1 0 333.351 2.664 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000848580252 955751595 /nfs/dbraw/zinc/75/15/95/955751595.db2.gz ZUPZCKXTEQGCTF-GOEBONIOSA-N -1 0 347.415 2.524 20 30 EFEDRM C[C@](CNc1c(C#N)nnc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589071991 955779685 /nfs/dbraw/zinc/77/96/85/955779685.db2.gz BNTIVARVCVNGDK-LJQANCHMSA-N -1 0 332.363 2.956 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)CC(=O)[O-] ZINC000851648919 955791240 /nfs/dbraw/zinc/79/12/40/955791240.db2.gz DVKHEWVFZZWEKW-HNNXBMFYSA-N -1 0 347.415 2.525 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001594567159 955850440 /nfs/dbraw/zinc/85/04/40/955850440.db2.gz GMMQJUQFEYARKX-UHFFFAOYSA-N -1 0 332.385 2.601 20 30 EFEDRM C[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589084474 955892030 /nfs/dbraw/zinc/89/20/30/955892030.db2.gz CYZLQNFFFQZYCI-RNKHREBQSA-N -1 0 347.386 2.660 20 30 EFEDRM CO[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593920643 956073419 /nfs/dbraw/zinc/07/34/19/956073419.db2.gz NFLGNHMOMIEXKB-PXAZEXFGSA-N -1 0 338.363 2.502 20 30 EFEDRM N#C[C@H](C(=O)[C@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600716 956124806 /nfs/dbraw/zinc/12/48/06/956124806.db2.gz DQOQOGSJQAVHER-BXKDBHETSA-N -1 0 333.294 2.718 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC001594602352 956145775 /nfs/dbraw/zinc/14/57/75/956145775.db2.gz VKCYEPRSNXZBCS-ZDUSSCGKSA-N -1 0 335.319 2.516 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC001594605737 956170929 /nfs/dbraw/zinc/17/09/29/956170929.db2.gz HQHCFAZPBOPXML-IRXDYDNUSA-N -1 0 343.427 2.798 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001593931277 956184609 /nfs/dbraw/zinc/18/46/09/956184609.db2.gz ZUIVLGGGPJRJLH-LPHOPBHVSA-N -1 0 338.363 2.770 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001594610706 956205183 /nfs/dbraw/zinc/20/51/83/956205183.db2.gz BVMOGADBEDGCOF-QGZVFWFLSA-N -1 0 334.375 2.900 20 30 EFEDRM N#CCOc1cccc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC001594611462 956215578 /nfs/dbraw/zinc/21/55/78/956215578.db2.gz QVNVLTXXISVYDE-UHFFFAOYSA-N -1 0 335.319 2.928 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc1Cl ZINC001594616385 956239941 /nfs/dbraw/zinc/23/99/41/956239941.db2.gz RJOKKWVJICRMRD-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(-c2nnc(CNC3(C(=O)[O-])CCCCCC3)o2)cc1 ZINC001594617224 956248542 /nfs/dbraw/zinc/24/85/42/956248542.db2.gz GFIPUZZBSRRIKT-UHFFFAOYSA-N -1 0 340.383 2.875 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1Cl ZINC001594617857 956256413 /nfs/dbraw/zinc/25/64/13/956256413.db2.gz MUTSYLMRWVWTJE-UHFFFAOYSA-N -1 0 340.726 2.810 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594619545 956269743 /nfs/dbraw/zinc/26/97/43/956269743.db2.gz GRHUJDJNTOWFLS-AWEZNQCLSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cc1Cl ZINC001594620535 956277262 /nfs/dbraw/zinc/27/72/62/956277262.db2.gz KHFMPDXFZKPGDT-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC001594620994 956281566 /nfs/dbraw/zinc/28/15/66/956281566.db2.gz YJFKMQPNHYBEIE-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc21 ZINC000899319176 956289167 /nfs/dbraw/zinc/28/91/67/956289167.db2.gz ZBGVVRXIPSCLRG-WFASDCNBSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)cc21 ZINC000899319169 956290023 /nfs/dbraw/zinc/29/00/23/956290023.db2.gz ZBGVVRXIPSCLRG-DOMZBBRYSA-N -1 0 342.399 2.797 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001594622876 956293592 /nfs/dbraw/zinc/29/35/92/956293592.db2.gz NBBDKMAUGWYIQY-DLBZAZTESA-N -1 0 335.363 2.890 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(c2cc(C#N)c(Br)cn2)C1 ZINC000900986512 956301798 /nfs/dbraw/zinc/30/17/98/956301798.db2.gz DRQDSZPFDYIZEE-CQSZACIVSA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000900976236 956302035 /nfs/dbraw/zinc/30/20/35/956302035.db2.gz DCLZBGCUIKNYFD-KCJUWKMLSA-N -1 0 335.285 2.611 20 30 EFEDRM N#Cc1ccc(OC2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)cc1 ZINC001594624249 956303916 /nfs/dbraw/zinc/30/39/16/956303916.db2.gz VTCRMPWKBWKCLK-UHFFFAOYSA-N -1 0 342.395 2.573 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)cc1 ZINC001594624262 956304181 /nfs/dbraw/zinc/30/41/81/956304181.db2.gz WLDZWULFPUSARA-UHFFFAOYSA-N -1 0 337.335 2.552 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1Br ZINC001594624992 956305030 /nfs/dbraw/zinc/30/50/30/956305030.db2.gz AGLKSELHEIQLCG-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2)c1 ZINC001594625408 956309526 /nfs/dbraw/zinc/30/95/26/956309526.db2.gz GRWMRDCKSCEROI-CQSZACIVSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCCCC(=O)[O-] ZINC001594627333 956321977 /nfs/dbraw/zinc/32/19/77/956321977.db2.gz PHULAYBQTSQNCN-INIZCTEOSA-N -1 0 329.400 2.880 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCCCC(=O)[O-] ZINC001594627340 956323863 /nfs/dbraw/zinc/32/38/63/956323863.db2.gz PHULAYBQTSQNCN-MRXNPFEDSA-N -1 0 329.400 2.880 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c3ccccc31)C2 ZINC001594628660 956335359 /nfs/dbraw/zinc/33/53/59/956335359.db2.gz IZPMFKRYQPNEEI-AEFFLSMTSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594628942 956339004 /nfs/dbraw/zinc/33/90/04/956339004.db2.gz YBHZUOHBVSWQSU-CYBMUJFWSA-N -1 0 336.338 2.896 20 30 EFEDRM N#Cc1ccccc1NC1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001594632341 956353458 /nfs/dbraw/zinc/35/34/58/956353458.db2.gz WHCHVZFOSBPTEL-UHFFFAOYSA-N -1 0 341.411 2.606 20 30 EFEDRM N#Cc1cn(Cc2cccc(C(=O)[O-])c2)c2ccc([N+](=O)[O-])cc2c1=O ZINC001594633558 956358645 /nfs/dbraw/zinc/35/86/45/956358645.db2.gz VZVSLLPRGHXCFS-UHFFFAOYSA-N -1 0 349.302 2.528 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C\C(=O)c3cscn3)o2)CC1 ZINC001594675125 956652431 /nfs/dbraw/zinc/65/24/31/956652431.db2.gz PCECVFCCQOYYJD-IWQZZHSRSA-N -1 0 332.381 2.933 20 30 EFEDRM CN(CCC#N)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208731 957485553 /nfs/dbraw/zinc/48/55/53/957485553.db2.gz POKGDHXRRYBQSE-UHFFFAOYSA-N -1 0 326.150 2.525 20 30 EFEDRM C[C@@](CNC(=O)Nc1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001603183909 972285098 /nfs/dbraw/zinc/28/50/98/972285098.db2.gz YRZCSZRCHNVPLR-SFHVURJKSA-N -1 0 341.342 2.861 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC001588385296 957969874 /nfs/dbraw/zinc/96/98/74/957969874.db2.gz CPCDSAJRHUIYQA-SLBVQIDZSA-N -1 0 328.412 2.796 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC001588385293 957970258 /nfs/dbraw/zinc/97/02/58/957970258.db2.gz CPCDSAJRHUIYQA-ARLBYUKCSA-N -1 0 328.412 2.796 20 30 EFEDRM C#C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001588386418 957977860 /nfs/dbraw/zinc/97/78/60/957977860.db2.gz RGHCBGLXRVOXBL-HOTGVXAUSA-N -1 0 332.375 2.929 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001588395035 958036465 /nfs/dbraw/zinc/03/64/65/958036465.db2.gz BFENPQGEYZCSHR-IBGZPJMESA-N -1 0 329.396 2.806 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CSC1 ZINC001588396690 958051750 /nfs/dbraw/zinc/05/17/50/958051750.db2.gz XZLFOWCIXXJDOD-UHFFFAOYSA-N -1 0 342.779 2.760 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588398639 958067979 /nfs/dbraw/zinc/06/79/79/958067979.db2.gz AXKRNSBNQAUNIL-NSHDSACASA-N -1 0 327.302 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588399228 958071365 /nfs/dbraw/zinc/07/13/65/958071365.db2.gz HNHZATJRLUMVLU-RYUDHWBXSA-N -1 0 326.179 2.643 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC001588408637 958115317 /nfs/dbraw/zinc/11/53/17/958115317.db2.gz WEPTUGJRANXWGQ-AWEZNQCLSA-N -1 0 328.412 2.571 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC001588410483 958139472 /nfs/dbraw/zinc/13/94/72/958139472.db2.gz VVDPRFNHJVVFJD-HNNXBMFYSA-N -1 0 342.420 2.761 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1c(C)cc(Br)cc1Cl ZINC001588417187 958167582 /nfs/dbraw/zinc/16/75/82/958167582.db2.gz AVLORMQLEKLTQY-UHFFFAOYSA-N -1 0 344.592 2.571 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC001588417336 958171204 /nfs/dbraw/zinc/17/12/04/958171204.db2.gz IYZULIYMLJPQEV-OAHLLOKOSA-N -1 0 338.407 2.874 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC001588417565 958176479 /nfs/dbraw/zinc/17/64/79/958176479.db2.gz WITBICCYHWNJBL-NSHDSACASA-N -1 0 335.429 2.600 20 30 EFEDRM C[C@](NC(=O)C(=O)/C=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001603211438 972326487 /nfs/dbraw/zinc/32/64/87/972326487.db2.gz ZPZHOQGQGWCPKH-VSRDTVRMSA-N -1 0 341.338 2.524 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC001588418765 958185221 /nfs/dbraw/zinc/18/52/21/958185221.db2.gz RSPHQHFJGRMWJA-UHFFFAOYSA-N -1 0 328.393 2.587 20 30 EFEDRM COc1ccc(-c2nc(C)c(C(C)=NNCCC(=O)[O-])s2)cc1 ZINC001594072016 958189872 /nfs/dbraw/zinc/18/98/72/958189872.db2.gz FTBPMXQYVOSOSU-UHFFFAOYSA-N -1 0 333.413 2.915 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001588419220 958194331 /nfs/dbraw/zinc/19/43/31/958194331.db2.gz YEDKYTOITAKPPD-UHFFFAOYSA-N -1 0 344.754 2.687 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594074962 958208985 /nfs/dbraw/zinc/20/89/85/958208985.db2.gz GQSQROQZCUQTBE-LBPRGKRZSA-N -1 0 331.372 2.676 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594075063 958211021 /nfs/dbraw/zinc/21/10/21/958211021.db2.gz NDBNRMBKEKPMFV-OAHLLOKOSA-N -1 0 343.314 2.653 20 30 EFEDRM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603216039 972329903 /nfs/dbraw/zinc/32/99/03/972329903.db2.gz MXAYVEVNORHBIX-SYAUCNOPSA-N -1 0 328.412 2.935 20 30 EFEDRM COc1ccc([C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2CCC2)cc1 ZINC001594080898 958266549 /nfs/dbraw/zinc/26/65/49/958266549.db2.gz VCXFXOJIUIVWOR-WMZOPIPTSA-N -1 0 330.384 2.657 20 30 EFEDRM C#CCN(CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC001588432433 958283479 /nfs/dbraw/zinc/28/34/79/958283479.db2.gz SVDUCEVUKAPINK-UHFFFAOYSA-N -1 0 332.403 2.906 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001588433872 958301253 /nfs/dbraw/zinc/30/12/53/958301253.db2.gz XBYYGKFFTPVHJG-UHFFFAOYSA-N -1 0 346.346 2.529 20 30 EFEDRM C#Cc1ccc(NC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c(Cl)c1 ZINC001588438853 958307013 /nfs/dbraw/zinc/30/70/13/958307013.db2.gz FHOXHKXVFMAYJC-HNNXBMFYSA-N -1 0 343.770 2.534 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001588439539 958319744 /nfs/dbraw/zinc/31/97/44/958319744.db2.gz CTEABYXVEAPOBW-INIZCTEOSA-N -1 0 335.400 2.568 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001588439543 958320245 /nfs/dbraw/zinc/32/02/45/958320245.db2.gz CTEABYXVEAPOBW-MRXNPFEDSA-N -1 0 335.400 2.568 20 30 EFEDRM C[C@@H](NC(=O)/C=C/c1ccccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219263 972337539 /nfs/dbraw/zinc/33/75/39/972337539.db2.gz SPELCQFDXUFDJX-JQZDDNCMSA-N -1 0 326.396 2.823 20 30 EFEDRM C[C@H](NC(=O)/C=C\c1ccccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219265 972337602 /nfs/dbraw/zinc/33/76/02/972337602.db2.gz SPELCQFDXUFDJX-YDSGTJQWSA-N -1 0 326.396 2.823 20 30 EFEDRM C=C(CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588445951 958378496 /nfs/dbraw/zinc/37/84/96/958378496.db2.gz WWSNORDDNQYBNA-GOSISDBHSA-N -1 0 349.390 2.536 20 30 EFEDRM Cc1ccc(C2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCC2)cc1C ZINC001594353491 958385484 /nfs/dbraw/zinc/38/54/84/958385484.db2.gz PYSBQYGHVUBTAP-SFHVURJKSA-N -1 0 328.412 2.846 20 30 EFEDRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001603227335 972345261 /nfs/dbraw/zinc/34/52/61/972345261.db2.gz LDODXFCJXPXWBZ-DZGCQCFKSA-N -1 0 329.400 2.906 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588457134 958444644 /nfs/dbraw/zinc/44/46/44/958444644.db2.gz MBRCFVODELZNMA-OLZOCXBDSA-N -1 0 345.317 2.929 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588457135 958444924 /nfs/dbraw/zinc/44/49/24/958444924.db2.gz MBRCFVODELZNMA-QWHCGFSZSA-N -1 0 345.317 2.929 20 30 EFEDRM C=CCC[C@@H](C(=O)N1CC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC001588457191 958446507 /nfs/dbraw/zinc/44/65/07/958446507.db2.gz OVHRBUDRSYRORO-VQIMIIECSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001588457314 958448078 /nfs/dbraw/zinc/44/80/78/958448078.db2.gz UJUJMLYULMPZHN-CABCVRRESA-N -1 0 331.368 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1 ZINC001573317434 958449910 /nfs/dbraw/zinc/44/99/10/958449910.db2.gz APXBYAUWAAQXOQ-PKNBQFBNSA-N -1 0 341.285 2.535 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC001573317614 958452278 /nfs/dbraw/zinc/45/22/78/958452278.db2.gz DSHBNYMYMJYZII-UHFFFAOYSA-N -1 0 345.439 2.998 20 30 EFEDRM C=CCCCCCN(C)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588458425 958462521 /nfs/dbraw/zinc/46/25/21/958462521.db2.gz OFURAZYWWODBMU-SWKXRBFHSA-N -1 0 338.448 2.787 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001573318689 958467757 /nfs/dbraw/zinc/46/77/57/958467757.db2.gz ZEPNDZWRTVZGQI-UHFFFAOYSA-N -1 0 348.811 2.552 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001588460397 958474362 /nfs/dbraw/zinc/47/43/62/958474362.db2.gz DJRRRSDCKVGPIX-ZFWWWQNUSA-N -1 0 337.441 2.679 20 30 EFEDRM C#CCOCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001573327147 958486378 /nfs/dbraw/zinc/48/63/78/958486378.db2.gz GIGKXJISSYJHNM-LLVKDONJSA-N -1 0 335.425 2.940 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588464244 958489859 /nfs/dbraw/zinc/48/98/59/958489859.db2.gz JSZXFABHCGWZHU-UHFFFAOYSA-N -1 0 348.428 2.984 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573328049 958495210 /nfs/dbraw/zinc/49/52/10/958495210.db2.gz ZQBOMLBEIOJNKE-RYUDHWBXSA-N -1 0 334.347 2.555 20 30 EFEDRM C=CCCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001573328985 958504395 /nfs/dbraw/zinc/50/43/95/958504395.db2.gz UDGVSBIABFWXHB-UWVGGRQHSA-N -1 0 339.413 3.000 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588465672 958506584 /nfs/dbraw/zinc/50/65/84/958506584.db2.gz WXJVWJGDUQPJQJ-CSKARUKUSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588465673 958507033 /nfs/dbraw/zinc/50/70/33/958507033.db2.gz WXJVWJGDUQPJQJ-NTMALXAHSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573336546 958517787 /nfs/dbraw/zinc/51/77/87/958517787.db2.gz CJYJMBPWNVWVCG-FQEVSTJZSA-N -1 0 339.391 2.910 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573336549 958517883 /nfs/dbraw/zinc/51/78/83/958517883.db2.gz CJYJMBPWNVWVCG-HXUWFJFHSA-N -1 0 339.391 2.910 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)cc21 ZINC001573336624 958520044 /nfs/dbraw/zinc/52/00/44/958520044.db2.gz FEHMQWMSCPPKIR-TZMCWYRMSA-N -1 0 342.399 2.939 20 30 EFEDRM C=CCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001573336996 958520574 /nfs/dbraw/zinc/52/05/74/958520574.db2.gz INVGVGJXZZOVDC-DTWKUNHWSA-N -1 0 325.386 2.610 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588470129 958523462 /nfs/dbraw/zinc/52/34/62/958523462.db2.gz FJAKXKIXKXCHRD-DZGCQCFKSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573337854 958525040 /nfs/dbraw/zinc/52/50/40/958525040.db2.gz VZYUTMNKUFWRDR-UHFFFAOYSA-N -1 0 338.363 2.938 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2cc(C(=O)[O-])ccn2)c(OC)c1 ZINC001588470272 958525299 /nfs/dbraw/zinc/52/52/99/958525299.db2.gz IITVATBQLUBKAH-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588470987 958533824 /nfs/dbraw/zinc/53/38/24/958533824.db2.gz YUZZQIDYIPIQSH-ZDUSSCGKSA-N -1 0 330.388 2.805 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594114139 958543745 /nfs/dbraw/zinc/54/37/45/958543745.db2.gz SKMGLIMJZNSZQE-LIRRHRJNSA-N -1 0 344.411 2.861 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001588473031 958549682 /nfs/dbraw/zinc/54/96/82/958549682.db2.gz WHRJBVWYJOMLBW-AVGNSLFASA-N -1 0 336.461 2.579 20 30 EFEDRM Cc1cccc(-c2nnc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o2)c1 ZINC001594386068 958669973 /nfs/dbraw/zinc/66/99/73/958669973.db2.gz PYRLEARIZGDKMF-PIGZYNQJSA-N -1 0 343.339 2.654 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001594390442 958708038 /nfs/dbraw/zinc/70/80/38/958708038.db2.gz QPNGCBJKAZYREA-SUMWQHHRSA-N -1 0 338.363 2.576 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC001594146459 958769784 /nfs/dbraw/zinc/76/97/84/958769784.db2.gz QWOCPUGAPANOKU-RYUDHWBXSA-N -1 0 336.413 2.537 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594405863 958906540 /nfs/dbraw/zinc/90/65/40/958906540.db2.gz XXGFSKPOLDUVKY-MRXNPFEDSA-N -1 0 336.347 2.963 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC001588533945 958914589 /nfs/dbraw/zinc/91/45/89/958914589.db2.gz BRMKDSLGEJOVGI-MAUKXSAKSA-N -1 0 326.396 2.787 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001588539091 958951171 /nfs/dbraw/zinc/95/11/71/958951171.db2.gz WYQRRFSIUQCNLG-HNNXBMFYSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001588540044 958957044 /nfs/dbraw/zinc/95/70/44/958957044.db2.gz NLHDHZWBJLZXFY-HNNXBMFYSA-N -1 0 347.421 2.913 20 30 EFEDRM CSc1nc(C2CC2)cc(-c2nc([C@H](C)C(=O)[O-])no2)c1C#N ZINC001594196766 959200857 /nfs/dbraw/zinc/20/08/57/959200857.db2.gz BQYWKQUEUQAEAZ-ZETCQYMHSA-N -1 0 330.369 2.791 20 30 EFEDRM C[C@H](C(=O)[O-])c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC001588600989 959423285 /nfs/dbraw/zinc/42/32/85/959423285.db2.gz BSTWJDUYGLBLPN-JTQLQIEISA-N -1 0 344.346 2.652 20 30 EFEDRM C[C@@](CNc1nc2ncccc2cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573602478 959452596 /nfs/dbraw/zinc/45/25/96/959452596.db2.gz WIKYFNSSMHBOGY-IBGZPJMESA-N -1 0 332.363 2.956 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001588607877 959497261 /nfs/dbraw/zinc/49/72/61/959497261.db2.gz WXPWCYVFAFZITK-LBPRGKRZSA-N -1 0 332.375 2.688 20 30 EFEDRM C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622455 959520832 /nfs/dbraw/zinc/52/08/32/959520832.db2.gz KYUMSCRXJASYLP-DDTOSNHZSA-N -1 0 339.395 2.905 20 30 EFEDRM Cc1c(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)ccc(Br)c1C#N ZINC001594267475 959750848 /nfs/dbraw/zinc/75/08/48/959750848.db2.gz YAGGUQSJJLPHJX-UOWDBTKRSA-N -1 0 337.173 2.679 20 30 EFEDRM C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC001573738890 960474263 /nfs/dbraw/zinc/47/42/63/960474263.db2.gz LJWJUIIEOOMIFS-RHSMWYFYSA-N -1 0 344.411 2.677 20 30 EFEDRM CCC(CC)(CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)[O-] ZINC001573783722 960721518 /nfs/dbraw/zinc/72/15/18/960721518.db2.gz VZNMAPXAZVMWGN-UHFFFAOYSA-N -1 0 332.375 2.736 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(C)C(C)(C)CC(=O)[O-])c(OC)c1 ZINC001261762922 960758943 /nfs/dbraw/zinc/75/89/43/960758943.db2.gz KVVJAGZCAMJYFX-UHFFFAOYSA-N -1 0 335.400 2.514 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC001573821637 960962579 /nfs/dbraw/zinc/96/25/79/960962579.db2.gz VLIXTOCWQLEUIB-GOSISDBHSA-N -1 0 325.368 2.757 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001573919463 961518924 /nfs/dbraw/zinc/51/89/24/961518924.db2.gz AQXCQCQRMUHVQK-UONOGXRCSA-N -1 0 330.384 2.833 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574474945 961643349 /nfs/dbraw/zinc/64/33/49/961643349.db2.gz SIDMIVUTEMTPGJ-VQIMIIECSA-N -1 0 348.402 2.970 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)ccc12 ZINC001574479145 961647399 /nfs/dbraw/zinc/64/73/99/961647399.db2.gz FCOYQXQPTAZGEL-LBPRGKRZSA-N -1 0 325.368 2.757 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001574480386 961662486 /nfs/dbraw/zinc/66/24/86/961662486.db2.gz IXBUYXIXKOWYAF-UHFFFAOYSA-N -1 0 348.424 2.906 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)Cc1ccccc1C(=O)[O-])CCCC2 ZINC001574485023 961674121 /nfs/dbraw/zinc/67/41/21/961674121.db2.gz AAYJPXOJIQRYMD-UHFFFAOYSA-N -1 0 335.363 2.711 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001574485657 961677930 /nfs/dbraw/zinc/67/79/30/961677930.db2.gz JPRNKDDPZLRKII-ROUUACIJSA-N -1 0 349.390 2.713 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)ccn1 ZINC001574485863 961679934 /nfs/dbraw/zinc/67/99/34/961679934.db2.gz LJXBYMWCQQCVIY-JKSUJKDBSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001574488659 961699326 /nfs/dbraw/zinc/69/93/26/961699326.db2.gz DLTIMVOGUAXXHA-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001574489050 961700910 /nfs/dbraw/zinc/70/09/10/961700910.db2.gz GFCYQXRNJGWVNP-HNNXBMFYSA-N -1 0 336.351 2.851 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001574489163 961702337 /nfs/dbraw/zinc/70/23/37/961702337.db2.gz ZVFVUKPADAHGDL-CABCVRRESA-N -1 0 341.392 2.732 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574489836 961708218 /nfs/dbraw/zinc/70/82/18/961708218.db2.gz QZXDEGXRDKUMEP-IRXDYDNUSA-N -1 0 326.396 2.943 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851393 961927952 /nfs/dbraw/zinc/92/79/52/961927952.db2.gz CTJOVUSXJMBMSZ-GOEBONIOSA-N -1 0 329.400 2.592 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588851962 961936638 /nfs/dbraw/zinc/93/66/38/961936638.db2.gz JCXGFIXGLOUSKH-INIZCTEOSA-N -1 0 345.443 2.925 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001571174318 962085262 /nfs/dbraw/zinc/08/52/62/962085262.db2.gz QJYWRDHNOPHZJQ-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1ccc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c(C2CC2)c1 ZINC001571182407 962175546 /nfs/dbraw/zinc/17/55/46/962175546.db2.gz XYISEGGYMQGYAD-UONOGXRCSA-N -1 0 328.368 2.644 20 30 EFEDRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)CC(=O)[O-] ZINC001588894196 962221932 /nfs/dbraw/zinc/22/19/32/962221932.db2.gz AILGNGFNBORAJL-BHYGNILZSA-N -1 0 328.412 2.915 20 30 EFEDRM CC(C)C[C@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(=O)[O-] ZINC001588901950 962259554 /nfs/dbraw/zinc/25/95/54/962259554.db2.gz XYYBDJWGBPQZOE-AWEZNQCLSA-N -1 0 333.388 2.966 20 30 EFEDRM CSc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC001571204468 962403990 /nfs/dbraw/zinc/40/39/90/962403990.db2.gz OGKVOYVMLAUELA-UONOGXRCSA-N -1 0 332.425 2.787 20 30 EFEDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC001574104519 962423682 /nfs/dbraw/zinc/42/36/82/962423682.db2.gz HWHYIMDTRPHUBP-INIZCTEOSA-N -1 0 340.335 2.697 20 30 EFEDRM CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001588946421 962556769 /nfs/dbraw/zinc/55/67/69/962556769.db2.gz GAQZJCXHLXGMHQ-LLVKDONJSA-N -1 0 345.277 2.688 20 30 EFEDRM C#CCCOC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001573301444 962626867 /nfs/dbraw/zinc/62/68/67/962626867.db2.gz BWVACDFJPXDHSM-SNVBAGLBSA-N -1 0 346.202 2.728 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001573303076 962670123 /nfs/dbraw/zinc/67/01/23/962670123.db2.gz UTZYGSKXCQZPOG-JOYOIKCWSA-N -1 0 347.371 2.715 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001573311788 962713252 /nfs/dbraw/zinc/71/32/52/962713252.db2.gz GVGIDTBVYOQFSM-OAHLLOKOSA-N -1 0 348.402 2.717 20 30 EFEDRM C#CCOc1cccc(OC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573312224 962719319 /nfs/dbraw/zinc/71/93/19/962719319.db2.gz OMCUYTUGMAPTBT-PXNSSMCTSA-N -1 0 336.343 2.863 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC001573319991 962748597 /nfs/dbraw/zinc/74/85/97/962748597.db2.gz BZCAPUCRVYXSGF-LLVKDONJSA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc2cc(C)ccc2c1)C(=O)[O-] ZINC001573323601 962774964 /nfs/dbraw/zinc/77/49/64/962774964.db2.gz DDSLCNJXSARAOV-MRXNPFEDSA-N -1 0 333.409 2.846 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001573324454 962785702 /nfs/dbraw/zinc/78/57/02/962785702.db2.gz UFMVNBZZTNSSPO-AWEZNQCLSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001573324797 962790155 /nfs/dbraw/zinc/79/01/55/962790155.db2.gz YNQKZVLDCLDYHZ-HNNXBMFYSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1csc(Br)c1 ZINC001573324997 962792931 /nfs/dbraw/zinc/79/29/31/962792931.db2.gz ANXSZVOIYGCUCW-UHFFFAOYSA-N -1 0 332.219 2.890 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1)c1ccccc1 ZINC001517434827 962797043 /nfs/dbraw/zinc/79/70/43/962797043.db2.gz UMNPWLHZHGSSAT-OKZBNKHCSA-N -1 0 345.439 2.980 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC001573331960 962820641 /nfs/dbraw/zinc/82/06/41/962820641.db2.gz BLYZATOZVLUTHU-QGZVFWFLSA-N -1 0 329.352 2.915 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCC)c1OC(F)F ZINC001573336938 962861753 /nfs/dbraw/zinc/86/17/53/962861753.db2.gz INCSGIRABDGLRV-UHFFFAOYSA-N -1 0 343.326 2.724 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001573337549 962865785 /nfs/dbraw/zinc/86/57/85/962865785.db2.gz QZXMDLKIROVMRO-OLZOCXBDSA-N -1 0 343.408 2.784 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(cccc2Br)[nH]1 ZINC001573339133 962887403 /nfs/dbraw/zinc/88/74/03/962887403.db2.gz PCAZKNQTEVIOQE-UHFFFAOYSA-N -1 0 338.161 2.685 20 30 EFEDRM C=C(Cn1c(C)nnc1N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001573343618 962906303 /nfs/dbraw/zinc/90/63/03/962906303.db2.gz HYGKMRVSQSKTLV-UHFFFAOYSA-N -1 0 326.400 2.601 20 30 EFEDRM C=C(Cn1c(C)nnc1N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001573343944 962911319 /nfs/dbraw/zinc/91/13/19/962911319.db2.gz MPJMYINSVUVLEH-MRXNPFEDSA-N -1 0 326.400 2.601 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)CC1 ZINC001573344421 962918092 /nfs/dbraw/zinc/91/80/92/962918092.db2.gz XJUQHYJRGPNLAM-UHFFFAOYSA-N -1 0 341.404 2.857 20 30 EFEDRM COc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C#N ZINC001574217304 962944203 /nfs/dbraw/zinc/94/42/03/962944203.db2.gz NPBPLLFYWJFIIZ-LBPRGKRZSA-N -1 0 331.372 2.676 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001573348133 962955431 /nfs/dbraw/zinc/95/54/31/962955431.db2.gz STPJENUFZYERJU-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC001573350031 962961847 /nfs/dbraw/zinc/96/18/47/962961847.db2.gz ABDOQCZDRDFCNA-KGLIPLIRSA-N -1 0 340.217 2.852 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC001573350032 962962230 /nfs/dbraw/zinc/96/22/30/962962230.db2.gz ABDOQCZDRDFCNA-UONOGXRCSA-N -1 0 340.217 2.852 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(OC)cc2C(=O)[O-])CCCC1 ZINC001573353007 962996544 /nfs/dbraw/zinc/99/65/44/962996544.db2.gz NTQQJBMKHLAELH-UHFFFAOYSA-N -1 0 339.413 2.561 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001573353481 963002672 /nfs/dbraw/zinc/00/26/72/963002672.db2.gz WTRBFRMKFXMQSF-ABAIWWIYSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001573353482 963002747 /nfs/dbraw/zinc/00/27/47/963002747.db2.gz WTRBFRMKFXMQSF-IAQYHMDHSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573357655 963019145 /nfs/dbraw/zinc/01/91/45/963019145.db2.gz QGQDZZSBOLYPHS-QMTHXVAHSA-N -1 0 327.327 2.658 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573357790 963021895 /nfs/dbraw/zinc/02/18/95/963021895.db2.gz SNILUTPOSLZCMZ-LLVKDONJSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC001573365968 963056440 /nfs/dbraw/zinc/05/64/40/963056440.db2.gz JDSUUNMUKBOIMQ-ZDUSSCGKSA-N -1 0 349.811 2.708 20 30 EFEDRM C=C(Br)CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000302464656 963088064 /nfs/dbraw/zinc/08/80/64/963088064.db2.gz YXUUEKLSJTVOSS-UHFFFAOYSA-N -1 0 335.104 2.693 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001573369365 963095791 /nfs/dbraw/zinc/09/57/91/963095791.db2.gz YOOYVUJXKCNVCT-UHFFFAOYSA-N -1 0 343.408 2.638 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573379796 963111241 /nfs/dbraw/zinc/11/12/41/963111241.db2.gz XBQXRGWRFHAFDZ-FRRDWIJNSA-N -1 0 343.301 2.538 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000314259352 963733007 /nfs/dbraw/zinc/73/30/07/963733007.db2.gz HIOVCSZSQRMOAQ-UHFFFAOYSA-N -1 0 333.394 2.638 20 30 EFEDRM C#CCCCC(=O)OCc1ccc(C(=O)[O-])cc1Br ZINC001588439499 964029530 /nfs/dbraw/zinc/02/95/30/964029530.db2.gz AVDMOOUHAGVPJG-UHFFFAOYSA-N -1 0 325.158 2.994 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588441417 964050798 /nfs/dbraw/zinc/05/07/98/964050798.db2.gz CAADQNFSVZMQRD-UHFFFAOYSA-N -1 0 341.415 2.526 20 30 EFEDRM C#CCCCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588446732 964077218 /nfs/dbraw/zinc/07/72/18/964077218.db2.gz XPUPXTAEWKVFRD-GFCCVEGCSA-N -1 0 328.290 2.701 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001588447019 964081829 /nfs/dbraw/zinc/08/18/29/964081829.db2.gz QFUKBRJAVSVMEZ-GOSISDBHSA-N -1 0 330.432 2.501 20 30 EFEDRM C#CCCN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588447271 964084801 /nfs/dbraw/zinc/08/48/01/964084801.db2.gz FTMXCYVCUONMFT-CYBMUJFWSA-N -1 0 326.190 2.539 20 30 EFEDRM C#CCCN(CCOC)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588448216 964094545 /nfs/dbraw/zinc/09/45/45/964094545.db2.gz YLTQPUYFAFOZOS-UHFFFAOYSA-N -1 0 336.413 2.610 20 30 EFEDRM N#Cc1cc(F)c(N(CC(=O)[O-])CC2CC2)cc1Br ZINC000311357194 967948305 /nfs/dbraw/zinc/94/83/05/967948305.db2.gz PPHKJCDQZFASLH-UHFFFAOYSA-N -1 0 327.153 2.761 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000840990270 969215889 /nfs/dbraw/zinc/21/58/89/969215889.db2.gz DPKUJUWOKWRKRA-SJORKVTESA-N -1 0 328.412 2.517 20 30 EFEDRM C[C@@H]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@H]1C(=O)[O-] ZINC000886909590 969407940 /nfs/dbraw/zinc/40/79/40/969407940.db2.gz CDWYNXXEBGMBMK-IUODEOHRSA-N -1 0 338.367 2.688 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000887330113 969410581 /nfs/dbraw/zinc/41/05/81/969410581.db2.gz YAOLTAFCFQJWBV-UHFFFAOYSA-N -1 0 337.441 2.681 20 30 EFEDRM CSc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000898869614 969417154 /nfs/dbraw/zinc/41/71/54/969417154.db2.gz IYRSHELANYLIFN-FZMZJTMJSA-N -1 0 347.440 2.532 20 30 EFEDRM CSc1ccc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000898871486 969417160 /nfs/dbraw/zinc/41/71/60/969417160.db2.gz MOGVXHLDQMTPBF-FZMZJTMJSA-N -1 0 347.440 2.532 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024582 969508775 /nfs/dbraw/zinc/50/87/75/969508775.db2.gz BBWOOXQYBQITPD-XOKHGSTOSA-N -1 0 342.439 2.969 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C2 ZINC000902546909 969551642 /nfs/dbraw/zinc/55/16/42/969551642.db2.gz ZFKCSUSAWQVKFC-INIZCTEOSA-N -1 0 326.396 2.567 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001609691230 970446804 /nfs/dbraw/zinc/44/68/04/970446804.db2.gz FSTJRFQKSSGXTF-RCJHGTSTSA-N -1 0 326.396 2.928 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001604143205 972549866 /nfs/dbraw/zinc/54/98/66/972549866.db2.gz YBBZHJFFCQFRDW-UHFFFAOYSA-N -1 0 340.339 2.684 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001605101765 972752384 /nfs/dbraw/zinc/75/23/84/972752384.db2.gz BJVHXHVGGHDCQH-KRWDZBQOSA-N -1 0 348.362 2.525 20 30 EFEDRM Cc1cc(Br)c(F)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605104404 972767905 /nfs/dbraw/zinc/76/79/05/972767905.db2.gz ZTSORUCQTQBPBM-CYBMUJFWSA-N -1 0 343.152 2.840 20 30 EFEDRM CC1=Nc2ccccc2C12CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2 ZINC001603351699 972770261 /nfs/dbraw/zinc/77/02/61/972770261.db2.gz BGYYBRISLCUSKR-SFHVURJKSA-N -1 0 339.395 2.657 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc(F)c1Br ZINC001605192199 972910619 /nfs/dbraw/zinc/91/06/19/972910619.db2.gz JRBSOUMGDOFTNY-CYBMUJFWSA-N -1 0 343.152 2.840 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001605244319 973006739 /nfs/dbraw/zinc/00/67/39/973006739.db2.gz CDKGSWLWBSOADF-CTDFXDFQSA-N -1 0 349.386 2.945 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001605244967 973008541 /nfs/dbraw/zinc/00/85/41/973008541.db2.gz RZWNOADGIMZWCT-HVHJFMEUSA-N -1 0 331.412 2.987 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000398071808 973063091 /nfs/dbraw/zinc/06/30/91/973063091.db2.gz MOWZDPJHIWPKCT-JTQLQIEISA-N -1 0 329.393 2.855 20 30 EFEDRM Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001605273596 973063517 /nfs/dbraw/zinc/06/35/17/973063517.db2.gz MVDFJTYRDIJVBD-QZTJIDSGSA-N -1 0 349.390 2.979 20 30 EFEDRM Cc1cccc([C@H](NC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])c1 ZINC001605327697 973171595 /nfs/dbraw/zinc/17/15/95/973171595.db2.gz FYXDDFLSOMTRIV-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC001603438591 973206743 /nfs/dbraw/zinc/20/67/43/973206743.db2.gz CIFWNGYTGKSLCQ-ABAIWWIYSA-N -1 0 332.375 2.544 20 30 EFEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)CCCC(=O)[O-])c1C ZINC001605428619 973463944 /nfs/dbraw/zinc/46/39/44/973463944.db2.gz GQTJWJSFMCJTSI-UHFFFAOYSA-N -1 0 326.356 2.554 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001605454598 973537812 /nfs/dbraw/zinc/53/78/12/973537812.db2.gz GBXHGBOMWSPZOB-UHFFFAOYSA-N -1 0 341.367 2.577 20 30 EFEDRM COCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC001604580980 973672118 /nfs/dbraw/zinc/67/21/18/973672118.db2.gz ZZTWSRVQVRHYLT-CLFYSBASSA-N -1 0 340.335 2.542 20 30 EFEDRM N#C[C@H](C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001605577070 973853919 /nfs/dbraw/zinc/85/39/19/973853919.db2.gz WLELDZVNENYSFU-OPRDCNLKSA-N -1 0 333.294 2.718 20 30 EFEDRM N#CCCCn1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])c2ccccc21 ZINC001605581753 973861543 /nfs/dbraw/zinc/86/15/43/973861543.db2.gz LEUOLOHGCGWHLP-UHFFFAOYSA-N -1 0 337.339 2.619 20 30 EFEDRM N#CC1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCCC1 ZINC001605583542 973872963 /nfs/dbraw/zinc/87/29/63/973872963.db2.gz VJCYHMBAGWXSGL-AWEZNQCLSA-N -1 0 331.416 2.754 20 30 EFEDRM N#CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001605583687 973875058 /nfs/dbraw/zinc/87/50/58/973875058.db2.gz ZFDNIOZRQRLIED-CABCVRRESA-N -1 0 327.384 2.683 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001605585488 973876216 /nfs/dbraw/zinc/87/62/16/973876216.db2.gz CQFWVIZWUVIIBR-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605586021 973878777 /nfs/dbraw/zinc/87/87/77/973878777.db2.gz NYCHEEXHPYCHOK-RQOWECAXSA-N -1 0 330.271 2.671 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC3(CC(=O)[O-])CCC3)CCCC2)cc1 ZINC001605601790 973907442 /nfs/dbraw/zinc/90/74/42/973907442.db2.gz CUHMDGSQCLCGKL-UHFFFAOYSA-N -1 0 326.396 2.884 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])on2)c1 ZINC001605612060 973924467 /nfs/dbraw/zinc/92/44/67/973924467.db2.gz JCZORPJJQNMUDI-AWEZNQCLSA-N -1 0 339.351 2.683 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C3CC3)n2)c1 ZINC001605617414 973932464 /nfs/dbraw/zinc/93/24/64/973932464.db2.gz BCSGAQRGOMPULH-CYBMUJFWSA-N -1 0 327.365 2.731 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001604023873 974536717 /nfs/dbraw/zinc/53/67/17/974536717.db2.gz BDPRBPNFPTYRKS-DOXZYTNZSA-N -1 0 344.411 2.695 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001604023876 974537837 /nfs/dbraw/zinc/53/78/37/974537837.db2.gz BDPRBPNFPTYRKS-VCBZYWHSSA-N -1 0 344.411 2.695 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC001604025352 974550097 /nfs/dbraw/zinc/55/00/97/974550097.db2.gz SJNRDMRCGGXYPW-CQSZACIVSA-N -1 0 337.788 2.917 20 30 EFEDRM CC(C)NC(=S)NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001591660546 975393174 /nfs/dbraw/zinc/39/31/74/975393174.db2.gz BKTKCEIVZNZVTB-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2cc(C#N)ccn2)cccc1C(=O)[O-] ZINC001591746622 975785948 /nfs/dbraw/zinc/78/59/48/975785948.db2.gz OJLHIIRADRNSNJ-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)c1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])no2)cc1 ZINC001591967991 976563879 /nfs/dbraw/zinc/56/38/79/976563879.db2.gz HNQKCXHJWVPPES-UHFFFAOYSA-N -1 0 332.385 2.817 20 30 EFEDRM CC(C)c1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)c(C(=O)[O-])c1 ZINC001591967541 976564757 /nfs/dbraw/zinc/56/47/57/976564757.db2.gz FMMSYSONLAIPOE-GOSISDBHSA-N -1 0 331.416 2.975 20 30 EFEDRM CC(C)c1csc(C(C#N)C(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001592007986 976670776 /nfs/dbraw/zinc/67/07/76/976670776.db2.gz ACOHEFAEOMRIIB-LLVKDONJSA-N -1 0 346.412 2.818 20 30 EFEDRM CC(C)n1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1Cl ZINC001592153957 977031093 /nfs/dbraw/zinc/03/10/93/977031093.db2.gz ZXGUQANJUNRNIL-ZDUSSCGKSA-N -1 0 347.758 2.972 20 30 EFEDRM C[C@H](CC#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Br ZINC001592222298 977406233 /nfs/dbraw/zinc/40/62/33/977406233.db2.gz UKVGGFXPWWAKBI-LDYMZIIASA-N -1 0 326.146 2.668 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001592226473 977419616 /nfs/dbraw/zinc/41/96/16/977419616.db2.gz ZAYNSGDXYQPAAF-TZMCWYRMSA-N -1 0 347.440 2.568 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(CC#N)cc1)c1cccnc1 ZINC001592296674 977629484 /nfs/dbraw/zinc/62/94/84/977629484.db2.gz FXMXBKLXNPMLGW-GOSISDBHSA-N -1 0 338.367 2.659 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1cccnc1 ZINC001592309147 977677888 /nfs/dbraw/zinc/67/78/88/977677888.db2.gz PLGXVAUYMCAXRC-IBGZPJMESA-N -1 0 348.362 2.554 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001592391936 977940604 /nfs/dbraw/zinc/94/06/04/977940604.db2.gz TTXGHPZHZBPQOQ-SSDOTTSWSA-N -1 0 325.708 2.559 20 30 EFEDRM C[C@@H](CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001592513744 978349558 /nfs/dbraw/zinc/34/95/58/978349558.db2.gz SNXSJWFERGDWKR-AWEZNQCLSA-N -1 0 329.400 2.580 20 30 EFEDRM Cc1csc(NC(=O)Cc2ccc(OCC#N)cc2)c1C(=O)[O-] ZINC000738334765 978520279 /nfs/dbraw/zinc/52/02/79/978520279.db2.gz NPSJLGOFPMGJOL-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM N#Cc1ccc(SCC(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000738434345 978538080 /nfs/dbraw/zinc/53/80/80/978538080.db2.gz BFEZCPHWYNCHHA-INIZCTEOSA-N -1 0 341.388 2.889 20 30 EFEDRM O=C([O-])CCCOc1ccc(C/N=C/c2cccc(O)c2O)cc1 ZINC000739680728 978648672 /nfs/dbraw/zinc/64/86/72/978648672.db2.gz FTZQSWSXJGMTLU-XDHOZWIPSA-N -1 0 329.352 2.961 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000781957931 978791194 /nfs/dbraw/zinc/79/11/94/978791194.db2.gz KEQWTVZTZHXYSJ-LBPRGKRZSA-N -1 0 327.377 2.562 20 30 EFEDRM CC1(C)CCC[C@@H]1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000782285102 978792749 /nfs/dbraw/zinc/79/27/49/978792749.db2.gz AQKMKVTYDDCHDX-AWEZNQCLSA-N -1 0 335.360 2.560 20 30 EFEDRM O=C([O-])COc1ccc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000794716661 978818401 /nfs/dbraw/zinc/81/84/01/978818401.db2.gz URRGURLTHAGQAY-BAQGIRSFSA-N -1 0 339.303 2.893 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1O ZINC000811696165 978855128 /nfs/dbraw/zinc/85/51/28/978855128.db2.gz AWNRQFYMVWMDAK-YWEYNIOJSA-N -1 0 328.320 2.760 20 30 EFEDRM C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1CC(=O)[O-] ZINC000814684833 978871532 /nfs/dbraw/zinc/87/15/32/978871532.db2.gz INCSJOMXGADHPW-RKDXNWHRSA-N -1 0 336.304 2.792 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814715623 978876213 /nfs/dbraw/zinc/87/62/13/978876213.db2.gz DUXKFLOJRIMHJL-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814721453 978876966 /nfs/dbraw/zinc/87/69/66/978876966.db2.gz FEGMKOJWVSDBQJ-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM O=C([O-])c1cccc(C=NNC(=S)NCc2ccc(F)cc2)c1 ZINC000814785947 978884670 /nfs/dbraw/zinc/88/46/70/978884670.db2.gz OKQUIEJCPKPVLT-UHFFFAOYSA-N -1 0 331.372 2.522 20 30 EFEDRM C[C@H]1C(N=Nc2nnc(-c3ccccc3)n2C)CC[C@@H]1CC(=O)[O-] ZINC000814805364 978886707 /nfs/dbraw/zinc/88/67/07/978886707.db2.gz CHYCBFAMAKCTJG-DGCLKSJQSA-N -1 0 327.388 2.771 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2cccc(C(=O)[O-])c2)cc1F ZINC000814831552 978889857 /nfs/dbraw/zinc/88/98/57/978889857.db2.gz HANHQFKTNWGOFX-UHFFFAOYSA-N -1 0 347.371 2.853 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000820352677 978925656 /nfs/dbraw/zinc/92/56/56/978925656.db2.gz BBWSGAZESKDEQA-AGIUHOORSA-N -1 0 326.179 2.690 20 30 EFEDRM CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819300 979022084 /nfs/dbraw/zinc/02/20/84/979022084.db2.gz BJDZCMDDLMCGQO-UHFFFAOYSA-N -1 0 348.362 2.938 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000833071894 979077546 /nfs/dbraw/zinc/07/75/46/979077546.db2.gz MPQOCQXHBBUTSF-CQSZACIVSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000833077680 979078085 /nfs/dbraw/zinc/07/80/85/979078085.db2.gz YXFAJYWTZMXZOK-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM CC[C@@H](C)n1nccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595029779 979160590 /nfs/dbraw/zinc/16/05/90/979160590.db2.gz GDCVCWJRSLOTQX-ABAIWWIYSA-N -1 0 327.340 2.708 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001595041713 979227626 /nfs/dbraw/zinc/22/76/26/979227626.db2.gz VLAJDUVHQKKWTQ-KJBLDROHSA-N -1 0 335.400 2.710 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000835008243 979244378 /nfs/dbraw/zinc/24/43/78/979244378.db2.gz HNUPFYXQIISRSX-HUUCEWRRSA-N -1 0 332.335 2.538 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000836751897 979257425 /nfs/dbraw/zinc/25/74/25/979257425.db2.gz ZQIGBHTUPLICHQ-INIZCTEOSA-N -1 0 330.384 2.677 20 30 EFEDRM C#C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000840992662 979290916 /nfs/dbraw/zinc/29/09/16/979290916.db2.gz DAMXRBKXDGVTSA-ZDUSSCGKSA-N -1 0 326.755 2.708 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@@H](CC)C(=O)[O-])cc1OC ZINC000844157807 979347605 /nfs/dbraw/zinc/34/76/05/979347605.db2.gz GNFGZDPBWXCMDB-IUCKJTJTSA-N -1 0 333.384 2.500 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000849331771 979491646 /nfs/dbraw/zinc/49/16/46/979491646.db2.gz CJZIWZBOPKBRJA-LLVKDONJSA-N -1 0 327.377 2.501 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001592834296 979575858 /nfs/dbraw/zinc/57/58/58/979575858.db2.gz OXBFCKHBIUECEZ-MGPQQGTHSA-N -1 0 328.412 2.837 20 30 EFEDRM CC[C@H](CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001595147222 979625603 /nfs/dbraw/zinc/62/56/03/979625603.db2.gz OPNXWGAWOMUVCY-ZYHUDNBSSA-N -1 0 343.305 2.572 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC001592848330 979629918 /nfs/dbraw/zinc/62/99/18/979629918.db2.gz OCJHBYYKJLLJKP-MRXNPFEDSA-N -1 0 332.356 2.575 20 30 EFEDRM CC[C@@](CNC(=O)N1CCC[C@@](C)(C#N)C1)(C(=O)[O-])c1ccccc1 ZINC001595148252 979631478 /nfs/dbraw/zinc/63/14/78/979631478.db2.gz YOCJNGPDKJLZOR-OALUTQOASA-N -1 0 343.427 2.754 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1)C(=O)[O-] ZINC001592866547 979711723 /nfs/dbraw/zinc/71/17/23/979711723.db2.gz KTGKWTGHTWPOGX-RHSMWYFYSA-N -1 0 344.411 2.644 20 30 EFEDRM CC[C@@H](COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001595180938 979793025 /nfs/dbraw/zinc/79/30/25/979793025.db2.gz AIPSWIVVSNPDBE-ZDUSSCGKSA-N -1 0 343.335 2.998 20 30 EFEDRM CC[C@@H](COC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001595183242 979815253 /nfs/dbraw/zinc/81/52/53/979815253.db2.gz MVJIGENZZYVTQH-ZDUSSCGKSA-N -1 0 341.367 2.731 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=C)C)C(=O)[O-])cc1OC ZINC000864188921 979838738 /nfs/dbraw/zinc/83/87/38/979838738.db2.gz XTRANDYQVVPNAB-HEWZJLJBSA-N -1 0 345.395 2.809 20 30 EFEDRM CSc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C#N ZINC000898871478 980224702 /nfs/dbraw/zinc/22/47/02/980224702.db2.gz MFCCYHRJYRDYIV-SMDDNHRTSA-N -1 0 347.440 2.532 20 30 EFEDRM CCOCc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)n1 ZINC000901313412 980260432 /nfs/dbraw/zinc/26/04/32/980260432.db2.gz ICVGQNRVTBAWQY-VHSXEESVSA-N -1 0 340.811 2.955 20 30 EFEDRM C[C@](NC(=O)CCCC#N)(C(=O)[O-])c1cccc(Br)c1 ZINC001593015183 980260921 /nfs/dbraw/zinc/26/09/21/980260921.db2.gz IFVPAAHOIHYULR-CQSZACIVSA-N -1 0 339.189 2.559 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000901576297 980389896 /nfs/dbraw/zinc/38/98/96/980389896.db2.gz YYRGIHASRSWFJA-HNNXBMFYSA-N -1 0 328.412 2.939 20 30 EFEDRM C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC000901646212 980423428 /nfs/dbraw/zinc/42/34/28/980423428.db2.gz LHSQYCCSAVDEIL-CZUORRHYSA-N -1 0 326.396 2.549 20 30 EFEDRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595355246 980700339 /nfs/dbraw/zinc/70/03/39/980700339.db2.gz SJHMCEYLSUANFT-ZNMIVQPWSA-N -1 0 336.432 2.577 20 30 EFEDRM N#C[C@@]1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC2CCC1CC2 ZINC000902069797 980719758 /nfs/dbraw/zinc/71/97/58/980719758.db2.gz OVQFWQKPILYLDJ-UQHNMZTPSA-N -1 0 338.407 2.917 20 30 EFEDRM CCOCc1nc(C)cc(N=NC(C)c2cc(C(=O)[O-])cs2)n1 ZINC000905502735 981119507 /nfs/dbraw/zinc/11/95/07/981119507.db2.gz LHDMKBAVEWCCHU-UHFFFAOYSA-N -1 0 334.401 2.917 20 30 EFEDRM CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595593517 981557221 /nfs/dbraw/zinc/55/72/21/981557221.db2.gz BPRRNGFAFUAOCD-MRXNPFEDSA-N -1 0 343.427 2.798 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC001594793574 981865362 /nfs/dbraw/zinc/86/53/62/981865362.db2.gz UZBRPANTNPSYNX-KRWDZBQOSA-N -1 0 336.338 2.942 20 30 EFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001594821150 981968142 /nfs/dbraw/zinc/96/81/42/981968142.db2.gz OFNNWXIRMCSXDR-KRWDZBQOSA-N -1 0 327.340 2.586 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595651165 982018362 /nfs/dbraw/zinc/01/83/62/982018362.db2.gz CMUJNGYQYCXLTD-CYBMUJFWSA-N -1 0 338.408 2.613 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595652576 982035375 /nfs/dbraw/zinc/03/53/75/982035375.db2.gz VPWSNNPEHXCHNK-MRXNPFEDSA-N -1 0 334.416 2.901 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-] ZINC001595687252 982178823 /nfs/dbraw/zinc/17/88/23/982178823.db2.gz OFYWOASVETXENF-LLVKDONJSA-N -1 0 344.820 2.523 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001595704447 982275268 /nfs/dbraw/zinc/27/52/68/982275268.db2.gz NMFZDRKBLUNJTK-UHFFFAOYSA-N -1 0 334.825 2.682 20 30 EFEDRM CCCCCCCNC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001595704677 982278174 /nfs/dbraw/zinc/27/81/74/982278174.db2.gz VPTMTIWYVMCGMW-UHFFFAOYSA-N -1 0 326.418 2.780 20 30 EFEDRM CCCCN(CCCC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595744658 982408780 /nfs/dbraw/zinc/40/87/80/982408780.db2.gz KAWLPFXBTDIYHR-UHFFFAOYSA-N -1 0 338.429 2.847 20 30 EFEDRM CCCCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1 ZINC001595804877 982629998 /nfs/dbraw/zinc/62/99/98/982629998.db2.gz LLBXXKIVDNGJTM-INIZCTEOSA-N -1 0 341.367 2.846 20 30 EFEDRM CCCCn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1 ZINC001595805577 982632266 /nfs/dbraw/zinc/63/22/66/982632266.db2.gz XZZLCPAAYSJYOR-INIZCTEOSA-N -1 0 341.367 2.846 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC2CCC1CC2 ZINC000923064204 982703069 /nfs/dbraw/zinc/70/30/69/982703069.db2.gz NCWLXQMREBXMHN-HOUAELIMSA-N -1 0 326.396 2.691 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CC12CCCC2 ZINC000923065776 982703979 /nfs/dbraw/zinc/70/39/79/982703979.db2.gz SUZHLKNEIBYYQW-IFXJQAMLSA-N -1 0 344.386 2.659 20 30 EFEDRM N#C[C@@]1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC2CCC1CC2 ZINC000923083665 982713976 /nfs/dbraw/zinc/71/39/76/982713976.db2.gz QVTGGMBROOIHAI-RLFMMWCFSA-N -1 0 344.386 2.830 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C(=O)[O-] ZINC000923103435 982726432 /nfs/dbraw/zinc/72/64/32/982726432.db2.gz GSFATWDORRVKAC-SRVKXCTJSA-N -1 0 337.338 2.802 20 30 EFEDRM N#C[C@@]1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC12CCCC2 ZINC000923106049 982728517 /nfs/dbraw/zinc/72/85/17/982728517.db2.gz JJZJMXRKPQBCTK-PIGZYNQJSA-N -1 0 345.424 2.631 20 30 EFEDRM C=CCc1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc(OC)c1OC ZINC001118807384 982962636 /nfs/dbraw/zinc/96/26/36/982962636.db2.gz HURXNNNQSBFORH-UHFFFAOYSA-N -1 0 335.400 2.758 20 30 EFEDRM C#CCCCCC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001119580031 982989952 /nfs/dbraw/zinc/98/99/52/982989952.db2.gz JILCUDRFRXTSAW-LSDHHAIUSA-N -1 0 335.350 2.785 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001573302068 983039617 /nfs/dbraw/zinc/03/96/17/983039617.db2.gz PFCCXTSXEHUEAK-UHFFFAOYSA-N -1 0 337.375 2.759 20 30 EFEDRM CCCNN=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001595936235 983071897 /nfs/dbraw/zinc/07/18/97/983071897.db2.gz ZRRJZPFRWHWGJD-UHFFFAOYSA-N -1 0 332.356 2.899 20 30 EFEDRM N#CCCCn1cc(C(=O)NC2(C(=O)[O-])CCC2)c2ccccc21 ZINC001574790735 983276083 /nfs/dbraw/zinc/27/60/83/983276083.db2.gz PEMWLXMMUTXTOF-UHFFFAOYSA-N -1 0 325.368 2.682 20 30 EFEDRM C#CC(C)(C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588367603 983300339 /nfs/dbraw/zinc/30/03/39/983300339.db2.gz ZNBGNJIBDPDIQW-UHFFFAOYSA-N -1 0 331.393 2.570 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588367748 983301119 /nfs/dbraw/zinc/30/11/19/983301119.db2.gz BESQTKOFRQQTPU-JOYOIKCWSA-N -1 0 328.290 2.651 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588369552 983315511 /nfs/dbraw/zinc/31/55/11/983315511.db2.gz POQYZKHTRMAYQY-SECBINFHSA-N -1 0 339.189 2.989 20 30 EFEDRM C#C[C@@H](CCC)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588370630 983321023 /nfs/dbraw/zinc/32/10/23/983321023.db2.gz JFZPKZBQWPHEST-LBPRGKRZSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@@H](CCC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588370819 983322267 /nfs/dbraw/zinc/32/22/67/983322267.db2.gz NOWMOUCCONTRLM-AWEZNQCLSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001588371979 983326443 /nfs/dbraw/zinc/32/64/43/983326443.db2.gz BDKBSIISBUOBBV-GWCFXTLKSA-N -1 0 338.201 2.741 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(F)cc1 ZINC001588371988 983326618 /nfs/dbraw/zinc/32/66/18/983326618.db2.gz BEOBDENVUXIRAC-RKVPGOIHSA-N -1 0 330.359 2.539 20 30 EFEDRM C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001588372470 983331074 /nfs/dbraw/zinc/33/10/74/983331074.db2.gz LGODDRXOOLIGSL-AWEZNQCLSA-N -1 0 334.803 2.959 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372639 983333202 /nfs/dbraw/zinc/33/32/02/983333202.db2.gz PTADCZIQUNIIGO-PBHICJAKSA-N -1 0 334.803 2.911 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001588372795 983334088 /nfs/dbraw/zinc/33/40/88/983334088.db2.gz SVTSLDQRXMFYQG-RDJZCZTQSA-N -1 0 328.412 2.762 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001588372897 983334717 /nfs/dbraw/zinc/33/47/17/983334717.db2.gz VISZJAOXSPLWBD-ARFHVFGLSA-N -1 0 328.412 2.544 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001588372898 983334906 /nfs/dbraw/zinc/33/49/06/983334906.db2.gz VISZJAOXSPLWBD-XHSDSOJGSA-N -1 0 328.412 2.544 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001588376313 983351414 /nfs/dbraw/zinc/35/14/14/983351414.db2.gz SEXLGCOPWPKCPR-NSHDSACASA-N -1 0 347.795 2.504 20 30 EFEDRM C#C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1cccc(C(F)(F)F)c1 ZINC001588376523 983351790 /nfs/dbraw/zinc/35/17/90/983351790.db2.gz UNVHUAURWCZZPW-RWMBFGLXSA-N -1 0 342.269 2.555 20 30 EFEDRM C#C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC001588376891 983354492 /nfs/dbraw/zinc/35/44/92/983354492.db2.gz ZKFVNNFQLWYTPF-YVARQFDVSA-N -1 0 330.340 2.533 20 30 EFEDRM C#CC1(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CCCC1 ZINC001588379584 983364713 /nfs/dbraw/zinc/36/47/13/983364713.db2.gz MTVIHNGNWYJECM-UHFFFAOYSA-N -1 0 341.816 2.571 20 30 EFEDRM C#CC1CCC(c2nnc(N3CCC[C@H](CCC(=O)[O-])C3)n2C)CC1 ZINC001588382382 983371156 /nfs/dbraw/zinc/37/11/56/983371156.db2.gz OCGFBDONQCOZSU-HWOWSKLDSA-N -1 0 344.459 2.803 20 30 EFEDRM C#CC1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001588382547 983372418 /nfs/dbraw/zinc/37/24/18/983372418.db2.gz CDTHTPOGFWCAFP-INIZCTEOSA-N -1 0 328.412 2.893 20 30 EFEDRM C#C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001588382791 983374729 /nfs/dbraw/zinc/37/47/29/983374729.db2.gz JAOPZTQDCMBTLV-CQSZACIVSA-N -1 0 341.411 2.862 20 30 EFEDRM C#C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588383240 983379224 /nfs/dbraw/zinc/37/92/24/983379224.db2.gz QGLPFRVEMATASB-HOCLYGCPSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC[C@H](CCOC)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588393209 983396873 /nfs/dbraw/zinc/39/68/73/983396873.db2.gz DANNCGVSEGBZOH-SECBINFHSA-N -1 0 326.736 2.787 20 30 EFEDRM CCCc1nc(C)c(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)o1 ZINC001596082389 983400539 /nfs/dbraw/zinc/40/05/39/983400539.db2.gz VNDWHKBFSSEQQV-UHFFFAOYSA-N -1 0 327.336 2.842 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001588396342 983408292 /nfs/dbraw/zinc/40/82/92/983408292.db2.gz XREJNEOGYZLURB-CQSZACIVSA-N -1 0 325.324 2.735 20 30 EFEDRM C#CC[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC001588399313 983415296 /nfs/dbraw/zinc/41/52/96/983415296.db2.gz TZCAHPBUTMGJFR-LLVKDONJSA-N -1 0 326.179 2.618 20 30 EFEDRM C#CC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588407381 983428435 /nfs/dbraw/zinc/42/84/35/983428435.db2.gz HDNWLJCROLLWFA-JJTUDDRGSA-N -1 0 326.396 2.550 20 30 EFEDRM CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001596106105 983430542 /nfs/dbraw/zinc/43/05/42/983430542.db2.gz SDLSQXIPTDEEDB-UHFFFAOYSA-N -1 0 339.399 2.528 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC001588413609 983431493 /nfs/dbraw/zinc/43/14/93/983431493.db2.gz CSXWTLISVFVPPT-SNVBAGLBSA-N -1 0 332.208 2.922 20 30 EFEDRM C#CC[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC001588413663 983431823 /nfs/dbraw/zinc/43/18/23/983431823.db2.gz FKXCPYWWTIONMK-SNVBAGLBSA-N -1 0 325.151 2.681 20 30 EFEDRM C#CC[C@H](NC(=O)c1c(F)ccc(SCC2CC2)c1F)C(=O)[O-] ZINC001588414469 983434090 /nfs/dbraw/zinc/43/40/90/983434090.db2.gz TUMDTRZDUPKVEE-NSHDSACASA-N -1 0 339.363 2.673 20 30 EFEDRM C#CC[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588415659 983435233 /nfs/dbraw/zinc/43/52/33/983435233.db2.gz CXHYJJFOFNDVTJ-HNNXBMFYSA-N -1 0 328.755 2.608 20 30 EFEDRM C#CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001588422532 983446780 /nfs/dbraw/zinc/44/67/80/983446780.db2.gz ZDNLNXQGCVOKRZ-SSDOTTSWSA-N -1 0 340.813 2.731 20 30 EFEDRM C#CC[C@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001588422535 983447354 /nfs/dbraw/zinc/44/73/54/983447354.db2.gz ZDNLNXQGCVOKRZ-ZETCQYMHSA-N -1 0 340.813 2.731 20 30 EFEDRM C#CC[C@@H](NCc1ccc(-c2ccc(C(=O)OCC)cc2)o1)C(=O)[O-] ZINC001588422686 983448143 /nfs/dbraw/zinc/44/81/43/983448143.db2.gz NIHAKIPJYQQXSJ-MRXNPFEDSA-N -1 0 341.363 2.689 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCOCC1 ZINC001588428001 983459194 /nfs/dbraw/zinc/45/91/94/983459194.db2.gz WHMXQSJVWVGGBV-JKSUJKDBSA-N -1 0 342.395 2.569 20 30 EFEDRM C#CCC1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001588428396 983461725 /nfs/dbraw/zinc/46/17/25/983461725.db2.gz NBDDVXWVFNCRQP-UHFFFAOYSA-N -1 0 329.396 2.740 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)CCCCC1 ZINC001588431516 983465189 /nfs/dbraw/zinc/46/51/89/983465189.db2.gz KGJDZBUTYBJTMA-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CCCCC1 ZINC001588432154 983467689 /nfs/dbraw/zinc/46/76/89/983467689.db2.gz ZSTNDVGSEDRJRL-UHFFFAOYSA-N -1 0 339.388 2.528 20 30 EFEDRM C#CC[C@H]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC001588434952 983473351 /nfs/dbraw/zinc/47/33/51/983473351.db2.gz YHEHERNKQDANAE-NSHDSACASA-N -1 0 349.433 2.633 20 30 EFEDRM C#CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588435251 983475451 /nfs/dbraw/zinc/47/54/51/983475451.db2.gz IGTILGQRYUWHAC-GFCCVEGCSA-N -1 0 344.230 2.898 20 30 EFEDRM CCN(C(=O)CCSCC(=O)[O-])c1ccc(C#N)c(Cl)c1 ZINC001596137545 983486741 /nfs/dbraw/zinc/48/67/41/983486741.db2.gz NOQAOBYRBPCDQV-UHFFFAOYSA-N -1 0 326.805 2.772 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001588464175 983493412 /nfs/dbraw/zinc/49/34/12/983493412.db2.gz YQNINDRVUPVHAD-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596143926 983498818 /nfs/dbraw/zinc/49/88/18/983498818.db2.gz XVTOEYWPEXKDKE-ZDUSSCGKSA-N -1 0 337.379 2.804 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588469714 983502808 /nfs/dbraw/zinc/50/28/08/983502808.db2.gz OITJOOMMPSRZHH-ZBFHGGJFSA-N -1 0 332.375 2.614 20 30 EFEDRM C#CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1 ZINC001588470024 983504595 /nfs/dbraw/zinc/50/45/95/983504595.db2.gz ZJBHSOUEKHZQSG-UHFFFAOYSA-N -1 0 325.412 2.610 20 30 EFEDRM C#CCO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588490373 983532124 /nfs/dbraw/zinc/53/21/24/983532124.db2.gz MAHFHZAEMCHOLJ-PELKAZGASA-N -1 0 331.151 2.701 20 30 EFEDRM C#CCOCCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588491071 983535049 /nfs/dbraw/zinc/53/50/49/983535049.db2.gz DAEXVNUWMWKMKI-UHFFFAOYSA-N -1 0 330.409 2.590 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001588497533 983539785 /nfs/dbraw/zinc/53/97/85/983539785.db2.gz LURWIUDSVVMZQE-KRWDZBQOSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001588497601 983540079 /nfs/dbraw/zinc/54/00/79/983540079.db2.gz PWRYDEYORSLGPJ-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001588497668 983540585 /nfs/dbraw/zinc/54/05/85/983540585.db2.gz TYIBBTZYSLOCJP-UHFFFAOYSA-N -1 0 339.347 2.682 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588497818 983541522 /nfs/dbraw/zinc/54/15/22/983541522.db2.gz DRKNJSNEFOPHPS-SNVBAGLBSA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001588498965 983544749 /nfs/dbraw/zinc/54/47/49/983544749.db2.gz JVLIAIWRWRHWIE-UHFFFAOYSA-N -1 0 335.359 2.595 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001588499117 983544966 /nfs/dbraw/zinc/54/49/66/983544966.db2.gz NWNSXUJOHGVRDL-CQSZACIVSA-N -1 0 336.363 2.849 20 30 EFEDRM C#CCON=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001588499080 983544996 /nfs/dbraw/zinc/54/49/96/983544996.db2.gz MRJUXMPCQVDGIJ-UHFFFAOYSA-N -1 0 339.347 2.956 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001588499189 983545077 /nfs/dbraw/zinc/54/50/77/983545077.db2.gz PAGKRPZECHIOGC-GOSISDBHSA-N -1 0 337.375 2.871 20 30 EFEDRM C#CCSCC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588506278 983551275 /nfs/dbraw/zinc/55/12/75/983551275.db2.gz OBYVEXLEKRDOTL-GFCCVEGCSA-N -1 0 332.299 2.741 20 30 EFEDRM C#CCSc1ccc(COC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001588509408 983552617 /nfs/dbraw/zinc/55/26/17/983552617.db2.gz CQQXMLFYXGZVTD-GOEBONIOSA-N -1 0 348.420 2.868 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001588510260 983555182 /nfs/dbraw/zinc/55/51/82/983555182.db2.gz BZTPCVCPQWMXPH-HDJSIYSDSA-N -1 0 330.384 2.854 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001588511526 983559888 /nfs/dbraw/zinc/55/98/88/983559888.db2.gz XXMRIRWNVCGWLT-ZUOKHONESA-N -1 0 334.375 2.670 20 30 EFEDRM C#Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001588517936 983567049 /nfs/dbraw/zinc/56/70/49/983567049.db2.gz JXFRPVSROVVMTJ-QGZVFWFLSA-N -1 0 343.404 2.552 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001588522132 983569349 /nfs/dbraw/zinc/56/93/49/983569349.db2.gz DGABSPBKOSEQHN-NRFANRHFSA-N -1 0 348.402 2.606 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001588523690 983573199 /nfs/dbraw/zinc/57/31/99/983573199.db2.gz TVEBZEASVRJTBY-GFCCVEGCSA-N -1 0 326.352 2.591 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588524217 983574165 /nfs/dbraw/zinc/57/41/65/983574165.db2.gz CKLRLZGXSYIBOF-HXUWFJFHSA-N -1 0 339.366 2.856 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001588524477 983574903 /nfs/dbraw/zinc/57/49/03/983574903.db2.gz LQAZDOGBWNGCJS-UHFFFAOYSA-N -1 0 341.794 2.977 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001588528850 983578660 /nfs/dbraw/zinc/57/86/60/983578660.db2.gz JWJJWWDDDMLFLO-KRWDZBQOSA-N -1 0 328.412 2.997 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001588529236 983580462 /nfs/dbraw/zinc/58/04/62/983580462.db2.gz UJWBPOIFOBEQOA-UHFFFAOYSA-N -1 0 329.739 2.906 20 30 EFEDRM C=C(C)[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC001588533916 983584712 /nfs/dbraw/zinc/58/47/12/983584712.db2.gz CHHKRQCQMYPIKY-ZDUSSCGKSA-N -1 0 345.367 2.509 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588534581 983586241 /nfs/dbraw/zinc/58/62/41/983586241.db2.gz AJYVFWLAUWBEGI-XPTSAGLGSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588535588 983590046 /nfs/dbraw/zinc/59/00/46/983590046.db2.gz JQOLJVOKYWADEY-MEDUHNTESA-N -1 0 343.383 2.969 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588535683 983590216 /nfs/dbraw/zinc/59/02/16/983590216.db2.gz KIRAYWNEXNKEJO-WMLDXEAASA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588536703 983595474 /nfs/dbraw/zinc/59/54/74/983595474.db2.gz UENKSOIEJAETTC-OTYXRUKQSA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588536666 983595490 /nfs/dbraw/zinc/59/54/90/983595490.db2.gz TXZJRPHOYHAROC-YOEHRIQHSA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588537142 983597894 /nfs/dbraw/zinc/59/78/94/983597894.db2.gz JBCSSHGNXNVAER-LBPRGKRZSA-N -1 0 336.388 2.621 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)C(=O)[O-] ZINC001588541155 983606651 /nfs/dbraw/zinc/60/66/51/983606651.db2.gz TXZRIIVFHBHMQV-LBPRGKRZSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)[O-] ZINC001588542800 983609619 /nfs/dbraw/zinc/60/96/19/983609619.db2.gz RMCKMAXTVPMXCJ-XUWVNRHRSA-N -1 0 325.449 2.999 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)C(=O)[O-] ZINC001588543093 983610702 /nfs/dbraw/zinc/61/07/02/983610702.db2.gz CZJLKGIMGGWYPB-MRXNPFEDSA-N -1 0 327.384 2.843 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(-n2c(C)ccc2C)n1)C(=O)[O-] ZINC001588543801 983612355 /nfs/dbraw/zinc/61/23/55/983612355.db2.gz NQKCDBWISQGPSV-CQSZACIVSA-N -1 0 347.440 2.629 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C(=O)[O-] ZINC001588546219 983614280 /nfs/dbraw/zinc/61/42/80/983614280.db2.gz AWWYORSOLFTZJP-KRWDZBQOSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588555075 983633095 /nfs/dbraw/zinc/63/30/95/983633095.db2.gz YJMCAHZABGHRSO-LLVKDONJSA-N -1 0 337.319 2.811 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001588562756 983643796 /nfs/dbraw/zinc/64/37/96/983643796.db2.gz GXOLDABTZWEMKN-NFOMZHRRSA-N -1 0 348.447 2.622 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001588567070 983646026 /nfs/dbraw/zinc/64/60/26/983646026.db2.gz BAOBLZBUHLCZED-UHFFFAOYSA-N -1 0 337.441 2.649 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001588567260 983646487 /nfs/dbraw/zinc/64/64/87/983646487.db2.gz HKHDQSWPQPZWRE-UHFFFAOYSA-N -1 0 346.408 2.547 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588567468 983646941 /nfs/dbraw/zinc/64/69/41/983646941.db2.gz LTPAOSFTZMNUEX-MRXNPFEDSA-N -1 0 346.431 2.725 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588567398 983646983 /nfs/dbraw/zinc/64/69/83/983646983.db2.gz KWMLKRGHYPCGJG-JKSUJKDBSA-N -1 0 335.400 2.568 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001588570189 983650677 /nfs/dbraw/zinc/65/06/77/983650677.db2.gz UOTJMAAKRRTZOZ-UHFFFAOYSA-N -1 0 329.356 2.647 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)CCc2ocnc2C(=O)[O-])c1 ZINC001588573375 983652166 /nfs/dbraw/zinc/65/21/66/983652166.db2.gz IXNDPMHQGUFCNL-UHFFFAOYSA-N -1 0 330.340 2.899 20 30 EFEDRM C=C(C)CONC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588573420 983652628 /nfs/dbraw/zinc/65/26/28/983652628.db2.gz KFYACOGVDDTZJG-UHFFFAOYSA-N -1 0 347.396 2.815 20 30 EFEDRM C=C(C)CONC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588573556 983653171 /nfs/dbraw/zinc/65/31/71/983653171.db2.gz PWGHEXFTIXYGGT-UHFFFAOYSA-N -1 0 330.340 2.932 20 30 EFEDRM C=C(C)CONC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588573796 983654012 /nfs/dbraw/zinc/65/40/12/983654012.db2.gz XGTMVEDHEZHIME-UHFFFAOYSA-N -1 0 347.140 2.916 20 30 EFEDRM C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588578480 983658542 /nfs/dbraw/zinc/65/85/42/983658542.db2.gz IRXPWNIUQLXYKW-SFHVURJKSA-N -1 0 343.431 2.551 20 30 EFEDRM C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588588881 983664733 /nfs/dbraw/zinc/66/47/33/983664733.db2.gz BWSZPCSBZSAMRS-INIZCTEOSA-N -1 0 348.428 2.589 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588592063 983675598 /nfs/dbraw/zinc/67/55/98/983675598.db2.gz QUNZXALOODBNEN-ZDUSSCGKSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588592269 983676728 /nfs/dbraw/zinc/67/67/28/983676728.db2.gz VDWJASQFSPCOPL-DEYYWGMASA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588592391 983677635 /nfs/dbraw/zinc/67/76/35/983677635.db2.gz XHZGIIZQBGNRLP-LRDDRELGSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)Cn1c(Cc2ccoc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588599291 983688989 /nfs/dbraw/zinc/68/89/89/983688989.db2.gz XSTGKJJJCBPVPY-SFHVURJKSA-N -1 0 344.415 2.729 20 30 EFEDRM C=C(CC)CNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588606035 983695977 /nfs/dbraw/zinc/69/59/77/983695977.db2.gz VGBCHHLYLNQGRN-AWEZNQCLSA-N -1 0 331.416 2.571 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCc1ccc(Br)cc1 ZINC001588606572 983697579 /nfs/dbraw/zinc/69/75/79/983697579.db2.gz ABBNEHJSPKECIX-UHFFFAOYSA-N -1 0 340.217 2.871 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CCOC)Cc1ccc(F)cc1Cl ZINC001588612472 983703015 /nfs/dbraw/zinc/70/30/15/983703015.db2.gz QGSHSEWVKMFQNS-UHFFFAOYSA-N -1 0 343.782 2.875 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001588613834 983705136 /nfs/dbraw/zinc/70/51/36/983705136.db2.gz FPFUXRZYRBIGFM-LBPRGKRZSA-N -1 0 349.349 2.615 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001588614733 983708739 /nfs/dbraw/zinc/70/87/39/983708739.db2.gz AIUKIFJARVWRRZ-LJQANCHMSA-N -1 0 327.380 2.874 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001588615314 983711466 /nfs/dbraw/zinc/71/14/66/983711466.db2.gz QACNVHVCIYRFEK-UHFFFAOYSA-N -1 0 344.455 2.875 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001588618997 983714288 /nfs/dbraw/zinc/71/42/88/983714288.db2.gz HNZZMAZBLRAQCW-INIZCTEOSA-N -1 0 347.411 2.915 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001588619560 983717388 /nfs/dbraw/zinc/71/73/88/983717388.db2.gz XQOHCAVQIYMSIP-OAHLLOKOSA-N -1 0 336.369 2.590 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC(=O)c1ccc(F)c2ccccc12 ZINC001588623815 983730017 /nfs/dbraw/zinc/73/00/17/983730017.db2.gz YFFSXNKEDWSKAF-UHFFFAOYSA-N -1 0 329.327 2.699 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001588624744 983734448 /nfs/dbraw/zinc/73/44/48/983734448.db2.gz VEVOFGKENGVEHD-UHFFFAOYSA-N -1 0 331.290 2.621 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(F)c(F)cc1Br ZINC001588629543 983737677 /nfs/dbraw/zinc/73/76/77/983737677.db2.gz DUWYCVURECWLKV-UHFFFAOYSA-N -1 0 348.143 2.765 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(OC)cccc1OC(F)(F)F ZINC001588630067 983741355 /nfs/dbraw/zinc/74/13/55/983741355.db2.gz CHJMWPZTRSZIGF-UHFFFAOYSA-N -1 0 333.262 2.953 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC001588630164 983741726 /nfs/dbraw/zinc/74/17/26/983741726.db2.gz SDTPOPRILIUYAJ-UHFFFAOYSA-N -1 0 336.697 2.791 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001588633378 983749148 /nfs/dbraw/zinc/74/91/48/983749148.db2.gz MBLJAMLKBRZUPN-QGZVFWFLSA-N -1 0 341.363 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2cc(C)ccn2)c1CCC ZINC001588634429 983753118 /nfs/dbraw/zinc/75/31/18/983753118.db2.gz VGLIQRWSZPULPN-UHFFFAOYSA-N -1 0 342.399 2.888 20 30 EFEDRM C=C(CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588636930 983757627 /nfs/dbraw/zinc/75/76/27/983757627.db2.gz ZLLMDHBVIPZDKA-NSHDSACASA-N -1 0 331.397 2.915 20 30 EFEDRM C=C(CNC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001588637157 983759170 /nfs/dbraw/zinc/75/91/70/983759170.db2.gz JCDSLHGNFGNBNO-UHFFFAOYSA-N -1 0 340.379 2.663 20 30 EFEDRM C=C(Cl)CNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588642567 983764644 /nfs/dbraw/zinc/76/46/44/983764644.db2.gz WCCFMAMGFAJEIC-UHFFFAOYSA-N -1 0 343.836 2.558 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NC2(C(=O)[O-])CC2)s1 ZINC001588643325 983765819 /nfs/dbraw/zinc/76/58/19/983765819.db2.gz FENQBDXUVXRXLM-UHFFFAOYSA-N -1 0 346.861 2.572 20 30 EFEDRM C=C[C@@H](C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC001588664032 983797757 /nfs/dbraw/zinc/79/77/57/983797757.db2.gz MTMAMADHGSJXHT-ZIAGYGMSSA-N -1 0 325.368 2.502 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC001588664324 983799578 /nfs/dbraw/zinc/79/95/78/983799578.db2.gz PMZDTTFFRHEBIQ-QZWWFDLISA-N -1 0 331.412 2.731 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC001588670051 983817742 /nfs/dbraw/zinc/81/77/42/983817742.db2.gz UVGUHUSOPBAWQV-MRXNPFEDSA-N -1 0 343.452 2.567 20 30 EFEDRM C=CC(C)(C)C(=O)O[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588672274 983824619 /nfs/dbraw/zinc/82/46/19/983824619.db2.gz QOBVLRHFEIAEDJ-SECBINFHSA-N -1 0 325.386 2.837 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588673137 983828974 /nfs/dbraw/zinc/82/89/74/983828974.db2.gz LGBQKQCZRKNHMN-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=CC(C)(C)CNC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588676787 983831076 /nfs/dbraw/zinc/83/10/76/983831076.db2.gz BFMJXCJDVXRBFF-BGMSHATGSA-N -1 0 326.462 2.627 20 30 EFEDRM C=CC(C)(C)CCNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001588676982 983833317 /nfs/dbraw/zinc/83/33/17/983833317.db2.gz NHGVGWUVWUMKTF-UHFFFAOYSA-N -1 0 325.796 2.835 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001588677223 983834424 /nfs/dbraw/zinc/83/44/24/983834424.db2.gz YBQSTHNQNUNQNS-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=C[C@@](C)(CCOC)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001588682821 983845685 /nfs/dbraw/zinc/84/56/85/983845685.db2.gz QUSVHRIDDSJYFC-KRWDZBQOSA-N -1 0 332.356 2.827 20 30 EFEDRM C=C[C@](C)(O)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588684661 983862379 /nfs/dbraw/zinc/86/23/79/983862379.db2.gz WFXDUUKPRTZDES-AWEZNQCLSA-N -1 0 347.289 2.592 20 30 EFEDRM C=C[C@H](C)ONC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588687818 983872250 /nfs/dbraw/zinc/87/22/50/983872250.db2.gz SRIKOCBIHMATIB-JTQLQIEISA-N -1 0 347.396 2.814 20 30 EFEDRM C=C[C@@H](C)ONC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588688014 983873098 /nfs/dbraw/zinc/87/30/98/983873098.db2.gz VXKUSRQAGFRDIH-SCZZXKLOSA-N -1 0 325.390 2.502 20 30 EFEDRM C=C[C@H](OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)C(=O)[O-] ZINC001588711953 983940580 /nfs/dbraw/zinc/94/05/80/983940580.db2.gz RSRFHMYKMVKKJN-INIZCTEOSA-N -1 0 345.351 2.595 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001588718873 983958377 /nfs/dbraw/zinc/95/83/77/983958377.db2.gz IIVBDSHAGXDTNN-GFCCVEGCSA-N -1 0 332.356 2.744 20 30 EFEDRM C=CC[C@@H](C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC001588720684 983969069 /nfs/dbraw/zinc/96/90/69/983969069.db2.gz DPNXCWRYLWKWLW-ZWKOTPCHSA-N -1 0 338.407 2.801 20 30 EFEDRM C=CC[C@H](C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-])c1ccccc1 ZINC001588720681 983969100 /nfs/dbraw/zinc/96/91/00/983969100.db2.gz DPNXCWRYLWKWLW-MSOLQXFVSA-N -1 0 338.407 2.801 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001588736094 984022786 /nfs/dbraw/zinc/02/27/86/984022786.db2.gz DMOSEZGJQYFAJT-WDEREUQCSA-N -1 0 336.354 2.883 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588736742 984026608 /nfs/dbraw/zinc/02/66/08/984026608.db2.gz TXEIPNBPNUDHRZ-UHFFFAOYSA-N -1 0 333.356 2.544 20 30 EFEDRM C=CCC(C)(C)CNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001588736804 984027549 /nfs/dbraw/zinc/02/75/49/984027549.db2.gz VIVOPBLMLUWZKU-UHFFFAOYSA-N -1 0 327.384 2.903 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588736928 984027752 /nfs/dbraw/zinc/02/77/52/984027752.db2.gz ZSVGTAWGZNMYTC-NSHDSACASA-N -1 0 337.445 2.943 20 30 EFEDRM C=CC[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccncc1 ZINC001588742843 984034659 /nfs/dbraw/zinc/03/46/59/984034659.db2.gz LMQMJPJOIVVRSX-DAYGRLMNSA-N -1 0 329.400 2.738 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccncc1 ZINC001588743518 984038013 /nfs/dbraw/zinc/03/80/13/984038013.db2.gz ZEGQGGJULRTFES-HNNXBMFYSA-N -1 0 329.356 2.798 20 30 EFEDRM C=CC[C@H](Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)C(=O)[O-] ZINC001588750170 984070069 /nfs/dbraw/zinc/07/00/69/984070069.db2.gz CGGRRKBQVQGZDX-INIZCTEOSA-N -1 0 345.443 2.861 20 30 EFEDRM C=CC[C@@H](Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1)C(=O)[O-] ZINC001588750171 984070163 /nfs/dbraw/zinc/07/01/63/984070163.db2.gz CGGRRKBQVQGZDX-MRXNPFEDSA-N -1 0 345.443 2.861 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@H](OC)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588752657 984082422 /nfs/dbraw/zinc/08/24/22/984082422.db2.gz YZUVIDNGPQCELB-RYUDHWBXSA-N -1 0 332.274 2.965 20 30 EFEDRM C=CC[C@H](OC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC001588754434 984094250 /nfs/dbraw/zinc/09/42/50/984094250.db2.gz ZWKDGUHDLDFNGO-ZDUSSCGKSA-N -1 0 348.330 2.689 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC001588756393 984097696 /nfs/dbraw/zinc/09/76/96/984097696.db2.gz KPBODMPWMYPPLV-SECBINFHSA-N -1 0 328.246 2.539 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(Cl)ncc1Br)C(=O)[O-] ZINC001588757317 984102593 /nfs/dbraw/zinc/10/25/93/984102593.db2.gz YCDZUJSWNVPXIR-QMMMGPOBSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H](Sc1nnc(-c2cccc(OC(C)C)c2)n1N)C(=O)[O-] ZINC001588757979 984104890 /nfs/dbraw/zinc/10/48/90/984104890.db2.gz DJQGYNCBUIOANI-CYBMUJFWSA-N -1 0 348.428 2.568 20 30 EFEDRM C=CC[C@@H](OC(=O)c1sc(-c2c(C)noc2C)nc1C)C(=O)[O-] ZINC001588759616 984112702 /nfs/dbraw/zinc/11/27/02/984112702.db2.gz XTVZRZKYRBLGIZ-SNVBAGLBSA-N -1 0 336.369 2.909 20 30 EFEDRM C=CC[C@@H](Sc1ncnc2c1cnn2Cc1ccccc1)C(=O)[O-] ZINC001588759778 984113371 /nfs/dbraw/zinc/11/33/71/984113371.db2.gz ZUNXVDAUDIFZGC-CQSZACIVSA-N -1 0 340.408 2.996 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001588767301 984130070 /nfs/dbraw/zinc/13/00/70/984130070.db2.gz SWPJUHDZRZUBKD-UHFFFAOYSA-N -1 0 341.404 2.939 20 30 EFEDRM C=CCC1(NC(=O)Nc2nnc(CCCC(=O)[O-])s2)CCCC1 ZINC001588767333 984130115 /nfs/dbraw/zinc/13/01/15/984130115.db2.gz VONYMQHZNHCXTB-UHFFFAOYSA-N -1 0 338.433 2.956 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)CCCC1 ZINC001588768784 984131119 /nfs/dbraw/zinc/13/11/19/984131119.db2.gz GCCVWLHOVJPIIE-UHFFFAOYSA-N -1 0 339.413 2.561 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCCC1 ZINC001588769120 984132242 /nfs/dbraw/zinc/13/22/42/984132242.db2.gz LNMBWCHPCGITOK-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCCC1 ZINC001588769187 984132911 /nfs/dbraw/zinc/13/29/11/984132911.db2.gz PDFINGZAMUFXDB-JXMROGBWSA-N -1 0 335.425 2.952 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001588770506 984134544 /nfs/dbraw/zinc/13/45/44/984134544.db2.gz AKEQUSOZNXYNIS-JQWIXIFHSA-N -1 0 336.413 2.636 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001588773606 984148416 /nfs/dbraw/zinc/14/84/16/984148416.db2.gz BERGKIQJQHJYDM-MRXNPFEDSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588777476 984156280 /nfs/dbraw/zinc/15/62/80/984156280.db2.gz ABWDREJTDKHVNK-LBPRGKRZSA-N -1 0 328.368 2.987 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001588777525 984156418 /nfs/dbraw/zinc/15/64/18/984156418.db2.gz CIOATAUZUOREJF-UHFFFAOYSA-N -1 0 332.400 2.801 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001588778512 984161003 /nfs/dbraw/zinc/16/10/03/984161003.db2.gz COBNSNDECWRKFF-AWEZNQCLSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778670 984162026 /nfs/dbraw/zinc/16/20/26/984162026.db2.gz IQRYKOISFDUGCX-IMJJTQAJSA-N -1 0 332.400 2.577 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001588782393 984171610 /nfs/dbraw/zinc/17/16/10/984171610.db2.gz DNHQOJVHDLDVKC-CQSZACIVSA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001588782390 984171713 /nfs/dbraw/zinc/17/17/13/984171713.db2.gz DNHQOJVHDLDVKC-AWEZNQCLSA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588782560 984172988 /nfs/dbraw/zinc/17/29/88/984172988.db2.gz IZAKDMCOKUTUDJ-JTQLQIEISA-N -1 0 336.363 2.632 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](CC)Nc1cccnc1Cl)C(=O)[O-] ZINC001588784924 984178377 /nfs/dbraw/zinc/17/83/77/984178377.db2.gz DEOQRDCSWOXGDJ-WCQYABFASA-N -1 0 339.823 2.851 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC001588786233 984183647 /nfs/dbraw/zinc/18/36/47/984183647.db2.gz NZWCIKRJEWQAAG-STQMWFEESA-N -1 0 327.421 2.526 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC001588786230 984184039 /nfs/dbraw/zinc/18/40/39/984184039.db2.gz NZWCIKRJEWQAAG-CHWSQXEVSA-N -1 0 327.421 2.526 20 30 EFEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)C(=O)[O-] ZINC001588787362 984187231 /nfs/dbraw/zinc/18/72/31/984187231.db2.gz VTSRUHLOXKDFCA-NSHDSACASA-N -1 0 333.281 2.982 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787637 984187640 /nfs/dbraw/zinc/18/76/40/984187640.db2.gz WZZJEEJETGVAFP-QWHCGFSZSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001588788725 984192393 /nfs/dbraw/zinc/19/23/93/984192393.db2.gz LJOYBHOXVXAQLG-LLVKDONJSA-N -1 0 330.306 2.569 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCCN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588788790 984193045 /nfs/dbraw/zinc/19/30/45/984193045.db2.gz NXVWHSQYLFBIGE-ZDUSSCGKSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCCN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588788789 984193130 /nfs/dbraw/zinc/19/31/30/984193130.db2.gz NXVWHSQYLFBIGE-CYBMUJFWSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(Br)s1)C(=O)[O-] ZINC001588789146 984196800 /nfs/dbraw/zinc/19/68/00/984196800.db2.gz ZTBXHZJPLCFEMN-SNVBAGLBSA-N -1 0 346.246 2.979 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC(c2cc(C)ccc2C)=NO1)C(=O)[O-] ZINC001588789612 984199850 /nfs/dbraw/zinc/19/98/50/984199850.db2.gz GLTGASWEWVERLW-DOTOQJQBSA-N -1 0 344.411 2.722 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)ccc1N)C(=O)[O-] ZINC001588792379 984208678 /nfs/dbraw/zinc/20/86/78/984208678.db2.gz FPDIPQQTUQTNKO-GFCCVEGCSA-N -1 0 341.205 2.571 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)C(=O)[O-] ZINC001588792757 984213107 /nfs/dbraw/zinc/21/31/07/984213107.db2.gz DIYJALNWNLMBEM-HOCLYGCPSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2nnc(C(C)(C)C)n2c1)C(=O)[O-] ZINC001588792870 984213595 /nfs/dbraw/zinc/21/35/95/984213595.db2.gz HAGLTWWVKIWEIJ-CYBMUJFWSA-N -1 0 344.415 2.566 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001588793748 984221840 /nfs/dbraw/zinc/22/18/40/984221840.db2.gz ZYPRRTPJAGSRTN-SNVBAGLBSA-N -1 0 327.283 2.547 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] ZINC001588794153 984224945 /nfs/dbraw/zinc/22/49/45/984224945.db2.gz MRNHLVMPMJFOIE-YVEFUNNKSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1nc(Br)ccc1F)C(=O)[O-] ZINC001588797338 984229297 /nfs/dbraw/zinc/22/92/97/984229297.db2.gz CXOWJHRYANXQQF-SECBINFHSA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)CCc1cccc(Cl)c1)C(=O)[O-] ZINC001588798046 984232671 /nfs/dbraw/zinc/23/26/71/984232671.db2.gz RWPFBEPFQQISOK-AWEZNQCLSA-N -1 0 345.848 2.611 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC001588798056 984233372 /nfs/dbraw/zinc/23/33/72/984233372.db2.gz SCJURMPLOZZIOP-HNNXBMFYSA-N -1 0 325.430 2.532 20 30 EFEDRM C=CCCC[C@@H]1NC(=O)N(c2cc(Cl)c(F)c(C(=O)[O-])c2)C1=O ZINC001588798668 984237688 /nfs/dbraw/zinc/23/76/88/984237688.db2.gz NJUBOEKAJJOMDP-NSHDSACASA-N -1 0 340.738 2.958 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cccc2ccc(C)nc21)C(=O)[O-] ZINC001588798781 984238937 /nfs/dbraw/zinc/23/89/37/984238937.db2.gz RAEQRKPXZKPBSH-CQSZACIVSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C)C(=O)[O-] ZINC001588799069 984241130 /nfs/dbraw/zinc/24/11/30/984241130.db2.gz ZWKXXHCGCCUGJN-LBPRGKRZSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCCCCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588799763 984241480 /nfs/dbraw/zinc/24/14/80/984241480.db2.gz GURWJPCNGFOOJE-DLBZAZTESA-N -1 0 346.427 2.948 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001588799906 984242967 /nfs/dbraw/zinc/24/29/67/984242967.db2.gz OSFLHNDHKFKYIY-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001588799913 984243025 /nfs/dbraw/zinc/24/30/25/984243025.db2.gz PCQSGLBHRMWOFX-UHFFFAOYSA-N -1 0 343.420 2.820 20 30 EFEDRM C=CCCCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001588804040 984253262 /nfs/dbraw/zinc/25/32/62/984253262.db2.gz XMMDTUHJKSFILO-UHFFFAOYSA-N -1 0 333.775 2.962 20 30 EFEDRM C=CCCOCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588810464 984267693 /nfs/dbraw/zinc/26/76/93/984267693.db2.gz RPIQOFCPDIHGCN-UHFFFAOYSA-N -1 0 346.408 2.717 20 30 EFEDRM C=CCCOCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001588813202 984269035 /nfs/dbraw/zinc/26/90/35/984269035.db2.gz KHKHMABBNWUKHL-UHFFFAOYSA-N -1 0 344.314 2.700 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001588814661 984272151 /nfs/dbraw/zinc/27/21/51/984272151.db2.gz KJNPIKLVGZCBKM-HNNXBMFYSA-N -1 0 337.441 2.584 20 30 EFEDRM C=CCN(CCOC)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588829016 984310873 /nfs/dbraw/zinc/31/08/73/984310873.db2.gz YMFFRINWWUBVGB-UHFFFAOYSA-N -1 0 330.743 2.844 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588829201 984312421 /nfs/dbraw/zinc/31/24/21/984312421.db2.gz ITDRBAVNQQSTJQ-CLWVCHIJSA-N -1 0 332.400 2.519 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588831900 984318644 /nfs/dbraw/zinc/31/86/44/984318644.db2.gz WLNPHFLKQCUHCS-UHFFFAOYSA-N -1 0 342.376 2.638 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588832677 984325248 /nfs/dbraw/zinc/32/52/48/984325248.db2.gz VNFAQNOUTCBPQT-AWEZNQCLSA-N -1 0 336.775 2.960 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588832781 984325734 /nfs/dbraw/zinc/32/57/34/984325734.db2.gz PRJZYGLAIHWQAS-TWMKSMIVSA-N -1 0 328.412 2.884 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588832782 984325861 /nfs/dbraw/zinc/32/58/61/984325861.db2.gz PRJZYGLAIHWQAS-VQHPVUNQSA-N -1 0 328.412 2.884 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001588844191 984356737 /nfs/dbraw/zinc/35/67/37/984356737.db2.gz SJIWJMXUSXSNRR-UHFFFAOYSA-N -1 0 330.365 2.614 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC001588849330 984370403 /nfs/dbraw/zinc/37/04/03/984370403.db2.gz LFXCUBLVQALEJK-GFCCVEGCSA-N -1 0 337.445 2.894 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588855474 984393291 /nfs/dbraw/zinc/39/32/91/984393291.db2.gz HVKSAQKVVOHYQY-SJORKVTESA-N -1 0 346.427 2.518 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588856463 984400439 /nfs/dbraw/zinc/40/04/39/984400439.db2.gz ZTXPMRKGZNQOFJ-ZWNOBZJWSA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001588859241 984404455 /nfs/dbraw/zinc/40/44/55/984404455.db2.gz FGLFYICBAGUOMF-JTQLQIEISA-N -1 0 336.146 2.518 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001588862056 984417447 /nfs/dbraw/zinc/41/74/47/984417447.db2.gz PTVGDDYKVQQVDX-HNNXBMFYSA-N -1 0 339.347 2.972 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001588862142 984417496 /nfs/dbraw/zinc/41/74/96/984417496.db2.gz QVRDZBASSBIUNL-AWEZNQCLSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC001588866465 984425590 /nfs/dbraw/zinc/42/55/90/984425590.db2.gz PWOJEIZHCGIPJA-AWEZNQCLSA-N -1 0 337.322 2.970 20 30 EFEDRM C=CCOc1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001588869643 984440406 /nfs/dbraw/zinc/44/04/06/984440406.db2.gz SFBOGBMDMYTHQB-UHFFFAOYSA-N -1 0 330.340 2.603 20 30 EFEDRM C=CCOc1cccc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001588872700 984441442 /nfs/dbraw/zinc/44/14/42/984441442.db2.gz CNAMZJCSAZAGKY-UHFFFAOYSA-N -1 0 345.355 2.994 20 30 EFEDRM C=CCOc1cccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1 ZINC001588872872 984443167 /nfs/dbraw/zinc/44/31/67/984443167.db2.gz OQPZARAAUOWNAR-UHFFFAOYSA-N -1 0 329.356 2.565 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001588874075 984447513 /nfs/dbraw/zinc/44/75/13/984447513.db2.gz VDGGGYPSJJUBLA-UHFFFAOYSA-N -1 0 339.391 2.737 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1OC ZINC001588875031 984450550 /nfs/dbraw/zinc/45/05/50/984450550.db2.gz RCNFDKOLDLPMIY-UHFFFAOYSA-N -1 0 342.351 2.914 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(OC)[C@@H](C)CC(=O)[O-])cc1OC ZINC001588875098 984451034 /nfs/dbraw/zinc/45/10/34/984451034.db2.gz VQKNCNHRCIBVKF-XOVSCCBYSA-N -1 0 349.383 2.526 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001588875163 984451708 /nfs/dbraw/zinc/45/17/08/984451708.db2.gz ZFYPVJRLNQDUHW-LLVKDONJSA-N -1 0 329.274 2.569 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001588877208 984451718 /nfs/dbraw/zinc/45/17/18/984451718.db2.gz BYVIZHVNDNWSME-UHFFFAOYSA-N -1 0 341.367 2.595 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC001588881798 984461000 /nfs/dbraw/zinc/46/10/00/984461000.db2.gz FAYZFMSLGVUVBI-UEKVPHQBSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc(OC)c1OC ZINC001588882510 984463655 /nfs/dbraw/zinc/46/36/55/984463655.db2.gz WXJMUGRFFRZMJU-LBPRGKRZSA-N -1 0 347.411 2.900 20 30 EFEDRM C=CCc1cc(C(=O)OCC2(C(=O)[O-])CCC2)cc(OC)c1OC ZINC001588885089 984465092 /nfs/dbraw/zinc/46/50/92/984465092.db2.gz LHURKHCRABXQPO-UHFFFAOYSA-N -1 0 334.368 2.844 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncc(Cl)cn1 ZINC001588885255 984466688 /nfs/dbraw/zinc/46/66/88/984466688.db2.gz NICOMMWXWAZAHD-UHFFFAOYSA-N -1 0 348.742 2.785 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001588886174 984471002 /nfs/dbraw/zinc/47/10/02/984471002.db2.gz CMZCWXRISNTPHS-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM C=CCn1c(-c2ccc(F)cc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588888712 984475417 /nfs/dbraw/zinc/47/54/17/984475417.db2.gz AUEOBANTAPNVBQ-UHFFFAOYSA-N -1 0 344.390 2.880 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588895300 984491943 /nfs/dbraw/zinc/49/19/43/984491943.db2.gz BXJABYPHTGNZPO-UHFFFAOYSA-N -1 0 326.303 2.638 20 30 EFEDRM C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588895449 984493333 /nfs/dbraw/zinc/49/33/33/984493333.db2.gz GIJLJNKNGLVEMB-KSSFIOAISA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895622 984495033 /nfs/dbraw/zinc/49/50/33/984495033.db2.gz JZNMGGFVGYRNBJ-IYKSTZQJSA-N -1 0 348.447 2.545 20 30 EFEDRM C=CCn1c(CC(C)C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896363 984500829 /nfs/dbraw/zinc/50/08/29/984500829.db2.gz BOXUIJGYGHGVFQ-UHFFFAOYSA-N -1 0 332.404 2.899 20 30 EFEDRM C=CCn1c(CC(C)C)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588898334 984517990 /nfs/dbraw/zinc/51/79/90/984517990.db2.gz VZLIDLXPMDXBCP-UHFFFAOYSA-N -1 0 340.427 2.924 20 30 EFEDRM C=CCn1c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001588904605 984531338 /nfs/dbraw/zinc/53/13/38/984531338.db2.gz XHBAPNYYJLBIMY-ZDUSSCGKSA-N -1 0 345.447 2.592 20 30 EFEDRM C=CCn1c(SCC2(C(=O)[O-])CCOCC2)nnc1-c1ccco1 ZINC001588907639 984539856 /nfs/dbraw/zinc/53/98/56/984539856.db2.gz RKGWDBZWXHSPIQ-UHFFFAOYSA-N -1 0 349.412 2.698 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)c3csc(C(=O)[O-])n3)cc21 ZINC001588912059 984550417 /nfs/dbraw/zinc/55/04/17/984550417.db2.gz BUMMTFXHKZBQKK-UHFFFAOYSA-N -1 0 328.353 2.629 20 30 EFEDRM C=CCn1cnnc1Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001588912874 984553423 /nfs/dbraw/zinc/55/34/23/984553423.db2.gz QGLNRPKEOGZZGL-XQRVVYSFSA-N -1 0 332.341 2.621 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588914440 984558461 /nfs/dbraw/zinc/55/84/61/984558461.db2.gz WKMIJPJTNQKLMP-PMPSAXMXSA-N -1 0 346.427 2.871 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001588916233 984558908 /nfs/dbraw/zinc/55/89/08/984558908.db2.gz BEHVLRHMHPDWOV-KJPHAFAOSA-N -1 0 329.396 2.571 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588916435 984560495 /nfs/dbraw/zinc/56/04/95/984560495.db2.gz MLLPJPNAZLFFGJ-KCJUWKMLSA-N -1 0 340.173 2.677 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001588916616 984562208 /nfs/dbraw/zinc/56/22/08/984562208.db2.gz UYXJCWBKIFWSOO-SKDRFNHKSA-N -1 0 340.173 2.677 20 30 EFEDRM CC#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC001588925572 984587769 /nfs/dbraw/zinc/58/77/69/984587769.db2.gz SKYDZJYXGUDSFM-AWEZNQCLSA-N -1 0 333.384 2.529 20 30 EFEDRM CCOC(=O)c1ccc(NN=Cc2cccn2CC(=O)[O-])cc1C ZINC001596724406 984976961 /nfs/dbraw/zinc/97/69/61/984976961.db2.gz HEOSHGIIKQHCNS-UHFFFAOYSA-N -1 0 329.356 2.504 20 30 EFEDRM CC(=NNCCCOCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001589017028 984999435 /nfs/dbraw/zinc/99/94/35/984999435.db2.gz SMCRZFSBUJVQBM-UHFFFAOYSA-N -1 0 333.413 2.762 20 30 EFEDRM CC(=NO[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1cc2ccccc2o1 ZINC001589017452 985004004 /nfs/dbraw/zinc/00/40/04/985004004.db2.gz QGYKWMMLISFEFX-OAHLLOKOSA-N -1 0 344.367 2.639 20 30 EFEDRM CC(=NOCc1cc2n(n1)CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC001589020970 985008424 /nfs/dbraw/zinc/00/84/24/985008424.db2.gz HYAIOKUSKASSJV-UHFFFAOYSA-N -1 0 343.383 2.624 20 30 EFEDRM CC(=NOCc1noc(C(C)C)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021682 985013064 /nfs/dbraw/zinc/01/30/64/985013064.db2.gz SCOMKWXNWATHLV-UHFFFAOYSA-N -1 0 333.344 2.597 20 30 EFEDRM C[C@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@]1(C)C(=O)[O-] ZINC001599932023 985332311 /nfs/dbraw/zinc/33/23/11/985332311.db2.gz WGSJYLRDDFBYRX-SGTLLEGYSA-N -1 0 338.367 2.688 20 30 EFEDRM Cc1[nH]c(C(=O)CNC2(c3cccc(C#N)c3)CC2)c(C)c1C(=O)[O-] ZINC001599946278 985533219 /nfs/dbraw/zinc/53/32/19/985533219.db2.gz CARVIPYGDRMYAD-UHFFFAOYSA-N -1 0 337.379 2.663 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)CCc1cccc(C#N)c1 ZINC001599955816 985687579 /nfs/dbraw/zinc/68/75/79/985687579.db2.gz HHUMAEXHKKINKC-UHFFFAOYSA-N -1 0 325.368 2.516 20 30 EFEDRM Cc1[nH]c2c(cccc2C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C ZINC001599965334 985892775 /nfs/dbraw/zinc/89/27/75/985892775.db2.gz ALKKXOSPZPJDDR-UHFFFAOYSA-N -1 0 325.368 2.615 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589273370 985973143 /nfs/dbraw/zinc/97/31/43/985973143.db2.gz BMQMVNMIVVVDBE-HXUWFJFHSA-N -1 0 334.375 2.994 20 30 EFEDRM Cc1c(Br)c(C(=O)[O-])nn1CN(C)c1ccc(C#N)cc1 ZINC001599970127 985991846 /nfs/dbraw/zinc/99/18/46/985991846.db2.gz NGZSUVAXSYKMCZ-UHFFFAOYSA-N -1 0 349.188 2.618 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001599973047 986041343 /nfs/dbraw/zinc/04/13/43/986041343.db2.gz FUFPHHQSMCIUAM-KRWDZBQOSA-N -1 0 336.347 2.527 20 30 EFEDRM Cc1c(C#N)c(NC(=O)Cc2ccc(C(=O)[O-])cc2)n2ccccc12 ZINC001599973429 986047289 /nfs/dbraw/zinc/04/72/89/986047289.db2.gz SRMHAPFBYDWHLX-UHFFFAOYSA-N -1 0 333.347 2.999 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599973512 986050419 /nfs/dbraw/zinc/05/04/19/986050419.db2.gz XLTXXSJRJFCYAB-KBXCAEBGSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001599973549 986050752 /nfs/dbraw/zinc/05/07/52/986050752.db2.gz YVUAFOHNFDKBJW-GOSISDBHSA-N -1 0 347.374 2.774 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599973514 986050934 /nfs/dbraw/zinc/05/09/34/986050934.db2.gz XLTXXSJRJFCYAB-KSSFIOAISA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001599974421 986065272 /nfs/dbraw/zinc/06/52/72/986065272.db2.gz BPXKMKJAWGECQV-UHFFFAOYSA-N -1 0 328.328 2.610 20 30 EFEDRM Cc1c2cccc(F)c2oc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599976174 986094716 /nfs/dbraw/zinc/09/47/16/986094716.db2.gz PKSKMBYNKAXSMH-UHFFFAOYSA-N -1 0 330.315 2.711 20 30 EFEDRM CCOCc1nc(C)cc(N=NCc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001596952761 986126284 /nfs/dbraw/zinc/12/62/84/986126284.db2.gz YJGAEYACLKFQBR-UHFFFAOYSA-N -1 0 328.372 2.774 20 30 EFEDRM Cc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cnn1CCC#N ZINC001599979883 986148248 /nfs/dbraw/zinc/14/82/48/986148248.db2.gz BVXIXZKYBKYGMU-MRXNPFEDSA-N -1 0 346.431 2.506 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001589330483 986173627 /nfs/dbraw/zinc/17/36/27/986173627.db2.gz GTXJRDHTUANZNM-NSHDSACASA-N -1 0 340.339 2.853 20 30 EFEDRM C[C@H](C#N)CN(Cc1oc(Br)cc1C(=O)[O-])C1CC1 ZINC001589330626 986175857 /nfs/dbraw/zinc/17/58/57/986175857.db2.gz LDWJDSWCIXYKHX-MRVPVSSYSA-N -1 0 327.178 2.864 20 30 EFEDRM C[C@H](C#N)CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C1CC1 ZINC001589330718 986177268 /nfs/dbraw/zinc/17/72/68/986177268.db2.gz OETKLVOHABIZRL-LLVKDONJSA-N -1 0 325.368 2.673 20 30 EFEDRM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001589331316 986184423 /nfs/dbraw/zinc/18/44/23/986184423.db2.gz ARKQSWWSNXBOOK-LLVKDONJSA-N -1 0 344.392 2.603 20 30 EFEDRM Cc1c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cnn1CCC#N ZINC001599983524 986197624 /nfs/dbraw/zinc/19/76/24/986197624.db2.gz FALCZUQCSXFIQY-LBPRGKRZSA-N -1 0 340.383 2.621 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001589334569 986203409 /nfs/dbraw/zinc/20/34/09/986203409.db2.gz GSQPJNUFGSVGAW-STQMWFEESA-N -1 0 343.383 2.696 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589334776 986204561 /nfs/dbraw/zinc/20/45/61/986204561.db2.gz KBTZTTLBHXEBBL-DWQUBVKVSA-N -1 0 343.383 2.839 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589334786 986206083 /nfs/dbraw/zinc/20/60/83/986206083.db2.gz KILCNTRDLZTINR-FRRDWIJNSA-N -1 0 331.372 2.552 20 30 EFEDRM CCOc1cc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)ccc1OC ZINC001597033597 986463577 /nfs/dbraw/zinc/46/35/77/986463577.db2.gz YQYIDFDKRDMFCW-XYOKQWHBSA-N -1 0 342.351 2.659 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001597055757 986535014 /nfs/dbraw/zinc/53/50/14/986535014.db2.gz HSPPWXQSYLLXEC-CYBMUJFWSA-N -1 0 331.372 2.579 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001597055988 986538417 /nfs/dbraw/zinc/53/84/17/986538417.db2.gz OCAAKVBCUXQCRR-QWHCGFSZSA-N -1 0 331.372 2.722 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001597056225 986541787 /nfs/dbraw/zinc/54/17/87/986541787.db2.gz YFMSZUNYFRUMKG-AWEZNQCLSA-N -1 0 333.388 2.968 20 30 EFEDRM CCOc1ccc(C=NOCC(=O)c2cc(C(=O)[O-])[nH]c2C)cc1 ZINC001597082244 986633785 /nfs/dbraw/zinc/63/37/85/986633785.db2.gz CDQFBNINRYJTIY-UHFFFAOYSA-N -1 0 330.340 2.653 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)CS[C@@H](C)C(=O)[O-])cc1 ZINC001597106758 986750113 /nfs/dbraw/zinc/75/01/13/986750113.db2.gz UAVJFOYJQJJCBS-LBPRGKRZSA-N -1 0 336.413 2.538 20 30 EFEDRM C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445861 986817893 /nfs/dbraw/zinc/81/78/93/986817893.db2.gz XZHXSAIXEZLEAR-ZDUSSCGKSA-N -1 0 349.390 2.642 20 30 EFEDRM CCOc1ccc(O)c(/C=N/C[C@@H](Oc2ccccc2)C(=O)[O-])c1 ZINC001597130940 986855214 /nfs/dbraw/zinc/85/52/14/986855214.db2.gz ZTHGQFUMZNMOPM-HDZGYNCQSA-N -1 0 329.352 2.742 20 30 EFEDRM CCOc1ccc(O)c(/C=N\C[C@@H](Oc2ccccc2)C(=O)[O-])c1 ZINC001597130941 986855273 /nfs/dbraw/zinc/85/52/73/986855273.db2.gz ZTHGQFUMZNMOPM-HPKGMJOESA-N -1 0 329.352 2.742 20 30 EFEDRM C[C@H](C(=O)[O-])N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589469803 986948013 /nfs/dbraw/zinc/94/80/13/986948013.db2.gz YWQSPXMWILHLQD-LLVKDONJSA-N -1 0 339.313 2.911 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)CSCc1ccc(C#N)cc1)C1CCC1 ZINC001589473153 986972469 /nfs/dbraw/zinc/97/24/69/986972469.db2.gz XKQLEOMXLCRZCV-LBPRGKRZSA-N -1 0 332.425 2.646 20 30 EFEDRM CCOc1nccc(C)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597197700 987092388 /nfs/dbraw/zinc/09/23/88/987092388.db2.gz LTGGZMPCRNFRGF-HNNXBMFYSA-N -1 0 340.335 2.643 20 30 EFEDRM CC[C@@H](C#N)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001594722398 987212387 /nfs/dbraw/zinc/21/23/87/987212387.db2.gz OOEAZLQTDZNWGI-LURJTMIESA-N -1 0 343.202 2.601 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001594722621 987214984 /nfs/dbraw/zinc/21/49/84/987214984.db2.gz RHZQEVDQFIKWCN-CABZTGNLSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589554793 987303238 /nfs/dbraw/zinc/30/32/38/987303238.db2.gz NVSMGMDPRMCIEP-UHFFFAOYSA-N -1 0 340.177 2.819 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001589558156 987309195 /nfs/dbraw/zinc/30/91/95/987309195.db2.gz NBOZXZANJOXLQL-UHFFFAOYSA-N -1 0 341.367 2.839 20 30 EFEDRM CC(C)(C#N)c1ccccc1COC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001589561027 987319198 /nfs/dbraw/zinc/31/91/98/987319198.db2.gz YUBNPTZAAJZBBO-GOEBONIOSA-N -1 0 345.395 2.943 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC001589610217 987456821 /nfs/dbraw/zinc/45/68/21/987456821.db2.gz NUMQUMANRYKPAZ-INIZCTEOSA-N -1 0 343.427 2.785 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001589611371 987462895 /nfs/dbraw/zinc/46/28/95/987462895.db2.gz HUGOKXIYJQVTNX-CYBMUJFWSA-N -1 0 345.399 2.944 20 30 EFEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C2(C#N)CCSCC2)c1 ZINC001589644471 987579142 /nfs/dbraw/zinc/57/91/42/987579142.db2.gz XSMPXEPFVMNTJE-UHFFFAOYSA-N -1 0 333.409 2.991 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccccc2OCC#N)n1 ZINC001589657142 987628775 /nfs/dbraw/zinc/62/87/75/987628775.db2.gz PULONQRCENRCEN-UHFFFAOYSA-N -1 0 345.380 2.660 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cccc(SCC#N)c2)n1 ZINC001589677831 987699586 /nfs/dbraw/zinc/69/95/86/987699586.db2.gz KLWQHBMOITYPTD-UHFFFAOYSA-N -1 0 344.396 2.571 20 30 EFEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(F)cc1OCC#N ZINC001589702492 987799955 /nfs/dbraw/zinc/79/99/55/987799955.db2.gz JAMFBHQAJUGDFP-CYBMUJFWSA-N -1 0 337.351 2.739 20 30 EFEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cc(C#N)c(F)cc1F ZINC001589703121 987804915 /nfs/dbraw/zinc/80/49/15/987804915.db2.gz VBVNLAVNCWMZLO-LBPRGKRZSA-N -1 0 325.315 2.847 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597494705 988037029 /nfs/dbraw/zinc/03/70/29/988037029.db2.gz GUMPAAIFKNKSFU-SFHVURJKSA-N -1 0 327.424 2.998 20 30 EFEDRM CSCc1cnc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)s1 ZINC001599804163 988226894 /nfs/dbraw/zinc/22/68/94/988226894.db2.gz FEHBVTBVDRDQKM-YWEYNIOJSA-N -1 0 335.410 2.571 20 30 EFEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001597543208 988238779 /nfs/dbraw/zinc/23/87/79/988238779.db2.gz WWOBOZQSZBLIKJ-ZDUSSCGKSA-N -1 0 326.308 2.501 20 30 EFEDRM CCc1ccc(NCC(=O)NCc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001597552396 988280648 /nfs/dbraw/zinc/28/06/48/988280648.db2.gz YKPBRHSNNYGZBL-UHFFFAOYSA-N -1 0 337.379 2.547 20 30 EFEDRM CSc1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1C#N ZINC001599813022 988371134 /nfs/dbraw/zinc/37/11/34/988371134.db2.gz HRUHUQCYSYQYET-UHFFFAOYSA-N -1 0 344.436 2.931 20 30 EFEDRM CSc1ccc(NC(=O)COc2ccccc2C#N)cc1C(=O)[O-] ZINC001599815671 988419318 /nfs/dbraw/zinc/41/93/18/988419318.db2.gz QTEQMIIYYXEDDQ-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM CCc1ncnc(CC)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001597706440 988951701 /nfs/dbraw/zinc/95/17/01/988951701.db2.gz QGHHRMHSUBOVLT-UHFFFAOYSA-N -1 0 339.351 2.528 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001599855687 989084390 /nfs/dbraw/zinc/08/43/90/989084390.db2.gz NYOVYFJHRSENIN-BMFZPTHFSA-N -1 0 329.400 2.784 20 30 EFEDRM CCc1noc([C@H](C)ON=C(C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001597741307 989097643 /nfs/dbraw/zinc/09/76/43/989097643.db2.gz YCWJLOPABZMDLG-NSHDSACASA-N -1 0 333.344 2.597 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1Cn1c(C(F)(F)F)ccc(C#N)c1=O ZINC001597772769 989241480 /nfs/dbraw/zinc/24/14/80/989241480.db2.gz CPAUWZBURLIDME-UHFFFAOYSA-N -1 0 340.257 2.641 20 30 EFEDRM CCc1oc(CN=Nc2nnc(-c3ccccn3)s2)cc1C(=O)[O-] ZINC001597792600 989331990 /nfs/dbraw/zinc/33/19/90/989331990.db2.gz APKJUFXLUHAXMT-UHFFFAOYSA-N -1 0 343.368 2.900 20 30 EFEDRM CCc1oc(C=NNc2ccc(C(=O)OC)cc2OC)cc1C(=O)[O-] ZINC001597793280 989342573 /nfs/dbraw/zinc/34/25/73/989342573.db2.gz ZLUHTRBZIMGILL-UHFFFAOYSA-N -1 0 346.339 2.781 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)C(C)(C)CC3)O[C@H]1C(=O)[O-] ZINC001599876776 989429040 /nfs/dbraw/zinc/42/90/40/989429040.db2.gz OPMAVVHPFNYWRV-ZDSQKVDBSA-N -1 0 348.424 2.660 20 30 EFEDRM CCn1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C1CC1 ZINC001597928093 989880713 /nfs/dbraw/zinc/88/07/13/989880713.db2.gz XNOOQOGSSWIADG-INIZCTEOSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597928768 989885571 /nfs/dbraw/zinc/88/55/71/989885571.db2.gz WEWOAVYSLTVNEZ-INIZCTEOSA-N -1 0 341.367 2.881 20 30 EFEDRM CC(C)(C)OCc1cc(CNc2ccc(C(=O)[O-])nc2C#N)no1 ZINC001590396765 989923951 /nfs/dbraw/zinc/92/39/51/989923951.db2.gz ZOLOQNVIOPWFDL-UHFFFAOYSA-N -1 0 330.344 2.567 20 30 EFEDRM CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001597990205 990080332 /nfs/dbraw/zinc/08/03/32/990080332.db2.gz LTRRHMOOSLXNHN-UHFFFAOYSA-N -1 0 345.380 2.533 20 30 EFEDRM CN(C(=O)[C@H](CC#N)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001597990485 990082751 /nfs/dbraw/zinc/08/27/51/990082751.db2.gz OCDJQAUQCHMKHH-QGZVFWFLSA-N -1 0 338.363 2.810 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590589357 990241148 /nfs/dbraw/zinc/24/11/48/990241148.db2.gz WJIAYEWIVQVLAI-ACJLOTCBSA-N -1 0 344.415 2.976 20 30 EFEDRM CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061259 990332479 /nfs/dbraw/zinc/33/24/79/990332479.db2.gz BRWBOQBUALOMAV-RHNCMZPLSA-N -1 0 349.390 2.808 20 30 EFEDRM CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)CC(=O)[O-] ZINC001590708750 990463717 /nfs/dbraw/zinc/46/37/17/990463717.db2.gz ZYMTVGQGQOMCRS-UHFFFAOYSA-N -1 0 332.400 2.724 20 30 EFEDRM CC(C)(CO)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccccc1 ZINC001590778866 990583403 /nfs/dbraw/zinc/58/34/03/990583403.db2.gz DSUZTNPZMUTANU-AWEZNQCLSA-N -1 0 339.395 2.866 20 30 EFEDRM CC(C)(CS[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)[O-] ZINC001590812522 990646539 /nfs/dbraw/zinc/64/65/39/990646539.db2.gz YHXGAPRAIXGTKT-CQSZACIVSA-N -1 0 332.425 2.898 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590905350 990868695 /nfs/dbraw/zinc/86/86/95/990868695.db2.gz VEPVNEUHCWPLRR-UHFFFAOYSA-N -1 0 344.392 2.792 20 30 EFEDRM CC(C)C#CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001590926894 990927986 /nfs/dbraw/zinc/92/79/86/990927986.db2.gz KUPYNOFVRPONJM-CYBMUJFWSA-N -1 0 343.301 2.877 20 30 EFEDRM COc1cccc([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C(=O)[O-])c1 ZINC001599687161 991005719 /nfs/dbraw/zinc/00/57/19/991005719.db2.gz WQBDKMOSWGCGFO-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccsc2C(=O)[O-])c1 ZINC001598287673 991190350 /nfs/dbraw/zinc/19/03/50/991190350.db2.gz IWNGXHXNKGFHNR-UHFFFAOYSA-N -1 0 330.365 2.741 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001598287960 991192006 /nfs/dbraw/zinc/19/20/06/991192006.db2.gz NNAQPEWJHNYJQO-UHFFFAOYSA-N -1 0 337.379 2.894 20 30 EFEDRM COc1ccccc1C[C@](C)(OC(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001599705847 991291787 /nfs/dbraw/zinc/29/17/87/991291787.db2.gz ZPGOPKTVUJNGCL-KRWDZBQOSA-N -1 0 345.376 2.871 20 30 EFEDRM COc1ccccc1C[C@@H](CNc1nc(C)ccc1C#N)C(=O)[O-] ZINC001599707896 991321061 /nfs/dbraw/zinc/32/10/61/991321061.db2.gz SDOPBZBJZWSOIO-HNNXBMFYSA-N -1 0 325.368 2.626 20 30 EFEDRM COc1ccccc1C[C@@H](CNc1snc(C)c1C#N)C(=O)[O-] ZINC001599710108 991356581 /nfs/dbraw/zinc/35/65/81/991356581.db2.gz HKJFQFKURNUZPR-LBPRGKRZSA-N -1 0 331.397 2.687 20 30 EFEDRM CN(C)c1ccccc1CNN=Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598342598 991415727 /nfs/dbraw/zinc/41/57/27/991415727.db2.gz SVOWMMZNJMLZJG-UHFFFAOYSA-N -1 0 340.427 2.712 20 30 EFEDRM COc1nc(C)cc(C)c1CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599729284 991683542 /nfs/dbraw/zinc/68/35/42/991683542.db2.gz QWDXGQGRJUHNFN-KRWDZBQOSA-N -1 0 339.395 2.836 20 30 EFEDRM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1CCC[C@H]1C#N ZINC001598419440 991752911 /nfs/dbraw/zinc/75/29/11/991752911.db2.gz HFSMPDUFBRSMDT-BLLLJJGKSA-N -1 0 325.368 2.673 20 30 EFEDRM CN(CCC#N)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001598468811 991992219 /nfs/dbraw/zinc/99/22/19/991992219.db2.gz RJXKMBMGMDVPRK-NSHDSACASA-N -1 0 329.278 2.543 20 30 EFEDRM CC(C)CCN(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001591245212 992134058 /nfs/dbraw/zinc/13/40/58/992134058.db2.gz FILDLNLDXHQCCE-UHFFFAOYSA-N -1 0 344.477 2.613 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC001599770753 992241306 /nfs/dbraw/zinc/24/13/06/992241306.db2.gz WORUKQZHHWBRDT-QPJJXVBHSA-N -1 0 336.390 2.746 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC001591310391 992272516 /nfs/dbraw/zinc/27/25/16/992272516.db2.gz XQNPFAQEXJQUFS-CQSZACIVSA-N -1 0 346.427 2.921 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001591342826 992322507 /nfs/dbraw/zinc/32/25/07/992322507.db2.gz MKLKRRYXXOBPBF-UHFFFAOYSA-N -1 0 339.395 2.893 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001598509202 992546949 /nfs/dbraw/zinc/54/69/49/992546949.db2.gz HRHQZSXZVIXWNV-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCC1CCC(C#N)CC1 ZINC001598511408 992570401 /nfs/dbraw/zinc/57/04/01/992570401.db2.gz MLMJFEQAURBXTH-UHFFFAOYSA-N -1 0 329.400 2.856 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001598514327 992602842 /nfs/dbraw/zinc/60/28/42/992602842.db2.gz HJBHJPBYGQXMFZ-UHFFFAOYSA-N -1 0 337.379 2.588 20 30 EFEDRM CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507770 992659823 /nfs/dbraw/zinc/65/98/23/992659823.db2.gz HYDNUQSWKUXSNR-LSDHHAIUSA-N -1 0 345.447 2.642 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598519891 992666641 /nfs/dbraw/zinc/66/66/41/992666641.db2.gz NYZXMMDMCHKMIY-FXAWDEMLSA-N -1 0 334.375 2.775 20 30 EFEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H]1COc2ccccc2O1 ZINC001598527084 992733341 /nfs/dbraw/zinc/73/33/41/992733341.db2.gz HHOCKBXWELMQKS-AWEZNQCLSA-N -1 0 338.363 2.528 20 30 EFEDRM CC(C)N(C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591562622 992770262 /nfs/dbraw/zinc/77/02/62/992770262.db2.gz YCYOOIANTWGLGQ-UHFFFAOYSA-N -1 0 336.413 2.598 20 30 EFEDRM COc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1SC ZINC001599592063 993697677 /nfs/dbraw/zinc/69/76/77/993697677.db2.gz OWDXYZMFFGVHOY-UHFFFAOYSA-N -1 0 349.412 2.639 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593116215 993807290 /nfs/dbraw/zinc/80/72/90/993807290.db2.gz YTYOYWJMJJDLNT-ZETCQYMHSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593117932 993820975 /nfs/dbraw/zinc/82/09/75/993820975.db2.gz BADLYXFZTSIXIP-VIFPVBQESA-N -1 0 346.368 2.626 20 30 EFEDRM COc1ccc(OCCSc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599606855 993898179 /nfs/dbraw/zinc/89/81/79/993898179.db2.gz ODQBXRWLIPRTIT-UHFFFAOYSA-N -1 0 330.365 2.831 20 30 EFEDRM C[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593156387 993974179 /nfs/dbraw/zinc/97/41/79/993974179.db2.gz JMASNTHUGQHMLR-NSHDSACASA-N -1 0 342.326 2.652 20 30 EFEDRM C[C@@](NC(=O)c1cc(F)c(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001593156556 993975530 /nfs/dbraw/zinc/97/55/30/993975530.db2.gz SWTYRQBCDLHJBH-KRWDZBQOSA-N -1 0 330.290 2.566 20 30 EFEDRM C[C@@H](NC(=O)c1cccc(F)c1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593175151 994042879 /nfs/dbraw/zinc/04/28/79/994042879.db2.gz FIMSKISBNDNGDD-LLVKDONJSA-N -1 0 342.326 2.652 20 30 EFEDRM C[C@H](NC(=O)c1sccc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593188328 994099723 /nfs/dbraw/zinc/09/97/23/994099723.db2.gz ARSVVZXAXIRHSA-SMDDNHRTSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@@H](NC(=O)c1cscc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593188681 994102391 /nfs/dbraw/zinc/10/23/91/994102391.db2.gz GRGFCUCTKYWSRR-RISCZKNCSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@H](NC(=S)NN=Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC001593189018 994108078 /nfs/dbraw/zinc/10/80/78/994108078.db2.gz CIBUSQRWMIOOFS-QMMMGPOBSA-N -1 0 325.821 2.635 20 30 EFEDRM COc1ccc2c(c1)OCCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599630970 994218163 /nfs/dbraw/zinc/21/81/63/994218163.db2.gz WJNFLLFNRGQOBU-SFHVURJKSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2sccc2CC#N)c1 ZINC001599646597 994433795 /nfs/dbraw/zinc/43/37/95/994433795.db2.gz AXDHAYIYRVLXJW-CQSZACIVSA-N -1 0 344.392 2.721 20 30 EFEDRM COc1cccc(CC(=O)[O-])c1OCCOc1ccc(C#N)cc1 ZINC001599666072 994731155 /nfs/dbraw/zinc/73/11/55/994731155.db2.gz URROTPDBKJMQGG-UHFFFAOYSA-N -1 0 327.336 2.652 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001598678348 994885056 /nfs/dbraw/zinc/88/50/56/994885056.db2.gz RDEQTLVHCGIUPR-UHFFFAOYSA-N -1 0 327.384 2.964 20 30 EFEDRM C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365776 995044614 /nfs/dbraw/zinc/04/46/14/995044614.db2.gz JHNWOAWUMAHOCQ-APHBMKBZSA-N -1 0 341.411 2.791 20 30 EFEDRM C[C@@H](O)CN(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001593456755 995360803 /nfs/dbraw/zinc/36/08/03/995360803.db2.gz MBMBGTAXZUAYAF-CQSZACIVSA-N -1 0 342.395 2.610 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C(=O)Nc1ccccc1C#N ZINC001593579177 995693486 /nfs/dbraw/zinc/69/34/86/995693486.db2.gz VDPSLQAAOGWBPH-SECBINFHSA-N -1 0 344.348 2.502 20 30 EFEDRM C[C@@H](ON=C(N)COc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001593610576 995803089 /nfs/dbraw/zinc/80/30/89/995803089.db2.gz CVWLHQBVCWUFDK-GFCCVEGCSA-N -1 0 339.351 2.895 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2sccc2C#N)cc1F)C(=O)[O-] ZINC001593633912 995924157 /nfs/dbraw/zinc/92/41/57/995924157.db2.gz KYLDKFYVPFDVGJ-MRVPVSSYSA-N -1 0 334.328 2.863 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2cccc(CC#N)c2)cc1F)C(=O)[O-] ZINC001593634434 995925908 /nfs/dbraw/zinc/92/59/08/995925908.db2.gz RZLNRZMKGOKQLE-NSHDSACASA-N -1 0 342.326 2.996 20 30 EFEDRM C[C@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC001593679883 996104450 /nfs/dbraw/zinc/10/44/50/996104450.db2.gz PGSPHCJHZZRPNI-NSHDSACASA-N -1 0 344.396 2.535 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001593690990 996136879 /nfs/dbraw/zinc/13/68/79/996136879.db2.gz WBDWNQZLNHGQHK-AWEZNQCLSA-N -1 0 339.395 2.728 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593698404 996163791 /nfs/dbraw/zinc/16/37/91/996163791.db2.gz JKYBMTKEIFRFRV-YGONEPDPSA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001593724567 996266721 /nfs/dbraw/zinc/26/67/21/996266721.db2.gz HHWLZMVIUWAVHQ-LLVKDONJSA-N -1 0 326.356 2.580 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001593769560 996456711 /nfs/dbraw/zinc/45/67/11/996456711.db2.gz SETQNAXPSOSTQN-LPHOPBHVSA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC001593770678 996460226 /nfs/dbraw/zinc/46/02/26/996460226.db2.gz FAVUETAUHZDAPE-INIZCTEOSA-N -1 0 335.791 2.608 20 30 EFEDRM CC1(C(=O)[O-])CN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC001593804972 996533496 /nfs/dbraw/zinc/53/34/96/996533496.db2.gz OZWBCDLJDRKIJN-UHFFFAOYSA-N -1 0 336.347 2.897 20 30 EFEDRM CC1(C)C[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C(C)(C)O1 ZINC001593848247 996619010 /nfs/dbraw/zinc/61/90/10/996619010.db2.gz NAWHGHOMGNPPQD-ZIAGYGMSSA-N -1 0 331.368 2.821 20 30 EFEDRM CC1(C)CCC[C@@](NC(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1 ZINC001593891442 996736599 /nfs/dbraw/zinc/73/65/99/996736599.db2.gz CWQDYQUKYXJRDI-KRWDZBQOSA-N -1 0 336.338 2.990 20 30 EFEDRM COC[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc(F)cc1 ZINC001599177307 996874509 /nfs/dbraw/zinc/87/45/09/996874509.db2.gz XSUSGVPGYYCRBR-QGZVFWFLSA-N -1 0 328.343 2.873 20 30 EFEDRM COc1cc(C)c(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1OC ZINC001599390669 997029178 /nfs/dbraw/zinc/02/91/78/997029178.db2.gz ITCVJLBETSDQRJ-YRNVUSSQSA-N -1 0 342.351 2.577 20 30 EFEDRM COCc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC001599294814 997122262 /nfs/dbraw/zinc/12/22/62/997122262.db2.gz LPCCPDWFAJUPPI-QGZVFWFLSA-N -1 0 326.352 2.951 20 30 EFEDRM COCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC001599294813 997122291 /nfs/dbraw/zinc/12/22/91/997122291.db2.gz LPCCPDWFAJUPPI-KRWDZBQOSA-N -1 0 326.352 2.951 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1COC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001599501337 997128216 /nfs/dbraw/zinc/12/82/16/997128216.db2.gz SQRWTHRZGXWRPX-SFHVURJKSA-N -1 0 329.352 2.911 20 30 EFEDRM COCc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599296861 997159832 /nfs/dbraw/zinc/15/98/32/997159832.db2.gz GFGWJQKWTSHWGE-CYBMUJFWSA-N -1 0 331.349 2.749 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1(C#N)CCSCC1 ZINC001599397970 997162102 /nfs/dbraw/zinc/16/21/02/997162102.db2.gz GJCIJAWHPRPYLV-HWKANZROSA-N -1 0 347.392 2.735 20 30 EFEDRM COCc1nc(NC(=O)CC2(C#N)CCCCC2)sc1C(=O)[O-] ZINC001599304003 997282360 /nfs/dbraw/zinc/28/23/60/997282360.db2.gz GMKIYLGWRYQPNO-UHFFFAOYSA-N -1 0 337.401 2.790 20 30 EFEDRM COCc1nc(NC(=O)/C=C/c2ccccc2C#N)sc1C(=O)[O-] ZINC001599304921 997297807 /nfs/dbraw/zinc/29/78/07/997297807.db2.gz WXLOHZMZSOKTJD-VOTSOKGWSA-N -1 0 343.364 2.511 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(CC#N)cc2)ccc1C(=O)[O-] ZINC001599413040 997457448 /nfs/dbraw/zinc/45/74/48/997457448.db2.gz YYNWCVVXQOTJJH-UHFFFAOYSA-N -1 0 339.351 2.781 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001599320464 997572017 /nfs/dbraw/zinc/57/20/17/997572017.db2.gz GDKLAFVUCBERTI-UHFFFAOYSA-N -1 0 327.340 2.629 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599320589 997574402 /nfs/dbraw/zinc/57/44/02/997574402.db2.gz KSMADHWYAQLOHI-MRXNPFEDSA-N -1 0 332.400 2.820 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599320586 997574559 /nfs/dbraw/zinc/57/45/59/997574559.db2.gz KSMADHWYAQLOHI-INIZCTEOSA-N -1 0 332.400 2.820 20 30 EFEDRM CON=Cc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001599321242 997585128 /nfs/dbraw/zinc/58/51/28/997585128.db2.gz WGKCVEAXHCQGJL-UHFFFAOYSA-N -1 0 338.363 2.564 20 30 EFEDRM COCC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)o1 ZINC001599217970 997615954 /nfs/dbraw/zinc/61/59/54/997615954.db2.gz OIMRDHNQUDWNCJ-NVXWUHKLSA-N -1 0 328.368 2.953 20 30 EFEDRM COc1ccc([C@@H](NCc2nc(C#N)cs2)C(=O)[O-])cc1Cl ZINC001599530569 997643714 /nfs/dbraw/zinc/64/37/14/997643714.db2.gz GTVIJCKPZJHHOU-CYBMUJFWSA-N -1 0 337.788 2.592 20 30 EFEDRM C[C@@]1(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055450 997784444 /nfs/dbraw/zinc/78/44/44/997784444.db2.gz BQJNXPADYCSHQA-RDTXWAMCSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1ccc([C@@H]2CCN(c3ccc(C(=O)[O-])nc3C#N)C2)cc1F ZINC001599540045 997822493 /nfs/dbraw/zinc/82/24/93/997822493.db2.gz DUNXGSQQKSZAJX-GFCCVEGCSA-N -1 0 341.342 2.793 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)c(C(=O)[O-])cc1OC ZINC001599436171 997850385 /nfs/dbraw/zinc/85/03/85/997850385.db2.gz XJOADCKJBSKWFO-QGZVFWFLSA-N -1 0 347.371 2.560 20 30 EFEDRM COC(=O)c1cc(N=Cc2cc(OC)ccc2O)cc(C(=O)[O-])c1 ZINC001598937343 997894859 /nfs/dbraw/zinc/89/48/59/997894859.db2.gz DOKVBKAHINWYLE-UHFFFAOYSA-N -1 0 329.308 2.636 20 30 EFEDRM COc1cc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c(F)cc1C#N ZINC001599438877 997897958 /nfs/dbraw/zinc/89/79/58/997897958.db2.gz YRIXVSWUHYLEIT-UHFFFAOYSA-N -1 0 349.362 2.863 20 30 EFEDRM COc1c(NC(=O)NCc2ccc(C#N)s2)cccc1C(=O)[O-] ZINC001599339942 997904940 /nfs/dbraw/zinc/90/49/40/997904940.db2.gz ZEVKNWDTBGRDKL-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM CO[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599129999 997924298 /nfs/dbraw/zinc/92/42/98/997924298.db2.gz HAMPXNHQBRYARL-HOCLYGCPSA-N -1 0 341.329 2.621 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C#N)s1 ZINC001599546156 997925904 /nfs/dbraw/zinc/92/59/04/997925904.db2.gz LPJLOGBGLMYVNP-XVNBXDOJSA-N -1 0 329.333 2.945 20 30 EFEDRM COc1cc(C#N)ccc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001599347976 998043080 /nfs/dbraw/zinc/04/30/80/998043080.db2.gz NZJAHLDZGKUDAC-UHFFFAOYSA-N -1 0 338.363 2.660 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)CCc1ccccc1C(=O)[O-] ZINC001599348456 998051579 /nfs/dbraw/zinc/05/15/79/998051579.db2.gz XNWGSLHTAJOINV-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599348930 998060058 /nfs/dbraw/zinc/06/00/58/998060058.db2.gz DSHKMVHPMITFJG-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599349088 998062012 /nfs/dbraw/zinc/06/20/12/998062012.db2.gz JAZDINZNXHLBKZ-OAHLLOKOSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599349095 998062146 /nfs/dbraw/zinc/06/21/46/998062146.db2.gz JTSXMDWIYKWESD-INIZCTEOSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001599349340 998066840 /nfs/dbraw/zinc/06/68/40/998066840.db2.gz PPQOQUNOMLVOGB-UHFFFAOYSA-N -1 0 343.364 2.531 20 30 EFEDRM COC(=O)c1cc(NCc2cn3ccccc3c2C#N)ccc1C(=O)[O-] ZINC001598948545 998101671 /nfs/dbraw/zinc/10/16/71/998101671.db2.gz XBNHTUFVJSOAAU-UHFFFAOYSA-N -1 0 349.346 2.908 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2cscc2C#N)C(=O)[O-])c1 ZINC001599451405 998108975 /nfs/dbraw/zinc/10/89/75/998108975.db2.gz DZNDIQWSOGGYIN-CQSZACIVSA-N -1 0 347.348 2.620 20 30 EFEDRM COC(=O)c1cc(OCCOc2ccccc2C#N)cc(C(=O)[O-])c1 ZINC001598949422 998120678 /nfs/dbraw/zinc/12/06/78/998120678.db2.gz GPFZZRUREOOHEI-UHFFFAOYSA-N -1 0 341.319 2.501 20 30 EFEDRM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1C#N ZINC001599353048 998130000 /nfs/dbraw/zinc/13/00/00/998130000.db2.gz HKIUGSXYBBRQEL-GFCCVEGCSA-N -1 0 330.365 2.574 20 30 EFEDRM COc1cc(OC)cc([C@H](C(=O)[O-])N2Cc3cccc(C#N)c3C2)c1 ZINC001599453646 998150491 /nfs/dbraw/zinc/15/04/91/998150491.db2.gz QRVHCIZYEVGOST-GOSISDBHSA-N -1 0 338.363 2.717 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CN[C@H](c2cccc(C#N)c2)C(F)(F)F)O1 ZINC001594105186 998157448 /nfs/dbraw/zinc/15/74/48/998157448.db2.gz UDSMCBJTSSKGIM-TZMCWYRMSA-N -1 0 340.301 2.899 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](CC#N)c2ccccc2)c1O ZINC001599357890 998209942 /nfs/dbraw/zinc/20/99/42/998209942.db2.gz FUPKQRTXXMBJKP-ZDUSSCGKSA-N -1 0 340.335 2.735 20 30 EFEDRM C[C@H]1/C(=C\c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120554 998271875 /nfs/dbraw/zinc/27/18/75/998271875.db2.gz OQGHHXRMYWGRGF-KMFAHORVSA-N -1 0 337.257 2.836 20 30 EFEDRM C[C@@H]1/C(=C/c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120552 998272172 /nfs/dbraw/zinc/27/21/72/998272172.db2.gz OQGHHXRMYWGRGF-GDRUQYFBSA-N -1 0 337.257 2.836 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#N)cc2C)c1OC ZINC001599362112 998277988 /nfs/dbraw/zinc/27/79/88/998277988.db2.gz GQDAYLUJQFXYGS-UHFFFAOYSA-N -1 0 340.335 2.834 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001599368737 998376933 /nfs/dbraw/zinc/37/69/33/998376933.db2.gz YBCKVVFDXWDHIU-UHFFFAOYSA-N -1 0 341.323 2.828 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1nc2ncccc2cc1C#N ZINC001599368875 998378585 /nfs/dbraw/zinc/37/85/85/998378585.db2.gz ZFOWIORHKWVVPA-UHFFFAOYSA-N -1 0 348.362 2.863 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1ccc(C(=O)[O-])n1C ZINC001599577514 998468782 /nfs/dbraw/zinc/46/87/82/998468782.db2.gz YTXDYAGOYWLRKI-UHFFFAOYSA-N -1 0 347.754 2.594 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001599377600 998513512 /nfs/dbraw/zinc/51/35/12/998513512.db2.gz GKDAGKIOQYJIRM-UHFFFAOYSA-N -1 0 337.331 2.902 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(C#N)cc1 ZINC001599378462 998527916 /nfs/dbraw/zinc/52/79/16/998527916.db2.gz NAIZJYDOURUYEZ-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM COC(=O)c1ccc(NCc2cn3ccccc3c2C#N)cc1C(=O)[O-] ZINC001598984736 998689381 /nfs/dbraw/zinc/68/93/81/998689381.db2.gz XOLZLAZJWKASGH-UHFFFAOYSA-N -1 0 349.346 2.908 20 30 EFEDRM COC(=O)c1cccc([C@H](Sc2cc(C#N)ccn2)C(=O)[O-])c1 ZINC001598993350 998756768 /nfs/dbraw/zinc/75/67/68/998756768.db2.gz VSYSMARUCYKBJH-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cccnc1SCc1cccc(C(=O)[O-])c1C#N ZINC001599005127 998849265 /nfs/dbraw/zinc/84/92/65/998849265.db2.gz UWKWNIGNWIJMOF-UHFFFAOYSA-N -1 0 328.349 2.730 20 30 EFEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCCC1(C#N)CCOCC1 ZINC001599028325 999031886 /nfs/dbraw/zinc/03/18/86/999031886.db2.gz ZNYRNQUXVGECTK-MRXNPFEDSA-N -1 0 333.384 2.938 20 30 EFEDRM C[C@@H]1C[C@@]2(C[C@H]2C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001594287741 999113502 /nfs/dbraw/zinc/11/35/02/999113502.db2.gz XFFDHGWANWOHOL-DJCROIMJSA-N -1 0 329.352 2.505 20 30 EFEDRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594293467 999132421 /nfs/dbraw/zinc/13/24/21/999132421.db2.gz VSXVHEMUGNXGDK-OSAQELSMSA-N -1 0 348.424 2.598 20 30 EFEDRM C[C@@H]1CCCc2ncc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)n21 ZINC001594387254 999465267 /nfs/dbraw/zinc/46/52/67/999465267.db2.gz BMZCSQFBTMJJBN-BZNIZROVSA-N -1 0 339.351 2.635 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001573303693 1087741985 /nfs/dbraw/zinc/74/19/85/1087741985.db2.gz QUVXSTLHADGBDI-GFCCVEGCSA-N -1 0 326.377 2.599 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCc2coc(C(C)C)n2)cc1C#N ZINC001646643849 1087983329 /nfs/dbraw/zinc/98/33/29/1087983329.db2.gz WKDRPGOAPSZNGE-UHFFFAOYSA-N -1 0 333.369 2.849 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC001647140198 1088982859 /nfs/dbraw/zinc/98/28/59/1088982859.db2.gz KPFSCUZZVNAQOD-OAHLLOKOSA-N -1 0 346.383 2.696 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001647199063 1089074561 /nfs/dbraw/zinc/07/45/61/1089074561.db2.gz OKAHBQQIURMJPI-UHFFFAOYSA-N -1 0 345.302 2.715 20 30 EFEDRM CCCCCCCNC(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001577504973 1090016568 /nfs/dbraw/zinc/01/65/68/1090016568.db2.gz HECBMMREUVRORZ-MRXNPFEDSA-N -1 0 342.447 2.604 20 30 EFEDRM C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001580310711 1090858107 /nfs/dbraw/zinc/85/81/07/1090858107.db2.gz IFTLJRYFVAGWDL-GFCCVEGCSA-N -1 0 333.351 2.585 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)c(C(C)C)n1 ZINC001581174574 1091085774 /nfs/dbraw/zinc/08/57/74/1091085774.db2.gz WVLXBHOITXUFDK-UHFFFAOYSA-N -1 0 347.382 2.818 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)nn2)c1C#N ZINC001650015325 1092882258 /nfs/dbraw/zinc/88/22/58/1092882258.db2.gz OJWRLRNWORUYJW-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM C=C(CC(C)C)C(=O)NC1(c2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001588442732 1092946876 /nfs/dbraw/zinc/94/68/76/1092946876.db2.gz QYFQGTIAFYLRNJ-UHFFFAOYSA-N -1 0 325.416 2.964 20 30 EFEDRM C=C(CNc1nnc(CC)c(CC)c1-c1nn[nH]n1)c1ccccc1 ZINC001588444126 1092946962 /nfs/dbraw/zinc/94/69/62/1092946962.db2.gz LPYKMAGJRRGXNW-UHFFFAOYSA-N -1 0 335.415 2.907 20 30 EFEDRM C=C1CC(C)(c2noc(C3(c4ccc(-c5nn[nH]n5)cc4)CC3)n2)C1 ZINC001588456330 1092947262 /nfs/dbraw/zinc/94/72/62/1092947262.db2.gz LNCYWTSZAZQUDN-UHFFFAOYSA-N -1 0 334.383 2.937 20 30 EFEDRM C=C1CC(c2noc(CSc3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC001588456904 1092947349 /nfs/dbraw/zinc/94/73/49/1092947349.db2.gz ZOXJDHQOPKNSTB-UHFFFAOYSA-N -1 0 326.385 2.976 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001588442536 1092948152 /nfs/dbraw/zinc/94/81/52/1092948152.db2.gz IQGZGOACLMMLTD-KBPBESRZSA-N -1 0 348.790 2.545 20 30 EFEDRM CC#CCCCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001588478725 1092948903 /nfs/dbraw/zinc/94/89/03/1092948903.db2.gz JSLBLWZTWHTNBG-UHFFFAOYSA-N -1 0 331.397 2.979 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588487451 1092950947 /nfs/dbraw/zinc/95/09/47/1092950947.db2.gz RGUYSVHPHAZYTP-UHFFFAOYSA-N -1 0 328.420 2.610 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC001588541768 1092955101 /nfs/dbraw/zinc/95/51/01/1092955101.db2.gz RVIONWAQNFGSRJ-CZUORRHYSA-N -1 0 343.431 2.741 20 30 EFEDRM C=CCCCN(CC)C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001588601238 1092966392 /nfs/dbraw/zinc/96/63/92/1092966392.db2.gz FWEJLUARICOMSA-MRXNPFEDSA-N -1 0 340.431 2.852 20 30 EFEDRM C=CCCN(Cc1ccnc(-c2nn[nH]n2)c1)OCc1ccccc1 ZINC001588603260 1092967096 /nfs/dbraw/zinc/96/70/96/1092967096.db2.gz JWVPJDDRKQFEGX-UHFFFAOYSA-N -1 0 336.399 2.772 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC001588629174 1092969827 /nfs/dbraw/zinc/96/98/27/1092969827.db2.gz AAFQLABXMOGMPP-UHFFFAOYSA-N -1 0 336.413 2.939 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccnc(F)c1 ZINC001588781154 1092992179 /nfs/dbraw/zinc/99/21/79/1092992179.db2.gz IMVKQUUGVKNFAC-UHFFFAOYSA-N -1 0 344.354 2.522 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1CC(F)(F)C1 ZINC001588781393 1092992987 /nfs/dbraw/zinc/99/29/87/1092992987.db2.gz ZQKMSZDEHVPIGI-UHFFFAOYSA-N -1 0 339.350 2.985 20 30 EFEDRM CC(=NNc1ccc(-c2nn[nH]n2)cc1)c1cc(C(=O)[O-])ccc1C ZINC001588780514 1092993825 /nfs/dbraw/zinc/99/38/25/1092993825.db2.gz CTFOVWKIISTCJR-UHFFFAOYSA-N -1 0 336.355 2.709 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)o2)s1 ZINC001589232628 1093052610 /nfs/dbraw/zinc/05/26/10/1093052610.db2.gz WGUGJEIXMDQCPR-QMMMGPOBSA-N -1 0 342.384 2.704 20 30 EFEDRM CC(C)[C@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)CS1 ZINC001589499867 1093095002 /nfs/dbraw/zinc/09/50/02/1093095002.db2.gz UWXZUZUKLYTLLT-SNVBAGLBSA-N -1 0 337.840 2.845 20 30 EFEDRM CC(C)O[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001589737527 1093129004 /nfs/dbraw/zinc/12/90/04/1093129004.db2.gz MGTYYSLBLQSCII-NSHDSACASA-N -1 0 347.423 2.970 20 30 EFEDRM C[C@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589914856 1093178381 /nfs/dbraw/zinc/17/83/81/1093178381.db2.gz VOZWFQPXVSIOEV-VJCPFXPRSA-N -1 0 338.327 2.661 20 30 EFEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000835374153 1093204163 /nfs/dbraw/zinc/20/41/63/1093204163.db2.gz YDGZTRPUJYPIKA-UHFFFAOYSA-N -1 0 331.821 2.674 20 30 EFEDRM C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc(C2CC2)c1 ZINC001589987046 1093210711 /nfs/dbraw/zinc/21/07/11/1093210711.db2.gz BURIDYLFHQXSIT-JTQLQIEISA-N -1 0 332.371 2.579 20 30 EFEDRM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1ccc(Cl)c(N)c1 ZINC001590359088 1093390633 /nfs/dbraw/zinc/39/06/33/1093390633.db2.gz NADQSTNRRPFYLB-UHFFFAOYSA-N -1 0 346.782 2.625 20 30 EFEDRM Cc1cccc(-c2cccc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)c2)c1 ZINC001650716157 1093486581 /nfs/dbraw/zinc/48/65/81/1093486581.db2.gz PJWWSFRIWYZASC-UHFFFAOYSA-N -1 0 346.390 2.533 20 30 EFEDRM CCCCCCCCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O ZINC001590592089 1093502501 /nfs/dbraw/zinc/50/25/01/1093502501.db2.gz BLXSOELQSDNZCQ-UHFFFAOYSA-N -1 0 347.419 2.566 20 30 EFEDRM C=C(C)C(=O)NCCCNc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl ZINC001167671601 1093502853 /nfs/dbraw/zinc/50/28/53/1093502853.db2.gz KJKHLKISYUGUNR-UHFFFAOYSA-N -1 0 349.818 2.943 20 30 EFEDRM CO[C@]1(C)CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001591338951 1093698201 /nfs/dbraw/zinc/69/82/01/1093698201.db2.gz IOIWINCDJRLXSX-MRXNPFEDSA-N -1 0 347.423 2.656 20 30 EFEDRM COCC[C@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001591402495 1093716139 /nfs/dbraw/zinc/71/61/39/1093716139.db2.gz JBOGZUOOKHYVKP-SNVBAGLBSA-N -1 0 347.423 2.757 20 30 EFEDRM COCC[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001591402494 1093717077 /nfs/dbraw/zinc/71/70/77/1093717077.db2.gz JBOGZUOOKHYVKP-JTQLQIEISA-N -1 0 347.423 2.757 20 30 EFEDRM COCC[C@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001591402559 1093717608 /nfs/dbraw/zinc/71/76/08/1093717608.db2.gz KXNRVEVTLGIUKC-LLVKDONJSA-N -1 0 347.423 2.658 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)c1c(C)cc(-c2nn[nH]n2)cc1C ZINC001591509419 1093745351 /nfs/dbraw/zinc/74/53/51/1093745351.db2.gz WTXZNKXXIWVUPA-UHFFFAOYSA-N -1 0 348.366 2.616 20 30 EFEDRM COc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1F ZINC001591634480 1093808271 /nfs/dbraw/zinc/80/82/71/1093808271.db2.gz GAGVZKOOOBQZOW-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM Cc1cc(C)cc(NN=C2CCCc3c2c[nH]c(=O)c3-c2nnn[n-]2)c1 ZINC001591954125 1093932295 /nfs/dbraw/zinc/93/22/95/1093932295.db2.gz ICTZUUBOOHNQQN-UHFFFAOYSA-N -1 0 349.398 2.737 20 30 EFEDRM Cc1cc(C=CC(=O)c2ccc(CC(=O)[O-])cc2)ccc1-c1nn[nH]n1 ZINC001591959666 1093933430 /nfs/dbraw/zinc/93/34/30/1093933430.db2.gz VFNCYRHWLKTVHG-WEVVVXLNSA-N -1 0 348.362 2.698 20 30 EFEDRM Cc1ccc(C#N)c(NCc2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC001592113472 1093984656 /nfs/dbraw/zinc/98/46/56/1093984656.db2.gz NQWDDHPAFTYHPI-UHFFFAOYSA-N -1 0 325.763 2.707 20 30 EFEDRM Cc1ccc(Br)c(N2CC[C@@](C)(C#N)C2)c1-c1nn[nH]n1 ZINC001592111876 1093985298 /nfs/dbraw/zinc/98/52/98/1093985298.db2.gz DLEBYBVFIOVEDN-AWEZNQCLSA-N -1 0 347.220 2.678 20 30 EFEDRM Cc1ccc2ccc(Oc3cnc(C#N)c(-c4nnn[n-]4)n3)cc2c1 ZINC001592208179 1094032010 /nfs/dbraw/zinc/03/20/10/1094032010.db2.gz SZCPDFYZVJYDIW-UHFFFAOYSA-N -1 0 329.323 2.782 20 30 EFEDRM Cc1ccccc1SC[C@@H](C)Cn1cnc(-c2nnn[n-]2)c1C#N ZINC001592259921 1094057037 /nfs/dbraw/zinc/05/70/37/1094057037.db2.gz WFDGTLHFAYPZTI-NSHDSACASA-N -1 0 339.428 2.672 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCSc1cccc(Cl)c1 ZINC001592335085 1094079242 /nfs/dbraw/zinc/07/92/42/1094079242.db2.gz KWFTWDZSWRFHAP-UHFFFAOYSA-N -1 0 345.819 2.689 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000588594909 1094302510 /nfs/dbraw/zinc/30/25/10/1094302510.db2.gz ZOCSKUFGSVPRBE-KXFIGUGUSA-N -1 0 330.252 2.810 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001594227824 1094422354 /nfs/dbraw/zinc/42/23/54/1094422354.db2.gz OODILKNVUYSKAB-ZMZPIMSZSA-N -1 0 337.335 2.795 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594339981 1094424987 /nfs/dbraw/zinc/42/49/87/1094424987.db2.gz LMVKZOTZZYJNJG-BUXKBTBVSA-N -1 0 339.395 2.997 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594339982 1094425831 /nfs/dbraw/zinc/42/58/31/1094425831.db2.gz LMVKZOTZZYJNJG-CWTRNNRKSA-N -1 0 339.395 2.997 20 30 EFEDRM Cc1c2cc(C(=O)/C=C/c3cncnc3)cnc2sc1C(=O)[O-] ZINC001600004658 1094713632 /nfs/dbraw/zinc/71/36/32/1094713632.db2.gz AMDUERPMMALTDX-NSCUHMNNSA-N -1 0 325.349 2.989 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)[O-])nn1C ZINC001600009207 1094717612 /nfs/dbraw/zinc/71/76/12/1094717612.db2.gz JADFPNAMFMYIOT-GQCTYLIASA-N -1 0 339.273 2.737 20 30 EFEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600017862 1094723239 /nfs/dbraw/zinc/72/32/39/1094723239.db2.gz DBZNIBDCUKKZMT-VHSXEESVSA-N -1 0 338.816 2.932 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC001600021062 1094724855 /nfs/dbraw/zinc/72/48/55/1094724855.db2.gz QDSKZIBOSVBUCL-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1c(N)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC001600021359 1094725254 /nfs/dbraw/zinc/72/52/54/1094725254.db2.gz KVMDIVNYJPXBLY-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM Cc1c(NC(=O)N(CCC#N)CC2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600033200 1094730164 /nfs/dbraw/zinc/73/01/64/1094730164.db2.gz AEKWEMHGAIJRRO-UHFFFAOYSA-N -1 0 346.343 2.759 20 30 EFEDRM Cc1c(NCC(C)(C)C)cccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600053230 1094743282 /nfs/dbraw/zinc/74/32/82/1094743282.db2.gz UPSQRDKGMVNNQM-UHFFFAOYSA-N -1 0 331.416 2.894 20 30 EFEDRM Cc1c(NCCO[C@H](C)C#N)ccc(Br)c1C(=O)[O-] ZINC001600053176 1094743995 /nfs/dbraw/zinc/74/39/95/1094743995.db2.gz RTBWXNYNGOHCDV-MRVPVSSYSA-N -1 0 327.178 2.796 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001600074237 1094753293 /nfs/dbraw/zinc/75/32/93/1094753293.db2.gz UGJXKSNQIZPNBF-INIZCTEOSA-N -1 0 341.363 2.692 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001600074183 1094753350 /nfs/dbraw/zinc/75/33/50/1094753350.db2.gz QWCYLCUIENKPLN-LLVKDONJSA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)n1 ZINC001600074269 1094753404 /nfs/dbraw/zinc/75/34/04/1094753404.db2.gz VLLQCEKLUNFWNV-UHFFFAOYSA-N -1 0 335.363 2.698 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600075860 1094754842 /nfs/dbraw/zinc/75/48/42/1094754842.db2.gz FCPUSGDLHLMAIC-GOSISDBHSA-N -1 0 345.358 2.971 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001600076372 1094754976 /nfs/dbraw/zinc/75/49/76/1094754976.db2.gz XGVPIBBAPNOVDH-UHFFFAOYSA-N -1 0 330.369 2.792 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@H]1C[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001600075530 1094755820 /nfs/dbraw/zinc/75/58/20/1094755820.db2.gz DDVOQOZSOZZVBI-GLRZTSSQSA-N -1 0 336.347 2.604 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC001600076037 1094756233 /nfs/dbraw/zinc/75/62/33/1094756233.db2.gz IWUFYZMXWKJUMO-INIZCTEOSA-N -1 0 338.363 2.895 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])c(C)cc1Br ZINC001600078064 1094757109 /nfs/dbraw/zinc/75/71/09/1094757109.db2.gz XFCROMVYOZWSCD-UHFFFAOYSA-N -1 0 339.189 2.506 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])ncc1C#N ZINC001600087706 1094763033 /nfs/dbraw/zinc/76/30/33/1094763033.db2.gz LVDVLEMRTBWFHS-INIZCTEOSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])ncc1C#N ZINC001600087707 1094764208 /nfs/dbraw/zinc/76/42/08/1094764208.db2.gz LVDVLEMRTBWFHS-MRXNPFEDSA-N -1 0 337.379 2.844 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001600088932 1094765498 /nfs/dbraw/zinc/76/54/98/1094765498.db2.gz YPIZHXHCGAGZKB-KFRNIWOLSA-N -1 0 337.379 2.725 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC001600109627 1094777100 /nfs/dbraw/zinc/77/71/00/1094777100.db2.gz VRNWQRDSXAOGTA-HXUWFJFHSA-N -1 0 334.375 2.874 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2F)ncc1C#N ZINC001600133898 1094793153 /nfs/dbraw/zinc/79/31/53/1094793153.db2.gz AKMUWKGSKVSMEX-MEDUHNTESA-N -1 0 342.326 2.815 20 30 EFEDRM Cc1cc(C(=O)O[C@H](CC(C)C)C(=O)[O-])nn1-c1cccc(C#N)c1 ZINC001600135777 1094794314 /nfs/dbraw/zinc/79/43/14/1094794314.db2.gz LJMZPRKOHAFCHW-MRXNPFEDSA-N -1 0 341.367 2.709 20 30 EFEDRM Cc1cc(C)n(CCCC(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600179203 1094844858 /nfs/dbraw/zinc/84/48/58/1094844858.db2.gz GMHTVKDHYCYORH-UHFFFAOYSA-N -1 0 341.367 2.593 20 30 EFEDRM Cc1cc(/C=C\C(=O)c2cc3n(n2)CCC3)cc(C)c1OCC(=O)[O-] ZINC001600186610 1094851441 /nfs/dbraw/zinc/85/14/41/1094851441.db2.gz QGOOSLWEJPLAEM-WAYWQWQTSA-N -1 0 340.379 2.806 20 30 EFEDRM Cc1cc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)oc1C(=O)[O-] ZINC001600199264 1094869651 /nfs/dbraw/zinc/86/96/51/1094869651.db2.gz YQJXIGPRYXEBAZ-UHFFFAOYSA-N -1 0 342.326 2.645 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCO[C@H](CC(=O)[O-])C3)c2c1 ZINC001600217692 1094895238 /nfs/dbraw/zinc/89/52/38/1094895238.db2.gz AQZMWSCSJIJTTP-GFCCVEGCSA-N -1 0 345.786 2.748 20 30 EFEDRM Cc1cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ncc1C#N ZINC001600240113 1094911480 /nfs/dbraw/zinc/91/14/80/1094911480.db2.gz QCDFDQFTMUFLSS-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001600250940 1094914880 /nfs/dbraw/zinc/91/48/80/1094914880.db2.gz ZFXNTACITCHCHT-CYBMUJFWSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)n1C ZINC001600280400 1094942118 /nfs/dbraw/zinc/94/21/18/1094942118.db2.gz KDNBNWFSOFYCDZ-UHFFFAOYSA-N -1 0 328.328 2.732 20 30 EFEDRM Cc1cc(OC(=O)CCc2ocnc2C(=O)[O-])c(C)c(C)c1C#N ZINC001600286207 1094945386 /nfs/dbraw/zinc/94/53/86/1094945386.db2.gz VXHQRHHQFYJBGE-UHFFFAOYSA-N -1 0 328.324 2.708 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001600328858 1094975262 /nfs/dbraw/zinc/97/52/62/1094975262.db2.gz ICBXJOBQJPETFJ-DOJUMQAQSA-N -1 0 341.338 2.815 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001600328870 1094975557 /nfs/dbraw/zinc/97/55/57/1094975557.db2.gz VTRYZUJXOHZNQE-UHFFFAOYSA-N -1 0 339.351 2.998 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001600328452 1094976268 /nfs/dbraw/zinc/97/62/68/1094976268.db2.gz HMJGMFGWXXBJDZ-SFHVURJKSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001600328759 1094976466 /nfs/dbraw/zinc/97/64/66/1094976466.db2.gz FNVVRADCACPGSY-FMQWLBJXSA-N -1 0 337.375 2.546 20 30 EFEDRM Cc1ccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)cc1C#N ZINC001600334974 1094980727 /nfs/dbraw/zinc/98/07/27/1094980727.db2.gz QYCJFDOUUHOVKV-UHFFFAOYSA-N -1 0 336.347 2.600 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-] ZINC001600344108 1094988113 /nfs/dbraw/zinc/98/81/13/1094988113.db2.gz VJPSVHQUVUSYJG-UHFFFAOYSA-N -1 0 328.299 2.987 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1COC(=O)COc1cccc(C#N)c1 ZINC001600348148 1094991291 /nfs/dbraw/zinc/99/12/91/1094991291.db2.gz PKUFWCCLEPLYFW-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C)(C#N)CC1 ZINC001600353285 1094994829 /nfs/dbraw/zinc/99/48/29/1094994829.db2.gz WJEPWZVSSXXMSX-ZDUSSCGKSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C(=O)[O-])cc1 ZINC001600379960 1095017977 /nfs/dbraw/zinc/01/79/77/1095017977.db2.gz RRELYCJSPUHTIT-IPMKNSEASA-N -1 0 348.402 2.955 20 30 EFEDRM Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(Cl)n1 ZINC001600400574 1095036678 /nfs/dbraw/zinc/03/66/78/1095036678.db2.gz BMWCRAPHSVZREP-HNNXBMFYSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1ccc(CN2CCN(c3ccsc3C#N)CC2)cc1C(=O)[O-] ZINC001600414376 1095047757 /nfs/dbraw/zinc/04/77/57/1095047757.db2.gz NYMJCQJXWNULDJ-UHFFFAOYSA-N -1 0 341.436 2.949 20 30 EFEDRM Cc1ccc(N2CCCN(c3ccccc3C#N)CC2)nc1C(=O)[O-] ZINC001600437561 1095067158 /nfs/dbraw/zinc/06/71/58/1095067158.db2.gz XRPBXBRQLACLSV-UHFFFAOYSA-N -1 0 336.395 2.677 20 30 EFEDRM Cc1ccc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c(C#N)n1 ZINC001600437677 1095068132 /nfs/dbraw/zinc/06/81/32/1095068132.db2.gz ZRSNDPCNZZUIFA-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001600443032 1095069246 /nfs/dbraw/zinc/06/92/46/1095069246.db2.gz HBGPDEOLRHQGSO-GOSISDBHSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1ccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001600448058 1095073308 /nfs/dbraw/zinc/07/33/08/1095073308.db2.gz QTJFASLIOYYHNX-UHFFFAOYSA-N -1 0 330.315 2.822 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cccn2[C@H](C)C(=O)[O-])cc1 ZINC001600458724 1095084585 /nfs/dbraw/zinc/08/45/85/1095084585.db2.gz YGNRYUDEKGQKKM-GFCCVEGCSA-N -1 0 330.413 2.763 20 30 EFEDRM Cc1ccc(F)c2c1NC(=O)C2=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001600462720 1095085391 /nfs/dbraw/zinc/08/53/91/1095085391.db2.gz GGZXYLITDUWZCB-UHFFFAOYSA-N -1 0 327.315 2.909 20 30 EFEDRM Cc1ccc(O[C@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc1 ZINC001600468954 1095091001 /nfs/dbraw/zinc/09/10/01/1095091001.db2.gz DSFDBLIDOPQWDN-WMZOPIPTSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2ccc(CCC#N)cc2)c(C(=O)[O-])c1 ZINC001600472855 1095095482 /nfs/dbraw/zinc/09/54/82/1095095482.db2.gz YKTIKSSCHRLCNX-UHFFFAOYSA-N -1 0 345.376 2.917 20 30 EFEDRM Cc1ccc2c(n1)sc(C(=O)[O-])c2NC(=O)c1ccc(C#N)nc1 ZINC001600492844 1095107231 /nfs/dbraw/zinc/10/72/31/1095107231.db2.gz CEKSKGBIBJKDGS-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM Cc1c(/C=C2\COc3ccc(C)c(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001600500917 1095116330 /nfs/dbraw/zinc/11/63/30/1095116330.db2.gz YNYZJBJYCOUUCP-KPKJPENVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1cccc(C2(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)CCC2)c1 ZINC001600523767 1095134608 /nfs/dbraw/zinc/13/46/08/1095134608.db2.gz LHQZGGSLSJHCJX-UHFFFAOYSA-N -1 0 326.396 2.634 20 30 EFEDRM Cc1cccc(S(=O)(=O)N(CCC#N)CCC(C)C)c1C(=O)[O-] ZINC001600547106 1095154692 /nfs/dbraw/zinc/15/46/92/1095154692.db2.gz JBXBDTKVNIPWNL-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM Cc1cncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC001600626186 1095220666 /nfs/dbraw/zinc/22/06/66/1095220666.db2.gz YWGORSVSTIWGDA-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N1CCC[C@H](CC#N)C1 ZINC001600651372 1095236983 /nfs/dbraw/zinc/23/69/83/1095236983.db2.gz XVDVGAJFXQUSHV-VXGBXAGGSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)ccc1C#N ZINC001600684517 1095257484 /nfs/dbraw/zinc/25/74/84/1095257484.db2.gz HCDAAGBVVDRMMV-UHFFFAOYSA-N -1 0 347.277 2.814 20 30 EFEDRM Cc1nc(Cl)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600705216 1095274154 /nfs/dbraw/zinc/27/41/54/1095274154.db2.gz GVYKXPWUJKSEDM-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1nc(Cl)c(Cl)cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600707741 1095278295 /nfs/dbraw/zinc/27/82/95/1095278295.db2.gz QLVDIPAEROSXNB-UHFFFAOYSA-N -1 0 342.182 2.527 20 30 EFEDRM Cc1nc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(Cl)cc1C#N ZINC001600715919 1095284057 /nfs/dbraw/zinc/28/40/57/1095284057.db2.gz MIAQEISPBRTIMU-AWEZNQCLSA-N -1 0 349.749 2.998 20 30 EFEDRM Cc1nc(SCC(=O)N(CC(=O)[O-])CC(C)C)c(C#N)c(C)c1C ZINC001600718156 1095285613 /nfs/dbraw/zinc/28/56/13/1095285613.db2.gz IYXJXXRGVGNUAA-UHFFFAOYSA-N -1 0 349.456 2.540 20 30 EFEDRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3cncc(C#N)c3)c12 ZINC001600716677 1095286728 /nfs/dbraw/zinc/28/67/28/1095286728.db2.gz AHTRJOUNNNDGIJ-UHFFFAOYSA-N -1 0 339.380 2.885 20 30 EFEDRM Cc1ncc(CO)c(/C=N/C[C@H](C(=O)[O-])C2CCCCCC2)c1O ZINC001600738238 1095298716 /nfs/dbraw/zinc/29/87/16/1095298716.db2.gz UEYOBEDRKCTHTQ-ARFNDINWSA-N -1 0 334.416 2.678 20 30 EFEDRM Cc1ncsc1/C=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600760459 1095312366 /nfs/dbraw/zinc/31/23/66/1095312366.db2.gz DHJFXVBFMJADSO-LLYBFZRZSA-N -1 0 328.349 2.706 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])c1C#N ZINC001600762118 1095315072 /nfs/dbraw/zinc/31/50/72/1095315072.db2.gz PLCVOJGUBNKZTF-KRWDZBQOSA-N -1 0 340.427 2.984 20 30 EFEDRM Cc1nn(-c2ccccc2F)cc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600765725 1095318206 /nfs/dbraw/zinc/31/82/06/1095318206.db2.gz VJXHBBYUKIDUOE-UHFFFAOYSA-N -1 0 342.374 2.510 20 30 EFEDRM Cc1nn(C)c(Cl)c1CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600772582 1095321666 /nfs/dbraw/zinc/32/16/66/1095321666.db2.gz YDCMAOXHRVZAQP-AWEZNQCLSA-N -1 0 332.791 2.511 20 30 EFEDRM Cc1nn(CCCOc2ccc(C#N)cc2)c(C)c1CCC(=O)[O-] ZINC001600788164 1095333872 /nfs/dbraw/zinc/33/38/72/1095333872.db2.gz IHMWREALLPFOSS-UHFFFAOYSA-N -1 0 327.384 2.858 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1C#N ZINC001600819714 1095352634 /nfs/dbraw/zinc/35/26/34/1095352634.db2.gz IVBWOSLIZOMQPB-LBPRGKRZSA-N -1 0 348.359 2.800 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1C#N ZINC001600819809 1095352667 /nfs/dbraw/zinc/35/26/67/1095352667.db2.gz LKOFGYUFYLHBIX-GFCCVEGCSA-N -1 0 344.396 2.531 20 30 EFEDRM Cc1nsc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1C#N ZINC001600820252 1095352710 /nfs/dbraw/zinc/35/27/10/1095352710.db2.gz TZSZELCDOUYJDL-UHFFFAOYSA-N -1 0 342.380 2.612 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C#N ZINC001600819443 1095353277 /nfs/dbraw/zinc/35/32/77/1095353277.db2.gz DTNSVBPKTWMJKV-TVQRCGJNSA-N -1 0 344.396 2.907 20 30 EFEDRM Cc1nsc(NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1C#N ZINC001600820292 1095353337 /nfs/dbraw/zinc/35/33/37/1095353337.db2.gz WYSPSJYRGNRMNC-UHFFFAOYSA-N -1 0 342.380 2.612 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C#N ZINC001600819441 1095353638 /nfs/dbraw/zinc/35/36/38/1095353638.db2.gz DTNSVBPKTWMJKV-NOZJJQNGSA-N -1 0 344.396 2.907 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C#N ZINC001600819444 1095353727 /nfs/dbraw/zinc/35/37/27/1095353727.db2.gz DTNSVBPKTWMJKV-ZANVPECISA-N -1 0 344.396 2.907 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001600830487 1095363865 /nfs/dbraw/zinc/36/38/65/1095363865.db2.gz VGSVYNWWHSDLBX-KRWDZBQOSA-N -1 0 326.352 2.731 20 30 EFEDRM Cc1oc(C=NN(C)C(=S)NCc2ccccc2)cc1C(=O)[O-] ZINC001600838509 1095370434 /nfs/dbraw/zinc/37/04/34/1095370434.db2.gz SXRBQKGRMIUVCL-UHFFFAOYSA-N -1 0 331.397 2.627 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001600838576 1095370479 /nfs/dbraw/zinc/37/04/79/1095370479.db2.gz WMQGZNLZMLISGN-UHFFFAOYSA-N -1 0 325.320 2.767 20 30 EFEDRM Cc1oc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001600848444 1095377280 /nfs/dbraw/zinc/37/72/80/1095377280.db2.gz QUNZDJMAFKJVIG-MRXNPFEDSA-N -1 0 339.351 2.645 20 30 EFEDRM Cc1oc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001600849603 1095379786 /nfs/dbraw/zinc/37/97/86/1095379786.db2.gz PGRKYTLKGXKKBI-UHFFFAOYSA-N -1 0 341.367 2.892 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001600899937 1095413768 /nfs/dbraw/zinc/41/37/68/1095413768.db2.gz YHWREOLLYYMMBK-UHFFFAOYSA-N -1 0 334.331 2.896 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)/C=C\c2ccccc2C#N)c1C(=O)[O-] ZINC001600901326 1095415966 /nfs/dbraw/zinc/41/59/66/1095415966.db2.gz GSLSVNOSUSBWDG-HJWRWDBZSA-N -1 0 346.346 2.795 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC001600904746 1095417033 /nfs/dbraw/zinc/41/70/33/1095417033.db2.gz PRIPNJHCBBAYKZ-AWEZNQCLSA-N -1 0 325.368 2.888 20 30 EFEDRM Cn1c(SCc2cccc(C(=O)[O-])c2C#N)nnc1C1CCC1 ZINC001600921447 1095429831 /nfs/dbraw/zinc/42/98/31/1095429831.db2.gz JQHZGKIEGAIFOI-UHFFFAOYSA-N -1 0 328.397 2.945 20 30 EFEDRM Cn1cc(-c2ccccc2CNc2ccc(C(=O)[O-])nc2C#N)cn1 ZINC001600924951 1095432010 /nfs/dbraw/zinc/43/20/10/1095432010.db2.gz SVCBQFVLOSWHDB-UHFFFAOYSA-N -1 0 333.351 2.664 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001600927634 1095433519 /nfs/dbraw/zinc/43/35/19/1095433519.db2.gz XMSCEOOJTRUOMM-HNNXBMFYSA-N -1 0 331.416 2.830 20 30 EFEDRM Cn1ncc(C(=O)OC(C)(C)C)c1C=NNc1ccccc1C(=O)[O-] ZINC001601025807 1095471647 /nfs/dbraw/zinc/47/16/47/1095471647.db2.gz XXFMPCCQXCEMHW-UHFFFAOYSA-N -1 0 344.371 2.520 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001601047345 1095477531 /nfs/dbraw/zinc/47/75/31/1095477531.db2.gz NKNJTPOYGYHUAN-CYBMUJFWSA-N -1 0 342.317 2.625 20 30 EFEDRM N#C[C@@H](C(=O)CCc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC001601047488 1095477725 /nfs/dbraw/zinc/47/77/25/1095477725.db2.gz RBIUHVDLQBZNQU-INIZCTEOSA-N -1 0 336.347 2.665 20 30 EFEDRM N#C[C@H](COC(=O)Cc1ccccc1C(=O)[O-])Cc1cccs1 ZINC001601048242 1095479828 /nfs/dbraw/zinc/47/98/28/1095479828.db2.gz KDYRJCPWZRWOIL-GFCCVEGCSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)CC12CCCC2 ZINC001601050629 1095479918 /nfs/dbraw/zinc/47/99/18/1095479918.db2.gz DADKRLPOSRKHNX-MRXNPFEDSA-N -1 0 333.413 2.963 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2coc(C3CCCCC3)n2)CC1 ZINC001601052670 1095481637 /nfs/dbraw/zinc/48/16/37/1095481637.db2.gz GAONUAYHTHVPQX-UHFFFAOYSA-N -1 0 331.372 2.553 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCSCC1 ZINC001601050716 1095481874 /nfs/dbraw/zinc/48/18/74/1095481874.db2.gz HSWRUQJCPMZTSC-UHFFFAOYSA-N -1 0 326.324 2.638 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccccc2N2CCCCC2)CC1 ZINC001601053152 1095482672 /nfs/dbraw/zinc/48/26/72/1095482672.db2.gz QUKHIZUYXBCNAB-UHFFFAOYSA-N -1 0 341.411 2.507 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC001601055291 1095483125 /nfs/dbraw/zinc/48/31/25/1095483125.db2.gz ICMPPDBPVHTEIK-UHFFFAOYSA-N -1 0 333.196 2.885 20 30 EFEDRM N#CC1(CC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCOCC1 ZINC001601055197 1095483215 /nfs/dbraw/zinc/48/32/15/1095483215.db2.gz SWXYDKRJWUUPKK-UHFFFAOYSA-N -1 0 348.424 2.902 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=S)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC001601053151 1095483414 /nfs/dbraw/zinc/48/34/14/1095483414.db2.gz QREZBBULUJLLCD-UHFFFAOYSA-N -1 0 347.484 2.520 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2cc3c(nn2)-c2ccccc2CCC3)CC1 ZINC001601053840 1095483444 /nfs/dbraw/zinc/48/34/44/1095483444.db2.gz WLERBPJIJDWYRB-UHFFFAOYSA-N -1 0 348.406 2.827 20 30 EFEDRM N#CC1CCC(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001601058320 1095484342 /nfs/dbraw/zinc/48/43/42/1095484342.db2.gz LHYYYTRWLYIJSU-UHFFFAOYSA-N -1 0 329.400 2.556 20 30 EFEDRM N#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001601057540 1095484404 /nfs/dbraw/zinc/48/44/04/1095484404.db2.gz AHXVMRZHEIBXGZ-UHFFFAOYSA-N -1 0 342.804 2.543 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001601055631 1095484498 /nfs/dbraw/zinc/48/44/98/1095484498.db2.gz SZNZUJHAABLAOV-UONOGXRCSA-N -1 0 332.787 2.660 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001601057730 1095484547 /nfs/dbraw/zinc/48/45/47/1095484547.db2.gz CZKRWFJPJWCLID-LJQANCHMSA-N -1 0 339.370 2.976 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC001601055535 1095484580 /nfs/dbraw/zinc/48/45/80/1095484580.db2.gz NJEXXSWDOHTERZ-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC001601058367 1095484612 /nfs/dbraw/zinc/48/46/12/1095484612.db2.gz MAVZOMFAGCYCOW-HNNXBMFYSA-N -1 0 348.815 2.951 20 30 EFEDRM N#CC1(c2ccc(COC(=O)CCc3ocnc3C(=O)[O-])cc2)CC1 ZINC001601058029 1095484664 /nfs/dbraw/zinc/48/46/64/1095484664.db2.gz HCUIQSDSRUOSJX-UHFFFAOYSA-N -1 0 340.335 2.604 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC001601055691 1095484671 /nfs/dbraw/zinc/48/46/71/1095484671.db2.gz WHCAEPVRUKENKS-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3CCc4ccc(C(=O)[O-])nc4C3)cc2)CC1 ZINC001601058892 1095485054 /nfs/dbraw/zinc/48/50/54/1095485054.db2.gz RZJUCGBYTQWRHY-UHFFFAOYSA-N -1 0 347.374 2.533 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001601059350 1095486049 /nfs/dbraw/zinc/48/60/49/1095486049.db2.gz XUGVLUKVIJLYPF-QGZVFWFLSA-N -1 0 341.392 2.539 20 30 EFEDRM N#CC[C@H](CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001601060771 1095486392 /nfs/dbraw/zinc/48/63/92/1095486392.db2.gz MNOKRZPEADFTPM-MDZRGWNJSA-N -1 0 326.396 2.930 20 30 EFEDRM N#CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001601060912 1095486471 /nfs/dbraw/zinc/48/64/71/1095486471.db2.gz OOLUPXTYMAZGPB-OAHLLOKOSA-N -1 0 339.307 2.929 20 30 EFEDRM N#CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001601060209 1095486489 /nfs/dbraw/zinc/48/64/89/1095486489.db2.gz ADDMVFXCMWVNOR-IAGOWNOFSA-N -1 0 337.379 2.801 20 30 EFEDRM N#CC[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001601060369 1095486691 /nfs/dbraw/zinc/48/66/91/1095486691.db2.gz DTNYNYCWEPGFQW-DLBZAZTESA-N -1 0 340.354 2.635 20 30 EFEDRM N#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001601066154 1095487896 /nfs/dbraw/zinc/48/78/96/1095487896.db2.gz FXURITZYTBOGIG-GFCCVEGCSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CCCCCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001601065823 1095487984 /nfs/dbraw/zinc/48/79/84/1095487984.db2.gz SIHZNNGUWCJBJX-UHFFFAOYSA-N -1 0 332.381 2.510 20 30 EFEDRM N#CCCCCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001601065322 1095488275 /nfs/dbraw/zinc/48/82/75/1095488275.db2.gz BHZJQAIRGWSJRT-UHFFFAOYSA-N -1 0 340.177 2.963 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2csc(C(=O)[O-])n2)c1 ZINC001601065687 1095488311 /nfs/dbraw/zinc/48/83/11/1095488311.db2.gz SGYUULSXHJNIHR-UHFFFAOYSA-N -1 0 331.353 2.776 20 30 EFEDRM N#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001601066155 1095488558 /nfs/dbraw/zinc/48/85/58/1095488558.db2.gz FXURITZYTBOGIG-LBPRGKRZSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001601069014 1095489725 /nfs/dbraw/zinc/48/97/25/1095489725.db2.gz CYILIMJXEQFOLD-UHFFFAOYSA-N -1 0 338.150 2.592 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C/c1ccsc1C(F)(F)F ZINC001601071007 1095489782 /nfs/dbraw/zinc/48/97/82/1095489782.db2.gz ORKGDLVHZKAZQX-OWOJBTEDSA-N -1 0 332.303 2.607 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cc(Br)c(Cl)s1 ZINC001601072381 1095489884 /nfs/dbraw/zinc/48/98/84/1095489884.db2.gz IGRFTGFLMUHGKD-UHFFFAOYSA-N -1 0 337.626 2.964 20 30 EFEDRM N#CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001601070126 1095490031 /nfs/dbraw/zinc/49/00/31/1095490031.db2.gz LDODBCPJNZPJQB-UHFFFAOYSA-N -1 0 346.774 2.572 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001601067653 1095490064 /nfs/dbraw/zinc/49/00/64/1095490064.db2.gz DIZCIZOFDBLKAP-UHFFFAOYSA-N -1 0 327.340 2.854 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001601075977 1095491624 /nfs/dbraw/zinc/49/16/24/1095491624.db2.gz SSOMRLPDUUIGQC-UHFFFAOYSA-N -1 0 339.351 2.651 20 30 EFEDRM N#CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001601073840 1095491715 /nfs/dbraw/zinc/49/17/15/1095491715.db2.gz BJUOXPHXRVGBHB-LPHOPBHVSA-N -1 0 336.347 2.786 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001601075444 1095491792 /nfs/dbraw/zinc/49/17/92/1095491792.db2.gz MPQGMBMKGYOHKV-RYUDHWBXSA-N -1 0 345.374 2.674 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001601075561 1095491996 /nfs/dbraw/zinc/49/19/96/1095491996.db2.gz NUIDTQRGUBNBCS-INIZCTEOSA-N -1 0 340.404 2.728 20 30 EFEDRM N#CCc1cccc2c1CCN(Cn1ncc3cc(C(=O)[O-])ccc31)C2 ZINC001601078321 1095492696 /nfs/dbraw/zinc/49/26/96/1095492696.db2.gz SMLGWTGWKCFKEF-UHFFFAOYSA-N -1 0 346.390 2.816 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1 ZINC001601076832 1095492869 /nfs/dbraw/zinc/49/28/69/1095492869.db2.gz VYRQUHNCDYGRSE-LBPRGKRZSA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001601076697 1095492919 /nfs/dbraw/zinc/49/29/19/1095492919.db2.gz YAKGDPCMWPTBGW-UHFFFAOYSA-N -1 0 343.364 2.873 20 30 EFEDRM N#CCc1cccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001601077565 1095493144 /nfs/dbraw/zinc/49/31/44/1095493144.db2.gz HMRMPBIKQQNNIQ-MRXNPFEDSA-N -1 0 327.311 2.744 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001601076873 1095493527 /nfs/dbraw/zinc/49/35/27/1095493527.db2.gz YZFQWWZUYLQTRW-UHFFFAOYSA-N -1 0 335.363 2.676 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001601077952 1095493547 /nfs/dbraw/zinc/49/35/47/1095493547.db2.gz SGJMJHZKDANBRK-LBPRGKRZSA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCc1ccc(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001601076678 1095493661 /nfs/dbraw/zinc/49/36/61/1095493661.db2.gz OSICGAFQGPYLQV-XLIONFOSSA-N -1 0 334.375 2.627 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001601078743 1095494561 /nfs/dbraw/zinc/49/45/61/1095494561.db2.gz YQYHNQDHJIPEPZ-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM N#Cc1c(COC(=O)c2cnc(Cl)c(F)c2)cccc1C(=O)[O-] ZINC001601080303 1095494584 /nfs/dbraw/zinc/49/45/84/1095494584.db2.gz IGKKYPXZXNTLCO-UHFFFAOYSA-N -1 0 334.690 2.801 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1F ZINC001601080594 1095494757 /nfs/dbraw/zinc/49/47/57/1095494757.db2.gz FWQDVJHVYLWFQK-UHFFFAOYSA-N -1 0 328.274 2.738 20 30 EFEDRM N#Cc1c(COc2ccc3c(c2)CCCNC3=O)cccc1C(=O)[O-] ZINC001601080407 1095494890 /nfs/dbraw/zinc/49/48/90/1095494890.db2.gz MPIZTMVXBGFEBJ-UHFFFAOYSA-N -1 0 336.347 2.511 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC001601079780 1095495059 /nfs/dbraw/zinc/49/50/59/1095495059.db2.gz RLPWWRULXMJYCW-GDLCADMTSA-N -1 0 335.791 2.847 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc3c2COCC3)cccc1C(=O)[O-] ZINC001601080224 1095495153 /nfs/dbraw/zinc/49/51/53/1095495153.db2.gz CQCYNJXCKWXNCQ-UHFFFAOYSA-N -1 0 337.331 2.686 20 30 EFEDRM N#Cc1c(F)cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1F ZINC001601080773 1095495167 /nfs/dbraw/zinc/49/51/67/1095495167.db2.gz IYDHIIPXNYHTJY-UHFFFAOYSA-N -1 0 337.307 2.562 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001601081023 1095496327 /nfs/dbraw/zinc/49/63/27/1095496327.db2.gz HKFBPTZIKZLYRM-QGZVFWFLSA-N -1 0 345.358 2.691 20 30 EFEDRM N#Cc1c(CN2C(=O)CC(C3CCCC3)CC2=O)cccc1C(=O)[O-] ZINC001601080878 1095496441 /nfs/dbraw/zinc/49/64/41/1095496441.db2.gz FGXWNXUJYTXKGX-UHFFFAOYSA-N -1 0 340.379 2.712 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001601080949 1095496769 /nfs/dbraw/zinc/49/67/69/1095496769.db2.gz GITUAKLWDXAEAV-UHFFFAOYSA-N -1 0 335.319 2.755 20 30 EFEDRM N#Cc1c(CN2CCOc3cccc(F)c3C2)cccc1C(=O)[O-] ZINC001601082124 1095496892 /nfs/dbraw/zinc/49/68/92/1095496892.db2.gz PVVWYKYWMJUVFF-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)ccc12 ZINC001601084851 1095497574 /nfs/dbraw/zinc/49/75/74/1095497574.db2.gz GMVGJTCQSSEPJR-OAHLLOKOSA-N -1 0 325.368 2.803 20 30 EFEDRM N#Cc1c(COC(=O)CCSC(F)(F)F)cccc1C(=O)[O-] ZINC001601083848 1095497609 /nfs/dbraw/zinc/49/76/09/1095497609.db2.gz VCIFSYCGYVWNMG-UHFFFAOYSA-N -1 0 333.287 2.943 20 30 EFEDRM N#Cc1cc(Br)ccc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC001601085247 1095497708 /nfs/dbraw/zinc/49/77/08/1095497708.db2.gz XVENYNQLJAPFTB-JTQLQIEISA-N -1 0 341.230 2.575 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001601084214 1095497787 /nfs/dbraw/zinc/49/77/87/1095497787.db2.gz NLWUPZJGRFSOGI-YOEHRIQHSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])co1 ZINC001601086036 1095499036 /nfs/dbraw/zinc/49/90/36/1095499036.db2.gz VFLKCDMXOITABN-HNNXBMFYSA-N -1 0 348.358 2.978 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)ccc1Cl ZINC001601086146 1095499128 /nfs/dbraw/zinc/49/91/28/1095499128.db2.gz ZIUTVDBNSWPSHL-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001601086711 1095499221 /nfs/dbraw/zinc/49/92/21/1095499221.db2.gz FTTIIRCSUBIMQY-GXTWGEPZSA-N -1 0 337.759 2.525 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001601086650 1095499321 /nfs/dbraw/zinc/49/93/21/1095499321.db2.gz BPUDCPJPFMJCPD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)CCc1ocnc1C(=O)[O-] ZINC001601086734 1095499521 /nfs/dbraw/zinc/49/95/21/1095499521.db2.gz GVEBAFBUFRDFKA-UHFFFAOYSA-N -1 0 334.715 2.574 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@@H](CC(=O)[O-])Cc3ccccc3)ccc12 ZINC001601085369 1095499641 /nfs/dbraw/zinc/49/96/41/1095499641.db2.gz UISDWGSZNWILAO-MRXNPFEDSA-N -1 0 347.374 2.855 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC001601089004 1095500206 /nfs/dbraw/zinc/50/02/06/1095500206.db2.gz DDBGOBLUCYSJQL-UHFFFAOYSA-N -1 0 343.314 2.596 20 30 EFEDRM N#Cc1cc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)co1 ZINC001601088075 1095500330 /nfs/dbraw/zinc/50/03/30/1095500330.db2.gz NXAGQYLOJPXBJP-UHFFFAOYSA-N -1 0 336.097 2.831 20 30 EFEDRM N#Cc1cc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)ccn1 ZINC001601087856 1095500360 /nfs/dbraw/zinc/50/03/60/1095500360.db2.gz PLLRRFFOSIOANX-UHFFFAOYSA-N -1 0 346.726 2.541 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCc2ccccc2CC(=O)[O-])c(F)c1 ZINC001601087668 1095500455 /nfs/dbraw/zinc/50/04/55/1095500455.db2.gz INSJMZIABPKHSW-UHFFFAOYSA-N -1 0 331.274 2.821 20 30 EFEDRM N#Cc1cc(C(=O)OCc2cc(C(=O)[O-])co2)cnc1C(F)(F)F ZINC001601088194 1095500680 /nfs/dbraw/zinc/50/06/80/1095500680.db2.gz XECWLTCWGKKWDX-UHFFFAOYSA-N -1 0 340.213 2.620 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(NCCc2ncc(C(=O)[O-])s2)n1 ZINC001601088299 1095500726 /nfs/dbraw/zinc/50/07/26/1095500726.db2.gz RRKWBOMDGMEZDT-UHFFFAOYSA-N -1 0 342.302 2.781 20 30 EFEDRM N#Cc1cc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c(F)cc1F ZINC001601090873 1095502292 /nfs/dbraw/zinc/50/22/92/1095502292.db2.gz YEPNIQZUGZPPQD-UHFFFAOYSA-N -1 0 337.326 2.993 20 30 EFEDRM N#Cc1cc(NC(=O)NCCCCCCC(=O)[O-])c(F)cc1F ZINC001601090729 1095502352 /nfs/dbraw/zinc/50/23/52/1095502352.db2.gz QEGVICJUORCGEI-UHFFFAOYSA-N -1 0 325.315 2.993 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001601091268 1095503124 /nfs/dbraw/zinc/50/31/24/1095503124.db2.gz ZZRPNRGDYVAKFE-UHFFFAOYSA-N -1 0 341.298 2.866 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1Cl ZINC001601093274 1095503606 /nfs/dbraw/zinc/50/36/06/1095503606.db2.gz ZJKFUOWQSRULTF-YDHLFZDLSA-N -1 0 332.787 2.927 20 30 EFEDRM N#Cc1ccc(Br)c(-n2nc(C(=O)[O-])c3c2CCC3)c1 ZINC001601092409 1095503824 /nfs/dbraw/zinc/50/38/24/1095503824.db2.gz FKXRBDSBLRUQMF-UHFFFAOYSA-N -1 0 332.157 2.693 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN[C@@H](C(=O)[O-])C3CCCCC3)o2)cc1 ZINC001601092458 1095504177 /nfs/dbraw/zinc/50/41/77/1095504177.db2.gz HDVRFKWRYVAUKZ-MRXNPFEDSA-N -1 0 340.383 2.731 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001601091963 1095504305 /nfs/dbraw/zinc/50/43/05/1095504305.db2.gz IOJLBDBLOMLLBI-AWEZNQCLSA-N -1 0 346.745 2.949 20 30 EFEDRM N#Cc1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC001601093861 1095504351 /nfs/dbraw/zinc/50/43/51/1095504351.db2.gz BZEROUGLTGTLOO-UHFFFAOYSA-N -1 0 333.683 2.543 20 30 EFEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)nc1Cl ZINC001601092066 1095504409 /nfs/dbraw/zinc/50/44/09/1095504409.db2.gz HJZVHQCFTIJALF-UHFFFAOYSA-N -1 0 343.770 2.724 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1Cl ZINC001601092663 1095504775 /nfs/dbraw/zinc/50/47/75/1095504775.db2.gz QUKYWOXIHMKARK-OAHLLOKOSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c(N2CCc3[nH]nc(C(=O)[O-])c3C2)c1 ZINC001601095234 1095505964 /nfs/dbraw/zinc/50/59/64/1095505964.db2.gz LCHDJBCVPGTZFH-UHFFFAOYSA-N -1 0 336.273 2.561 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)C(=O)[O-])cc1 ZINC001601096121 1095507990 /nfs/dbraw/zinc/50/79/90/1095507990.db2.gz OILPPXLTBWSMKQ-WBVHZDCISA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCNc3ccccc32)C(=O)[O-])cc1 ZINC001601095977 1095508150 /nfs/dbraw/zinc/50/81/50/1095508150.db2.gz JETCLCGLXJYQFZ-RDJZCZTQSA-N -1 0 336.347 2.827 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CSCc2cscn2)C(=O)[O-])cc1 ZINC001601096549 1095508239 /nfs/dbraw/zinc/50/82/39/1095508239.db2.gz XBQUHHQRGMEQKC-CQSZACIVSA-N -1 0 348.405 2.617 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)NC3CC(CC(=O)[O-])C3)CC2)cc1 ZINC001601097268 1095508505 /nfs/dbraw/zinc/50/85/05/1095508505.db2.gz CWIYUTCIDQKGPP-UHFFFAOYSA-N -1 0 339.395 2.610 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)C(=O)[O-])cc1 ZINC001601095979 1095508631 /nfs/dbraw/zinc/50/86/31/1095508631.db2.gz JMAOJARLPLCQPK-MQYQWHSLSA-N -1 0 335.306 2.909 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CC2(C(F)(F)F)CC2)C(=O)[O-])cc1 ZINC001601095833 1095508711 /nfs/dbraw/zinc/50/87/11/1095508711.db2.gz DJPCAUIYNBYSMX-GFCCVEGCSA-N -1 0 327.258 2.960 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)CC2)cc1 ZINC001601098768 1095509819 /nfs/dbraw/zinc/50/98/19/1095509819.db2.gz CLDKWAIJAURBLE-UHFFFAOYSA-N -1 0 332.359 2.830 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)nc1 ZINC001601098010 1095509976 /nfs/dbraw/zinc/50/99/76/1095509976.db2.gz SGJSCEMUEKNVMZ-JKSUJKDBSA-N -1 0 341.411 2.550 20 30 EFEDRM N#Cc1ccc([C@H]2CN([C@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC001601098595 1095510093 /nfs/dbraw/zinc/51/00/93/1095510093.db2.gz RMWQYJZDSHBZSU-CVEARBPZSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001601097326 1095510117 /nfs/dbraw/zinc/51/01/17/1095510117.db2.gz FLQBKYYPWJPXTE-UHFFFAOYSA-N -1 0 333.347 2.581 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnc3n2CCCCC3)C(=O)[O-])cc1 ZINC001601099259 1095511115 /nfs/dbraw/zinc/51/11/15/1095511115.db2.gz KSOKZJTUWLIFOP-CQSZACIVSA-N -1 0 328.397 2.794 20 30 EFEDRM N#Cc1ccc(CNC(=O)CNc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001601100494 1095512057 /nfs/dbraw/zinc/51/20/57/1095512057.db2.gz NUOAGTNDJDKHGM-UHFFFAOYSA-N -1 0 343.770 2.638 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnc3n2CCCCC3)C(=O)[O-])cc1 ZINC001601099258 1095512179 /nfs/dbraw/zinc/51/21/79/1095512179.db2.gz KSOKZJTUWLIFOP-AWEZNQCLSA-N -1 0 328.397 2.794 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001601099844 1095512313 /nfs/dbraw/zinc/51/23/13/1095512313.db2.gz RFOXWDFYOQIXOP-UHFFFAOYSA-N -1 0 342.376 2.572 20 30 EFEDRM N#Cc1ccc(F)c(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601102782 1095513245 /nfs/dbraw/zinc/51/32/45/1095513245.db2.gz NTXKNFVHMQKXGJ-NEPJUHHUSA-N -1 0 330.281 2.782 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC001601101273 1095513853 /nfs/dbraw/zinc/51/38/53/1095513853.db2.gz GWMJALLUTVJPJB-UHFFFAOYSA-N -1 0 341.392 2.586 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001601103027 1095513897 /nfs/dbraw/zinc/51/38/97/1095513897.db2.gz ZCLPKDZCAJQCSF-AWEZNQCLSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601101195 1095513952 /nfs/dbraw/zinc/51/39/52/1095513952.db2.gz BVNRGIZIVGFFSL-BHPKHCPMSA-N -1 0 347.802 2.510 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC001601102658 1095514039 /nfs/dbraw/zinc/51/40/39/1095514039.db2.gz KKQJREOHFMWTOJ-CYBMUJFWSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC001601103447 1095514435 /nfs/dbraw/zinc/51/44/35/1095514435.db2.gz FYPYAWGGHQJTKV-UHFFFAOYSA-N -1 0 330.290 2.958 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001601103706 1095514567 /nfs/dbraw/zinc/51/45/67/1095514567.db2.gz XTVUJXGEWLHNAF-LSDHHAIUSA-N -1 0 332.425 2.551 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001601103662 1095515312 /nfs/dbraw/zinc/51/53/12/1095515312.db2.gz VFESRQOSFRSNDK-HUUCEWRRSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(Cn2cc(C(=O)[O-])nc2C2CC2)c(OC(F)F)c1 ZINC001601103601 1095515377 /nfs/dbraw/zinc/51/53/77/1095515377.db2.gz JOGVMXTUVJKEAY-UHFFFAOYSA-N -1 0 333.294 2.980 20 30 EFEDRM N#Cc1ccc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601107662 1095516271 /nfs/dbraw/zinc/51/62/71/1095516271.db2.gz CDPVXTSNPWXUOD-HNNXBMFYSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601108017 1095516585 /nfs/dbraw/zinc/51/65/85/1095516585.db2.gz XJPOZQZQSJJCHT-ZDUSSCGKSA-N -1 0 343.314 2.961 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)NCC3(C(=O)[O-])CC3)c2)cc1 ZINC001601108772 1095516717 /nfs/dbraw/zinc/51/67/17/1095516717.db2.gz RYONUPOLNSVCGF-UHFFFAOYSA-N -1 0 335.363 2.896 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001601107527 1095517038 /nfs/dbraw/zinc/51/70/38/1095517038.db2.gz URALKRPUBRLSBA-UHFFFAOYSA-N -1 0 340.339 2.656 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2C(=O)[O-])cc1 ZINC001601111221 1095517966 /nfs/dbraw/zinc/51/79/66/1095517966.db2.gz VWQIZNLDNWJTAO-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2)cc1 ZINC001601110536 1095518327 /nfs/dbraw/zinc/51/83/27/1095518327.db2.gz CMPXWLGJRDOULC-GASCZTMLSA-N -1 0 336.347 2.944 20 30 EFEDRM N#Cc1ccc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])c(F)c1 ZINC001601113365 1095518372 /nfs/dbraw/zinc/51/83/72/1095518372.db2.gz AAYDBXBYKCYBRP-HNNXBMFYSA-N -1 0 344.367 2.673 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)CSCc2ccccc2C(=O)[O-])cc1 ZINC001601110423 1095518586 /nfs/dbraw/zinc/51/85/86/1095518586.db2.gz XPKHXTDNAJURJZ-HNNXBMFYSA-N -1 0 343.404 2.930 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001601110854 1095518621 /nfs/dbraw/zinc/51/86/21/1095518621.db2.gz IYNSKRIHNNODEO-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2)nc1 ZINC001601111008 1095518664 /nfs/dbraw/zinc/51/86/64/1095518664.db2.gz QGPKPMIRADVENG-LSDHHAIUSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001601114379 1095519513 /nfs/dbraw/zinc/51/95/13/1095519513.db2.gz CEVLTDMVVQFTNU-QGZVFWFLSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001601114738 1095519653 /nfs/dbraw/zinc/51/96/53/1095519653.db2.gz GDRGWNHHOBAACY-KBXCAEBGSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cccc(C#N)c1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001601115001 1095519668 /nfs/dbraw/zinc/51/96/68/1095519668.db2.gz KDCXKGKVHBNAAL-UHFFFAOYSA-N -1 0 338.392 2.969 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001601114372 1095519693 /nfs/dbraw/zinc/51/96/93/1095519693.db2.gz CAYGHGXUYUTEJF-UHFFFAOYSA-N -1 0 327.384 2.658 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3ccsc3C(=O)[O-])n2)c1 ZINC001601115433 1095519850 /nfs/dbraw/zinc/51/98/50/1095519850.db2.gz SYYJIMDXFYGRPU-UHFFFAOYSA-N -1 0 338.348 2.756 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001601115663 1095519973 /nfs/dbraw/zinc/51/99/73/1095519973.db2.gz SJEDAORJYXYILW-HNNXBMFYSA-N -1 0 339.351 2.726 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)OCc3cc(C(=O)[O-])co3)on2)c1 ZINC001601115788 1095521060 /nfs/dbraw/zinc/52/10/60/1095521060.db2.gz CWYQFMQBUGAADU-UHFFFAOYSA-N -1 0 338.275 2.861 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001601116485 1095521434 /nfs/dbraw/zinc/52/14/34/1095521434.db2.gz FSUAVWSICPNQJH-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC001601119440 1095523639 /nfs/dbraw/zinc/52/36/39/1095523639.db2.gz QPMFQMHAIIASJH-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)c2cc(C(=O)[O-])co2)C(F)(F)F)c1 ZINC001601118540 1095523695 /nfs/dbraw/zinc/52/36/95/1095523695.db2.gz JXMTWFCWTNJBCK-LBPRGKRZSA-N -1 0 338.241 2.883 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])c1 ZINC001601118504 1095524079 /nfs/dbraw/zinc/52/40/79/1095524079.db2.gz WURUQDAQUDNNKG-LBPRGKRZSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3ccsc3C(=O)[O-])CCO2)c1 ZINC001601120536 1095524761 /nfs/dbraw/zinc/52/47/61/1095524761.db2.gz YMCGAVQIEMHKKK-CQSZACIVSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001601120649 1095524927 /nfs/dbraw/zinc/52/49/27/1095524927.db2.gz CXJKWWTXDBRZIR-ZDUSSCGKSA-N -1 0 344.758 2.944 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3nc4c(cccc4C(=O)[O-])[nH]3)CC2)c1 ZINC001601120417 1095525027 /nfs/dbraw/zinc/52/50/27/1095525027.db2.gz UJWJSBKRLXHFOC-UHFFFAOYSA-N -1 0 346.346 2.803 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001601120602 1095525133 /nfs/dbraw/zinc/52/51/33/1095525133.db2.gz AFEXJOMZMZVLND-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001601120716 1095525520 /nfs/dbraw/zinc/52/55/20/1095525520.db2.gz HOHSNJHTBDVASX-DLBZAZTESA-N -1 0 335.363 2.890 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC001601120801 1095525742 /nfs/dbraw/zinc/52/57/42/1095525742.db2.gz MUKOBNWWYONBNN-TVIZTDCDSA-N -1 0 345.424 2.809 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)CCO2)c1 ZINC001601120355 1095525887 /nfs/dbraw/zinc/52/58/87/1095525887.db2.gz RRVKVXLSQRTIBJ-LJQANCHMSA-N -1 0 347.374 2.702 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3ccc(/C=C/C(=O)[O-])o3)CCO2)c1 ZINC001601120052 1095525922 /nfs/dbraw/zinc/52/59/22/1095525922.db2.gz GLACPZJPQPTZQA-DKFQHHCZSA-N -1 0 338.363 2.823 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001601123007 1095526734 /nfs/dbraw/zinc/52/67/34/1095526734.db2.gz VHRJMYRQOYMJCB-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cccc(COc2cccc(Nc3ccnc(C(=O)[O-])n3)c2)c1 ZINC001601122865 1095527105 /nfs/dbraw/zinc/52/71/05/1095527105.db2.gz IMJOJZXVSJNZCY-UHFFFAOYSA-N -1 0 346.346 2.791 20 30 EFEDRM N#Cc1cccc(N(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C2CCC2)c1 ZINC001601122681 1095527216 /nfs/dbraw/zinc/52/72/16/1095527216.db2.gz RYPVUXKUUAZUDN-DLBZAZTESA-N -1 0 342.395 2.856 20 30 EFEDRM N#Cc1cccc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001601123073 1095527293 /nfs/dbraw/zinc/52/72/93/1095527293.db2.gz ZCFVXINLRNPHOI-HUUCEWRRSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1cccc(OCCCOc2ccc(C(=O)[O-])cc2C=O)c1 ZINC001601123466 1095527509 /nfs/dbraw/zinc/52/75/09/1095527509.db2.gz CXYOWTCAADRZEI-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM N#Cc1cccc(N2CCOc3cc(C(=O)[O-])ccc3C2)c1[N+](=O)[O-] ZINC001601122623 1095527630 /nfs/dbraw/zinc/52/76/30/1095527630.db2.gz RDIVXHARTXHXOO-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC001601122440 1095527669 /nfs/dbraw/zinc/52/76/69/1095527669.db2.gz LMZCGAOKIUCIFT-UHFFFAOYSA-N -1 0 338.363 2.983 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001601124474 1095528915 /nfs/dbraw/zinc/52/89/15/1095528915.db2.gz MDAXKOQCJIDWGH-BBWFWOEESA-N -1 0 332.359 2.877 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)Nc3nc4c(cccc4C(=O)[O-])[nH]3)c21 ZINC001601124862 1095528973 /nfs/dbraw/zinc/52/89/73/1095528973.db2.gz WGWHWTLYJIOJFW-UHFFFAOYSA-N -1 0 345.318 2.866 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001601124899 1095529056 /nfs/dbraw/zinc/52/90/56/1095529056.db2.gz XRZVROKSSPITRL-JKSUJKDBSA-N -1 0 338.338 2.815 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001601124531 1095529076 /nfs/dbraw/zinc/52/90/76/1095529076.db2.gz OMNIKSRNYGWNNL-RBUKOAKNSA-N -1 0 346.386 2.945 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001601124495 1095529088 /nfs/dbraw/zinc/52/90/88/1095529088.db2.gz NKNBDUWUEXUJRN-ZWKOTPCHSA-N -1 0 334.375 2.719 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001601124977 1095529421 /nfs/dbraw/zinc/52/94/21/1095529421.db2.gz AEMVGZTXIGVELJ-OAGJVSPASA-N -1 0 332.359 2.862 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001601124580 1095529432 /nfs/dbraw/zinc/52/94/32/1095529432.db2.gz UCCXNNOWBJLHQY-JXFKEZNVSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1 ZINC001601124643 1095529493 /nfs/dbraw/zinc/52/94/93/1095529493.db2.gz PVNHKFPQIGNDOD-XJTKPRQNSA-N -1 0 325.364 2.704 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601124358 1095529573 /nfs/dbraw/zinc/52/95/73/1095529573.db2.gz MHAICVILCCGDCI-CJNGLKHVSA-N -1 0 334.322 2.506 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001601127132 1095530053 /nfs/dbraw/zinc/53/00/53/1095530053.db2.gz CUZXSUDPVSXPJO-ZDUSSCGKSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccnnc1N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001601128509 1095530914 /nfs/dbraw/zinc/53/09/14/1095530914.db2.gz PLTHNHMRKRBKCW-UHFFFAOYSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1cccn(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)c1=O ZINC001601127292 1095530925 /nfs/dbraw/zinc/53/09/25/1095530925.db2.gz GSYYRCBTTDQGCT-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001601125002 1095530995 /nfs/dbraw/zinc/53/09/95/1095530995.db2.gz AVCGHRAZMCWNJP-VMPITWQZSA-N -1 0 341.754 2.634 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001601125789 1095531023 /nfs/dbraw/zinc/53/10/23/1095531023.db2.gz JWOFXQMJDRTWIL-DANTVBBOSA-N -1 0 326.377 2.965 20 30 EFEDRM N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001601127787 1095531110 /nfs/dbraw/zinc/53/11/10/1095531110.db2.gz RQSDCDMPTFTYGQ-CQSZACIVSA-N -1 0 344.367 2.862 20 30 EFEDRM N#Cc1ccccc1N(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CCC1 ZINC001601125323 1095531184 /nfs/dbraw/zinc/53/11/84/1095531184.db2.gz JBOILMMKOFEDBF-GOEBONIOSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1csc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001601130143 1095532344 /nfs/dbraw/zinc/53/23/44/1095532344.db2.gz AVIUONFHBPRHFB-GFCCVEGCSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1cncc(N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)n1 ZINC001601131003 1095532841 /nfs/dbraw/zinc/53/28/41/1095532841.db2.gz QMXBQIRUFVVKJY-UHFFFAOYSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601129439 1095532925 /nfs/dbraw/zinc/53/29/25/1095532925.db2.gz DYUFKDDQOJVFHM-UHFFFAOYSA-N -1 0 343.364 2.744 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001601128728 1095533059 /nfs/dbraw/zinc/53/30/59/1095533059.db2.gz CALJELVVACLNSM-DYEKYZERSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1ccsc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601129708 1095533143 /nfs/dbraw/zinc/53/31/43/1095533143.db2.gz ORSLNWKYXKGNEC-NSHDSACASA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1csc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001601132297 1095534156 /nfs/dbraw/zinc/53/41/56/1095534156.db2.gz PPCMGOUTEMMRFG-GFCCVEGCSA-N -1 0 341.314 2.949 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(C(=O)[O-])o1 ZINC001601131210 1095534306 /nfs/dbraw/zinc/53/43/06/1095534306.db2.gz SPBVZGDXGAENMZ-UHFFFAOYSA-N -1 0 347.252 2.849 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(Cc2nccs2)CC1 ZINC001601132624 1095534392 /nfs/dbraw/zinc/53/43/92/1095534392.db2.gz AEUAEDRXWPMFQK-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H]1CC=C(C(=O)[O-])C1 ZINC001601131192 1095534547 /nfs/dbraw/zinc/53/45/47/1095534547.db2.gz RYYSUYTXVLKPEJ-NSHDSACASA-N -1 0 345.305 2.715 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC2(CC1)OCCc1ccccc12 ZINC001601133389 1095534661 /nfs/dbraw/zinc/53/46/61/1095534661.db2.gz OHFRXVNAOGXVFD-UHFFFAOYSA-N -1 0 349.390 2.720 20 30 EFEDRM N#Cc1ncc(N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nc1C#N ZINC001601133962 1095535664 /nfs/dbraw/zinc/53/56/64/1095535664.db2.gz AMFLWUXQEQQTPU-DZGCQCFKSA-N -1 0 347.378 2.595 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1c(F)cc(F)c(F)c1F ZINC001601134483 1095535812 /nfs/dbraw/zinc/53/58/12/1095535812.db2.gz GBSDKIRUYLVAGF-UHFFFAOYSA-N -1 0 325.221 2.820 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(Cn2cccn2)cc1 ZINC001601134157 1095536090 /nfs/dbraw/zinc/53/60/90/1095536090.db2.gz AKDLRHGBKWPHEO-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1sc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])nc1Cl ZINC001601136359 1095536102 /nfs/dbraw/zinc/53/61/02/1095536102.db2.gz OWVJGSMWTGPULI-VIFPVBQESA-N -1 0 341.751 2.751 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001601135724 1095536221 /nfs/dbraw/zinc/53/62/21/1095536221.db2.gz LDRREHDCEDRPDR-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1ncc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nc1C#N ZINC001601133964 1095536372 /nfs/dbraw/zinc/53/63/72/1095536372.db2.gz AMFLWUXQEQQTPU-UKRRQHHQSA-N -1 0 347.378 2.595 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccnc(N2CCCCC2)c1 ZINC001601135097 1095536678 /nfs/dbraw/zinc/53/66/78/1095536678.db2.gz WSVADMGJVWBLDD-UHFFFAOYSA-N -1 0 337.383 2.649 20 30 EFEDRM Nc1nc(Cl)cc(N=NC2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC001601220150 1095561408 /nfs/dbraw/zinc/56/14/08/1095561408.db2.gz DEEMENQHHKDJMS-SECBINFHSA-N -1 0 325.800 2.925 20 30 EFEDRM O=C([O-])[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001601224121 1095562988 /nfs/dbraw/zinc/56/29/88/1095562988.db2.gz QVIXYZREJBUMGM-MRXNPFEDSA-N -1 0 347.292 2.999 20 30 EFEDRM O=C([O-])c1cc(Cl)cc(NC(=O)NCC#C[C@@H]2CCCCO2)c1 ZINC001601447431 1095677729 /nfs/dbraw/zinc/67/77/29/1095677729.db2.gz HWVBPLOQVXEQLL-AWEZNQCLSA-N -1 0 336.775 2.732 20 30 EFEDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001601528034 1095717535 /nfs/dbraw/zinc/71/75/35/1095717535.db2.gz VKWPDYJDYGYDRB-CZUORRHYSA-N -1 0 340.404 2.990 20 30 EFEDRM O=C([O-])[C@H](C[C@H]1CCCO1)/N=C\c1cc(Br)ccc1O ZINC001601646176 1095782947 /nfs/dbraw/zinc/78/29/47/1095782947.db2.gz LIFYHPXYNXEUHN-XDQSQARBSA-N -1 0 342.189 2.596 20 30 EFEDRM O=C([O-])CC1(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CCCC1 ZINC001601915428 1095974071 /nfs/dbraw/zinc/97/40/71/1095974071.db2.gz MAUCYJAILZVEJU-VMPITWQZSA-N -1 0 333.359 2.559 20 30 EFEDRM O=C([O-])CCCCC(=NOCc1nnc2n1CCCC2)C(F)(F)F ZINC001601981996 1096004574 /nfs/dbraw/zinc/00/45/74/1096004574.db2.gz YBWDUCCYTSCSJV-UHFFFAOYSA-N -1 0 348.325 2.694 20 30 EFEDRM O=C([O-])CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC001602048796 1096038026 /nfs/dbraw/zinc/03/80/26/1096038026.db2.gz AVLJMHXHDWQFTH-FLIBITNWSA-N -1 0 327.311 2.526 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)cc1 ZINC001602080190 1096049403 /nfs/dbraw/zinc/04/94/03/1096049403.db2.gz FIJYJCDFIZXGSR-KMKOMSMNSA-N -1 0 349.346 2.627 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C\c1ncc(C(F)(F)F)s1)C2=O ZINC001602306010 1096169007 /nfs/dbraw/zinc/16/90/07/1096169007.db2.gz ITXWNIOPYRUSFX-ZZXKWVIFSA-N -1 0 343.286 2.727 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C/c1ccc(C(F)(F)F)[nH]1)C2=O ZINC001602306505 1096169158 /nfs/dbraw/zinc/16/91/58/1096169158.db2.gz WYNCDJQORNTPEM-ALCCZGGFSA-N -1 0 325.246 2.598 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2nc(Br)ccc2F)[nH]1 ZINC001602330588 1096182719 /nfs/dbraw/zinc/18/27/19/1096182719.db2.gz HQEMHKIZSRUBTC-GORDUTHDSA-N -1 0 339.120 2.906 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2cnn(CC(F)F)c2)cc1Cl ZINC001602382726 1096216388 /nfs/dbraw/zinc/21/63/88/1096216388.db2.gz ZBODPJXLGVUODI-UHFFFAOYSA-N -1 0 328.706 2.946 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@]23CCO[C@@H]2CCCC3)c1 ZINC001602430789 1096241215 /nfs/dbraw/zinc/24/12/15/1096241215.db2.gz QYVLCFCJLJZCGS-APWZRJJASA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@H]2CCOC3(CCC3)C2)c1 ZINC001602431098 1096242023 /nfs/dbraw/zinc/24/20/23/1096242023.db2.gz VZCCBJRXCALFAF-MRXNPFEDSA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C/c2ccccc2-n2cncn2)c1 ZINC001602557957 1096298280 /nfs/dbraw/zinc/29/82/80/1096298280.db2.gz FYJRJRUGOITSML-AATRIKPKSA-N -1 0 325.349 2.923 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)c1 ZINC001602653327 1096339665 /nfs/dbraw/zinc/33/96/65/1096339665.db2.gz PEDQIQIHXFXFOB-UPHRSURJSA-N -1 0 335.362 2.980 20 30 EFEDRM C#C[C@@H]1CCCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001602677371 1096346146 /nfs/dbraw/zinc/34/61/46/1096346146.db2.gz VROKZCAVCJSOKN-LLVKDONJSA-N -1 0 349.433 2.776 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccccc1 ZINC001602674604 1096346539 /nfs/dbraw/zinc/34/65/39/1096346539.db2.gz TWOMUQDJNSOIQT-GHTZIAJQSA-N -1 0 348.402 2.799 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001602675037 1096346975 /nfs/dbraw/zinc/34/69/75/1096346975.db2.gz YGFOQBDDPSBTNJ-MRXNPFEDSA-N -1 0 348.362 2.617 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC001602677939 1096347591 /nfs/dbraw/zinc/34/75/91/1096347591.db2.gz FWIGPQZZVSRYSY-BFHYXJOUSA-N -1 0 328.195 2.890 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602677968 1096347920 /nfs/dbraw/zinc/34/79/20/1096347920.db2.gz GPZDXRFZKINJLN-CYBMUJFWSA-N -1 0 335.718 2.804 20 30 EFEDRM C#C[C@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001602677426 1096348000 /nfs/dbraw/zinc/34/80/00/1096348000.db2.gz XEEDQIXWRZBQNY-RYUDHWBXSA-N -1 0 334.347 2.555 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC001602677940 1096348491 /nfs/dbraw/zinc/34/84/91/1096348491.db2.gz FWIGPQZZVSRYSY-IHRRRGAJSA-N -1 0 328.195 2.890 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(=C\c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001602684809 1096349330 /nfs/dbraw/zinc/34/93/30/1096349330.db2.gz GOFUKWRUAQNBRD-HGLWPWQMSA-N -1 0 349.386 2.829 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001602685185 1096349631 /nfs/dbraw/zinc/34/96/31/1096349631.db2.gz OLDDOSQRGFAQJO-GOSISDBHSA-N -1 0 338.359 2.941 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001602683663 1096349723 /nfs/dbraw/zinc/34/97/23/1096349723.db2.gz SDZWZVBPHKYFBS-INIZCTEOSA-N -1 0 329.421 2.703 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC001602687841 1096349761 /nfs/dbraw/zinc/34/97/61/1096349761.db2.gz XTHABWBUWSNWOA-JATZPVMKSA-N -1 0 345.704 2.878 20 30 EFEDRM C#CC[C@H](NC(=O)/C(=C\c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001602684808 1096350346 /nfs/dbraw/zinc/35/03/46/1096350346.db2.gz GOFUKWRUAQNBRD-DNKLCNGGSA-N -1 0 349.386 2.829 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc2ccc(Br)cc2c1)C(=O)[O-] ZINC001602693354 1096351010 /nfs/dbraw/zinc/35/10/10/1096351010.db2.gz QIXOXPSUHLTIPY-CQSZACIVSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CC[C@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602693520 1096351586 /nfs/dbraw/zinc/35/15/86/1096351586.db2.gz WNBRCJXPGFEAHF-NSHDSACASA-N -1 0 334.784 2.670 20 30 EFEDRM C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001602701791 1096352893 /nfs/dbraw/zinc/35/28/93/1096352893.db2.gz XKDRLSDOTRIPAW-CYBMUJFWSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCCCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001602705398 1096354863 /nfs/dbraw/zinc/35/48/63/1096354863.db2.gz SZVQSFBIKHORJN-UHFFFAOYSA-N -1 0 343.408 2.972 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001602713632 1096354894 /nfs/dbraw/zinc/35/48/94/1096354894.db2.gz NGQMIRXIYNXQEG-UHFFFAOYSA-N -1 0 341.454 2.711 20 30 EFEDRM C#CCCCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602705378 1096354958 /nfs/dbraw/zinc/35/49/58/1096354958.db2.gz RLCRVYXSXZQNQR-UHFFFAOYSA-N -1 0 346.475 2.971 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001602708247 1096355066 /nfs/dbraw/zinc/35/50/66/1096355066.db2.gz KICPOJUBOUREKR-UHFFFAOYSA-N -1 0 335.359 2.943 20 30 EFEDRM C#CCCCC(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001602702821 1096355165 /nfs/dbraw/zinc/35/51/65/1096355165.db2.gz LEWXCFWRWKKZQW-UHFFFAOYSA-N -1 0 325.158 2.994 20 30 EFEDRM C#CCN(C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)C1CCCCC1 ZINC001602711836 1096355206 /nfs/dbraw/zinc/35/52/06/1096355206.db2.gz WADVQADUHBTORR-UHFFFAOYSA-N -1 0 349.818 2.911 20 30 EFEDRM C#CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCCc2ccccc21 ZINC001602713637 1096355410 /nfs/dbraw/zinc/35/54/10/1096355410.db2.gz NLIYGNUGYSWBAQ-GOSISDBHSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[nH]n1 ZINC001602711143 1096355664 /nfs/dbraw/zinc/35/56/64/1096355664.db2.gz JPOOEKGGKYGGRO-UHFFFAOYSA-N -1 0 332.433 2.761 20 30 EFEDRM C#CCCCCNC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001602711245 1096355756 /nfs/dbraw/zinc/35/57/56/1096355756.db2.gz OIRGSTYBCIEJBC-UHFFFAOYSA-N -1 0 337.427 2.598 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1CC(C)C ZINC001602710804 1096355789 /nfs/dbraw/zinc/35/57/89/1096355789.db2.gz PLIYRHRWEWMNAS-INIZCTEOSA-N -1 0 346.475 2.971 20 30 EFEDRM C#CCOc1ccc(CNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001602730441 1096356298 /nfs/dbraw/zinc/35/62/98/1096356298.db2.gz JLLYJOOOZMBLAB-UHFFFAOYSA-N -1 0 344.411 2.533 20 30 EFEDRM C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001602730612 1096356548 /nfs/dbraw/zinc/35/65/48/1096356548.db2.gz VMDHEBZDUJGXJO-UHFFFAOYSA-N -1 0 330.365 2.780 20 30 EFEDRM C#CCOc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001602730434 1096356594 /nfs/dbraw/zinc/35/65/94/1096356594.db2.gz IYGKWOVNARVIBC-UHFFFAOYSA-N -1 0 329.396 2.996 20 30 EFEDRM C#CCO[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001602725332 1096357256 /nfs/dbraw/zinc/35/72/56/1096357256.db2.gz AHAMGQAZBJJGPO-NOZJJQNGSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001602730335 1096357439 /nfs/dbraw/zinc/35/74/39/1096357439.db2.gz BSSNHAYMCAIUNQ-XQRVVYSFSA-N -1 0 329.283 2.781 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])cn1 ZINC001602739924 1096359201 /nfs/dbraw/zinc/35/92/01/1096359201.db2.gz RUAGGJHZBKJPNY-UHFFFAOYSA-N -1 0 337.360 2.932 20 30 EFEDRM C#Cc1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC001602738859 1096359514 /nfs/dbraw/zinc/35/95/14/1096359514.db2.gz PRWUFMZNOBTKIR-UHFFFAOYSA-N -1 0 331.331 2.804 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001602743563 1096360110 /nfs/dbraw/zinc/36/01/10/1096360110.db2.gz QXANQTLKGXXQCL-UHFFFAOYSA-N -1 0 339.347 2.565 20 30 EFEDRM C#CCn1ccc(CN(CC)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001602738191 1096360280 /nfs/dbraw/zinc/36/02/80/1096360280.db2.gz NVWOCBNXKRUXGJ-MRXNPFEDSA-N -1 0 349.793 2.957 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC001602739308 1096360296 /nfs/dbraw/zinc/36/02/96/1096360296.db2.gz BHADOOBGPUUJBR-UHFFFAOYSA-N -1 0 325.320 2.636 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001602738901 1096360314 /nfs/dbraw/zinc/36/03/14/1096360314.db2.gz QZSRSXQGQWITIN-MRXNPFEDSA-N -1 0 328.412 2.700 20 30 EFEDRM C#Cc1cncc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001602743265 1096360341 /nfs/dbraw/zinc/36/03/41/1096360341.db2.gz KURFTCCQSRLREF-UHFFFAOYSA-N -1 0 348.402 2.856 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2c(F)cccc2F)no1)C(=O)[O-] ZINC001602748994 1096361032 /nfs/dbraw/zinc/36/10/32/1096361032.db2.gz MLWXFSULLJAFPQ-LBPRGKRZSA-N -1 0 336.294 2.769 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001602747574 1096361473 /nfs/dbraw/zinc/36/14/73/1096361473.db2.gz VYKOAFODENUQLT-ZDUSSCGKSA-N -1 0 332.400 2.762 20 30 EFEDRM C=C(C)[C@@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1ccc(F)c(F)c1 ZINC001602746674 1096361953 /nfs/dbraw/zinc/36/19/53/1096361953.db2.gz FIGOQXSFIFHCHB-FDRIWYBQSA-N -1 0 336.338 2.554 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC001602744726 1096362213 /nfs/dbraw/zinc/36/22/13/1096362213.db2.gz MFIAOFYAFUMTHL-UHFFFAOYSA-N -1 0 326.377 2.633 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(F)cc(Br)c1)C(=O)[O-] ZINC001602754348 1096362924 /nfs/dbraw/zinc/36/29/24/1096362924.db2.gz GOQKLAXYDARAEU-NSHDSACASA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCOc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602750420 1096363039 /nfs/dbraw/zinc/36/30/39/1096363039.db2.gz RSEFLMZOSUVSRF-KRWDZBQOSA-N -1 0 331.412 2.870 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)C(=O)[O-] ZINC001602749275 1096363381 /nfs/dbraw/zinc/36/33/81/1096363381.db2.gz RVZCNRKBKMXYNJ-QLFBSQMISA-N -1 0 331.416 2.588 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(=O)[O-] ZINC001602754452 1096363548 /nfs/dbraw/zinc/36/35/48/1096363548.db2.gz JYIHCZXSERPCEZ-MRXNPFEDSA-N -1 0 325.368 2.601 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)C(=O)[O-] ZINC001602754462 1096364075 /nfs/dbraw/zinc/36/40/75/1096364075.db2.gz KDTLIMBMQNADKG-QGZVFWFLSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)C(=O)[O-] ZINC001602749276 1096364184 /nfs/dbraw/zinc/36/41/84/1096364184.db2.gz RVZCNRKBKMXYNJ-ZNMIVQPWSA-N -1 0 331.416 2.588 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC001602757053 1096364396 /nfs/dbraw/zinc/36/43/96/1096364396.db2.gz FBWOHUMUVDFGQC-NSHDSACASA-N -1 0 349.861 2.760 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001602762038 1096365624 /nfs/dbraw/zinc/36/56/24/1096365624.db2.gz OHTLAUMPRGMLBX-ZDUSSCGKSA-N -1 0 333.384 2.663 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001602762228 1096365687 /nfs/dbraw/zinc/36/56/87/1096365687.db2.gz ZCHGCRDUEBLYBM-ZDUSSCGKSA-N -1 0 348.418 2.695 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602765870 1096366137 /nfs/dbraw/zinc/36/61/37/1096366137.db2.gz MTXZSGJCHSFYNQ-OAHLLOKOSA-N -1 0 326.400 2.822 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001602762227 1096366651 /nfs/dbraw/zinc/36/66/51/1096366651.db2.gz ZCHGCRDUEBLYBM-CYBMUJFWSA-N -1 0 348.418 2.695 20 30 EFEDRM C=C(CC(C)C)C(=O)Nc1n[nH]c2cc(-c3nn[nH]n3)c(C)cc21 ZINC001602769609 1096367530 /nfs/dbraw/zinc/36/75/30/1096367530.db2.gz BHGVFAMMIFKGMY-UHFFFAOYSA-N -1 0 325.376 2.592 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(Br)cc1-c1nn[nH]n1 ZINC001602773187 1096368145 /nfs/dbraw/zinc/36/81/45/1096368145.db2.gz OWYWICZNYVQNAR-PHIMTYICSA-N -1 0 347.220 2.712 20 30 EFEDRM C=C(C)Cn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1C(C)(F)F ZINC001602771261 1096368167 /nfs/dbraw/zinc/36/81/67/1096368167.db2.gz QAGKSFCGGDTNEA-HZMBPMFUSA-N -1 0 328.363 2.513 20 30 EFEDRM C=C(C)Cn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001602771236 1096368272 /nfs/dbraw/zinc/36/82/72/1096368272.db2.gz PFVTXSKOXDXQBN-UGSOOPFHSA-N -1 0 345.447 2.592 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001602777924 1096368477 /nfs/dbraw/zinc/36/84/77/1096368477.db2.gz ITVOAXUUZSGETE-NSHDSACASA-N -1 0 347.346 2.782 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001602774777 1096368769 /nfs/dbraw/zinc/36/87/69/1096368769.db2.gz WTXQYRRLXAQRRO-UHFFFAOYSA-N -1 0 342.436 2.511 20 30 EFEDRM C=C[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC001602780425 1096369274 /nfs/dbraw/zinc/36/92/74/1096369274.db2.gz MVFDDMAUSPHKHP-ZDUSSCGKSA-N -1 0 325.397 2.514 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001602782179 1096369351 /nfs/dbraw/zinc/36/93/51/1096369351.db2.gz JQRYGPHIKLCWOC-NSHDSACASA-N -1 0 340.782 2.595 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCCc1cccc(Br)c1 ZINC001602784425 1096370472 /nfs/dbraw/zinc/37/04/72/1096370472.db2.gz SUTUWRQHMLAWHS-UHFFFAOYSA-N -1 0 340.217 2.919 20 30 EFEDRM C=CC(C)(C)CC(=O)Nc1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC001602786802 1096370116 /nfs/dbraw/zinc/37/01/16/1096370116.db2.gz KLISNWQGMVRJST-UHFFFAOYSA-N -1 0 326.404 2.681 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001602786944 1096370184 /nfs/dbraw/zinc/37/01/84/1096370184.db2.gz RGBXAZAEMHIYDE-ZHACJKMWSA-N -1 0 325.416 2.989 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC001602785820 1096370374 /nfs/dbraw/zinc/37/03/74/1096370374.db2.gz LHVQAASKCCSGQC-UHFFFAOYSA-N -1 0 344.289 2.937 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC)c(Br)c1 ZINC001602786109 1096370554 /nfs/dbraw/zinc/37/05/54/1096370554.db2.gz UXOSEBQGCVMJSG-UHFFFAOYSA-N -1 0 328.162 2.817 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1sccc1Br ZINC001602783546 1096370757 /nfs/dbraw/zinc/37/07/57/1096370757.db2.gz GRTRRKGHRJFMLG-UHFFFAOYSA-N -1 0 332.219 2.590 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1 ZINC001602787024 1096370823 /nfs/dbraw/zinc/37/08/23/1096370823.db2.gz VUMNDVKLGCWGOI-UHFFFAOYSA-N -1 0 327.432 2.863 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001602791605 1096371546 /nfs/dbraw/zinc/37/15/46/1096371546.db2.gz XPVPOGKHXJUACR-BETUJISGSA-N -1 0 344.367 2.886 20 30 EFEDRM C=C1CCC(CNC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC001602792273 1096371737 /nfs/dbraw/zinc/37/17/37/1096371737.db2.gz UEXOGHYWSFGPDU-AWEZNQCLSA-N -1 0 334.338 2.781 20 30 EFEDRM C=C1CN(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)C1 ZINC001602796548 1096372481 /nfs/dbraw/zinc/37/24/81/1096372481.db2.gz VGCCCAOTZFJASV-UHFFFAOYSA-N -1 0 329.381 2.841 20 30 EFEDRM C=C(Cl)CNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001602791487 1096372686 /nfs/dbraw/zinc/37/26/86/1096372686.db2.gz RMXZJVFDKXVFDE-NWDGAFQWSA-N -1 0 344.745 2.527 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001602804373 1096374129 /nfs/dbraw/zinc/37/41/29/1096374129.db2.gz NYSDWJMPKSUHFR-JSGCOSHPSA-N -1 0 331.441 2.614 20 30 EFEDRM C=C[C@H](N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC)C(=O)[O-] ZINC001602816189 1096374783 /nfs/dbraw/zinc/37/47/83/1096374783.db2.gz KAVDAHQWCPXOHF-STQMWFEESA-N -1 0 346.210 2.696 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1CC ZINC001602810536 1096375064 /nfs/dbraw/zinc/37/50/64/1096375064.db2.gz ZHVXXLCBGGRXLO-UONOGXRCSA-N -1 0 332.448 2.600 20 30 EFEDRM C=C[C@H](OC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001602826629 1096377218 /nfs/dbraw/zinc/37/72/18/1096377218.db2.gz FMTOOLDPDSCDQU-AWEZNQCLSA-N -1 0 331.324 2.666 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001602828325 1096377285 /nfs/dbraw/zinc/37/72/85/1096377285.db2.gz AXVMTAVSDQHDHD-NSHDSACASA-N -1 0 329.805 2.767 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001602836068 1096380845 /nfs/dbraw/zinc/38/08/45/1096380845.db2.gz DNJDUFQSEUOSKV-LBPRGKRZSA-N -1 0 332.400 2.532 20 30 EFEDRM C=CC[C@@H](N[C@@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602841795 1096381951 /nfs/dbraw/zinc/38/19/51/1096381951.db2.gz GRZGWFQYTSEMAD-MSOLQXFVSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccncc1 ZINC001602841998 1096382703 /nfs/dbraw/zinc/38/27/03/1096382703.db2.gz CFHPHEOQZRXTTA-QGZVFWFLSA-N -1 0 339.395 2.939 20 30 EFEDRM C=CC[C@@H](Cn1c(C)nnc1N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602842667 1096382759 /nfs/dbraw/zinc/38/27/59/1096382759.db2.gz MLFLSOHYFGJPAI-IRXDYDNUSA-N -1 0 340.427 2.857 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)C(=O)[O-] ZINC001602845140 1096383449 /nfs/dbraw/zinc/38/34/49/1096383449.db2.gz KSAHVRFWIDDONT-WCQYABFASA-N -1 0 329.755 2.654 20 30 EFEDRM C=CC[C@@H](OC(=O)c1sc([C@@H]2CCCOC2)nc1C)C(=O)[O-] ZINC001602850439 1096383714 /nfs/dbraw/zinc/38/37/14/1096383714.db2.gz VIKZPKQSNYJRSG-GHMZBOCLSA-N -1 0 325.386 2.532 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCOCC1 ZINC001602850359 1096384100 /nfs/dbraw/zinc/38/41/00/1096384100.db2.gz XSPNDELPKJIUNE-UHFFFAOYSA-N -1 0 348.355 2.913 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(N2CCCC2=O)ccc1Cl)C(=O)[O-] ZINC001602848809 1096384211 /nfs/dbraw/zinc/38/42/11/1096384211.db2.gz GCYDVUKTCZXXLC-ZDUSSCGKSA-N -1 0 337.759 2.653 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001602848944 1096384328 /nfs/dbraw/zinc/38/43/28/1096384328.db2.gz IDBBVIDOSFDOLM-OAHLLOKOSA-N -1 0 339.351 2.650 20 30 EFEDRM C=CC[C@H](OC(=O)c1sc([C@@H]2CCCOC2)nc1C)C(=O)[O-] ZINC001602850442 1096384612 /nfs/dbraw/zinc/38/46/12/1096384612.db2.gz VIKZPKQSNYJRSG-MNOVXSKESA-N -1 0 325.386 2.532 20 30 EFEDRM C=CCC1(NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CCCC1 ZINC001602851389 1096384866 /nfs/dbraw/zinc/38/48/66/1096384866.db2.gz JPAKGCJYWTWDMH-UHFFFAOYSA-N -1 0 332.400 2.772 20 30 EFEDRM C=CC[C@@H](OC(=O)c1c(C)c2ccccc2nc1COC)C(=O)[O-] ZINC001602849129 1096384929 /nfs/dbraw/zinc/38/49/29/1096384929.db2.gz LOUBKLNGSVTKNC-OAHLLOKOSA-N -1 0 329.352 2.876 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001602855423 1096385712 /nfs/dbraw/zinc/38/57/12/1096385712.db2.gz QHZKBLFUNFMVDE-AWEZNQCLSA-N -1 0 329.462 2.639 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001602856103 1096385964 /nfs/dbraw/zinc/38/59/64/1096385964.db2.gz UMXIDQVWXFXJBV-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)c1ccccc1 ZINC001602856202 1096385979 /nfs/dbraw/zinc/38/59/79/1096385979.db2.gz YFSNPBMXYGJCLC-IKGGRYGDSA-N -1 0 331.412 2.590 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602855688 1096386054 /nfs/dbraw/zinc/38/60/54/1096386054.db2.gz XIPHEYWSFVJNBD-VXGBXAGGSA-N -1 0 332.404 2.784 20 30 EFEDRM C=CCC[C@H]1NC(=O)N([C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602860624 1096386897 /nfs/dbraw/zinc/38/68/97/1096386897.db2.gz JSYBOXQTHFNWNN-KGLIPLIRSA-N -1 0 330.384 2.725 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602860762 1096386960 /nfs/dbraw/zinc/38/69/60/1096386960.db2.gz PCSYADWXZGBOPM-DIODGJHASA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC001602860613 1096386975 /nfs/dbraw/zinc/38/69/75/1096386975.db2.gz JILFVCDRNSJYAB-UHFFFAOYSA-N -1 0 344.458 2.646 20 30 EFEDRM C=CCC[C@@H]1NC(=O)N([C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602860623 1096387668 /nfs/dbraw/zinc/38/76/68/1096387668.db2.gz JSYBOXQTHFNWNN-KBPBESRZSA-N -1 0 330.384 2.725 20 30 EFEDRM C=CCN(Cc1nccn1C1CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602860034 1096388280 /nfs/dbraw/zinc/38/82/80/1096388280.db2.gz RURJBGAOHSWJCX-UHFFFAOYSA-N -1 0 335.415 2.586 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC001602862898 1096388617 /nfs/dbraw/zinc/38/86/17/1096388617.db2.gz JPZDPSHQNIAVCW-TZMCWYRMSA-N -1 0 337.803 2.817 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC)C(=O)[O-] ZINC001602864992 1096388625 /nfs/dbraw/zinc/38/86/25/1096388625.db2.gz CHRSLUZXFIPOKV-STQMWFEESA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCC(=O)[O-] ZINC001602865264 1096388869 /nfs/dbraw/zinc/38/88/69/1096388869.db2.gz HGHZQWKSULFYAU-CYBMUJFWSA-N -1 0 342.436 2.559 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSc1nc2ccccc2o1)C(=O)[O-] ZINC001602866141 1096389043 /nfs/dbraw/zinc/38/90/43/1096389043.db2.gz YJHXDYFVRNOLQV-LBPRGKRZSA-N -1 0 334.397 2.846 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(F)c(Br)c1)C(=O)[O-] ZINC001602869311 1096389193 /nfs/dbraw/zinc/38/91/93/1096389193.db2.gz CPXHLGJLRHTKKO-JTQLQIEISA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC001602865495 1096389610 /nfs/dbraw/zinc/38/96/10/1096389610.db2.gz LKZQSDWVSLPVAL-OAHLLOKOSA-N -1 0 345.355 2.544 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)C(C)C)cc1)C(=O)[O-] ZINC001602869597 1096389767 /nfs/dbraw/zinc/38/97/67/1096389767.db2.gz CRLXKCKDNQTQNV-OAHLLOKOSA-N -1 0 332.400 2.820 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001602874904 1096390251 /nfs/dbraw/zinc/39/02/51/1096390251.db2.gz IWIHAWKCLBTYET-UHFFFAOYSA-N -1 0 338.791 2.791 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(N=S(C)(C)=O)c1)C(=O)[O-] ZINC001602870321 1096390423 /nfs/dbraw/zinc/39/04/23/1096390423.db2.gz GHSPYFWKBKWYIJ-AWEZNQCLSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC001602874804 1096390440 /nfs/dbraw/zinc/39/04/40/1096390440.db2.gz BCRVLDHMNHAAIM-OAHLLOKOSA-N -1 0 325.430 2.820 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001602881498 1096391431 /nfs/dbraw/zinc/39/14/31/1096391431.db2.gz YHWNCOKBAUZILS-MRVPVSSYSA-N -1 0 332.278 2.718 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001602880477 1096391669 /nfs/dbraw/zinc/39/16/69/1096391669.db2.gz OICMBIDHZUQKAP-UHFFFAOYSA-N -1 0 344.371 2.660 20 30 EFEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001602894480 1096392909 /nfs/dbraw/zinc/39/29/09/1096392909.db2.gz FWXGAKXMGMEFAZ-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(F)c(C#N)c2Cl)C(C(=O)[O-])=C1C ZINC001602898237 1096393939 /nfs/dbraw/zinc/39/39/39/1096393939.db2.gz NIDKVZDYOFQXLF-CQSZACIVSA-N -1 0 349.749 2.962 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)s1 ZINC001602905057 1096395274 /nfs/dbraw/zinc/39/52/74/1096395274.db2.gz RZUAAAWISXLJNR-UHFFFAOYSA-N -1 0 329.381 2.642 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001602909848 1096396793 /nfs/dbraw/zinc/39/67/93/1096396793.db2.gz KASKBSWUZXUNOO-RHSMWYFYSA-N -1 0 333.428 2.761 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001602910221 1096397429 /nfs/dbraw/zinc/39/74/29/1096397429.db2.gz QXVQHRJRDUIZNM-TUAOUCFPSA-N -1 0 337.338 2.517 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2cccc(C)c2nc1Cl)C(=O)[O-] ZINC001602913019 1096399983 /nfs/dbraw/zinc/39/99/83/1096399983.db2.gz GLINCSJLXIWTOL-ZDUSSCGKSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001602913491 1096400321 /nfs/dbraw/zinc/40/03/21/1096400321.db2.gz SEJQEWSGDOPVFD-KRWDZBQOSA-N -1 0 341.363 2.865 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c1 ZINC001602921827 1096400981 /nfs/dbraw/zinc/40/09/81/1096400981.db2.gz VABZDMMVVMNNFR-KOZAUXTDSA-N -1 0 330.384 2.872 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001602921883 1096401301 /nfs/dbraw/zinc/40/13/01/1096401301.db2.gz VZQQIAJRHAZPHG-UHFFFAOYSA-N -1 0 332.400 2.696 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001602925828 1096401489 /nfs/dbraw/zinc/40/14/89/1096401489.db2.gz BESGDOVRTBZUAK-RISCZKNCSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCn1c(CCC)nnc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001602935310 1096402345 /nfs/dbraw/zinc/40/23/45/1096402345.db2.gz GCPOBGURUYMERG-MNOVXSKESA-N -1 0 346.353 2.506 20 30 EFEDRM C=CCn1c(-c2cc(F)ccc2C)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001602929825 1096402799 /nfs/dbraw/zinc/40/27/99/1096402799.db2.gz FQDIPIUKPHLOCS-QGZVFWFLSA-N -1 0 348.353 2.582 20 30 EFEDRM C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602931577 1096403000 /nfs/dbraw/zinc/40/30/00/1096403000.db2.gz ZANYYORCRDLRTE-HOTGVXAUSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@@H](CC(=O)[O-])C3CC3)cc21 ZINC001602940581 1096403450 /nfs/dbraw/zinc/40/34/50/1096403450.db2.gz OMJQIFUWJMLOMO-AWEZNQCLSA-N -1 0 328.372 2.597 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@H](CC(=O)[O-])C3CC3)cc21 ZINC001602940536 1096403503 /nfs/dbraw/zinc/40/35/03/1096403503.db2.gz NQJZXCULJFQHJC-AWEZNQCLSA-N -1 0 342.399 2.845 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@](C)(CC(=O)[O-])C3CC3)cc2n1 ZINC001602939835 1096404027 /nfs/dbraw/zinc/40/40/27/1096404027.db2.gz DROBIDOUMBBHLK-GOSISDBHSA-N -1 0 342.399 2.987 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001602939949 1096404082 /nfs/dbraw/zinc/40/40/82/1096404082.db2.gz CNFKUJLJPQEIIP-HIFRSBDPSA-N -1 0 329.356 2.721 20 30 EFEDRM C=CCn1c(Sc2ncc(C(=O)[O-])cn2)nnc1-c1ccoc1C ZINC001602937592 1096404110 /nfs/dbraw/zinc/40/41/10/1096404110.db2.gz BETHNKJMJXYCBL-UHFFFAOYSA-N -1 0 343.368 2.672 20 30 EFEDRM CC#CCCCC(=O)O[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602947156 1096405146 /nfs/dbraw/zinc/40/51/46/1096405146.db2.gz OUMPAMLVHPVEEW-LLVKDONJSA-N -1 0 337.397 2.819 20 30 EFEDRM CC(=NOCc1nc(C(C)C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001602993591 1096418391 /nfs/dbraw/zinc/41/83/91/1096418391.db2.gz MYMQKBMYGXKJSU-UHFFFAOYSA-N -1 0 333.344 2.597 20 30 EFEDRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC001603103570 1096442147 /nfs/dbraw/zinc/44/21/47/1096442147.db2.gz QUZFJYQFSRICNL-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCC2CCSCC2)o1 ZINC001603122479 1096451119 /nfs/dbraw/zinc/45/11/19/1096451119.db2.gz MKKIECBWFFAZCL-UHFFFAOYSA-N -1 0 335.437 2.693 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001603131373 1096454613 /nfs/dbraw/zinc/45/46/13/1096454613.db2.gz AVAPBSQUMWPIDD-QJPTWQEYSA-N -1 0 333.413 2.781 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001603132100 1096454953 /nfs/dbraw/zinc/45/49/53/1096454953.db2.gz RFEHXFXEYSVTID-VIFPVBQESA-N -1 0 331.353 2.877 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001603132215 1096455156 /nfs/dbraw/zinc/45/51/56/1096455156.db2.gz UIEAUKBPCZQFGX-DGCLKSJQSA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CC(=O)[O-])CC1 ZINC001603174386 1096466468 /nfs/dbraw/zinc/46/64/68/1096466468.db2.gz FNVAFUGLWWHFDI-NSHDSACASA-N -1 0 349.818 2.725 20 30 EFEDRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCC1)c1cc(F)cc(C#N)c1 ZINC001603234833 1096480550 /nfs/dbraw/zinc/48/05/50/1096480550.db2.gz CSPBWCWBEXBSKQ-UHFFFAOYSA-N -1 0 332.375 2.736 20 30 EFEDRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001603240082 1096482759 /nfs/dbraw/zinc/48/27/59/1096482759.db2.gz SKVCQEPINMHRPY-UHFFFAOYSA-N -1 0 338.363 2.938 20 30 EFEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)COc2ccc(C#N)cc2)c1 ZINC001603274798 1096491308 /nfs/dbraw/zinc/49/13/08/1096491308.db2.gz BRPJCOWFMWJTMH-UHFFFAOYSA-N -1 0 339.347 2.905 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc(C#N)cc2F)n1 ZINC001603281106 1096494804 /nfs/dbraw/zinc/49/48/04/1096494804.db2.gz MFQLKOJGDJWOIC-UHFFFAOYSA-N -1 0 333.344 2.768 20 30 EFEDRM CC(C)(C)C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001603326596 1096505409 /nfs/dbraw/zinc/50/54/09/1096505409.db2.gz BOPSKFJRWHPCNZ-JTQLQIEISA-N -1 0 343.305 2.591 20 30 EFEDRM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001603365367 1096513999 /nfs/dbraw/zinc/51/39/99/1096513999.db2.gz ISTUGXWRBFJYGV-GFCCVEGCSA-N -1 0 345.399 2.600 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)o2)n1 ZINC001603406444 1096521645 /nfs/dbraw/zinc/52/16/45/1096521645.db2.gz KTLHIQGJZKULBA-MRVPVSSYSA-N -1 0 328.357 2.530 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CS[C@H](C(C)C)C2)o1 ZINC001603407039 1096522293 /nfs/dbraw/zinc/52/22/93/1096522293.db2.gz KORVZXVOWIEVSI-JTQLQIEISA-N -1 0 335.437 2.908 20 30 EFEDRM CC(C)(C)c1ccc(C#N)c(OCc2noc(CCCC(=O)[O-])n2)n1 ZINC001603534609 1096546298 /nfs/dbraw/zinc/54/62/98/1096546298.db2.gz ZCTCRUQKWQSEQW-UHFFFAOYSA-N -1 0 344.371 2.620 20 30 EFEDRM CC(C)(CC#N)CNc1ncnc(NCC(C)(C)CC#N)c1C(=O)[O-] ZINC001603575765 1096556712 /nfs/dbraw/zinc/55/67/12/1096556712.db2.gz GDLHLTYKVINOQE-UHFFFAOYSA-N -1 0 344.419 2.878 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603743655 1096610611 /nfs/dbraw/zinc/61/06/11/1096610611.db2.gz KCFMEUASBGPLAL-SIIHOXLZSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)[C@H]1C[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001603750635 1096612993 /nfs/dbraw/zinc/61/29/93/1096612993.db2.gz RABPOCNSUMKFKN-MLGOLLRUSA-N -1 0 331.368 2.751 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001603856194 1096645214 /nfs/dbraw/zinc/64/52/14/1096645214.db2.gz FQSNIEIHOWXKCE-SOUVJXGZSA-N -1 0 347.463 2.888 20 30 EFEDRM C[C@H]1C[C@H](CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603850971 1096645769 /nfs/dbraw/zinc/64/57/69/1096645769.db2.gz OSSQMPNPSSSJBD-RYUDHWBXSA-N -1 0 340.435 2.793 20 30 EFEDRM CC(C)N1c2ccccc2C(=NNc2ccc(CC(=O)[O-])cc2)C1=O ZINC001603886814 1096658949 /nfs/dbraw/zinc/65/89/49/1096658949.db2.gz BHLQUECYBBIBRU-UHFFFAOYSA-N -1 0 337.379 2.885 20 30 EFEDRM CC(C)Oc1c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cccc1C(=O)[O-] ZINC001603933924 1096672089 /nfs/dbraw/zinc/67/20/89/1096672089.db2.gz RUGWCUSQTQWAHM-NWDGAFQWSA-N -1 0 331.372 2.986 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1C#N ZINC001603949539 1096678813 /nfs/dbraw/zinc/67/88/13/1096678813.db2.gz FFUQUNBTPQUNPV-VDISTLRHSA-N -1 0 331.372 2.672 20 30 EFEDRM CC(C)[C@H](NC(=O)CON=Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001603974105 1096686037 /nfs/dbraw/zinc/68/60/37/1096686037.db2.gz QWSIATSDMXAZDN-INIZCTEOSA-N -1 0 334.416 2.560 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccn1 ZINC001604077593 1096723163 /nfs/dbraw/zinc/72/31/63/1096723163.db2.gz LJHXLYPGPOWYSA-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@H](CCNc1ccc(C(=O)[O-])nc1C#N)N(C)C(=O)OC(C)(C)C ZINC001604141146 1096750122 /nfs/dbraw/zinc/75/01/22/1096750122.db2.gz DVLSLACLTNJIGH-LLVKDONJSA-N -1 0 348.403 2.709 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001604218037 1096776432 /nfs/dbraw/zinc/77/64/32/1096776432.db2.gz XEBLFAQPVKPSRS-QCSYZSNVSA-N -1 0 340.423 2.839 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC001604291454 1096796829 /nfs/dbraw/zinc/79/68/29/1096796829.db2.gz MTNILNPMPZLJRQ-SNVBAGLBSA-N -1 0 329.381 2.878 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(C#N)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604309055 1096801795 /nfs/dbraw/zinc/80/17/95/1096801795.db2.gz KYWNPHQNKASFOZ-MLGOLLRUSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@H](NC(=O)c1ccc(F)c(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604310268 1096801986 /nfs/dbraw/zinc/80/19/86/1096801986.db2.gz FHAKKROFOJEXGZ-BLLLJJGKSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001604426945 1096849612 /nfs/dbraw/zinc/84/96/12/1096849612.db2.gz LAJDUTKVRQJFJE-SECBINFHSA-N -1 0 345.742 2.711 20 30 EFEDRM C[C@@]1(C#N)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001604484255 1096878198 /nfs/dbraw/zinc/87/81/98/1096878198.db2.gz CZICDOWKVDQBCV-GXTWGEPZSA-N -1 0 329.183 2.734 20 30 EFEDRM C[C@@]1(C#N)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC001604484181 1096878512 /nfs/dbraw/zinc/87/85/12/1096878512.db2.gz CFELIVSKWVXATP-GXTWGEPZSA-N -1 0 329.183 2.734 20 30 EFEDRM CC1(/C=C/C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCOCC1 ZINC001604568837 1096903817 /nfs/dbraw/zinc/90/38/17/1096903817.db2.gz LFIDPMIDVQYADM-AATRIKPKSA-N -1 0 329.352 2.673 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](COc2cc(C#N)ccc2Br)O1 ZINC001604613239 1096914704 /nfs/dbraw/zinc/91/47/04/1096914704.db2.gz GWSUIBREHQISBW-SNVBAGLBSA-N -1 0 338.157 2.847 20 30 EFEDRM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CCCCCC#N ZINC001604620647 1096915735 /nfs/dbraw/zinc/91/57/35/1096915735.db2.gz BBHUAWHUDPYPBQ-NSHDSACASA-N -1 0 329.356 2.532 20 30 EFEDRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001604689296 1096931413 /nfs/dbraw/zinc/93/14/13/1096931413.db2.gz XFQORJTWJVNAGC-JSGCOSHPSA-N -1 0 330.384 2.553 20 30 EFEDRM C[C@@H]1CC[C@@](NC(=O)c2ccc(C#N)cn2)(C(=O)[O-])c2ccccc21 ZINC001604703288 1096935089 /nfs/dbraw/zinc/93/50/89/1096935089.db2.gz HXXXWCPEOBIIGZ-BLVKFPJESA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@H]1CCCc2ncc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)n21 ZINC001604740301 1096945323 /nfs/dbraw/zinc/94/53/23/1096945323.db2.gz ONUJMOAOZUEGLX-MEDUHNTESA-N -1 0 339.351 2.635 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604865287 1096972018 /nfs/dbraw/zinc/97/20/18/1096972018.db2.gz WTPRIVLHJMAESU-CLAHSXSESA-N -1 0 329.183 2.959 20 30 EFEDRM CC[C@@H](C(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001604881945 1096974097 /nfs/dbraw/zinc/97/40/97/1096974097.db2.gz NKLSEQZAPSMWIO-LBPRGKRZSA-N -1 0 330.258 2.591 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001604887170 1096974501 /nfs/dbraw/zinc/97/45/01/1096974501.db2.gz FVXMILUSQHKPCY-INIZCTEOSA-N -1 0 335.791 2.712 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)CSc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001604937294 1096984347 /nfs/dbraw/zinc/98/43/47/1096984347.db2.gz XTMLCGRBGOBABP-OTYXRUKQSA-N -1 0 340.832 2.919 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC001604991774 1096994639 /nfs/dbraw/zinc/99/46/39/1096994639.db2.gz JAYLPNVYMYYRJL-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM CO[C@@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CC1 ZINC001605027784 1097004907 /nfs/dbraw/zinc/00/49/07/1097004907.db2.gz CHBKYUBPUKTLJY-LLVKDONJSA-N -1 0 333.396 2.725 20 30 EFEDRM CC[C@](CNC(=O)Cc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001605033194 1097005934 /nfs/dbraw/zinc/00/59/34/1097005934.db2.gz QJSRZPWURQOUAN-HXUWFJFHSA-N -1 0 336.391 2.650 20 30 EFEDRM CC[C@@](CNC(=O)c1cc(C#N)oc1C)(C(=O)[O-])c1ccccc1 ZINC001605035414 1097007355 /nfs/dbraw/zinc/00/73/55/1097007355.db2.gz CJSQNMHIKJSVIF-SFHVURJKSA-N -1 0 326.352 2.622 20 30 EFEDRM CC[C@@](CNC(=O)Nc1ccnc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605034935 1097007860 /nfs/dbraw/zinc/00/78/60/1097007860.db2.gz JTFSECKPVQLRNM-SFHVURJKSA-N -1 0 338.367 2.507 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(C#N)c2Cl)NC(=S)N1 ZINC001605152112 1097036085 /nfs/dbraw/zinc/03/60/85/1097036085.db2.gz YPEWALMWFSIQIS-GFCCVEGCSA-N -1 0 339.779 2.618 20 30 EFEDRM CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605164613 1097039344 /nfs/dbraw/zinc/03/93/44/1097039344.db2.gz GDGAHSDNPAKYOE-JSGCOSHPSA-N -1 0 336.413 2.504 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001605252623 1097068617 /nfs/dbraw/zinc/06/86/17/1097068617.db2.gz YAYVRLPMIVCPCK-CVEARBPZSA-N -1 0 348.399 2.836 20 30 EFEDRM CCCCC[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605260302 1097071772 /nfs/dbraw/zinc/07/17/72/1097071772.db2.gz NSNTVYFVVVGKOQ-INIZCTEOSA-N -1 0 340.383 2.507 20 30 EFEDRM CCCN(CC(=O)[O-])CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC001605309644 1097090290 /nfs/dbraw/zinc/09/02/90/1097090290.db2.gz ZUDVGRSZTXOQJZ-CYBMUJFWSA-N -1 0 349.456 2.673 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001605317125 1097092820 /nfs/dbraw/zinc/09/28/20/1097092820.db2.gz FAAMCCAVBVWXBB-GJYPPUQNSA-N -1 0 341.411 2.733 20 30 EFEDRM CCCn1nc(C)c(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c1C ZINC001605392046 1097116106 /nfs/dbraw/zinc/11/61/06/1097116106.db2.gz QEFCSNJFCINORE-UHFFFAOYSA-N -1 0 340.379 2.817 20 30 EFEDRM CCN([C@H](C)C#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001605405631 1097119678 /nfs/dbraw/zinc/11/96/78/1097119678.db2.gz UMIOPRKLAXFKRM-SECBINFHSA-N -1 0 338.410 2.522 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)C[C@@H](C)CC(=O)[O-])c(C#N)c1C ZINC001605584453 1097163176 /nfs/dbraw/zinc/16/31/76/1097163176.db2.gz MMFLAOSKAMHNTE-MRVPVSSYSA-N -1 0 338.385 2.544 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)/C=C\c1ccccc1C#N ZINC001605631660 1097174196 /nfs/dbraw/zinc/17/41/96/1097174196.db2.gz YVADZGDVMKOHIX-FJVVXJACSA-N -1 0 344.411 2.547 20 30 EFEDRM CCOc1ccc(NC(=S)NN=Cc2ccc(C(=O)[O-])o2)cc1 ZINC001605696896 1097198608 /nfs/dbraw/zinc/19/86/08/1097198608.db2.gz ZPUGAZGBWOGNTF-UHFFFAOYSA-N -1 0 333.369 2.697 20 30 EFEDRM CCc1[nH]c(C(=O)N(CCC#N)Cc2ccco2)c(C)c1C(=O)[O-] ZINC001605762949 1097219041 /nfs/dbraw/zinc/21/90/41/1097219041.db2.gz CQENTXITRGYXAB-UHFFFAOYSA-N -1 0 329.356 2.733 20 30 EFEDRM CCc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1C(CC)CC ZINC001605777181 1097221785 /nfs/dbraw/zinc/22/17/85/1097221785.db2.gz DUJOUGHYHGWQMU-UHFFFAOYSA-N -1 0 346.431 2.637 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001605784847 1097223671 /nfs/dbraw/zinc/22/36/71/1097223671.db2.gz AWPKAZXXBLTISV-UHFFFAOYSA-N -1 0 349.339 2.726 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001605803764 1097231806 /nfs/dbraw/zinc/23/18/06/1097231806.db2.gz AGQOWOSSMBSPPK-LJQANCHMSA-N -1 0 337.375 2.551 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001605804967 1097233075 /nfs/dbraw/zinc/23/30/75/1097233075.db2.gz YRZQLYGDKIJYTJ-NRFANRHFSA-N -1 0 335.403 2.759 20 30 EFEDRM CCc1cccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001605831343 1097242345 /nfs/dbraw/zinc/24/23/45/1097242345.db2.gz XNAJLVVOEYKSCS-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM CN(C(=O)C(F)(F)c1ccccc1C#N)C1(C(=O)[O-])CCCCC1 ZINC001605949015 1097284841 /nfs/dbraw/zinc/28/48/41/1097284841.db2.gz AKSNXMMHSYSOOS-UHFFFAOYSA-N -1 0 336.338 2.896 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC001605977899 1097290826 /nfs/dbraw/zinc/29/08/26/1097290826.db2.gz VXCHQSMZNIIHDX-IAQYHMDHSA-N -1 0 325.368 2.559 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001606019970 1097299380 /nfs/dbraw/zinc/29/93/80/1097299380.db2.gz PHYVIFGGSYZRER-IUCAKERBSA-N -1 0 343.313 2.930 20 30 EFEDRM CN(Cc1cc(C(C)(C)C)n[nH]1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606147254 1097328477 /nfs/dbraw/zinc/32/84/77/1097328477.db2.gz FCMBOPNYXHRBKE-INIZCTEOSA-N -1 0 326.400 2.837 20 30 EFEDRM N#CCc1cccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1F ZINC001167936238 1097351961 /nfs/dbraw/zinc/35/19/61/1097351961.db2.gz JKXKNKDCWZQIBT-UHFFFAOYSA-N -1 0 346.298 2.976 20 30 EFEDRM COC(=O)[C@H](Sc1ncccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001606342487 1097388761 /nfs/dbraw/zinc/38/87/61/1097388761.db2.gz SFVAWYNXTNNZBN-CYBMUJFWSA-N -1 0 328.349 2.658 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1CCCCc1cccc(Cl)c1 ZINC001606356537 1097392404 /nfs/dbraw/zinc/39/24/04/1097392404.db2.gz WZAFNKCQWMQFCT-UHFFFAOYSA-N -1 0 327.779 2.611 20 30 EFEDRM COC(=O)c1cc(OC(=O)c2sccc2CC#N)cc(C(=O)[O-])c1 ZINC001606563371 1097420176 /nfs/dbraw/zinc/42/01/76/1097420176.db2.gz SIMNIKRMZGFIEX-UHFFFAOYSA-N -1 0 345.332 2.518 20 30 EFEDRM COC(=O)c1cccc(CSCc2cccc(C(=O)[O-])n2)c1C#N ZINC001606614424 1097429914 /nfs/dbraw/zinc/42/99/14/1097429914.db2.gz RPJUUUSZPNFJSU-UHFFFAOYSA-N -1 0 342.376 2.871 20 30 EFEDRM CO[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CCCCC1 ZINC001606652624 1097436804 /nfs/dbraw/zinc/43/68/04/1097436804.db2.gz YVIFUIXYQMCGMU-MRXNPFEDSA-N -1 0 331.368 2.895 20 30 EFEDRM COCCOCC(C)N=Nc1cc(C(=O)[O-])ccc1Br ZINC001606903282 1097468361 /nfs/dbraw/zinc/46/83/61/1097468361.db2.gz HITAICQVSMMDAA-UHFFFAOYSA-N -1 0 345.193 2.598 20 30 EFEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001606962217 1097481322 /nfs/dbraw/zinc/48/13/22/1097481322.db2.gz KFHUMUFXWZUNAX-QPJJXVBHSA-N -1 0 338.298 2.600 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001607065326 1097504076 /nfs/dbraw/zinc/50/40/76/1097504076.db2.gz NATLVCYSUJHDCU-UHFFFAOYSA-N -1 0 329.352 2.645 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001607065589 1097504091 /nfs/dbraw/zinc/50/40/91/1097504091.db2.gz UPCJLXPNXWCTHY-CQSZACIVSA-N -1 0 336.347 2.786 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1OC ZINC001607093338 1097512916 /nfs/dbraw/zinc/51/29/16/1097512916.db2.gz BQQOETGVDZIOLH-SNVBAGLBSA-N -1 0 347.371 2.558 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001607134998 1097539159 /nfs/dbraw/zinc/53/91/59/1097539159.db2.gz WAMTUVZZBBWXRD-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM COc1cc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)ccc1C#N ZINC001607158184 1097546723 /nfs/dbraw/zinc/54/67/23/1097546723.db2.gz ZRAHCLYZHQMMJX-QGZVFWFLSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1cc(NC(=O)N(CCC#N)CC2CC2)c(C(=O)[O-])cc1OC ZINC001607177719 1097551940 /nfs/dbraw/zinc/55/19/40/1097551940.db2.gz ULQFDKKJTWYZCN-UHFFFAOYSA-N -1 0 347.371 2.560 20 30 EFEDRM COc1cc(NCCCC2(C#N)CCOCC2)c(C(=O)[O-])cc1OC ZINC001607180675 1097553973 /nfs/dbraw/zinc/55/39/73/1097553973.db2.gz BWEOIDULIODLOC-UHFFFAOYSA-N -1 0 348.399 2.914 20 30 EFEDRM COc1ccc(C#N)cc1COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001607201975 1097558755 /nfs/dbraw/zinc/55/87/55/1097558755.db2.gz UHFZWQUVZWLCIZ-UHFFFAOYSA-N -1 0 326.352 2.910 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])n2C)c(C)c1OC ZINC001607204220 1097559405 /nfs/dbraw/zinc/55/94/05/1097559405.db2.gz PFLSQXYRMDXDBR-TWGQIWQCSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2ccc(C#N)cc2)c1 ZINC001607211286 1097562244 /nfs/dbraw/zinc/56/22/44/1097562244.db2.gz VDFXWMRYUGAEIB-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1OC ZINC001607219383 1097564083 /nfs/dbraw/zinc/56/40/83/1097564083.db2.gz UQOGDMNIKSFFKD-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2sccc2CC#N)cc1 ZINC001607223894 1097565861 /nfs/dbraw/zinc/56/58/61/1097565861.db2.gz CRTRFASQLQXFHT-AWEZNQCLSA-N -1 0 344.392 2.769 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])cc1 ZINC001607228216 1097566856 /nfs/dbraw/zinc/56/68/56/1097566856.db2.gz AOUTYATZFPVACC-KRWDZBQOSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1ccc([C@H](NCC#Cc2ccccc2Cl)C(=O)[O-])cc1O ZINC001607230944 1097567371 /nfs/dbraw/zinc/56/73/71/1097567371.db2.gz HIOSGCHTTZBVLI-KRWDZBQOSA-N -1 0 345.782 2.821 20 30 EFEDRM COc1ccc([C@@H](NCC#Cc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001607232947 1097567741 /nfs/dbraw/zinc/56/77/41/1097567741.db2.gz ZAXRECGGYLJZBA-QGZVFWFLSA-N -1 0 345.782 2.821 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)cc1C#N ZINC001607258608 1097576620 /nfs/dbraw/zinc/57/66/20/1097576620.db2.gz REWCCAFIZTYDBK-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2F)c1 ZINC001607310667 1097594569 /nfs/dbraw/zinc/59/45/69/1097594569.db2.gz UMAADMHELMXGIX-QGZVFWFLSA-N -1 0 328.343 2.964 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2F)c1 ZINC001607310663 1097595065 /nfs/dbraw/zinc/59/50/65/1097595065.db2.gz UMAADMHELMXGIX-KRWDZBQOSA-N -1 0 328.343 2.964 20 30 EFEDRM COc1cccc(O)c1/C=N/[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001607326962 1097602423 /nfs/dbraw/zinc/60/24/23/1097602423.db2.gz YZGAFAFPGGWSSV-BTZNOAQDSA-N -1 0 338.363 2.997 20 30 EFEDRM COc1cccc(O)c1/C=N/[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607326856 1097602464 /nfs/dbraw/zinc/60/24/64/1097602464.db2.gz UNJBHBXHAYISOH-QJKBQXKLSA-N -1 0 335.425 2.949 20 30 EFEDRM COc1nc2sccn2c1C=NNc1cccc(F)c1C(=O)[O-] ZINC001607356914 1097612352 /nfs/dbraw/zinc/61/23/52/1097612352.db2.gz JQDLVRUOPPCLQM-UHFFFAOYSA-N -1 0 334.332 2.688 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001607451595 1097630977 /nfs/dbraw/zinc/63/09/77/1097630977.db2.gz CEBPXCPJUFYZFF-LLVKDONJSA-N -1 0 343.770 2.722 20 30 EFEDRM C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1ccncc1Br ZINC001607461436 1097632965 /nfs/dbraw/zinc/63/29/65/1097632965.db2.gz YBEAUWFOWMGJKS-QMMMGPOBSA-N -1 0 347.172 2.982 20 30 EFEDRM C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@]1(C)C(=O)[O-] ZINC001607467362 1097634842 /nfs/dbraw/zinc/63/48/42/1097634842.db2.gz UZRIHIPFPLOKLH-VOJFVSQTSA-N -1 0 332.375 2.544 20 30 EFEDRM Cc1[nH]c(C(=O)NC(C)(C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001607490349 1097640167 /nfs/dbraw/zinc/64/01/67/1097640167.db2.gz LZTVTGMLPRIJFI-UHFFFAOYSA-N -1 0 325.368 2.867 20 30 EFEDRM Cc1[nH]c(C(=O)OCc2cn3ccccc3c2C#N)c(C)c1C(=O)[O-] ZINC001607495770 1097642255 /nfs/dbraw/zinc/64/22/55/1097642255.db2.gz YLWJKAJTSATNMM-UHFFFAOYSA-N -1 0 337.335 2.811 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001607504121 1097645010 /nfs/dbraw/zinc/64/50/10/1097645010.db2.gz CZRZEEFGTGQPAK-MRXNPFEDSA-N -1 0 339.351 2.520 20 30 EFEDRM Cc1c(NC(=O)[C@@H](C)CC#N)ccc(Br)c1C(=O)[O-] ZINC001607536349 1097654261 /nfs/dbraw/zinc/65/42/61/1097654261.db2.gz BIGBBEUIRFDBIF-ZETCQYMHSA-N -1 0 325.162 2.944 20 30 EFEDRM Cc1c(NC(=O)c2sccc2CC#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607551680 1097659069 /nfs/dbraw/zinc/65/90/69/1097659069.db2.gz WCNQPDVVGHQBGS-UHFFFAOYSA-N -1 0 345.336 2.981 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607565786 1097662564 /nfs/dbraw/zinc/66/25/64/1097662564.db2.gz RDJZGZWUEUUSLZ-TXKKKEFDSA-N -1 0 344.436 2.726 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001607566556 1097662606 /nfs/dbraw/zinc/66/26/06/1097662606.db2.gz XMXXOEBWTPCQSE-UHFFFAOYSA-N -1 0 328.349 2.658 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001607566340 1097662762 /nfs/dbraw/zinc/66/27/62/1097662762.db2.gz UDFGVUBXMQREJR-UHFFFAOYSA-N -1 0 345.742 2.631 20 30 EFEDRM Cc1oc(C)c(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)c1C(=O)[O-] ZINC001607566129 1097662813 /nfs/dbraw/zinc/66/28/13/1097662813.db2.gz ZRGDIPLIVDFQAT-UHFFFAOYSA-N -1 0 349.364 2.851 20 30 EFEDRM Cc1cc(C#N)cc(N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)n1 ZINC001607565732 1097662928 /nfs/dbraw/zinc/66/29/28/1097662928.db2.gz PGEUTXUXDVVGQW-PLNGDYQASA-N -1 0 337.335 2.762 20 30 EFEDRM Cc1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)c(C)n1-c1ccc(C#N)cc1 ZINC001607569850 1097663468 /nfs/dbraw/zinc/66/34/68/1097663468.db2.gz SZKRUQZTVMIWKJ-UHFFFAOYSA-N -1 0 349.390 2.655 20 30 EFEDRM Cc1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001607574389 1097664350 /nfs/dbraw/zinc/66/43/50/1097664350.db2.gz RYUHHJNGXPTXQM-UHFFFAOYSA-N -1 0 326.352 2.909 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)oc1C(=O)[O-] ZINC001607583172 1097666295 /nfs/dbraw/zinc/66/62/95/1097666295.db2.gz CFHOWDSLCOFJQC-UHFFFAOYSA-N -1 0 349.686 2.972 20 30 EFEDRM Cc1cc(CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)oc1C(=O)[O-] ZINC001607640838 1097686153 /nfs/dbraw/zinc/68/61/53/1097686153.db2.gz ZXLJVIIRLKZEHA-MLPAPPSSSA-N -1 0 337.397 2.818 20 30 EFEDRM Cc1cc(N2C[C@@H](F)C[C@H]2C(=O)[O-])n2c3ccccc3nc2c1C#N ZINC001607671104 1097695725 /nfs/dbraw/zinc/69/57/25/1097695725.db2.gz LBWRTNCJDVCJDT-NHYWBVRUSA-N -1 0 338.342 2.669 20 30 EFEDRM Cc1cc(NC(=O)N(C)Cc2cc(C#N)cs2)ncc1C(=O)[O-] ZINC001607681462 1097697023 /nfs/dbraw/zinc/69/70/23/1097697023.db2.gz ZPPWUPPPVPJSME-UHFFFAOYSA-N -1 0 330.369 2.685 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)N(CC#N)CCC(=O)[O-])ccc1C(C)C ZINC001607698610 1097702304 /nfs/dbraw/zinc/70/23/04/1097702304.db2.gz IRABCQLGHSFRHG-CQSZACIVSA-N -1 0 332.400 2.713 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C=Cc1cc(C(=O)[O-])co1 ZINC001607712301 1097706253 /nfs/dbraw/zinc/70/62/53/1097706253.db2.gz KOEDXJXWTRTMFT-IHWYPQMZSA-N -1 0 336.307 2.686 20 30 EFEDRM Cc1ccc(Br)c(C)c1C(=O)N(CC#N)CCC(=O)[O-] ZINC001607722631 1097709421 /nfs/dbraw/zinc/70/94/21/1097709421.db2.gz DBKNCYMKQZJWGY-UHFFFAOYSA-N -1 0 339.189 2.506 20 30 EFEDRM Cc1ccc(Br)c(F)c1CN(CC#N)CCC(=O)[O-] ZINC001607722578 1097709464 /nfs/dbraw/zinc/70/94/64/1097709464.db2.gz BTSRINVUYAZELZ-UHFFFAOYSA-N -1 0 329.169 2.697 20 30 EFEDRM Cc1ccc(C(=O)C=CC(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001607725423 1097710518 /nfs/dbraw/zinc/71/05/18/1097710518.db2.gz YXFOWMFJSPKWIP-KTKRTIGZSA-N -1 0 349.346 2.947 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001607729989 1097712208 /nfs/dbraw/zinc/71/22/08/1097712208.db2.gz MAUIJLPJYFUBDJ-ZDUSSCGKSA-N -1 0 338.363 2.821 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001607731008 1097713155 /nfs/dbraw/zinc/71/31/55/1097713155.db2.gz WXGXEALLEQENLQ-INIZCTEOSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@](C)(C#N)C1 ZINC001607741391 1097716252 /nfs/dbraw/zinc/71/62/52/1097716252.db2.gz XTFORUNTUJVHJH-FZKQIMNGSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc(C)n1-c1sccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001607766154 1097726399 /nfs/dbraw/zinc/72/63/99/1097726399.db2.gz OOGIEXSABFIEEO-UHFFFAOYSA-N -1 0 331.397 2.596 20 30 EFEDRM Cc1ccc(C[C@@H](Sc2ncc([N+](=O)[O-])cc2C#N)C(=O)[O-])cc1 ZINC001607775358 1097728659 /nfs/dbraw/zinc/72/86/59/1097728659.db2.gz CZAQRQKXFFDQBF-CQSZACIVSA-N -1 0 343.364 2.958 20 30 EFEDRM Cc1ccc(COC(=O)Cc2cccc(OCC#N)c2)cc1C(=O)[O-] ZINC001607785139 1097732001 /nfs/dbraw/zinc/73/20/01/1097732001.db2.gz RJXFADFEJWVJSU-UHFFFAOYSA-N -1 0 339.347 2.882 20 30 EFEDRM Cc1ccc(NN=Cc2c(Br)cnn2C)cc1C(=O)[O-] ZINC001607808105 1097740371 /nfs/dbraw/zinc/74/03/71/1097740371.db2.gz CORPSAHQJXJSOC-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1ccc2c(cnn2CN2Cc3ccc(C#N)cc3C2)c1C(=O)[O-] ZINC001607834506 1097747233 /nfs/dbraw/zinc/74/72/33/1097747233.db2.gz ZKXWJWQUXHGHGE-UHFFFAOYSA-N -1 0 332.363 2.888 20 30 EFEDRM Cc1cccc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C ZINC001607840972 1097749244 /nfs/dbraw/zinc/74/92/44/1097749244.db2.gz LDGUUFVCWGFKEO-AWEZNQCLSA-N -1 0 329.400 2.764 20 30 EFEDRM Cc1cccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c1C(=O)[O-] ZINC001607860800 1097757322 /nfs/dbraw/zinc/75/73/22/1097757322.db2.gz JHOGOOGXDZBXIR-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)c1ccccc1OCC#N ZINC001607866642 1097759932 /nfs/dbraw/zinc/75/99/32/1097759932.db2.gz UHVSGLMECMPYTQ-MRXNPFEDSA-N -1 0 336.347 2.554 20 30 EFEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(C(=O)[O-])co1 ZINC001607869501 1097760571 /nfs/dbraw/zinc/76/05/71/1097760571.db2.gz HVPSKOKAXVCEST-UHFFFAOYSA-N -1 0 328.353 2.716 20 30 EFEDRM Cc1ccnc(C2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)n1 ZINC001607894191 1097769989 /nfs/dbraw/zinc/76/99/89/1097769989.db2.gz WWZAGXGGZSFQJG-UHFFFAOYSA-N -1 0 336.395 2.735 20 30 EFEDRM Cc1cncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1Cl ZINC001607910714 1097775450 /nfs/dbraw/zinc/77/54/50/1097775450.db2.gz WLAJLITYEWBRSC-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)NCC1(C#N)CCCCC1 ZINC001607926954 1097779152 /nfs/dbraw/zinc/77/91/52/1097779152.db2.gz BZNORDPBLFVPPO-UHFFFAOYSA-N -1 0 342.442 2.507 20 30 EFEDRM Cc1csc(NC(=O)NCc2ccccc2CC(=O)[O-])c1C#N ZINC001607931988 1097781129 /nfs/dbraw/zinc/78/11/29/1097781129.db2.gz FGVOMOVVOCSDDP-UHFFFAOYSA-N -1 0 329.381 2.877 20 30 EFEDRM Cc1nc(C#N)cc(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001607944589 1097784650 /nfs/dbraw/zinc/78/46/50/1097784650.db2.gz ZBNGXQMXNAZPAL-UHFFFAOYSA-N -1 0 326.356 2.512 20 30 EFEDRM Cc1nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)ccc1C#N ZINC001607948900 1097785105 /nfs/dbraw/zinc/78/51/05/1097785105.db2.gz FXIWBIXAUYNOBG-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1oc(CN(C)C(=O)C2(c3cccc(C#N)c3)CC2)cc1C(=O)[O-] ZINC001608044389 1097814771 /nfs/dbraw/zinc/81/47/71/1097814771.db2.gz MJFYIWYRHAVPMS-UHFFFAOYSA-N -1 0 338.363 2.848 20 30 EFEDRM Cc1oc(CNC(=O)Nc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001608050580 1097817124 /nfs/dbraw/zinc/81/71/24/1097817124.db2.gz JRTZMUSIKBXWCO-UHFFFAOYSA-N -1 0 329.312 2.510 20 30 EFEDRM Cc1oc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1C(=O)[O-] ZINC001608050100 1097817384 /nfs/dbraw/zinc/81/73/84/1097817384.db2.gz RRFCIFCVYOMJDL-UHFFFAOYSA-N -1 0 339.351 2.646 20 30 EFEDRM Cn1c(CNc2ccc(C(=O)[O-])nc2C#N)nc2cccc(Cl)c21 ZINC001608087592 1097829971 /nfs/dbraw/zinc/82/99/71/1097829971.db2.gz CVEOWIWIFJJRKX-UHFFFAOYSA-N -1 0 341.758 2.804 20 30 EFEDRM Cn1nc2c(c1/C=C\C(=O)c1ccc(Cl)cc1C(=O)[O-])COCC2 ZINC001608151543 1097847231 /nfs/dbraw/zinc/84/72/31/1097847231.db2.gz MAMXMOVCCZTWRG-PLNGDYQASA-N -1 0 346.770 2.741 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001608170626 1097849266 /nfs/dbraw/zinc/84/92/66/1097849266.db2.gz VBXHTMBKSRKPMB-IJEWVQPXSA-N -1 0 339.391 2.887 20 30 EFEDRM N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001608173710 1097850356 /nfs/dbraw/zinc/85/03/56/1097850356.db2.gz KXWPJPGIVZSLTQ-JTNHKYCSSA-N -1 0 337.322 2.834 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC2(C(F)(F)F)CCCCC2)CC1 ZINC001608171347 1097850400 /nfs/dbraw/zinc/85/04/00/1097850400.db2.gz KJMKNOICRBNXFG-UHFFFAOYSA-N -1 0 347.337 2.652 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001608174517 1097851807 /nfs/dbraw/zinc/85/18/07/1097851807.db2.gz PFZHMKSCSHPMHD-UHFFFAOYSA-N -1 0 343.261 2.808 20 30 EFEDRM N#C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001608173999 1097851942 /nfs/dbraw/zinc/85/19/42/1097851942.db2.gz QHOLJEHLMSSMIQ-AWEZNQCLSA-N -1 0 332.312 2.922 20 30 EFEDRM N#CC1(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCCC1 ZINC001608174831 1097852000 /nfs/dbraw/zinc/85/20/00/1097852000.db2.gz DLBSLYDWNFCYME-BEFAXECRSA-N -1 0 326.396 2.835 20 30 EFEDRM N#C[C@@]1(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)CC12CCCC2 ZINC001608176096 1097852008 /nfs/dbraw/zinc/85/20/08/1097852008.db2.gz OQBVTENMSJCQCB-GOSISDBHSA-N -1 0 327.336 2.585 20 30 EFEDRM N#CC1(CCCn2cc(C3CCC(C(=O)[O-])CC3)nn2)CCOCC1 ZINC001608174724 1097852305 /nfs/dbraw/zinc/85/23/05/1097852305.db2.gz BJURDBCOQKDIME-UHFFFAOYSA-N -1 0 346.431 2.737 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001608179590 1097852751 /nfs/dbraw/zinc/85/27/51/1097852751.db2.gz XQTZAQDLZINXEX-ZDUSSCGKSA-N -1 0 342.399 2.752 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001608179581 1097852869 /nfs/dbraw/zinc/85/28/69/1097852869.db2.gz XQTZAQDLZINXEX-CYBMUJFWSA-N -1 0 342.399 2.752 20 30 EFEDRM N#CCCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001608181998 1097852934 /nfs/dbraw/zinc/85/29/34/1097852934.db2.gz XSBAUUKPIRZFGQ-UHFFFAOYSA-N -1 0 340.177 2.963 20 30 EFEDRM N#CCCCCCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001608180449 1097853167 /nfs/dbraw/zinc/85/31/67/1097853167.db2.gz OIKIEZXRHRUGQW-UHFFFAOYSA-N -1 0 332.356 2.959 20 30 EFEDRM N#CC1(c2ccc(C(=O)OCC(=O)c3cc(C(=O)[O-])co3)cc2)CC1 ZINC001608177242 1097853250 /nfs/dbraw/zinc/85/32/50/1097853250.db2.gz OFNHBAOJETVGPO-UHFFFAOYSA-N -1 0 339.303 2.573 20 30 EFEDRM N#CC[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001608178110 1097853469 /nfs/dbraw/zinc/85/34/69/1097853469.db2.gz KDDTUJURYHJXJM-KRWDZBQOSA-N -1 0 334.375 2.967 20 30 EFEDRM N#CC1(CC(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])CCCCC1 ZINC001608176357 1097853497 /nfs/dbraw/zinc/85/34/97/1097853497.db2.gz UZMZAZJIJQGGOY-QGZVFWFLSA-N -1 0 342.395 2.897 20 30 EFEDRM N#CC1(c2ccc(C(=O)NCc3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC001608177004 1097853559 /nfs/dbraw/zinc/85/35/59/1097853559.db2.gz IGLBEAQGCYJVRP-UHFFFAOYSA-N -1 0 334.375 2.799 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c2ccccc21 ZINC001608182562 1097853805 /nfs/dbraw/zinc/85/38/05/1097853805.db2.gz FUTMCZZBAYPPIM-HIFRSBDPSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001608185082 1097853875 /nfs/dbraw/zinc/85/38/75/1097853875.db2.gz BCFSIASQSBRAIE-UHFFFAOYSA-N -1 0 336.347 2.607 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001608184347 1097853922 /nfs/dbraw/zinc/85/39/22/1097853922.db2.gz WEPGBKFRURKFHI-FMIVXFBMSA-N -1 0 344.264 2.843 20 30 EFEDRM N#CCOc1ccccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001608187030 1097854100 /nfs/dbraw/zinc/85/41/00/1097854100.db2.gz JOWKQHOGYWOBBL-AWEZNQCLSA-N -1 0 330.384 2.600 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001608185440 1097854155 /nfs/dbraw/zinc/85/41/55/1097854155.db2.gz RDFMHXQRKVLLCV-UHFFFAOYSA-N -1 0 334.681 2.799 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC001608185282 1097854206 /nfs/dbraw/zinc/85/42/06/1097854206.db2.gz KLPFPKRZYJVFDH-UHFFFAOYSA-N -1 0 347.802 2.902 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001608188990 1097854814 /nfs/dbraw/zinc/85/48/14/1097854814.db2.gz SZWMVFYBFLUMQH-QGZVFWFLSA-N -1 0 344.411 2.671 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001608189267 1097855089 /nfs/dbraw/zinc/85/50/89/1097855089.db2.gz JZVFJPTWTJXWKN-MRXNPFEDSA-N -1 0 334.375 2.900 20 30 EFEDRM N#CCSc1cccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1 ZINC001608187448 1097855313 /nfs/dbraw/zinc/85/53/13/1097855313.db2.gz ZSCMUEQTGHPQHF-UHFFFAOYSA-N -1 0 330.409 2.914 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001608189052 1097855420 /nfs/dbraw/zinc/85/54/20/1097855420.db2.gz YEUXETTVPQQNGD-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#Cc1c(COC(=O)COc2ccc(F)cc2)cccc1C(=O)[O-] ZINC001608191052 1097855807 /nfs/dbraw/zinc/85/58/07/1097855807.db2.gz NXNHODAKNVYXEW-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#CCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608189970 1097856010 /nfs/dbraw/zinc/85/60/10/1097856010.db2.gz XDZATOSZIZLDFI-MRXNPFEDSA-N -1 0 341.342 2.882 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001608190050 1097856167 /nfs/dbraw/zinc/85/61/67/1097856167.db2.gz CLVJVQQLIUPDRK-JGVFFNPUSA-N -1 0 325.727 2.991 20 30 EFEDRM N#C[C@H]1C[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001608190985 1097856246 /nfs/dbraw/zinc/85/62/46/1097856246.db2.gz GANLQOHGFIXYOJ-SJLPKXTDSA-N -1 0 330.343 2.883 20 30 EFEDRM N#CCn1c(C(=O)NCCc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001608190543 1097856645 /nfs/dbraw/zinc/85/66/45/1097856645.db2.gz UJBRNYOTSVMZBX-UHFFFAOYSA-N -1 0 347.374 2.836 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1F ZINC001608192035 1097856680 /nfs/dbraw/zinc/85/66/80/1097856680.db2.gz HAQLQWVDCHTXAB-MQIPJXDCSA-N -1 0 348.349 2.942 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001608194229 1097857384 /nfs/dbraw/zinc/85/73/84/1097857384.db2.gz LRPJDBNGCVYALY-CYBMUJFWSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)OCCOc1cccc(C(=O)[O-])c1 ZINC001608194640 1097857444 /nfs/dbraw/zinc/85/74/44/1097857444.db2.gz TUVPPDGAQCOOKC-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])ccn1 ZINC001608194402 1097857772 /nfs/dbraw/zinc/85/77/72/1097857772.db2.gz VBEIOZWPXHKNRM-KBXCAEBGSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001608193620 1097857844 /nfs/dbraw/zinc/85/78/44/1097857844.db2.gz BYFVZAJZXOTWNJ-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@H](C[C@H]2CCCOC2)C(=O)[O-])n1 ZINC001608195570 1097857953 /nfs/dbraw/zinc/85/79/53/1097857953.db2.gz CIEYODJIOMOWFL-BXKDBHETSA-N -1 0 343.305 2.654 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)ccc1F ZINC001608194278 1097858016 /nfs/dbraw/zinc/85/80/16/1097858016.db2.gz TUAJJZZTTGFSGB-OAHLLOKOSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cn1 ZINC001608200166 1097859755 /nfs/dbraw/zinc/85/97/55/1097859755.db2.gz FOIQVBKODLAXQN-KSSFIOAISA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc(-c2nnc(CON=Cc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC001608198651 1097859836 /nfs/dbraw/zinc/85/98/36/1097859836.db2.gz SYRSIUXIVOYSNS-UHFFFAOYSA-N -1 0 348.318 2.857 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001608199126 1097859846 /nfs/dbraw/zinc/85/98/46/1097859846.db2.gz SPXNXTHEHUNRQI-SOFGYWHQSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001608199127 1097859995 /nfs/dbraw/zinc/85/99/95/1097859995.db2.gz SPXNXTHEHUNRQI-VURMDHGXSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])o1 ZINC001608199932 1097860073 /nfs/dbraw/zinc/86/00/73/1097860073.db2.gz RSVUOIFDRMOATG-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)s1 ZINC001608199062 1097860145 /nfs/dbraw/zinc/86/01/45/1097860145.db2.gz QLGPOBLANQVUJK-SECBINFHSA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001608198869 1097860229 /nfs/dbraw/zinc/86/02/29/1097860229.db2.gz HCTACOBOMZRCQI-CYBMUJFWSA-N -1 0 341.392 2.733 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CC23CCSCC3)C(=O)[O-])cc1 ZINC001608202764 1097860380 /nfs/dbraw/zinc/86/03/80/1097860380.db2.gz WMWAABMOALSMRN-KBPBESRZSA-N -1 0 331.393 2.760 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c(N2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC001608202628 1097860532 /nfs/dbraw/zinc/86/05/32/1097860532.db2.gz UVBSSWPPDWCYSL-JTQLQIEISA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC001608200885 1097861325 /nfs/dbraw/zinc/86/13/25/1097861325.db2.gz SLJNDFALCIQAHM-CQSZACIVSA-N -1 0 326.327 2.513 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)c(F)cc2N)C(=O)[O-])cc1 ZINC001608203319 1097861339 /nfs/dbraw/zinc/86/13/39/1097861339.db2.gz GQYKARDWCCSPQY-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1F ZINC001608204774 1097861603 /nfs/dbraw/zinc/86/16/03/1097861603.db2.gz LPMRYCWCCFZRAP-UHFFFAOYSA-N -1 0 348.721 2.766 20 30 EFEDRM N#Cc1ccc([C@H]2CN(c3nc(Cl)c(C(=O)[O-])s3)CCO2)cc1 ZINC001608203983 1097861636 /nfs/dbraw/zinc/86/16/36/1097861636.db2.gz NKAUBIOFXATGSO-LLVKDONJSA-N -1 0 349.799 2.944 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Nc2ccc(C(=O)[O-])nc2)C2CC2)cc1 ZINC001608204462 1097861837 /nfs/dbraw/zinc/86/18/37/1097861837.db2.gz HSXMPTPMEBUWMU-UHFFFAOYSA-N -1 0 336.351 2.848 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001608204733 1097861942 /nfs/dbraw/zinc/86/19/42/1097861942.db2.gz ODUSCBOKENUPGA-GFCCVEGCSA-N -1 0 334.291 2.749 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCC3(CC(=O)[O-])CCCC3)CC2)cc1 ZINC001608203582 1097862231 /nfs/dbraw/zinc/86/22/31/1097862231.db2.gz QGNKBBGMNMMZSG-UHFFFAOYSA-N -1 0 326.396 2.741 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ncsc2C2CC2)C(=O)[O-])cc1 ZINC001608203430 1097862297 /nfs/dbraw/zinc/86/22/97/1097862297.db2.gz MNFAVCKJIGWRAV-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CSCC(F)(F)F)C(=O)[O-])cc1 ZINC001608203749 1097862349 /nfs/dbraw/zinc/86/23/49/1097862349.db2.gz ULWXDNFSOBCBET-LLVKDONJSA-N -1 0 333.287 2.523 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC001608206614 1097862785 /nfs/dbraw/zinc/86/27/85/1097862785.db2.gz IUJMDUPJHZFXEL-UHFFFAOYSA-N -1 0 333.344 2.813 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001608205432 1097862960 /nfs/dbraw/zinc/86/29/60/1097862960.db2.gz DXZPXZMWCFRGPU-UHFFFAOYSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001608206642 1097863247 /nfs/dbraw/zinc/86/32/47/1097863247.db2.gz JPJHZZPBWLEHCX-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1ccc(CN2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC001608205129 1097863271 /nfs/dbraw/zinc/86/32/71/1097863271.db2.gz VFUVQVHUYWIRRA-UHFFFAOYSA-N -1 0 341.436 2.636 20 30 EFEDRM N#Cc1ccc(Cn2cc(NCc3ccc(C(=O)[O-])cn3)cn2)cc1 ZINC001608206269 1097863327 /nfs/dbraw/zinc/86/33/27/1097863327.db2.gz DRCXDAVIQONDMV-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1ccc(NC(=S)NC[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001608208337 1097863865 /nfs/dbraw/zinc/86/38/65/1097863865.db2.gz REPSGDKNQUTYEM-NSHDSACASA-N -1 0 337.832 2.999 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(C2CC2)c1 ZINC001608208381 1097863954 /nfs/dbraw/zinc/86/39/54/1097863954.db2.gz TZYITPWZGDRFAJ-VBHSOAQHSA-N -1 0 325.368 2.810 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001608209593 1097864325 /nfs/dbraw/zinc/86/43/25/1097864325.db2.gz LSBWOFSCXZKLRD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001608210790 1097864381 /nfs/dbraw/zinc/86/43/81/1097864381.db2.gz YQKMIAIZMZHIKM-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)NCC1(C(=O)[O-])CCCCC1)C2 ZINC001608214170 1097864870 /nfs/dbraw/zinc/86/48/70/1097864870.db2.gz GFYGVMCKXBNBQL-UHFFFAOYSA-N -1 0 327.384 2.619 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001608214248 1097865367 /nfs/dbraw/zinc/86/53/67/1097865367.db2.gz IQGJGAHCKVKISG-INIZCTEOSA-N -1 0 341.411 2.880 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001608214930 1097865846 /nfs/dbraw/zinc/86/58/46/1097865846.db2.gz KJGOMJNWGCQQNT-ZDUSSCGKSA-N -1 0 341.392 2.733 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001608215069 1097865887 /nfs/dbraw/zinc/86/58/87/1097865887.db2.gz XEJZCKNHRKPLHX-ZQIUZPCESA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C2C[C@H]3CC[C@@H](C2)S3)C(=O)[O-])c1 ZINC001608216564 1097867073 /nfs/dbraw/zinc/86/70/73/1097867073.db2.gz NECPDWYWPAVBKU-JALIKCBVSA-N -1 0 331.393 2.901 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(c3nc(Cl)c(C(=O)[O-])s3)CCO2)c1 ZINC001608217805 1097867121 /nfs/dbraw/zinc/86/71/21/1097867121.db2.gz UNCRAAKLIKORCU-NSHDSACASA-N -1 0 349.799 2.944 20 30 EFEDRM N#Cc1cccc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])c1 ZINC001608218409 1097867173 /nfs/dbraw/zinc/86/71/73/1097867173.db2.gz MVFLWJFLKIXXJS-OAHLLOKOSA-N -1 0 326.377 2.534 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CCCCCC(=O)C2)C(=O)[O-])c1 ZINC001608216723 1097867227 /nfs/dbraw/zinc/86/72/27/1097867227.db2.gz SBSIQXATXZIMNI-HOCLYGCPSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1cccc(COC(=O)c2cccc(OCC(=O)[O-])c2)c1F ZINC001608217276 1097867405 /nfs/dbraw/zinc/86/74/05/1097867405.db2.gz VWHKGTLNYZNYNA-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1 ZINC001608217470 1097867443 /nfs/dbraw/zinc/86/74/43/1097867443.db2.gz FUEJBCOZWJIRHF-UHFFFAOYSA-N -1 0 330.727 2.797 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C2C[C@H]3CC[C@@H](C2)S3)C(=O)[O-])c1 ZINC001608216563 1097867588 /nfs/dbraw/zinc/86/75/88/1097867588.db2.gz NECPDWYWPAVBKU-DKUMPPAJSA-N -1 0 331.393 2.901 20 30 EFEDRM N#Cc1cccc(CNC(=O)COc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001608217917 1097867780 /nfs/dbraw/zinc/86/77/80/1097867780.db2.gz ZIZUBTLWTVDEPO-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001608220605 1097868243 /nfs/dbraw/zinc/86/82/43/1097868243.db2.gz FTLPLZFXKNUDDX-XPTLAUCJSA-N -1 0 346.386 2.826 20 30 EFEDRM N#Cc1ccsc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001608220713 1097868320 /nfs/dbraw/zinc/86/83/20/1097868320.db2.gz KAMTWRQVJDDIFB-AWEZNQCLSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001608220450 1097868398 /nfs/dbraw/zinc/86/83/98/1097868398.db2.gz CCFMXQHOUABGIA-UHFFFAOYSA-N -1 0 331.278 2.569 20 30 EFEDRM N#Cc1ccccc1N1CCC(Nc2cc(CC(=O)[O-])ccn2)CC1 ZINC001608220217 1097868493 /nfs/dbraw/zinc/86/84/93/1097868493.db2.gz QHQVXDPZTOJYKJ-UHFFFAOYSA-N -1 0 336.395 2.661 20 30 EFEDRM N#Cc1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1Br ZINC001608218667 1097868574 /nfs/dbraw/zinc/86/85/74/1097868574.db2.gz VHPRAQLCIGTXBW-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)n2)c1 ZINC001608218594 1097868581 /nfs/dbraw/zinc/86/85/81/1097868581.db2.gz SHRJHSAZAQYCOT-AAEUAGOBSA-N -1 0 346.293 2.518 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001608218528 1097868698 /nfs/dbraw/zinc/86/86/98/1097868698.db2.gz QWFYJLVAQBCUGN-AXVVYFOYSA-N -1 0 338.407 2.765 20 30 EFEDRM N#Cc1cnc(Cl)c(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001608223127 1097869170 /nfs/dbraw/zinc/86/91/70/1097869170.db2.gz OSAOMKKGIOHXDR-HNNXBMFYSA-N -1 0 327.771 2.791 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC001608222406 1097869208 /nfs/dbraw/zinc/86/92/08/1097869208.db2.gz CQEWYETXABWCBO-CYBMUJFWSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001608223354 1097869404 /nfs/dbraw/zinc/86/94/04/1097869404.db2.gz AMWQKEBPPFFDPJ-ZETCQYMHSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001608221642 1097869727 /nfs/dbraw/zinc/86/97/27/1097869727.db2.gz LPJMGFJWLCABJH-ZDUSSCGKSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001608224380 1097870554 /nfs/dbraw/zinc/87/05/54/1097870554.db2.gz QOQUCWSJPWFLCJ-PELKAZGASA-N -1 0 329.278 2.563 20 30 EFEDRM N#Cc1nc(N2CCOc3cc(C(=O)[O-])ccc3C2)ccc1Cl ZINC001608225350 1097870570 /nfs/dbraw/zinc/87/05/70/1097870570.db2.gz LOQAVQPZPWWEIB-UHFFFAOYSA-N -1 0 329.743 2.704 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccnc1OC1CCCC1 ZINC001608224340 1097870913 /nfs/dbraw/zinc/87/09/13/1097870913.db2.gz PLSQBYSIZCLXNL-UHFFFAOYSA-N -1 0 338.367 2.980 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001608224386 1097871076 /nfs/dbraw/zinc/87/10/76/1097871076.db2.gz QOQUCWSJPWFLCJ-UFBFGSQYSA-N -1 0 329.278 2.563 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1CCCN(c2ccccc2)C1 ZINC001608224310 1097871130 /nfs/dbraw/zinc/87/11/30/1097871130.db2.gz PIUOCOCREGYVHM-AWEZNQCLSA-N -1 0 336.395 2.980 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cc3c[nH]cn3)c2)c1 ZINC001608370033 1097905460 /nfs/dbraw/zinc/90/54/60/1097905460.db2.gz SLAXVBGNTWMVHS-UHFFFAOYSA-N -1 0 345.358 2.689 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C=Nn2cnc3ccccc3c2=O)c1 ZINC001608892628 1098061904 /nfs/dbraw/zinc/06/19/04/1098061904.db2.gz XRIKRSMRXSZGJO-UHFFFAOYSA-N -1 0 327.727 2.630 20 30 EFEDRM O=C([O-])c1cccc(CON=Cc2c(Cl)nc3ccccn32)n1 ZINC001608932215 1098080311 /nfs/dbraw/zinc/08/03/11/1098080311.db2.gz UKKOFXHOKFFTRM-UHFFFAOYSA-N -1 0 330.731 2.632 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001269404491 1098115513 /nfs/dbraw/zinc/11/55/13/1098115513.db2.gz CUCJOGMKKPJNLU-GFCCVEGCSA-N -1 0 348.362 2.719 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC001609058352 1098124970 /nfs/dbraw/zinc/12/49/70/1098124970.db2.gz XONNINXHVDITKQ-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(F)c2)o1 ZINC001609061118 1098125593 /nfs/dbraw/zinc/12/55/93/1098125593.db2.gz GBLUBRJAJOANST-UHFFFAOYSA-N -1 0 329.339 2.953 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)C2SC=CC2=O)o1 ZINC001609061114 1098125642 /nfs/dbraw/zinc/12/56/42/1098125642.db2.gz FVQXYUHZVFYHPM-UHFFFAOYSA-N -1 0 333.377 2.581 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001609076148 1098133508 /nfs/dbraw/zinc/13/35/08/1098133508.db2.gz DSIBURYANUHOOD-IAGOWNOFSA-N -1 0 340.423 2.517 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC=CCc2ccco2)o1 ZINC001609081318 1098136030 /nfs/dbraw/zinc/13/60/30/1098136030.db2.gz IOXHIIGVBCQAOI-MMQVGAAWSA-N -1 0 327.348 2.856 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001609110806 1098150468 /nfs/dbraw/zinc/15/04/68/1098150468.db2.gz VYZVPBWWAVQCEI-UHFFFAOYSA-N -1 0 348.794 2.953 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001609159008 1098174124 /nfs/dbraw/zinc/17/41/24/1098174124.db2.gz QYEDVUBNVCVPRB-UHFFFAOYSA-N -1 0 343.404 2.517 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001609167756 1098180933 /nfs/dbraw/zinc/18/09/33/1098180933.db2.gz ZHMLFZZBFARCSC-LJQANCHMSA-N -1 0 341.338 2.568 20 30 EFEDRM C#CCOc1cccc(Cl)c1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001609167627 1098181242 /nfs/dbraw/zinc/18/12/42/1098181242.db2.gz NPLNDKDPSFZAFR-UHFFFAOYSA-N -1 0 332.787 2.542 20 30 EFEDRM CC[C@@H](C)[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)OC ZINC001609185516 1098187656 /nfs/dbraw/zinc/18/76/56/1098187656.db2.gz JCHTZZJDNIYUQI-NXEZZACHSA-N -1 0 335.412 2.611 20 30 EFEDRM C=C(Br)COC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001609190068 1098189172 /nfs/dbraw/zinc/18/91/72/1098189172.db2.gz UZSFUWQXBGVXTG-UHFFFAOYSA-N -1 0 338.157 2.860 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001609189962 1098190316 /nfs/dbraw/zinc/19/03/16/1098190316.db2.gz NUJYDKDWGUHBJT-MRXNPFEDSA-N -1 0 335.403 2.960 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001609226800 1098213349 /nfs/dbraw/zinc/21/33/49/1098213349.db2.gz WTSPRAOXTJLMFX-JTQLQIEISA-N -1 0 337.372 2.951 20 30 EFEDRM CCOc1c(Cl)cccc1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001609242177 1098217222 /nfs/dbraw/zinc/21/72/22/1098217222.db2.gz TXXLLQFVPZAIEJ-UHFFFAOYSA-N -1 0 347.766 2.661 20 30 EFEDRM C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001609257400 1098229384 /nfs/dbraw/zinc/22/93/84/1098229384.db2.gz BASXFJPJWZAQHT-AWEZNQCLSA-N -1 0 346.456 2.808 20 30 EFEDRM C=C[C@](C)(O)CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001609267033 1098232446 /nfs/dbraw/zinc/23/24/46/1098232446.db2.gz INOQOFFSLAQVOP-SFHVURJKSA-N -1 0 332.400 2.641 20 30 EFEDRM C=C[C@H](CC(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001609266932 1098232673 /nfs/dbraw/zinc/23/26/73/1098232673.db2.gz GJOZYEGETMSQBW-UDCKQINGSA-N -1 0 343.423 2.968 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)[O-] ZINC001609287474 1098239719 /nfs/dbraw/zinc/23/97/19/1098239719.db2.gz RDZFZCSHHQNMDB-VIFPVBQESA-N -1 0 345.211 2.697 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001609290730 1098239775 /nfs/dbraw/zinc/23/97/75/1098239775.db2.gz VADOQRUALBJXAO-UHFFFAOYSA-N -1 0 346.427 2.706 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001609290459 1098239827 /nfs/dbraw/zinc/23/98/27/1098239827.db2.gz JWBJAEJHBIJWAG-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609320456 1098246216 /nfs/dbraw/zinc/24/62/16/1098246216.db2.gz LSYIPWNPUDAQLB-MRXNPFEDSA-N -1 0 341.411 2.574 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)CCc1ocnc1C(=O)[O-] ZINC001609320662 1098246418 /nfs/dbraw/zinc/24/64/18/1098246418.db2.gz VYYGSFMWKAWZBL-CQSZACIVSA-N -1 0 328.368 2.609 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001609329246 1098250192 /nfs/dbraw/zinc/25/01/92/1098250192.db2.gz MMWXPONOTGUXLF-ZDUSSCGKSA-N -1 0 332.400 2.801 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001609356687 1098263605 /nfs/dbraw/zinc/26/36/05/1098263605.db2.gz BOWMUWMLTTYSTC-UHFFFAOYSA-N -1 0 333.413 2.938 20 30 EFEDRM C=CCN1CC[C@@H](Nc2ccc(OCC(=O)[O-])c3ccccc23)C1=O ZINC001609399000 1098287320 /nfs/dbraw/zinc/28/73/20/1098287320.db2.gz WDSUFNCOCXULRY-MRXNPFEDSA-N -1 0 340.379 2.502 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(C)(C)c1cccc2ccccc21)C(=O)[O-] ZINC001609432455 1098318657 /nfs/dbraw/zinc/31/86/57/1098318657.db2.gz UKXVTYFJODXXLC-QGZVFWFLSA-N -1 0 341.407 2.889 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001609442957 1098326229 /nfs/dbraw/zinc/32/62/29/1098326229.db2.gz MJGQYGHGCMPKOB-AWEZNQCLSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001609460411 1098337060 /nfs/dbraw/zinc/33/70/60/1098337060.db2.gz UXVLYMNNOHIXTN-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C/c1ccncn1 ZINC001609464092 1098339107 /nfs/dbraw/zinc/33/91/07/1098339107.db2.gz LWLSDUPDERZQOG-AATRIKPKSA-N -1 0 340.335 2.531 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1coc(CC)n1 ZINC001609464386 1098339286 /nfs/dbraw/zinc/33/92/86/1098339286.db2.gz ZQYZQAURNWZTHT-UHFFFAOYSA-N -1 0 331.324 2.892 20 30 EFEDRM Cc1sccc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001609472133 1098343162 /nfs/dbraw/zinc/34/31/62/1098343162.db2.gz OYTZTDUFWMFLQT-UHFFFAOYSA-N -1 0 331.405 2.869 20 30 EFEDRM C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001609485439 1098352462 /nfs/dbraw/zinc/35/24/62/1098352462.db2.gz QGFFYIHZFRFGOB-ZIAGYGMSSA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc(Cl)ccc2O)C1=O ZINC001269686174 1098359526 /nfs/dbraw/zinc/35/95/26/1098359526.db2.gz HXAQRPIDURYOAD-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM O=C(C=Cc1nc(-c2nn[nH]n2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519734 1098368511 /nfs/dbraw/zinc/36/85/11/1098368511.db2.gz JYSJZHHFAVMCFM-ONEGZZNKSA-N -1 0 333.760 2.578 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609631432 1098410195 /nfs/dbraw/zinc/41/01/95/1098410195.db2.gz CHUQLNQNOHPXGD-PXAZEXFGSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NOCCCC(=O)[O-] ZINC001609630981 1098410341 /nfs/dbraw/zinc/41/03/41/1098410341.db2.gz LDHXHGFGXBAZBT-LLVKDONJSA-N -1 0 337.401 2.856 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2ccccc2n1CC#N)C1CCC1 ZINC001609640246 1098412010 /nfs/dbraw/zinc/41/20/10/1098412010.db2.gz BOAINCOJLMVMOX-LBPRGKRZSA-N -1 0 325.368 2.633 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC001609645108 1098414573 /nfs/dbraw/zinc/41/45/73/1098414573.db2.gz KECPHRJUVYDXFJ-CQSZACIVSA-N -1 0 343.427 2.971 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NCC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC001609645107 1098414638 /nfs/dbraw/zinc/41/46/38/1098414638.db2.gz KECPHRJUVYDXFJ-AWEZNQCLSA-N -1 0 343.427 2.971 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001609647568 1098415458 /nfs/dbraw/zinc/41/54/58/1098415458.db2.gz WLHGXEALXZCNFH-HNNXBMFYSA-N -1 0 326.396 2.815 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC001609649490 1098416024 /nfs/dbraw/zinc/41/60/24/1098416024.db2.gz HYSLMFUYNWXXEN-MRXNPFEDSA-N -1 0 340.423 2.939 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(C#N)cn2)cc1 ZINC001609651647 1098416107 /nfs/dbraw/zinc/41/61/07/1098416107.db2.gz LGULEIWNUAXVPN-UHFFFAOYSA-N -1 0 338.367 2.637 20 30 EFEDRM CC(C)(CCN=Nc1ncnc2c1cnn2-c1ccccc1)C(=O)[O-] ZINC001609674060 1098422738 /nfs/dbraw/zinc/42/27/38/1098422738.db2.gz KBIDFVPXMBYALA-UHFFFAOYSA-N -1 0 338.371 2.714 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001609683335 1098426485 /nfs/dbraw/zinc/42/64/85/1098426485.db2.gz DRKJVANHMYXEKU-MRXNPFEDSA-N -1 0 335.835 2.704 20 30 EFEDRM CC(C)[C@@H](Sc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609687303 1098428151 /nfs/dbraw/zinc/42/81/51/1098428151.db2.gz DVAGWVXKPNBNAR-MRXNPFEDSA-N -1 0 346.452 2.998 20 30 EFEDRM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001609691844 1098429095 /nfs/dbraw/zinc/42/90/95/1098429095.db2.gz VOKOHLHMLNPGJC-SFHVURJKSA-N -1 0 340.383 2.629 20 30 EFEDRM CC(C)Oc1ncccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001609714936 1098435304 /nfs/dbraw/zinc/43/53/04/1098435304.db2.gz FOUAZNSNSFTRET-HNNXBMFYSA-N -1 0 340.335 2.723 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609720759 1098437209 /nfs/dbraw/zinc/43/72/09/1098437209.db2.gz KDTWBKNEWSQNOT-AWEZNQCLSA-N -1 0 343.427 2.827 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001609732725 1098441118 /nfs/dbraw/zinc/44/11/18/1098441118.db2.gz KBDOMLMENJUKCK-SKDRFNHKSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001609732506 1098441489 /nfs/dbraw/zinc/44/14/89/1098441489.db2.gz AYVYZJQDRDOMON-BXKDBHETSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001609734404 1098442056 /nfs/dbraw/zinc/44/20/56/1098442056.db2.gz XXNDZFGQCIPXQJ-SNVBAGLBSA-N -1 0 346.774 2.837 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001609741917 1098443883 /nfs/dbraw/zinc/44/38/83/1098443883.db2.gz BPHNXZDLZXKLJV-LBPRGKRZSA-N -1 0 328.393 2.983 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)c(O)c1)C(=O)[O-] ZINC001609742737 1098444641 /nfs/dbraw/zinc/44/46/41/1098444641.db2.gz ZWDVSMHSHOXAMX-ZDUSSCGKSA-N -1 0 338.363 2.627 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001609804077 1098463190 /nfs/dbraw/zinc/46/31/90/1098463190.db2.gz CAKASBWQXFAAFL-GHMZBOCLSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC001609810452 1098465802 /nfs/dbraw/zinc/46/58/02/1098465802.db2.gz QSQUWTIVMKGWKY-MAUKXSAKSA-N -1 0 329.400 2.928 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001609905606 1098490148 /nfs/dbraw/zinc/49/01/48/1098490148.db2.gz UTJADMCCAUNVCY-MRXNPFEDSA-N -1 0 345.443 2.735 20 30 EFEDRM CC[C@@H](C)C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609906149 1098490244 /nfs/dbraw/zinc/49/02/44/1098490244.db2.gz BKCXNQBUHYSXLY-LDYMZIIASA-N -1 0 343.305 2.591 20 30 EFEDRM CC[C@H](C)C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609906142 1098490365 /nfs/dbraw/zinc/49/03/65/1098490365.db2.gz BKCXNQBUHYSXLY-GZMMTYOYSA-N -1 0 343.305 2.591 20 30 EFEDRM CC[C@](CNc1ncc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609920098 1098493991 /nfs/dbraw/zinc/49/39/91/1098493991.db2.gz IFANCGFMGSZARZ-QGZVFWFLSA-N -1 0 340.339 2.706 20 30 EFEDRM CC[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001609919261 1098494092 /nfs/dbraw/zinc/49/40/92/1098494092.db2.gz KWNRBCBIQMQOHB-CYBMUJFWSA-N -1 0 327.384 2.786 20 30 EFEDRM CC[C@@](CNC(=O)N1CCC(CC#N)CC1)(C(=O)[O-])c1ccccc1 ZINC001609921700 1098495023 /nfs/dbraw/zinc/49/50/23/1098495023.db2.gz OBMBXPCFLXPTEN-IBGZPJMESA-N -1 0 343.427 2.754 20 30 EFEDRM CC[C@@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC001609939025 1098500050 /nfs/dbraw/zinc/50/00/50/1098500050.db2.gz TXBUWEXTXSKMAA-WSKFYRRCSA-N -1 0 345.273 2.764 20 30 EFEDRM CCC[C@]1(C(=O)OCC)CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001609958137 1098506079 /nfs/dbraw/zinc/50/60/79/1098506079.db2.gz UIMKXVXPNSKBQH-LJQANCHMSA-N -1 0 344.411 2.954 20 30 EFEDRM CCC[C@@]1(C(=O)OCC)CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001609958136 1098506109 /nfs/dbraw/zinc/50/61/09/1098506109.db2.gz UIMKXVXPNSKBQH-IBGZPJMESA-N -1 0 344.411 2.954 20 30 EFEDRM CCCC[C@@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001609966391 1098508677 /nfs/dbraw/zinc/50/86/77/1098508677.db2.gz DBALNWWQDCYPTL-ZBFHGGJFSA-N -1 0 332.400 2.721 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-] ZINC001609967284 1098509676 /nfs/dbraw/zinc/50/96/76/1098509676.db2.gz PCPLNSHYDCWSQM-GFCCVEGCSA-N -1 0 344.820 2.523 20 30 EFEDRM CCCc1c(C(=O)NCc2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC001609984780 1098513464 /nfs/dbraw/zinc/51/34/64/1098513464.db2.gz HXAZYSIDDDQKQR-UHFFFAOYSA-N -1 0 325.368 2.776 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2ccc(C)c(C(=O)[O-])c2)[C@H]1n1cccn1 ZINC001610038229 1098527009 /nfs/dbraw/zinc/52/70/09/1098527009.db2.gz DALCKITXQDEYJD-HZPDHXFCSA-N -1 0 328.372 2.708 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001610057834 1098533025 /nfs/dbraw/zinc/53/30/25/1098533025.db2.gz ASZVWRBGSIMVBO-UHFFFAOYSA-N -1 0 337.378 2.648 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001610060590 1098534600 /nfs/dbraw/zinc/53/46/00/1098534600.db2.gz XPRLOOWXLBYCTM-HNNXBMFYSA-N -1 0 327.405 2.994 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C#N)ccc1C ZINC001610066572 1098536595 /nfs/dbraw/zinc/53/65/95/1098536595.db2.gz AWDAJPKWJAGERH-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM CCc1oc(CN=Nc2nccc(N(CC)CC)n2)cc1C(=O)[O-] ZINC001610078663 1098541421 /nfs/dbraw/zinc/54/14/21/1098541421.db2.gz BONNRCSTLJJUTH-UHFFFAOYSA-N -1 0 331.376 2.622 20 30 EFEDRM CCc1oc(C=NNc2ccc(OC)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001610080773 1098542930 /nfs/dbraw/zinc/54/29/30/1098542930.db2.gz ZJGSOBJKATWWKW-UHFFFAOYSA-N -1 0 333.300 2.903 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccccc1[S-])CC2 ZINC001269956772 1098546627 /nfs/dbraw/zinc/54/66/27/1098546627.db2.gz LCXKWAFUYMEFBK-AWEZNQCLSA-N -1 0 330.453 2.520 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001610104195 1098548619 /nfs/dbraw/zinc/54/86/19/1098548619.db2.gz CJRDPHNDZZUVJF-UHFFFAOYSA-N -1 0 345.305 2.853 20 30 EFEDRM CN(CCOc1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610117072 1098551352 /nfs/dbraw/zinc/55/13/52/1098551352.db2.gz RDCALRHTJLCIQR-UHFFFAOYSA-N -1 0 326.352 2.537 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3cccc(Cl)c3[O-])CC2)C1=O ZINC001269982366 1098558293 /nfs/dbraw/zinc/55/82/93/1098558293.db2.gz BXMPDJVSUDSRSC-UHFFFAOYSA-N -1 0 348.830 2.686 20 30 EFEDRM COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001610153860 1098559509 /nfs/dbraw/zinc/55/95/09/1098559509.db2.gz AEESLPHCEIHFRK-JKSUJKDBSA-N -1 0 344.411 2.595 20 30 EFEDRM COC(=O)c1cc(COc2ccc(C#N)c(OC)c2)cc(C(=O)[O-])c1 ZINC001610201062 1098569305 /nfs/dbraw/zinc/56/93/05/1098569305.db2.gz WEZKLGDPXBPARF-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC001610204387 1098570083 /nfs/dbraw/zinc/57/00/83/1098570083.db2.gz QUKTVHYCPBRPSH-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COC(=O)c1cc(OCCOc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001610204420 1098570752 /nfs/dbraw/zinc/57/07/52/1098570752.db2.gz ULIRFIQAUPMWJC-UHFFFAOYSA-N -1 0 341.319 2.501 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001610277839 1098598509 /nfs/dbraw/zinc/59/85/09/1098598509.db2.gz SFESPCSVAHOJBB-KRWDZBQOSA-N -1 0 340.379 2.839 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(C#N)c1 ZINC001610286650 1098602986 /nfs/dbraw/zinc/60/29/86/1098602986.db2.gz JYCHTEYTPPKHQT-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)Oc1ccccc1C#N ZINC001610288432 1098604159 /nfs/dbraw/zinc/60/41/59/1098604159.db2.gz OXNGZMMKZSIWFO-NSHDSACASA-N -1 0 341.319 2.638 20 30 EFEDRM COc1cc(OCc2cccc(C(=O)[O-])c2C#N)ccc1[N+](=O)[O-] ZINC001610306693 1098613277 /nfs/dbraw/zinc/61/32/77/1098613277.db2.gz JXVGXLNAROMHIS-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC001610352326 1098633989 /nfs/dbraw/zinc/63/39/89/1098633989.db2.gz SINCCGLAFCMCIQ-OAHLLOKOSA-N -1 0 337.379 2.806 20 30 EFEDRM COc1ccccc1CN(OC)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610365051 1098641799 /nfs/dbraw/zinc/64/17/99/1098641799.db2.gz CJMFUMJWVHUGMV-QGZVFWFLSA-N -1 0 326.352 2.756 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2csc(C#N)c2)c(C)c1C(=O)[O-] ZINC001610398820 1098656491 /nfs/dbraw/zinc/65/64/91/1098656491.db2.gz QFKKLWCLYWYGTN-SECBINFHSA-N -1 0 346.364 2.691 20 30 EFEDRM Cc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cccc1-c1ccccn1 ZINC001610405875 1098659610 /nfs/dbraw/zinc/65/96/10/1098659610.db2.gz XKKVKPJNTPDBOG-UHFFFAOYSA-N -1 0 349.390 2.888 20 30 EFEDRM Cc1c(NC(=O)c2cc(C#N)cs2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610423358 1098669108 /nfs/dbraw/zinc/66/91/08/1098669108.db2.gz ALLTWGJEEZFVLY-UHFFFAOYSA-N -1 0 331.309 2.787 20 30 EFEDRM Cc1cc(C=NN2C(=S)N=NC2c2cccs2)[nH]c1C(=O)[O-] ZINC001610459656 1098691066 /nfs/dbraw/zinc/69/10/66/1098691066.db2.gz PRAQADWQISJQDE-UHFFFAOYSA-N -1 0 333.398 2.512 20 30 EFEDRM Cc1cc(Cl)cc(C#N)c1OCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001610462886 1098692856 /nfs/dbraw/zinc/69/28/56/1098692856.db2.gz XDLWESKJAQWVOQ-CYBMUJFWSA-N -1 0 338.791 2.514 20 30 EFEDRM Cc1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C#N ZINC001610461709 1098693180 /nfs/dbraw/zinc/69/31/80/1098693180.db2.gz PQHYJXAMFQKSAF-UHFFFAOYSA-N -1 0 340.291 2.830 20 30 EFEDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)n2c3ccccc3nc2c1C#N ZINC001610468725 1098695643 /nfs/dbraw/zinc/69/56/43/1098695643.db2.gz AYIKFIYURHTPPE-QWHCGFSZSA-N -1 0 334.379 2.967 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(C)c(C#N)c(C)c1C ZINC001610476376 1098698237 /nfs/dbraw/zinc/69/82/37/1098698237.db2.gz RERRRACNEVEPAI-UHFFFAOYSA-N -1 0 349.364 2.851 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2CC#N)cc1 ZINC001610494127 1098711096 /nfs/dbraw/zinc/71/10/96/1098711096.db2.gz XBNGCNRXRWNBQN-GOSISDBHSA-N -1 0 336.391 2.936 20 30 EFEDRM Cc1ccc([C@H](NCC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])cc1C ZINC001610495296 1098713500 /nfs/dbraw/zinc/71/35/00/1098713500.db2.gz OIMOPGGJUUUWCL-SFHVURJKSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1ccc(NC(=O)CN(C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001610507154 1098720013 /nfs/dbraw/zinc/72/00/13/1098720013.db2.gz URKRMMLAWDRKJY-UHFFFAOYSA-N -1 0 337.379 2.635 20 30 EFEDRM Cc1ccc2ncc(C#N)c(OCC(=O)c3cc(C(=O)[O-])co3)c2c1 ZINC001610516253 1098725343 /nfs/dbraw/zinc/72/53/43/1098725343.db2.gz FDWTWMLTAFDGNF-UHFFFAOYSA-N -1 0 336.303 2.968 20 30 EFEDRM Cc1nc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1C#N ZINC001610552490 1098748245 /nfs/dbraw/zinc/74/82/45/1098748245.db2.gz SPCVQWANIWCWKF-UHFFFAOYSA-N -1 0 328.349 2.658 20 30 EFEDRM Cc1nc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)ccc1C#N ZINC001610551318 1098748377 /nfs/dbraw/zinc/74/83/77/1098748377.db2.gz PEPQKMYEKGBNDO-UHFFFAOYSA-N -1 0 336.307 2.589 20 30 EFEDRM Cc1sc2ncnc(N=NCc3cc(C(=O)[O-])n(C)c3)c2c1C ZINC001610593726 1098775691 /nfs/dbraw/zinc/77/56/91/1098775691.db2.gz PPBTVJXBXQGIGJ-UHFFFAOYSA-N -1 0 329.385 2.791 20 30 EFEDRM Cn1cc(CN=Nc2ncnc3c4ccccc4oc32)cc1C(=O)[O-] ZINC001610601879 1098779216 /nfs/dbraw/zinc/77/92/16/1098779216.db2.gz VZUCIWCADIDKPR-UHFFFAOYSA-N -1 0 335.323 2.859 20 30 EFEDRM Cn1cc(CNc2ccn(-c3cccc(F)c3C#N)n2)cc1C(=O)[O-] ZINC001610605301 1098781459 /nfs/dbraw/zinc/78/14/59/1098781459.db2.gz ZWNFJWQYUQWSDM-UHFFFAOYSA-N -1 0 339.330 2.532 20 30 EFEDRM Cn1nc(Br)cc1/C=C/C(=O)c1cc(C(=O)[O-])cs1 ZINC001610612747 1098782774 /nfs/dbraw/zinc/78/27/74/1098782774.db2.gz MBFABLPAFHWCEY-NSCUHMNNSA-N -1 0 341.186 2.838 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC001610617431 1098785718 /nfs/dbraw/zinc/78/57/18/1098785718.db2.gz CUJXRVTWVVFYEK-UHFFFAOYSA-N -1 0 328.290 2.601 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC001610617494 1098785914 /nfs/dbraw/zinc/78/59/14/1098785914.db2.gz GHXICRLWICTXIN-UHFFFAOYSA-N -1 0 334.401 2.633 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCSCc2ccccc2)CC1 ZINC001610618278 1098785947 /nfs/dbraw/zinc/78/59/47/1098785947.db2.gz CMHSZSHZMIYRNR-UHFFFAOYSA-N -1 0 332.425 2.527 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001610617681 1098786114 /nfs/dbraw/zinc/78/61/14/1098786114.db2.gz JKTPSKHDGHIRQJ-UHFFFAOYSA-N -1 0 327.167 2.824 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC001610618275 1098786175 /nfs/dbraw/zinc/78/61/75/1098786175.db2.gz XBRZPEQGEIDWMP-UHFFFAOYSA-N -1 0 341.795 2.866 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC001610618733 1098786302 /nfs/dbraw/zinc/78/63/02/1098786302.db2.gz IXMJOZDIULHJPJ-CQSZACIVSA-N -1 0 333.432 2.889 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC001610618214 1098786320 /nfs/dbraw/zinc/78/63/20/1098786320.db2.gz WLWSMBKCRXZCLL-UHFFFAOYSA-N -1 0 340.301 2.622 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001610619508 1098786475 /nfs/dbraw/zinc/78/64/75/1098786475.db2.gz KXBZRLBRJTWYFB-ZDUSSCGKSA-N -1 0 327.153 2.585 20 30 EFEDRM N#CC1(c2ccccn2)CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001610620514 1098787410 /nfs/dbraw/zinc/78/74/10/1098787410.db2.gz OLMOHRVZTVEEMF-UHFFFAOYSA-N -1 0 341.392 2.539 20 30 EFEDRM N#CCCCCCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001610621731 1098787654 /nfs/dbraw/zinc/78/76/54/1098787654.db2.gz QGYQLXOWYFUROG-UHFFFAOYSA-N -1 0 340.383 2.865 20 30 EFEDRM N#CC[C@@H](CC(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001610620893 1098787819 /nfs/dbraw/zinc/78/78/19/1098787819.db2.gz PRHLECHTKFBBLN-LBPRGKRZSA-N -1 0 344.396 2.581 20 30 EFEDRM N#CC1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001610620235 1098788409 /nfs/dbraw/zinc/78/84/09/1098788409.db2.gz JYWAPKCRVKEKSH-UHFFFAOYSA-N -1 0 325.727 2.945 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)CCc1ocnc1C(=O)[O-])CCCC2 ZINC001610624267 1098788916 /nfs/dbraw/zinc/78/89/16/1098788916.db2.gz NMAPXRWJDDSYKE-UHFFFAOYSA-N -1 0 345.380 2.756 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001610623222 1098789098 /nfs/dbraw/zinc/78/90/98/1098789098.db2.gz TYFUGNCKXAMGSL-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cc(C(=O)[O-])ccc2F)cc1 ZINC001610624398 1098789600 /nfs/dbraw/zinc/78/96/00/1098789600.db2.gz OBJIIZGIHIPSSN-UHFFFAOYSA-N -1 0 327.315 2.641 20 30 EFEDRM N#Cc1c(CN2CCC(C#N)(c3ccccn3)CC2)cccc1C(=O)[O-] ZINC001610623849 1098789943 /nfs/dbraw/zinc/78/99/43/1098789943.db2.gz XEFUPWULSUBMOO-UHFFFAOYSA-N -1 0 346.390 2.709 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)CCCC2 ZINC001610625884 1098790424 /nfs/dbraw/zinc/79/04/24/1098790424.db2.gz DZLTXCWLTGDFGM-CHWSQXEVSA-N -1 0 327.384 2.662 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCOc3c(C(=O)[O-])cccc32)c(F)c1 ZINC001610625819 1098790464 /nfs/dbraw/zinc/79/04/64/1098790464.db2.gz DJOQISITOUGMMD-UHFFFAOYSA-N -1 0 344.273 2.574 20 30 EFEDRM N#Cc1c(COC(=O)c2cnc3ccccc3n2)cccc1C(=O)[O-] ZINC001610625120 1098790690 /nfs/dbraw/zinc/79/06/90/1098790690.db2.gz NDGRBZZCJSJLLX-UHFFFAOYSA-N -1 0 333.303 2.557 20 30 EFEDRM N#Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)ccn1 ZINC001610625619 1098791081 /nfs/dbraw/zinc/79/10/81/1098791081.db2.gz UOOVOSXMOLRANJ-CYBMUJFWSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)ccc1F ZINC001610625005 1098791138 /nfs/dbraw/zinc/79/11/38/1098791138.db2.gz GSIHDMSTKLMMGT-AWEZNQCLSA-N -1 0 334.253 2.531 20 30 EFEDRM N#Cc1c(CS(=O)(=O)c2ccccc2Cl)cccc1C(=O)[O-] ZINC001610625056 1098791463 /nfs/dbraw/zinc/79/14/63/1098791463.db2.gz LQGAUTBBARJCBM-UHFFFAOYSA-N -1 0 335.768 2.884 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001610627451 1098791972 /nfs/dbraw/zinc/79/19/72/1098791972.db2.gz ZZNYCCVVMZARDG-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC001610626572 1098792055 /nfs/dbraw/zinc/79/20/55/1098792055.db2.gz WPVFBAVEPXGNMA-CQSZACIVSA-N -1 0 336.338 2.990 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001610627146 1098792521 /nfs/dbraw/zinc/79/25/21/1098792521.db2.gz ABOYJZMMKXFYKQ-MRXNPFEDSA-N -1 0 333.347 2.506 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1O ZINC001610626834 1098792541 /nfs/dbraw/zinc/79/25/41/1098792541.db2.gz XDVAALLZLSCAKT-JKSUJKDBSA-N -1 0 342.395 2.759 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC001610626571 1098792557 /nfs/dbraw/zinc/79/25/57/1098792557.db2.gz WPVFBAVEPXGNMA-AWEZNQCLSA-N -1 0 336.338 2.990 20 30 EFEDRM N#Cc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])c(OC(F)F)c1 ZINC001610628052 1098792780 /nfs/dbraw/zinc/79/27/80/1098792780.db2.gz MYYWPONPWPDJID-LBPRGKRZSA-N -1 0 342.367 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)cn1 ZINC001610627234 1098793079 /nfs/dbraw/zinc/79/30/79/1098793079.db2.gz CNUFPGJCTSSNGS-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NS(=O)(=O)CCC(=O)[O-])cc2)cc1 ZINC001610630167 1098793633 /nfs/dbraw/zinc/79/36/33/1098793633.db2.gz OZFLLZXABPUITJ-UHFFFAOYSA-N -1 0 346.364 2.567 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001610631108 1098793686 /nfs/dbraw/zinc/79/36/86/1098793686.db2.gz IQKXFIYNZMOQSJ-KRWDZBQOSA-N -1 0 335.363 2.994 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1Cl ZINC001610629999 1098793828 /nfs/dbraw/zinc/79/38/28/1098793828.db2.gz JMEMXEINCLDJHR-UHFFFAOYSA-N -1 0 343.788 2.565 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001610629451 1098793918 /nfs/dbraw/zinc/79/39/18/1098793918.db2.gz WHTJLPUQWLHRDV-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1ccc(N2CCN([C@H](C(=O)[O-])c3ccsc3)CC2)c(F)c1 ZINC001610628792 1098794132 /nfs/dbraw/zinc/79/41/32/1098794132.db2.gz PNADGDIUHYGSRX-INIZCTEOSA-N -1 0 345.399 2.707 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001610628296 1098794141 /nfs/dbraw/zinc/79/41/41/1098794141.db2.gz VZZOHARYRFJSQH-UHFFFAOYSA-N -1 0 332.718 2.979 20 30 EFEDRM N#Cc1cccc(NC(=O)CSCc2cccc(C(=O)[O-])n2)c1 ZINC001610631235 1098794244 /nfs/dbraw/zinc/79/42/44/1098794244.db2.gz UHLXRFQRIJEHFR-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1cccc(CSCc2noc(CCCC(=O)[O-])n2)c1F ZINC001610630967 1098794318 /nfs/dbraw/zinc/79/43/18/1098794318.db2.gz INRIJGPDRHPNGG-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM N#Cc1ccc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001610628566 1098794655 /nfs/dbraw/zinc/79/46/55/1098794655.db2.gz KCEPKNIQUXKEQN-SFHVURJKSA-N -1 0 337.335 2.699 20 30 EFEDRM N#Cc1ccc(OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(F)c1 ZINC001610629407 1098794735 /nfs/dbraw/zinc/79/47/35/1098794735.db2.gz OHLMMXFTILPZDY-UHFFFAOYSA-N -1 0 338.294 2.956 20 30 EFEDRM N#Cc1ccc(NC(=S)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl ZINC001610629533 1098794746 /nfs/dbraw/zinc/79/47/46/1098794746.db2.gz YHJOAFANCASHPG-QWHCGFSZSA-N -1 0 349.843 2.951 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(C3CCCC3)n2)C(=O)[O-])c1 ZINC001610631657 1098795435 /nfs/dbraw/zinc/79/54/35/1098795435.db2.gz HCLWCRITDXCINL-MRXNPFEDSA-N -1 0 339.351 2.853 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC001610632743 1098796024 /nfs/dbraw/zinc/79/60/24/1098796024.db2.gz UJNFTXGYPNEYNJ-QGZVFWFLSA-N -1 0 344.411 2.963 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3cc(C(=O)[O-])ccc3F)CCO2)c1 ZINC001610632373 1098796133 /nfs/dbraw/zinc/79/61/33/1098796133.db2.gz WANAFBKXMYMOQN-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001610632555 1098796201 /nfs/dbraw/zinc/79/62/01/1098796201.db2.gz YSMVVKLKVTYUGG-MRXNPFEDSA-N -1 0 346.745 2.835 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Nc2cccc(F)c2C(=O)[O-])C1=O ZINC001610633963 1098796738 /nfs/dbraw/zinc/79/67/38/1098796738.db2.gz XTZVJWXSQHWDRZ-LBPRGKRZSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1csc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001610634373 1098796917 /nfs/dbraw/zinc/79/69/17/1098796917.db2.gz ZGJQARIPUGRZEX-AWEZNQCLSA-N -1 0 328.393 2.826 20 30 EFEDRM NC(=NOCc1ccccc1C(=O)[O-])c1ccc(Br)o1 ZINC001610637610 1098797406 /nfs/dbraw/zinc/79/74/06/1098797406.db2.gz WTMVBLGTMRIMNV-UHFFFAOYSA-N -1 0 339.145 2.577 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Nc2cccc(F)c2C(=O)[O-])C1=O ZINC001610633960 1098797446 /nfs/dbraw/zinc/79/74/46/1098797446.db2.gz XTZVJWXSQHWDRZ-GFCCVEGCSA-N -1 0 345.355 2.674 20 30 EFEDRM O=C([O-])c1occc1/C=C\C(=O)c1ccc(N2CCOC2=O)cc1 ZINC001610650484 1098802288 /nfs/dbraw/zinc/80/22/88/1098802288.db2.gz IEMMNOVGUGQCDN-UTCJRWHESA-N -1 0 327.292 2.831 20 30 EFEDRM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)CC#Cc1ccccc1 ZINC001610652233 1098804337 /nfs/dbraw/zinc/80/43/37/1098804337.db2.gz UUUFFFQKPCFIPF-KRWDZBQOSA-N -1 0 326.323 2.806 20 30 EFEDRM O=C([O-])c1ccccc1NC(=O)CON=C1CCOc2ccccc21 ZINC001610669721 1098815295 /nfs/dbraw/zinc/81/52/95/1098815295.db2.gz ZIFDLDDWGKLSJU-UHFFFAOYSA-N -1 0 340.335 2.527 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC001610785643 1098884277 /nfs/dbraw/zinc/88/42/77/1098884277.db2.gz JCPZOLPJYRKIQG-NVNXTCNLSA-N -1 0 341.275 2.674 20 30 EFEDRM COc1cc(O)ccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000011298853 1099083971 /nfs/dbraw/zinc/08/39/71/1099083971.db2.gz IUZSULZSFZHPNK-SOFGYWHQSA-N -1 0 328.320 2.760 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)Cc3ccc([S-])cc3)C2)C1=O ZINC001270466007 1099116686 /nfs/dbraw/zinc/11/66/86/1099116686.db2.gz SXOITZLIEOEAJR-LJQANCHMSA-N -1 0 344.480 2.545 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([S-])cc1 ZINC001270465856 1099117193 /nfs/dbraw/zinc/11/71/93/1099117193.db2.gz RRWCIFHFBAVCHN-IAGOWNOFSA-N -1 0 344.480 2.686 20 30 EFEDRM CC[C@@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC(C)C)C1 ZINC001649189552 1099555738 /nfs/dbraw/zinc/55/57/38/1099555738.db2.gz MDKYKCKSRILIRZ-CYBMUJFWSA-N -1 0 340.431 2.810 20 30 EFEDRM Cc1nc(N[C@@H](CNC(=O)c2ccccc2O)C(C)C)ccc1C#N ZINC001105133305 1099778067 /nfs/dbraw/zinc/77/80/67/1099778067.db2.gz AFXCZDIGXZPCOL-INIZCTEOSA-N -1 0 338.411 2.834 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000042234037 1100077124 /nfs/dbraw/zinc/07/71/24/1100077124.db2.gz BQIQEXCTDLOGCZ-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000042234361 1100077912 /nfs/dbraw/zinc/07/79/12/1100077912.db2.gz NLIWVQLMTDLYRC-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001631395757 1100393782 /nfs/dbraw/zinc/39/37/82/1100393782.db2.gz FNJHDSIGPDMCBT-UHFFFAOYSA-N -1 0 336.286 2.508 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1sccc1C#N ZINC001634843227 1100632130 /nfs/dbraw/zinc/63/21/30/1100632130.db2.gz QKNKBJRZMNSWBF-UHFFFAOYSA-N -1 0 325.353 2.671 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(F)c1C#N ZINC001639297864 1100936401 /nfs/dbraw/zinc/93/64/01/1100936401.db2.gz DSDJGRXKZRLSIG-UHFFFAOYSA-N -1 0 337.314 2.749 20 30 EFEDRM N#Cc1cccc(-c2nc([N-]C(=O)c3nc(Cl)cs3)n[nH]2)c1 ZINC001641930114 1101176696 /nfs/dbraw/zinc/17/66/96/1101176696.db2.gz OQZCLGWZONDFKL-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM O=S(=O)([N-]c1nccs1)c1ccc(NN=Cc2ccc[nH]2)cc1 ZINC000748081899 1101461912 /nfs/dbraw/zinc/46/19/12/1101461912.db2.gz RSIGYNPQEDQGPS-UHFFFAOYSA-N -1 0 347.425 2.718 20 30 EFEDRM Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(F)F ZINC000588394060 1101750000 /nfs/dbraw/zinc/75/00/00/1101750000.db2.gz VYIMXDPEKDJBOV-LMVHVUTASA-N -1 0 336.290 2.825 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785046255 1102084151 /nfs/dbraw/zinc/08/41/51/1102084151.db2.gz ZFNNLQQMGOJCMO-UHFFFAOYSA-N -1 0 330.409 2.542 20 30 EFEDRM CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000796676411 1102092070 /nfs/dbraw/zinc/09/20/70/1102092070.db2.gz GNSDZJYFIUDXHZ-HZPDHXFCSA-N -1 0 334.441 2.721 20 30 EFEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000075778419 1102570002 /nfs/dbraw/zinc/57/00/02/1102570002.db2.gz PGAKJAZXONKPFX-UHFFFAOYSA-N -1 0 340.382 2.934 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000748132944 1102678526 /nfs/dbraw/zinc/67/85/26/1102678526.db2.gz HZRMSXXLCPXJHO-UHFFFAOYSA-N -1 0 329.316 2.805 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748132147 1102685655 /nfs/dbraw/zinc/68/56/55/1102685655.db2.gz QUPHORMRBYNTNZ-ZYHUDNBSSA-N -1 0 336.417 2.677 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1sc2c(c1C#N)CCC2)C(C)C ZINC000906072422 1103883327 /nfs/dbraw/zinc/88/33/27/1103883327.db2.gz KEPVYSLBXDMPGN-LBPRGKRZSA-N -1 0 328.459 2.521 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000906073391 1103903377 /nfs/dbraw/zinc/90/33/77/1103903377.db2.gz BYXADDORPXWWMZ-NXEZZACHSA-N -1 0 328.459 2.694 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000906073394 1103903753 /nfs/dbraw/zinc/90/37/53/1103903753.db2.gz BYXADDORPXWWMZ-ZJUUUORDSA-N -1 0 328.459 2.694 20 30 EFEDRM C=CC[C@H](Oc1nc(I)cc(=O)[n-]1)C(C)C ZINC001228950497 1104229460 /nfs/dbraw/zinc/22/94/60/1104229460.db2.gz ODUUMMQZHMAREI-QMMMGPOBSA-N -1 0 334.157 2.766 20 30 EFEDRM COC(=O)COc1ccccc1C(C)=NNc1ccc(C(=O)[O-])cc1 ZINC000783769438 1104250058 /nfs/dbraw/zinc/25/00/58/1104250058.db2.gz FPJOSJBLDSUNEO-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM Cc1cc(COc2ccc(C=NN(C)C[C@@H](C)O)cc2)oc1C(=O)[O-] ZINC000841650657 1104305312 /nfs/dbraw/zinc/30/53/12/1104305312.db2.gz HBQPYDYXBHOYFK-CYBMUJFWSA-N -1 0 346.383 2.512 20 30 EFEDRM CNC(=O)CCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000729641388 1104645043 /nfs/dbraw/zinc/64/50/43/1104645043.db2.gz GWHCTVQSAJUNEJ-UHFFFAOYSA-N -1 0 343.339 2.566 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000729665331 1104743116 /nfs/dbraw/zinc/74/31/16/1104743116.db2.gz IUWSHEBZCZTWSS-UHFFFAOYSA-N -1 0 335.406 2.561 20 30 EFEDRM COc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000127858782 1106074469 /nfs/dbraw/zinc/07/44/69/1106074469.db2.gz VKOUGYZUSHFZOE-ZDUSSCGKSA-N -1 0 339.307 2.565 20 30 EFEDRM N#Cc1ccc(NC[C@@H]2CCCN(C(=O)c3ccccc3O)C2)cn1 ZINC001059994029 1106524089 /nfs/dbraw/zinc/52/40/89/1106524089.db2.gz CRMDEUKGNACGMN-AWEZNQCLSA-N -1 0 336.395 2.623 20 30 EFEDRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)N(O)Cc1ccc(F)cc1 ZINC000904173274 1107688541 /nfs/dbraw/zinc/68/85/41/1107688541.db2.gz IAGXHAWKBZREHA-CQSZACIVSA-N -1 0 344.386 2.681 20 30 EFEDRM Cc1nn(CC(F)F)c(C)c1C(=O)N(O)Cc1ccc(F)cc1 ZINC000904172770 1107688592 /nfs/dbraw/zinc/68/85/92/1107688592.db2.gz BWVXKDBJFSRGNY-UHFFFAOYSA-N -1 0 327.306 2.936 20 30 EFEDRM C=CCCCC(=O)N(C)[C@H](CNC(=O)c1ccccc1O)C1CC1 ZINC001679863992 1107714015 /nfs/dbraw/zinc/71/40/15/1107714015.db2.gz XUINQRBWJXZKBX-MRXNPFEDSA-N -1 0 330.428 2.715 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1C ZINC000739670032 1107866728 /nfs/dbraw/zinc/86/67/28/1107866728.db2.gz CYWXODKLJAWGRW-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(N(C)C)c2)n1 ZINC000006606021 1108126106 /nfs/dbraw/zinc/12/61/06/1108126106.db2.gz KWVQGDAIVNRFCC-AWEZNQCLSA-N -1 0 343.408 2.551 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cccc([S-])c3)C2)C1=O ZINC001272380158 1108130780 /nfs/dbraw/zinc/13/07/80/1108130780.db2.gz TVLZUIROCBKSMR-GOSISDBHSA-N -1 0 330.453 2.616 20 30 EFEDRM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc([S-])c1)CC2 ZINC001272380591 1108133114 /nfs/dbraw/zinc/13/31/14/1108133114.db2.gz XBKUUAAWRCLGBE-INIZCTEOSA-N -1 0 344.480 2.910 20 30 EFEDRM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(O)c(F)c1)CC2 ZINC001272401341 1108186857 /nfs/dbraw/zinc/18/68/57/1108186857.db2.gz MYOGTRCMSBIIAQ-UHFFFAOYSA-N -1 0 346.402 2.562 20 30 EFEDRM Cc1noc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000176387164 1108438089 /nfs/dbraw/zinc/43/80/89/1108438089.db2.gz RLKLKLCDPXJUNU-CYBMUJFWSA-N -1 0 336.351 2.692 20 30 EFEDRM C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])NC(=O)C1CCCCC1 ZINC000176398107 1108446654 /nfs/dbraw/zinc/44/66/54/1108446654.db2.gz DMTGPFBQWWPMRV-LBPRGKRZSA-N -1 0 329.400 2.677 20 30 EFEDRM CC1CCC(N2C[C@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)CC1 ZINC000176404770 1108457016 /nfs/dbraw/zinc/45/70/16/1108457016.db2.gz IKSBKXWQKHXRDZ-HNFVBEJKSA-N -1 0 341.411 2.630 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1 ZINC000128456592 1109190290 /nfs/dbraw/zinc/19/02/90/1109190290.db2.gz PNGKZWPUTQIIDK-UHFFFAOYSA-N -1 0 338.348 2.855 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc1CC(=O)[O-] ZINC000899342838 1109293357 /nfs/dbraw/zinc/29/33/57/1109293357.db2.gz HJPUTRGFGTYBCS-FNORWQNLSA-N -1 0 340.379 2.829 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c1)C(=O)[O-] ZINC000899350632 1109296557 /nfs/dbraw/zinc/29/65/57/1109296557.db2.gz KCYHTGOPZOLOLM-PRDAAYKISA-N -1 0 340.379 2.657 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000042232245 1109343218 /nfs/dbraw/zinc/34/32/18/1109343218.db2.gz OLWTWQLWBDLKJY-UHFFFAOYSA-N -1 0 327.365 2.566 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000042235368 1109359663 /nfs/dbraw/zinc/35/96/63/1109359663.db2.gz AKMQEWJREUFUTR-UHFFFAOYSA-N -1 0 332.381 2.647 20 30 EFEDRM C=CCC1(O)CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000899589650 1109403495 /nfs/dbraw/zinc/40/34/95/1109403495.db2.gz ZQAKDTLJEVZVHJ-UHFFFAOYSA-N -1 0 340.217 2.698 20 30 EFEDRM CCOc1ccc(C[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000842323226 1109446864 /nfs/dbraw/zinc/44/68/64/1109446864.db2.gz GYOIGRSGOBNXQN-CJNGLKHVSA-N -1 0 339.395 2.589 20 30 EFEDRM C=CCC1(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)CCOCC1 ZINC000899826291 1109504101 /nfs/dbraw/zinc/50/41/01/1109504101.db2.gz VIMJTDSPDTUJOL-MRXNPFEDSA-N -1 0 331.412 2.795 20 30 EFEDRM C=CCCCS(=O)(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000899948469 1109559372 /nfs/dbraw/zinc/55/93/72/1109559372.db2.gz FFFXPAGAYHBYKY-UHFFFAOYSA-N -1 0 337.397 2.559 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCc1cccc(C)c1 ZINC000042325184 1109645116 /nfs/dbraw/zinc/64/51/16/1109645116.db2.gz DOCJMWQOVGNQRL-UHFFFAOYSA-N -1 0 335.429 2.623 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000153263753 1111291793 /nfs/dbraw/zinc/29/17/93/1111291793.db2.gz LBVLCUHSFFSJHM-OAHLLOKOSA-N -1 0 332.363 2.698 20 30 EFEDRM CCCCCN1c2ccccc2C(=N[N-]c2nccc(OC)n2)C1=O ZINC000914695872 1111329872 /nfs/dbraw/zinc/32/98/72/1111329872.db2.gz HHYMMKYESLBSTQ-UHFFFAOYSA-N -1 0 339.399 2.838 20 30 EFEDRM NC(=O)c1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000914701566 1111332909 /nfs/dbraw/zinc/33/29/09/1111332909.db2.gz LRSATGQHLHKHPR-UHFFFAOYSA-N -1 0 337.694 2.942 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000176614315 1111664082 /nfs/dbraw/zinc/66/40/82/1111664082.db2.gz XDDBRRSXLCSEBV-UHFFFAOYSA-N -1 0 346.246 2.919 20 30 EFEDRM Cn1c(C(C#N)=C([O-])C(=O)c2cnn(C(C)(C)C)c2)nc2ccccc21 ZINC000916844860 1111991916 /nfs/dbraw/zinc/99/19/16/1111991916.db2.gz HDYVLWXXNYFKAR-ZDUSSCGKSA-N -1 0 349.394 2.584 20 30 EFEDRM Cn1c(C(C#N)=C([O-])C(=O)c2cnn(C(C)(C)C)c2)nc2ccccc21 ZINC000916844859 1111992026 /nfs/dbraw/zinc/99/20/26/1111992026.db2.gz HDYVLWXXNYFKAR-CYBMUJFWSA-N -1 0 349.394 2.584 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916870870 1111993446 /nfs/dbraw/zinc/99/34/46/1111993446.db2.gz ONCMYWBGSBSHAW-IBGZPJMESA-N -1 0 348.402 2.733 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(OC)c1)O[C@@H](C)C2 ZINC000916877290 1111994070 /nfs/dbraw/zinc/99/40/70/1111994070.db2.gz PUHFAOZXCPATHJ-SWLSCSKDSA-N -1 0 344.411 2.647 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2nccc2C)cc1 ZINC000916877895 1111994413 /nfs/dbraw/zinc/99/44/13/1111994413.db2.gz YJKFTHGHWXNQHG-KRWDZBQOSA-N -1 0 338.411 2.810 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2nccc2C)cc1 ZINC000916877898 1111994440 /nfs/dbraw/zinc/99/44/40/1111994440.db2.gz YJKFTHGHWXNQHG-QGZVFWFLSA-N -1 0 338.411 2.810 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916920058 1111997510 /nfs/dbraw/zinc/99/75/10/1111997510.db2.gz HKCWDJDLHSEKTI-IBGZPJMESA-N -1 0 328.371 2.711 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000916919960 1111997601 /nfs/dbraw/zinc/99/76/01/1111997601.db2.gz DYFVRSOJDCLBDX-LLVKDONJSA-N -1 0 347.168 2.820 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000916895887 1111997614 /nfs/dbraw/zinc/99/76/14/1111997614.db2.gz VXGCGOXGZSHMRH-MRXNPFEDSA-N -1 0 341.411 2.725 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175118019 1112383868 /nfs/dbraw/zinc/38/38/68/1112383868.db2.gz UIVHGXWGDGDBLK-CQSZACIVSA-N -1 0 328.393 2.704 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175117959 1112383873 /nfs/dbraw/zinc/38/38/73/1112383873.db2.gz ZKSHGALBNZRARV-INIZCTEOSA-N -1 0 340.379 2.586 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c1 ZINC000179728604 1112671952 /nfs/dbraw/zinc/67/19/52/1112671952.db2.gz WVCQDSOMQVSEGJ-MRXNPFEDSA-N -1 0 325.299 2.535 20 30 EFEDRM CCc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o2)cc1 ZINC000181279000 1113055972 /nfs/dbraw/zinc/05/59/72/1113055972.db2.gz XMGNMFSZJHJTCH-UHFFFAOYSA-N -1 0 346.408 2.872 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622370 1117956119 /nfs/dbraw/zinc/95/61/19/1117956119.db2.gz RNJOKNBBSNWORV-QMMMGPOBSA-N -1 0 325.308 2.776 20 30 EFEDRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCCC1 ZINC000181965258 1118336385 /nfs/dbraw/zinc/33/63/85/1118336385.db2.gz KJDYFLLWVDCWDV-UHFFFAOYSA-N -1 0 348.468 2.947 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)s2)o1 ZINC000131052916 1118838743 /nfs/dbraw/zinc/83/87/43/1118838743.db2.gz QJRCSFPKAHTAJH-NSHDSACASA-N -1 0 331.397 2.867 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184565280 1119204763 /nfs/dbraw/zinc/20/47/63/1119204763.db2.gz RNHZINOWDUTFAD-SNVBAGLBSA-N -1 0 327.296 2.844 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc2[n-]c1=S ZINC000184924067 1119625194 /nfs/dbraw/zinc/62/51/94/1119625194.db2.gz HMPBQVDEFJHOHS-CYBMUJFWSA-N -1 0 345.424 2.800 20 30 EFEDRM C#C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000185374520 1120081487 /nfs/dbraw/zinc/08/14/87/1120081487.db2.gz OFQSAFAMJASLIS-CQSZACIVSA-N -1 0 342.420 2.547 20 30 EFEDRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000073087009 1120534738 /nfs/dbraw/zinc/53/47/38/1120534738.db2.gz SXBFAFHDCMBQHU-HNNXBMFYSA-N -1 0 336.413 2.941 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)c1 ZINC000073087432 1120535432 /nfs/dbraw/zinc/53/54/32/1120535432.db2.gz HVEMQDLIETZPIF-UHFFFAOYSA-N -1 0 326.333 2.998 20 30 EFEDRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000052557340 214133765 /nfs/dbraw/zinc/13/37/65/214133765.db2.gz PSTPFMRECMCYDQ-GFCCVEGCSA-N -1 0 337.383 2.991 20 30 EFEDRM O=C(COc1ccc2ccccc2c1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794174 214146107 /nfs/dbraw/zinc/14/61/07/214146107.db2.gz CZKZTIBNHSJGTG-UHFFFAOYSA-N -1 0 348.424 2.906 20 30 EFEDRM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000066584078 215055986 /nfs/dbraw/zinc/05/59/86/215055986.db2.gz MRWWQVCHTYGRLH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000103654967 219319189 /nfs/dbraw/zinc/31/91/89/219319189.db2.gz RUIRDBKNTQQSAF-LLVKDONJSA-N -1 0 331.372 2.796 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CC)OC)cc1OCC ZINC000068721674 215329043 /nfs/dbraw/zinc/32/90/43/215329043.db2.gz BXYMGURRPBQQDK-GFCCVEGCSA-N -1 0 345.417 2.554 20 30 EFEDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427797929 535444811 /nfs/dbraw/zinc/44/48/11/535444811.db2.gz MAMONJOCFAUJIU-UHFFFAOYSA-N -1 0 325.390 2.907 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC(CC(=O)[O-])CC2)c(OC)c1 ZINC000262374859 240349870 /nfs/dbraw/zinc/34/98/70/240349870.db2.gz BNNRFWURFWYBOB-UHFFFAOYSA-N -1 0 347.411 2.516 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)cc1 ZINC000262772382 240366834 /nfs/dbraw/zinc/36/68/34/240366834.db2.gz HNFGZALXJMXYAY-DNVCBOLYSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)cc1 ZINC000262772386 240367155 /nfs/dbraw/zinc/36/71/55/240367155.db2.gz HNFGZALXJMXYAY-HNAYVOBHSA-N -1 0 347.411 2.640 20 30 EFEDRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130400349 223149172 /nfs/dbraw/zinc/14/91/72/223149172.db2.gz GFKWAZVCFMNOHI-SECBINFHSA-N -1 0 347.300 2.989 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615592 238762650 /nfs/dbraw/zinc/76/26/50/238762650.db2.gz NRCMVOHNXXEVQX-UHFFFAOYSA-N -1 0 347.440 2.609 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCO2)c(C)c1 ZINC000069282757 238798953 /nfs/dbraw/zinc/79/89/53/238798953.db2.gz KSUYQQSNOVLBIE-ZIAGYGMSSA-N -1 0 341.429 2.533 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1Cl ZINC000158864352 239018125 /nfs/dbraw/zinc/01/81/25/239018125.db2.gz MLULXLQBQZHZRJ-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Br)c2)cc1 ZINC000158194956 239006481 /nfs/dbraw/zinc/00/64/81/239006481.db2.gz IXAIUPKEEVCVJP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000073353687 216380591 /nfs/dbraw/zinc/38/05/91/216380591.db2.gz PHGNJMKCLBMECL-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)nc3)sc2c1 ZINC000171146802 239139618 /nfs/dbraw/zinc/13/96/18/239139618.db2.gz UWVDTCJYESQZQP-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#C[C@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000176601139 239329624 /nfs/dbraw/zinc/32/96/24/239329624.db2.gz VCJWRVQVJPNZOF-VIFPVBQESA-N -1 0 328.488 2.881 20 30 EFEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ncccc3C#N)cc(Cl)c2O1 ZINC000191103742 239969447 /nfs/dbraw/zinc/96/94/47/239969447.db2.gz NBJYDMNRMQEONO-SECBINFHSA-N -1 0 349.799 2.731 20 30 EFEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000193623353 240116186 /nfs/dbraw/zinc/11/61/86/240116186.db2.gz NKKDDNOQTJNVHM-ZDUSSCGKSA-N -1 0 331.335 2.908 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000194758871 240177547 /nfs/dbraw/zinc/17/75/47/240177547.db2.gz BDGIVKYIARFWHF-UHFFFAOYSA-N -1 0 342.783 2.509 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000194801472 240180193 /nfs/dbraw/zinc/18/01/93/240180193.db2.gz JBRHRTNWHZGXJR-UHFFFAOYSA-N -1 0 340.792 2.738 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000237614165 240246256 /nfs/dbraw/zinc/24/62/56/240246256.db2.gz XEQOVMKLVYOZMM-VIFPVBQESA-N -1 0 331.290 2.721 20 30 EFEDRM C=CCOc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000238040192 240248072 /nfs/dbraw/zinc/24/80/72/240248072.db2.gz ZNKRXDRPUKPLRB-GOSISDBHSA-N -1 0 337.375 2.903 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCOC3)c2)c1 ZINC000238200232 240250413 /nfs/dbraw/zinc/25/04/13/240250413.db2.gz NWJUHKRSOCXEOV-QGZVFWFLSA-N -1 0 335.359 2.760 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000262860500 240372947 /nfs/dbraw/zinc/37/29/47/240372947.db2.gz ARKMBWAZCGFSOB-CJNGLKHVSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000262963865 240373776 /nfs/dbraw/zinc/37/37/76/240373776.db2.gz JLYULHLPGMOQHH-OAHLLOKOSA-N -1 0 347.436 2.996 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262960798 240373911 /nfs/dbraw/zinc/37/39/11/240373911.db2.gz RSVANJGWTNPZGB-LLVKDONJSA-N -1 0 331.290 2.620 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000193945692 240374313 /nfs/dbraw/zinc/37/43/13/240374313.db2.gz FJGYVTPGMVYAFO-LBPRGKRZSA-N -1 0 327.306 2.508 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000262938840 240374642 /nfs/dbraw/zinc/37/46/42/240374642.db2.gz HPEUYXVXCLYHKR-GFCCVEGCSA-N -1 0 337.372 2.734 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC000262940775 240374729 /nfs/dbraw/zinc/37/47/29/240374729.db2.gz PVSNJPRXGHZWAF-CQSZACIVSA-N -1 0 346.358 2.949 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(-c2nccs2)c1C)C(=O)[O-] ZINC000262982423 240375024 /nfs/dbraw/zinc/37/50/24/240375024.db2.gz ULDIQRJTUUQKJF-ZDUSSCGKSA-N -1 0 333.413 2.700 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CCC(=O)[O-] ZINC000262916649 240375276 /nfs/dbraw/zinc/37/52/76/240375276.db2.gz DJGCXTDOMLVGHI-UHFFFAOYSA-N -1 0 331.290 2.817 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262918110 240375645 /nfs/dbraw/zinc/37/56/45/240375645.db2.gz FYHUFSIVSVYFQY-MFKMUULPSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262961968 240375676 /nfs/dbraw/zinc/37/56/76/240375676.db2.gz RVUYMZLRYJNNOH-MFKMUULPSA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(Br)cc1OC)C(=O)[O-] ZINC000263039326 240377025 /nfs/dbraw/zinc/37/70/25/240377025.db2.gz ZNVZORZWZJEVEG-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC000263011599 240377721 /nfs/dbraw/zinc/37/77/21/240377721.db2.gz XGWWOWSKQISMDX-NSHDSACASA-N -1 0 346.246 2.979 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263032663 240377755 /nfs/dbraw/zinc/37/77/55/240377755.db2.gz PPJOEDKTGROZNN-GOSISDBHSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)C(=O)[O-] ZINC000263014547 240378187 /nfs/dbraw/zinc/37/81/87/240378187.db2.gz XONBFGPAQGEWHP-LBPRGKRZSA-N -1 0 331.372 2.804 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000263179356 240380139 /nfs/dbraw/zinc/38/01/39/240380139.db2.gz HCBLNZJHNROKNI-SFHVURJKSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263115880 240380409 /nfs/dbraw/zinc/38/04/09/240380409.db2.gz BZQRWGJGFSRMDN-UONOGXRCSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000263170433 240380761 /nfs/dbraw/zinc/38/07/61/240380761.db2.gz FWSJXBKWMGFYCE-IBGZPJMESA-N -1 0 347.411 2.516 20 30 EFEDRM C=CCOC[C@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263174668 240380868 /nfs/dbraw/zinc/38/08/68/240380868.db2.gz ZAHBFNFSXYEKCA-HNNXBMFYSA-N -1 0 337.441 2.674 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263355677 240382826 /nfs/dbraw/zinc/38/28/26/240382826.db2.gz QTGHTUGLQMRAPL-DZGCQCFKSA-N -1 0 332.400 2.504 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263399647 240382892 /nfs/dbraw/zinc/38/28/92/240382892.db2.gz RWAVVQKQPYQKLT-OFLPRAFFSA-N -1 0 328.412 2.564 20 30 EFEDRM C=CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000324091245 241203607 /nfs/dbraw/zinc/20/36/07/241203607.db2.gz JLCJROBKAZZJMO-INIZCTEOSA-N -1 0 325.364 2.677 20 30 EFEDRM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=Nc1cccn(C)c1=O ZINC000328899264 241265865 /nfs/dbraw/zinc/26/58/65/241265865.db2.gz YUCAXDRHDPJCBQ-LLVKDONJSA-N -1 0 333.413 2.681 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000263323774 304127227 /nfs/dbraw/zinc/12/72/27/304127227.db2.gz OCVSOTVLEVNSOV-QWHCGFSZSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000324580786 241206399 /nfs/dbraw/zinc/20/63/99/241206399.db2.gz XCHGHWHIBONBNV-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324752778 241206656 /nfs/dbraw/zinc/20/66/56/241206656.db2.gz UHIXVTKISMVQBR-KRWDZBQOSA-N -1 0 325.364 2.850 20 30 EFEDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000328659130 241213167 /nfs/dbraw/zinc/21/31/67/241213167.db2.gz SEAKEHAPJKYALG-NSHDSACASA-N -1 0 343.366 2.652 20 30 EFEDRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000328776622 241240511 /nfs/dbraw/zinc/24/05/11/241240511.db2.gz LDNJROUGQQSDND-ZCFIWIBFSA-N -1 0 328.825 2.788 20 30 EFEDRM Cc1n[n-]c(=NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)s1 ZINC000328990740 241281515 /nfs/dbraw/zinc/28/15/15/241281515.db2.gz SFNQAMOIHBZPGA-AAEUAGOBSA-N -1 0 336.392 2.511 20 30 EFEDRM CCCSc1nc(=NC(=O)N2CCOC3(CCC3)C2)s[n-]1 ZINC000329140317 241312089 /nfs/dbraw/zinc/31/20/89/241312089.db2.gz SXVORCQPQHXKLP-UHFFFAOYSA-N -1 0 328.463 2.841 20 30 EFEDRM [O-]C(=Nc1nc2ccsc2s1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329448106 241373617 /nfs/dbraw/zinc/37/36/17/241373617.db2.gz MIBMUTWLGNZLSN-MNOVXSKESA-N -1 0 339.442 2.783 20 30 EFEDRM Cn1cc(Br)cc(N=C([O-])N2CC[C@H]3CCC[C@@H]32)c1=O ZINC000330252181 241514978 /nfs/dbraw/zinc/51/49/78/241514978.db2.gz ODGLSKZITZSQRO-SKDRFNHKSA-N -1 0 340.221 2.568 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000332645340 241646883 /nfs/dbraw/zinc/64/68/83/241646883.db2.gz IPISVPGGVCXEGH-SGTLLEGYSA-N -1 0 342.374 2.919 20 30 EFEDRM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000337802357 241709099 /nfs/dbraw/zinc/70/90/99/241709099.db2.gz IJTWYTGJWCNFTP-BYPYZUCNSA-N -1 0 339.232 2.862 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000352190348 241921110 /nfs/dbraw/zinc/92/11/10/241921110.db2.gz CFMUGYXNZZWWMS-UHFFFAOYSA-N -1 0 331.393 2.685 20 30 EFEDRM Cc1cc(S(=O)(=O)NCC(C)(C)CCC#N)cc(C(=O)[O-])c1C ZINC000352179855 241918940 /nfs/dbraw/zinc/91/89/40/241918940.db2.gz CUTCTYIWMZHMLA-UHFFFAOYSA-N -1 0 338.429 2.610 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000352192139 241922174 /nfs/dbraw/zinc/92/21/74/241922174.db2.gz JWBLBRWTTFHAGC-UHFFFAOYSA-N -1 0 331.393 2.685 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000355865260 242049714 /nfs/dbraw/zinc/04/97/14/242049714.db2.gz ISVWDDNRDOSPTR-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(OC)c1 ZINC000355872500 242050585 /nfs/dbraw/zinc/05/05/85/242050585.db2.gz XWUKLYHFQYJFLO-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]c2ccccc2C#Cc2ccccc2)c1 ZINC000356496076 242073371 /nfs/dbraw/zinc/07/33/71/242073371.db2.gz HHUWIBVOQQUXFN-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCc3ccccc3NC2=O)s1 ZINC000358319231 242117602 /nfs/dbraw/zinc/11/76/02/242117602.db2.gz FRMRTYOHDSZENY-GFCCVEGCSA-N -1 0 332.454 2.604 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357138301 242088933 /nfs/dbraw/zinc/08/89/33/242088933.db2.gz WOUFPXOBYJFSPX-UHFFFAOYSA-N -1 0 347.392 2.679 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncnc3cc(F)c(F)cc32)s1 ZINC000359677649 242163091 /nfs/dbraw/zinc/16/30/91/242163091.db2.gz MQLUOVVSXQOGAE-UHFFFAOYSA-N -1 0 337.380 2.931 20 30 EFEDRM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1cnc2ccccc2n1 ZINC000361532862 242224223 /nfs/dbraw/zinc/22/42/23/242224223.db2.gz ZXNICDQMXYWSKA-LLVKDONJSA-N -1 0 330.303 2.967 20 30 EFEDRM COCCOc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361521002 242225116 /nfs/dbraw/zinc/22/51/16/242225116.db2.gz WZTLUTMVVNCGBQ-CQSZACIVSA-N -1 0 348.362 2.540 20 30 EFEDRM Cn1nnc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc21 ZINC000362115504 242243361 /nfs/dbraw/zinc/24/33/61/242243361.db2.gz DGOSSENQPSIEAA-NSHDSACASA-N -1 0 345.284 2.872 20 30 EFEDRM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1ccncn1 ZINC000362289896 242250378 /nfs/dbraw/zinc/25/03/78/242250378.db2.gz XPVMVEDTOOPPKW-VIFPVBQESA-N -1 0 325.278 2.635 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000410695714 242635098 /nfs/dbraw/zinc/63/50/98/242635098.db2.gz GFUUUCYKSILJJT-UHFFFAOYSA-N -1 0 348.328 2.996 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C(F)F ZINC000414369197 244109011 /nfs/dbraw/zinc/10/90/11/244109011.db2.gz DFKOOZHOHWHPBB-UHFFFAOYSA-N -1 0 340.355 2.647 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1C(F)F ZINC000414371135 244115571 /nfs/dbraw/zinc/11/55/71/244115571.db2.gz MLNOLSLWVMHUPZ-UHFFFAOYSA-N -1 0 340.355 2.533 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1C(F)F ZINC000414383054 244122445 /nfs/dbraw/zinc/12/24/45/244122445.db2.gz QMMAUJSZIHPMNX-UHFFFAOYSA-N -1 0 340.355 2.647 20 30 EFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000417786205 245094266 /nfs/dbraw/zinc/09/42/66/245094266.db2.gz FRRYCOVCYSQWGR-NSHDSACASA-N -1 0 333.388 2.920 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000262813340 245191773 /nfs/dbraw/zinc/19/17/73/245191773.db2.gz DOXACWILWZJZTL-LJQANCHMSA-N -1 0 347.411 2.833 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000263019464 245300217 /nfs/dbraw/zinc/30/02/17/245300217.db2.gz XYTYLBFUJURPRS-HNAYVOBHSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc(OC)c1OC ZINC000263036775 245306022 /nfs/dbraw/zinc/30/60/22/245306022.db2.gz VJGRLIDMFWLTHC-AWEZNQCLSA-N -1 0 333.384 2.512 20 30 EFEDRM O=C([O-])CCCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000263256874 245372776 /nfs/dbraw/zinc/37/27/76/245372776.db2.gz FRRQKTLFQJNIOF-UHFFFAOYSA-N -1 0 327.302 2.818 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000263287266 245382649 /nfs/dbraw/zinc/38/26/49/245382649.db2.gz PZDDKVMSSZDGDF-JSGCOSHPSA-N -1 0 335.400 2.938 20 30 EFEDRM C=CCOCCCC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263414749 245412005 /nfs/dbraw/zinc/41/20/05/245412005.db2.gz HOJNJOGSZMIUIW-UHFFFAOYSA-N -1 0 343.383 2.800 20 30 EFEDRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000078796535 217123400 /nfs/dbraw/zinc/12/34/00/217123400.db2.gz DPZKAGVHRKZACQ-LURJTMIESA-N -1 0 329.271 2.525 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000111561929 220165208 /nfs/dbraw/zinc/16/52/08/220165208.db2.gz SDSCKHZNXZGRIE-GHMZBOCLSA-N -1 0 345.284 2.914 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)nn1C(C)C ZINC000421183307 245896318 /nfs/dbraw/zinc/89/63/18/245896318.db2.gz NBGBLUOLHALOAZ-UHFFFAOYSA-N -1 0 340.355 2.723 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425300383 247032199 /nfs/dbraw/zinc/03/21/99/247032199.db2.gz LDKWUWRHPZRVFN-HUUCEWRRSA-N -1 0 327.384 2.841 20 30 EFEDRM N#CC[C@H](CC(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccccc1 ZINC000425319880 247041734 /nfs/dbraw/zinc/04/17/34/247041734.db2.gz KHBPNMIZPVGRAH-OAHLLOKOSA-N -1 0 340.383 2.569 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000425644782 247156419 /nfs/dbraw/zinc/15/64/19/247156419.db2.gz AONCECMDJUYTKS-UONOGXRCSA-N -1 0 341.440 2.673 20 30 EFEDRM Cc1oc(Br)cc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000425522804 247120467 /nfs/dbraw/zinc/12/04/67/247120467.db2.gz BOEMCDCZOXALNO-UHFFFAOYSA-N -1 0 337.177 2.674 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000425678398 247164585 /nfs/dbraw/zinc/16/45/85/247164585.db2.gz GOKDCTXMIVWRRM-CMPLNLGQSA-N -1 0 345.403 2.888 20 30 EFEDRM Cc1c(NS(=O)(=O)c2ccc(C#N)c(F)c2)cccc1C(=O)[O-] ZINC000427208691 247330189 /nfs/dbraw/zinc/33/01/89/247330189.db2.gz HVOLNKMIHLCALW-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc(C(=O)[O-])c1 ZINC000427305725 247336600 /nfs/dbraw/zinc/33/66/00/247336600.db2.gz WUQYHNJBKSTVGM-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1F ZINC000427352193 247340369 /nfs/dbraw/zinc/34/03/69/247340369.db2.gz MAPAHSGGCRNBIV-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C#N ZINC000427104357 247317483 /nfs/dbraw/zinc/31/74/83/247317483.db2.gz NOTKVSPPXLSFEF-UHFFFAOYSA-N -1 0 340.408 2.864 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1F ZINC000427129590 247319570 /nfs/dbraw/zinc/31/95/70/247319570.db2.gz YQUKJRNAVMAYEO-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3cc(C#N)ccc3C)noc2c1 ZINC000427799766 247395392 /nfs/dbraw/zinc/39/53/92/247395392.db2.gz RFEWXZKXGWLVFM-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)cc1C#N ZINC000427752091 247389900 /nfs/dbraw/zinc/38/99/00/247389900.db2.gz AAIDSFFRWUGWJV-SECBINFHSA-N -1 0 348.453 2.644 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1cc2ccc(Br)cn2n1 ZINC000427779520 247394114 /nfs/dbraw/zinc/39/41/14/247394114.db2.gz ONTZMPCBAYBQQQ-UHFFFAOYSA-N -1 0 344.234 2.805 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1F ZINC000427786990 247394598 /nfs/dbraw/zinc/39/45/98/247394598.db2.gz SQEZFDGPVJDXMF-UHFFFAOYSA-N -1 0 337.401 2.833 20 30 EFEDRM COC(=O)c1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1C1CC1 ZINC000430400193 247779484 /nfs/dbraw/zinc/77/94/84/247779484.db2.gz MXACJHLXAZIZRW-UHFFFAOYSA-N -1 0 343.364 2.637 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnnn2-c2cccc(F)c2)n1 ZINC000434616177 248169280 /nfs/dbraw/zinc/16/92/80/248169280.db2.gz OTXHCPPGUGEFIE-GFCCVEGCSA-N -1 0 327.344 2.661 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3cc(C)cc(F)c3)nn2)n1 ZINC000434613591 248169511 /nfs/dbraw/zinc/16/95/11/248169511.db2.gz CKMLKHFCGKYULB-ZDUSSCGKSA-N -1 0 341.371 2.970 20 30 EFEDRM CC(=Cc1cc(O)ccc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338391 248226586 /nfs/dbraw/zinc/22/65/86/248226586.db2.gz CKSCJOIGLFENAG-VMPITWQZSA-N -1 0 346.184 2.979 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1-c1ccccc1 ZINC000435486071 248245588 /nfs/dbraw/zinc/24/55/88/248245588.db2.gz DOFDSLGPJQBTCQ-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1C ZINC000435479624 248245907 /nfs/dbraw/zinc/24/59/07/248245907.db2.gz ZGAFUPDFLWPSKM-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)s1 ZINC000435476472 248245972 /nfs/dbraw/zinc/24/59/72/248245972.db2.gz GBAJWRNQLLYEHE-UHFFFAOYSA-N -1 0 326.374 2.769 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC(F)(F)F ZINC000266512226 248339206 /nfs/dbraw/zinc/33/92/06/248339206.db2.gz GWQZIEFPINJWLP-UHFFFAOYSA-N -1 0 329.322 2.667 20 30 EFEDRM C=Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000436479999 249521258 /nfs/dbraw/zinc/52/12/58/249521258.db2.gz YITJUBFWHPBJFZ-UHFFFAOYSA-N -1 0 330.413 2.954 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967230 249640489 /nfs/dbraw/zinc/64/04/89/249640489.db2.gz PVKDTZJBFGGVDR-UHFFFAOYSA-N -1 0 342.311 2.630 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1F ZINC000446759989 250528801 /nfs/dbraw/zinc/52/88/01/250528801.db2.gz RLEBRTSAPOVSNM-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000095424103 218366791 /nfs/dbraw/zinc/36/67/91/218366791.db2.gz ZFFQIEVXISAFPD-HNNXBMFYSA-N -1 0 331.412 2.613 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCC1=O ZINC000095461485 218402034 /nfs/dbraw/zinc/40/20/34/218402034.db2.gz HDDXQEPLUUSFPR-VHSXEESVSA-N -1 0 329.805 2.991 20 30 EFEDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2O1 ZINC000288129851 269679669 /nfs/dbraw/zinc/67/96/69/269679669.db2.gz DSCAAOWXYZSWEE-HNNXBMFYSA-N -1 0 334.353 2.849 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ncc1C(N)=O ZINC000453687412 252060329 /nfs/dbraw/zinc/06/03/29/252060329.db2.gz GJRPAFNPEOELGP-SNVBAGLBSA-N -1 0 328.397 2.559 20 30 EFEDRM CC#CCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1OC ZINC000097599537 219039136 /nfs/dbraw/zinc/03/91/36/219039136.db2.gz NAZNKHVYJDEOJM-UHFFFAOYSA-N -1 0 330.409 2.625 20 30 EFEDRM CC#CCN(C)C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000454732207 255580054 /nfs/dbraw/zinc/58/00/54/255580054.db2.gz IJYIFNTXUFTPAB-AWEZNQCLSA-N -1 0 328.441 2.989 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000263401380 141391057 /nfs/dbraw/zinc/39/10/57/141391057.db2.gz JASWQRCBXLVXGW-LJQANCHMSA-N -1 0 338.411 2.785 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000317519687 141489552 /nfs/dbraw/zinc/48/95/52/141489552.db2.gz XTSCQJSBZULOCD-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000341746606 141859610 /nfs/dbraw/zinc/85/96/10/141859610.db2.gz XTYZIEMVZIPWHE-RKNYENMMSA-N -1 0 342.420 2.552 20 30 EFEDRM Cc1nc(=NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[n-]n1C ZINC000344512852 142031247 /nfs/dbraw/zinc/03/12/47/142031247.db2.gz KMKJJIURYQOFCA-UHFFFAOYSA-N -1 0 347.378 2.770 20 30 EFEDRM C[C@@](CC(=O)NCCc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC000344557034 142039639 /nfs/dbraw/zinc/03/96/39/142039639.db2.gz UYKVTFIBOGXLJO-FQEVSTJZSA-N -1 0 336.391 2.650 20 30 EFEDRM N#Cc1ccc(OCc2cccc(C(=O)N=c3cccn[n-]3)c2)cc1 ZINC000346064979 142141971 /nfs/dbraw/zinc/14/19/71/142141971.db2.gz RBHUHXOLONQGLB-UHFFFAOYSA-N -1 0 330.347 2.601 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1C#N ZINC000346104710 142147772 /nfs/dbraw/zinc/14/77/72/142147772.db2.gz MFUUUPLQFXGBGO-UHFFFAOYSA-N -1 0 326.381 2.636 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1C#N ZINC000346123352 142150009 /nfs/dbraw/zinc/15/00/09/142150009.db2.gz AHGIIARSBVZFGV-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM COCc1nc(=NC(=O)c2sc3ccc(C#N)cc3c2C)s[n-]1 ZINC000346475648 142209677 /nfs/dbraw/zinc/20/96/77/142209677.db2.gz DOUXHOGLMAUAEZ-UHFFFAOYSA-N -1 0 344.421 2.754 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)c(F)c1 ZINC000347875674 142285619 /nfs/dbraw/zinc/28/56/19/142285619.db2.gz GASRWHIXMDVDDZ-UHFFFAOYSA-N -1 0 326.306 2.844 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)o1 ZINC000340951663 144960002 /nfs/dbraw/zinc/96/00/02/144960002.db2.gz JZNRKRDRHQVFRM-UHFFFAOYSA-N -1 0 346.286 2.735 20 30 EFEDRM CCC[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nnn[n-]1 ZINC000342347970 145106227 /nfs/dbraw/zinc/10/62/27/145106227.db2.gz RSQOOQMEKKXRBO-GFCCVEGCSA-N -1 0 340.412 2.866 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1[N+](=O)[O-] ZINC000342388621 145114428 /nfs/dbraw/zinc/11/44/28/145114428.db2.gz SGXMVXQNBUOLSO-UHFFFAOYSA-N -1 0 337.382 2.946 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)o1 ZINC000342439772 145126908 /nfs/dbraw/zinc/12/69/08/145126908.db2.gz BDDMHASSPJJJDZ-UHFFFAOYSA-N -1 0 339.376 2.938 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)o1 ZINC000342463152 145131745 /nfs/dbraw/zinc/13/17/45/145131745.db2.gz DNWPVYVTWWPMFU-UHFFFAOYSA-N -1 0 345.405 2.999 20 30 EFEDRM N#Cc1cccc(F)c1CC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000342493483 145137764 /nfs/dbraw/zinc/13/77/64/145137764.db2.gz QQQWJYOAWQQZCS-UHFFFAOYSA-N -1 0 332.338 2.757 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)C2Cc3ccccc3C2)cc1C#N ZINC000350937613 146101987 /nfs/dbraw/zinc/10/19/87/146101987.db2.gz HKQCQJOZRRWPBI-UHFFFAOYSA-N -1 0 339.420 2.620 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000350971531 146103643 /nfs/dbraw/zinc/10/36/43/146103643.db2.gz MTPNCXCGANYJIS-UHFFFAOYSA-N -1 0 338.392 2.949 20 30 EFEDRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000351252318 146118635 /nfs/dbraw/zinc/11/86/35/146118635.db2.gz MRSRCHFDEPNXCA-NSHDSACASA-N -1 0 330.351 2.519 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000351350460 146122731 /nfs/dbraw/zinc/12/27/31/146122731.db2.gz KWSCCTFIDMHXJQ-UHFFFAOYSA-N -1 0 332.410 2.790 20 30 EFEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000351753379 146194915 /nfs/dbraw/zinc/19/49/15/146194915.db2.gz FJWPADDZEVYGEO-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc(-c3ccc4c(c3)OCO4)o2)c(F)c1 ZINC000351764179 146197938 /nfs/dbraw/zinc/19/79/38/146197938.db2.gz NWZRMRPHGBVARB-UHFFFAOYSA-N -1 0 338.298 2.510 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000352901677 146345086 /nfs/dbraw/zinc/34/50/86/146345086.db2.gz PVLDCKYETJERGS-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)c(F)c1 ZINC000352976282 146364460 /nfs/dbraw/zinc/36/44/60/146364460.db2.gz GZZMPBQXRMQTJL-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000353035318 146382389 /nfs/dbraw/zinc/38/23/89/146382389.db2.gz PUEGVSVQNVQGCK-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000355640709 147021108 /nfs/dbraw/zinc/02/11/08/147021108.db2.gz DYEYQPYUVOVPBW-UHFFFAOYSA-N -1 0 347.378 2.640 20 30 EFEDRM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000355810328 147071530 /nfs/dbraw/zinc/07/15/30/147071530.db2.gz KWNVIPUBRIYXHE-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1O ZINC000355819464 147074250 /nfs/dbraw/zinc/07/42/50/147074250.db2.gz NPWAGIPKJYUZRV-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000356027558 147127450 /nfs/dbraw/zinc/12/74/50/147127450.db2.gz WVHAGWJNBNHNJY-UHFFFAOYSA-N -1 0 333.351 2.620 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000356359691 147223952 /nfs/dbraw/zinc/22/39/52/147223952.db2.gz LIMSLKIWCDVAMV-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000356474757 147254269 /nfs/dbraw/zinc/25/42/69/147254269.db2.gz HBFCDGNFHMNTQS-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000356495454 147260533 /nfs/dbraw/zinc/26/05/33/147260533.db2.gz FRJRLNRHQMGLIF-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM COc1cc(CNC(=O)CC2(CC(=O)[O-])CCCC2)ccc1C#N ZINC000356963181 147385660 /nfs/dbraw/zinc/38/56/60/147385660.db2.gz LOBSBCMQWXWXRP-UHFFFAOYSA-N -1 0 330.384 2.608 20 30 EFEDRM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)c1C ZINC000359480012 148096842 /nfs/dbraw/zinc/09/68/42/148096842.db2.gz KKLIWOVDUQFMDM-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(F)cc1Br ZINC000359712053 148168125 /nfs/dbraw/zinc/16/81/25/148168125.db2.gz BGMHTNNTXFYNKM-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Br)ccc1F ZINC000359715927 148169854 /nfs/dbraw/zinc/16/98/54/148169854.db2.gz KBDYLKVXUQGJTM-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)ccc1Cl ZINC000359723799 148171830 /nfs/dbraw/zinc/17/18/30/148171830.db2.gz JWXGHULQTQYELB-SNVBAGLBSA-N -1 0 344.802 2.949 20 30 EFEDRM Cc1nc(-c2ccco2)ccc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359721809 148171909 /nfs/dbraw/zinc/17/19/09/148171909.db2.gz YYKSWSFPSIAUAV-UHFFFAOYSA-N -1 0 333.351 2.796 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000359721497 148172009 /nfs/dbraw/zinc/17/20/09/148172009.db2.gz XZHDBCKVPVJHOI-UHFFFAOYSA-N -1 0 337.314 2.627 20 30 EFEDRM COc1ccc2nc(C)cc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c2c1 ZINC000359728542 148173557 /nfs/dbraw/zinc/17/35/57/148173557.db2.gz XNTCIUBXVXQJIX-UHFFFAOYSA-N -1 0 347.378 2.698 20 30 EFEDRM Cc1onc(-c2ccccc2)c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359727858 148173866 /nfs/dbraw/zinc/17/38/66/148173866.db2.gz USPWYNHJQQTJCK-UHFFFAOYSA-N -1 0 333.351 2.796 20 30 EFEDRM N#Cc1cc(F)c(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c(F)c1 ZINC000362625731 148858328 /nfs/dbraw/zinc/85/83/28/148858328.db2.gz CILUAYMNIKKHNQ-UHFFFAOYSA-N -1 0 344.296 2.983 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2F)n[nH]c1C1CC1 ZINC000362657119 148864507 /nfs/dbraw/zinc/86/45/07/148864507.db2.gz NFKFUNCUICETHC-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1Cl ZINC000365022986 149299750 /nfs/dbraw/zinc/29/97/50/149299750.db2.gz YNHUVMRTYIAAMC-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM Cc1nc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)ccc1C#N ZINC000365168307 149334650 /nfs/dbraw/zinc/33/46/50/149334650.db2.gz LGIOKAYKCWBFQW-UHFFFAOYSA-N -1 0 327.394 2.516 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000368098505 150035200 /nfs/dbraw/zinc/03/52/00/150035200.db2.gz ODAMIWAOGNPQQW-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)s1 ZINC000369177965 150293058 /nfs/dbraw/zinc/29/30/58/150293058.db2.gz IHPINBIAWNTJPW-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)c1 ZINC000374366793 151332327 /nfs/dbraw/zinc/33/23/27/151332327.db2.gz OXEAYKDFPKNOMM-KRWDZBQOSA-N -1 0 326.327 2.617 20 30 EFEDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408431359 152190307 /nfs/dbraw/zinc/19/03/07/152190307.db2.gz GCBPZPOYAKGYON-JTQLQIEISA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000366939958 164702659 /nfs/dbraw/zinc/70/26/59/164702659.db2.gz BXGZROKPFZRWGD-YJBOKZPZSA-N -1 0 344.436 2.505 20 30 EFEDRM CCc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000123182372 222230089 /nfs/dbraw/zinc/23/00/89/222230089.db2.gz QKVPHAZFTXPGMH-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(F)c1 ZINC000124176986 222387546 /nfs/dbraw/zinc/38/75/46/222387546.db2.gz RWPOBDUFAMZPKO-CYBMUJFWSA-N -1 0 338.335 2.785 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000181431286 544933713 /nfs/dbraw/zinc/93/37/13/544933713.db2.gz OASJFSVFYNLXOL-GFCCVEGCSA-N -1 0 327.413 2.611 20 30 EFEDRM COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C ZINC000048599256 263997996 /nfs/dbraw/zinc/99/79/96/263997996.db2.gz BQFGFFKQLKACPX-UHFFFAOYSA-N -1 0 330.365 2.569 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c1 ZINC000290487587 270024356 /nfs/dbraw/zinc/02/43/56/270024356.db2.gz IVTXCFBSAWLOCH-UHFFFAOYSA-N -1 0 347.371 2.824 20 30 EFEDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290513428 270024416 /nfs/dbraw/zinc/02/44/16/270024416.db2.gz LZWZPJZAFKGKLW-UHFFFAOYSA-N -1 0 330.413 2.964 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000179161057 264919604 /nfs/dbraw/zinc/91/96/04/264919604.db2.gz AKQCOPGSKXNIHX-UHFFFAOYSA-N -1 0 334.401 2.535 20 30 EFEDRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000299662989 270025660 /nfs/dbraw/zinc/02/56/60/270025660.db2.gz ZZNWQEJWBLETAC-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM Cc1cc(Br)oc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000331054351 270026681 /nfs/dbraw/zinc/02/66/81/270026681.db2.gz JXUGNUXULCNYMW-UHFFFAOYSA-N -1 0 337.177 2.674 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc3cc(Br)ccc3o2)c1C#N ZINC000431674707 270028036 /nfs/dbraw/zinc/02/80/36/270028036.db2.gz UHGCUZUTZYNQHD-UHFFFAOYSA-N -1 0 345.156 2.773 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000492621857 270032665 /nfs/dbraw/zinc/03/26/65/270032665.db2.gz WHMHEYGLTHCBBY-MDZDMXLPSA-N -1 0 340.404 2.526 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)nc1 ZINC000525227005 270034803 /nfs/dbraw/zinc/03/48/03/270034803.db2.gz JUSYYAPKBZJXAB-UHFFFAOYSA-N -1 0 347.399 2.747 20 30 EFEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C(=O)NC(C)C ZINC000188586566 265141363 /nfs/dbraw/zinc/14/13/63/265141363.db2.gz FFXAWOXMLLBPFJ-UHFFFAOYSA-N -1 0 337.379 2.963 20 30 EFEDRM COc1ccc(Cn2ccc(NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1 ZINC000188830993 265156265 /nfs/dbraw/zinc/15/62/65/265156265.db2.gz IBSYGOWWYCEFLY-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM CCN(CC)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290892763 266121047 /nfs/dbraw/zinc/12/10/47/266121047.db2.gz DAYVUBIQRWCPCN-UHFFFAOYSA-N -1 0 330.413 2.600 20 30 EFEDRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000282318102 266744013 /nfs/dbraw/zinc/74/40/13/266744013.db2.gz ZDFRSBXLELFIDK-LBPRGKRZSA-N -1 0 347.396 2.522 20 30 EFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000277290539 267148103 /nfs/dbraw/zinc/14/81/03/267148103.db2.gz URYCHRTYJFNRIM-UHFFFAOYSA-N -1 0 333.697 2.607 20 30 EFEDRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000451070149 267176466 /nfs/dbraw/zinc/17/64/66/267176466.db2.gz HQLPOSVYIYPPNM-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CN1CCCN(C(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc21 ZINC000525951540 267333978 /nfs/dbraw/zinc/33/39/78/267333978.db2.gz JEKXRHRRWYVVEJ-UHFFFAOYSA-N -1 0 325.343 2.890 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1C#N ZINC000324213734 267360249 /nfs/dbraw/zinc/36/02/49/267360249.db2.gz AJICHOMWWGCJMI-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C(=O)[O-] ZINC000427212244 268011870 /nfs/dbraw/zinc/01/18/70/268011870.db2.gz KBCAVUJWGXWRTF-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1C(=O)[O-] ZINC000427247522 268040863 /nfs/dbraw/zinc/04/08/63/268040863.db2.gz AWUMTFGEUZGYAJ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000491122351 268061135 /nfs/dbraw/zinc/06/11/35/268061135.db2.gz XGURCOLIORDJPH-ZHACJKMWSA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc12 ZINC000438780731 268100162 /nfs/dbraw/zinc/10/01/62/268100162.db2.gz SGSSULRTLJXYRU-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000330681022 268201383 /nfs/dbraw/zinc/20/13/83/268201383.db2.gz ZHLHOVYJBSELMJ-ONGXEEELSA-N -1 0 336.335 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000330681019 268202277 /nfs/dbraw/zinc/20/22/77/268202277.db2.gz ZHLHOVYJBSELMJ-GXSJLCMTSA-N -1 0 336.335 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000288552641 268207424 /nfs/dbraw/zinc/20/74/24/268207424.db2.gz JBIBRGAYAOXQCE-UHFFFAOYSA-N -1 0 345.424 2.938 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)o1 ZINC000288137178 268208144 /nfs/dbraw/zinc/20/81/44/268208144.db2.gz BFJUWHFFCBGCJS-UHFFFAOYSA-N -1 0 336.344 2.880 20 30 EFEDRM N#Cc1cccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000491972176 268267361 /nfs/dbraw/zinc/26/73/61/268267361.db2.gz KLTLHXYWHMXHPY-RUDMXATFSA-N -1 0 332.319 2.553 20 30 EFEDRM N#Cc1ncccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000428397217 268325987 /nfs/dbraw/zinc/32/59/87/268325987.db2.gz BOOZNSRDVHTFDT-CYBMUJFWSA-N -1 0 347.362 2.743 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1Cl ZINC000277069929 273145771 /nfs/dbraw/zinc/14/57/71/273145771.db2.gz QJYMKIDEAQZMLX-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nccc(N(CC)C2CCCC2)n1 ZINC000414454303 277830075 /nfs/dbraw/zinc/83/00/75/277830075.db2.gz AQWJFZKGWWPIRU-UHFFFAOYSA-N -1 0 338.477 2.953 20 30 EFEDRM CC1(C)CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[C@@H]1C#N ZINC000277630241 278214046 /nfs/dbraw/zinc/21/40/46/278214046.db2.gz ZXYHEWBNVQVJBP-CYBMUJFWSA-N -1 0 342.424 2.778 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000365614531 288610639 /nfs/dbraw/zinc/61/06/39/288610639.db2.gz NNNUWUOTDGSCCL-ZIAGYGMSSA-N -1 0 341.440 2.826 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000077966184 292771314 /nfs/dbraw/zinc/77/13/14/292771314.db2.gz XJGJVVGYWAPLSP-UHFFFAOYSA-N -1 0 347.465 2.815 20 30 EFEDRM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125918001 293020670 /nfs/dbraw/zinc/02/06/70/293020670.db2.gz OGKNTKGVNGVRDB-OLZOCXBDSA-N -1 0 346.424 2.789 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000127804728 293081213 /nfs/dbraw/zinc/08/12/13/293081213.db2.gz HTLWWFJJWNUHQG-SNVBAGLBSA-N -1 0 327.296 2.578 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000132070175 293217312 /nfs/dbraw/zinc/21/73/12/293217312.db2.gz JWEDCMRGJZHQTI-UHFFFAOYSA-N -1 0 347.444 2.958 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1C#N ZINC000132206974 293221620 /nfs/dbraw/zinc/22/16/20/293221620.db2.gz BNWUKAIRLYRIHU-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM CCc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000152969660 293355191 /nfs/dbraw/zinc/35/51/91/293355191.db2.gz WJZKZANEOBJYFS-UHFFFAOYSA-N -1 0 344.392 2.644 20 30 EFEDRM Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000255779211 293885226 /nfs/dbraw/zinc/88/52/26/293885226.db2.gz ZNQYFJHNWMHNJV-KTKRTIGZSA-N -1 0 340.404 2.526 20 30 EFEDRM C[C@@H]1C[C@@H](C)CN(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)C1 ZINC000178937039 297224233 /nfs/dbraw/zinc/22/42/33/297224233.db2.gz OIHWLLHQVGKOTC-ZIAGYGMSSA-N -1 0 346.475 2.847 20 30 EFEDRM C[C@@H]1C[C@H](C)Cc2sc(NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)c(C#N)c21 ZINC000414088637 297364320 /nfs/dbraw/zinc/36/43/20/297364320.db2.gz JHOIFKVITMLJCP-QCMRWSPLSA-N -1 0 348.424 2.876 20 30 EFEDRM Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000262602000 301335084 /nfs/dbraw/zinc/33/50/84/301335084.db2.gz ZAHWSNXVEXJAOB-CYBMUJFWSA-N -1 0 334.379 2.969 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2=O)cc1 ZINC000073766732 301475494 /nfs/dbraw/zinc/47/54/94/301475494.db2.gz FPGQUITZKMTZSF-LIRRHRJNSA-N -1 0 338.411 2.676 20 30 EFEDRM N#C[C@@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCC[C@@]12CCCCO2 ZINC000365100721 303164530 /nfs/dbraw/zinc/16/45/30/303164530.db2.gz PWSBOXACIMHMEE-GUYCJALGSA-N -1 0 344.440 2.824 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000359724598 303174436 /nfs/dbraw/zinc/17/44/36/303174436.db2.gz MDKGQIQTVZVSNC-UHFFFAOYSA-N -1 0 326.322 2.888 20 30 EFEDRM N#Cc1cc2c(nc1N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)CCCC2 ZINC000263562548 303187054 /nfs/dbraw/zinc/18/70/54/303187054.db2.gz SSTPDYCYDLDZSJ-VXGBXAGGSA-N -1 0 339.317 2.531 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263567046 303189919 /nfs/dbraw/zinc/18/99/19/303189919.db2.gz XBPIZRKIIMQMEH-IINYFYTJSA-N -1 0 325.290 2.663 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC000358638935 303199702 /nfs/dbraw/zinc/19/97/02/303199702.db2.gz YGXHGKSAEIPFED-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000323987029 311240789 /nfs/dbraw/zinc/24/07/89/311240789.db2.gz AHZFFOGFXXMABM-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC000326171274 311243623 /nfs/dbraw/zinc/24/36/23/311243623.db2.gz KBWZODSZGQPRGE-UHFFFAOYSA-N -1 0 344.392 2.960 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000328286711 311245659 /nfs/dbraw/zinc/24/56/59/311245659.db2.gz ICPVEFGBAUJHPK-LJQANCHMSA-N -1 0 338.363 2.938 20 30 EFEDRM O=C(/C=C/c1ccc(SC(F)F)cc1)N[C@@H]1CCCN(O)C1=O ZINC000493188575 314270438 /nfs/dbraw/zinc/27/04/38/314270438.db2.gz KTVVPAJWIMCFLH-FZKGZDJFSA-N -1 0 342.367 2.511 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1Cl ZINC000548288456 318090587 /nfs/dbraw/zinc/09/05/87/318090587.db2.gz PMSHUNRFGMPIFN-UHFFFAOYSA-N -1 0 326.665 2.695 20 30 EFEDRM CC(C)(C)CC[C@](C)(NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000551588365 318210676 /nfs/dbraw/zinc/21/06/76/318210676.db2.gz SXHYOVIFFPNONK-INIZCTEOSA-N -1 0 338.429 2.506 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCSC[C@H]2C2CCC2)cc1C#N ZINC000567453424 319172543 /nfs/dbraw/zinc/17/25/43/319172543.db2.gz FXQOAJSPANVPPY-ZDUSSCGKSA-N -1 0 349.481 2.738 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c2ncccc12 ZINC000568673860 319307876 /nfs/dbraw/zinc/30/78/76/319307876.db2.gz YJJOHLXGPMAQDR-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000574453319 319864012 /nfs/dbraw/zinc/86/40/12/319864012.db2.gz NOSRJZMPDAQFSP-WFASDCNBSA-N -1 0 345.399 2.920 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2sc(CC)cc2C#N)cn1 ZINC000578586961 320218132 /nfs/dbraw/zinc/21/81/32/320218132.db2.gz BBJDBNPVHYKVAA-UHFFFAOYSA-N -1 0 337.426 2.777 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C#N ZINC000181144835 323228730 /nfs/dbraw/zinc/22/87/30/323228730.db2.gz VFOZOCDBPDGRKI-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000181795880 323250767 /nfs/dbraw/zinc/25/07/67/323250767.db2.gz MVZNWVCGCOPEOZ-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000181790637 323251026 /nfs/dbraw/zinc/25/10/26/323251026.db2.gz NBFBUBZEWHYTOD-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)cn1 ZINC000182019616 323259341 /nfs/dbraw/zinc/25/93/41/323259341.db2.gz XHASADFCIBFPRR-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000193619132 323492175 /nfs/dbraw/zinc/49/21/75/323492175.db2.gz GZBBMKYVINXCOQ-UHFFFAOYSA-N -1 0 339.380 2.520 20 30 EFEDRM C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C(=O)[O-] ZINC000578867552 323829480 /nfs/dbraw/zinc/82/94/80/323829480.db2.gz SVJWETSTDCPPTR-HZMBPMFUSA-N -1 0 340.339 2.562 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Cc2cnc3ccccc3n2)[n-]1 ZINC000581237109 324333469 /nfs/dbraw/zinc/33/34/69/324333469.db2.gz VQOJGFTXIKVTBO-CYBMUJFWSA-N -1 0 348.410 2.518 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)cc1C#N ZINC000583755396 324866251 /nfs/dbraw/zinc/86/62/51/324866251.db2.gz OSGMHVWELDIWQW-DZGCQCFKSA-N -1 0 339.420 2.975 20 30 EFEDRM N#CCCn1ccc(NC(=O)c2cccc(Br)c2[O-])n1 ZINC000609806576 450098987 /nfs/dbraw/zinc/09/89/87/450098987.db2.gz VRUNHAZQABIRSV-UHFFFAOYSA-N -1 0 335.161 2.517 20 30 EFEDRM Cc1cc(NC(=O)c2cccc(Br)c2[O-])nn1CCC#N ZINC000535784968 468330872 /nfs/dbraw/zinc/33/08/72/468330872.db2.gz IXJLVRCPGVUKOZ-UHFFFAOYSA-N -1 0 349.188 2.826 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(C)cc1 ZINC000042324541 472129196 /nfs/dbraw/zinc/12/91/96/472129196.db2.gz MTRVNLQPBVLCQK-MDZDMXLPSA-N -1 0 333.413 2.704 20 30 EFEDRM N#CC(=C([O-])c1nc(N2CCCC2)ncc1Cl)c1ccccn1 ZINC000049457390 472950491 /nfs/dbraw/zinc/95/04/91/472950491.db2.gz BLNFLHRGMGEWFO-NSHDSACASA-N -1 0 327.775 2.615 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137660951 473209312 /nfs/dbraw/zinc/20/93/12/473209312.db2.gz QUCQQCNKVGLZNN-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#CCCn1ccc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000161560683 473243992 /nfs/dbraw/zinc/24/39/92/473243992.db2.gz YWSZWSSMPFDSEQ-UHFFFAOYSA-N -1 0 335.161 2.517 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1 ZINC000161674130 473252458 /nfs/dbraw/zinc/25/24/58/473252458.db2.gz OPFKJTLRHBGZAB-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)n[nH]1 ZINC000184867734 473258750 /nfs/dbraw/zinc/25/87/50/473258750.db2.gz YPYYTKYBVCEGRR-NSHDSACASA-N -1 0 348.428 2.994 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000124598021 473271174 /nfs/dbraw/zinc/27/11/74/473271174.db2.gz BPXDIDIPYNJPEQ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000610725074 469052121 /nfs/dbraw/zinc/05/21/21/469052121.db2.gz CUEXKSWKQZDCOV-UHFFFAOYSA-N -1 0 349.315 2.714 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000611497818 469264022 /nfs/dbraw/zinc/26/40/22/469264022.db2.gz UWOLAVLVVBFTMK-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 ZINC000618602803 469401095 /nfs/dbraw/zinc/40/10/95/469401095.db2.gz NLCIVEBMNFMULP-UHFFFAOYSA-N -1 0 331.781 2.749 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000177300388 473351235 /nfs/dbraw/zinc/35/12/35/473351235.db2.gz LTQRYUWALVQCPS-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000177300123 473351562 /nfs/dbraw/zinc/35/15/62/473351562.db2.gz IUNKHNWQUCGDHH-UHFFFAOYSA-N -1 0 348.428 2.709 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1Cl ZINC000618975745 469484540 /nfs/dbraw/zinc/48/45/40/469484540.db2.gz VCRSEDMEDAKAEK-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000083955630 473377663 /nfs/dbraw/zinc/37/76/63/473377663.db2.gz SXWGEFRNWXEWAY-UHFFFAOYSA-N -1 0 336.442 2.862 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OC(C)(C)C3)C(=O)O1 ZINC000150942674 473383397 /nfs/dbraw/zinc/38/33/97/473383397.db2.gz MGJHMLJVAYHXKH-KXPUMZMLSA-N -1 0 326.348 2.628 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc3c2OC(C)(C)C3)C(=O)O1 ZINC000150942639 473383570 /nfs/dbraw/zinc/38/35/70/473383570.db2.gz MGJHMLJVAYHXKH-WAVCKPEOSA-N -1 0 326.348 2.628 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(C)c1 ZINC000177499624 473390636 /nfs/dbraw/zinc/39/06/36/473390636.db2.gz FKWMCBQVXQNBDC-UHFFFAOYSA-N -1 0 348.428 2.844 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000619780931 479883888 /nfs/dbraw/zinc/88/38/88/479883888.db2.gz KUXUOYXDYPIAAA-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM CCCc1c([N-]S(=O)(=O)[C@H](C#N)CC)cnn1-c1cc(C)ccn1 ZINC000416960062 477387886 /nfs/dbraw/zinc/38/78/86/477387886.db2.gz QRRKEYUJJXEOEE-ZDUSSCGKSA-N -1 0 347.444 2.572 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC#N ZINC000012631228 471787146 /nfs/dbraw/zinc/78/71/46/471787146.db2.gz XVVYGAORRWHECM-UHFFFAOYSA-N -1 0 348.355 2.615 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000013179775 471820574 /nfs/dbraw/zinc/82/05/74/471820574.db2.gz NDKOCYSXVJBVQQ-KRWDZBQOSA-N -1 0 338.363 2.578 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000014097420 471852601 /nfs/dbraw/zinc/85/26/01/471852601.db2.gz HXKIJUGRFHXZPD-UHFFFAOYSA-N -1 0 341.392 2.708 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2[n-]c1=S ZINC000024579055 472060258 /nfs/dbraw/zinc/06/02/58/472060258.db2.gz IUDZCNHZDTZEIB-GFCCVEGCSA-N -1 0 343.452 2.886 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nnc2n1CCCCC2 ZINC000041505634 472066354 /nfs/dbraw/zinc/06/63/54/472066354.db2.gz JFJWEPAKTXSSLU-HNNXBMFYSA-N -1 0 346.394 2.680 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nnc2n1CCCCC2 ZINC000041505630 472066670 /nfs/dbraw/zinc/06/66/70/472066670.db2.gz JFJWEPAKTXSSLU-OAHLLOKOSA-N -1 0 346.394 2.680 20 30 EFEDRM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2o1 ZINC000041544335 472068510 /nfs/dbraw/zinc/06/85/10/472068510.db2.gz HSHQCDXMLXFWCO-NSHDSACASA-N -1 0 333.303 2.649 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)nc(C)n1 ZINC000041559892 472069372 /nfs/dbraw/zinc/06/93/72/472069372.db2.gz IIRUIOLAGRQAIG-HNNXBMFYSA-N -1 0 335.342 2.908 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000613324527 479965060 /nfs/dbraw/zinc/96/50/60/479965060.db2.gz PDNCOQMXGPGCTH-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1-n1cccc1 ZINC000054733977 472113233 /nfs/dbraw/zinc/11/32/33/472113233.db2.gz UNDJTEFMXBMWPX-GFCCVEGCSA-N -1 0 331.335 2.842 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2 ZINC000042290058 472127024 /nfs/dbraw/zinc/12/70/24/472127024.db2.gz SRSUPGGKIJDZLO-UHFFFAOYSA-N -1 0 334.397 2.864 20 30 EFEDRM O=C(CCc1nc(-c2ccco2)no1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026251787 472129624 /nfs/dbraw/zinc/12/96/24/472129624.db2.gz JBCQCOZCUSTCMH-UHFFFAOYSA-N -1 0 342.237 2.687 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)[n-]c1C#N ZINC000026268633 472130940 /nfs/dbraw/zinc/13/09/40/472130940.db2.gz OKWXYEBSFDULGD-UHFFFAOYSA-N -1 0 337.342 2.805 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000068077280 472131456 /nfs/dbraw/zinc/13/14/56/472131456.db2.gz PPFCWULGLLGLFR-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000068077289 472131482 /nfs/dbraw/zinc/13/14/82/472131482.db2.gz QJKOAMNOLAMRGC-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3sccc3C2)cc1C#N ZINC000027610546 472187298 /nfs/dbraw/zinc/18/72/98/472187298.db2.gz WWCPKFBEITYZCY-UHFFFAOYSA-N -1 0 331.422 2.641 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(C)cc2)cc1C#N ZINC000027607067 472187329 /nfs/dbraw/zinc/18/73/29/472187329.db2.gz CXIJFRFNOKHVFD-UHFFFAOYSA-N -1 0 327.409 2.961 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)c2cccnc2)cc1C#N ZINC000068443963 472193193 /nfs/dbraw/zinc/19/31/93/472193193.db2.gz NHGIHJBTKNJURF-SNVBAGLBSA-N -1 0 328.397 2.609 20 30 EFEDRM CCc1ncncc1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000075799093 472197483 /nfs/dbraw/zinc/19/74/83/472197483.db2.gz MUDBPZYRIOTATM-UHFFFAOYSA-N -1 0 347.440 2.966 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)C=Cc2cc3ccccc3o2)cn1 ZINC000075799790 472198024 /nfs/dbraw/zinc/19/80/24/472198024.db2.gz CQMVMNQMSXLIPF-SREVYHEPSA-N -1 0 331.353 2.525 20 30 EFEDRM COCCOCc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055632676 472214352 /nfs/dbraw/zinc/21/43/52/472214352.db2.gz GWDKNTRAEXVXEY-UHFFFAOYSA-N -1 0 346.408 2.522 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)ccc1C(=O)[O-] ZINC000076019389 472242463 /nfs/dbraw/zinc/24/24/63/472242463.db2.gz ZLKHBXFIEBFLRC-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(C)o1 ZINC000076311077 472318604 /nfs/dbraw/zinc/31/86/04/472318604.db2.gz WQFLCSOBVULSFR-AWEZNQCLSA-N -1 0 348.366 2.897 20 30 EFEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000088546107 472372280 /nfs/dbraw/zinc/37/22/80/472372280.db2.gz UPEFRAMWMRGQQR-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000069677650 472396184 /nfs/dbraw/zinc/39/61/84/472396184.db2.gz CIRRRWXHQFIHSG-UHFFFAOYSA-N -1 0 335.360 2.704 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)c(-c2ccccc2)n1 ZINC000089241473 472397865 /nfs/dbraw/zinc/39/78/65/472397865.db2.gz ACLDLJLLIHEMGD-UHFFFAOYSA-N -1 0 347.421 2.842 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1Br ZINC000089285815 472405948 /nfs/dbraw/zinc/40/59/48/472405948.db2.gz JGGBZFMRVUNNPD-BQYQJAHWSA-N -1 0 330.203 2.935 20 30 EFEDRM CCOC(=O)N[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000032074038 472411873 /nfs/dbraw/zinc/41/18/73/472411873.db2.gz NDSSYJGQVXVKPC-YRUBURHZSA-N -1 0 337.376 2.880 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2)ncc1Br ZINC000097048802 472425896 /nfs/dbraw/zinc/42/58/96/472425896.db2.gz FKSWQSOEGBQIKP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cn1 ZINC000097081463 472434410 /nfs/dbraw/zinc/43/44/10/472434410.db2.gz LREOOHYJIJESFF-UHFFFAOYSA-N -1 0 341.820 2.781 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2F)c1 ZINC000097083174 472437637 /nfs/dbraw/zinc/43/76/37/472437637.db2.gz QUCXZJHMRWPJEI-UHFFFAOYSA-N -1 0 343.355 2.511 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000089490495 472451624 /nfs/dbraw/zinc/45/16/24/472451624.db2.gz MFUUTPZXARONBQ-CMDGGOBGSA-N -1 0 349.412 2.831 20 30 EFEDRM COc1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)on1 ZINC000154699031 472461755 /nfs/dbraw/zinc/46/17/55/472461755.db2.gz HSZVPBNBMZOKEG-UHFFFAOYSA-N -1 0 340.364 2.854 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000117740935 472478221 /nfs/dbraw/zinc/47/82/21/472478221.db2.gz ZMDIPZZUAGNRFK-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000117740773 472478761 /nfs/dbraw/zinc/47/87/61/472478761.db2.gz LRDJMBOKMXTFBF-UHFFFAOYSA-N -1 0 344.318 2.616 20 30 EFEDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058080486 472503274 /nfs/dbraw/zinc/50/32/74/472503274.db2.gz ZRALEIHEZHMKNP-STQMWFEESA-N -1 0 333.450 2.580 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1 ZINC000058189238 472514323 /nfs/dbraw/zinc/51/43/23/472514323.db2.gz IMGBXQMSNVUNBC-UHFFFAOYSA-N -1 0 325.386 2.699 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2cccc(OC)c2)cs1 ZINC000058188070 472514610 /nfs/dbraw/zinc/51/46/10/472514610.db2.gz NXPLWAWUKHUUAA-UHFFFAOYSA-N -1 0 340.426 2.602 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000155280990 472527319 /nfs/dbraw/zinc/52/73/19/472527319.db2.gz JLATVHZIDFWEQI-CYBMUJFWSA-N -1 0 339.399 2.677 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCCCC#N)c2)C(=O)O1 ZINC000100700654 472528081 /nfs/dbraw/zinc/52/80/81/472528081.db2.gz IMTBIWCETHGYGN-LKGOPFMKSA-N -1 0 339.347 2.597 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000101372594 472532186 /nfs/dbraw/zinc/53/21/86/472532186.db2.gz FQPTZRPYQQOFNO-LBPRGKRZSA-N -1 0 332.281 2.839 20 30 EFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000155511407 472559901 /nfs/dbraw/zinc/55/99/01/472559901.db2.gz YKBWNEWBCBQFOT-SNVBAGLBSA-N -1 0 345.405 2.518 20 30 EFEDRM C=CCN(Cc1ccccc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000129706577 472560013 /nfs/dbraw/zinc/56/00/13/472560013.db2.gz ANVVCSIRBOEQQU-UHFFFAOYSA-N -1 0 341.436 2.697 20 30 EFEDRM N#CC(=C([O-])c1scnc1C1CC1)c1nnc2n1CCCCC2 ZINC000089967338 472564883 /nfs/dbraw/zinc/56/48/83/472564883.db2.gz BVYDCUFGHAXNEI-NSHDSACASA-N -1 0 327.413 2.828 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC#N)c1ccccc1 ZINC000129968210 472576180 /nfs/dbraw/zinc/57/61/80/472576180.db2.gz OGSGNNTVSLLYRC-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC000130292689 472595592 /nfs/dbraw/zinc/59/55/92/472595592.db2.gz OTNSCTYOLDKQHG-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F ZINC000102862121 472596938 /nfs/dbraw/zinc/59/69/38/472596938.db2.gz FQKUHVRGDZKIMJ-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(F)c1 ZINC000130306034 472597684 /nfs/dbraw/zinc/59/76/84/472597684.db2.gz RVMPEFTUDQCZMB-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000130368618 472600865 /nfs/dbraw/zinc/60/08/65/472600865.db2.gz OUYPBGXRDDEAKG-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C)CC1 ZINC000120099247 472631044 /nfs/dbraw/zinc/63/10/44/472631044.db2.gz KNNZMRRYZBIBLE-UHFFFAOYSA-N -1 0 336.457 2.877 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc3c(c2)CC(C)(C)O3)C(=O)O1 ZINC000103717081 472642906 /nfs/dbraw/zinc/64/29/06/472642906.db2.gz QVPDJIOJLLZGSY-YXMMZVCTSA-N -1 0 326.348 2.628 20 30 EFEDRM N#CCC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000131287579 472661642 /nfs/dbraw/zinc/66/16/42/472661642.db2.gz VLGBHCCWPZSAHJ-UHFFFAOYSA-N -1 0 339.373 2.540 20 30 EFEDRM C=CCCS(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000120311703 472665743 /nfs/dbraw/zinc/66/57/43/472665743.db2.gz ARHXERAGTGJKJB-UHFFFAOYSA-N -1 0 347.227 2.892 20 30 EFEDRM CC(C)(C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120429198 472687260 /nfs/dbraw/zinc/68/72/60/472687260.db2.gz NTOHAAOUGQZRRR-UHFFFAOYSA-N -1 0 325.390 2.571 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC000091055864 472690203 /nfs/dbraw/zinc/69/02/03/472690203.db2.gz YYDVGXZDHMYOPK-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000131756198 472691565 /nfs/dbraw/zinc/69/15/65/472691565.db2.gz YNIWJWUUFBYHQX-UHFFFAOYSA-N -1 0 348.428 2.947 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000047367407 472697626 /nfs/dbraw/zinc/69/76/26/472697626.db2.gz QAQIIKFHAJWACI-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC)OC)cc1OCC ZINC000062674420 472745731 /nfs/dbraw/zinc/74/57/31/472745731.db2.gz BXYMGURRPBQQDK-LBPRGKRZSA-N -1 0 345.417 2.554 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000120911191 472766859 /nfs/dbraw/zinc/76/68/59/472766859.db2.gz HMQRQMVJJTZTRN-INIZCTEOSA-N -1 0 339.370 2.554 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccn(C(C)C)n2)n1 ZINC000073091842 472770990 /nfs/dbraw/zinc/77/09/90/472770990.db2.gz VMCBALBDWZLAMA-SNVBAGLBSA-N -1 0 332.385 2.587 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000079072732 472815836 /nfs/dbraw/zinc/81/58/36/472815836.db2.gz POYVWRYHFAUCTP-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM C[C@@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000064346503 472845055 /nfs/dbraw/zinc/84/50/55/472845055.db2.gz UETZAARZFKHDFC-NSHDSACASA-N -1 0 349.437 2.581 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000064479011 472858008 /nfs/dbraw/zinc/85/80/08/472858008.db2.gz ZIWUKYUUNJNVNM-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=CCCn1cc(CN=c2nc(-c3cccc(C)c3)[n-]s2)nn1 ZINC000631306936 480014868 /nfs/dbraw/zinc/01/48/68/480014868.db2.gz KTAYJBQAGQHXTA-UHFFFAOYSA-N -1 0 326.429 2.715 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000048425707 472875728 /nfs/dbraw/zinc/87/57/28/472875728.db2.gz HEJPSVOISNCWQL-NSHDSACASA-N -1 0 342.417 2.553 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000106724431 472883831 /nfs/dbraw/zinc/88/38/31/472883831.db2.gz ZXPPGAVWXWZLLB-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(F)c1 ZINC000158034981 472884715 /nfs/dbraw/zinc/88/47/15/472884715.db2.gz MYQZQXZMDDOSQF-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CC=CCC1 ZINC000048642991 472896081 /nfs/dbraw/zinc/89/60/81/472896081.db2.gz KRJBANXDSUARHQ-LLVKDONJSA-N -1 0 334.397 2.573 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1-n1cnnn1 ZINC000073976974 472914434 /nfs/dbraw/zinc/91/44/34/472914434.db2.gz GMOKDDDCUCKBCZ-CYBMUJFWSA-N -1 0 344.334 2.602 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000121878582 472935049 /nfs/dbraw/zinc/93/50/49/472935049.db2.gz VESCQTVRPXPVKT-AWEZNQCLSA-N -1 0 333.376 2.905 20 30 EFEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000065551748 472973753 /nfs/dbraw/zinc/97/37/53/472973753.db2.gz QSPRBGKIDDWVQO-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(C)=O)cc2)cc1C#N ZINC000074351380 472993871 /nfs/dbraw/zinc/99/38/71/472993871.db2.gz OBBQWJRFCHCMIZ-UHFFFAOYSA-N -1 0 327.365 2.836 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000080251542 473003768 /nfs/dbraw/zinc/00/37/68/473003768.db2.gz UOTAETRBZBYRBH-GWCFXTLKSA-N -1 0 327.450 2.899 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)n1 ZINC000080285283 473010604 /nfs/dbraw/zinc/01/06/04/473010604.db2.gz VINBDWIEHNOHAD-SNVBAGLBSA-N -1 0 346.412 2.667 20 30 EFEDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000066250008 473064695 /nfs/dbraw/zinc/06/46/95/473064695.db2.gz KDPARXTZMUOTKM-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC1(C)Cc2[n-]c(=NC(=O)c3sccc3C#N)sc2C(=O)C1 ZINC000052031305 473080720 /nfs/dbraw/zinc/08/07/20/473080720.db2.gz YLTLUWYDSPJZFX-UHFFFAOYSA-N -1 0 331.422 2.906 20 30 EFEDRM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000109425226 473099768 /nfs/dbraw/zinc/09/97/68/473099768.db2.gz UADCPGKCIZPIRS-UHFFFAOYSA-N -1 0 348.403 2.738 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1CC(C)C ZINC000160410434 473119819 /nfs/dbraw/zinc/11/98/19/473119819.db2.gz MHZBWHZIPDWRLU-UHFFFAOYSA-N -1 0 332.429 2.774 20 30 EFEDRM O=C(CC1CCC1)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000095405030 473198436 /nfs/dbraw/zinc/19/84/36/473198436.db2.gz WVGMUDZRZXNHGH-UHFFFAOYSA-N -1 0 337.376 2.847 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c(F)c1 ZINC000151048223 473402249 /nfs/dbraw/zinc/40/22/49/473402249.db2.gz LGFZGTDGMSRDSP-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000162976380 473402780 /nfs/dbraw/zinc/40/27/80/473402780.db2.gz RZNLHFHVHLSYNA-UHFFFAOYSA-N -1 0 347.378 2.529 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(Br)cc2)cc1O ZINC000190886720 473418471 /nfs/dbraw/zinc/41/84/71/473418471.db2.gz ZUINAMJUTICUJB-UHFFFAOYSA-N -1 0 331.169 2.956 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000113861977 473418980 /nfs/dbraw/zinc/41/89/80/473418980.db2.gz WSQXHGUJIDCQFQ-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125532548 473424015 /nfs/dbraw/zinc/42/40/15/473424015.db2.gz YXPSODGAURDQCF-QWRGUYRKSA-N -1 0 346.424 2.789 20 30 EFEDRM CN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)c1 ZINC000190902997 473424280 /nfs/dbraw/zinc/42/42/80/473424280.db2.gz GUOMPALSMAOVPP-OAHLLOKOSA-N -1 0 344.374 2.822 20 30 EFEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1cnc2ccccc2n1 ZINC000190937999 473433591 /nfs/dbraw/zinc/43/35/91/473433591.db2.gz BTGWFDLUEQXJDE-CQSZACIVSA-N -1 0 340.342 2.961 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000185630252 473471655 /nfs/dbraw/zinc/47/16/55/473471655.db2.gz KBPROHYYRFSYGG-UHFFFAOYSA-N -1 0 348.428 2.679 20 30 EFEDRM CCCc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)n1 ZINC000185639834 473474737 /nfs/dbraw/zinc/47/47/37/473474737.db2.gz JRURDJRMZKBSLG-UHFFFAOYSA-N -1 0 337.426 2.777 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000185640324 473474840 /nfs/dbraw/zinc/47/48/40/473474840.db2.gz BKWLHPCTHWWZMU-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1C#N ZINC000185654031 473479897 /nfs/dbraw/zinc/47/98/97/473479897.db2.gz BRUIWJKFLZZHPE-JOCHJYFZSA-N -1 0 348.449 2.546 20 30 EFEDRM C#CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000191120670 473482812 /nfs/dbraw/zinc/48/28/12/473482812.db2.gz CCOKYXGMOKDSKR-UHFFFAOYSA-N -1 0 342.420 2.501 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000185697979 473490892 /nfs/dbraw/zinc/49/08/92/473490892.db2.gz RJXXWVYHWQGRPG-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cn1 ZINC000164982961 473504081 /nfs/dbraw/zinc/50/40/81/473504081.db2.gz ORGVGFRSNVYCDQ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC3CC3)cc2)C(=O)O1 ZINC000191210127 473508300 /nfs/dbraw/zinc/50/83/00/473508300.db2.gz LBDHDELXCVYHGF-YOCVDRLZSA-N -1 0 326.348 2.704 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1C ZINC000126496639 473521361 /nfs/dbraw/zinc/52/13/61/473521361.db2.gz HXDBHNUZCCBSLC-BQYQJAHWSA-N -1 0 328.368 2.741 20 30 EFEDRM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000191466301 473542832 /nfs/dbraw/zinc/54/28/32/473542832.db2.gz VAMGVVKUJINZGX-CYBMUJFWSA-N -1 0 339.370 2.754 20 30 EFEDRM N#Cc1c(Br)cccc1NCC1(C(=O)[O-])CCOCC1 ZINC000168430264 473542949 /nfs/dbraw/zinc/54/29/49/473542949.db2.gz BFBRAVBFYIGVRH-UHFFFAOYSA-N -1 0 339.189 2.614 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1Cl ZINC000168885236 473544200 /nfs/dbraw/zinc/54/42/00/473544200.db2.gz TTXWANZHRYFAOK-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000172240953 473556698 /nfs/dbraw/zinc/55/66/98/473556698.db2.gz NRASQFTZQJQBRF-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM C=CCN(CCOC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000191789728 473577777 /nfs/dbraw/zinc/57/77/77/473577777.db2.gz KULQVXUGHFCOLF-UHFFFAOYSA-N -1 0 343.427 2.976 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1C#N ZINC000152649605 473586097 /nfs/dbraw/zinc/58/60/97/473586097.db2.gz UAHAYAHSAWOSGB-UHFFFAOYSA-N -1 0 348.428 2.993 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000179028513 473615099 /nfs/dbraw/zinc/61/50/99/473615099.db2.gz ROWHIZWGZBBBBY-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000179028065 473615154 /nfs/dbraw/zinc/61/51/54/473615154.db2.gz PRTCXSWBCZBZJQ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COCCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000633913304 480051956 /nfs/dbraw/zinc/05/19/56/480051956.db2.gz YLDCFXYMEHKAKX-LBPRGKRZSA-N -1 0 344.371 2.768 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(F)cc3C)nn2)n1 ZINC000179486034 473690895 /nfs/dbraw/zinc/69/08/95/473690895.db2.gz SKGLNCNMKDJIJL-LBPRGKRZSA-N -1 0 341.371 2.970 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(OC)[C@@H](C)CC)cc2[n-]c1=S ZINC000269145784 473708852 /nfs/dbraw/zinc/70/88/52/473708852.db2.gz PAFBYYVBNJTRSO-NSHDSACASA-N -1 0 347.440 2.673 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000192710668 473711022 /nfs/dbraw/zinc/71/10/22/473711022.db2.gz XBRCLLPFXKHZGR-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000179792912 473727381 /nfs/dbraw/zinc/72/73/81/473727381.db2.gz QRFGGGGEBXHEMT-NSHDSACASA-N -1 0 328.409 2.672 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263018547 473741150 /nfs/dbraw/zinc/74/11/50/473741150.db2.gz ISTHZPGKFKRJIV-SCLBCKFNSA-N -1 0 344.415 2.833 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263475837 473757980 /nfs/dbraw/zinc/75/79/80/473757980.db2.gz SVQVRQVJAUVRCJ-CYBMUJFWSA-N -1 0 343.383 2.799 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000193357821 473783787 /nfs/dbraw/zinc/78/37/87/473783787.db2.gz RAZAMPYDBRJTDM-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193356891 473784356 /nfs/dbraw/zinc/78/43/56/473784356.db2.gz QFYLKWMZMUXLKG-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nn1C(C)(C)C ZINC000193527437 473792168 /nfs/dbraw/zinc/79/21/68/473792168.db2.gz BWYLKSYOVKXMKX-CYBMUJFWSA-N -1 0 340.431 2.755 20 30 EFEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Cl)c1O ZINC000193609860 473797254 /nfs/dbraw/zinc/79/72/54/473797254.db2.gz ROEOTTBHWQVBFW-XBXARRHUSA-N -1 0 331.759 2.878 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000180175500 473819055 /nfs/dbraw/zinc/81/90/55/473819055.db2.gz GSIAFFAQUXFGJV-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC000194865976 473966207 /nfs/dbraw/zinc/96/62/07/473966207.db2.gz MICKCPZQHJHMCX-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(CC2CCCC2)o1 ZINC000194900183 473972328 /nfs/dbraw/zinc/97/23/28/473972328.db2.gz NARNTIVHJIHZHB-UHFFFAOYSA-N -1 0 346.412 2.783 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188246049 474032091 /nfs/dbraw/zinc/03/20/91/474032091.db2.gz HTOPFNRRYMCWBK-UHFFFAOYSA-N -1 0 336.351 2.824 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000188594172 474136734 /nfs/dbraw/zinc/13/67/34/474136734.db2.gz MXZQSNMGUMTLGI-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CC(=O)Nc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F ZINC000188762516 474188094 /nfs/dbraw/zinc/18/80/94/474188094.db2.gz WYHZOOGDXFWJMP-UHFFFAOYSA-N -1 0 325.299 2.780 20 30 EFEDRM CCc1nc(-c2ccccc2NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1 ZINC000188826858 474209443 /nfs/dbraw/zinc/20/94/43/474209443.db2.gz RCPJHXNSCPPVLO-UHFFFAOYSA-N -1 0 333.351 2.864 20 30 EFEDRM C#CCN(CC)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000270705666 474228867 /nfs/dbraw/zinc/22/88/67/474228867.db2.gz ALQWPSFQFZQNCK-UHFFFAOYSA-N -1 0 337.301 2.692 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183558796 474392937 /nfs/dbraw/zinc/39/29/37/474392937.db2.gz OKJWGGFRNRUSMZ-UHFFFAOYSA-N -1 0 348.305 2.820 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)NOCCC(F)(F)F ZINC000276076716 474409225 /nfs/dbraw/zinc/40/92/25/474409225.db2.gz NFAXVKDMFCMEHF-UHFFFAOYSA-N -1 0 332.282 2.770 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cn1 ZINC000189475982 474410687 /nfs/dbraw/zinc/41/06/87/474410687.db2.gz BMPKCGMPNHLZSB-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM O=C([O-])c1coc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000183756378 474424640 /nfs/dbraw/zinc/42/46/40/474424640.db2.gz NQUHQIOGRVUQOD-UHFFFAOYSA-N -1 0 337.253 2.778 20 30 EFEDRM CC(C)(C#N)c1ccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000277098544 474578225 /nfs/dbraw/zinc/57/82/25/474578225.db2.gz WIWNSFDJWIKRQF-UHFFFAOYSA-N -1 0 341.333 2.883 20 30 EFEDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290664952 474582333 /nfs/dbraw/zinc/58/23/33/474582333.db2.gz OIXSUHUOHLNSHL-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CC1(N2CCOCC2)CC1 ZINC000277367532 474582726 /nfs/dbraw/zinc/58/27/26/474582726.db2.gz ADHWSUCZXXJTJS-GIJQJNRQSA-N -1 0 329.227 2.983 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271647509 474583289 /nfs/dbraw/zinc/58/32/89/474583289.db2.gz HJYOGLALXNPQAT-GFCCVEGCSA-N -1 0 347.440 2.867 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000184789534 474607528 /nfs/dbraw/zinc/60/75/28/474607528.db2.gz UMDQVOURLCHFBJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COCC1(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000292846946 474673941 /nfs/dbraw/zinc/67/39/41/474673941.db2.gz QCIMJSUASGJCAR-UHFFFAOYSA-N -1 0 342.848 2.697 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2cc(F)ccc2C)o1 ZINC000291820324 474703241 /nfs/dbraw/zinc/70/32/41/474703241.db2.gz DVCSBYCEXOZQAM-UHFFFAOYSA-N -1 0 325.365 2.892 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000337131204 474724880 /nfs/dbraw/zinc/72/48/80/474724880.db2.gz JPOWHSLICMMAKO-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1C(F)(F)F ZINC000337137637 474728928 /nfs/dbraw/zinc/72/89/28/474728928.db2.gz OIMJKLBTTCMKMD-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000268030905 474762320 /nfs/dbraw/zinc/76/23/20/474762320.db2.gz ZLEHEGCDSUUYAI-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM C=CCN=c1[n-]nc(SCCOCC(F)(F)C(F)(F)F)s1 ZINC000344609641 474770698 /nfs/dbraw/zinc/77/06/98/474770698.db2.gz HEIQYLHLKIUUKU-UHFFFAOYSA-N -1 0 349.350 2.864 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000337199821 474776813 /nfs/dbraw/zinc/77/68/13/474776813.db2.gz ZEOFCZSNEZSSCI-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1-c1ccccc1 ZINC000340955215 474815655 /nfs/dbraw/zinc/81/56/55/474815655.db2.gz ANFBFOXEIIRSJC-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC(F)F ZINC000340958179 474820197 /nfs/dbraw/zinc/82/01/97/474820197.db2.gz OCXXNOVLOBYRBV-UHFFFAOYSA-N -1 0 328.296 2.862 20 30 EFEDRM Cc1cnn(C)c1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000284913633 474823225 /nfs/dbraw/zinc/82/32/25/474823225.db2.gz BFOAGDGLIVMXJR-MDZDMXLPSA-N -1 0 328.368 2.868 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccccc1 ZINC000345010097 474823966 /nfs/dbraw/zinc/82/39/66/474823966.db2.gz MOYQUPWVWVTQPO-OAHLLOKOSA-N -1 0 346.394 2.727 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccccc1 ZINC000345010096 474824744 /nfs/dbraw/zinc/82/47/44/474824744.db2.gz MOYQUPWVWVTQPO-HNNXBMFYSA-N -1 0 346.394 2.727 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340972599 474835230 /nfs/dbraw/zinc/83/52/30/474835230.db2.gz XGMBSBKHGKVKFO-UHFFFAOYSA-N -1 0 330.369 2.646 20 30 EFEDRM CC#CCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000341008612 474875412 /nfs/dbraw/zinc/87/54/12/474875412.db2.gz SKVZRSJTAYDJDI-UHFFFAOYSA-N -1 0 337.301 2.692 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)[O-] ZINC000315949718 474876556 /nfs/dbraw/zinc/87/65/56/474876556.db2.gz UYUBJFVQJZRPSY-AWEZNQCLSA-N -1 0 325.430 2.618 20 30 EFEDRM COc1ccc2c(O)c(C(=O)N[C@H](C)c3ccc(C#N)cc3)cnc2c1 ZINC000339050900 474880752 /nfs/dbraw/zinc/88/07/52/474880752.db2.gz AAZGQSBAWXKJSO-GFCCVEGCSA-N -1 0 347.374 2.899 20 30 EFEDRM C=CCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000317156827 474884161 /nfs/dbraw/zinc/88/41/61/474884161.db2.gz JQJOVZAITCXFBK-UHFFFAOYSA-N -1 0 347.820 2.634 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000317882321 474888423 /nfs/dbraw/zinc/88/84/23/474888423.db2.gz ZICFLLKZYXWFSW-UHFFFAOYSA-N -1 0 340.744 2.612 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000318174218 474889633 /nfs/dbraw/zinc/88/96/33/474889633.db2.gz JFLOANCLTPRMMX-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000255848134 474908293 /nfs/dbraw/zinc/90/82/93/474908293.db2.gz QODKEFIISXGNOS-KHPPLWFESA-N -1 0 340.404 2.526 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C(F)(F)F ZINC000321108798 474921993 /nfs/dbraw/zinc/92/19/93/474921993.db2.gz QEINKRSMNXKAMI-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1C#N ZINC000339094740 474923505 /nfs/dbraw/zinc/92/35/05/474923505.db2.gz NPWMPZIDPTWMII-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2cc(F)cc3n[nH]nc32)C2CC2)cc1 ZINC000337380308 474957439 /nfs/dbraw/zinc/95/74/39/474957439.db2.gz BXYLPQVCAQVLHF-UHFFFAOYSA-N -1 0 335.342 2.773 20 30 EFEDRM CCN(CC#N)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000279333458 474971534 /nfs/dbraw/zinc/97/15/34/474971534.db2.gz YJNFVXJSLWJTOI-UHFFFAOYSA-N -1 0 338.289 2.582 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000279897315 474998854 /nfs/dbraw/zinc/99/88/54/474998854.db2.gz ZMOJVEBLEGMTTA-ZDUSSCGKSA-N -1 0 346.349 2.540 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000273660184 475003651 /nfs/dbraw/zinc/00/36/51/475003651.db2.gz DYUQEBPCBONDKE-UHFFFAOYSA-N -1 0 349.330 2.743 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H]2c2ccccc2)cc1C#N ZINC000339179112 475010030 /nfs/dbraw/zinc/01/00/30/475010030.db2.gz JOBUSJZHVBDUIW-AWEZNQCLSA-N -1 0 325.393 2.968 20 30 EFEDRM CC1(C#N)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000280358980 475021614 /nfs/dbraw/zinc/02/16/14/475021614.db2.gz CRLXMNHALRLANZ-UHFFFAOYSA-N -1 0 329.581 2.794 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000339200492 475033323 /nfs/dbraw/zinc/03/33/23/475033323.db2.gz NQXORCNCWUNXMI-DZGCQCFKSA-N -1 0 327.384 2.841 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000280691798 475042833 /nfs/dbraw/zinc/04/28/33/475042833.db2.gz FWOHHYAJBFEIFT-YGRLFVJLSA-N -1 0 333.812 2.739 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc(OC)c1OC ZINC000261748895 475049967 /nfs/dbraw/zinc/04/99/67/475049967.db2.gz NGGDRXBGICSECG-NHYWBVRUSA-N -1 0 335.400 2.661 20 30 EFEDRM Cc1sc2ncc(/C([O-])=N/C[C@H]3CCCCS3)c(=O)n2c1C ZINC000329660407 475106463 /nfs/dbraw/zinc/10/64/63/475106463.db2.gz ONLBCHZHQYJHFW-LLVKDONJSA-N -1 0 337.470 2.963 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000345356115 475121977 /nfs/dbraw/zinc/12/19/77/475121977.db2.gz RNFGPBIZQLJNPE-CQSZACIVSA-N -1 0 343.427 2.616 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CCCOCC2)s[n-]1 ZINC000329966374 475175329 /nfs/dbraw/zinc/17/53/29/475175329.db2.gz RUJSVJFMNYBUET-JTQLQIEISA-N -1 0 338.458 2.892 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)NC[C@]2(C)CCOC2)s[n-]1 ZINC000329976657 475176978 /nfs/dbraw/zinc/17/69/78/475176978.db2.gz YWSNZAISBXLUJW-AWEZNQCLSA-N -1 0 338.458 2.749 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)NC[C@@H]2CCCOC2)s[n-]1 ZINC000329974247 475177243 /nfs/dbraw/zinc/17/72/43/475177243.db2.gz XENWXOVCWZLDJU-JTQLQIEISA-N -1 0 338.458 2.749 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2/N=C(/[O-])Cc2cn3ccsc3n2)cn1 ZINC000330319174 475226229 /nfs/dbraw/zinc/22/62/29/475226229.db2.gz CZDOMFVOIYSTRS-DZGCQCFKSA-N -1 0 345.428 2.549 20 30 EFEDRM Cc1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)c(C)c1 ZINC000341770604 475287042 /nfs/dbraw/zinc/28/70/42/475287042.db2.gz FFRWCQQLKXSFCW-QHCPKHFHSA-N -1 0 326.421 2.599 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000354633419 475306064 /nfs/dbraw/zinc/30/60/64/475306064.db2.gz GYGHXXMIXQBFNK-UHFFFAOYSA-N -1 0 338.738 2.975 20 30 EFEDRM C[C@@H]1CC[C@@H](CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000331057603 475307576 /nfs/dbraw/zinc/30/75/76/475307576.db2.gz ABELFVMQUGWJJL-GHMZBOCLSA-N -1 0 328.409 2.938 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)s1 ZINC000331111150 475311233 /nfs/dbraw/zinc/31/12/33/475311233.db2.gz BVILNRFJNPRJAT-AAEUAGOBSA-N -1 0 326.466 2.546 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000337800225 475334156 /nfs/dbraw/zinc/33/41/56/475334156.db2.gz HJQPAVQGCPVTNI-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000339600013 475337216 /nfs/dbraw/zinc/33/72/16/475337216.db2.gz XTBGGPOSSVCCBT-UHFFFAOYSA-N -1 0 338.392 2.839 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)n[n-]c1=NC(C)(C)C ZINC000361318349 475350029 /nfs/dbraw/zinc/35/00/29/475350029.db2.gz KPBMKQSOIXIKTR-UHFFFAOYSA-N -1 0 348.472 2.557 20 30 EFEDRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000358126609 475420945 /nfs/dbraw/zinc/42/09/45/475420945.db2.gz AXKUWVAPMGBKLT-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM COCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)C ZINC000337959815 475462855 /nfs/dbraw/zinc/46/28/55/475462855.db2.gz TWQLTCDCKMFOBJ-CQSZACIVSA-N -1 0 344.864 2.941 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(Br)s2)[n-]1 ZINC000354930053 475531085 /nfs/dbraw/zinc/53/10/85/475531085.db2.gz ZMUAECOGGBCNOA-UHFFFAOYSA-N -1 0 339.218 2.834 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000338084914 475574785 /nfs/dbraw/zinc/57/47/85/475574785.db2.gz KZTKRDXFTLNNIX-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C)c(C)nc2C)n1 ZINC000342331459 475584679 /nfs/dbraw/zinc/58/46/79/475584679.db2.gz CBGQYLVJFKIFPH-LLVKDONJSA-N -1 0 344.396 2.525 20 30 EFEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000342366501 475590335 /nfs/dbraw/zinc/59/03/35/475590335.db2.gz IRGJHOIWWBABNG-ZDUSSCGKSA-N -1 0 329.381 2.822 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCCC1 ZINC000339918349 475611142 /nfs/dbraw/zinc/61/11/42/475611142.db2.gz DFQDKAWLTBOIBS-HNNXBMFYSA-N -1 0 342.374 2.919 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@H]2C[C@H](C)O)cc1C#N ZINC000332369723 475616871 /nfs/dbraw/zinc/61/68/71/475616871.db2.gz WNCDRIRUSGBRIE-AAEUAGOBSA-N -1 0 349.456 2.536 20 30 EFEDRM Cn1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000338147810 475627032 /nfs/dbraw/zinc/62/70/32/475627032.db2.gz QUFCECJXRGLPOX-VIFPVBQESA-N -1 0 338.245 2.837 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2O)c1 ZINC000342775499 475638564 /nfs/dbraw/zinc/63/85/64/475638564.db2.gz GFZWVSFVAGVGBM-UHFFFAOYSA-N -1 0 335.381 2.766 20 30 EFEDRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000348447340 475671386 /nfs/dbraw/zinc/67/13/86/475671386.db2.gz USVWCLVSNQNIEF-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000340043265 475712070 /nfs/dbraw/zinc/71/20/70/475712070.db2.gz TUXKJQALFIQQFG-GFCCVEGCSA-N -1 0 333.417 2.558 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000358498073 475726948 /nfs/dbraw/zinc/72/69/48/475726948.db2.gz PIYNMIUBYWQGKM-LLVKDONJSA-N -1 0 330.413 2.971 20 30 EFEDRM N#Cc1cccc(CCNC(=O)c2ccc(Br)c(O)c2)c1 ZINC000340105935 475762346 /nfs/dbraw/zinc/76/23/46/475762346.db2.gz OOTNHCNJSGAZLV-UHFFFAOYSA-N -1 0 345.196 2.999 20 30 EFEDRM Cc1ccsc1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000358594102 475793860 /nfs/dbraw/zinc/79/38/60/475793860.db2.gz CBZSGIDEAINAIX-UHFFFAOYSA-N -1 0 342.392 2.727 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)o1 ZINC000340159874 475812339 /nfs/dbraw/zinc/81/23/39/475812339.db2.gz BDBFORLIGVBLAX-UHFFFAOYSA-N -1 0 330.756 2.997 20 30 EFEDRM COc1ccc(CN2CCC(F)(C#N)CC2)c(Br)c1O ZINC000348712066 475829102 /nfs/dbraw/zinc/82/91/02/475829102.db2.gz HICOVJBHXRHPLT-UHFFFAOYSA-N -1 0 343.196 2.991 20 30 EFEDRM CCc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c2c(n1)onc2C(C)C ZINC000338365893 475829212 /nfs/dbraw/zinc/82/92/12/475829212.db2.gz NCYGGKRFASTKAC-UHFFFAOYSA-N -1 0 349.354 2.627 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000358826301 475969469 /nfs/dbraw/zinc/96/94/69/475969469.db2.gz QHQALCBVOFNDKQ-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c2n[nH]cc21 ZINC000358841269 475979747 /nfs/dbraw/zinc/97/97/47/475979747.db2.gz UVBCZQOXHAZQOO-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000350012653 476031107 /nfs/dbraw/zinc/03/11/07/476031107.db2.gz CJLSQIUTYFNAND-UHFFFAOYSA-N -1 0 346.408 2.708 20 30 EFEDRM CCc1oc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1C(=O)OC ZINC000338628287 476063444 /nfs/dbraw/zinc/06/34/44/476063444.db2.gz ZDJXYAODZTYWQJ-GFCCVEGCSA-N -1 0 327.340 2.526 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(OC)c1 ZINC000355834928 476064100 /nfs/dbraw/zinc/06/41/00/476064100.db2.gz AISHUVSVGCMKHN-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000338688044 476113440 /nfs/dbraw/zinc/11/34/40/476113440.db2.gz MJQKQMGTDXLQAN-OAHLLOKOSA-N -1 0 348.362 2.540 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1sccc1C ZINC000356719620 476124564 /nfs/dbraw/zinc/12/45/64/476124564.db2.gz DMBNOJCVJOTSCL-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000336849817 476141399 /nfs/dbraw/zinc/14/13/99/476141399.db2.gz JRLPRRWTIFNMBR-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000336852713 476143388 /nfs/dbraw/zinc/14/33/88/476143388.db2.gz WUYWCUZAEYBRNR-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000336864388 476146145 /nfs/dbraw/zinc/14/61/45/476146145.db2.gz RNLCBENPMJHJDR-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000336865788 476148734 /nfs/dbraw/zinc/14/87/34/476148734.db2.gz GBTCLDHPNGNTPW-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362306429 476157429 /nfs/dbraw/zinc/15/74/29/476157429.db2.gz SCSXASGKWZFJGI-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000336875743 476159112 /nfs/dbraw/zinc/15/91/12/476159112.db2.gz LFFRMDGKFPLSSW-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1 ZINC000340635978 476168476 /nfs/dbraw/zinc/16/84/76/476168476.db2.gz SAXGLUSAFFDBGF-UHFFFAOYSA-N -1 0 335.816 2.782 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000359078819 476169611 /nfs/dbraw/zinc/16/96/11/476169611.db2.gz LNTJSVLGDFOLOV-UHFFFAOYSA-N -1 0 332.719 2.604 20 30 EFEDRM COc1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000340724845 476232444 /nfs/dbraw/zinc/23/24/44/476232444.db2.gz DGSLHCYOFGWVFC-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1-c1ncco1 ZINC000357142944 476261364 /nfs/dbraw/zinc/26/13/64/476261364.db2.gz CGNRJBZDZWTQES-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357149490 476264768 /nfs/dbraw/zinc/26/47/68/476264768.db2.gz MNTLMTXXAIWVMA-UHFFFAOYSA-N -1 0 343.408 2.983 20 30 EFEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000353782515 476268515 /nfs/dbraw/zinc/26/85/15/476268515.db2.gz VMNHGNSGNHNURS-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000357164156 476271236 /nfs/dbraw/zinc/27/12/36/476271236.db2.gz LLIBNPVVKVMKLV-IINYFYTJSA-N -1 0 348.765 2.521 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C#N ZINC000357164874 476271376 /nfs/dbraw/zinc/27/13/76/476271376.db2.gz NVKLTZRXPFAQHP-UHFFFAOYSA-N -1 0 342.362 2.879 20 30 EFEDRM COc1cccc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000353797960 476277153 /nfs/dbraw/zinc/27/71/53/476277153.db2.gz OLOKNUPKKPZQOP-SNVBAGLBSA-N -1 0 343.408 2.880 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccccc3Cl)on2)c1C#N ZINC000357247578 476304090 /nfs/dbraw/zinc/30/40/90/476304090.db2.gz BRJPMPMBFRYYQL-UHFFFAOYSA-N -1 0 327.731 2.572 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccc(Cl)s3)on2)c1C#N ZINC000357249690 476304822 /nfs/dbraw/zinc/30/48/22/476304822.db2.gz XPLITGCFHKMAOA-UHFFFAOYSA-N -1 0 333.760 2.634 20 30 EFEDRM CCCOc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(OC(C)C)c1 ZINC000357252943 476305330 /nfs/dbraw/zinc/30/53/30/476305330.db2.gz GZNNBZYBYSTAOM-UHFFFAOYSA-N -1 0 342.399 2.840 20 30 EFEDRM CNC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000353894598 476316234 /nfs/dbraw/zinc/31/62/34/476316234.db2.gz MYHRBJABVVZPQZ-LLVKDONJSA-N -1 0 328.397 2.511 20 30 EFEDRM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000362587892 476319528 /nfs/dbraw/zinc/31/95/28/476319528.db2.gz NTGFOJZGYZESTB-NSHDSACASA-N -1 0 336.438 2.853 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1Cl ZINC000362656021 476342370 /nfs/dbraw/zinc/34/23/70/476342370.db2.gz JUHIPAXHPWQFQX-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357379676 476351153 /nfs/dbraw/zinc/35/11/53/476351153.db2.gz BHRCVEDSQIXRDN-UHFFFAOYSA-N -1 0 336.442 2.799 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c1 ZINC000357389501 476353968 /nfs/dbraw/zinc/35/39/68/476353968.db2.gz OERRJZBWOKQULR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357463785 476399247 /nfs/dbraw/zinc/39/92/47/476399247.db2.gz DYNARDWKKMHRRC-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)cc1 ZINC000357525181 476431555 /nfs/dbraw/zinc/43/15/55/476431555.db2.gz XHSNAFKPFZHUTM-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)c1ccccc1 ZINC000352194291 476541050 /nfs/dbraw/zinc/54/10/50/476541050.db2.gz WKUIZWRZXQIZJR-UHFFFAOYSA-N -1 0 349.383 2.824 20 30 EFEDRM COc1ccc(Cn2ccc(N=c3s[n-]c(C)c3C#N)n2)cc1 ZINC000361015504 476544542 /nfs/dbraw/zinc/54/45/42/476544542.db2.gz UBQFKOSVZUUFGT-UHFFFAOYSA-N -1 0 325.397 2.742 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000357724881 476560759 /nfs/dbraw/zinc/56/07/59/476560759.db2.gz KATIZDHQVKOTKF-LLVKDONJSA-N -1 0 344.392 2.691 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)o1 ZINC000361114651 476609733 /nfs/dbraw/zinc/60/97/33/476609733.db2.gz FORWKIVQAQGAGM-UHFFFAOYSA-N -1 0 346.286 2.893 20 30 EFEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000357855886 476651065 /nfs/dbraw/zinc/65/10/65/476651065.db2.gz BISQCXNPTPTIRO-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(OC)cc1 ZINC000352369660 476667868 /nfs/dbraw/zinc/66/78/68/476667868.db2.gz ZUWZRLGMTWBUHJ-OAHLLOKOSA-N -1 0 347.378 2.723 20 30 EFEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccncn1 ZINC000354468790 476677887 /nfs/dbraw/zinc/67/78/87/476677887.db2.gz POZHIQNNUHYKSP-OAHLLOKOSA-N -1 0 347.353 2.780 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000443417990 476715267 /nfs/dbraw/zinc/71/52/67/476715267.db2.gz OKKUDRRCBGUOED-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000422626688 476721337 /nfs/dbraw/zinc/72/13/37/476721337.db2.gz KPLXHNZJQSEEKK-CYBMUJFWSA-N -1 0 332.400 2.503 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000398075792 476867080 /nfs/dbraw/zinc/86/70/80/476867080.db2.gz OMLZZJLJGRUTKS-CYBMUJFWSA-N -1 0 337.441 2.826 20 30 EFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccc(F)cc3)o2)c1 ZINC000430624954 476883609 /nfs/dbraw/zinc/88/36/09/476883609.db2.gz JPUUGSADCANMKS-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nncn3c2)s1 ZINC000430640035 476887228 /nfs/dbraw/zinc/88/72/28/476887228.db2.gz JFCZSYKKHFZTHL-NSHDSACASA-N -1 0 325.397 2.973 20 30 EFEDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446968165 476939007 /nfs/dbraw/zinc/93/90/07/476939007.db2.gz XZGLVNHEXFDBPA-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM Cc1cc(CN=c2[n-]nc([C@@H]3COc4ccccc4O3)o2)ccc1C#N ZINC000446966668 476939498 /nfs/dbraw/zinc/93/94/98/476939498.db2.gz PNWMSSHVVVTMNX-KRWDZBQOSA-N -1 0 348.362 2.796 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(OC(F)F)c(F)c2)[n-]1 ZINC000410539678 477016597 /nfs/dbraw/zinc/01/65/97/477016597.db2.gz KMXPOGAFDDVQCX-UHFFFAOYSA-N -1 0 338.289 2.750 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)[n-]1 ZINC000410538524 477016985 /nfs/dbraw/zinc/01/69/85/477016985.db2.gz HHOCONDSGOWCDQ-ABAIWWIYSA-N -1 0 344.440 2.708 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000431633568 477065299 /nfs/dbraw/zinc/06/52/99/477065299.db2.gz CQXAQEKDEGXYSV-HNNXBMFYSA-N -1 0 336.363 2.984 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416492180 477185419 /nfs/dbraw/zinc/18/54/19/477185419.db2.gz BSQDXMWMZKPZQT-UHFFFAOYSA-N -1 0 331.821 2.617 20 30 EFEDRM CC(C)(C)c1[n-]n(Cc2nc(C(F)F)no2)c(=O)c1CCC#N ZINC000424093885 477289332 /nfs/dbraw/zinc/28/93/32/477289332.db2.gz SKCPPMVQYPHQOE-UHFFFAOYSA-N -1 0 325.319 2.711 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)CCC1 ZINC000416823998 477325059 /nfs/dbraw/zinc/32/50/59/477325059.db2.gz OLRAWAPPEOGESV-UHFFFAOYSA-N -1 0 345.403 2.505 20 30 EFEDRM C=C(C)CCNC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000454742722 477356509 /nfs/dbraw/zinc/35/65/09/477356509.db2.gz KSUKSLLDSSEPID-UHFFFAOYSA-N -1 0 332.429 2.647 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416947293 477382820 /nfs/dbraw/zinc/38/28/20/477382820.db2.gz XVWDGPVINAAZOV-INIZCTEOSA-N -1 0 347.440 2.545 20 30 EFEDRM CC(C)(CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21)C(=O)[O-] ZINC000424374466 477383340 /nfs/dbraw/zinc/38/33/40/477383340.db2.gz LDIUVSGESLOPEC-UHFFFAOYSA-N -1 0 337.301 2.858 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1nn([C@@H](C)c2ccccc2)cc1C ZINC000416954821 477385662 /nfs/dbraw/zinc/38/56/62/477385662.db2.gz JAJJBQFORXFVKK-DZGCQCFKSA-N -1 0 332.429 2.845 20 30 EFEDRM CCOc1cc(Br)ccc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416964100 477390108 /nfs/dbraw/zinc/39/01/08/477390108.db2.gz VNVKADKEWBYVDS-JTQLQIEISA-N -1 0 347.234 2.892 20 30 EFEDRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3CC#N)cn21 ZINC000416967929 477392603 /nfs/dbraw/zinc/39/26/03/477392603.db2.gz XVHZGTIZZKQZIT-GFCCVEGCSA-N -1 0 330.413 2.647 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000416967928 477393095 /nfs/dbraw/zinc/39/30/95/477393095.db2.gz XVFNHBAEPVWWEM-NSHDSACASA-N -1 0 340.355 2.503 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000416969252 477394706 /nfs/dbraw/zinc/39/47/06/477394706.db2.gz ZXMBMBHCTMUURT-LURJTMIESA-N -1 0 326.271 2.610 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000424420990 477401619 /nfs/dbraw/zinc/40/16/19/477401619.db2.gz LDSDEJZOTURFIT-AWEZNQCLSA-N -1 0 329.400 2.593 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000424592247 477445213 /nfs/dbraw/zinc/44/52/13/477445213.db2.gz BITRNPVPZZGWIO-SNVBAGLBSA-N -1 0 348.380 2.540 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000436258007 477451530 /nfs/dbraw/zinc/45/15/30/477451530.db2.gz AIMQARLIXLCECB-CHWSQXEVSA-N -1 0 338.477 2.966 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3n[nH]c(C(F)(F)F)n3)on2)c1 ZINC000436433270 477479904 /nfs/dbraw/zinc/47/99/04/477479904.db2.gz BXNBZLSFOOUTAZ-UHFFFAOYSA-N -1 0 348.244 2.602 20 30 EFEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1O ZINC000436625597 477537077 /nfs/dbraw/zinc/53/70/77/477537077.db2.gz FFVWQBZVPQILQV-HYXAFXHYSA-N -1 0 326.308 2.545 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436731535 477573910 /nfs/dbraw/zinc/57/39/10/477573910.db2.gz LXCKZSVCSGFJGM-CQSZACIVSA-N -1 0 325.324 2.857 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436731805 477574784 /nfs/dbraw/zinc/57/47/84/477574784.db2.gz NCOQCSRNZWSKNU-OAHLLOKOSA-N -1 0 325.324 2.857 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436824344 477602689 /nfs/dbraw/zinc/60/26/89/477602689.db2.gz APYUPXZVOLPAPM-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)nc1 ZINC000436868109 477620083 /nfs/dbraw/zinc/62/00/83/477620083.db2.gz GDSMTBKGZIQBHL-CYBMUJFWSA-N -1 0 343.770 2.606 20 30 EFEDRM CCc1ccccc1-n1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1 ZINC000420243453 477647550 /nfs/dbraw/zinc/64/75/50/477647550.db2.gz PXYJEVWSAGHHBI-HNNXBMFYSA-N -1 0 346.394 2.727 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC000436980148 477656140 /nfs/dbraw/zinc/65/61/40/477656140.db2.gz OPEMVEWBEKJWDZ-CYBMUJFWSA-N -1 0 331.715 2.948 20 30 EFEDRM CCCCOc1ccc(C(=O)N=c2cc(C)n(CCC#N)[nH]2)c([O-])c1 ZINC000436991426 477658602 /nfs/dbraw/zinc/65/86/02/477658602.db2.gz TYHLDJYGPKGWMR-UHFFFAOYSA-N -1 0 342.399 2.664 20 30 EFEDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000437002180 477661259 /nfs/dbraw/zinc/66/12/59/477661259.db2.gz LXGCAMNXUWHKOX-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc(-c2ccccc2)cs1 ZINC000437392657 477703232 /nfs/dbraw/zinc/70/32/32/477703232.db2.gz OKYKUUMKXGNHAU-LLVKDONJSA-N -1 0 337.360 2.992 20 30 EFEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2)n1 ZINC000367926939 477757103 /nfs/dbraw/zinc/75/71/03/477757103.db2.gz MREQILXDIKAQGF-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)o1 ZINC000367936811 477761663 /nfs/dbraw/zinc/76/16/63/477761663.db2.gz ZUVIKVWJASNVGF-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(=O)[O-] ZINC000455907242 477781012 /nfs/dbraw/zinc/78/10/12/477781012.db2.gz NZFCVNNOEBRMOQ-QGZVFWFLSA-N -1 0 347.411 2.784 20 30 EFEDRM CCc1nnc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000450974010 477781389 /nfs/dbraw/zinc/78/13/89/477781389.db2.gz LHWWPIGMNWSDEZ-UHFFFAOYSA-N -1 0 342.833 2.621 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2ccc(C)c(F)c2)o1 ZINC000451019134 477792564 /nfs/dbraw/zinc/79/25/64/477792564.db2.gz ZLVZLHMTUOQKDA-UHFFFAOYSA-N -1 0 325.365 2.892 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)nc1C ZINC000451070288 477809190 /nfs/dbraw/zinc/80/91/90/477809190.db2.gz NWFUQJJNQBMBKX-UHFFFAOYSA-N -1 0 338.820 2.732 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1C#N ZINC000451091759 477818658 /nfs/dbraw/zinc/81/86/58/477818658.db2.gz SAUZJSQHORLCGI-UHFFFAOYSA-N -1 0 335.454 2.843 20 30 EFEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)cc1 ZINC000451097961 477822409 /nfs/dbraw/zinc/82/24/09/477822409.db2.gz QRTXYVCKKSGHBC-LBPRGKRZSA-N -1 0 329.425 2.998 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c(C)[nH]c2ccccc21)C(=O)[O-] ZINC000515786912 477861157 /nfs/dbraw/zinc/86/11/57/477861157.db2.gz HQDDYNXFCWHOPS-MRXNPFEDSA-N -1 0 329.400 2.737 20 30 EFEDRM C=C(C)Cn1c(CCCc2ccccc2)n[n-]c1=Nc1cnn(C)c1 ZINC000460545796 477862039 /nfs/dbraw/zinc/86/20/39/477862039.db2.gz SHSBUVANPGLZRY-UHFFFAOYSA-N -1 0 336.443 2.929 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]ncn2Cc2ccccc2)cc1 ZINC000530286037 477880935 /nfs/dbraw/zinc/88/09/35/477880935.db2.gz OORZRMXQWGKQMO-UHFFFAOYSA-N -1 0 345.406 2.802 20 30 EFEDRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CC#N)c2)c1 ZINC000531747584 477911234 /nfs/dbraw/zinc/91/12/34/477911234.db2.gz ZJGLCBFJTMPKCR-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000532162740 477919885 /nfs/dbraw/zinc/91/98/85/477919885.db2.gz PHBCCIZFTIBQQU-UHFFFAOYSA-N -1 0 330.394 2.558 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1C ZINC000532163098 477920133 /nfs/dbraw/zinc/92/01/33/477920133.db2.gz KOQUAEPOVTWCCD-UHFFFAOYSA-N -1 0 331.397 2.574 20 30 EFEDRM CC#CCSc1n[n-]c(=NCCc2ccc(OC)c(OC)c2)s1 ZINC000463046196 477924959 /nfs/dbraw/zinc/92/49/59/477924959.db2.gz WHXGBCLLTQFKOR-UHFFFAOYSA-N -1 0 349.481 2.747 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000558879096 477939335 /nfs/dbraw/zinc/93/93/35/477939335.db2.gz SVTLMECGVBLADO-JTQLQIEISA-N -1 0 331.459 2.743 20 30 EFEDRM CC[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C)OC ZINC000421138462 477977282 /nfs/dbraw/zinc/97/72/82/477977282.db2.gz BCUPSRZPKYPAMG-CYBMUJFWSA-N -1 0 326.418 2.512 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000559354282 477978455 /nfs/dbraw/zinc/97/84/55/477978455.db2.gz QCRBQHPNWZQMBM-DYVFJYSZSA-N -1 0 342.395 2.856 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000559354284 477978615 /nfs/dbraw/zinc/97/86/15/477978615.db2.gz QCRBQHPNWZQMBM-SUMWQHHRSA-N -1 0 342.395 2.856 20 30 EFEDRM C=CCN(C(=O)Nc1nccs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000559413664 477981710 /nfs/dbraw/zinc/98/17/10/477981710.db2.gz QOUYTDDKQABDDK-CYBMUJFWSA-N -1 0 331.397 2.859 20 30 EFEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000421147467 477982812 /nfs/dbraw/zinc/98/28/12/477982812.db2.gz CABJFKJGSQKDBR-SFHVURJKSA-N -1 0 344.436 2.752 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000516851767 477996255 /nfs/dbraw/zinc/99/62/55/477996255.db2.gz ZGNWYHAMYCYXMG-ZDUSSCGKSA-N -1 0 328.771 2.740 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000532874484 477999291 /nfs/dbraw/zinc/99/92/91/477999291.db2.gz RAVOPLHLCKPOFD-ZDUSSCGKSA-N -1 0 333.384 2.587 20 30 EFEDRM COc1ccccc1-c1n[n-]c(=NC(=O)NCC(C)(C)CC#N)s1 ZINC000459611882 478008670 /nfs/dbraw/zinc/00/86/70/478008670.db2.gz UXAXFYHJKQBTLW-UHFFFAOYSA-N -1 0 345.428 2.697 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000439622515 478008615 /nfs/dbraw/zinc/00/86/15/478008615.db2.gz OSBAPLRAIGBCBR-UHFFFAOYSA-N -1 0 331.397 2.799 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471928369 478011020 /nfs/dbraw/zinc/01/10/20/478011020.db2.gz IBLPPCIIUZONEM-UHFFFAOYSA-N -1 0 345.355 2.988 20 30 EFEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)=NN=c1ccc(Cl)n[n-]1 ZINC000494659129 478038413 /nfs/dbraw/zinc/03/84/13/478038413.db2.gz MNSSDYNFVJECBA-VIFPVBQESA-N -1 0 327.816 2.643 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000494693045 478044917 /nfs/dbraw/zinc/04/49/17/478044917.db2.gz HLTSLMYFSILZMD-LLVKDONJSA-N -1 0 334.376 2.625 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000517271169 478075454 /nfs/dbraw/zinc/07/54/54/478075454.db2.gz XDYARWKDUHWPEI-GFCCVEGCSA-N -1 0 341.360 2.578 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000517365421 478083298 /nfs/dbraw/zinc/08/32/98/478083298.db2.gz CACGJNKKMCLTEA-AWEZNQCLSA-N -1 0 343.470 2.810 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@H](O)Cc2cccc(Cl)c2)s1 ZINC000487965314 478092801 /nfs/dbraw/zinc/09/28/01/478092801.db2.gz DPYIJPTWDHXASH-GFCCVEGCSA-N -1 0 341.889 2.907 20 30 EFEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000429280908 478097176 /nfs/dbraw/zinc/09/71/76/478097176.db2.gz SREMVWRRMHRCJX-JTQLQIEISA-N -1 0 336.273 2.779 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000517700328 478114574 /nfs/dbraw/zinc/11/45/74/478114574.db2.gz CJFRYICXZFWFGG-AAEUAGOBSA-N -1 0 335.360 2.683 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N(CCC#N)Cc2ccco2)s1 ZINC000495149108 478130008 /nfs/dbraw/zinc/13/00/08/478130008.db2.gz FSRPCHIIUZUELI-UHFFFAOYSA-N -1 0 337.430 2.613 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000518110771 478144464 /nfs/dbraw/zinc/14/44/64/478144464.db2.gz ZFRJBVDIIZCRRC-UHFFFAOYSA-N -1 0 337.408 2.683 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2csc([C@H]3CCCO3)n2)nc(C)n1 ZINC000534469773 478153136 /nfs/dbraw/zinc/15/31/36/478153136.db2.gz SYGZJAKZEYCHAA-BXUZGUMPSA-N -1 0 328.397 2.892 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc12 ZINC000429575613 478157887 /nfs/dbraw/zinc/15/78/87/478157887.db2.gz DORVJUUNMWXWOR-LBPRGKRZSA-N -1 0 346.350 2.855 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000495306748 478168646 /nfs/dbraw/zinc/16/86/46/478168646.db2.gz IQNBZKWDGLTBDA-UHFFFAOYSA-N -1 0 349.387 2.658 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1 ZINC000429726095 478181983 /nfs/dbraw/zinc/18/19/83/478181983.db2.gz QDXMDKBYNBOAHX-VIFPVBQESA-N -1 0 331.378 2.743 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1C ZINC000535053340 478193111 /nfs/dbraw/zinc/19/31/11/478193111.db2.gz XBKCJDIUPVEMCP-UHFFFAOYSA-N -1 0 348.428 2.613 20 30 EFEDRM C=C(CNC(=O)c1ccccc1[N-]S(=O)(=O)CC)c1ccccc1 ZINC000488910944 478198793 /nfs/dbraw/zinc/19/87/93/478198793.db2.gz PUHNWEOSDPYURM-UHFFFAOYSA-N -1 0 344.436 2.891 20 30 EFEDRM COC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000495475113 478205154 /nfs/dbraw/zinc/20/51/54/478205154.db2.gz WBNXGFYQMZKWLM-UQPWFBCGSA-N -1 0 335.360 2.586 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H](C)CC#N)s1 ZINC000519257603 478216742 /nfs/dbraw/zinc/21/67/42/478216742.db2.gz UELWEEKASZLNPM-JTQLQIEISA-N -1 0 333.392 2.840 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cnc(-c3cccnc3)s2)[n-]1 ZINC000535600112 478217751 /nfs/dbraw/zinc/21/77/51/478217751.db2.gz VXTIQZMJLUFJGI-UHFFFAOYSA-N -1 0 338.396 2.528 20 30 EFEDRM O=C(NCC#Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000519333857 478220116 /nfs/dbraw/zinc/22/01/16/478220116.db2.gz JMEXMWPGEURGMZ-UHFFFAOYSA-N -1 0 330.181 2.936 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2cccc(C(=O)OC)c2C#N)s1 ZINC000535922195 478236890 /nfs/dbraw/zinc/23/68/90/478236890.db2.gz KEQMSJFYPIINGN-UHFFFAOYSA-N -1 0 346.437 2.508 20 30 EFEDRM N#C[C@H](Sc1n[n-]c(=NC[C@@H]2CCCO2)s1)c1ccccc1 ZINC000519604973 478239836 /nfs/dbraw/zinc/23/98/36/478239836.db2.gz DVSRIKPMOZXEBT-STQMWFEESA-N -1 0 332.454 2.908 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000562429704 478247730 /nfs/dbraw/zinc/24/77/30/478247730.db2.gz FDCGNGQBNUVSOP-GDBMZVCRSA-N -1 0 348.443 2.698 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC000562431811 478248247 /nfs/dbraw/zinc/24/82/47/478248247.db2.gz UQUVHAXBNOCTBF-JKSUJKDBSA-N -1 0 346.427 2.754 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC000562431809 478248423 /nfs/dbraw/zinc/24/84/23/478248423.db2.gz UQUVHAXBNOCTBF-HOTGVXAUSA-N -1 0 346.427 2.754 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000562450428 478251573 /nfs/dbraw/zinc/25/15/73/478251573.db2.gz PLKLVYVYDIGZFW-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000562458873 478253065 /nfs/dbraw/zinc/25/30/65/478253065.db2.gz HMGRGBAYGVBFCS-BLLLJJGKSA-N -1 0 332.400 2.791 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)nn1CCC#N ZINC000536611923 478262742 /nfs/dbraw/zinc/26/27/42/478262742.db2.gz FAGYBGARPLAOAT-UHFFFAOYSA-N -1 0 330.369 2.652 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000562647190 478297302 /nfs/dbraw/zinc/29/73/02/478297302.db2.gz AUWJSBWNNSUNID-DGCLKSJQSA-N -1 0 348.424 2.917 20 30 EFEDRM O=C([O-])CSCCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000537368546 478299099 /nfs/dbraw/zinc/29/90/99/478299099.db2.gz MWTSXAYNUSILNW-UHFFFAOYSA-N -1 0 339.416 2.634 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCC(F)(F)CC2)cc1C#N ZINC000600255775 478312703 /nfs/dbraw/zinc/31/27/03/478312703.db2.gz QZJHSRFUBXAYNM-UHFFFAOYSA-N -1 0 327.356 2.642 20 30 EFEDRM CC(C)(C)OC(=O)NCC1(C=NN=c2ccc(Cl)n[n-]2)CCC1 ZINC000495785229 478322732 /nfs/dbraw/zinc/32/27/32/478322732.db2.gz IKQIORXBPFCAML-UHFFFAOYSA-N -1 0 339.827 2.645 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@](C)(C#N)C2CCCCC2)c1 ZINC000579583135 478330891 /nfs/dbraw/zinc/33/08/91/478330891.db2.gz FCKCDWANWCVQBW-UUOWRZLLSA-N -1 0 348.468 2.782 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2ccc(C#N)cc2)n1CC1CC1 ZINC000597425265 478344656 /nfs/dbraw/zinc/34/46/56/478344656.db2.gz ATCLHOCCAYCJKU-UHFFFAOYSA-N -1 0 347.426 2.743 20 30 EFEDRM Cc1n[nH]c(C)c1N=c1[n-]nc(-c2ccc(C#N)cc2)n1CC1CC1 ZINC000597427156 478346684 /nfs/dbraw/zinc/34/66/84/478346684.db2.gz OGDJNGBBVGWTDF-UHFFFAOYSA-N -1 0 333.399 2.732 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)[n-]1 ZINC000590822369 478355467 /nfs/dbraw/zinc/35/54/67/478355467.db2.gz SPXSCYTXSZECTJ-DOMZBBRYSA-N -1 0 343.818 2.825 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)[n-]1 ZINC000590819290 478356202 /nfs/dbraw/zinc/35/62/02/478356202.db2.gz FHPFCLYSOTWSJX-NVXWUHKLSA-N -1 0 337.427 2.809 20 30 EFEDRM C#CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000490669393 478367111 /nfs/dbraw/zinc/36/71/11/478367111.db2.gz HENQXNWKFNQKKQ-UHFFFAOYSA-N -1 0 348.449 2.691 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](OC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570492400 478370137 /nfs/dbraw/zinc/37/01/37/478370137.db2.gz FNXNJQBGOXFLDL-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000581378597 478378589 /nfs/dbraw/zinc/37/85/89/478378589.db2.gz ODUCJUFLMYPAMZ-CYBMUJFWSA-N -1 0 326.404 2.580 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000597496612 478379412 /nfs/dbraw/zinc/37/94/12/478379412.db2.gz OSKVAUFVSCRYKR-QGZVFWFLSA-N -1 0 344.802 2.997 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000581473260 478379763 /nfs/dbraw/zinc/37/97/63/478379763.db2.gz XAGSXUISLYBDFL-OIISXLGYSA-N -1 0 346.427 2.653 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000581473261 478379770 /nfs/dbraw/zinc/37/97/70/478379770.db2.gz XAGSXUISLYBDFL-PVAVHDDUSA-N -1 0 346.427 2.653 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1)C(=O)[O-] ZINC000581532906 478380198 /nfs/dbraw/zinc/38/01/98/478380198.db2.gz RRGMWRSPNHMNHJ-UKRRQHHQSA-N -1 0 349.406 2.513 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2cnc3cc(F)c(F)cc3n2)s1 ZINC000522932643 478385135 /nfs/dbraw/zinc/38/51/35/478385135.db2.gz DILBNLXPSARVRS-UHFFFAOYSA-N -1 0 337.380 2.931 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000562944065 478388583 /nfs/dbraw/zinc/38/85/83/478388583.db2.gz AZAQIOORFYKSCR-UHFFFAOYSA-N -1 0 338.820 2.839 20 30 EFEDRM CC(C)(C)c1nc(=NC2CCC(Oc3ncccc3C#N)CC2)[n-]o1 ZINC000525834444 478396824 /nfs/dbraw/zinc/39/68/24/478396824.db2.gz OYHOSRGYUMXOGG-UHFFFAOYSA-N -1 0 341.415 2.858 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)C(=O)[O-] ZINC000562974676 478398919 /nfs/dbraw/zinc/39/89/19/478398919.db2.gz TXSWMSNOFQDILP-KGLIPLIRSA-N -1 0 336.363 2.758 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000490924288 478405478 /nfs/dbraw/zinc/40/54/78/478405478.db2.gz OPBDPPBRHLARDT-UHFFFAOYSA-N -1 0 325.339 2.728 20 30 EFEDRM CC(C)[C@@H](CNc1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC000594540170 478429324 /nfs/dbraw/zinc/42/93/24/478429324.db2.gz CWIXWSZDLYJNDO-MRXNPFEDSA-N -1 0 340.427 2.675 20 30 EFEDRM C[NH+]1CCC(C#N)(NC(=O)c2cc(Cc3ccccc3)ccc2O)CC1 ZINC000539841850 478444893 /nfs/dbraw/zinc/44/48/93/478444893.db2.gz XZIKIWMSIDVEAW-UHFFFAOYSA-N -1 0 349.434 2.701 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2SCCC#N)n1C ZINC000600649017 478455417 /nfs/dbraw/zinc/45/54/17/478455417.db2.gz SRCCKDCGAVJXHF-UHFFFAOYSA-N -1 0 336.442 2.535 20 30 EFEDRM N#Cc1nc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)ccc1Cl ZINC000600678062 478466214 /nfs/dbraw/zinc/46/62/14/478466214.db2.gz KJZQRJBIIPJTAE-UHFFFAOYSA-N -1 0 348.815 2.693 20 30 EFEDRM N#Cc1cnc(N2CCN(c3ccc(C(=O)[O-])s3)CC2)c(Cl)c1 ZINC000600679082 478467378 /nfs/dbraw/zinc/46/73/78/478467378.db2.gz YAUUTCOXGLQEQK-UHFFFAOYSA-N -1 0 348.815 2.693 20 30 EFEDRM CC(C)c1n[n-]c(=NC2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000570913239 478476756 /nfs/dbraw/zinc/47/67/56/478476756.db2.gz LMYOZJNJGGYNEN-UHFFFAOYSA-N -1 0 327.388 2.684 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000594720141 478513387 /nfs/dbraw/zinc/51/33/87/478513387.db2.gz CSZYIMVPGFNJPJ-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)c1 ZINC000594723515 478514319 /nfs/dbraw/zinc/51/43/19/478514319.db2.gz AWHRYVGPKAZUFC-ZDUSSCGKSA-N -1 0 345.424 2.662 20 30 EFEDRM N#Cc1cc2c(nc1[N-]S(=O)(=O)CCc1ccc(F)cc1)CCC2 ZINC000594725830 478515676 /nfs/dbraw/zinc/51/56/76/478515676.db2.gz KUCIUXCOGVOOBZ-UHFFFAOYSA-N -1 0 345.399 2.565 20 30 EFEDRM CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000591338178 478527867 /nfs/dbraw/zinc/52/78/67/478527867.db2.gz SLEVVTVOIJPDLA-DLBZAZTESA-N -1 0 337.427 2.904 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)c(F)c1 ZINC000582276305 478555183 /nfs/dbraw/zinc/55/51/83/478555183.db2.gz NRCFZEPCDYZBGL-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@@H](CC#N)C3)n2)c1 ZINC000597904176 478567305 /nfs/dbraw/zinc/56/73/05/478567305.db2.gz PKAVHEHQVOFHDT-ZDUSSCGKSA-N -1 0 342.374 2.791 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000597909993 478569768 /nfs/dbraw/zinc/56/97/68/478569768.db2.gz SQNVXYCADAKDKT-LBPRGKRZSA-N -1 0 344.802 2.997 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597913383 478571791 /nfs/dbraw/zinc/57/17/91/478571791.db2.gz KWRRJNPZADBKDV-CQSZACIVSA-N -1 0 349.456 2.604 20 30 EFEDRM N#CC1(CS(=O)(=O)N[C@H]2COCc3ccccc32)CCCCC1 ZINC000582409373 478590629 /nfs/dbraw/zinc/59/06/29/478590629.db2.gz ZBTULICEEFLZIG-INIZCTEOSA-N -1 0 334.441 2.651 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3c2OCCC3)s1 ZINC000582463148 478603088 /nfs/dbraw/zinc/60/30/88/478603088.db2.gz RUQCLZJDQGIPRN-JTQLQIEISA-N -1 0 330.413 2.910 20 30 EFEDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000491629243 478605663 /nfs/dbraw/zinc/60/56/63/478605663.db2.gz VEDLISOQJQZSJX-UHFFFAOYSA-N -1 0 349.343 2.676 20 30 EFEDRM C#C[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(F)cc1 ZINC000491663424 478622197 /nfs/dbraw/zinc/62/21/97/478622197.db2.gz MUFOVNYJYJFZNI-VIFPVBQESA-N -1 0 326.303 2.533 20 30 EFEDRM C#C[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1F ZINC000491675786 478627915 /nfs/dbraw/zinc/62/79/15/478627915.db2.gz XTXWIUZASIUPDH-JTQLQIEISA-N -1 0 329.702 2.635 20 30 EFEDRM C#C[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccc(F)cc1 ZINC000491679456 478629473 /nfs/dbraw/zinc/62/94/73/478629473.db2.gz FHVRJSZSUIEPME-KRWDZBQOSA-N -1 0 349.365 2.717 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000563801493 478635578 /nfs/dbraw/zinc/63/55/78/478635578.db2.gz XPMVUDGWAWBCGR-UHFFFAOYSA-N -1 0 343.408 2.641 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000496335248 478648434 /nfs/dbraw/zinc/64/84/34/478648434.db2.gz AKGAJWAGYUHLQX-UHFFFAOYSA-N -1 0 334.376 2.579 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCCC(=NN=c2ccc(Cl)n[n-]2)C1 ZINC000496341211 478648921 /nfs/dbraw/zinc/64/89/21/478648921.db2.gz JKWDTFNXULSNHF-JTQLQIEISA-N -1 0 339.827 2.787 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000491723146 478649486 /nfs/dbraw/zinc/64/94/86/478649486.db2.gz AJXJHFJCQVATAP-UHFFFAOYSA-N -1 0 340.408 2.609 20 30 EFEDRM C=CCO[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000496374102 478652004 /nfs/dbraw/zinc/65/20/04/478652004.db2.gz BNPVNTWTSRWKFU-CQSZACIVSA-N -1 0 338.379 2.668 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OC)cc1Br)C(=O)[O-] ZINC000571748031 478668143 /nfs/dbraw/zinc/66/81/43/478668143.db2.gz NNCJRFZHRFDEFJ-GFCCVEGCSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCCC1(C)C ZINC000571762423 478673519 /nfs/dbraw/zinc/67/35/19/478673519.db2.gz IRLWZPXULACWLP-HNNXBMFYSA-N -1 0 344.411 2.917 20 30 EFEDRM CC(C)(C)OC(=O)NCCCCCN=Nc1ccc(C(=O)[O-])nc1 ZINC000496754208 478690544 /nfs/dbraw/zinc/69/05/44/478690544.db2.gz OSJUTERHJPTKKV-UHFFFAOYSA-N -1 0 336.392 2.873 20 30 EFEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1 ZINC000491841964 478704393 /nfs/dbraw/zinc/70/43/93/478704393.db2.gz DJJQADNITREVJR-BMSUMIBZSA-N -1 0 340.404 2.779 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000542900870 478704723 /nfs/dbraw/zinc/70/47/23/478704723.db2.gz CTXZHNWLBPLRID-UHFFFAOYSA-N -1 0 327.413 2.785 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCc1ccc(CC#N)cc1)CC(=O)[O-] ZINC000595261929 478705947 /nfs/dbraw/zinc/70/59/47/478705947.db2.gz BDFAHEUHSKCSRU-INIZCTEOSA-N -1 0 331.416 2.689 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(=O)[O-] ZINC000595262292 478706379 /nfs/dbraw/zinc/70/63/79/478706379.db2.gz GTRBQBRUUCEZCX-INIZCTEOSA-N -1 0 331.416 2.537 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497020102 478719145 /nfs/dbraw/zinc/71/91/45/478719145.db2.gz UHAQKCAGRZRUIB-HIFRSBDPSA-N -1 0 334.416 2.917 20 30 EFEDRM Cc1ccc(=NN=C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[n-]n1 ZINC000497073703 478724823 /nfs/dbraw/zinc/72/48/23/478724823.db2.gz PZKWSYQDACSEFA-UONOGXRCSA-N -1 0 333.436 2.640 20 30 EFEDRM Cc1ccc(=NN=C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[n-]n1 ZINC000497073701 478724952 /nfs/dbraw/zinc/72/49/52/478724952.db2.gz PZKWSYQDACSEFA-KBPBESRZSA-N -1 0 333.436 2.640 20 30 EFEDRM CC[C@H](NN=C1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000497175045 478735568 /nfs/dbraw/zinc/73/55/68/478735568.db2.gz CQMKWJSMAAJJIW-KBPBESRZSA-N -1 0 347.415 2.813 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000564458116 478746406 /nfs/dbraw/zinc/74/64/06/478746406.db2.gz ODYSFYYIVIENPT-UHFFFAOYSA-N -1 0 345.848 2.913 20 30 EFEDRM Cc1csc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N ZINC000583048416 478750554 /nfs/dbraw/zinc/75/05/54/478750554.db2.gz AMUWMGBFTNDMMQ-UHFFFAOYSA-N -1 0 331.309 2.817 20 30 EFEDRM N#Cc1cccc(CCNC(=O)N=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000500216657 478787449 /nfs/dbraw/zinc/78/74/49/478787449.db2.gz FNKWJNZMYWOUAB-UHFFFAOYSA-N -1 0 349.419 2.863 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)nn1-c1ccccc1 ZINC000572247943 478788338 /nfs/dbraw/zinc/78/83/38/478788338.db2.gz UBMAEDLWHQFGDA-UHFFFAOYSA-N -1 0 332.429 2.862 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC000564703870 478789071 /nfs/dbraw/zinc/78/90/71/478789071.db2.gz UVMKNEOTBXPYIN-UHFFFAOYSA-N -1 0 348.428 2.610 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(OC)c1F ZINC000564731115 478797084 /nfs/dbraw/zinc/79/70/84/478797084.db2.gz KDJYIKRGWPVCQA-UHFFFAOYSA-N -1 0 348.371 2.664 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C)C(C)C ZINC000592351434 478864407 /nfs/dbraw/zinc/86/44/07/478864407.db2.gz VHNUXXBUKJQTBN-MRXNPFEDSA-N -1 0 340.445 2.758 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F)C(C)C ZINC000592350825 478865147 /nfs/dbraw/zinc/86/51/47/478865147.db2.gz HVWQMEBGTHQFBS-CYBMUJFWSA-N -1 0 348.371 2.572 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000572649917 478887951 /nfs/dbraw/zinc/88/79/51/478887951.db2.gz IZZCMTCNFVWPFZ-NSHDSACASA-N -1 0 327.377 2.562 20 30 EFEDRM CC1(C(=O)[O-])CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000592419691 478889220 /nfs/dbraw/zinc/88/92/20/478889220.db2.gz QANRJJSKVRJRCX-UHFFFAOYSA-N -1 0 340.339 2.706 20 30 EFEDRM N#Cc1ccc(NCC2(C(=O)[O-])CCOCC2)c(C(F)(F)F)c1 ZINC000592418837 478889586 /nfs/dbraw/zinc/88/95/86/478889586.db2.gz APWHVEZJTYLOLY-UHFFFAOYSA-N -1 0 328.290 2.870 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3C[C@H](C)C[C@H](C(=O)[O-])C3)c2c1 ZINC000592421187 478890281 /nfs/dbraw/zinc/89/02/81/478890281.db2.gz QDQCSRNXMYMVAC-NEPJUHHUSA-N -1 0 325.368 2.662 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC[C@@H](CC(=O)[O-])C3)c2c1 ZINC000592421744 478890674 /nfs/dbraw/zinc/89/06/74/478890674.db2.gz WVGCGSVFKHXYMV-LBPRGKRZSA-N -1 0 325.368 2.806 20 30 EFEDRM C=CCC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCOCC1 ZINC000565032532 478891119 /nfs/dbraw/zinc/89/11/19/478891119.db2.gz FSMBEKHADARFTI-HXUWFJFHSA-N -1 0 343.423 2.614 20 30 EFEDRM N#Cc1ccc(OC2CCC(Nc3ccc(C(=O)[O-])cn3)CC2)nc1 ZINC000592427472 478891584 /nfs/dbraw/zinc/89/15/84/478891584.db2.gz XPXPLUKQNNQPRS-UHFFFAOYSA-N -1 0 338.367 2.849 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CCCC1 ZINC000565060411 478902715 /nfs/dbraw/zinc/90/27/15/478902715.db2.gz BARGFPCMDRDBNU-UHFFFAOYSA-N -1 0 337.441 2.729 20 30 EFEDRM N#Cc1ccc(C=CC(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000492284865 478910645 /nfs/dbraw/zinc/91/06/45/478910645.db2.gz SSTINPYGDXADPB-BQYQJAHWSA-N -1 0 333.376 2.546 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000601638158 478921258 /nfs/dbraw/zinc/92/12/58/478921258.db2.gz FMMSCCNHCWQCKG-UHFFFAOYSA-N -1 0 338.264 2.531 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000601636978 478921370 /nfs/dbraw/zinc/92/13/70/478921370.db2.gz RAEZHHRIFJSZAB-UHFFFAOYSA-N -1 0 346.394 2.934 20 30 EFEDRM COC(=O)N1CCC([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000492328668 478934298 /nfs/dbraw/zinc/93/42/98/478934298.db2.gz MWYJHINNVIIVJQ-MTUBTWAWSA-N -1 0 335.360 2.586 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000545556125 478942480 /nfs/dbraw/zinc/94/24/80/478942480.db2.gz RWWMYZVNJFBHCK-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@H](C)CC(=O)[O-])cc1OC ZINC000492364122 478951185 /nfs/dbraw/zinc/95/11/85/478951185.db2.gz CTDZQLPIADUHFH-FWPCIQOSSA-N -1 0 333.384 2.500 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000492385703 478961865 /nfs/dbraw/zinc/96/18/65/478961865.db2.gz JTOVASABPJZUIE-ONEGZZNKSA-N -1 0 347.223 2.756 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000601736226 478976931 /nfs/dbraw/zinc/97/69/31/478976931.db2.gz FGWJCTNYAYYKGT-GXSJLCMTSA-N -1 0 326.322 2.888 20 30 EFEDRM Cc1cccc(Br)c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000601739370 478979055 /nfs/dbraw/zinc/97/90/55/478979055.db2.gz SRQCKUYGSDXQAY-UHFFFAOYSA-N -1 0 345.200 2.904 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CCSC[C@@H]2C(=O)[O-])c1 ZINC000584031543 478996760 /nfs/dbraw/zinc/99/67/60/478996760.db2.gz VJEVCOYDOSGXRM-CQSZACIVSA-N -1 0 336.413 2.675 20 30 EFEDRM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)o1 ZINC000492577613 479007968 /nfs/dbraw/zinc/00/79/68/479007968.db2.gz VBACMKZNGIOHAU-LJXYTEIVSA-N -1 0 348.424 2.556 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1C)C(=O)[O-] ZINC000573195457 479011034 /nfs/dbraw/zinc/01/10/34/479011034.db2.gz MHMRWKHJKLTBMF-MRXNPFEDSA-N -1 0 341.411 2.697 20 30 EFEDRM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1ccncn1 ZINC000546153155 479012095 /nfs/dbraw/zinc/01/20/95/479012095.db2.gz NTURCAAJUHVZRT-MRXNPFEDSA-N -1 0 331.379 2.828 20 30 EFEDRM N#CCCn1cc(/C=C/C(=O)NOC2CCOCC2)c2ccccc21 ZINC000492702013 479014282 /nfs/dbraw/zinc/01/42/82/479014282.db2.gz FIOCSHSHJCVCQK-VOTSOKGWSA-N -1 0 339.395 2.795 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000492996978 479029620 /nfs/dbraw/zinc/02/96/20/479029620.db2.gz WHPZRLWQYBYEAB-CFRMROPGSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C\c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000492996979 479029648 /nfs/dbraw/zinc/02/96/48/479029648.db2.gz WHPZRLWQYBYEAB-FPAJZGIOSA-N -1 0 333.384 2.643 20 30 EFEDRM CC=CC=CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000493029021 479032179 /nfs/dbraw/zinc/03/21/79/479032179.db2.gz USESCRRIKKMWLW-SBLDJATRSA-N -1 0 339.395 2.604 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccc(OC)c(OCC)c1)C(=O)[O-] ZINC000493118294 479035649 /nfs/dbraw/zinc/03/56/49/479035649.db2.gz LSYUZXCLVDBOMP-RBJHHQRMSA-N -1 0 333.384 2.643 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCc3cc(F)ccc32)[n-]1 ZINC000598816792 479037367 /nfs/dbraw/zinc/03/73/67/479037367.db2.gz AQDAZZRTYQUYRZ-OAHLLOKOSA-N -1 0 326.375 2.739 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1OC ZINC000493220403 479040064 /nfs/dbraw/zinc/04/00/64/479040064.db2.gz JURLVSWXRIXFSZ-BZDCKHMYSA-N -1 0 345.395 2.595 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(OCC)cc2)CC1 ZINC000493338755 479045364 /nfs/dbraw/zinc/04/53/64/479045364.db2.gz RZMMAKDVKLGCDQ-YFHOEESVSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(OCC)cc2)CC1 ZINC000493338754 479045492 /nfs/dbraw/zinc/04/54/92/479045492.db2.gz RZMMAKDVKLGCDQ-JXMROGBWSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000493531320 479055084 /nfs/dbraw/zinc/05/50/84/479055084.db2.gz UUOVITPTSTYTRM-ONEGZZNKSA-N -1 0 345.342 2.672 20 30 EFEDRM C[C@@H]1CC[C@](C)(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)C1(C)C ZINC000493555866 479056073 /nfs/dbraw/zinc/05/60/73/479056073.db2.gz MWRUIAPPSZYWKC-XCUOTZKBSA-N -1 0 326.462 2.755 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[O-])c(NS(=O)(=O)CC2(C#N)CC2)c1 ZINC000565668237 479059294 /nfs/dbraw/zinc/05/92/94/479059294.db2.gz UGNXQRBUVODEEN-UHFFFAOYSA-N -1 0 336.413 2.728 20 30 EFEDRM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)sc1Cl ZINC000595973227 479086192 /nfs/dbraw/zinc/08/61/92/479086192.db2.gz HPQAWEPSSUKNGF-WDEREUQCSA-N -1 0 333.800 2.973 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3C[C@H](C(=O)[O-])C[C@H]3O)c2c1 ZINC000595979049 479087639 /nfs/dbraw/zinc/08/76/39/479087639.db2.gz PUTUYUKDYJQPNI-CUOATXAZSA-N -1 0 345.786 2.704 20 30 EFEDRM C=CC1CCN(C(=O)c2cc(C(=O)[O-])n(-c3ccccc3)n2)CC1 ZINC000566220101 479088960 /nfs/dbraw/zinc/08/89/60/479088960.db2.gz PNTUVTPFJIMDMT-UHFFFAOYSA-N -1 0 325.368 2.609 20 30 EFEDRM COCCOCc1cccc(-c2cccc(OCC(=O)[O-])c2C#N)c1 ZINC000514949253 479097519 /nfs/dbraw/zinc/09/75/19/479097519.db2.gz BSGXJXZMOOGAFF-UHFFFAOYSA-N -1 0 341.363 2.852 20 30 EFEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000567095224 479102361 /nfs/dbraw/zinc/10/23/61/479102361.db2.gz MHUKVMYLVUYMPG-JTQLQIEISA-N -1 0 338.245 2.837 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)n1 ZINC000601976533 479104957 /nfs/dbraw/zinc/10/49/57/479104957.db2.gz DXIUGQMJTNTWOT-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)sn1 ZINC000601974563 479105365 /nfs/dbraw/zinc/10/53/65/479105365.db2.gz CZNPGCXMQNCZRB-UHFFFAOYSA-N -1 0 337.426 2.935 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)n1 ZINC000601977161 479105912 /nfs/dbraw/zinc/10/59/12/479105912.db2.gz XJDLIIRPNARDNT-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)n1 ZINC000601977228 479106599 /nfs/dbraw/zinc/10/65/99/479106599.db2.gz YSPZZTZKBRAXCW-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc2cc(F)ccc2s1 ZINC000592973550 479112382 /nfs/dbraw/zinc/11/23/82/479112382.db2.gz AONAHXCZLDGWTM-SNVBAGLBSA-N -1 0 337.339 2.968 20 30 EFEDRM N#CCC1(CNC(=O)C[C@@]2(C(=O)[O-])CCCc3ccccc32)CC1 ZINC000601985537 479112409 /nfs/dbraw/zinc/11/24/09/479112409.db2.gz ZUTQXHLJPFXSSU-IBGZPJMESA-N -1 0 326.396 2.545 20 30 EFEDRM CC(C)C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(=O)[O-] ZINC000548557892 479127451 /nfs/dbraw/zinc/12/74/51/479127451.db2.gz ZKCKQISBZIDWNM-AWEZNQCLSA-N -1 0 344.477 2.517 20 30 EFEDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000602003798 479129960 /nfs/dbraw/zinc/12/99/60/479129960.db2.gz WYMQYPCKDIPEGU-ZETOZRRWSA-N -1 0 332.425 2.647 20 30 EFEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc2ccccc2[nH]1 ZINC000549085677 479138243 /nfs/dbraw/zinc/13/82/43/479138243.db2.gz GZDXJPDVLIAVKS-GFCCVEGCSA-N -1 0 336.351 2.935 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000569654225 479147428 /nfs/dbraw/zinc/14/74/28/479147428.db2.gz RKLROIKGCIHNME-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000569683856 479155917 /nfs/dbraw/zinc/15/59/17/479155917.db2.gz OLNJJWFVNIARAZ-YPMHNXCESA-N -1 0 344.371 2.516 20 30 EFEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cc1 ZINC000610725164 479168341 /nfs/dbraw/zinc/16/83/41/479168341.db2.gz JRNLNHFBMXUKDH-UHFFFAOYSA-N -1 0 335.454 2.826 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000569787920 479175084 /nfs/dbraw/zinc/17/50/84/479175084.db2.gz UFZAQVHYPHMABT-GFCCVEGCSA-N -1 0 346.305 2.569 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)C(=O)[O-] ZINC000556708996 479180041 /nfs/dbraw/zinc/18/00/41/479180041.db2.gz KFMAYPGTOZXCHY-IHRRRGAJSA-N -1 0 326.437 2.546 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000556709688 479181180 /nfs/dbraw/zinc/18/11/80/479181180.db2.gz UXEDOVVVZTXIGG-BBWFWOEESA-N -1 0 346.427 2.710 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000610845792 479205657 /nfs/dbraw/zinc/20/56/57/479205657.db2.gz FHTCMAMBXXKUTH-CYBMUJFWSA-N -1 0 330.384 2.571 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000569928435 479211295 /nfs/dbraw/zinc/21/12/95/479211295.db2.gz OJZAEUVPIONRNP-CYBMUJFWSA-N -1 0 342.342 2.549 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2CCCc2ccccc2)[n-]1 ZINC000610876608 479219703 /nfs/dbraw/zinc/21/97/03/479219703.db2.gz CGFBWYQTNRQSJR-KRWDZBQOSA-N -1 0 337.427 2.733 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1C#N ZINC000610927694 479234436 /nfs/dbraw/zinc/23/44/36/479234436.db2.gz FZLUNNWZXJYEFD-CABCVRRESA-N -1 0 328.368 2.951 20 30 EFEDRM N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])c(F)c1 ZINC000610945962 479240228 /nfs/dbraw/zinc/24/02/28/479240228.db2.gz FNVZJZCTWFZBKC-BQYQJAHWSA-N -1 0 349.321 2.662 20 30 EFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593212970 479242987 /nfs/dbraw/zinc/24/29/87/479242987.db2.gz HHQBCMDKEULJGZ-UHFFFAOYSA-N -1 0 341.389 2.675 20 30 EFEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)s1 ZINC000610968494 479246182 /nfs/dbraw/zinc/24/61/82/479246182.db2.gz WSUVXWGVYWKNJT-UHFFFAOYSA-N -1 0 327.456 2.596 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000574253470 479248408 /nfs/dbraw/zinc/24/84/08/479248408.db2.gz DLPVLWWEIODUOV-UONOGXRCSA-N -1 0 336.363 2.758 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000574253469 479248645 /nfs/dbraw/zinc/24/86/45/479248645.db2.gz DLPVLWWEIODUOV-KGLIPLIRSA-N -1 0 336.363 2.758 20 30 EFEDRM Cc1n[nH]c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC000610989488 479253327 /nfs/dbraw/zinc/25/33/27/479253327.db2.gz OXZGXDKDJVAQAW-VIFPVBQESA-N -1 0 325.155 2.725 20 30 EFEDRM Cc1cccc(CO[C@@H](C)C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1 ZINC000602282199 479269320 /nfs/dbraw/zinc/26/93/20/479269320.db2.gz NFHGTFJKVVMKPU-AWEZNQCLSA-N -1 0 340.427 2.784 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000603162625 479285284 /nfs/dbraw/zinc/28/52/84/479285284.db2.gz FKLXOYZXZKPITE-GWCFXTLKSA-N -1 0 343.412 2.566 20 30 EFEDRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000611127414 479288623 /nfs/dbraw/zinc/28/86/23/479288623.db2.gz APZBLNYSYAWZLR-NSHDSACASA-N -1 0 346.460 2.827 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000596447820 479298471 /nfs/dbraw/zinc/29/84/71/479298471.db2.gz RZGWZELCTZMUAG-GFCCVEGCSA-N -1 0 327.413 2.785 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCCCCc2ccc(Cl)s2)[n-]1 ZINC000585797152 479330085 /nfs/dbraw/zinc/33/00/85/479330085.db2.gz BRUZMWVXOQSJJK-UHFFFAOYSA-N -1 0 337.836 2.573 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000574775220 479347829 /nfs/dbraw/zinc/34/78/29/479347829.db2.gz ZZRKWECQQZSYNW-CZUORRHYSA-N -1 0 342.399 2.652 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)nn1CCC#N ZINC000603419329 479380090 /nfs/dbraw/zinc/38/00/90/479380090.db2.gz LYRSCWUHPLWLDH-CABCVRRESA-N -1 0 348.403 2.542 20 30 EFEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000611444304 479383089 /nfs/dbraw/zinc/38/30/89/479383089.db2.gz LRJXIDBBJCVHLR-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000575075264 479399324 /nfs/dbraw/zinc/39/93/24/479399324.db2.gz QOBCIENODHQDMO-NSHDSACASA-N -1 0 333.171 2.771 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2conc2C(C)C)n1 ZINC000599724498 479408054 /nfs/dbraw/zinc/40/80/54/479408054.db2.gz JBXSNHNCZPGULN-SECBINFHSA-N -1 0 333.369 2.921 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccnc2Nc2ccccc2F)c1C#N ZINC000588716164 479435390 /nfs/dbraw/zinc/43/53/90/479435390.db2.gz WEJQZZZAVNIIDA-UHFFFAOYSA-N -1 0 336.330 2.542 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000588767576 479440176 /nfs/dbraw/zinc/44/01/76/479440176.db2.gz YTASNBIEDFXGSK-UHFFFAOYSA-N -1 0 325.759 2.968 20 30 EFEDRM C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1 ZINC000588848414 479449174 /nfs/dbraw/zinc/44/91/74/479449174.db2.gz BRDBLEJGBAGVAU-LBPRGKRZSA-N -1 0 342.380 2.758 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000575805443 479477231 /nfs/dbraw/zinc/47/72/31/479477231.db2.gz MBEPXTYXBNDNDR-YJNKXOJESA-N -1 0 326.437 2.689 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000618602926 479511444 /nfs/dbraw/zinc/51/14/44/479511444.db2.gz YDNFWIIUFITZTI-UHFFFAOYSA-N -1 0 348.236 2.685 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]c1C(F)(F)F ZINC000618606808 479513015 /nfs/dbraw/zinc/51/30/15/479513015.db2.gz ZJSCESLFODXKHG-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593953360 479518137 /nfs/dbraw/zinc/51/81/37/479518137.db2.gz VNACAACUHUCZAT-JIMOISOXSA-N -1 0 333.363 2.954 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593962051 479521986 /nfs/dbraw/zinc/52/19/86/479521986.db2.gz PMDPQNBYBMMPOF-WCFLWFBJSA-N -1 0 345.399 2.824 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593961749 479522326 /nfs/dbraw/zinc/52/23/26/479522326.db2.gz LDDLPYATARBSRT-TVYUQYBPSA-N -1 0 333.363 2.954 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589557172 479539357 /nfs/dbraw/zinc/53/93/57/479539357.db2.gz MGMLGVDJJSGNLL-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589588794 479541769 /nfs/dbraw/zinc/54/17/69/479541769.db2.gz IKWZVKVMNWKSMF-UHFFFAOYSA-N -1 0 334.401 2.525 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000594003171 479541770 /nfs/dbraw/zinc/54/17/70/479541770.db2.gz IHYXKDQDWXBEHC-SNVBAGLBSA-N -1 0 334.301 2.606 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC000589588995 479542153 /nfs/dbraw/zinc/54/21/53/479542153.db2.gz RUEOUWSLJHMXRY-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000589591980 479542220 /nfs/dbraw/zinc/54/22/20/479542220.db2.gz AUFXTBKYDKEQAZ-UHFFFAOYSA-N -1 0 342.424 2.783 20 30 EFEDRM CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597072986 479557778 /nfs/dbraw/zinc/55/77/78/479557778.db2.gz CVDBABWQAWSKSP-NSHDSACASA-N -1 0 334.326 2.524 20 30 EFEDRM CC(C)CCOc1ccc(=NC(=O)NCC(C)(C)CCC#N)[n-]n1 ZINC000597087902 479565151 /nfs/dbraw/zinc/56/51/51/479565151.db2.gz WMYSJNARKWTMMF-UHFFFAOYSA-N -1 0 333.436 2.775 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s[n-]1 ZINC000618752567 479580307 /nfs/dbraw/zinc/58/03/07/479580307.db2.gz RWNRSKDEDANDJB-ZDUSSCGKSA-N -1 0 341.440 2.938 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000576561687 479581284 /nfs/dbraw/zinc/58/12/84/479581284.db2.gz YVVDBBNIFDRZBR-NSHDSACASA-N -1 0 339.461 2.702 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000577039069 479586969 /nfs/dbraw/zinc/58/69/69/479586969.db2.gz OAQYLAUCSZOGGD-GFCCVEGCSA-N -1 0 326.780 2.567 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000578129863 479602695 /nfs/dbraw/zinc/60/26/95/479602695.db2.gz GXGJJQRCKOUQNB-LLVKDONJSA-N -1 0 338.212 2.615 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1c(F)cccc1OC(F)F)C(=O)[O-] ZINC000578221272 479603494 /nfs/dbraw/zinc/60/34/94/479603494.db2.gz JVJLVLVNVOWNSK-LLVKDONJSA-N -1 0 346.305 2.646 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000578511250 479606694 /nfs/dbraw/zinc/60/66/94/479606694.db2.gz LSDMTZOAIALDIO-GPMSIDNRSA-N -1 0 331.412 2.516 20 30 EFEDRM O=C([O-])C1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000578774771 479609963 /nfs/dbraw/zinc/60/99/63/479609963.db2.gz PCPGIVNZVAJZNZ-UHFFFAOYSA-N -1 0 339.313 2.818 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000618893217 479626249 /nfs/dbraw/zinc/62/62/49/479626249.db2.gz YVOKUPKTPLWXSE-QGZVFWFLSA-N -1 0 344.374 2.867 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000612321166 479642540 /nfs/dbraw/zinc/64/25/40/479642540.db2.gz OTECIFBUZCDCNG-KJPDOMRESA-N -1 0 343.412 2.881 20 30 EFEDRM CC(C)c1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c(C(C)C)c1 ZINC000578987546 479643635 /nfs/dbraw/zinc/64/36/35/479643635.db2.gz FIOMTSNUVVYXHM-UHFFFAOYSA-N -1 0 339.395 2.538 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1[O-] ZINC000615423292 479673015 /nfs/dbraw/zinc/67/30/15/479673015.db2.gz FDXFRHAPNHNIRJ-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM CC(C)C[C@@H](C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000619111564 479689758 /nfs/dbraw/zinc/68/97/58/479689758.db2.gz RHLLZDLKZMNCRE-LBPRGKRZSA-N -1 0 332.791 2.899 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000621566578 479701132 /nfs/dbraw/zinc/70/11/32/479701132.db2.gz UNYOOBMPVKGGQY-AWEZNQCLSA-N -1 0 333.384 2.729 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CC(=O)[O-])C2CCCC2)c(OC)c1 ZINC000621573358 479704275 /nfs/dbraw/zinc/70/42/75/479704275.db2.gz WJFKSZORLJYTEO-UHFFFAOYSA-N -1 0 347.411 2.658 20 30 EFEDRM CCOCCn1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000621711834 479762445 /nfs/dbraw/zinc/76/24/45/479762445.db2.gz IURZYYAUYSQVTF-CYBMUJFWSA-N -1 0 332.429 2.990 20 30 EFEDRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462088 479799767 /nfs/dbraw/zinc/79/97/67/479799767.db2.gz ZSLUEONINLOCJQ-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619462187 479799931 /nfs/dbraw/zinc/79/99/31/479799931.db2.gz MRLHBCLPXFBQCI-UHFFFAOYSA-N -1 0 330.413 2.641 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000619461884 479800180 /nfs/dbraw/zinc/80/01/80/479800180.db2.gz ZKGFJQQESRZXHU-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462504 479800211 /nfs/dbraw/zinc/80/02/11/479800211.db2.gz CQGXRJSDYRWART-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C1CC1 ZINC000619463217 479801144 /nfs/dbraw/zinc/80/11/44/479801144.db2.gz SQTLYVJGDQPIMR-UHFFFAOYSA-N -1 0 330.413 2.647 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619470342 479804598 /nfs/dbraw/zinc/80/45/98/479804598.db2.gz JUWYCJQTGHXQMY-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619470315 479804663 /nfs/dbraw/zinc/80/46/63/479804663.db2.gz IGRXGJIATIXPCE-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000616020622 479810114 /nfs/dbraw/zinc/81/01/14/479810114.db2.gz YKGVZZFHHYCPPE-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)[n-]1 ZINC000619536987 479822098 /nfs/dbraw/zinc/82/20/98/479822098.db2.gz PHEVLZGSRQXTTR-UHFFFAOYSA-N -1 0 341.802 2.688 20 30 EFEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)s1)CCC2 ZINC000619547075 479823906 /nfs/dbraw/zinc/82/39/06/479823906.db2.gz UGDGBOUMAYZWES-UHFFFAOYSA-N -1 0 334.422 2.918 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)[n-]1 ZINC000619662403 479851975 /nfs/dbraw/zinc/85/19/75/479851975.db2.gz SDZUNGYAZYODTM-MRXNPFEDSA-N -1 0 337.427 2.939 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(OC)c1 ZINC000610056570 480233308 /nfs/dbraw/zinc/23/33/08/480233308.db2.gz YQIOGMDNMLTWOY-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(C#N)c2)s1 ZINC000610317670 480279982 /nfs/dbraw/zinc/27/99/82/480279982.db2.gz VJQORLYNDLLGJK-LLVKDONJSA-N -1 0 329.429 2.913 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H](C)COC ZINC000617583783 480288591 /nfs/dbraw/zinc/28/85/91/480288591.db2.gz PBTKRHCRJYGTCL-GFCCVEGCSA-N -1 0 349.818 2.894 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)[n-]1 ZINC000610561622 480336671 /nfs/dbraw/zinc/33/66/71/480336671.db2.gz ZDAODQABFDVNTL-AWEZNQCLSA-N -1 0 329.791 2.736 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)[n-]1 ZINC000610561521 480336694 /nfs/dbraw/zinc/33/66/94/480336694.db2.gz LXPAPRVBFPZMPT-MRXNPFEDSA-N -1 0 341.390 2.906 20 30 EFEDRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610561882 480336815 /nfs/dbraw/zinc/33/68/15/480336815.db2.gz FFHWNRFLMXGKGN-QGZVFWFLSA-N -1 0 339.443 2.897 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000610560480 480336947 /nfs/dbraw/zinc/33/69/47/480336947.db2.gz DLEBDSAEXZCOCI-GOSISDBHSA-N -1 0 345.406 2.819 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC(c2cccs2)c2cccs2)[n-]1 ZINC000610564347 480338178 /nfs/dbraw/zinc/33/81/78/480338178.db2.gz NPUGPPMXVWBAKS-UHFFFAOYSA-N -1 0 343.437 2.748 20 30 EFEDRM Cc1cccc(C2(CNC(=O)N=c3[n-]n(C)cc3C#N)CCCC2)c1 ZINC000610563958 480338790 /nfs/dbraw/zinc/33/87/90/480338790.db2.gz BYAOSLUOOPZISA-UHFFFAOYSA-N -1 0 337.427 2.656 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc3ccnn32)s1 ZINC000626423165 480352440 /nfs/dbraw/zinc/35/24/40/480352440.db2.gz JOWGSUCVKLUNAD-SNVBAGLBSA-N -1 0 325.397 2.973 20 30 EFEDRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N=c1[n-]n(C)cc1C#N ZINC000610698432 480369132 /nfs/dbraw/zinc/36/91/32/480369132.db2.gz BOPRYVWNRGGTTD-CYBMUJFWSA-N -1 0 341.415 2.521 20 30 EFEDRM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610711231 480370912 /nfs/dbraw/zinc/37/09/12/480370912.db2.gz AYOKHHITHPWTIK-NVXWUHKLSA-N -1 0 348.374 2.845 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634834106 480568122 /nfs/dbraw/zinc/56/81/22/480568122.db2.gz VDRVCJLBHORJGR-FMEYXAORSA-N -1 0 349.402 2.656 20 30 EFEDRM C=CCC1(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CCOCC1 ZINC000618248737 480586616 /nfs/dbraw/zinc/58/66/16/480586616.db2.gz SVKRFCDCEGNNBD-UHFFFAOYSA-N -1 0 345.374 2.572 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000630182650 480596030 /nfs/dbraw/zinc/59/60/30/480596030.db2.gz OUOFINJXJKJNLN-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)COCCNC(=O)[C@@](CC)(CC(=O)[O-])c1ccc(C)cc1 ZINC000634909243 480624837 /nfs/dbraw/zinc/62/48/37/480624837.db2.gz BCXNTINDMMVPOK-IBGZPJMESA-N -1 0 333.428 2.826 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2nc(CC(C)C)[n-]s2)cc1OC ZINC000618345958 480627472 /nfs/dbraw/zinc/62/74/72/480627472.db2.gz CNIUKCJMUIINGS-UHFFFAOYSA-N -1 0 347.440 2.984 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630254959 480634369 /nfs/dbraw/zinc/63/43/69/480634369.db2.gz CPRFNHDDLROGRX-SNVBAGLBSA-N -1 0 343.326 2.948 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630302678 480661844 /nfs/dbraw/zinc/66/18/44/480661844.db2.gz HAXZPGYEPZUEJY-ZENOOKHLSA-N -1 0 349.452 2.963 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC000630317483 480667812 /nfs/dbraw/zinc/66/78/12/480667812.db2.gz QJALSORMSZJEOS-MRXNPFEDSA-N -1 0 327.380 3.000 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2onc(C)c21)C(=O)[O-] ZINC000630317996 480668771 /nfs/dbraw/zinc/66/87/71/480668771.db2.gz WJMZLIYZSSNJLZ-ZDUSSCGKSA-N -1 0 329.356 2.558 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000630318121 480668908 /nfs/dbraw/zinc/66/89/08/480668908.db2.gz CXMYJDNTKTZQNK-GFCCVEGCSA-N -1 0 339.775 2.651 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C)c21)C(=O)[O-] ZINC000630317995 480668950 /nfs/dbraw/zinc/66/89/50/480668950.db2.gz WJMZLIYZSSNJLZ-CYBMUJFWSA-N -1 0 329.356 2.558 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000630320216 480669920 /nfs/dbraw/zinc/66/99/20/480669920.db2.gz RDGAUQVSJSVSPY-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)[O-] ZINC000630320217 480669982 /nfs/dbraw/zinc/66/99/82/480669982.db2.gz RDGAUQVSJSVSPY-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630322418 480670684 /nfs/dbraw/zinc/67/06/84/480670684.db2.gz SBNBJVCAPHNAEN-CXAGYDPISA-N -1 0 326.396 2.949 20 30 EFEDRM C=CCc1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc(OC)c1OC ZINC000630326191 480672593 /nfs/dbraw/zinc/67/25/93/480672593.db2.gz VPKLVWUXKKOEHR-UHFFFAOYSA-N -1 0 345.395 2.654 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)N[C@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000630471942 480732696 /nfs/dbraw/zinc/73/26/96/480732696.db2.gz XFTRRJGQRKJZCQ-CZUORRHYSA-N -1 0 334.416 2.735 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC000630567422 480783414 /nfs/dbraw/zinc/78/34/14/480783414.db2.gz HNPZHTZHALLYKX-GOSISDBHSA-N -1 0 332.400 2.760 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000645986979 481005990 /nfs/dbraw/zinc/00/59/90/481005990.db2.gz WSZYDWZPJSFEFA-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM C=CCC1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC000653327274 481228602 /nfs/dbraw/zinc/22/86/02/481228602.db2.gz URZOXJBZQPNOSI-HOTGVXAUSA-N -1 0 329.396 2.789 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)C1 ZINC000659170344 481247028 /nfs/dbraw/zinc/24/70/28/481247028.db2.gz TXAAPJGNRPJKOB-AWEZNQCLSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c(OC)c1 ZINC000659232609 481291945 /nfs/dbraw/zinc/29/19/45/481291945.db2.gz CCBKNJJDUBXNCC-APWZRJJASA-N -1 0 347.411 2.562 20 30 EFEDRM C=C(C)COc1cc(CNCc2nocc2C(=O)[O-])ccc1OC ZINC000653507904 481293003 /nfs/dbraw/zinc/29/30/03/481293003.db2.gz UZLCEHAFDAASJU-UHFFFAOYSA-N -1 0 332.356 2.626 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000659236287 481296697 /nfs/dbraw/zinc/29/66/97/481296697.db2.gz SAGLSYZXULAQSC-MAUKXSAKSA-N -1 0 333.384 2.633 20 30 EFEDRM CCOc1cnc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000643777968 481587905 /nfs/dbraw/zinc/58/79/05/481587905.db2.gz AFDALVPAPWDGHH-SNVBAGLBSA-N -1 0 336.273 2.779 20 30 EFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)C(=O)[O-] ZINC000647138333 481659700 /nfs/dbraw/zinc/65/97/00/481659700.db2.gz RSYCEPNAPXKMPY-SECBINFHSA-N -1 0 344.180 2.824 20 30 EFEDRM C=CCC1(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CCCC1 ZINC000665561726 481937423 /nfs/dbraw/zinc/93/74/23/481937423.db2.gz UMELKNWQJSTQLK-UHFFFAOYSA-N -1 0 327.384 2.896 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc(OC)c1OC ZINC000663067502 482054522 /nfs/dbraw/zinc/05/45/22/482054522.db2.gz QERUUGGWRXNLOG-LJQANCHMSA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)C(=O)[O-] ZINC000654797115 482054903 /nfs/dbraw/zinc/05/49/03/482054903.db2.gz OKKPCDZZBRPGHR-NSHDSACASA-N -1 0 338.314 2.972 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cccc(OCC(F)F)c1)C(=O)[O-] ZINC000654800225 482056516 /nfs/dbraw/zinc/05/65/16/482056516.db2.gz MGUSPRSOVRWUCR-ZDUSSCGKSA-N -1 0 342.342 2.549 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000654817917 482063786 /nfs/dbraw/zinc/06/37/86/482063786.db2.gz XHZXQLIDDPDULH-OWCLPIDISA-N -1 0 332.400 2.625 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)C(=O)[O-] ZINC000649533448 482118218 /nfs/dbraw/zinc/11/82/18/482118218.db2.gz GWWOKKBDRDATNS-OWCLPIDISA-N -1 0 332.400 2.625 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@@H](c2ccccc2)O1)C(=O)[O-] ZINC000649533447 482118318 /nfs/dbraw/zinc/11/83/18/482118318.db2.gz GWWOKKBDRDATNS-JYJNAYRXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425300381 534323257 /nfs/dbraw/zinc/32/32/57/534323257.db2.gz LDKWUWRHPZRVFN-CABCVRRESA-N -1 0 327.384 2.841 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000414340611 534418074 /nfs/dbraw/zinc/41/80/74/534418074.db2.gz NVXGOHLLCPDVMI-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C#N ZINC000263135961 519780707 /nfs/dbraw/zinc/78/07/07/519780707.db2.gz NQGLCEVWNJCYTI-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000263135958 519780733 /nfs/dbraw/zinc/78/07/33/519780733.db2.gz NQGLCEVWNJCYTI-JSGCOSHPSA-N -1 0 345.399 2.920 20 30 EFEDRM C=C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)CC1 ZINC000264736465 534461010 /nfs/dbraw/zinc/46/10/10/534461010.db2.gz FUWJGFHQTOJGEP-UHFFFAOYSA-N -1 0 348.346 2.740 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263130310 520868189 /nfs/dbraw/zinc/86/81/89/520868189.db2.gz NANRDWPDHCLQJP-YPMHNXCESA-N -1 0 331.372 2.531 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414097401 534598175 /nfs/dbraw/zinc/59/81/75/534598175.db2.gz RUHXOUOEUXXSQL-JKIFEVAISA-N -1 0 337.803 2.532 20 30 EFEDRM C=CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000262763658 534609622 /nfs/dbraw/zinc/60/96/22/534609622.db2.gz KPPCEWHGUFRYKP-AWEZNQCLSA-N -1 0 333.384 2.571 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000069677628 534618594 /nfs/dbraw/zinc/61/85/94/534618594.db2.gz JZRDLTYCBFZOOA-UHFFFAOYSA-N -1 0 335.360 2.704 20 30 EFEDRM C=CCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Br)c1 ZINC000263166438 534624839 /nfs/dbraw/zinc/62/48/39/534624839.db2.gz YIWZUMMXAHATRH-ZDUSSCGKSA-N -1 0 342.189 2.666 20 30 EFEDRM C=CCCC1(C(=O)N=c2cc(C)n3[n-]c(C(F)(F)F)nc3n2)CC1 ZINC000361502935 534632195 /nfs/dbraw/zinc/63/21/95/534632195.db2.gz ZVHQWLIYBFMDNU-UHFFFAOYSA-N -1 0 339.321 2.558 20 30 EFEDRM C=C[C@H](CC(=O)NC[C@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000262954027 534674608 /nfs/dbraw/zinc/67/46/08/534674608.db2.gz NEJJWXQPAVPTEI-PBHICJAKSA-N -1 0 331.412 2.590 20 30 EFEDRM COc1ccc(C)cc1C=CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042322754 523799471 /nfs/dbraw/zinc/79/94/71/523799471.db2.gz HRCZJWVTISWUPD-SOFGYWHQSA-N -1 0 332.381 2.757 20 30 EFEDRM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120548948 524438521 /nfs/dbraw/zinc/43/85/21/524438521.db2.gz XWERKHUNGOXUNQ-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OC)cc1OCC(C)C)C(=O)[O-] ZINC000263537983 534792792 /nfs/dbraw/zinc/79/27/92/534792792.db2.gz PJUJUCRAVXCTFX-OAHLLOKOSA-N -1 0 335.400 2.879 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1C#N ZINC000180358260 524807844 /nfs/dbraw/zinc/80/78/44/524807844.db2.gz SLMQPGAYNIZHIJ-UHFFFAOYSA-N -1 0 330.365 2.705 20 30 EFEDRM C=CCOCCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000262673332 534871036 /nfs/dbraw/zinc/87/10/36/534871036.db2.gz XROXFIGIQRGODO-UHFFFAOYSA-N -1 0 325.792 2.736 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000263057283 534880186 /nfs/dbraw/zinc/88/01/86/534880186.db2.gz QIXYQTPDPFLOHC-NSHDSACASA-N -1 0 349.330 2.684 20 30 EFEDRM COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000058150984 525760690 /nfs/dbraw/zinc/76/06/90/525760690.db2.gz URQVJTPTIUYYOH-UHFFFAOYSA-N -1 0 340.788 2.578 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262154889 525959981 /nfs/dbraw/zinc/95/99/81/525959981.db2.gz OVIHGKIBVOFZOQ-IMJJTQAJSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237681767 525961046 /nfs/dbraw/zinc/96/10/46/525961046.db2.gz XURAFPMYXGXABA-ZDUSSCGKSA-N -1 0 338.363 2.981 20 30 EFEDRM CSc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120557014 526178869 /nfs/dbraw/zinc/17/88/69/526178869.db2.gz CNTRVJYEYYRBHE-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1 ZINC000263207856 526184139 /nfs/dbraw/zinc/18/41/39/526184139.db2.gz YOTRIHKIYLWPHT-VXGBXAGGSA-N -1 0 341.289 2.594 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000077966290 526195383 /nfs/dbraw/zinc/19/53/83/526195383.db2.gz FWXMMTPKNBCDJI-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCOc2ccccc2)cc1C#N ZINC000074344562 526214861 /nfs/dbraw/zinc/21/48/61/526214861.db2.gz KEYNCDTUKRIWJK-UHFFFAOYSA-N -1 0 343.408 2.532 20 30 EFEDRM COc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000048529327 526226677 /nfs/dbraw/zinc/22/66/77/526226677.db2.gz MVCSYUWFVKTMKH-UHFFFAOYSA-N -1 0 341.410 2.789 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc2ccccc2o1 ZINC000041542119 526507161 /nfs/dbraw/zinc/50/71/61/526507161.db2.gz NNEADJWXBMIHON-CQSZACIVSA-N -1 0 346.346 2.847 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000120508154 526530693 /nfs/dbraw/zinc/53/06/93/526530693.db2.gz QRKBUQOMUBIFFL-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160803641 526539878 /nfs/dbraw/zinc/53/98/78/526539878.db2.gz WXZOLMMILJLJHG-OAHLLOKOSA-N -1 0 332.444 2.825 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1F ZINC000194610174 526573389 /nfs/dbraw/zinc/57/33/89/526573389.db2.gz PIELQBCMMGFVFQ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)ccc1Cl ZINC000177675441 526575072 /nfs/dbraw/zinc/57/50/72/526575072.db2.gz LSJIYBFYZBLBPT-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000261598270 526653745 /nfs/dbraw/zinc/65/37/45/526653745.db2.gz ALBWVKKTJAWDHS-JTQLQIEISA-N -1 0 341.289 2.906 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1 ZINC000116601617 526683125 /nfs/dbraw/zinc/68/31/25/526683125.db2.gz SMDPUNAOODBAAP-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(COc3ccccc3)cc2)[n-]c1C#N ZINC000192672176 526787252 /nfs/dbraw/zinc/78/72/52/526787252.db2.gz GVZNHLUJEUVISW-UHFFFAOYSA-N -1 0 343.346 2.984 20 30 EFEDRM N#Cc1nc(NC(=O)c2csc(-c3ccccc3F)n2)[n-]c1C#N ZINC000063727890 526787795 /nfs/dbraw/zinc/78/77/95/526787795.db2.gz ULOJUBNLSKOUNP-UHFFFAOYSA-N -1 0 338.327 2.668 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000425683814 536492346 /nfs/dbraw/zinc/49/23/46/536492346.db2.gz MIHWBWQQSMULDD-GHMZBOCLSA-N -1 0 345.428 2.764 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCc2ccc(Cl)cc2)cn1 ZINC000048676680 527282475 /nfs/dbraw/zinc/28/24/75/527282475.db2.gz VDSAOZJCYXTXHE-UHFFFAOYSA-N -1 0 341.820 2.742 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1 ZINC000050205282 527282563 /nfs/dbraw/zinc/28/25/63/527282563.db2.gz HOJKSTNXGWZVEI-OLZOCXBDSA-N -1 0 339.804 2.522 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cncc(C)c2)C1=O ZINC000174992703 528137015 /nfs/dbraw/zinc/13/70/15/528137015.db2.gz YASOTUUAUCODFP-SFHVURJKSA-N -1 0 346.431 2.706 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000174256074 528562475 /nfs/dbraw/zinc/56/24/75/528562475.db2.gz RXHYSIAJGCSTQL-UHFFFAOYSA-N -1 0 334.401 2.786 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc(OC)c1 ZINC000169177296 529270255 /nfs/dbraw/zinc/27/02/55/529270255.db2.gz LRYREQVVHFKLGC-NSHDSACASA-N -1 0 333.207 2.502 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263473002 534972753 /nfs/dbraw/zinc/97/27/53/534972753.db2.gz IJWHOTYASYYYGE-CYBMUJFWSA-N -1 0 331.372 2.674 20 30 EFEDRM CCCCCCCC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000236841893 534982121 /nfs/dbraw/zinc/98/21/21/534982121.db2.gz PAEZUEMSCMVOHQ-UHFFFAOYSA-N -1 0 334.416 2.729 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CCC(=O)OC)cs1 ZINC000282068125 534989068 /nfs/dbraw/zinc/98/90/68/534989068.db2.gz BOGNTDMYXDOPRC-UHFFFAOYSA-N -1 0 348.490 2.961 20 30 EFEDRM CC[C@@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)C1CCOCC1 ZINC000330958114 535389349 /nfs/dbraw/zinc/38/93/49/535389349.db2.gz IIFYKOPHWHGMGA-MRVPVSSYSA-N -1 0 338.355 2.510 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000436434098 535463873 /nfs/dbraw/zinc/46/38/73/535463873.db2.gz VJKLTIQLSZGRLV-UHFFFAOYSA-N -1 0 339.380 2.691 20 30 EFEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000342451942 535594762 /nfs/dbraw/zinc/59/47/62/535594762.db2.gz RBXXUWGMMRLCTE-UHFFFAOYSA-N -1 0 330.369 2.712 20 30 EFEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000343785700 535703558 /nfs/dbraw/zinc/70/35/58/535703558.db2.gz GAVCUMJVAPGKGD-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3cc[nH]c3n2)n1 ZINC000360124028 535728050 /nfs/dbraw/zinc/72/80/50/535728050.db2.gz JJCDCSGZFQNNJP-SNVBAGLBSA-N -1 0 340.364 2.686 20 30 EFEDRM COCCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000193612448 536680952 /nfs/dbraw/zinc/68/09/52/536680952.db2.gz FALIPPRTHYOGBQ-FMIVXFBMSA-N -1 0 325.368 2.536 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000351451010 536786887 /nfs/dbraw/zinc/78/68/87/536786887.db2.gz JMNITSIRGHQRSR-UHFFFAOYSA-N -1 0 346.408 2.823 20 30 EFEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000427315203 537024063 /nfs/dbraw/zinc/02/40/63/537024063.db2.gz MQBUBMGLXBBIJM-UHFFFAOYSA-N -1 0 346.383 2.995 20 30 EFEDRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000194215019 537097267 /nfs/dbraw/zinc/09/72/67/537097267.db2.gz QEXIZQSRDOSGSM-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cn1cc(Br)cc(N=C([O-])N2CC[C@@H]3CCC[C@@H]32)c1=O ZINC000330252179 545849170 /nfs/dbraw/zinc/84/91/70/545849170.db2.gz ODGLSKZITZSQRO-CABZTGNLSA-N -1 0 340.221 2.568 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000390011797 546160154 /nfs/dbraw/zinc/16/01/54/546160154.db2.gz OCNQIOGXOOCYSW-UHFFFAOYSA-N -1 0 332.381 2.645 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575150 546489324 /nfs/dbraw/zinc/48/93/24/546489324.db2.gz GSLNRRHMIWHVLF-RWMBFGLXSA-N -1 0 332.400 2.512 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655588244 546494835 /nfs/dbraw/zinc/49/48/35/546494835.db2.gz ZBKKYATVLUWRSP-UHFFFAOYSA-N -1 0 335.404 2.818 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(C)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000656506387 546824316 /nfs/dbraw/zinc/82/43/16/546824316.db2.gz OIZRVTSLLMCDRG-LBPRGKRZSA-N -1 0 346.305 2.791 20 30 EFEDRM C=CCCNC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000656588284 546854978 /nfs/dbraw/zinc/85/49/78/546854978.db2.gz IILISAKPKRRWEQ-GFCCVEGCSA-N -1 0 331.199 2.864 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])C1 ZINC000656715743 546898704 /nfs/dbraw/zinc/89/87/04/546898704.db2.gz ALCSLAYJHTULGZ-LBPRGKRZSA-N -1 0 327.402 2.571 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCC1 ZINC000656715556 546899170 /nfs/dbraw/zinc/89/91/70/546899170.db2.gz BTQOMIVPJWHTPP-UHFFFAOYSA-N -1 0 326.418 2.518 20 30 EFEDRM C=CCCCS(=O)(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000656719741 546900284 /nfs/dbraw/zinc/90/02/84/546900284.db2.gz NHIDFZSFNPQWFL-OAHLLOKOSA-N -1 0 337.441 2.690 20 30 EFEDRM C=CCCCS(=O)(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000656719737 546900431 /nfs/dbraw/zinc/90/04/31/546900431.db2.gz NHIDFZSFNPQWFL-HNNXBMFYSA-N -1 0 337.441 2.690 20 30 EFEDRM C=CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1OC ZINC000670369955 547473859 /nfs/dbraw/zinc/47/38/59/547473859.db2.gz NFXFNUIYWFNADQ-ALCCZGGFSA-N -1 0 328.324 2.624 20 30 EFEDRM C=CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1OC ZINC000670369956 547474018 /nfs/dbraw/zinc/47/40/18/547474018.db2.gz NFXFNUIYWFNADQ-FNORWQNLSA-N -1 0 328.324 2.624 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CCC(=O)[O-])CC2CC2)cc1OC ZINC000675970585 548383059 /nfs/dbraw/zinc/38/30/59/548383059.db2.gz UZLIHVZFRFAAIZ-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000679397934 549120893 /nfs/dbraw/zinc/12/08/93/549120893.db2.gz WUDRMOFKTLEZER-AWEZNQCLSA-N -1 0 333.384 2.729 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc21)C(=O)[O-] ZINC000681557863 549567149 /nfs/dbraw/zinc/56/71/49/549567149.db2.gz IZGNRZKEBDHWHL-AWEZNQCLSA-N -1 0 349.408 2.546 20 30 EFEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2C1 ZINC000683689987 549932000 /nfs/dbraw/zinc/93/20/00/549932000.db2.gz WAQNFLDRECDPLF-WCQYABFASA-N -1 0 339.399 2.607 20 30 EFEDRM Cn1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2ccccc21 ZINC000755511581 575594109 /nfs/dbraw/zinc/59/41/09/575594109.db2.gz UJTDVTKVZWJWRM-UHFFFAOYSA-N -1 0 325.319 2.960 20 30 EFEDRM Cc1cccc2ncc(C=Nn3c(=O)c4ccccc4[n-]c3=S)n21 ZINC000755616355 575608917 /nfs/dbraw/zinc/60/89/17/575608917.db2.gz DXBNHFTVQNLJRV-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000755844585 575644863 /nfs/dbraw/zinc/64/48/63/575644863.db2.gz ICLXVQZAPUEVLH-ZDUSSCGKSA-N -1 0 328.478 2.979 20 30 EFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1cnc(C)s1)c1ccccc1 ZINC000755867056 575647195 /nfs/dbraw/zinc/64/71/95/575647195.db2.gz LVRKVYPHJYAPJM-ZDUSSCGKSA-N -1 0 336.438 2.616 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)OCC ZINC000756504445 575750277 /nfs/dbraw/zinc/75/02/77/575750277.db2.gz OCXJWNOLBGHPAC-LBPRGKRZSA-N -1 0 331.821 2.516 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(C(=O)[O-])cc2OC)oc1C ZINC000756899328 575798458 /nfs/dbraw/zinc/79/84/58/575798458.db2.gz WQARIKGHVOHPJG-UHFFFAOYSA-N -1 0 332.312 2.527 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nccn1CC(F)(F)F ZINC000756899109 575798509 /nfs/dbraw/zinc/79/85/09/575798509.db2.gz QLASEPIQDYKDDA-UHFFFAOYSA-N -1 0 342.277 2.598 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCc1nc(-c2ccccc2)no1 ZINC000756901106 575798928 /nfs/dbraw/zinc/79/89/28/575798928.db2.gz KGYATFYBBUUHNB-UHFFFAOYSA-N -1 0 338.323 2.889 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccccc1NC(C)=O ZINC000756905790 575799705 /nfs/dbraw/zinc/79/97/05/575799705.db2.gz KNUKZUCTTHVFDO-UHFFFAOYSA-N -1 0 327.340 2.798 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccccc1C(=O)[O-] ZINC000757460054 575839703 /nfs/dbraw/zinc/83/97/03/575839703.db2.gz MSLSWSVLTAGLFM-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1[O-] ZINC000757476536 575840462 /nfs/dbraw/zinc/84/04/62/575840462.db2.gz WXWKAZYWTKWERK-AATRIKPKSA-N -1 0 327.292 2.968 20 30 EFEDRM COC(=O)[C@@H](C)Oc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000758354296 575867601 /nfs/dbraw/zinc/86/76/01/575867601.db2.gz GHXDXZMVKRSRDJ-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM COC(=O)[C@@H](C)Oc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000758360078 575867767 /nfs/dbraw/zinc/86/77/67/575867767.db2.gz UTKRPTDNVRQCDK-GFCCVEGCSA-N -1 0 342.351 2.771 20 30 EFEDRM C[C@@H]1C[C@H]1CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000758379908 575868166 /nfs/dbraw/zinc/86/81/66/575868166.db2.gz ZQEPXFLANVEMHO-MNOVXSKESA-N -1 0 336.442 2.998 20 30 EFEDRM COC(=O)[C@@H](C)Cc1ccc(N=Cc2ccc(O)c(O)c2O)cc1 ZINC000758814435 575877816 /nfs/dbraw/zinc/87/78/16/575877816.db2.gz GGMLEONEUTVWDR-NSHDSACASA-N -1 0 329.352 2.906 20 30 EFEDRM CCO[C@@H]1COCC[C@@H]1/N=C\c1cc(Br)ccc1O ZINC000758815379 575877876 /nfs/dbraw/zinc/87/78/76/575877876.db2.gz KRIILNLFMVXMMK-PUCAEZMQSA-N -1 0 328.206 2.768 20 30 EFEDRM COCCn1cc2c(n1)[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000758817011 575877907 /nfs/dbraw/zinc/87/79/07/575877907.db2.gz WOMANAIZUWPKTK-BFERYNQYSA-N -1 0 344.371 2.640 20 30 EFEDRM CCc1c2cc(C)ccc2oc1C(=O)/C=C\c1cn(CC(=O)[O-])nn1 ZINC000759075374 575884104 /nfs/dbraw/zinc/88/41/04/575884104.db2.gz LHHUCSADGOHOLP-WAYWQWQTSA-N -1 0 339.351 2.876 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2cccc(Cl)c2Cl)nn1 ZINC000759082533 575884203 /nfs/dbraw/zinc/88/42/03/575884203.db2.gz DGZYRHCZAIUFRY-PLNGDYQASA-N -1 0 326.139 2.566 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2/CCSc3ccc(Cl)cc3C2=O)nn1 ZINC000759084195 575884246 /nfs/dbraw/zinc/88/42/46/575884246.db2.gz OEWSTUXYUIYSGN-UITAMQMPSA-N -1 0 349.799 2.778 20 30 EFEDRM Cc1cc2cc(C(=O)/C=C/c3cn(CC(=O)[O-])nn3)oc2cc1C ZINC000759084865 575884261 /nfs/dbraw/zinc/88/42/61/575884261.db2.gz RRRMBSNVAYFVCS-ONEGZZNKSA-N -1 0 325.324 2.622 20 30 EFEDRM CC(C)c1cccc2c1OCC/C(=C/c1cn(CC(=O)[O-])nn1)C2=O ZINC000759083174 575884262 /nfs/dbraw/zinc/88/42/62/575884262.db2.gz MLLQHXWSABWIFP-WQLSENKSSA-N -1 0 341.367 2.535 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(SC(F)F)cc2)nn1 ZINC000759085249 575884291 /nfs/dbraw/zinc/88/42/91/575884291.db2.gz UJYJJWDKCHVDGP-UTCJRWHESA-N -1 0 339.323 2.574 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])c1[O-] ZINC000759200578 575886861 /nfs/dbraw/zinc/88/68/61/575886861.db2.gz DUJCXGVVFAPILL-UHFFFAOYSA-N -1 0 337.679 2.703 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759233885 575887429 /nfs/dbraw/zinc/88/74/29/575887429.db2.gz BXXNJGCJGTWQCK-QWHCGFSZSA-N -1 0 342.395 2.890 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000759271382 575888265 /nfs/dbraw/zinc/88/82/65/575888265.db2.gz HNRZRCGUASORSK-VSQXVHSFSA-N -1 0 345.355 2.744 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759545493 575898178 /nfs/dbraw/zinc/89/81/78/575898178.db2.gz XBKGKWQBUQDYGR-JTQLQIEISA-N -1 0 327.327 2.640 20 30 EFEDRM CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC ZINC000759550344 575899452 /nfs/dbraw/zinc/89/94/52/575899452.db2.gz OFFUZMUURZAAHX-UHFFFAOYSA-N -1 0 326.805 2.763 20 30 EFEDRM CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(C#N)ccc2[O-])c1C ZINC000759713642 575924899 /nfs/dbraw/zinc/92/48/99/575924899.db2.gz OJROZALIZFWHNE-UHFFFAOYSA-N -1 0 327.340 2.638 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000760207346 575991093 /nfs/dbraw/zinc/99/10/93/575991093.db2.gz UTBDTOFJKHMEOI-AWEZNQCLSA-N -1 0 342.326 2.925 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000761288836 576140553 /nfs/dbraw/zinc/14/05/53/576140553.db2.gz IEPZJSZQOSNZNO-INIZCTEOSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000761289046 576140676 /nfs/dbraw/zinc/14/06/76/576140676.db2.gz KFSRSRSPAVHODT-MRXNPFEDSA-N -1 0 343.404 2.736 20 30 EFEDRM CCO[C@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000761413430 576156181 /nfs/dbraw/zinc/15/61/81/576156181.db2.gz QIMBDIVVSHQJLR-TZMCWYRMSA-N -1 0 338.429 2.622 20 30 EFEDRM CCO[C@@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000761413428 576156261 /nfs/dbraw/zinc/15/62/61/576156261.db2.gz QIMBDIVVSHQJLR-JSGCOSHPSA-N -1 0 338.429 2.622 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc3ccc(F)cc3s2)C(=O)O1 ZINC000761476142 576167919 /nfs/dbraw/zinc/16/79/19/576167919.db2.gz RKUKZJJAODILRU-MBVDDHJVSA-N -1 0 331.324 2.664 20 30 EFEDRM COc1ccc(C=NNc2ccc(F)cc2OC)c(OCC(=O)[O-])c1 ZINC000761890324 576226014 /nfs/dbraw/zinc/22/60/14/576226014.db2.gz LMWGUFYONLVLQX-UHFFFAOYSA-N -1 0 348.330 2.752 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000762066681 576252430 /nfs/dbraw/zinc/25/24/30/576252430.db2.gz PTCSBDMVOQIEKK-UHFFFAOYSA-N -1 0 348.399 2.675 20 30 EFEDRM O=C([N-]C[C@H](O)c1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000762388984 576297068 /nfs/dbraw/zinc/29/70/68/576297068.db2.gz WLKQESXGPZDTEO-QMMMGPOBSA-N -1 0 333.203 2.755 20 30 EFEDRM O=C([N-]C[C@H](O)c1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000762419268 576300309 /nfs/dbraw/zinc/30/03/09/576300309.db2.gz RHWGKQFXLCMMOA-QMMMGPOBSA-N -1 0 333.203 2.755 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2ccc(C(=O)[O-])cc2)n1 ZINC000762607702 576317512 /nfs/dbraw/zinc/31/75/12/576317512.db2.gz IEPIDVDEJIRQES-UHFFFAOYSA-N -1 0 327.388 2.857 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cnn(CC(F)(F)F)c2)c1 ZINC000763095355 576361167 /nfs/dbraw/zinc/36/11/67/576361167.db2.gz CUGCPIVRRNWMBU-FMQZQXMHSA-N -1 0 328.250 2.678 20 30 EFEDRM Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)n1C[C@@H]1CCCO1 ZINC000763368127 576374488 /nfs/dbraw/zinc/37/44/88/576374488.db2.gz KQOLHBBRMIJBEP-INIZCTEOSA-N -1 0 342.399 2.823 20 30 EFEDRM COc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1OC(F)F ZINC000763368525 576374506 /nfs/dbraw/zinc/37/45/06/576374506.db2.gz OAIJJWNPUPVBKU-UHFFFAOYSA-N -1 0 337.282 2.836 20 30 EFEDRM COc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1OC(F)F ZINC000763370996 576374623 /nfs/dbraw/zinc/37/46/23/576374623.db2.gz XEHQATZRUHMAEA-UHFFFAOYSA-N -1 0 337.282 2.836 20 30 EFEDRM COc1cc2c(c(CN=Nc3ccc(C(=O)[O-])cn3)c1)O[C@H](C)C2 ZINC000763371078 576374682 /nfs/dbraw/zinc/37/46/82/576374682.db2.gz YUVZXYHAXYUROZ-SNVBAGLBSA-N -1 0 327.340 2.558 20 30 EFEDRM CCn1cc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])c(OC)c2)cn1 ZINC000763373227 576374789 /nfs/dbraw/zinc/37/47/89/576374789.db2.gz JKPGPOJLQWEWBZ-GQCTYLIASA-N -1 0 344.367 2.661 20 30 EFEDRM COC(=O)COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000765827780 577081005 /nfs/dbraw/zinc/08/10/05/577081005.db2.gz YHGQPNWSYDOZNN-BJMVGYQFSA-N -1 0 340.331 2.833 20 30 EFEDRM COC(=O)COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000765827781 577081041 /nfs/dbraw/zinc/08/10/41/577081041.db2.gz YHGQPNWSYDOZNN-YHYXMXQVSA-N -1 0 340.331 2.833 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnn1C1CCCC1 ZINC000766256927 577128465 /nfs/dbraw/zinc/12/84/65/577128465.db2.gz WOJAEQQJKPENEH-MRXNPFEDSA-N -1 0 336.395 2.637 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000766501087 577158663 /nfs/dbraw/zinc/15/86/63/577158663.db2.gz FBONXMAKKCPYNZ-ARJAWSKDSA-N -1 0 347.279 2.585 20 30 EFEDRM CC(C)CN1N=C(C([O-])=C(C#N)c2nc3ccccc3o2)CCC1=O ZINC000766846194 577184819 /nfs/dbraw/zinc/18/48/19/577184819.db2.gz IYJRPTLJDUMSKS-GFCCVEGCSA-N -1 0 338.367 2.638 20 30 EFEDRM Cc1cn2c(C=Nn3c(=S)[n-]nc3C(F)(F)F)c(C)nc2s1 ZINC000767100991 577196409 /nfs/dbraw/zinc/19/64/09/577196409.db2.gz BEXVMHPZCUHBBH-UHFFFAOYSA-N -1 0 346.363 2.794 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cnc1Cl ZINC000767450615 577208911 /nfs/dbraw/zinc/20/89/11/577208911.db2.gz KJYMFOAANXXYGG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CON=C(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000767490040 577210084 /nfs/dbraw/zinc/21/00/84/577210084.db2.gz IXXPIKYGOMPXFW-UHFFFAOYSA-N -1 0 348.380 2.556 20 30 EFEDRM C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000737688294 577227354 /nfs/dbraw/zinc/22/73/54/577227354.db2.gz BNYAFQJPMWNAGN-NSHDSACASA-N -1 0 326.377 2.912 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000767730980 577230781 /nfs/dbraw/zinc/23/07/81/577230781.db2.gz UAGPCGNQFJRMBB-WAPJZHGLSA-N -1 0 327.292 2.983 20 30 EFEDRM O=C([O-])COc1ccccc1CN=Nc1ncnc2sccc21 ZINC000725818735 577234036 /nfs/dbraw/zinc/23/40/36/577234036.db2.gz VFVSGOYNHXAQKH-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)nn1CCC#N ZINC000768048024 577251432 /nfs/dbraw/zinc/25/14/32/577251432.db2.gz SQNARHUJQUWGMD-UHFFFAOYSA-N -1 0 327.369 2.787 20 30 EFEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1F ZINC000725858505 577253218 /nfs/dbraw/zinc/25/32/18/577253218.db2.gz BRHZVPFALYRGHM-UHFFFAOYSA-N -1 0 329.356 2.715 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(-n2ccnc2)cc1 ZINC000725859442 577253565 /nfs/dbraw/zinc/25/35/65/577253565.db2.gz OEZNUIBODBCNPN-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM CCOc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725859661 577253698 /nfs/dbraw/zinc/25/36/98/577253698.db2.gz SZNBKESVRAEJKA-UHFFFAOYSA-N -1 0 325.393 2.966 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739129225 577283704 /nfs/dbraw/zinc/28/37/04/577283704.db2.gz RMZHOOAXZDHNLZ-UHFFFAOYSA-N -1 0 329.287 2.805 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(OCC#N)cc2)cc(C(=O)[O-])c1 ZINC000737675387 577330233 /nfs/dbraw/zinc/33/02/33/577330233.db2.gz OXAUGMTZBJDUIR-UHFFFAOYSA-N -1 0 341.319 2.653 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](F)c2ccccc2)n1 ZINC000769170426 577341316 /nfs/dbraw/zinc/34/13/16/577341316.db2.gz XTOLMNMUNKNSSY-JSGCOSHPSA-N -1 0 332.356 2.882 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000726322341 577360690 /nfs/dbraw/zinc/36/06/90/577360690.db2.gz VORQDGNBYNMOBA-VIFPVBQESA-N -1 0 347.346 2.713 20 30 EFEDRM COC(=O)N1CCC[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000726428517 577364532 /nfs/dbraw/zinc/36/45/32/577364532.db2.gz BXYVCTCTIITQCR-JRUYLCMPSA-N -1 0 341.751 2.604 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(F)c2F)n1 ZINC000726677706 577379801 /nfs/dbraw/zinc/37/98/01/577379801.db2.gz CSGXIRBBPJLUAY-SNVBAGLBSA-N -1 0 336.319 2.763 20 30 EFEDRM COC(=O)c1ccc([O-])c(C=NNc2cc([N+](=O)[O-])ccc2C)c1 ZINC000726738574 577383127 /nfs/dbraw/zinc/38/31/27/577383127.db2.gz WTIASCUTNIUKGP-UHFFFAOYSA-N -1 0 329.312 2.841 20 30 EFEDRM O=[N+]([O-])c1cc(CN=Nc2nc(-c3ccccc3)no2)ccc1[O-] ZINC000726739247 577383247 /nfs/dbraw/zinc/38/32/47/577383247.db2.gz HZTVVWXGNDXPQZ-UHFFFAOYSA-N -1 0 325.284 2.796 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2ccnc(Br)c2)cc1[O-] ZINC000769804009 577386345 /nfs/dbraw/zinc/38/63/45/577386345.db2.gz FRUSHLMSPSWSGX-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM Cn1ncc2c1nc(N=NCCCCCOc1ccccc1)[n-]c2=O ZINC000769817600 577387621 /nfs/dbraw/zinc/38/76/21/577387621.db2.gz NKKDZLHRBYGZCX-UHFFFAOYSA-N -1 0 340.387 2.716 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000770608270 581116141 /nfs/dbraw/zinc/11/61/41/581116141.db2.gz QRQJKIOQVSIJPM-UHFFFAOYSA-N -1 0 345.311 2.756 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770862408 581142895 /nfs/dbraw/zinc/14/28/95/581142895.db2.gz MRVZGWQWKNUKTC-CYBMUJFWSA-N -1 0 334.335 2.589 20 30 EFEDRM Cc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1Cl ZINC000770869542 581143699 /nfs/dbraw/zinc/14/36/99/581143699.db2.gz ZMTNRLOHVGSVTA-ZDUSSCGKSA-N -1 0 329.787 2.906 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000770871489 581143849 /nfs/dbraw/zinc/14/38/49/581143849.db2.gz MFJBRHLEQVJJMP-HBNTYKKESA-N -1 0 327.306 2.680 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000770899368 581147992 /nfs/dbraw/zinc/14/79/92/581147992.db2.gz SSECXZSQSMTBND-UHFFFAOYSA-N -1 0 325.455 2.581 20 30 EFEDRM CC1(C)CCC(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000771076188 581171996 /nfs/dbraw/zinc/17/19/96/581171996.db2.gz DVHPFWKDHCALQF-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771079300 581172475 /nfs/dbraw/zinc/17/24/75/581172475.db2.gz SULKSHPKDGHEOD-ZDUSSCGKSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771079183 581172492 /nfs/dbraw/zinc/17/24/92/581172492.db2.gz VVFLXJGQNZPDRA-UHFFFAOYSA-N -1 0 348.468 2.848 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2occc2-c2ccccc2)CCC1 ZINC000771079602 581172526 /nfs/dbraw/zinc/17/25/26/581172526.db2.gz IRYYQUSEHRWYFM-UHFFFAOYSA-N -1 0 344.392 2.700 20 30 EFEDRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771078346 581172538 /nfs/dbraw/zinc/17/25/38/581172538.db2.gz OTUSHBHPXOUZRS-CQSZACIVSA-N -1 0 334.441 2.629 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3sccc3c2)CCC1 ZINC000771080697 581172800 /nfs/dbraw/zinc/17/28/00/581172800.db2.gz MSFJBXQPQNTDAZ-UHFFFAOYSA-N -1 0 334.422 2.655 20 30 EFEDRM C=CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000771556908 581222520 /nfs/dbraw/zinc/22/25/20/581222520.db2.gz XLEINGMFEBCGJC-UHFFFAOYSA-N -1 0 331.441 2.791 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCC)c(OCC)c1 ZINC000772718764 581359283 /nfs/dbraw/zinc/35/92/83/581359283.db2.gz XQEYXVLMFYFUNL-UHFFFAOYSA-N -1 0 341.429 2.510 20 30 EFEDRM CC1(C)CCCC[C@H]1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000773123919 581398786 /nfs/dbraw/zinc/39/87/86/581398786.db2.gz HRAALQWCJQFRBS-OAHLLOKOSA-N -1 0 349.387 2.951 20 30 EFEDRM C[C@H](Oc1cccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)c1)C(=O)[O-] ZINC000773158170 581401473 /nfs/dbraw/zinc/40/14/73/581401473.db2.gz ACQWOQATZPZGIL-FSKGUYTJSA-N -1 0 334.331 2.903 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2nc(C)c(C)s2)n1 ZINC000773511455 581438946 /nfs/dbraw/zinc/43/89/46/581438946.db2.gz LOSOHVZBTOIOKT-SNVBAGLBSA-N -1 0 335.410 2.558 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773971018 581475906 /nfs/dbraw/zinc/47/59/06/581475906.db2.gz LRZQCVXQHGSPFQ-INIZCTEOSA-N -1 0 338.411 2.560 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)co1 ZINC000773979744 581476505 /nfs/dbraw/zinc/47/65/05/581476505.db2.gz KGFNROCPPHXKQH-CYBMUJFWSA-N -1 0 327.340 2.597 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000773978318 581476528 /nfs/dbraw/zinc/47/65/28/581476528.db2.gz BMZLRYQEOFWPBL-SECBINFHSA-N -1 0 333.731 2.688 20 30 EFEDRM N#CCCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c2ccccc21 ZINC000774050782 581480545 /nfs/dbraw/zinc/48/05/45/581480545.db2.gz HBWSDQBTYIMQAX-HNNXBMFYSA-N -1 0 334.379 2.546 20 30 EFEDRM COC(=O)c1coc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000774119372 581484299 /nfs/dbraw/zinc/48/42/99/581484299.db2.gz MLJUPBYZGPKYSM-WEVVVXLNSA-N -1 0 330.292 2.878 20 30 EFEDRM CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1 ZINC000774137017 581485109 /nfs/dbraw/zinc/48/51/09/581485109.db2.gz DTRDTESQVTZGID-CMDGGOBGSA-N -1 0 345.376 2.652 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000774140723 581485238 /nfs/dbraw/zinc/48/52/38/581485238.db2.gz DLLDBTKFFCBLJO-ILDUYXDCSA-N -1 0 327.306 2.680 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)sc1C ZINC000774261444 581488292 /nfs/dbraw/zinc/48/82/92/581488292.db2.gz YTNDEZHKXTUDCQ-LLVKDONJSA-N -1 0 349.362 2.677 20 30 EFEDRM N#CCCCn1cc(C(=O)[N-]S(=O)(=O)C2CCC2)c2ccccc21 ZINC000774281668 581488717 /nfs/dbraw/zinc/48/87/17/581488717.db2.gz LMUHQUVEPFLYJK-UHFFFAOYSA-N -1 0 345.424 2.557 20 30 EFEDRM Cc1nnc(NN=Cc2cc(Cl)c3ccccc3c2O)[n-]c1=O ZINC000774574461 581494461 /nfs/dbraw/zinc/49/44/61/581494461.db2.gz VQTYDRCPUKGYPY-UHFFFAOYSA-N -1 0 329.747 2.844 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC[C@H](CC(=O)[O-])C2)c1=S ZINC000817689975 597041346 /nfs/dbraw/zinc/04/13/46/597041346.db2.gz KOZWPDIUTIXYTR-GFCCVEGCSA-N -1 0 336.461 2.622 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000819100174 597102702 /nfs/dbraw/zinc/10/27/02/597102702.db2.gz BANGVPGVQYUMRP-HNNXBMFYSA-N -1 0 332.425 2.505 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cn2)c1 ZINC000819106222 597305267 /nfs/dbraw/zinc/30/52/67/597305267.db2.gz IACPQYHMSSUMSZ-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC000821324359 597455446 /nfs/dbraw/zinc/45/54/46/597455446.db2.gz BUTXVVQHDJZDQE-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000817762799 597461789 /nfs/dbraw/zinc/46/17/89/597461789.db2.gz ZXVSPQUDAODIFI-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000817762391 597464326 /nfs/dbraw/zinc/46/43/26/597464326.db2.gz KMGGMKSHBJWGLI-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM N#CCc1ccc(OCc2ccccc2NC(=O)NCC(=O)[O-])cc1 ZINC000819090831 597491570 /nfs/dbraw/zinc/49/15/70/597491570.db2.gz GORSNDAEGJOQAH-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)O[C@@H](C)C(=O)[O-])cc1C ZINC000738251491 597499923 /nfs/dbraw/zinc/49/99/23/597499923.db2.gz LLOJLJOOUNZWRQ-ZDUSSCGKSA-N -1 0 341.367 2.711 20 30 EFEDRM Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000821076036 597603148 /nfs/dbraw/zinc/60/31/48/597603148.db2.gz QKLSOPRAXHJPHN-GOSISDBHSA-N -1 0 340.383 2.741 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819821377 597605598 /nfs/dbraw/zinc/60/55/98/597605598.db2.gz FKICUSJEZMZZQC-KDOFPFPSSA-N -1 0 327.384 2.670 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000819824571 597609021 /nfs/dbraw/zinc/60/90/21/597609021.db2.gz ZAVRBDSMAAJJQI-SWLSCSKDSA-N -1 0 342.317 2.671 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000820968120 597610140 /nfs/dbraw/zinc/61/01/40/597610140.db2.gz MOEYRXJGOVEJFB-SFHVURJKSA-N -1 0 340.383 2.741 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000820968119 597610428 /nfs/dbraw/zinc/61/04/28/597610428.db2.gz MOEYRXJGOVEJFB-GOSISDBHSA-N -1 0 340.383 2.741 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Cc2ccccc2)n1 ZINC000819873360 597612864 /nfs/dbraw/zinc/61/28/64/597612864.db2.gz ATMMFRZDHUXITM-KRWDZBQOSA-N -1 0 344.392 2.782 20 30 EFEDRM Cc1ccc(-c2nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cs2)o1 ZINC000821052675 597617744 /nfs/dbraw/zinc/61/77/44/597617744.db2.gz SOTWIFLCLVKHKZ-HNNXBMFYSA-N -1 0 334.353 2.759 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821248163 597621475 /nfs/dbraw/zinc/62/14/75/597621475.db2.gz GVIGKJGTDWAKRM-KRWDZBQOSA-N -1 0 328.324 2.698 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000819865163 597621500 /nfs/dbraw/zinc/62/15/00/597621500.db2.gz IEHUFQYRGNWSKT-SFHVURJKSA-N -1 0 325.320 2.570 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Br)c1 ZINC000819874927 597623383 /nfs/dbraw/zinc/62/33/83/597623383.db2.gz SRPDACMUPRFWPP-NSHDSACASA-N -1 0 332.175 2.558 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCSc1ccc(Cl)cc1 ZINC000819874019 597623572 /nfs/dbraw/zinc/62/35/72/597623572.db2.gz GKSNLCHQODXHEA-AWEZNQCLSA-N -1 0 327.789 2.980 20 30 EFEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820161546 597625301 /nfs/dbraw/zinc/62/53/01/597625301.db2.gz QQCJQMLVDZSOAL-FBTUUNQQSA-N -1 0 347.411 2.708 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000819864595 597625913 /nfs/dbraw/zinc/62/59/13/597625913.db2.gz AANUYCZRQGBUIO-CQSZACIVSA-N -1 0 344.150 2.724 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000819832357 597628278 /nfs/dbraw/zinc/62/82/78/597628278.db2.gz AYRFCWAZLBXHIO-HXUWFJFHSA-N -1 0 336.391 2.939 20 30 EFEDRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602123 597628778 /nfs/dbraw/zinc/62/87/78/597628778.db2.gz GURFJCTVPLXEQS-AWEZNQCLSA-N -1 0 328.290 2.668 20 30 EFEDRM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602192 597632039 /nfs/dbraw/zinc/63/20/39/597632039.db2.gz LSLVCAIGEIPCSX-CQSZACIVSA-N -1 0 344.289 2.548 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000819821517 597635893 /nfs/dbraw/zinc/63/58/93/597635893.db2.gz HYRKXSHZDUPRJL-QGZVFWFLSA-N -1 0 345.786 2.711 20 30 EFEDRM Cc1nc(-c2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)[nH]c1C ZINC000821152950 597638858 /nfs/dbraw/zinc/63/88/58/597638858.db2.gz LZXHGOLJUPWPRA-KRWDZBQOSA-N -1 0 326.356 2.637 20 30 EFEDRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC000821078912 597641761 /nfs/dbraw/zinc/64/17/61/597641761.db2.gz AZYSIUMLQHQTCV-QFBILLFUSA-N -1 0 328.412 2.781 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000819823382 597642649 /nfs/dbraw/zinc/64/26/49/597642649.db2.gz UDEFKXDLUPGPGP-OAHLLOKOSA-N -1 0 341.194 2.883 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820114508 597649008 /nfs/dbraw/zinc/64/90/08/597649008.db2.gz OLUFGWIASQHZRV-DIFFPNOSSA-N -1 0 327.340 2.523 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320133 598160087 /nfs/dbraw/zinc/16/00/87/598160087.db2.gz JWSQTJTYVGTDKK-AWEZNQCLSA-N -1 0 342.738 2.999 20 30 EFEDRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000821512077 598206981 /nfs/dbraw/zinc/20/69/81/598206981.db2.gz XQYIAWQUCLNBOO-KRWDZBQOSA-N -1 0 335.363 2.562 20 30 EFEDRM COc1ccc(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000820805217 598221973 /nfs/dbraw/zinc/22/19/73/598221973.db2.gz NPRONXVVGTTYMA-MRXNPFEDSA-N -1 0 345.380 2.762 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCSc1ccc(Cl)cc1 ZINC000819841524 598222560 /nfs/dbraw/zinc/22/25/60/598222560.db2.gz ACDKUBRQYHGJME-AWEZNQCLSA-N -1 0 326.805 2.553 20 30 EFEDRM CC1CCN(c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)CC1 ZINC000820238355 598222686 /nfs/dbraw/zinc/22/26/86/598222686.db2.gz NOVVNIZGSPIFRH-SFHVURJKSA-N -1 0 329.400 2.866 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000819865889 598222917 /nfs/dbraw/zinc/22/29/17/598222917.db2.gz PJYNWGFBHYCZKB-OAHLLOKOSA-N -1 0 333.344 2.892 20 30 EFEDRM Cc1nc(-c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)cs1 ZINC000821152552 598222962 /nfs/dbraw/zinc/22/29/62/598222962.db2.gz GHAYWACSGDGZKK-KRWDZBQOSA-N -1 0 343.408 2.739 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820114566 598223896 /nfs/dbraw/zinc/22/38/96/598223896.db2.gz PLBBXDZOYYCWOI-XPTSAGLGSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000819833928 598224212 /nfs/dbraw/zinc/22/42/12/598224212.db2.gz KOHHGXFXJWTHTJ-KRWDZBQOSA-N -1 0 332.375 2.758 20 30 EFEDRM Cc1ccc(Br)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821058447 598224311 /nfs/dbraw/zinc/22/43/11/598224311.db2.gz QXEXVGQIGMFRHE-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820261579 598224471 /nfs/dbraw/zinc/22/44/71/598224471.db2.gz RSCOBOUCHAFRPB-SFHVURJKSA-N -1 0 345.399 2.548 20 30 EFEDRM Cc1nc(-c2cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)oc1C ZINC000821152934 598224822 /nfs/dbraw/zinc/22/48/22/598224822.db2.gz LBNANVIQCAYUFX-QGZVFWFLSA-N -1 0 327.340 2.902 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Br)cc1F ZINC000820517647 598225131 /nfs/dbraw/zinc/22/51/31/598225131.db2.gz MQEUSAYMUKUZKO-CYBMUJFWSA-N -1 0 343.152 2.556 20 30 EFEDRM COc1ccccc1C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC1 ZINC000820876302 598225184 /nfs/dbraw/zinc/22/51/84/598225184.db2.gz CHWWVVQQIOROPR-GOSISDBHSA-N -1 0 344.411 2.628 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000819857187 598225243 /nfs/dbraw/zinc/22/52/43/598225243.db2.gz UHCSJRZBKGYFCH-SCLBCKFNSA-N -1 0 346.383 2.578 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000819856498 598225244 /nfs/dbraw/zinc/22/52/44/598225244.db2.gz IZQYGHKZWIIFPG-CYBMUJFWSA-N -1 0 341.245 2.790 20 30 EFEDRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000820976633 598225296 /nfs/dbraw/zinc/22/52/96/598225296.db2.gz NAJTWYVGIPWWGI-SFHVURJKSA-N -1 0 327.384 2.714 20 30 EFEDRM Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821045825 598225322 /nfs/dbraw/zinc/22/53/22/598225322.db2.gz FUTNZXASPQAAOA-KRWDZBQOSA-N -1 0 340.339 2.520 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000819856053 598225814 /nfs/dbraw/zinc/22/58/14/598225814.db2.gz FOEQFMKOEXDFQB-MRXNPFEDSA-N -1 0 342.380 2.571 20 30 EFEDRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@](C)(C#N)CC(=O)[O-])nc2c1 ZINC000821103711 598225960 /nfs/dbraw/zinc/22/59/60/598225960.db2.gz MWMBDIVBOQAGAX-KDOFPFPSSA-N -1 0 340.383 2.539 20 30 EFEDRM COc1cccc(C2(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC2)c1 ZINC000820865630 598227151 /nfs/dbraw/zinc/22/71/51/598227151.db2.gz VJCMMFFQSZKYLO-GOSISDBHSA-N -1 0 344.411 2.628 20 30 EFEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000820160948 598227644 /nfs/dbraw/zinc/22/76/44/598227644.db2.gz KULZHEKCYKGTDZ-PSLIRLAXSA-N -1 0 327.283 2.897 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000819846853 598228655 /nfs/dbraw/zinc/22/86/55/598228655.db2.gz HGDWZORZKMCECV-ZDUSSCGKSA-N -1 0 325.246 2.520 20 30 EFEDRM CN1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c2cc(Cl)ccc21 ZINC000820626344 598228719 /nfs/dbraw/zinc/22/87/19/598228719.db2.gz MRKWMRPCIFMDPO-MRXNPFEDSA-N -1 0 335.791 2.517 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000819811772 598228799 /nfs/dbraw/zinc/22/87/99/598228799.db2.gz VXBBJKWGVMVLMW-GUYCJALGSA-N -1 0 332.425 2.632 20 30 EFEDRM CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820278327 598229260 /nfs/dbraw/zinc/22/92/60/598229260.db2.gz MRSQYSFURQOFHJ-JMCQJSRRSA-N -1 0 349.334 2.734 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(F)cc(Br)c1 ZINC000819873803 598229488 /nfs/dbraw/zinc/22/94/88/598229488.db2.gz DEQYGCGCCMMNJT-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820114426 598230092 /nfs/dbraw/zinc/23/00/92/598230092.db2.gz NMSCWWGTVYNDSG-OTYXRUKQSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820114429 598230116 /nfs/dbraw/zinc/23/01/16/598230116.db2.gz NMSCWWGTVYNDSG-YMTOWFKASA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000819822531 598230606 /nfs/dbraw/zinc/23/06/06/598230606.db2.gz OWCWBDXYZAEGGZ-RDTXWAMCSA-N -1 0 342.395 2.944 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000820205939 598230734 /nfs/dbraw/zinc/23/07/34/598230734.db2.gz JHOLLKVQPMINLT-PXAZEXFGSA-N -1 0 334.347 2.549 20 30 EFEDRM CCc1cc(Br)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820474098 598230845 /nfs/dbraw/zinc/23/08/45/598230845.db2.gz KUDHXJGSJGHSKX-AWEZNQCLSA-N -1 0 339.189 2.955 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(O)c(F)c2)o1 ZINC000735451286 598641520 /nfs/dbraw/zinc/64/15/20/598641520.db2.gz XAOJIANGXRMYPI-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000739146517 599717488 /nfs/dbraw/zinc/71/74/88/599717488.db2.gz GSKSIYAPTLYCFL-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)CCCNC(=O)[O-] ZINC000739146649 599718574 /nfs/dbraw/zinc/71/85/74/599718574.db2.gz JLONDCCMFOYQDP-UHFFFAOYSA-N -1 0 327.340 2.732 20 30 EFEDRM N#Cc1c(NC(=O)CCNC(=O)[O-])sc2c1-c1ccccc1CC2 ZINC000739093998 599724634 /nfs/dbraw/zinc/72/46/34/599724634.db2.gz YHGRWVRDCZBVAK-UHFFFAOYSA-N -1 0 341.392 2.982 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)[O-])cc1 ZINC000739142779 599725896 /nfs/dbraw/zinc/72/58/96/599725896.db2.gz QPRHCKJHSRBFFS-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc2ccccc21 ZINC000739093119 599746696 /nfs/dbraw/zinc/74/66/96/599746696.db2.gz ZOJXICIYEBSKDA-OAHLLOKOSA-N -1 0 339.376 2.782 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736248487 599776003 /nfs/dbraw/zinc/77/60/03/599776003.db2.gz KESPOXVPGCJHNS-UHFFFAOYSA-N -1 0 333.344 2.695 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000739118847 599783065 /nfs/dbraw/zinc/78/30/65/599783065.db2.gz XLDMTSFBFWNNSC-INIZCTEOSA-N -1 0 343.770 2.566 20 30 EFEDRM C=CCNC(=S)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736105716 599795194 /nfs/dbraw/zinc/79/51/94/599795194.db2.gz GIGOTHSEHGMHRY-UHFFFAOYSA-N -1 0 334.319 2.798 20 30 EFEDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000736454956 599795979 /nfs/dbraw/zinc/79/59/79/599795979.db2.gz KRBNPHVZYSZZTD-UHFFFAOYSA-N -1 0 342.351 2.665 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2cc(F)c(F)c(F)c2)C(C(=O)[O-])=C1C ZINC000736106987 599800226 /nfs/dbraw/zinc/80/02/26/599800226.db2.gz OEBPFTBFMIQCMD-ZDUSSCGKSA-N -1 0 326.274 2.715 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736306743 599803746 /nfs/dbraw/zinc/80/37/46/599803746.db2.gz SQFVVURRYQVWMF-UHFFFAOYSA-N -1 0 341.367 2.830 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738433133 599833996 /nfs/dbraw/zinc/83/39/96/599833996.db2.gz YJPJYNTZQAWBEO-GOSISDBHSA-N -1 0 349.390 2.542 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000739122984 599836223 /nfs/dbraw/zinc/83/62/23/599836223.db2.gz JGFUTLBZVAKNPQ-ZDUSSCGKSA-N -1 0 341.392 2.925 20 30 EFEDRM Cc1oc(C=NNC(=S)Nc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000738968815 599838601 /nfs/dbraw/zinc/83/86/01/599838601.db2.gz BGZHSFONXSRZAU-UHFFFAOYSA-N -1 0 346.412 2.673 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)CCCN(C)C(=O)[O-] ZINC000737179952 599839532 /nfs/dbraw/zinc/83/95/32/599839532.db2.gz XQIJIFIKQBJZKB-UHFFFAOYSA-N -1 0 340.763 2.906 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000736089757 599880733 /nfs/dbraw/zinc/88/07/33/599880733.db2.gz PNYONGKXGWYXAJ-UHFFFAOYSA-N -1 0 336.347 2.945 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000739123738 599883665 /nfs/dbraw/zinc/88/36/65/599883665.db2.gz UIGGPYRJNDQPBE-OAHLLOKOSA-N -1 0 340.335 2.562 20 30 EFEDRM Cc1oc(COC(=O)CSc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000738981450 599898977 /nfs/dbraw/zinc/89/89/77/599898977.db2.gz JWHZVSMLHIXAHH-UHFFFAOYSA-N -1 0 331.349 2.993 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNCc2ccc(Br)cc2)c1 ZINC000740154366 599907924 /nfs/dbraw/zinc/90/79/24/599907924.db2.gz ACXJOSZVBPPUBL-UHFFFAOYSA-N -1 0 349.184 2.977 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000236799126 599913635 /nfs/dbraw/zinc/91/36/35/599913635.db2.gz PWGZOQHJSAKMOR-UHFFFAOYSA-N -1 0 338.319 2.941 20 30 EFEDRM Cc1ncc(CO)c(/C=N/[C@H](CCC(=O)[O-])c2ccccc2)c1O ZINC000738884777 599926209 /nfs/dbraw/zinc/92/62/09/599926209.db2.gz CLSOGBPZTVABKJ-OVEPSTSESA-N -1 0 328.368 2.613 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736117448 599934598 /nfs/dbraw/zinc/93/45/98/599934598.db2.gz KGAGOLQVSLPKPL-LLVKDONJSA-N -1 0 336.461 2.620 20 30 EFEDRM N#Cc1ccc(NCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000739121485 599952022 /nfs/dbraw/zinc/95/20/22/599952022.db2.gz SLTPXIMSYSJXIJ-KRWDZBQOSA-N -1 0 337.379 2.692 20 30 EFEDRM N#Cc1ccc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739121860 599956206 /nfs/dbraw/zinc/95/62/06/599956206.db2.gz XHKUSDOSSRDNLH-ZDUSSCGKSA-N -1 0 343.314 2.961 20 30 EFEDRM Cc1[nH]c(C(=O)Nc2ncccc2OCCCC#N)c(C)c1C(=O)[O-] ZINC000738156443 599963128 /nfs/dbraw/zinc/96/31/28/599963128.db2.gz KCLNCUHKZLFWID-UHFFFAOYSA-N -1 0 342.355 2.660 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000739140097 599974826 /nfs/dbraw/zinc/97/48/26/599974826.db2.gz PCJHIYDZBMWHTR-JZLODUJNSA-N -1 0 342.301 2.792 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000739140094 599974876 /nfs/dbraw/zinc/97/48/76/599974876.db2.gz PCJHIYDZBMWHTR-CTEOGUNLSA-N -1 0 342.301 2.792 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(O[C@H](C)C#N)cc2)NC(=S)N1 ZINC000736975926 599985786 /nfs/dbraw/zinc/98/57/86/599985786.db2.gz VGMVCOZENLGJIZ-MEBBXXQBSA-N -1 0 345.424 2.635 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000739073065 599993148 /nfs/dbraw/zinc/99/31/48/599993148.db2.gz PBKPDUGFRNPZFB-UHFFFAOYSA-N -1 0 331.353 2.776 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000737012311 599993554 /nfs/dbraw/zinc/99/35/54/599993554.db2.gz DHGHSQFSGFMXPI-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccccc2OCC#N)c1 ZINC000737943102 600000408 /nfs/dbraw/zinc/00/04/08/600000408.db2.gz RIXKUUVWOUJPKK-UHFFFAOYSA-N -1 0 326.308 2.548 20 30 EFEDRM Cc1cc(NC(=O)NCc2ccc(OCC#N)cc2)ccc1C(=O)[O-] ZINC000738440130 600012507 /nfs/dbraw/zinc/01/25/07/600012507.db2.gz IMZMLZQVLLJOOB-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM N#Cc1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000739118532 600045117 /nfs/dbraw/zinc/04/51/17/600045117.db2.gz UHGYFCFGYAFPMN-UHFFFAOYSA-N -1 0 326.327 2.645 20 30 EFEDRM C#Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)nc1 ZINC000736091535 600061223 /nfs/dbraw/zinc/06/12/23/600061223.db2.gz YGSKVBHVWGDUQC-UHFFFAOYSA-N -1 0 346.136 2.743 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)nc1 ZINC000736093300 600063454 /nfs/dbraw/zinc/06/34/54/600063454.db2.gz RFJWFDFESZRPQI-UHFFFAOYSA-N -1 0 326.377 2.633 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])c1 ZINC000738701836 600064165 /nfs/dbraw/zinc/06/41/65/600064165.db2.gz GQYNMJYODGKQBH-JBVUFVISSA-N -1 0 348.402 2.940 20 30 EFEDRM O=C([O-])c1cc(F)ccc1CON=Cc1ccc(-n2cncn2)cc1 ZINC000740078891 600081058 /nfs/dbraw/zinc/08/10/58/600081058.db2.gz WJTLHPWAPULDFS-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM N#C[C@@H](C(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000739074488 600099984 /nfs/dbraw/zinc/09/99/84/600099984.db2.gz KMFPIGSXIRUGBC-INIZCTEOSA-N -1 0 336.347 2.665 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739129990 600101011 /nfs/dbraw/zinc/10/10/11/600101011.db2.gz IPGSBDAZRATVQJ-UHFFFAOYSA-N -1 0 335.316 2.588 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cs1 ZINC000736109518 600112451 /nfs/dbraw/zinc/11/24/51/600112451.db2.gz MRNBGTBPZCYQPV-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737919694 600115070 /nfs/dbraw/zinc/11/50/70/600115070.db2.gz AWNNDSOGYZYFQR-UHFFFAOYSA-N -1 0 337.335 2.813 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739123255 600127770 /nfs/dbraw/zinc/12/77/70/600127770.db2.gz OWKWPZINADBOCF-UHFFFAOYSA-N -1 0 328.303 2.838 20 30 EFEDRM C=CCOc1ccccc1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000736113698 600139394 /nfs/dbraw/zinc/13/93/94/600139394.db2.gz ABFIGYFYALPQDB-UHFFFAOYSA-N -1 0 330.292 2.582 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccncc1 ZINC000736096069 600189705 /nfs/dbraw/zinc/18/97/05/600189705.db2.gz HNCADTVOCBYNQY-GJZGRUSLSA-N -1 0 329.400 2.595 20 30 EFEDRM O=C([O-])CSCCC(=O)N1CCCSC1=Nc1ccccc1 ZINC000739846081 600190241 /nfs/dbraw/zinc/19/02/41/600190241.db2.gz WGIKKOQWVRSDNE-UHFFFAOYSA-N -1 0 338.454 2.848 20 30 EFEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)CCSCC(=O)[O-] ZINC000739146986 600193685 /nfs/dbraw/zinc/19/36/85/600193685.db2.gz NPAKVDHRPRDAEV-UHFFFAOYSA-N -1 0 344.392 2.892 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000739132447 600219700 /nfs/dbraw/zinc/21/97/00/600219700.db2.gz QZOOLWVDHHPHTA-OAHLLOKOSA-N -1 0 338.388 2.865 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)CSc1ccc(C#N)cc1 ZINC000738083431 600248089 /nfs/dbraw/zinc/24/80/89/600248089.db2.gz BNJCIVDPHTUHIG-UHFFFAOYSA-N -1 0 343.360 2.963 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736772896 600258361 /nfs/dbraw/zinc/25/83/61/600258361.db2.gz JLQPIEBHRSSVFB-ORAYPTAESA-N -1 0 339.395 2.928 20 30 EFEDRM CN(Cc1ccc(NC(=O)COc2ccccc2C#N)cc1)C(=O)[O-] ZINC000737478328 600283558 /nfs/dbraw/zinc/28/35/58/600283558.db2.gz JVDZTGFODGINKE-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739091682 600292017 /nfs/dbraw/zinc/29/20/17/600292017.db2.gz IVHWQLRMJXXOGZ-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#Cc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739146523 600320363 /nfs/dbraw/zinc/32/03/63/600320363.db2.gz GTBMHALENBUQEX-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739129288 600320404 /nfs/dbraw/zinc/32/04/04/600320404.db2.gz SQPXDBVROQTHGH-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 ZINC000736671308 600327637 /nfs/dbraw/zinc/32/76/37/600327637.db2.gz KNHYORXLXNNGDI-LBPRGKRZSA-N -1 0 338.367 2.765 20 30 EFEDRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccccc1C#N ZINC000736670191 600327808 /nfs/dbraw/zinc/32/78/08/600327808.db2.gz DNGWWNOVDJLRMU-LBPRGKRZSA-N -1 0 338.367 2.765 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736616551 600359456 /nfs/dbraw/zinc/35/94/56/600359456.db2.gz SBAHJUYQPKAMCZ-GFCCVEGCSA-N -1 0 325.320 2.881 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(C(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000736853975 600386214 /nfs/dbraw/zinc/38/62/14/600386214.db2.gz WIIHFCOSABLCNQ-KRWDZBQOSA-N -1 0 338.363 2.833 20 30 EFEDRM N#Cc1ccc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739121045 600390036 /nfs/dbraw/zinc/39/00/36/600390036.db2.gz JXBYZUZASXFBRE-ZDUSSCGKSA-N -1 0 341.323 2.527 20 30 EFEDRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(CC#N)CC(=O)[O-] ZINC000738493539 600400429 /nfs/dbraw/zinc/40/04/29/600400429.db2.gz QCQCPEPDDZALMM-UHFFFAOYSA-N -1 0 343.408 2.786 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000739086912 600401545 /nfs/dbraw/zinc/40/15/45/600401545.db2.gz DLMAHZCDEGJIPG-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000738320286 600401821 /nfs/dbraw/zinc/40/18/21/600401821.db2.gz QCJHVLKAHBDURU-UHFFFAOYSA-N -1 0 345.786 2.798 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCOc1ccccc1-c1ccccc1 ZINC000739078235 600402333 /nfs/dbraw/zinc/40/23/33/600402333.db2.gz ZERFOXQNWZVPAF-UHFFFAOYSA-N -1 0 338.363 2.559 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000739078878 600402409 /nfs/dbraw/zinc/40/24/09/600402409.db2.gz OPARVWDDAXYCGN-UHFFFAOYSA-N -1 0 326.139 2.525 20 30 EFEDRM COc1ccc(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])c(F)c2)cc1 ZINC000737909454 600407151 /nfs/dbraw/zinc/40/71/51/600407151.db2.gz IQBJVNZPLXPHDU-UHFFFAOYSA-N -1 0 342.326 2.552 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000739088688 600408690 /nfs/dbraw/zinc/40/86/90/600408690.db2.gz YPXSFMRBZOEKTJ-UHFFFAOYSA-N -1 0 346.289 2.807 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000739087494 600409664 /nfs/dbraw/zinc/40/96/64/600409664.db2.gz ZXMXCGFZQHXWFZ-UHFFFAOYSA-N -1 0 335.772 2.514 20 30 EFEDRM C=CCc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc(OC)c1OC ZINC000736113818 600427676 /nfs/dbraw/zinc/42/76/76/600427676.db2.gz AWBDHSBJZPUDOA-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737840189 600443103 /nfs/dbraw/zinc/44/31/03/600443103.db2.gz SDIZSTBUYXAPCC-OAHLLOKOSA-N -1 0 331.299 2.789 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739117150 600449330 /nfs/dbraw/zinc/44/93/30/600449330.db2.gz IVQLSQOCSZUVTE-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM N#CCCn1cc(C(=O)CN2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000738428072 600474619 /nfs/dbraw/zinc/47/46/19/600474619.db2.gz JABDRHLKWUQCAV-UHFFFAOYSA-N -1 0 339.395 2.534 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)cc1OC ZINC000737951586 600494852 /nfs/dbraw/zinc/49/48/52/600494852.db2.gz WUFZMSMMKJIZHU-XTBHVRTMSA-N -1 0 345.351 2.750 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000736114511 600519183 /nfs/dbraw/zinc/51/91/83/600519183.db2.gz NIOWRWQCBYHAFX-HNNXBMFYSA-N -1 0 335.400 2.661 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000736201603 600552540 /nfs/dbraw/zinc/55/25/40/600552540.db2.gz JFGOMXIBXIVCSW-SFHVURJKSA-N -1 0 330.384 2.742 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)cc1 ZINC000739107622 600563079 /nfs/dbraw/zinc/56/30/79/600563079.db2.gz YEJIBTORTAGXSU-KRWDZBQOSA-N -1 0 341.436 2.563 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000739102472 600564470 /nfs/dbraw/zinc/56/44/70/600564470.db2.gz XKSCRZZDHHNADO-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM CCOc1ccc(O)c(/C=N/Cc2cccc(OCC(=O)[O-])c2)c1 ZINC000737203615 600567223 /nfs/dbraw/zinc/56/72/23/600567223.db2.gz NTLFGOQHWKNUGX-YBFXNURJSA-N -1 0 329.352 2.873 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000739103593 600567675 /nfs/dbraw/zinc/56/76/75/600567675.db2.gz CAAPKRUJAMZSFR-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000739103596 600567938 /nfs/dbraw/zinc/56/79/38/600567938.db2.gz CAAPKRUJAMZSFR-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736097614 600588348 /nfs/dbraw/zinc/58/83/48/600588348.db2.gz NXXZVEWCZQCHHA-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM C[C@H]1Oc2ccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2NC1=O ZINC000736835789 600590981 /nfs/dbraw/zinc/59/09/81/600590981.db2.gz NCEMHGOVALJXRA-HWPZZCPQSA-N -1 0 337.335 2.515 20 30 EFEDRM C[C@@H]1Oc2ccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2NC1=O ZINC000736835791 600591161 /nfs/dbraw/zinc/59/11/61/600591161.db2.gz NCEMHGOVALJXRA-QFYYESIMSA-N -1 0 337.335 2.515 20 30 EFEDRM CN(C(=O)CSc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737326420 600592411 /nfs/dbraw/zinc/59/24/11/600592411.db2.gz ZCSHYWZDVXVDOH-QGZVFWFLSA-N -1 0 340.404 2.935 20 30 EFEDRM CCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1CO ZINC000737202413 600595603 /nfs/dbraw/zinc/59/56/03/600595603.db2.gz FIOBNZIDMPYBQV-KRWDZBQOSA-N -1 0 326.352 2.687 20 30 EFEDRM C[C@@H](CSCCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000736612740 600595587 /nfs/dbraw/zinc/59/55/87/600595587.db2.gz CTAYUBQUBQBFMD-VIFPVBQESA-N -1 0 338.454 2.891 20 30 EFEDRM COC(=O)NCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737637929 600599281 /nfs/dbraw/zinc/59/92/81/600599281.db2.gz MDMNRPKZHBBVOZ-INIZCTEOSA-N -1 0 339.351 2.652 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])cc1 ZINC000739112264 600599715 /nfs/dbraw/zinc/59/97/15/600599715.db2.gz YMXQPPGJECUVIA-ZWKOTPCHSA-N -1 0 338.363 2.964 20 30 EFEDRM CON=Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737840268 600603129 /nfs/dbraw/zinc/60/31/29/600603129.db2.gz WQNLJVROMJKUER-MRXNPFEDSA-N -1 0 338.319 2.521 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736703414 600603754 /nfs/dbraw/zinc/60/37/54/600603754.db2.gz DWOPYGAODPEQBI-LRDDRELGSA-N -1 0 325.320 2.695 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739108806 600606010 /nfs/dbraw/zinc/60/60/10/600606010.db2.gz GZRPSXFMYOBUOT-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737864063 600606656 /nfs/dbraw/zinc/60/66/56/600606656.db2.gz RMWVDIHGRYPDPL-MRXNPFEDSA-N -1 0 325.320 2.858 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2Cc3ccccc3S2)C(=O)[O-])cc1 ZINC000739109408 600606975 /nfs/dbraw/zinc/60/69/75/600606975.db2.gz KXUOQNHQALQEGZ-CVEARBPZSA-N -1 0 339.372 2.944 20 30 EFEDRM COc1ccc(OC)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738045135 600607553 /nfs/dbraw/zinc/60/75/53/600607553.db2.gz YKNIXUUSKJUJIX-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738640073 600607827 /nfs/dbraw/zinc/60/78/27/600607827.db2.gz XZZASKCIGPYVAD-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736704597 600610416 /nfs/dbraw/zinc/61/04/16/600610416.db2.gz UIEZXBHGBMHLAY-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736704598 600610449 /nfs/dbraw/zinc/61/04/49/600610449.db2.gz UIEZXBHGBMHLAY-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccco3)[nH]n2)C(=O)[O-])cc1 ZINC000739115015 600610453 /nfs/dbraw/zinc/61/04/53/600610453.db2.gz MVKFZTTZDFLOBL-HNNXBMFYSA-N -1 0 337.291 2.524 20 30 EFEDRM COCc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737834324 600610875 /nfs/dbraw/zinc/61/08/75/600610875.db2.gz BLWZBVVPTYFFBL-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM COCc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737834322 600610897 /nfs/dbraw/zinc/61/08/97/600610897.db2.gz BLWZBVVPTYFFBL-INIZCTEOSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000738289293 600611631 /nfs/dbraw/zinc/61/16/31/600611631.db2.gz GHJXFEZODVJCMC-OAHLLOKOSA-N -1 0 341.367 2.801 20 30 EFEDRM CC(=O)c1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736193624 600611705 /nfs/dbraw/zinc/61/17/05/600611705.db2.gz XAFWRQMTYWYCLJ-SFHVURJKSA-N -1 0 337.331 2.672 20 30 EFEDRM CO[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737723779 600611757 /nfs/dbraw/zinc/61/17/57/600611757.db2.gz NYLRLXJHRSIIMB-HOTGVXAUSA-N -1 0 325.320 2.615 20 30 EFEDRM Cc1nc2ccccc2n1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738875645 600612048 /nfs/dbraw/zinc/61/20/48/600612048.db2.gz DYOWOECINOBTRS-SFHVURJKSA-N -1 0 349.346 2.586 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc([N+](=O)[O-])c1 ZINC000738347182 600614756 /nfs/dbraw/zinc/61/47/56/600614756.db2.gz DTEOSESRUIZSKC-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738663866 600614828 /nfs/dbraw/zinc/61/48/28/600614828.db2.gz BCSLUJMOGFWKKJ-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1ccc(F)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1N ZINC000738605043 600614836 /nfs/dbraw/zinc/61/48/36/600614836.db2.gz YTMYPINXVWMBHG-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM Cn1cc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000739029100 600615104 /nfs/dbraw/zinc/61/51/04/600615104.db2.gz PKOHDNKPWRFCNH-LJQANCHMSA-N -1 0 348.358 2.962 20 30 EFEDRM Cn1cc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000739029099 600615247 /nfs/dbraw/zinc/61/52/47/600615247.db2.gz PKOHDNKPWRFCNH-IBGZPJMESA-N -1 0 348.358 2.962 20 30 EFEDRM Cc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2n1 ZINC000738679971 600616822 /nfs/dbraw/zinc/61/68/22/600616822.db2.gz GKZHYFYAVSGVMQ-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739115926 600618109 /nfs/dbraw/zinc/61/81/09/600618109.db2.gz WFXMZUUJVUBYTO-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM COc1cc(C)sc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737870214 600618434 /nfs/dbraw/zinc/61/84/34/600618434.db2.gz FKGUXGVEICRGIY-ZDUSSCGKSA-N -1 0 331.349 2.920 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(OCC(=O)[O-])c1 ZINC000739099316 600624157 /nfs/dbraw/zinc/62/41/57/600624157.db2.gz UGPRVSGFRBZHMU-UHFFFAOYSA-N -1 0 327.296 2.542 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739076052 600631941 /nfs/dbraw/zinc/63/19/41/600631941.db2.gz XXKSYUPQHISRLY-HNNXBMFYSA-N -1 0 344.754 2.798 20 30 EFEDRM NC(=NOCCOc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000739145522 600639117 /nfs/dbraw/zinc/63/91/17/600639117.db2.gz OXDJVYAJLQHZQG-UHFFFAOYSA-N -1 0 334.759 2.754 20 30 EFEDRM Cc1nc(SCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(C#N)c(C)c1C ZINC000738868957 600645308 /nfs/dbraw/zinc/64/53/08/600645308.db2.gz OUDDJIGENPGZOD-CQSZACIVSA-N -1 0 349.456 2.586 20 30 EFEDRM CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495045 600672324 /nfs/dbraw/zinc/67/23/24/600672324.db2.gz FPOGZQNNULCQPR-KRWDZBQOSA-N -1 0 348.362 2.866 20 30 EFEDRM CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495021 600672460 /nfs/dbraw/zinc/67/24/60/600672460.db2.gz DMUIUXYBYCJYHM-QGZVFWFLSA-N -1 0 348.362 2.866 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736700840 600675934 /nfs/dbraw/zinc/67/59/34/600675934.db2.gz NSCOAGJZSNCRBL-LBPRGKRZSA-N -1 0 325.320 2.558 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739139080 600690541 /nfs/dbraw/zinc/69/05/41/600690541.db2.gz DASGSSJWZAHCKB-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000825632138 600692130 /nfs/dbraw/zinc/69/21/30/600692130.db2.gz SRPXBTXUGBLOJW-KRWDZBQOSA-N -1 0 335.315 2.553 20 30 EFEDRM N#CCOc1ccc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000833068355 600700575 /nfs/dbraw/zinc/70/05/75/600700575.db2.gz WSPFNUUIEDUWOA-UHFFFAOYSA-N -1 0 335.319 2.928 20 30 EFEDRM COc1cccc(F)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832558951 600702657 /nfs/dbraw/zinc/70/26/57/600702657.db2.gz ULIMVSUMTNWABB-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM N#Cc1ccccc1SCCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000833076791 600729505 /nfs/dbraw/zinc/72/95/05/600729505.db2.gz PNJVRDYYHRXGAZ-ZSOIEALJSA-N -1 0 334.422 2.542 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cc3cc[nH]n3)c2)c1 ZINC000739350184 600759733 /nfs/dbraw/zinc/75/97/33/600759733.db2.gz SYWGSFDYYIKWEJ-UHFFFAOYSA-N -1 0 345.358 2.689 20 30 EFEDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000736311827 600778401 /nfs/dbraw/zinc/77/84/01/600778401.db2.gz DYRQWOOHFMFOLL-UHFFFAOYSA-N -1 0 342.351 2.713 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1CC1CC1 ZINC000829245594 600783584 /nfs/dbraw/zinc/78/35/84/600783584.db2.gz LHPFGOJVUURZDN-HNNXBMFYSA-N -1 0 329.356 2.766 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC000832956718 600787681 /nfs/dbraw/zinc/78/76/81/600787681.db2.gz XAHOBAZDAGQECG-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM CC(=NOCCOc1ccc(C(=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000825808779 600802402 /nfs/dbraw/zinc/80/24/02/600802402.db2.gz CIKZVEZWLJALNJ-UHFFFAOYSA-N -1 0 337.763 2.591 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000825636967 600803540 /nfs/dbraw/zinc/80/35/40/600803540.db2.gz YCGANGXAFWHQGT-OAHLLOKOSA-N -1 0 328.755 2.662 20 30 EFEDRM C[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1cccc(C#N)c1 ZINC000827682279 600813109 /nfs/dbraw/zinc/81/31/09/600813109.db2.gz VIZHVMWRLCEFJQ-VIFPVBQESA-N -1 0 330.369 2.525 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000736076771 600840948 /nfs/dbraw/zinc/84/09/48/600840948.db2.gz ULYKRUPEVUBUAH-FQEVSTJZSA-N -1 0 337.375 2.819 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000736088699 600841093 /nfs/dbraw/zinc/84/10/93/600841093.db2.gz BKUZKUKYMPAXHX-UHFFFAOYSA-N -1 0 325.320 2.658 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833075616 600872388 /nfs/dbraw/zinc/87/23/88/600872388.db2.gz UMQULUACXVKSOF-KGLIPLIRSA-N -1 0 346.452 2.799 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#N)cc2)c1OC ZINC000737855915 600874616 /nfs/dbraw/zinc/87/46/16/600874616.db2.gz WMDTWAZPSHICKH-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(OC)c(Cl)c2)C(C(=O)[O-])=C1C ZINC000736106339 600884963 /nfs/dbraw/zinc/88/49/63/600884963.db2.gz ADKGJQQSVDGELL-CQSZACIVSA-N -1 0 336.775 2.960 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739121864 600886516 /nfs/dbraw/zinc/88/65/16/600886516.db2.gz XWASCEKNVXKPMZ-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM CCCCn1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]c1=O ZINC000737009096 600936166 /nfs/dbraw/zinc/93/61/66/600936166.db2.gz NWEFLJILZZYNBU-GFCCVEGCSA-N -1 0 332.385 2.573 20 30 EFEDRM CS(=O)(=O)c1ccc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738177517 600937373 /nfs/dbraw/zinc/93/73/73/600937373.db2.gz QLCIEOLSCHHMJP-OAHLLOKOSA-N -1 0 347.417 2.880 20 30 EFEDRM COCCn1c(C)c(C)nc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737826630 600937518 /nfs/dbraw/zinc/93/75/18/600937518.db2.gz LXRLJYDAHKREDW-HNNXBMFYSA-N -1 0 345.424 2.936 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000832916118 600998422 /nfs/dbraw/zinc/99/84/22/600998422.db2.gz QXCQBDKAHFTEST-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM N#CCOc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833068361 601020225 /nfs/dbraw/zinc/02/02/25/601020225.db2.gz WVNNOTQQSOFOLH-MRXNPFEDSA-N -1 0 339.351 2.579 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000736077109 601025027 /nfs/dbraw/zinc/02/50/27/601025027.db2.gz YFCXLGLLLIUWSG-UHFFFAOYSA-N -1 0 341.338 2.959 20 30 EFEDRM C#CCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825605410 601073484 /nfs/dbraw/zinc/07/34/84/601073484.db2.gz CFOJWDILNBWBQP-UHFFFAOYSA-N -1 0 343.152 2.821 20 30 EFEDRM N#Cc1ccc(SCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738434467 601079411 /nfs/dbraw/zinc/07/94/11/601079411.db2.gz GMOPEHLLIQOVCT-INIZCTEOSA-N -1 0 340.404 2.635 20 30 EFEDRM N#CCSCC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833068131 601101574 /nfs/dbraw/zinc/10/15/74/601101574.db2.gz QEEHQOVIMJCPNH-UHFFFAOYSA-N -1 0 348.405 2.808 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC000832984285 601142902 /nfs/dbraw/zinc/14/29/02/601142902.db2.gz OUGQHELSSXENLK-QMMMGPOBSA-N -1 0 326.337 2.516 20 30 EFEDRM N#C[C@@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)Cc1ccccc1 ZINC000833062956 601144821 /nfs/dbraw/zinc/14/48/21/601144821.db2.gz FYVVREGAUGYMHV-HNNXBMFYSA-N -1 0 339.347 2.689 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000013311753 601184807 /nfs/dbraw/zinc/18/48/07/601184807.db2.gz UWYWEGLLNQBQDS-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccccn3)no2)C(=O)[O-])cc1 ZINC000833073087 601194800 /nfs/dbraw/zinc/19/48/00/601194800.db2.gz VKYJNGMNGIARMC-INIZCTEOSA-N -1 0 349.302 2.591 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2cccc(C#N)c2)c1C ZINC000832866180 601206500 /nfs/dbraw/zinc/20/65/00/601206500.db2.gz HXRXOOIHDNJHLT-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000825705800 601207022 /nfs/dbraw/zinc/20/70/22/601207022.db2.gz SIXKFRLTVSHATK-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM Cc1oc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)cc1C(=O)[O-] ZINC000832971815 601233923 /nfs/dbraw/zinc/23/39/23/601233923.db2.gz VDDTXVLWNGYGSM-UHFFFAOYSA-N -1 0 348.380 2.704 20 30 EFEDRM Cc1oc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832934372 601234108 /nfs/dbraw/zinc/23/41/08/601234108.db2.gz DBYBPKBNQCJXKH-UHFFFAOYSA-N -1 0 348.380 2.704 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832970392 601236567 /nfs/dbraw/zinc/23/65/67/601236567.db2.gz JAYMZHYPFGXKDG-KCQAQPDRSA-N -1 0 328.368 2.533 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064593 601237026 /nfs/dbraw/zinc/23/70/26/601237026.db2.gz SSAGJKZMNGOKBV-UTUOFQBUSA-N -1 0 348.786 2.878 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C#N)c(F)c2)c1C ZINC000832866635 601241005 /nfs/dbraw/zinc/24/10/05/601241005.db2.gz ONVKZXDOLVAXBF-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cc1C(=O)[O-] ZINC000832948864 601266524 /nfs/dbraw/zinc/26/65/24/601266524.db2.gz IPERMGBFRNTMLM-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C#Cc1ccccc1)CC3 ZINC000833324214 601275545 /nfs/dbraw/zinc/27/55/45/601275545.db2.gz OMIRWWIFPXKCAS-UHFFFAOYSA-N -1 0 344.370 2.803 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833040416 601284212 /nfs/dbraw/zinc/28/42/12/601284212.db2.gz GELTXHXLMAEJBA-UHFFFAOYSA-N -1 0 339.376 2.740 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000833065159 601286338 /nfs/dbraw/zinc/28/63/38/601286338.db2.gz UIKOFHBWRJPRBU-CYBMUJFWSA-N -1 0 349.268 2.793 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000826032110 601296465 /nfs/dbraw/zinc/29/64/65/601296465.db2.gz YLXDVPFZTAAJMK-ACJLOTCBSA-N -1 0 338.363 2.515 20 30 EFEDRM CCn1c(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)nc2ccccc21 ZINC000830412070 601298165 /nfs/dbraw/zinc/29/81/65/601298165.db2.gz LRXPYUOQRLAMNG-SFHVURJKSA-N -1 0 334.379 2.843 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc3c(c2)NC(=O)CS3)C(=O)[O-])c1 ZINC000833076456 601298812 /nfs/dbraw/zinc/29/88/12/601298812.db2.gz VJIDJJVGQVQQOO-MRXNPFEDSA-N -1 0 339.376 2.840 20 30 EFEDRM COCCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831779405 601301178 /nfs/dbraw/zinc/30/11/78/601301178.db2.gz MLYZTGHCRQGHMJ-KRWDZBQOSA-N -1 0 326.352 2.821 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(CN3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833076620 601301434 /nfs/dbraw/zinc/30/14/34/601301434.db2.gz XJGDGCXDAACLMD-IBGZPJMESA-N -1 0 349.390 2.918 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831083715 601305319 /nfs/dbraw/zinc/30/53/19/601305319.db2.gz BINQZFHWKCMXLG-INIZCTEOSA-N -1 0 339.351 2.652 20 30 EFEDRM COC(=O)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831379140 601329941 /nfs/dbraw/zinc/32/99/41/601329941.db2.gz KZBKJRFJSFUKAM-GOOGBFEESA-N -1 0 340.335 2.658 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1 ZINC000831785099 601331715 /nfs/dbraw/zinc/33/17/15/601331715.db2.gz ZSGLVBYFEMNEHJ-VURMDHGXSA-N -1 0 333.315 2.773 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])cc1 ZINC000832922657 601339033 /nfs/dbraw/zinc/33/90/33/601339033.db2.gz GINGTKCPCNNUOD-OAHLLOKOSA-N -1 0 341.342 2.996 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000832951666 601344311 /nfs/dbraw/zinc/34/43/11/601344311.db2.gz SMCQGPZYXLUSHR-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cc(C)cc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832879076 601344451 /nfs/dbraw/zinc/34/44/51/601344451.db2.gz RJAMITAWXKCASX-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000832867943 601344853 /nfs/dbraw/zinc/34/48/53/601344853.db2.gz GWUSFGHQHVVJTL-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cccc(C)c1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832965913 601345158 /nfs/dbraw/zinc/34/51/58/601345158.db2.gz ULCUFUXXEYPTBY-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)c(N)c2)C(=O)[O-])c1 ZINC000833077360 601345483 /nfs/dbraw/zinc/34/54/83/601345483.db2.gz QFKMPNIXTGNGPG-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(F)c1 ZINC000832212559 601345834 /nfs/dbraw/zinc/34/58/34/601345834.db2.gz INGDWPAXCWBARF-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890702 601346407 /nfs/dbraw/zinc/34/64/07/601346407.db2.gz XLLUHLMIANPUFV-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccccc3)[nH]n2)C(=O)[O-])c1 ZINC000833076096 601346487 /nfs/dbraw/zinc/34/64/87/601346487.db2.gz ISYUDCAEMDMQRQ-QGZVFWFLSA-N -1 0 347.330 2.931 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832951198 601346603 /nfs/dbraw/zinc/34/66/03/601346603.db2.gz LAZDCOYGPDIZTG-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000827049808 601348103 /nfs/dbraw/zinc/34/81/03/601348103.db2.gz ZFGNNOYELWPQGI-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000827049810 601348197 /nfs/dbraw/zinc/34/81/97/601348197.db2.gz ZFGNNOYELWPQGI-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])c1 ZINC000833077602 601351448 /nfs/dbraw/zinc/35/14/48/601351448.db2.gz XHVFFAIFEJKQGQ-AWEZNQCLSA-N -1 0 333.246 2.525 20 30 EFEDRM CC(=O)c1csc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825967436 601352411 /nfs/dbraw/zinc/35/24/11/601352411.db2.gz XGKQQSSRRGUHCI-CQSZACIVSA-N -1 0 329.333 2.805 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000833077362 601352500 /nfs/dbraw/zinc/35/25/00/601352500.db2.gz QJXKOFDTRSTWDP-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828251921 601353393 /nfs/dbraw/zinc/35/33/93/601353393.db2.gz NSWLDDWMLUDTGN-VMGRFDJRSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1cc(C)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831972796 601353865 /nfs/dbraw/zinc/35/38/65/601353865.db2.gz RBHHEPHVWYRPDK-ZDUSSCGKSA-N -1 0 331.349 2.920 20 30 EFEDRM CCCc1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829570605 601354700 /nfs/dbraw/zinc/35/47/00/601354700.db2.gz JNTYBHSZFPIOEQ-AWEZNQCLSA-N -1 0 330.365 2.950 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000829340801 601404358 /nfs/dbraw/zinc/40/43/58/601404358.db2.gz UAOHYQQMRXSOMP-CYBMUJFWSA-N -1 0 344.820 2.523 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000830375314 601416018 /nfs/dbraw/zinc/41/60/18/601416018.db2.gz MIXHVOMBQGXENY-UHFFFAOYSA-N -1 0 339.395 2.734 20 30 EFEDRM C#CCSCCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000825631661 601417812 /nfs/dbraw/zinc/41/78/12/601417812.db2.gz HXKIEUUCUDDQBF-ZDUSSCGKSA-N -1 0 340.832 2.521 20 30 EFEDRM C/C(=C\COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000825775473 601423279 /nfs/dbraw/zinc/42/32/79/601423279.db2.gz SKCPAWDVRSHKDR-XYOKQWHBSA-N -1 0 341.319 2.918 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)[nH]1 ZINC000833095832 601445904 /nfs/dbraw/zinc/44/59/04/601445904.db2.gz ZZNZRPOJRFEZOF-FNORWQNLSA-N -1 0 326.308 2.566 20 30 EFEDRM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832858641 601536658 /nfs/dbraw/zinc/53/66/58/601536658.db2.gz CVOWDYRSTCEHDT-UHFFFAOYSA-N -1 0 338.363 2.915 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(N)c(F)ccc2Cl)C(=O)[O-])c1 ZINC000833077095 601567402 /nfs/dbraw/zinc/56/74/02/601567402.db2.gz LCEKRUVEXFKCPY-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM Cc1nc(=O)[nH]c(SCC#Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000832842441 601577438 /nfs/dbraw/zinc/57/74/38/601577438.db2.gz BQGFQQKFBCFATK-UHFFFAOYSA-N -1 0 334.784 2.986 20 30 EFEDRM N#Cc1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833075409 601582862 /nfs/dbraw/zinc/58/28/62/601582862.db2.gz RABQZBLINNHGAV-INIZCTEOSA-N -1 0 344.754 2.533 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833070951 601582999 /nfs/dbraw/zinc/58/29/99/601582999.db2.gz BRZBRXKXLSVOQZ-MRXNPFEDSA-N -1 0 328.755 2.696 20 30 EFEDRM Cc1nc(Cl)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833001210 601591141 /nfs/dbraw/zinc/59/11/41/601591141.db2.gz XAYWJLKVWMJMAC-JTQLQIEISA-N -1 0 336.756 2.959 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000826722305 601603666 /nfs/dbraw/zinc/60/36/66/601603666.db2.gz GKXQIONXTXBXAY-INIZCTEOSA-N -1 0 344.411 2.723 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000833071974 601605388 /nfs/dbraw/zinc/60/53/88/601605388.db2.gz KNHCNWSSRFFQIE-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000833069080 601664689 /nfs/dbraw/zinc/66/46/89/601664689.db2.gz UEIIWFKAKHTTBE-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM CC[C@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000828976308 601676117 /nfs/dbraw/zinc/67/61/17/601676117.db2.gz GPZXLJNRGVPVCZ-KRWDZBQOSA-N -1 0 338.363 2.730 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(F)c1 ZINC000833068992 601682453 /nfs/dbraw/zinc/68/24/53/601682453.db2.gz REIIOQUQFLHTNS-MRXNPFEDSA-N -1 0 342.301 2.661 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000827038527 601785151 /nfs/dbraw/zinc/78/51/51/601785151.db2.gz QAQSHFMZABYVCU-DGCLKSJQSA-N -1 0 331.372 2.530 20 30 EFEDRM O=C([O-])c1cc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c[nH]1 ZINC000833298103 601792498 /nfs/dbraw/zinc/79/24/98/601792498.db2.gz NNCMZJXFGQUFRU-IWQZZHSRSA-N -1 0 326.230 2.728 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1NC(C)=O ZINC000832157832 601793111 /nfs/dbraw/zinc/79/31/11/601793111.db2.gz ZYAMFMLWTXSFIE-HWKANZROSA-N -1 0 328.324 2.576 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000825609042 601811938 /nfs/dbraw/zinc/81/19/38/601811938.db2.gz PDIAZLMFCSSPQW-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000013342129 601832439 /nfs/dbraw/zinc/83/24/39/601832439.db2.gz OUFAIRBNEADCCK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-n3cccc3)nc2)C(=O)[O-])c1 ZINC000833075631 601846739 /nfs/dbraw/zinc/84/67/39/601846739.db2.gz CPAQAYPMBQHKOJ-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM C=CCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825711019 601863373 /nfs/dbraw/zinc/86/33/73/601863373.db2.gz LQIAXSWAUQFWPU-SNVBAGLBSA-N -1 0 325.777 2.741 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000819713580 601879777 /nfs/dbraw/zinc/87/97/77/601879777.db2.gz UYNNNWFDMZYBEQ-INIZCTEOSA-N -1 0 325.368 2.896 20 30 EFEDRM C[C@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000828128428 601896384 /nfs/dbraw/zinc/89/63/84/601896384.db2.gz UABBKMWNXNTXPT-AZUAARDMSA-N -1 0 336.391 2.932 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833067607 601904737 /nfs/dbraw/zinc/90/47/37/601904737.db2.gz GROAHPNGGMYISE-UKRRQHHQSA-N -1 0 330.384 2.742 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000827879393 601915271 /nfs/dbraw/zinc/91/52/71/601915271.db2.gz OLXYKIAVXGRIGO-XKQJLSEDSA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833069419 601940793 /nfs/dbraw/zinc/94/07/93/601940793.db2.gz XOJOWSGAAOGJMY-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000825625506 602042691 /nfs/dbraw/zinc/04/26/91/602042691.db2.gz HVUHHTANWBLIAM-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C[C@H](Oc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000794855423 602065341 /nfs/dbraw/zinc/06/53/41/602065341.db2.gz SSPXGPMXZPGCIP-NSHDSACASA-N -1 0 329.312 2.893 20 30 EFEDRM N#CCSCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833068420 602083629 /nfs/dbraw/zinc/08/36/29/602083629.db2.gz YRKASADJUDXANQ-LLVKDONJSA-N -1 0 334.180 2.919 20 30 EFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831949958 602095147 /nfs/dbraw/zinc/09/51/47/602095147.db2.gz IXAIUDYTAYIRMO-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000827309475 602100312 /nfs/dbraw/zinc/10/03/12/602100312.db2.gz ATMHTJJXXDRLEH-LLVKDONJSA-N -1 0 325.324 2.795 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(CC#N)ccn1)C(=O)[O-] ZINC000827914705 602107667 /nfs/dbraw/zinc/10/76/67/602107667.db2.gz CYIFBRSDIKMEBE-LLVKDONJSA-N -1 0 341.392 2.965 20 30 EFEDRM N#Cc1ccc(-c2nnc(CNc3ccc(CNC(=O)[O-])cc3)o2)cc1 ZINC000833070878 602129180 /nfs/dbraw/zinc/12/91/80/602129180.db2.gz UUDFJEKHXKEURW-UHFFFAOYSA-N -1 0 349.350 2.988 20 30 EFEDRM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000827717454 602131144 /nfs/dbraw/zinc/13/11/44/602131144.db2.gz HWHKYGXDQIYSCE-UGSOOPFHSA-N -1 0 347.378 2.615 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)o1 ZINC000833312685 602150313 /nfs/dbraw/zinc/15/03/13/602150313.db2.gz SYSIDLWKQXPCRS-XQRVVYSFSA-N -1 0 345.326 2.850 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000827241010 602182255 /nfs/dbraw/zinc/18/22/55/602182255.db2.gz QXNISIPCPVCZLJ-VXNVDRBHSA-N -1 0 343.166 2.752 20 30 EFEDRM C=CCCS(=O)(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000825676156 602206031 /nfs/dbraw/zinc/20/60/31/602206031.db2.gz XTSZYFPZWVCGAO-UHFFFAOYSA-N -1 0 325.411 2.595 20 30 EFEDRM C#CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825605499 602228729 /nfs/dbraw/zinc/22/87/29/602228729.db2.gz HLSIQMWRMYUZSV-UHFFFAOYSA-N -1 0 326.352 2.838 20 30 EFEDRM N#Cc1ccc(NC(=S)NC2CCN(C(=O)[O-])CC2)cc1Cl ZINC000738430917 602232679 /nfs/dbraw/zinc/23/26/79/602232679.db2.gz LUHSSKDKKZZMAP-UHFFFAOYSA-N -1 0 338.820 2.640 20 30 EFEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CNC(=O)[O-] ZINC000738239621 602249961 /nfs/dbraw/zinc/24/99/61/602249961.db2.gz KUOLRWNZLIXELC-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM COC(=O)c1sc(N)c(C(=O)[O-])c1CSc1cccc(C#N)c1 ZINC000831475876 602289831 /nfs/dbraw/zinc/28/98/31/602289831.db2.gz QIMDEMKBGYMDQL-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM CC(C)[C@@H](Sc1cccc(C#N)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826722263 602289898 /nfs/dbraw/zinc/28/98/98/602289898.db2.gz FYWDUDAPYOENNT-MRXNPFEDSA-N -1 0 346.452 2.998 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000833066416 602295774 /nfs/dbraw/zinc/29/57/74/602295774.db2.gz YGUHUDXVXCYAHB-YRNVUSSQSA-N -1 0 346.692 2.722 20 30 EFEDRM CN(C(=O)CNc1ccc(C(=O)[O-])c(F)c1)C1(C#N)CCCCC1 ZINC000830486441 602305041 /nfs/dbraw/zinc/30/50/41/602305041.db2.gz ZVLYJIHRRZMXLK-UHFFFAOYSA-N -1 0 333.363 2.621 20 30 EFEDRM CN(C(=O)c1cc2ccccc2n1CC#N)c1ncc(C(=O)[O-])s1 ZINC000830522670 602335122 /nfs/dbraw/zinc/33/51/22/602335122.db2.gz AETHPGYQEKGKMY-UHFFFAOYSA-N -1 0 340.364 2.596 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833067600 602383217 /nfs/dbraw/zinc/38/32/17/602383217.db2.gz GQEAFVATNJUKHO-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)ccc1F ZINC000738431505 603132804 /nfs/dbraw/zinc/13/28/04/603132804.db2.gz ZXJBHKVYMYASMA-UHFFFAOYSA-N -1 0 336.300 2.555 20 30 EFEDRM N#Cc1ccc(NC(=S)N[C@@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000739121566 603172695 /nfs/dbraw/zinc/17/26/95/603172695.db2.gz SXWWSAIRIGTWSV-LLVKDONJSA-N -1 0 338.820 2.640 20 30 EFEDRM C=CCNC(=O)c1ccc(NCCc2ccc(NC(=O)[O-])cc2)nc1 ZINC000736105930 603573165 /nfs/dbraw/zinc/57/31/65/603573165.db2.gz OVUWHZGBJZYNJG-UHFFFAOYSA-N -1 0 340.383 2.742 20 30 EFEDRM N#Cc1ccc(CCC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739117177 604250796 /nfs/dbraw/zinc/25/07/96/604250796.db2.gz JMCLYVBEOIXSHZ-UHFFFAOYSA-N -1 0 337.379 2.940 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825687772 604273558 /nfs/dbraw/zinc/27/35/58/604273558.db2.gz VZENXAVCOYUDBF-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833065998 604304198 /nfs/dbraw/zinc/30/41/98/604304198.db2.gz QYCZTCBUSVRJTL-UHFFFAOYSA-N -1 0 343.314 2.854 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000830819434 604431878 /nfs/dbraw/zinc/43/18/78/604431878.db2.gz MGUNCVVIMSIEKD-UHFFFAOYSA-N -1 0 329.743 2.577 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000825692302 604432846 /nfs/dbraw/zinc/43/28/46/604432846.db2.gz PNJVGXUCIUABFB-GFCCVEGCSA-N -1 0 336.344 2.863 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000825664723 604510243 /nfs/dbraw/zinc/51/02/43/604510243.db2.gz JRXSELFZVICSQA-HNNXBMFYSA-N -1 0 337.441 2.868 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000833468859 604515168 /nfs/dbraw/zinc/51/51/68/604515168.db2.gz RMIOJUUALNYOAU-PWSUYJOCSA-N -1 0 344.198 2.966 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000833469684 604517979 /nfs/dbraw/zinc/51/79/79/604517979.db2.gz YCLYIPOARFBPCP-CABCVRRESA-N -1 0 331.416 2.957 20 30 EFEDRM CNC(=O)c1ccc(Cl)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC000833700982 604539002 /nfs/dbraw/zinc/53/90/02/604539002.db2.gz YIZYXELXLBMHKL-UHFFFAOYSA-N -1 0 343.770 2.882 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-])OCC ZINC000833367790 604542038 /nfs/dbraw/zinc/54/20/38/604542038.db2.gz VKORGKHBDJZEKY-CYBMUJFWSA-N -1 0 337.372 2.712 20 30 EFEDRM CCOc1ccc(C[C@@H](CNc2cccc(C#N)n2)C(=O)[O-])cc1 ZINC000833664670 604558256 /nfs/dbraw/zinc/55/82/56/604558256.db2.gz WEAVVULTECZTMM-AWEZNQCLSA-N -1 0 325.368 2.707 20 30 EFEDRM C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000833523207 604560049 /nfs/dbraw/zinc/56/00/49/604560049.db2.gz YWJVSKPIZYWAOI-CYBMUJFWSA-N -1 0 337.379 2.859 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833538005 604580524 /nfs/dbraw/zinc/58/05/24/604580524.db2.gz ACDVPXAACQXWJY-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C[C@@H]1CCC[C@@H](OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833611751 604583082 /nfs/dbraw/zinc/58/30/82/604583082.db2.gz ZLHXKUCPLMMGMF-TZMCWYRMSA-N -1 0 331.368 2.895 20 30 EFEDRM C[C@H]1CCC[C@@H](OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833611745 604583124 /nfs/dbraw/zinc/58/31/24/604583124.db2.gz ZLHXKUCPLMMGMF-GXTWGEPZSA-N -1 0 331.368 2.895 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2ccc(C#N)s2)C(=O)[O-])c1 ZINC000832080389 604595930 /nfs/dbraw/zinc/59/59/30/604595930.db2.gz IZDBCCJNJQGCPI-CQSZACIVSA-N -1 0 347.348 2.620 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2cc(C#N)cs2)C(=O)[O-])c1 ZINC000832075254 604597318 /nfs/dbraw/zinc/59/73/18/604597318.db2.gz XEXMWUBYYRXYRO-AWEZNQCLSA-N -1 0 347.348 2.620 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833696938 604603653 /nfs/dbraw/zinc/60/36/53/604603653.db2.gz YKXGWQCFABNGFX-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc2N(C)C1=O ZINC000833629306 604616092 /nfs/dbraw/zinc/61/60/92/604616092.db2.gz HKONASGSSMQHBN-CYBMUJFWSA-N -1 0 349.390 2.876 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000826642204 604616345 /nfs/dbraw/zinc/61/63/45/604616345.db2.gz RYJNXLFNGANWED-UHFFFAOYSA-N -1 0 329.308 2.750 20 30 EFEDRM C[C@@H](Oc1ccc(CN(CCC#N)Cc2ccccn2)cc1)C(=O)[O-] ZINC000833539119 604632894 /nfs/dbraw/zinc/63/28/94/604632894.db2.gz WRVJLVFICIGTLW-OAHLLOKOSA-N -1 0 339.395 2.849 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833360156 604638107 /nfs/dbraw/zinc/63/81/07/604638107.db2.gz FFDLNPPMOMPEOF-KRWDZBQOSA-N -1 0 343.404 2.569 20 30 EFEDRM C[C@@H](Oc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1)C(=O)[O-] ZINC000833538152 604685538 /nfs/dbraw/zinc/68/55/38/604685538.db2.gz QYHRFVGSOHZMNF-BVRAVYJCSA-N -1 0 339.347 2.852 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2cc(F)c(F)cc2F)C(=O)[O-])cc1 ZINC000833072464 604692551 /nfs/dbraw/zinc/69/25/51/604692551.db2.gz MWNLPPVTWCFXMT-INIZCTEOSA-N -1 0 349.264 2.887 20 30 EFEDRM CN(C(=O)CCCCOc1cccc(C#N)c1)C1(C(=O)[O-])CCCC1 ZINC000830471996 604715914 /nfs/dbraw/zinc/71/59/14/604715914.db2.gz MYMINHOTZMQPLC-UHFFFAOYSA-N -1 0 344.411 2.963 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000825692215 604741329 /nfs/dbraw/zinc/74/13/29/604741329.db2.gz NQIYXXPMEHCXME-LBPRGKRZSA-N -1 0 349.387 2.826 20 30 EFEDRM C=CCNc1ncc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000825692163 604741342 /nfs/dbraw/zinc/74/13/42/604741342.db2.gz LGMSQYRJZQKRLP-CYBMUJFWSA-N -1 0 345.424 2.648 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833747547 604745529 /nfs/dbraw/zinc/74/55/29/604745529.db2.gz VGKMXFMTZAFCPV-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000826799887 604748092 /nfs/dbraw/zinc/74/80/92/604748092.db2.gz BEHKEQQUMNJHEI-CQSZACIVSA-N -1 0 333.388 2.966 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1C#N ZINC000832794206 604750537 /nfs/dbraw/zinc/75/05/37/604750537.db2.gz FLICZHKDEKNQQG-LLVKDONJSA-N -1 0 345.424 2.632 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000777362140 604760548 /nfs/dbraw/zinc/76/05/48/604760548.db2.gz UOMCWXIVVSPVFY-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM O=C([O-])c1ccc(-c2nnn(CC#Cc3cccc(Cl)c3)n2)cc1 ZINC000833307214 604791952 /nfs/dbraw/zinc/79/19/52/604791952.db2.gz CKKSJLFSFGSMJU-UHFFFAOYSA-N -1 0 338.754 2.743 20 30 EFEDRM Cc1ccc(C#N)cc1NCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000832910637 604799754 /nfs/dbraw/zinc/79/97/54/604799754.db2.gz XMDHWQRALFDWBK-UHFFFAOYSA-N -1 0 338.367 2.685 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000135364724 604805921 /nfs/dbraw/zinc/80/59/21/604805921.db2.gz JGWKUJCONBVDOE-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000833073248 604850208 /nfs/dbraw/zinc/85/02/08/604850208.db2.gz YGUQQAGIRMYSTA-UHFFFAOYSA-N -1 0 344.754 2.856 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833076731 604851068 /nfs/dbraw/zinc/85/10/68/604851068.db2.gz NYWWHDYJBFSKBP-UHFFFAOYSA-N -1 0 329.283 2.631 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833366331 604867711 /nfs/dbraw/zinc/86/77/11/604867711.db2.gz RIIILTWRPMIWNE-UHFFFAOYSA-N -1 0 335.319 2.525 20 30 EFEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832970251 604881920 /nfs/dbraw/zinc/88/19/20/604881920.db2.gz FGBLJJKULLYETP-AWEZNQCLSA-N -1 0 340.310 2.794 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000833416351 604894397 /nfs/dbraw/zinc/89/43/97/604894397.db2.gz XTCMFSDFVSAZPI-INIZCTEOSA-N -1 0 328.412 2.840 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC000833373541 604894658 /nfs/dbraw/zinc/89/46/58/604894658.db2.gz RWKMVBXCPKDICO-DLBZAZTESA-N -1 0 346.427 2.561 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000821336249 604912217 /nfs/dbraw/zinc/91/22/17/604912217.db2.gz WQPLXPIXEJXYPO-UHFFFAOYSA-N -1 0 346.346 2.577 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829692972 604918403 /nfs/dbraw/zinc/91/84/03/604918403.db2.gz SAJCIPFPLVWQCY-UHFFFAOYSA-N -1 0 325.752 2.571 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825614018 604960782 /nfs/dbraw/zinc/96/07/82/604960782.db2.gz AXAPCADOOBVBOB-UHFFFAOYSA-N -1 0 329.302 2.939 20 30 EFEDRM C[C@]1(NC(=O)CSc2ccc(C#N)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833569633 604961716 /nfs/dbraw/zinc/96/17/16/604961716.db2.gz OIVCTKICIBGNTI-PBHICJAKSA-N -1 0 332.425 2.800 20 30 EFEDRM CCCN(CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000829472878 604965425 /nfs/dbraw/zinc/96/54/25/604965425.db2.gz CBCZVBZVVIYFNO-UHFFFAOYSA-N -1 0 327.384 2.534 20 30 EFEDRM C=CCN(C(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC000833375325 604974322 /nfs/dbraw/zinc/97/43/22/604974322.db2.gz QVFGHPDTGJVXQV-UHFFFAOYSA-N -1 0 338.385 2.724 20 30 EFEDRM N#CCSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000324018439 604995754 /nfs/dbraw/zinc/99/57/54/604995754.db2.gz LJOASCFUUDVSQW-HNNXBMFYSA-N -1 0 340.404 2.728 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000833417241 604997026 /nfs/dbraw/zinc/99/70/26/604997026.db2.gz NWFFSMMIGMDDCV-NSHDSACASA-N -1 0 335.791 2.570 20 30 EFEDRM C=CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833370216 605020528 /nfs/dbraw/zinc/02/05/28/605020528.db2.gz JPDYKKMSVLAHPA-SNVBAGLBSA-N -1 0 338.385 2.856 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000833406510 605038252 /nfs/dbraw/zinc/03/82/52/605038252.db2.gz NEMBOYMXMZAGPG-VIFPVBQESA-N -1 0 326.278 2.994 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ncccc1C(F)(F)F ZINC000833407619 605039213 /nfs/dbraw/zinc/03/92/13/605039213.db2.gz UDDAMKZGPWXZNC-SECBINFHSA-N -1 0 326.278 2.994 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000833377625 605041061 /nfs/dbraw/zinc/04/10/61/605041061.db2.gz GGHQWXINZVHDIR-UHFFFAOYSA-N -1 0 334.349 2.717 20 30 EFEDRM C#CCOc1ccc([C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833367160 605054748 /nfs/dbraw/zinc/05/47/48/605054748.db2.gz QUJLTDGTVQAVHV-CJNGLKHVSA-N -1 0 333.384 2.985 20 30 EFEDRM C#CCOc1ccc([C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000833367159 605054885 /nfs/dbraw/zinc/05/48/85/605054885.db2.gz QUJLTDGTVQAVHV-BBRMVZONSA-N -1 0 333.384 2.985 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833373209 605057205 /nfs/dbraw/zinc/05/72/05/605057205.db2.gz HOQFWRGKUQIIMO-JTQLQIEISA-N -1 0 338.791 2.838 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833636579 605086636 /nfs/dbraw/zinc/08/66/36/605086636.db2.gz WLUIBMHRBYKLOB-UYSNPLJNSA-N -1 0 344.411 2.875 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000833367431 605102778 /nfs/dbraw/zinc/10/27/78/605102778.db2.gz XXUZPIWBJXJTOE-UHFFFAOYSA-N -1 0 336.363 2.850 20 30 EFEDRM CC(=NNc1cccc(S(C)(=O)=O)c1)c1ccc(C(=O)[O-])cc1 ZINC000833387214 605122001 /nfs/dbraw/zinc/12/20/01/605122001.db2.gz UYYULBHJGIOAKQ-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM CC(C)N(CC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833496941 605148290 /nfs/dbraw/zinc/14/82/90/605148290.db2.gz SVUKZUYFYZSMJE-UHFFFAOYSA-N -1 0 332.400 2.809 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000833613921 605150884 /nfs/dbraw/zinc/15/08/84/605150884.db2.gz WPBZETNMBKUAFC-WFASDCNBSA-N -1 0 349.456 2.527 20 30 EFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cc(O)cc(O)c2)cc1)C(=O)[O-] ZINC000833539348 605166000 /nfs/dbraw/zinc/16/60/00/605166000.db2.gz YZNGZDGNVODZCD-IBHLPDHGSA-N -1 0 328.320 2.846 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000833368057 605166808 /nfs/dbraw/zinc/16/68/08/605166808.db2.gz ZWJNHWMDLCOAIN-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM C=CCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833373512 605174416 /nfs/dbraw/zinc/17/44/16/605174416.db2.gz RBKXZCLSUIKXQJ-CYBMUJFWSA-N -1 0 326.190 2.999 20 30 EFEDRM CN(CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1C(=O)[O-] ZINC000833691075 605199618 /nfs/dbraw/zinc/19/96/18/605199618.db2.gz IKRYBWOQKDTNRM-UHFFFAOYSA-N -1 0 329.400 2.506 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833373725 605210671 /nfs/dbraw/zinc/21/06/71/605210671.db2.gz ZLQOIXOHPWMIGS-AWEZNQCLSA-N -1 0 335.381 2.964 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 ZINC000833410770 605215296 /nfs/dbraw/zinc/21/52/96/605215296.db2.gz GMRSYGKIDFMXPE-KUHUBIRLSA-N -1 0 336.391 2.873 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1ccccc1CC#N ZINC000833681175 605223487 /nfs/dbraw/zinc/22/34/87/605223487.db2.gz VYYCLIHLHZNEJU-UHFFFAOYSA-N -1 0 327.336 2.892 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 ZINC000833415735 605233315 /nfs/dbraw/zinc/23/33/15/605233315.db2.gz UNPWGVYVIUZDAN-INIZCTEOSA-N -1 0 328.412 2.645 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(Br)cc2C#N)O1 ZINC000833577449 605236780 /nfs/dbraw/zinc/23/67/80/605236780.db2.gz HPFNDPQASAMFBF-LLVKDONJSA-N -1 0 338.157 2.847 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833374030 605249075 /nfs/dbraw/zinc/24/90/75/605249075.db2.gz OBFYIKREBGFYQT-SECBINFHSA-N -1 0 333.356 2.686 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000833366551 605299915 /nfs/dbraw/zinc/29/99/15/605299915.db2.gz CQQYPDUDWWXDOP-UHFFFAOYSA-N -1 0 329.327 2.913 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NC2CCN(C(=O)[O-])CC2)cc1C#N ZINC000824418271 605307614 /nfs/dbraw/zinc/30/76/14/605307614.db2.gz KDXUZDLGPHBECY-UHFFFAOYSA-N -1 0 346.387 2.609 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2cc(-n3ccnc3)cs2)C(C(=O)[O-])=C1C ZINC000833377504 605338897 /nfs/dbraw/zinc/33/88/97/605338897.db2.gz ZKFGEGOTLGWKLG-CQSZACIVSA-N -1 0 344.396 2.545 20 30 EFEDRM C=CCN(Cc1ccccc1C(=O)[O-])S(=O)(=O)c1cccs1 ZINC000833375592 605351450 /nfs/dbraw/zinc/35/14/50/605351450.db2.gz AMAQVOMZTYOCGT-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM CC(=O)N1CCC(=NNc2ccccc2C(=O)[O-])c2ccccc2C1 ZINC000778540813 605417765 /nfs/dbraw/zinc/41/77/65/605417765.db2.gz UOAFHCOJDRVPLT-UHFFFAOYSA-N -1 0 337.379 2.953 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833374712 605445585 /nfs/dbraw/zinc/44/55/85/605445585.db2.gz ZFNYGIUOHQNSNV-UHFFFAOYSA-N -1 0 349.408 2.538 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000833374289 605445856 /nfs/dbraw/zinc/44/58/56/605445856.db2.gz FKHVWSBESXYXRK-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM C#CCCCCCC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000833361875 605629587 /nfs/dbraw/zinc/62/95/87/605629587.db2.gz QJXYYHUJYFPCPE-GFCCVEGCSA-N -1 0 348.374 2.551 20 30 EFEDRM C=C(C)[C@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)OCC ZINC000833367784 605638718 /nfs/dbraw/zinc/63/87/18/605638718.db2.gz VBTAWHZQSFMYCW-HNNXBMFYSA-N -1 0 332.400 2.645 20 30 EFEDRM C#CCCCCCC(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833361846 605673363 /nfs/dbraw/zinc/67/33/63/605673363.db2.gz OIWWDTCUVBVZPG-ZDUSSCGKSA-N -1 0 349.408 2.679 20 30 EFEDRM C#CCOCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833364305 605711815 /nfs/dbraw/zinc/71/18/15/605711815.db2.gz OAEXJJMOQSIRCG-CYBMUJFWSA-N -1 0 331.151 2.702 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3cc(O)ccc3c2)o1 ZINC000819781581 606370361 /nfs/dbraw/zinc/37/03/61/606370361.db2.gz ACYYYTRNRFPEII-UHFFFAOYSA-N -1 0 349.354 2.858 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001771710332 1249640574 /nfs/dbraw/zinc/64/05/74/1249640574.db2.gz YSCYOEHHQAZOBI-UHFFFAOYSA-N -1 0 345.302 2.715 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)CCCCC1 ZINC000850738692 1250587201 /nfs/dbraw/zinc/58/72/01/1250587201.db2.gz AMOCFHKTWHLZAU-UHFFFAOYSA-N -1 0 346.452 2.844 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000850738681 1250587241 /nfs/dbraw/zinc/58/72/41/1250587241.db2.gz AFVSDEVKIPEUQE-HUUCEWRRSA-N -1 0 332.425 2.580 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000850806396 1250627295 /nfs/dbraw/zinc/62/72/95/1250627295.db2.gz VDXSFGLHSXFZSS-HOTGVXAUSA-N -1 0 346.452 2.721 20 30 EFEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000850913875 1250685658 /nfs/dbraw/zinc/68/56/58/1250685658.db2.gz BEVISEZRQZCTRN-GJZGRUSLSA-N -1 0 333.494 2.856 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)CC2=CCCCC2)c1 ZINC000851192620 1250851441 /nfs/dbraw/zinc/85/14/41/1250851441.db2.gz ORCLGTIXRHHSKY-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM CCCCCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192499 1250851500 /nfs/dbraw/zinc/85/15/00/1250851500.db2.gz KCBKWXFYQXWPJT-UHFFFAOYSA-N -1 0 326.393 2.614 20 30 EFEDRM CN1C(=O)CCc2cc(/C=C\c3nc(C(=O)[O-])ccc3C#N)ccc21 ZINC000588509213 1251535392 /nfs/dbraw/zinc/53/53/92/1251535392.db2.gz CRFYHSJXWFKAMK-KXFIGUGUSA-N -1 0 333.347 2.731 20 30 EFEDRM CCN(CCC#N)c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001166593095 1263555316 /nfs/dbraw/zinc/55/53/16/1263555316.db2.gz IBZSTTDYQLUSSN-UHFFFAOYSA-N -1 0 348.403 2.761 20 30 EFEDRM Cc1cc(COc2ccc(C=NN3CCOCC3)cc2)oc1C(=O)[O-] ZINC000729931654 1264115141 /nfs/dbraw/zinc/11/51/41/1264115141.db2.gz QGIVKWAOTXGETA-UHFFFAOYSA-N -1 0 344.367 2.531 20 30 EFEDRM C[C@H](Oc1cccc(C=NNc2ccnc3ccccc32)c1)C(=O)[O-] ZINC000730147139 1264214774 /nfs/dbraw/zinc/21/47/74/1264214774.db2.gz KISMHEUXAKYSBB-ZDUSSCGKSA-N -1 0 335.363 2.955 20 30 EFEDRM Cc1cc(N=NCc2ccc(OC(F)(F)C(=O)[O-])cc2)nc(C)n1 ZINC000730728180 1264428494 /nfs/dbraw/zinc/42/84/94/1264428494.db2.gz LZMDUVIYFJWNGO-UHFFFAOYSA-N -1 0 336.298 2.596 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3[nH]ccc3c2)n1 ZINC000730854943 1264459986 /nfs/dbraw/zinc/45/99/86/1264459986.db2.gz ZXEQMJCVAJTUCG-CYBMUJFWSA-N -1 0 339.376 2.966 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1OC(F)(F)F ZINC000730946277 1264490591 /nfs/dbraw/zinc/49/05/91/1264490591.db2.gz NZBHKIBQANXKQX-UHFFFAOYSA-N -1 0 327.266 2.620 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000730995820 1264508374 /nfs/dbraw/zinc/50/83/74/1264508374.db2.gz KLQPXOHXBIQMNR-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733201497 1265110404 /nfs/dbraw/zinc/11/04/04/1265110404.db2.gz LDRAAFFNOQGUBJ-SWLSCSKDSA-N -1 0 349.456 2.527 20 30 EFEDRM CO[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733204893 1265110571 /nfs/dbraw/zinc/11/05/71/1265110571.db2.gz CUCBPQMHHYZWEV-UULPOSSESA-N -1 0 326.658 2.950 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733203550 1265110974 /nfs/dbraw/zinc/11/09/74/1265110974.db2.gz PJQNXLBWRRJGEK-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1 ZINC000733205434 1265111978 /nfs/dbraw/zinc/11/19/78/1265111978.db2.gz VKBKAZJUHBDHEM-GQCTYLIASA-N -1 0 326.304 2.775 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000733205422 1265112076 /nfs/dbraw/zinc/11/20/76/1265112076.db2.gz VCEHYWGRMQUYJB-WTKPLQERSA-N -1 0 327.292 2.954 20 30 EFEDRM C[C@H](Oc1cccc(C=NNc2cnnc3ccccc32)c1)C(=O)[O-] ZINC000733749952 1265401796 /nfs/dbraw/zinc/40/17/96/1265401796.db2.gz GPRAUYWLMPFYGX-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM N#Cc1sccc1N1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC000824806672 1278291843 /nfs/dbraw/zinc/29/18/43/1278291843.db2.gz DREVOHYFSBNHQL-UHFFFAOYSA-N -1 0 349.362 2.566 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CC2)cc1OC ZINC000791771193 1278318860 /nfs/dbraw/zinc/31/88/60/1278318860.db2.gz HSJQWUXMOGIETO-INIZCTEOSA-N -1 0 344.411 2.865 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC000073837844 1267533253 /nfs/dbraw/zinc/53/32/53/1267533253.db2.gz OGWBHZRWKPZCAC-QWHCGFSZSA-N -1 0 346.493 2.746 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2F)c1 ZINC000073837981 1267534227 /nfs/dbraw/zinc/53/42/27/1267534227.db2.gz QRQJXNYMKRMOBO-UHFFFAOYSA-N -1 0 339.392 2.834 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000736424151 1267609525 /nfs/dbraw/zinc/60/95/25/1267609525.db2.gz PYYSABVHVUEOGE-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cn(C)c3ccccc23)CCC1 ZINC000791853950 1278380202 /nfs/dbraw/zinc/38/02/02/1278380202.db2.gz XRGKVCDVEBXKII-UHFFFAOYSA-N -1 0 332.425 2.730 20 30 EFEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC)cc1OC ZINC000133393841 1268539506 /nfs/dbraw/zinc/53/95/06/1268539506.db2.gz FVGFZFXBTFTVDH-AWEZNQCLSA-N -1 0 332.400 2.723 20 30 EFEDRM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000739669999 1268731839 /nfs/dbraw/zinc/73/18/39/1268731839.db2.gz BWIURQSMIJJTII-UHFFFAOYSA-N -1 0 349.343 2.676 20 30 EFEDRM C#CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000700581556 1269311259 /nfs/dbraw/zinc/31/12/59/1269311259.db2.gz LRHKIVDABYVKRM-QMMMGPOBSA-N -1 0 332.581 2.551 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791955940 1278486197 /nfs/dbraw/zinc/48/61/97/1278486197.db2.gz ZNQRWXXLYMMYBL-UHFFFAOYSA-N -1 0 330.409 2.623 20 30 EFEDRM CC(C)c1nc(C#N)c([N-]N=C2CCN(Cc3ccccc3)C2=O)o1 ZINC000743437805 1270588989 /nfs/dbraw/zinc/58/89/89/1270588989.db2.gz XARLTGAYEIRFON-UHFFFAOYSA-N -1 0 337.383 2.870 20 30 EFEDRM N#Cc1ccnc(N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)c1 ZINC000792156460 1278593821 /nfs/dbraw/zinc/59/38/21/1278593821.db2.gz GWBYGGROPOSERK-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000737527551 1271023492 /nfs/dbraw/zinc/02/34/92/1271023492.db2.gz XXXVHSSLXASHHS-SECBINFHSA-N -1 0 332.183 2.860 20 30 EFEDRM C=CCOCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000737532280 1271029743 /nfs/dbraw/zinc/02/97/43/1271029743.db2.gz BPLAQPAWPGIGME-KRWDZBQOSA-N -1 0 331.412 2.686 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2Cl)n1 ZINC000744951016 1271248901 /nfs/dbraw/zinc/24/89/01/1271248901.db2.gz BEMIXFJNRVNZLY-ZCFIWIBFSA-N -1 0 341.801 2.920 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2scnc2Cl)c1 ZINC000744936943 1271252672 /nfs/dbraw/zinc/25/26/72/1271252672.db2.gz YWRUDKJCYARPGB-SNVBAGLBSA-N -1 0 335.772 2.766 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000745291796 1271423346 /nfs/dbraw/zinc/42/33/46/1271423346.db2.gz UGUTZWNEEYUEIL-UHFFFAOYSA-N -1 0 343.445 2.869 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3cc[nH]c32)n1 ZINC000745544254 1271509296 /nfs/dbraw/zinc/50/92/96/1271509296.db2.gz URATUMZFJWBHFR-CYBMUJFWSA-N -1 0 339.376 2.966 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1oc(C(C)C)nc1C#N)O2 ZINC000745611664 1271540431 /nfs/dbraw/zinc/54/04/31/1271540431.db2.gz BTTBYBOQBMTYDF-UHFFFAOYSA-N -1 0 326.312 2.684 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000746419188 1272210150 /nfs/dbraw/zinc/21/01/50/1272210150.db2.gz SNYSTKGNTXHQSQ-UHFFFAOYSA-N -1 0 338.388 2.605 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2nc(Br)ccc2F)c1 ZINC000792277242 1278709761 /nfs/dbraw/zinc/70/97/61/1278709761.db2.gz OTXCESRYVKXELY-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM C=CC[C@@H](Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1)C(=O)OC ZINC001169845204 1273192889 /nfs/dbraw/zinc/19/28/89/1273192889.db2.gz NLHDJFYSOLMNRT-GXFFZTMASA-N -1 0 344.333 2.956 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1 ZINC000792562270 1278900631 /nfs/dbraw/zinc/90/06/31/1278900631.db2.gz JMXGRRYNXXYXKS-OAHLLOKOSA-N -1 0 348.509 2.757 20 30 EFEDRM CCc1ccccc1CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000785831338 1275201357 /nfs/dbraw/zinc/20/13/57/1275201357.db2.gz OKVSDCWCVQQDMK-OAHLLOKOSA-N -1 0 342.420 2.976 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccccn3c2)n1 ZINC000785996393 1275268770 /nfs/dbraw/zinc/26/87/70/1275268770.db2.gz HNZWTSXTLVIAGS-AWEZNQCLSA-N -1 0 339.376 2.738 20 30 EFEDRM CC(=NNC1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000746578398 1275366918 /nfs/dbraw/zinc/36/69/18/1275366918.db2.gz MPZXSFKAFIUKHH-UHFFFAOYSA-N -1 0 331.185 2.786 20 30 EFEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)s1 ZINC000786473856 1275403909 /nfs/dbraw/zinc/40/39/09/1275403909.db2.gz IVDXSGKCJMQYFX-UHFFFAOYSA-N -1 0 328.459 2.790 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1c[nH]c2ccccc21 ZINC000786481650 1275405326 /nfs/dbraw/zinc/40/53/26/1275405326.db2.gz XVFTUWJWSWBZOY-LBPRGKRZSA-N -1 0 347.440 2.657 20 30 EFEDRM Cc1cncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786531023 1275421358 /nfs/dbraw/zinc/42/13/58/1275421358.db2.gz MPSAOCNJSUNPLF-HNNXBMFYSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)nc1 ZINC000786537455 1275423201 /nfs/dbraw/zinc/42/32/01/1275423201.db2.gz RSDMIMPMJREKOT-CQSZACIVSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1ccn2cc(C([O-])=C(C#N)C(=O)NCc3cccc(C)c3)nc2c1 ZINC000786537913 1275423808 /nfs/dbraw/zinc/42/38/08/1275423808.db2.gz BXPGYPGIMRKPPE-INIZCTEOSA-N -1 0 346.390 2.590 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786538621 1275424331 /nfs/dbraw/zinc/42/43/31/1275424331.db2.gz GOAYGEVVFHDHJT-CYBMUJFWSA-N -1 0 327.409 2.653 20 30 EFEDRM COCc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786540141 1275424429 /nfs/dbraw/zinc/42/44/29/1275424429.db2.gz HBCILXBCBHIVKE-GOSISDBHSA-N -1 0 336.391 2.780 20 30 EFEDRM Cc1cccnc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547012 1275437875 /nfs/dbraw/zinc/43/78/75/1275437875.db2.gz NVYRLJUAJQSXPU-AWEZNQCLSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(Cl)cn2C)c1 ZINC000786549982 1275439496 /nfs/dbraw/zinc/43/94/96/1275439496.db2.gz LSBQSGFMFAYXHD-CQSZACIVSA-N -1 0 329.787 2.626 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(F)cc1 ZINC000786557195 1275441250 /nfs/dbraw/zinc/44/12/50/1275441250.db2.gz HAFJMIUZBOTCFO-AWEZNQCLSA-N -1 0 332.281 2.743 20 30 EFEDRM Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786557210 1275441856 /nfs/dbraw/zinc/44/18/56/1275441856.db2.gz HHIJDNZBPFGLJZ-OAHLLOKOSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)oc1C ZINC000786570882 1275447113 /nfs/dbraw/zinc/44/71/13/1275447113.db2.gz QCVUXNVOLUEKHR-LBPRGKRZSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(C)o1 ZINC000786571605 1275447828 /nfs/dbraw/zinc/44/78/28/1275447828.db2.gz RNZCYGAXWOOEBS-ZDUSSCGKSA-N -1 0 332.306 2.814 20 30 EFEDRM CC(C)n1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000786977687 1275609155 /nfs/dbraw/zinc/60/91/55/1275609155.db2.gz CLJQUHGACJGASG-HNNXBMFYSA-N -1 0 344.802 2.756 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cncc(F)c1)c1ccccc1 ZINC000787041322 1275624430 /nfs/dbraw/zinc/62/44/30/1275624430.db2.gz OQRNXTQGLDYKRT-HOTGVXAUSA-N -1 0 325.343 2.811 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000787048107 1275629239 /nfs/dbraw/zinc/62/92/39/1275629239.db2.gz ZOWIWELYJSZKQI-KBPBESRZSA-N -1 0 325.368 2.827 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787155316 1275689795 /nfs/dbraw/zinc/68/97/95/1275689795.db2.gz PWUCVNWWDFPARH-YPMHNXCESA-N -1 0 345.399 2.848 20 30 EFEDRM C=CCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC000787361500 1275759246 /nfs/dbraw/zinc/75/92/46/1275759246.db2.gz RWTYUEPKUQSSBC-UHFFFAOYSA-N -1 0 329.425 2.519 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNC(=S)Nc2ccccc2)c1)C(=O)[O-] ZINC000746679140 1275767113 /nfs/dbraw/zinc/76/71/13/1275767113.db2.gz MAJCMFYOSIPSFT-GFCCVEGCSA-N -1 0 343.408 2.859 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)ccc1OCC(=O)[O-] ZINC000746686771 1275789632 /nfs/dbraw/zinc/78/96/32/1275789632.db2.gz LGJXSVHVSQFRAA-XQRVVYSFSA-N -1 0 344.367 2.832 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000788139627 1276053660 /nfs/dbraw/zinc/05/36/60/1276053660.db2.gz MZXCJBRMDUAMHS-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000788204960 1276089705 /nfs/dbraw/zinc/08/97/05/1276089705.db2.gz FCMBGGCMKITASG-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM C#CCn1cc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000788217282 1276098337 /nfs/dbraw/zinc/09/83/37/1276098337.db2.gz JJQPFURFIGZAIJ-UHFFFAOYSA-N -1 0 339.782 2.959 20 30 EFEDRM Cc1cc(COc2ccc(C=NN[C@@H]3CCOC3)cc2)oc1C(=O)[O-] ZINC000788440666 1276165274 /nfs/dbraw/zinc/16/52/74/1276165274.db2.gz WFCDNKVCJQWNEY-CQSZACIVSA-N -1 0 344.367 2.578 20 30 EFEDRM O=C([O-])c1ccccc1COc1cccc(C=NN[C@@H]2CCOC2)c1 ZINC000788456516 1276179960 /nfs/dbraw/zinc/17/99/60/1276179960.db2.gz MIMCXIZRPJLFIT-MRXNPFEDSA-N -1 0 340.379 2.676 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NN[C@@H](CO)c1ccccc1)CCC2 ZINC000788462627 1276182301 /nfs/dbraw/zinc/18/23/01/1276182301.db2.gz YOKBTWCSZYOTFG-AWEZNQCLSA-N -1 0 328.368 2.650 20 30 EFEDRM O=C([O-])c1cc(NN=Cc2ccc3c(c2)NC(=O)CO3)ccc1Cl ZINC000788699443 1276267209 /nfs/dbraw/zinc/26/72/09/1276267209.db2.gz WDIRGNDCJXELKR-UHFFFAOYSA-N -1 0 345.742 2.815 20 30 EFEDRM Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc(Cl)n1 ZINC000788710098 1276272295 /nfs/dbraw/zinc/27/22/95/1276272295.db2.gz ZIFIZTBGBFDADC-UHFFFAOYSA-N -1 0 330.800 2.924 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(OCc2ccncc2)cc1 ZINC000817711775 1276289089 /nfs/dbraw/zinc/28/90/89/1276289089.db2.gz FBGSADQBOXVCNF-QGZVFWFLSA-N -1 0 337.379 2.508 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000817712562 1276289136 /nfs/dbraw/zinc/28/91/36/1276289136.db2.gz MCDIZKWIZCZOPT-AWEZNQCLSA-N -1 0 329.356 2.593 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000817714127 1276289979 /nfs/dbraw/zinc/28/99/79/1276289979.db2.gz KOSYKDYVBJQZJI-OAHLLOKOSA-N -1 0 343.383 2.983 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788752634 1276290882 /nfs/dbraw/zinc/29/08/82/1276290882.db2.gz DPKCBEOOEGBCGU-UHFFFAOYSA-N -1 0 341.388 2.874 20 30 EFEDRM COc1ccc2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)sc2c1 ZINC000788733578 1276298890 /nfs/dbraw/zinc/29/88/90/1276298890.db2.gz UHZIICYBZPEYEM-SQRWCISFSA-N -1 0 343.360 2.533 20 30 EFEDRM COc1ccc2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)sc2c1 ZINC000788733572 1276299214 /nfs/dbraw/zinc/29/92/14/1276299214.db2.gz UHZIICYBZPEYEM-OGZRUICASA-N -1 0 343.360 2.533 20 30 EFEDRM COc1ccc2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)sc2c1 ZINC000788733567 1276299436 /nfs/dbraw/zinc/29/94/36/1276299436.db2.gz UHZIICYBZPEYEM-KJPDOMRESA-N -1 0 343.360 2.533 20 30 EFEDRM COc1ccc2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)sc2c1 ZINC000788733556 1276299504 /nfs/dbraw/zinc/29/95/04/1276299504.db2.gz UHZIICYBZPEYEM-JFDDCEBESA-N -1 0 343.360 2.533 20 30 EFEDRM CCCCCCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000817877292 1276356289 /nfs/dbraw/zinc/35/62/89/1276356289.db2.gz JDXZFVKXGSKING-UHFFFAOYSA-N -1 0 338.379 2.939 20 30 EFEDRM Cc1nnc([S-])n(N=C[C@H](C)c2ccc(C(F)(F)F)cc2)c1=O ZINC000788953396 1276407198 /nfs/dbraw/zinc/40/71/98/1276407198.db2.gz BCBAFDMOESJLPI-QMMMGPOBSA-N -1 0 342.346 2.892 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccco3)s2)C(=O)O1 ZINC000789126161 1276521289 /nfs/dbraw/zinc/52/12/89/1276521289.db2.gz CRSSDOCWXSZCST-ZRUQZJFASA-N -1 0 329.333 2.631 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCOc3ccc(F)cc32)cc1C#N ZINC001411295819 1276633001 /nfs/dbraw/zinc/63/30/01/1276633001.db2.gz AOVVVEOZQHWJCS-UHFFFAOYSA-N -1 0 345.355 2.559 20 30 EFEDRM O=C([N-][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(F)(F)C(F)F ZINC000923044604 1276641913 /nfs/dbraw/zinc/64/19/13/1276641913.db2.gz NNEXEHZBBVDBEY-IUCAKERBSA-N -1 0 347.230 2.538 20 30 EFEDRM CCOc1ccc(C[C@@H](CNC(=O)C(C#N)(CC)CC)C(=O)[O-])cc1 ZINC000923062001 1276681599 /nfs/dbraw/zinc/68/15/99/1276681599.db2.gz KPOASPARQNFJGT-HNNXBMFYSA-N -1 0 346.427 2.775 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000923063165 1276707256 /nfs/dbraw/zinc/70/72/56/1276707256.db2.gz WLNMEAFXQYSLNC-GOSISDBHSA-N -1 0 325.368 2.691 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC12CCCC2 ZINC000923078508 1276761778 /nfs/dbraw/zinc/76/17/78/1276761778.db2.gz DKZUMILWOZWIPW-KSSFIOAISA-N -1 0 330.359 2.584 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 ZINC000819801079 1276924779 /nfs/dbraw/zinc/92/47/79/1276924779.db2.gz LZVBHTMNPNHNMJ-JTQLQIEISA-N -1 0 335.408 2.582 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)oc1C ZINC000819942305 1276962087 /nfs/dbraw/zinc/96/20/87/1276962087.db2.gz YTVSXSKMELASBE-NSHDSACASA-N -1 0 341.205 2.979 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1coc2c1cccc2C ZINC000819945975 1276964291 /nfs/dbraw/zinc/96/42/91/1276964291.db2.gz YCCCMLDGCGCXQK-CQSZACIVSA-N -1 0 328.368 2.607 20 30 EFEDRM CC[C@@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000820509044 1277199831 /nfs/dbraw/zinc/19/98/31/1277199831.db2.gz FIZSMIRTXQHILA-AWEZNQCLSA-N -1 0 336.457 2.560 20 30 EFEDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000820627871 1277254195 /nfs/dbraw/zinc/25/41/95/1277254195.db2.gz USLKPMDUASXSGJ-ZIAGYGMSSA-N -1 0 326.462 2.733 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000820627869 1277254231 /nfs/dbraw/zinc/25/42/31/1277254231.db2.gz USLKPMDUASXSGJ-KGLIPLIRSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3cccc(F)c3F)o2)c1=O ZINC000790147645 1277288548 /nfs/dbraw/zinc/28/85/48/1277288548.db2.gz JQCDDNJADMZORG-UHFFFAOYSA-N -1 0 348.334 2.656 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2scc(C(C)(C)C)c2C#N)cn1 ZINC000820801024 1277333104 /nfs/dbraw/zinc/33/31/04/1277333104.db2.gz SDYSEXZZIJAITL-UHFFFAOYSA-N -1 0 338.458 2.934 20 30 EFEDRM CC(C)CN1c2ccccc2C(=N[N-]c2nc3ccccn3n2)C1=O ZINC000790196323 1277342886 /nfs/dbraw/zinc/34/28/86/1277342886.db2.gz BTPPOUBRBFQNSC-UHFFFAOYSA-N -1 0 334.383 2.548 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)c(C)cc1C ZINC000820948157 1277372667 /nfs/dbraw/zinc/37/26/67/1277372667.db2.gz ZWOZLXFXXZZPNO-UHFFFAOYSA-N -1 0 337.441 2.913 20 30 EFEDRM C=CCOCCCC(=O)N=c1nc(-c2cccnc2Cl)[n-]s1 ZINC000585130047 1277472251 /nfs/dbraw/zinc/47/22/51/1277472251.db2.gz GKJBVHVKRPFKBW-UHFFFAOYSA-N -1 0 338.820 2.597 20 30 EFEDRM Cc1nn(C)c(/C=C/C(=O)c2ccc(O)cc2[O-])c1Br ZINC000790599999 1277670671 /nfs/dbraw/zinc/67/06/71/1277670671.db2.gz HAYHIOGZECFUNT-AATRIKPKSA-N -1 0 337.173 2.798 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1Cl ZINC000790642788 1277715206 /nfs/dbraw/zinc/71/52/06/1277715206.db2.gz AGYITSQMRSMKPZ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000791110953 1277950790 /nfs/dbraw/zinc/95/07/90/1277950790.db2.gz IDGAJVIGIMBYTL-UHFFFAOYSA-N -1 0 337.784 2.683 20 30 EFEDRM N#CC1(c2ccccc2)CCC(n2[n-]c3ccnc(=O)c-3c2N)CC1 ZINC001170373526 1279074745 /nfs/dbraw/zinc/07/47/45/1279074745.db2.gz HCMIIDDPJRBLBS-UHFFFAOYSA-N -1 0 333.395 2.835 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n[nH]c1C1CC1 ZINC000792662623 1279081100 /nfs/dbraw/zinc/08/11/00/1279081100.db2.gz WLDFWJJBSYEDPI-UHFFFAOYSA-N -1 0 340.408 2.888 20 30 EFEDRM COC(=O)CCC[NH+]1CCC(N=Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000844623908 1279128668 /nfs/dbraw/zinc/12/86/68/1279128668.db2.gz NVKWZAVWYQWAFS-UHFFFAOYSA-N -1 0 347.415 2.510 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000792925590 1279280153 /nfs/dbraw/zinc/28/01/53/1279280153.db2.gz SQTRAFTZNAIMAS-WMZJFQQLSA-N -1 0 340.335 2.898 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000792926144 1279280623 /nfs/dbraw/zinc/28/06/23/1279280623.db2.gz VQNCWVKANCEWMN-OQFOIZHKSA-N -1 0 339.347 2.688 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=CCc1ccc([N+](=O)[O-])cc1 ZINC000792960593 1279306071 /nfs/dbraw/zinc/30/60/71/1279306071.db2.gz VWINYHINMISYIN-UHFFFAOYSA-N -1 0 340.364 2.670 20 30 EFEDRM Fc1ccc(C(C[C@@H]2CCOC2)=NNc2[n-]cnc3ncnc2-3)cc1 ZINC000792988516 1279317578 /nfs/dbraw/zinc/31/75/78/1279317578.db2.gz XBXFHHMCMHRPJU-NSHDSACASA-N -1 0 340.362 2.735 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC[C@]1(C)CCCS1)[n-]c2=O ZINC000793012269 1279327003 /nfs/dbraw/zinc/32/70/03/1279327003.db2.gz HSUAGKXIOLBNCY-HNNXBMFYSA-N -1 0 334.449 2.970 20 30 EFEDRM CCCOc1c(Cl)cc(C=NN[C@H](CC)C(=O)[O-])cc1OC ZINC000793055321 1279345440 /nfs/dbraw/zinc/34/54/40/1279345440.db2.gz LOJGSLDTWBLQOI-GFCCVEGCSA-N -1 0 328.796 2.924 20 30 EFEDRM CC[C@H](NN=Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000793073103 1279357231 /nfs/dbraw/zinc/35/72/31/1279357231.db2.gz YHZYGBBGLGPPNT-ZDUSSCGKSA-N -1 0 340.305 2.678 20 30 EFEDRM CC[C@H](NN=C1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)[O-] ZINC000793072864 1279357278 /nfs/dbraw/zinc/35/72/78/1279357278.db2.gz QOFXNNPTLMQMKJ-HNNXBMFYSA-N -1 0 341.814 2.884 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000793072114 1279357352 /nfs/dbraw/zinc/35/73/52/1279357352.db2.gz PSOZIRIEQMAEDW-GFCCVEGCSA-N -1 0 340.305 2.678 20 30 EFEDRM CC[C@@H](NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000793072753 1279357723 /nfs/dbraw/zinc/35/77/23/1279357723.db2.gz WCNFMHVONYSMDA-QGZVFWFLSA-N -1 0 329.400 2.889 20 30 EFEDRM CC[C@@H](NN=Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000793077228 1279358675 /nfs/dbraw/zinc/35/86/75/1279358675.db2.gz CDVBOSIUPVGIED-GOSISDBHSA-N -1 0 337.379 2.924 20 30 EFEDRM CC[C@@H](NN=C1CCCOc2c(Br)cccc21)C(=O)[O-] ZINC000793081940 1279361078 /nfs/dbraw/zinc/36/10/78/1279361078.db2.gz QAUFZASUNAJJNA-LLVKDONJSA-N -1 0 341.205 2.779 20 30 EFEDRM CC[C@H](NN=C([C@@H](C)OCc1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000793058603 1279367911 /nfs/dbraw/zinc/36/79/11/1279367911.db2.gz WKFGWWCPUINUAA-PWSUYJOCSA-N -1 0 332.322 2.963 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000793127831 1279371462 /nfs/dbraw/zinc/37/14/62/1279371462.db2.gz YUBHPPYPGGNLAX-NSHDSACASA-N -1 0 349.799 2.904 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1OCCCO1 ZINC000793119109 1279388563 /nfs/dbraw/zinc/38/85/63/1279388563.db2.gz FUVNTFPFKVAYHG-CYBMUJFWSA-N -1 0 326.352 2.521 20 30 EFEDRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000793201267 1279414185 /nfs/dbraw/zinc/41/41/85/1279414185.db2.gz KCSCAVSJGGSORR-UHFFFAOYSA-N -1 0 340.489 2.979 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)oc2c1c(C)ccc2C ZINC000793201579 1279414638 /nfs/dbraw/zinc/41/46/38/1279414638.db2.gz NFRIRRYFZMWADJ-UHFFFAOYSA-N -1 0 346.408 2.721 20 30 EFEDRM CC(C)Cc1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793201779 1279414719 /nfs/dbraw/zinc/41/47/19/1279414719.db2.gz QXZSGEZWXNTCEF-UHFFFAOYSA-N -1 0 348.468 2.567 20 30 EFEDRM CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000793193674 1279436762 /nfs/dbraw/zinc/43/67/62/1279436762.db2.gz AYUNLRBBJLOYBF-OAHLLOKOSA-N -1 0 334.441 2.566 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194376 1279438369 /nfs/dbraw/zinc/43/83/69/1279438369.db2.gz IYIZWUMQIVBGKH-ZIAGYGMSSA-N -1 0 346.452 2.726 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216492 1287357849 /nfs/dbraw/zinc/35/78/49/1287357849.db2.gz AJKHMXZEYGOADN-UHFFFAOYSA-N -1 0 330.319 2.687 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845441557 1279632111 /nfs/dbraw/zinc/63/21/11/1279632111.db2.gz ZLKBWQNYFYCAAX-CYBMUJFWSA-N -1 0 348.786 2.951 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc2c1OCCCO2 ZINC000845440735 1279632256 /nfs/dbraw/zinc/63/22/56/1279632256.db2.gz LQEPMIKXPNFPMW-HNNXBMFYSA-N -1 0 342.395 2.619 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)cn1 ZINC000845444506 1279635112 /nfs/dbraw/zinc/63/51/12/1279635112.db2.gz WYNJFMYBNIXEHD-INIZCTEOSA-N -1 0 338.411 2.891 20 30 EFEDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793428252 1279640730 /nfs/dbraw/zinc/64/07/30/1279640730.db2.gz JRFONSIUOCYLGY-UHFFFAOYSA-N -1 0 336.344 2.602 20 30 EFEDRM Cc1cc(OCc2ccccc2)ccc1NC(=N[O-])c1nonc1N ZINC001175226815 1287363237 /nfs/dbraw/zinc/36/32/37/1287363237.db2.gz MCQRLUZQXCRTNT-UHFFFAOYSA-N -1 0 339.355 2.787 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C#N ZINC000871967151 1287379325 /nfs/dbraw/zinc/37/93/25/1287379325.db2.gz CUEMADYVJRDDFT-UHFFFAOYSA-N -1 0 344.820 2.517 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000846148731 1280037292 /nfs/dbraw/zinc/03/72/92/1280037292.db2.gz BLGGNMHRZHZHSG-UHFFFAOYSA-N -1 0 345.424 2.738 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000846152276 1280038220 /nfs/dbraw/zinc/03/82/20/1280038220.db2.gz ABEJFMNMJIKHPT-LBPRGKRZSA-N -1 0 347.415 2.540 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000846152721 1280038439 /nfs/dbraw/zinc/03/84/39/1280038439.db2.gz CEFXNFYONZNOSM-CYBMUJFWSA-N -1 0 331.416 2.626 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000846152929 1280038458 /nfs/dbraw/zinc/03/84/58/1280038458.db2.gz VRSIAPNITAIACP-GFCCVEGCSA-N -1 0 346.383 2.679 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000846150387 1280038503 /nfs/dbraw/zinc/03/85/03/1280038503.db2.gz FICRJSFHLIPSPM-UHFFFAOYSA-N -1 0 348.399 2.579 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000846155802 1280040660 /nfs/dbraw/zinc/04/06/60/1280040660.db2.gz WUMCKVLTRCNQIZ-NWDGAFQWSA-N -1 0 333.413 2.642 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000846146489 1280053299 /nfs/dbraw/zinc/05/32/99/1280053299.db2.gz IYKQQVJMCDWQEC-LLVKDONJSA-N -1 0 337.445 2.611 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000846147873 1280053441 /nfs/dbraw/zinc/05/34/41/1280053441.db2.gz WIKBGASYQAUSPS-SNVBAGLBSA-N -1 0 346.305 2.579 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000846147545 1280053547 /nfs/dbraw/zinc/05/35/47/1280053547.db2.gz XZJANGKGPJOWAM-UHFFFAOYSA-N -1 0 330.306 2.744 20 30 EFEDRM CC[C@@H](C#N)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000846246002 1280084241 /nfs/dbraw/zinc/08/42/41/1280084241.db2.gz IDSUWBKMKNGPDB-NSHDSACASA-N -1 0 327.306 2.662 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1N1CCCC1 ZINC000872011295 1287397971 /nfs/dbraw/zinc/39/79/71/1287397971.db2.gz GFVXJIHJSUVJJA-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234231 1280112446 /nfs/dbraw/zinc/11/24/46/1280112446.db2.gz QOSXPHQEZYCCFE-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(Cl)c2)nc1C#N ZINC001175315190 1287398486 /nfs/dbraw/zinc/39/84/86/1287398486.db2.gz OYIZWIQKYQWUAP-UHFFFAOYSA-N -1 0 334.122 2.969 20 30 EFEDRM C=C(C)CO[N-]C(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000846540682 1280235208 /nfs/dbraw/zinc/23/52/08/1280235208.db2.gz GVJLDDLYHLANGT-UHFFFAOYSA-N -1 0 329.400 2.824 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000846542405 1280235337 /nfs/dbraw/zinc/23/53/37/1280235337.db2.gz AXHXWOQZWUOTGD-CYBMUJFWSA-N -1 0 346.456 2.988 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)c1nn(CCCCC)c(=O)c2ccccc21 ZINC000846541307 1280235411 /nfs/dbraw/zinc/23/54/11/1280235411.db2.gz GGBCARLZJGTVSI-CYBMUJFWSA-N -1 0 329.400 2.823 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000846542707 1280236881 /nfs/dbraw/zinc/23/68/81/1280236881.db2.gz GKZQAIPVYUUFHR-LBPRGKRZSA-N -1 0 333.413 2.595 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000846542706 1280237614 /nfs/dbraw/zinc/23/76/14/1280237614.db2.gz GKZQAIPVYUUFHR-GFCCVEGCSA-N -1 0 333.413 2.595 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846542862 1280237682 /nfs/dbraw/zinc/23/76/82/1280237682.db2.gz IDHOOOPXIJCCDP-JWMYSTGGSA-N -1 0 348.487 2.966 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000846545712 1280240131 /nfs/dbraw/zinc/24/01/31/1280240131.db2.gz IPSOVRMJTCUAMM-CQSZACIVSA-N -1 0 337.441 2.704 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000846547405 1280240384 /nfs/dbraw/zinc/24/03/84/1280240384.db2.gz AABHIQKISXIVAY-GRDNDAEWSA-N -1 0 330.428 2.608 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000846533562 1280251027 /nfs/dbraw/zinc/25/10/27/1280251027.db2.gz KFVXPGBVOIAIFI-GFCCVEGCSA-N -1 0 330.837 2.780 20 30 EFEDRM C=C(C)CO[N-]C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000846537417 1280252083 /nfs/dbraw/zinc/25/20/83/1280252083.db2.gz LRFJCRKEVBRBGU-UHFFFAOYSA-N -1 0 337.441 2.705 20 30 EFEDRM CC(=O)c1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cs1 ZINC000815274774 1287408790 /nfs/dbraw/zinc/40/87/90/1287408790.db2.gz MZYJRNXBAKADCA-NSHDSACASA-N -1 0 348.405 2.749 20 30 EFEDRM O=C1NCc2c1cccc2N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000804598730 1280317979 /nfs/dbraw/zinc/31/79/79/1280317979.db2.gz PSOWPBUQVOUBOH-UHFFFAOYSA-N -1 0 331.715 2.948 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000805056974 1280433634 /nfs/dbraw/zinc/43/36/34/1280433634.db2.gz OBJJAQFODYJRSA-CQSZACIVSA-N -1 0 333.375 2.883 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000805058133 1280435131 /nfs/dbraw/zinc/43/51/31/1280435131.db2.gz MDECHCXWLJGDOS-LBPRGKRZSA-N -1 0 341.301 2.901 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1 ZINC000805851660 1280811156 /nfs/dbraw/zinc/81/11/56/1280811156.db2.gz NADAIRBDLIGXHY-LBPRGKRZSA-N -1 0 329.356 2.552 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc2cc(F)ccc2c1C ZINC000805851389 1280811799 /nfs/dbraw/zinc/81/17/99/1280811799.db2.gz IWYNFRBVRJBLFA-CYBMUJFWSA-N -1 0 348.399 2.824 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1cccnc1 ZINC000805845389 1280848594 /nfs/dbraw/zinc/84/85/94/1280848594.db2.gz UJOYRHAUDCPNPH-INIZCTEOSA-N -1 0 347.374 2.980 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000797162166 1281024286 /nfs/dbraw/zinc/02/42/86/1281024286.db2.gz IDJQWQLANCAJKB-ZETCQYMHSA-N -1 0 327.287 2.706 20 30 EFEDRM Cn1cc(C#N)c(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000806331440 1281042121 /nfs/dbraw/zinc/04/21/21/1281042121.db2.gz MDVKPCQZPKOCHM-UHFFFAOYSA-N -1 0 340.170 2.626 20 30 EFEDRM O=C1NCCCN1c1cc(N=Cc2ccc(O)c(O)c2O)ccc1F ZINC000806549935 1281082242 /nfs/dbraw/zinc/08/22/42/1281082242.db2.gz CLDLSZMXJHGHSD-UHFFFAOYSA-N -1 0 345.330 2.613 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000123985446 1287471382 /nfs/dbraw/zinc/47/13/82/1287471382.db2.gz NLMDIGPFSNYQIF-UHFFFAOYSA-N -1 0 341.436 2.914 20 30 EFEDRM COC(=O)c1occc1/C=C1\C[C@@H](C(=O)[O-])c2ccccc2C1=O ZINC000806561782 1281096083 /nfs/dbraw/zinc/09/60/83/1281096083.db2.gz ZVXDUSVMUXAFTM-BMGYJQCNSA-N -1 0 326.304 2.904 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C)nc2)c(C)c1O ZINC001147168234 1281112054 /nfs/dbraw/zinc/11/20/54/1281112054.db2.gz VIFSXWDKJOTTNV-UHFFFAOYSA-N -1 0 339.351 2.705 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000816017982 1287953829 /nfs/dbraw/zinc/95/38/29/1287953829.db2.gz RHCVWCGYHKFMJY-UHFFFAOYSA-N -1 0 331.384 2.901 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878628 1281339420 /nfs/dbraw/zinc/33/94/20/1281339420.db2.gz MSCVEJMTBDYJKV-UHFFFAOYSA-N -1 0 349.394 2.846 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000747407729 1281360204 /nfs/dbraw/zinc/36/02/04/1281360204.db2.gz UCRNNWARKRHRMS-UHFFFAOYSA-N -1 0 331.184 2.514 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cn1 ZINC000747408009 1281361137 /nfs/dbraw/zinc/36/11/37/1281361137.db2.gz VUODSLADQRIKOT-UHFFFAOYSA-N -1 0 346.412 2.529 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000747407353 1281362525 /nfs/dbraw/zinc/36/25/25/1281362525.db2.gz RHJHPFILDMFRLP-UHFFFAOYSA-N -1 0 331.184 2.514 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000747408384 1281368179 /nfs/dbraw/zinc/36/81/79/1281368179.db2.gz YFIDDQDLJFKNIA-UHFFFAOYSA-N -1 0 331.184 2.514 20 30 EFEDRM COCCOCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000807940075 1281474904 /nfs/dbraw/zinc/47/49/04/1281474904.db2.gz TWFUWTRKHCAKRF-UHFFFAOYSA-N -1 0 328.368 2.994 20 30 EFEDRM N#Cc1cc(N)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC001148801313 1281766947 /nfs/dbraw/zinc/76/69/47/1281766947.db2.gz YELVGPLONUZVIA-UHFFFAOYSA-N -1 0 346.268 2.989 20 30 EFEDRM C=C(C)C(=O)NCCCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811880 1281771077 /nfs/dbraw/zinc/77/10/77/1281771077.db2.gz PXWGINNRZKGMRJ-UHFFFAOYSA-N -1 0 331.199 2.511 20 30 EFEDRM C=C[C@H]1C[C@@]1(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)OCC ZINC001148814807 1281773154 /nfs/dbraw/zinc/77/31/54/1281773154.db2.gz XXBBWYDIKZDHCG-AYVTZFPOSA-N -1 0 344.194 2.937 20 30 EFEDRM C=CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1O)C1CCCCC1 ZINC001148926404 1281825532 /nfs/dbraw/zinc/82/55/32/1281825532.db2.gz MOHVAYUGRSDQBV-UHFFFAOYSA-N -1 0 339.413 2.600 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CCF)c1 ZINC000808978500 1281979646 /nfs/dbraw/zinc/97/96/46/1281979646.db2.gz MZBJJGCRDLAEHS-CQSZACIVSA-N -1 0 338.342 2.848 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1 ZINC000808979298 1281980009 /nfs/dbraw/zinc/98/00/09/1281980009.db2.gz GZOVKFCZNFAEEH-LBPRGKRZSA-N -1 0 339.351 2.912 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCSc1cccc(Cl)c1 ZINC000808997014 1281998100 /nfs/dbraw/zinc/99/81/00/1281998100.db2.gz OXHNFUNYJUNJRE-UHFFFAOYSA-N -1 0 346.861 2.572 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ocnc1C1CC1 ZINC000809003505 1281999175 /nfs/dbraw/zinc/99/91/75/1281999175.db2.gz RKTIFIXUVCUZMC-CYBMUJFWSA-N -1 0 343.770 2.844 20 30 EFEDRM Cc1cc(OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c(C)c(C)c1C#N ZINC000809037529 1282014799 /nfs/dbraw/zinc/01/47/99/1282014799.db2.gz BURZXVQVKHWDHQ-UHFFFAOYSA-N -1 0 342.317 2.846 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccccc2-n2ccnn2)ccc1O ZINC000809156694 1282068521 /nfs/dbraw/zinc/06/85/21/1282068521.db2.gz JGMVECULEHEDJO-FNORWQNLSA-N -1 0 335.319 2.567 20 30 EFEDRM COc1ccc2c(c1OC)O/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809158350 1282070198 /nfs/dbraw/zinc/07/01/98/1282070198.db2.gz XOKCEAITUUBODB-RIYZIHGNSA-N -1 0 342.303 2.724 20 30 EFEDRM COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(OC)c1OC ZINC000748002306 1287557159 /nfs/dbraw/zinc/55/71/59/1287557159.db2.gz INOGGXWOLWAXPN-UHFFFAOYSA-N -1 0 328.324 2.542 20 30 EFEDRM CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O ZINC000748003335 1287568169 /nfs/dbraw/zinc/56/81/69/1287568169.db2.gz MBQYGZWNSQBANS-OAHLLOKOSA-N -1 0 349.390 2.818 20 30 EFEDRM COc1cc(/C=C2/Cc3c(cccc3O)C2=O)ccc1OCC(=O)[O-] ZINC000810249847 1283100870 /nfs/dbraw/zinc/10/08/70/1283100870.db2.gz IFYHDIDTFZCYLS-GHXNOFRVSA-N -1 0 340.331 2.687 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CO2 ZINC000810528430 1283319183 /nfs/dbraw/zinc/31/91/83/1283319183.db2.gz UURVIYPLBZWIST-AWEZNQCLSA-N -1 0 328.412 2.985 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1 ZINC000810528871 1283320776 /nfs/dbraw/zinc/32/07/76/1283320776.db2.gz XRPZWODTMUEWCX-CYBMUJFWSA-N -1 0 330.409 2.685 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1 ZINC000810529052 1283321643 /nfs/dbraw/zinc/32/16/43/1283321643.db2.gz ZMEPZIDWKINHML-KRWDZBQOSA-N -1 0 328.412 2.819 20 30 EFEDRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCCC1 ZINC000810656986 1283436066 /nfs/dbraw/zinc/43/60/66/1283436066.db2.gz QKCXRLSAQNJYKK-UHFFFAOYSA-N -1 0 348.468 2.803 20 30 EFEDRM Cc1nnc(N=NC[C@H](C)c2cccc(Br)c2)[n-]c1=O ZINC000747627472 1283555497 /nfs/dbraw/zinc/55/54/97/1283555497.db2.gz FTQBQOHDQUXGRU-QMMMGPOBSA-N -1 0 336.193 2.850 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000810781705 1283586979 /nfs/dbraw/zinc/58/69/79/1283586979.db2.gz ANRNUIMFFLSEBS-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000810781971 1283587785 /nfs/dbraw/zinc/58/77/85/1283587785.db2.gz DLQFPTGMSXUPRT-UHFFFAOYSA-N -1 0 337.485 2.842 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000810784985 1283587964 /nfs/dbraw/zinc/58/79/64/1283587964.db2.gz UEDPHDLVSUUNRD-NWDGAFQWSA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000810784987 1283588066 /nfs/dbraw/zinc/58/80/66/1283588066.db2.gz UEDPHDLVSUUNRD-RYUDHWBXSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc(-c2ccccc2)cc1OC ZINC000810773478 1283631220 /nfs/dbraw/zinc/63/12/20/1283631220.db2.gz AAVPDCHCJBMEGR-UHFFFAOYSA-N -1 0 349.433 2.507 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC000810773800 1283632957 /nfs/dbraw/zinc/63/29/57/1283632957.db2.gz GIMBUYANZUECBX-MDZDMXLPSA-N -1 0 346.235 2.866 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000810778683 1283633603 /nfs/dbraw/zinc/63/36/03/1283633603.db2.gz JCGDNIWDMZPZMO-UHFFFAOYSA-N -1 0 327.814 2.638 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000810775236 1283633622 /nfs/dbraw/zinc/63/36/22/1283633622.db2.gz XMUQHHXIEKBRMQ-UHFFFAOYSA-N -1 0 344.436 2.520 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000810778424 1283635970 /nfs/dbraw/zinc/63/59/70/1283635970.db2.gz XKGSNEWOQOGUOG-SECBINFHSA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000810778374 1283636654 /nfs/dbraw/zinc/63/66/54/1283636654.db2.gz VJWVZFOWSBIXTD-STQMWFEESA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000810777810 1283638536 /nfs/dbraw/zinc/63/85/36/1283638536.db2.gz QBRCSBUUGGDFMQ-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1SCC ZINC000810779658 1283640049 /nfs/dbraw/zinc/64/00/49/1283640049.db2.gz WPMAYNXWLXDYLJ-UHFFFAOYSA-N -1 0 331.846 2.535 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)n(C(CC)CC)n2)CC1 ZINC000810980095 1283884621 /nfs/dbraw/zinc/88/46/21/1283884621.db2.gz PASMRFQJSNGXST-UHFFFAOYSA-N -1 0 339.461 2.721 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2cn(C)c3ccccc23)CC1 ZINC000810980587 1283885582 /nfs/dbraw/zinc/88/55/82/1283885582.db2.gz CGLYHENZRSDKIU-CYBMUJFWSA-N -1 0 346.452 2.837 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000810981612 1283885959 /nfs/dbraw/zinc/88/59/59/1283885959.db2.gz UEAFAEFXUFHOOY-LPHOPBHVSA-N -1 0 345.464 2.835 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000810981614 1283886140 /nfs/dbraw/zinc/88/61/40/1283886140.db2.gz UEAFAEFXUFHOOY-VQIMIIECSA-N -1 0 345.464 2.835 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(Cc3ccc(F)cc3)CC2)CC1 ZINC000810983563 1283907189 /nfs/dbraw/zinc/90/71/89/1283907189.db2.gz UWJBIOMEHHIHDB-UHFFFAOYSA-N -1 0 337.416 2.703 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000810983703 1283907199 /nfs/dbraw/zinc/90/71/99/1283907199.db2.gz GHHAVBSLKLCKQT-UHFFFAOYSA-N -1 0 333.331 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)CC1 ZINC000810983791 1283907404 /nfs/dbraw/zinc/90/74/04/1283907404.db2.gz ZHWWUKSYBBMSCF-UHFFFAOYSA-N -1 0 333.862 2.889 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(Br)c2)CC1 ZINC000810982185 1283907665 /nfs/dbraw/zinc/90/76/65/1283907665.db2.gz LVSVOXASZTUDGJ-UHFFFAOYSA-N -1 0 344.230 2.617 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2OC)CC1 ZINC000810983244 1283907867 /nfs/dbraw/zinc/90/78/67/1283907867.db2.gz NKASPROXCCGPEV-CYBMUJFWSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(\C)c2cccc(OC)c2)CC1 ZINC000810983241 1283908026 /nfs/dbraw/zinc/90/80/26/1283908026.db2.gz NJBJOMZGLHOZSV-ACCUITESSA-N -1 0 335.425 2.653 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000810984685 1283909736 /nfs/dbraw/zinc/90/97/36/1283909736.db2.gz JUKJKRJVIGPZHC-UONOGXRCSA-N -1 0 329.462 2.527 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000810984605 1283911988 /nfs/dbraw/zinc/91/19/88/1283911988.db2.gz IPNSQAXJCVTGCM-JTQLQIEISA-N -1 0 329.368 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)Oc2ccccc2F)CC1 ZINC000810984141 1283912763 /nfs/dbraw/zinc/91/27/63/1283912763.db2.gz STTFHFSRAZKIQG-ZDUSSCGKSA-N -1 0 341.404 2.538 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(SCC)cc2)CC1 ZINC000810985051 1283913118 /nfs/dbraw/zinc/91/31/18/1283913118.db2.gz VTSADZXHACQJNB-UHFFFAOYSA-N -1 0 339.482 2.896 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000810985471 1283913808 /nfs/dbraw/zinc/91/38/08/1283913808.db2.gz MTWGJKUDFCMTEJ-KBPBESRZSA-N -1 0 339.844 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cn2ccc3ccccc32)CC1 ZINC000810985068 1283913950 /nfs/dbraw/zinc/91/39/50/1283913950.db2.gz WLIANQIMFLIQOE-AWEZNQCLSA-N -1 0 346.452 2.832 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)cc2Cl)CC1 ZINC000810986167 1283914113 /nfs/dbraw/zinc/91/41/13/1283914113.db2.gz PZEIRMUCLSYUCA-UHFFFAOYSA-N -1 0 329.805 2.517 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCCC3=O)CC1 ZINC000810987636 1283915221 /nfs/dbraw/zinc/91/52/21/1283915221.db2.gz SSNLGJOWPKQMJA-UHFFFAOYSA-N -1 0 347.436 2.764 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc3c2CCCC3)CC1 ZINC000810987667 1283915574 /nfs/dbraw/zinc/91/55/74/1283915574.db2.gz UZLQEHJMKBAEGS-UHFFFAOYSA-N -1 0 325.455 2.795 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000810988047 1283916551 /nfs/dbraw/zinc/91/65/51/1283916551.db2.gz IDDZJWXCOQEWAU-WCQYABFASA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000810988123 1283916701 /nfs/dbraw/zinc/91/67/01/1283916701.db2.gz JEYUJHHFFPAYTG-LLVKDONJSA-N -1 0 343.832 2.662 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001176100399 1287704829 /nfs/dbraw/zinc/70/48/29/1287704829.db2.gz UKTSDLHXAFGSHX-UHFFFAOYSA-N -1 0 335.410 2.510 20 30 EFEDRM CC(=CN=Nc1nnc(C)c(=O)[n-]1)Cc1ccccc1OC(F)F ZINC000811632663 1284465423 /nfs/dbraw/zinc/46/54/23/1284465423.db2.gz YFKOINIDFFNTEC-IIUDUHLBSA-N -1 0 335.314 2.988 20 30 EFEDRM COC(=O)c1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cn1C ZINC000811686858 1284488605 /nfs/dbraw/zinc/48/86/05/1284488605.db2.gz BELJJICRQARKHW-IZZDOVSWSA-N -1 0 343.335 2.624 20 30 EFEDRM C[C@@H](Oc1cccc(C=NN[C@@H](C)COc2ccccc2)c1)C(=O)[O-] ZINC000811664477 1284493582 /nfs/dbraw/zinc/49/35/82/1284493582.db2.gz DWVZPEZYKPHBPB-LSDHHAIUSA-N -1 0 342.395 2.930 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1ccccc1OCC(=O)[O-] ZINC000811668755 1284497444 /nfs/dbraw/zinc/49/74/44/1284497444.db2.gz SUBVYVNESWDDFY-CQSZACIVSA-N -1 0 328.368 2.541 20 30 EFEDRM Cc1nc2cc([N-]S(=O)(=O)c3cncc(C#N)c3)ccc2s1 ZINC000811697108 1284545775 /nfs/dbraw/zinc/54/57/75/1284545775.db2.gz YBVWSPLXRCCELM-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1O ZINC000811697895 1284547077 /nfs/dbraw/zinc/54/70/77/1284547077.db2.gz OAXCBIVLVRFNRM-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)c1 ZINC000811822530 1284683564 /nfs/dbraw/zinc/68/35/64/1284683564.db2.gz CGYCBZMVCGGBGJ-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000813500469 1285967952 /nfs/dbraw/zinc/96/79/52/1285967952.db2.gz GIWIMVZZYBKAGP-UHFFFAOYSA-N -1 0 333.706 2.634 20 30 EFEDRM O=C([N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000813625745 1286014246 /nfs/dbraw/zinc/01/42/46/1286014246.db2.gz WWSLMZDJVJISKU-MRVPVSSYSA-N -1 0 333.203 2.755 20 30 EFEDRM CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000813981340 1286231315 /nfs/dbraw/zinc/23/13/15/1286231315.db2.gz MKAGZNYBXCFJHY-LBPRGKRZSA-N -1 0 343.408 2.585 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814021985 1286241951 /nfs/dbraw/zinc/24/19/51/1286241951.db2.gz RTTLZWJKJNUBCH-WBVHZDCISA-N -1 0 339.457 2.813 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814023495 1286245590 /nfs/dbraw/zinc/24/55/90/1286245590.db2.gz YDUYNJNTZIKAFE-HNNXBMFYSA-N -1 0 325.430 2.567 20 30 EFEDRM CCCCCCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1OC ZINC000814233363 1286429071 /nfs/dbraw/zinc/42/90/71/1286429071.db2.gz MMLDASQMZQBDES-UHFFFAOYSA-N -1 0 334.376 2.539 20 30 EFEDRM C=C[C@@H]1C[C@]1(Nc1cc(C)c(C)c(C)c1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170744337 1286538156 /nfs/dbraw/zinc/53/81/56/1286538156.db2.gz VROJWRRZJHIVQI-RDTXWAMCSA-N -1 0 348.468 2.577 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000814681159 1286891657 /nfs/dbraw/zinc/89/16/57/1286891657.db2.gz ZOGFYYNOSDNTEO-UHFFFAOYSA-N -1 0 343.295 2.858 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814715974 1286960648 /nfs/dbraw/zinc/96/06/48/1286960648.db2.gz UELCZHPYPIFOQZ-PWSUYJOCSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000814717171 1286960758 /nfs/dbraw/zinc/96/07/58/1286960758.db2.gz BAVXIWQDJCIUNM-IINYFYTJSA-N -1 0 335.429 2.858 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1csc(C(=O)[O-])c1 ZINC000814714916 1286960986 /nfs/dbraw/zinc/96/09/86/1286960986.db2.gz VGYBLEVUOHCUSY-UHFFFAOYSA-N -1 0 333.438 2.835 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2cccnc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814720467 1286964211 /nfs/dbraw/zinc/96/42/11/1286964211.db2.gz MKGKENALLLMEEK-CMPLNLGQSA-N -1 0 334.445 2.881 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1 ZINC000814721838 1286964853 /nfs/dbraw/zinc/96/48/53/1286964853.db2.gz YGMFNRKSBZPAHX-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM CSCc1cnc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1 ZINC000814723665 1286964926 /nfs/dbraw/zinc/96/49/26/1286964926.db2.gz KTZCAQHZPCLJEF-UHFFFAOYSA-N -1 0 339.393 2.787 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814721243 1286965159 /nfs/dbraw/zinc/96/51/59/1286965159.db2.gz ANGKLXYQHVTRIQ-HZMBPMFUSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814721839 1286965502 /nfs/dbraw/zinc/96/55/02/1286965502.db2.gz YGMFNRKSBZPAHX-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM Nc1nonc1C(=N[O-])Nc1ccc(OCc2ccc(F)cc2)cc1 ZINC001174317476 1286978593 /nfs/dbraw/zinc/97/85/93/1286978593.db2.gz PYEOQOQWSRAITR-UHFFFAOYSA-N -1 0 343.318 2.618 20 30 EFEDRM CCCCCNC(=S)NN=C1CC(C(=O)[O-])(c2ccccc2)C1 ZINC000814763702 1287008630 /nfs/dbraw/zinc/00/86/30/1287008630.db2.gz JNBQFWLJTWMJFJ-UHFFFAOYSA-N -1 0 333.457 2.813 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)NCCc1cccs1 ZINC000814792311 1287021120 /nfs/dbraw/zinc/02/11/20/1287021120.db2.gz FUVGDVHIEXPUAF-WDEREUQCSA-N -1 0 339.486 2.632 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)NCCc1cccs1 ZINC000814792307 1287021582 /nfs/dbraw/zinc/02/15/82/1287021582.db2.gz FUVGDVHIEXPUAF-MNOVXSKESA-N -1 0 339.486 2.632 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1csc(C(=O)[O-])c1 ZINC000814802777 1287032058 /nfs/dbraw/zinc/03/20/58/1287032058.db2.gz VFILHYANESDUFC-UHFFFAOYSA-N -1 0 338.410 2.686 20 30 EFEDRM Cc1nc(C#N)c(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000814813830 1287048899 /nfs/dbraw/zinc/04/88/99/1287048899.db2.gz KAOPCBGTQMGBCK-UHFFFAOYSA-N -1 0 342.355 2.739 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1nc(-c2ccncc2)no1 ZINC000814827329 1287065525 /nfs/dbraw/zinc/06/55/25/1287065525.db2.gz FOZVCSJTBRHXJX-UHFFFAOYSA-N -1 0 349.350 2.982 20 30 EFEDRM C[C@H]1C(N=Nc2ccc(-n3cccn3)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814806843 1287076197 /nfs/dbraw/zinc/07/61/97/1287076197.db2.gz TYBNNEFYUQQXKQ-RYUDHWBXSA-N -1 0 342.403 2.587 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814833394 1287081781 /nfs/dbraw/zinc/08/17/81/1287081781.db2.gz HYGUHYXNASUMJF-JQWIXIFHSA-N -1 0 325.478 2.764 20 30 EFEDRM COc1cc(C(C)=NOCC(F)F)ccc1OCCCC(=O)[O-] ZINC000814903920 1287144758 /nfs/dbraw/zinc/14/47/58/1287144758.db2.gz IAQZGUDQFHIJMW-UHFFFAOYSA-N -1 0 331.315 2.945 20 30 EFEDRM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814908805 1287146716 /nfs/dbraw/zinc/14/67/16/1287146716.db2.gz TYJTUAYMOZUYST-UKRRQHHQSA-N -1 0 334.416 2.810 20 30 EFEDRM CC(=NN[C@@H](CO)c1ccccc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814920050 1287153425 /nfs/dbraw/zinc/15/34/25/1287153425.db2.gz YQQZDNPFBVRSFK-KDOFPFPSSA-N -1 0 342.395 2.586 20 30 EFEDRM C[C@@H]1CC(N=Nc2nnc(-c3ccccn3)s2)CC[C@@H]1C(=O)[O-] ZINC000814911210 1287173209 /nfs/dbraw/zinc/17/32/09/1287173209.db2.gz XBRQYXKXJLVJDF-KOLCDFICSA-N -1 0 331.401 2.889 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc(-n3ccnc3)nn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814915180 1287173565 /nfs/dbraw/zinc/17/35/65/1287173565.db2.gz PYSFXTZPERQJGE-VXGBXAGGSA-N -1 0 342.403 2.587 20 30 EFEDRM COc1cc(C(C)N=Nc2cnn(C)c2)ccc1OCCCC(=O)[O-] ZINC000814914529 1287173711 /nfs/dbraw/zinc/17/37/11/1287173711.db2.gz CMJCJISBBUQBAN-UHFFFAOYSA-N -1 0 346.387 2.508 20 30 EFEDRM Cc1[nH]c(CN=Nc2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000814947143 1287177865 /nfs/dbraw/zinc/17/78/65/1287177865.db2.gz CYRSYZKQMYSVCV-UHFFFAOYSA-N -1 0 327.369 2.986 20 30 EFEDRM Cc1nc2sccn2c1C=N[N-]c1nc(-c2cccnc2)no1 ZINC000814948411 1287179034 /nfs/dbraw/zinc/17/90/34/1287179034.db2.gz MDSKZFPZIHEJFJ-UHFFFAOYSA-N -1 0 325.357 2.595 20 30 EFEDRM Cc1cn2c(C=N[N-]c3nc(-c4cccnc4)no3)c(C)nc2s1 ZINC000814948573 1287179577 /nfs/dbraw/zinc/17/95/77/1287179577.db2.gz UQKVYPFUDBUHFL-UHFFFAOYSA-N -1 0 339.384 2.904 20 30 EFEDRM O=C1Nc2ccc(Cl)cc2C1=N[N-]c1nc(-c2cccnc2)no1 ZINC000814949223 1287181663 /nfs/dbraw/zinc/18/16/63/1287181663.db2.gz CVCVVDDCCXBLFX-UHFFFAOYSA-N -1 0 340.730 2.553 20 30 EFEDRM O=C([O-])CNN=Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000814957337 1287187139 /nfs/dbraw/zinc/18/71/39/1287187139.db2.gz ZRQKAIJSJOIBNT-UHFFFAOYSA-N -1 0 340.408 2.668 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccc(C)c(Br)c1 ZINC000871646110 1287189074 /nfs/dbraw/zinc/18/90/74/1287189074.db2.gz FELUFCZVUVMPAD-UHFFFAOYSA-N -1 0 341.205 2.540 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)C(=O)[N-]OCCC2CC2)c1C#N ZINC000815791449 1287839141 /nfs/dbraw/zinc/83/91/41/1287839141.db2.gz IRQQOGKRJMGISC-UHFFFAOYSA-N -1 0 335.429 2.704 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000815877733 1287864178 /nfs/dbraw/zinc/86/41/78/1287864178.db2.gz DSMZWYUZTKBKSL-GPANFISMSA-N -1 0 344.411 2.957 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1 ZINC000815904928 1287875034 /nfs/dbraw/zinc/87/50/34/1287875034.db2.gz TYSCAPCEZDMGDB-KRWDZBQOSA-N -1 0 340.427 2.643 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815908360 1287878346 /nfs/dbraw/zinc/87/83/46/1287878346.db2.gz ZKOJVKWIVZJVBJ-KRWDZBQOSA-N -1 0 338.407 2.977 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1 ZINC000815909285 1287879080 /nfs/dbraw/zinc/87/90/80/1287879080.db2.gz WKPOZRQMGNVVRQ-GFCCVEGCSA-N -1 0 339.351 2.912 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C(C)=O)c1 ZINC000815909184 1287879639 /nfs/dbraw/zinc/87/96/39/1287879639.db2.gz SZRFCEGSIHLMCF-GFCCVEGCSA-N -1 0 342.376 2.920 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C(F)=C/C2CCCCC2)cc1 ZINC000815895251 1287888101 /nfs/dbraw/zinc/88/81/01/1287888101.db2.gz KBVRGSQLYKUDSV-GDNBJRDFSA-N -1 0 336.388 2.797 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C(F)=C\C2CCCCC2)cc1 ZINC000815895252 1287888250 /nfs/dbraw/zinc/88/82/50/1287888250.db2.gz KBVRGSQLYKUDSV-XNTDXEJSSA-N -1 0 336.388 2.797 20 30 EFEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)nc1 ZINC000815912930 1287905344 /nfs/dbraw/zinc/90/53/44/1287905344.db2.gz DAKQBYAVGGAKGO-AWEZNQCLSA-N -1 0 329.400 2.640 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC3CCC2CC3)CCCCC1 ZINC000816019831 1287955465 /nfs/dbraw/zinc/95/54/65/1287955465.db2.gz YNIFRZADVKLOAN-NRXISQOPSA-N -1 0 338.473 2.733 20 30 EFEDRM CCc1nc(C(C)C)ccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000816026547 1287959132 /nfs/dbraw/zinc/95/91/32/1287959132.db2.gz VRMUYSHKVSRICM-UHFFFAOYSA-N -1 0 349.456 2.521 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2nsc3ccc(C)cc32)CC1 ZINC000816089028 1287978955 /nfs/dbraw/zinc/97/89/55/1287978955.db2.gz FCEKJUAYRWGFDY-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM C#CC[C@@H](CO)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000816671171 1288238437 /nfs/dbraw/zinc/23/84/37/1288238437.db2.gz PVZPVFDCGOIFBA-AWEZNQCLSA-N -1 0 329.783 2.827 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)[O-] ZINC000150257781 1289170928 /nfs/dbraw/zinc/17/09/28/1289170928.db2.gz NTJBCBYYTQUDCL-LBPRGKRZSA-N -1 0 338.201 2.626 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(F)c2C)n1 ZINC000817244206 1288485051 /nfs/dbraw/zinc/48/50/51/1288485051.db2.gz HYOGGVSSCYGDCJ-LBPRGKRZSA-N -1 0 332.356 2.932 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NCCCS)cn2)cc1 ZINC001171003471 1289191110 /nfs/dbraw/zinc/19/11/10/1289191110.db2.gz BYQZJDKZFCZRAM-UHFFFAOYSA-N -1 0 337.470 2.923 20 30 EFEDRM N#CNC(=NC(=O)Cc1ccccc1OC(F)(F)F)c1ccncc1 ZINC001179917737 1289337956 /nfs/dbraw/zinc/33/79/56/1289337956.db2.gz VETVPJBYWSPAQW-UHFFFAOYSA-N -1 0 348.284 2.567 20 30 EFEDRM COc1cccc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])c1OC ZINC001179967249 1289370610 /nfs/dbraw/zinc/37/06/10/1289370610.db2.gz FBCSCRNGACWVKE-UHFFFAOYSA-N -1 0 330.315 2.601 20 30 EFEDRM COc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cc1C#N ZINC000872851627 1289426002 /nfs/dbraw/zinc/42/60/02/1289426002.db2.gz BRPCZGOCGLTTAV-SFHVURJKSA-N -1 0 332.400 2.710 20 30 EFEDRM COC(=O)C1(C#N)CCN(Cc2ccc(Cl)c([O-])c2Cl)CC1 ZINC001232630350 1312747424 /nfs/dbraw/zinc/74/74/24/1312747424.db2.gz OZNYTKNRXDFBQM-UHFFFAOYSA-N -1 0 343.210 2.978 20 30 EFEDRM CCOCc1cnc2n1CCN(Cc1cc(C#N)ccc1[O-])[C@@H]2C ZINC001232676766 1312759121 /nfs/dbraw/zinc/75/91/21/1312759121.db2.gz CTNJPIDMYMZJNG-CYBMUJFWSA-N -1 0 326.400 2.574 20 30 EFEDRM CCOC(=O)CN(Cc1ccsc1)Cc1cc(C#N)ccc1[O-] ZINC001232679077 1312759801 /nfs/dbraw/zinc/75/98/01/1312759801.db2.gz ZSLDINTUYBOECR-UHFFFAOYSA-N -1 0 330.409 2.891 20 30 EFEDRM CCOC[C@@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2nn(CC)cc21 ZINC001232677528 1312759845 /nfs/dbraw/zinc/75/98/45/1312759845.db2.gz MJUXBRPTTSUODT-INIZCTEOSA-N -1 0 340.427 2.616 20 30 EFEDRM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cc(C#N)ccc1[O-] ZINC001232680340 1312760514 /nfs/dbraw/zinc/76/05/14/1312760514.db2.gz CCRWCHAQRHJZHR-OAHLLOKOSA-N -1 0 335.407 2.610 20 30 EFEDRM C[C@@H](C(=O)Nc1nc[n-]c(=O)c1Br)c1ccc(C#N)cc1 ZINC001182786047 1290254109 /nfs/dbraw/zinc/25/41/09/1290254109.db2.gz CIQYEIRBFUDCBG-MRVPVSSYSA-N -1 0 347.172 2.559 20 30 EFEDRM O=C([N-]Cc1cc(F)c(F)c(F)c1)C(F)(F)OCC(F)(F)F ZINC001183194624 1290309741 /nfs/dbraw/zinc/30/97/41/1290309741.db2.gz LUSIRIMBDXLYFK-UHFFFAOYSA-N -1 0 337.166 2.892 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184880145 1290545027 /nfs/dbraw/zinc/54/50/27/1290545027.db2.gz FUVXHVPINZDPTI-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccs1 ZINC000091857661 1290554775 /nfs/dbraw/zinc/55/47/75/1290554775.db2.gz KQHCTHSJCPUUHY-UHFFFAOYSA-N -1 0 341.458 2.972 20 30 EFEDRM C=CCOc1ccc(-c2noc(-c3nc[n-]c3[N+](=O)[O-])n2)c(F)c1 ZINC001212892907 1290629722 /nfs/dbraw/zinc/62/97/22/1290629722.db2.gz BKNDLERNRZGMAL-UHFFFAOYSA-N -1 0 331.263 2.739 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1ccsc1 ZINC001185351592 1290648188 /nfs/dbraw/zinc/64/81/88/1290648188.db2.gz CJZPMYYWHHXHDA-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)nc2ccccc12 ZINC000795625787 1290673411 /nfs/dbraw/zinc/67/34/11/1290673411.db2.gz LZWFUOMBKMTURG-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000092467553 1290760390 /nfs/dbraw/zinc/76/03/90/1290760390.db2.gz POIICQGBCWIIBR-SNVBAGLBSA-N -1 0 341.205 2.792 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc3nsnc3c2)c(C#N)c1C ZINC001186226228 1290902679 /nfs/dbraw/zinc/90/26/79/1290902679.db2.gz OWVJCEGSUPDQFS-UHFFFAOYSA-N -1 0 334.382 2.574 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cnn(CCO[C@H]2CCCCO2)c1 ZINC001212948697 1290918049 /nfs/dbraw/zinc/91/80/49/1290918049.db2.gz ZZERDAHMFRVSCW-AWEZNQCLSA-N -1 0 334.401 2.809 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1F ZINC000126181367 1291036379 /nfs/dbraw/zinc/03/63/79/1291036379.db2.gz ALBBDQPARGEGMQ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccco1 ZINC001186863075 1291040470 /nfs/dbraw/zinc/04/04/70/1291040470.db2.gz IMGXXJMBFAWBCV-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1nccs1 ZINC001187895332 1291254472 /nfs/dbraw/zinc/25/44/72/1291254472.db2.gz YOYNYGNNOYELBX-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1nccs1 ZINC001187894592 1291254556 /nfs/dbraw/zinc/25/45/56/1291254556.db2.gz ODFLVOHTTXFYBC-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2nccs2)c(OC(F)(F)F)c1 ZINC001187891082 1291265642 /nfs/dbraw/zinc/26/56/42/1291265642.db2.gz HHCZBAZZVAWOQZ-UHFFFAOYSA-N -1 0 349.315 2.714 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ncnc(OC)c1OC ZINC001187994098 1291281268 /nfs/dbraw/zinc/28/12/68/1291281268.db2.gz DBBOSYMPKNSUJF-UHFFFAOYSA-N -1 0 331.438 2.596 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188047988 1291289105 /nfs/dbraw/zinc/28/91/05/1291289105.db2.gz PCPKYKPLUFCZQF-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188047950 1291289822 /nfs/dbraw/zinc/28/98/22/1291289822.db2.gz NDSUTNZZFPTQHO-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233076732 1312849877 /nfs/dbraw/zinc/84/98/77/1312849877.db2.gz FFYJKDSQTOBAEF-OAHLLOKOSA-N -1 0 349.381 2.706 20 30 EFEDRM N#Cc1cc(Br)cc([N-]S(=O)(=O)c2ccoc2)c1 ZINC001188608155 1291419801 /nfs/dbraw/zinc/41/98/01/1291419801.db2.gz RIBXWLZDNQHDPH-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1 ZINC000775230831 1291645265 /nfs/dbraw/zinc/64/52/65/1291645265.db2.gz ADWRYECXNGHWSG-INIZCTEOSA-N -1 0 344.411 2.751 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)ccnc2C#N)c1 ZINC001189586643 1291771965 /nfs/dbraw/zinc/77/19/65/1291771965.db2.gz GCCNQCPKZWHRRZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189644690 1291778724 /nfs/dbraw/zinc/77/87/24/1291778724.db2.gz GLYLACBDTNKGHB-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM N#Cc1oc2ccccc2c1NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189678412 1291799112 /nfs/dbraw/zinc/79/91/12/1291799112.db2.gz BOKKZOMNMIDZMJ-UHFFFAOYSA-N -1 0 342.332 2.803 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)Cc2ccc(F)cc2F)c1F ZINC001189824661 1291883274 /nfs/dbraw/zinc/88/32/74/1291883274.db2.gz XJQIABHOJKEQDK-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1ccc([S-])cc1 ZINC001233259788 1312888236 /nfs/dbraw/zinc/88/82/36/1312888236.db2.gz GCWHSBZXTIYIIU-QGZVFWFLSA-N -1 0 344.484 2.889 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189957123 1291947450 /nfs/dbraw/zinc/94/74/50/1291947450.db2.gz FIFMTSXRTHTLHV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1F ZINC001190097481 1291984582 /nfs/dbraw/zinc/98/45/82/1291984582.db2.gz YUKKSDYFVHCGPV-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1cc([O-])c(C(=O)Nc2cc(F)c(C#N)cc2C)c(OC)c1 ZINC001190136583 1291999614 /nfs/dbraw/zinc/99/96/14/1291999614.db2.gz BVAMBOADOVUBBR-UHFFFAOYSA-N -1 0 330.315 2.981 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190360167 1292135785 /nfs/dbraw/zinc/13/57/85/1292135785.db2.gz RYWPQKCUJRJVJV-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190388779 1292143134 /nfs/dbraw/zinc/14/31/34/1292143134.db2.gz YESDBXMWMLCHHJ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cc1 ZINC001190430616 1292172607 /nfs/dbraw/zinc/17/26/07/1292172607.db2.gz AJOBFCDRYOKBFN-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127833779 1292175456 /nfs/dbraw/zinc/17/54/56/1292175456.db2.gz FQNTZORZZKOLFN-QWHCGFSZSA-N -1 0 341.392 2.956 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC001190616933 1292227976 /nfs/dbraw/zinc/22/79/76/1292227976.db2.gz APPROCXYSKWRPJ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c1 ZINC001190617341 1292229158 /nfs/dbraw/zinc/22/91/58/1292229158.db2.gz HACWTKUOWGJIBN-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)c1 ZINC001190657973 1292249792 /nfs/dbraw/zinc/24/97/92/1292249792.db2.gz OKBAPWGDSHXKLP-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000879763937 1292261147 /nfs/dbraw/zinc/26/11/47/1292261147.db2.gz PHAPIUKNPHTVLZ-OAHLLOKOSA-N -1 0 344.764 2.834 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCC3=O)c1 ZINC001190648034 1292262711 /nfs/dbraw/zinc/26/27/11/1292262711.db2.gz QUXORXQBFBVWIP-UHFFFAOYSA-N -1 0 330.340 2.627 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C3OCCO3)cc2)c1 ZINC001190648172 1292262965 /nfs/dbraw/zinc/26/29/65/1292262965.db2.gz VAADYESJZWYQRU-UHFFFAOYSA-N -1 0 348.355 2.544 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1F ZINC001190647660 1292263131 /nfs/dbraw/zinc/26/31/31/1292263131.db2.gz FJOLTFOKMRNASZ-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC001190647845 1292263216 /nfs/dbraw/zinc/26/32/16/1292263216.db2.gz DFQRTUWPRJECPC-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC001190648467 1292264426 /nfs/dbraw/zinc/26/44/26/1292264426.db2.gz QRBYIQMUAATGML-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648333 1292264549 /nfs/dbraw/zinc/26/45/49/1292264549.db2.gz ZZGCPSSTXMPMQH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)c1 ZINC001190651306 1292264770 /nfs/dbraw/zinc/26/47/70/1292264770.db2.gz ZXSFCWOZXGDJCU-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190648300 1292265031 /nfs/dbraw/zinc/26/50/31/1292265031.db2.gz ZNFJQMQSGBDNCT-UHFFFAOYSA-N -1 0 347.371 2.847 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1F ZINC001190651204 1292265182 /nfs/dbraw/zinc/26/51/82/1292265182.db2.gz WVTYWDGBCUJLCH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3snnc32)c1 ZINC001190655307 1292268344 /nfs/dbraw/zinc/26/83/44/1292268344.db2.gz CVSXZCBFGDWOCP-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(CO)c(Cl)c2)c1 ZINC001190655605 1292268707 /nfs/dbraw/zinc/26/87/07/1292268707.db2.gz HBNCKSNVYKMNQI-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128110439 1292314641 /nfs/dbraw/zinc/31/46/41/1292314641.db2.gz AWRSVGLIZFWJMW-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)OC)CC1 ZINC001190806524 1292324556 /nfs/dbraw/zinc/32/45/56/1292324556.db2.gz FNJLEYKDDYJVFQ-UHFFFAOYSA-N -1 0 329.805 2.977 20 30 EFEDRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190932442 1292373867 /nfs/dbraw/zinc/37/38/67/1292373867.db2.gz SDHBSFMOCMIRPC-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)c1 ZINC001190939142 1292378055 /nfs/dbraw/zinc/37/80/55/1292378055.db2.gz QERVQARZYOJZJR-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190938935 1292378429 /nfs/dbraw/zinc/37/84/29/1292378429.db2.gz GZAAXXFZHWKEHT-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1c(CO)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190969884 1292404124 /nfs/dbraw/zinc/40/41/24/1292404124.db2.gz PRPGZADSJFFJLU-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)c1 ZINC001190971843 1292405857 /nfs/dbraw/zinc/40/58/57/1292405857.db2.gz YYACQXPJBHABDC-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)c1 ZINC001190973201 1292407016 /nfs/dbraw/zinc/40/70/16/1292407016.db2.gz XJXJQETXRBEIBD-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM Cn1cnc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c21 ZINC001190973000 1292407305 /nfs/dbraw/zinc/40/73/05/1292407305.db2.gz RGCQKGKGKCBVPN-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1CO ZINC001190981979 1292412359 /nfs/dbraw/zinc/41/23/59/1292412359.db2.gz XREHDYDVMNYIGV-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM C#Cc1ccccc1C(=O)Nc1c(C)c(O)c(C(=O)OCC)cc1C#N ZINC001191116553 1292471378 /nfs/dbraw/zinc/47/13/78/1292471378.db2.gz NOGMGMXIWBRMEV-UHFFFAOYSA-N -1 0 348.358 2.983 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1C#N ZINC001191663199 1292610199 /nfs/dbraw/zinc/61/01/99/1292610199.db2.gz KMFDWZQNZFWHBX-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1O ZINC001191828830 1292684482 /nfs/dbraw/zinc/68/44/82/1292684482.db2.gz SFLKLGSVJSQPFH-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM COc1cc(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1O ZINC000096021716 1292689850 /nfs/dbraw/zinc/68/98/50/1292689850.db2.gz KKBCACDUPQKTJA-HYXAFXHYSA-N -1 0 345.307 2.919 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccccc2C#N)c(C2CCCC2)n1 ZINC000903615953 1312946452 /nfs/dbraw/zinc/94/64/52/1312946452.db2.gz SYTYOEGMVVJSHW-UHFFFAOYSA-N -1 0 330.413 2.750 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c(C#N)c1 ZINC001191872387 1292703713 /nfs/dbraw/zinc/70/37/13/1292703713.db2.gz HFIDFYZMPQBQER-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192041099 1292757392 /nfs/dbraw/zinc/75/73/92/1292757392.db2.gz SYRUJGOJMDHXIV-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000903618219 1312951515 /nfs/dbraw/zinc/95/15/15/1312951515.db2.gz FWUWQJXEJLGUKY-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM N#Cc1cc(NC(=O)c2nc(Cc3ccccc3)no2)c([O-])cc1F ZINC001192275953 1292853982 /nfs/dbraw/zinc/85/39/82/1292853982.db2.gz JEFUBSHZHHEHDP-UHFFFAOYSA-N -1 0 338.298 2.629 20 30 EFEDRM CC[C@@H]1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000796320198 1292915427 /nfs/dbraw/zinc/91/54/27/1292915427.db2.gz FLZFEGXEYMBNBA-BXUZGUMPSA-N -1 0 328.372 2.566 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cnc1Cl ZINC001192534122 1292917193 /nfs/dbraw/zinc/91/71/93/1292917193.db2.gz WBUYRTPEUWFVCJ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000775538760 1292939151 /nfs/dbraw/zinc/93/91/51/1292939151.db2.gz MPAHUIADMPTMGJ-HUUCEWRRSA-N -1 0 337.468 2.876 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000129130799 1292960868 /nfs/dbraw/zinc/96/08/68/1292960868.db2.gz XJYKJQZKTCWWFB-LLVKDONJSA-N -1 0 335.406 2.727 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192694540 1292994262 /nfs/dbraw/zinc/99/42/62/1292994262.db2.gz HUBRJIMLGKIDDW-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(F)c2[O-])cc1C#N ZINC001192706770 1293013536 /nfs/dbraw/zinc/01/35/36/1293013536.db2.gz NGZLURBBHGVCCM-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ncc(C)cc2C#N)c1 ZINC001192775584 1293033029 /nfs/dbraw/zinc/03/30/29/1293033029.db2.gz ODHXTEIZSIXXEA-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC001192805742 1293055558 /nfs/dbraw/zinc/05/55/58/1293055558.db2.gz OUWCOWJDQOASPH-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2[O-])cc1C#N ZINC001192811665 1293059369 /nfs/dbraw/zinc/05/93/69/1293059369.db2.gz VMMRDPNVHMEJJZ-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1ccc(F)c(F)c1[O-] ZINC001192817049 1293060869 /nfs/dbraw/zinc/06/08/69/1293060869.db2.gz CANFBKDRJUKCLS-UHFFFAOYSA-N -1 0 332.306 2.741 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cnccc2Cl)cn1 ZINC001192855248 1293081734 /nfs/dbraw/zinc/08/17/34/1293081734.db2.gz BYQYLGWWUOSJIT-UHFFFAOYSA-N -1 0 336.804 2.732 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1cc(F)c([O-])cc1F ZINC001192887134 1293087945 /nfs/dbraw/zinc/08/79/45/1293087945.db2.gz BIDDIOFYPLMNIO-UHFFFAOYSA-N -1 0 332.306 2.741 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cccc2c(Br)cccc12 ZINC001192928577 1293112246 /nfs/dbraw/zinc/11/22/46/1293112246.db2.gz DIWIMDWXVVMJTH-UHFFFAOYSA-N -1 0 325.187 2.868 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1c(Br)ccc2ccccc21 ZINC001192928626 1293112674 /nfs/dbraw/zinc/11/26/74/1293112674.db2.gz GQSXYOMEOCHDLK-UHFFFAOYSA-N -1 0 325.187 2.868 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1F ZINC001192985995 1293117075 /nfs/dbraw/zinc/11/70/75/1293117075.db2.gz SORLMDAPXKBIIX-UHFFFAOYSA-N -1 0 327.562 2.507 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1nccc2cc(Br)ccc21 ZINC001193106054 1293171835 /nfs/dbraw/zinc/17/18/35/1293171835.db2.gz KDIOROLIJCNCIX-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193146464 1293185981 /nfs/dbraw/zinc/18/59/81/1293185981.db2.gz NDMSJMPUUBYYSP-ZCFIWIBFSA-N -1 0 336.200 2.606 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(C(=O)c2ccccc2)c1 ZINC001193158578 1293188517 /nfs/dbraw/zinc/18/85/17/1293188517.db2.gz RYVJLTSZNBSUBP-CYBMUJFWSA-N -1 0 328.393 2.880 20 30 EFEDRM Cc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193158718 1293188917 /nfs/dbraw/zinc/18/89/17/1293188917.db2.gz UVZNHYUHSOGOND-ZDUSSCGKSA-N -1 0 343.408 2.901 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)C(F)(F)F ZINC001193160848 1293190509 /nfs/dbraw/zinc/19/05/09/1293190509.db2.gz IPKBBRVOICVIHA-ZCFIWIBFSA-N -1 0 340.710 2.739 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193169147 1293192850 /nfs/dbraw/zinc/19/28/50/1293192850.db2.gz VGQYAZIMZVJBBF-XCBNKYQSSA-N -1 0 326.727 2.775 20 30 EFEDRM N#Cc1cccc2[nH]nc(NC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193219504 1293200080 /nfs/dbraw/zinc/20/00/80/1293200080.db2.gz JARXGZSWCRVLGO-UHFFFAOYSA-N -1 0 328.715 2.751 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)c[nH]c2C)c(C)c1O ZINC001193357059 1293269752 /nfs/dbraw/zinc/26/97/52/1293269752.db2.gz FTELZLOAYWFYBR-UHFFFAOYSA-N -1 0 341.367 2.946 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001193387034 1293285914 /nfs/dbraw/zinc/28/59/14/1293285914.db2.gz RYNYZSITHBHHDI-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C[C@H](c1ccccc1)N(C(=O)c1cc(=O)[nH][n-]1)C1=CC(=O)CCC1 ZINC001193470530 1293316957 /nfs/dbraw/zinc/31/69/57/1293316957.db2.gz YWQMFVYUYOJQPF-GFCCVEGCSA-N -1 0 325.368 2.956 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]S(=O)(=O)CC1CCC1 ZINC001193478899 1293319938 /nfs/dbraw/zinc/31/99/38/1293319938.db2.gz MVKVFRBHSGSDFZ-UHFFFAOYSA-N -1 0 328.397 2.557 20 30 EFEDRM Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)n(C(=O)OC(C)(C)C)n1 ZINC001193495124 1293325018 /nfs/dbraw/zinc/32/50/18/1293325018.db2.gz XPQRVFBLYJXASW-UHFFFAOYSA-N -1 0 342.355 2.804 20 30 EFEDRM COc1ccnc(C(=O)Nc2c(C#N)cccc2C(F)(F)F)c1[O-] ZINC001193531651 1293327872 /nfs/dbraw/zinc/32/78/72/1293327872.db2.gz NDGNZYVLXHXQDS-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)c1ccc([O-])c(C#N)c1 ZINC001193503797 1293334807 /nfs/dbraw/zinc/33/48/07/1293334807.db2.gz GUTUJDOAZPSMKG-AWEZNQCLSA-N -1 0 330.384 2.600 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC3(Cc4ccccc4O3)CC2)ccc1[O-] ZINC001193504307 1293335905 /nfs/dbraw/zinc/33/59/05/1293335905.db2.gz QHZRTBQKDDXMJJ-UHFFFAOYSA-N -1 0 334.375 2.874 20 30 EFEDRM Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)ccc1N1CCOCC1 ZINC001193506479 1293336829 /nfs/dbraw/zinc/33/68/29/1293336829.db2.gz SHDJOVVQUAVPHM-UHFFFAOYSA-N -1 0 337.379 2.661 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H]2CCOc3c(F)cc(F)cc32)ccc1[O-] ZINC001193519171 1293343275 /nfs/dbraw/zinc/34/32/75/1293343275.db2.gz SKRARMHXEBHLCD-CQSZACIVSA-N -1 0 330.290 2.796 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1 ZINC001193635886 1293377407 /nfs/dbraw/zinc/37/74/07/1293377407.db2.gz GONDDDBLICHOMS-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1ncc(NC(=O)c2cccc(C#N)c2[O-])cc1Br ZINC001193635588 1293377940 /nfs/dbraw/zinc/37/79/40/1293377940.db2.gz XFUNLWRFFXMQCT-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC001193636323 1293378076 /nfs/dbraw/zinc/37/80/76/1293378076.db2.gz PNSHAYKEBUSPJE-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1cc(NC(=O)c2cccc(C#N)c2[O-])ncc1C(F)(F)F ZINC001193642788 1293381142 /nfs/dbraw/zinc/38/11/42/1293381142.db2.gz PUWWMKQPXHIHIF-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(CC(C)C)no2)c1 ZINC001193641329 1293383033 /nfs/dbraw/zinc/38/30/33/1293383033.db2.gz XGOPHFLWOMIATC-UHFFFAOYSA-N -1 0 335.385 2.554 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c1 ZINC001193644845 1293385592 /nfs/dbraw/zinc/38/55/92/1293385592.db2.gz RYSVBXVPPQHNJA-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2sccc2C(C)=O)c1 ZINC001193644543 1293386079 /nfs/dbraw/zinc/38/60/79/1293386079.db2.gz JGVZYYFPOXTTGP-UHFFFAOYSA-N -1 0 336.394 2.632 20 30 EFEDRM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000903644986 1312997982 /nfs/dbraw/zinc/99/79/82/1312997982.db2.gz LWPZLINWDGRONY-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193605726 1293390693 /nfs/dbraw/zinc/39/06/93/1293390693.db2.gz IUPMYKYGMWMJHX-UHFFFAOYSA-N -1 0 331.759 2.702 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc(Br)ccc2O)c1[O-] ZINC001193646360 1293392898 /nfs/dbraw/zinc/39/28/98/1293392898.db2.gz HUMACGHBYBGTAW-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM COC(=O)C1(c2ccc(NC(=O)c3cccc(C#N)c3[O-])cc2)CC1 ZINC001193652850 1293395149 /nfs/dbraw/zinc/39/51/49/1293395149.db2.gz QBAPMBNTPMRAKQ-UHFFFAOYSA-N -1 0 336.347 2.721 20 30 EFEDRM COC(=O)Cc1c(F)ccc(NC(=O)c2cccc(C#N)c2[O-])c1F ZINC001193652364 1293395628 /nfs/dbraw/zinc/39/56/28/1293395628.db2.gz FVRQJSARGLCPRK-UHFFFAOYSA-N -1 0 346.289 2.510 20 30 EFEDRM COC(=O)[C@H]1CCc2cc(NC(=O)c3cccc(C#N)c3[O-])ccc21 ZINC001193652612 1293396188 /nfs/dbraw/zinc/39/61/88/1293396188.db2.gz KEWJDUCJJQSDNY-HNNXBMFYSA-N -1 0 336.347 2.719 20 30 EFEDRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(OC)ccc1C#N ZINC001193655221 1293396758 /nfs/dbraw/zinc/39/67/58/1293396758.db2.gz KWFMILVBDORCEI-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc3ccsc3c2)c1 ZINC001193654330 1293397284 /nfs/dbraw/zinc/39/72/84/1293397284.db2.gz ZDQZUFKEYHYLAO-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CSc1ccc(OCCNC(=O)c2cccc(C#N)c2[O-])cc1 ZINC001193657870 1293399536 /nfs/dbraw/zinc/39/95/36/1293399536.db2.gz JOAYYDIBBWIZSP-UHFFFAOYSA-N -1 0 328.393 2.795 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001193681389 1293407869 /nfs/dbraw/zinc/40/78/69/1293407869.db2.gz WIZUYFIEBZQIKZ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(F)c2C(C)=O)c1 ZINC001193687954 1293410422 /nfs/dbraw/zinc/41/04/22/1293410422.db2.gz PTFAMJHNHVAZSJ-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM C#Cc1cnc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(C#C)n1 ZINC001193833674 1293456850 /nfs/dbraw/zinc/45/68/50/1293456850.db2.gz FZVKBTJZNXNCGN-UHFFFAOYSA-N -1 0 347.399 2.702 20 30 EFEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)C(=O)NC(C)C)cs2)cc1 ZINC000131229338 1293505921 /nfs/dbraw/zinc/50/59/21/1293505921.db2.gz LIQWYLLSBQPULK-AWEZNQCLSA-N -1 0 341.436 2.889 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194094693 1293529529 /nfs/dbraw/zinc/52/95/29/1293529529.db2.gz KZVJGNQQEGLCKA-UHFFFAOYSA-N -1 0 327.365 2.950 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1C#N ZINC001194094466 1293529854 /nfs/dbraw/zinc/52/98/54/1293529854.db2.gz BGZDAZYPIQJPMZ-UHFFFAOYSA-N -1 0 338.348 2.513 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2noc3ccccc23)cc1F ZINC001194100693 1293531751 /nfs/dbraw/zinc/53/17/51/1293531751.db2.gz KQADCCDIPOVLAN-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(Cc1c(F)cc(O)cc1F)CC2 ZINC001273672108 1293536273 /nfs/dbraw/zinc/53/62/73/1293536273.db2.gz YMCAIVXPRPMSFR-CQSZACIVSA-N -1 0 336.382 2.575 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194216786 1293557135 /nfs/dbraw/zinc/55/71/35/1293557135.db2.gz INNIHQPZEBGBNA-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](C#N)c1ccccc1 ZINC001194260281 1293573323 /nfs/dbraw/zinc/57/33/23/1293573323.db2.gz LDLFDIQFZMRFNC-INIZCTEOSA-N -1 0 332.363 2.881 20 30 EFEDRM COc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc(OC)c1F ZINC001194310050 1293581988 /nfs/dbraw/zinc/58/19/88/1293581988.db2.gz HQBKQIXVJBJQTQ-UHFFFAOYSA-N -1 0 334.278 2.812 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC001194524379 1293656811 /nfs/dbraw/zinc/65/68/11/1293656811.db2.gz KYWLYTBSCRFPSO-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC001194562554 1293669123 /nfs/dbraw/zinc/66/91/23/1293669123.db2.gz UVGNLICYMXBMNI-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM Cc1cccc(C)c1S(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001194605723 1293678798 /nfs/dbraw/zinc/67/87/98/1293678798.db2.gz SFLMYOLGJMBHLZ-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2cccnc2OC)cc(CC)c1C#N ZINC001194717681 1293704539 /nfs/dbraw/zinc/70/45/39/1293704539.db2.gz JGQGULQEHFNKCY-UHFFFAOYSA-N -1 0 345.424 2.887 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)n2)c(C)c1C ZINC001194837139 1293727276 /nfs/dbraw/zinc/72/72/76/1293727276.db2.gz LBHAQGOTUYZUET-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C)cc2C#N)c(C)c1C ZINC001194844213 1293736812 /nfs/dbraw/zinc/73/68/12/1293736812.db2.gz XXYFPBIJRFAYEM-UHFFFAOYSA-N -1 0 345.424 2.996 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194980762 1293766133 /nfs/dbraw/zinc/76/61/33/1293766133.db2.gz JAQNAENOFFDZHK-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1F ZINC001194987255 1293768137 /nfs/dbraw/zinc/76/81/37/1293768137.db2.gz DPXYBIAYFPJAFU-UHFFFAOYSA-N -1 0 327.340 2.551 20 30 EFEDRM C[Si](C)(C)CCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccc1 ZINC001195041425 1293781642 /nfs/dbraw/zinc/78/16/42/1293781642.db2.gz DJOJUMAMOGFQBW-UHFFFAOYSA-N -1 0 348.504 2.824 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)CC[Si](C)(C)C)c1C#N ZINC001195048712 1293783020 /nfs/dbraw/zinc/78/30/20/1293783020.db2.gz RPBNTJQILFBJBU-UHFFFAOYSA-N -1 0 331.901 2.995 20 30 EFEDRM Cc1ccc([O-])c(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)n1 ZINC001195322215 1293876550 /nfs/dbraw/zinc/87/65/50/1293876550.db2.gz MFOPKSYSDNQCRY-UHFFFAOYSA-N -1 0 331.335 2.677 20 30 EFEDRM N#Cc1ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c(O)c1 ZINC001195303191 1293885154 /nfs/dbraw/zinc/88/51/54/1293885154.db2.gz SZZJQHLXTMSNPG-UHFFFAOYSA-N -1 0 326.205 2.778 20 30 EFEDRM Cc1cc(C#N)cc(C(=O)Nc2n[nH]c(CC(=O)c3ccccc3)n2)c1 ZINC001195409116 1293909707 /nfs/dbraw/zinc/90/97/07/1293909707.db2.gz GXIIYKOGJFDABY-UHFFFAOYSA-N -1 0 345.362 2.663 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccccc1 ZINC000133759251 1293992942 /nfs/dbraw/zinc/99/29/42/1293992942.db2.gz JGIXFTRIPVOZKA-AWEZNQCLSA-N -1 0 347.440 2.629 20 30 EFEDRM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)C(=O)N3CCCC3)c12 ZINC000102117463 1293999221 /nfs/dbraw/zinc/99/92/21/1293999221.db2.gz WIPWFKIBGAPHQZ-ZDUSSCGKSA-N -1 0 340.383 2.600 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000102117860 1294000187 /nfs/dbraw/zinc/00/01/87/1294000187.db2.gz PDOIAYSFUNUZAI-ZDUSSCGKSA-N -1 0 347.371 2.622 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ncc(C#N)cc2Br)c([O-])c1 ZINC001195733857 1294004193 /nfs/dbraw/zinc/00/41/93/1294004193.db2.gz XIMKRYMWNWPYHV-UHFFFAOYSA-N -1 0 343.140 2.545 20 30 EFEDRM CC1(C)NC(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc21 ZINC001195757223 1294014586 /nfs/dbraw/zinc/01/45/86/1294014586.db2.gz AHOGEKMLBZMENC-UHFFFAOYSA-N -1 0 336.351 2.886 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(O)cc2Br)c([O-])c1 ZINC001195759207 1294015388 /nfs/dbraw/zinc/01/53/88/1294015388.db2.gz ZHIWOJHSZBRFMF-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM COC(=O)c1cnc2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2c1 ZINC001195759202 1294015417 /nfs/dbraw/zinc/01/54/17/1294015417.db2.gz ZDEJZEZVHAZFPG-UHFFFAOYSA-N -1 0 347.330 2.851 20 30 EFEDRM N#Cc1ccc(C(=O)NCC2(CC3CCC3)CCOCC2)c([O-])c1 ZINC001195768052 1294019544 /nfs/dbraw/zinc/01/95/44/1294019544.db2.gz DMLRPVUFYMHYPD-UHFFFAOYSA-N -1 0 328.412 2.981 20 30 EFEDRM COc1cccc(Cn2nccc2NC(=O)c2ccc(C#N)cc2[O-])c1 ZINC001195740906 1294025438 /nfs/dbraw/zinc/02/54/38/1294025438.db2.gz MIGJBUGAGXZGKS-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM CC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1 ZINC001195751108 1294029488 /nfs/dbraw/zinc/02/94/88/1294029488.db2.gz QEVDTEVTBPUJMW-UHFFFAOYSA-N -1 0 344.411 2.848 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000133953269 1294039635 /nfs/dbraw/zinc/03/96/35/1294039635.db2.gz KVSZOQJRXMDKPL-UHFFFAOYSA-N -1 0 347.367 2.639 20 30 EFEDRM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1F ZINC001196243957 1294182887 /nfs/dbraw/zinc/18/28/87/1294182887.db2.gz CVOWALZCQPVGLE-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)n2)cc1 ZINC001196274889 1294188712 /nfs/dbraw/zinc/18/87/12/1294188712.db2.gz SDVJVROGKAEOSP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)n2)s1 ZINC001196286485 1294192928 /nfs/dbraw/zinc/19/29/28/1294192928.db2.gz KCXVTCMMFLSDKP-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM Cc1cc(CNC(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)[nH]n1 ZINC001196319940 1294196493 /nfs/dbraw/zinc/19/64/93/1294196493.db2.gz GSIUUQSPSUCFFK-UHFFFAOYSA-N -1 0 332.363 2.892 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c(F)c1 ZINC001196347270 1294206310 /nfs/dbraw/zinc/20/63/10/1294206310.db2.gz OJEHZOQYVZFGQZ-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c(F)c1 ZINC001196347507 1294206347 /nfs/dbraw/zinc/20/63/47/1294206347.db2.gz YNJUXYREXDGQEG-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121451605 1294292549 /nfs/dbraw/zinc/29/25/49/1294292549.db2.gz WUALVGWFKYOTGR-LBPRGKRZSA-N -1 0 326.274 2.530 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1O ZINC001196679788 1294314142 /nfs/dbraw/zinc/31/41/42/1294314142.db2.gz MGTVCVRLRVZCTL-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1C#N ZINC001196680157 1294314174 /nfs/dbraw/zinc/31/41/74/1294314174.db2.gz CRUSGYMDTAWUOO-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(CO)c1 ZINC001196679636 1294314381 /nfs/dbraw/zinc/31/43/81/1294314381.db2.gz FBZYRTOLCLXHDE-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC001196680191 1294314454 /nfs/dbraw/zinc/31/44/54/1294314454.db2.gz DTJWLYSWNGRVPN-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C#N)c1 ZINC001196679823 1294314849 /nfs/dbraw/zinc/31/48/49/1294314849.db2.gz NQFIRJQHVZFSHY-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1C#N ZINC001196680688 1294315961 /nfs/dbraw/zinc/31/59/61/1294315961.db2.gz YNNDXQRNTLNIQN-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C2 ZINC001196680591 1294316066 /nfs/dbraw/zinc/31/60/66/1294316066.db2.gz SNEUMWSZGPVJFX-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM COc1nc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196647599 1294318378 /nfs/dbraw/zinc/31/83/78/1294318378.db2.gz JNIAJVXFBMJTCY-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccn12 ZINC001196648553 1294318847 /nfs/dbraw/zinc/31/88/47/1294318847.db2.gz XNNPHAPIAAEWSM-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC001196650607 1294319691 /nfs/dbraw/zinc/31/96/91/1294319691.db2.gz RTJDBNPYYVZGKY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC001196703530 1294334253 /nfs/dbraw/zinc/33/42/53/1294334253.db2.gz DVRPMXCDFQUKEK-NSHDSACASA-N -1 0 338.738 2.831 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC001196690879 1294346668 /nfs/dbraw/zinc/34/66/68/1294346668.db2.gz ZAIDMIXNICTXEA-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CC(F)(F)C(F)(F)F ZINC001196691434 1294348294 /nfs/dbraw/zinc/34/82/94/1294348294.db2.gz NKVCYYUMVFBHSC-UHFFFAOYSA-N -1 0 348.680 2.688 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc3c(n2)CC[C@@H](C)C3)ccc1C#N ZINC000903689790 1313072786 /nfs/dbraw/zinc/07/27/86/1313072786.db2.gz QAJJTELEIVRVHQ-LLVKDONJSA-N -1 0 342.424 2.582 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C)c(C#N)c1 ZINC001197030908 1294444630 /nfs/dbraw/zinc/44/46/30/1294444630.db2.gz JQKLMOFLUNJXCA-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC001197031893 1294445295 /nfs/dbraw/zinc/44/52/95/1294445295.db2.gz UZMWNQWTXPFHMM-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000135975775 1294453304 /nfs/dbraw/zinc/45/33/04/1294453304.db2.gz VLKFPCMPXXGACY-CYBMUJFWSA-N -1 0 333.384 2.991 20 30 EFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)s2)c1 ZINC001197077273 1294454365 /nfs/dbraw/zinc/45/43/65/1294454365.db2.gz DEPNZBSVZFGBRJ-VMPITWQZSA-N -1 0 348.405 2.607 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCOC3(CCC3)C2)n1 ZINC000885660809 1294464799 /nfs/dbraw/zinc/46/47/99/1294464799.db2.gz LHSJJHBPXFIRKA-OLZOCXBDSA-N -1 0 348.424 2.520 20 30 EFEDRM C#C[C@@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)[C@@H](CC)CCCC ZINC001234188975 1313077496 /nfs/dbraw/zinc/07/74/96/1313077496.db2.gz HNXBPFBFDAOVOY-NWDGAFQWSA-N -1 0 336.388 2.580 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001197347856 1294506578 /nfs/dbraw/zinc/50/65/78/1294506578.db2.gz FIWTVMCBDVFBIY-UHFFFAOYSA-N -1 0 349.412 2.794 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c1 ZINC001197386217 1294524312 /nfs/dbraw/zinc/52/43/12/1294524312.db2.gz VINGWDUSEPQHGS-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1ccc(-c2ccc(C(=O)NCCCC[P@](=O)([O-])O)o2)cc1 ZINC001197402201 1294531619 /nfs/dbraw/zinc/53/16/19/1294531619.db2.gz ZTLGYBPWSXUHKA-UHFFFAOYSA-N -1 0 348.295 2.506 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796371753 1294576633 /nfs/dbraw/zinc/57/66/33/1294576633.db2.gz TVPRFLNOPKRNRZ-VHSXEESVSA-N -1 0 328.340 2.606 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCOC(C)(C)C)n1 ZINC000803752362 1313090871 /nfs/dbraw/zinc/09/08/71/1313090871.db2.gz QVYCIWJLRBNGLP-LBPRGKRZSA-N -1 0 338.429 2.766 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C#N)c1 ZINC001197649882 1294645594 /nfs/dbraw/zinc/64/55/94/1294645594.db2.gz VNVSFIXPRKNYNF-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccnc2OCC2CC2)c([O-])cc1F ZINC001197668947 1294652990 /nfs/dbraw/zinc/65/29/90/1294652990.db2.gz CKIOKCHZNPTFMP-UHFFFAOYSA-N -1 0 327.315 2.839 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1Cl ZINC000136567924 1294677300 /nfs/dbraw/zinc/67/73/00/1294677300.db2.gz XMQRIFFSYCGVNH-CQSZACIVSA-N -1 0 342.782 2.987 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c(C#N)n1 ZINC001197725989 1294696401 /nfs/dbraw/zinc/69/64/01/1294696401.db2.gz MHUQZBWBKPIDMJ-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(OC(C)C)c(C)c1 ZINC001234284019 1313094975 /nfs/dbraw/zinc/09/49/75/1313094975.db2.gz BHRJFVCAPKPXJN-OAHLLOKOSA-N -1 0 344.429 2.620 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)cc2)C(=O)O1 ZINC000048520689 1294864160 /nfs/dbraw/zinc/86/41/60/1294864160.db2.gz UUHNHXIWFJXSJD-HJHHMULASA-N -1 0 335.153 2.677 20 30 EFEDRM C=CC[C@@H](CCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234354523 1313111531 /nfs/dbraw/zinc/11/15/31/1313111531.db2.gz HSKPVPXSZXTIEU-JTQLQIEISA-N -1 0 325.361 2.807 20 30 EFEDRM C=CC[C@H](CCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234354524 1313111600 /nfs/dbraw/zinc/11/16/00/1313111600.db2.gz HSKPVPXSZXTIEU-SNVBAGLBSA-N -1 0 325.361 2.807 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198148463 1294912586 /nfs/dbraw/zinc/91/25/86/1294912586.db2.gz OJLVUXQWURBOHT-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154169 1294915737 /nfs/dbraw/zinc/91/57/37/1294915737.db2.gz QMJCXBLKBYFUPJ-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(F)c1F ZINC001198234515 1294947062 /nfs/dbraw/zinc/94/70/62/1294947062.db2.gz MTPQKGLBQUWNJT-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC001198702199 1295187076 /nfs/dbraw/zinc/18/70/76/1295187076.db2.gz LUNSPCIHIPXMBL-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM CC(C)CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234512793 1313141635 /nfs/dbraw/zinc/14/16/35/1313141635.db2.gz DYAPNIJNCPTCMW-NSHDSACASA-N -1 0 329.356 2.564 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)c(C)c1 ZINC001198951637 1295349122 /nfs/dbraw/zinc/34/91/22/1295349122.db2.gz UXGNWJMHFQPPFO-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC/C=C\CCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234529130 1313147487 /nfs/dbraw/zinc/14/74/87/1313147487.db2.gz BTWUKOZOLIZESZ-QMAVJUDZSA-N -1 0 341.367 2.874 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)C(C1CCC1)C1CCC1)cc2=O ZINC000803787770 1313155520 /nfs/dbraw/zinc/15/55/20/1313155520.db2.gz HLLDKOQGHUEWNX-UHFFFAOYSA-N -1 0 340.383 2.566 20 30 EFEDRM Cc1nc(O[C@@H](C)C#C[Si](C)(C)C)c(Br)c(=O)[n-]1 ZINC001234570366 1313160221 /nfs/dbraw/zinc/16/02/21/1313160221.db2.gz WYYOPNKAYMJUKQ-QMMMGPOBSA-N -1 0 329.270 2.901 20 30 EFEDRM O=C(CCc1nc(-c2ccc(OC3COC3)cc2)no1)C1=CC=C[CH]1 ZINC001204656763 1313178236 /nfs/dbraw/zinc/17/82/36/1313178236.db2.gz QTLINZOFUSRKHN-UHFFFAOYSA-N -1 0 337.355 2.716 20 30 EFEDRM C#C[C@@H](CCCC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894787 1313204587 /nfs/dbraw/zinc/20/45/87/1313204587.db2.gz LTZDVXIZYVGQPH-LBPRGKRZSA-N -1 0 341.367 2.602 20 30 EFEDRM CC#CC[C@@H](CC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894810 1313204852 /nfs/dbraw/zinc/20/48/52/1313204852.db2.gz LXOWLTNWZAHESK-GFCCVEGCSA-N -1 0 341.367 2.602 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000776090525 1296264539 /nfs/dbraw/zinc/26/45/39/1296264539.db2.gz MGPIQFMQQDXVDK-OAHLLOKOSA-N -1 0 339.457 2.957 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000776096799 1296285362 /nfs/dbraw/zinc/28/53/62/1296285362.db2.gz DYPXXUIFNBCMLZ-CHWSQXEVSA-N -1 0 327.771 2.695 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(C)cc1 ZINC000776140798 1296605350 /nfs/dbraw/zinc/60/53/50/1296605350.db2.gz LFSIRTGGQYHXBM-CQSZACIVSA-N -1 0 336.457 2.875 20 30 EFEDRM CSc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1 ZINC000776142069 1296649318 /nfs/dbraw/zinc/64/93/18/1296649318.db2.gz HIQCDEAGJLKAEL-UHFFFAOYSA-N -1 0 346.861 2.671 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201252012 1296660272 /nfs/dbraw/zinc/66/02/72/1296660272.db2.gz QMBUDEHOYJKNGE-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccncc2C(F)(F)F)cc1C#N ZINC001201287355 1296683460 /nfs/dbraw/zinc/68/34/60/1296683460.db2.gz HMKABWCACNTQSU-UHFFFAOYSA-N -1 0 341.314 2.503 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)cc1C#N ZINC001201295364 1296708842 /nfs/dbraw/zinc/70/88/42/1296708842.db2.gz PLYQVROORZQREK-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(C)n23)cc1C#N ZINC001201294581 1296709284 /nfs/dbraw/zinc/70/92/84/1296709284.db2.gz AIZHSTSNUYPMPN-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2cnn3C)cc1C#N ZINC001201317756 1296723853 /nfs/dbraw/zinc/72/38/53/1296723853.db2.gz ZWDYWGKZTISXSW-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3nnsc32)cc1C#N ZINC001201323029 1296726905 /nfs/dbraw/zinc/72/69/05/1296726905.db2.gz XFJAWYCMLHBQJG-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322315 1296727783 /nfs/dbraw/zinc/72/77/83/1296727783.db2.gz IOYIWQZMQWGPBY-UHFFFAOYSA-N -1 0 345.355 2.687 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121582974 1296844570 /nfs/dbraw/zinc/84/45/70/1296844570.db2.gz PBCWLZVXFFCKOB-SECBINFHSA-N -1 0 343.608 2.950 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001201452335 1296850647 /nfs/dbraw/zinc/85/06/47/1296850647.db2.gz JLYZVCLMGWXSJV-UHFFFAOYSA-N -1 0 335.410 2.510 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccsc1C(=O)[O-] ZINC001205565694 1313314046 /nfs/dbraw/zinc/31/40/46/1313314046.db2.gz SAVQAEOZDJJRGR-JTQLQIEISA-N -1 0 345.380 2.852 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001201585116 1296944262 /nfs/dbraw/zinc/94/42/62/1296944262.db2.gz BZYWTYPVMFABEK-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOC[C@H]2CCCO2)c1[O-] ZINC000114990806 1313333668 /nfs/dbraw/zinc/33/36/68/1313333668.db2.gz RHDQNGFSUBCUGQ-GGNJANJASA-N -1 0 328.752 2.568 20 30 EFEDRM CCOC(=O)[C@H](C#C[Si](C)(C)C)OCc1ccc(C(=O)[O-])cc1 ZINC001205680352 1313336801 /nfs/dbraw/zinc/33/68/01/1313336801.db2.gz CGYCLAUKJFRRRA-HNNXBMFYSA-N -1 0 334.444 2.714 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC001201760278 1297058743 /nfs/dbraw/zinc/05/87/43/1297058743.db2.gz HQLNYACHPNKVIJ-UHFFFAOYSA-N -1 0 327.818 2.972 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2sc(Cl)nc2C)ccc1C#N ZINC001201760922 1297060137 /nfs/dbraw/zinc/06/01/37/1297060137.db2.gz VRCXNJWNMZCFFN-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001201732855 1297076006 /nfs/dbraw/zinc/07/60/06/1297076006.db2.gz FHSUBRGYZWIDGN-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc(C#N)nc2)c(C)c1C ZINC001201792344 1297079297 /nfs/dbraw/zinc/07/92/97/1297079297.db2.gz CSCDVVDKHXPQFD-UHFFFAOYSA-N -1 0 330.413 2.691 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)NC(C(=O)OCC)=C(C)O ZINC001201837961 1297121366 /nfs/dbraw/zinc/12/13/66/1297121366.db2.gz CHQZYGXRGUYMMF-HNNXBMFYSA-N -1 0 349.493 2.567 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-][C@@H](CO)C(F)(F)F ZINC001201837584 1297121723 /nfs/dbraw/zinc/12/17/23/1297121723.db2.gz ZWZGAXQEGLNTDH-LBPRGKRZSA-N -1 0 333.416 2.970 20 30 EFEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000042292313 1297697154 /nfs/dbraw/zinc/69/71/54/1297697154.db2.gz FNFSIAXUSKBIEJ-UHFFFAOYSA-N -1 0 340.426 2.848 20 30 EFEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000042303263 1297698787 /nfs/dbraw/zinc/69/87/87/1297698787.db2.gz PMHVSWVVNSYMHK-UHFFFAOYSA-N -1 0 344.392 2.845 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000048478835 1297758421 /nfs/dbraw/zinc/75/84/21/1297758421.db2.gz MYLSSNNBNHJRNB-UHFFFAOYSA-N -1 0 335.225 2.988 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022885 1297782482 /nfs/dbraw/zinc/78/24/82/1297782482.db2.gz DDWFSBASMIOUPB-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1csc(C(=O)[O-])c1 ZINC001206298580 1313432482 /nfs/dbraw/zinc/43/24/82/1313432482.db2.gz HRCBEDCZRSOAOV-UHFFFAOYSA-N -1 0 326.395 2.898 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000190799065 1298220855 /nfs/dbraw/zinc/22/08/55/1298220855.db2.gz NWMYBUVCJWQAPA-UHFFFAOYSA-N -1 0 342.420 2.629 20 30 EFEDRM N#Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccn1 ZINC001206627061 1313486195 /nfs/dbraw/zinc/48/61/95/1313486195.db2.gz LMWFMSWMPOTSGQ-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCC1 ZINC000192248689 1298337589 /nfs/dbraw/zinc/33/75/89/1298337589.db2.gz BNWUQTYWEKAPJI-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000108250272 1298493870 /nfs/dbraw/zinc/49/38/70/1298493870.db2.gz BQKMOBQDQBOJPZ-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000193805800 1298496249 /nfs/dbraw/zinc/49/62/49/1298496249.db2.gz JMBYGYSBBVSVCY-AWEZNQCLSA-N -1 0 336.819 2.902 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000195198061 1298622624 /nfs/dbraw/zinc/62/26/24/1298622624.db2.gz JZQHHLUBMSETEF-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000086055490 1299256009 /nfs/dbraw/zinc/25/60/09/1299256009.db2.gz DDLVPWRRRNNIIQ-CHWSQXEVSA-N -1 0 344.477 2.500 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cnn(-c2ccccc2F)c1 ZINC000086054907 1299256523 /nfs/dbraw/zinc/25/65/23/1299256523.db2.gz VGDMJZUEFZHYQD-UHFFFAOYSA-N -1 0 337.376 2.588 20 30 EFEDRM N#Cc1c(F)cc(Br)cc1[N-]S(=O)(=O)C(F)(F)F ZINC001252359793 1299319831 /nfs/dbraw/zinc/31/98/31/1299319831.db2.gz LGNYVDJWAGXQNH-UHFFFAOYSA-N -1 0 347.087 2.721 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1C#N ZINC000776555085 1299486309 /nfs/dbraw/zinc/48/63/09/1299486309.db2.gz NTWDIYTYTGQZIR-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1Cl)C(=O)[O-] ZINC000776596913 1299714599 /nfs/dbraw/zinc/71/45/99/1299714599.db2.gz KBVHHBIISACWFM-WTNCMQEWSA-N -1 0 329.805 2.650 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)/C=C\c1ccccc1Cl)C(=O)[O-] ZINC000776596915 1299715139 /nfs/dbraw/zinc/71/51/39/1299715139.db2.gz KBVHHBIISACWFM-XPSMFNQNSA-N -1 0 329.805 2.650 20 30 EFEDRM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc(OC)c1O ZINC000254513132 1299722967 /nfs/dbraw/zinc/72/29/67/1299722967.db2.gz CZBACVXZWLYUEQ-UHFFFAOYSA-N -1 0 346.368 2.806 20 30 EFEDRM CCOC(=O)c1sc(SC)c(C#N)c1[N-]S(=O)(=O)C(C)C ZINC001252420897 1299894587 /nfs/dbraw/zinc/89/45/87/1299894587.db2.gz HTSFDDDODHUMTK-UHFFFAOYSA-N -1 0 348.471 2.668 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)n1 ZINC000853108157 1300009923 /nfs/dbraw/zinc/00/99/23/1300009923.db2.gz CWAYCXFZZJYOGF-TZNOJPMFSA-N -1 0 329.381 2.848 20 30 EFEDRM CC[C@H](NN=Cc1c(Br)c2ccccc2n1C)C(=O)[O-] ZINC000853348834 1300094105 /nfs/dbraw/zinc/09/41/05/1300094105.db2.gz NUIZOFIJUULXDL-JTQLQIEISA-N -1 0 338.205 2.728 20 30 EFEDRM CCCCCC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000776695281 1300305549 /nfs/dbraw/zinc/30/55/49/1300305549.db2.gz ZKCGXUDDNVGGRS-OAHLLOKOSA-N -1 0 338.429 2.602 20 30 EFEDRM CCOC(=O)N1CCC[C@H]([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776721221 1300471027 /nfs/dbraw/zinc/47/10/27/1300471027.db2.gz CWOAUEUZWAWGBN-WJNVDMNUSA-N -1 0 349.387 2.976 20 30 EFEDRM COCCO[C@@H]1COCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000776721651 1300480443 /nfs/dbraw/zinc/48/04/43/1300480443.db2.gz IXNRAXMNSNXOJJ-JAEYLYOOSA-N -1 0 348.226 2.938 20 30 EFEDRM COCCO[C@@H]1COCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000776721653 1300480527 /nfs/dbraw/zinc/48/05/27/1300480527.db2.gz IXNRAXMNSNXOJJ-LHPWLWLSSA-N -1 0 348.226 2.938 20 30 EFEDRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000088799470 1300630217 /nfs/dbraw/zinc/63/02/17/1300630217.db2.gz JHXMNQPUSNIICZ-UHFFFAOYSA-N -1 0 346.836 2.634 20 30 EFEDRM O=C(C=C1CCC1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000088808131 1300633757 /nfs/dbraw/zinc/63/37/57/1300633757.db2.gz PMPBADIIRMINAB-UHFFFAOYSA-N -1 0 325.777 2.743 20 30 EFEDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000088810034 1300640778 /nfs/dbraw/zinc/64/07/78/1300640778.db2.gz LSCWJXOWNAURCY-CYBMUJFWSA-N -1 0 334.397 2.839 20 30 EFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCCCC1=O ZINC000088818507 1300642042 /nfs/dbraw/zinc/64/20/42/1300642042.db2.gz FIQZLUNUFZXJFQ-CQSZACIVSA-N -1 0 344.477 2.643 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(SC)o1 ZINC000112484068 1300655781 /nfs/dbraw/zinc/65/57/81/1300655781.db2.gz ROQGRLRQSRZSPI-SNVBAGLBSA-N -1 0 330.365 2.971 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1 ZINC000112484237 1300656027 /nfs/dbraw/zinc/65/60/27/1300656027.db2.gz JYKNQCGDJOYOST-ZDUSSCGKSA-N -1 0 344.392 2.649 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3n2C)c1 ZINC000089490581 1300820696 /nfs/dbraw/zinc/82/06/96/1300820696.db2.gz HCTQDJFGNIJPTP-UHFFFAOYSA-N -1 0 346.412 2.649 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c1C#N ZINC000795389925 1300922598 /nfs/dbraw/zinc/92/25/98/1300922598.db2.gz ZUPGEFDUTYDALY-NSHDSACASA-N -1 0 334.372 2.860 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000089970901 1300961826 /nfs/dbraw/zinc/96/18/26/1300961826.db2.gz BKJMPUKEEQPBMN-CYBMUJFWSA-N -1 0 338.473 2.908 20 30 EFEDRM CCOC(=O)C1(C#N)CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237991854 1313741980 /nfs/dbraw/zinc/74/19/80/1313741980.db2.gz GLTSQMXEDUVWIZ-UHFFFAOYSA-N -1 0 340.782 2.854 20 30 EFEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2nncn2c1 ZINC000113651173 1301106828 /nfs/dbraw/zinc/10/68/28/1301106828.db2.gz JTWAARSSOWNNIW-CQSZACIVSA-N -1 0 343.346 2.724 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000856030031 1301210204 /nfs/dbraw/zinc/21/02/04/1301210204.db2.gz MXJHOTZRZAKALI-HNNXBMFYSA-N -1 0 334.416 2.746 20 30 EFEDRM C=CCCO[N-]C(=O)[C@]1(C)CC1(Br)Br ZINC000856028629 1301210346 /nfs/dbraw/zinc/21/03/46/1301210346.db2.gz YWZZQTHCYARIBS-QMMMGPOBSA-N -1 0 327.016 2.506 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C ZINC000856031843 1301210411 /nfs/dbraw/zinc/21/04/11/1301210411.db2.gz ABXLXJORQKYYCQ-UHFFFAOYSA-N -1 0 348.428 2.830 20 30 EFEDRM C=CCCO[N-]C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000856030556 1301210464 /nfs/dbraw/zinc/21/04/64/1301210464.db2.gz IMEGEAINOCUREK-OAHLLOKOSA-N -1 0 338.816 2.893 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000856029084 1301211349 /nfs/dbraw/zinc/21/13/49/1301211349.db2.gz YXVURCAUMOGIFH-UHFFFAOYSA-N -1 0 333.413 2.597 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000856033055 1301211832 /nfs/dbraw/zinc/21/18/32/1301211832.db2.gz YWZADSBRGZWYHW-UONOGXRCSA-N -1 0 336.388 2.874 20 30 EFEDRM C=CCCO[N-]C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000856033140 1301212377 /nfs/dbraw/zinc/21/23/77/1301212377.db2.gz ZHFIBBSQTFYJTG-UHFFFAOYSA-N -1 0 337.441 2.705 20 30 EFEDRM C=CCCO[N-]C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000856032910 1301212478 /nfs/dbraw/zinc/21/24/78/1301212478.db2.gz WXTUKCJKMACHCB-UHFFFAOYSA-N -1 0 346.427 2.673 20 30 EFEDRM CCOC(=O)C1(C#N)CCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238150445 1313771796 /nfs/dbraw/zinc/77/17/96/1313771796.db2.gz UQRUHBGINQYSDS-UHFFFAOYSA-N -1 0 340.782 2.854 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn(C2CC2)nn1 ZINC000860451763 1301810099 /nfs/dbraw/zinc/81/00/99/1301810099.db2.gz MHLJFBLZCPJTKJ-ZDUSSCGKSA-N -1 0 333.351 2.608 20 30 EFEDRM CCc1nocc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000860690825 1301886291 /nfs/dbraw/zinc/88/62/91/1301886291.db2.gz GRFBCWIFSWUXNB-GFCCVEGCSA-N -1 0 331.759 2.529 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000860756488 1301907924 /nfs/dbraw/zinc/90/79/24/1301907924.db2.gz DQMKROISNQSWOY-UHFFFAOYSA-N -1 0 342.848 2.658 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)C ZINC000861013627 1301990750 /nfs/dbraw/zinc/99/07/50/1301990750.db2.gz NXIKWZGKUJZNAR-ZDUSSCGKSA-N -1 0 340.420 2.716 20 30 EFEDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013622 1301991215 /nfs/dbraw/zinc/99/12/15/1301991215.db2.gz NGECNYICSIHXBM-UHFFFAOYSA-N -1 0 340.420 2.716 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862217381 1302308914 /nfs/dbraw/zinc/30/89/14/1302308914.db2.gz CBUHYJZMXTYESU-OAHLLOKOSA-N -1 0 334.416 2.951 20 30 EFEDRM Cc1cc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)ccn1 ZINC000863159762 1302542921 /nfs/dbraw/zinc/54/29/21/1302542921.db2.gz ZYWRBFMHIYXCFV-UHFFFAOYSA-N -1 0 327.384 2.696 20 30 EFEDRM O=C([O-])Cn1cc(C=NNCC(F)(F)C(F)(F)F)c2ccccc21 ZINC000863181612 1302549525 /nfs/dbraw/zinc/54/95/25/1302549525.db2.gz RYBTTXSULRPBIF-UHFFFAOYSA-N -1 0 349.259 2.847 20 30 EFEDRM C#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000119341562 1302556768 /nfs/dbraw/zinc/55/67/68/1302556768.db2.gz OKDHCDWIKFLBDP-UHFFFAOYSA-N -1 0 335.406 2.729 20 30 EFEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C ZINC000863428081 1302610525 /nfs/dbraw/zinc/61/05/25/1302610525.db2.gz PNFIXTPTCGVMER-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000119591102 1302685736 /nfs/dbraw/zinc/68/57/36/1302685736.db2.gz LETFKGGFIHQXPD-HNNXBMFYSA-N -1 0 329.356 2.675 20 30 EFEDRM Cc1cc(C(=O)Nc2ccncc2O)c(C)n1-c1ccc(C#N)cc1 ZINC000748311871 1313863823 /nfs/dbraw/zinc/86/38/23/1313863823.db2.gz DLBCCUIHXTVFTD-UHFFFAOYSA-N -1 0 332.363 2.741 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1sc2nc(C)nc(C)c2c1C ZINC000863965922 1302748410 /nfs/dbraw/zinc/74/84/10/1302748410.db2.gz RVALSMCPWADJGO-UHFFFAOYSA-N -1 0 343.416 2.652 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794591390 1302792295 /nfs/dbraw/zinc/79/22/95/1302792295.db2.gz YRCKGSKPSHZWBI-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM C=C(Cl)C[C@H](NCc1nc2ccc(OC)cc2s1)C(=O)[O-] ZINC000864518701 1302957404 /nfs/dbraw/zinc/95/74/04/1302957404.db2.gz RKOZQASJCMGVSC-NSHDSACASA-N -1 0 326.805 2.990 20 30 EFEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2ccccc2CC)nn1 ZINC000864528424 1302963851 /nfs/dbraw/zinc/96/38/51/1302963851.db2.gz PQJUEEMKNYIOCS-KRWDZBQOSA-N -1 0 328.416 2.722 20 30 EFEDRM CN(C)Cc1cnc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000794701612 1302990403 /nfs/dbraw/zinc/99/04/03/1302990403.db2.gz LVAHKGMAVIGXOT-AATRIKPKSA-N -1 0 333.369 2.715 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccc(Cl)o1 ZINC000091125774 1303027632 /nfs/dbraw/zinc/02/76/32/1303027632.db2.gz CJJADGHQKFBMIT-UHFFFAOYSA-N -1 0 341.772 2.952 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccccc2-n2ccnn2)c1 ZINC000794732164 1303033348 /nfs/dbraw/zinc/03/33/48/1303033348.db2.gz OSEVQPBMLJTFCR-CMDGGOBGSA-N -1 0 349.346 2.627 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794715123 1303038340 /nfs/dbraw/zinc/03/83/40/1303038340.db2.gz URIFQQWQMSUEGD-UIJKISKDSA-N -1 0 344.319 2.814 20 30 EFEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000794734067 1303041668 /nfs/dbraw/zinc/04/16/68/1303041668.db2.gz XGWVSLHFPWAEGA-DUXPYHPUSA-N -1 0 329.333 2.673 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cn(C3CC3)cn2)c1)C(=O)[O-] ZINC000865218899 1303192837 /nfs/dbraw/zinc/19/28/37/1303192837.db2.gz TYZOGRJTEFPJQB-FZKGZDJFSA-N -1 0 326.352 2.966 20 30 EFEDRM C=CCOC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000794847959 1303294264 /nfs/dbraw/zinc/29/42/64/1303294264.db2.gz KZEJZNXRERMSDX-JGSGYBEMSA-N -1 0 332.183 2.862 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000794936380 1303718255 /nfs/dbraw/zinc/71/82/55/1303718255.db2.gz ACBFQBCLGMXFGS-ONEGZZNKSA-N -1 0 337.378 2.976 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794944469 1303736239 /nfs/dbraw/zinc/73/62/39/1303736239.db2.gz BYWDILXKARYBTL-GQCTYLIASA-N -1 0 348.336 2.830 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000794942344 1303746800 /nfs/dbraw/zinc/74/68/00/1303746800.db2.gz MBATXDNFGYGWHC-ARJAWSKDSA-N -1 0 337.378 2.976 20 30 EFEDRM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000748480447 1313939683 /nfs/dbraw/zinc/93/96/83/1313939683.db2.gz BQXOOOXPWLOSMM-SECBINFHSA-N -1 0 346.289 2.726 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)ccc1F ZINC000121737342 1303892622 /nfs/dbraw/zinc/89/26/22/1303892622.db2.gz VIDQQSDEMGLJRC-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC000868464164 1304306060 /nfs/dbraw/zinc/30/60/60/1304306060.db2.gz HNIFZLCYFHCCNZ-ZDUSSCGKSA-N -1 0 327.153 2.716 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000122328166 1304521648 /nfs/dbraw/zinc/52/16/48/1304521648.db2.gz ZLBZULSRKHTBJD-UHFFFAOYSA-N -1 0 348.355 2.731 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)s1 ZINC000122354895 1304536733 /nfs/dbraw/zinc/53/67/33/1304536733.db2.gz YJNVJGUQOWLRLU-LBPRGKRZSA-N -1 0 337.445 2.520 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1 ZINC000122368158 1304567232 /nfs/dbraw/zinc/56/72/32/1304567232.db2.gz ACYDHWYKFOJRGU-UHFFFAOYSA-N -1 0 336.344 2.537 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c(F)c1 ZINC000122377990 1304574920 /nfs/dbraw/zinc/57/49/20/1304574920.db2.gz LBLYFYJQBVILCJ-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000122624640 1304819976 /nfs/dbraw/zinc/81/99/76/1304819976.db2.gz IQKWGBAOXYDDPP-CQSZACIVSA-N -1 0 325.368 2.803 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000122698058 1304899191 /nfs/dbraw/zinc/89/91/91/1304899191.db2.gz LNIBBRWGCLSAEK-AWEZNQCLSA-N -1 0 348.362 2.599 20 30 EFEDRM Cc1ccc(C(C)C)c(OCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122834158 1305026131 /nfs/dbraw/zinc/02/61/31/1305026131.db2.gz ZHMJFQAANHZYMM-HNNXBMFYSA-N -1 0 339.395 2.823 20 30 EFEDRM CC(C)c1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122877806 1305065621 /nfs/dbraw/zinc/06/56/21/1305065621.db2.gz FCFPDCWZHVEBHO-BBRMVZONSA-N -1 0 339.395 2.903 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(=O)OC)c1 ZINC000870134216 1305159999 /nfs/dbraw/zinc/15/99/99/1305159999.db2.gz KXHZWACBPBDJJO-INIZCTEOSA-N -1 0 344.411 2.801 20 30 EFEDRM COCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000870138591 1305162336 /nfs/dbraw/zinc/16/23/36/1305162336.db2.gz MYTJQHCZWQEQLQ-OAHLLOKOSA-N -1 0 332.375 2.743 20 30 EFEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)s2)cs1 ZINC000870141906 1305165101 /nfs/dbraw/zinc/16/51/01/1305165101.db2.gz DOOVYKQKRSSXGR-JTQLQIEISA-N -1 0 331.422 2.781 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1)c1ccccc1 ZINC000870310510 1305255514 /nfs/dbraw/zinc/25/55/14/1305255514.db2.gz ZFYIYROAOSMYFQ-KBPBESRZSA-N -1 0 346.337 2.868 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(CC)c1C)c1ccccc1 ZINC000870310404 1305255720 /nfs/dbraw/zinc/25/57/20/1305255720.db2.gz WZEGOXHZRGYHRI-WBVHZDCISA-N -1 0 338.411 2.801 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000123085733 1305290425 /nfs/dbraw/zinc/29/04/25/1305290425.db2.gz QXVNWXIHHFEOAW-CYBMUJFWSA-N -1 0 347.827 2.898 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000748674398 1314062792 /nfs/dbraw/zinc/06/27/92/1314062792.db2.gz SCGRGCDJPOWETE-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1 ZINC001241183728 1314100634 /nfs/dbraw/zinc/10/06/34/1314100634.db2.gz WQWIRVZEBRKDJY-SRZZPIQSSA-N -1 0 326.331 2.917 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241242734 1314103858 /nfs/dbraw/zinc/10/38/58/1314103858.db2.gz QDGJQHGBBNDUHI-UFWORHAWSA-N -1 0 334.303 2.685 20 30 EFEDRM CCCc1nc(C)c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000796538264 1306165905 /nfs/dbraw/zinc/16/59/05/1306165905.db2.gz VMDADTGTMBLAFZ-LLVKDONJSA-N -1 0 347.396 2.734 20 30 EFEDRM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1cccc(C(=O)[O-])c1 ZINC001241357679 1314112841 /nfs/dbraw/zinc/11/28/41/1314112841.db2.gz AUHXUZJXPNCYMQ-CYBMUJFWSA-N -1 0 347.330 2.775 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncccc2Cl)n1 ZINC000796565544 1306412370 /nfs/dbraw/zinc/41/23/70/1306412370.db2.gz HLSNIBOXPNBHGM-SECBINFHSA-N -1 0 335.772 2.533 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000796612303 1306776332 /nfs/dbraw/zinc/77/63/32/1306776332.db2.gz PHKZLZCLKJUKRC-UHFFFAOYSA-N -1 0 346.383 2.746 20 30 EFEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000796613047 1306800855 /nfs/dbraw/zinc/80/08/55/1306800855.db2.gz UGCJQFKQIPVOKJ-ZDUSSCGKSA-N -1 0 334.422 2.641 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)cc1Cl ZINC000796613845 1306831710 /nfs/dbraw/zinc/83/17/10/1306831710.db2.gz NVJIMZAXNKEYOY-UHFFFAOYSA-N -1 0 348.811 2.947 20 30 EFEDRM CCn1cc(-c2cncc(C(=O)[O-])c2)c2sc(C#N)cc2c1=O ZINC001241803169 1314152165 /nfs/dbraw/zinc/15/21/65/1314152165.db2.gz NTRDJBXUHPGMNP-UHFFFAOYSA-N -1 0 325.349 2.715 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241823899 1314154660 /nfs/dbraw/zinc/15/46/60/1314154660.db2.gz PRHVBAGGGZWFIJ-UFWORHAWSA-N -1 0 334.303 2.685 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c(C)cc1Cl ZINC000796625372 1306955000 /nfs/dbraw/zinc/95/50/00/1306955000.db2.gz HHRRIPSXAWEQSP-UHFFFAOYSA-N -1 0 348.811 2.947 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccc(F)cc2[O-])nc1 ZINC001242215518 1314193049 /nfs/dbraw/zinc/19/30/49/1314193049.db2.gz BGQFWYYHNRREPM-SILNSSARSA-N -1 0 328.372 2.979 20 30 EFEDRM C#C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260872646 1316374817 /nfs/dbraw/zinc/37/48/17/1316374817.db2.gz SNNGPLMZKJNYNT-SECBINFHSA-N -1 0 334.224 2.733 20 30 EFEDRM C#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)cc1 ZINC001242293673 1314196747 /nfs/dbraw/zinc/19/67/47/1314196747.db2.gz MEOPXUUREKZEMM-UHFFFAOYSA-N -1 0 335.388 2.926 20 30 EFEDRM N#Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cn1 ZINC001209593990 1314196775 /nfs/dbraw/zinc/19/67/75/1314196775.db2.gz NVKALWJRXURFOT-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM C#Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cc(C)on3)cn2)cc1 ZINC001242293957 1314196870 /nfs/dbraw/zinc/19/68/70/1314196870.db2.gz SCTOKDIYSRQFBN-UHFFFAOYSA-N -1 0 339.376 2.827 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cc(C(=O)[O-])ccc2OC)c1C#N ZINC001242387427 1314202698 /nfs/dbraw/zinc/20/26/98/1314202698.db2.gz MWTXLJZNAKHTDR-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cccc(F)c1[O-] ZINC001242349978 1314200524 /nfs/dbraw/zinc/20/05/24/1314200524.db2.gz BCFRGVCNPXJCPD-LLVKDONJSA-N -1 0 329.331 2.937 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1-c1nccc(C#N)c1C(OC)OC ZINC001242388834 1314203135 /nfs/dbraw/zinc/20/31/35/1314203135.db2.gz LFUMDCIZOBHYKL-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC000900346287 1308023769 /nfs/dbraw/zinc/02/37/69/1308023769.db2.gz FJJNVJUKVPIFPO-KRWDZBQOSA-N -1 0 343.427 2.973 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)C(=O)[O-] ZINC000900346312 1308023868 /nfs/dbraw/zinc/02/38/68/1308023868.db2.gz GFFCMTXXKNTWLI-SECBINFHSA-N -1 0 326.736 2.610 20 30 EFEDRM C[C@@H]1CC(=O)C=C(c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)C1 ZINC001242736188 1314230293 /nfs/dbraw/zinc/23/02/93/1314230293.db2.gz BAPBESLLHUHRAK-JTQLQIEISA-N -1 0 349.437 2.721 20 30 EFEDRM C[C@H]1CC(=O)C=C(c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)C1 ZINC001242736189 1314230338 /nfs/dbraw/zinc/23/03/38/1314230338.db2.gz BAPBESLLHUHRAK-SNVBAGLBSA-N -1 0 349.437 2.721 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccccc1C(=O)[O-] ZINC001242878142 1314241079 /nfs/dbraw/zinc/24/10/79/1314241079.db2.gz DACSUHCNLLDVAA-CYBMUJFWSA-N -1 0 339.351 2.791 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2cc(C(=O)[O-])c(C)[nH]2)c2ccccc21 ZINC000800806730 1308453515 /nfs/dbraw/zinc/45/35/15/1308453515.db2.gz GJBFQGHJIGCSQK-UHFFFAOYSA-N -1 0 338.367 2.601 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000800804878 1308453539 /nfs/dbraw/zinc/45/35/39/1308453539.db2.gz KZBBRSSKIBZZDE-UHFFFAOYSA-N -1 0 330.413 2.959 20 30 EFEDRM Cc1[nH]c(CN=Nc2ncnc3sc4c(c32)CCC4)cc1C(=O)[O-] ZINC000800806947 1308459021 /nfs/dbraw/zinc/45/90/21/1308459021.db2.gz OHMWFOWKJLPKOS-UHFFFAOYSA-N -1 0 341.396 2.961 20 30 EFEDRM O=C1Nc2cccc(C(F)(F)F)c2C1=N[N-]c1nc2ccccn2n1 ZINC000800816477 1308479404 /nfs/dbraw/zinc/47/94/04/1308479404.db2.gz LLRMRYDNCYLFKU-UHFFFAOYSA-N -1 0 346.272 2.516 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c(Cl)n1 ZINC000800833480 1308509917 /nfs/dbraw/zinc/50/99/17/1308509917.db2.gz AJJIXOSDGFPBTN-UHFFFAOYSA-N -1 0 337.788 2.747 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(OC)c(C(=O)[O-])c1 ZINC001209897490 1314255974 /nfs/dbraw/zinc/25/59/74/1314255974.db2.gz XQTXUODGBCZUGH-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM N#Cc1cncc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001210086623 1314279858 /nfs/dbraw/zinc/27/98/58/1314279858.db2.gz NVZVUWCVXUZYNY-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM COC(=O)c1ccc(Nc2cc(C(=O)[O-])ccc2OC)c(C#N)c1 ZINC001210261027 1314304101 /nfs/dbraw/zinc/30/41/01/1314304101.db2.gz SYSSTUHZHKDUIV-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM N#Cc1nc2[nH]ccc2cc1-c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001244033406 1314345488 /nfs/dbraw/zinc/34/54/88/1314345488.db2.gz AQRHHOQGBMDOCH-UHFFFAOYSA-N -1 0 334.335 2.856 20 30 EFEDRM N#Cc1cc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)nc(C2CC2)n1 ZINC001244031713 1314345703 /nfs/dbraw/zinc/34/57/03/1314345703.db2.gz TUONUTRBERQBID-UHFFFAOYSA-N -1 0 336.351 2.696 20 30 EFEDRM O=C([O-])c1cc(-c2ccc(C=NN[C@@H]3CCSC3)o2)ccc1O ZINC000901239268 1309947400 /nfs/dbraw/zinc/94/74/00/1309947400.db2.gz OVBDBPWZDWJXEF-LLVKDONJSA-N -1 0 332.381 2.779 20 30 EFEDRM N#Cc1ccccc1COC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000801377309 1310040666 /nfs/dbraw/zinc/04/06/66/1310040666.db2.gz VXYVKEXLAHBZIQ-UHFFFAOYSA-N -1 0 337.310 2.946 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCCC[C@H]1O ZINC000901334153 1310168207 /nfs/dbraw/zinc/16/82/07/1310168207.db2.gz HFEZWUVQEWTZAJ-BMGDILEWSA-N -1 0 348.443 2.740 20 30 EFEDRM COc1ccc(C=NNC2CCC(F)(F)CC2)c(OCC(=O)[O-])c1 ZINC000901344438 1310187649 /nfs/dbraw/zinc/18/76/49/1310187649.db2.gz CLPWMYODICUCGQ-UHFFFAOYSA-N -1 0 342.342 2.660 20 30 EFEDRM CN(C)Cc1cnc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)s1 ZINC000901515647 1310594259 /nfs/dbraw/zinc/59/42/59/1310594259.db2.gz OOVPTFUHSVYPEF-WEVVVXLNSA-N -1 0 332.381 2.708 20 30 EFEDRM Cn1nc(C(F)(F)F)cc1/C=C1/CCc2occ(C(=O)[O-])c2C1=O ZINC000901517334 1310595918 /nfs/dbraw/zinc/59/59/18/1310595918.db2.gz ZUUUYYWFVHUDKN-DAXSKMNVSA-N -1 0 340.257 2.943 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)cc1 ZINC000901562150 1310670339 /nfs/dbraw/zinc/67/03/39/1310670339.db2.gz WBLVKGITHIGIRF-VMPITWQZSA-N -1 0 326.352 2.579 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000901561515 1310670712 /nfs/dbraw/zinc/67/07/12/1310670712.db2.gz UCCBZEVIHDEHSO-ABZNLYFFSA-N -1 0 326.352 2.577 20 30 EFEDRM O=C([O-])CCOc1ccccc1/C=C\C(=O)c1cc2n(n1)CCCC2 ZINC000901562684 1310671567 /nfs/dbraw/zinc/67/15/67/1310671567.db2.gz DBKPNNMKPWENGA-HJWRWDBZSA-N -1 0 340.379 2.969 20 30 EFEDRM COc1cc(/C=C2/C(=O)c3nccn3[C@@H]2C)ccc1OCCC(=O)[O-] ZINC000901564006 1310673035 /nfs/dbraw/zinc/67/30/35/1310673035.db2.gz DANNVDPLMKNBPZ-VSXLWIIGSA-N -1 0 342.351 2.586 20 30 EFEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1ccc([O-])cc1Cl ZINC000901578368 1310691520 /nfs/dbraw/zinc/69/15/20/1310691520.db2.gz LRZJERGRZIDLIN-YIALFULDSA-N -1 0 333.775 2.712 20 30 EFEDRM C=CC[N@H+](CC(=O)[O-])Cc1cc(OC)ccc1OCc1ccccn1 ZINC000901587629 1310706728 /nfs/dbraw/zinc/70/67/28/1310706728.db2.gz XMSNRINBXNTBCA-UHFFFAOYSA-N -1 0 342.395 2.742 20 30 EFEDRM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccn1 ZINC001413382621 1310737627 /nfs/dbraw/zinc/73/76/27/1310737627.db2.gz SZOFWUFEHXPJRV-CYBMUJFWSA-N -1 0 337.351 2.661 20 30 EFEDRM N#CC1(c2ccc(-c3cc(C(=O)[O-])cnc3F)nc2)CCOCC1 ZINC001244758821 1314409313 /nfs/dbraw/zinc/40/93/13/1314409313.db2.gz TUZVFJAYCMWJCQ-UHFFFAOYSA-N -1 0 327.315 2.553 20 30 EFEDRM CCn1cc(-c2cnc(F)c(C(=O)[O-])c2)c2sc(C#N)cc2c1=O ZINC001244754989 1314408849 /nfs/dbraw/zinc/40/88/49/1314408849.db2.gz GWYNHQUUTIYKJD-UHFFFAOYSA-N -1 0 343.339 2.854 20 30 EFEDRM N#Cc1nc(-c2ccccc2)c(-c2cc(C(=O)[O-])cnc2F)nc1C#N ZINC001244759023 1314409158 /nfs/dbraw/zinc/40/91/58/1314409158.db2.gz LBERMPBMWKUFRG-UHFFFAOYSA-N -1 0 345.293 2.786 20 30 EFEDRM N#Cc1cnc([N-]c2nccs2)c(I)c1 ZINC001210989710 1314420458 /nfs/dbraw/zinc/42/04/58/1314420458.db2.gz PUCVASFBXKTOQW-UHFFFAOYSA-N -1 0 328.138 2.758 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c(F)c1 ZINC000901766902 1311019290 /nfs/dbraw/zinc/01/92/90/1311019290.db2.gz BNMBLXRFAPEWKR-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM CC[C@H](C)Oc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OC ZINC000749443426 1311029134 /nfs/dbraw/zinc/02/91/34/1311029134.db2.gz FVXBOAFIEIIPDO-JTQLQIEISA-N -1 0 331.376 2.518 20 30 EFEDRM C#C[C@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C(=O)OCC ZINC001222938437 1311200978 /nfs/dbraw/zinc/20/09/78/1311200978.db2.gz HJQHTCUQHRYMTQ-YXQUIRMVSA-N -1 0 331.702 2.692 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c(C2CCCC2)n1 ZINC000901928962 1311205409 /nfs/dbraw/zinc/20/54/09/1311205409.db2.gz AGHAIYCGQDOUNJ-UHFFFAOYSA-N -1 0 344.440 2.945 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c(C2CCCC2)n1 ZINC000901939679 1311218826 /nfs/dbraw/zinc/21/88/26/1311218826.db2.gz VIUBBJOKIGXFRL-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802039268 1311255298 /nfs/dbraw/zinc/25/52/98/1311255298.db2.gz AOKBBKATXQJMOP-CQSZACIVSA-N -1 0 347.415 2.588 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)cc1Cl ZINC000901982158 1311277165 /nfs/dbraw/zinc/27/71/65/1311277165.db2.gz WBRXDKUOPLCTIO-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1c(C)c(C)cc(C)c1C ZINC001223590907 1311279744 /nfs/dbraw/zinc/27/97/44/1311279744.db2.gz PBSQNVLLPZKFQN-INIZCTEOSA-N -1 0 342.457 2.896 20 30 EFEDRM C=C[C@@H]1O[C@@H](O/C(=N\O)c2ccc(Cl)cc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001223593808 1311280221 /nfs/dbraw/zinc/28/02/21/1311280221.db2.gz ONRMCIRYGLNFFG-DGNPIJCXSA-N -1 0 339.775 2.923 20 30 EFEDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223592568 1311280226 /nfs/dbraw/zinc/28/02/26/1311280226.db2.gz CIDHZTDUIONRSW-OZEFSGHTSA-N -1 0 338.751 2.994 20 30 EFEDRM CC1=C(O/C(=N\[O-])c2ccccc2Br)C(=O)[C@H](C)O1 ZINC001223884664 1311315110 /nfs/dbraw/zinc/31/51/10/1311315110.db2.gz OOMCXGXREYGHKH-HUZUMYGESA-N -1 0 326.146 2.821 20 30 EFEDRM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000780358451 1311364270 /nfs/dbraw/zinc/36/42/70/1311364270.db2.gz KBLZXNLCJKPLSA-NXEZZACHSA-N -1 0 328.821 2.699 20 30 EFEDRM C=CC[C@@H]1[C@H](OCC[P@@](=O)([O-])O)CCCN1C(=O)OC(C)(C)C ZINC001224601165 1311412598 /nfs/dbraw/zinc/41/25/98/1311412598.db2.gz FDDDREHPPKAZFN-CHWSQXEVSA-N -1 0 349.364 2.525 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1nc(Cl)ccc1C ZINC001158971887 1311427462 /nfs/dbraw/zinc/42/74/62/1311427462.db2.gz SOFPKHWXLTXQCS-UHFFFAOYSA-N -1 0 341.705 2.888 20 30 EFEDRM C[Si](C)(C)C#C[C@@H](OCCCS(=O)(=O)[O-])c1ccccc1 ZINC001224892941 1311447300 /nfs/dbraw/zinc/44/73/00/1311447300.db2.gz GHQHDJZQGMIKAD-OAHLLOKOSA-N -1 0 326.490 2.903 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000802213078 1311464488 /nfs/dbraw/zinc/46/44/88/1311464488.db2.gz NTVBBCRJEXIIHG-ZDUSSCGKSA-N -1 0 343.333 2.616 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000802213077 1311464908 /nfs/dbraw/zinc/46/49/08/1311464908.db2.gz NTVBBCRJEXIIHG-CYBMUJFWSA-N -1 0 343.333 2.616 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(Cl)cccc1Cl ZINC001225206996 1311489898 /nfs/dbraw/zinc/48/98/98/1311489898.db2.gz PDUBHQDTMYGJSK-SECBINFHSA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C(F)(F)F)c1 ZINC001225238088 1311493038 /nfs/dbraw/zinc/49/30/38/1311493038.db2.gz GBELDQMRRDVNBF-LBPRGKRZSA-N -1 0 340.319 2.543 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(Cl)cc(=O)[n-]1 ZINC001225561215 1311543464 /nfs/dbraw/zinc/54/34/64/1311543464.db2.gz ZURFJDSRAPNIEC-SNVBAGLBSA-N -1 0 341.795 2.780 20 30 EFEDRM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccccc1[S-] ZINC001225582951 1311548237 /nfs/dbraw/zinc/54/82/37/1311548237.db2.gz BEGMTEANGIRKCS-UHFFFAOYSA-N -1 0 336.409 2.961 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(OC(C)(C)C)cc1 ZINC001225974723 1311596497 /nfs/dbraw/zinc/59/64/97/1311596497.db2.gz ICMXVYOCMURDLG-HNNXBMFYSA-N -1 0 344.429 2.702 20 30 EFEDRM C=C[C@@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226016220 1311601339 /nfs/dbraw/zinc/60/13/39/1311601339.db2.gz WMNJBYDHLPENAB-LLVKDONJSA-N -1 0 345.311 2.573 20 30 EFEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226012567 1311601427 /nfs/dbraw/zinc/60/14/27/1311601427.db2.gz BETRPNQYEARTDD-ZETCQYMHSA-N -1 0 347.258 2.575 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226012628 1311601432 /nfs/dbraw/zinc/60/14/32/1311601432.db2.gz CHZIZMWJGRIARM-LLVKDONJSA-N -1 0 337.351 2.576 20 30 EFEDRM C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063552 1311608077 /nfs/dbraw/zinc/60/80/77/1311608077.db2.gz IMZADJCIRPRLAV-MRVPVSSYSA-N -1 0 330.262 2.564 20 30 EFEDRM Cc1nn(C)cc1[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226063901 1311608116 /nfs/dbraw/zinc/60/81/16/1311608116.db2.gz MCDLTWUCMRCDAE-QMMMGPOBSA-N -1 0 326.278 2.860 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(CC)cccc1CC ZINC001226177222 1311625128 /nfs/dbraw/zinc/62/51/28/1311625128.db2.gz LGELEQJHBTUMNG-HNNXBMFYSA-N -1 0 328.430 2.649 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226223766 1311633054 /nfs/dbraw/zinc/63/30/54/1311633054.db2.gz TXAXYUCZGFCZRG-LBPRGKRZSA-N -1 0 331.372 2.522 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1C#N ZINC001226222679 1311633247 /nfs/dbraw/zinc/63/32/47/1311633247.db2.gz GLDQSRVSFFOXBH-RISCZKNCSA-N -1 0 347.415 2.992 20 30 EFEDRM COC(=O)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1cccc(Cl)c1 ZINC001226223373 1311633401 /nfs/dbraw/zinc/63/34/01/1311633401.db2.gz PFQIQZQEITXBHA-AWEZNQCLSA-N -1 0 332.743 2.914 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc(/C=N/O)n1)C2 ZINC001226254423 1311638092 /nfs/dbraw/zinc/63/80/92/1311638092.db2.gz XQOPZKUIEWLJDZ-DFRUVDMBSA-N -1 0 348.403 2.594 20 30 EFEDRM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3nccc(=O)[n-]3)[C@@H]12 ZINC001226326133 1311649174 /nfs/dbraw/zinc/64/91/74/1311649174.db2.gz HHUQEAVBEOAHMT-QBWPOKONSA-N -1 0 342.395 2.938 20 30 EFEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(O)cc2S(=O)(=O)[O-])O1 ZINC001226413518 1311663639 /nfs/dbraw/zinc/66/36/39/1311663639.db2.gz RBLYDFRJDSZTDB-GDBMZVCRSA-N -1 0 342.413 2.920 20 30 EFEDRM CC[C@@H](C#Cc1ccccc1)Oc1ccc(O)cc1S(=O)(=O)[O-] ZINC001226416964 1311663763 /nfs/dbraw/zinc/66/37/63/1311663763.db2.gz PGOBLIUNIKCARW-HNNXBMFYSA-N -1 0 332.377 2.848 20 30 EFEDRM C=CC[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])c1ccccc1 ZINC001226649586 1311702151 /nfs/dbraw/zinc/70/21/51/1311702151.db2.gz LTLXXIXVKIYOBN-NSHDSACASA-N -1 0 345.311 2.573 20 30 EFEDRM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccccc21 ZINC001226978190 1311749185 /nfs/dbraw/zinc/74/91/85/1311749185.db2.gz YRHZURMNZXFCTO-AWEZNQCLSA-N -1 0 344.443 2.527 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(/C=C/C)cc1OC ZINC001227410404 1311804010 /nfs/dbraw/zinc/80/40/10/1311804010.db2.gz GBRXJLLBTKAKEO-YVARQFDVSA-N -1 0 342.413 2.566 20 30 EFEDRM C#CC[C@@H](C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495255 1311812425 /nfs/dbraw/zinc/81/24/25/1311812425.db2.gz NEHJWLOOCMUJKI-SECBINFHSA-N -1 0 326.370 2.598 20 30 EFEDRM C#C[C@@H](CCC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495190 1311812546 /nfs/dbraw/zinc/81/25/46/1311812546.db2.gz MVSBJYKYPPWIFE-JTQLQIEISA-N -1 0 340.397 2.988 20 30 EFEDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)[C@H](C)S)c1[O-] ZINC001227495854 1311812572 /nfs/dbraw/zinc/81/25/72/1311812572.db2.gz YNLFLMROFRZRHX-SFYZADRCSA-N -1 0 348.442 2.893 20 30 EFEDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H](C#N)c2ccccc2)c1[O-] ZINC001227620566 1311832022 /nfs/dbraw/zinc/83/20/22/1311832022.db2.gz LHFJZWFFUVPDAP-JTQLQIEISA-N -1 0 347.348 2.671 20 30 EFEDRM C#C[C@H]1CCC[C@H]1Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639104 1311835533 /nfs/dbraw/zinc/83/55/33/1311835533.db2.gz GGQIEXJCQRHSNT-MEDUHNTESA-N -1 0 332.377 2.973 20 30 EFEDRM N#C[C@H]1CC[C@@H](Oc2cc(S(=O)(=O)[O-])cc3ccc(O)cc32)C1 ZINC001227666541 1311836919 /nfs/dbraw/zinc/83/69/19/1311836919.db2.gz DRDLEWFJKPBDLO-GXFFZTMASA-N -1 0 333.365 2.863 20 30 EFEDRM C#C[C@@H]1CCC[C@H]1Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227671733 1311837175 /nfs/dbraw/zinc/83/71/75/1311837175.db2.gz SFBJVCOOELWSNU-BDJLRTHQSA-N -1 0 332.377 2.973 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccn2)cc1 ZINC001227906120 1311872547 /nfs/dbraw/zinc/87/25/47/1311872547.db2.gz GALUNTKDSNUHBI-MRXNPFEDSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(OCCCC)c1 ZINC001227944684 1311877175 /nfs/dbraw/zinc/87/71/75/1311877175.db2.gz FJNJOOUXJKEVOV-INIZCTEOSA-N -1 0 344.429 2.703 20 30 EFEDRM COC(=O)c1nnc(O[C@@H](C#C[Si](C)(C)C)c2ccccc2)[n-]1 ZINC001228308513 1311929308 /nfs/dbraw/zinc/92/93/08/1311929308.db2.gz JKIDDMPGTPVDRC-ZDUSSCGKSA-N -1 0 329.432 2.592 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]ncc(=O)c1Cl ZINC001228388419 1311940173 /nfs/dbraw/zinc/94/01/73/1311940173.db2.gz VPFRYBLETSMALG-LLVKDONJSA-N -1 0 341.795 2.780 20 30 EFEDRM CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001228426552 1311945999 /nfs/dbraw/zinc/94/59/99/1311945999.db2.gz MSUBUIOJLJQSKG-AWEZNQCLSA-N -1 0 347.411 2.894 20 30 EFEDRM N#C[C@@H](Oc1ccc(-n2nn[n-]c2=S)cc1)c1cccc(F)c1 ZINC001228440395 1311948337 /nfs/dbraw/zinc/94/83/37/1311948337.db2.gz HONZTLOYDCQJBV-CQSZACIVSA-N -1 0 327.344 2.734 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1[n-]c(=O)ccc1C#N)C2 ZINC001228899294 1312017148 /nfs/dbraw/zinc/01/71/48/1312017148.db2.gz UIVHVWGGUOJOKM-CYBMUJFWSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@H](c1ccccc1)N1C[C@H](COc2[n-]c(=O)ccc2C#N)OC1=O ZINC001228901665 1312017420 /nfs/dbraw/zinc/01/74/20/1312017420.db2.gz NKNAPVXIXGFVQX-IUODEOHRSA-N -1 0 339.351 2.620 20 30 EFEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228903279 1312017738 /nfs/dbraw/zinc/01/77/38/1312017738.db2.gz WNTITPFNIAFVBK-AAEUAGOBSA-N -1 0 333.388 2.683 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2ccc(C#N)cc2c1 ZINC001228967832 1312028760 /nfs/dbraw/zinc/02/87/60/1312028760.db2.gz CRUBVMMOYGGVEV-QGZVFWFLSA-N -1 0 347.392 2.549 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(/C=C/C)ccc1OC ZINC001229248361 1312067934 /nfs/dbraw/zinc/06/79/34/1312067934.db2.gz LZNSMMQUAMDBSX-YVZNUBBCSA-N -1 0 342.413 2.566 20 30 EFEDRM CCCCCCCC(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1 ZINC001229377676 1312086090 /nfs/dbraw/zinc/08/60/90/1312086090.db2.gz PYJBGZXJPKOMDY-INIZCTEOSA-N -1 0 336.384 2.971 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378374 1312086146 /nfs/dbraw/zinc/08/61/46/1312086146.db2.gz KRHNRXZYIIJTPN-LLVKDONJSA-N -1 0 349.730 2.512 20 30 EFEDRM Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000802892112 1312114530 /nfs/dbraw/zinc/11/45/30/1312114530.db2.gz ZORGMVGZPBYUEM-UHFFFAOYSA-N -1 0 348.156 2.688 20 30 EFEDRM CC[C@@H]1OC(C)=C(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)C1=O ZINC001229622847 1312121354 /nfs/dbraw/zinc/12/13/54/1312121354.db2.gz HAIYXVYVLRJHCG-QWHCGFSZSA-N -1 0 347.392 2.569 20 30 EFEDRM C#CC(C#C)Oc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1O ZINC001229749075 1312132492 /nfs/dbraw/zinc/13/24/92/1312132492.db2.gz QBGBTAKQXQAEIF-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(O)cccc1C(C)(C)C ZINC001230372832 1312231276 /nfs/dbraw/zinc/23/12/76/1312231276.db2.gz IGLXBNCBBXGNAK-GFCCVEGCSA-N -1 0 344.429 2.528 20 30 EFEDRM N#Cc1cccc(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000803054193 1312236417 /nfs/dbraw/zinc/23/64/17/1312236417.db2.gz MFVCDGWBAZBEAI-UHFFFAOYSA-N -1 0 348.811 2.514 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000903011835 1312282410 /nfs/dbraw/zinc/28/24/10/1312282410.db2.gz KFAFBYYCRYMVHT-HNNXBMFYSA-N -1 0 325.430 2.868 20 30 EFEDRM C[Si](C)(C)C#Cc1cc(Cl)cnc1N[C@H]1SC(=O)[N-]C1=O ZINC001163667360 1312358016 /nfs/dbraw/zinc/35/80/16/1312358016.db2.gz ZVYQWBPCCHWFEJ-LBPRGKRZSA-N -1 0 339.880 2.685 20 30 EFEDRM O=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1O[C@H]1C=CC(=O)C1 ZINC001231289154 1312471123 /nfs/dbraw/zinc/47/11/23/1312471123.db2.gz KHQHXNCMFFQQIY-JTQLQIEISA-N -1 0 333.321 2.761 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C#N ZINC000903223122 1312476040 /nfs/dbraw/zinc/47/60/40/1312476040.db2.gz VGWDXLQCWKCULQ-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM C#CCN1CCN(Cc2cc(Cl)c([O-])c(Br)c2)CC1 ZINC001231746921 1312558592 /nfs/dbraw/zinc/55/85/92/1312558592.db2.gz FMLFDKCLDKUNIH-UHFFFAOYSA-N -1 0 343.652 2.559 20 30 EFEDRM N#CC[C@@H]1CCCN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1 ZINC001165076060 1312563539 /nfs/dbraw/zinc/56/35/39/1312563539.db2.gz APJFICCOUUQJBC-QMMMGPOBSA-N -1 0 330.722 2.503 20 30 EFEDRM COc1c(Nc2ccc(NC(C)=O)c(C#N)c2)cccc1C(=O)[O-] ZINC001211037801 1314426942 /nfs/dbraw/zinc/42/69/42/1314426942.db2.gz PPKAFPQXGGFWEC-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM N#Cc1ccc(-n2[n-]c(-c3cncc(Br)c3)cc2=O)cn1 ZINC001245915561 1314548885 /nfs/dbraw/zinc/54/88/85/1314548885.db2.gz NFPSPFWTRKOMDV-UHFFFAOYSA-N -1 0 342.156 2.669 20 30 EFEDRM C#CCCc1cc(=O)n(-c2nc(Cl)ccc2Br)[n-]1 ZINC001245951194 1314554847 /nfs/dbraw/zinc/55/48/47/1314554847.db2.gz AEJURTPFGQTZEH-UHFFFAOYSA-N -1 0 326.581 2.955 20 30 EFEDRM C=CCOc1ccc(-c2noc(-c3cc(C(=O)OC)[n-]n3)n2)c(F)c1 ZINC001213463718 1314557777 /nfs/dbraw/zinc/55/77/77/1314557777.db2.gz NFGQOFLQGGAFLT-UHFFFAOYSA-N -1 0 344.302 2.617 20 30 EFEDRM N#Cc1cnccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001214015373 1314636293 /nfs/dbraw/zinc/63/62/93/1314636293.db2.gz NRXKYCNGWPEIPF-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Br)cs2)C(=O)O1 ZINC000119861876 1314725228 /nfs/dbraw/zinc/72/52/28/1314725228.db2.gz FTMLDOQJJCIYQQ-QAVQXKDTSA-N -1 0 341.182 2.739 20 30 EFEDRM CSc1nn(-c2cc(C(=O)[O-])c(Cl)cc2F)c(N)c1C#N ZINC001214739966 1314733545 /nfs/dbraw/zinc/73/35/45/1314733545.db2.gz IUQMVPNQQYJGJO-UHFFFAOYSA-N -1 0 326.740 2.539 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215270257 1314807242 /nfs/dbraw/zinc/80/72/42/1314807242.db2.gz RAIZOHKPFYEPEW-UHFFFAOYSA-N -1 0 331.282 2.732 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215459274 1314838457 /nfs/dbraw/zinc/83/84/57/1314838457.db2.gz FUFXSMRNMZOXSU-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(Cc3ccc(CC(=O)[O-])cc3)n2)c1 ZINC001248042642 1314883796 /nfs/dbraw/zinc/88/37/96/1314883796.db2.gz VLVOUXUHSDJLJE-UHFFFAOYSA-N -1 0 337.310 2.965 20 30 EFEDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc(Cl)c2C#N)cc1 ZINC001216127408 1314916942 /nfs/dbraw/zinc/91/69/42/1314916942.db2.gz OQUUMPYEKZIEIA-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])cc2Cl)nc1C#N ZINC001248551332 1314943329 /nfs/dbraw/zinc/94/33/29/1314943329.db2.gz NUFRCPYCDHGXAI-UHFFFAOYSA-N -1 0 334.122 2.969 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1ccc(C(=O)[O-])cc1Cl ZINC001248548888 1314943457 /nfs/dbraw/zinc/94/34/57/1314943457.db2.gz OANXATHHYXTLNN-UHFFFAOYSA-N -1 0 338.714 2.568 20 30 EFEDRM C=CCOc1ccc(-c2noc(C[N-]C(=O)C(F)(F)F)n2)c(F)c1 ZINC001248609860 1314947724 /nfs/dbraw/zinc/94/77/24/1314947724.db2.gz XUSCGLZDTUTTOG-UHFFFAOYSA-N -1 0 345.252 2.619 20 30 EFEDRM COc1ccc2c(c1)O/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000749132325 1314964931 /nfs/dbraw/zinc/96/49/31/1314964931.db2.gz LZJBGIDBXFPMRF-VIZOYTHASA-N -1 0 343.291 2.934 20 30 EFEDRM Cc1ncccc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502274 1315079496 /nfs/dbraw/zinc/07/94/96/1315079496.db2.gz JKKYGKZZMUQWFP-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM Cc1ccc(C#N)c(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c1 ZINC001249903490 1315153300 /nfs/dbraw/zinc/15/33/00/1315153300.db2.gz WAGJKLFJMXMRLM-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1c(F)ccc([O-])c1Cl ZINC001250230442 1315186853 /nfs/dbraw/zinc/18/68/53/1315186853.db2.gz YRBCRNNPEUYUHV-UHFFFAOYSA-N -1 0 328.694 2.714 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1[N-]S(=O)(=O)c1ccccc1 ZINC001251116901 1315323937 /nfs/dbraw/zinc/32/39/37/1315323937.db2.gz UUXQRQVMZANKPY-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#CC1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC001251429186 1315347544 /nfs/dbraw/zinc/34/75/44/1315347544.db2.gz KBCJGYXVJPVDLH-UHFFFAOYSA-N -1 0 335.212 2.671 20 30 EFEDRM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251438989 1315348691 /nfs/dbraw/zinc/34/86/91/1315348691.db2.gz JXBWKVFDAPKTGR-VIFPVBQESA-N -1 0 337.228 2.916 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)c(C)c1 ZINC001251460591 1315350125 /nfs/dbraw/zinc/35/01/25/1315350125.db2.gz OGGMTTCXXSBNOH-UHFFFAOYSA-N -1 0 340.408 2.859 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC001251531369 1315353651 /nfs/dbraw/zinc/35/36/51/1315353651.db2.gz FHGYDTNZFBQPFZ-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)cc1 ZINC001251834844 1315380975 /nfs/dbraw/zinc/38/09/75/1315380975.db2.gz XZEBLXGUATXPRW-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1 ZINC001251849138 1315381715 /nfs/dbraw/zinc/38/17/15/1315381715.db2.gz POLGMQMWRYKFCO-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)cn2C(C)(C)C)cc1 ZINC001251883916 1315384702 /nfs/dbraw/zinc/38/47/02/1315384702.db2.gz QCFAIQMRJORSPJ-UHFFFAOYSA-N -1 0 333.413 2.924 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1 ZINC001251934079 1315389983 /nfs/dbraw/zinc/38/99/83/1315389983.db2.gz NDKCCZOPLDAAFD-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc(C)no2)cc1 ZINC000193375818 1315406121 /nfs/dbraw/zinc/40/61/21/1315406121.db2.gz LDFJWLVFQOKARV-HNNXBMFYSA-N -1 0 340.383 2.674 20 30 EFEDRM C=CCOC[C@H](O)CNc1c(Cl)ccc(Br)c1O ZINC001252483531 1315456177 /nfs/dbraw/zinc/45/61/77/1315456177.db2.gz QBRNYUUXKBJPQN-MRVPVSSYSA-N -1 0 336.613 2.784 20 30 EFEDRM C=C[C@@](C)(O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001252564149 1315468501 /nfs/dbraw/zinc/46/85/01/1315468501.db2.gz CCCBBUHEIIWDBD-HXUWFJFHSA-N -1 0 339.391 2.894 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)C(=O)[O-] ZINC000316584754 1315469265 /nfs/dbraw/zinc/46/92/65/1315469265.db2.gz JYEZNGFFLNBEDN-VIFPVBQESA-N -1 0 328.752 2.508 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001253193962 1315578506 /nfs/dbraw/zinc/57/85/06/1315578506.db2.gz VKRIHIMEMYLFPB-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)CC(F)(F)F)c1Br ZINC001253193984 1315578869 /nfs/dbraw/zinc/57/88/69/1315578869.db2.gz VXEODVGKOHSYAQ-UHFFFAOYSA-N -1 0 343.124 2.625 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC001254032341 1315666915 /nfs/dbraw/zinc/66/69/15/1315666915.db2.gz LGOMNWIXJWRWCK-UHFFFAOYSA-N -1 0 344.392 2.708 20 30 EFEDRM CC(C)(Cl)c1cn(Cc2cccc(C(=O)CC(=O)C(=O)[O-])c2)nn1 ZINC001254081673 1315671562 /nfs/dbraw/zinc/67/15/62/1315671562.db2.gz PFEAOLRPUUXYSL-QPEQYQDCSA-N -1 0 349.774 2.510 20 30 EFEDRM O=C([O-])C(O)=CC(=O)c1cccc(Cn2cc(-c3ccccc3)nn2)c1 ZINC001254081234 1315671874 /nfs/dbraw/zinc/67/18/74/1315671874.db2.gz DJJHDGARRWWTFO-ZDLGFXPLSA-N -1 0 349.346 2.703 20 30 EFEDRM N#Cc1ccccc1-c1cn(-c2cc3ccc([O-])cc3oc2=O)nn1 ZINC001254163882 1315677125 /nfs/dbraw/zinc/67/71/25/1315677125.db2.gz HQXMVVOXFXUJEA-UHFFFAOYSA-N -1 0 330.303 2.618 20 30 EFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC001255279886 1315799489 /nfs/dbraw/zinc/79/94/89/1315799489.db2.gz CPHFHJCARGKIBM-INIZCTEOSA-N -1 0 340.404 2.723 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001255869352 1315874702 /nfs/dbraw/zinc/87/47/02/1315874702.db2.gz JITWFAVVYHTUHI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1ccccc1Cl ZINC001256247084 1315923214 /nfs/dbraw/zinc/92/32/14/1315923214.db2.gz YLMVNRYEYQWAFU-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C#N)cc1C#N ZINC001256402514 1315935677 /nfs/dbraw/zinc/93/56/77/1315935677.db2.gz XTGLDECUSYKMAU-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001256551008 1315956006 /nfs/dbraw/zinc/95/60/06/1315956006.db2.gz MDEOLQDILWUSJM-WPRPVWTQSA-N -1 0 332.183 2.906 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256715482 1315984755 /nfs/dbraw/zinc/98/47/55/1315984755.db2.gz YEHWSLSRXVGTLM-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC001258026605 1316113969 /nfs/dbraw/zinc/11/39/69/1316113969.db2.gz JWEWREYQZVGGNM-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1cccc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC001258044985 1316114930 /nfs/dbraw/zinc/11/49/30/1316114930.db2.gz CCVMEWHCAGGMPE-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2)cc1 ZINC001258045642 1316115218 /nfs/dbraw/zinc/11/52/18/1316115218.db2.gz SKTZANGOUKSLMV-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(Br)s2)cc1 ZINC001258045232 1316115301 /nfs/dbraw/zinc/11/53/01/1316115301.db2.gz GTXPYWSDJMFHCK-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(N3CCCCC3)c2)cc1 ZINC001258053745 1316115674 /nfs/dbraw/zinc/11/56/74/1316115674.db2.gz MUBCLUPUWYMWKM-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cnc1OC(C)C ZINC001258053707 1316115808 /nfs/dbraw/zinc/11/58/08/1316115808.db2.gz KUBGJEQYRUPRGO-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C#N ZINC001258053629 1316115813 /nfs/dbraw/zinc/11/58/13/1316115813.db2.gz IKBLRFPWZKNSJE-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM CC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258126175 1316122106 /nfs/dbraw/zinc/12/21/06/1316122106.db2.gz CKIPZRPZNCXCDY-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)cs1 ZINC001258196308 1316130656 /nfs/dbraw/zinc/13/06/56/1316130656.db2.gz GSWZSOJGHMVZOC-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccccc1C#N)CCC2 ZINC001258196394 1316130707 /nfs/dbraw/zinc/13/07/07/1316130707.db2.gz OERBQHXSQUIQLD-UHFFFAOYSA-N -1 0 329.406 2.781 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)cn1 ZINC001258196368 1316130826 /nfs/dbraw/zinc/13/08/26/1316130826.db2.gz LSEGBXUOVUFOKZ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258201491 1316131120 /nfs/dbraw/zinc/13/11/20/1316131120.db2.gz FAJWSSJBBGMTNT-UHFFFAOYSA-N -1 0 328.397 2.787 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cncc(C(F)(F)F)c1 ZINC001258201976 1316131147 /nfs/dbraw/zinc/13/11/47/1316131147.db2.gz SNPRIPNLZXXJLC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3ccccc3C#N)cnc2c1 ZINC001258208131 1316131501 /nfs/dbraw/zinc/13/15/01/1316131501.db2.gz IUNZATYYFUZCFG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCn1cc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc2n1 ZINC001258273946 1316135916 /nfs/dbraw/zinc/13/59/16/1316135916.db2.gz UVHAKADOUOKYEL-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM Cc1nn(C)c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc12 ZINC001258279316 1316136301 /nfs/dbraw/zinc/13/63/01/1316136301.db2.gz ZOHQMOKRNDGFLB-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001258426396 1316150104 /nfs/dbraw/zinc/15/01/04/1316150104.db2.gz SFZWVIYFKVCXDE-SECBINFHSA-N -1 0 338.820 2.810 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(Cl)c1C#N ZINC001258431716 1316150739 /nfs/dbraw/zinc/15/07/39/1316150739.db2.gz IODAQXCGFBPAGP-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)o1 ZINC001258833327 1316182864 /nfs/dbraw/zinc/18/28/64/1316182864.db2.gz NGOWQWGNPVQEJS-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258911852 1316191926 /nfs/dbraw/zinc/19/19/26/1316191926.db2.gz URGYXFGBYNTXFO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001258937760 1316194198 /nfs/dbraw/zinc/19/41/98/1316194198.db2.gz APESIRQFUHFRMM-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Cl)c1 ZINC001258942046 1316194665 /nfs/dbraw/zinc/19/46/65/1316194665.db2.gz LAHYSCIIUJWSMO-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947219 1316195383 /nfs/dbraw/zinc/19/53/83/1316195383.db2.gz UAKNBADRTXPYAP-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC001258949457 1316195966 /nfs/dbraw/zinc/19/59/66/1316195966.db2.gz CSPWEYKGRBOTMB-ZDUSSCGKSA-N -1 0 326.299 2.647 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C#N)c1C ZINC001259035124 1316200239 /nfs/dbraw/zinc/20/02/39/1316200239.db2.gz OALZHTNVEBSKMG-UHFFFAOYSA-N -1 0 330.287 2.986 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259035222 1316200263 /nfs/dbraw/zinc/20/02/63/1316200263.db2.gz UIVMEOWBAGAODC-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259041911 1316201397 /nfs/dbraw/zinc/20/13/97/1316201397.db2.gz YCSOIXNGPITGCW-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001259046608 1316202579 /nfs/dbraw/zinc/20/25/79/1316202579.db2.gz MOHINGKVLCAOSA-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2c(F)cccc2F)c1C#N ZINC001259063665 1316203418 /nfs/dbraw/zinc/20/34/18/1316203418.db2.gz MKVPMJIOMSRKPY-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1c(F)ccc([N-]S(=O)(=O)c2c(F)cccc2F)c1F ZINC001259068819 1316204049 /nfs/dbraw/zinc/20/40/49/1316204049.db2.gz SFLPVRNNCJINPS-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069421 1316204060 /nfs/dbraw/zinc/20/40/60/1316204060.db2.gz YGVBDQGHMREMOP-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069459 1316204067 /nfs/dbraw/zinc/20/40/67/1316204067.db2.gz AORAKCXCNFOBCO-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2csc(Br)n2)c1 ZINC001259118164 1316211854 /nfs/dbraw/zinc/21/18/54/1316211854.db2.gz GAPQJEYWLRQGTP-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc(C)n1 ZINC001259107584 1316210591 /nfs/dbraw/zinc/21/05/91/1316210591.db2.gz FSBMHMFHMGDELC-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC001259107731 1316210599 /nfs/dbraw/zinc/21/05/99/1316210599.db2.gz NYKDSDXOFCLRNO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2F)c(Cl)c1 ZINC001259107783 1316210652 /nfs/dbraw/zinc/21/06/52/1316210652.db2.gz QPCLXQVEPNQJEH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCOc1cncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259107730 1316210662 /nfs/dbraw/zinc/21/06/62/1316210662.db2.gz NYEOZZHAMVLEEF-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncncc3c2)c(Cl)c1 ZINC001259113189 1316211238 /nfs/dbraw/zinc/21/12/38/1316211238.db2.gz IYTSZIWSSAMHFH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(F)c(F)c(Cl)c2F)c1 ZINC001259118306 1316211574 /nfs/dbraw/zinc/21/15/74/1316211574.db2.gz DVSCAPVQJZKUEH-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259118514 1316211720 /nfs/dbraw/zinc/21/17/20/1316211720.db2.gz JESBIXAZXSRTGZ-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM Cc1cccc(-n2nccc2[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259118666 1316211866 /nfs/dbraw/zinc/21/18/66/1316211866.db2.gz NLSPWVMTPUSDMH-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CCOC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124452 1316212191 /nfs/dbraw/zinc/21/21/91/1316212191.db2.gz LPUKOEGSLCNSAF-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COc1cnc2c(cccc2[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259125881 1316212391 /nfs/dbraw/zinc/21/23/91/1316212391.db2.gz XXGRGLQHGYBSEG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CCC3)c1 ZINC001259125461 1316212404 /nfs/dbraw/zinc/21/24/04/1316212404.db2.gz CXABJHPDYJHTDI-UHFFFAOYSA-N -1 0 326.377 2.878 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1C#N ZINC001259206099 1316220028 /nfs/dbraw/zinc/22/00/28/1316220028.db2.gz XDMKMYWVYLIDJK-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccccn2)nc1 ZINC001259290037 1316225846 /nfs/dbraw/zinc/22/58/46/1316225846.db2.gz NTDHLMLOQXHRND-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C#N ZINC001259306808 1316228030 /nfs/dbraw/zinc/22/80/30/1316228030.db2.gz VGMCRZYFUBEGFY-UHFFFAOYSA-N -1 0 341.339 2.923 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259312503 1316229048 /nfs/dbraw/zinc/22/90/48/1316229048.db2.gz ONKVJGZATFXYCY-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc(F)c1F ZINC001259311922 1316229078 /nfs/dbraw/zinc/22/90/78/1316229078.db2.gz WSXMZEMIBTVMRH-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1C#N ZINC001259338907 1316231182 /nfs/dbraw/zinc/23/11/82/1316231182.db2.gz HSPYJEBRRGOQQA-UHFFFAOYSA-N -1 0 336.394 2.500 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259361500 1316233211 /nfs/dbraw/zinc/23/32/11/1316233211.db2.gz CQMWICAQQPZGIC-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259369826 1316234043 /nfs/dbraw/zinc/23/40/43/1316234043.db2.gz WGZPYVAAWOVGDN-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)s1 ZINC001259378015 1316235185 /nfs/dbraw/zinc/23/51/85/1316235185.db2.gz YZOFKBYLAVLMAH-UHFFFAOYSA-N -1 0 335.366 2.576 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C#N)c1 ZINC001259398123 1316237541 /nfs/dbraw/zinc/23/75/41/1316237541.db2.gz ZRGJLMTWWUJWEO-UHFFFAOYSA-N -1 0 340.389 2.840 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N ZINC001259401671 1316237893 /nfs/dbraw/zinc/23/78/93/1316237893.db2.gz YCQWFEJPTDNTPZ-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)ccc1F ZINC001259412314 1316239142 /nfs/dbraw/zinc/23/91/42/1316239142.db2.gz BCQCYQAWAXZHFX-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)ccc1F ZINC001259412574 1316239227 /nfs/dbraw/zinc/23/92/27/1316239227.db2.gz CVYNGFFIBVRHOO-UHFFFAOYSA-N -1 0 327.287 2.831 20 30 EFEDRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259413096 1316239624 /nfs/dbraw/zinc/23/96/24/1316239624.db2.gz RNYAEZYDVUIXSI-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C(C)=O)c1 ZINC001259419734 1316240450 /nfs/dbraw/zinc/24/04/50/1316240450.db2.gz QAXKFDHCMOYXFO-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259424876 1316242014 /nfs/dbraw/zinc/24/20/14/1316242014.db2.gz NELHPCHUCGKLFV-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1 ZINC001259430846 1316242444 /nfs/dbraw/zinc/24/24/44/1316242444.db2.gz HOSOFHLZCMPXOC-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259446096 1316244100 /nfs/dbraw/zinc/24/41/00/1316244100.db2.gz JOWQLHYTCXFSBO-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259453604 1316245061 /nfs/dbraw/zinc/24/50/61/1316245061.db2.gz XLZCZKGFHGRAMK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cnc1C#N ZINC001259453918 1316245358 /nfs/dbraw/zinc/24/53/58/1316245358.db2.gz OHBPJCYMZLKNCR-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259464609 1316246943 /nfs/dbraw/zinc/24/69/43/1316246943.db2.gz SKXHXCLSOCLWSN-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001259484921 1316249917 /nfs/dbraw/zinc/24/99/17/1316249917.db2.gz LHYSMUCJYBXFKE-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC001259502064 1316252845 /nfs/dbraw/zinc/25/28/45/1316252845.db2.gz FVIUTPIYFVCJKA-UHFFFAOYSA-N -1 0 343.195 2.580 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C#N ZINC001259506014 1316253102 /nfs/dbraw/zinc/25/31/02/1316253102.db2.gz UMVZLSBOIPFXMZ-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cnc1C#N ZINC001259506701 1316253392 /nfs/dbraw/zinc/25/33/92/1316253392.db2.gz DWDOOUBJBZIMHJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259514414 1316254858 /nfs/dbraw/zinc/25/48/58/1316254858.db2.gz LMVNLEGCDVHYLZ-XQRVVYSFSA-N -1 0 345.701 2.793 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)CC2CCCCC2)cc1OC ZINC001259618866 1316263105 /nfs/dbraw/zinc/26/31/05/1316263105.db2.gz ZDKLYORMDMGKSM-UHFFFAOYSA-N -1 0 338.429 2.897 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1C#N ZINC001259638104 1316265641 /nfs/dbraw/zinc/26/56/41/1316265641.db2.gz NOWNBRBFQAGNPV-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM COc1ccc(OCCCS(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC001259647249 1316266766 /nfs/dbraw/zinc/26/67/66/1316266766.db2.gz IKSAGWWUBCRCCI-UHFFFAOYSA-N -1 0 346.408 2.778 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC001259749935 1316272323 /nfs/dbraw/zinc/27/23/23/1316272323.db2.gz YPVABFOHHJUKAP-UHFFFAOYSA-N -1 0 334.372 2.956 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259760853 1316273951 /nfs/dbraw/zinc/27/39/51/1316273951.db2.gz CJAWHJHINJNQKV-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259773325 1316276052 /nfs/dbraw/zinc/27/60/52/1316276052.db2.gz MVPANDRUJIQMKF-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(C#N)c1 ZINC001259773271 1316276225 /nfs/dbraw/zinc/27/62/25/1316276225.db2.gz DXMDLCVNKYQUAO-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774185 1316276639 /nfs/dbraw/zinc/27/66/39/1316276639.db2.gz JKIKAQRROPGBIS-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774641 1316276647 /nfs/dbraw/zinc/27/66/47/1316276647.db2.gz HRFKHSLSDVHTSC-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cn1 ZINC001259838029 1316285330 /nfs/dbraw/zinc/28/53/30/1316285330.db2.gz SDQCKKFZONWWOH-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259855078 1316287661 /nfs/dbraw/zinc/28/76/61/1316287661.db2.gz AXNABTGONQZEIB-UHFFFAOYSA-N -1 0 330.413 2.625 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(O)cc1F ZINC001259861387 1316288145 /nfs/dbraw/zinc/28/81/45/1316288145.db2.gz IEGRECDWXSDCGS-UHFFFAOYSA-N -1 0 332.356 2.692 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC001259861110 1316288343 /nfs/dbraw/zinc/28/83/43/1316288343.db2.gz NGYIJHNCHZVNSB-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1 ZINC001259901975 1316295479 /nfs/dbraw/zinc/29/54/79/1316295479.db2.gz SLDQCDABJKXTBR-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1 ZINC001259901905 1316295499 /nfs/dbraw/zinc/29/54/99/1316295499.db2.gz QBWWHMIECODKQP-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001259922588 1316298024 /nfs/dbraw/zinc/29/80/24/1316298024.db2.gz NRLXNSHLNXSRBH-JTQLQIEISA-N -1 0 343.470 2.977 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)cnc1C#N ZINC001259989335 1316304013 /nfs/dbraw/zinc/30/40/13/1316304013.db2.gz QLTXWUPHBTTZHL-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260005652 1316305407 /nfs/dbraw/zinc/30/54/07/1316305407.db2.gz KIYACSOXQHMGEF-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC001260028037 1316309224 /nfs/dbraw/zinc/30/92/24/1316309224.db2.gz UVIQIKUKSQWUPW-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](C2CCC2)C(F)(F)F)cc1 ZINC001260046399 1316310836 /nfs/dbraw/zinc/31/08/36/1316310836.db2.gz NSHTZFOPWCMACP-ZDUSSCGKSA-N -1 0 332.347 2.709 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044189 1316310742 /nfs/dbraw/zinc/31/07/42/1316310742.db2.gz HGXKMJDXLLZXGO-UHFFFAOYSA-N -1 0 344.392 2.711 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)cc1 ZINC001260048198 1316311524 /nfs/dbraw/zinc/31/15/24/1316311524.db2.gz QKHFYZGMBDRQTH-UHFFFAOYSA-N -1 0 332.347 2.853 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2sccc2C)cc1OC ZINC001260068113 1316312742 /nfs/dbraw/zinc/31/27/42/1316312742.db2.gz IPMUQTWAUNLNGJ-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)cc(CC)c1C#N ZINC001260111081 1316316861 /nfs/dbraw/zinc/31/68/61/1316316861.db2.gz FYGGZTAWHIPEEB-UHFFFAOYSA-N -1 0 346.456 2.834 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001260129019 1316317778 /nfs/dbraw/zinc/31/77/78/1316317778.db2.gz JEGHAQJHNXFRHM-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC001260129105 1316317784 /nfs/dbraw/zinc/31/77/84/1316317784.db2.gz MRBGPDTYBNOZRI-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C#N ZINC001260192349 1316321742 /nfs/dbraw/zinc/32/17/42/1316321742.db2.gz KAADLPAEEMJKKD-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190451 1316321859 /nfs/dbraw/zinc/32/18/59/1316321859.db2.gz MAACTHXRMOOETC-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260203851 1316323526 /nfs/dbraw/zinc/32/35/26/1316323526.db2.gz VTBVJWOUKSZAMA-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1 ZINC001260240507 1316325771 /nfs/dbraw/zinc/32/57/71/1316325771.db2.gz WRBQFOFRRHHMDM-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1 ZINC001260239688 1316325799 /nfs/dbraw/zinc/32/57/99/1316325799.db2.gz IRUIHAKMDPONFP-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N ZINC001260298504 1316330133 /nfs/dbraw/zinc/33/01/33/1316330133.db2.gz MUDTVBARSWRSNU-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC001260298755 1316330299 /nfs/dbraw/zinc/33/02/99/1316330299.db2.gz QCZPTEKGRIMMBS-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260349459 1316333623 /nfs/dbraw/zinc/33/36/23/1316333623.db2.gz RZYCZHDGGQJSKV-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC001260366632 1316335163 /nfs/dbraw/zinc/33/51/63/1316335163.db2.gz CITHPLRAKNQBBM-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260387819 1316336490 /nfs/dbraw/zinc/33/64/90/1316336490.db2.gz VERFJMVWRSCEBI-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260388070 1316336524 /nfs/dbraw/zinc/33/65/24/1316336524.db2.gz PDOZLPYUWBPDGY-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC001260405691 1316337535 /nfs/dbraw/zinc/33/75/35/1316337535.db2.gz PPYLLDSYULGIJD-OAHLLOKOSA-N -1 0 347.392 2.686 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 ZINC001260447457 1316339536 /nfs/dbraw/zinc/33/95/36/1316339536.db2.gz CACLESDUZBMESX-UHFFFAOYSA-N -1 0 332.362 2.527 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C#N)c1 ZINC001260451705 1316339959 /nfs/dbraw/zinc/33/99/59/1316339959.db2.gz UXXHWGARTRDZQY-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)c1 ZINC001260526297 1316343335 /nfs/dbraw/zinc/34/33/35/1316343335.db2.gz QMYDTDCTUDBHGB-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260527615 1316343431 /nfs/dbraw/zinc/34/34/31/1316343431.db2.gz VIRZQRJDLOXOAY-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2C#N)cn1C ZINC001260548891 1316345519 /nfs/dbraw/zinc/34/55/19/1316345519.db2.gz OVLVXIIFCGCNEG-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC001260638188 1316352070 /nfs/dbraw/zinc/35/20/70/1316352070.db2.gz SZTBGSBTLWXNPY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1C ZINC001260638665 1316352198 /nfs/dbraw/zinc/35/21/98/1316352198.db2.gz WLMUEPRLLRMXNA-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001260644628 1316353629 /nfs/dbraw/zinc/35/36/29/1316353629.db2.gz NKAZTTSMPSYVSR-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC[C@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001260726207 1316362928 /nfs/dbraw/zinc/36/29/28/1316362928.db2.gz MDGOJCHENVSXLQ-JTQLQIEISA-N -1 0 338.820 2.938 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1C ZINC001260765408 1316366258 /nfs/dbraw/zinc/36/62/58/1316366258.db2.gz KLLUHLHKTMKMTD-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)c1 ZINC001260813121 1316370739 /nfs/dbraw/zinc/37/07/39/1316370739.db2.gz YDMGXTGBRKZQPV-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC001260811339 1316370946 /nfs/dbraw/zinc/37/09/46/1316370946.db2.gz MTBQKAOLXZGFDZ-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001260890227 1316375610 /nfs/dbraw/zinc/37/56/10/1316375610.db2.gz DNJMHWCSILDWKC-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2C)cc1Cl ZINC001260968398 1316378530 /nfs/dbraw/zinc/37/85/30/1316378530.db2.gz SWJCDDUPRQBYQL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2C#N)cc1Cl ZINC001260967647 1316378603 /nfs/dbraw/zinc/37/86/03/1316378603.db2.gz AWEUNBWORJTYEL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1C ZINC001260990801 1316381830 /nfs/dbraw/zinc/38/18/30/1316381830.db2.gz BSRVSUXYMBDCGU-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001261014709 1316384721 /nfs/dbraw/zinc/38/47/21/1316384721.db2.gz RAKFVOYQHKGZHV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cs1 ZINC001261067367 1316387719 /nfs/dbraw/zinc/38/77/19/1316387719.db2.gz SOOWCXGODMOGIU-UHFFFAOYSA-N -1 0 340.773 2.610 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC001261076640 1316388148 /nfs/dbraw/zinc/38/81/48/1316388148.db2.gz OYGQHXDFYCAZDB-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001261292127 1316402567 /nfs/dbraw/zinc/40/25/67/1316402567.db2.gz VAPNMDJBWQLYDR-CABZTGNLSA-N -1 0 328.315 2.678 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263323635 1316530502 /nfs/dbraw/zinc/53/05/02/1316530502.db2.gz VOMPYHARRIMWKG-QWRGUYRKSA-N -1 0 335.433 2.545 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C[C@H](C)CC ZINC001263344536 1316534727 /nfs/dbraw/zinc/53/47/27/1316534727.db2.gz JHEOFAMGBXJJPP-CYBMUJFWSA-N -1 0 332.452 2.926 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1Cc1ccco1 ZINC001263374817 1316538951 /nfs/dbraw/zinc/53/89/51/1316538951.db2.gz WJZCBUAEPYRNGU-KRWDZBQOSA-N -1 0 339.395 2.691 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2cccc(F)n2)nn1-c1ccc(F)cc1 ZINC001263378479 1316539682 /nfs/dbraw/zinc/53/96/82/1316539682.db2.gz HUALNLVGLWEGKW-ZDUSSCGKSA-N -1 0 339.305 2.739 20 30 EFEDRM CC(C)CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001263771842 1316560762 /nfs/dbraw/zinc/56/07/62/1316560762.db2.gz UGZOICXYBWKMGM-HNNXBMFYSA-N -1 0 329.400 2.630 20 30 EFEDRM Cc1ccc(NN=Cc2c(Br)cc(C(=O)[O-])n2C)nc1 ZINC001318640416 1328658659 /nfs/dbraw/zinc/65/86/59/1328658659.db2.gz GMLVOAMBUYULRG-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NNC(=S)NCc1cccnc1 ZINC001319690760 1328951159 /nfs/dbraw/zinc/95/11/59/1328951159.db2.gz GKCDHZOHVQCQJG-UHFFFAOYSA-N -1 0 338.795 2.578 20 30 EFEDRM Cc1c(S(=O)(=O)[N-]c2n[nH]cc2C#N)sc2cccc(F)c12 ZINC001319777251 1328986141 /nfs/dbraw/zinc/98/61/41/1328986141.db2.gz BMSBFEUPBFJONH-UHFFFAOYSA-N -1 0 336.373 2.744 20 30 EFEDRM CC(C)(C)c1ccc(C2(C(=O)[N-]S(=O)(=O)CCCC#N)CC2)cc1 ZINC001319831858 1329007296 /nfs/dbraw/zinc/00/72/96/1329007296.db2.gz MGBCBMFSODWGGI-UHFFFAOYSA-N -1 0 348.468 2.765 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1c(C)n(C2CC2)c2ccc(OC)cc21 ZINC001320011598 1329055859 /nfs/dbraw/zinc/05/58/59/1329055859.db2.gz ZQNQWTSLPIDWFR-UHFFFAOYSA-N -1 0 348.424 2.539 20 30 EFEDRM C=C[C@@H](COC)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001320447015 1329133090 /nfs/dbraw/zinc/13/30/90/1329133090.db2.gz HYFWNJHAYQOHRY-QMMMGPOBSA-N -1 0 334.597 2.739 20 30 EFEDRM O=C([N-]Cc1cccc(OCC(F)(F)F)n1)C(F)(F)C(F)F ZINC001320927171 1329320544 /nfs/dbraw/zinc/32/05/44/1329320544.db2.gz YCSBWFGNQUNELL-UHFFFAOYSA-N -1 0 334.191 2.539 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)C(=O)[O-] ZINC001321112644 1329344281 /nfs/dbraw/zinc/34/42/81/1329344281.db2.gz XQHQFYQVVVGMJY-HNNXBMFYSA-N -1 0 348.399 2.704 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC001321112737 1329344519 /nfs/dbraw/zinc/34/45/19/1329344519.db2.gz ZMENFBLFPDCTEQ-CMPLNLGQSA-N -1 0 336.392 2.507 20 30 EFEDRM C=CC[C@@H](NC(=O)c1csc(Cc2ccccc2F)n1)C(=O)[O-] ZINC001321206746 1329356716 /nfs/dbraw/zinc/35/67/16/1329356716.db2.gz QVVNHVQNTUEWKR-GFCCVEGCSA-N -1 0 334.372 2.632 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(C)c1)C(=O)[O-] ZINC001321276538 1329366624 /nfs/dbraw/zinc/36/66/24/1329366624.db2.gz JBGQSQVRTZPJHG-CQSZACIVSA-N -1 0 349.456 2.699 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001321342183 1329375362 /nfs/dbraw/zinc/37/53/62/1329375362.db2.gz XTUZTTKMCXXGER-CQSZACIVSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCOc1ccc(Cl)cc1C)C(=O)[O-] ZINC001321584111 1329396778 /nfs/dbraw/zinc/39/67/78/1329396778.db2.gz XEDYAXMWDCJIOO-CYBMUJFWSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001322512935 1329464060 /nfs/dbraw/zinc/46/40/60/1329464060.db2.gz CGOLKEIVRWLTBY-SNVBAGLBSA-N -1 0 348.733 2.770 20 30 EFEDRM C=CC[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)C(=O)[O-] ZINC001322601612 1329471173 /nfs/dbraw/zinc/47/11/73/1329471173.db2.gz NHLBWVFSVCSKJV-NSHDSACASA-N -1 0 332.381 2.578 20 30 EFEDRM C=CC[C@H](NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC001322600179 1329471177 /nfs/dbraw/zinc/47/11/77/1329471177.db2.gz DOHLAPMIXDIKQP-HNNXBMFYSA-N -1 0 341.411 2.929 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001322603348 1329471445 /nfs/dbraw/zinc/47/14/45/1329471445.db2.gz ZZTZNKRUAHDISH-KRWDZBQOSA-N -1 0 342.395 2.862 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001322603351 1329471503 /nfs/dbraw/zinc/47/15/03/1329471503.db2.gz ZZTZNKRUAHDISH-QGZVFWFLSA-N -1 0 342.395 2.862 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(OC(F)F)cc1OC(F)F)C(=O)[O-] ZINC001324099682 1329599983 /nfs/dbraw/zinc/59/99/83/1329599983.db2.gz AUDJQKUYKUMBAB-SECBINFHSA-N -1 0 338.257 2.676 20 30 EFEDRM C=CC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001324623964 1329645842 /nfs/dbraw/zinc/64/58/42/1329645842.db2.gz FBYARPQCSNYQGT-LLVKDONJSA-N -1 0 328.752 2.551 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001325066132 1329668747 /nfs/dbraw/zinc/66/87/47/1329668747.db2.gz QYEHVLWQXYXAPH-QWHCGFSZSA-N -1 0 338.791 2.882 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCCOc1ccc(Cl)cc1)C(=O)[O-] ZINC001325066017 1329668786 /nfs/dbraw/zinc/66/87/86/1329668786.db2.gz QMDGHKPACSLLSU-CQSZACIVSA-N -1 0 340.807 2.828 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001325066135 1329668884 /nfs/dbraw/zinc/66/88/84/1329668884.db2.gz QYEHVLWQXYXAPH-STQMWFEESA-N -1 0 338.791 2.882 20 30 EFEDRM C=CC[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001325142692 1329673116 /nfs/dbraw/zinc/67/31/16/1329673116.db2.gz HARXJRONWTVNSL-CQSZACIVSA-N -1 0 346.408 2.720 20 30 EFEDRM C=CC[C@H](NC(=O)c1sc2cccc(F)c2c1COC)C(=O)[O-] ZINC001325144594 1329673233 /nfs/dbraw/zinc/67/32/33/1329673233.db2.gz RXVOQQXOFUYYLX-NSHDSACASA-N -1 0 337.372 2.946 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)C(=O)[O-] ZINC001325379742 1329683918 /nfs/dbraw/zinc/68/39/18/1329683918.db2.gz NGYFMJGYMBVRMR-INIZCTEOSA-N -1 0 345.439 2.788 20 30 EFEDRM Nc1cnnc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)c1Cl ZINC001325940845 1329726593 /nfs/dbraw/zinc/72/65/93/1329726593.db2.gz UJXVBVBVSKFVES-UHFFFAOYSA-N -1 0 345.790 2.953 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(OC)cc1OCCC(C)C)C(=O)[O-] ZINC001326502123 1330306238 /nfs/dbraw/zinc/30/62/38/1330306238.db2.gz KXLAZUWTXLOKKU-HNNXBMFYSA-N -1 0 335.400 2.879 20 30 EFEDRM CC(C)(C)OC(=O)N1CC=C(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC001326509038 1330307625 /nfs/dbraw/zinc/30/76/25/1330307625.db2.gz YXFKBUZPRPXZSA-UHFFFAOYSA-N -1 0 343.383 2.770 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(Br)cc1C)C(=O)[O-] ZINC001326930094 1330386084 /nfs/dbraw/zinc/38/60/84/1330386084.db2.gz IVAWXZIXZHTFQD-GFCCVEGCSA-N -1 0 341.205 2.586 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)C(=O)[O-] ZINC001327014555 1330400007 /nfs/dbraw/zinc/40/00/07/1330400007.db2.gz YPAHYEJHNKDHIG-AWEZNQCLSA-N -1 0 337.803 2.534 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001327560769 1330497606 /nfs/dbraw/zinc/49/76/06/1330497606.db2.gz ZCYNAYDMAOALIG-SNVBAGLBSA-N -1 0 329.368 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001327560766 1330497616 /nfs/dbraw/zinc/49/76/16/1330497616.db2.gz ZCYNAYDMAOALIG-JTQLQIEISA-N -1 0 329.368 2.623 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC001328479215 1330595578 /nfs/dbraw/zinc/59/55/78/1330595578.db2.gz UNZIXLDNLIFIMF-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM Cc1ccc([C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001331420640 1330834971 /nfs/dbraw/zinc/83/49/71/1330834971.db2.gz ZQUADEREUREALW-NSHDSACASA-N -1 0 345.380 2.703 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@](C)(OC)c1ccccc1 ZINC001331922288 1330891292 /nfs/dbraw/zinc/89/12/92/1330891292.db2.gz QZOQOTLQNPEOJZ-KRWDZBQOSA-N -1 0 339.457 2.597 20 30 EFEDRM CC#CC[C@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC001332032078 1330907336 /nfs/dbraw/zinc/90/73/36/1330907336.db2.gz HYRSULBXTCENAR-INIZCTEOSA-N -1 0 344.436 2.987 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCCc2ccccc2)CCC1 ZINC001332577982 1330986777 /nfs/dbraw/zinc/98/67/77/1330986777.db2.gz BOPUTRUAWNMNOL-UHFFFAOYSA-N -1 0 334.441 2.539 20 30 EFEDRM COc1nc(Cl)c(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)n1C ZINC001333120953 1331081418 /nfs/dbraw/zinc/08/14/18/1331081418.db2.gz IMLZQFFIGCEYHK-FNORWQNLSA-N -1 0 336.731 2.586 20 30 EFEDRM [O-]c1c(Br)cc(Cl)cc1C=NN1CCC[C@H]1CO ZINC001333643239 1331185782 /nfs/dbraw/zinc/18/57/82/1331185782.db2.gz NIDGEQZZISGKGW-JTQLQIEISA-N -1 0 333.613 2.599 20 30 EFEDRM CC#CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001334853654 1331318054 /nfs/dbraw/zinc/31/80/54/1331318054.db2.gz UKIAKOMDCGMTIW-LLVKDONJSA-N -1 0 346.608 2.764 20 30 EFEDRM C#C[C@H](C)N(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001337955137 1331621516 /nfs/dbraw/zinc/62/15/16/1331621516.db2.gz GBULSBBWQWXVMJ-QMMMGPOBSA-N -1 0 325.199 2.952 20 30 EFEDRM COc1cc(F)cc(F)c1S(=O)(=O)N[C@](C)(C#N)C(C)(C)C ZINC001338037372 1331639281 /nfs/dbraw/zinc/63/92/81/1331639281.db2.gz LZRDEOURAXVFSA-CQSZACIVSA-N -1 0 332.372 2.580 20 30 EFEDRM C[C@@H]1c2ccccc2CCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001338206650 1331672300 /nfs/dbraw/zinc/67/23/00/1331672300.db2.gz VAFFGBFBNZUCSD-GFCCVEGCSA-N -1 0 346.394 2.578 20 30 EFEDRM C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001338963765 1331762193 /nfs/dbraw/zinc/76/21/93/1331762193.db2.gz PZRPBXWOBZSELJ-UHFFFAOYSA-N -1 0 340.431 2.809 20 30 EFEDRM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]n(CC)c2=O)n1CC ZINC001339831616 1332105813 /nfs/dbraw/zinc/10/58/13/1332105813.db2.gz NKUAAFKSLOWTGY-ZDUSSCGKSA-N -1 0 330.436 2.822 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)c(CC)c1 ZINC001341802994 1332285426 /nfs/dbraw/zinc/28/54/26/1332285426.db2.gz PRVPCFVMAILIHS-QGZVFWFLSA-N -1 0 330.428 2.677 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nn1C(C)C ZINC001341821780 1332286364 /nfs/dbraw/zinc/28/63/64/1332286364.db2.gz WLYCNCHHTHIZRB-ZDUSSCGKSA-N -1 0 334.383 2.788 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc2cc(Cl)ccc21 ZINC001341919108 1332288687 /nfs/dbraw/zinc/28/86/87/1332288687.db2.gz QXPRKJUTYIZKDN-AWEZNQCLSA-N -1 0 327.771 2.833 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(CC)CC1 ZINC001342025712 1332295986 /nfs/dbraw/zinc/29/59/86/1332295986.db2.gz HLZPMZNULKZLFI-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nccn3C)cc2s1 ZINC001342167029 1332312760 /nfs/dbraw/zinc/31/27/60/1332312760.db2.gz SKSOLJTZEZMXPW-MRVPVSSYSA-N -1 0 331.426 2.647 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC(C)CC1 ZINC001343007658 1332338930 /nfs/dbraw/zinc/33/89/30/1332338930.db2.gz QTVHRKLWTPDDMH-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(C3CCC3)n2)c1 ZINC001343376989 1332347168 /nfs/dbraw/zinc/34/71/68/1332347168.db2.gz JATSYVKCKZMZSQ-CQSZACIVSA-N -1 0 339.351 2.912 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@H](C)C1 ZINC001343599000 1332361443 /nfs/dbraw/zinc/36/14/43/1332361443.db2.gz IROIGXKZCQUSAF-CYBMUJFWSA-N -1 0 338.415 2.730 20 30 EFEDRM C[C@H](Sc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC001343618311 1332362976 /nfs/dbraw/zinc/36/29/76/1332362976.db2.gz PMWVVIPDIGTFKS-GWCFXTLKSA-N -1 0 331.372 2.632 20 30 EFEDRM C[C@@H](Sc1ccccc1C([O-])=C(C#N)c1cccc(F)n1)C(N)=O ZINC001344035903 1332398805 /nfs/dbraw/zinc/39/88/05/1332398805.db2.gz PQHHUDGACFZQHC-ZYHUDNBSSA-N -1 0 343.383 2.677 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccccc1OCc1c(C)noc1C)C(=O)[O-] ZINC001344556485 1332463511 /nfs/dbraw/zinc/46/35/11/1332463511.db2.gz OKGWVRWCDPKEAU-HNNXBMFYSA-N -1 0 344.367 2.630 20 30 EFEDRM C=CCN(c1nnc(-c2c[n-]n(CC)c2=O)n1CC(C)C)C1CC1 ZINC001344835345 1332486495 /nfs/dbraw/zinc/48/64/95/1332486495.db2.gz MLBSZYOTCBCCNR-UHFFFAOYSA-N -1 0 330.436 2.678 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccccc1 ZINC001346065703 1332596316 /nfs/dbraw/zinc/59/63/16/1332596316.db2.gz WDCPFNYDLDGRPH-HNNXBMFYSA-N -1 0 347.378 2.778 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccccc1 ZINC001346065704 1332596342 /nfs/dbraw/zinc/59/63/42/1332596342.db2.gz WDCPFNYDLDGRPH-OAHLLOKOSA-N -1 0 347.378 2.778 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2nccn2CC)nnn1Cc1ccccc1 ZINC001346097143 1332599070 /nfs/dbraw/zinc/59/90/70/1332599070.db2.gz YPJGCOXHGIXNSC-OAHLLOKOSA-N -1 0 348.410 2.595 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccnc2N(C)C)c1)C(=O)[O-] ZINC001346401462 1332635623 /nfs/dbraw/zinc/63/56/23/1332635623.db2.gz MKHFXSJFRGCFKO-LXKVQUBZSA-N -1 0 340.379 2.896 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001346671424 1332670966 /nfs/dbraw/zinc/67/09/66/1332670966.db2.gz XDPINDHMVVSEQT-MJBXVCDLSA-N -1 0 344.463 2.924 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1 ZINC001347049674 1332714143 /nfs/dbraw/zinc/71/41/43/1332714143.db2.gz SQOLIKZJNRFIPH-AWEZNQCLSA-N -1 0 339.395 2.999 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cccc(F)n2)cc([N+](=O)[O-])c1C ZINC001347170123 1332721507 /nfs/dbraw/zinc/72/15/07/1332721507.db2.gz HDVGQFNIFSDXKI-LLVKDONJSA-N -1 0 329.287 2.936 20 30 EFEDRM C[C@@H]1CCCCN1N=Cc1c(Br)cc(C(=O)[O-])n1C ZINC001347219458 1332725310 /nfs/dbraw/zinc/72/53/10/1332725310.db2.gz GOBGMFOAJNCLIR-SECBINFHSA-N -1 0 328.210 2.694 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c(F)cccc1Cl)C(=O)[O-] ZINC001348024136 1332794129 /nfs/dbraw/zinc/79/41/29/1332794129.db2.gz PXAMBBHAHJDEAJ-ZDUSSCGKSA-N -1 0 328.771 2.740 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001352013105 1333352017 /nfs/dbraw/zinc/35/20/17/1333352017.db2.gz IYEZNWINWWGAFG-CHWSQXEVSA-N -1 0 338.415 2.586 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1 ZINC000847621960 1334017191 /nfs/dbraw/zinc/01/71/91/1334017191.db2.gz WPMDIWMWYBDTOJ-MRXNPFEDSA-N -1 0 330.428 2.849 20 30 EFEDRM C=CCNC(=S)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001200292525 1334064223 /nfs/dbraw/zinc/06/42/23/1334064223.db2.gz JVGQKWAZANQMFT-UHFFFAOYSA-N -1 0 338.388 2.640 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000847645713 1334065905 /nfs/dbraw/zinc/06/59/05/1334065905.db2.gz ZJWKQSBRAJDUES-ZDUSSCGKSA-N -1 0 336.457 2.619 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-] ZINC001354295066 1334216989 /nfs/dbraw/zinc/21/69/89/1334216989.db2.gz WPVJXWVAQMFVRZ-STQMWFEESA-N -1 0 336.363 2.756 20 30 EFEDRM CC(C)N(C)c1ccc(C=[NH+][N-]c2ccc(CC(=O)[O-])cc2)cn1 ZINC000848413967 1334712757 /nfs/dbraw/zinc/71/27/57/1334712757.db2.gz GKALFNPBLZACSO-UHFFFAOYSA-N -1 0 326.400 2.999 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000848640831 1334821771 /nfs/dbraw/zinc/82/17/71/1334821771.db2.gz VJYOFXICRZFTSJ-LJTDUEICSA-N -1 0 340.379 2.967 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@@H](C)C1 ZINC001355889078 1334898633 /nfs/dbraw/zinc/89/86/33/1334898633.db2.gz WTJJNYXNBCCGJP-CYBMUJFWSA-N -1 0 330.436 2.680 20 30 EFEDRM CC(=Cc1ccco1)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000848837515 1334928809 /nfs/dbraw/zinc/92/88/09/1334928809.db2.gz WMHTVFJQUQJTCA-AGEOTTOMSA-N -1 0 330.365 2.868 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(CC(C)C)s1 ZINC001356220504 1334996719 /nfs/dbraw/zinc/99/67/19/1334996719.db2.gz IFIWPWXVLOOPSY-AWEZNQCLSA-N -1 0 336.457 2.812 20 30 EFEDRM CCCc1ccc([C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C(C)C)cc1 ZINC001413888651 1335065344 /nfs/dbraw/zinc/06/53/44/1335065344.db2.gz YCRNCAVFTPTXOC-MRXNPFEDSA-N -1 0 340.427 2.707 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccnn2CC2CC2)c1 ZINC000849243642 1335576038 /nfs/dbraw/zinc/57/60/38/1335576038.db2.gz WLRHPUAIZKQLKQ-SREVYHEPSA-N -1 0 326.352 2.653 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000849332329 1335592411 /nfs/dbraw/zinc/59/24/11/1335592411.db2.gz LZWIAECCMICRSJ-OAHLLOKOSA-N -1 0 337.441 2.681 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccnn2C2CCCC2)cc1C#N ZINC001361491549 1336120565 /nfs/dbraw/zinc/12/05/65/1336120565.db2.gz YDPNVFMFLONFTO-UHFFFAOYSA-N -1 0 343.412 2.945 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC001363121840 1336792356 /nfs/dbraw/zinc/79/23/56/1336792356.db2.gz LHSVUGMIJDDHNV-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001363156137 1336808647 /nfs/dbraw/zinc/80/86/47/1336808647.db2.gz RPFCXWIDXNCCIZ-GFCCVEGCSA-N -1 0 329.747 2.603 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)cc(F)c3[O-])CCO2)c1 ZINC001417702762 1373164918 /nfs/dbraw/zinc/16/49/18/1373164918.db2.gz MELGFULZZSXADZ-INIZCTEOSA-N -1 0 344.317 2.756 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccn3cc(C)nc3c2)cc1C#N ZINC001437993251 1388305835 /nfs/dbraw/zinc/30/58/35/1388305835.db2.gz VMCIGAXGIWEVMC-UHFFFAOYSA-N -1 0 339.380 2.589 20 30 EFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(C#N)c1F ZINC001434478287 1387167889 /nfs/dbraw/zinc/16/78/89/1387167889.db2.gz QOPZWRWIJCQSPZ-GWCFXTLKSA-N -1 0 343.324 2.729 20 30 EFEDRM C[C@H]1CC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)C1 ZINC001434548483 1387197687 /nfs/dbraw/zinc/19/76/87/1387197687.db2.gz UGHUHHPKBCZETH-NXEZZACHSA-N -1 0 328.384 2.939 20 30 EFEDRM C[C@@H]1CC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC001434548484 1387197738 /nfs/dbraw/zinc/19/77/38/1387197738.db2.gz UGHUHHPKBCZETH-UWVGGRQHSA-N -1 0 328.384 2.939 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC(C)(C#N)CC3)n2)c1 ZINC001466387678 1396751763 /nfs/dbraw/zinc/75/17/63/1396751763.db2.gz PUGSQXUYFXFIHB-UHFFFAOYSA-N -1 0 342.374 2.791 20 30 EFEDRM C[C@@H](CC#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964322 1426178230 /nfs/dbraw/zinc/17/82/30/1426178230.db2.gz YEWIEYPPCPCLHX-LBPRGKRZSA-N -1 0 348.366 2.691 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737708939 1428630034 /nfs/dbraw/zinc/63/00/34/1428630034.db2.gz JYFKKRUGYHERDI-UHFFFAOYSA-N -1 0 340.293 2.928 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(F)cc1C#N ZINC000826252497 1428669409 /nfs/dbraw/zinc/66/94/09/1428669409.db2.gz FMLZIIAJWCFRTN-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CSc1cc(Cl)ccc1Cl ZINC001601070334 1413389751 /nfs/dbraw/zinc/38/97/51/1413389751.db2.gz LJTIJALELGMEBE-UHFFFAOYSA-N -1 0 347.223 2.912 20 30 EFEDRM C=CCC[C@@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894223 1428765967 /nfs/dbraw/zinc/76/59/67/1428765967.db2.gz KPZGBCVHMCIPEL-OAHLLOKOSA-N -1 0 328.372 2.534 20 30 EFEDRM Cn1ccnc1[C@@H]1OCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447259 1414455356 /nfs/dbraw/zinc/45/53/56/1414455356.db2.gz QOQRIMKGYGPVSY-UKRRQHHQSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552448145 1414455542 /nfs/dbraw/zinc/45/55/42/1414455542.db2.gz QDJATPBXARLQSV-CJNGLKHVSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452894 1414456580 /nfs/dbraw/zinc/45/65/80/1414456580.db2.gz HRVMSESVVPTSKS-IAQYHMDHSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452223 1414456800 /nfs/dbraw/zinc/45/68/00/1414456800.db2.gz CXBVWRIHTCKWTP-BDJLRTHQSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1cc([C@@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552453187 1414456839 /nfs/dbraw/zinc/45/68/39/1414456839.db2.gz JZSWNPCBJOLZNX-MLGOLLRUSA-N -1 0 346.362 2.916 20 30 EFEDRM CCn1cc([C@H]2OCC[C@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552453185 1414456945 /nfs/dbraw/zinc/45/69/45/1414456945.db2.gz JZSWNPCBJOLZNX-LRDDRELGSA-N -1 0 346.362 2.916 20 30 EFEDRM Cn1cc([C@@H]2OCCC[C@@H]2CN=Nc2ccc(CC(=O)[O-])cc2)cn1 ZINC001552454893 1414457420 /nfs/dbraw/zinc/45/74/20/1414457420.db2.gz RTUJYQMBZACJQJ-RDTXWAMCSA-N -1 0 342.399 2.613 20 30 EFEDRM CCn1cc([C@@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552455308 1414457675 /nfs/dbraw/zinc/45/76/75/1414457675.db2.gz VUZMQYLQXSPFRZ-BDJLRTHQSA-N -1 0 346.362 2.916 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826257273 1428852175 /nfs/dbraw/zinc/85/21/75/1428852175.db2.gz VRNGWWVJLBNNPV-LBPRGKRZSA-N -1 0 332.367 2.538 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)c3nn(-c4ccccc4)cc3[O-])nc2c1 ZINC001557761909 1415143489 /nfs/dbraw/zinc/14/34/89/1415143489.db2.gz FODFMHAAYRFGEX-UHFFFAOYSA-N -1 0 344.334 2.578 20 30 EFEDRM N#Cc1cccc(-c2nc(NC(=O)c3cc(F)cc(F)c3[O-])n[nH]2)c1 ZINC001559046510 1415220652 /nfs/dbraw/zinc/22/06/52/1415220652.db2.gz JOOXQUSPWUGSLW-UHFFFAOYSA-N -1 0 341.277 2.579 20 30 EFEDRM Cn1c(=O)[n-]c(Oc2ccc(Oc3ccccc3)cc2)c(C#N)c1=O ZINC001559052333 1415221209 /nfs/dbraw/zinc/22/12/09/1415221209.db2.gz NNNYFQXRSGGLEQ-UHFFFAOYSA-N -1 0 335.319 2.530 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826383989 1428879313 /nfs/dbraw/zinc/87/93/13/1428879313.db2.gz ASXRDWYDTUOCFO-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM C=CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819740232 1428950752 /nfs/dbraw/zinc/95/07/52/1428950752.db2.gz VHRNPAPTDVVFIG-UHFFFAOYSA-N -1 0 341.321 2.978 20 30 EFEDRM CC(N=Nc1ncccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962811 1428981450 /nfs/dbraw/zinc/98/14/50/1428981450.db2.gz PCNCVHSTSXMCIC-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001645665683 1416549324 /nfs/dbraw/zinc/54/93/24/1416549324.db2.gz WSQHMVFLPFHQJL-UHFFFAOYSA-N -1 0 344.440 2.945 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1OCc1cn2ccccc2c1C#N ZINC000822135931 1429121545 /nfs/dbraw/zinc/12/15/45/1429121545.db2.gz GZDDOWDQYPWPMC-UHFFFAOYSA-N -1 0 330.351 2.879 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1nc2ccccc2s1 ZINC000122836770 1417064150 /nfs/dbraw/zinc/06/41/50/1417064150.db2.gz GBNIVHMQTAHHBL-NSHDSACASA-N -1 0 338.392 2.554 20 30 EFEDRM C#CCOc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380028 1429168456 /nfs/dbraw/zinc/16/84/56/1429168456.db2.gz BDUHORRTSHQLOJ-UHFFFAOYSA-N -1 0 332.367 2.715 20 30 EFEDRM N#Cc1ccc(COc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825461 1429226380 /nfs/dbraw/zinc/22/63/80/1429226380.db2.gz GQTAIKWBWIDWEX-UHFFFAOYSA-N -1 0 343.293 2.919 20 30 EFEDRM C#CCCCCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000823840955 1429297264 /nfs/dbraw/zinc/29/72/64/1429297264.db2.gz HAFLJBBLLBORED-UHFFFAOYSA-N -1 0 337.383 2.746 20 30 EFEDRM C#CCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735375312 1429310500 /nfs/dbraw/zinc/31/05/00/1429310500.db2.gz XWNJLUGTEZWPNI-UHFFFAOYSA-N -1 0 349.419 2.771 20 30 EFEDRM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1O ZINC000821712109 1429331784 /nfs/dbraw/zinc/33/17/84/1429331784.db2.gz CQBYPCMJWBMVFE-MDWZMJQESA-N -1 0 348.362 2.793 20 30 EFEDRM N#Cc1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822833294 1429474142 /nfs/dbraw/zinc/47/41/42/1429474142.db2.gz NRDLUMAOWYHYFW-UHFFFAOYSA-N -1 0 328.339 2.666 20 30 EFEDRM C=CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823898758 1429560678 /nfs/dbraw/zinc/56/06/78/1429560678.db2.gz AAVQLNCWSQUJHL-UHFFFAOYSA-N -1 0 341.415 2.593 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=CC(C)(C)C ZINC000735419236 1429561042 /nfs/dbraw/zinc/56/10/42/1429561042.db2.gz QUYBANLEPBPDOY-KTKRTIGZSA-N -1 0 325.416 2.984 20 30 EFEDRM CC(=NNc1cc(C#N)cc(Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823958806 1429588127 /nfs/dbraw/zinc/58/81/27/1429588127.db2.gz XNYHMZJJKOZCRX-UHFFFAOYSA-N -1 0 338.762 2.623 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822810379 1429588548 /nfs/dbraw/zinc/58/85/48/1429588548.db2.gz HTHYECAKZDIJHG-UHFFFAOYSA-N -1 0 326.335 2.515 20 30 EFEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nnn[n-]2)c1 ZINC000116975204 1423247003 /nfs/dbraw/zinc/24/70/03/1423247003.db2.gz SHERIQGOGBQMGY-UHFFFAOYSA-N -1 0 340.730 2.769 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689101 1423256011 /nfs/dbraw/zinc/25/60/11/1423256011.db2.gz UPXKVAWSLMUOFB-GFCCVEGCSA-N -1 0 334.335 2.838 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963158 1423357706 /nfs/dbraw/zinc/35/77/06/1423357706.db2.gz XCGJZMJUCAUFKN-UHFFFAOYSA-N -1 0 347.357 2.812 20 30 EFEDRM CCc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000736687678 1423478453 /nfs/dbraw/zinc/47/84/53/1423478453.db2.gz CZTAWDMAYANKPM-UHFFFAOYSA-N -1 0 337.412 2.570 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735399808 1423625850 /nfs/dbraw/zinc/62/58/50/1423625850.db2.gz WDTDGVXQQUNJBV-UHFFFAOYSA-N -1 0 331.424 2.853 20 30 EFEDRM Cc1ccnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C#N ZINC000826310354 1429665650 /nfs/dbraw/zinc/66/56/50/1429665650.db2.gz SOQBHTYUPNPSCB-UHFFFAOYSA-N -1 0 343.394 2.736 20 30 EFEDRM C=CCC[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894222 1423757416 /nfs/dbraw/zinc/75/74/16/1423757416.db2.gz KPZGBCVHMCIPEL-HNNXBMFYSA-N -1 0 328.372 2.534 20 30 EFEDRM C=C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000131993274 1423957267 /nfs/dbraw/zinc/95/72/67/1423957267.db2.gz HXFBKWIRLMTCSL-OAHLLOKOSA-N -1 0 333.395 2.843 20 30 EFEDRM C(=NNCCCc1ccccc1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819719069 1423999227 /nfs/dbraw/zinc/99/92/27/1423999227.db2.gz YOOJGVPCEINMKL-UHFFFAOYSA-N -1 0 345.410 2.904 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822810064 1424003205 /nfs/dbraw/zinc/00/32/05/1424003205.db2.gz BJWLROODDQEASA-UHFFFAOYSA-N -1 0 326.335 2.515 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000737719326 1424335284 /nfs/dbraw/zinc/33/52/84/1424335284.db2.gz PBLRCWHASNMQRH-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000274303115 1424616578 /nfs/dbraw/zinc/61/65/78/1424616578.db2.gz AABQTSJVBAFLLU-CQSZACIVSA-N -1 0 330.392 2.776 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823909505 1424626651 /nfs/dbraw/zinc/62/66/51/1424626651.db2.gz GTKSDQIZEUFGHM-UHFFFAOYSA-N -1 0 348.819 2.738 20 30 EFEDRM N#Cc1ccc(Sc2nccnc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826385983 1429746850 /nfs/dbraw/zinc/74/68/50/1429746850.db2.gz KGYSROFRRRTTEY-UHFFFAOYSA-N -1 0 349.301 2.698 20 30 EFEDRM CCCCCCCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271828 1424705787 /nfs/dbraw/zinc/70/57/87/1424705787.db2.gz OSNRRFUJDPDFRC-INIZCTEOSA-N -1 0 345.447 2.767 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826385380 1424749618 /nfs/dbraw/zinc/74/96/18/1424749618.db2.gz JOEBKKYCUBGYKP-KRWDZBQOSA-N -1 0 344.378 2.871 20 30 EFEDRM C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823894499 1425070592 /nfs/dbraw/zinc/07/05/92/1425070592.db2.gz RPTGPXYRUNMLJV-BBRMVZONSA-N -1 0 341.415 2.733 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)O2 ZINC000822210798 1425087733 /nfs/dbraw/zinc/08/77/33/1425087733.db2.gz RKKVUPQMWADBLD-WDZFZDKYSA-N -1 0 326.337 2.558 20 30 EFEDRM C=C[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819729835 1425109314 /nfs/dbraw/zinc/10/93/14/1425109314.db2.gz NKKZBDCHFALBJS-ZDUSSCGKSA-N -1 0 349.394 2.750 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819817497 1425145831 /nfs/dbraw/zinc/14/58/31/1425145831.db2.gz JFJODVCVTWAWQD-AATRIKPKSA-N -1 0 339.380 2.783 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000823909683 1425241932 /nfs/dbraw/zinc/24/19/32/1425241932.db2.gz NCLIFRDCPNYNRE-ZDUSSCGKSA-N -1 0 340.431 2.753 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819729632 1425409369 /nfs/dbraw/zinc/40/93/69/1425409369.db2.gz JTSFYHHISCRGSU-ZDUSSCGKSA-N -1 0 349.394 2.750 20 30 EFEDRM Cc1ncc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000823958843 1425448754 /nfs/dbraw/zinc/44/87/54/1425448754.db2.gz YWSIPCPWXDMHPL-UHFFFAOYSA-N -1 0 334.796 2.516 20 30 EFEDRM CC(C)CCN(CCC#N)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820076945 1425725366 /nfs/dbraw/zinc/72/53/66/1425725366.db2.gz WTLRNGWEJUJEKA-UHFFFAOYSA-N -1 0 328.420 2.507 20 30 EFEDRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1(C)C ZINC000735680828 1425765240 /nfs/dbraw/zinc/76/52/40/1425765240.db2.gz ZQJJEPBXWMOSJE-GJZGRUSLSA-N -1 0 336.399 2.915 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000824035055 1425895784 /nfs/dbraw/zinc/89/57/84/1425895784.db2.gz SITVPOLCEZJWME-JTQLQIEISA-N -1 0 326.385 2.831 20 30 EFEDRM Cc1ccc(F)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1F ZINC000826289096 1425898295 /nfs/dbraw/zinc/89/82/95/1425898295.db2.gz KKFCZVDWKVCKSD-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1-c1nn[n-]n1 ZINC000737710042 1426211989 /nfs/dbraw/zinc/21/19/89/1426211989.db2.gz UPBCHQXVUZCMAN-UHFFFAOYSA-N -1 0 344.378 2.869 20 30 EFEDRM COc1cc(F)cc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826180398 1426256305 /nfs/dbraw/zinc/25/63/05/1426256305.db2.gz FVWOIAWEGCOZKT-UHFFFAOYSA-N -1 0 344.325 2.990 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736310076 1426308712 /nfs/dbraw/zinc/30/87/12/1426308712.db2.gz UJTQLNOGGASDNZ-CQSZACIVSA-N -1 0 347.382 2.642 20 30 EFEDRM N#Cc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826384859 1426313010 /nfs/dbraw/zinc/31/30/10/1426313010.db2.gz MIRGDMWGRWXIBI-UHFFFAOYSA-N -1 0 332.367 2.621 20 30 EFEDRM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C#N)c1 ZINC000821412345 1426334416 /nfs/dbraw/zinc/33/44/16/1426334416.db2.gz KMBMRNKEPCLUCD-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450935 1426554013 /nfs/dbraw/zinc/55/40/13/1426554013.db2.gz KTXIBOPQDVLQCN-UHFFFAOYSA-N -1 0 330.355 2.646 20 30 EFEDRM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C#N)c1C ZINC000826251756 1426561384 /nfs/dbraw/zinc/56/13/84/1426561384.db2.gz ZKCILMAPIJOEGL-UHFFFAOYSA-N -1 0 338.396 2.977 20 30 EFEDRM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403485 1426743919 /nfs/dbraw/zinc/74/39/19/1426743919.db2.gz UALYNBJTYLBFRQ-XQRVVYSFSA-N -1 0 329.722 2.950 20 30 EFEDRM CC(=NNCCCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953610 1426750769 /nfs/dbraw/zinc/75/07/69/1426750769.db2.gz ISJHSRYFUKJCPM-UHFFFAOYSA-N -1 0 326.429 2.875 20 30 EFEDRM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820831672 1426757062 /nfs/dbraw/zinc/75/70/62/1426757062.db2.gz ASJIADKATXMHHS-UHFFFAOYSA-N -1 0 349.442 2.837 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402730 1426829392 /nfs/dbraw/zinc/82/93/92/1426829392.db2.gz AIPJQIMQFCOVBG-DAFODLJHSA-N -1 0 345.315 2.872 20 30 EFEDRM CC(C)CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820051787 1426911934 /nfs/dbraw/zinc/91/19/34/1426911934.db2.gz WLYQZNJNQDYLOO-UHFFFAOYSA-N -1 0 335.415 2.802 20 30 EFEDRM Fc1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822782789 1426914328 /nfs/dbraw/zinc/91/43/28/1426914328.db2.gz GWKQQOBRDCXVCU-UHFFFAOYSA-N -1 0 335.346 2.611 20 30 EFEDRM CCCCCCCCCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474319 1426928711 /nfs/dbraw/zinc/92/87/11/1426928711.db2.gz GNDCPYCMYKWDLW-ZDUSSCGKSA-N -1 0 325.482 2.957 20 30 EFEDRM C=CCC[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000913744344 1427080050 /nfs/dbraw/zinc/08/00/50/1427080050.db2.gz KFPDXEOMXRRTER-MRXNPFEDSA-N -1 0 325.416 2.656 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000826381545 1427120406 /nfs/dbraw/zinc/12/04/06/1427120406.db2.gz PUCJCIZEXRLWIK-GFCCVEGCSA-N -1 0 338.396 2.703 20 30 EFEDRM FC(F)(F)c1cc(N=NC2CCCOCC2)ccc1-c1nn[n-]n1 ZINC000826368176 1427144260 /nfs/dbraw/zinc/14/42/60/1427144260.db2.gz FQCYZZBBNXMDKG-UHFFFAOYSA-N -1 0 340.309 2.854 20 30 EFEDRM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1cc(Cl)ccc1C#N ZINC000821573238 1427254417 /nfs/dbraw/zinc/25/44/17/1427254417.db2.gz HAURLVYMMVVDDB-UHFFFAOYSA-N -1 0 344.787 2.730 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826256894 1427274035 /nfs/dbraw/zinc/27/40/35/1427274035.db2.gz FOZGALRXOWIKAZ-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM CSCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821956156 1427284686 /nfs/dbraw/zinc/28/46/86/1427284686.db2.gz IFVAVFSPIDRSQM-UHFFFAOYSA-N -1 0 338.440 2.724 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826384403 1427298203 /nfs/dbraw/zinc/29/82/03/1427298203.db2.gz UBQICCRKTIOMCG-GORDUTHDSA-N -1 0 325.328 2.835 20 30 EFEDRM C=C[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823883401 1427306713 /nfs/dbraw/zinc/30/67/13/1427306713.db2.gz QCMCMDPEPICDCF-ZDUSSCGKSA-N -1 0 348.410 2.907 20 30 EFEDRM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000737080963 1427396076 /nfs/dbraw/zinc/39/60/76/1427396076.db2.gz JOVBYDDXCVPQHQ-FNORWQNLSA-N -1 0 331.335 2.643 20 30 EFEDRM COc1ccc(O)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826210119 1427454493 /nfs/dbraw/zinc/45/44/93/1427454493.db2.gz FGNKBBXBKBELPL-UTCJRWHESA-N -1 0 340.314 2.616 20 30 EFEDRM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)o1 ZINC000821477083 1427484730 /nfs/dbraw/zinc/48/47/30/1427484730.db2.gz XQERDNLZUJFDFF-GQCTYLIASA-N -1 0 334.339 2.566 20 30 EFEDRM CCCCCCCCNC(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000825271054 1427685203 /nfs/dbraw/zinc/68/52/03/1427685203.db2.gz GCQQBTNEBHXIIK-UHFFFAOYSA-N -1 0 330.436 2.755 20 30 EFEDRM N#C[C@H](COC(=O)c1sccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379983 1427908655 /nfs/dbraw/zinc/90/86/55/1427908655.db2.gz JBRZDUQACYCLGM-SECBINFHSA-N -1 0 345.409 2.529 20 30 EFEDRM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000824371803 1427916277 /nfs/dbraw/zinc/91/62/77/1427916277.db2.gz SUNRWVKFGAFVAV-ZZXKWVIFSA-N -1 0 326.335 2.679 20 30 EFEDRM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000735409315 1427949929 /nfs/dbraw/zinc/94/99/29/1427949929.db2.gz YWKSXXHKCVLARO-UHFFFAOYSA-N -1 0 336.355 2.959 20 30 EFEDRM C=CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819751142 1427952569 /nfs/dbraw/zinc/95/25/69/1427952569.db2.gz RRLPYAKGPZZHPW-UHFFFAOYSA-N -1 0 335.367 2.883 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737674587 1427988983 /nfs/dbraw/zinc/98/89/83/1427988983.db2.gz KNMHOIHLKJLAOU-CQSZACIVSA-N -1 0 338.758 2.515 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824004646 1428024098 /nfs/dbraw/zinc/02/40/98/1428024098.db2.gz BDUZDKOFEOGKPM-MDZDMXLPSA-N -1 0 333.351 2.721 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824000039 1428079124 /nfs/dbraw/zinc/07/91/24/1428079124.db2.gz RPKXJNQDRQFWFM-FLIBITNWSA-N -1 0 333.351 2.721 20 30 EFEDRM Fc1cccc(CNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000822787000 1428103882 /nfs/dbraw/zinc/10/38/82/1428103882.db2.gz RRSYVIFNOIVOKC-UHFFFAOYSA-N -1 0 336.374 2.836 20 30 EFEDRM CCc1ccc(C=NOCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000825704665 1428133890 /nfs/dbraw/zinc/13/38/90/1428133890.db2.gz MMJZGKQYVFYJOL-UHFFFAOYSA-N -1 0 337.383 2.988 20 30 EFEDRM CC(C)CCn1cccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824249189 1429978936 /nfs/dbraw/zinc/97/89/36/1429978936.db2.gz JZSYBWSFCOLEGC-UHFFFAOYSA-N -1 0 337.431 2.838 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCC1CCCC1 ZINC000822819497 1430191474 /nfs/dbraw/zinc/19/14/74/1430191474.db2.gz UBJCIZJDKRWOFU-UHFFFAOYSA-N -1 0 329.433 2.778 20 30 EFEDRM Cc1cc(N(C)[C@H](C)CC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822205903 1441437245 /nfs/dbraw/zinc/43/72/45/1441437245.db2.gz MYUSMSSIUAMNQZ-GFCCVEGCSA-N -1 0 346.398 2.714 20 30 EFEDRM C=C(Br)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735397714 1441463980 /nfs/dbraw/zinc/46/39/80/1441463980.db2.gz CPWMVSCXWPXVAV-UHFFFAOYSA-N -1 0 349.114 2.601 20 30 EFEDRM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673537 1441468885 /nfs/dbraw/zinc/46/88/85/1441468885.db2.gz BBWXGTQSCUIWRE-NSHDSACASA-N -1 0 344.787 2.576 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825039766 1441508255 /nfs/dbraw/zinc/50/82/55/1441508255.db2.gz VYUCAWLVLUIIMA-GFCCVEGCSA-N -1 0 332.367 2.566 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2O)o1 ZINC000735450896 1441523821 /nfs/dbraw/zinc/52/38/21/1441523821.db2.gz IZIRHJBHHCGAAL-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM CCc1nc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000825745815 1441548874 /nfs/dbraw/zinc/54/88/74/1441548874.db2.gz PPUIOYGONXFPHY-UHFFFAOYSA-N -1 0 333.808 2.985 20 30 EFEDRM C[C@](C#N)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000819844379 1441602241 /nfs/dbraw/zinc/60/22/41/1441602241.db2.gz FPNZPFGXYRMFLO-OAHLLOKOSA-N -1 0 330.417 2.521 20 30 EFEDRM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CCOCC1 ZINC000820833180 1441645165 /nfs/dbraw/zinc/64/51/65/1441645165.db2.gz SRXDAYIKCHJEFK-UHFFFAOYSA-N -1 0 347.423 2.757 20 30 EFEDRM Fc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822795447 1441681490 /nfs/dbraw/zinc/68/14/90/1441681490.db2.gz BCMXGTJOSDAMEE-UHFFFAOYSA-N -1 0 336.330 2.809 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735381768 1441686617 /nfs/dbraw/zinc/68/66/17/1441686617.db2.gz ZNVFRXLBPPWOCY-UHFFFAOYSA-N -1 0 341.321 2.769 20 30 EFEDRM CC[C@@H]1C[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000825183436 1441728529 /nfs/dbraw/zinc/72/85/29/1441728529.db2.gz OQGBFMLJIUGLHX-GXSJLCMTSA-N -1 0 335.799 2.518 20 30 EFEDRM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000738371873 1441753690 /nfs/dbraw/zinc/75/36/90/1441753690.db2.gz YJZMCHRXHDORRD-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM CC[C@H]1CCC[C@H](C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC000825195341 1441831533 /nfs/dbraw/zinc/83/15/33/1441831533.db2.gz WGWDTEXKVVWRFN-KBPBESRZSA-N -1 0 328.420 2.696 20 30 EFEDRM C[C@@H](C#N)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506419 1441834789 /nfs/dbraw/zinc/83/47/89/1441834789.db2.gz WKYARJSEPMSULV-LBPRGKRZSA-N -1 0 348.366 2.548 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)s2)o1 ZINC000823962101 1441855132 /nfs/dbraw/zinc/85/51/32/1441855132.db2.gz FDXKUDIWLRMLFT-UHFFFAOYSA-N -1 0 342.388 2.747 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C1CC1 ZINC000823904095 1441855442 /nfs/dbraw/zinc/85/54/42/1441855442.db2.gz UTHKDSVMSFCYKC-UHFFFAOYSA-N -1 0 342.403 2.836 20 30 EFEDRM CCCCCCCCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825272289 1441875339 /nfs/dbraw/zinc/87/53/39/1441875339.db2.gz ZPDGVYMILIODSF-HNNXBMFYSA-N -1 0 332.404 2.804 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401488 1441912271 /nfs/dbraw/zinc/91/22/71/1441912271.db2.gz ZZDRTGSZOHGBAT-PLNGDYQASA-N -1 0 327.325 2.733 20 30 EFEDRM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(F)c1 ZINC000737717254 1441925164 /nfs/dbraw/zinc/92/51/64/1441925164.db2.gz BKWDOIZQHRTMAV-UHFFFAOYSA-N -1 0 345.341 2.789 20 30 EFEDRM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403072 1441950270 /nfs/dbraw/zinc/95/02/70/1441950270.db2.gz JDQUKOQDHGNZEA-FNORWQNLSA-N -1 0 334.314 2.550 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cnc12 ZINC000826308429 1441982090 /nfs/dbraw/zinc/98/20/90/1441982090.db2.gz YZAVVQITHZIBBO-ALCCZGGFSA-N -1 0 348.341 2.858 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C1CC1)C1CC1 ZINC000823909490 1442013439 /nfs/dbraw/zinc/01/34/39/1442013439.db2.gz GGBNMHSHNGFTPC-UHFFFAOYSA-N -1 0 337.427 2.818 20 30 EFEDRM COc1ccc2c(c1)OC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821850012 1442022566 /nfs/dbraw/zinc/02/25/66/1442022566.db2.gz UZOJNELBDUSGAT-AWNIVKPZSA-N -1 0 326.337 2.553 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000736618555 1442023378 /nfs/dbraw/zinc/02/33/78/1442023378.db2.gz VELMZHCQPDUZKN-NSHDSACASA-N -1 0 347.423 2.656 20 30 EFEDRM O=C1C(=Cc2cnc3ccccn23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503359 1442035435 /nfs/dbraw/zinc/03/54/35/1442035435.db2.gz DNLDVKIIAICJLV-RAXLEYEMSA-N -1 0 342.362 2.727 20 30 EFEDRM C[C@@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824385385 1442040942 /nfs/dbraw/zinc/04/09/42/1442040942.db2.gz RVWNCHUHDYGBAN-LBPRGKRZSA-N -1 0 348.366 2.691 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2ccsc2)nc1N ZINC000826383534 1442063460 /nfs/dbraw/zinc/06/34/60/1442063460.db2.gz FSVVCQHKFVDCEG-UHFFFAOYSA-N -1 0 343.441 2.502 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000821703228 1442098195 /nfs/dbraw/zinc/09/81/95/1442098195.db2.gz VKDBDWGUABMZAF-XQRVVYSFSA-N -1 0 340.314 2.616 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000735416399 1442105669 /nfs/dbraw/zinc/10/56/69/1442105669.db2.gz IMJGEAZIEYWSIF-SECBINFHSA-N -1 0 335.433 2.719 20 30 EFEDRM CCN(C(=O)C#Cc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147012 1442140890 /nfs/dbraw/zinc/14/08/90/1442140890.db2.gz CVCHUMQRUILLBA-OAHLLOKOSA-N -1 0 345.406 2.828 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000737720169 1442172122 /nfs/dbraw/zinc/17/21/22/1442172122.db2.gz ZBQFWTARGBOKAM-UHFFFAOYSA-N -1 0 344.378 2.869 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825615817 1442229369 /nfs/dbraw/zinc/22/93/69/1442229369.db2.gz LYUFFVRGQANLLX-UHFFFAOYSA-N -1 0 349.350 2.665 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820893361 1442269589 /nfs/dbraw/zinc/26/95/89/1442269589.db2.gz OLKSJTKGGXNMGR-UHFFFAOYSA-N -1 0 332.433 2.720 20 30 EFEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1coc(-c2ccccc2)n1 ZINC000823868400 1442303310 /nfs/dbraw/zinc/30/33/10/1442303310.db2.gz ZPKQZKQBQCHQCK-UHFFFAOYSA-N -1 0 331.339 2.968 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820198002 1442379278 /nfs/dbraw/zinc/37/92/78/1442379278.db2.gz QLRSTGLGQLVAAK-JOYOIKCWSA-N -1 0 345.407 2.581 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735410098 1442442294 /nfs/dbraw/zinc/44/22/94/1442442294.db2.gz UFGAEOGXIGDQHS-OAHLLOKOSA-N -1 0 335.371 2.701 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820198004 1442479858 /nfs/dbraw/zinc/47/98/58/1442479858.db2.gz QLRSTGLGQLVAAK-SKDRFNHKSA-N -1 0 345.407 2.581 20 30 EFEDRM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826266092 1443089722 /nfs/dbraw/zinc/08/97/22/1443089722.db2.gz BITLOTMULYLVHQ-UHFFFAOYSA-N -1 0 326.791 2.952 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736676401 1443095054 /nfs/dbraw/zinc/09/50/54/1443095054.db2.gz UFGJXSSLWFCPKP-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807777 1443109472 /nfs/dbraw/zinc/10/94/72/1443109472.db2.gz MQHLCTBOHJECFR-AATRIKPKSA-N -1 0 348.288 2.522 20 30 EFEDRM FC(F)(F)c1csc(N=NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822729245 1443135767 /nfs/dbraw/zinc/13/57/67/1443135767.db2.gz XPVPPQJVVSGTPA-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000821850135 1443162825 /nfs/dbraw/zinc/16/28/25/1443162825.db2.gz XBSBKUREVMKRAM-GXDHUFHOSA-N -1 0 348.362 2.924 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3ccccc3n2)o1 ZINC000819782852 1443209445 /nfs/dbraw/zinc/20/94/45/1443209445.db2.gz QLCWMCYHWINSBV-UHFFFAOYSA-N -1 0 334.343 2.547 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000821566702 1443258068 /nfs/dbraw/zinc/25/80/68/1443258068.db2.gz QEKVFFOSDNYGMM-ALCCZGGFSA-N -1 0 328.401 2.658 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(F)cc1F ZINC000822176995 1443344176 /nfs/dbraw/zinc/34/41/76/1443344176.db2.gz RASQBZSCIBJEGL-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824034132 1443421862 /nfs/dbraw/zinc/42/18/62/1443421862.db2.gz HICJOUPWIHJDQK-LLVKDONJSA-N -1 0 349.354 2.802 20 30 EFEDRM C=C[C@@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823882687 1443479285 /nfs/dbraw/zinc/47/92/85/1443479285.db2.gz BOLFIBDGAUQNLI-WFASDCNBSA-N -1 0 330.388 2.778 20 30 EFEDRM Cc1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822274756 1443484456 /nfs/dbraw/zinc/48/44/56/1443484456.db2.gz IJIUACDZJSMETE-UHFFFAOYSA-N -1 0 331.383 2.780 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962908 1443502790 /nfs/dbraw/zinc/50/27/90/1443502790.db2.gz RGUSRWXSWUFLNK-UHFFFAOYSA-N -1 0 341.306 2.750 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826383949 1443567089 /nfs/dbraw/zinc/56/70/89/1443567089.db2.gz YZHZJYYYRJSMGS-UHFFFAOYSA-N -1 0 339.742 2.749 20 30 EFEDRM N#Cc1ccccc1NC(=S)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737727263 1443578017 /nfs/dbraw/zinc/57/80/17/1443578017.db2.gz IBBGUOFHRQQLLM-UHFFFAOYSA-N -1 0 339.359 2.686 20 30 EFEDRM CCN(CC#N)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825395583 1443602448 /nfs/dbraw/zinc/60/24/48/1443602448.db2.gz RVKHJFIPNAAHKF-UHFFFAOYSA-N -1 0 348.410 2.791 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1O ZINC000826190649 1443618088 /nfs/dbraw/zinc/61/80/88/1443618088.db2.gz IHHXUBPCJDPRSB-QHHAFSJGSA-N -1 0 340.314 2.616 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735436868 1443623317 /nfs/dbraw/zinc/62/33/17/1443623317.db2.gz SDKBGWHDSFIZHS-UHFFFAOYSA-N -1 0 346.350 2.555 20 30 EFEDRM C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155036 1443638668 /nfs/dbraw/zinc/63/86/68/1443638668.db2.gz GCQZBAQIJWJUPB-GFCCVEGCSA-N -1 0 333.351 2.585 20 30 EFEDRM COc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826221771 1443656609 /nfs/dbraw/zinc/65/66/09/1443656609.db2.gz UGKMMGOVRYMFLX-PLNGDYQASA-N -1 0 330.344 2.972 20 30 EFEDRM COc1ccc(O)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821839543 1443686774 /nfs/dbraw/zinc/68/67/74/1443686774.db2.gz WDUNYASBTPNRQJ-ZZXKWVIFSA-N -1 0 328.353 2.539 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000826190947 1443693646 /nfs/dbraw/zinc/69/36/46/1443693646.db2.gz RNEUOCGATGYVPT-RQOWECAXSA-N -1 0 337.364 2.705 20 30 EFEDRM CCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825735390 1443719904 /nfs/dbraw/zinc/71/99/04/1443719904.db2.gz RWYJJNXQZDUTEU-AATRIKPKSA-N -1 0 329.360 2.921 20 30 EFEDRM C=CCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)c(OC)c1 ZINC000819758934 1443741283 /nfs/dbraw/zinc/74/12/83/1443741283.db2.gz JOQHSHQJACUILM-UHFFFAOYSA-N -1 0 342.380 2.885 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000819772254 1443748307 /nfs/dbraw/zinc/74/83/07/1443748307.db2.gz BLCIHPYMIARKJY-UHFFFAOYSA-N -1 0 343.394 2.929 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C#N ZINC000826385730 1443798761 /nfs/dbraw/zinc/79/87/61/1443798761.db2.gz YFJQVIAQLCSYHU-UHFFFAOYSA-N -1 0 349.741 2.516 20 30 EFEDRM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823953767 1443802621 /nfs/dbraw/zinc/80/26/21/1443802621.db2.gz POSJUVVRBZYHGU-UHFFFAOYSA-N -1 0 334.355 2.720 20 30 EFEDRM Cc1cc(C)cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826264643 1443833920 /nfs/dbraw/zinc/83/39/20/1443833920.db2.gz VFPSCWSOBVXGML-UHFFFAOYSA-N -1 0 327.779 2.978 20 30 EFEDRM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402766 1443878268 /nfs/dbraw/zinc/87/82/68/1443878268.db2.gz BKBXBADLZXASKZ-XQRVVYSFSA-N -1 0 329.722 2.950 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc3c(c2)CCO3)cc1-c1nn[n-]n1 ZINC000737080504 1443978882 /nfs/dbraw/zinc/97/88/82/1443978882.db2.gz BXPFHGIDKQQMMP-DJWKRKHSSA-N -1 0 348.362 2.706 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1-c1nnn[n-]1 ZINC000737718620 1443983118 /nfs/dbraw/zinc/98/31/18/1443983118.db2.gz KZDLVQBPHGFUFG-UHFFFAOYSA-N -1 0 341.334 2.539 20 30 EFEDRM C[C@](C#N)(NC(=O)c1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735503579 1444016948 /nfs/dbraw/zinc/01/69/48/1444016948.db2.gz JTQQOBPJBPWMSO-OAHLLOKOSA-N -1 0 330.417 2.521 20 30 EFEDRM C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137877 1446080000 /nfs/dbraw/zinc/08/00/00/1446080000.db2.gz MMPDFIHEASSKJL-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826190762 1446219317 /nfs/dbraw/zinc/21/93/17/1446219317.db2.gz MKLXVBVCPLQJFR-DUXPYHPUSA-N -1 0 330.344 2.972 20 30 EFEDRM N#Cc1ccc(F)c(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822829641 1446271815 /nfs/dbraw/zinc/27/18/15/1446271815.db2.gz BIXZERPDFJLINN-UHFFFAOYSA-N -1 0 330.273 2.768 20 30 EFEDRM N#Cc1ccc2c(c1)CCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000822837799 1446291920 /nfs/dbraw/zinc/29/19/20/1446291920.db2.gz TVPHLFKJONNZQB-NVNXTCNLSA-N -1 0 327.347 2.951 20 30 EFEDRM C#Cc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819710196 1446331745 /nfs/dbraw/zinc/33/17/45/1446331745.db2.gz YXYZWPBDJDCKSI-UHFFFAOYSA-N -1 0 347.378 2.644 20 30 EFEDRM COc1ccc(C=C2CCc3c(O)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000821786577 1446396197 /nfs/dbraw/zinc/39/61/97/1446396197.db2.gz FQIDPWJLVDUEAY-XFXZXTDPSA-N -1 0 348.362 2.793 20 30 EFEDRM CC#CCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823937105 1446421361 /nfs/dbraw/zinc/42/13/61/1446421361.db2.gz IECHTCSAGWGQPI-UHFFFAOYSA-N -1 0 331.379 2.677 20 30 EFEDRM N#Cc1ccc([C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826385104 1446517733 /nfs/dbraw/zinc/51/77/33/1446517733.db2.gz XNZIBUQUZLETNX-AWEZNQCLSA-N -1 0 341.758 2.504 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823894247 1446522406 /nfs/dbraw/zinc/52/24/06/1446522406.db2.gz LJVBTIZBAXGSHC-LLVKDONJSA-N -1 0 332.383 2.550 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822837405 1446535865 /nfs/dbraw/zinc/53/58/65/1446535865.db2.gz NJIILIZDUDAHSF-YVMONPNESA-N -1 0 349.325 2.634 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735561481 1446549719 /nfs/dbraw/zinc/54/97/19/1446549719.db2.gz ZBIBLXFADCRNMC-SNVBAGLBSA-N -1 0 336.330 2.620 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819689095 1446561090 /nfs/dbraw/zinc/56/10/90/1446561090.db2.gz UHGBMVALLQRTMO-CYBMUJFWSA-N -1 0 348.362 2.624 20 30 EFEDRM Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C#N)c1C ZINC000822563490 1446653211 /nfs/dbraw/zinc/65/32/11/1446653211.db2.gz KZXYSVNAKJXOIR-UHFFFAOYSA-N -1 0 330.398 2.731 20 30 EFEDRM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826387590 1446681354 /nfs/dbraw/zinc/68/13/54/1446681354.db2.gz FBZJRNBBXATJDY-DUXPYHPUSA-N -1 0 325.328 2.835 20 30 EFEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc([C@H]2CCCO2)s1 ZINC000823861435 1446884644 /nfs/dbraw/zinc/88/46/44/1446884644.db2.gz IPUMJCXNKPZKOE-CYBMUJFWSA-N -1 0 341.400 2.621 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737232208 1446903072 /nfs/dbraw/zinc/90/30/72/1446903072.db2.gz ZAFJKXRXJYAAJJ-UHFFFAOYSA-N -1 0 335.367 2.813 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735399821 1446904751 /nfs/dbraw/zinc/90/47/51/1446904751.db2.gz WLPBEVKILZNKEX-GFCCVEGCSA-N -1 0 331.445 2.772 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894596 1446904776 /nfs/dbraw/zinc/90/47/76/1446904776.db2.gz UNTKDRFGIHMGJK-QWHCGFSZSA-N -1 0 328.420 2.972 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(F)c3)C2)o1 ZINC000826322752 1446922763 /nfs/dbraw/zinc/92/27/63/1446922763.db2.gz AKWMBISDBJEZNT-UHFFFAOYSA-N -1 0 327.323 2.648 20 30 EFEDRM Cc1cccc(C)c1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737390980 1446926905 /nfs/dbraw/zinc/92/69/05/1446926905.db2.gz VIPXHVGLIFQCFD-UHFFFAOYSA-N -1 0 337.412 2.625 20 30 EFEDRM N#Cc1nccnc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826388284 1446936081 /nfs/dbraw/zinc/93/60/81/1446936081.db2.gz QFIGYRAAZGUETE-UHFFFAOYSA-N -1 0 349.301 2.698 20 30 EFEDRM N#Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822818515 1446994234 /nfs/dbraw/zinc/99/42/34/1446994234.db2.gz BDGMZDATVMVFOY-SOFGYWHQSA-N -1 0 349.325 2.634 20 30 EFEDRM CC(C)(C)CN(CCC#N)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735603060 1447019213 /nfs/dbraw/zinc/01/92/13/1447019213.db2.gz WFSGCZFEAGLFNX-UHFFFAOYSA-N -1 0 328.420 2.507 20 30 EFEDRM C=C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819730051 1447026579 /nfs/dbraw/zinc/02/65/79/1447026579.db2.gz QZPIAVQFBWANJT-NSHDSACASA-N -1 0 336.399 2.579 20 30 EFEDRM Cn1cccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737611032 1447187261 /nfs/dbraw/zinc/18/72/61/1447187261.db2.gz AGVLTUDWADNHBC-UHFFFAOYSA-N -1 0 335.293 2.670 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737704471 1447274658 /nfs/dbraw/zinc/27/46/58/1447274658.db2.gz JAQLNQRNTSWJJQ-CVEARBPZSA-N -1 0 348.341 2.620 20 30 EFEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1cc(C#N)nc2ccccc21 ZINC000736822728 1447278622 /nfs/dbraw/zinc/27/86/22/1447278622.db2.gz RRJJPNQURQWFEO-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504848 1449240702 /nfs/dbraw/zinc/24/07/02/1449240702.db2.gz VIHNRCVHGXOSAU-MDWZMJQESA-N -1 0 347.334 2.987 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(F)c1 ZINC000823958112 1449246270 /nfs/dbraw/zinc/24/62/70/1449246270.db2.gz CJAAXFSUFYLHEJ-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccc(F)cc1 ZINC000822934648 1449486626 /nfs/dbraw/zinc/48/66/26/1449486626.db2.gz ATOUTJIFJUOMTL-XFXZXTDPSA-N -1 0 348.337 2.614 20 30 EFEDRM C[C@@H](OC(=O)c1ccccc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513108 1449588036 /nfs/dbraw/zinc/58/80/36/1449588036.db2.gz UXLNMSODQZVAFY-GFCCVEGCSA-N -1 0 349.350 2.687 20 30 EFEDRM N#CCOc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000737697009 1449699999 /nfs/dbraw/zinc/69/99/99/1449699999.db2.gz BQOTVMBOUXTYKM-UHFFFAOYSA-N -1 0 342.309 2.659 20 30 EFEDRM N#Cc1cccc(OCCCNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822837913 1449756518 /nfs/dbraw/zinc/75/65/18/1449756518.db2.gz YHKFKQRNNVORBG-UHFFFAOYSA-N -1 0 338.346 2.758 20 30 EFEDRM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)CC1 ZINC000735403027 1449844272 /nfs/dbraw/zinc/84/42/72/1449844272.db2.gz NZXQMVFDVTUWTB-UHFFFAOYSA-N -1 0 342.403 2.695 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2c3ccccc3C[C@@H]2C)o1 ZINC000820814186 1449862538 /nfs/dbraw/zinc/86/25/38/1449862538.db2.gz SJMBWMFLIHFHQN-JTQLQIEISA-N -1 0 337.387 2.987 20 30 EFEDRM N#Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822818516 1450008105 /nfs/dbraw/zinc/00/81/05/1450008105.db2.gz BDGMZDATVMVFOY-VURMDHGXSA-N -1 0 349.325 2.634 20 30 EFEDRM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCc2ccccc21 ZINC000738289107 1450034427 /nfs/dbraw/zinc/03/44/27/1450034427.db2.gz GPQQQEMLOCUNGL-UKTHLTGXSA-N -1 0 342.362 2.727 20 30 EFEDRM C[C@@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820322448 1450046222 /nfs/dbraw/zinc/04/62/22/1450046222.db2.gz STIKCSNMJJTCEI-ASCRHOAZSA-N -1 0 344.378 2.629 20 30 EFEDRM Fc1ccccc1C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822795898 1450072813 /nfs/dbraw/zinc/07/28/13/1450072813.db2.gz IYHRSQWRVDJCLT-UHFFFAOYSA-N -1 0 341.346 2.825 20 30 EFEDRM CCN(CC)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198816 1450196633 /nfs/dbraw/zinc/19/66/33/1450196633.db2.gz WMLWWQHCAUFVAY-UHFFFAOYSA-N -1 0 349.442 2.837 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=C1COc2ccc(F)cc21 ZINC000823498210 1450200063 /nfs/dbraw/zinc/20/00/63/1450200063.db2.gz HEQFQSAFEUBACR-JQIJEIRASA-N -1 0 348.337 2.981 20 30 EFEDRM C[C@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736118059 1450219205 /nfs/dbraw/zinc/21/92/05/1450219205.db2.gz RVMARWAIJAISJY-VIFPVBQESA-N -1 0 339.384 2.683 20 30 EFEDRM C=CC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735410054 1450252482 /nfs/dbraw/zinc/25/24/82/1450252482.db2.gz SIHQZRUBETYXAS-QMMMGPOBSA-N -1 0 338.318 2.554 20 30 EFEDRM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826403208 1450268754 /nfs/dbraw/zinc/26/87/54/1450268754.db2.gz MLNCCXTUJLMVIJ-SOFGYWHQSA-N -1 0 339.286 2.810 20 30 EFEDRM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(C#N)cc1 ZINC000822335299 1450329316 /nfs/dbraw/zinc/32/93/16/1450329316.db2.gz JQVQDIVNPRACTB-UHFFFAOYSA-N -1 0 341.378 2.629 20 30 EFEDRM CC(C)(C#N)CCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824059495 1450363401 /nfs/dbraw/zinc/36/34/01/1450363401.db2.gz YHIMNYMJUIIAON-UHFFFAOYSA-N -1 0 343.387 2.507 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737410120 1450375164 /nfs/dbraw/zinc/37/51/64/1450375164.db2.gz VCXRHQCLMCRSGX-CYBMUJFWSA-N -1 0 343.350 2.542 20 30 EFEDRM C=CCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823894935 1450438340 /nfs/dbraw/zinc/43/83/40/1450438340.db2.gz ZVUOJOPTJLFSIF-UHFFFAOYSA-N -1 0 336.739 2.723 20 30 EFEDRM C=CCOc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000819759365 1450439550 /nfs/dbraw/zinc/43/95/50/1450439550.db2.gz VIMRNINQGQQABY-UHFFFAOYSA-N -1 0 335.367 2.708 20 30 EFEDRM C=C[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883723 1450445252 /nfs/dbraw/zinc/44/52/52/1450445252.db2.gz ZAZDEUYCKFARNG-CQSZACIVSA-N -1 0 335.367 2.665 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826382061 1450447967 /nfs/dbraw/zinc/44/79/67/1450447967.db2.gz MTFFDHLCJZSDJA-DAXSKMNVSA-N -1 0 349.325 2.804 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120123763 712944255 /nfs/dbraw/zinc/94/42/55/712944255.db2.gz GUWWLJLQDCIPMH-UHFFFAOYSA-N -1 0 343.773 2.982 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000187087165 713054830 /nfs/dbraw/zinc/05/48/30/713054830.db2.gz XHJYQTMODQNOOM-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187086078 713054873 /nfs/dbraw/zinc/05/48/73/713054873.db2.gz ZFJQONGNQIKPBZ-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000187085853 713055156 /nfs/dbraw/zinc/05/51/56/713055156.db2.gz DOKGGHWHGVQUHQ-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(F)(F)F)c2)C(=O)O1 ZINC000254985862 713206987 /nfs/dbraw/zinc/20/69/87/713206987.db2.gz DTZXDBBHUPCCEM-GEXIGZQTSA-N -1 0 340.253 2.813 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000255037541 713339136 /nfs/dbraw/zinc/33/91/36/713339136.db2.gz ONDXNONEJDNDCT-DJWKRKHSSA-N -1 0 327.292 2.968 20 30 EFEDRM COc1ccc(F)cc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000023578698 713498954 /nfs/dbraw/zinc/49/89/54/713498954.db2.gz IFZAWHXDCCUMFH-LBPRGKRZSA-N -1 0 348.355 2.633 20 30 EFEDRM COC1(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CCCCCC1 ZINC000890841041 713516084 /nfs/dbraw/zinc/51/60/84/713516084.db2.gz HVYOVLGCJLOVCY-UHFFFAOYSA-N -1 0 349.456 2.850 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1C#N ZINC000890922977 713611491 /nfs/dbraw/zinc/61/14/91/713611491.db2.gz ZGEYWRWKGWTOBB-CQSZACIVSA-N -1 0 340.408 2.657 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000255093951 713687961 /nfs/dbraw/zinc/68/79/61/713687961.db2.gz JNFFMIPDFFEKES-KTKRTIGZSA-N -1 0 346.795 2.730 20 30 EFEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000892483955 717919445 /nfs/dbraw/zinc/91/94/45/717919445.db2.gz CYKLWCDMYDZRKB-QGZVFWFLSA-N -1 0 333.391 2.906 20 30 EFEDRM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc(O)cc1[O-] ZINC000255111021 713722440 /nfs/dbraw/zinc/72/24/40/713722440.db2.gz DZUKZBVYCOZNAD-BAQGIRSFSA-N -1 0 325.364 2.831 20 30 EFEDRM O=C(CCn1cccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048409091 713743331 /nfs/dbraw/zinc/74/33/31/713743331.db2.gz CGSGRHAJRDOFCG-UHFFFAOYSA-N -1 0 348.211 2.925 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000121201458 714168338 /nfs/dbraw/zinc/16/83/38/714168338.db2.gz ONBOKRBJJIRVOW-AWEZNQCLSA-N -1 0 347.390 2.803 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(C)cc2C)o1 ZINC000121413874 714695222 /nfs/dbraw/zinc/69/52/22/714695222.db2.gz FDDONMVKKVCAQZ-AWEZNQCLSA-N -1 0 326.352 2.544 20 30 EFEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000121433957 714733934 /nfs/dbraw/zinc/73/39/34/714733934.db2.gz LXSZVENRNFRMRR-HNNXBMFYSA-N -1 0 342.420 2.958 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cc(-c2ccccc2)n[nH]1 ZINC000078769512 714747901 /nfs/dbraw/zinc/74/79/01/714747901.db2.gz VQOTZIZTBKIIFG-UHFFFAOYSA-N -1 0 333.394 2.832 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1 ZINC000097103171 714866981 /nfs/dbraw/zinc/86/69/81/714866981.db2.gz RBDNCQJPFALIHR-UHFFFAOYSA-N -1 0 340.364 2.603 20 30 EFEDRM CCOCC(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000084852155 714954140 /nfs/dbraw/zinc/95/41/40/714954140.db2.gz MJJBQMLXSGKQFX-UHFFFAOYSA-N -1 0 342.236 2.501 20 30 EFEDRM O=C([N-]Cc1ccc(OCC(F)(F)F)nc1)C(F)(F)C(F)F ZINC000175984265 714962437 /nfs/dbraw/zinc/96/24/37/714962437.db2.gz AWURLDIQXWSZOO-UHFFFAOYSA-N -1 0 334.191 2.539 20 30 EFEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000066005468 718023839 /nfs/dbraw/zinc/02/38/39/718023839.db2.gz MHZRICRVCYCQTD-UHFFFAOYSA-N -1 0 338.454 2.992 20 30 EFEDRM N#Cc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000255398222 715098737 /nfs/dbraw/zinc/09/87/37/715098737.db2.gz OUVDMSFEIZKBKT-ALCCZGGFSA-N -1 0 348.402 2.992 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2OC)CCC1 ZINC000893430378 715331614 /nfs/dbraw/zinc/33/16/14/715331614.db2.gz BVUBCUAKDZLRIY-UHFFFAOYSA-N -1 0 343.832 2.900 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Br)cs2)C(=O)O1 ZINC000255496027 715356425 /nfs/dbraw/zinc/35/64/25/715356425.db2.gz FTMLDOQJJCIYQQ-ZZKXABKFSA-N -1 0 341.182 2.739 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000093241952 715482163 /nfs/dbraw/zinc/48/21/63/715482163.db2.gz QBPYTRPMJOUWBU-UHFFFAOYSA-N -1 0 346.817 2.889 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000909364263 715741810 /nfs/dbraw/zinc/74/18/10/715741810.db2.gz AOTUAGJKCLKZCP-NHYWBVRUSA-N -1 0 339.775 2.723 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000051897075 715802692 /nfs/dbraw/zinc/80/26/92/715802692.db2.gz YXBUCHXOZHGMBD-UHFFFAOYSA-N -1 0 341.820 2.960 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000909366955 715818575 /nfs/dbraw/zinc/81/85/75/715818575.db2.gz AMGNQUQXCFMCEY-AWEZNQCLSA-N -1 0 335.400 2.938 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1C ZINC000121954259 715844269 /nfs/dbraw/zinc/84/42/69/715844269.db2.gz BTNCPBALTSIMIZ-HNNXBMFYSA-N -1 0 330.432 2.763 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1N(C)C ZINC000125502767 715904814 /nfs/dbraw/zinc/90/48/14/715904814.db2.gz ZJDSDAAZNCZHNP-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM Cc1ccc(OC(F)F)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000255560755 715931483 /nfs/dbraw/zinc/93/14/83/715931483.db2.gz PPQAQTMXFXABJO-XVWMLYKFSA-N -1 0 336.290 2.825 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000125151463 715988767 /nfs/dbraw/zinc/98/87/67/715988767.db2.gz SILGQQRMHWKVBN-NSHDSACASA-N -1 0 344.714 2.604 20 30 EFEDRM CCC[C@H](C#N)NS(=O)(=O)c1ccc(Br)cc1F ZINC000161838395 716266877 /nfs/dbraw/zinc/26/68/77/716266877.db2.gz AZZUMAABOKGEDM-SECBINFHSA-N -1 0 335.198 2.559 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2 ZINC000125646090 716381964 /nfs/dbraw/zinc/38/19/64/716381964.db2.gz OVTWWOKYBMOJRI-OAHLLOKOSA-N -1 0 341.411 2.590 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC000125576028 716583606 /nfs/dbraw/zinc/58/36/06/716583606.db2.gz CMZDDUZUWMBOQM-CQSZACIVSA-N -1 0 331.372 2.922 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000052771760 716584488 /nfs/dbraw/zinc/58/44/88/716584488.db2.gz JACLUXQPACMKEJ-VHSXEESVSA-N -1 0 328.356 2.652 20 30 EFEDRM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)N2CCCCC2)c1 ZINC000052794347 716610413 /nfs/dbraw/zinc/61/04/13/716610413.db2.gz UCOQCAZVYNCXSH-UHFFFAOYSA-N -1 0 340.445 2.760 20 30 EFEDRM O=C(CCc1ccc(Cl)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795009 716610672 /nfs/dbraw/zinc/61/06/72/716610672.db2.gz MNSUHNBYZQOXDV-UHFFFAOYSA-N -1 0 330.837 2.960 20 30 EFEDRM C[C@H](Oc1ccccc1Cl)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794660 716611123 /nfs/dbraw/zinc/61/11/23/716611123.db2.gz NUHKXRXHPWMYMG-NSHDSACASA-N -1 0 346.836 2.795 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000052795919 716623390 /nfs/dbraw/zinc/62/33/90/716623390.db2.gz VUOIRLMJQZZPNT-UHFFFAOYSA-N -1 0 336.335 2.741 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000176815739 716693918 /nfs/dbraw/zinc/69/39/18/716693918.db2.gz NQFXWIMOPMPKCK-UHFFFAOYSA-N -1 0 331.331 2.871 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000125583520 716698945 /nfs/dbraw/zinc/69/89/45/716698945.db2.gz UHSULGVOMCDTFU-CYBMUJFWSA-N -1 0 347.371 2.622 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCNC(=O)NC2CCCCC2)c1 ZINC000176827985 716716842 /nfs/dbraw/zinc/71/68/42/716716842.db2.gz KKCQGCHFIKNSBV-UHFFFAOYSA-N -1 0 344.415 2.614 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000176832336 716720322 /nfs/dbraw/zinc/72/03/22/716720322.db2.gz FNEISOROEOHFOF-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1 ZINC000125695977 716726458 /nfs/dbraw/zinc/72/64/58/716726458.db2.gz YUFXUWSCJIBBCW-VOIUYBSRSA-N -1 0 348.468 2.584 20 30 EFEDRM C#CC[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(C)(C)C ZINC000159767018 716740445 /nfs/dbraw/zinc/74/04/45/716740445.db2.gz ODTHUYPCWXJPBO-CQSZACIVSA-N -1 0 344.436 2.817 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1-c1ccc(C)cc1 ZINC000176833537 716752844 /nfs/dbraw/zinc/75/28/44/716752844.db2.gz PPWUBINDDZHLAC-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1F ZINC000105429587 717423458 /nfs/dbraw/zinc/42/34/58/717423458.db2.gz BKHHAPAPGDHREI-CQSZACIVSA-N -1 0 345.374 2.555 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000892456954 717600241 /nfs/dbraw/zinc/60/02/41/717600241.db2.gz ALTNNQKJRGCWPR-JTQLQIEISA-N -1 0 342.729 2.886 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ccn1 ZINC000892465023 717683658 /nfs/dbraw/zinc/68/36/58/717683658.db2.gz NMOCAQCGTCMNEP-LLVKDONJSA-N -1 0 327.306 2.729 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C ZINC000892465338 717686981 /nfs/dbraw/zinc/68/69/81/717686981.db2.gz QPPHIWXMFSJTMM-AWEZNQCLSA-N -1 0 330.432 2.927 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179517025 717763987 /nfs/dbraw/zinc/76/39/87/717763987.db2.gz PXSGROKUJKMRKG-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CN(C)C(=O)[C@@H]1CC[C@H](C/N=C\c2cc(Cl)cc(Cl)c2[O-])O1 ZINC000255836645 717790887 /nfs/dbraw/zinc/79/08/87/717790887.db2.gz JAJRNJGCLIMERM-GFPUHJSHSA-N -1 0 345.226 2.754 20 30 EFEDRM CCc1nn(C)cc1C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000181244814 718410559 /nfs/dbraw/zinc/41/05/59/718410559.db2.gz HIGLFVVVZWPYGY-ZDUSSCGKSA-N -1 0 334.379 2.978 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(F)(F)F)c2)C(=O)O1 ZINC000038477041 718956112 /nfs/dbraw/zinc/95/61/12/718956112.db2.gz DTZXDBBHUPCCEM-GJBLVYBDSA-N -1 0 340.253 2.813 20 30 EFEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000067003435 719187743 /nfs/dbraw/zinc/18/77/43/719187743.db2.gz MROSJFQSFZWYLP-NSHDSACASA-N -1 0 328.459 2.640 20 30 EFEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000067004250 719194408 /nfs/dbraw/zinc/19/44/08/719194408.db2.gz NBDKFQXTJHFXLE-MRVPVSSYSA-N -1 0 332.834 2.856 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CC1 ZINC000892842246 719230691 /nfs/dbraw/zinc/23/06/91/719230691.db2.gz DRHBXILKHHRTFW-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000323403986 719543306 /nfs/dbraw/zinc/54/33/06/719543306.db2.gz NYYAJNXEXTVVQX-UHFFFAOYSA-N -1 0 341.429 2.808 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000127431146 724599634 /nfs/dbraw/zinc/59/96/34/724599634.db2.gz VROLLSPINXNZEP-INIZCTEOSA-N -1 0 336.395 2.644 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122674565 719658226 /nfs/dbraw/zinc/65/82/26/719658226.db2.gz HJOLTYULIARFNQ-CQSZACIVSA-N -1 0 328.368 2.525 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000127306828 724615266 /nfs/dbraw/zinc/61/52/66/724615266.db2.gz XQUZSUSWLCJSEK-QGZVFWFLSA-N -1 0 336.395 2.644 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122901785 719989669 /nfs/dbraw/zinc/98/96/69/719989669.db2.gz GOWSXYSASRAREL-ONGXEEELSA-N -1 0 349.749 2.572 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893921867 720162651 /nfs/dbraw/zinc/16/26/51/720162651.db2.gz SODXPCVNKJHSRE-UHFFFAOYSA-N -1 0 329.350 2.864 20 30 EFEDRM N#C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000894005912 720218868 /nfs/dbraw/zinc/21/88/68/720218868.db2.gz NSRCUUQRHNZSKF-JTQLQIEISA-N -1 0 331.597 2.532 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cc1Cl ZINC000123648819 720850286 /nfs/dbraw/zinc/85/02/86/720850286.db2.gz CPZUGBVULHRFED-CMDGGOBGSA-N -1 0 346.795 2.942 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123851458 720865913 /nfs/dbraw/zinc/86/59/13/720865913.db2.gz AGTLGVJOKXEAQQ-NSHDSACASA-N -1 0 330.693 2.960 20 30 EFEDRM C[C@H](CN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000261733578 720900423 /nfs/dbraw/zinc/90/04/23/720900423.db2.gz NCKYZOPEAJGFMF-MRVPVSSYSA-N -1 0 329.278 2.761 20 30 EFEDRM O=C([O-])c1cc(C=NNc2cncc(Br)c2)ccc1O ZINC000777444439 721236290 /nfs/dbraw/zinc/23/62/90/721236290.db2.gz VWLRUEVVLNREDL-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC000124203300 721412721 /nfs/dbraw/zinc/41/27/21/721412721.db2.gz ZAMGWVDMCUKTCR-CQSZACIVSA-N -1 0 348.468 2.882 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000124252152 721445724 /nfs/dbraw/zinc/44/57/24/721445724.db2.gz LDAVXVZVBNKJIL-ZDUSSCGKSA-N -1 0 330.409 2.767 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F)cc1 ZINC000048422818 722100674 /nfs/dbraw/zinc/10/06/74/722100674.db2.gz ZSEZUHFHIAXQKM-UHFFFAOYSA-N -1 0 325.308 2.609 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)cc1 ZINC000048505639 722596268 /nfs/dbraw/zinc/59/62/68/722596268.db2.gz WHTXTIIJJUYXLD-UHFFFAOYSA-N -1 0 326.786 2.967 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccoc1 ZINC000917506910 728751514 /nfs/dbraw/zinc/75/15/14/728751514.db2.gz JUOQLVPMXFHDGG-LBPRGKRZSA-N -1 0 328.324 2.607 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCOC(C)C ZINC000917506786 728751521 /nfs/dbraw/zinc/75/15/21/728751521.db2.gz HQFONILHXQVQHH-CYBMUJFWSA-N -1 0 348.399 2.515 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccco1 ZINC000048519551 722609503 /nfs/dbraw/zinc/60/95/03/722609503.db2.gz WYJHECHORNMEQB-UHFFFAOYSA-N -1 0 330.159 2.736 20 30 EFEDRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519653 722610206 /nfs/dbraw/zinc/61/02/06/722610206.db2.gz HQNKHGGJSWPQLF-SSDOTTSWSA-N -1 0 338.248 2.846 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccoc1 ZINC000048519601 722610762 /nfs/dbraw/zinc/61/07/62/722610762.db2.gz BRIDTQJIQOOPRD-UHFFFAOYSA-N -1 0 330.159 2.736 20 30 EFEDRM O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048531221 722620451 /nfs/dbraw/zinc/62/04/51/722620451.db2.gz VHCIXAUTKXDFTG-VQHVLOKHSA-N -1 0 337.319 2.913 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OC(F)F)cc1 ZINC000126663871 722813129 /nfs/dbraw/zinc/81/31/29/722813129.db2.gz ALLQMHUDIVRSHW-HNNXBMFYSA-N -1 0 344.317 2.927 20 30 EFEDRM COCCN(CC#N)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894970287 723038991 /nfs/dbraw/zinc/03/89/91/723038991.db2.gz XQYRCRSBBQSJHX-UHFFFAOYSA-N -1 0 333.613 2.780 20 30 EFEDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(C#N)cc2Cl)C1 ZINC000895039825 723059943 /nfs/dbraw/zinc/05/99/43/723059943.db2.gz BLCMUYFLIYOYRS-ZDUSSCGKSA-N -1 0 331.725 2.859 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(OC(F)F)c1 ZINC000126819244 723204774 /nfs/dbraw/zinc/20/47/74/723204774.db2.gz VNFALYGCQIYLAQ-HNNXBMFYSA-N -1 0 344.317 2.927 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)oc2c1c(C)ccc2C ZINC000181270143 728808338 /nfs/dbraw/zinc/80/83/38/728808338.db2.gz NNQNIDXHVROXTG-UHFFFAOYSA-N -1 0 334.397 2.721 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1O ZINC000007353315 723432823 /nfs/dbraw/zinc/43/28/23/723432823.db2.gz JZFSXRMQYHMIIK-ZZXKWVIFSA-N -1 0 342.347 2.933 20 30 EFEDRM CC(C)Cc1ccc(CCC(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181283363 728827059 /nfs/dbraw/zinc/82/70/59/728827059.db2.gz SCIVLPIWCINICX-UHFFFAOYSA-N -1 0 336.457 2.567 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000181287651 728827806 /nfs/dbraw/zinc/82/78/06/728827806.db2.gz DGULQYAWRSSKEI-UHFFFAOYSA-N -1 0 344.392 2.842 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000181287301 728827922 /nfs/dbraw/zinc/82/79/22/728827922.db2.gz ONYDPJRETZNTRE-UHFFFAOYSA-N -1 0 344.392 2.842 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(F)c(F)c(F)c1 ZINC000727970121 723542354 /nfs/dbraw/zinc/54/23/54/723542354.db2.gz RARRVQYXFQLVQC-UHFFFAOYSA-N -1 0 335.310 2.985 20 30 EFEDRM C=C1CC(c2noc(C[N-]S(=O)(=O)c3ccc(Cl)s3)n2)C1 ZINC000896882497 723567436 /nfs/dbraw/zinc/56/74/36/723567436.db2.gz TZXGDBNZLAZQLU-UHFFFAOYSA-N -1 0 345.833 2.697 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc12 ZINC000728147944 723603624 /nfs/dbraw/zinc/60/36/24/723603624.db2.gz PFHFAIRFNGXEKC-CQSZACIVSA-N -1 0 340.383 2.557 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000728157198 723796161 /nfs/dbraw/zinc/79/61/61/723796161.db2.gz MFVDBCVVVZQCOD-KXFIGUGUSA-N -1 0 325.280 2.778 20 30 EFEDRM C[C@H](Oc1cccc(CN=Nc2cnc3ccccc3n2)c1)C(=O)[O-] ZINC000727255404 723874648 /nfs/dbraw/zinc/87/46/48/723874648.db2.gz BGXJGYGZPPGVMG-LBPRGKRZSA-N -1 0 336.351 2.928 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000909516607 724047784 /nfs/dbraw/zinc/04/77/84/724047784.db2.gz JYXCDTCXXYIUBL-UHFFFAOYSA-N -1 0 327.384 2.709 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C)cc1Cl ZINC000796810448 724049790 /nfs/dbraw/zinc/04/97/90/724049790.db2.gz AHVMPIFJGAGHPD-UHFFFAOYSA-N -1 0 328.821 2.566 20 30 EFEDRM CC(=O)c1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)s1 ZINC000025268200 724097256 /nfs/dbraw/zinc/09/72/56/724097256.db2.gz USZRNPNTZDYYGC-SNVBAGLBSA-N -1 0 348.405 2.749 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)s1 ZINC000728699614 724137449 /nfs/dbraw/zinc/13/74/49/724137449.db2.gz VPEVWMMFHQXFQU-VOTSOKGWSA-N -1 0 325.349 2.923 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCOC2 ZINC000728766825 724157572 /nfs/dbraw/zinc/15/75/72/724157572.db2.gz MHOWDVRQSULQAV-ZDUSSCGKSA-N -1 0 332.425 2.592 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000728766845 724157721 /nfs/dbraw/zinc/15/77/21/724157721.db2.gz NFRDUUSSIBQOTP-GOSISDBHSA-N -1 0 345.358 2.975 20 30 EFEDRM COc1cc(C=NNc2nc3ccccc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000728775744 724166259 /nfs/dbraw/zinc/16/62/59/724166259.db2.gz AZPUGGKABGYKBH-UHFFFAOYSA-N -1 0 341.327 2.642 20 30 EFEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000918535934 728886148 /nfs/dbraw/zinc/88/61/48/728886148.db2.gz NERUIKDYJBXSNV-UHFFFAOYSA-N -1 0 334.319 2.572 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2C)n1 ZINC000727626425 724249546 /nfs/dbraw/zinc/24/95/46/724249546.db2.gz BOZRXLNDYVHZIM-CYBMUJFWSA-N -1 0 325.393 2.743 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000121761561 724893188 /nfs/dbraw/zinc/89/31/88/724893188.db2.gz UMFORPAQIRXSQZ-HNNXBMFYSA-N -1 0 331.372 2.922 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000127363880 724974674 /nfs/dbraw/zinc/97/46/74/724974674.db2.gz GTMZAVKGIQYBJS-GFCCVEGCSA-N -1 0 344.802 2.759 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3c2COC3=O)ccc1Cl ZINC000918726400 728916818 /nfs/dbraw/zinc/91/68/18/728916818.db2.gz IUVSSBSYGJDFFR-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM C[C@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000729142115 725456688 /nfs/dbraw/zinc/45/66/88/725456688.db2.gz MPOHIWFPPKKZEW-LBPRGKRZSA-N -1 0 345.428 2.865 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCCCOc2ccccc2)c1)C(=O)[O-] ZINC000729147453 725460173 /nfs/dbraw/zinc/46/01/73/725460173.db2.gz CBWGIYNSPYANRN-OAHLLOKOSA-N -1 0 342.395 2.931 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cnc([C@H]2CCCO2)s1 ZINC000089963752 725596439 /nfs/dbraw/zinc/59/64/39/725596439.db2.gz GVNMZOBKDWOBKX-MRVPVSSYSA-N -1 0 344.439 2.750 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccnc(Cl)c1 ZINC000054428126 725875983 /nfs/dbraw/zinc/87/59/83/725875983.db2.gz SFEVOILJMFPXBB-UHFFFAOYSA-N -1 0 328.752 2.709 20 30 EFEDRM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(O)cc1O ZINC000263631847 726343636 /nfs/dbraw/zinc/34/36/36/726343636.db2.gz ZUTGSOUJBYPQEZ-UHFFFAOYSA-N -1 0 342.380 2.910 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000054488741 726354102 /nfs/dbraw/zinc/35/41/02/726354102.db2.gz RWCZZUOVTNZMQY-UHFFFAOYSA-N -1 0 340.382 2.853 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906963950 726833063 /nfs/dbraw/zinc/83/30/63/726833063.db2.gz LKSZPSGJJPJXDE-MRVPVSSYSA-N -1 0 335.784 2.810 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@]2(O)CCCc3ccccc32)c1 ZINC000731319569 726841163 /nfs/dbraw/zinc/84/11/63/726841163.db2.gz RPWUGDNWKSHNKU-FUDBJYBQSA-N -1 0 326.352 2.943 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCOCC2)nc1)c1nc2ccccc2o1 ZINC000915102877 726869778 /nfs/dbraw/zinc/86/97/78/726869778.db2.gz JXUQTWODFHBIPG-CQSZACIVSA-N -1 0 348.362 2.549 20 30 EFEDRM O=C([O-])COc1ccc(C=NOCc2ccccc2)cc1[N+](=O)[O-] ZINC000731558676 726894908 /nfs/dbraw/zinc/89/49/08/726894908.db2.gz FKRPTVYHORUSNN-UHFFFAOYSA-N -1 0 330.296 2.609 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1OCCC(C)C ZINC000129121385 726958259 /nfs/dbraw/zinc/95/82/59/726958259.db2.gz KJPYDSSZUOKBRQ-HNNXBMFYSA-N -1 0 344.411 2.721 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(OCC)ccc2ccccc21)C(=O)[O-] ZINC000907669775 726987483 /nfs/dbraw/zinc/98/74/83/726987483.db2.gz RCHRHBSNOSRMIQ-OAHLLOKOSA-N -1 0 343.379 2.624 20 30 EFEDRM CC(=O)c1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000915565396 727095966 /nfs/dbraw/zinc/09/59/66/727095966.db2.gz UJKGSRMJXDMHPM-CQSZACIVSA-N -1 0 342.376 2.687 20 30 EFEDRM N#CC1(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908179068 727114033 /nfs/dbraw/zinc/11/40/33/727114033.db2.gz GYORNRKITVASFV-JZLYGMAVSA-N -1 0 336.457 2.706 20 30 EFEDRM N#C[C@]1(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)CC2CCC1CC2 ZINC000908236868 727138917 /nfs/dbraw/zinc/13/89/17/727138917.db2.gz ZRJFEGNPGQPXNL-AEBIURJHSA-N -1 0 340.423 2.909 20 30 EFEDRM C#CCOc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908339515 727162387 /nfs/dbraw/zinc/16/23/87/727162387.db2.gz QCVIARUBTWXNEJ-UHFFFAOYSA-N -1 0 329.396 2.854 20 30 EFEDRM Cc1ccc(F)c2c1C(=N[N-]c1nc(-c3ccccc3)no1)C(=O)N2 ZINC000732711517 727194685 /nfs/dbraw/zinc/19/46/85/727194685.db2.gz CFASBAMXESALGM-UHFFFAOYSA-N -1 0 337.314 2.952 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(OCCC)c(OCCC)c1)C(=O)[O-] ZINC000908621107 727232612 /nfs/dbraw/zinc/23/26/12/727232612.db2.gz QLDKFZNNBDOYHD-CQSZACIVSA-N -1 0 348.399 2.862 20 30 EFEDRM C=CCN(C(=O)Nc1cnn(CC)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000908645857 727233901 /nfs/dbraw/zinc/23/39/01/727233901.db2.gz CQXOLPOWEVQWPX-INIZCTEOSA-N -1 0 342.399 2.619 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000908751083 727256606 /nfs/dbraw/zinc/25/66/06/727256606.db2.gz ISCRQKKXDJSNTK-SJORKVTESA-N -1 0 345.443 2.542 20 30 EFEDRM C=CCN(CC(F)(F)F)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000908758019 727258074 /nfs/dbraw/zinc/25/80/74/727258074.db2.gz XYBYXLBFJXBGGU-UHFFFAOYSA-N -1 0 340.301 2.916 20 30 EFEDRM CSc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000732859902 727261641 /nfs/dbraw/zinc/26/16/41/727261641.db2.gz IKEWDEGEYPELJY-VIFPVBQESA-N -1 0 336.394 2.800 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1SCC#N ZINC000732904666 727269784 /nfs/dbraw/zinc/26/97/84/727269784.db2.gz ROKBVGMYXAVFCN-GFCCVEGCSA-N -1 0 340.470 2.798 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1 ZINC000732902651 727270451 /nfs/dbraw/zinc/27/04/51/727270451.db2.gz NWPSYWXSUCQCPE-DOGVGXBMSA-N -1 0 347.421 2.974 20 30 EFEDRM C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908872343 727274617 /nfs/dbraw/zinc/27/46/17/727274617.db2.gz NHKZRTIAKPFTEP-ZDUSSCGKSA-N -1 0 338.201 2.885 20 30 EFEDRM C#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000908848410 727274828 /nfs/dbraw/zinc/27/48/28/727274828.db2.gz JDDKAKCQJNCFRY-CYBMUJFWSA-N -1 0 338.201 2.885 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000908853160 727275760 /nfs/dbraw/zinc/27/57/60/727275760.db2.gz CYDZORAVFGVIHM-JKSUJKDBSA-N -1 0 335.400 2.699 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000908920874 727283589 /nfs/dbraw/zinc/28/35/89/727283589.db2.gz XOTIYTBKTHZXGM-UHFFFAOYSA-N -1 0 347.415 2.575 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000908945972 727290960 /nfs/dbraw/zinc/29/09/60/727290960.db2.gz NFVKMNUQVPXODR-JTQLQIEISA-N -1 0 325.434 2.659 20 30 EFEDRM C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909004949 727306351 /nfs/dbraw/zinc/30/63/51/727306351.db2.gz JFXZOGCAECOZMO-CZUORRHYSA-N -1 0 331.412 2.654 20 30 EFEDRM C#CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909027500 727306764 /nfs/dbraw/zinc/30/67/64/727306764.db2.gz LSDJAJVPPGWHFK-GFCCVEGCSA-N -1 0 328.290 2.544 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1Cc1ccccc1 ZINC000129251496 727314549 /nfs/dbraw/zinc/31/45/49/727314549.db2.gz QOMVMOFPONQFQD-SFHVURJKSA-N -1 0 335.407 2.754 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000909101922 727323009 /nfs/dbraw/zinc/32/30/09/727323009.db2.gz WWLMEDGWSQYQGL-GFCCVEGCSA-N -1 0 330.306 2.615 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCC1CC(OC(C)(C)C)C1)C(=O)[O-] ZINC000909202141 727343502 /nfs/dbraw/zinc/34/35/02/727343502.db2.gz RPVHEAQSAPTBAT-JXQTWKCFSA-N -1 0 326.437 2.689 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])OCC ZINC000909243339 727346580 /nfs/dbraw/zinc/34/65/80/727346580.db2.gz YOYMAUBIOJAUMH-IRXDYDNUSA-N -1 0 333.428 2.726 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC000909716337 727366315 /nfs/dbraw/zinc/36/63/15/727366315.db2.gz QJHIXVDOAVHUMO-SNVBAGLBSA-N -1 0 341.289 2.502 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cn(CC(C)C)nc1C(F)F)C(=O)[O-] ZINC000909717383 727368018 /nfs/dbraw/zinc/36/80/18/727368018.db2.gz ZDSMICBQSRXUMP-LLVKDONJSA-N -1 0 329.347 2.626 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OCCOC)cc1Cl)C(=O)[O-] ZINC000909717103 727368158 /nfs/dbraw/zinc/36/81/58/727368158.db2.gz WTIAZSRKXMCEHC-CQSZACIVSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)C(=O)[O-] ZINC000909718869 727368250 /nfs/dbraw/zinc/36/82/50/727368250.db2.gz UKDAQDOASIKURI-QGZVFWFLSA-N -1 0 341.411 2.697 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909767839 727373217 /nfs/dbraw/zinc/37/32/17/727373217.db2.gz QVYZRJBMFWCTOF-GWCFXTLKSA-N -1 0 345.317 2.738 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909767846 727373305 /nfs/dbraw/zinc/37/33/05/727373305.db2.gz QVYZRJBMFWCTOF-ZWNOBZJWSA-N -1 0 345.317 2.738 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000909767796 727373316 /nfs/dbraw/zinc/37/33/16/727373316.db2.gz QMVXKNBJWUQTAI-LBPRGKRZSA-N -1 0 338.429 2.576 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC000909769727 727373537 /nfs/dbraw/zinc/37/35/37/727373537.db2.gz BLALOFBQBQYKFF-MRXNPFEDSA-N -1 0 348.443 2.839 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909772616 727373665 /nfs/dbraw/zinc/37/36/65/727373665.db2.gz SYFVTAZQVPQVBD-ZWNOBZJWSA-N -1 0 345.317 2.581 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909816510 727383175 /nfs/dbraw/zinc/38/31/75/727383175.db2.gz BBXWQWULNSGZGX-ZSZQSSIHSA-N -1 0 333.428 2.663 20 30 EFEDRM C=CCC1(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCOCC1 ZINC000909962119 727399558 /nfs/dbraw/zinc/39/95/58/727399558.db2.gz VOVKRDBNTWWKRI-UHFFFAOYSA-N -1 0 342.395 2.581 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000910052941 727406071 /nfs/dbraw/zinc/40/60/71/727406071.db2.gz KPONKCKBNZPYNZ-MRXNPFEDSA-N -1 0 325.364 2.592 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910052483 727406100 /nfs/dbraw/zinc/40/61/00/727406100.db2.gz ZFQGBARHRRLUKH-GFCCVEGCSA-N -1 0 344.194 2.745 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000910053919 727406132 /nfs/dbraw/zinc/40/61/32/727406132.db2.gz ZZCFUXJZQDBUOP-CYBMUJFWSA-N -1 0 328.195 2.909 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000910054916 727406143 /nfs/dbraw/zinc/40/61/43/727406143.db2.gz ZTTGTIDJEZDJHD-HNNXBMFYSA-N -1 0 342.782 2.972 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910054420 727406147 /nfs/dbraw/zinc/40/61/47/727406147.db2.gz NQSPZFOUXFJKNN-OLZOCXBDSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054784 727406175 /nfs/dbraw/zinc/40/61/75/727406175.db2.gz SOPZOIVQFWAHEW-ZWNOBZJWSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910054776 727406183 /nfs/dbraw/zinc/40/61/83/727406183.db2.gz SMUZEKXJHHEUAD-TVQRCGJNSA-N -1 0 328.195 2.765 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000910145121 727415787 /nfs/dbraw/zinc/41/57/87/727415787.db2.gz PXZNOJXSMIJOGW-LBPRGKRZSA-N -1 0 337.466 2.855 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000028080223 727417179 /nfs/dbraw/zinc/41/71/79/727417179.db2.gz ARMFPQCVMRNVQJ-OCCSQVGLSA-N -1 0 344.392 2.639 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)C(=O)[O-] ZINC000910288615 727428134 /nfs/dbraw/zinc/42/81/34/727428134.db2.gz YONRRHAMAXDGQC-KRWDZBQOSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910293532 727430922 /nfs/dbraw/zinc/43/09/22/727430922.db2.gz JRGMQEWMGNWZMW-RYUDHWBXSA-N -1 0 332.183 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC000910294646 727431155 /nfs/dbraw/zinc/43/11/55/727431155.db2.gz RGUNILXGAPIDIU-MRVPVSSYSA-N -1 0 343.355 2.722 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)OCC ZINC000910383800 727437813 /nfs/dbraw/zinc/43/78/13/727437813.db2.gz UXTAOXJZWCIGRI-QGZVFWFLSA-N -1 0 347.411 2.649 20 30 EFEDRM C=CCOCCCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910732603 727460250 /nfs/dbraw/zinc/46/02/50/727460250.db2.gz QUAQREGUCLEPJB-GFCCVEGCSA-N -1 0 338.429 2.796 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1)OCC ZINC000910776810 727464792 /nfs/dbraw/zinc/46/47/92/727464792.db2.gz YWQHTFBVYPMFKF-NVXWUHKLSA-N -1 0 335.400 2.651 20 30 EFEDRM C#CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910935317 727471034 /nfs/dbraw/zinc/47/10/34/727471034.db2.gz HCDBCHMXXOYMEW-CYBMUJFWSA-N -1 0 329.274 2.631 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cn(CCOC)c2ccccc12)C(=O)[O-] ZINC000910914098 727471647 /nfs/dbraw/zinc/47/16/47/727471647.db2.gz HKRKCIBDAKJNMW-INIZCTEOSA-N -1 0 344.411 2.827 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(=O)[O-] ZINC000910915027 727471758 /nfs/dbraw/zinc/47/17/58/727471758.db2.gz SREHFKLGLLIFQR-INIZCTEOSA-N -1 0 344.411 2.503 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(=O)[O-] ZINC000910915028 727471806 /nfs/dbraw/zinc/47/18/06/727471806.db2.gz SREHFKLGLLIFQR-MRXNPFEDSA-N -1 0 344.411 2.503 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2)C(=O)[O-] ZINC000910914705 727471823 /nfs/dbraw/zinc/47/18/23/727471823.db2.gz NFKRQRWAFRQOCU-BXUZGUMPSA-N -1 0 333.384 2.558 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)C(=O)[O-] ZINC000910915445 727471917 /nfs/dbraw/zinc/47/19/17/727471917.db2.gz ZQZCVHCENPBVCR-NSHDSACASA-N -1 0 343.326 2.836 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)[O-] ZINC000910916839 727472029 /nfs/dbraw/zinc/47/20/29/727472029.db2.gz IZEDJPUSRKPMPM-HNNXBMFYSA-N -1 0 327.384 2.626 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1cccc(OC)c1Cl)C(=O)[O-] ZINC000910923566 727472274 /nfs/dbraw/zinc/47/22/74/727472274.db2.gz SYLBZGRCRXEBIU-LBPRGKRZSA-N -1 0 325.792 2.817 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)N(CC)CC)cc1)C(=O)[O-] ZINC000910924855 727472311 /nfs/dbraw/zinc/47/23/11/727472311.db2.gz FLZFCUAWYIKPQS-INIZCTEOSA-N -1 0 346.427 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCN(c2ccccc2F)C1)C(=O)[O-] ZINC000910924851 727472374 /nfs/dbraw/zinc/47/23/74/727472374.db2.gz FKZQRPRBRDHRQY-DZGCQCFKSA-N -1 0 334.391 2.578 20 30 EFEDRM N#CCc1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000911037381 727488411 /nfs/dbraw/zinc/48/84/11/727488411.db2.gz YYWXZERKCAPVTR-CYBMUJFWSA-N -1 0 341.392 2.537 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911060639 727492484 /nfs/dbraw/zinc/49/24/84/727492484.db2.gz DMACSOUBXDEGBM-CQSZACIVSA-N -1 0 345.317 2.930 20 30 EFEDRM C=CCC(CC=C)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000911312002 727527248 /nfs/dbraw/zinc/52/72/48/727527248.db2.gz VZNCCRMGNBYBTM-UHFFFAOYSA-N -1 0 343.427 2.587 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000129361400 727579235 /nfs/dbraw/zinc/57/92/35/727579235.db2.gz OTSOCNWOIODAKC-KRWDZBQOSA-N -1 0 339.370 2.834 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000911748863 727592777 /nfs/dbraw/zinc/59/27/77/727592777.db2.gz VVRISJWBVZVZRY-UHFFFAOYSA-N -1 0 342.399 2.776 20 30 EFEDRM C=C1CCC(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)CC1 ZINC000911770471 727596060 /nfs/dbraw/zinc/59/60/60/727596060.db2.gz SIUHRXLROIGFSE-UHFFFAOYSA-N -1 0 334.441 2.841 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccccc1SCC#N ZINC000733061063 727636896 /nfs/dbraw/zinc/63/68/96/727636896.db2.gz GBTUHPPTQLPADC-UHFFFAOYSA-N -1 0 340.470 2.798 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)CC(CC)CC)cc1 ZINC000733062222 727637529 /nfs/dbraw/zinc/63/75/29/727637529.db2.gz VHEDHUCAEVDXOY-UHFFFAOYSA-N -1 0 325.430 2.747 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1ccccc1C(=O)[O-] ZINC000915926058 727640775 /nfs/dbraw/zinc/64/07/75/727640775.db2.gz WJZVDDAWWHROJI-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(CC(=O)[O-])cc1 ZINC000915969485 727643775 /nfs/dbraw/zinc/64/37/75/727643775.db2.gz SXNCPIKZDPGNRF-UHFFFAOYSA-N -1 0 349.394 2.945 20 30 EFEDRM COc1cc(C=NNCc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000915976509 727644424 /nfs/dbraw/zinc/64/44/24/727644424.db2.gz LKEQBHUJFBAWDB-UHFFFAOYSA-N -1 0 337.282 2.711 20 30 EFEDRM COc1cc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000915988809 727645992 /nfs/dbraw/zinc/64/59/92/727645992.db2.gz IBEXKESRWFEAEW-MKMNVTDBSA-N -1 0 343.291 2.939 20 30 EFEDRM Cc1csc([C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(F)(F)F)n1 ZINC000915986616 727646058 /nfs/dbraw/zinc/64/60/58/727646058.db2.gz WIZQISURQBEMTE-QMMMGPOBSA-N -1 0 341.380 2.524 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000916156501 727661497 /nfs/dbraw/zinc/66/14/97/727661497.db2.gz CTWOJQZQYCAGQR-TWGQIWQCSA-N -1 0 327.292 2.954 20 30 EFEDRM CCN(CCO)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000916240358 727668270 /nfs/dbraw/zinc/66/82/70/727668270.db2.gz GXBMBIYJCPGQTA-UHFFFAOYSA-N -1 0 341.411 2.958 20 30 EFEDRM CN(CCO)c1ccc(C=[NH+][N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000916259967 727670047 /nfs/dbraw/zinc/67/00/47/727670047.db2.gz LULGZJDTCVLMSX-UHFFFAOYSA-N -1 0 347.802 2.913 20 30 EFEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1cccc(OCC(=O)[O-])c1 ZINC000916249323 727671191 /nfs/dbraw/zinc/67/11/91/727671191.db2.gz CTGLYHSYINZVHD-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CCCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OCC ZINC000916282442 727673545 /nfs/dbraw/zinc/67/35/45/727673545.db2.gz GNADJDOSOWKDHY-UHFFFAOYSA-N -1 0 345.403 2.909 20 30 EFEDRM Cc1nnc([S-])n(N=CC(c2ccccc2)c2ccccc2)c1=O ZINC000916303718 727675126 /nfs/dbraw/zinc/67/51/26/727675126.db2.gz NWDUPZPUCHGPDI-UHFFFAOYSA-N -1 0 336.420 2.901 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(OCCC(C)C)cc2)c1=O ZINC000916304134 727675172 /nfs/dbraw/zinc/67/51/72/727675172.db2.gz ZRUFIUGUNCBWHM-UHFFFAOYSA-N -1 0 332.429 2.543 20 30 EFEDRM Cc1sc2ncn(N=Cc3ccccc3C(=O)[O-])c(=O)c2c1C ZINC000916310929 727676042 /nfs/dbraw/zinc/67/60/42/727676042.db2.gz QTDJVZOVTBZJJK-UHFFFAOYSA-N -1 0 327.365 2.655 20 30 EFEDRM COc1ccc(-c2nc(SC[C@H](O)C(C)C)[n-]c(=O)c2C#N)cc1 ZINC000916494764 727691381 /nfs/dbraw/zinc/69/13/81/727691381.db2.gz SXHQYZDBPDJWFU-AWEZNQCLSA-N -1 0 345.424 2.838 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000916916806 727741625 /nfs/dbraw/zinc/74/16/25/727741625.db2.gz CGASEQDNRYGVIM-OAHLLOKOSA-N -1 0 336.347 2.774 20 30 EFEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000916927586 727741891 /nfs/dbraw/zinc/74/18/91/727741891.db2.gz XQXKANSDLHWFBN-LBPRGKRZSA-N -1 0 328.393 2.897 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000916947258 727745356 /nfs/dbraw/zinc/74/53/56/727745356.db2.gz XSPOCLTZCRPDFQ-AWEZNQCLSA-N -1 0 344.802 2.681 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000917002666 727753669 /nfs/dbraw/zinc/75/36/69/727753669.db2.gz NJAYTICDPLQLRD-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000156309346 727872708 /nfs/dbraw/zinc/87/27/08/727872708.db2.gz WMIOYZKVOFUXSZ-UHFFFAOYSA-N -1 0 348.355 2.529 20 30 EFEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000054802628 727880452 /nfs/dbraw/zinc/88/04/52/727880452.db2.gz CIZSPJMQNSHBEE-UHFFFAOYSA-N -1 0 348.424 2.767 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c1 ZINC000070828593 727894176 /nfs/dbraw/zinc/89/41/76/727894176.db2.gz MXRNVPHGJNUSKK-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000156565016 727929988 /nfs/dbraw/zinc/92/99/88/727929988.db2.gz YHXWLXFWDHWCCH-CQSZACIVSA-N -1 0 337.310 2.702 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)CC(=C)C)cc2[n-]c1=S ZINC000183045562 727944404 /nfs/dbraw/zinc/94/44/04/727944404.db2.gz SSRCQKZJEDZTQQ-UHFFFAOYSA-N -1 0 329.425 2.519 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)NC3CC3)s2)o1 ZINC000129604469 727945328 /nfs/dbraw/zinc/94/53/28/727945328.db2.gz QBFNHXZMIIWHAX-NSHDSACASA-N -1 0 329.381 2.621 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000183132771 727969607 /nfs/dbraw/zinc/96/96/07/727969607.db2.gz WUBQNNHPYBLSQW-LBPRGKRZSA-N -1 0 334.401 2.556 20 30 EFEDRM COCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000045099726 727972507 /nfs/dbraw/zinc/97/25/07/727972507.db2.gz BPJOXGBJYPUHLQ-UHFFFAOYSA-N -1 0 337.372 2.807 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000183136848 727975249 /nfs/dbraw/zinc/97/52/49/727975249.db2.gz RCATUPBAOOQEAB-LBPRGKRZSA-N -1 0 327.365 2.650 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000183136541 727975372 /nfs/dbraw/zinc/97/53/72/727975372.db2.gz XJKLJGMDTPGBSV-GFCCVEGCSA-N -1 0 344.392 2.981 20 30 EFEDRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)s1 ZINC000058067200 728136645 /nfs/dbraw/zinc/13/66/45/728136645.db2.gz KGOZXFKAZWQKJT-UHFFFAOYSA-N -1 0 346.474 2.508 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000058073060 728137058 /nfs/dbraw/zinc/13/70/58/728137058.db2.gz QYKYNAQWIUNAAU-UHFFFAOYSA-N -1 0 347.440 2.899 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1[N+](=O)[O-] ZINC000058079181 728140441 /nfs/dbraw/zinc/14/04/41/728140441.db2.gz ZXMFHTOUDWOXQE-UHFFFAOYSA-N -1 0 326.374 2.870 20 30 EFEDRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058112941 728144427 /nfs/dbraw/zinc/14/44/27/728144427.db2.gz HIHNVOZMMRCALN-CYBMUJFWSA-N -1 0 331.397 2.874 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000058113301 728144579 /nfs/dbraw/zinc/14/45/79/728144579.db2.gz PNDKGNQUDSFXKV-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058151050 728146623 /nfs/dbraw/zinc/14/66/23/728146623.db2.gz COYBTKCIYNZFMH-UHFFFAOYSA-N -1 0 342.779 2.903 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000046708804 728298468 /nfs/dbraw/zinc/29/84/68/728298468.db2.gz NIPZOCJIJCROQH-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927658 728325607 /nfs/dbraw/zinc/32/56/07/728325607.db2.gz IMFXOLALZJVPFZ-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000060765391 728421019 /nfs/dbraw/zinc/42/10/19/728421019.db2.gz WBSBXCOOXDNUGF-VIFPVBQESA-N -1 0 339.392 2.625 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2c(C)nn(C)c2C)s1 ZINC000060766033 728421541 /nfs/dbraw/zinc/42/15/41/728421541.db2.gz HNTUTGBGKWHTGH-SECBINFHSA-N -1 0 341.458 2.856 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1F ZINC000076839200 728553923 /nfs/dbraw/zinc/55/39/23/728553923.db2.gz RDWPGHDKLXEWRH-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c(=O)[nH]1 ZINC000062673882 728595976 /nfs/dbraw/zinc/59/59/76/728595976.db2.gz MCPKWJIRSJKANZ-UHFFFAOYSA-N -1 0 342.376 2.530 20 30 EFEDRM C=C1CCC(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)CC1 ZINC000913557573 728639707 /nfs/dbraw/zinc/63/97/07/728639707.db2.gz BVAMTFDRWGMKQQ-OAHLLOKOSA-N -1 0 326.400 2.657 20 30 EFEDRM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1Br ZINC000173956319 728642843 /nfs/dbraw/zinc/64/28/43/728642843.db2.gz DIZRHGQAXXXNND-DRDHIDPGSA-N -1 0 349.180 2.986 20 30 EFEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000173982010 728644371 /nfs/dbraw/zinc/64/43/71/728644371.db2.gz VCBZLLPWDYGTAL-CQSZACIVSA-N -1 0 344.802 2.681 20 30 EFEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NC(C)C)c2)cs1 ZINC000173983664 728644599 /nfs/dbraw/zinc/64/45/99/728644599.db2.gz UPVDDAZPGYVSBX-AWEZNQCLSA-N -1 0 327.409 2.966 20 30 EFEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000130627163 728952140 /nfs/dbraw/zinc/95/21/40/728952140.db2.gz GLOTWZOUNLHJMO-LLVKDONJSA-N -1 0 338.791 2.594 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)cc1 ZINC000069545539 728974661 /nfs/dbraw/zinc/97/46/61/728974661.db2.gz BTWPPHIRTVMFGR-UHFFFAOYSA-N -1 0 326.377 2.935 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000154924614 728987515 /nfs/dbraw/zinc/98/75/15/728987515.db2.gz UZZWHBILPHNEKS-UHFFFAOYSA-N -1 0 348.362 2.883 20 30 EFEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cccnc2)ccc1Cl ZINC000069572782 729004620 /nfs/dbraw/zinc/00/46/20/729004620.db2.gz IWDZOOAWCVEYPM-UHFFFAOYSA-N -1 0 340.788 2.768 20 30 EFEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604898 729047285 /nfs/dbraw/zinc/04/72/85/729047285.db2.gz NYTMZPBRPNZLGE-WCBMZHEXSA-N -1 0 337.319 2.776 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2sccc2C)cc1 ZINC000155029389 729057449 /nfs/dbraw/zinc/05/74/49/729057449.db2.gz IKJDTQKIEAWYHG-AWEZNQCLSA-N -1 0 328.393 2.704 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2sccc2C)cc1 ZINC000155029276 729057466 /nfs/dbraw/zinc/05/74/66/729057466.db2.gz IKJDTQKIEAWYHG-CQSZACIVSA-N -1 0 328.393 2.704 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)c2)cc1 ZINC000155030119 729057634 /nfs/dbraw/zinc/05/76/34/729057634.db2.gz OMMWXYUWTSZSBA-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc(C)c2)cc1 ZINC000155034714 729058903 /nfs/dbraw/zinc/05/89/03/729058903.db2.gz WNGODSJNUVHKNZ-SFHVURJKSA-N -1 0 336.391 2.951 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)c1 ZINC000069615709 729060589 /nfs/dbraw/zinc/06/05/89/729060589.db2.gz PLFKXUHQQBWEES-UHFFFAOYSA-N -1 0 326.377 2.935 20 30 EFEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069621910 729074079 /nfs/dbraw/zinc/07/40/79/729074079.db2.gz UHYVNRSROKXJJH-UHFFFAOYSA-N -1 0 332.303 2.737 20 30 EFEDRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000069641275 729100512 /nfs/dbraw/zinc/10/05/12/729100512.db2.gz QUZMPRKDRKZOHT-UHFFFAOYSA-N -1 0 336.413 2.797 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000919958375 729116720 /nfs/dbraw/zinc/11/67/20/729116720.db2.gz DNLURDVEGPDHFL-QGZVFWFLSA-N -1 0 338.392 2.866 20 30 EFEDRM Cc1nn(C)c(C)c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000920105859 729142578 /nfs/dbraw/zinc/14/25/78/729142578.db2.gz GXZJRDHHLQEAFQ-INIZCTEOSA-N -1 0 348.406 2.961 20 30 EFEDRM CCOC(=O)[C@H](Cc1ccccc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000920175081 729157451 /nfs/dbraw/zinc/15/74/51/729157451.db2.gz SYIXFXBCXMGYIE-QUYZQLMHSA-N -1 0 342.351 2.894 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)nc1 ZINC000181881881 729252271 /nfs/dbraw/zinc/25/22/71/729252271.db2.gz RIJOXYCQHPXYDH-UHFFFAOYSA-N -1 0 328.434 2.646 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])[C@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC000069831971 729253589 /nfs/dbraw/zinc/25/35/89/729253589.db2.gz SYFBJBZNVMTPSW-GUYCJALGSA-N -1 0 326.377 2.800 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])[C@@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC000069831976 729253601 /nfs/dbraw/zinc/25/36/01/729253601.db2.gz SYFBJBZNVMTPSW-CXAGYDPISA-N -1 0 326.377 2.800 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)c(F)c1 ZINC000921430358 729456239 /nfs/dbraw/zinc/45/62/39/729456239.db2.gz SJLNACXRTYYHBT-OAHLLOKOSA-N -1 0 349.362 2.661 20 30 EFEDRM CC#CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000175285497 729492281 /nfs/dbraw/zinc/49/22/81/729492281.db2.gz VTEZXOOLUYMCPG-UHFFFAOYSA-N -1 0 335.406 2.729 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000175686956 729516378 /nfs/dbraw/zinc/51/63/78/729516378.db2.gz DAYCPQWAOJETBN-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179738124 729619521 /nfs/dbraw/zinc/61/95/21/729619521.db2.gz SXATYCCKTWXMKH-UHFFFAOYSA-N -1 0 344.392 2.700 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c1 ZINC000068335818 729666224 /nfs/dbraw/zinc/66/62/24/729666224.db2.gz LONXNAXYGSXGTH-JTQLQIEISA-N -1 0 327.402 2.785 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000068335984 729666328 /nfs/dbraw/zinc/66/63/28/729666328.db2.gz KHCRWHSHYGFDIZ-JTQLQIEISA-N -1 0 336.413 2.653 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc1OC ZINC000068335814 729666359 /nfs/dbraw/zinc/66/63/59/729666359.db2.gz FZWFMMGDMVPNKS-SNVBAGLBSA-N -1 0 327.402 2.785 20 30 EFEDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000068490741 729705542 /nfs/dbraw/zinc/70/55/42/729705542.db2.gz SFBZBPUTPUWJQF-LBPRGKRZSA-N -1 0 329.418 2.936 20 30 EFEDRM C#CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000068718602 729743844 /nfs/dbraw/zinc/74/38/44/729743844.db2.gz GGMYOXVECVMHCP-UHFFFAOYSA-N -1 0 348.811 2.504 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000180808757 729768906 /nfs/dbraw/zinc/76/89/06/729768906.db2.gz AHCXTQXKNBKYSV-UHFFFAOYSA-N -1 0 341.816 2.541 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001465106395 804078550 /nfs/dbraw/zinc/07/85/50/804078550.db2.gz LHCVVFHLDRJIBT-MNOVXSKESA-N -1 0 349.861 2.583 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001465108483 804100096 /nfs/dbraw/zinc/10/00/96/804100096.db2.gz SGABZRWEIGMJPV-HZPDHXFCSA-N -1 0 337.441 2.648 20 30 EFEDRM C#CCOc1ccc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC000776646879 939090373 /nfs/dbraw/zinc/09/03/73/939090373.db2.gz QDPYULMSFZIFQE-UHFFFAOYSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000780569168 939133094 /nfs/dbraw/zinc/13/30/94/939133094.db2.gz SBANFBIQHOHSNX-INIZCTEOSA-N -1 0 330.384 2.854 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000780575637 939136702 /nfs/dbraw/zinc/13/67/02/939136702.db2.gz DVSCOSSXJGHXBW-HZPDHXFCSA-N -1 0 325.368 2.824 20 30 EFEDRM C=C(Br)CNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000797714498 939174535 /nfs/dbraw/zinc/17/45/35/939174535.db2.gz CSSGZKVWNHXELM-AWEZNQCLSA-N -1 0 341.205 2.584 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000797743642 939206014 /nfs/dbraw/zinc/20/60/14/939206014.db2.gz IMSBDMGVMKBMHA-MRXNPFEDSA-N -1 0 341.367 2.984 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797744610 939206860 /nfs/dbraw/zinc/20/68/60/939206860.db2.gz UTDUNTGWQKTSII-IBGZPJMESA-N -1 0 338.363 2.820 20 30 EFEDRM C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000871644540 939259943 /nfs/dbraw/zinc/25/99/43/939259943.db2.gz IROOTKLNIBUORG-CYBMUJFWSA-N -1 0 342.317 2.934 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)c1ccccc1 ZINC000929045830 939801621 /nfs/dbraw/zinc/80/16/21/939801621.db2.gz SBFAPJQMABIKRU-IKGGRYGDSA-N -1 0 346.427 2.873 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000322407784 970883566 /nfs/dbraw/zinc/88/35/66/970883566.db2.gz RAZZTLYQQOVQCD-UHFFFAOYSA-N -1 0 328.349 2.958 20 30 EFEDRM Cc1cc(Br)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001611125400 970901616 /nfs/dbraw/zinc/90/16/16/970901616.db2.gz HJVHKEKRUZQXIL-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM O=C([O-])CCNN=Cc1cc(C(F)(F)F)ccc1Br ZINC001611454581 971060459 /nfs/dbraw/zinc/06/04/59/971060459.db2.gz USMHONYIRUJMMC-UHFFFAOYSA-N -1 0 339.111 2.866 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(C3CCCC3)s2)o1 ZINC000822424148 946085723 /nfs/dbraw/zinc/08/57/23/946085723.db2.gz SDAGOAQQEIUCGE-UHFFFAOYSA-N -1 0 344.404 2.723 20 30 EFEDRM C#C[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001602673504 971240340 /nfs/dbraw/zinc/24/03/40/971240340.db2.gz VNUFHORNINJEQU-TVQRCGJNSA-N -1 0 326.755 2.516 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(Cc2cccc(OC)c2)CCCCC1 ZINC001602682094 971265829 /nfs/dbraw/zinc/26/58/29/971265829.db2.gz GAVLOHYTLVYFGF-UHFFFAOYSA-N -1 0 343.423 2.735 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCOc1ccc(Cl)cc1Cl ZINC001602682372 971268812 /nfs/dbraw/zinc/26/88/12/971268812.db2.gz OLHOIHGHVSPXER-UHFFFAOYSA-N -1 0 344.194 2.699 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001602682865 971271175 /nfs/dbraw/zinc/27/11/75/971271175.db2.gz WAMVDCOUZQISCW-UHFFFAOYSA-N -1 0 333.815 2.989 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC001602684308 971280159 /nfs/dbraw/zinc/28/01/59/971280159.db2.gz VGIRQDKEACTMDW-GFCCVEGCSA-N -1 0 338.816 2.606 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(CC)ccc1Br ZINC001602688107 971288565 /nfs/dbraw/zinc/28/85/65/971288565.db2.gz CFRRGSGPYGKSSH-UHFFFAOYSA-N -1 0 339.189 2.563 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001602688286 971289591 /nfs/dbraw/zinc/28/95/91/971289591.db2.gz IBDFNJMHFFLUOL-GFCCVEGCSA-N -1 0 332.253 2.811 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001602691220 971293247 /nfs/dbraw/zinc/29/32/47/971293247.db2.gz CBGXKIRWZMDXPW-UHFFFAOYSA-N -1 0 344.798 2.908 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001602691477 971295579 /nfs/dbraw/zinc/29/55/79/971295579.db2.gz KLLROZFGKVWJBR-UHFFFAOYSA-N -1 0 344.798 2.908 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001602692689 971305369 /nfs/dbraw/zinc/30/53/69/971305369.db2.gz WEDMQRSNLITNOO-UHFFFAOYSA-N -1 0 345.301 2.917 20 30 EFEDRM C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602709919 971348960 /nfs/dbraw/zinc/34/89/60/971348960.db2.gz LMPBIAZUDYXPMY-GOSISDBHSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602709998 971349125 /nfs/dbraw/zinc/34/91/25/971349125.db2.gz OBBILJRNPOIXIY-GOSISDBHSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602711955 971352081 /nfs/dbraw/zinc/35/20/81/971352081.db2.gz CRQFNMVLYANTEP-MRXNPFEDSA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001602722829 971390089 /nfs/dbraw/zinc/39/00/89/971390089.db2.gz SSXOLCMVCLSUKA-UHFFFAOYSA-N -1 0 344.436 2.671 20 30 EFEDRM C=C(C)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001602746379 971449658 /nfs/dbraw/zinc/44/96/58/971449658.db2.gz BWIHCKDGZYSJOA-AWEZNQCLSA-N -1 0 333.294 2.500 20 30 EFEDRM CC(C)c1ccc(CSc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001574416751 948759449 /nfs/dbraw/zinc/75/94/49/948759449.db2.gz GINFWYKKAJPRQI-UHFFFAOYSA-N -1 0 337.412 2.944 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCc2c(OC(F)F)cccc21 ZINC001602778347 971511430 /nfs/dbraw/zinc/51/14/30/971511430.db2.gz GEQNBWVXNYGOAC-INIZCTEOSA-N -1 0 338.310 2.572 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1csc2ccccc12 ZINC001602781697 971525416 /nfs/dbraw/zinc/52/54/16/971525416.db2.gz GFBCHCFLCHTKRU-INIZCTEOSA-N -1 0 331.349 2.632 20 30 EFEDRM C[C@@H](C#N)Oc1ccc(CNc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001602786398 971534438 /nfs/dbraw/zinc/53/44/38/971534438.db2.gz ORXRXNFYNNSKIH-LBPRGKRZSA-N -1 0 328.372 2.606 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602786517 971535071 /nfs/dbraw/zinc/53/50/71/971535071.db2.gz VTJNMYLYQKKSSJ-JTQLQIEISA-N -1 0 326.312 2.715 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001602786556 971536596 /nfs/dbraw/zinc/53/65/96/971536596.db2.gz XVFATGFQOOHUHB-LRDDRELGSA-N -1 0 339.351 2.925 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001589591992 949096527 /nfs/dbraw/zinc/09/65/27/949096527.db2.gz UZYORENVUCTHPH-SFHVURJKSA-N -1 0 326.396 2.693 20 30 EFEDRM CCC1(CC)Oc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2O1 ZINC001589614953 949355896 /nfs/dbraw/zinc/35/58/96/949355896.db2.gz CMGWRVDATRZKCE-INIZCTEOSA-N -1 0 332.356 2.917 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001589639713 949668947 /nfs/dbraw/zinc/66/89/47/949668947.db2.gz IWJQLSQICVMBTI-JKSUJKDBSA-N -1 0 334.416 2.770 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235456490 949864806 /nfs/dbraw/zinc/86/48/06/949864806.db2.gz YISADRHQIIIWHU-QMMMGPOBSA-N -1 0 340.177 2.771 20 30 EFEDRM CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H](C)C(=O)[O-] ZINC001589711191 950328103 /nfs/dbraw/zinc/32/81/03/950328103.db2.gz URGQYHJNCBSNKJ-CYBMUJFWSA-N -1 0 327.384 2.880 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589720619 950417714 /nfs/dbraw/zinc/41/77/14/950417714.db2.gz SRQSHYPJOGORIN-VIFPVBQESA-N -1 0 341.770 2.597 20 30 EFEDRM CC(C)[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000312415238 950760635 /nfs/dbraw/zinc/76/06/35/950760635.db2.gz RJNAFKWHZVAMCK-NSHDSACASA-N -1 0 340.177 2.551 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)Cc1ccccc1C(=O)[O-] ZINC001592009358 951292533 /nfs/dbraw/zinc/29/25/33/951292533.db2.gz PXFYDRHBTVINJK-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589268344 953384747 /nfs/dbraw/zinc/38/47/47/953384747.db2.gz KXONHXFSTSHCPK-UKPHBRMFSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001602955078 971936815 /nfs/dbraw/zinc/93/68/15/971936815.db2.gz YPAVEZQQEBOEBN-UHFFFAOYSA-N -1 0 340.335 2.758 20 30 EFEDRM CCc1ccc([C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001593637227 953614961 /nfs/dbraw/zinc/61/49/61/953614961.db2.gz ONOCXLVCJUEZOR-VQIMIIECSA-N -1 0 328.412 2.960 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001589304982 953730101 /nfs/dbraw/zinc/73/01/01/953730101.db2.gz OVVQKEKSKPRYDJ-WCQYABFASA-N -1 0 332.404 2.832 20 30 EFEDRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1cc(Cl)ccc1C#N ZINC001593683493 953977893 /nfs/dbraw/zinc/97/78/93/953977893.db2.gz HVUCGCFSMPPIDK-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593755655 954449917 /nfs/dbraw/zinc/44/99/17/954449917.db2.gz SOLLVYGVQWZWGS-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM CC(C)[C@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001602991395 972018455 /nfs/dbraw/zinc/01/84/55/972018455.db2.gz LCQDNVDFKRMOGT-AWEZNQCLSA-N -1 0 326.356 2.909 20 30 EFEDRM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC001593766416 954519870 /nfs/dbraw/zinc/51/98/70/954519870.db2.gz NIPZIJURCPEAEQ-SFHVURJKSA-N -1 0 349.390 2.607 20 30 EFEDRM CC(C)(NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000737598273 955221445 /nfs/dbraw/zinc/22/14/45/955221445.db2.gz LQXTXBVVUVOKLN-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000782365025 955343222 /nfs/dbraw/zinc/34/32/22/955343222.db2.gz GSENZTXVBPZZKT-KMKOMSMNSA-N -1 0 336.347 2.811 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846796746 955731674 /nfs/dbraw/zinc/73/16/74/955731674.db2.gz MEEJVWSUIFQGLK-MELADBBJSA-N -1 0 344.411 2.956 20 30 EFEDRM N#Cc1ncc(Br)cc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000852909893 955853686 /nfs/dbraw/zinc/85/36/86/955853686.db2.gz FIXHAOGHWSGSCU-JTQLQIEISA-N -1 0 338.205 2.797 20 30 EFEDRM Cn1ncc(C(=O)[O-])c1CNc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001594582692 955986447 /nfs/dbraw/zinc/98/64/47/955986447.db2.gz FBDXEUPGJSRYSA-UHFFFAOYSA-N -1 0 349.350 2.789 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001594601533 956136078 /nfs/dbraw/zinc/13/60/78/956136078.db2.gz OMBSLIQPZYYOQW-PKOBYXMFSA-N -1 0 348.402 2.970 20 30 EFEDRM N#C[C@H](COC(=O)C1(C(=O)[O-])CCSCC1)Cc1ccccc1 ZINC001594601926 956140309 /nfs/dbraw/zinc/14/03/09/956140309.db2.gz SLTBGQSBNSXYSD-CQSZACIVSA-N -1 0 333.409 2.510 20 30 EFEDRM N#CC[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001594605643 956169573 /nfs/dbraw/zinc/16/95/73/956169573.db2.gz GMCXXWZUAUUIFK-QZTJIDSGSA-N -1 0 336.391 2.886 20 30 EFEDRM N#CC[C@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(F)(F)F ZINC001594606030 956175717 /nfs/dbraw/zinc/17/57/17/956175717.db2.gz MZNLQRUOPHFHDE-JQWIXIFHSA-N -1 0 345.321 2.515 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001593931281 956184433 /nfs/dbraw/zinc/18/44/33/956184433.db2.gz ZUIVLGGGPJRJLH-VQIMIIECSA-N -1 0 338.363 2.770 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594608902 956187463 /nfs/dbraw/zinc/18/74/63/956187463.db2.gz FCZHEFDSBRABEY-SOFGYWHQSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC001594608981 956189007 /nfs/dbraw/zinc/18/90/07/956189007.db2.gz GPQUSSZYTQPYLU-MRXNPFEDSA-N -1 0 325.368 2.634 20 30 EFEDRM N#CCOc1cccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001594609717 956193962 /nfs/dbraw/zinc/19/39/62/956193962.db2.gz JATAMXFVWUXQRR-UHFFFAOYSA-N -1 0 330.384 2.630 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594611232 956212543 /nfs/dbraw/zinc/21/25/43/956212543.db2.gz OWPWVTZLOARHKB-SFHVURJKSA-N -1 0 334.375 2.506 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001594611328 956214088 /nfs/dbraw/zinc/21/40/88/956214088.db2.gz RUTNVPXKSOCWNW-UHFFFAOYSA-N -1 0 344.392 2.571 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001594611568 956216737 /nfs/dbraw/zinc/21/67/37/956216737.db2.gz YGLLZLFJBPYSNZ-CABCVRRESA-N -1 0 336.351 2.582 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594611531 956216805 /nfs/dbraw/zinc/21/68/05/956216805.db2.gz SNTCPCSZBFBSPH-OAHLLOKOSA-N -1 0 344.367 2.997 20 30 EFEDRM N#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001594611669 956218884 /nfs/dbraw/zinc/21/88/84/956218884.db2.gz WMGNEFRXVNHXSL-HNNXBMFYSA-N -1 0 325.324 2.536 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594611675 956219564 /nfs/dbraw/zinc/21/95/64/956219564.db2.gz WZMRGJFJMXCVEP-UHFFFAOYSA-N -1 0 337.379 2.820 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594615722 956235034 /nfs/dbraw/zinc/23/50/34/956235034.db2.gz GRMHEPIUGFOMPJ-MRXNPFEDSA-N -1 0 339.326 2.913 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC001594616700 956242602 /nfs/dbraw/zinc/24/26/02/956242602.db2.gz QOUCCWAWDACJJJ-HNNXBMFYSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(N3CCC[C@H](CC(=O)[O-])C3)n2)c1 ZINC000886907887 956246354 /nfs/dbraw/zinc/24/63/54/956246354.db2.gz KYMHSFSFYSNBEK-CQSZACIVSA-N -1 0 338.367 2.832 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1)CCCC2 ZINC001594617174 956248451 /nfs/dbraw/zinc/24/84/51/956248451.db2.gz DYPZJQSJGQMMNP-VURMDHGXSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(N3CCCC[C@H]3CC(=O)[O-])n2)c1 ZINC000886911802 956248491 /nfs/dbraw/zinc/24/84/91/956248491.db2.gz BXTIIYCFYBQARL-AWEZNQCLSA-N -1 0 338.367 2.974 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)NCCCC(=O)[O-])cc2)ccn1 ZINC001594617633 956251565 /nfs/dbraw/zinc/25/15/65/956251565.db2.gz RGRAFVPFPFRQHX-UHFFFAOYSA-N -1 0 340.339 2.732 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594618088 956260530 /nfs/dbraw/zinc/26/05/30/956260530.db2.gz BZSHIDLOEDVEAB-ROUUACIJSA-N -1 0 334.375 2.920 20 30 EFEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCCC(=O)[O-])cc1 ZINC001594618710 956266787 /nfs/dbraw/zinc/26/67/87/956266787.db2.gz XOMYNVDOAGMWSW-UHFFFAOYSA-N -1 0 328.290 2.704 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594619546 956269771 /nfs/dbraw/zinc/26/97/71/956269771.db2.gz GRHUJDJNTOWFLS-CQSZACIVSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001594623105 956295237 /nfs/dbraw/zinc/29/52/37/956295237.db2.gz UKBNPXVITGWSMW-CQSZACIVSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001594626453 956318736 /nfs/dbraw/zinc/31/87/36/956318736.db2.gz BNAHRCUGFGZKES-WMLDXEAASA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1Br ZINC001594628266 956328542 /nfs/dbraw/zinc/32/85/42/956328542.db2.gz GWEIZCXDQBAWJI-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc(NC(=O)CCCCC(=O)[O-])c1Br ZINC001594628386 956329461 /nfs/dbraw/zinc/32/94/61/956329461.db2.gz OOMMWGWQMURMEO-UHFFFAOYSA-N -1 0 325.162 2.904 20 30 EFEDRM N#Cc1cccc(OC2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)c1 ZINC001594628476 956331553 /nfs/dbraw/zinc/33/15/53/956331553.db2.gz WRBSYNCMQMTOLA-UHFFFAOYSA-N -1 0 342.395 2.573 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594628552 956331829 /nfs/dbraw/zinc/33/18/29/956331829.db2.gz CAVKKVWKLQPTFZ-HJCTWCACSA-N -1 0 332.359 2.782 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001594628490 956332827 /nfs/dbraw/zinc/33/28/27/956332827.db2.gz XTKIRGIVVNALEI-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM N#Cc1ccnc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001594631416 956341642 /nfs/dbraw/zinc/34/16/42/956341642.db2.gz GIBNATAODYUILD-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)C1(CC(=O)[O-])CCC1 ZINC001594631586 956342740 /nfs/dbraw/zinc/34/27/40/956342740.db2.gz FGCAWGMOLNAILV-UHFFFAOYSA-N -1 0 332.425 2.553 20 30 EFEDRM C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC000901693576 956419185 /nfs/dbraw/zinc/41/91/85/956419185.db2.gz CIOOZNMPKJTKSL-WMLDXEAASA-N -1 0 340.423 2.939 20 30 EFEDRM C[C@@]1(C#N)CCCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001589181496 956524704 /nfs/dbraw/zinc/52/47/04/956524704.db2.gz JZRBUJKSKIVQNU-KSSFIOAISA-N -1 0 331.416 2.706 20 30 EFEDRM C[C@]1(C#N)CCCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589181865 956530373 /nfs/dbraw/zinc/53/03/73/956530373.db2.gz SRNSZTYXYGYMRS-GOSISDBHSA-N -1 0 331.416 2.706 20 30 EFEDRM CC1(C#N)CN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589181899 956530624 /nfs/dbraw/zinc/53/06/24/956530624.db2.gz UCWFJROWGZEPFQ-UHFFFAOYSA-N -1 0 338.161 2.525 20 30 EFEDRM O=C([O-])C1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001594668276 956597189 /nfs/dbraw/zinc/59/71/89/956597189.db2.gz SZIMBOHNBSMKGX-UHFFFAOYSA-N -1 0 325.286 2.571 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N(CC(=O)[O-])CC3CC3)CCCC2)cc1 ZINC000902013083 956604152 /nfs/dbraw/zinc/60/41/52/956604152.db2.gz UBVYBCGQWJXSMY-UHFFFAOYSA-N -1 0 326.396 2.693 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C/C(=O)c3ccncc3)o2)CC1 ZINC001594675092 956653033 /nfs/dbraw/zinc/65/30/33/956653033.db2.gz OYKASUGWNDWJMX-HNQUOIGGSA-N -1 0 326.352 2.872 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)ccc1O ZINC000008322773 956886123 /nfs/dbraw/zinc/88/61/23/956886123.db2.gz SXFNOVFUBJYPLN-XBXARRHUSA-N -1 0 328.320 2.760 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000013262600 957001347 /nfs/dbraw/zinc/00/13/47/957001347.db2.gz VNECVWLMKBTDSK-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM C[C@@H]1/C(=C/c2ccc(N3CCC(C(=O)[O-])CC3)o2)C(=O)c2nccn21 ZINC001589257700 957013597 /nfs/dbraw/zinc/01/35/97/957013597.db2.gz BYJNJPHEIXDVLW-UXEDPAHQSA-N -1 0 341.367 2.618 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001574796702 957823868 /nfs/dbraw/zinc/82/38/68/957823868.db2.gz VLIXXMDJJMPMEB-UHFFFAOYSA-N -1 0 347.186 2.948 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594042230 957883728 /nfs/dbraw/zinc/88/37/28/957883728.db2.gz HNHXOQQPBBBOER-IRXDYDNUSA-N -1 0 338.363 2.710 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594042228 957883831 /nfs/dbraw/zinc/88/38/31/957883831.db2.gz HNHXOQQPBBBOER-IAGOWNOFSA-N -1 0 338.363 2.710 20 30 EFEDRM C=C(C)[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001340553712 957928833 /nfs/dbraw/zinc/92/88/33/957928833.db2.gz NZSSFRAXKIAZDD-HZMBPMFUSA-N -1 0 326.343 2.992 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588371973 957965300 /nfs/dbraw/zinc/96/53/00/957965300.db2.gz AWMXSAFUHOGZEN-CZUORRHYSA-N -1 0 332.375 2.786 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603200203 972308044 /nfs/dbraw/zinc/30/80/44/972308044.db2.gz XRPLJMWMBZAKGX-JLTOFOAXSA-N -1 0 336.391 2.853 20 30 EFEDRM C#C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(Br)cc1 ZINC001588387657 957989321 /nfs/dbraw/zinc/98/93/21/957989321.db2.gz LRQGVYROKHOHFK-CYBMUJFWSA-N -1 0 348.196 2.661 20 30 EFEDRM COc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1C#N ZINC001594051008 957990273 /nfs/dbraw/zinc/99/02/73/957990273.db2.gz WLRHDPPFFQKINM-HOTGVXAUSA-N -1 0 336.347 2.610 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588395728 958043011 /nfs/dbraw/zinc/04/30/11/958043011.db2.gz MCMDYQRFTTYMBW-KRWDZBQOSA-N -1 0 341.338 2.784 20 30 EFEDRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594058903 958070637 /nfs/dbraw/zinc/07/06/37/958070637.db2.gz NSDLPESFLQXYSO-ZDUSSCGKSA-N -1 0 331.155 2.945 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC001588400330 958080549 /nfs/dbraw/zinc/08/05/49/958080549.db2.gz VQBRWLRPYKYBNC-PKNBQFBNSA-N -1 0 325.286 2.655 20 30 EFEDRM COc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(F)cc1C#N ZINC001594062743 958108632 /nfs/dbraw/zinc/10/86/32/958108632.db2.gz AZHWMKZNECUJFR-HYXAFXHYSA-N -1 0 330.271 2.649 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(-c2cccs2)cc1 ZINC001588409118 958123224 /nfs/dbraw/zinc/12/32/24/958123224.db2.gz RHJMZRXLNJZPHK-UHFFFAOYSA-N -1 0 328.393 2.645 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001588410015 958133910 /nfs/dbraw/zinc/13/39/10/958133910.db2.gz NLLFWNRIFFBMRX-SFHVURJKSA-N -1 0 336.391 2.700 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001588410238 958137124 /nfs/dbraw/zinc/13/71/24/958137124.db2.gz QUZZRJVTBUPVHV-USXIJHARSA-N -1 0 328.412 2.688 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(OC)c(Cl)cc1C1CC1 ZINC001588411111 958146331 /nfs/dbraw/zinc/14/63/31/958146331.db2.gz LLRNDGBRRXELDX-UHFFFAOYSA-N -1 0 336.775 2.778 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC001588411184 958147747 /nfs/dbraw/zinc/14/77/47/958147747.db2.gz PNGGMTHIZQDTLV-UHFFFAOYSA-N -1 0 327.340 2.510 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(F)ccc1N1CCC(C)CC1 ZINC001588411327 958149331 /nfs/dbraw/zinc/14/93/31/958149331.db2.gz WDKDOHDFIIJFTO-UHFFFAOYSA-N -1 0 347.390 2.614 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c(Cl)c(C)cnc12 ZINC001588412717 958153728 /nfs/dbraw/zinc/15/37/28/958153728.db2.gz IKSWKFQHZMTSER-UHFFFAOYSA-N -1 0 331.759 2.748 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC001588412896 958154554 /nfs/dbraw/zinc/15/45/54/958154554.db2.gz MIXBLCXHMQDZPL-UHFFFAOYSA-N -1 0 330.384 2.950 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001588413145 958156421 /nfs/dbraw/zinc/15/64/21/958156421.db2.gz SCJVXGBCKOIURN-UHFFFAOYSA-N -1 0 346.717 2.536 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(OC)cc2)cc1F ZINC001588416121 958161617 /nfs/dbraw/zinc/16/16/17/958161617.db2.gz HAZJAWGRZXWOTB-UHFFFAOYSA-N -1 0 341.338 2.661 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC001588416420 958164417 /nfs/dbraw/zinc/16/44/17/958164417.db2.gz NCDLBBURJJUNSX-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1C(=O)c1cc(C)ccc1C ZINC001588418995 958190102 /nfs/dbraw/zinc/19/01/02/958190102.db2.gz LIKZFHWOWRVBGB-UHFFFAOYSA-N -1 0 349.386 2.694 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC001588424254 958212460 /nfs/dbraw/zinc/21/24/60/958212460.db2.gz MEIPYWIAERQPSZ-UHFFFAOYSA-N -1 0 333.771 2.529 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC001588425318 958225230 /nfs/dbraw/zinc/22/52/30/958225230.db2.gz MVJOWSJYNBXMIH-UHFFFAOYSA-N -1 0 340.166 2.563 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001594331450 958227509 /nfs/dbraw/zinc/22/75/09/958227509.db2.gz HOAMQRBDZWRZHZ-NSCUHMNNSA-N -1 0 336.307 2.686 20 30 EFEDRM COc1ccc([C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2CCC2)cc1 ZINC001594080897 958266458 /nfs/dbraw/zinc/26/64/58/958266458.db2.gz VCXFXOJIUIVWOR-SJLPKXTDSA-N -1 0 330.384 2.657 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001588433934 958301407 /nfs/dbraw/zinc/30/14/07/958301407.db2.gz XIKCUAUJDPKEMC-RYUDHWBXSA-N -1 0 334.347 2.555 20 30 EFEDRM C#Cc1ccc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(Cl)c1 ZINC001588438854 958305891 /nfs/dbraw/zinc/30/58/91/958305891.db2.gz FHOXHKXVFMAYJC-OAHLLOKOSA-N -1 0 343.770 2.534 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001588439166 958312901 /nfs/dbraw/zinc/31/29/01/958312901.db2.gz PESICPHYVLMVGN-MSOLQXFVSA-N -1 0 334.375 2.780 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001594343048 958312990 /nfs/dbraw/zinc/31/29/90/958312990.db2.gz PYVDBGZKRCYBSJ-SIFUEBAJSA-N -1 0 329.396 2.980 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001594342990 958313319 /nfs/dbraw/zinc/31/33/19/958313319.db2.gz KKMNXMAGHSBMGX-GHYICZDASA-N -1 0 337.375 2.850 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588443068 958350072 /nfs/dbraw/zinc/35/00/72/958350072.db2.gz MUHPZEUKRQZAES-OLZOCXBDSA-N -1 0 330.388 2.661 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588443230 958352320 /nfs/dbraw/zinc/35/23/20/958352320.db2.gz ONHTWDIEZGTRCT-OAHLLOKOSA-N -1 0 326.400 2.605 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588457063 958442571 /nfs/dbraw/zinc/44/25/71/958442571.db2.gz ICVUEPROPMMSCX-FVRSWCFKSA-N -1 0 338.448 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2ccc(C)cc2C)CCCC1 ZINC001573317417 958449898 /nfs/dbraw/zinc/44/98/98/958449898.db2.gz HFFVORBZMYKPGY-UHFFFAOYSA-N -1 0 342.439 2.845 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588457443 958451157 /nfs/dbraw/zinc/45/11/57/958451157.db2.gz ABSOWEBUDIQVBC-CHWSQXEVSA-N -1 0 334.420 2.959 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC001573318285 958462447 /nfs/dbraw/zinc/46/24/47/958462447.db2.gz UREOVIKGFBURIA-SGIREYDYSA-N -1 0 334.803 2.767 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC001573318547 958466058 /nfs/dbraw/zinc/46/60/58/958466058.db2.gz XSLCMGODBHOGTH-UHFFFAOYSA-N -1 0 330.428 2.765 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])C(C)C ZINC001588458888 958466793 /nfs/dbraw/zinc/46/67/93/958466793.db2.gz WYTDUNHFQLYXEX-CYBMUJFWSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC001588458936 958468455 /nfs/dbraw/zinc/46/84/55/958468455.db2.gz XNVVTFGPROPYSJ-QWHCGFSZSA-N -1 0 342.436 2.558 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001573319314 958471703 /nfs/dbraw/zinc/47/17/03/958471703.db2.gz WSIZYOMQZRRFON-WQLSENKSSA-N -1 0 329.249 2.562 20 30 EFEDRM COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001594106495 958472063 /nfs/dbraw/zinc/47/20/63/958472063.db2.gz KXJHTJJZDMTPEU-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM C=CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001588460459 958476187 /nfs/dbraw/zinc/47/61/87/958476187.db2.gz ITBVRKXLGFVBSA-HNNXBMFYSA-N -1 0 329.400 2.519 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001588463349 958483041 /nfs/dbraw/zinc/48/30/41/958483041.db2.gz NNAYFXRLKGMRQB-UHFFFAOYSA-N -1 0 331.412 2.515 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001573328127 958496962 /nfs/dbraw/zinc/49/69/62/958496962.db2.gz BHPSROIRHUEKCT-UKRRQHHQSA-N -1 0 337.441 2.537 20 30 EFEDRM C=CCOc1ccc(COC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588469558 958516730 /nfs/dbraw/zinc/51/67/30/958516730.db2.gz KCTDJORSSZHAHO-ZBFHGGJFSA-N -1 0 334.368 2.565 20 30 EFEDRM C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588472543 958545188 /nfs/dbraw/zinc/54/51/88/958545188.db2.gz OQMLLQOASGHOME-LBPRGKRZSA-N -1 0 340.374 2.668 20 30 EFEDRM C[C@@H](C#N)CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CC1 ZINC001573364998 958617739 /nfs/dbraw/zinc/61/77/39/958617739.db2.gz RQPNZPVICAJHCY-KBPBESRZSA-N -1 0 331.416 2.705 20 30 EFEDRM C[C@H](C#N)CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CC1 ZINC001573365043 958617791 /nfs/dbraw/zinc/61/77/91/958617791.db2.gz RQPNZPVICAJHCY-KGLIPLIRSA-N -1 0 331.416 2.705 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC001594146458 958770097 /nfs/dbraw/zinc/77/00/97/958770097.db2.gz QWOCPUGAPANOKU-NWDGAFQWSA-N -1 0 336.413 2.537 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)Cc2c(C)cc(C#N)cc2C)C(=O)[O-])c1 ZINC001594397933 958790732 /nfs/dbraw/zinc/79/07/32/958790732.db2.gz PMNCTGJSMSANKK-LJQANCHMSA-N -1 0 336.391 2.968 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC001588533983 958913964 /nfs/dbraw/zinc/91/39/64/958913964.db2.gz CKJVEOAXZSBIBE-QGZVFWFLSA-N -1 0 349.818 2.747 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC001588533946 958915000 /nfs/dbraw/zinc/91/50/00/958915000.db2.gz BRMKDSLGEJOVGI-QAPCUYQASA-N -1 0 326.396 2.787 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001588534367 958919699 /nfs/dbraw/zinc/91/96/99/958919699.db2.gz FHYJGHSFNZKMSO-QGZVFWFLSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC001588538738 958944147 /nfs/dbraw/zinc/94/41/47/958944147.db2.gz NGTXHUBLQPGWQF-HSBZDZAISA-N -1 0 332.322 2.762 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573470163 958948817 /nfs/dbraw/zinc/94/88/17/958948817.db2.gz TZFMNMVRTBODQT-JKSUJKDBSA-N -1 0 343.427 2.826 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001588539109 958950897 /nfs/dbraw/zinc/95/08/97/958950897.db2.gz XUTSTWPWANOOQA-SJKOYZFVSA-N -1 0 336.338 2.675 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc2ccccc2c(Cl)n1 ZINC001588540282 958959841 /nfs/dbraw/zinc/95/98/41/958959841.db2.gz WSDYVHWHPFLBHO-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001588540270 958960797 /nfs/dbraw/zinc/96/07/97/958960797.db2.gz WHQBSKCUPZJSHR-HNNXBMFYSA-N -1 0 333.344 2.892 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001588541812 958966096 /nfs/dbraw/zinc/96/60/96/958966096.db2.gz MUHPOOMPUVEGAF-SFHVURJKSA-N -1 0 349.350 2.568 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001588541938 958967680 /nfs/dbraw/zinc/96/76/80/958967680.db2.gz ONPPNRBQOCEPTJ-MRXNPFEDSA-N -1 0 327.296 2.691 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001588544104 958987145 /nfs/dbraw/zinc/98/71/45/958987145.db2.gz ZDPAHAFMAYPUMX-JTQLQIEISA-N -1 0 342.380 2.679 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000149956430 959031967 /nfs/dbraw/zinc/03/19/67/959031967.db2.gz RCRTZGXPHJUNLG-VIFPVBQESA-N -1 0 325.748 2.900 20 30 EFEDRM C[C@](CNC(=O)C1(c2ccc(C#N)cc2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573591048 959394015 /nfs/dbraw/zinc/39/40/15/959394015.db2.gz BEOBFDQBEZJAJH-HXUWFJFHSA-N -1 0 348.402 2.749 20 30 EFEDRM C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2ccccc2s1 ZINC001573591829 959400575 /nfs/dbraw/zinc/40/05/75/959400575.db2.gz NVJWPUAPONWOJD-QFYYESIMSA-N -1 0 331.397 2.521 20 30 EFEDRM C[C@@](CNC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573591840 959400998 /nfs/dbraw/zinc/40/09/98/959400998.db2.gz NXTWMXMSXRVFEP-DUQGCJEPSA-N -1 0 334.375 2.730 20 30 EFEDRM C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2ccccc2s1 ZINC001573591827 959401333 /nfs/dbraw/zinc/40/13/33/959401333.db2.gz NVJWPUAPONWOJD-MGPLVRAMSA-N -1 0 331.397 2.521 20 30 EFEDRM COc1cc(NC(=O)c2cccc(C#N)c2)c(C(=O)[O-])cc1OC ZINC000170570493 959414065 /nfs/dbraw/zinc/41/40/65/959414065.db2.gz CHBYCDMIWHBKRN-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC001594227656 959440704 /nfs/dbraw/zinc/44/07/04/959440704.db2.gz CDGOSVKWRXYWHE-ABKXIKBNSA-N -1 0 327.365 2.731 20 30 EFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC001588607548 959490072 /nfs/dbraw/zinc/49/00/72/959490072.db2.gz KFTAXMZXOHLKGY-UHFFFAOYSA-N -1 0 345.376 2.954 20 30 EFEDRM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573616526 959496813 /nfs/dbraw/zinc/49/68/13/959496813.db2.gz NPCGDXXRAUMKOK-BYCMXARLSA-N -1 0 346.452 2.902 20 30 EFEDRM Cc1c(C#N)c(NC(=O)Cc2ccccc2C(=O)[O-])n2ccccc12 ZINC001594252583 959622504 /nfs/dbraw/zinc/62/25/04/959622504.db2.gz BQMISUKGAVZOQD-UHFFFAOYSA-N -1 0 333.347 2.999 20 30 EFEDRM Cc1c(Cl)cnc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1C#N ZINC001594262464 959708421 /nfs/dbraw/zinc/70/84/21/959708421.db2.gz MIYQGUOXFYTFAT-CSJGVYOVSA-N -1 0 335.791 2.739 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1O ZINC000213184271 959718553 /nfs/dbraw/zinc/71/85/53/959718553.db2.gz IMTVDCFYOBUEHC-WAPJZHGLSA-N -1 0 328.320 2.760 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000230011805 960106535 /nfs/dbraw/zinc/10/65/35/960106535.db2.gz IPIZHICJJQYCCY-MRVPVSSYSA-N -1 0 325.162 2.681 20 30 EFEDRM N#Cc1ccc(N2CCC(C(=O)[O-])CC2)c(F)c1Br ZINC000231841898 960210841 /nfs/dbraw/zinc/21/08/41/960210841.db2.gz DDQSRNSULMNHPZ-UHFFFAOYSA-N -1 0 327.153 2.761 20 30 EFEDRM N#CCc1ccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000392574125 972498400 /nfs/dbraw/zinc/49/84/00/972498400.db2.gz DWUQEXMJXVDGOG-QGZVFWFLSA-N -1 0 335.363 2.969 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])c1cc(C#N)c(Br)cn1 ZINC001588657113 960416656 /nfs/dbraw/zinc/41/66/56/960416656.db2.gz OIUGXEXCLFSXGR-UHFFFAOYSA-N -1 0 326.194 2.653 20 30 EFEDRM C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC001573738893 960473969 /nfs/dbraw/zinc/47/39/69/960473969.db2.gz LJWJUIIEOOMIFS-YOEHRIQHSA-N -1 0 344.411 2.677 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NCCC(C)(C)C(=O)[O-])c1C#N ZINC001574257124 960537707 /nfs/dbraw/zinc/53/77/07/960537707.db2.gz BCOMFWLSUQYNDG-UHFFFAOYSA-N -1 0 347.440 2.783 20 30 EFEDRM CSc1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1C#N ZINC001574257175 960539628 /nfs/dbraw/zinc/53/96/28/960539628.db2.gz KDZNDIAKXPFOBT-UHFFFAOYSA-N -1 0 347.440 2.723 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC001573818355 960924968 /nfs/dbraw/zinc/92/49/68/960924968.db2.gz AFAITOYVMBHDOM-SCLBCKFNSA-N -1 0 329.400 2.906 20 30 EFEDRM Cc1nc(N2CCCCC2)sc1C=[NH+][N-]c1ccc(C(=O)[O-])cn1 ZINC001323154747 961016669 /nfs/dbraw/zinc/01/66/69/961016669.db2.gz OVRNHHJLHYSYEI-UHFFFAOYSA-N -1 0 345.428 2.981 20 30 EFEDRM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C(=O)[O-])c1 ZINC001574390713 961175475 /nfs/dbraw/zinc/17/54/75/961175475.db2.gz CDGCTPPBMVXZRN-KSZLIROESA-N -1 0 334.375 2.912 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588757407 961225898 /nfs/dbraw/zinc/22/58/98/961225898.db2.gz BSYJIAMCENPQDH-HNNXBMFYSA-N -1 0 329.400 2.710 20 30 EFEDRM CC(C)(CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588774150 961267845 /nfs/dbraw/zinc/26/78/45/961267845.db2.gz OHNVNKFYWSQYML-HNNXBMFYSA-N -1 0 329.400 2.736 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)c(C#N)c1 ZINC001588808372 961498926 /nfs/dbraw/zinc/49/89/26/961498926.db2.gz QEXAMXAONNBMIJ-NSHDSACASA-N -1 0 325.162 2.616 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001588809209 961508687 /nfs/dbraw/zinc/50/86/87/961508687.db2.gz GEYZZXZEUZLABQ-LLVKDONJSA-N -1 0 330.262 2.752 20 30 EFEDRM CC(C)[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588815074 961561169 /nfs/dbraw/zinc/56/11/69/961561169.db2.gz CCRYUKAFUPOURO-ZDUSSCGKSA-N -1 0 327.302 2.530 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001588822227 961635566 /nfs/dbraw/zinc/63/55/66/961635566.db2.gz FUQNCOGLOKXFAY-KRWDZBQOSA-N -1 0 343.427 2.804 20 30 EFEDRM N#CCSc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001574481091 961670282 /nfs/dbraw/zinc/67/02/82/961670282.db2.gz UQQHQRSXEYKTFE-UHFFFAOYSA-N -1 0 326.377 2.930 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001574485658 961677970 /nfs/dbraw/zinc/67/79/70/961677970.db2.gz JPRNKDDPZLRKII-ZWKOTPCHSA-N -1 0 349.390 2.713 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(Cl)c1 ZINC001574485908 961679702 /nfs/dbraw/zinc/67/97/02/961679702.db2.gz MVBMFUAYEHQCLA-UHFFFAOYSA-N -1 0 325.111 2.539 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)N3CCC(CCC(=O)[O-])CC3)CC2)c1 ZINC001574486156 961681516 /nfs/dbraw/zinc/68/15/16/961681516.db2.gz RJNLDZNTPDRBMW-UHFFFAOYSA-N -1 0 344.386 2.832 20 30 EFEDRM N#Cc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1Br ZINC001574488619 961696799 /nfs/dbraw/zinc/69/67/99/961696799.db2.gz CYXXDVYJLJXXLD-DTWKUNHWSA-N -1 0 337.173 2.760 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574489835 961709026 /nfs/dbraw/zinc/70/90/26/961709026.db2.gz QZXDEGXRDKUMEP-IAGOWNOFSA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cncc(C(=O)[O-])c3)on2)c1 ZINC001574490110 961710295 /nfs/dbraw/zinc/71/02/95/961710295.db2.gz WKAWZEOUKBPGEW-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM C#CC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001335506232 961932599 /nfs/dbraw/zinc/93/25/99/961932599.db2.gz XRTBYDLOXSSCGJ-BBWFWOEESA-N -1 0 326.396 2.503 20 30 EFEDRM N#CCc1cccc(NC(=O)NCc2cccc(NC(=O)[O-])c2)n1 ZINC001571168623 962028115 /nfs/dbraw/zinc/02/81/15/962028115.db2.gz YCHOOARSABKIKL-UHFFFAOYSA-N -1 0 325.328 2.559 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001571170623 962045119 /nfs/dbraw/zinc/04/51/19/962045119.db2.gz HNKMIEXCVLPMDK-SFHVURJKSA-N -1 0 326.327 2.817 20 30 EFEDRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)ccc1C#N ZINC001571170812 962048515 /nfs/dbraw/zinc/04/85/15/962048515.db2.gz LIKVTSSJJKLMNX-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)CC(=O)[O-] ZINC001588892529 962208572 /nfs/dbraw/zinc/20/85/72/962208572.db2.gz QOYOYIVHTLQVDR-WMLDXEAASA-N -1 0 343.427 2.982 20 30 EFEDRM N#CCc1ccsc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC001571186697 962214464 /nfs/dbraw/zinc/21/44/64/962214464.db2.gz UJGNPUHKNKVQAF-UHFFFAOYSA-N -1 0 329.381 2.877 20 30 EFEDRM CC(C)C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001588899276 962243674 /nfs/dbraw/zinc/24/36/74/962243674.db2.gz JPPJMAIHZJGQNQ-INIZCTEOSA-N -1 0 328.412 2.986 20 30 EFEDRM N#CC[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001571218205 962529926 /nfs/dbraw/zinc/52/99/26/962529926.db2.gz VYRVINIWYUEDCJ-MSOLQXFVSA-N -1 0 334.375 2.894 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC001573301876 962639674 /nfs/dbraw/zinc/63/96/74/962639674.db2.gz LNTQAONSZXMHQI-UHFFFAOYSA-N -1 0 330.365 2.520 20 30 EFEDRM C#C[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001573302248 962647863 /nfs/dbraw/zinc/64/78/63/962647863.db2.gz LKBFZUABUQYOCX-QZTJIDSGSA-N -1 0 334.375 2.755 20 30 EFEDRM C#CC1(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCCC1 ZINC001573302882 962664882 /nfs/dbraw/zinc/66/48/82/962664882.db2.gz RNOSCPGIRWXTCQ-UHFFFAOYSA-N -1 0 336.185 2.823 20 30 EFEDRM C#CCN(CC(=O)Nc1ccc(C(=O)[O-])c(C)c1)C(=O)OC(C)(C)C ZINC001573310714 962689339 /nfs/dbraw/zinc/68/93/39/962689339.db2.gz BNYHNRASAGDILV-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001573311032 962693433 /nfs/dbraw/zinc/69/34/33/962693433.db2.gz GYNLCKXYECKGBN-GOSISDBHSA-N -1 0 337.375 2.953 20 30 EFEDRM C#CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001573311417 962701648 /nfs/dbraw/zinc/70/16/48/962701648.db2.gz PILMDKBWCGXOPX-RTBURBONSA-N -1 0 349.386 2.639 20 30 EFEDRM C#CCOc1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001573311753 962712115 /nfs/dbraw/zinc/71/21/15/962712115.db2.gz GGJONSOAIIIDGL-UHFFFAOYSA-N -1 0 337.375 2.646 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1Cl ZINC001573311814 962713550 /nfs/dbraw/zinc/71/35/50/962713550.db2.gz YZNDPVMBQXXEBI-UHFFFAOYSA-N -1 0 337.803 2.815 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001573312340 962720660 /nfs/dbraw/zinc/72/06/60/962720660.db2.gz RZAJHIPKHKRXBQ-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cn1 ZINC001573312463 962722877 /nfs/dbraw/zinc/72/28/77/962722877.db2.gz URUWCWKKNQNXMW-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(C(=O)[O-])nn2C)c1 ZINC001573313915 962738746 /nfs/dbraw/zinc/73/87/46/962738746.db2.gz UILCJANSBDPAOM-UHFFFAOYSA-N -1 0 349.346 2.540 20 30 EFEDRM C=C(C)C[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC001573319966 962749144 /nfs/dbraw/zinc/74/91/44/962749144.db2.gz BURIREDWJDYGFA-NSHDSACASA-N -1 0 347.745 2.976 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)[O-] ZINC001573321245 962757113 /nfs/dbraw/zinc/75/71/13/962757113.db2.gz KRRVOKULGYTKQR-LBPRGKRZSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cn1)C(=O)[O-] ZINC001573324621 962787282 /nfs/dbraw/zinc/78/72/82/962787282.db2.gz VYQQYILRQCPCRU-KRWDZBQOSA-N -1 0 340.379 2.810 20 30 EFEDRM C=CCC[C@@H](NC(=O)COCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573328874 962810823 /nfs/dbraw/zinc/81/08/23/962810823.db2.gz QPLSYKGBMUBXAV-CYBMUJFWSA-N -1 0 345.317 2.930 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC001573332071 962824140 /nfs/dbraw/zinc/82/41/40/962824140.db2.gz HXOPRTQVLLBITE-UHFFFAOYSA-N -1 0 341.411 2.929 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(C)c1Br ZINC001573332363 962831831 /nfs/dbraw/zinc/83/18/31/962831831.db2.gz HYSNPZCFDZSDLD-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1C(=O)OC ZINC001573336334 962857789 /nfs/dbraw/zinc/85/77/89/962857789.db2.gz BCLLBPCBIJGASI-UHFFFAOYSA-N -1 0 335.356 2.620 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(-c2ccc(F)cc2F)c1C ZINC001573337507 962865892 /nfs/dbraw/zinc/86/58/92/962865892.db2.gz PAYNZCSSAPULMD-UHFFFAOYSA-N -1 0 335.310 2.818 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC001573337500 962866043 /nfs/dbraw/zinc/86/60/43/962866043.db2.gz ORLUDBPTKQZKOL-UHFFFAOYSA-N -1 0 329.711 2.625 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001573337673 962866432 /nfs/dbraw/zinc/86/64/32/962866432.db2.gz PSIXVOKPHXTXDO-UHFFFAOYSA-N -1 0 333.775 2.944 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC001573337970 962869842 /nfs/dbraw/zinc/86/98/42/962869842.db2.gz USINCQVAMYBFHI-UHFFFAOYSA-N -1 0 330.384 2.591 20 30 EFEDRM C=C1CCC(C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC001573344072 962911314 /nfs/dbraw/zinc/91/13/14/962911314.db2.gz NGQZCGSOHYPOOX-LLVKDONJSA-N -1 0 348.374 2.714 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573352409 962986860 /nfs/dbraw/zinc/98/68/60/962986860.db2.gz BJHTYZGZSZIDJZ-IAQYHMDHSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)C(=O)[O-] ZINC001573356524 963007574 /nfs/dbraw/zinc/00/75/74/963007574.db2.gz DIJFBFVCZKPSJF-GFCCVEGCSA-N -1 0 337.420 2.616 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001573357173 963013281 /nfs/dbraw/zinc/01/32/81/963013281.db2.gz JYXMKBHYGFGUIR-QMMMGPOBSA-N -1 0 336.335 2.630 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)CC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001573357809 963021678 /nfs/dbraw/zinc/02/16/78/963021678.db2.gz SVUQTVKPBGSCHZ-SWLSCSKDSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cccc(C)c1Cl)C(=O)[O-] ZINC001573366170 963058629 /nfs/dbraw/zinc/05/86/29/963058629.db2.gz KBEWFGYRDCVEHM-LLVKDONJSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCCNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001573366953 963063170 /nfs/dbraw/zinc/06/31/70/963063170.db2.gz QJCMXVHAWGQNKN-UONOGXRCSA-N -1 0 338.354 2.741 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001573367838 963070283 /nfs/dbraw/zinc/07/02/83/963070283.db2.gz BSGOBBNVFXMYJX-UHFFFAOYSA-N -1 0 331.393 2.901 20 30 EFEDRM C#C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311681627 963502844 /nfs/dbraw/zinc/50/28/44/963502844.db2.gz BMKBDUFVLNZSFY-MRVPVSSYSA-N -1 0 325.162 2.599 20 30 EFEDRM CC[C@H](CC#N)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000315798198 963936960 /nfs/dbraw/zinc/93/69/60/963936960.db2.gz IDPCKMADNLRCCM-SECBINFHSA-N -1 0 338.410 2.570 20 30 EFEDRM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588440859 964046200 /nfs/dbraw/zinc/04/62/00/964046200.db2.gz UMLGMEPVFKUIHJ-NSHDSACASA-N -1 0 337.397 2.819 20 30 EFEDRM C#CCCCNC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588446669 964077145 /nfs/dbraw/zinc/07/71/45/964077145.db2.gz VAPBAWNMWKAZHS-UHFFFAOYSA-N -1 0 337.763 2.532 20 30 EFEDRM C#CCCCc1nnc(N2CCc3c(cccc3C(=O)[O-])C2)n1CC ZINC001588446943 964080799 /nfs/dbraw/zinc/08/07/99/964080799.db2.gz PBJPUGWCOMEBTG-UHFFFAOYSA-N -1 0 338.411 2.515 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1ccc(Br)c2cccnc12 ZINC000166724224 967672675 /nfs/dbraw/zinc/67/26/75/967672675.db2.gz VXQZTBVVNMKMNB-UHFFFAOYSA-N -1 0 333.185 2.517 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000840990269 969216155 /nfs/dbraw/zinc/21/61/55/969216155.db2.gz DPKUJUWOKWRKRA-IRXDYDNUSA-N -1 0 328.412 2.517 20 30 EFEDRM C[C@](CNC(=O)[C@]1(C#N)CC2CCC1CC2)(C(=O)[O-])c1ccccc1 ZINC000902014554 969506247 /nfs/dbraw/zinc/50/62/47/969506247.db2.gz WRUSHCQCIXTEPO-YUNSAGIJSA-N -1 0 340.423 2.865 20 30 EFEDRM C[C@](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)(C(=O)[O-])c1ccccc1 ZINC000902014340 969506407 /nfs/dbraw/zinc/50/64/07/969506407.db2.gz WRUSHCQCIXTEPO-VAZMBZEVSA-N -1 0 340.423 2.865 20 30 EFEDRM CC(C)C[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001573915074 969836701 /nfs/dbraw/zinc/83/67/01/969836701.db2.gz AMGFNQDVPOLOGL-NSHDSACASA-N -1 0 339.189 2.550 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001609693027 970452734 /nfs/dbraw/zinc/45/27/34/970452734.db2.gz PHGBPRROHWYEFV-CQSZACIVSA-N -1 0 346.717 2.927 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000393757584 972637372 /nfs/dbraw/zinc/63/73/72/972637372.db2.gz IAZDEUDUTYGWSK-VIFPVBQESA-N -1 0 335.784 2.810 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC001605132363 972796006 /nfs/dbraw/zinc/79/60/06/972796006.db2.gz IEYAAFVPHWXNLJ-FQEVSTJZSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1cc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001605201109 972930067 /nfs/dbraw/zinc/93/00/67/972930067.db2.gz ZFWHWNUSHRSQDE-FZMZJTMJSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001605244952 973008934 /nfs/dbraw/zinc/00/89/34/973008934.db2.gz RZWNOADGIMZWCT-CDNLZTBQSA-N -1 0 331.412 2.987 20 30 EFEDRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605367063 973305390 /nfs/dbraw/zinc/30/53/90/973305390.db2.gz DFLJMERCBFGYDD-INIZCTEOSA-N -1 0 346.774 2.777 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001603487751 973413684 /nfs/dbraw/zinc/41/36/84/973413684.db2.gz BBPOTDJGLCWLIY-DOTOQJQBSA-N -1 0 344.411 2.875 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001603487753 973414077 /nfs/dbraw/zinc/41/40/77/973414077.db2.gz BBPOTDJGLCWLIY-RDJZCZTQSA-N -1 0 344.411 2.875 20 30 EFEDRM O=C([O-])Cc1cccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 ZINC001606307847 973719042 /nfs/dbraw/zinc/71/90/42/973719042.db2.gz LVIPUUZRAJQKGX-TWGQIWQCSA-N -1 0 327.311 2.674 20 30 EFEDRM COCc1cc(C#N)ccc1NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604640842 973773093 /nfs/dbraw/zinc/77/30/93/973773093.db2.gz UNQSHQNYALSBAM-CSLYMUCUSA-N -1 0 330.384 2.529 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC001603600487 973839295 /nfs/dbraw/zinc/83/92/95/973839295.db2.gz KGCQRZQKHMAKRA-KRWDZBQOSA-N -1 0 331.372 2.698 20 30 EFEDRM N#C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001605576461 973847701 /nfs/dbraw/zinc/84/77/01/973847701.db2.gz NYIJPQBOISKMPH-NEPJUHHUSA-N -1 0 327.167 2.785 20 30 EFEDRM N#CC1(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCC1 ZINC001605583689 973874692 /nfs/dbraw/zinc/87/46/92/973874692.db2.gz ZFDNIOZRQRLIED-HUUCEWRRSA-N -1 0 327.384 2.683 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001605592025 973891744 /nfs/dbraw/zinc/89/17/44/973891744.db2.gz OIKQELJOFXJGAJ-KCJUWKMLSA-N -1 0 327.167 2.848 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001605601477 973903239 /nfs/dbraw/zinc/90/32/39/973903239.db2.gz MMKPIWKRFLRCRJ-UHFFFAOYSA-N -1 0 336.347 2.880 20 30 EFEDRM N#Cc1ccc(CNC(=O)CSCc2cccc(C(=O)[O-])c2)cc1 ZINC001605601749 973906401 /nfs/dbraw/zinc/90/64/01/973906401.db2.gz AGPRUVPNABJHLH-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)Nc3ccnc(C(=O)[O-])c3)CC2)cc1 ZINC001605602240 973912269 /nfs/dbraw/zinc/91/22/69/973912269.db2.gz VGKKBOXVNIKDOZ-UHFFFAOYSA-N -1 0 348.362 2.973 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001605602297 973913700 /nfs/dbraw/zinc/91/37/00/973913700.db2.gz YLCLYQYLFWPVCX-INIZCTEOSA-N -1 0 333.347 2.506 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001605611121 973914826 /nfs/dbraw/zinc/91/48/26/973914826.db2.gz GIWHWIBDRJGTHV-OAHLLOKOSA-N -1 0 327.315 2.515 20 30 EFEDRM N#Cc1cccc(N(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C2CCC2)c1 ZINC001605617824 973937535 /nfs/dbraw/zinc/93/75/35/973937535.db2.gz XRYOVTDTNSZPPO-PBHICJAKSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1sc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])nc1Cl ZINC001605626271 973952577 /nfs/dbraw/zinc/95/25/77/973952577.db2.gz HRVJCMLMUJZXAR-QMMMGPOBSA-N -1 0 342.808 2.919 20 30 EFEDRM CCN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C#N)c(Cl)c1 ZINC001603714938 974129302 /nfs/dbraw/zinc/12/93/02/974129302.db2.gz BQJXZWLSUMNMJE-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001591758464 975835528 /nfs/dbraw/zinc/83/55/28/975835528.db2.gz GZNCJOSFZJFECH-UHFFFAOYSA-N -1 0 343.339 2.603 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591758458 975835730 /nfs/dbraw/zinc/83/57/30/975835730.db2.gz GPAACQPPDVVLTO-VBHSOAQHSA-N -1 0 343.383 2.720 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C#N ZINC001591786704 975959114 /nfs/dbraw/zinc/95/91/14/975959114.db2.gz NZAIRWYDLCKQHP-ZDUSSCGKSA-N -1 0 329.356 2.640 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1C#N ZINC001591787910 975965151 /nfs/dbraw/zinc/96/51/51/975965151.db2.gz GQGOTBUOZAARGO-UHFFFAOYSA-N -1 0 343.339 2.958 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1C#N ZINC001591787833 975965233 /nfs/dbraw/zinc/96/52/33/975965233.db2.gz DPFGEOCPQCNSPN-IAISJRAMSA-N -1 0 343.383 2.720 20 30 EFEDRM CC(C)Oc1cccc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)n1 ZINC001591791561 975987286 /nfs/dbraw/zinc/98/72/86/975987286.db2.gz HZPSSECMGODMNL-UHFFFAOYSA-N -1 0 339.347 2.776 20 30 EFEDRM CC(C)c1ccc([C@H]2NC(=S)NC(C3CC3)=C2C(=O)C(=O)[O-])cc1 ZINC001591948336 976499474 /nfs/dbraw/zinc/49/94/74/976499474.db2.gz FMOFHCKOUCPXHJ-CQSZACIVSA-N -1 0 344.436 2.647 20 30 EFEDRM CC(C)c1csc(C(C#N)C(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001592007988 976670852 /nfs/dbraw/zinc/67/08/52/976670852.db2.gz ACOHEFAEOMRIIB-NSHDSACASA-N -1 0 346.412 2.818 20 30 EFEDRM CC(C)c1nccnc1N=NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001592039441 976761280 /nfs/dbraw/zinc/76/12/80/976761280.db2.gz IZKGOFMRNKHFNG-UHFFFAOYSA-N -1 0 327.388 2.882 20 30 EFEDRM CC(C)c1sc(NC(=O)c2cccc(C#CCO)c2)nc1C(=O)[O-] ZINC001592115189 976913217 /nfs/dbraw/zinc/91/32/17/976913217.db2.gz UCBIIYMXFHBXDX-UHFFFAOYSA-N -1 0 344.392 2.561 20 30 EFEDRM C[C@H](CC#N)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001592221854 977402872 /nfs/dbraw/zinc/40/28/72/977402872.db2.gz NYTAIINTHWQLLV-SKDRFNHKSA-N -1 0 329.274 2.794 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NOCCCC(=O)[O-] ZINC001592226157 977416164 /nfs/dbraw/zinc/41/61/64/977416164.db2.gz UVTGVOJGZYXIRX-NSHDSACASA-N -1 0 337.401 2.999 20 30 EFEDRM CC(C)[C@H](NC(=O)CNc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC001592226463 977419294 /nfs/dbraw/zinc/41/92/94/977419294.db2.gz YLPBYAJAUQUPQB-WBMJQRKESA-N -1 0 349.456 2.718 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H](CC#N)c1ccccc1)c1ccccn1 ZINC001592278373 977563513 /nfs/dbraw/zinc/56/35/13/977563513.db2.gz UMKDWICTJQGWCG-KXBFYZLASA-N -1 0 337.379 2.585 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cc(C#N)ccc1F)c1ccccn1 ZINC001592290682 977615406 /nfs/dbraw/zinc/61/54/06/977615406.db2.gz QSZFHTAMLUGILN-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@H](CCC#N)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001592470472 978222637 /nfs/dbraw/zinc/22/26/37/978222637.db2.gz JCTDGZQASTXQBW-CJNGLKHVSA-N -1 0 335.835 2.776 20 30 EFEDRM C[C@H](CCC#N)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001592470474 978222665 /nfs/dbraw/zinc/22/26/65/978222665.db2.gz JCTDGZQASTXQBW-CZUORRHYSA-N -1 0 335.835 2.776 20 30 EFEDRM CC(CS(=O)(=O)c1ccccc1)N=Nc1cccc(C(=O)[O-])c1 ZINC000735408972 978301896 /nfs/dbraw/zinc/30/18/96/978301896.db2.gz NTRPQJZRLYBDQY-UHFFFAOYSA-N -1 0 332.381 2.647 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000737838773 978448963 /nfs/dbraw/zinc/44/89/63/978448963.db2.gz BNPQTYFRZLSFFZ-UHFFFAOYSA-N -1 0 328.324 2.626 20 30 EFEDRM O=C([O-])CCCOc1ccc(C/N=C/c2ccc(O)c(O)c2O)cc1 ZINC000739681444 978649418 /nfs/dbraw/zinc/64/94/18/978649418.db2.gz NUSJAOUBWOBZBB-YBFXNURJSA-N -1 0 345.351 2.666 20 30 EFEDRM COc1ccc2c(c1)O/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000749132531 978688385 /nfs/dbraw/zinc/68/83/85/978688385.db2.gz ORQIBGGNCSYQHC-LZYBPNLTSA-N -1 0 326.304 2.775 20 30 EFEDRM COC(=O)c1cc(NN=Cc2ccc(OCC(=O)[O-])cc2)ccc1C ZINC000793097286 978802316 /nfs/dbraw/zinc/80/23/16/978802316.db2.gz GTVIACVVYXSYRR-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM COc1cc2c(cc1OC)C(N=Nc1ccc(C(=O)[O-])cn1)CC2 ZINC000794526000 978812763 /nfs/dbraw/zinc/81/27/63/978812763.db2.gz KVSJWBAGZMNVHA-UHFFFAOYSA-N -1 0 327.340 2.559 20 30 EFEDRM C[C@H](Oc1ccc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc1)C(=O)[O-] ZINC000794713759 978817809 /nfs/dbraw/zinc/81/78/09/978817809.db2.gz ONDSCHGTIXSELO-FSKGUYTJSA-N -1 0 334.331 2.903 20 30 EFEDRM O=C([O-])Cn1cc(C=Nn2cnnc2-c2ccccc2)c2ccccc21 ZINC000799874020 978842373 /nfs/dbraw/zinc/84/23/73/978842373.db2.gz STNBRECGGJAPGY-UHFFFAOYSA-N -1 0 345.362 2.867 20 30 EFEDRM CC1(C)C[C@@H](NN=Cc2cn(CC(=O)[O-])c3ccccc23)CCO1 ZINC000799886164 978845055 /nfs/dbraw/zinc/84/50/55/978845055.db2.gz VNJCHABCYPMQQU-AWEZNQCLSA-N -1 0 329.400 2.607 20 30 EFEDRM Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(-c2cnn(C)c2)c1 ZINC000802711895 978849374 /nfs/dbraw/zinc/84/93/74/978849374.db2.gz AKOJLWKASCDQIW-UHFFFAOYSA-N -1 0 335.367 2.935 20 30 EFEDRM COCC(=NNc1cccc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000814687576 978872395 /nfs/dbraw/zinc/87/23/95/978872395.db2.gz LUMYUVBLNROKNV-UHFFFAOYSA-N -1 0 329.312 2.756 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814770470 978883277 /nfs/dbraw/zinc/88/32/77/978883277.db2.gz GKDQSTBOVUOMAU-NWDGAFQWSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCCc2cccs2)CC[C@@H]1CC(=O)[O-] ZINC000814793530 978885877 /nfs/dbraw/zinc/88/58/77/978885877.db2.gz SMUAZDBWRUWFDD-WDEREUQCSA-N -1 0 339.486 2.632 20 30 EFEDRM C[C@H]1C(N=Nc2nnc(-c3ccccc3)n2C)CC[C@H]1CC(=O)[O-] ZINC000814805366 978886356 /nfs/dbraw/zinc/88/63/56/978886356.db2.gz CHYCBFAMAKCTJG-YPMHNXCESA-N -1 0 327.388 2.771 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2cc(C(=O)[O-])cs2)n1 ZINC000814871714 978894360 /nfs/dbraw/zinc/89/43/60/978894360.db2.gz GNJJDOBFYGRLOX-UHFFFAOYSA-N -1 0 333.417 2.919 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1COc2cc(F)cc(F)c21 ZINC000814887988 978896045 /nfs/dbraw/zinc/89/60/45/978896045.db2.gz VHNMJJZEBFMKHI-UHFFFAOYSA-N -1 0 334.278 2.880 20 30 EFEDRM O=C([O-])c1ccc(N=NC2COc3ccc(Br)cc32)nc1 ZINC000814889920 978896386 /nfs/dbraw/zinc/89/63/86/978896386.db2.gz DNOOKLBWGWMXTI-UHFFFAOYSA-N -1 0 348.156 2.751 20 30 EFEDRM O=C([O-])c1cccc(CN=Nc2nnc(-c3ccccn3)s2)c1 ZINC000814910694 978897981 /nfs/dbraw/zinc/89/79/81/978897981.db2.gz CVJLKUJLBABMSP-UHFFFAOYSA-N -1 0 325.353 2.744 20 30 EFEDRM C[C@H]1C(N=Nc2nnc(-c3ccccn3)s2)CC[C@H]1CC(=O)[O-] ZINC000814911142 978898088 /nfs/dbraw/zinc/89/80/88/978898088.db2.gz ULXQNFMZAHGZRJ-ZJUUUORDSA-N -1 0 331.401 2.889 20 30 EFEDRM C[C@](CNC(=O)Nc1ccc(CC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001592682018 979102053 /nfs/dbraw/zinc/10/20/53/979102053.db2.gz JBZXTORWMVZUGL-LJQANCHMSA-N -1 0 337.379 2.917 20 30 EFEDRM CC[C@@H](C)n1nccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595029780 979160613 /nfs/dbraw/zinc/16/06/13/979160613.db2.gz GDCVCWJRSLOTQX-IAQYHMDHSA-N -1 0 327.340 2.708 20 30 EFEDRM CC[C@H](CC#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595030197 979165062 /nfs/dbraw/zinc/16/50/62/979165062.db2.gz LMSQSRNUXNOJPL-LLVKDONJSA-N -1 0 325.162 2.569 20 30 EFEDRM CC[C@@H](CC#N)OC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595030275 979165965 /nfs/dbraw/zinc/16/59/65/979165965.db2.gz NJDVPNSCFZLRIC-NSHDSACASA-N -1 0 326.146 2.996 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000833469011 979189142 /nfs/dbraw/zinc/18/91/42/979189142.db2.gz STJBVNLVHXQDOQ-RYUDHWBXSA-N -1 0 343.305 2.678 20 30 EFEDRM Cc1c(NN=C2CCCc3c2ccc(=O)n3C)cccc1C(=O)[O-] ZINC000844623422 979397618 /nfs/dbraw/zinc/39/76/18/979397618.db2.gz NHLPODCBWQRQDS-UHFFFAOYSA-N -1 0 325.368 2.544 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592780856 979411786 /nfs/dbraw/zinc/41/17/86/979411786.db2.gz NCPHEZPIKOKFGF-QEJZJMRPSA-N -1 0 331.368 2.760 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000849249136 979490520 /nfs/dbraw/zinc/49/05/20/979490520.db2.gz FOONUZOSFMXNMU-FNORWQNLSA-N -1 0 346.358 2.880 20 30 EFEDRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595128384 979527527 /nfs/dbraw/zinc/52/75/27/979527527.db2.gz RMLNQEGWKZKSSW-INIZCTEOSA-N -1 0 343.427 2.798 20 30 EFEDRM CC[C@](C/N=C\c1ccc(O)c(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131559 979555130 /nfs/dbraw/zinc/55/51/30/979555130.db2.gz XCNOLUBYOYILLY-HSNFWNHWSA-N -1 0 329.352 2.655 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592833164 979569132 /nfs/dbraw/zinc/56/91/32/979569132.db2.gz CJXYHJDBNAVRNZ-KBXCAEBGSA-N -1 0 337.375 2.976 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001592833309 979569592 /nfs/dbraw/zinc/56/95/92/979569592.db2.gz FELGZBLNBURUNM-LIRRHRJNSA-N -1 0 348.402 2.775 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001592833306 979570015 /nfs/dbraw/zinc/57/00/15/979570015.db2.gz FELGZBLNBURUNM-AUUYWEPGSA-N -1 0 348.402 2.775 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592833359 979570629 /nfs/dbraw/zinc/57/06/29/979570629.db2.gz GNFDYOFLDRLKMJ-KSSFIOAISA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001592833562 979570823 /nfs/dbraw/zinc/57/08/23/979570823.db2.gz HIMGVMPSKIEGRJ-SNVBAGLBSA-N -1 0 329.381 2.555 20 30 EFEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000863127224 979658510 /nfs/dbraw/zinc/65/85/10/979658510.db2.gz WIAKWJODBQKSCO-LBPRGKRZSA-N -1 0 347.415 2.968 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000863429108 979664159 /nfs/dbraw/zinc/66/41/59/979664159.db2.gz MQEVIXJDSMJMMC-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)COc2ccccc2C#N)cc1)C(=O)[O-] ZINC001592859245 979681487 /nfs/dbraw/zinc/68/14/87/979681487.db2.gz QDXYWLPWVZUBQH-ZDUSSCGKSA-N -1 0 338.363 2.839 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC001592859453 979682483 /nfs/dbraw/zinc/68/24/83/979682483.db2.gz UDUMEYWBEAHNPJ-ZDUSSCGKSA-N -1 0 337.379 2.872 20 30 EFEDRM CC[C@@](CNC(=O)c1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595160251 979683585 /nfs/dbraw/zinc/68/35/85/979683585.db2.gz DOLMTJCHNDMVNF-IBGZPJMESA-N -1 0 340.354 2.860 20 30 EFEDRM C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592891435 979783748 /nfs/dbraw/zinc/78/37/48/979783748.db2.gz PHABEEFXZHDZBO-LBPRGKRZSA-N -1 0 349.818 2.671 20 30 EFEDRM CC[C@H](COC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001595180293 979789974 /nfs/dbraw/zinc/78/99/74/979789974.db2.gz LVKZWCHOGQIQHG-CYBMUJFWSA-N -1 0 348.374 2.568 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000864187504 979833778 /nfs/dbraw/zinc/83/37/78/979833778.db2.gz MKCYMNPPJFQIOH-AWEZNQCLSA-N -1 0 331.372 2.540 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(Br)cc1C)C(=O)[O-] ZINC000864188748 979837412 /nfs/dbraw/zinc/83/74/12/979837412.db2.gz UWPZZUFPNNFZNA-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C[C@H]1C(N=Nc2cc(Br)ncn2)CC[C@@H]1CC(=O)[O-] ZINC000872437030 980075235 /nfs/dbraw/zinc/07/52/35/980075235.db2.gz YULWZXWTUDMWSL-HTQZYQBOSA-N -1 0 327.182 2.528 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C2 ZINC000873000902 980163140 /nfs/dbraw/zinc/16/31/40/980163140.db2.gz ARCMHINUFILHTP-MRXNPFEDSA-N -1 0 326.396 2.567 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000898860786 980224916 /nfs/dbraw/zinc/22/49/16/980224916.db2.gz HUQQEQRRZUVJBF-HOTGVXAUSA-N -1 0 332.400 2.579 20 30 EFEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cc(C(=O)[O-])co1 ZINC000901233947 980260332 /nfs/dbraw/zinc/26/03/32/980260332.db2.gz AYDJXEQSGYYSET-LLVKDONJSA-N -1 0 330.340 2.651 20 30 EFEDRM C[C@@H]1C[C@@H](NN=Cc2cn(CC(=O)[O-])c3ccccc23)C[C@H](C)O1 ZINC000901302157 980260607 /nfs/dbraw/zinc/26/06/07/980260607.db2.gz JGTXPQBVRWZHDL-AGGWBTHJSA-N -1 0 329.400 2.605 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000902071086 980720628 /nfs/dbraw/zinc/72/06/28/980720628.db2.gz ZKUTZANBTZHKQI-LJQANCHMSA-N -1 0 348.402 2.928 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000903059649 980957977 /nfs/dbraw/zinc/95/79/77/980957977.db2.gz SRVHAXXEXCRPNN-RYUDHWBXSA-N -1 0 339.404 2.541 20 30 EFEDRM CCC1CCC(NC(=O)c2ccc(C#N)c(Cl)n2)(C(=O)[O-])CC1 ZINC001595425133 981044692 /nfs/dbraw/zinc/04/46/92/981044692.db2.gz YJJKILKHSJGAEM-UHFFFAOYSA-N -1 0 335.791 2.760 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001595532941 981374024 /nfs/dbraw/zinc/37/40/24/981374024.db2.gz PTCYBXFORZFNKK-UHFFFAOYSA-N -1 0 342.392 2.665 20 30 EFEDRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001594759607 981688455 /nfs/dbraw/zinc/68/84/55/981688455.db2.gz OWVGURFGXUUXLV-OAHLLOKOSA-N -1 0 325.324 2.795 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC001594782441 981790564 /nfs/dbraw/zinc/79/05/64/981790564.db2.gz PNLFXJMQXAEEOW-YJYMSZOUSA-N -1 0 344.411 2.817 20 30 EFEDRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC001595629760 981806556 /nfs/dbraw/zinc/80/65/56/981806556.db2.gz NNKNGGPHFQLSPY-ZDUSSCGKSA-N -1 0 329.805 2.770 20 30 EFEDRM CCCC[C@H](CC)CNC(=S)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595632814 981861066 /nfs/dbraw/zinc/86/10/66/981861066.db2.gz RQPQHVVTXPIZOP-ZDUSSCGKSA-N -1 0 325.478 2.768 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595651965 982028965 /nfs/dbraw/zinc/02/89/65/982028965.db2.gz NDVRHYCHTPAIHK-WDEREUQCSA-N -1 0 341.433 2.990 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595652575 982035336 /nfs/dbraw/zinc/03/53/36/982035336.db2.gz VPWSNNPEHXCHNK-INIZCTEOSA-N -1 0 334.416 2.901 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001595705231 982283405 /nfs/dbraw/zinc/28/34/05/982283405.db2.gz SFNQDDUIUJXEQF-LSDHHAIUSA-N -1 0 328.453 2.868 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001595705405 982285846 /nfs/dbraw/zinc/28/58/46/982285846.db2.gz YZPVBOMNKBGFHA-CABCVRRESA-N -1 0 340.464 2.517 20 30 EFEDRM CCCCCCCS(=O)(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001595709039 982290163 /nfs/dbraw/zinc/29/01/63/982290163.db2.gz RIFOTMRSMRLYIU-INIZCTEOSA-N -1 0 339.457 2.971 20 30 EFEDRM CC[C@H](C)[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001594927370 982524985 /nfs/dbraw/zinc/52/49/85/982524985.db2.gz SXWSJMRVMDIMON-XVKPBYJWSA-N -1 0 330.262 2.628 20 30 EFEDRM N#CC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC2(CC2)C1 ZINC000923062443 982701369 /nfs/dbraw/zinc/70/13/69/982701369.db2.gz NGSPWCQDUOBTKY-UHFFFAOYSA-N -1 0 349.390 2.835 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C(=O)[O-])cc1 ZINC000923065562 982703644 /nfs/dbraw/zinc/70/36/44/982703644.db2.gz PLPJFIRQVXRYDH-KXBFYZLASA-N -1 0 326.396 2.754 20 30 EFEDRM C[C@](CNC(=O)[C@@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923075976 982708191 /nfs/dbraw/zinc/70/81/91/982708191.db2.gz UBIYPNDURRKPTF-MJGOQNOKSA-N -1 0 326.396 2.619 20 30 EFEDRM CC1CC(C#N)(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000923078178 982710018 /nfs/dbraw/zinc/71/00/18/982710018.db2.gz DWEXNUCDCBKUCW-DHMWKWIISA-N -1 0 346.814 2.906 20 30 EFEDRM C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923082346 982712457 /nfs/dbraw/zinc/71/24/57/982712457.db2.gz QHXNJLGHFBHYMK-YJYMSZOUSA-N -1 0 342.395 2.801 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000923100957 982724529 /nfs/dbraw/zinc/72/45/29/982724529.db2.gz CQNBYUCXJCIMFA-UHFFFAOYSA-N -1 0 330.384 2.608 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2cc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC001595894570 982930582 /nfs/dbraw/zinc/93/05/82/982930582.db2.gz LIBXOFQQWQSOTN-UHFFFAOYSA-N -1 0 339.351 2.866 20 30 EFEDRM C=CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001118318622 982952608 /nfs/dbraw/zinc/95/26/08/982952608.db2.gz GZSGSWOEYMYRIG-ZIAGYGMSSA-N -1 0 340.217 2.852 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001119586245 982994148 /nfs/dbraw/zinc/99/41/48/982994148.db2.gz BPRSOPLBRATHKP-OAHLLOKOSA-N -1 0 328.368 2.810 20 30 EFEDRM CCCN1CCCC[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001595910062 983001476 /nfs/dbraw/zinc/00/14/76/983001476.db2.gz YBSFFZXMIXIVCS-INIZCTEOSA-N -1 0 330.384 2.564 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588367314 983298458 /nfs/dbraw/zinc/29/84/58/983298458.db2.gz PTPONRPLSFZAHF-UHFFFAOYSA-N -1 0 343.152 2.820 20 30 EFEDRM C#C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC001588372503 983331838 /nfs/dbraw/zinc/33/18/38/983331838.db2.gz MBZYIUXKXYAUOJ-OAHLLOKOSA-N -1 0 332.375 2.834 20 30 EFEDRM C#C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588372510 983332018 /nfs/dbraw/zinc/33/20/18/983332018.db2.gz MEULRNJSCLXMRL-KRWDZBQOSA-N -1 0 332.359 2.830 20 30 EFEDRM CCCc1c(C(=O)Nc2cc(C)n(CCC#N)n2)[nH]c(C)c1C(=O)[O-] ZINC001596045392 983333071 /nfs/dbraw/zinc/33/30/71/983333071.db2.gz NAEGMHUOIWDARE-UHFFFAOYSA-N -1 0 343.387 2.645 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588372844 983334129 /nfs/dbraw/zinc/33/41/29/983334129.db2.gz UTUFXFHZBPPAPJ-JTDSTZFVSA-N -1 0 326.396 2.647 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001588372793 983334287 /nfs/dbraw/zinc/33/42/87/983334287.db2.gz SVTSLDQRXMFYQG-DOTOQJQBSA-N -1 0 328.412 2.762 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372804 983334434 /nfs/dbraw/zinc/33/44/34/983334434.db2.gz SXJYCTOCGNQKFJ-IUPBHXKESA-N -1 0 338.766 2.516 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)C ZINC001588373043 983335993 /nfs/dbraw/zinc/33/59/93/983335993.db2.gz YTEAKDHXEWJFRF-XHSDSOJGSA-N -1 0 348.830 2.807 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC001588373836 983339903 /nfs/dbraw/zinc/33/99/03/983339903.db2.gz KKQMPHVQCNELKY-ZDUSSCGKSA-N -1 0 331.759 2.873 20 30 EFEDRM CCCc1c(C(=O)OCc2cccnc2C#N)[nH]c(C)c1C(=O)[O-] ZINC001596048462 983344886 /nfs/dbraw/zinc/34/48/86/983344886.db2.gz JUWMCDPWYVNASW-UHFFFAOYSA-N -1 0 327.340 2.598 20 30 EFEDRM C#C[C@@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(Br)cc1 ZINC001588375789 983347771 /nfs/dbraw/zinc/34/77/71/983347771.db2.gz JFKKNMWZLDMFNL-LLVKDONJSA-N -1 0 332.157 2.724 20 30 EFEDRM C#CC1CCC(c2nnc(N3CCC(CCC(=O)[O-])CC3)n2C)CC1 ZINC001588382255 983369966 /nfs/dbraw/zinc/36/99/66/983369966.db2.gz LBKFKSFHGCFAHE-UHFFFAOYSA-N -1 0 344.459 2.803 20 30 EFEDRM C#CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001588382768 983374370 /nfs/dbraw/zinc/37/43/70/983374370.db2.gz HUQWNGSYAUJZKW-UHFFFAOYSA-N -1 0 341.411 2.862 20 30 EFEDRM C#C[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C1 ZINC001588382753 983374432 /nfs/dbraw/zinc/37/44/32/983374432.db2.gz HFGROOIANRMHNF-ZDUSSCGKSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CC=C ZINC001588389955 983390157 /nfs/dbraw/zinc/39/01/57/983390157.db2.gz GTKFHJLWGIHWRT-HBUWYVDXSA-N -1 0 330.432 2.528 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001588390156 983392134 /nfs/dbraw/zinc/39/21/34/983392134.db2.gz MMIICBCMZLOKEI-FRIZHTMISA-N -1 0 344.459 2.752 20 30 EFEDRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001596082505 983400951 /nfs/dbraw/zinc/40/09/51/983400951.db2.gz ZLCIPAOZFXKQAB-HNNXBMFYSA-N -1 0 328.324 2.790 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001588394334 983402301 /nfs/dbraw/zinc/40/23/01/983402301.db2.gz KVFCVMNWSWNCCC-HNNXBMFYSA-N -1 0 338.407 2.948 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588398535 983413091 /nfs/dbraw/zinc/41/30/91/983413091.db2.gz KZONLVMKWVANLB-WTNCMQEWSA-N -1 0 341.285 2.581 20 30 EFEDRM C#CC[C@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588399965 983417570 /nfs/dbraw/zinc/41/75/70/983417570.db2.gz ZPDKBMMAUMWJRJ-OBIHZWKSSA-N -1 0 329.249 2.609 20 30 EFEDRM C#CC[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588408020 983430157 /nfs/dbraw/zinc/43/01/57/983430157.db2.gz VFNIQKNZALIDQN-AAEUAGOBSA-N -1 0 343.408 2.966 20 30 EFEDRM C#CC[C@@H](NC(=O)c1c(C)onc1-c1cccc(Cl)c1)C(=O)[O-] ZINC001588413695 983431802 /nfs/dbraw/zinc/43/18/02/983431802.db2.gz GOHCEYPBTZZZOP-GFCCVEGCSA-N -1 0 332.743 2.510 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)C(=O)[O-] ZINC001588413883 983432443 /nfs/dbraw/zinc/43/24/43/983432443.db2.gz KHGYLFHZGLMSRH-SFHVURJKSA-N -1 0 338.407 2.917 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C(=O)[O-] ZINC001588414043 983432859 /nfs/dbraw/zinc/43/28/59/983432859.db2.gz NBVOAAYCQCZTKC-INIZCTEOSA-N -1 0 344.798 2.954 20 30 EFEDRM C#CC[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001588416510 983436718 /nfs/dbraw/zinc/43/67/18/983436718.db2.gz OFVAXAHIRCKDSY-SFHVURJKSA-N -1 0 346.386 2.896 20 30 EFEDRM CCCn1ncc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c1C ZINC001596120283 983454040 /nfs/dbraw/zinc/45/40/40/983454040.db2.gz HLKZLSHUGJXDEH-UHFFFAOYSA-N -1 0 326.352 2.508 20 30 EFEDRM C#CCC1(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCC1 ZINC001588427619 983457132 /nfs/dbraw/zinc/45/71/32/983457132.db2.gz GGHKZSHXQPAQDT-UHFFFAOYSA-N -1 0 344.411 2.675 20 30 EFEDRM C#CCC1(C(=O)N(CCCOCC)C[C@H](C)C(=O)[O-])CCCCC1 ZINC001588428495 983462139 /nfs/dbraw/zinc/46/21/39/983462139.db2.gz QMVBNIZPKFCKSW-INIZCTEOSA-N -1 0 337.460 2.936 20 30 EFEDRM C#CCC1(C(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)CCCCC1 ZINC001588428664 983463023 /nfs/dbraw/zinc/46/30/23/983463023.db2.gz XACLMOABDLOLNH-FQEVSTJZSA-N -1 0 347.455 2.569 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588434902 983473300 /nfs/dbraw/zinc/47/33/00/983473300.db2.gz XNQYCHHZVDQGID-VXGBXAGGSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CSC1 ZINC001588459644 983485475 /nfs/dbraw/zinc/48/54/75/983485475.db2.gz FYKHUEBSERVGJI-UHFFFAOYSA-N -1 0 332.425 2.631 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1)C1CCCC1 ZINC001588460035 983486681 /nfs/dbraw/zinc/48/66/81/983486681.db2.gz QCOJNDFOTUQFGP-UHFFFAOYSA-N -1 0 344.367 2.581 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001588465769 983496057 /nfs/dbraw/zinc/49/60/57/983496057.db2.gz GWCOWOPRDBBXLL-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588468192 983500358 /nfs/dbraw/zinc/50/03/58/983500358.db2.gz QOSLSPFFKCLQBW-UHFFFAOYSA-N -1 0 339.189 2.943 20 30 EFEDRM C#CCN(Cc1ccc(C(=O)[O-])c(Br)c1)C1CSC1 ZINC001588469531 983502468 /nfs/dbraw/zinc/50/24/68/983502468.db2.gz KIEYALNSPYSNNT-UHFFFAOYSA-N -1 0 340.242 2.698 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001588470004 983504335 /nfs/dbraw/zinc/50/43/35/983504335.db2.gz YKSQMCWFBDVULQ-CSKARUKUSA-N -1 0 327.311 2.792 20 30 EFEDRM C#CCOc1ccc(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001588497760 983541137 /nfs/dbraw/zinc/54/11/37/983541137.db2.gz ZNIGPUCUYCMCHQ-RXVVDRJESA-N -1 0 349.386 2.573 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588498087 983543280 /nfs/dbraw/zinc/54/32/80/983543280.db2.gz VLTBJIVEUDSZKE-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001588499280 983545411 /nfs/dbraw/zinc/54/54/11/983545411.db2.gz USFIIXCCCUOEMQ-OAHLLOKOSA-N -1 0 337.375 2.814 20 30 EFEDRM C#CCSCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588504791 983548931 /nfs/dbraw/zinc/54/89/31/983548931.db2.gz LOGHJCVNQXCZQY-CQSZACIVSA-N -1 0 346.235 2.776 20 30 EFEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596179086 983549334 /nfs/dbraw/zinc/54/93/34/983549334.db2.gz ZDAYLVRBWDOILP-NSHDSACASA-N -1 0 348.380 2.621 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001588510597 983556119 /nfs/dbraw/zinc/55/61/19/983556119.db2.gz FPEKJRNUPAZJJR-IBGZPJMESA-N -1 0 325.339 2.623 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cn1 ZINC001588511212 983558744 /nfs/dbraw/zinc/55/87/44/983558744.db2.gz SVMBTHQMUBMCAS-CQSZACIVSA-N -1 0 348.280 2.637 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cn1 ZINC001588511208 983558761 /nfs/dbraw/zinc/55/87/61/983558761.db2.gz SVMBTHQMUBMCAS-AWEZNQCLSA-N -1 0 348.280 2.637 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588511376 983559169 /nfs/dbraw/zinc/55/91/69/983559169.db2.gz VXMJYWOKOINAOF-LSDHHAIUSA-N -1 0 337.379 2.623 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001588511534 983559915 /nfs/dbraw/zinc/55/99/15/983559915.db2.gz XYDBZABWJHRKEV-QGZVFWFLSA-N -1 0 328.412 2.997 20 30 EFEDRM C#Cc1ccc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)nc1 ZINC001588516915 983563093 /nfs/dbraw/zinc/56/30/93/983563093.db2.gz HPWMXTMTQKJRBC-LSDHHAIUSA-N -1 0 328.318 2.646 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001588517561 983565203 /nfs/dbraw/zinc/56/52/03/983565203.db2.gz VHCMSQJIXLLBDH-UHFFFAOYSA-N -1 0 338.363 2.843 20 30 EFEDRM C#Cc1cccc(NC(=O)CN[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001588523217 983571452 /nfs/dbraw/zinc/57/14/52/983571452.db2.gz AVVFYCAPYJCRDN-KRWDZBQOSA-N -1 0 342.782 2.675 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001588524518 983575297 /nfs/dbraw/zinc/57/52/97/983575297.db2.gz MUOMPHPFFBDIMD-CQSZACIVSA-N -1 0 337.375 2.551 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588524573 983575453 /nfs/dbraw/zinc/57/54/53/983575453.db2.gz NUPOPZPCEGQWFP-UHFFFAOYSA-N -1 0 343.329 2.602 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588528694 983577803 /nfs/dbraw/zinc/57/78/03/983577803.db2.gz DYFHKPPBLOOJEM-VIFPVBQESA-N -1 0 341.205 2.980 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC001588529402 983581341 /nfs/dbraw/zinc/58/13/41/983581341.db2.gz YFMWFTGFPNXCDS-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001588529432 983581355 /nfs/dbraw/zinc/58/13/55/983581355.db2.gz YYFGWWORTNUVKR-UHFFFAOYSA-N -1 0 326.377 2.881 20 30 EFEDRM C=C(C)[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535070 983587818 /nfs/dbraw/zinc/58/78/18/983587818.db2.gz KBKHFCQAONBUCM-ZDUSSCGKSA-N -1 0 326.343 2.992 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588535570 983589368 /nfs/dbraw/zinc/58/93/68/983589368.db2.gz JNFRUGDDYADLCU-BXKDBHETSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588536916 983596777 /nfs/dbraw/zinc/59/67/77/983596777.db2.gz VQJNPVPKRRDUCA-XJKSGUPXSA-N -1 0 348.399 2.634 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001588546262 983614658 /nfs/dbraw/zinc/61/46/58/983614658.db2.gz COKJCQDRZSAYKH-CQSZACIVSA-N -1 0 330.359 2.980 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(SC(F)(F)F)nc1)C(=O)[O-] ZINC001588547191 983618718 /nfs/dbraw/zinc/61/87/18/983618718.db2.gz VQFBPRRMQMTGDQ-VIFPVBQESA-N -1 0 334.319 2.843 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588547702 983621255 /nfs/dbraw/zinc/62/12/55/983621255.db2.gz MBEWPYQXXWKGHX-GFCCVEGCSA-N -1 0 342.754 2.587 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1scc(C)c1Br)C(=O)[O-] ZINC001588548667 983624814 /nfs/dbraw/zinc/62/48/14/983624814.db2.gz WIXZSMGCMZXTSX-QMMMGPOBSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccn(Cc2ccccc2)c1C)C(=O)[O-] ZINC001588548758 983625277 /nfs/dbraw/zinc/62/52/77/983625277.db2.gz TTZURJJQCAZQKJ-QGZVFWFLSA-N -1 0 326.396 2.994 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001588548976 983626110 /nfs/dbraw/zinc/62/61/10/983626110.db2.gz ZYAPYLDUYXWVEB-IAGOWNOFSA-N -1 0 345.395 2.776 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)[O-] ZINC001588553036 983626936 /nfs/dbraw/zinc/62/69/36/983626936.db2.gz GGLNJUYZFRREGX-FWWRYZNZSA-N -1 0 329.805 2.650 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)c(F)c1)C(=O)[O-] ZINC001588555607 983636088 /nfs/dbraw/zinc/63/60/88/983636088.db2.gz NFHPDGVTIPMKKH-CQSZACIVSA-N -1 0 343.420 2.821 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1c(C)cc(C(=O)[O-])cc1Cl ZINC001588562821 983643880 /nfs/dbraw/zinc/64/38/80/983643880.db2.gz HWUMSRWWVLZDJH-UHFFFAOYSA-N -1 0 338.791 2.710 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001588563353 983645210 /nfs/dbraw/zinc/64/52/10/983645210.db2.gz RSQAUSCHVHMKCY-UHFFFAOYSA-N -1 0 334.372 2.976 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001588567852 983648008 /nfs/dbraw/zinc/64/80/08/983648008.db2.gz UJZLGCRVCWQVBK-UHFFFAOYSA-N -1 0 347.371 2.717 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588569842 983650209 /nfs/dbraw/zinc/65/02/09/983650209.db2.gz NCFPPXFMCRXIRU-UHFFFAOYSA-N -1 0 338.429 2.968 20 30 EFEDRM C=C(C)CONC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588573258 983652117 /nfs/dbraw/zinc/65/21/17/983652117.db2.gz GSJZOAOUZHWQEQ-JTQLQIEISA-N -1 0 325.390 2.504 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)on2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588577205 983655879 /nfs/dbraw/zinc/65/58/79/983655879.db2.gz QNFMIRFONRMSNX-KRWDZBQOSA-N -1 0 345.403 2.509 20 30 EFEDRM C=C(C)Cn1c(-c2cscn2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588588817 983664482 /nfs/dbraw/zinc/66/44/82/983664482.db2.gz AOHCVHAETSBKNW-INIZCTEOSA-N -1 0 347.444 2.669 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)SC)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588588870 983664743 /nfs/dbraw/zinc/66/47/43/983664743.db2.gz BQBZCEYQTBUNHA-YNEHKIRRSA-N -1 0 338.477 2.825 20 30 EFEDRM C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588589038 983665606 /nfs/dbraw/zinc/66/56/06/983665606.db2.gz FSBHMUSHEAMXTQ-LBPRGKRZSA-N -1 0 347.444 2.587 20 30 EFEDRM C=C(C)Cn1c([C@H](O)CC)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588591568 983673445 /nfs/dbraw/zinc/67/34/45/983673445.db2.gz KLOMXBYOLRZHJO-CQSZACIVSA-N -1 0 348.403 2.534 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588591711 983674276 /nfs/dbraw/zinc/67/42/76/983674276.db2.gz LXTMLGFTCALXPV-MGPQQGTHSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c(C2CC=CC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588592143 983675900 /nfs/dbraw/zinc/67/59/00/983675900.db2.gz SEAWBMLCKSPGPT-UKRRQHHQSA-N -1 0 330.432 2.835 20 30 EFEDRM C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588597549 983679746 /nfs/dbraw/zinc/67/97/46/983679746.db2.gz HGOISFZEWUFTIL-CQSZACIVSA-N -1 0 346.353 2.650 20 30 EFEDRM C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588597771 983680610 /nfs/dbraw/zinc/68/06/10/983680610.db2.gz LMCWKYLRORGZGV-OAHLLOKOSA-N -1 0 345.447 2.782 20 30 EFEDRM C=C(C)Cn1c(CC(F)(F)F)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588598150 983681856 /nfs/dbraw/zinc/68/18/56/983681856.db2.gz SOSGGAUDOLVGQJ-HZMBPMFUSA-N -1 0 346.353 2.506 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nnc1C(C)(F)F ZINC001588598497 983684208 /nfs/dbraw/zinc/68/42/08/983684208.db2.gz DWWPRWNKHAZDKZ-ZBEGNZNMSA-N -1 0 340.374 2.657 20 30 EFEDRM C=C(C)Cn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C(C)(C)C#N ZINC001588598470 983684234 /nfs/dbraw/zinc/68/42/34/983684234.db2.gz DBAWHZJEMQMZKZ-UHFFFAOYSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)Cn1c(Cc2ccco2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588598592 983684639 /nfs/dbraw/zinc/68/46/39/983684639.db2.gz HWMLYBCJYJZXGJ-SFHVURJKSA-N -1 0 344.415 2.729 20 30 EFEDRM C=C(C)Cn1c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnc1C(C)(F)F ZINC001588598760 983686010 /nfs/dbraw/zinc/68/60/10/983686010.db2.gz NHIUMXNRYQHQAC-NWDGAFQWSA-N -1 0 340.374 2.513 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1cncs1)Cc1cncs1 ZINC001588611977 983701417 /nfs/dbraw/zinc/70/14/17/983701417.db2.gz DIRCQKRMNUMJEH-UHFFFAOYSA-N -1 0 337.426 2.549 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC001588613954 983705814 /nfs/dbraw/zinc/70/58/14/983705814.db2.gz HTXUCLKFEUBUTJ-UHFFFAOYSA-N -1 0 330.428 2.880 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001588614249 983706924 /nfs/dbraw/zinc/70/69/24/983706924.db2.gz PIUUSCJAMQLWKC-UHFFFAOYSA-N -1 0 327.384 2.690 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001588614401 983707603 /nfs/dbraw/zinc/70/76/03/983707603.db2.gz UADLQGQFKBDIID-UHFFFAOYSA-N -1 0 331.412 2.984 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC001588614803 983709083 /nfs/dbraw/zinc/70/90/83/983709083.db2.gz CIUFGJGLAKZCCZ-HNNXBMFYSA-N -1 0 341.411 2.757 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N=c1n(CC)c2ccccc2n1CCC ZINC001588619282 983715875 /nfs/dbraw/zinc/71/58/75/983715875.db2.gz PTLDTWCJOKXGFT-UHFFFAOYSA-N -1 0 329.400 2.721 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001588619371 983716289 /nfs/dbraw/zinc/71/62/89/983716289.db2.gz RKJVUSBUEZLMST-HNNXBMFYSA-N -1 0 347.411 2.961 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001588619372 983716360 /nfs/dbraw/zinc/71/63/60/983716360.db2.gz RKJVUSBUEZLMST-OAHLLOKOSA-N -1 0 347.411 2.961 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001588622083 983721828 /nfs/dbraw/zinc/72/18/28/983721828.db2.gz OLTMRVBNPOTZED-NSHDSACASA-N -1 0 332.183 2.564 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC001588622081 983721878 /nfs/dbraw/zinc/72/18/78/983721878.db2.gz OLTMRVBNPOTZED-LLVKDONJSA-N -1 0 332.183 2.564 20 30 EFEDRM CCN(CCC#N)C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001596299557 983724778 /nfs/dbraw/zinc/72/47/78/983724778.db2.gz OVXPCHZMCKCMEM-UHFFFAOYSA-N -1 0 344.198 2.866 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001588629696 983738936 /nfs/dbraw/zinc/73/89/36/983738936.db2.gz QUDLWTACOXXZKG-ZDUSSCGKSA-N -1 0 337.347 2.743 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC001588629810 983739355 /nfs/dbraw/zinc/73/93/55/983739355.db2.gz VDILEUUFBHFUAC-UHFFFAOYSA-N -1 0 325.748 2.861 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC001588630546 983745029 /nfs/dbraw/zinc/74/50/29/983745029.db2.gz QJLHFHJHKDISLY-QWHCGFSZSA-N -1 0 338.201 2.842 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC001588630655 983745305 /nfs/dbraw/zinc/74/53/05/983745305.db2.gz VTCDYSHGMMUMCR-MOPGFXCFSA-N -1 0 339.391 2.999 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nccn1Cc1ccccc1Cl ZINC001588632936 983746943 /nfs/dbraw/zinc/74/69/43/983746943.db2.gz FUBZWGSHYBKBFW-UHFFFAOYSA-N -1 0 333.775 2.944 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC001588633210 983748726 /nfs/dbraw/zinc/74/87/26/983748726.db2.gz FFYZPPYBQNUNRL-UHFFFAOYSA-N -1 0 333.384 2.852 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cnc(OC)c(Br)c1C ZINC001588633449 983749478 /nfs/dbraw/zinc/74/94/78/983749478.db2.gz HHWOHQAHWLBPMC-UHFFFAOYSA-N -1 0 343.177 2.521 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588634101 983752275 /nfs/dbraw/zinc/75/22/75/983752275.db2.gz WMOKBPMDQNVOFG-UHFFFAOYSA-N -1 0 329.711 2.625 20 30 EFEDRM C=C(Cl)CNC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588641382 983762109 /nfs/dbraw/zinc/76/21/09/983762109.db2.gz AQFADQIORATLCP-VIFPVBQESA-N -1 0 329.809 2.749 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)CC(=O)[O-])s1 ZINC001588643574 983766618 /nfs/dbraw/zinc/76/66/18/983766618.db2.gz MKRINMXQPIIYTD-QMMMGPOBSA-N -1 0 348.877 2.818 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001588649801 983770556 /nfs/dbraw/zinc/77/05/56/983770556.db2.gz FBUCVJWVENNDCV-UHFFFAOYSA-N -1 0 327.377 2.549 20 30 EFEDRM C=C1CCC(C(=O)Nc2c(C(=O)[O-])nnn2-c2ccccc2)CC1 ZINC001588649978 983771314 /nfs/dbraw/zinc/77/13/14/983771314.db2.gz QAQOBQSWCFUEOP-UHFFFAOYSA-N -1 0 326.356 2.650 20 30 EFEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1)c1ccccc1 ZINC001588661456 983786232 /nfs/dbraw/zinc/78/62/32/983786232.db2.gz IZVIESPPTULYAU-WNRNVDISSA-N -1 0 343.423 2.827 20 30 EFEDRM C=C[C@@H](C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC001588664051 983798353 /nfs/dbraw/zinc/79/83/53/983798353.db2.gz NCPSIPGVJOUBPI-QZTJIDSGSA-N -1 0 337.375 2.700 20 30 EFEDRM C=C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC001588664560 983801797 /nfs/dbraw/zinc/80/17/97/983801797.db2.gz RSOOZCRICPEFPB-SJORKVTESA-N -1 0 325.364 2.907 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664784 983804436 /nfs/dbraw/zinc/80/44/36/983804436.db2.gz VYGCXGFPZBSLJH-UONOGXRCSA-N -1 0 332.400 2.582 20 30 EFEDRM C=CC(C)(C)CC(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001588672875 983827859 /nfs/dbraw/zinc/82/78/59/983827859.db2.gz CHMDUECHLSPXGD-UHFFFAOYSA-N -1 0 328.372 2.565 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588672899 983827909 /nfs/dbraw/zinc/82/79/09/983827909.db2.gz DHAUMEHSVIZXAA-LBPRGKRZSA-N -1 0 334.420 2.708 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001588673139 983828831 /nfs/dbraw/zinc/82/88/31/983828831.db2.gz LJUYOCPDMLKWTH-UHFFFAOYSA-N -1 0 325.434 2.675 20 30 EFEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001588676824 983831417 /nfs/dbraw/zinc/83/14/17/983831417.db2.gz DCJXRHPECKNLMD-UHFFFAOYSA-N -1 0 347.415 2.615 20 30 EFEDRM C=CC(C)(C)CNC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588676905 983832362 /nfs/dbraw/zinc/83/23/62/983832362.db2.gz JPUOUSRDFHXCQY-UHFFFAOYSA-N -1 0 332.400 2.673 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588677187 983834419 /nfs/dbraw/zinc/83/44/19/983834419.db2.gz WNOZZBCBVZRDTA-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588683127 983846295 /nfs/dbraw/zinc/84/62/95/983846295.db2.gz VDNRXYYIZOQMBA-FRQCXROJSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C[C@H](C)ONC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588687644 983871412 /nfs/dbraw/zinc/87/14/12/983871412.db2.gz QSGCMWXLSPEHIR-ZDUSSCGKSA-N -1 0 332.400 2.855 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588688085 983873698 /nfs/dbraw/zinc/87/36/98/983873698.db2.gz YCQJNZIFNHIDNF-ZCFIWIBFSA-N -1 0 347.140 2.914 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccccc1 ZINC001588691082 983878598 /nfs/dbraw/zinc/87/85/98/983878598.db2.gz QUIKFSXSRHGBHF-CQSZACIVSA-N -1 0 342.395 2.568 20 30 EFEDRM C=C[C@@H](Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001588702550 983921042 /nfs/dbraw/zinc/92/10/42/983921042.db2.gz UJSNIZIDVQQAHZ-QGZVFWFLSA-N -1 0 349.394 2.634 20 30 EFEDRM C=C[C@H](Nc1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588702601 983921472 /nfs/dbraw/zinc/92/14/72/983921472.db2.gz VVACEQXMLVZRIQ-INIZCTEOSA-N -1 0 326.352 2.755 20 30 EFEDRM CCN1CC(=O)N(c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1=O ZINC001596394796 983931354 /nfs/dbraw/zinc/93/13/54/983931354.db2.gz NKAIYBDXPGYRSU-UHFFFAOYSA-N -1 0 348.358 2.573 20 30 EFEDRM C=C[C@@H](OC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1)C(=O)[O-] ZINC001588713547 983949848 /nfs/dbraw/zinc/94/98/48/983949848.db2.gz YLEUNRNSLITYHG-CQSZACIVSA-N -1 0 333.384 2.601 20 30 EFEDRM C=C[C@@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)[O-] ZINC001588714543 983952100 /nfs/dbraw/zinc/95/21/00/983952100.db2.gz JCKBFXMHKVISJH-CQSZACIVSA-N -1 0 326.377 2.818 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588718435 983957021 /nfs/dbraw/zinc/95/70/21/983957021.db2.gz BOZZUFLZDWEMKS-ZDUSSCGKSA-N -1 0 341.371 2.538 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588719421 983960460 /nfs/dbraw/zinc/96/04/60/983960460.db2.gz QYSAQGKILJJKBG-CQSZACIVSA-N -1 0 328.372 2.693 20 30 EFEDRM C=CCC(C)(C)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588736412 984024516 /nfs/dbraw/zinc/02/45/16/984024516.db2.gz IYDZCIASCAAQGB-GFCCVEGCSA-N -1 0 333.384 2.535 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588736513 984025493 /nfs/dbraw/zinc/02/54/93/984025493.db2.gz MJNNFOPLADEFEH-UHFFFAOYSA-N -1 0 332.400 2.891 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001588736831 984027393 /nfs/dbraw/zinc/02/73/93/984027393.db2.gz WCQAZUSJDBAGPW-UHFFFAOYSA-N -1 0 332.400 2.659 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588742305 984031820 /nfs/dbraw/zinc/03/18/20/984031820.db2.gz ALWZZTGOYOXNQC-LLVKDONJSA-N -1 0 333.718 2.802 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588742307 984031952 /nfs/dbraw/zinc/03/19/52/984031952.db2.gz ALWZZTGOYOXNQC-NSHDSACASA-N -1 0 333.718 2.802 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588744567 984043970 /nfs/dbraw/zinc/04/39/70/984043970.db2.gz PAGINKAKLBQTFC-IXDOHACOSA-N -1 0 331.412 2.702 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001588745265 984049840 /nfs/dbraw/zinc/04/98/40/984049840.db2.gz WWECHNRSKPCHRA-HNNXBMFYSA-N -1 0 328.368 2.964 20 30 EFEDRM C=CC[C@@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588750466 984071891 /nfs/dbraw/zinc/07/18/91/984071891.db2.gz FABZOQUEPWDPKJ-GFCCVEGCSA-N -1 0 325.292 2.584 20 30 EFEDRM C=CC[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001588750469 984072166 /nfs/dbraw/zinc/07/21/66/984072166.db2.gz FABZOQUEPWDPKJ-LBPRGKRZSA-N -1 0 325.292 2.584 20 30 EFEDRM C=CCC1(C(=O)O[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC001588764511 984122104 /nfs/dbraw/zinc/12/21/04/984122104.db2.gz CCETXWIVCJYROF-ZDUSSCGKSA-N -1 0 345.395 2.679 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2scc(C)c2C(=O)[O-])CCCC1 ZINC001588767076 984127659 /nfs/dbraw/zinc/12/76/59/984127659.db2.gz HRVOOGWLBXMASV-UHFFFAOYSA-N -1 0 336.413 2.698 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CCCC1 ZINC001588767094 984128343 /nfs/dbraw/zinc/12/83/43/984128343.db2.gz IODDCXHNEKGVPO-UHFFFAOYSA-N -1 0 341.404 2.939 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCC1 ZINC001588767191 984128740 /nfs/dbraw/zinc/12/87/40/984128740.db2.gz OBLXHSCBMQXULL-UHFFFAOYSA-N -1 0 330.384 2.637 20 30 EFEDRM C=CCC1(CNC(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CCCC1 ZINC001588767310 984130101 /nfs/dbraw/zinc/13/01/01/984130101.db2.gz UIMHHNVKMSZVSF-ZDUSSCGKSA-N -1 0 346.431 2.852 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CCCC1 ZINC001588769441 984133429 /nfs/dbraw/zinc/13/34/29/984133429.db2.gz UMQPFGKAYBOBGV-UHFFFAOYSA-N -1 0 327.377 2.691 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001588769460 984133437 /nfs/dbraw/zinc/13/34/37/984133437.db2.gz VBWMRIRTLSTUIG-UHFFFAOYSA-N -1 0 340.326 2.598 20 30 EFEDRM C=CCC1(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)CCCCC1 ZINC001588769518 984133933 /nfs/dbraw/zinc/13/39/33/984133933.db2.gz WGLKTFNUWABJDH-UHFFFAOYSA-N -1 0 329.462 2.830 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)CCCC1 ZINC001588769537 984133941 /nfs/dbraw/zinc/13/39/41/984133941.db2.gz XREUXIRGBHOODO-UHFFFAOYSA-N -1 0 341.404 2.620 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588770770 984136189 /nfs/dbraw/zinc/13/61/89/984136189.db2.gz GKXLANYNJKKENE-CMPLNLGQSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588771699 984140696 /nfs/dbraw/zinc/14/06/96/984140696.db2.gz YCSDXDSJYNMJKT-BXUZGUMPSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C1 ZINC001588772640 984144108 /nfs/dbraw/zinc/14/41/08/984144108.db2.gz KKVJIFJSBWTSSV-CQSZACIVSA-N -1 0 337.441 2.978 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588777475 984156507 /nfs/dbraw/zinc/15/65/07/984156507.db2.gz ABWDREJTDKHVNK-GFCCVEGCSA-N -1 0 328.368 2.987 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001588777868 984158472 /nfs/dbraw/zinc/15/84/72/984158472.db2.gz NRNJTIGORJLTSN-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001588778002 984158853 /nfs/dbraw/zinc/15/88/53/984158853.db2.gz OZDCOQKYPRHCED-UHFFFAOYSA-N -1 0 343.383 2.666 20 30 EFEDRM C=CCC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778671 984161783 /nfs/dbraw/zinc/16/17/83/984161783.db2.gz IQRYKOISFDUGCX-KBMXLJTQSA-N -1 0 332.400 2.577 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CCCC1 ZINC001588779027 984164124 /nfs/dbraw/zinc/16/41/24/984164124.db2.gz QPEQQQMTUCEQCS-UONOGXRCSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)c1ccccc1 ZINC001588779161 984164495 /nfs/dbraw/zinc/16/44/95/984164495.db2.gz UFZWNDBJOUVRBT-ZDUSSCGKSA-N -1 0 328.372 2.947 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001588779328 984165240 /nfs/dbraw/zinc/16/52/40/984165240.db2.gz WOBGKRORYQOHHD-INIZCTEOSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588781830 984168385 /nfs/dbraw/zinc/16/83/85/984168385.db2.gz JSJUAJBKDXMMHO-CYBMUJFWSA-N -1 0 341.404 2.952 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)c2cccnc2C(=O)[O-])CCCC1 ZINC001588782126 984170475 /nfs/dbraw/zinc/17/04/75/984170475.db2.gz PYYOLUGJSMWQPA-UHFFFAOYSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCC1(CNC(=O)COCc2ocnc2C(=O)[O-])CCCC1 ZINC001588782184 984171011 /nfs/dbraw/zinc/17/10/11/984171011.db2.gz RRBWPCARHIEVCQ-UHFFFAOYSA-N -1 0 336.388 2.532 20 30 EFEDRM C=CCCCC(=O)O[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588782603 984173313 /nfs/dbraw/zinc/17/33/13/984173313.db2.gz JZHQRNYWFUZKIJ-JTQLQIEISA-N -1 0 325.386 2.981 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588782669 984174102 /nfs/dbraw/zinc/17/41/02/984174102.db2.gz YVUZTTVRDQJWAD-OLZOCXBDSA-N -1 0 332.404 2.556 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001588783105 984176729 /nfs/dbraw/zinc/17/67/29/984176729.db2.gz XWXARFAWGRCLPN-STQMWFEESA-N -1 0 332.400 2.674 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCC(=O)c1ccc(Cl)cn1)C(=O)[O-] ZINC001588788946 984194615 /nfs/dbraw/zinc/19/46/15/984194615.db2.gz SHGYNTRHDJJDIB-ZDUSSCGKSA-N -1 0 338.791 2.624 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC001588789737 984200833 /nfs/dbraw/zinc/20/08/33/984200833.db2.gz IQSPEYMDLIYPPM-OAHLLOKOSA-N -1 0 346.383 2.942 20 30 EFEDRM C=CCCC[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC001588789736 984201074 /nfs/dbraw/zinc/20/10/74/984201074.db2.gz IQSPEYMDLIYPPM-HNNXBMFYSA-N -1 0 346.383 2.942 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC001588792320 984208050 /nfs/dbraw/zinc/20/80/50/984208050.db2.gz CWYKJEKZONUELQ-LBPRGKRZSA-N -1 0 346.383 2.724 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC001588792290 984208135 /nfs/dbraw/zinc/20/81/35/984208135.db2.gz BXUKDBJQYOBMIY-LBPRGKRZSA-N -1 0 339.775 2.651 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(=O)[O-] ZINC001588792415 984209367 /nfs/dbraw/zinc/20/93/67/984209367.db2.gz GVBCEMUJRQVUHI-LLVKDONJSA-N -1 0 331.328 2.615 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001588793006 984215055 /nfs/dbraw/zinc/21/50/55/984215055.db2.gz JVGLDRNJZCCYPP-LLVKDONJSA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC001588793383 984218266 /nfs/dbraw/zinc/21/82/66/984218266.db2.gz PXDRHMCGORNJNO-HNNXBMFYSA-N -1 0 330.384 2.501 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(C)c(-c2cnn(C)c2)c1)C(=O)[O-] ZINC001588793479 984219551 /nfs/dbraw/zinc/21/95/51/984219551.db2.gz YCRNUXGFHVJWNK-QGZVFWFLSA-N -1 0 341.411 2.935 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588793737 984221318 /nfs/dbraw/zinc/22/13/18/984221318.db2.gz ZNJJUVUZDUEUQF-LLVKDONJSA-N -1 0 338.385 2.856 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001588793750 984221764 /nfs/dbraw/zinc/22/17/64/984221764.db2.gz ZYRFFHQPIJLZPO-SNVBAGLBSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001588793749 984221876 /nfs/dbraw/zinc/22/18/76/984221876.db2.gz ZYRFFHQPIJLZPO-JTQLQIEISA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588793933 984223028 /nfs/dbraw/zinc/22/30/28/984223028.db2.gz GCYNBEDRYIDHJM-SNVBAGLBSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC001588797707 984231274 /nfs/dbraw/zinc/23/12/74/984231274.db2.gz JUHUHMWBPVFENU-ZDUSSCGKSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncsc1Nc1cccnc1)C(=O)[O-] ZINC001588798026 984232757 /nfs/dbraw/zinc/23/27/57/984232757.db2.gz RPOIFBXRMPGCIG-GFCCVEGCSA-N -1 0 346.412 2.821 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1oc(=O)c2ccccc2c1C)C(=O)[O-] ZINC001588798119 984233394 /nfs/dbraw/zinc/23/33/94/984233394.db2.gz UIHGQOLPGBOVOR-CQSZACIVSA-N -1 0 329.352 2.641 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC001588798209 984234410 /nfs/dbraw/zinc/23/44/10/984234410.db2.gz XQAIDFYHUXSKNS-OAHLLOKOSA-N -1 0 325.430 2.532 20 30 EFEDRM C=CCCCCCCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001588798719 984238171 /nfs/dbraw/zinc/23/81/71/984238171.db2.gz PMZKXWLMJLQPEX-UHFFFAOYSA-N -1 0 334.420 2.743 20 30 EFEDRM C=CCCCCCCCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588798936 984239886 /nfs/dbraw/zinc/23/98/86/984239886.db2.gz VQFSWQSSNNSFLI-GJZGRUSLSA-N -1 0 326.437 2.787 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001588799895 984242838 /nfs/dbraw/zinc/24/28/38/984242838.db2.gz OAUCXIKUWCUGPB-UHFFFAOYSA-N -1 0 338.429 2.898 20 30 EFEDRM C=CCCCN(CC)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588801620 984246115 /nfs/dbraw/zinc/24/61/15/984246115.db2.gz OZAWYAPQZDIYBW-UHFFFAOYSA-N -1 0 334.416 2.934 20 30 EFEDRM C=CCCCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588802085 984247839 /nfs/dbraw/zinc/24/78/39/984247839.db2.gz BIUPQEUSUJQONK-UHFFFAOYSA-N -1 0 342.754 2.588 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1c(C)cc(C(=O)[O-])cc1Cl ZINC001588802485 984249644 /nfs/dbraw/zinc/24/96/44/984249644.db2.gz OOZJOIHUCDMNPF-UHFFFAOYSA-N -1 0 338.791 2.710 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588803661 984251118 /nfs/dbraw/zinc/25/11/18/984251118.db2.gz BHXLGGHDGHNENC-NSHDSACASA-N -1 0 344.458 2.583 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001588803659 984251140 /nfs/dbraw/zinc/25/11/40/984251140.db2.gz BHHLFSOSXBUFAQ-CQSZACIVSA-N -1 0 340.445 2.546 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001588814632 984271700 /nfs/dbraw/zinc/27/17/00/984271700.db2.gz IYSHOSOQHQRHKO-CZUORRHYSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001588814662 984271903 /nfs/dbraw/zinc/27/19/03/984271903.db2.gz KJNPIKLVGZCBKM-OAHLLOKOSA-N -1 0 337.441 2.584 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001588814672 984272002 /nfs/dbraw/zinc/27/20/02/984272002.db2.gz KTNJHMQIUFXLQV-KRWDZBQOSA-N -1 0 337.441 2.681 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc1 ZINC001588814770 984272823 /nfs/dbraw/zinc/27/28/23/984272823.db2.gz QILXNMXOYKZNEX-XJKSGUPXSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC001588814884 984273874 /nfs/dbraw/zinc/27/38/74/984273874.db2.gz XFCWMYGBJPUIRA-UHFFFAOYSA-N -1 0 325.430 2.537 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12)C1CC1 ZINC001588820411 984283531 /nfs/dbraw/zinc/28/35/31/984283531.db2.gz AJVBSLYXZYCYTA-UHFFFAOYSA-N -1 0 341.367 2.881 20 30 EFEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@H](C)COC ZINC001588820507 984284831 /nfs/dbraw/zinc/28/48/31/984284831.db2.gz HIDHZNOHZYAMRR-GFCCVEGCSA-N -1 0 343.383 2.988 20 30 EFEDRM C=CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)[C@H](C)COC ZINC001588820790 984286227 /nfs/dbraw/zinc/28/62/27/984286227.db2.gz RZXMJTNACZHPCX-LLVKDONJSA-N -1 0 331.372 2.921 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001588828589 984307749 /nfs/dbraw/zinc/30/77/49/984307749.db2.gz BUBUKNSKWDXRJM-QGZVFWFLSA-N -1 0 330.428 2.928 20 30 EFEDRM C=CCN(CCOC)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588828890 984310290 /nfs/dbraw/zinc/31/02/90/984310290.db2.gz RSAIMFHVFBOOCH-UHFFFAOYSA-N -1 0 336.388 2.838 20 30 EFEDRM C=CCN(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588829030 984310579 /nfs/dbraw/zinc/31/05/79/984310579.db2.gz ZFLCNHWSGISRIV-UHFFFAOYSA-N -1 0 336.388 2.838 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588831777 984316924 /nfs/dbraw/zinc/31/69/24/984316924.db2.gz PKNUKYFTSJBBIL-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001588831841 984317656 /nfs/dbraw/zinc/31/76/56/984317656.db2.gz SZOZWTBTPYUUSI-UHFFFAOYSA-N -1 0 343.470 2.709 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588832580 984323361 /nfs/dbraw/zinc/32/33/61/984323361.db2.gz KBNPBPBTTWGJAC-GJYPPUQNSA-N -1 0 339.395 2.509 20 30 EFEDRM C=CCN(Cc1cc(C(=O)[O-])n(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001588832586 984323364 /nfs/dbraw/zinc/32/33/64/984323364.db2.gz KLHUQVZFOBOTSO-UHFFFAOYSA-N -1 0 329.356 2.820 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001588844360 984357135 /nfs/dbraw/zinc/35/71/35/984357135.db2.gz UXTGPTVUBBFYBC-LSDHHAIUSA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC001588849261 984369508 /nfs/dbraw/zinc/36/95/08/984369508.db2.gz HFUWVXQXYWIYMY-ZDUSSCGKSA-N -1 0 345.424 2.995 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001588849439 984371344 /nfs/dbraw/zinc/37/13/44/984371344.db2.gz QRQCJZFPXCHTSP-AWEZNQCLSA-N -1 0 345.424 2.914 20 30 EFEDRM C=CCOCC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588851063 984382474 /nfs/dbraw/zinc/38/24/74/984382474.db2.gz SARFGQOOAQSMNO-UHFFFAOYSA-N -1 0 328.324 2.713 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588853631 984385231 /nfs/dbraw/zinc/38/52/31/984385231.db2.gz CXZFOJDEOWPAIT-ITDFMYJTSA-N -1 0 344.194 2.779 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588853827 984385980 /nfs/dbraw/zinc/38/59/80/984385980.db2.gz JHUJHHJAHRQPAW-VMSUTVGLSA-N -1 0 343.354 2.764 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588855473 984393390 /nfs/dbraw/zinc/39/33/90/984393390.db2.gz HVKSAQKVVOHYQY-IRXDYDNUSA-N -1 0 346.427 2.518 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1C)C(=O)[O-] ZINC001588859175 984404003 /nfs/dbraw/zinc/40/40/03/984404003.db2.gz BZFWDHXMGVNRSC-LLVKDONJSA-N -1 0 349.280 2.539 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC001588860193 984411257 /nfs/dbraw/zinc/41/12/57/984411257.db2.gz LYTGHEKYLSTYIX-AWEZNQCLSA-N -1 0 331.393 2.801 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001588862144 984417465 /nfs/dbraw/zinc/41/74/65/984417465.db2.gz QVRDZBASSBIUNL-CQSZACIVSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOCCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588866600 984426781 /nfs/dbraw/zinc/42/67/81/984426781.db2.gz NIQNJYNQZXJEKI-UHFFFAOYSA-N -1 0 336.388 2.886 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001588869473 984438700 /nfs/dbraw/zinc/43/87/00/984438700.db2.gz CXXVNGMIXNPZRH-UHFFFAOYSA-N -1 0 348.380 2.975 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1OC ZINC001588869499 984439283 /nfs/dbraw/zinc/43/92/83/984439283.db2.gz FXZFYKDKMWPPCS-APWZRJJASA-N -1 0 345.395 2.729 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC001588869613 984439810 /nfs/dbraw/zinc/43/98/10/984439810.db2.gz POGMNTWVLKXXLP-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588869581 984439851 /nfs/dbraw/zinc/43/98/51/984439851.db2.gz NCFOKTZDOAXCPB-UHFFFAOYSA-N -1 0 345.351 2.790 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001588869625 984440242 /nfs/dbraw/zinc/44/02/42/984440242.db2.gz QUXVHWSFYCCRIU-UHFFFAOYSA-N -1 0 348.380 2.691 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001588869630 984440444 /nfs/dbraw/zinc/44/04/44/984440444.db2.gz RGPZACOWPATLCP-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588869768 984440898 /nfs/dbraw/zinc/44/08/98/984440898.db2.gz YNVCUEPPMCUSKU-OLZOCXBDSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCOc1ccc(CNc2cccc(CC(=O)[O-])n2)cc1OC ZINC001588872702 984441504 /nfs/dbraw/zinc/44/15/04/984441504.db2.gz CPUKMNICDVJPMF-UHFFFAOYSA-N -1 0 328.368 2.894 20 30 EFEDRM C=CCOc1ccc(COC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001588872878 984443136 /nfs/dbraw/zinc/44/31/36/984443136.db2.gz PTDVUFOVMFRSPF-GOEBONIOSA-N -1 0 334.368 2.565 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001588873723 984445332 /nfs/dbraw/zinc/44/53/32/984445332.db2.gz JOLJSUBIKCAAFF-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588874030 984447010 /nfs/dbraw/zinc/44/70/10/984447010.db2.gz SFHBPDHALOKPMA-UHFFFAOYSA-N -1 0 341.363 2.896 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001588874002 984446962 /nfs/dbraw/zinc/44/69/62/984446962.db2.gz QWTCPSJBUKSYEB-HNNXBMFYSA-N -1 0 332.400 2.552 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc(OC)c1OC ZINC001588882462 984463073 /nfs/dbraw/zinc/46/30/73/984463073.db2.gz USHKXIYSUATUFQ-BUXKBTBVSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001588885478 984468183 /nfs/dbraw/zinc/46/81/83/984468183.db2.gz MNXMHLMPXKBVDB-DZGCQCFKSA-N -1 0 334.368 2.599 20 30 EFEDRM C=CCc1cc(CNc2nccnc2C(=O)[O-])cc(OC)c1OC ZINC001588885630 984468838 /nfs/dbraw/zinc/46/88/38/984468838.db2.gz PSLPYNSMSTZLQK-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(Cl)nn1 ZINC001588885717 984469319 /nfs/dbraw/zinc/46/93/19/984469319.db2.gz XJAJSNKPQAZTPR-UHFFFAOYSA-N -1 0 348.742 2.785 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1csc(=O)[nH]1 ZINC001588885734 984469344 /nfs/dbraw/zinc/46/93/44/984469344.db2.gz XSULGHOLNIRFKQ-UHFFFAOYSA-N -1 0 335.337 2.503 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001588886522 984472358 /nfs/dbraw/zinc/47/23/58/984472358.db2.gz KBDQXHQSYDQDIE-UHFFFAOYSA-N -1 0 342.388 2.906 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001588886593 984472911 /nfs/dbraw/zinc/47/29/11/984472911.db2.gz NTMVXAPDAZOHRE-UHFFFAOYSA-N -1 0 326.301 2.613 20 30 EFEDRM C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588888804 984475793 /nfs/dbraw/zinc/47/57/93/984475793.db2.gz DTXKQPGFLYDUHQ-QGZVFWFLSA-N -1 0 330.388 2.724 20 30 EFEDRM C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588889498 984480207 /nfs/dbraw/zinc/48/02/07/984480207.db2.gz WRWNWLQOFSVXNZ-GTNSWQLSSA-N -1 0 330.388 2.580 20 30 EFEDRM C=CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588889883 984482029 /nfs/dbraw/zinc/48/20/29/984482029.db2.gz GKGPIPZCRFIIQF-AWEZNQCLSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588896820 984504758 /nfs/dbraw/zinc/50/47/58/984504758.db2.gz UJENZGHBXJNDRA-HZPDHXFCSA-N -1 0 340.427 2.892 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588897187 984507872 /nfs/dbraw/zinc/50/78/72/984507872.db2.gz XUCVBBGVGPTZHT-LLVKDONJSA-N -1 0 347.444 2.736 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC[C@](C)(C(=O)[O-])C2)c1=S ZINC001588897256 984508512 /nfs/dbraw/zinc/50/85/12/984508512.db2.gz PIFWMTYPVYBPKK-INIZCTEOSA-N -1 0 336.461 2.622 20 30 EFEDRM C=CCn1c([C@@H](C)c2ccsc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588897361 984509835 /nfs/dbraw/zinc/50/98/35/984509835.db2.gz YIDILBMTXICQHD-SJCJKPOMSA-N -1 0 346.456 2.978 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2occc2C(=O)[O-])c1C ZINC001588897415 984509879 /nfs/dbraw/zinc/50/98/79/984509879.db2.gz QTWCOZMQYULEAL-UHFFFAOYSA-N -1 0 331.324 2.622 20 30 EFEDRM C=CCn1c([C@H]2[C@@H]3CCCC[C@@H]32)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588897679 984512227 /nfs/dbraw/zinc/51/22/27/984512227.db2.gz SYDVLDGDOVTATO-KHSSZTOVSA-N -1 0 330.432 2.669 20 30 EFEDRM C=CCn1c(C)nn(CN2CCc3cccc(C(=O)[O-])c3C2)c1=S ZINC001588897882 984514190 /nfs/dbraw/zinc/51/41/90/984514190.db2.gz WHLHOYUHKNUJGX-UHFFFAOYSA-N -1 0 344.440 2.623 20 30 EFEDRM C=CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1[C@@]1(C)CCCO1 ZINC001588904328 984528983 /nfs/dbraw/zinc/52/89/83/984528983.db2.gz OKJGUWLVAKEMNL-GOSISDBHSA-N -1 0 348.447 2.571 20 30 EFEDRM C=CCn1c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnc1[C@]1(C)CCC=CO1 ZINC001588904984 984534251 /nfs/dbraw/zinc/53/42/51/984534251.db2.gz KWHMFCVDVBRLSZ-IYOUNJFTSA-N -1 0 346.431 2.550 20 30 EFEDRM C=CCn1c(S[C@H](C=C)C(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC001588905105 984535447 /nfs/dbraw/zinc/53/54/47/984535447.db2.gz POENTQUAWKDZBV-SNVBAGLBSA-N -1 0 336.438 2.992 20 30 EFEDRM C=CCn1c(S[C@@H](C=C)C(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC001588905104 984535492 /nfs/dbraw/zinc/53/54/92/984535492.db2.gz POENTQUAWKDZBV-JTQLQIEISA-N -1 0 336.438 2.992 20 30 EFEDRM C=CCn1c(N2CCc3ccc(C(=O)[O-])cc3C2)nnc1C(C)(F)F ZINC001588905174 984536069 /nfs/dbraw/zinc/53/60/69/984536069.db2.gz RVJVOVSMRPIQIQ-UHFFFAOYSA-N -1 0 348.353 2.837 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)C(C)(C)C(=O)[O-])nnc1-c1ccco1 ZINC001588905549 984536901 /nfs/dbraw/zinc/53/69/01/984536901.db2.gz YBLDKDQKRHLOES-SNVBAGLBSA-N -1 0 349.412 2.885 20 30 EFEDRM C=CCn1c(SCC2(CC(=O)[O-])CC2)nnc1-c1cccnc1 ZINC001588907314 984538660 /nfs/dbraw/zinc/53/86/60/984538660.db2.gz IQBSYTGYBNHRCO-UHFFFAOYSA-N -1 0 330.413 2.873 20 30 EFEDRM C=CCn1c2ccccc2nc1SCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588907446 984539518 /nfs/dbraw/zinc/53/95/18/984539518.db2.gz NGPXUVBFNUKJLA-HNNXBMFYSA-N -1 0 347.440 2.540 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc2n1 ZINC001588909161 984542872 /nfs/dbraw/zinc/54/28/72/984542872.db2.gz MKYMAYFTPNMZTE-CQSZACIVSA-N -1 0 342.399 2.845 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H]3CC=C(C(=O)[O-])C3)cc21 ZINC001588912724 984552817 /nfs/dbraw/zinc/55/28/17/984552817.db2.gz OFWQHEWDAXBOKY-ZDUSSCGKSA-N -1 0 326.356 2.517 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588917799 984567055 /nfs/dbraw/zinc/56/70/55/984567055.db2.gz ADQLXAZHTOWYPG-BONVTDFDSA-N -1 0 329.356 2.579 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588918055 984569252 /nfs/dbraw/zinc/56/92/52/984569252.db2.gz UJCNAJAXCHCPAT-WFASDCNBSA-N -1 0 332.400 2.761 20 30 EFEDRM C/C(=C/C(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588933703 984613202 /nfs/dbraw/zinc/61/32/02/984613202.db2.gz WFTFUTSFQIECGI-KHPPLWFESA-N -1 0 340.301 2.936 20 30 EFEDRM CC(=NNCC(C)(C)CO)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589016676 984997847 /nfs/dbraw/zinc/99/78/47/984997847.db2.gz FFPRGGYJXMPTIO-UHFFFAOYSA-N -1 0 335.429 2.635 20 30 EFEDRM CCOC(=O)c1cccc(Sc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001596730997 984998822 /nfs/dbraw/zinc/99/88/22/984998822.db2.gz VDQFFSNGESIYSP-UHFFFAOYSA-N -1 0 328.349 2.979 20 30 EFEDRM C[C@@](CNC(=O)c1[nH]c2ccccc2c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589059895 985178684 /nfs/dbraw/zinc/17/86/84/985178684.db2.gz LNMWFHOOWDCJRZ-FQEVSTJZSA-N -1 0 347.374 2.812 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1C(=O)[O-] ZINC001599941788 985463975 /nfs/dbraw/zinc/46/39/75/985463975.db2.gz UNUAKDZLTJGZIH-UHFFFAOYSA-N -1 0 340.335 2.512 20 30 EFEDRM CC(=O)Nc1ccc(C(C)=NOCc2cccc(C(=O)[O-])n2)cc1 ZINC001589187833 985581017 /nfs/dbraw/zinc/58/10/17/985581017.db2.gz NLNYCGAWYDFNFS-UHFFFAOYSA-N -1 0 327.340 2.679 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)O[C@@H](C)CC(C)(C)C#N)c(C(=O)[O-])c1C ZINC001589248247 985852247 /nfs/dbraw/zinc/85/22/47/985852247.db2.gz JSRKRWGBFXVUQG-VIFPVBQESA-N -1 0 334.372 2.638 20 30 EFEDRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(F)c1 ZINC001589279383 986003438 /nfs/dbraw/zinc/00/34/38/986003438.db2.gz PWVFNJJFXHLTGT-INIZCTEOSA-N -1 0 341.294 2.883 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599973513 986050373 /nfs/dbraw/zinc/05/03/73/986050373.db2.gz XLTXXSJRJFCYAB-KDOFPFPSSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001599977075 986108422 /nfs/dbraw/zinc/10/84/22/986108422.db2.gz VUABTZPTULJQGE-NOZJJQNGSA-N -1 0 328.393 2.874 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589324250 986155803 /nfs/dbraw/zinc/15/58/03/986155803.db2.gz ZJCQKLBYWCDKDE-HXUWFJFHSA-N -1 0 336.391 2.959 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597055703 986533978 /nfs/dbraw/zinc/53/39/78/986533978.db2.gz FSMNPVOGOSFHPI-UHFFFAOYSA-N -1 0 328.328 2.638 20 30 EFEDRM CCOc1ccc(O)c(/C=N\[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597130144 986843393 /nfs/dbraw/zinc/84/33/93/986843393.db2.gz KJMNCKWJXKMUKC-PAIMMUFVSA-N -1 0 333.384 2.622 20 30 EFEDRM CCOc1ccc(O)c(/C=N/[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597130143 986843883 /nfs/dbraw/zinc/84/38/83/986843883.db2.gz KJMNCKWJXKMUKC-MDVOHLCVSA-N -1 0 333.384 2.622 20 30 EFEDRM CCOc1cccc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001597145884 986908271 /nfs/dbraw/zinc/90/82/71/986908271.db2.gz NIIQLALQYAYXKK-CYBMUJFWSA-N -1 0 345.399 2.546 20 30 EFEDRM CC[C@@H](C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001594721927 987207262 /nfs/dbraw/zinc/20/72/62/987207262.db2.gz HAQLEJMHJVQGRA-OIBJUYFYSA-N -1 0 345.218 2.644 20 30 EFEDRM CC[C@H](C#N)[C@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cccs1 ZINC001594722424 987212482 /nfs/dbraw/zinc/21/24/82/987212482.db2.gz PAZFTTAWHSDCDJ-WTNWGCMGSA-N -1 0 337.397 2.760 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594722460 987212585 /nfs/dbraw/zinc/21/25/85/987212585.db2.gz PTCVQNMTNHGWBP-CABZTGNLSA-N -1 0 344.289 2.767 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594722464 987213262 /nfs/dbraw/zinc/21/32/62/987213262.db2.gz PTCVQNMTNHGWBP-SKDRFNHKSA-N -1 0 344.289 2.767 20 30 EFEDRM CC[C@H](C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001594722623 987214798 /nfs/dbraw/zinc/21/47/98/987214798.db2.gz RHZQEVDQFIKWCN-SKDRFNHKSA-N -1 0 339.189 2.631 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001594725193 987228326 /nfs/dbraw/zinc/22/83/26/987228326.db2.gz NRSNLIKXEIUTBA-CYBMUJFWSA-N -1 0 336.351 2.945 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC001589557707 987306900 /nfs/dbraw/zinc/30/69/00/987306900.db2.gz FZDVDBBQZOYWDX-NUEKZKHPSA-N -1 0 326.396 2.813 20 30 EFEDRM CC(C)(C(=O)N(CC#N)CCC(=O)[O-])c1ccc(Cl)cc1F ZINC001589560791 987317511 /nfs/dbraw/zinc/31/75/11/987317511.db2.gz RLXWPZTVUXPQPO-UHFFFAOYSA-N -1 0 326.755 2.584 20 30 EFEDRM CCSc1ccc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597272288 987318931 /nfs/dbraw/zinc/31/89/31/987318931.db2.gz CGJWYKATWYOXTO-UHFFFAOYSA-N -1 0 347.440 2.699 20 30 EFEDRM CC(C)(C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cc(F)cc(C#N)c1 ZINC001589562938 987322912 /nfs/dbraw/zinc/32/29/12/987322912.db2.gz RSCMHRYAUMCOEP-BEFAXECRSA-N -1 0 344.386 2.831 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC001589606070 987452402 /nfs/dbraw/zinc/45/24/02/987452402.db2.gz XHAUAWBXTZGXSN-INIZCTEOSA-N -1 0 340.423 2.939 20 30 EFEDRM CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2cccc(C#N)c2)c1 ZINC001589649648 987592019 /nfs/dbraw/zinc/59/20/19/987592019.db2.gz XURJVHJENIZSAW-UHFFFAOYSA-N -1 0 345.376 2.688 20 30 EFEDRM CC(C)(C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(O)cc1 ZINC001589680510 987703881 /nfs/dbraw/zinc/70/38/81/987703881.db2.gz COBPLLHGOVEMGZ-INIZCTEOSA-N -1 0 339.347 2.911 20 30 EFEDRM CC(C)(C)C#CC(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001589684241 987721053 /nfs/dbraw/zinc/72/10/53/987721053.db2.gz BWIWKLQXGFHJAA-NSHDSACASA-N -1 0 341.329 2.655 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001597423576 987744930 /nfs/dbraw/zinc/74/49/30/987744930.db2.gz DYHBHODZWRYLOG-UHFFFAOYSA-N -1 0 331.349 2.587 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001597424208 987747088 /nfs/dbraw/zinc/74/70/88/987747088.db2.gz NNVJGIVWEOJBPQ-UHFFFAOYSA-N -1 0 345.376 2.895 20 30 EFEDRM CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001589699749 987787604 /nfs/dbraw/zinc/78/76/04/987787604.db2.gz QNMKSAHUYFHNQZ-AWEZNQCLSA-N -1 0 344.820 2.645 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589711455 987839054 /nfs/dbraw/zinc/83/90/54/987839054.db2.gz BWDLQTPKPOSPOH-CYBMUJFWSA-N -1 0 327.302 2.672 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597494704 988037524 /nfs/dbraw/zinc/03/75/24/988037524.db2.gz GUMPAAIFKNKSFU-GOSISDBHSA-N -1 0 327.424 2.998 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001597494910 988039208 /nfs/dbraw/zinc/03/92/08/988039208.db2.gz LKKTYUSNXZWPRD-GOSISDBHSA-N -1 0 339.366 2.552 20 30 EFEDRM CC(C)(C)C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001589752127 988061026 /nfs/dbraw/zinc/06/10/26/988061026.db2.gz XECOYMDWHOECOL-AWEZNQCLSA-N -1 0 341.367 2.832 20 30 EFEDRM CSCCc1ccccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599801770 988188937 /nfs/dbraw/zinc/18/89/37/988188937.db2.gz ABEHKDBUAIOOIX-UHFFFAOYSA-N -1 0 347.440 2.814 20 30 EFEDRM CSCc1cccnc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599804227 988228334 /nfs/dbraw/zinc/22/83/34/988228334.db2.gz IDCYABNBILSHAX-HNNXBMFYSA-N -1 0 342.376 2.799 20 30 EFEDRM CSCc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599804228 988228449 /nfs/dbraw/zinc/22/84/49/988228449.db2.gz IDCYABNBILSHAX-OAHLLOKOSA-N -1 0 342.376 2.799 20 30 EFEDRM CSc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1C#N ZINC001599813308 988375650 /nfs/dbraw/zinc/37/56/50/988375650.db2.gz OQMRMPFMNBQJTR-UHFFFAOYSA-N -1 0 326.377 2.908 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H]1C(=O)[O-] ZINC001599860728 989163655 /nfs/dbraw/zinc/16/36/55/989163655.db2.gz JDGSOJASNWMCBS-BXUZGUMPSA-N -1 0 345.399 2.920 20 30 EFEDRM C[C@@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@H]1CC(=O)[O-] ZINC001599868806 989314736 /nfs/dbraw/zinc/31/47/36/989314736.db2.gz IOMNMYGVWNDYBA-TZMCWYRMSA-N -1 0 338.367 2.688 20 30 EFEDRM CCn1nc(C(C)C)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001597927851 989878119 /nfs/dbraw/zinc/87/81/19/989878119.db2.gz GARMWFWBUBGRIB-UHFFFAOYSA-N -1 0 341.367 2.953 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(C=CC(=O)[O-])o2)o1 ZINC001590537075 990151713 /nfs/dbraw/zinc/15/17/13/990151713.db2.gz PEYGSEZRSYFMHQ-RAJBIAOKSA-N -1 0 328.328 2.981 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C#N ZINC001590537370 990153622 /nfs/dbraw/zinc/15/36/22/990153622.db2.gz UJTZUPBGFBXWDA-IAZYJMLFSA-N -1 0 333.413 2.712 20 30 EFEDRM CC(C)(CCN=Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC001590653656 990343531 /nfs/dbraw/zinc/34/35/31/990343531.db2.gz BWRYMPLAFAYQAP-UHFFFAOYSA-N -1 0 334.344 2.582 20 30 EFEDRM CN(C(=O)c1cccc(SCC#N)c1)c1ncc(C(=O)[O-])s1 ZINC001598091015 990433166 /nfs/dbraw/zinc/43/31/66/990433166.db2.gz DPHSCNOQLCNDSZ-UHFFFAOYSA-N -1 0 333.394 2.734 20 30 EFEDRM CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1C(=O)[O-] ZINC001598098464 990461715 /nfs/dbraw/zinc/46/17/15/990461715.db2.gz RJNYNVXIGFDUQV-UHFFFAOYSA-N -1 0 349.268 2.947 20 30 EFEDRM CC(C)(NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc(C#N)c1 ZINC001590854848 990736680 /nfs/dbraw/zinc/73/66/80/990736680.db2.gz MQLYWLZQPQJEDU-XOUADPBQSA-N -1 0 341.411 2.592 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC001590904345 990865089 /nfs/dbraw/zinc/86/50/89/990865089.db2.gz DFFZRURLCDQJIX-UHFFFAOYSA-N -1 0 332.400 2.867 20 30 EFEDRM CC(C)C#CC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001590926880 990928433 /nfs/dbraw/zinc/92/84/33/990928433.db2.gz JYYCZIBPWARGEM-UHFFFAOYSA-N -1 0 342.214 2.710 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN([C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC001590954599 991024117 /nfs/dbraw/zinc/02/41/17/991024117.db2.gz ZEZYWEXHUHOSCW-HOTGVXAUSA-N -1 0 335.835 2.631 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001598287550 991189285 /nfs/dbraw/zinc/18/92/85/991189285.db2.gz IIZKAQKJJCNOKB-INIZCTEOSA-N -1 0 343.427 2.635 20 30 EFEDRM COc1ccccc1C[C@@](C)(OC(=O)c1csc(C#N)c1)C(=O)[O-] ZINC001599705848 991291483 /nfs/dbraw/zinc/29/14/83/991291483.db2.gz ZPGOPKTVUJNGCL-QGZVFWFLSA-N -1 0 345.376 2.871 20 30 EFEDRM CN(C)c1ccc(OC(=O)/C=C\c2ccccc2C#N)cc1C(=O)[O-] ZINC001598328758 991355259 /nfs/dbraw/zinc/35/52/59/991355259.db2.gz ARJOEHQHGMMVCJ-YFHOEESVSA-N -1 0 336.347 2.941 20 30 EFEDRM COc1ccccc1C[C@H](CNc1snc(C)c1C#N)C(=O)[O-] ZINC001599710107 991356739 /nfs/dbraw/zinc/35/67/39/991356739.db2.gz HKJFQFKURNUZPR-GFCCVEGCSA-N -1 0 331.397 2.687 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001591052048 991455587 /nfs/dbraw/zinc/45/55/87/991455587.db2.gz LKNUOJKJOZDGQA-CRAIPNDOSA-N -1 0 344.411 2.579 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC1(C(=O)[O-])CCC1 ZINC001591052394 991459269 /nfs/dbraw/zinc/45/92/69/991459269.db2.gz QNFBJIPSVIPIET-HNNXBMFYSA-N -1 0 331.368 2.760 20 30 EFEDRM COc1nsc(CN(Cc2ccc(C#N)cc2)C2CC2)c1C(=O)[O-] ZINC001599741024 991856719 /nfs/dbraw/zinc/85/67/19/991856719.db2.gz QVPIAUQZKARHGT-UHFFFAOYSA-N -1 0 343.408 2.886 20 30 EFEDRM CN(CCC#N)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001598468807 991992472 /nfs/dbraw/zinc/99/24/72/991992472.db2.gz RJXKMBMGMDVPRK-LLVKDONJSA-N -1 0 329.278 2.543 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1ccc(OCC#N)cc1 ZINC001591308857 992262917 /nfs/dbraw/zinc/26/29/17/992262917.db2.gz CGFLYVNBRYWOGN-UHFFFAOYSA-N -1 0 346.427 2.727 20 30 EFEDRM CC(C)CN(CC(C)C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001591320520 992284680 /nfs/dbraw/zinc/28/46/80/992284680.db2.gz KYOSVSAPFVMPIA-UHFFFAOYSA-N -1 0 334.416 2.876 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC001598511474 992571216 /nfs/dbraw/zinc/57/12/16/992571216.db2.gz PVDDKOWYKDATOW-SFHVURJKSA-N -1 0 349.390 2.565 20 30 EFEDRM CN(Cc1nc(C#N)cs1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598536722 992848059 /nfs/dbraw/zinc/84/80/59/992848059.db2.gz LFHCGPIXKLBDFO-ZDUSSCGKSA-N -1 0 341.314 2.690 20 30 EFEDRM COc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1C#N ZINC001599592892 993710449 /nfs/dbraw/zinc/71/04/49/993710449.db2.gz NAJJSNDTEUFSGQ-FZKQIMNGSA-N -1 0 343.383 2.676 20 30 EFEDRM COc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C#N ZINC001599593334 993716763 /nfs/dbraw/zinc/71/67/63/993716763.db2.gz JCSIFDZROUWZGS-UHFFFAOYSA-N -1 0 325.324 2.838 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC001599596467 993754580 /nfs/dbraw/zinc/75/45/80/993754580.db2.gz DBZIQXPZDUYSNA-SECBINFHSA-N -1 0 339.392 2.752 20 30 EFEDRM C[C@](NC(=O)c1cc(F)c(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001593156557 993975732 /nfs/dbraw/zinc/97/57/32/993975732.db2.gz SWTYRQBCDLHJBH-QGZVFWFLSA-N -1 0 330.290 2.566 20 30 EFEDRM C[C@@H](NC(=O)c1sccc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593188323 994099750 /nfs/dbraw/zinc/09/97/50/994099750.db2.gz ARSVVZXAXIRHSA-BXUZGUMPSA-N -1 0 328.393 2.682 20 30 EFEDRM CN=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1ccc(C)nc1 ZINC001598631737 994183630 /nfs/dbraw/zinc/18/36/30/994183630.db2.gz AAKXVWQFGBBLFV-UHFFFAOYSA-N -1 0 342.380 2.624 20 30 EFEDRM COc1cccc(C#CCOC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001599641493 994365445 /nfs/dbraw/zinc/36/54/45/994365445.db2.gz XQGONMWFUZBIAB-UHFFFAOYSA-N -1 0 328.295 2.741 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C#Cc2ccccc2)c1 ZINC001599650505 994491059 /nfs/dbraw/zinc/49/10/59/994491059.db2.gz YDOCZSKYAQTGOA-HXUWFJFHSA-N -1 0 337.375 2.553 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(F)cc2C#N)c1 ZINC001599650684 994494020 /nfs/dbraw/zinc/49/40/20/994494020.db2.gz NYKHAWCHNPZJBA-QGZVFWFLSA-N -1 0 328.343 2.964 20 30 EFEDRM CNC(=O)c1cc(Cl)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001598655659 994517165 /nfs/dbraw/zinc/51/71/65/994517165.db2.gz POTWIXHETQGMNA-UHFFFAOYSA-N -1 0 343.770 2.882 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2csc(C#N)c2)c1 ZINC001599653380 994540017 /nfs/dbraw/zinc/54/00/17/994540017.db2.gz UVDDGXWTCBJKOI-KRWDZBQOSA-N -1 0 344.392 2.748 20 30 EFEDRM COc1cccc([C@H](C)CCCC(=O)N(CC#N)CCC(=O)[O-])c1 ZINC001599655202 994567185 /nfs/dbraw/zinc/56/71/85/994567185.db2.gz LOAPPFHSVBICMW-CQSZACIVSA-N -1 0 332.400 2.796 20 30 EFEDRM C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593359284 995014011 /nfs/dbraw/zinc/01/40/11/995014011.db2.gz ALBKJYPJEZSGNP-MLGOLLRUSA-N -1 0 336.395 2.970 20 30 EFEDRM C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593365778 995044550 /nfs/dbraw/zinc/04/45/50/995044550.db2.gz JHNWOAWUMAHOCQ-RCBQFDQVSA-N -1 0 341.411 2.791 20 30 EFEDRM COC(=O)[C@H](Sc1cc(C#N)ccn1)c1cccc(C(=O)[O-])c1 ZINC001598712650 995365834 /nfs/dbraw/zinc/36/58/34/995365834.db2.gz RCEIKPVMSHDWKF-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC001593611875 995811370 /nfs/dbraw/zinc/81/13/70/995811370.db2.gz WWOXYBZOAXJBNZ-WWGRRREGSA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001593612197 995813918 /nfs/dbraw/zinc/81/39/18/995813918.db2.gz MSYBAHOACMKXTI-CZUORRHYSA-N -1 0 344.411 2.723 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)NCC#C[C@H]1CCCCO1)C(=O)[O-] ZINC001593668873 996067661 /nfs/dbraw/zinc/06/76/61/996067661.db2.gz LFCWSHRAWOMXSP-UONOGXRCSA-N -1 0 347.436 2.554 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)NOc1cccc(C#N)c1)C(=O)[O-] ZINC001593672089 996073369 /nfs/dbraw/zinc/07/33/69/996073369.db2.gz GISQRKCJLWCVMA-NSHDSACASA-N -1 0 342.376 2.847 20 30 EFEDRM C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC001593678426 996092475 /nfs/dbraw/zinc/09/24/75/996092475.db2.gz NPMXULIWKMECOD-SNVBAGLBSA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593698800 996167310 /nfs/dbraw/zinc/16/73/10/996167310.db2.gz NLSOMYABCHKCQF-LRDDRELGSA-N -1 0 329.400 2.762 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001593742999 996364264 /nfs/dbraw/zinc/36/42/64/996364264.db2.gz LVDYJDPFBOLNRF-OAHLLOKOSA-N -1 0 339.298 2.754 20 30 EFEDRM CC1(C)CCC[C@](NC(=O)Cc2ccccc2CC#N)(C(=O)[O-])C1 ZINC001593892747 996743048 /nfs/dbraw/zinc/74/30/48/996743048.db2.gz VZVRQMGHNZPOCE-LJQANCHMSA-N -1 0 328.412 2.835 20 30 EFEDRM COc1cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)ccc1C#N ZINC001599387249 996968929 /nfs/dbraw/zinc/96/89/29/996968929.db2.gz OTDNKYKABSOPCA-UHFFFAOYSA-N -1 0 329.283 2.932 20 30 EFEDRM COCc1cc(NC(=O)NCc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599286150 996981176 /nfs/dbraw/zinc/98/11/76/996981176.db2.gz OBJAERZINAZBTB-UHFFFAOYSA-N -1 0 339.351 2.725 20 30 EFEDRM COc1cc(C)cc2c1OC/C(=C/c1cc(C(=O)[O-])n(C)c1)C2=O ZINC001599394289 997096935 /nfs/dbraw/zinc/09/69/35/997096935.db2.gz NFLQJGVTGHBNRR-SDQBBNPISA-N -1 0 327.336 2.699 20 30 EFEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(F)c1 ZINC001599504984 997196688 /nfs/dbraw/zinc/19/66/88/997196688.db2.gz XRNXEXGJKFOVIJ-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])/N=C\c2cccc(O)c2O)c(OC)c1 ZINC001599508843 997260364 /nfs/dbraw/zinc/26/03/64/997260364.db2.gz XJVZVBPGSHQVPV-VAODSVERSA-N -1 0 345.351 2.750 20 30 EFEDRM CON(C)C(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001599316961 997519072 /nfs/dbraw/zinc/51/90/72/997519072.db2.gz WBVVEMJMAAJOLT-UHFFFAOYSA-N -1 0 339.351 2.502 20 30 EFEDRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cc(C)c(C#N)c(C)c2)C(=O)[O-])C1 ZINC001599108545 997525284 /nfs/dbraw/zinc/52/52/84/997525284.db2.gz LFKJWDRJLYIELM-YSVLISHTSA-N -1 0 344.411 2.563 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])cc1 ZINC001599524620 997537823 /nfs/dbraw/zinc/53/78/23/997537823.db2.gz RJKTUGONEXYLQO-KRWDZBQOSA-N -1 0 349.346 2.604 20 30 EFEDRM CON=Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001599321299 997586026 /nfs/dbraw/zinc/58/60/26/997586026.db2.gz XJYDFSFMOVZNTQ-UHFFFAOYSA-N -1 0 326.352 2.637 20 30 EFEDRM COCC[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(C)o1 ZINC001599218981 997632161 /nfs/dbraw/zinc/63/21/61/997632161.db2.gz VOUKNVZXOPJDKF-WBVHZDCISA-N -1 0 328.368 2.953 20 30 EFEDRM C[C@@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CCCC[C@H]1C(=O)[O-] ZINC001594055613 997787927 /nfs/dbraw/zinc/78/79/27/997787927.db2.gz GVMVYCNOHXUXIF-SCLBCKFNSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c(OC)c1OC ZINC001599544813 997905940 /nfs/dbraw/zinc/90/59/40/997905940.db2.gz ZVZOMOOKEGUXMP-XQRVVYSFSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(C)c(C#N)cn1 ZINC001599545883 997922683 /nfs/dbraw/zinc/92/26/83/997922683.db2.gz KETOGUNIYGWGTR-GQCTYLIASA-N -1 0 338.319 2.587 20 30 EFEDRM CO[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599129997 997925051 /nfs/dbraw/zinc/92/50/51/997925051.db2.gz HAMPXNHQBRYARL-GOEBONIOSA-N -1 0 341.329 2.621 20 30 EFEDRM COCCN(CCC#N)Cc1c(Br)cccc1C(=O)[O-] ZINC001599235813 997944750 /nfs/dbraw/zinc/94/47/50/997944750.db2.gz SCNKBCQTDLTXQF-UHFFFAOYSA-N -1 0 341.205 2.509 20 30 EFEDRM COc1cc(NC(=O)c2cscc2C#N)c(C(=O)[O-])cc1OC ZINC001599444664 997988804 /nfs/dbraw/zinc/98/88/04/997988804.db2.gz SHGDFYJWZBLHMF-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM COc1cc(C#N)ccc1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599347257 998030752 /nfs/dbraw/zinc/03/07/52/998030752.db2.gz ATGJUYANZOUROZ-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1cc(C#N)ccc1Cn1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001599347413 998032701 /nfs/dbraw/zinc/03/27/01/998032701.db2.gz GRLAKYWXCDGNEL-UHFFFAOYSA-N -1 0 340.383 2.565 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001599347781 998038809 /nfs/dbraw/zinc/03/88/09/998038809.db2.gz LGIWALVSQJPMII-CQSZACIVSA-N -1 0 345.399 2.969 20 30 EFEDRM COc1cc(C#N)ccc1CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001599348384 998050165 /nfs/dbraw/zinc/05/01/65/998050165.db2.gz VUDQTJOBBMNENG-QGZVFWFLSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(C(=O)[O-])co1 ZINC001599449005 998059418 /nfs/dbraw/zinc/05/94/18/998059418.db2.gz QGMFKRJCBYJIRN-SNAWJCMRSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001599349209 998064167 /nfs/dbraw/zinc/06/41/67/998064167.db2.gz KWABXVYTNRLECR-GFCCVEGCSA-N -1 0 330.365 2.574 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001599349213 998064276 /nfs/dbraw/zinc/06/42/76/998064276.db2.gz KWABXVYTNRLECR-LBPRGKRZSA-N -1 0 330.365 2.574 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001599349650 998070247 /nfs/dbraw/zinc/07/02/47/998070247.db2.gz ZQAWEMQUJWGIQV-UHFFFAOYSA-N -1 0 342.326 2.827 20 30 EFEDRM COC(=O)c1cc(NCCCC2(C#N)CCOCC2)ccc1C(=O)[O-] ZINC001598948474 998100583 /nfs/dbraw/zinc/10/05/83/998100583.db2.gz QPILXXDCJSWDGW-UHFFFAOYSA-N -1 0 346.383 2.684 20 30 EFEDRM COc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC001599353009 998128883 /nfs/dbraw/zinc/12/88/83/998128883.db2.gz FGAHPPGPAMLYRX-INIZCTEOSA-N -1 0 338.363 2.903 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N2CCC(C)(C#N)CC2)c1OC ZINC001599359320 998233762 /nfs/dbraw/zinc/23/37/62/998233762.db2.gz RCJIOPGGBIZFPE-UHFFFAOYSA-N -1 0 347.371 2.560 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NCCCC2(C#N)CCOCC2)c1OC ZINC001599362154 998277866 /nfs/dbraw/zinc/27/78/66/998277866.db2.gz CMYWIMUDWWAWDN-UHFFFAOYSA-N -1 0 348.399 2.914 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#N)c(Cl)c2)c1O ZINC001599362760 998286876 /nfs/dbraw/zinc/28/68/76/998286876.db2.gz RZPNURAYGVNWQW-UHFFFAOYSA-N -1 0 346.726 2.876 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1O ZINC001599362903 998289407 /nfs/dbraw/zinc/28/94/07/998289407.db2.gz YWEBQLFAVBTLHT-UHFFFAOYSA-N -1 0 346.726 2.876 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1csc(C(=O)[O-])c1 ZINC001599257239 998324705 /nfs/dbraw/zinc/32/47/05/998324705.db2.gz ANAWUPLRJGHDIO-UHFFFAOYSA-N -1 0 332.381 2.955 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C\c1ccc(C(=O)[O-])n1C ZINC001599260988 998385371 /nfs/dbraw/zinc/38/53/71/998385371.db2.gz QLOKKEYFLWDNQW-CLFYSBASSA-N -1 0 347.342 2.784 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1cc(C(=O)[O-])n(C)c1 ZINC001599261005 998385722 /nfs/dbraw/zinc/38/57/22/998385722.db2.gz RKQQJDVGCAZOMO-VOTSOKGWSA-N -1 0 347.342 2.784 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC001599373800 998454561 /nfs/dbraw/zinc/45/45/61/998454561.db2.gz GHPHDSYDSBCALP-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1cc(C#N)ccc1F ZINC001599374271 998461548 /nfs/dbraw/zinc/46/15/48/998461548.db2.gz NFWNBJQQZNQYPB-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001599377616 998513226 /nfs/dbraw/zinc/51/32/26/998513226.db2.gz GTIGLAVLTIHHJA-UHFFFAOYSA-N -1 0 337.331 2.902 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001599476755 998544668 /nfs/dbraw/zinc/54/46/68/998544668.db2.gz LTOYCTKJPXJQHV-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599477013 998548891 /nfs/dbraw/zinc/54/88/91/998548891.db2.gz SYBPWWMQNZUFNH-CYBMUJFWSA-N -1 0 345.399 2.922 20 30 EFEDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)C#CC(C)(C)C ZINC001599273230 998572738 /nfs/dbraw/zinc/57/27/38/998572738.db2.gz JYMFWWDVIQVQJX-UHFFFAOYSA-N -1 0 333.384 2.675 20 30 EFEDRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N ZINC001594205871 998791520 /nfs/dbraw/zinc/79/15/20/998791520.db2.gz LZUHFBIZUSQKIB-STQMWFEESA-N -1 0 339.395 2.879 20 30 EFEDRM COC(=O)c1ccccc1-c1ccc(CN(CC#N)CCC(=O)[O-])o1 ZINC001599003808 998842125 /nfs/dbraw/zinc/84/21/25/998842125.db2.gz XRXAQMHJSXDETA-UHFFFAOYSA-N -1 0 342.351 2.533 20 30 EFEDRM CO[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CCCCC1 ZINC001599030314 999045748 /nfs/dbraw/zinc/04/57/48/999045748.db2.gz SVUUVATWTGGKJT-CVEARBPZSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594293468 999132732 /nfs/dbraw/zinc/13/27/32/999132732.db2.gz VSXVHEMUGNXGDK-UXIGCNINSA-N -1 0 348.424 2.598 20 30 EFEDRM CC1CCC(N(C)C(=O)CON=Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001594309774 999196598 /nfs/dbraw/zinc/19/65/98/999196598.db2.gz HZSNYQPPAADXJX-UHFFFAOYSA-N -1 0 332.400 2.772 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NC1CCC(C)CC1 ZINC001594318399 999225929 /nfs/dbraw/zinc/22/59/29/999225929.db2.gz FWNSMIOYLDTHAN-MFOWVQHXSA-N -1 0 332.400 2.819 20 30 EFEDRM C#CCN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001573464025 1087794907 /nfs/dbraw/zinc/79/49/07/1087794907.db2.gz ZLZFGYUNKSBWSW-KRWDZBQOSA-N -1 0 328.412 2.964 20 30 EFEDRM C#CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001573464020 1087795656 /nfs/dbraw/zinc/79/56/56/1087795656.db2.gz XEDBUCTUTNFVHR-ZWKOTPCHSA-N -1 0 336.391 2.919 20 30 EFEDRM CC(C)(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC001573647188 1087851933 /nfs/dbraw/zinc/85/19/33/1087851933.db2.gz VUKJFRPBINIWJO-KRWDZBQOSA-N -1 0 336.391 2.820 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001574797138 1088102578 /nfs/dbraw/zinc/10/25/78/1088102578.db2.gz HIVSXBGOIQUFOR-MSOLQXFVSA-N -1 0 349.390 2.713 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001647275045 1089194977 /nfs/dbraw/zinc/19/49/77/1089194977.db2.gz JLLUYGJZLDEHSY-SHTZXODSSA-N -1 0 346.452 2.970 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001647319513 1089250202 /nfs/dbraw/zinc/25/02/02/1089250202.db2.gz OVDIXEJCVDQNLE-UHFFFAOYSA-N -1 0 349.239 2.532 20 30 EFEDRM CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cc(C)ccc1C ZINC001577000023 1089574406 /nfs/dbraw/zinc/57/44/06/1089574406.db2.gz ZXWGQJPVJUYQQO-CYBMUJFWSA-N -1 0 334.387 2.708 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001647701736 1089796518 /nfs/dbraw/zinc/79/65/18/1089796518.db2.gz PVOJOYIMSIQYDW-DOMZBBRYSA-N -1 0 338.415 2.706 20 30 EFEDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001649704507 1092604584 /nfs/dbraw/zinc/60/45/84/1092604584.db2.gz JYQSTSKVAMVIDO-CQSZACIVSA-N -1 0 334.441 2.970 20 30 EFEDRM C#CC1CCC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CC1 ZINC001588332435 1092927768 /nfs/dbraw/zinc/92/77/68/1092927768.db2.gz JZRYKSZEBNVBIY-UHFFFAOYSA-N -1 0 327.392 2.645 20 30 EFEDRM C#CC1CCC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CC1 ZINC001588332901 1092930173 /nfs/dbraw/zinc/93/01/73/1092930173.db2.gz VUVSJNJPWFZLNB-UHFFFAOYSA-N -1 0 327.392 2.744 20 30 EFEDRM C#CCOc1cccc(Oc2nc(-c3nnn[n-]3)c(Cl)s2)c1 ZINC001588362987 1092931808 /nfs/dbraw/zinc/93/18/08/1092931808.db2.gz DGMQNCJAPSZFBH-UHFFFAOYSA-N -1 0 333.760 2.781 20 30 EFEDRM C#CCCCCCCn1c(=O)c(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588346024 1092932892 /nfs/dbraw/zinc/93/28/92/1092932892.db2.gz TYMOCUHXVSRWDR-UHFFFAOYSA-N -1 0 339.321 2.631 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2c(Cl)cnn2C)c1)C(=O)[O-] ZINC000588534858 1092944712 /nfs/dbraw/zinc/94/47/12/1092944712.db2.gz PEWSNEZKSQVZEC-JYESYGNLSA-N -1 0 334.759 2.822 20 30 EFEDRM C=C(CNC(=O)NCc1ccc(C)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588444242 1092946806 /nfs/dbraw/zinc/94/68/06/1092946806.db2.gz SNLZLWVDZRLCHG-UHFFFAOYSA-N -1 0 348.410 2.688 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC001588456680 1092948038 /nfs/dbraw/zinc/94/80/38/1092948038.db2.gz TWSISPCSDLDVDV-TXEJJXNPSA-N -1 0 328.351 2.721 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nn[nH]n3)c(C)cc21 ZINC001588525279 1092951832 /nfs/dbraw/zinc/95/18/32/1092951832.db2.gz FNWVAAVFSLLJKJ-JTQLQIEISA-N -1 0 325.376 2.592 20 30 EFEDRM C=CC1(CC(=O)OCc2cncc(-c3nn[nH]n3)c2)CCCCC1 ZINC001588527166 1092951937 /nfs/dbraw/zinc/95/19/37/1092951937.db2.gz DPNOGRMTSVPVQL-UHFFFAOYSA-N -1 0 327.388 2.832 20 30 EFEDRM C=CC1(CC(=O)N(C)c2ccc(-c3nn[nH]n3)nc2)CCCCC1 ZINC001588525871 1092952382 /nfs/dbraw/zinc/95/23/82/1092952382.db2.gz MFILGWWAWCBIMV-UHFFFAOYSA-N -1 0 326.404 2.751 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001588505009 1092952645 /nfs/dbraw/zinc/95/26/45/1092952645.db2.gz RNVKSYVXNHZEFY-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588539173 1092955561 /nfs/dbraw/zinc/95/55/61/1092955561.db2.gz AVTRCKMFAZQUTJ-CYBMUJFWSA-N -1 0 327.432 2.764 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)C(=O)[O-] ZINC001588543926 1092958836 /nfs/dbraw/zinc/95/88/36/1092958836.db2.gz QLUHLZDPOSNRHS-INIZCTEOSA-N -1 0 340.379 2.912 20 30 EFEDRM C=CCCCS(=O)(=O)N(CC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588600911 1092966557 /nfs/dbraw/zinc/96/65/57/1092966557.db2.gz UIDCMCHSSBLUGR-CYBMUJFWSA-N -1 0 349.460 2.546 20 30 EFEDRM C=CCCCN(CC)C(=O)Nc1cc(OC)c(-c2nn[nH]n2)cc1F ZINC001588602056 1092967885 /nfs/dbraw/zinc/96/78/85/1092967885.db2.gz ZKFQVGDENKFSHU-UHFFFAOYSA-N -1 0 348.382 2.834 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[nH]n2)c(C)c1 ZINC001588654157 1092974363 /nfs/dbraw/zinc/97/43/63/1092974363.db2.gz ALPZVRLEYFATDB-GOSISDBHSA-N -1 0 346.394 2.928 20 30 EFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[nH]n2)c(C)c1 ZINC001588654159 1092975872 /nfs/dbraw/zinc/97/58/72/1092975872.db2.gz ALPZVRLEYFATDB-SFHVURJKSA-N -1 0 346.394 2.928 20 30 EFEDRM C=CCN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)c(C)c2)SC1=S ZINC001588654874 1092976168 /nfs/dbraw/zinc/97/61/68/1092976168.db2.gz QFCUMSPNCNXLDK-WQLSENKSSA-N -1 0 343.437 2.562 20 30 EFEDRM CC#CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001588747409 1092983205 /nfs/dbraw/zinc/98/32/05/1092983205.db2.gz FKGQQGHPDMWICI-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)cc2)o1 ZINC001588781226 1092992297 /nfs/dbraw/zinc/99/22/97/1092992297.db2.gz NHESSMFHFCHNSE-UHFFFAOYSA-N -1 0 329.339 2.953 20 30 EFEDRM Cc1ccc(O)c(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001588781391 1092992499 /nfs/dbraw/zinc/99/24/99/1092992499.db2.gz ZOGMDESVRRMGJH-UHFFFAOYSA-N -1 0 341.375 2.828 20 30 EFEDRM Cc1nc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cs1 ZINC001588782363 1092992685 /nfs/dbraw/zinc/99/26/85/1092992685.db2.gz TXYAATJQHRUJSR-UHFFFAOYSA-N -1 0 346.420 2.654 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2)o1 ZINC001588782202 1092992824 /nfs/dbraw/zinc/99/28/24/1092992824.db2.gz PJLXBBXSJLUNHA-UHFFFAOYSA-N -1 0 325.376 2.889 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2CC(CF)(CF)C2)o1 ZINC001589238541 1093054882 /nfs/dbraw/zinc/05/48/82/1093054882.db2.gz ZKMCNNVAEUYFCB-UHFFFAOYSA-N -1 0 339.350 2.639 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001650299613 1093124381 /nfs/dbraw/zinc/12/43/81/1093124381.db2.gz SIKLIVYHLDUIDQ-NSHDSACASA-N -1 0 326.404 2.562 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCC2Cc3ccccc3C2)o1 ZINC001589774263 1093142716 /nfs/dbraw/zinc/14/27/16/1093142716.db2.gz VRBAMXRJDYAMIC-UHFFFAOYSA-N -1 0 337.387 2.791 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC(F)(F)CC2)o1 ZINC001589773497 1093143242 /nfs/dbraw/zinc/14/32/42/1093143242.db2.gz IVPMJSDOTTVTDZ-UHFFFAOYSA-N -1 0 325.323 2.955 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001650321026 1093150592 /nfs/dbraw/zinc/15/05/92/1093150592.db2.gz LBHZCNPFBAUDLC-RDJZCZTQSA-N -1 0 341.411 2.974 20 30 EFEDRM CC(C)c1ccc(C[C@@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001589896308 1093170842 /nfs/dbraw/zinc/17/08/42/1093170842.db2.gz FVPTYPOSUYTICT-GFCCVEGCSA-N -1 0 348.414 2.695 20 30 EFEDRM CC1(C)CCC(C)(CNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001590088736 1093259251 /nfs/dbraw/zinc/25/92/51/1093259251.db2.gz GJNRXSJHDGQNDV-UHFFFAOYSA-N -1 0 326.408 2.547 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@]2(C)CCCS2)o1 ZINC001590120531 1093273155 /nfs/dbraw/zinc/27/31/55/1093273155.db2.gz PTWMCHFDZPBSNW-AWEZNQCLSA-N -1 0 335.437 2.836 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000780351229 1093378226 /nfs/dbraw/zinc/37/82/26/1093378226.db2.gz VSCSMXCEEDUZAZ-UHFFFAOYSA-N -1 0 330.409 2.623 20 30 EFEDRM CCCCCCCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001590594865 1093506196 /nfs/dbraw/zinc/50/61/96/1093506196.db2.gz VIIFGTTWYGKSHM-UHFFFAOYSA-N -1 0 342.396 2.685 20 30 EFEDRM CCCCOc1ccccc1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001590611278 1093515495 /nfs/dbraw/zinc/51/54/95/1093515495.db2.gz KVAHQJKPKIPUQH-UHFFFAOYSA-N -1 0 341.375 2.788 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001591509416 1093746042 /nfs/dbraw/zinc/74/60/42/1093746042.db2.gz WQTNUKQFMXMZMT-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM Cc1cc(C=CC(=O)c2cccc(C(=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001591959656 1093932826 /nfs/dbraw/zinc/93/28/26/1093932826.db2.gz VDOGBONGOOJCSE-SOFGYWHQSA-N -1 0 334.335 2.769 20 30 EFEDRM Cc1cc(OC(=O)c2cscc2-c2nn[nH]n2)c(C)c(C)c1C#N ZINC001592061148 1093972107 /nfs/dbraw/zinc/97/21/07/1093972107.db2.gz WDYFPOMSJOGDMR-UHFFFAOYSA-N -1 0 339.380 2.944 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001592113622 1093984949 /nfs/dbraw/zinc/98/49/49/1093984949.db2.gz UFBXQXBXJKGAKB-LBPRGKRZSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1ccc(CCCN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cn1 ZINC001592150602 1094000678 /nfs/dbraw/zinc/00/06/78/1094000678.db2.gz IADIQQJCKWWGGH-UHFFFAOYSA-N -1 0 340.391 2.712 20 30 EFEDRM Cc1ccc2c(ccc(C)c2Cn2cnc(-c3nnn[n-]3)c2C#N)c1 ZINC001592205380 1094030416 /nfs/dbraw/zinc/03/04/16/1094030416.db2.gz UHKNIMIRFIWNRC-UHFFFAOYSA-N -1 0 329.367 2.753 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(Cl)cc(Cl)c1 ZINC001592334949 1094079299 /nfs/dbraw/zinc/07/92/99/1094079299.db2.gz IZXZHLRRIXBCCU-UHFFFAOYSA-N -1 0 334.170 2.598 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccccc2C(F)(F)F)o1 ZINC001592338568 1094081433 /nfs/dbraw/zinc/08/14/33/1094081433.db2.gz HVXCCJUYEIYLRD-UHFFFAOYSA-N -1 0 337.265 2.628 20 30 EFEDRM Fc1ccc(C=CC=NNCc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC001592648289 1094161716 /nfs/dbraw/zinc/16/17/16/1094161716.db2.gz GJAJTYZQGSPYFF-XJGNLEOYSA-N -1 0 340.337 2.934 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)ccc1C1CC1 ZINC001592689190 1094177247 /nfs/dbraw/zinc/17/72/47/1094177247.db2.gz JCCGCXLNZSSBGQ-UHFFFAOYSA-N -1 0 346.350 2.574 20 30 EFEDRM N#Cc1nc(Oc2cc(Cl)cc(Cl)c2)cnc1-c1nnn[n-]1 ZINC001592707495 1094182566 /nfs/dbraw/zinc/18/25/66/1094182566.db2.gz HLQVOUITSNTLPT-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM N#Cc1ncc(S[C@H]2CCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001592708686 1094182592 /nfs/dbraw/zinc/18/25/92/1094182592.db2.gz IUHMCIXLCYOHCH-ZDUSSCGKSA-N -1 0 335.396 2.698 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])cc1C ZINC001211616560 1094312909 /nfs/dbraw/zinc/31/29/09/1094312909.db2.gz OPXUFISCOVCKON-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM N#Cc1ccc(CCNc2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1 ZINC001167678360 1094457049 /nfs/dbraw/zinc/45/70/49/1094457049.db2.gz FWIYJRVVWPBHBJ-UHFFFAOYSA-N -1 0 336.273 2.720 20 30 EFEDRM Cc1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cnn1CC(C)C ZINC001600006901 1094715981 /nfs/dbraw/zinc/71/59/81/1094715981.db2.gz UZPHNHSZENDRQL-UHFFFAOYSA-N -1 0 341.367 2.774 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)[O-])nn1C ZINC001600009208 1094716806 /nfs/dbraw/zinc/71/68/06/1094716806.db2.gz JADFPNAMFMYIOT-XQRVVYSFSA-N -1 0 339.273 2.737 20 30 EFEDRM Cc1c(/C=C\C(=O)c2cnn(C3CCCC3)c2)c(C(=O)[O-])nn1C ZINC001600009608 1094718489 /nfs/dbraw/zinc/71/84/89/1094718489.db2.gz PRYMKKVVYJLBPV-FPLPWBNLSA-N -1 0 328.372 2.634 20 30 EFEDRM Cc1c(Cl)cnc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1C#N ZINC001600017300 1094723216 /nfs/dbraw/zinc/72/32/16/1094723216.db2.gz BJQRVJUCQLHQKZ-AWEZNQCLSA-N -1 0 349.749 2.998 20 30 EFEDRM Cc1c(Cl)cnc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1C#N ZINC001600017500 1094723337 /nfs/dbraw/zinc/72/33/37/1094723337.db2.gz HINVBAMAHVANRN-LBPRGKRZSA-N -1 0 333.697 2.759 20 30 EFEDRM Cc1c(Cl)cnc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1C#N ZINC001600017301 1094723390 /nfs/dbraw/zinc/72/33/90/1094723390.db2.gz BJQRVJUCQLHQKZ-CQSZACIVSA-N -1 0 349.749 2.998 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)COc1ccccc1C#N ZINC001600017466 1094723467 /nfs/dbraw/zinc/72/34/67/1094723467.db2.gz DCZORKMQWGTWHX-UHFFFAOYSA-N -1 0 329.283 2.688 20 30 EFEDRM Cc1c(N)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC001600021357 1094725897 /nfs/dbraw/zinc/72/58/97/1094725897.db2.gz KVMDIVNYJPXBLY-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM Cc1c(NCC(=O)N(C)C2(C#N)CCCCC2)ccc(F)c1C(=O)[O-] ZINC001600049423 1094742096 /nfs/dbraw/zinc/74/20/96/1094742096.db2.gz SMRRJBAAYJJRPO-UHFFFAOYSA-N -1 0 347.390 2.929 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccc(C#N)cc1C ZINC001600074782 1094753326 /nfs/dbraw/zinc/75/33/26/1094753326.db2.gz BGURTDPILNRZSG-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001600074452 1094753630 /nfs/dbraw/zinc/75/36/30/1094753630.db2.gz DTDFFGAIPUCKDQ-UHFFFAOYSA-N -1 0 329.381 2.901 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001600074260 1094754007 /nfs/dbraw/zinc/75/40/07/1094754007.db2.gz VHDFZVQXPCSWIS-IXDOHACOSA-N -1 0 326.396 2.972 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001600074718 1094754279 /nfs/dbraw/zinc/75/42/79/1094754279.db2.gz QCTHLMRAEQSBKL-UHFFFAOYSA-N -1 0 328.412 2.869 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600075835 1094754746 /nfs/dbraw/zinc/75/47/46/1094754746.db2.gz CUZKFGLMHAQIBO-GOSISDBHSA-N -1 0 341.342 2.521 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001600076142 1094754770 /nfs/dbraw/zinc/75/47/70/1094754770.db2.gz LFBKNZQJELKZGG-UHFFFAOYSA-N -1 0 332.319 2.760 20 30 EFEDRM Cc1cc(C(=O)CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)s1 ZINC001600075680 1094755470 /nfs/dbraw/zinc/75/54/70/1094755470.db2.gz LLLVYYOHCPSRHN-UHFFFAOYSA-N -1 0 348.424 2.545 20 30 EFEDRM Cc1cc(C#N)ccc1NC1CCC(OC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001600075304 1094755670 /nfs/dbraw/zinc/75/56/70/1094755670.db2.gz RPQNZPXNAPGCNU-UHFFFAOYSA-N -1 0 342.395 2.998 20 30 EFEDRM Cc1cc(C#N)nc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600076086 1094755953 /nfs/dbraw/zinc/75/59/53/1094755953.db2.gz XXJJOPUYTRTETR-LSDHHAIUSA-N -1 0 342.786 2.615 20 30 EFEDRM Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc(C)c1OCC(=O)[O-] ZINC001600078395 1094757614 /nfs/dbraw/zinc/75/76/14/1094757614.db2.gz HHGVCUCDLZNZFM-NSHDSACASA-N -1 0 330.384 2.531 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])c(C)n1Cc1ccccc1 ZINC001600077917 1094757647 /nfs/dbraw/zinc/75/76/47/1094757647.db2.gz IBQMZVLLZJLNNP-UHFFFAOYSA-N -1 0 339.395 2.594 20 30 EFEDRM Cc1cc(C(=O)NCC2(C#N)CCCCC2)cc(C)c1OCC(=O)[O-] ZINC001600093151 1094766568 /nfs/dbraw/zinc/76/65/68/1094766568.db2.gz IGKJCGJLKAVDEI-UHFFFAOYSA-N -1 0 344.411 2.971 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC001600122324 1094784629 /nfs/dbraw/zinc/78/46/29/1094784629.db2.gz DERKNAOFUPAEPW-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC001600123473 1094786826 /nfs/dbraw/zinc/78/68/26/1094786826.db2.gz KPMXTDGOMCCLBY-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)s1 ZINC001600141803 1094800395 /nfs/dbraw/zinc/80/03/95/1094800395.db2.gz GJHDSHXHJPEJQQ-NSHDSACASA-N -1 0 335.429 2.826 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])c1 ZINC001600170277 1094835791 /nfs/dbraw/zinc/83/57/91/1094835791.db2.gz QZLCYKZWOKDJIX-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(CN2CCC[C@@](C#N)(c3ccccn3)C2)oc1C(=O)[O-] ZINC001600192903 1094863780 /nfs/dbraw/zinc/86/37/80/1094863780.db2.gz IUWAWIKEKIEDMA-SFHVURJKSA-N -1 0 325.368 2.739 20 30 EFEDRM Cc1cc(CNC(=O)c2cc3ccccc3n2CC#N)oc1C(=O)[O-] ZINC001600202551 1094875136 /nfs/dbraw/zinc/87/51/36/1094875136.db2.gz TZGKKYSIWUVFNG-UHFFFAOYSA-N -1 0 337.335 2.695 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001600224298 1094901035 /nfs/dbraw/zinc/90/10/35/1094901035.db2.gz WJDYZMCBSOOBIZ-GFCCVEGCSA-N -1 0 331.347 2.724 20 30 EFEDRM Cc1cc(N(C)C)ccc1/C=C1/CCn2nc(C(=O)[O-])cc2C1=O ZINC001600237354 1094909188 /nfs/dbraw/zinc/90/91/88/1094909188.db2.gz WRLNHOFUYULYPN-LCYFTJDESA-N -1 0 325.368 2.626 20 30 EFEDRM Cc1cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)cc(C#N)n1 ZINC001600240573 1094910117 /nfs/dbraw/zinc/91/01/17/1094910117.db2.gz XTYCWZXBFCNITD-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1cc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)nc(C)c1C(=O)[O-] ZINC001600243546 1094912180 /nfs/dbraw/zinc/91/21/80/1094912180.db2.gz OATXGODHPJVALW-VMPITWQZSA-N -1 0 342.326 2.757 20 30 EFEDRM Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)nc(C)c1C(=O)[O-] ZINC001600274527 1094935487 /nfs/dbraw/zinc/93/54/87/1094935487.db2.gz LHAHZCPNBLFZRX-UHFFFAOYSA-N -1 0 331.278 2.799 20 30 EFEDRM Cc1cc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)ncc1C#N ZINC001600274580 1094935641 /nfs/dbraw/zinc/93/56/41/1094935641.db2.gz MYSJLVGGOFKJCH-UHFFFAOYSA-N -1 0 339.351 2.594 20 30 EFEDRM Cc1cc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])nn1CCC#N ZINC001600279617 1094940845 /nfs/dbraw/zinc/94/08/45/1094940845.db2.gz MVEOXPGEROFVMW-CQSZACIVSA-N -1 0 332.791 2.866 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)oc1C(=O)[O-] ZINC001600300957 1094952777 /nfs/dbraw/zinc/95/27/77/1094952777.db2.gz RJVUVAGTRCUDNG-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001600328504 1094975547 /nfs/dbraw/zinc/97/55/47/1094975547.db2.gz KGUIFKQQHIXRHN-NSHDSACASA-N -1 0 341.392 2.765 20 30 EFEDRM Cc1ccc(C#N)c(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n1 ZINC001600327383 1094975639 /nfs/dbraw/zinc/97/56/39/1094975639.db2.gz AGOAEZZREOYOGU-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001600328916 1094975649 /nfs/dbraw/zinc/97/56/49/1094975649.db2.gz YOQDVTWEJPPYPK-LLVKDONJSA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001600328917 1094975812 /nfs/dbraw/zinc/97/58/12/1094975812.db2.gz YOQDVTWEJPPYPK-NSHDSACASA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001600328535 1094976386 /nfs/dbraw/zinc/97/63/86/1094976386.db2.gz AFMPQANSMPUFKA-SIFUEBAJSA-N -1 0 329.396 2.884 20 30 EFEDRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1C#N ZINC001600334372 1094980355 /nfs/dbraw/zinc/98/03/55/1094980355.db2.gz RKMQLZZGZUGOTJ-OLZOCXBDSA-N -1 0 340.301 2.592 20 30 EFEDRM Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1C#N ZINC001600337920 1094982317 /nfs/dbraw/zinc/98/23/17/1094982317.db2.gz QPFWAHHHOVDPAT-IBGZPJMESA-N -1 0 340.354 2.822 20 30 EFEDRM Cc1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1C#N ZINC001600336699 1094982404 /nfs/dbraw/zinc/98/24/04/1094982404.db2.gz CLQVBGYJNVXPIX-KSSFIOAISA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1ccc(C(=O)Nc2c3cccnc3n(C)c2C(=O)[O-])cc1C#N ZINC001600342434 1094985487 /nfs/dbraw/zinc/98/54/87/1094985487.db2.gz QRZXQFSASBCQQY-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM Cc1ccc(C(=O)[O-])c2c1N(C(=O)CC1(C#N)CCOCC1)CCC2 ZINC001600346250 1094988978 /nfs/dbraw/zinc/98/89/78/1094988978.db2.gz ICUHBLLQYWUGJD-UHFFFAOYSA-N -1 0 342.395 2.683 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCc2ccc(C#N)cc21 ZINC001600356215 1094996473 /nfs/dbraw/zinc/99/64/73/1094996473.db2.gz XKLWHWDVYUIMCD-UHFFFAOYSA-N -1 0 335.363 2.566 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001600361532 1095001837 /nfs/dbraw/zinc/00/18/37/1095001837.db2.gz YVBSJFRNKVJECR-UHFFFAOYSA-N -1 0 347.330 2.970 20 30 EFEDRM Cc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(Cl)n1 ZINC001600365704 1095006057 /nfs/dbraw/zinc/00/60/57/1095006057.db2.gz SXPHSKGBXOPODZ-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc(C#N)c23)C(=O)[O-])cc1 ZINC001600378138 1095017384 /nfs/dbraw/zinc/01/73/84/1095017384.db2.gz VCYXJYGBSPYAJH-OAHLLOKOSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc(C)c(NC(=S)NN=Cc2cccn2CC(=O)[O-])c1 ZINC001600388793 1095027579 /nfs/dbraw/zinc/02/75/79/1095027579.db2.gz IPZXAAGJCPRKKR-UHFFFAOYSA-N -1 0 330.413 2.510 20 30 EFEDRM Cc1ccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C#N ZINC001600417072 1095048678 /nfs/dbraw/zinc/04/86/78/1095048678.db2.gz RGRJAUGMCFZOJY-GOSISDBHSA-N -1 0 349.390 2.760 20 30 EFEDRM Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1C#N ZINC001600416889 1095048913 /nfs/dbraw/zinc/04/89/13/1095048913.db2.gz UPESXFHYYZMYPK-UHFFFAOYSA-N -1 0 344.758 2.935 20 30 EFEDRM Cc1ccc(CS(=O)(=O)C[C@H]2CCCC[C@@H]2C(=O)[O-])cc1C#N ZINC001600421665 1095053142 /nfs/dbraw/zinc/05/31/42/1095053142.db2.gz FUHJAURLAHPJQI-ZBFHGGJFSA-N -1 0 335.425 2.673 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNC(=S)Nc2cc(C)ccc2F)n1C ZINC001600429403 1095060594 /nfs/dbraw/zinc/06/05/94/1095060594.db2.gz PXHUDPARXPSPCE-UHFFFAOYSA-N -1 0 348.403 2.800 20 30 EFEDRM Cc1ccc(NN=Cc2ccc(-n3cncn3)c(F)c2)cc1C(=O)[O-] ZINC001600463328 1095085422 /nfs/dbraw/zinc/08/54/22/1095085422.db2.gz RJAWEMPZCWBCOO-UHFFFAOYSA-N -1 0 339.330 2.859 20 30 EFEDRM Cc1ccc2c(n1)sc(C(=O)[O-])c2NC(=O)c1cccc(C#N)n1 ZINC001600493167 1095106966 /nfs/dbraw/zinc/10/69/66/1095106966.db2.gz IQIGBAXECWNOIY-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM Cc1cccc(C#N)c1S(=O)(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001600511352 1095123720 /nfs/dbraw/zinc/12/37/20/1095123720.db2.gz ZWFBFMVCDARMMS-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cccc(C#N)c1SCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001600511338 1095123869 /nfs/dbraw/zinc/12/38/69/1095123869.db2.gz ZKSPBCSHEGODMD-UHFFFAOYSA-N -1 0 347.421 2.681 20 30 EFEDRM Cc1cccc([C@H](CC(=O)[O-])/N=C\c2c(O)c(C)ncc2CO)c1 ZINC001600518880 1095129939 /nfs/dbraw/zinc/12/99/39/1095129939.db2.gz VCNIZMCGASVZHW-DMOKECBHSA-N -1 0 328.368 2.531 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2ccccc2CC#N)C(=O)[O-])c1 ZINC001600527952 1095137042 /nfs/dbraw/zinc/13/70/42/1095137042.db2.gz SFDPVDVROCHGMS-KRWDZBQOSA-N -1 0 336.391 2.734 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001600540894 1095148932 /nfs/dbraw/zinc/14/89/32/1095148932.db2.gz PTBLCEXADNCRTH-MRXNPFEDSA-N -1 0 336.347 2.583 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)Nc3ccccc3C(=O)[O-])nc21 ZINC001600555311 1095160374 /nfs/dbraw/zinc/16/03/74/1095160374.db2.gz PXYFMBSCWQFYNY-GFCCVEGCSA-N -1 0 334.335 2.815 20 30 EFEDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001600557705 1095162671 /nfs/dbraw/zinc/16/26/71/1095162671.db2.gz XKDQJPMBCWMDCK-SFHVURJKSA-N -1 0 349.390 2.589 20 30 EFEDRM Cc1ccccc1[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1 ZINC001600572143 1095177228 /nfs/dbraw/zinc/17/72/28/1095177228.db2.gz GEBYAMDWGWFRJF-INIZCTEOSA-N -1 0 341.411 2.846 20 30 EFEDRM Cc1ccnc(Oc2ccc(C(=O)N(CC#N)CCC(=O)[O-])cc2)c1 ZINC001600602208 1095204065 /nfs/dbraw/zinc/20/40/65/1095204065.db2.gz DLMZKOVXXSLXRP-UHFFFAOYSA-N -1 0 339.351 2.623 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)OC(=O)C#CC(C)(C)C ZINC001600648768 1095235799 /nfs/dbraw/zinc/23/57/99/1095235799.db2.gz NHFJZAWMICEING-SNVBAGLBSA-N -1 0 337.397 2.674 20 30 EFEDRM Cc1csc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1C#N ZINC001600663399 1095245933 /nfs/dbraw/zinc/24/59/33/1095245933.db2.gz JLKASVIPDBAAKY-UHFFFAOYSA-N -1 0 334.357 2.671 20 30 EFEDRM Cc1nc(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)ccc1C#N ZINC001600684090 1095256308 /nfs/dbraw/zinc/25/63/08/1095256308.db2.gz RDABPEZUFMEAMT-MPBGBICISA-N -1 0 349.390 2.869 20 30 EFEDRM Cc1nc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)ccc1C#N ZINC001600686505 1095257877 /nfs/dbraw/zinc/25/78/77/1095257877.db2.gz MHHSGEWZEMOQSQ-UHFFFAOYSA-N -1 0 332.262 2.595 20 30 EFEDRM Cc1nc(NC(=O)C(C)(C)c2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001600710981 1095280411 /nfs/dbraw/zinc/28/04/11/1095280411.db2.gz YWQOPBWGUXVUNZ-UHFFFAOYSA-N -1 0 329.381 2.938 20 30 EFEDRM Cc1nc(OCc2ccc(C(=O)[O-])o2)c(Br)cc1C#N ZINC001600719839 1095285919 /nfs/dbraw/zinc/28/59/19/1095285919.db2.gz OXNMASOJKBWZRK-UHFFFAOYSA-N -1 0 337.129 2.894 20 30 EFEDRM Cc1nn(C)c2sc(C(=O)/C=C/c3c(C)n(C)nc3C(=O)[O-])cc12 ZINC001600774991 1095323574 /nfs/dbraw/zinc/32/35/74/1095323574.db2.gz AYYAXUDKFGHZBV-AATRIKPKSA-N -1 0 344.396 2.579 20 30 EFEDRM Cc1nn(C)c2sc(C(=O)/C=C\c3c(C)n(C)nc3C(=O)[O-])cc12 ZINC001600774992 1095324882 /nfs/dbraw/zinc/32/48/82/1095324882.db2.gz AYYAXUDKFGHZBV-WAYWQWQTSA-N -1 0 344.396 2.579 20 30 EFEDRM Cc1nnc(-c2cccc(C#N)c2)n1CCOc1ccccc1C(=O)[O-] ZINC001600791466 1095335998 /nfs/dbraw/zinc/33/59/98/1095335998.db2.gz PFNZBCYDUTUZHR-UHFFFAOYSA-N -1 0 348.362 2.902 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001600810984 1095347333 /nfs/dbraw/zinc/34/73/33/1095347333.db2.gz PKAIATBCMPGZAP-UHFFFAOYSA-N -1 0 325.320 2.767 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001600821964 1095354650 /nfs/dbraw/zinc/35/46/50/1095354650.db2.gz MEDRMEZPERUWHV-OAHLLOKOSA-N -1 0 341.367 2.864 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001600822146 1095354903 /nfs/dbraw/zinc/35/49/03/1095354903.db2.gz GPRNRLWKOCNBRS-GOSISDBHSA-N -1 0 341.367 2.577 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC1(C(=O)[O-])CCC1 ZINC001600822871 1095356654 /nfs/dbraw/zinc/35/66/54/1095356654.db2.gz SLVSNMFCZGOAPO-UHFFFAOYSA-N -1 0 328.324 2.662 20 30 EFEDRM Cc1oc(CN(C)C(=O)c2c[nH]c3cccc(C#N)c32)cc1C(=O)[O-] ZINC001600841834 1095371018 /nfs/dbraw/zinc/37/10/18/1095371018.db2.gz FXDKTWATBJUBFU-UHFFFAOYSA-N -1 0 337.335 2.911 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600840329 1095371827 /nfs/dbraw/zinc/37/18/27/1095371827.db2.gz BKMUIZOVEAOCMU-UHFFFAOYSA-N -1 0 341.367 2.542 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC001600869654 1095392149 /nfs/dbraw/zinc/39/21/49/1095392149.db2.gz CCZXFJCNFLNNHN-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)NCCCCC#N)nc1C(=O)[O-] ZINC001600879606 1095403229 /nfs/dbraw/zinc/40/32/29/1095403229.db2.gz MXQPSJRUEUQKLF-NSHDSACASA-N -1 0 336.417 2.690 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600898081 1095414116 /nfs/dbraw/zinc/41/41/16/1095414116.db2.gz JSGFQKDISJWHMS-KRWDZBQOSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001600905476 1095418499 /nfs/dbraw/zinc/41/84/99/1095418499.db2.gz MQFOYRYXYUVWDS-LSDHHAIUSA-N -1 0 337.379 2.635 20 30 EFEDRM Cn1c(/C=C2\S/C(=N/C3CCCCC3)NC2=O)ccc1C(=O)[O-] ZINC001600910983 1095422563 /nfs/dbraw/zinc/42/25/63/1095422563.db2.gz AYCZTERZFLLECB-LCYFTJDESA-N -1 0 333.413 2.616 20 30 EFEDRM Cn1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1-c1ccco1 ZINC001600920965 1095430243 /nfs/dbraw/zinc/43/02/43/1095430243.db2.gz WDBLXHJTSTYSSP-CYBMUJFWSA-N -1 0 340.364 2.865 20 30 EFEDRM Cn1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1-c1ccco1 ZINC001600920966 1095430740 /nfs/dbraw/zinc/43/07/40/1095430740.db2.gz WDBLXHJTSTYSSP-ZDUSSCGKSA-N -1 0 340.364 2.865 20 30 EFEDRM Cn1cc(C(=O)[O-])c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)n1 ZINC001600934500 1095435559 /nfs/dbraw/zinc/43/55/59/1095435559.db2.gz GNBLITYRLQQFHD-AWEZNQCLSA-N -1 0 341.371 2.675 20 30 EFEDRM Cn1cc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)cc1C(=O)[O-] ZINC001600946704 1095440822 /nfs/dbraw/zinc/44/08/22/1095440822.db2.gz ONIAAAYYMZNYBM-JYRVWZFOSA-N -1 0 333.413 2.616 20 30 EFEDRM Cn1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1C(=O)[O-] ZINC001600966059 1095450014 /nfs/dbraw/zinc/45/00/14/1095450014.db2.gz ISNRKFUGOLZXKX-UHFFFAOYSA-N -1 0 336.307 2.502 20 30 EFEDRM N#C[C@H](C(=O)CCc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC001601047489 1095477592 /nfs/dbraw/zinc/47/75/92/1095477592.db2.gz RBIUHVDLQBZNQU-MRXNPFEDSA-N -1 0 336.347 2.665 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601047609 1095477675 /nfs/dbraw/zinc/47/76/75/1095477675.db2.gz VRCRPQCNPBBZKG-TUAOUCFPSA-N -1 0 348.786 2.878 20 30 EFEDRM N#C[C@H](C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC001601047289 1095477919 /nfs/dbraw/zinc/47/79/19/1095477919.db2.gz LZLNTPGIPZAORR-LLVKDONJSA-N -1 0 338.348 2.721 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2n1 ZINC001601046854 1095478125 /nfs/dbraw/zinc/47/81/25/1095478125.db2.gz DVGDTNRVTXFFGP-LBPRGKRZSA-N -1 0 335.294 2.957 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001601047734 1095478576 /nfs/dbraw/zinc/47/85/76/1095478576.db2.gz BYAOVSMWLMQWHD-SNVBAGLBSA-N -1 0 349.140 2.735 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601047608 1095478607 /nfs/dbraw/zinc/47/86/07/1095478607.db2.gz VRCRPQCNPBBZKG-QJPTWQEYSA-N -1 0 348.786 2.878 20 30 EFEDRM N#C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001601048872 1095479571 /nfs/dbraw/zinc/47/95/71/1095479571.db2.gz QXSFLIPNJJCDQJ-SBMIAAHKSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC001601049305 1095479748 /nfs/dbraw/zinc/47/97/48/1095479748.db2.gz KUAGXHOTPXJUBR-RDJZCZTQSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001601049158 1095479762 /nfs/dbraw/zinc/47/97/62/1095479762.db2.gz VAKYDBSYEOQNOE-ZDUSSCGKSA-N -1 0 348.362 2.972 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001601048129 1095480004 /nfs/dbraw/zinc/48/00/04/1095480004.db2.gz HMOQWKIOSMLLPV-VAOFZXAKSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001601049639 1095480014 /nfs/dbraw/zinc/48/00/14/1095480014.db2.gz NUMXZMIKNHSLTL-JKSUJKDBSA-N -1 0 338.363 2.819 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001601049847 1095480203 /nfs/dbraw/zinc/48/02/03/1095480203.db2.gz WXQHTEGABLWDTE-HUUCEWRRSA-N -1 0 330.359 2.536 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCc2cccc3ccccc32)CC1 ZINC001601051255 1095481417 /nfs/dbraw/zinc/48/14/17/1095481417.db2.gz ILZSBVWTUMYQNC-UHFFFAOYSA-N -1 0 336.391 2.989 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3c(F)cccc32)CC1 ZINC001601051449 1095481590 /nfs/dbraw/zinc/48/15/90/1095481590.db2.gz PUXGWTQWSJWCML-HNNXBMFYSA-N -1 0 345.374 2.603 20 30 EFEDRM N#C[C@]1(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC12CCCC2 ZINC001601050979 1095481629 /nfs/dbraw/zinc/48/16/29/1095481629.db2.gz VUACLVOVUVZBEH-INIZCTEOSA-N -1 0 333.775 2.523 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC2CCC1CC2 ZINC001601050844 1095481820 /nfs/dbraw/zinc/48/18/20/1095481820.db2.gz QBFCLHYWQLVCED-PRDDCLIZSA-N -1 0 333.413 2.819 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001601051592 1095481825 /nfs/dbraw/zinc/48/18/25/1095481825.db2.gz RVRKRKYCAWRRFX-GFCCVEGCSA-N -1 0 343.374 2.602 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCc2ccc3ccccc3c2)CC1 ZINC001601051444 1095481859 /nfs/dbraw/zinc/48/18/59/1095481859.db2.gz POPMTWHEZZIUFD-UHFFFAOYSA-N -1 0 336.391 2.989 20 30 EFEDRM N#CC1(CC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC001601055471 1095482681 /nfs/dbraw/zinc/48/26/81/1095482681.db2.gz ZSWAEVCPUZDGFX-UHFFFAOYSA-N -1 0 340.738 2.826 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC001601054012 1095482715 /nfs/dbraw/zinc/48/27/15/1095482715.db2.gz ZDXZKTJTARVYAP-UHFFFAOYSA-N -1 0 347.378 2.591 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001601053628 1095483001 /nfs/dbraw/zinc/48/30/01/1095483001.db2.gz MGUJLOVDAZSTEK-UHFFFAOYSA-N -1 0 343.261 2.808 20 30 EFEDRM N#C[C@@]1(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC12CCCC2 ZINC001601053856 1095483079 /nfs/dbraw/zinc/48/30/79/1095483079.db2.gz XBWKUSMWLFAOKD-QGZVFWFLSA-N -1 0 344.323 2.810 20 30 EFEDRM N#CC1(CCCOc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCOCC1 ZINC001601054379 1095483141 /nfs/dbraw/zinc/48/31/41/1095483141.db2.gz LGSKEIIROODGLY-UHFFFAOYSA-N -1 0 334.328 2.772 20 30 EFEDRM N#CC1(CCCOc2cccc(C(=O)[O-])c2[N+](=O)[O-])CCOCC1 ZINC001601055419 1095483234 /nfs/dbraw/zinc/48/32/34/1095483234.db2.gz ZZHVGBWIOJRTFC-UHFFFAOYSA-N -1 0 334.328 2.772 20 30 EFEDRM N#CC1(CC(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CCCCC1 ZINC001601054356 1095483254 /nfs/dbraw/zinc/48/32/54/1095483254.db2.gz FAKCXXVQQGQDIR-UHFFFAOYSA-N -1 0 342.395 2.970 20 30 EFEDRM N#CC1(CCCCn2cc(CN3CCCC[C@@H]3C(=O)[O-])nn2)CCC1 ZINC001601054110 1095483366 /nfs/dbraw/zinc/48/33/66/1095483366.db2.gz FYBCSXVINGLOBS-MRXNPFEDSA-N -1 0 345.447 2.581 20 30 EFEDRM N#CC1(CNC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCC1 ZINC001601056467 1095484384 /nfs/dbraw/zinc/48/43/84/1095484384.db2.gz JZRBVFNOUPTQRK-IBGZPJMESA-N -1 0 341.411 2.508 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC001601055741 1095484516 /nfs/dbraw/zinc/48/45/16/1095484516.db2.gz ZEGGILPLQCFTPN-UHFFFAOYSA-N -1 0 349.390 2.943 20 30 EFEDRM N#CC1(CNC(=O)NCCc2ccccc2C(=O)[O-])CCCCC1 ZINC001601056257 1095484523 /nfs/dbraw/zinc/48/45/23/1095484523.db2.gz FEDARRRJQUQVRJ-UHFFFAOYSA-N -1 0 329.400 2.701 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001601058577 1095484700 /nfs/dbraw/zinc/48/47/00/1095484700.db2.gz PFRIULZLDHYOFL-VOTSOKGWSA-N -1 0 337.379 2.830 20 30 EFEDRM N#CC1CCC(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001601058229 1095484749 /nfs/dbraw/zinc/48/47/49/1095484749.db2.gz KAJRHKFRBITYJW-UHFFFAOYSA-N -1 0 341.411 2.782 20 30 EFEDRM N#CC1(COC(=O)c2ccccc2-c2ccccc2C(=O)[O-])COC1 ZINC001601055995 1095484896 /nfs/dbraw/zinc/48/48/96/1095484896.db2.gz KYALTHLPFDTJNR-UHFFFAOYSA-N -1 0 337.331 2.749 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC001601058369 1095484969 /nfs/dbraw/zinc/48/49/69/1095484969.db2.gz MAVZOMFAGCYCOW-OAHLLOKOSA-N -1 0 348.815 2.951 20 30 EFEDRM N#CC[C@@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001601061625 1095486051 /nfs/dbraw/zinc/48/60/51/1095486051.db2.gz YMOKBFXOCXLNHG-HOTGVXAUSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001601060212 1095486207 /nfs/dbraw/zinc/48/62/07/1095486207.db2.gz ADDMVFXCMWVNOR-SJORKVTESA-N -1 0 337.379 2.801 20 30 EFEDRM N#CC[C@@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001601062322 1095486377 /nfs/dbraw/zinc/48/63/77/1095486377.db2.gz NJEQHXLNAXBLTG-LBPRGKRZSA-N -1 0 329.381 2.796 20 30 EFEDRM N#CC[C@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001601061532 1095486695 /nfs/dbraw/zinc/48/66/95/1095486695.db2.gz VSTOHOOJSDLJPJ-ROUUACIJSA-N -1 0 336.391 2.886 20 30 EFEDRM N#CCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001601065576 1095487762 /nfs/dbraw/zinc/48/77/62/1095487762.db2.gz JXCJJTDSEKQYND-INIZCTEOSA-N -1 0 346.408 2.579 20 30 EFEDRM N#CCCCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001601065426 1095487773 /nfs/dbraw/zinc/48/77/73/1095487773.db2.gz JUXOQDJCJIETQP-UHFFFAOYSA-N -1 0 330.388 2.800 20 30 EFEDRM N#CCCCn1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001601067074 1095488238 /nfs/dbraw/zinc/48/82/38/1095488238.db2.gz PZHNUYKPKFDHTG-MRXNPFEDSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC001601065301 1095488389 /nfs/dbraw/zinc/48/83/89/1095488389.db2.gz HYUZTWOHWAIITA-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM N#CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001601065648 1095488616 /nfs/dbraw/zinc/48/86/16/1095488616.db2.gz QYXRMIFUYUMQLR-UHFFFAOYSA-N -1 0 327.340 2.728 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001601072088 1095489384 /nfs/dbraw/zinc/48/93/84/1095489384.db2.gz NPPOWELNWXIJCC-UHFFFAOYSA-N -1 0 339.395 2.877 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(Br)c2cccnc12 ZINC001601072863 1095489656 /nfs/dbraw/zinc/48/96/56/1095489656.db2.gz PTFQGVVZNDJQDZ-UHFFFAOYSA-N -1 0 348.200 2.798 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001601069588 1095489677 /nfs/dbraw/zinc/48/96/77/1095489677.db2.gz FUFNQSUJBXPVHD-UHFFFAOYSA-N -1 0 334.681 2.799 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001601069279 1095489891 /nfs/dbraw/zinc/48/98/91/1095489891.db2.gz BMXINNBOCNTESG-UHFFFAOYSA-N -1 0 344.411 2.551 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C\c1ccsc1C(F)(F)F ZINC001601071008 1095489932 /nfs/dbraw/zinc/48/99/32/1095489932.db2.gz ORKGDLVHZKAZQX-UPHRSURJSA-N -1 0 332.303 2.607 20 30 EFEDRM N#CCOc1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001601074260 1095491813 /nfs/dbraw/zinc/49/18/13/1095491813.db2.gz PNBRGTKXSXUILV-UHFFFAOYSA-N -1 0 338.363 2.536 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001601074092 1095491831 /nfs/dbraw/zinc/49/18/31/1095491831.db2.gz XNZUYMOHSLMYLA-OLZOCXBDSA-N -1 0 349.362 2.883 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCCc2ccccc2C(=O)[O-])c1 ZINC001601076037 1095491941 /nfs/dbraw/zinc/49/19/41/1095491941.db2.gz VIZMXMPOVMLQFB-UHFFFAOYSA-N -1 0 339.347 2.616 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001601075095 1095491970 /nfs/dbraw/zinc/49/19/70/1095491970.db2.gz FSWVSWDHVYLXJQ-UHFFFAOYSA-N -1 0 327.365 2.835 20 30 EFEDRM N#CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001601076272 1095492864 /nfs/dbraw/zinc/49/28/64/1095492864.db2.gz YPMHDNPUJQFOGS-APWZRJJASA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001601076993 1095493101 /nfs/dbraw/zinc/49/31/01/1095493101.db2.gz GSEWVPRHQUZGHR-INIZCTEOSA-N -1 0 341.342 2.882 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001601076437 1095493225 /nfs/dbraw/zinc/49/32/25/1095493225.db2.gz HQVFKMWZDRILIN-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM N#CCc1cccc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001601077788 1095493303 /nfs/dbraw/zinc/49/33/03/1095493303.db2.gz MJHCQUCVGXZPJP-LLVKDONJSA-N -1 0 328.397 2.686 20 30 EFEDRM N#CCc1ccccc1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001601078413 1095493344 /nfs/dbraw/zinc/49/33/44/1095493344.db2.gz LUFFVNKIKONNOU-UHFFFAOYSA-N -1 0 328.412 2.837 20 30 EFEDRM N#CCc1ccc(CNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001601076817 1095493570 /nfs/dbraw/zinc/49/35/70/1095493570.db2.gz VBMAKMFSBXGMAL-UHFFFAOYSA-N -1 0 329.400 2.587 20 30 EFEDRM N#CCc1ccc(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001601076677 1095493612 /nfs/dbraw/zinc/49/36/12/1095493612.db2.gz OSICGAFQGPYLQV-PXNSSMCTSA-N -1 0 334.375 2.627 20 30 EFEDRM N#Cc1c(CSc2n[nH]c(-c3cccnc3)n2)cccc1C(=O)[O-] ZINC001601080709 1095494507 /nfs/dbraw/zinc/49/45/07/1095494507.db2.gz RLHRYAWEFXVHHF-UHFFFAOYSA-N -1 0 337.364 2.729 20 30 EFEDRM N#Cc1c(COc2cc(Cl)ccc2C(N)=O)cccc1C(=O)[O-] ZINC001601080425 1095494851 /nfs/dbraw/zinc/49/48/51/1095494851.db2.gz NFQUVZGDUJKKBB-UHFFFAOYSA-N -1 0 330.727 2.588 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001601078703 1095494897 /nfs/dbraw/zinc/49/48/97/1095494897.db2.gz WJRAICFEPXUITE-SQNIBIBYSA-N -1 0 340.423 2.787 20 30 EFEDRM N#Cc1c(CN2CCO[C@H](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001601082470 1095496391 /nfs/dbraw/zinc/49/63/91/1095496391.db2.gz VHFQDXWJSLFSMX-QGZVFWFLSA-N -1 0 336.391 2.700 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001601080947 1095496531 /nfs/dbraw/zinc/49/65/31/1095496531.db2.gz GHPIXUKJDCJKPU-UHFFFAOYSA-N -1 0 340.364 2.766 20 30 EFEDRM N#Cc1c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cccc1C(=O)[O-] ZINC001601081617 1095496805 /nfs/dbraw/zinc/49/68/05/1095496805.db2.gz NUTAZQJEWYAFLF-UHFFFAOYSA-N -1 0 349.390 2.520 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@H](C(=O)[O-])c3cccs3)ccc12 ZINC001601084889 1095497515 /nfs/dbraw/zinc/49/75/15/1095497515.db2.gz HMWPUDXHFIXDDD-AWEZNQCLSA-N -1 0 325.349 2.657 20 30 EFEDRM N#Cc1c(COC(=O)CCOCc2ccccc2)cccc1C(=O)[O-] ZINC001601083699 1095497582 /nfs/dbraw/zinc/49/75/82/1095497582.db2.gz OGLDARJHSVRRRL-UHFFFAOYSA-N -1 0 339.347 2.907 20 30 EFEDRM N#Cc1c(COC(=O)CCCOc2cccnc2)cccc1C(=O)[O-] ZINC001601083953 1095497627 /nfs/dbraw/zinc/49/76/27/1095497627.db2.gz ZFBQXWXLPUYIQQ-UHFFFAOYSA-N -1 0 340.335 2.554 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1cc(C(=O)[O-])on1)CCCCC2 ZINC001601084249 1095497732 /nfs/dbraw/zinc/49/77/32/1095497732.db2.gz PMQIEDHJJSTUME-UHFFFAOYSA-N -1 0 331.353 2.827 20 30 EFEDRM N#Cc1cc(Br)ccc1CC(=O)OCCCCC(=O)[O-] ZINC001601084344 1095497872 /nfs/dbraw/zinc/49/78/72/1095497872.db2.gz CBJVFZGMGVEJQG-UHFFFAOYSA-N -1 0 340.173 2.661 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cccc1OC(F)(F)F ZINC001601084376 1095497881 /nfs/dbraw/zinc/49/78/81/1095497881.db2.gz STLIBEFTBOREBT-OCAPTIKFSA-N -1 0 328.246 2.506 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001601084212 1095498171 /nfs/dbraw/zinc/49/81/71/1095498171.db2.gz NLWUPZJGRFSOGI-RHSMWYFYSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2Cc3ccc(F)cc32)cccc1C(=O)[O-] ZINC001601083933 1095498226 /nfs/dbraw/zinc/49/82/26/1095498226.db2.gz YMPWYRYRWDQJOG-OAHLLOKOSA-N -1 0 325.295 2.779 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1Cl ZINC001601086533 1095499195 /nfs/dbraw/zinc/49/91/95/1095499195.db2.gz VDDHLMPQMGWMQY-OAHLLOKOSA-N -1 0 346.745 2.776 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)CCCCCC(=O)[O-])c1 ZINC001601087018 1095499228 /nfs/dbraw/zinc/49/92/28/1095499228.db2.gz OZKNVZPATOKUAU-UHFFFAOYSA-N -1 0 331.777 2.565 20 30 EFEDRM N#Cc1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001601085963 1095499238 /nfs/dbraw/zinc/49/92/38/1095499238.db2.gz RMWHQHDBMUZNTN-UHFFFAOYSA-N -1 0 344.754 2.719 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)ccn1 ZINC001601085908 1095499262 /nfs/dbraw/zinc/49/92/62/1095499262.db2.gz PUOZVGPAIMAXKA-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001601086872 1095499277 /nfs/dbraw/zinc/49/92/77/1095499277.db2.gz MLUCHRUFANBZCF-STQMWFEESA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NCc3ccc(C(=O)[O-])cc3F)ccc12 ZINC001601085424 1095499407 /nfs/dbraw/zinc/49/94/07/1095499407.db2.gz XIALPJYJOYROET-UHFFFAOYSA-N -1 0 337.310 2.807 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2ccc(Cl)c3cccnc23)c1=O ZINC001601087912 1095500291 /nfs/dbraw/zinc/50/02/91/1095500291.db2.gz QWRLJBUKZAZPTJ-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cc(Cl)nc(N2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001601087766 1095500706 /nfs/dbraw/zinc/50/07/06/1095500706.db2.gz LHUFTEVYWVBRFY-UHFFFAOYSA-N -1 0 332.747 2.677 20 30 EFEDRM N#Cc1cc(C(=O)O[C@H]2C[C@](C(=O)[O-])(c3ccccc3)C2)cs1 ZINC001601088518 1095500842 /nfs/dbraw/zinc/50/08/42/1095500842.db2.gz WWCCNNNHGDAXNP-XFHMXUHZSA-N -1 0 327.361 2.962 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c(Cl)c1 ZINC001601087721 1095500933 /nfs/dbraw/zinc/50/09/33/1095500933.db2.gz ZNYMRFHKKNAEEO-WKEGUHRASA-N -1 0 349.120 2.561 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCc2c(Cl)cccc2Cl)c1=O ZINC001601087936 1095501260 /nfs/dbraw/zinc/50/12/60/1095501260.db2.gz SFFQVNBGTVXGTI-UHFFFAOYSA-N -1 0 337.162 2.968 20 30 EFEDRM N#Cc1cc(NCc2cn(CC(=O)[O-])nn2)ccc1Oc1ccccc1 ZINC001601089390 1095501428 /nfs/dbraw/zinc/50/14/28/1095501428.db2.gz PGYMTGZEIBXBTN-UHFFFAOYSA-N -1 0 349.350 2.639 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@@]2(CC(=O)[O-])CCCOC2)ccc1C1CC1 ZINC001601090514 1095502207 /nfs/dbraw/zinc/50/22/07/1095502207.db2.gz GBHKJAKYVDJLIS-GOSISDBHSA-N -1 0 343.383 2.581 20 30 EFEDRM N#Cc1ccc(-c2ccc(OC(=O)Cn3ccc(C(=O)[O-])n3)cc2)cc1 ZINC001601091619 1095502386 /nfs/dbraw/zinc/50/23/86/1095502386.db2.gz VGVZMJNQFDBGRE-UHFFFAOYSA-N -1 0 347.330 2.726 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])s2)c(F)cc1F ZINC001601090865 1095502459 /nfs/dbraw/zinc/50/24/59/1095502459.db2.gz XZGGHBUGPYTOMM-UHFFFAOYSA-N -1 0 337.307 2.918 20 30 EFEDRM N#Cc1ccc(-c2cc(C(=O)[O-])nn2CCOCC(F)(F)F)cc1 ZINC001601091410 1095502761 /nfs/dbraw/zinc/50/27/61/1095502761.db2.gz JNKMZUYMXHGHPG-UHFFFAOYSA-N -1 0 339.273 2.699 20 30 EFEDRM N#Cc1cc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)ncc1Br ZINC001601090394 1095502823 /nfs/dbraw/zinc/50/28/23/1095502823.db2.gz YUFBDTBKQSXNSO-RISCZKNCSA-N -1 0 336.189 2.549 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1 ZINC001601093930 1095503891 /nfs/dbraw/zinc/50/38/91/1095503891.db2.gz JOLCBULDTRVCMG-AWEZNQCLSA-N -1 0 334.253 2.531 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)nc1 ZINC001601093697 1095504136 /nfs/dbraw/zinc/50/41/36/1095504136.db2.gz YMQDMZGKTLDLHG-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001601092671 1095504704 /nfs/dbraw/zinc/50/47/04/1095504704.db2.gz VTZZHELLGIMJRD-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001601095518 1095505301 /nfs/dbraw/zinc/50/53/01/1095505301.db2.gz TVOJYPVUGTXBPW-VXGBXAGGSA-N -1 0 330.331 2.664 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(Cc2cc(C(=O)[O-])ccc2F)c1=O ZINC001601095254 1095505952 /nfs/dbraw/zinc/50/59/52/1095505952.db2.gz LPKSCOABAYYCME-UHFFFAOYSA-N -1 0 340.232 2.624 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(Cc2csc(C(=O)[O-])c2)c1=O ZINC001601095583 1095506645 /nfs/dbraw/zinc/50/66/45/1095506645.db2.gz VPNJFSFJQJNGCJ-UHFFFAOYSA-N -1 0 328.271 2.547 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC001601094494 1095507006 /nfs/dbraw/zinc/50/70/06/1095507006.db2.gz XYIAGKDHONCSFP-GFCCVEGCSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCCCCC(=O)C2)C(=O)[O-])cc1 ZINC001601096164 1095508099 /nfs/dbraw/zinc/50/80/99/1095508099.db2.gz POFCEXQRACTZHL-HOCLYGCPSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H](O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601096336 1095508347 /nfs/dbraw/zinc/50/83/47/1095508347.db2.gz SFUNAWAVPUJUPH-HUUCEWRRSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc(CCC(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001601098147 1095509712 /nfs/dbraw/zinc/50/97/12/1095509712.db2.gz SHDHUUIJDDQRKA-UHFFFAOYSA-N -1 0 337.331 2.615 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CCC2)cc1 ZINC001601097330 1095510106 /nfs/dbraw/zinc/51/01/06/1095510106.db2.gz FMGKTGUPGPUBQH-JKSUJKDBSA-N -1 0 326.396 2.945 20 30 EFEDRM N#Cc1ccc(CCC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001601098958 1095510329 /nfs/dbraw/zinc/51/03/29/1095510329.db2.gz CANVENURRARTOW-UHFFFAOYSA-N -1 0 343.770 2.554 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001601098120 1095510426 /nfs/dbraw/zinc/51/04/26/1095510426.db2.gz REYFSDMTUPEJGV-UHFFFAOYSA-N -1 0 341.342 2.689 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nc(C(F)F)cc(=O)[nH]2)C(=O)[O-])cc1 ZINC001601099645 1095511129 /nfs/dbraw/zinc/51/11/29/1095511129.db2.gz SLTZLVWOAVQBAU-LLVKDONJSA-N -1 0 337.307 2.909 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2coc(C3CCC3)n2)C(=O)[O-])cc1 ZINC001601099244 1095511567 /nfs/dbraw/zinc/51/15/67/1095511567.db2.gz KLDGBUXHVAOCOZ-CQSZACIVSA-N -1 0 326.308 2.796 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3c(c2)CCOC3)C(=O)[O-])cc1 ZINC001601100113 1095512303 /nfs/dbraw/zinc/51/23/03/1095512303.db2.gz ZVQJLDXQMIATKW-QGZVFWFLSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601099319 1095512336 /nfs/dbraw/zinc/51/23/36/1095512336.db2.gz KOXWCLCFQIVLOP-KRWDZBQOSA-N -1 0 328.412 2.888 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001601099872 1095512375 /nfs/dbraw/zinc/51/23/75/1095512375.db2.gz RMBPZKADAYDJKB-QGZVFWFLSA-N -1 0 345.358 2.528 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001601102974 1095513170 /nfs/dbraw/zinc/51/31/70/1095513170.db2.gz VLKCRFWHIMVCNX-UHFFFAOYSA-N -1 0 331.328 2.982 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001601103288 1095513794 /nfs/dbraw/zinc/51/37/94/1095513794.db2.gz LCVIUODFPBNDNR-UHFFFAOYSA-N -1 0 343.722 2.950 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001601103068 1095513970 /nfs/dbraw/zinc/51/39/70/1095513970.db2.gz AXICVKQMDUQTAN-OAHLLOKOSA-N -1 0 332.425 2.647 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])n2)cc1Cl ZINC001601101543 1095514055 /nfs/dbraw/zinc/51/40/55/1095514055.db2.gz TZBIILYZOQJDCN-UHFFFAOYSA-N -1 0 344.758 2.555 20 30 EFEDRM N#Cc1ccc(N2CC3CC2(C(=O)[O-])C3)c(F)c1Br ZINC001601104916 1095514764 /nfs/dbraw/zinc/51/47/64/1095514764.db2.gz RDSQSUSXBSRNQB-UHFFFAOYSA-N -1 0 325.137 2.513 20 30 EFEDRM N#Cc1ccc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)nc1N ZINC001601105216 1095515107 /nfs/dbraw/zinc/51/51/07/1095515107.db2.gz VIEDVEPEDDPKIG-UHFFFAOYSA-N -1 0 336.395 2.693 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001601106554 1095515114 /nfs/dbraw/zinc/51/51/14/1095515114.db2.gz VGUVPWAZLODVDN-UHFFFAOYSA-N -1 0 337.310 2.989 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001601108944 1095516220 /nfs/dbraw/zinc/51/62/20/1095516220.db2.gz WZYZUHDELJSHCO-KRWDZBQOSA-N -1 0 335.363 2.895 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C(F)(F)F ZINC001601107597 1095516598 /nfs/dbraw/zinc/51/65/98/1095516598.db2.gz YWAJYGNZBXFLFW-JTQLQIEISA-N -1 0 339.273 2.872 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001601108630 1095516661 /nfs/dbraw/zinc/51/66/61/1095516661.db2.gz RQEFEUQWIBHEDG-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)Nc3ccc(C(=O)[O-])s3)C2)cc1 ZINC001601109125 1095516982 /nfs/dbraw/zinc/51/69/82/1095516982.db2.gz GEPPNLSNFFKWRS-UHFFFAOYSA-N -1 0 343.364 2.613 20 30 EFEDRM N#Cc1ccc(NCc2ccc(OCCCC(=O)[O-])cc2)c(CO)c1 ZINC001601107933 1095517211 /nfs/dbraw/zinc/51/72/11/1095517211.db2.gz SJINIFMYVMTTHY-UHFFFAOYSA-N -1 0 340.379 2.906 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)[O-])C3CC3)cc2)nc1 ZINC001601111059 1095517766 /nfs/dbraw/zinc/51/77/66/1095517766.db2.gz PENWQSDBZONUJL-MRXNPFEDSA-N -1 0 338.319 2.766 20 30 EFEDRM N#Cc1ccc(Oc2cccc(Nc3nccnc3C(=O)[O-])c2)nc1 ZINC001601110971 1095517983 /nfs/dbraw/zinc/51/79/83/1095517983.db2.gz PWMHUIHRFRTUQP-UHFFFAOYSA-N -1 0 333.307 2.977 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC001601110366 1095518088 /nfs/dbraw/zinc/51/80/88/1095518088.db2.gz VFGADYTWCINNHB-UHFFFAOYSA-N -1 0 343.364 2.608 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C(=O)[O-])c1 ZINC001601111663 1095518219 /nfs/dbraw/zinc/51/82/19/1095518219.db2.gz DGOBNHAUKGLIKI-ZFWWWQNUSA-N -1 0 348.424 2.600 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001601110481 1095518426 /nfs/dbraw/zinc/51/84/26/1095518426.db2.gz ZWYXPOOKYBFQPA-UHFFFAOYSA-N -1 0 343.364 2.608 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NCCC2=CCCCCC2)c(C(=O)[O-])c1 ZINC001601111929 1095518606 /nfs/dbraw/zinc/51/86/06/1095518606.db2.gz PKXCWCMHAZCBMC-UHFFFAOYSA-N -1 0 348.424 2.815 20 30 EFEDRM N#Cc1ccc(OCc2nnc(C34CCC(C(=O)[O-])(CC3)C4)o2)cc1 ZINC001601109846 1095518732 /nfs/dbraw/zinc/51/87/32/1095518732.db2.gz PNZOBJFAAMNBKU-UHFFFAOYSA-N -1 0 339.351 2.807 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC001601110016 1095518889 /nfs/dbraw/zinc/51/88/89/1095518889.db2.gz GDQJNDLMYKCDIS-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001601114323 1095519368 /nfs/dbraw/zinc/51/93/68/1095519368.db2.gz APNJNKKFRBOUKR-UHFFFAOYSA-N -1 0 341.754 2.898 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)n2)c1 ZINC001601115288 1095519777 /nfs/dbraw/zinc/51/97/77/1095519777.db2.gz QSSXBGKKQMODOG-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1ccc(SCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001601113811 1095520404 /nfs/dbraw/zinc/52/04/04/1095520404.db2.gz VFIHNGQUNQSVPF-UHFFFAOYSA-N -1 0 332.425 2.944 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC001601114052 1095520428 /nfs/dbraw/zinc/52/04/28/1095520428.db2.gz IUNBVWTWVATILH-HNNXBMFYSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)NCC1(CC(=O)[O-])CCCC1)C2 ZINC001601115018 1095520449 /nfs/dbraw/zinc/52/04/49/1095520449.db2.gz IKAUEYDQDJSFAV-UHFFFAOYSA-N -1 0 327.384 2.619 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCOc2ccccc2)C(=O)[O-])c1 ZINC001601117351 1095521099 /nfs/dbraw/zinc/52/10/99/1095521099.db2.gz JOSMHUWHOIOFTB-KRWDZBQOSA-N -1 0 325.320 2.696 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CSc2ccc(O)cc2)C(=O)[O-])c1 ZINC001601117069 1095521309 /nfs/dbraw/zinc/52/13/09/1095521309.db2.gz BRYTUCJOEIXGPW-MRXNPFEDSA-N -1 0 343.360 2.725 20 30 EFEDRM N#Cc1cccc([C@H](N[C@H]2c3ccccc3OC[C@@H]2F)C(=O)[O-])c1 ZINC001601117246 1095521614 /nfs/dbraw/zinc/52/16/14/1095521614.db2.gz AECLGPGNOSGNHL-XIRDDKMYSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)ccc2N)C(=O)[O-])c1 ZINC001601117650 1095521934 /nfs/dbraw/zinc/52/19/34/1095521934.db2.gz MSXMDMVIVCJGOO-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)CC2 ZINC001601115928 1095522026 /nfs/dbraw/zinc/52/20/26/1095522026.db2.gz XZVIOUQBTWFBTC-OXJNMPFZSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2Cc3ccc(F)cc32)C(=O)[O-])c1 ZINC001601119256 1095523205 /nfs/dbraw/zinc/52/32/05/1095523205.db2.gz XMKMVMYYDUIUKL-CVEARBPZSA-N -1 0 325.295 2.706 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](C3CCCCC3)C2)c1 ZINC001601119089 1095523710 /nfs/dbraw/zinc/52/37/10/1095523710.db2.gz NTEQHUJPBDVMAT-ROUUACIJSA-N -1 0 328.412 2.965 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCCc2ccccc2N)C(=O)[O-])c1 ZINC001601118720 1095524178 /nfs/dbraw/zinc/52/41/78/1095524178.db2.gz ZIYKJFCHQQLBDJ-GOSISDBHSA-N -1 0 338.363 2.832 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc([C@@H]3CCC(=O)N3)c2)C(=O)[O-])c1 ZINC001601118361 1095524263 /nfs/dbraw/zinc/52/42/63/1095524263.db2.gz JPUDVZSGWJNZDS-FUHWJXTLSA-N -1 0 335.363 2.747 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)COc2cc(F)cc(F)c2)C(=O)[O-])c1 ZINC001601118279 1095524291 /nfs/dbraw/zinc/52/42/91/1095524291.db2.gz UYAFKEKNSVEXIL-MRXNPFEDSA-N -1 0 347.273 2.584 20 30 EFEDRM N#Cc1cccc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)c1 ZINC001601120160 1095524773 /nfs/dbraw/zinc/52/47/73/1095524773.db2.gz KAGKKQZRRKMDDI-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2csc(NC3CC3)n2)C(=O)[O-])c1 ZINC001601120559 1095524848 /nfs/dbraw/zinc/52/48/48/1095524848.db2.gz YZSXIMCKINVFCB-ZDUSSCGKSA-N -1 0 343.364 2.572 20 30 EFEDRM N#Cc1cccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001601121007 1095525047 /nfs/dbraw/zinc/52/50/47/1095525047.db2.gz YRMFGGBAYDAVIB-ZDUSSCGKSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2scnc2C2CC2)C(=O)[O-])c1 ZINC001601120569 1095525129 /nfs/dbraw/zinc/52/51/29/1095525129.db2.gz ZFWOUOKTQZTODL-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NCc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC001601120416 1095525139 /nfs/dbraw/zinc/52/51/39/1095525139.db2.gz UIWXHLYDQWNVKT-UHFFFAOYSA-N -1 0 334.375 2.533 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2n[nH]c3c2CCCCC3)C(=O)[O-])c1 ZINC001601120488 1095525182 /nfs/dbraw/zinc/52/51/82/1095525182.db2.gz WQLYDZAETSERDI-INIZCTEOSA-N -1 0 339.351 2.533 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)c1 ZINC001601120468 1095525556 /nfs/dbraw/zinc/52/55/56/1095525556.db2.gz WAAMZAXLTVACPZ-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC001601120847 1095525570 /nfs/dbraw/zinc/52/55/70/1095525570.db2.gz PDXXRLLSPRYUTD-AWEZNQCLSA-N -1 0 338.367 2.551 20 30 EFEDRM N#Cc1cccc(NC(=O)CCSc2ncccc2C(=O)[O-])c1 ZINC001601120766 1095525620 /nfs/dbraw/zinc/52/56/20/1095525620.db2.gz LBIAQYBRBFOMLU-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001601119621 1095525670 /nfs/dbraw/zinc/52/56/70/1095525670.db2.gz VEVXSVCYWPKZLE-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001601123929 1095526576 /nfs/dbraw/zinc/52/65/76/1095526576.db2.gz AMZIAKPOZVNMSC-UHFFFAOYSA-N -1 0 344.317 2.594 20 30 EFEDRM N#Cc1cccc(COc2ccc(Nc3ccnc(C(=O)[O-])n3)cc2)c1 ZINC001601122706 1095526833 /nfs/dbraw/zinc/52/68/33/1095526833.db2.gz GAQCELWIHRPAAS-UHFFFAOYSA-N -1 0 346.346 2.791 20 30 EFEDRM N#Cc1cccc(OCCCn2nc(C(=O)[O-])c3c2CCCC3)c1 ZINC001601123897 1095526840 /nfs/dbraw/zinc/52/68/40/1095526840.db2.gz ZJWCVZCAYYMNSZ-UHFFFAOYSA-N -1 0 325.368 2.801 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001601123595 1095526986 /nfs/dbraw/zinc/52/69/86/1095526986.db2.gz KMIRWHCFVKHUNK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(CNC(=O)CSCc2ccc(C(=O)[O-])s2)c1 ZINC001601123275 1095527076 /nfs/dbraw/zinc/52/70/76/1095527076.db2.gz SKHMJAKUUKEGKZ-UHFFFAOYSA-N -1 0 346.433 2.868 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2ncc(C(=O)[O-])c3ccccc32)c1 ZINC001601122803 1095527186 /nfs/dbraw/zinc/52/71/86/1095527186.db2.gz RJNCHEDLMFQYGV-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1cccc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001601123074 1095527336 /nfs/dbraw/zinc/52/73/36/1095527336.db2.gz ZCFVXINLRNPHOI-LSDHHAIUSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001601121777 1095527348 /nfs/dbraw/zinc/52/73/48/1095527348.db2.gz ULQISDSZWAOTOP-BEFAXECRSA-N -1 0 342.395 2.573 20 30 EFEDRM N#Cc1cccc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001601122071 1095527685 /nfs/dbraw/zinc/52/76/85/1095527685.db2.gz DYSUYWHXRQNSOH-LSDHHAIUSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601124645 1095528657 /nfs/dbraw/zinc/52/86/57/1095528657.db2.gz PXRHXSCZUJQPGO-UHFFFAOYSA-N -1 0 337.295 2.653 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NCCOc3ccc(C(=O)[O-])cc3)c21 ZINC001601124214 1095529329 /nfs/dbraw/zinc/52/93/29/1095529329.db2.gz GRRIBSYFPXLJCC-UHFFFAOYSA-N -1 0 349.346 2.547 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC001601124279 1095529673 /nfs/dbraw/zinc/52/96/73/1095529673.db2.gz IPOUQUZBUCRDRT-ZWKOTPCHSA-N -1 0 334.375 2.775 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H](CF)C(=O)[O-] ZINC001601127890 1095530321 /nfs/dbraw/zinc/53/03/21/1095530321.db2.gz XLKIPLYNQOSTLH-CYBMUJFWSA-N -1 0 328.299 2.503 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001601128474 1095530511 /nfs/dbraw/zinc/53/05/11/1095530511.db2.gz NVMVSDXIRKKCLV-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001601126408 1095530670 /nfs/dbraw/zinc/53/06/70/1095530670.db2.gz XFWCMUZZBMXQPX-JXMROGBWSA-N -1 0 347.374 2.858 20 30 EFEDRM N#Cc1ccccc1CSCCNc1cc(CC(=O)[O-])ccn1 ZINC001601125629 1095530838 /nfs/dbraw/zinc/53/08/38/1095530838.db2.gz QSSFYYOQSZHNSS-UHFFFAOYSA-N -1 0 327.409 2.926 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001601126174 1095530977 /nfs/dbraw/zinc/53/09/77/1095530977.db2.gz ZHRJXKMFWWBXNY-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601125299 1095531061 /nfs/dbraw/zinc/53/10/61/1095531061.db2.gz DLBHCRFRGMOXBZ-FPLPWBNLSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001601125355 1095531195 /nfs/dbraw/zinc/53/11/95/1095531195.db2.gz GODZTASGUXMDFL-JKSUJKDBSA-N -1 0 336.347 2.764 20 30 EFEDRM N#Cc1ccccc1OCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001601126541 1095531272 /nfs/dbraw/zinc/53/12/72/1095531272.db2.gz DMYYXAKOUXEIFF-UHFFFAOYSA-N -1 0 338.363 2.530 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001601127443 1095531379 /nfs/dbraw/zinc/53/13/79/1095531379.db2.gz MDLCFQMLTMKTSN-CYBMUJFWSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001601126954 1095531450 /nfs/dbraw/zinc/53/14/50/1095531450.db2.gz XKYIGYVXUQWELS-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601125764 1095531612 /nfs/dbraw/zinc/53/16/12/1095531612.db2.gz JSKYFQOWBLUTBO-FPLPWBNLSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1cnc(N2CCOc3cc(C(=O)[O-])ccc3C2)c(Cl)c1 ZINC001601129953 1095532210 /nfs/dbraw/zinc/53/22/10/1095532210.db2.gz BPBJSLACANKRRH-UHFFFAOYSA-N -1 0 329.743 2.704 20 30 EFEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001601130327 1095532297 /nfs/dbraw/zinc/53/22/97/1095532297.db2.gz CYWIVRCVLAJOGO-JTQLQIEISA-N -1 0 349.749 2.579 20 30 EFEDRM N#Cc1cnc(NC[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001601130096 1095532395 /nfs/dbraw/zinc/53/23/95/1095532395.db2.gz JUJCWKSFOSJIFU-GFCCVEGCSA-N -1 0 346.184 2.996 20 30 EFEDRM N#Cc1csc(C(=O)OCCOc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001601130687 1095533214 /nfs/dbraw/zinc/53/32/14/1095533214.db2.gz JQTGIRWOACINGS-ZZXKWVIFSA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601130719 1095533364 /nfs/dbraw/zinc/53/33/64/1095533364.db2.gz LZVHXHZWNMOXEJ-RFAUZJTJSA-N -1 0 331.759 2.661 20 30 EFEDRM N#Cc1cnc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cn1 ZINC001601130326 1095533426 /nfs/dbraw/zinc/53/34/26/1095533426.db2.gz MRGWJXOJABHZBS-UHFFFAOYSA-N -1 0 337.364 2.782 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001601132396 1095534040 /nfs/dbraw/zinc/53/40/40/1095534040.db2.gz VSQGILRFBXGWFG-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001601132774 1095534102 /nfs/dbraw/zinc/53/41/02/1095534102.db2.gz DBLHJLHCXCFRTE-AWEZNQCLSA-N -1 0 329.400 2.685 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC001601133135 1095534428 /nfs/dbraw/zinc/53/44/28/1095534428.db2.gz MMZZWSIPLLYVBQ-SNVBAGLBSA-N -1 0 344.321 2.620 20 30 EFEDRM N#Cc1cscc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601132093 1095534573 /nfs/dbraw/zinc/53/45/73/1095534573.db2.gz GBOKNZKYZZAAJL-GFCCVEGCSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601131232 1095535023 /nfs/dbraw/zinc/53/50/23/1095535023.db2.gz UZSXXCUVZPRTCL-SNVBAGLBSA-N -1 0 331.322 2.719 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC001601135985 1095535933 /nfs/dbraw/zinc/53/59/33/1095535933.db2.gz YZNGBALKBSOERY-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM N#Cc1sc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)nc1Cl ZINC001601136278 1095536321 /nfs/dbraw/zinc/53/63/21/1095536321.db2.gz MVYVJXGWQCPKHJ-NTSWFWBYSA-N -1 0 339.726 2.758 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1nc2cc(Cl)ccc2[nH]1 ZINC001601134975 1095536729 /nfs/dbraw/zinc/53/67/29/1095536729.db2.gz SPVGSRVFOKDTMY-UHFFFAOYSA-N -1 0 327.731 2.793 20 30 EFEDRM N#Cc1sccc1-c1ccc(S(=O)(=O)CCCC(=O)[O-])cc1 ZINC001601136668 1095537757 /nfs/dbraw/zinc/53/77/57/1095537757.db2.gz YZDZCVSZXOYUCD-UHFFFAOYSA-N -1 0 335.406 2.925 20 30 EFEDRM O=C([O-])[C@H](C[C@H]1CCCO1)/N=C/c1cc(Br)ccc1O ZINC001601646173 1095783768 /nfs/dbraw/zinc/78/37/68/1095783768.db2.gz LIFYHPXYNXEUHN-FUTIWJJHSA-N -1 0 342.189 2.596 20 30 EFEDRM O=C([O-])COc1ccccc1/C=C1/S/C(=N/C2CCCC2)NC1=O ZINC001602095647 1096060462 /nfs/dbraw/zinc/06/04/62/1096060462.db2.gz HPZOMGSXLCVXPT-NTEUORMPSA-N -1 0 346.408 2.653 20 30 EFEDRM O=C([O-])COc1ccccc1/C=C1\S/C(=N/C2CCCC2)NC1=O ZINC001602095648 1096060869 /nfs/dbraw/zinc/06/08/69/1096060869.db2.gz HPZOMGSXLCVXPT-ZROIWOOFSA-N -1 0 346.408 2.653 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C/c1cccc(OC3CC3)c1F)C2=O ZINC001602306512 1096169016 /nfs/dbraw/zinc/16/90/16/1096169016.db2.gz XKPWHRYCPSHAGL-FLIBITNWSA-N -1 0 342.326 2.932 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C\c1cc(Cl)cc3c1OCC3)C2=O ZINC001602306291 1096169046 /nfs/dbraw/zinc/16/90/46/1096169046.db2.gz PSWAFXLAWRCYJO-WEVVVXLNSA-N -1 0 344.754 2.840 20 30 EFEDRM O=C([O-])c1ccc(Br)c(NN=Cc2cnc3n2CCC3)c1 ZINC001602314171 1096174704 /nfs/dbraw/zinc/17/47/04/1096174704.db2.gz SZPYLVSFUKUITQ-UHFFFAOYSA-N -1 0 349.188 2.736 20 30 EFEDRM O=C([O-])c1ccc(C=NOCc2cc(Br)no2)cc1 ZINC001602333225 1096183615 /nfs/dbraw/zinc/18/36/15/1096183615.db2.gz POWMEEVNEMQYHN-UHFFFAOYSA-N -1 0 325.118 2.686 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@H]2CC23CCSCC3)c1 ZINC001602430758 1096241071 /nfs/dbraw/zinc/24/10/71/1096241071.db2.gz PFECFTUBALAKEY-OAHLLOKOSA-N -1 0 330.405 2.813 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC001602553814 1096295918 /nfs/dbraw/zinc/29/59/18/1096295918.db2.gz LWLPPAMNAFSEOO-WAYWQWQTSA-N -1 0 327.336 2.711 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602670198 1096344215 /nfs/dbraw/zinc/34/42/15/1096344215.db2.gz PXEYLHGIZPEOLM-LLVKDONJSA-N -1 0 343.408 2.671 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001602671306 1096344463 /nfs/dbraw/zinc/34/44/63/1096344463.db2.gz QMKCXPWLIYSKKF-CYBMUJFWSA-N -1 0 329.400 2.908 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602671856 1096344656 /nfs/dbraw/zinc/34/46/56/1096344656.db2.gz XZPDBNDDFHLMSP-JTQLQIEISA-N -1 0 326.299 2.562 20 30 EFEDRM C#C[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602670644 1096344956 /nfs/dbraw/zinc/34/49/56/1096344956.db2.gz ZEFUBRDDXBIQFQ-CABZTGNLSA-N -1 0 328.290 2.542 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602674066 1096346137 /nfs/dbraw/zinc/34/61/37/1096346137.db2.gz LQTOGKZDYLMPAY-CJNGLKHVSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)[C@H]1CCCO1 ZINC001602677746 1096348242 /nfs/dbraw/zinc/34/82/42/1096348242.db2.gz AVPUROQMNCBNJH-FUHWJXTLSA-N -1 0 325.364 2.915 20 30 EFEDRM C#CC[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602684630 1096349523 /nfs/dbraw/zinc/34/95/23/1096349523.db2.gz CFSSRDWKGZKALP-JTQLQIEISA-N -1 0 336.121 2.678 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001602683665 1096349673 /nfs/dbraw/zinc/34/96/73/1096349673.db2.gz SDZWZVBPHKYFBS-MRXNPFEDSA-N -1 0 329.421 2.703 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001602684759 1096349734 /nfs/dbraw/zinc/34/97/34/1096349734.db2.gz FORGQXVNFIDCOK-HNNXBMFYSA-N -1 0 325.339 2.888 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC001602693555 1096351338 /nfs/dbraw/zinc/35/13/38/1096351338.db2.gz XRWWGTMLJLCGCA-CYBMUJFWSA-N -1 0 344.754 2.734 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCCCC1 ZINC001602699345 1096352636 /nfs/dbraw/zinc/35/26/36/1096352636.db2.gz BTEUNEQJXPOVAM-UHFFFAOYSA-N -1 0 339.388 2.528 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001602701556 1096352950 /nfs/dbraw/zinc/35/29/50/1096352950.db2.gz NMVNBEQPTIGVIU-AWEZNQCLSA-N -1 0 341.411 2.862 20 30 EFEDRM C#CCC1(c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2CC=C)CCCCC1 ZINC001602700122 1096352997 /nfs/dbraw/zinc/35/29/97/1096352997.db2.gz QSYRKKXKCLSRQZ-OAHLLOKOSA-N -1 0 342.443 2.600 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)CCCCC1 ZINC001602700346 1096353707 /nfs/dbraw/zinc/35/37/07/1096353707.db2.gz VRHKUMWUNZHXAT-UHFFFAOYSA-N -1 0 335.425 2.698 20 30 EFEDRM C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602710152 1096354705 /nfs/dbraw/zinc/35/47/05/1096354705.db2.gz BVBNKRGNLQYXHP-MRXNPFEDSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001602705073 1096354963 /nfs/dbraw/zinc/35/49/63/1096354963.db2.gz FCUKZXANQLTREK-LSDHHAIUSA-N -1 0 334.803 2.563 20 30 EFEDRM C#CCCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001602705288 1096355151 /nfs/dbraw/zinc/35/51/51/1096355151.db2.gz MSYXQDVQSDNXRG-UHFFFAOYSA-N -1 0 328.412 2.762 20 30 EFEDRM C#CCCC[C@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602705905 1096355620 /nfs/dbraw/zinc/35/56/20/1096355620.db2.gz HHTXVHUCHLXKSE-KBPBESRZSA-N -1 0 326.400 2.781 20 30 EFEDRM C#CCCC[C@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602705906 1096355732 /nfs/dbraw/zinc/35/57/32/1096355732.db2.gz HHTXVHUCHLXKSE-KGLIPLIRSA-N -1 0 326.400 2.781 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CC1 ZINC001602715308 1096356158 /nfs/dbraw/zinc/35/61/58/1096356158.db2.gz BTCRXSDZWOUTRZ-NSHDSACASA-N -1 0 346.452 2.607 20 30 EFEDRM C#CCN(CC(=O)Nc1cccc(C(=O)[O-])c1C)C(=O)OC(C)(C)C ZINC001602715757 1096356622 /nfs/dbraw/zinc/35/66/22/1096356622.db2.gz QHYCRTJESWNVOM-UHFFFAOYSA-N -1 0 346.383 2.502 20 30 EFEDRM C#CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC001602715487 1096356669 /nfs/dbraw/zinc/35/66/69/1096356669.db2.gz JCBJLCYQCKNQRX-UHFFFAOYSA-N -1 0 340.354 2.598 20 30 EFEDRM C#CCN(CC(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001602715352 1096356865 /nfs/dbraw/zinc/35/68/65/1096356865.db2.gz DSDDURWGNFWIGQ-IBGZPJMESA-N -1 0 348.402 2.946 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001602730405 1096357076 /nfs/dbraw/zinc/35/70/76/1096357076.db2.gz GXIRDRUNVMRCEK-UHFFFAOYSA-N -1 0 346.314 2.759 20 30 EFEDRM C#CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@@H]1CCc2ccccc21 ZINC001602719516 1096357280 /nfs/dbraw/zinc/35/72/80/1096357280.db2.gz OJRHNZHBMUNZOU-GOSISDBHSA-N -1 0 336.391 2.827 20 30 EFEDRM C#CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccc(F)cc1 ZINC001602719923 1096357369 /nfs/dbraw/zinc/35/73/69/1096357369.db2.gz YGPILHJRQPNATG-UHFFFAOYSA-N -1 0 342.370 2.787 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001602730617 1096357383 /nfs/dbraw/zinc/35/73/83/1096357383.db2.gz VVEVKZQJZXHDFO-UHFFFAOYSA-N -1 0 331.299 2.619 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001602734148 1096357678 /nfs/dbraw/zinc/35/76/78/1096357678.db2.gz MGMGBYWGPUHCBP-YVMONPNESA-N -1 0 329.283 2.781 20 30 EFEDRM C#CCSCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602734717 1096358126 /nfs/dbraw/zinc/35/81/26/1096358126.db2.gz YBHTUXTXLQZRFL-ZDUSSCGKSA-N -1 0 346.235 2.944 20 30 EFEDRM C#CCn1ccc(CN(CC)[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC001602737951 1096358158 /nfs/dbraw/zinc/35/81/58/1096358158.db2.gz BIQRLVYXNBEBKS-INIZCTEOSA-N -1 0 331.803 2.818 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001602734699 1096358262 /nfs/dbraw/zinc/35/82/62/1096358262.db2.gz XFSLPYLNBHEIRS-HNNXBMFYSA-N -1 0 338.363 2.689 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001602734120 1096358744 /nfs/dbraw/zinc/35/87/44/1096358744.db2.gz LCSMBBVIWWMJTF-QAPCUYQASA-N -1 0 328.368 2.560 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001602743298 1096359213 /nfs/dbraw/zinc/35/92/13/1096359213.db2.gz MAZJTIJFPUFCAL-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC001602739373 1096359558 /nfs/dbraw/zinc/35/95/58/1096359558.db2.gz FRIMQZUCJLFWJP-HXUWFJFHSA-N -1 0 337.375 2.796 20 30 EFEDRM C#Cc1ccccc1CC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001602743903 1096359680 /nfs/dbraw/zinc/35/96/80/1096359680.db2.gz YKITVKSUKJAYKC-UHFFFAOYSA-N -1 0 326.373 2.993 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001602744487 1096360135 /nfs/dbraw/zinc/36/01/35/1096360135.db2.gz AIPJKENACDIMSY-GOSISDBHSA-N -1 0 330.343 2.772 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001602738834 1096360370 /nfs/dbraw/zinc/36/03/70/1096360370.db2.gz NYJCGTUFELCPOH-OAQYLSRUSA-N -1 0 348.402 2.606 20 30 EFEDRM C=C(C)[C@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1ccc(F)c(F)c1 ZINC001602746673 1096361174 /nfs/dbraw/zinc/36/11/74/1096361174.db2.gz FIGOQXSFIFHCHB-DRABBMOASA-N -1 0 336.338 2.554 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)OCC ZINC001602747457 1096361243 /nfs/dbraw/zinc/36/12/43/1096361243.db2.gz SCDAVCPZHWSTTF-AWEZNQCLSA-N -1 0 349.383 2.856 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)no1)C(=O)[O-] ZINC001602748993 1096361414 /nfs/dbraw/zinc/36/14/14/1096361414.db2.gz MLWXFSULLJAFPQ-GFCCVEGCSA-N -1 0 336.294 2.769 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCOc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602750421 1096362611 /nfs/dbraw/zinc/36/26/11/1096362611.db2.gz RSEFLMZOSUVSRF-QGZVFWFLSA-N -1 0 331.412 2.870 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC001602754753 1096363174 /nfs/dbraw/zinc/36/31/74/1096363174.db2.gz UEFSXNBMOSVFNH-LLVKDONJSA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001602749469 1096363683 /nfs/dbraw/zinc/36/36/83/1096363683.db2.gz FXXKRJMEMVANDC-ZDUSSCGKSA-N -1 0 342.436 2.607 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)[O-] ZINC001602754321 1096363692 /nfs/dbraw/zinc/36/36/92/1096363692.db2.gz DZTKAIVIHOLVMW-CYBMUJFWSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)C(=O)[O-] ZINC001602755096 1096364388 /nfs/dbraw/zinc/36/43/88/1096364388.db2.gz HDQQVRBQDYWZCL-CQSZACIVSA-N -1 0 343.383 2.543 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1sc(N2CCCC2)nc1Cl)C(=O)[O-] ZINC001602755249 1096364457 /nfs/dbraw/zinc/36/44/57/1096364457.db2.gz MDGJRMJGKYGGEO-SECBINFHSA-N -1 0 343.836 2.546 20 30 EFEDRM C=C(C)C[C@@H]1NC(=O)N([C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602757744 1096364954 /nfs/dbraw/zinc/36/49/54/1096364954.db2.gz VQCUHNZUDPNRJZ-KBPBESRZSA-N -1 0 330.384 2.725 20 30 EFEDRM C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602766289 1096365804 /nfs/dbraw/zinc/36/58/04/1096365804.db2.gz XZFGHQGZVKLSMY-KRWDZBQOSA-N -1 0 329.404 2.540 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC001602762217 1096366299 /nfs/dbraw/zinc/36/62/99/1096366299.db2.gz YQXACMAVHQOZJT-UHFFFAOYSA-N -1 0 347.367 2.519 20 30 EFEDRM C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602765586 1096366452 /nfs/dbraw/zinc/36/64/52/1096366452.db2.gz DPFSZSMDPASINW-LBPRGKRZSA-N -1 0 347.444 2.505 20 30 EFEDRM C=C(C)CN(CC)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602762061 1096366750 /nfs/dbraw/zinc/36/67/50/1096366750.db2.gz PVJZNUGENHKGND-MFOWVQHXSA-N -1 0 326.462 2.723 20 30 EFEDRM C=C(C)CN(CC)C(=O)COc1c(C(=O)[O-])cncc1C(F)(F)F ZINC001602761874 1096366759 /nfs/dbraw/zinc/36/67/59/1096366759.db2.gz ILHSZTATLBAJLR-UHFFFAOYSA-N -1 0 346.305 2.602 20 30 EFEDRM C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001602768428 1096367058 /nfs/dbraw/zinc/36/70/58/1096367058.db2.gz HQHYPWUIELKMRB-QGZVFWFLSA-N -1 0 336.411 2.590 20 30 EFEDRM C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602769253 1096367067 /nfs/dbraw/zinc/36/70/67/1096367067.db2.gz WCUBGIHOKFYNHD-SUMWQHHRSA-N -1 0 336.436 2.643 20 30 EFEDRM C=C(C)Cn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccncc1 ZINC001602771292 1096367472 /nfs/dbraw/zinc/36/74/72/1096367472.db2.gz RJRQRFMACDUAFJ-UHFFFAOYSA-N -1 0 330.413 2.873 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602768697 1096368135 /nfs/dbraw/zinc/36/81/35/1096368135.db2.gz LBMMOFFXVSUMHV-GOSISDBHSA-N -1 0 345.447 2.638 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001602777930 1096369413 /nfs/dbraw/zinc/36/94/13/1096369413.db2.gz JAPORRPULWATQN-CYBMUJFWSA-N -1 0 326.274 2.699 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC001602778159 1096369420 /nfs/dbraw/zinc/36/94/20/1096369420.db2.gz LIWKOPMVPXDPPQ-LLVKDONJSA-N -1 0 347.346 2.782 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC001602778160 1096369437 /nfs/dbraw/zinc/36/94/37/1096369437.db2.gz LIWKOPMVPXDPPQ-NSHDSACASA-N -1 0 347.346 2.782 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001602787787 1096370513 /nfs/dbraw/zinc/37/05/13/1096370513.db2.gz RZIFKHRIUFBYJG-UHFFFAOYSA-N -1 0 337.397 2.701 20 30 EFEDRM C=C(Cl)C[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)C(=O)OCC ZINC001602788480 1096370620 /nfs/dbraw/zinc/37/06/20/1096370620.db2.gz KAOFZHNBZNTARA-BDAKNGLRSA-N -1 0 332.809 2.566 20 30 EFEDRM C=C(Cl)C[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)C(=O)OCC ZINC001602788526 1096370681 /nfs/dbraw/zinc/37/06/81/1096370681.db2.gz KAOFZHNBZNTARA-RKDXNWHRSA-N -1 0 332.809 2.566 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NOCc1ccc(F)cc1Br ZINC001602784567 1096370861 /nfs/dbraw/zinc/37/08/61/1096370861.db2.gz VRWZQBHKSUQSPF-UHFFFAOYSA-N -1 0 346.152 2.557 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(Br)c1COC ZINC001602785695 1096371097 /nfs/dbraw/zinc/37/10/97/1096371097.db2.gz FXOYAJMKJDNJKH-UHFFFAOYSA-N -1 0 342.189 2.955 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 ZINC001602785968 1096371181 /nfs/dbraw/zinc/37/11/81/1096371181.db2.gz SPQYVGXYEKCYMS-UHFFFAOYSA-N -1 0 327.340 2.937 20 30 EFEDRM C=C1CCC(CNC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC001602792276 1096371589 /nfs/dbraw/zinc/37/15/89/1096371589.db2.gz UEXOGHYWSFGPDU-CQSZACIVSA-N -1 0 334.338 2.781 20 30 EFEDRM C=C(Cl)C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)OCC ZINC001602788711 1096372407 /nfs/dbraw/zinc/37/24/07/1096372407.db2.gz MUGDGUJXZJSEAK-GFCCVEGCSA-N -1 0 345.823 2.602 20 30 EFEDRM C=CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001602807397 1096373012 /nfs/dbraw/zinc/37/30/12/1096373012.db2.gz JFMIOGWBYPJGGM-UHFFFAOYSA-N -1 0 334.372 2.895 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001602807254 1096373839 /nfs/dbraw/zinc/37/38/39/1096373839.db2.gz FXAUYJYRQCESPB-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001602807475 1096373934 /nfs/dbraw/zinc/37/39/34/1096373934.db2.gz MCYZOWJDHKQSIO-UHFFFAOYSA-N -1 0 332.400 2.740 20 30 EFEDRM C=C[C@H](N[C@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602817060 1096375194 /nfs/dbraw/zinc/37/51/94/1096375194.db2.gz UTSJKSDDIMDQEE-DLBZAZTESA-N -1 0 327.380 2.543 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001602809523 1096376354 /nfs/dbraw/zinc/37/63/54/1096376354.db2.gz ILWMPIJPSCAPDE-OAHLLOKOSA-N -1 0 326.418 2.718 20 30 EFEDRM C=C[C@H](OC(=O)c1ccccc1CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001602826620 1096376838 /nfs/dbraw/zinc/37/68/38/1096376838.db2.gz FGMRSZVSYPCUIF-ZDUSSCGKSA-N -1 0 335.356 2.507 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC001602827901 1096377504 /nfs/dbraw/zinc/37/75/04/1096377504.db2.gz UCCIRSFCHQQMDJ-CYBMUJFWSA-N -1 0 334.372 2.711 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602836295 1096380921 /nfs/dbraw/zinc/38/09/21/1096380921.db2.gz LJVFMOILWXCBGC-UHFFFAOYSA-N -1 0 348.424 2.814 20 30 EFEDRM C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC ZINC001602837336 1096381514 /nfs/dbraw/zinc/38/15/14/1096381514.db2.gz NATNNYSHGQVAAL-ZDUSSCGKSA-N -1 0 336.388 2.886 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(OC)c(Br)c1)C(=O)[O-] ZINC001602850406 1096383732 /nfs/dbraw/zinc/38/37/32/1096383732.db2.gz UUFBYUXGVNZQBH-LLVKDONJSA-N -1 0 329.146 2.644 20 30 EFEDRM C=CCC1(CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001602851733 1096383850 /nfs/dbraw/zinc/38/38/50/1096383850.db2.gz XQVDYUYIGNQEGZ-UHFFFAOYSA-N -1 0 337.441 2.941 20 30 EFEDRM C=CC[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001602848574 1096384302 /nfs/dbraw/zinc/38/43/02/1096384302.db2.gz DIUHLXBEIXOFGK-XQQFMLRXSA-N -1 0 341.404 2.642 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)C(=O)[O-] ZINC001602849983 1096384320 /nfs/dbraw/zinc/38/43/20/1096384320.db2.gz SFPXMUWGJQNKEX-GFCCVEGCSA-N -1 0 340.763 2.620 20 30 EFEDRM C=CCC1(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)CCOCC1 ZINC001602849344 1096384382 /nfs/dbraw/zinc/38/43/82/1096384382.db2.gz IZQCZFSUZYCOFC-UHFFFAOYSA-N -1 0 333.384 2.729 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(Br)cnc1Cl)C(=O)[O-] ZINC001602848797 1096384408 /nfs/dbraw/zinc/38/44/08/1096384408.db2.gz FREPLDUTKLEODY-QMMMGPOBSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001602855386 1096385428 /nfs/dbraw/zinc/38/54/28/1096385428.db2.gz OUUXHDPLMGTBAR-PWSUYJOCSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CCC[C@H](C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001602855983 1096385532 /nfs/dbraw/zinc/38/55/32/1096385532.db2.gz LSIZTAAQBICJIN-HIFRSBDPSA-N -1 0 343.383 2.717 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001602856004 1096385569 /nfs/dbraw/zinc/38/55/69/1096385569.db2.gz NEQFZABIEJVQPH-LBPRGKRZSA-N -1 0 334.420 2.708 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602855687 1096386245 /nfs/dbraw/zinc/38/62/45/1096386245.db2.gz XIPHEYWSFVJNBD-RYUDHWBXSA-N -1 0 332.404 2.784 20 30 EFEDRM C=CCCC[C@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)c1ccccc1 ZINC001602860490 1096387080 /nfs/dbraw/zinc/38/70/80/1096387080.db2.gz GFOXBFWJEJZVTH-ZDUSSCGKSA-N -1 0 328.372 2.510 20 30 EFEDRM C=CCCC(C)(C)NC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001602856778 1096387085 /nfs/dbraw/zinc/38/70/85/1096387085.db2.gz IFTHMTPPUKZGTJ-UHFFFAOYSA-N -1 0 334.416 2.980 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602860763 1096387209 /nfs/dbraw/zinc/38/72/09/1096387209.db2.gz PCSYADWXZGBOPM-NWPKHEMWSA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602865468 1096389390 /nfs/dbraw/zinc/38/93/90/1096389390.db2.gz KMUXDXUUHGENMB-ZNMIVQPWSA-N -1 0 332.356 2.624 20 30 EFEDRM C=CCCCCCNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001602869287 1096389601 /nfs/dbraw/zinc/38/96/01/1096389601.db2.gz BYWWPXRYBVARHR-UHFFFAOYSA-N -1 0 343.383 2.667 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)c2ccccc2oc1=O)C(=O)[O-] ZINC001602865595 1096389726 /nfs/dbraw/zinc/38/97/26/1096389726.db2.gz MTCUMRNUSRQRQG-ZDUSSCGKSA-N -1 0 329.352 2.641 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001602870674 1096390181 /nfs/dbraw/zinc/39/01/81/1096390181.db2.gz PMKWSPFJLWAVNK-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC001602870985 1096390372 /nfs/dbraw/zinc/39/03/72/1096390372.db2.gz IVFWJTFXRJYBMG-AWEZNQCLSA-N -1 0 327.384 2.924 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)OC)cc1C)C(=O)[O-] ZINC001602872547 1096390625 /nfs/dbraw/zinc/39/06/25/1096390625.db2.gz VAVVGKIUBWMNAJ-AWEZNQCLSA-N -1 0 334.372 2.713 20 30 EFEDRM C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602874875 1096390504 /nfs/dbraw/zinc/39/05/04/1096390504.db2.gz GZADQFTXEOSCEG-CQSZACIVSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1)C(=O)[O-] ZINC001602869611 1096390525 /nfs/dbraw/zinc/39/05/25/1096390525.db2.gz CZIYZNLOCJCRSH-ZDUSSCGKSA-N -1 0 343.383 2.616 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1nc(Br)ccc1C)C(=O)[O-] ZINC001602873546 1096390735 /nfs/dbraw/zinc/39/07/35/1096390735.db2.gz XKTUWKVXJPQNNT-SNVBAGLBSA-N -1 0 341.205 2.692 20 30 EFEDRM C=CCCOCCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001602881272 1096391850 /nfs/dbraw/zinc/39/18/50/1096391850.db2.gz YJYVDNPQFFBXGA-UHFFFAOYSA-N -1 0 346.383 2.565 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001602880166 1096392278 /nfs/dbraw/zinc/39/22/78/1096392278.db2.gz FBAVRNWPMGFAAG-UHFFFAOYSA-N -1 0 326.352 2.930 20 30 EFEDRM C=CCCSCCNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001602880773 1096392382 /nfs/dbraw/zinc/39/23/82/1096392382.db2.gz CEXOYOJZPCVTTB-UHFFFAOYSA-N -1 0 326.418 2.737 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001602893594 1096392743 /nfs/dbraw/zinc/39/27/43/1096392743.db2.gz GUIYJLYUIPSGEU-UHFFFAOYSA-N -1 0 338.363 2.538 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001602894262 1096393526 /nfs/dbraw/zinc/39/35/26/1096393526.db2.gz ZUXDBTOGGBPXHD-UHFFFAOYSA-N -1 0 329.356 2.944 20 30 EFEDRM C=CCN1C(=O)C(=NNc2cccc(F)c2C(=O)[O-])c2ccccc21 ZINC001602894725 1096393706 /nfs/dbraw/zinc/39/37/06/1096393706.db2.gz VPVJOAUZOBZHSA-UHFFFAOYSA-N -1 0 339.326 2.873 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001602902186 1096396196 /nfs/dbraw/zinc/39/61/96/1096396196.db2.gz RBMPAEGMCWUHLP-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@@H](C)CCCCC(=O)[O-] ZINC001602908272 1096397673 /nfs/dbraw/zinc/39/76/73/1096397673.db2.gz RHWVVYHUACKCJR-NSHDSACASA-N -1 0 330.392 2.936 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)s1 ZINC001602906474 1096397720 /nfs/dbraw/zinc/39/77/20/1096397720.db2.gz HCDWTTHZYQEARL-UHFFFAOYSA-N -1 0 332.385 2.703 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(O)cc2)o1 ZINC001602912797 1096398753 /nfs/dbraw/zinc/39/87/53/1096398753.db2.gz XIGLNBZPDPMHOS-UHFFFAOYSA-N -1 0 327.348 2.520 20 30 EFEDRM C=CCONC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001602920568 1096399001 /nfs/dbraw/zinc/39/90/01/1096399001.db2.gz KQIUDVJGJQRQRZ-UHFFFAOYSA-N -1 0 329.150 2.695 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001602913492 1096399651 /nfs/dbraw/zinc/39/96/51/1096399651.db2.gz SEJQEWSGDOPVFD-QGZVFWFLSA-N -1 0 341.363 2.865 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2O)o1 ZINC001602911506 1096399875 /nfs/dbraw/zinc/39/98/75/1096399875.db2.gz FSOSMWHFSZMMNT-UHFFFAOYSA-N -1 0 327.348 2.520 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001602921946 1096401100 /nfs/dbraw/zinc/40/11/00/1096401100.db2.gz XMUIHBLLPLBDEZ-LSDHHAIUSA-N -1 0 340.397 2.603 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001602924703 1096401410 /nfs/dbraw/zinc/40/14/10/1096401410.db2.gz BPEDQWZWSSJFEP-UHFFFAOYSA-N -1 0 338.363 2.543 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cn1nc(C)cc1C ZINC001602926192 1096401444 /nfs/dbraw/zinc/40/14/44/1096401444.db2.gz VAWZBMGBCPFUOE-UHFFFAOYSA-N -1 0 344.367 2.541 20 30 EFEDRM C=CCOc1ccc(COC(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC001602921622 1096401493 /nfs/dbraw/zinc/40/14/93/1096401493.db2.gz GNLRPFOYIZWUNU-UHFFFAOYSA-N -1 0 344.367 2.670 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001602922150 1096401498 /nfs/dbraw/zinc/40/14/98/1096401498.db2.gz QETSPMHFVGPNGX-MRXNPFEDSA-N -1 0 331.393 2.798 20 30 EFEDRM C=CCn1c([C@@H]2C[C@@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602931734 1096402234 /nfs/dbraw/zinc/40/22/34/1096402234.db2.gz AJLWEYNPYWLCCH-VBHSOAQHSA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602931578 1096402734 /nfs/dbraw/zinc/40/27/34/1096402734.db2.gz ZANYYORCRDLRTE-HZPDHXFCSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCn1c(-c2ccsc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001602929826 1096402889 /nfs/dbraw/zinc/40/28/89/1096402889.db2.gz FRHKWLNAJKKUDZ-INIZCTEOSA-N -1 0 332.429 2.884 20 30 EFEDRM C=CCn1c(-c2ccsc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602929827 1096402931 /nfs/dbraw/zinc/40/29/31/1096402931.db2.gz FRHKWLNAJKKUDZ-MRXNPFEDSA-N -1 0 332.429 2.884 20 30 EFEDRM C/C(=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001602951161 1096404779 /nfs/dbraw/zinc/40/47/79/1096404779.db2.gz GNKCUWVXSHSNQR-XFXZXTDPSA-N -1 0 332.787 2.960 20 30 EFEDRM CC#CCCCC(=O)O[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602947157 1096405412 /nfs/dbraw/zinc/40/54/12/1096405412.db2.gz OUMPAMLVHPVEEW-NSHDSACASA-N -1 0 337.397 2.819 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)CC(C)(C)C#N)cc1C(=O)[O-] ZINC001603061507 1096428076 /nfs/dbraw/zinc/42/80/76/1096428076.db2.gz IMWMMHNDWLFZFG-UHFFFAOYSA-N -1 0 337.763 2.875 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC001603102618 1096442356 /nfs/dbraw/zinc/44/23/56/1096442356.db2.gz YZTVOSYSTBGHGG-UHFFFAOYSA-N -1 0 331.715 2.693 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCCSC2)o1 ZINC001603122689 1096451540 /nfs/dbraw/zinc/45/15/40/1096451540.db2.gz SNBUASUXSGIRLJ-SECBINFHSA-N -1 0 335.437 2.693 20 30 EFEDRM C[C@](C#N)(NC(=O)CNc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001603126252 1096453440 /nfs/dbraw/zinc/45/34/40/1096453440.db2.gz JDFYZXAPINVYAX-LJQANCHMSA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@@](C#N)(NC(=O)CNc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001603126251 1096453534 /nfs/dbraw/zinc/45/35/34/1096453534.db2.gz JDFYZXAPINVYAX-IBGZPJMESA-N -1 0 337.379 2.758 20 30 EFEDRM C[C@@H](C#N)OCCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001603131536 1096454610 /nfs/dbraw/zinc/45/46/10/1096454610.db2.gz GCAQTOUBSZEZNS-VIFPVBQESA-N -1 0 332.278 2.666 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001603132345 1096455025 /nfs/dbraw/zinc/45/50/25/1096455025.db2.gz XOGCHOAPHZMMNJ-ARUSPNSKSA-N -1 0 343.383 2.598 20 30 EFEDRM C[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001603137757 1096456998 /nfs/dbraw/zinc/45/69/98/1096456998.db2.gz AURHZXVXHCUYJN-JTQLQIEISA-N -1 0 328.290 2.636 20 30 EFEDRM C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC001603141271 1096458631 /nfs/dbraw/zinc/45/86/31/1096458631.db2.gz ZTGVABKOOKQVGZ-GFCCVEGCSA-N -1 0 326.352 2.753 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001603188498 1096469211 /nfs/dbraw/zinc/46/92/11/1096469211.db2.gz ZMAHNZKPEVFSBI-BDJLRTHQSA-N -1 0 326.327 2.889 20 30 EFEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2nc(C#N)cs2)cc1 ZINC001603213504 1096475699 /nfs/dbraw/zinc/47/56/99/1096475699.db2.gz QFMMZUJPQYXBRN-VIFPVBQESA-N -1 0 330.369 2.525 20 30 EFEDRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(C#N)cc1 ZINC001603234884 1096480877 /nfs/dbraw/zinc/48/08/77/1096480877.db2.gz DZRWDTWBZFJYDT-UHFFFAOYSA-N -1 0 328.412 2.987 20 30 EFEDRM CC(C)(C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001603238026 1096481233 /nfs/dbraw/zinc/48/12/33/1096481233.db2.gz LFXDIHKRNUYANH-UHFFFAOYSA-N -1 0 336.391 2.893 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccccc1C(=O)[O-] ZINC001603366826 1096514669 /nfs/dbraw/zinc/51/46/69/1096514669.db2.gz SQQSLUJMNLZDSO-SFHVURJKSA-N -1 0 347.367 2.690 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)o2)n1 ZINC001603406445 1096522353 /nfs/dbraw/zinc/52/23/53/1096522353.db2.gz KTLHIQGJZKULBA-QMMMGPOBSA-N -1 0 328.357 2.530 20 30 EFEDRM CC(C)(C)OCc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)no1 ZINC001603513560 1096542713 /nfs/dbraw/zinc/54/27/13/1096542713.db2.gz ROLIBNBZINFGMF-INIZCTEOSA-N -1 0 343.383 2.777 20 30 EFEDRM CC(C)(C)Oc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001603518613 1096542723 /nfs/dbraw/zinc/54/27/23/1096542723.db2.gz DTUYVWAFNDKPAN-UHFFFAOYSA-N -1 0 330.384 2.694 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1 ZINC001603534075 1096545356 /nfs/dbraw/zinc/54/53/56/1096545356.db2.gz HWYMWEXAWKHQJL-UHFFFAOYSA-N -1 0 338.363 2.599 20 30 EFEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1=CCCC1 ZINC001603646038 1096575842 /nfs/dbraw/zinc/57/58/42/1096575842.db2.gz ZFNRDFQEVSNRQY-UHFFFAOYSA-N -1 0 348.424 2.671 20 30 EFEDRM C[C@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001603709936 1096597387 /nfs/dbraw/zinc/59/73/87/1096597387.db2.gz ICGVILSLAQGDKU-JTQLQIEISA-N -1 0 342.790 2.918 20 30 EFEDRM C[C@@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001603709940 1096597453 /nfs/dbraw/zinc/59/74/53/1096597453.db2.gz ICGVILSLAQGDKU-SNVBAGLBSA-N -1 0 342.790 2.918 20 30 EFEDRM CC(C)[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001603732499 1096607631 /nfs/dbraw/zinc/60/76/31/1096607631.db2.gz UUQNJFFINCUZJZ-HNNXBMFYSA-N -1 0 329.400 2.784 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccoc1C(=O)[O-] ZINC001603743304 1096610759 /nfs/dbraw/zinc/61/07/59/1096610759.db2.gz ICQAPVCNHLZNJH-OAHLLOKOSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-] ZINC001603769494 1096621485 /nfs/dbraw/zinc/62/14/85/1096621485.db2.gz BPJPEJYIZSDMHU-ZDUSSCGKSA-N -1 0 334.391 2.838 20 30 EFEDRM CC(C)CN(C(=O)CSc1ccc(C#N)cc1)C(C)(C)C(=O)[O-] ZINC001603800246 1096631765 /nfs/dbraw/zinc/63/17/65/1096631765.db2.gz XGHJOXAZUQGBJS-UHFFFAOYSA-N -1 0 334.441 2.998 20 30 EFEDRM CC(C)Oc1c(NCC(=O)N[C@@](C)(C#N)C(C)C)cccc1C(=O)[O-] ZINC001603933856 1096672129 /nfs/dbraw/zinc/67/21/29/1096672129.db2.gz PDAMHHOUAZZVRA-SFHVURJKSA-N -1 0 347.415 2.638 20 30 EFEDRM CC(C)Oc1cccc([C@@H](O)CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001603950957 1096680377 /nfs/dbraw/zinc/68/03/77/1096680377.db2.gz IVZUFGUGDFUCLS-KRWDZBQOSA-N -1 0 341.367 2.584 20 30 EFEDRM CC(C)c1csc(C(C#N)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001604012669 1096697567 /nfs/dbraw/zinc/69/75/67/1096697567.db2.gz PNFIOEULKYTATL-TUAOUCFPSA-N -1 0 336.413 2.713 20 30 EFEDRM CC(C)n1cc2c(n1)[C@H](Nc1ccc(C(=O)[O-])nc1C#N)CCC2 ZINC001604037332 1096707195 /nfs/dbraw/zinc/70/71/95/1096707195.db2.gz SNPZSNXJLJMGSI-CYBMUJFWSA-N -1 0 325.372 2.918 20 30 EFEDRM C[C@@H](CC#N)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001604059786 1096715145 /nfs/dbraw/zinc/71/51/45/1096715145.db2.gz JABWRFCUDCSDIW-JTQLQIEISA-N -1 0 329.381 2.920 20 30 EFEDRM C[C@H](CC#N)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001604059787 1096715686 /nfs/dbraw/zinc/71/56/86/1096715686.db2.gz JABWRFCUDCSDIW-SNVBAGLBSA-N -1 0 329.381 2.920 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001604106438 1096739635 /nfs/dbraw/zinc/73/96/35/1096739635.db2.gz YMNASNPVNXTTRX-CABZTGNLSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001604106437 1096739716 /nfs/dbraw/zinc/73/97/16/1096739716.db2.gz YMNASNPVNXTTRX-BXKDBHETSA-N -1 0 339.189 2.631 20 30 EFEDRM CCCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)c1cccnc1 ZINC001604118996 1096742380 /nfs/dbraw/zinc/74/23/80/1096742380.db2.gz DCKNRBSHDKZRPP-UHFFFAOYSA-N -1 0 340.391 2.989 20 30 EFEDRM C[C@H](C[C@H](C)Nc1ccc(C(=O)[O-])nc1C#N)NC(=O)OC(C)(C)C ZINC001604124988 1096745357 /nfs/dbraw/zinc/74/53/57/1096745357.db2.gz HRAKATDTUUUAKO-WDEREUQCSA-N -1 0 348.403 2.755 20 30 EFEDRM C[C@H](CCC#N)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001604130889 1096746041 /nfs/dbraw/zinc/74/60/41/1096746041.db2.gz WPSAGUFVPTXYEI-FZKQIMNGSA-N -1 0 345.447 2.786 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001604217866 1096775666 /nfs/dbraw/zinc/77/56/66/1096775666.db2.gz RHWFNHGPLJVWBE-PBHICJAKSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001604217755 1096776111 /nfs/dbraw/zinc/77/61/11/1096776111.db2.gz NZWRGIPQEJMYPR-AWEZNQCLSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@@](NC(=O)[C@@H](C#N)CCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001604263379 1096788683 /nfs/dbraw/zinc/78/86/83/1096788683.db2.gz TVBHBCLYVCQLHN-UZLBHIALSA-N -1 0 336.391 2.875 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001604265416 1096790590 /nfs/dbraw/zinc/79/05/90/1096790590.db2.gz PLKMFTQDSBFOGE-QKMWGZLOSA-N -1 0 334.375 2.994 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001604300866 1096800139 /nfs/dbraw/zinc/80/01/39/1096800139.db2.gz LHIDCLDUYZQVCR-LBPRGKRZSA-N -1 0 339.351 2.904 20 30 EFEDRM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1nc(C(C)(C)C)no1 ZINC001604346488 1096822158 /nfs/dbraw/zinc/82/21/58/1096822158.db2.gz ICSNZRHGZFSXJS-SNVBAGLBSA-N -1 0 328.372 2.788 20 30 EFEDRM C[C@H](ON=C(N)c1ccc(C(F)(F)F)s1)c1nc(C(=O)[O-])co1 ZINC001604425557 1096848806 /nfs/dbraw/zinc/84/88/06/1096848806.db2.gz NZRAJLRATUMPDV-YFKPBYRVSA-N -1 0 349.290 2.851 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001604426926 1096850267 /nfs/dbraw/zinc/85/02/67/1096850267.db2.gz KLWRZAKKZVWXSG-YGRLFVJLSA-N -1 0 331.349 2.756 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001604428550 1096850806 /nfs/dbraw/zinc/85/08/06/1096850806.db2.gz YTPIWHLEIJTUID-NSHDSACASA-N -1 0 342.326 2.730 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1F)C(=O)[O-] ZINC001604438252 1096853768 /nfs/dbraw/zinc/85/37/68/1096853768.db2.gz JMMMACIFPBAWJA-SECBINFHSA-N -1 0 346.289 2.941 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001604477607 1096874001 /nfs/dbraw/zinc/87/40/01/1096874001.db2.gz GSYXAONRLURTKC-SNVBAGLBSA-N -1 0 329.381 2.537 20 30 EFEDRM C[C@]1(C#N)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC001604484183 1096878560 /nfs/dbraw/zinc/87/85/60/1096878560.db2.gz CFELIVSKWVXATP-JSGCOSHPSA-N -1 0 329.183 2.734 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001604493462 1096879894 /nfs/dbraw/zinc/87/98/94/1096879894.db2.gz SNXBPCNGIWCMFF-SFHVURJKSA-N -1 0 332.375 2.688 20 30 EFEDRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC[C@H]1C(=O)[O-] ZINC001604590631 1096910845 /nfs/dbraw/zinc/91/08/45/1096910845.db2.gz DUQCLLGUDDUQHP-RCJHGTSTSA-N -1 0 326.396 2.811 20 30 EFEDRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001604689293 1096931622 /nfs/dbraw/zinc/93/16/22/1096931622.db2.gz XFQORJTWJVNAGC-GXTWGEPZSA-N -1 0 330.384 2.553 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)c2ccc(C#N)cn2)(C(=O)[O-])c2ccccc21 ZINC001604703289 1096935162 /nfs/dbraw/zinc/93/51/62/1096935162.db2.gz HXXXWCPEOBIIGZ-BUXKBTBVSA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@@H]1CCCc2ncc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)n21 ZINC001604740296 1096945034 /nfs/dbraw/zinc/94/50/34/1096945034.db2.gz ONUJMOAOZUEGLX-BDJLRTHQSA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@H]1CCc2c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)csc2C1 ZINC001604758382 1096949300 /nfs/dbraw/zinc/94/93/00/1096949300.db2.gz GQYSIJOERCDCDU-NSHDSACASA-N -1 0 332.425 2.703 20 30 EFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCc2ccc(F)cc21 ZINC001604812238 1096964046 /nfs/dbraw/zinc/96/40/46/1096964046.db2.gz UJGDFZJBLATMTJ-NSHDSACASA-N -1 0 325.343 2.957 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001604887751 1096974547 /nfs/dbraw/zinc/97/45/47/1096974547.db2.gz IKXLTMHXABEQOV-KRWDZBQOSA-N -1 0 334.372 2.565 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001604986243 1096994179 /nfs/dbraw/zinc/99/41/79/1096994179.db2.gz HLOHXYPAHAVIPA-UHFFFAOYSA-N -1 0 343.379 2.859 20 30 EFEDRM COC(=O)c1csc(C(C)=NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC001604990680 1096994817 /nfs/dbraw/zinc/99/48/17/1096994817.db2.gz YFDROXVMLIBJEH-UHFFFAOYSA-N -1 0 342.384 2.551 20 30 EFEDRM CC[C@@](CNC(=O)c1cc(C#N)cs1)(C(=O)[O-])c1ccccc1 ZINC001605035838 1097007506 /nfs/dbraw/zinc/00/75/06/1097007506.db2.gz UEJXXPXLMQMKMI-KRWDZBQOSA-N -1 0 328.393 2.782 20 30 EFEDRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605060914 1097012397 /nfs/dbraw/zinc/01/23/97/1097012397.db2.gz BLRGRFBNCGPYIH-OAHLLOKOSA-N -1 0 328.412 2.781 20 30 EFEDRM CC[C@@H]1C[C@H](CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001605154479 1097035480 /nfs/dbraw/zinc/03/54/80/1097035480.db2.gz KANBYRGFTCTFGT-NVXWUHKLSA-N -1 0 330.380 2.875 20 30 EFEDRM CC[C@H]1C[C@H](CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001605154481 1097035584 /nfs/dbraw/zinc/03/55/84/1097035584.db2.gz KANBYRGFTCTFGT-WBVHZDCISA-N -1 0 330.380 2.875 20 30 EFEDRM CCC[C@@H]1C[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001605225855 1097060175 /nfs/dbraw/zinc/06/01/75/1097060175.db2.gz WLWRJQFZKVEYEH-OAGGEKHMSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCC[C@H](CCC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605237382 1097064813 /nfs/dbraw/zinc/06/48/13/1097064813.db2.gz BZKSPPUBYGZMQU-ZDUSSCGKSA-N -1 0 338.429 2.894 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001605266389 1097074379 /nfs/dbraw/zinc/07/43/79/1097074379.db2.gz GYBRXTPFRYHRAG-UONOGXRCSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCCCCCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605267244 1097075096 /nfs/dbraw/zinc/07/50/96/1097075096.db2.gz UOEYBKQOOSAZNB-CQSZACIVSA-N -1 0 336.436 2.890 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cc(C(=O)[O-])co2)C1=O ZINC001605266343 1097075119 /nfs/dbraw/zinc/07/51/19/1097075119.db2.gz GBSVVBZVNWMJQA-QGZVFWFLSA-N -1 0 349.387 2.983 20 30 EFEDRM COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cc1 ZINC001605269873 1097075991 /nfs/dbraw/zinc/07/59/91/1097075991.db2.gz IQHOIENXBCJJEM-UHFFFAOYSA-N -1 0 341.375 2.508 20 30 EFEDRM CCCN(CC)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001605313878 1097092093 /nfs/dbraw/zinc/09/20/93/1097092093.db2.gz PNHVLXYJTOBMMK-UHFFFAOYSA-N -1 0 343.427 2.753 20 30 EFEDRM COc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c1 ZINC001605319987 1097094680 /nfs/dbraw/zinc/09/46/80/1097094680.db2.gz XCAYKNLEZIIZHR-UHFFFAOYSA-N -1 0 341.375 2.607 20 30 EFEDRM CCCc1c(NC(=O)[C@H](CC)C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001605370351 1097107489 /nfs/dbraw/zinc/10/74/89/1097107489.db2.gz HOFXJCVIXWSLGQ-AWEZNQCLSA-N -1 0 340.383 2.746 20 30 EFEDRM CCOC(=O)COc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001605544620 1097156272 /nfs/dbraw/zinc/15/62/72/1097156272.db2.gz LUWXECIHUZUGJD-VMPITWQZSA-N -1 0 344.319 2.816 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)/C=C/c1ccccc1C#N ZINC001605631659 1097174494 /nfs/dbraw/zinc/17/44/94/1097174494.db2.gz YVADZGDVMKOHIX-FEAKQIBJSA-N -1 0 344.411 2.547 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(C#N)c1 ZINC001605637398 1097176675 /nfs/dbraw/zinc/17/66/75/1097176675.db2.gz SXDTVGQNWXTDIH-UHFFFAOYSA-N -1 0 328.368 2.888 20 30 EFEDRM Cc1cc(C)n(N=C[C@@]2(C)C[C@@H]2c2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC001605649289 1097179834 /nfs/dbraw/zinc/17/98/34/1097179834.db2.gz BPVQYYPGBCQORC-DNVCBOLYSA-N -1 0 348.410 2.673 20 30 EFEDRM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nnn[n-]1)cn2CCCCC#N ZINC001605667207 1097187105 /nfs/dbraw/zinc/18/71/05/1097187105.db2.gz JHVDVGQTRZNKBG-UHFFFAOYSA-N -1 0 342.790 2.837 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001605690982 1097196091 /nfs/dbraw/zinc/19/60/91/1097196091.db2.gz PZGGFOKKMQJJRC-UHFFFAOYSA-N -1 0 328.324 2.937 20 30 EFEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001605748475 1097215176 /nfs/dbraw/zinc/21/51/76/1097215176.db2.gz VTUSGOKKLQZEFV-CQSZACIVSA-N -1 0 333.363 2.677 20 30 EFEDRM CCc1[nH]c(C(=O)OCCOc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001605771029 1097220683 /nfs/dbraw/zinc/22/06/83/1097220683.db2.gz NTGSHJQBMCLISI-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC001605807265 1097233547 /nfs/dbraw/zinc/23/35/47/1097233547.db2.gz BJLJGCOEAGICAA-HNNXBMFYSA-N -1 0 326.352 2.806 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc1C#N ZINC001605824452 1097239295 /nfs/dbraw/zinc/23/92/95/1097239295.db2.gz ZNYOTZRRCGCHMW-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CN(C(=O)Nc1ccc(C#N)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001605972750 1097289560 /nfs/dbraw/zinc/28/95/60/1097289560.db2.gz CVADWIWVNWFTIU-UHFFFAOYSA-N -1 0 343.314 2.829 20 30 EFEDRM CN(C(=O)Nc1cccc(CC#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001605973546 1097289859 /nfs/dbraw/zinc/28/98/59/1097289859.db2.gz NRLAHNWSJGWRGO-UHFFFAOYSA-N -1 0 339.351 2.884 20 30 EFEDRM CN(C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@@H]1CCC[C@H]1C#N ZINC001605975271 1097290364 /nfs/dbraw/zinc/29/03/64/1097290364.db2.gz HVULWWZKQXSTOL-GXSJLCMTSA-N -1 0 349.412 2.675 20 30 EFEDRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[C@@H]1C#N ZINC001605977896 1097290627 /nfs/dbraw/zinc/29/06/27/1097290627.db2.gz VXCHQSMZNIIHDX-ABAIWWIYSA-N -1 0 325.368 2.559 20 30 EFEDRM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc(CC(=O)[O-])cs1 ZINC001605981581 1097291747 /nfs/dbraw/zinc/29/17/47/1097291747.db2.gz IUPICMQMMDUBLQ-UHFFFAOYSA-N -1 0 341.392 2.602 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2c[nH]c3cc(Cl)ccc23)o1 ZINC001606019338 1097299729 /nfs/dbraw/zinc/29/97/29/1097299729.db2.gz FHYDBYBUHROGFW-UHFFFAOYSA-N -1 0 342.750 2.744 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(C(C)(C)C)cc2)o1 ZINC001606019681 1097300002 /nfs/dbraw/zinc/30/00/02/1097300002.db2.gz JKYKRCJGDZDAET-UHFFFAOYSA-N -1 0 325.376 2.907 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCCCc3cc(C#N)ccc32)o1 ZINC001606019889 1097300116 /nfs/dbraw/zinc/30/01/16/1097300116.db2.gz ONSQIISOZMCBJO-UHFFFAOYSA-N -1 0 348.370 2.577 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001606043460 1097305595 /nfs/dbraw/zinc/30/55/95/1097305595.db2.gz IVGOPZNPGGKVKA-INIZCTEOSA-N -1 0 342.326 2.746 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC001606043480 1097306067 /nfs/dbraw/zinc/30/60/67/1097306067.db2.gz JZWRVLCZXFGIPF-UHFFFAOYSA-N -1 0 335.363 2.525 20 30 EFEDRM N#Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ncc1Cl ZINC001167931985 1097316395 /nfs/dbraw/zinc/31/63/95/1097316395.db2.gz LTAMEJNUFMTYOR-UHFFFAOYSA-N -1 0 349.714 2.691 20 30 EFEDRM CN(CC1CCCCC1)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001606101055 1097319702 /nfs/dbraw/zinc/31/97/02/1097319702.db2.gz PPLRVFWHJLOTPJ-UHFFFAOYSA-N -1 0 332.400 2.774 20 30 EFEDRM N#Cc1ccc(F)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167934208 1097337827 /nfs/dbraw/zinc/33/78/27/1097337827.db2.gz GXEATXPTHZLNLG-UHFFFAOYSA-N -1 0 332.271 2.782 20 30 EFEDRM CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)CCCC(=O)[O-] ZINC001606186805 1097341168 /nfs/dbraw/zinc/34/11/68/1097341168.db2.gz IMAXKIDMCHLKSY-LFIBNONCSA-N -1 0 345.395 2.665 20 30 EFEDRM COC(=O)[C@@H](C)n1cccc1C=NNc1cccc(C(=O)[O-])c1C ZINC001606322448 1097380704 /nfs/dbraw/zinc/38/07/04/1097380704.db2.gz DGFCJIPDYBRMFK-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccccc1-c1nn[nH]n1 ZINC001606483506 1097405592 /nfs/dbraw/zinc/40/55/92/1097405592.db2.gz YCNGJNXJUNDQLO-AATRIKPKSA-N -1 0 328.278 2.747 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001606884831 1097466074 /nfs/dbraw/zinc/46/60/74/1097466074.db2.gz RFALOMBVNKUUKE-UHFFFAOYSA-N -1 0 343.742 2.571 20 30 EFEDRM COCCOCc1cc(C#N)ccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001606906689 1097470180 /nfs/dbraw/zinc/47/01/80/1097470180.db2.gz PUSBUXHYLKHCMX-HNNXBMFYSA-N -1 0 346.427 2.802 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001606910330 1097471156 /nfs/dbraw/zinc/47/11/56/1097471156.db2.gz KHGACWYMAKEUMT-ALCCZGGFSA-N -1 0 342.351 2.886 20 30 EFEDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1cscc1C#N ZINC001606912228 1097472235 /nfs/dbraw/zinc/47/22/35/1097472235.db2.gz WFJCBNJKHLSHKK-UHFFFAOYSA-N -1 0 346.364 2.595 20 30 EFEDRM COCc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC001606951459 1097479082 /nfs/dbraw/zinc/47/90/82/1097479082.db2.gz FBHRNFOPGYDZSJ-QGZVFWFLSA-N -1 0 326.352 2.951 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC001606996455 1097492176 /nfs/dbraw/zinc/49/21/76/1097492176.db2.gz TXGZVSKKOKGSDM-UHFFFAOYSA-N -1 0 328.324 2.626 20 30 EFEDRM COc1cc(C#N)ccc1OCCn1nc(C(=O)[O-])c(Cl)c1C ZINC001607065415 1097504027 /nfs/dbraw/zinc/50/40/27/1097504027.db2.gz WIKOKJUKEYVIRH-UHFFFAOYSA-N -1 0 335.747 2.502 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001607065545 1097504122 /nfs/dbraw/zinc/50/41/22/1097504122.db2.gz SEVWVCARHAMIMQ-OFQRWUPVSA-N -1 0 342.395 2.672 20 30 EFEDRM COc1cc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])ccc1C#N ZINC001607075391 1097505407 /nfs/dbraw/zinc/50/54/07/1097505407.db2.gz BQIWQHPKJDQLOJ-MRXNPFEDSA-N -1 0 336.347 2.531 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1O ZINC001607087878 1097510782 /nfs/dbraw/zinc/51/07/82/1097510782.db2.gz XELHFKJTFMWGAN-KRWDZBQOSA-N -1 0 330.340 2.512 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1OC ZINC001607101368 1097514693 /nfs/dbraw/zinc/51/46/93/1097514693.db2.gz LCJQGEJCMLQHKX-JQWIXIFHSA-N -1 0 347.371 2.606 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)NCC(C)(C)CCC#N)c1OC ZINC001607102081 1097515944 /nfs/dbraw/zinc/51/59/44/1097515944.db2.gz WYPDSLRPRVLNJI-UHFFFAOYSA-N -1 0 349.387 2.853 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001607121895 1097524106 /nfs/dbraw/zinc/52/41/06/1097524106.db2.gz UJRGOAVLEIOBJA-RUDMXATFSA-N -1 0 343.310 2.754 20 30 EFEDRM COc1cc(NC(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])cc1OC ZINC001607179602 1097553089 /nfs/dbraw/zinc/55/30/89/1097553089.db2.gz YULLSPMGTZBAGR-UHFFFAOYSA-N -1 0 340.335 2.720 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])n2C)c(C)c1OC ZINC001607204219 1097559589 /nfs/dbraw/zinc/55/95/89/1097559589.db2.gz PFLSQXYRMDXDBR-RMKNXTFCSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1ccc(CNC(=O)[C@@H](CC#N)c2ccccc2)cc1C(=O)[O-] ZINC001607254218 1097575807 /nfs/dbraw/zinc/57/58/07/1097575807.db2.gz PIWVLKQGJPMUAY-HNNXBMFYSA-N -1 0 338.363 2.707 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1C(=O)[O-] ZINC001607257866 1097576824 /nfs/dbraw/zinc/57/68/24/1097576824.db2.gz MNKGLJWPUVUWDR-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(CNc2ccc(OCC(=O)[O-])cc2C)cc1C#N ZINC001607261047 1097577667 /nfs/dbraw/zinc/57/76/67/1097577667.db2.gz HPZVFTGCTQUKCH-UHFFFAOYSA-N -1 0 326.352 2.951 20 30 EFEDRM COc1ccc(NC(=O)c2ccccc2OCC#N)c(C(=O)[O-])c1 ZINC001607275701 1097581981 /nfs/dbraw/zinc/58/19/81/1097581981.db2.gz KTLBMRNNNGVSDT-UHFFFAOYSA-N -1 0 326.308 2.548 20 30 EFEDRM COc1ccc([N+](=O)[O-])c(OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001607292018 1097585915 /nfs/dbraw/zinc/58/59/15/1097585915.db2.gz RSWBEMYAICBDLN-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(CC#N)cc2)c1 ZINC001607307527 1097593996 /nfs/dbraw/zinc/59/39/96/1097593996.db2.gz FECPZYLBDNCKQY-QGZVFWFLSA-N -1 0 338.363 2.659 20 30 EFEDRM COc1cccc(O)c1/C=N\[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001607326963 1097602306 /nfs/dbraw/zinc/60/23/06/1097602306.db2.gz YZGAFAFPGGWSSV-NBZOHKLQSA-N -1 0 338.363 2.997 20 30 EFEDRM C[S@](=O)Cc1ccccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001607383867 1097615052 /nfs/dbraw/zinc/61/50/52/1097615052.db2.gz KOTRYDOWGLYNNA-QHCPKHFHSA-N -1 0 328.393 2.747 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2ccccc2C#Cc2ccccc2)O[C@H]1C(=O)[O-] ZINC001607444426 1097630021 /nfs/dbraw/zinc/63/00/21/1097630021.db2.gz CLACURVFNACODK-NIKGAXFTSA-N -1 0 349.386 2.903 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001607452634 1097631031 /nfs/dbraw/zinc/63/10/31/1097631031.db2.gz MSBMKNJELISXQR-LLVKDONJSA-N -1 0 340.339 2.730 20 30 EFEDRM C[Si](C)(C)c1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001607481959 1097637875 /nfs/dbraw/zinc/63/78/75/1097637875.db2.gz JJKKLHWJJRIWQQ-UHFFFAOYSA-N -1 0 325.444 2.809 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001607504714 1097645156 /nfs/dbraw/zinc/64/51/56/1097645156.db2.gz SMZMBVJGGWICRC-NEPJUHHUSA-N -1 0 340.301 2.592 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001607507373 1097645798 /nfs/dbraw/zinc/64/57/98/1097645798.db2.gz PKLZOVKEFBYDMH-GFCCVEGCSA-N -1 0 346.433 2.724 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OC(=O)c1ccccc1OCC#N ZINC001607530446 1097653472 /nfs/dbraw/zinc/65/34/72/1097653472.db2.gz DUUXWKQMKDUXCX-UHFFFAOYSA-N -1 0 329.283 2.954 20 30 EFEDRM Cc1c(NCCO[C@@H](C)C#N)cc(Br)cc1C(=O)[O-] ZINC001607549187 1097659448 /nfs/dbraw/zinc/65/94/48/1097659448.db2.gz NUMDKIBKFTWDRQ-QMMMGPOBSA-N -1 0 327.178 2.796 20 30 EFEDRM Cc1c(Nc2ccc(C#N)c(Br)c2)cnn1CC(=O)[O-] ZINC001607553980 1097660275 /nfs/dbraw/zinc/66/02/75/1097660275.db2.gz HDIGDESWQGAVNG-UHFFFAOYSA-N -1 0 335.161 2.654 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001607564678 1097661715 /nfs/dbraw/zinc/66/17/15/1097661715.db2.gz PXROMCGJRHEOON-UHFFFAOYSA-N -1 0 336.391 2.775 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001607565611 1097662617 /nfs/dbraw/zinc/66/26/17/1097662617.db2.gz BBGXNSQYENVZNU-UHFFFAOYSA-N -1 0 327.365 2.762 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001607565374 1097662716 /nfs/dbraw/zinc/66/27/16/1097662716.db2.gz IRKPVFFPPFTQMG-UHFFFAOYSA-N -1 0 329.381 2.983 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001607565970 1097662805 /nfs/dbraw/zinc/66/28/05/1097662805.db2.gz VEFQMDHZCQDJJI-INIZCTEOSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1cc(C(=O)NCCC#C[Si](C)(C)C)cc(C)c1OCC(=O)[O-] ZINC001607579070 1097665228 /nfs/dbraw/zinc/66/52/28/1097665228.db2.gz DWQJISZUIPQZHI-UHFFFAOYSA-N -1 0 347.487 2.768 20 30 EFEDRM Cc1cc(C(=O)[O-])c2c(n1)nc(SCC1(CC#N)CC1)[nH]c2=O ZINC001607587932 1097668100 /nfs/dbraw/zinc/66/81/00/1097668100.db2.gz UJQPXQFSOAPSIK-UHFFFAOYSA-N -1 0 330.369 2.523 20 30 EFEDRM Cc1cc(CN2CCN(c3cccc(F)c3C#N)CC2)oc1C(=O)[O-] ZINC001607641843 1097686585 /nfs/dbraw/zinc/68/65/85/1097686585.db2.gz LYJIYHMIOSSAEE-UHFFFAOYSA-N -1 0 343.358 2.619 20 30 EFEDRM Cc1cc(CN[C@H](CC#N)C(F)(F)F)cc(C)c1OCC(=O)[O-] ZINC001607646036 1097688092 /nfs/dbraw/zinc/68/80/92/1097688092.db2.gz ATBPDQUVVDWFRC-GFCCVEGCSA-N -1 0 330.306 2.701 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001607659003 1097692221 /nfs/dbraw/zinc/69/22/21/1097692221.db2.gz PIRNNVNPLQTRBY-UHFFFAOYSA-N -1 0 343.270 2.865 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607664186 1097693803 /nfs/dbraw/zinc/69/38/03/1097693803.db2.gz BJHJZWBCYARTSP-UHFFFAOYSA-N -1 0 326.327 2.932 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2C)cnn1CCC#N ZINC001607663846 1097693992 /nfs/dbraw/zinc/69/39/92/1097693992.db2.gz DJEQHZNZSKIXQN-OAHLLOKOSA-N -1 0 345.330 2.535 20 30 EFEDRM Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)ncc1C#N ZINC001607683638 1097698018 /nfs/dbraw/zinc/69/80/18/1097698018.db2.gz AHUFZTUADWFIKO-LLVKDONJSA-N -1 0 330.369 2.661 20 30 EFEDRM Cc1cc(NC(=O)NCC(C)(C)CC(=O)[O-])c(C#N)cc1N(C)C ZINC001607686375 1097698906 /nfs/dbraw/zinc/69/89/06/1097698906.db2.gz HGZMUGSAEAHAJA-UHFFFAOYSA-N -1 0 332.404 2.555 20 30 EFEDRM Cc1ccc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1C#N ZINC001607728655 1097710997 /nfs/dbraw/zinc/71/09/97/1097710997.db2.gz UKNVRNKJCWHLBF-UHFFFAOYSA-N -1 0 336.347 2.600 20 30 EFEDRM Cc1ccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)cc1C#N ZINC001607747389 1097717941 /nfs/dbraw/zinc/71/79/41/1097717941.db2.gz CZZYAMMNTHSWHG-UHFFFAOYSA-N -1 0 325.320 2.801 20 30 EFEDRM Cc1ccc(C)c(NC(=S)NN=Cc2cc(C(=O)[O-])n(C)c2)c1 ZINC001607765049 1097725002 /nfs/dbraw/zinc/72/50/02/1097725002.db2.gz YWOMMVSBEHLROL-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1cccc2c1O[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001607866760 1097759853 /nfs/dbraw/zinc/75/98/53/1097759853.db2.gz ZAGSVOSJCZUDBY-RDJZCZTQSA-N -1 0 337.331 2.539 20 30 EFEDRM Cc1nc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1C#N ZINC001607948941 1097785353 /nfs/dbraw/zinc/78/53/53/1097785353.db2.gz IEYMIHTYFCXCKC-HNNXBMFYSA-N -1 0 344.754 2.768 20 30 EFEDRM Cc1nc2ccccc2c(C)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607973221 1097793547 /nfs/dbraw/zinc/79/35/47/1097793547.db2.gz FTBIQQXMOUWNOC-UHFFFAOYSA-N -1 0 337.379 2.682 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Nc1ccc(F)cc1C#N ZINC001608007587 1097803675 /nfs/dbraw/zinc/80/36/75/1097803675.db2.gz KSPGWFBLCJLWFL-UHFFFAOYSA-N -1 0 345.334 2.629 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Nc1cccc(CC#N)c1 ZINC001608007467 1097803802 /nfs/dbraw/zinc/80/38/02/1097803802.db2.gz IIKDGTQTAJWSTM-UHFFFAOYSA-N -1 0 341.371 2.685 20 30 EFEDRM Cc1nsc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C#N ZINC001608030651 1097809672 /nfs/dbraw/zinc/80/96/72/1097809672.db2.gz VWNUBOHOYLSLPO-BLLLJJGKSA-N -1 0 327.365 2.520 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001608031861 1097810128 /nfs/dbraw/zinc/81/01/28/1097810128.db2.gz RIEQWQRQTQDQIF-CJNGLKHVSA-N -1 0 330.384 2.955 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001608031700 1097810420 /nfs/dbraw/zinc/81/04/20/1097810420.db2.gz HLFWAOZQQBWBNQ-UHFFFAOYSA-N -1 0 345.380 2.634 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001608032067 1097810857 /nfs/dbraw/zinc/81/08/57/1097810857.db2.gz HLPFONVTUMQLQS-UHFFFAOYSA-N -1 0 334.715 2.829 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)NCCSCc1ccccc1C#N ZINC001608036316 1097812326 /nfs/dbraw/zinc/81/23/26/1097812326.db2.gz NXSVVZCXSQNQGD-UHFFFAOYSA-N -1 0 344.392 2.821 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001608084087 1097828685 /nfs/dbraw/zinc/82/86/85/1097828685.db2.gz WZCZBTYERUSCKT-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1cc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC001608107255 1097836178 /nfs/dbraw/zinc/83/61/78/1097836178.db2.gz NUXJRRRIDFHIDO-FARCUNLSSA-N -1 0 340.335 2.576 20 30 EFEDRM N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001608169703 1097849225 /nfs/dbraw/zinc/84/92/25/1097849225.db2.gz BNEIYAFSVRJSFT-ZDUSSCGKSA-N -1 0 347.330 2.827 20 30 EFEDRM Cn1nccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1Br ZINC001608162785 1097849442 /nfs/dbraw/zinc/84/94/42/1097849442.db2.gz QWUOEJWWPFQWCW-SNAWJCMRSA-N -1 0 335.157 2.777 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001608170627 1097850141 /nfs/dbraw/zinc/85/01/41/1097850141.db2.gz VBXHTMBKSRKPMB-OFQRWUPVSA-N -1 0 339.391 2.887 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC001608173577 1097850345 /nfs/dbraw/zinc/85/03/45/1097850345.db2.gz YXPCZUWOSSELRI-UHFFFAOYSA-N -1 0 340.351 2.832 20 30 EFEDRM N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608173859 1097850390 /nfs/dbraw/zinc/85/03/90/1097850390.db2.gz NKMRUDXDMJSLEA-DZGCQCFKSA-N -1 0 345.790 2.531 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC001608171648 1097850415 /nfs/dbraw/zinc/85/04/15/1097850415.db2.gz PFOTZVWQNMMGTP-UHFFFAOYSA-N -1 0 344.386 2.854 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2-c2ccoc2)CC1 ZINC001608173082 1097850433 /nfs/dbraw/zinc/85/04/33/1097850433.db2.gz SMYALIMXOSBBNV-UHFFFAOYSA-N -1 0 342.326 2.916 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2cccc3ccsc32)CC1 ZINC001608172706 1097850440 /nfs/dbraw/zinc/85/04/40/1097850440.db2.gz LZXRIFPVEPSQPC-UHFFFAOYSA-N -1 0 343.408 2.801 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC001608172771 1097850824 /nfs/dbraw/zinc/85/08/24/1097850824.db2.gz PPTKSEZLVBQLJI-UHFFFAOYSA-N -1 0 336.398 2.580 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC001608173679 1097850920 /nfs/dbraw/zinc/85/09/20/1097850920.db2.gz JVLKSIHHHMMTHK-NSHDSACASA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC001608172777 1097850941 /nfs/dbraw/zinc/85/09/41/1097850941.db2.gz PVWKRNPGRSYTDD-UHFFFAOYSA-N -1 0 341.411 2.854 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)CCCC1 ZINC001608171558 1097850981 /nfs/dbraw/zinc/85/09/81/1097850981.db2.gz AIXIJGOEEXPSCM-UHFFFAOYSA-N -1 0 339.351 2.721 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC001608170899 1097851167 /nfs/dbraw/zinc/85/11/67/1097851167.db2.gz AZUIKXLHVKRTGO-UHFFFAOYSA-N -1 0 341.194 2.753 20 30 EFEDRM N#CC1(CC(=O)O[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])CC1 ZINC001608175929 1097851754 /nfs/dbraw/zinc/85/17/54/1097851754.db2.gz KVKVTIMFSQLCAK-GFCCVEGCSA-N -1 0 341.285 2.938 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC(CC(=O)[O-])C1 ZINC001608174249 1097851793 /nfs/dbraw/zinc/85/17/93/1097851793.db2.gz WFRJLMFYIVBWAZ-MHVXSEJMSA-N -1 0 341.411 2.721 20 30 EFEDRM N#C[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)C2)Cc1ccccc1 ZINC001608174330 1097852047 /nfs/dbraw/zinc/85/20/47/1097852047.db2.gz WSOYCTRVDGDMKN-MNNVXMFVSA-N -1 0 327.380 2.947 20 30 EFEDRM N#CC1(CCC[S@](=O)Cc2ccccc2C(=O)[O-])CCOCC1 ZINC001608175355 1097852137 /nfs/dbraw/zinc/85/21/37/1097852137.db2.gz WBEABSCKUJFAAT-QHCPKHFHSA-N -1 0 335.425 2.734 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])on1)c1c(Cl)cccc1Cl ZINC001608174403 1097852351 /nfs/dbraw/zinc/85/23/51/1097852351.db2.gz XNVLABUDQUPVDZ-SECBINFHSA-N -1 0 340.122 2.674 20 30 EFEDRM N#C[C@]1(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)CC12CCCC2 ZINC001608176097 1097852772 /nfs/dbraw/zinc/85/27/72/1097852772.db2.gz OQBVTENMSJCQCB-SFHVURJKSA-N -1 0 327.336 2.585 20 30 EFEDRM N#CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001608179143 1097852900 /nfs/dbraw/zinc/85/29/00/1097852900.db2.gz VSTOHOOJSDLJPJ-QZTJIDSGSA-N -1 0 336.391 2.886 20 30 EFEDRM N#CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001608181831 1097853116 /nfs/dbraw/zinc/85/31/16/1097853116.db2.gz UFIXCVNUJPTVSG-UHFFFAOYSA-N -1 0 341.314 2.844 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])c1ccccc1 ZINC001608178186 1097853121 /nfs/dbraw/zinc/85/31/21/1097853121.db2.gz LDEBLMYBPGBPNJ-HPFXQQBRSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001608183897 1097853888 /nfs/dbraw/zinc/85/38/88/1097853888.db2.gz MXPOIWVSYVEIDD-KRWDZBQOSA-N -1 0 329.400 2.572 20 30 EFEDRM N#CCCn1ccc(N[C@@H](C(=O)[O-])c2ccccc2Br)n1 ZINC001608183079 1097854125 /nfs/dbraw/zinc/85/41/25/1097854125.db2.gz HWMDOHGOKMTEGN-CYBMUJFWSA-N -1 0 349.188 2.797 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1cc(Cl)cc(Br)c1 ZINC001608187009 1097854221 /nfs/dbraw/zinc/85/42/21/1097854221.db2.gz ZPUOGBOHSQBYCT-UHFFFAOYSA-N -1 0 331.597 2.903 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001608183631 1097854251 /nfs/dbraw/zinc/85/42/51/1097854251.db2.gz FJZDFZFCYXATSO-UHFFFAOYSA-N -1 0 341.392 2.967 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1csc(-c2ccccc2Cl)n1 ZINC001608186329 1097854453 /nfs/dbraw/zinc/85/44/53/1097854453.db2.gz KHKJTYOUDQOMDG-UHFFFAOYSA-N -1 0 349.799 2.904 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001608187061 1097854488 /nfs/dbraw/zinc/85/44/88/1097854488.db2.gz LCNOSOJDWCIVTH-AWEZNQCLSA-N -1 0 336.347 2.808 20 30 EFEDRM N#CCOc1cccc(CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001608187384 1097854727 /nfs/dbraw/zinc/85/47/27/1097854727.db2.gz WIHKPQQUUBQERW-UHFFFAOYSA-N -1 0 338.363 2.536 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)CCc1ccccc1C(=O)[O-])C2 ZINC001608189218 1097855163 /nfs/dbraw/zinc/85/51/63/1097855163.db2.gz IFJCFLHWVJQPRM-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1ccccc1CCC(=O)[O-])C2 ZINC001608189360 1097855194 /nfs/dbraw/zinc/85/51/94/1097855194.db2.gz OJEFNTNVBPEBLU-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM N#CCOc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001608188253 1097855360 /nfs/dbraw/zinc/85/53/60/1097855360.db2.gz CAECIPIIVLEEFA-UHFFFAOYSA-N -1 0 349.346 2.950 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001608189266 1097855376 /nfs/dbraw/zinc/85/53/76/1097855376.db2.gz JZVFJPTWTJXWKN-INIZCTEOSA-N -1 0 334.375 2.900 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001608187875 1097855552 /nfs/dbraw/zinc/85/55/52/1097855552.db2.gz BSSSHIVWBSCNML-STQMWFEESA-N -1 0 325.368 2.538 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001608188853 1097855607 /nfs/dbraw/zinc/85/56/07/1097855607.db2.gz XHLNFOLFEXWRBA-KRWDZBQOSA-N -1 0 348.358 2.925 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001608188978 1097855674 /nfs/dbraw/zinc/85/56/74/1097855674.db2.gz SPSGPWFEUGCHTL-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1c(COC(=O)c2c(N)c(F)ccc2Cl)cccc1C(=O)[O-] ZINC001608190906 1097855827 /nfs/dbraw/zinc/85/58/27/1097855827.db2.gz LDKIEALYENBGJY-UHFFFAOYSA-N -1 0 348.717 2.988 20 30 EFEDRM N#CCn1c(C(=O)NCCc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001608190557 1097856143 /nfs/dbraw/zinc/85/61/43/1097856143.db2.gz UNYZNJBEOMDINW-UHFFFAOYSA-N -1 0 347.374 2.836 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(-c3ncon3)cc2)cccc1C(=O)[O-] ZINC001608191324 1097856265 /nfs/dbraw/zinc/85/62/65/1097856265.db2.gz SBJPZWDXORPGSR-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1C(=O)[O-] ZINC001608191198 1097856288 /nfs/dbraw/zinc/85/62/88/1097856288.db2.gz IMRQJUAFDICLQI-NXHRZFHOSA-N -1 0 328.412 2.772 20 30 EFEDRM N#CCn1c(C(=O)OC2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001608190901 1097856354 /nfs/dbraw/zinc/85/63/54/1097856354.db2.gz ZZTGLPDVXCIEIL-UHFFFAOYSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c(CSC[C@@H]2CC3(CCC3)C(=O)O2)cccc1C(=O)[O-] ZINC001608191809 1097856402 /nfs/dbraw/zinc/85/64/02/1097856402.db2.gz DWDRHQXDCFOHFB-LBPRGKRZSA-N -1 0 331.393 2.975 20 30 EFEDRM N#Cc1c(CN2CCO[C@@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC001608190509 1097856564 /nfs/dbraw/zinc/85/65/64/1097856564.db2.gz HUSNEKOZXQEXKP-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc(Cl)c2O)cccc1C(=O)[O-] ZINC001608190329 1097856571 /nfs/dbraw/zinc/85/65/71/1097856571.db2.gz DCYBBIUVXDCSLE-UHFFFAOYSA-N -1 0 331.711 2.972 20 30 EFEDRM N#Cc1c(COC(=O)Cc2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC001608190910 1097856776 /nfs/dbraw/zinc/85/67/76/1097856776.db2.gz LGHLDLPDOWQVTO-UHFFFAOYSA-N -1 0 331.274 2.821 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N[C@H](CC(F)F)C(=O)[O-])c(Cl)c1 ZINC001608196822 1097858266 /nfs/dbraw/zinc/85/82/66/1097858266.db2.gz JQAMDHJSSHEIHC-MRVPVSSYSA-N -1 0 337.109 2.703 20 30 EFEDRM N#Cc1cc(NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)ccc1OC(F)(F)F ZINC001608197584 1097858426 /nfs/dbraw/zinc/85/84/26/1097858426.db2.gz HHKRMQHJWMZTFL-PSASIEDQSA-N -1 0 336.216 2.835 20 30 EFEDRM N#Cc1cc(NC[C@@H](CC(=O)[O-])C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001608197925 1097858474 /nfs/dbraw/zinc/85/84/74/1097858474.db2.gz VPEVFAZCCKUWEP-GFCCVEGCSA-N -1 0 340.339 2.927 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001608198495 1097858581 /nfs/dbraw/zinc/85/85/81/1097858581.db2.gz JXPWWVTXLFDHCB-OAHLLOKOSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1F ZINC001608198462 1097858670 /nfs/dbraw/zinc/85/86/70/1097858670.db2.gz IFWXFAXBBRKTIF-ZDUSSCGKSA-N -1 0 341.298 2.794 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001608196858 1097858686 /nfs/dbraw/zinc/85/86/86/1097858686.db2.gz HNJFSPVQJWGQKS-ZDUSSCGKSA-N -1 0 345.252 2.568 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])ccc12 ZINC001608195688 1097858740 /nfs/dbraw/zinc/85/87/40/1097858740.db2.gz VUQNZLIMJSGFMZ-SFHVURJKSA-N -1 0 345.358 2.691 20 30 EFEDRM N#Cc1cc(C(=O)OCCCCCC(=O)[O-])cnc1C(F)(F)F ZINC001608196433 1097858819 /nfs/dbraw/zinc/85/88/19/1097858819.db2.gz VJLMSDRIYVHLFK-UHFFFAOYSA-N -1 0 330.262 2.774 20 30 EFEDRM N#Cc1cc(Cl)cc(OCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001608197385 1097858864 /nfs/dbraw/zinc/85/88/64/1097858864.db2.gz WOKFIZREAASCAM-UHFFFAOYSA-N -1 0 336.756 2.989 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(NCc2ccc(CC(=O)[O-])cc2)cc1F ZINC001608198338 1097859096 /nfs/dbraw/zinc/85/90/96/1097859096.db2.gz AREVUQHDLMXEHF-UHFFFAOYSA-N -1 0 329.287 2.845 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)nc1Cl ZINC001608198862 1097859494 /nfs/dbraw/zinc/85/94/94/1097859494.db2.gz GQOOLVXHXUDGLQ-GFCCVEGCSA-N -1 0 341.754 2.510 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC001608200312 1097860013 /nfs/dbraw/zinc/86/00/13/1097860013.db2.gz ZAFHLXOYQWGYSZ-OALUTQOASA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC001608199188 1097860043 /nfs/dbraw/zinc/86/00/43/1097860043.db2.gz WLXNURZWEQGRBT-UHFFFAOYSA-N -1 0 328.755 2.939 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001608202871 1097860465 /nfs/dbraw/zinc/86/04/65/1097860465.db2.gz XBPIZRKIIMQMEH-HZMBPMFUSA-N -1 0 325.290 2.663 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1SCc1cnc(C(=O)[O-])cn1 ZINC001608202210 1097860857 /nfs/dbraw/zinc/86/08/57/1097860857.db2.gz MVPJIUPLYAUAKQ-UHFFFAOYSA-N -1 0 340.286 2.753 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@H](CC3CC3)C(=O)[O-])CCCC2)cc1 ZINC001608203219 1097860925 /nfs/dbraw/zinc/86/09/25/1097860925.db2.gz AGZRAUDQCNRKNL-INIZCTEOSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc([C@@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC001608202135 1097861001 /nfs/dbraw/zinc/86/10/01/1097861001.db2.gz MBVRRJKJMADIHH-MRXNPFEDSA-N -1 0 327.409 2.809 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(C[C@@H]2CCCC[C@@H]2C(=O)[O-])c1=O ZINC001608201407 1097861093 /nfs/dbraw/zinc/86/10/93/1097861093.db2.gz ATJDLMHVWKHWFU-QWRGUYRKSA-N -1 0 328.290 2.630 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3nsnc3c2)C(=O)[O-])cc1 ZINC001608203416 1097861660 /nfs/dbraw/zinc/86/16/60/1097861660.db2.gz MFSYVJMPSWIYEV-CQSZACIVSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)Cc3ccc(C(=O)[O-])nc3)CC2)cc1 ZINC001608203479 1097861725 /nfs/dbraw/zinc/86/17/25/1097861725.db2.gz AYLZVRQHNDNZMF-UHFFFAOYSA-N -1 0 349.390 2.600 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)NC3CC(CC(=O)[O-])C3)CC2)cc1 ZINC001608204087 1097861804 /nfs/dbraw/zinc/86/18/04/1097861804.db2.gz RQPUAOIQLUJOIG-UHFFFAOYSA-N -1 0 341.411 2.701 20 30 EFEDRM N#Cc1ccc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC001608204101 1097861901 /nfs/dbraw/zinc/86/19/01/1097861901.db2.gz RXNWEEUWRFYWEL-CYBMUJFWSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1F ZINC001608204453 1097862197 /nfs/dbraw/zinc/86/21/97/1097862197.db2.gz BVOVMMCHYKSXBX-UHFFFAOYSA-N -1 0 347.390 2.922 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001608204651 1097862289 /nfs/dbraw/zinc/86/22/89/1097862289.db2.gz MQGOHXBBVUQXMI-UHFFFAOYSA-N -1 0 349.390 2.567 20 30 EFEDRM N#Cc1ccc(C2(NCc3noc(CCCC(=O)[O-])n3)CCC2)cc1 ZINC001608203903 1097862469 /nfs/dbraw/zinc/86/24/69/1097862469.db2.gz LKKXQQMUWYCXMP-UHFFFAOYSA-N -1 0 340.383 2.518 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001608206153 1097862741 /nfs/dbraw/zinc/86/27/41/1097862741.db2.gz BYNMKXULESXXOQ-XEZPLFJOSA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC001608204924 1097862946 /nfs/dbraw/zinc/86/29/46/1097862946.db2.gz OMOXSIGIUAFSAQ-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001608205683 1097863070 /nfs/dbraw/zinc/86/30/70/1097863070.db2.gz LKMZQWXTKDAWBQ-UHFFFAOYSA-N -1 0 342.376 2.834 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001608207313 1097863242 /nfs/dbraw/zinc/86/32/42/1097863242.db2.gz YUYRTJSFUXCNBH-UHFFFAOYSA-N -1 0 326.327 2.645 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cnccc2C(=O)[O-])c(OC(F)F)c1 ZINC001608207127 1097863302 /nfs/dbraw/zinc/86/33/02/1097863302.db2.gz CBQHHSIILVHSQT-UHFFFAOYSA-N -1 0 348.261 2.610 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001608206256 1097863390 /nfs/dbraw/zinc/86/33/90/1097863390.db2.gz DMDJNJMGPWTQSB-UHFFFAOYSA-N -1 0 342.301 2.733 20 30 EFEDRM N#Cc1ccc(OCC(=O)OCc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001608210147 1097864124 /nfs/dbraw/zinc/86/41/24/1097864124.db2.gz GTNJNIUOERCHDR-UHFFFAOYSA-N -1 0 347.273 2.657 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001608210014 1097864286 /nfs/dbraw/zinc/86/42/86/1097864286.db2.gz ARESBWVPJXENCR-DLBZAZTESA-N -1 0 336.347 2.764 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC001608209760 1097864319 /nfs/dbraw/zinc/86/43/19/1097864319.db2.gz NVZLENVGFRVGQC-SJORKVTESA-N -1 0 336.347 2.944 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC001608214405 1097864851 /nfs/dbraw/zinc/86/48/51/1097864851.db2.gz AGLFUDVVQNTLFH-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001608213436 1097864989 /nfs/dbraw/zinc/86/49/89/1097864989.db2.gz MOEZHRDLJWPIIS-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001608213155 1097865020 /nfs/dbraw/zinc/86/50/20/1097865020.db2.gz IYGLRVPFTDZFEJ-CQSZACIVSA-N -1 0 341.392 2.805 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3ccsc3)C2)c1 ZINC001608215893 1097865855 /nfs/dbraw/zinc/86/58/55/1097865855.db2.gz TUEDTXSCOTXOJG-CVEARBPZSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001608215327 1097865952 /nfs/dbraw/zinc/86/59/52/1097865952.db2.gz PFDRJXIBMGCODP-AWEZNQCLSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCc2ccccc2F)C(=O)[O-])c1 ZINC001608215941 1097866599 /nfs/dbraw/zinc/86/65/99/1097866599.db2.gz AYFNTOSJPSTOSQ-QGZVFWFLSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)COc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001608216656 1097866974 /nfs/dbraw/zinc/86/69/74/1097866974.db2.gz PRINHDWLIPLVEY-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])cnc3Cl)CC2)c1 ZINC001608216536 1097867272 /nfs/dbraw/zinc/86/72/72/1097867272.db2.gz LUNHBWNVXMKEMR-UHFFFAOYSA-N -1 0 341.754 2.975 20 30 EFEDRM N#Cc1cccc([C@H]2CN(c3nc(Cl)c(C(=O)[O-])s3)CCO2)c1 ZINC001608217804 1097867321 /nfs/dbraw/zinc/86/73/21/1097867321.db2.gz UNCRAAKLIKORCU-LLVKDONJSA-N -1 0 349.799 2.944 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCCCCC(=O)C2)C(=O)[O-])c1 ZINC001608216721 1097867438 /nfs/dbraw/zinc/86/74/38/1097867438.db2.gz SBSIQXATXZIMNI-GDBMZVCRSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-n3cccc3)ccn2)C(=O)[O-])c1 ZINC001608216620 1097867678 /nfs/dbraw/zinc/86/76/78/1097867678.db2.gz OSHCBERFFCSFSB-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1[N+](=O)[O-] ZINC001608218337 1097867705 /nfs/dbraw/zinc/86/77/05/1097867705.db2.gz MHOXQIPIJLHPAU-CYBMUJFWSA-N -1 0 343.314 2.961 20 30 EFEDRM N#Cc1ccccc1OCc1cn([C@@H]2CCC[C@@H](C(=O)[O-])C2)nn1 ZINC001608219150 1097868274 /nfs/dbraw/zinc/86/82/74/1097868274.db2.gz MIYWIJPORFZSGC-IUODEOHRSA-N -1 0 326.356 2.545 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001608220251 1097868361 /nfs/dbraw/zinc/86/83/61/1097868361.db2.gz RYBMREHYVZWMPG-MDZDMXLPSA-N -1 0 335.315 2.696 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608219791 1097868416 /nfs/dbraw/zinc/86/84/16/1097868416.db2.gz AXQMCCWRVULSLR-YVMONPNESA-N -1 0 338.275 2.783 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608220653 1097868470 /nfs/dbraw/zinc/86/84/70/1097868470.db2.gz GUVXTJHFQMFCBP-JEJOPICUSA-N -1 0 338.338 2.695 20 30 EFEDRM N#Cc1cccc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001608218806 1097868561 /nfs/dbraw/zinc/86/85/61/1097868561.db2.gz ZPPBRHCGBVRRKG-ZDUSSCGKSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001608218583 1097868587 /nfs/dbraw/zinc/86/85/87/1097868587.db2.gz SVUHDASCOHFAIC-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001608219952 1097868641 /nfs/dbraw/zinc/86/86/41/1097868641.db2.gz IJJRRVQQUWXAMZ-CMDGGOBGSA-N -1 0 332.315 2.885 20 30 EFEDRM N#Cc1cccc(OC2CCN(Cc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001608218688 1097868657 /nfs/dbraw/zinc/86/86/57/1097868657.db2.gz WJRLTVDICCSKDY-UHFFFAOYSA-N -1 0 343.408 2.756 20 30 EFEDRM N#Cc1cnc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c(Cl)c1 ZINC001608222876 1097869126 /nfs/dbraw/zinc/86/91/26/1097869126.db2.gz KMGBYYXGDOQHGR-UHFFFAOYSA-N -1 0 347.733 2.867 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001608223210 1097869481 /nfs/dbraw/zinc/86/94/81/1097869481.db2.gz VYMITZZIQKQHMQ-GXFFZTMASA-N -1 0 345.786 2.909 20 30 EFEDRM N#Cc1cccnc1NCCOC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001608221344 1097869630 /nfs/dbraw/zinc/86/96/30/1097869630.db2.gz FXRZXRXGSMFKSB-UHFFFAOYSA-N -1 0 345.742 2.574 20 30 EFEDRM N#Cc1cn(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc2c1=O ZINC001608223337 1097869838 /nfs/dbraw/zinc/86/98/38/1097869838.db2.gz SVSIXCNOLRANBX-UHFFFAOYSA-N -1 0 349.302 2.528 20 30 EFEDRM N#Cc1ccnc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001608221640 1097869858 /nfs/dbraw/zinc/86/98/58/1097869858.db2.gz LPJMGFJWLCABJH-CYBMUJFWSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1ccsc1NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001608222611 1097869928 /nfs/dbraw/zinc/86/99/28/1097869928.db2.gz FPMMUMAGNFBDMX-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccccc1Cn1cccn1 ZINC001608224085 1097870382 /nfs/dbraw/zinc/87/03/82/1097870382.db2.gz KJMVVVCLSLJOBF-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001608225271 1097870419 /nfs/dbraw/zinc/87/04/19/1097870419.db2.gz SFCIGQSTZSZJET-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1sc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nc1Cl ZINC001608225255 1097870861 /nfs/dbraw/zinc/87/08/61/1097870861.db2.gz RCHXWRKHSQNALB-HNNXBMFYSA-N -1 0 333.800 2.901 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001608224527 1097870896 /nfs/dbraw/zinc/87/08/96/1097870896.db2.gz YXJAKCOZRUUEOV-MRXNPFEDSA-N -1 0 343.770 2.883 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)/C=C\c1ccc(F)cc1)C2 ZINC001608283644 1097881329 /nfs/dbraw/zinc/88/13/29/1097881329.db2.gz FOVAOSPCFWEGFL-BAQGIRSFSA-N -1 0 339.322 2.649 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)CCCC2CCOCC2)c1 ZINC001608302075 1097888278 /nfs/dbraw/zinc/88/82/78/1097888278.db2.gz BTRMNSHYSKMMOG-UHFFFAOYSA-N -1 0 330.380 2.876 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)CSCC(F)(F)F)c1 ZINC001608355091 1097900669 /nfs/dbraw/zinc/90/06/69/1097900669.db2.gz GVCCAMZMMSMWOX-UHFFFAOYSA-N -1 0 332.299 2.575 20 30 EFEDRM O=C([O-])[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC001608547452 1097948112 /nfs/dbraw/zinc/94/81/12/1097948112.db2.gz XYGSSDCSJSAPDW-SFHVURJKSA-N -1 0 325.339 2.528 20 30 EFEDRM O=C([O-])[C@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC001608547451 1097948252 /nfs/dbraw/zinc/94/82/52/1097948252.db2.gz XYGSSDCSJSAPDW-GOSISDBHSA-N -1 0 325.339 2.528 20 30 EFEDRM O=C([O-])C[C@H](NC(=O)C#CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001608668022 1097984041 /nfs/dbraw/zinc/98/40/41/1097984041.db2.gz CPXSBGYIIWKIFV-ZDUSSCGKSA-N -1 0 325.286 2.751 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cnn(C3CCC3)c2)cc1 ZINC001608758183 1098011590 /nfs/dbraw/zinc/01/15/90/1098011590.db2.gz STLZAMFLZKRKGW-RUDMXATFSA-N -1 0 326.352 2.968 20 30 EFEDRM C=C(Br)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001609022441 1098113952 /nfs/dbraw/zinc/11/39/52/1098113952.db2.gz SCKCNUUSJDWKII-UHFFFAOYSA-N -1 0 336.237 2.986 20 30 EFEDRM C#CC(C)(C)N(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001609055184 1098122878 /nfs/dbraw/zinc/12/28/78/1098122878.db2.gz XAEOTZICNNOOOO-UHFFFAOYSA-N -1 0 337.422 2.632 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001609054784 1098123077 /nfs/dbraw/zinc/12/30/77/1098123077.db2.gz REALQLKOHGVCFP-NEPJUHHUSA-N -1 0 335.429 2.798 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001609054785 1098123283 /nfs/dbraw/zinc/12/32/83/1098123283.db2.gz REALQLKOHGVCFP-NWDGAFQWSA-N -1 0 335.429 2.798 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001609057758 1098124544 /nfs/dbraw/zinc/12/45/44/1098124544.db2.gz FCUAYOWUAZISMY-MRXNPFEDSA-N -1 0 342.326 2.785 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001609055257 1098124711 /nfs/dbraw/zinc/12/47/11/1098124711.db2.gz ZFONPQSTJGMDEZ-LBPRGKRZSA-N -1 0 326.352 2.789 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001609076126 1098134323 /nfs/dbraw/zinc/13/43/23/1098134323.db2.gz DSIBURYANUHOOD-DLBZAZTESA-N -1 0 340.423 2.517 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CC(F)(F)F)o1 ZINC001609109268 1098150056 /nfs/dbraw/zinc/15/00/56/1098150056.db2.gz VVGJWRKFAFZSBA-UHFFFAOYSA-N -1 0 331.302 2.793 20 30 EFEDRM C#CCN(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCCCC1 ZINC001609137320 1098162997 /nfs/dbraw/zinc/16/29/97/1098162997.db2.gz MCRAAYZUQMLBPY-UHFFFAOYSA-N -1 0 344.411 2.871 20 30 EFEDRM C#CCCOc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001609137202 1098163187 /nfs/dbraw/zinc/16/31/87/1098163187.db2.gz FETYUKJSBNTUKY-UHFFFAOYSA-N -1 0 328.368 2.800 20 30 EFEDRM C#CCN(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001609137404 1098163499 /nfs/dbraw/zinc/16/34/99/1098163499.db2.gz RNCZQUMUZJVAEC-UHFFFAOYSA-N -1 0 325.162 2.553 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001609226528 1098212527 /nfs/dbraw/zinc/21/25/27/1098212527.db2.gz RGSVDWUGHDOHQD-LBPRGKRZSA-N -1 0 327.384 2.993 20 30 EFEDRM C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001609257763 1098229085 /nfs/dbraw/zinc/22/90/85/1098229085.db2.gz OKMYMXREYSKYOA-AWEZNQCLSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001609257596 1098229398 /nfs/dbraw/zinc/22/93/98/1098229398.db2.gz JJFGYKQTTYCTGN-KRWDZBQOSA-N -1 0 346.456 2.808 20 30 EFEDRM C=C(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001609259437 1098229432 /nfs/dbraw/zinc/22/94/32/1098229432.db2.gz QQKJQEIDBGJFCR-UHFFFAOYSA-N -1 0 338.385 2.858 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001609267353 1098232223 /nfs/dbraw/zinc/23/22/23/1098232223.db2.gz RTRJXEANOSCPFM-GJZGRUSLSA-N -1 0 346.210 2.737 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)[O-] ZINC001609287671 1098238784 /nfs/dbraw/zinc/23/87/84/1098238784.db2.gz YWSNZITVGQCIGJ-LBPRGKRZSA-N -1 0 331.353 2.911 20 30 EFEDRM C=CCC(C)(C)CNC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001609290389 1098239460 /nfs/dbraw/zinc/23/94/60/1098239460.db2.gz FMFHTELROYGWNU-UHFFFAOYSA-N -1 0 326.422 2.669 20 30 EFEDRM C=C[C@@H](Sc1n[nH]c(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001609287411 1098239760 /nfs/dbraw/zinc/23/97/60/1098239760.db2.gz PIMZOHKQKZETSZ-SNVBAGLBSA-N -1 0 325.777 2.768 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001609371466 1098270366 /nfs/dbraw/zinc/27/03/66/1098270366.db2.gz DWYRAQWXNYSZAR-UHFFFAOYSA-N -1 0 338.363 2.538 20 30 EFEDRM C=CCN(CCOC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001609371808 1098270573 /nfs/dbraw/zinc/27/05/73/1098270573.db2.gz WVWLNQXTXVSIRC-HNNXBMFYSA-N -1 0 334.416 2.683 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001609460377 1098336809 /nfs/dbraw/zinc/33/68/09/1098336809.db2.gz RNAQGWHLQFADNE-UHFFFAOYSA-N -1 0 343.335 2.710 20 30 EFEDRM C=CCOc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC001609459973 1098336909 /nfs/dbraw/zinc/33/69/09/1098336909.db2.gz BCSJBFMKNBUNPE-GFCCVEGCSA-N -1 0 333.384 2.728 20 30 EFEDRM C=CCOc1ccccc1C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001609461807 1098337142 /nfs/dbraw/zinc/33/71/42/1098337142.db2.gz PTMPAQKCKWWSMB-LJQANCHMSA-N -1 0 340.379 2.766 20 30 EFEDRM C=CCn1c(CC2CC2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001609470361 1098343060 /nfs/dbraw/zinc/34/30/60/1098343060.db2.gz PQNSTLPGDUFILB-UHFFFAOYSA-N -1 0 338.411 2.678 20 30 EFEDRM CC#CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001609488860 1098353095 /nfs/dbraw/zinc/35/30/95/1098353095.db2.gz NPFMVBNVHUIVRQ-CQSZACIVSA-N -1 0 338.201 2.885 20 30 EFEDRM CC#CCCCC(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609488628 1098353117 /nfs/dbraw/zinc/35/31/17/1098353117.db2.gz GJFSGDHALZUKTN-CYBMUJFWSA-N -1 0 331.368 2.757 20 30 EFEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001609553192 1098377253 /nfs/dbraw/zinc/37/72/53/1098377253.db2.gz NKKPDDWHRKTBAT-UHFFFAOYSA-N -1 0 335.360 2.505 20 30 EFEDRM CC(=NOCc1oncc1C(=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001609567745 1098382462 /nfs/dbraw/zinc/38/24/62/1098382462.db2.gz GSNXLBKFCBXLBW-UHFFFAOYSA-N -1 0 343.339 2.662 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609631434 1098410115 /nfs/dbraw/zinc/41/01/15/1098410115.db2.gz CHUQLNQNOHPXGD-SJKOYZFVSA-N -1 0 331.372 2.696 20 30 EFEDRM CC(C)(C#N)CC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001609647594 1098415503 /nfs/dbraw/zinc/41/55/03/1098415503.db2.gz YIOILYCKQDPODQ-UHFFFAOYSA-N -1 0 326.146 2.993 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC001609648755 1098415987 /nfs/dbraw/zinc/41/59/87/1098415987.db2.gz RNLXJQBZFNCWTG-AWEZNQCLSA-N -1 0 329.400 2.832 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC001609648756 1098416221 /nfs/dbraw/zinc/41/62/21/1098416221.db2.gz RNLXJQBZFNCWTG-CQSZACIVSA-N -1 0 329.400 2.832 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)NOCCCC(=O)[O-])cc1C#N ZINC001609669215 1098421017 /nfs/dbraw/zinc/42/10/17/1098421017.db2.gz XGBMRUCICAZVSP-UHFFFAOYSA-N -1 0 335.360 2.653 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001609673947 1098423006 /nfs/dbraw/zinc/42/30/06/1098423006.db2.gz XDHKJRDDFNKUQG-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM CC(C)CCOc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001609696736 1098430703 /nfs/dbraw/zinc/43/07/03/1098430703.db2.gz MAXMWMVUCHTPQC-UHFFFAOYSA-N -1 0 344.411 2.942 20 30 EFEDRM CC(C)CN(CCC(=O)[O-])c1ncc(Br)cc1C#N ZINC001609698667 1098431046 /nfs/dbraw/zinc/43/10/46/1098431046.db2.gz KBQIIRWQQQERMC-UHFFFAOYSA-N -1 0 326.194 2.653 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001609732724 1098441114 /nfs/dbraw/zinc/44/11/14/1098441114.db2.gz KBDOMLMENJUKCK-JOYOIKCWSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001609732723 1098441171 /nfs/dbraw/zinc/44/11/71/1098441171.db2.gz KBDOMLMENJUKCK-CABZTGNLSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC001609732507 1098441193 /nfs/dbraw/zinc/44/11/93/1098441193.db2.gz AYVYZJQDRDOMON-CABZTGNLSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@H](Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1)C(=O)[O-] ZINC001609755218 1098447667 /nfs/dbraw/zinc/44/76/67/1098447667.db2.gz XMLGPKOZFKQCSL-SNVBAGLBSA-N -1 0 326.312 2.868 20 30 EFEDRM C[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609764948 1098450040 /nfs/dbraw/zinc/45/00/40/1098450040.db2.gz WPPRYUYMRHXVRG-KDOFPFPSSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@@H](NC(=O)c1csc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609771610 1098452324 /nfs/dbraw/zinc/45/23/24/1098452324.db2.gz NNVRJPFHQNWQPM-ABAIWWIYSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001609790594 1098457802 /nfs/dbraw/zinc/45/78/02/1098457802.db2.gz IEJUTNGDTHDNQI-BXUZGUMPSA-N -1 0 338.319 2.836 20 30 EFEDRM C[C@@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609791150 1098459262 /nfs/dbraw/zinc/45/92/62/1098459262.db2.gz ZAPQNPOHXIEAJW-SNVBAGLBSA-N -1 0 349.358 2.587 20 30 EFEDRM CC/C(=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001609881988 1098483704 /nfs/dbraw/zinc/48/37/04/1098483704.db2.gz VDSKXBLGUHTYDN-OWBHPGMISA-N -1 0 342.395 2.706 20 30 EFEDRM CC[C@](C)(C#N)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609889904 1098485427 /nfs/dbraw/zinc/48/54/27/1098485427.db2.gz ADPGRYXDQCGLIP-PIGZYNQJSA-N -1 0 332.356 2.503 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001609905599 1098490000 /nfs/dbraw/zinc/49/00/00/1098490000.db2.gz UTJADMCCAUNVCY-INIZCTEOSA-N -1 0 345.443 2.735 20 30 EFEDRM CCN1C(=O)N[C@@H](c2ccc(F)c(C#N)c2Cl)C(C(=O)[O-])=C1C ZINC001610005815 1098519890 /nfs/dbraw/zinc/51/98/90/1098519890.db2.gz MORCNHZJXUTURE-ZDUSSCGKSA-N -1 0 337.738 2.796 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001610017396 1098521840 /nfs/dbraw/zinc/52/18/40/1098521840.db2.gz CDAMUVIKSUGAPA-FPLPWBNLSA-N -1 0 328.320 2.980 20 30 EFEDRM CCOc1cc(C#N)ccc1OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001610038427 1098526631 /nfs/dbraw/zinc/52/66/31/1098526631.db2.gz HUPIJAHCZYGPBS-UHFFFAOYSA-N -1 0 342.351 2.862 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001610060170 1098534638 /nfs/dbraw/zinc/53/46/38/1098534638.db2.gz FLMLTIVAWBEMCV-HXUWFJFHSA-N -1 0 336.391 2.502 20 30 EFEDRM CCc1oc2ccccc2c1C=NOCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610081951 1098542421 /nfs/dbraw/zinc/54/24/21/1098542421.db2.gz PCGLXBZHPRTJJM-KRWDZBQOSA-N -1 0 346.383 2.571 20 30 EFEDRM CN(C(=O)/C=C/c1ccccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001610088949 1098545085 /nfs/dbraw/zinc/54/50/85/1098545085.db2.gz ITFNQCVFRFJOBP-IZZDOVSWSA-N -1 0 336.347 2.698 20 30 EFEDRM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001610095679 1098546325 /nfs/dbraw/zinc/54/63/25/1098546325.db2.gz WHPQZFBRTHMXQC-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001610106395 1098549761 /nfs/dbraw/zinc/54/97/61/1098549761.db2.gz ZSDUQNWCHNFABY-QGZVFWFLSA-N -1 0 330.388 2.608 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccc([S-])cc3)C2)C1=O ZINC001269962857 1098550295 /nfs/dbraw/zinc/55/02/95/1098550295.db2.gz KRWGQOZIWRXCEE-GOSISDBHSA-N -1 0 330.453 2.616 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc([O-])c(Cl)c2)C1=O ZINC001269982410 1098558281 /nfs/dbraw/zinc/55/82/81/1098558281.db2.gz CMMQPDJOPXZERB-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001610152100 1098558481 /nfs/dbraw/zinc/55/84/81/1098558481.db2.gz GTMCHKSFMKHROG-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(Cl)c1[O-])CC2 ZINC001269983413 1098567337 /nfs/dbraw/zinc/56/73/37/1098567337.db2.gz PXKIJNJEZZQCHB-ZDUSSCGKSA-N -1 0 348.830 2.590 20 30 EFEDRM COC(=O)c1cc(NC(=O)CC#Cc2ccccc2)ccc1C(=O)[O-] ZINC001610203279 1098570826 /nfs/dbraw/zinc/57/08/26/1098570826.db2.gz UJEHPCQIUQAFMG-UHFFFAOYSA-N -1 0 337.331 2.552 20 30 EFEDRM COCCC(COC)N=Nc1cc(C(=O)[O-])ccc1Br ZINC001610254201 1098588990 /nfs/dbraw/zinc/58/89/90/1098588990.db2.gz IWLPYKVPUJGVQO-UHFFFAOYSA-N -1 0 345.193 2.598 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc(OC)c1OC ZINC001610278839 1098598053 /nfs/dbraw/zinc/59/80/53/1098598053.db2.gz KINPHQHCFZIODI-SNAWJCMRSA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001610279587 1098599372 /nfs/dbraw/zinc/59/93/72/1098599372.db2.gz IOPVSBATJAYEBJ-UHFFFAOYSA-N -1 0 328.324 2.567 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])n2C)cc(OC)c1OC ZINC001610279685 1098600176 /nfs/dbraw/zinc/60/01/76/1098600176.db2.gz JPQVSKADWWSJQX-VURMDHGXSA-N -1 0 345.351 2.645 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])Cc2ccccc2C#N)cc(OC)c1 ZINC001610295752 1098607052 /nfs/dbraw/zinc/60/70/52/1098607052.db2.gz CNBSQZAAZWLCGP-UHFFFAOYSA-N -1 0 340.379 2.662 20 30 EFEDRM COc1cc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)ccc1C#N ZINC001610297737 1098609192 /nfs/dbraw/zinc/60/91/92/1098609192.db2.gz RAZZEWBCIXGAEH-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1cc(NC(=O)c2cccc(C#N)c2C)c(C(=O)[O-])cc1OC ZINC001610303622 1098612062 /nfs/dbraw/zinc/61/20/62/1098612062.db2.gz MKYFNTNOCKOQRZ-UHFFFAOYSA-N -1 0 340.335 2.834 20 30 EFEDRM COc1ccc(OC)c(C=NOCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001610344890 1098631707 /nfs/dbraw/zinc/63/17/07/1098631707.db2.gz ZJYHTRAABNNRSP-UHFFFAOYSA-N -1 0 340.335 2.824 20 30 EFEDRM COc1ccc2oc(C)c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001610351983 1098632432 /nfs/dbraw/zinc/63/24/32/1098632432.db2.gz IYTMIJXLIHQGGV-UHFFFAOYSA-N -1 0 342.351 2.580 20 30 EFEDRM Cc1nc(=O)[nH]c(SCCCOc2ccc(C#N)cc2)c1C(=O)[O-] ZINC001610396204 1098655176 /nfs/dbraw/zinc/65/51/76/1098655176.db2.gz BVWURSHICITWEN-UHFFFAOYSA-N -1 0 345.380 2.622 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2csc(C#N)c2)c(C)c1C(=O)[O-] ZINC001610398821 1098655918 /nfs/dbraw/zinc/65/59/18/1098655918.db2.gz QFKKLWCLYWYGTN-VIFPVBQESA-N -1 0 346.364 2.691 20 30 EFEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)nnn1-c1ccccc1 ZINC001610407288 1098661377 /nfs/dbraw/zinc/66/13/77/1098661377.db2.gz VBCNBDNPCWYLON-HJWRWDBZSA-N -1 0 336.351 2.509 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])nn1C ZINC001610410032 1098662974 /nfs/dbraw/zinc/66/29/74/1098662974.db2.gz BCTWGKYCBNYEDR-WAYWQWQTSA-N -1 0 349.730 2.884 20 30 EFEDRM Cc1c(NC(=O)N2CCC(CC#N)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610422041 1098668919 /nfs/dbraw/zinc/66/89/19/1098668919.db2.gz ROXFQHVJMUZAFK-UHFFFAOYSA-N -1 0 346.343 2.759 20 30 EFEDRM Cc1c(NCC(=O)Nc2ccc(C#N)cc2)ccc(F)c1C(=O)[O-] ZINC001610427032 1098671740 /nfs/dbraw/zinc/67/17/40/1098671740.db2.gz UEPFHJPXGAZIBB-UHFFFAOYSA-N -1 0 327.315 2.755 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC001610432291 1098673466 /nfs/dbraw/zinc/67/34/66/1098673466.db2.gz AALCWGFOCMSLCG-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1cc(C#N)cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n1 ZINC001610432629 1098673773 /nfs/dbraw/zinc/67/37/73/1098673773.db2.gz KOCDMAWSOBWGHX-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001610432540 1098673965 /nfs/dbraw/zinc/67/39/65/1098673965.db2.gz HQSGYKBKQKOXFN-OAHLLOKOSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c2nccc(C)c2c1 ZINC001610435688 1098675229 /nfs/dbraw/zinc/67/52/29/1098675229.db2.gz GJWGTBBSUPYBMC-UHFFFAOYSA-N -1 0 337.379 2.682 20 30 EFEDRM Cc1cc(C(=O)N(C)c2ccccc2C#N)cc(C)c1OCC(=O)[O-] ZINC001610434098 1098675427 /nfs/dbraw/zinc/67/54/27/1098675427.db2.gz DUAJGSXVVDQIEF-UHFFFAOYSA-N -1 0 338.363 2.915 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(Cl)c1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC001610439926 1098677827 /nfs/dbraw/zinc/67/78/27/1098677827.db2.gz KGCSJWVBLCSHEB-INIZCTEOSA-N -1 0 335.791 2.567 20 30 EFEDRM Cc1cc(C)c(C)c(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1C ZINC001610449678 1098683855 /nfs/dbraw/zinc/68/38/55/1098683855.db2.gz KFIOUTPFRQEWBX-UHFFFAOYSA-N -1 0 338.363 2.535 20 30 EFEDRM Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001610454923 1098686809 /nfs/dbraw/zinc/68/68/09/1098686809.db2.gz AVSLJXRQOKADEY-OAHLLOKOSA-N -1 0 343.427 2.629 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C\c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001610458061 1098690046 /nfs/dbraw/zinc/69/00/46/1098690046.db2.gz SKCGYYYGFREJHF-WAYWQWQTSA-N -1 0 328.368 2.705 20 30 EFEDRM Cc1cc(COC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C#N ZINC001610461296 1098692704 /nfs/dbraw/zinc/69/27/04/1098692704.db2.gz LPAXHJLPAVWSOX-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)nn1CC(F)(F)F ZINC001610474545 1098697109 /nfs/dbraw/zinc/69/71/09/1098697109.db2.gz KKKSPJLDNAWMNO-CYBMUJFWSA-N -1 0 338.289 2.863 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N ZINC001610476472 1098698548 /nfs/dbraw/zinc/69/85/48/1098698548.db2.gz SAIHMRKPHWLOOU-RUDMXATFSA-N -1 0 343.360 2.732 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1COC(=O)COc1ccccc1C#N ZINC001610485568 1098704721 /nfs/dbraw/zinc/70/47/21/1098704721.db2.gz CFBINBBWUNFVFV-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1Cc2cccc(C#N)c2C1 ZINC001610487010 1098707429 /nfs/dbraw/zinc/70/74/29/1098707429.db2.gz OQMMOSGOUIDJEE-CYBMUJFWSA-N -1 0 349.390 2.908 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)NCC#Cc2ccccc2)cc1 ZINC001610493956 1098711728 /nfs/dbraw/zinc/71/17/28/1098711728.db2.gz UPMSQIHWJJVFPR-SFHVURJKSA-N -1 0 336.391 2.862 20 30 EFEDRM Cc1ccc2[nH]c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2c1C ZINC001610515472 1098725603 /nfs/dbraw/zinc/72/56/03/1098725603.db2.gz TVWHRNFUYDXTMF-UHFFFAOYSA-N -1 0 325.368 2.615 20 30 EFEDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC001610522734 1098730764 /nfs/dbraw/zinc/73/07/64/1098730764.db2.gz MUZIKWRJFYMERQ-UHFFFAOYSA-N -1 0 337.379 2.923 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1C#N ZINC001610552122 1098747874 /nfs/dbraw/zinc/74/78/74/1098747874.db2.gz MLISOFQXHNBUIW-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1noc(C)c1C(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610575050 1098763267 /nfs/dbraw/zinc/76/32/67/1098763267.db2.gz MMZBZWCOVYZAMJ-UHFFFAOYSA-N -1 0 342.351 2.882 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610578638 1098763724 /nfs/dbraw/zinc/76/37/24/1098763724.db2.gz WFULEWDIBKKZAR-LBPRGKRZSA-N -1 0 345.380 2.900 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610578543 1098764401 /nfs/dbraw/zinc/76/44/01/1098764401.db2.gz QTIOHVZGDCQDBV-XHDPSFHLSA-N -1 0 326.352 2.522 20 30 EFEDRM Cc1onc(CC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1C#N ZINC001610588777 1098770605 /nfs/dbraw/zinc/77/06/05/1098770605.db2.gz HQRCWTCFALOKRJ-UHFFFAOYSA-N -1 0 327.340 2.858 20 30 EFEDRM Cc1sc([C@H]2CCCN2Cc2ccncc2C#N)nc1C(=O)[O-] ZINC001610591645 1098772075 /nfs/dbraw/zinc/77/20/75/1098772075.db2.gz IWIABONLAOMJAT-CYBMUJFWSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1cc(C#N)c(NC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001610599501 1098777759 /nfs/dbraw/zinc/77/77/59/1098777759.db2.gz MOHUSSOLEBOEBV-CQSZACIVSA-N -1 0 347.419 2.617 20 30 EFEDRM Cn1cc([C@@H](NCc2cccc(C(=O)[O-])c2C#N)C(C)(C)C)cn1 ZINC001610600902 1098778467 /nfs/dbraw/zinc/77/84/67/1098778467.db2.gz BIABZNKVBQKQLV-MRXNPFEDSA-N -1 0 326.400 2.867 20 30 EFEDRM Cn1cc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)cc1C(=O)[O-] ZINC001610601700 1098779823 /nfs/dbraw/zinc/77/98/23/1098779823.db2.gz SNMQLXLPCZRCRP-SDQBBNPISA-N -1 0 326.308 2.844 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC001610617954 1098785900 /nfs/dbraw/zinc/78/59/00/1098785900.db2.gz RYQRLRCRMMFUAQ-UHFFFAOYSA-N -1 0 349.390 2.554 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cnc(Cl)c3ccccc23)CC1 ZINC001610617933 1098786090 /nfs/dbraw/zinc/78/60/90/1098786090.db2.gz QWLMIWDBAWGMOH-UHFFFAOYSA-N -1 0 343.770 2.719 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001610619489 1098786466 /nfs/dbraw/zinc/78/64/66/1098786466.db2.gz XXZSCHIJDOJOSL-MJGOQNOKSA-N -1 0 348.402 2.797 20 30 EFEDRM N#C[C@]1(C(=O)OCCOc2ccccc2C(=O)[O-])CC12CCCC2 ZINC001610618140 1098786636 /nfs/dbraw/zinc/78/66/36/1098786636.db2.gz VJDLSDFYXYYTLF-SFHVURJKSA-N -1 0 329.352 2.781 20 30 EFEDRM N#C[C@@]1(C(=O)OCCOc2ccccc2C(=O)[O-])CC12CCCC2 ZINC001610618135 1098786684 /nfs/dbraw/zinc/78/66/84/1098786684.db2.gz VJDLSDFYXYYTLF-GOSISDBHSA-N -1 0 329.352 2.781 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCC[C@H]2CCc3ccccc32)CC1 ZINC001610617428 1098786691 /nfs/dbraw/zinc/78/66/91/1098786691.db2.gz CRDGMRPTRNRFNX-OAHLLOKOSA-N -1 0 341.411 2.506 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC001610617800 1098786776 /nfs/dbraw/zinc/78/67/76/1098786776.db2.gz MVRDRLIZUUMUIZ-UHFFFAOYSA-N -1 0 330.356 2.926 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC001610619516 1098786795 /nfs/dbraw/zinc/78/67/95/1098786795.db2.gz WWKNVYODKHQMKV-JTQLQIEISA-N -1 0 338.241 2.991 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2cccc(C(F)F)c2)CC1 ZINC001610617926 1098786804 /nfs/dbraw/zinc/78/68/04/1098786804.db2.gz QJVYBDASPCJFMX-UHFFFAOYSA-N -1 0 337.326 2.524 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001610619616 1098786811 /nfs/dbraw/zinc/78/68/11/1098786811.db2.gz YHDQMTJCZULFMG-UHFFFAOYSA-N -1 0 332.787 2.589 20 30 EFEDRM N#CCOc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001610623099 1098787135 /nfs/dbraw/zinc/78/71/35/1098787135.db2.gz ICIGVWGZJUQGKS-UHFFFAOYSA-N -1 0 330.384 2.630 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cc2)CC1 ZINC001610619811 1098787169 /nfs/dbraw/zinc/78/71/69/1098787169.db2.gz BMXSKSOWCCGPLV-SFHVURJKSA-N -1 0 346.386 2.893 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC001610621909 1098787263 /nfs/dbraw/zinc/78/72/63/1098787263.db2.gz ZXIFUPFZGZZNBI-GOEBONIOSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CC1(CC(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001610619737 1098787855 /nfs/dbraw/zinc/78/78/55/1098787855.db2.gz QLQYXMZZTUZXOA-UHFFFAOYSA-N -1 0 340.301 2.812 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001610622901 1098788026 /nfs/dbraw/zinc/78/80/26/1098788026.db2.gz DLZSAPNFEJGBGG-UHFFFAOYSA-N -1 0 339.351 2.651 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001610621911 1098788171 /nfs/dbraw/zinc/78/81/71/1098788171.db2.gz ZXIFUPFZGZZNBI-ZBFHGGJFSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CC1(CC(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CC1 ZINC001610619987 1098788344 /nfs/dbraw/zinc/78/83/44/1098788344.db2.gz VEMJDVYNIWRJDK-UHFFFAOYSA-N -1 0 341.392 2.818 20 30 EFEDRM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001610624494 1098788790 /nfs/dbraw/zinc/78/87/90/1098788790.db2.gz VQPXVGFPQXLVMK-TWGQIWQCSA-N -1 0 347.323 2.563 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(NC3CC3)nc2)cccc1C(=O)[O-] ZINC001610624727 1098788881 /nfs/dbraw/zinc/78/88/81/1098788881.db2.gz CEJPUWFHBGIWFP-UHFFFAOYSA-N -1 0 337.335 2.583 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001610623672 1098788937 /nfs/dbraw/zinc/78/89/37/1098788937.db2.gz WPGLQUMVNPZLIB-JSGCOSHPSA-N -1 0 331.372 2.744 20 30 EFEDRM N#Cc1c(CN2CCO[C@@]3(CCc4ccccc43)C2)cccc1C(=O)[O-] ZINC001610623291 1098789272 /nfs/dbraw/zinc/78/92/72/1098789272.db2.gz LBRWBWFTTZWVTD-NRFANRHFSA-N -1 0 348.402 2.930 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001610623760 1098789559 /nfs/dbraw/zinc/78/95/59/1098789559.db2.gz ZIYMQXHFFCFDCU-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM N#Cc1c(CON=CC(=O)Nc2cccc(F)c2)cccc1C(=O)[O-] ZINC001610624720 1098789589 /nfs/dbraw/zinc/78/95/89/1098789589.db2.gz BXNVVBVJSIOPLK-UHFFFAOYSA-N -1 0 341.298 2.537 20 30 EFEDRM N#CCN(CCSc1ccnc2cc(Cl)ccc21)CC(=O)[O-] ZINC001610623171 1098789609 /nfs/dbraw/zinc/78/96/09/1098789609.db2.gz RXSXJCDVTQJMOP-UHFFFAOYSA-N -1 0 335.816 2.890 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001610624734 1098789646 /nfs/dbraw/zinc/78/96/46/1098789646.db2.gz CPSNMUHUDBOBJF-VIFPVBQESA-N -1 0 325.699 2.512 20 30 EFEDRM N#CCn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC001610623658 1098789831 /nfs/dbraw/zinc/78/98/31/1098789831.db2.gz RREJFUSCWWTJEP-KGLIPLIRSA-N -1 0 325.368 2.538 20 30 EFEDRM N#Cc1c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1C(=O)[O-] ZINC001610623881 1098789850 /nfs/dbraw/zinc/78/98/50/1098789850.db2.gz XVMQIXWPSMKRJM-IAGOWNOFSA-N -1 0 326.396 2.790 20 30 EFEDRM N#CCc1cccc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001610624512 1098790058 /nfs/dbraw/zinc/79/00/58/1098790058.db2.gz QSKFVSMFBZVPRE-LSDHHAIUSA-N -1 0 343.333 2.730 20 30 EFEDRM N#Cc1c(CSc2nnc3n2CCCCC3)cccc1C(=O)[O-] ZINC001610625528 1098790487 /nfs/dbraw/zinc/79/04/87/1098790487.db2.gz WUOUWCRZKMGPAS-UHFFFAOYSA-N -1 0 328.397 2.867 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1F ZINC001610624878 1098790595 /nfs/dbraw/zinc/79/05/95/1098790595.db2.gz DAMDTCXSTFSSQH-UHFFFAOYSA-N -1 0 339.326 2.598 20 30 EFEDRM N#Cc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)ccc1Cl ZINC001610625116 1098790732 /nfs/dbraw/zinc/79/07/32/1098790732.db2.gz ISFJILDQCDSDLD-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)cnc1C(F)(F)F ZINC001610624856 1098790757 /nfs/dbraw/zinc/79/07/57/1098790757.db2.gz CIAQJVZOXWEANR-UHFFFAOYSA-N -1 0 349.268 2.600 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)ccn1 ZINC001610624982 1098790776 /nfs/dbraw/zinc/79/07/76/1098790776.db2.gz FYNUNNXJRHHCDW-HNNXBMFYSA-N -1 0 329.400 2.887 20 30 EFEDRM N#Cc1c(COc2ccc(N3CCCC3=O)cc2)cccc1C(=O)[O-] ZINC001610625626 1098790875 /nfs/dbraw/zinc/79/08/75/1098790875.db2.gz YWYPYJZYCYKAKJ-UHFFFAOYSA-N -1 0 336.347 2.962 20 30 EFEDRM N#Cc1c(COC(=O)c2scnc2C2CC2)cccc1C(=O)[O-] ZINC001610624881 1098790903 /nfs/dbraw/zinc/79/09/03/1098790903.db2.gz HXEIILQWDXHBFT-UHFFFAOYSA-N -1 0 328.349 2.947 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c[nH]1 ZINC001610625324 1098791006 /nfs/dbraw/zinc/79/10/06/1098791006.db2.gz NKUWJBMYHGXWCG-LBPRGKRZSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1ccc(COC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001610627311 1098792145 /nfs/dbraw/zinc/79/21/45/1098792145.db2.gz WFXGBSVRWWICIK-UHFFFAOYSA-N -1 0 334.331 2.955 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)CCCC(=O)[O-])s2)cc1 ZINC001610627099 1098792579 /nfs/dbraw/zinc/79/25/79/1098792579.db2.gz MDFFBCVDOWQNJD-UHFFFAOYSA-N -1 0 329.381 2.799 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CCOc3c(C(=O)[O-])cccc32)cc1 ZINC001610627896 1098792993 /nfs/dbraw/zinc/79/29/93/1098792993.db2.gz UGTMOIMXJRTLPB-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001610627187 1098793108 /nfs/dbraw/zinc/79/31/08/1098793108.db2.gz QDLLDVYJAMOTLK-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610630851 1098793514 /nfs/dbraw/zinc/79/35/14/1098793514.db2.gz DKEHXRHPZYWJFE-GOSISDBHSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC001610628697 1098793840 /nfs/dbraw/zinc/79/38/40/1098793840.db2.gz NKSCQCBDLGCMGD-CQSZACIVSA-N -1 0 339.376 2.549 20 30 EFEDRM N#Cc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610628204 1098794374 /nfs/dbraw/zinc/79/43/74/1098794374.db2.gz RLLNJQDDGJMHTF-QGZVFWFLSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1cccc(COc2ccc(Br)nc2C(=O)[O-])c1 ZINC001610631205 1098794404 /nfs/dbraw/zinc/79/44/04/1098794404.db2.gz RPHKEMCSIJMWOO-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1cccc(C2(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)c1 ZINC001610632085 1098795101 /nfs/dbraw/zinc/79/51/01/1098795101.db2.gz QVVXHLRUOLIPKW-UHFFFAOYSA-N -1 0 336.347 2.692 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC001610632681 1098795172 /nfs/dbraw/zinc/79/51/72/1098795172.db2.gz ZZGYMFYQZBTGIV-INIZCTEOSA-N -1 0 349.264 2.887 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2ccc(F)cc2F)C(=O)[O-])c1 ZINC001610632500 1098795656 /nfs/dbraw/zinc/79/56/56/1098795656.db2.gz XRDFIEHYIVKJET-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2ccc3c(c2)COC3)C(=O)[O-])c1 ZINC001610632048 1098795821 /nfs/dbraw/zinc/79/58/21/1098795821.db2.gz QKGUBWNJXDCUFX-GOSISDBHSA-N -1 0 337.331 2.500 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001610632296 1098796090 /nfs/dbraw/zinc/79/60/90/1098796090.db2.gz UZLAFYIWYRYNPB-SFHVURJKSA-N -1 0 336.391 2.693 20 30 EFEDRM N#Cc1csc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001610634148 1098796941 /nfs/dbraw/zinc/79/69/41/1098796941.db2.gz MUYIYOQUEHUQHX-QWHCGFSZSA-N -1 0 349.362 2.593 20 30 EFEDRM N#Cc1ccncc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001610633447 1098797616 /nfs/dbraw/zinc/79/76/16/1098797616.db2.gz MOXUZBBXBGPFEU-UHFFFAOYSA-N -1 0 349.390 2.746 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)o1 ZINC001610650764 1098802212 /nfs/dbraw/zinc/80/22/12/1098802212.db2.gz JSIQCTHSJWFOJF-DJWKRKHSSA-N -1 0 345.326 2.850 20 30 EFEDRM O=C([O-])COc1ccc(C=NN[C@@H]2CCc3c2cccc3F)cc1 ZINC001610786291 1098884954 /nfs/dbraw/zinc/88/49/54/1098884954.db2.gz CCIHIMFEMNADJQ-QGZVFWFLSA-N -1 0 328.343 2.900 20 30 EFEDRM O=C([O-])c1ccc(OCCON=C2CCCOCC2)c(Cl)c1 ZINC001610838333 1098925020 /nfs/dbraw/zinc/92/50/20/1098925020.db2.gz VOTLRXHBKXQLTE-UHFFFAOYSA-N -1 0 327.764 2.990 20 30 EFEDRM O=C([O-])c1coc(/C=C\C(=O)c2c(F)cccc2N2CCOCC2)c1 ZINC001610867346 1098946094 /nfs/dbraw/zinc/94/60/94/1098946094.db2.gz ZRXMBQPNNFSUIP-PLNGDYQASA-N -1 0 345.326 2.850 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1CC#N ZINC001624918007 1099748588 /nfs/dbraw/zinc/74/85/88/1099748588.db2.gz UJFMYJZUBZARGI-UHFFFAOYSA-N -1 0 338.392 2.735 20 30 EFEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234033 1100077757 /nfs/dbraw/zinc/07/77/57/1100077757.db2.gz ZGLVXVMNRXGWMP-UHFFFAOYSA-N -1 0 340.382 2.934 20 30 EFEDRM COc1cc2[n-]cc(C(=O)Nc3cccc(C#N)c3)c(=O)c2c(OC)c1 ZINC001628302339 1100088120 /nfs/dbraw/zinc/08/81/20/1100088120.db2.gz RPTNCJLISCUCKP-UHFFFAOYSA-N -1 0 349.346 2.669 20 30 EFEDRM N#CCC[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC001632266624 1100463950 /nfs/dbraw/zinc/46/39/50/1100463950.db2.gz NEFYTRZDOBIYMD-INIZCTEOSA-N -1 0 348.362 2.805 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccc(F)cc3)nc2)[n-]c1C#N ZINC001639319134 1100938422 /nfs/dbraw/zinc/93/84/22/1100938422.db2.gz MDUVINJESFSSPZ-UHFFFAOYSA-N -1 0 348.297 2.732 20 30 EFEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000065763083 1101322000 /nfs/dbraw/zinc/32/20/00/1101322000.db2.gz OEQSYZZMDKPRGL-UHFFFAOYSA-N -1 0 340.382 2.912 20 30 EFEDRM N#Cc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001209616283 1101977706 /nfs/dbraw/zinc/97/77/06/1101977706.db2.gz QKFZBQHLDAJZOT-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c(C)cccc1O ZINC001271661723 1102226293 /nfs/dbraw/zinc/22/62/93/1102226293.db2.gz YCNVHZRRCGXLRF-HXUWFJFHSA-N -1 0 342.439 2.874 20 30 EFEDRM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1c(C)cccc1O)CC2 ZINC001271661457 1102226743 /nfs/dbraw/zinc/22/67/43/1102226743.db2.gz XDGGURNXBHRRAO-HNNXBMFYSA-N -1 0 342.439 2.635 20 30 EFEDRM C=C(C)C(=O)OCCNc1cc(Br)cc(C(=O)[O-])c1 ZINC001168073623 1102424237 /nfs/dbraw/zinc/42/42/37/1102424237.db2.gz MNXLNCJJWDHILF-UHFFFAOYSA-N -1 0 328.162 2.679 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cc(OC)cc(C(=O)[O-])c1 ZINC001213585579 1102537112 /nfs/dbraw/zinc/53/71/12/1102537112.db2.gz YDLKUMDVGHRMGX-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000075778464 1102572629 /nfs/dbraw/zinc/57/26/29/1102572629.db2.gz WKTMWHAGSHYXDD-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cn1c(N=NCc2ccc([N+](=O)[O-])c([O-])c2)nnc1-c1ccccc1 ZINC000748134417 1102702920 /nfs/dbraw/zinc/70/29/20/1102702920.db2.gz XAKYHNBWRCGDLD-UHFFFAOYSA-N -1 0 338.327 2.542 20 30 EFEDRM CCOCc1nc(C)cc(NN=C(C)c2csc(C(=O)[O-])c2)n1 ZINC000905503154 1103247595 /nfs/dbraw/zinc/24/75/95/1103247595.db2.gz PAXPRFZAUKOZMU-UHFFFAOYSA-N -1 0 334.401 2.917 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000906072814 1103902583 /nfs/dbraw/zinc/90/25/83/1103902583.db2.gz LEIVOHKSSDNJKU-UHFFFAOYSA-N -1 0 336.442 2.687 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000906074442 1103904716 /nfs/dbraw/zinc/90/47/16/1103904716.db2.gz VHHWOZIGYKCFDY-UHFFFAOYSA-N -1 0 334.422 2.918 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1scc(C)c1C#N)C1CCCC1 ZINC000906073566 1103904795 /nfs/dbraw/zinc/90/47/95/1103904795.db2.gz PSCDJNMSDRWPSP-CYBMUJFWSA-N -1 0 328.459 2.875 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000906074926 1103905065 /nfs/dbraw/zinc/90/50/65/1103905065.db2.gz WNQMIRXPEWLZOX-UHFFFAOYSA-N -1 0 348.405 2.638 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c(C#N)c1C ZINC000903168829 1107055255 /nfs/dbraw/zinc/05/52/55/1107055255.db2.gz QXSKFGZHPXYHDI-UHFFFAOYSA-N -1 0 338.458 2.890 20 30 EFEDRM Cc1nc(N[C@H](C)C[C@H](C)NC(=O)c2ccccc2O)ccc1C#N ZINC001089244005 1108164577 /nfs/dbraw/zinc/16/45/77/1108164577.db2.gz LTGOPQGJLBCUHS-OLZOCXBDSA-N -1 0 338.411 2.976 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCN2C(=O)CCc3ccccc32)c1 ZINC000176400818 1108455201 /nfs/dbraw/zinc/45/52/01/1108455201.db2.gz KNIIMVCUBNYXGK-UHFFFAOYSA-N -1 0 335.363 2.572 20 30 EFEDRM COCCCOc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176402869 1108456666 /nfs/dbraw/zinc/45/66/66/1108456666.db2.gz AOTRTVGCWFGDCX-UHFFFAOYSA-N -1 0 326.352 2.931 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000176499803 1108721872 /nfs/dbraw/zinc/72/18/72/1108721872.db2.gz SGMVGDDYPNZPKB-UHFFFAOYSA-N -1 0 340.401 2.712 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c(C2CC2)n1 ZINC000899340536 1109293540 /nfs/dbraw/zinc/29/35/40/1109293540.db2.gz FBBHGMUVJIJCNL-FPLPWBNLSA-N -1 0 326.352 2.657 20 30 EFEDRM CCn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000899388152 1109306375 /nfs/dbraw/zinc/30/63/75/1109306375.db2.gz YPSBDHYUMHASGY-VOTSOKGWSA-N -1 0 329.356 2.680 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C)/C(=C/c1cc(C(=O)[O-])nn1C)C2=O ZINC000899392887 1109313131 /nfs/dbraw/zinc/31/31/31/1109313131.db2.gz XNYPUNKMGKGIMM-IIBSKXHVSA-N -1 0 326.352 2.585 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1C(F)(F)F ZINC000042315413 1109614529 /nfs/dbraw/zinc/61/45/29/1109614529.db2.gz FGALFVALQQGDJZ-UHFFFAOYSA-N -1 0 344.270 2.864 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176539756 1111130916 /nfs/dbraw/zinc/13/09/16/1111130916.db2.gz MNJXPOHMSHKQJI-KRWDZBQOSA-N -1 0 349.390 2.627 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916887555 1111994678 /nfs/dbraw/zinc/99/46/78/1111994678.db2.gz XIESTEOENJJLFZ-INIZCTEOSA-N -1 0 344.374 2.716 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916887556 1111994995 /nfs/dbraw/zinc/99/49/95/1111994995.db2.gz XIESTEOENJJLFZ-MRXNPFEDSA-N -1 0 344.374 2.716 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1C ZINC000916872821 1111995590 /nfs/dbraw/zinc/99/55/90/1111995590.db2.gz OPUXQFDEGVEWAE-ZDUSSCGKSA-N -1 0 336.457 2.873 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(Cc2ccccc2)nc1C ZINC000916920575 1111997558 /nfs/dbraw/zinc/99/75/58/1111997558.db2.gz HJJDARZHWIKQMN-CQSZACIVSA-N -1 0 339.420 2.667 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(O[C@H](C)c2ccccc2)nc1 ZINC000916922370 1111998292 /nfs/dbraw/zinc/99/82/92/1111998292.db2.gz XCBHERPTSBJSNK-PBHICJAKSA-N -1 0 349.390 2.846 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)s1 ZINC000916929669 1112000600 /nfs/dbraw/zinc/00/06/00/1112000600.db2.gz NTNNTSXBRWTPGA-NSHDSACASA-N -1 0 342.376 2.920 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)cc2)cc1 ZINC000155003047 1112246231 /nfs/dbraw/zinc/24/62/31/1112246231.db2.gz GJKHPIQBKGQVLD-GOSISDBHSA-N -1 0 336.391 2.685 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C#N)CCCCC2)n1 ZINC000920673776 1112344070 /nfs/dbraw/zinc/34/40/70/1112344070.db2.gz WYJSKLGNGGUDQL-LBPRGKRZSA-N -1 0 331.397 2.645 20 30 EFEDRM C#CCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000920987634 1112353466 /nfs/dbraw/zinc/35/34/66/1112353466.db2.gz ODPMFPKOWVJOLL-UHFFFAOYSA-N -1 0 335.388 2.579 20 30 EFEDRM C=CCCCCCN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000175369941 1112415918 /nfs/dbraw/zinc/41/59/18/1112415918.db2.gz YLLDOMFCCGUXPS-UHFFFAOYSA-N -1 0 345.468 2.890 20 30 EFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622496 1117955641 /nfs/dbraw/zinc/95/56/41/1117955641.db2.gz VTAIFZZXGIWEFD-QWRGUYRKSA-N -1 0 337.319 2.776 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OC1CCCC1 ZINC000130999608 1118705146 /nfs/dbraw/zinc/70/51/46/1118705146.db2.gz LMXYMVSWYHAORU-OAHLLOKOSA-N -1 0 344.411 2.864 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131022106 1118741813 /nfs/dbraw/zinc/74/18/13/1118741813.db2.gz VJQRFLFTBKGAGW-CYBMUJFWSA-N -1 0 327.365 2.560 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)OCC(C)(C)CC#N)cc2[n-]c1=S ZINC000184768339 1119455740 /nfs/dbraw/zinc/45/57/40/1119455740.db2.gz KBRGZWIZRWGHGI-UHFFFAOYSA-N -1 0 345.424 2.802 20 30 EFEDRM C#CCCCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000185332169 1120023015 /nfs/dbraw/zinc/02/30/15/1120023015.db2.gz LNNIYVVERIEELF-UHFFFAOYSA-N -1 0 330.409 2.573 20 30 EFEDRM Cc1nn(C)c(C)c1C(=N[N-]c1nc(C)cc(C)n1)C(F)(F)F ZINC000733901707 1120197195 /nfs/dbraw/zinc/19/71/95/1120197195.db2.gz FCBJQDYTIAGCLS-UHFFFAOYSA-N -1 0 326.326 2.822 20 30 EFEDRM Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000073086695 1120535023 /nfs/dbraw/zinc/53/50/23/1120535023.db2.gz ADQGORWLOBNTFE-UHFFFAOYSA-N -1 0 348.211 2.729 20 30 EFEDRM N#CCOc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185790160 1120622558 /nfs/dbraw/zinc/62/25/58/1120622558.db2.gz OCQCPCVXGNRWFK-UHFFFAOYSA-N -1 0 336.269 2.642 20 30 EFEDRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000052557295 214133723 /nfs/dbraw/zinc/13/37/23/214133723.db2.gz HTGFJQDRMDWZTP-NSHDSACASA-N -1 0 337.383 2.857 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCc3sccc32)cc1C#N ZINC000137378424 295672548 /nfs/dbraw/zinc/67/25/48/295672548.db2.gz YWGRWLPXTJUZEL-LBPRGKRZSA-N -1 0 345.449 2.837 20 30 EFEDRM Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000003278305 209994818 /nfs/dbraw/zinc/99/48/18/209994818.db2.gz POOIMJUKNIJCDY-UHFFFAOYSA-N -1 0 341.392 2.999 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OC(F)(F)F)cc1 ZINC000103502662 219308477 /nfs/dbraw/zinc/30/84/77/219308477.db2.gz SOHRYLFWFCFVOC-GFCCVEGCSA-N -1 0 326.274 2.530 20 30 EFEDRM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000103841181 219325918 /nfs/dbraw/zinc/32/59/18/219325918.db2.gz GPJGXGYXIHOPHI-JHTBKMLMSA-N -1 0 344.363 2.712 20 30 EFEDRM O=C([O-])C1(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000262566209 240359183 /nfs/dbraw/zinc/35/91/83/240359183.db2.gz XXXWUAQSMONITI-UHFFFAOYSA-N -1 0 339.313 2.818 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccsc2)c1 ZINC000066241951 238784655 /nfs/dbraw/zinc/78/46/55/238784655.db2.gz JAIWYMGLPCIDLX-UHFFFAOYSA-N -1 0 344.421 2.665 20 30 EFEDRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000155009443 238949437 /nfs/dbraw/zinc/94/94/37/238949437.db2.gz UNGUEPDNJRQABX-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)o1 ZINC000175097385 239254638 /nfs/dbraw/zinc/25/46/38/239254638.db2.gz QVSRBCCZVDCOFK-CYBMUJFWSA-N -1 0 348.366 2.897 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000193708826 240121885 /nfs/dbraw/zinc/12/18/85/240121885.db2.gz CRGINASCHRALIH-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000194999911 240195252 /nfs/dbraw/zinc/19/52/52/240195252.db2.gz WVGFBMSIUHPECR-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000224402140 240232101 /nfs/dbraw/zinc/23/21/01/240232101.db2.gz AYARBDJUPMVGIW-MRVPVSSYSA-N -1 0 335.198 2.941 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cc3ccon3)c2)c1 ZINC000238200066 240250590 /nfs/dbraw/zinc/25/05/90/240250590.db2.gz GFXYCADQMGGLJW-UHFFFAOYSA-N -1 0 346.342 2.954 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000237482237 240243666 /nfs/dbraw/zinc/24/36/66/240243666.db2.gz XEQOVMKLVYOZMM-SECBINFHSA-N -1 0 331.290 2.721 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)[O-] ZINC000262801013 240369323 /nfs/dbraw/zinc/36/93/23/240369323.db2.gz CRKYYYRGEXNWMJ-INIZCTEOSA-N -1 0 327.380 3.000 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@](C)(CCC)C(=O)[O-])c(OC)c1 ZINC000262227093 240345008 /nfs/dbraw/zinc/34/50/08/240345008.db2.gz NTNMPSXPJLCRMC-GOSISDBHSA-N -1 0 335.400 2.562 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000262899636 240371718 /nfs/dbraw/zinc/37/17/18/240371718.db2.gz IBCBYNAHFCOJTB-IBGZPJMESA-N -1 0 347.411 2.833 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000262845106 240372264 /nfs/dbraw/zinc/37/22/64/240372264.db2.gz HGUUYWRXXZPYMH-OAHLLOKOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000262845104 240372674 /nfs/dbraw/zinc/37/26/74/240372674.db2.gz HGUUYWRXXZPYMH-HNNXBMFYSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000262870520 240372823 /nfs/dbraw/zinc/37/28/23/240372823.db2.gz BIWXRQPRANWSEZ-CYBMUJFWSA-N -1 0 341.791 2.513 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262946145 240375069 /nfs/dbraw/zinc/37/50/69/240375069.db2.gz AGVPUENVEZMRKJ-OAHLLOKOSA-N -1 0 331.416 2.654 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000262920558 240375080 /nfs/dbraw/zinc/37/50/80/240375080.db2.gz NXWADASUKHAFOS-INIZCTEOSA-N -1 0 341.411 2.947 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000262916267 240375465 /nfs/dbraw/zinc/37/54/65/240375465.db2.gz NQBDRQDLIPSFAV-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(C)c2)CCCCC1)C(=O)[O-] ZINC000262915351 240375542 /nfs/dbraw/zinc/37/55/42/240375542.db2.gz FSERXLGKVXUUCS-QGZVFWFLSA-N -1 0 345.439 2.969 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262931546 240375697 /nfs/dbraw/zinc/37/56/97/240375697.db2.gz OYHWJTZYYVLQFO-NSHDSACASA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000263006883 240376006 /nfs/dbraw/zinc/37/60/06/240376006.db2.gz MULGUVOMBLKCEU-HNNXBMFYSA-N -1 0 337.441 2.558 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000263032101 240377128 /nfs/dbraw/zinc/37/71/28/240377128.db2.gz YXMFITSQPLRFBN-LBPRGKRZSA-N -1 0 334.397 2.790 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc(OC)c1OC ZINC000263098927 240377392 /nfs/dbraw/zinc/37/73/92/240377392.db2.gz AVHGQKDMFHUQBG-WFASDCNBSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000263033122 240378293 /nfs/dbraw/zinc/37/82/93/240378293.db2.gz OTAPFCZHZNKQRX-GFCCVEGCSA-N -1 0 337.372 2.734 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263025303 240378484 /nfs/dbraw/zinc/37/84/84/240378484.db2.gz ODKAKBGUGOPLMZ-IUODEOHRSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C)c21)C(=O)[O-] ZINC000263026418 240378543 /nfs/dbraw/zinc/37/85/43/240378543.db2.gz YMPFWEANRQMVCD-GFCCVEGCSA-N -1 0 329.356 2.558 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263155812 240379210 /nfs/dbraw/zinc/37/92/10/240379210.db2.gz XRODWIAFBHLDFR-HNNXBMFYSA-N -1 0 343.379 2.949 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263115877 240381177 /nfs/dbraw/zinc/38/11/77/240381177.db2.gz BZQRWGJGFSRMDN-KBPBESRZSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263362909 240382673 /nfs/dbraw/zinc/38/26/73/240382673.db2.gz KTWKWUPUYZCVHD-UHFFFAOYSA-N -1 0 332.400 2.694 20 30 EFEDRM N#CCCC[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263390760 240383380 /nfs/dbraw/zinc/38/33/80/240383380.db2.gz QKKXVIOWTNEYIJ-JKSUJKDBSA-N -1 0 329.400 2.928 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000263516729 240384670 /nfs/dbraw/zinc/38/46/70/240384670.db2.gz DZFCJJHXQVXIOP-GFCCVEGCSA-N -1 0 331.290 2.663 20 30 EFEDRM CC(C)CCOc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cc1 ZINC000269122586 240567378 /nfs/dbraw/zinc/56/73/78/240567378.db2.gz LDEXYMKWQYQZTN-VMPITWQZSA-N -1 0 343.383 2.684 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2=O)cc1 ZINC000277533124 240783040 /nfs/dbraw/zinc/78/30/40/240783040.db2.gz MTEIYKWDUXAFIE-MRXNPFEDSA-N -1 0 338.411 2.628 20 30 EFEDRM CC(=O)N1CCC[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000280911911 240896624 /nfs/dbraw/zinc/89/66/24/240896624.db2.gz GOENQHKMPBHKEN-SXGUVYOMSA-N -1 0 339.779 2.631 20 30 EFEDRM C#CCO[C@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000295456402 241052869 /nfs/dbraw/zinc/05/28/69/241052869.db2.gz HMGYOHQNULUDJY-SSDOTTSWSA-N -1 0 332.581 2.785 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC000301766100 241190706 /nfs/dbraw/zinc/19/07/06/241190706.db2.gz UGBKIKSSDLDCGR-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000324934837 241206312 /nfs/dbraw/zinc/20/63/12/241206312.db2.gz YNUBLUJSZNOHGN-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328815275 241246291 /nfs/dbraw/zinc/24/62/91/241246291.db2.gz GOYSHAWMJQKZPE-CHWSQXEVSA-N -1 0 330.413 2.520 20 30 EFEDRM Cc1nc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c(C)o1 ZINC000328830940 241252711 /nfs/dbraw/zinc/25/27/11/241252711.db2.gz KEEOKNILXHGGRN-UHFFFAOYSA-N -1 0 332.404 2.940 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)nc(C)n1 ZINC000328853346 241254446 /nfs/dbraw/zinc/25/44/46/241254446.db2.gz WBGKTDMOYMUXBO-WCQYABFASA-N -1 0 328.397 2.892 20 30 EFEDRM [O-]C(=Nc1nc2ccsc2s1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329448112 241373188 /nfs/dbraw/zinc/37/31/88/241373188.db2.gz MIBMUTWLGNZLSN-WDEREUQCSA-N -1 0 339.442 2.783 20 30 EFEDRM CSc1nc(=NC(=O)N2CCC[C@@H]2C2CCOCC2)s[n-]1 ZINC000329516206 241385472 /nfs/dbraw/zinc/38/54/72/241385472.db2.gz YVBSPWQORKJGAL-SNVBAGLBSA-N -1 0 328.463 2.697 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NCc2cccc3c2OCO3)s[n-]1 ZINC000329308818 241344517 /nfs/dbraw/zinc/34/45/17/241344517.db2.gz BTQOSXHHGMGZLW-UHFFFAOYSA-N -1 0 334.401 2.512 20 30 EFEDRM Cn1cc(Br)cc(N=C([O-])N2CC[C@@H]3CCC[C@H]32)c1=O ZINC000330252180 241515866 /nfs/dbraw/zinc/51/58/66/241515866.db2.gz ODGLSKZITZSQRO-JOYOIKCWSA-N -1 0 340.221 2.568 20 30 EFEDRM C=CCN1CC[C@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1=O ZINC000331402124 241628374 /nfs/dbraw/zinc/62/83/74/241628374.db2.gz SOELGWLHARVRIC-LBPRGKRZSA-N -1 0 338.502 2.584 20 30 EFEDRM COCc1nc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cs1 ZINC000340076403 241778438 /nfs/dbraw/zinc/77/84/38/241778438.db2.gz IYKCPXRCHKHRSN-UHFFFAOYSA-N -1 0 334.445 2.994 20 30 EFEDRM C=CCNC(=O)C(C)=S([O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000349677246 241874911 /nfs/dbraw/zinc/87/49/11/241874911.db2.gz FWSHIOVHXQDTRB-STFLBKPXSA-N -1 0 338.429 2.748 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cn1 ZINC000349942867 241878411 /nfs/dbraw/zinc/87/84/11/241878411.db2.gz GZEIMGDHXKKZIJ-UHFFFAOYSA-N -1 0 349.437 2.897 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000350669280 241886764 /nfs/dbraw/zinc/88/67/64/241886764.db2.gz YIBGVDNCMJIGQT-NSHDSACASA-N -1 0 348.428 2.554 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350653020 241886965 /nfs/dbraw/zinc/88/69/65/241886965.db2.gz LHDOJINXTURCTB-LBPRGKRZSA-N -1 0 332.429 2.888 20 30 EFEDRM C=CCn1c(COc2ccccc2F)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000351075833 241896483 /nfs/dbraw/zinc/89/64/83/241896483.db2.gz QOTXGSKFEQFKIU-UHFFFAOYSA-N -1 0 342.378 2.688 20 30 EFEDRM C=C(CNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccccc1 ZINC000352190285 241921270 /nfs/dbraw/zinc/92/12/70/241921270.db2.gz BWLVHYWMGNFKBT-UHFFFAOYSA-N -1 0 335.381 2.586 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1cccc(Cl)c1 ZINC000354460678 242001760 /nfs/dbraw/zinc/00/17/60/242001760.db2.gz FFILQFFRIRTGAO-CYBMUJFWSA-N -1 0 338.758 2.509 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccncn1 ZINC000354473818 242001831 /nfs/dbraw/zinc/00/18/31/242001831.db2.gz WHPDUUMPNATFLV-JTQLQIEISA-N -1 0 336.229 2.894 20 30 EFEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000354463372 241999345 /nfs/dbraw/zinc/99/93/45/241999345.db2.gz HYJFAMPIQAZBGE-LBPRGKRZSA-N -1 0 339.380 2.585 20 30 EFEDRM N#CC(=C([O-])c1csc(-c2ncccc2F)n1)c1ccncn1 ZINC000354467240 242000115 /nfs/dbraw/zinc/00/01/15/242000115.db2.gz KTODHMPYAZKBEO-SECBINFHSA-N -1 0 325.328 2.624 20 30 EFEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)c2ccncn2)c2c1CCC2 ZINC000354463953 242000945 /nfs/dbraw/zinc/00/09/45/242000945.db2.gz JOZXKMBSTYPFSH-OAHLLOKOSA-N -1 0 343.390 2.950 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)CC(C)(C)C#N)n1 ZINC000353165716 241961677 /nfs/dbraw/zinc/96/16/77/241961677.db2.gz UMMWUPGTRLBJMA-UHFFFAOYSA-N -1 0 330.363 2.647 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccccc2CC#N)ccc1C(=O)[O-] ZINC000355851445 242049742 /nfs/dbraw/zinc/04/97/42/242049742.db2.gz YGHZRFGYUVPXFT-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355879893 242050416 /nfs/dbraw/zinc/05/04/16/242050416.db2.gz HFADPZNBXDVIKU-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1cnc2ccccc2n1 ZINC000355402237 242032160 /nfs/dbraw/zinc/03/21/60/242032160.db2.gz BDQXCPBJBQRBTA-GFCCVEGCSA-N -1 0 340.346 2.905 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000355402826 242032911 /nfs/dbraw/zinc/03/29/11/242032911.db2.gz MDXPKMRJNWUDNN-UHFFFAOYSA-N -1 0 347.440 2.975 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000355474765 242035169 /nfs/dbraw/zinc/03/51/69/242035169.db2.gz VWOGIBIZZRANDQ-UHFFFAOYSA-N -1 0 329.805 2.686 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000357823765 242106280 /nfs/dbraw/zinc/10/62/80/242106280.db2.gz ULZYSPQADZHFAH-GFCCVEGCSA-N -1 0 329.381 2.586 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(-c2ccncc2)cs1 ZINC000358647483 242126843 /nfs/dbraw/zinc/12/68/43/242126843.db2.gz GHGIAQFJNLKJIL-LBPRGKRZSA-N -1 0 346.375 2.738 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000357436815 242095372 /nfs/dbraw/zinc/09/53/72/242095372.db2.gz KIQHRGVDPQJYIV-UHFFFAOYSA-N -1 0 339.351 2.945 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(C#N)cc1N(C)C ZINC000357461522 242097826 /nfs/dbraw/zinc/09/78/26/242097826.db2.gz CSPJIXHZVKYZER-UHFFFAOYSA-N -1 0 347.444 2.511 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000360168781 242188184 /nfs/dbraw/zinc/18/81/84/242188184.db2.gz ARXJSZORJADKCG-UHFFFAOYSA-N -1 0 327.768 2.913 20 30 EFEDRM Cn1nnc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc21 ZINC000362115503 242243321 /nfs/dbraw/zinc/24/33/21/242243321.db2.gz DGOSSENQPSIEAA-LLVKDONJSA-N -1 0 345.284 2.872 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1F ZINC000362576397 242261188 /nfs/dbraw/zinc/26/11/88/242261188.db2.gz NJNAGYGEKAHALA-HNNXBMFYSA-N -1 0 336.326 2.712 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000362811994 242268449 /nfs/dbraw/zinc/26/84/49/242268449.db2.gz GFUZQBFJFAXYEU-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM Cn1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1[N+](=O)[O-] ZINC000362130105 242243877 /nfs/dbraw/zinc/24/38/77/242243877.db2.gz PHNKSCJYUPJHRJ-SECBINFHSA-N -1 0 338.245 2.837 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(Cc3ccccc3F)s2)CCC1 ZINC000416808267 244850386 /nfs/dbraw/zinc/85/03/86/244850386.db2.gz HWEUTPIUWKNMER-UHFFFAOYSA-N -1 0 345.403 2.505 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262232596 244877084 /nfs/dbraw/zinc/87/70/84/244877084.db2.gz VMEJHLNLLZZZIH-SNVBAGLBSA-N -1 0 327.764 2.723 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1nn([C@H](C)c2ccccc2)cc1C ZINC000416954829 244931307 /nfs/dbraw/zinc/93/13/07/244931307.db2.gz JAJJBQFORXFVKK-HIFRSBDPSA-N -1 0 332.429 2.845 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1OCC(F)(F)F ZINC000416959818 244935055 /nfs/dbraw/zinc/93/50/55/244935055.db2.gz ZIURLUBXTHZGRQ-SECBINFHSA-N -1 0 340.298 2.811 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000263010082 245296733 /nfs/dbraw/zinc/29/67/33/245296733.db2.gz PNMPIEDNEXYZBU-GRDNDAEWSA-N -1 0 345.395 2.585 20 30 EFEDRM N#CCc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000078733082 217111242 /nfs/dbraw/zinc/11/12/42/217111242.db2.gz JSYKKXMHTHCQAL-UHFFFAOYSA-N -1 0 334.375 2.951 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000111561926 220165274 /nfs/dbraw/zinc/16/52/74/220165274.db2.gz SDSCKHZNXZGRIE-WDEREUQCSA-N -1 0 345.284 2.914 20 30 EFEDRM C[C@H](O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000421806709 246123564 /nfs/dbraw/zinc/12/35/64/246123564.db2.gz MLMGHYNNPVXPFR-UWVGGRQHSA-N -1 0 336.413 2.705 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC000425248914 247014978 /nfs/dbraw/zinc/01/49/78/247014978.db2.gz CPLMVELUWDANLY-SECBINFHSA-N -1 0 332.219 2.968 20 30 EFEDRM C=CCC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCOCC1 ZINC000425246219 247015183 /nfs/dbraw/zinc/01/51/83/247015183.db2.gz VOSSBYNJPOKVQR-INIZCTEOSA-N -1 0 329.396 2.570 20 30 EFEDRM Cc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)c(F)c1)OCO2 ZINC000427346806 247341212 /nfs/dbraw/zinc/34/12/12/247341212.db2.gz XUZVTBMSKZLKSX-UHFFFAOYSA-N -1 0 334.328 2.535 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427099859 247316603 /nfs/dbraw/zinc/31/66/03/247316603.db2.gz JNNQEFCTPZGBSO-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427107737 247318472 /nfs/dbraw/zinc/31/84/72/247318472.db2.gz NQIZPLQZWMMZCZ-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(OC)c1 ZINC000427125278 247320218 /nfs/dbraw/zinc/32/02/18/247320218.db2.gz AWYZQLRJHPHBLF-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427121115 247320222 /nfs/dbraw/zinc/32/02/22/247320222.db2.gz GUBZEDADUFBIPP-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3cccc(C#N)c3)noc2c1 ZINC000427803995 247395423 /nfs/dbraw/zinc/39/54/23/247395423.db2.gz XBVQCFRXSYTMOR-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2n1 ZINC000433109874 248018211 /nfs/dbraw/zinc/01/82/11/248018211.db2.gz MENXDJOIURSKNK-LLVKDONJSA-N -1 0 345.284 2.942 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]c(Cc3ccc(F)cc3)no2)c(F)c1 ZINC000433791774 248089654 /nfs/dbraw/zinc/08/96/54/248089654.db2.gz JUZVTCDVEPGVDY-UHFFFAOYSA-N -1 0 326.306 2.844 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3cc(C)cc(F)c3)nn2)n1 ZINC000434613590 248169710 /nfs/dbraw/zinc/16/97/10/248169710.db2.gz CKMLKHFCGKYULB-CYBMUJFWSA-N -1 0 341.371 2.970 20 30 EFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435177140 248216628 /nfs/dbraw/zinc/21/66/28/248216628.db2.gz LIVXTZNQESCMAJ-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435501331 248245691 /nfs/dbraw/zinc/24/56/91/248245691.db2.gz KYPKCWZQQROPAD-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000435489952 248246108 /nfs/dbraw/zinc/24/61/08/248246108.db2.gz MOOFJJDUMZOZFI-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435504181 248247483 /nfs/dbraw/zinc/24/74/83/248247483.db2.gz YNNRQJPRVDKQIT-UHFFFAOYSA-N -1 0 342.373 2.577 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436626068 249555886 /nfs/dbraw/zinc/55/58/86/249555886.db2.gz GXABDUDEMHSMIU-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000439246578 249809155 /nfs/dbraw/zinc/80/91/55/249809155.db2.gz LIFMWRSHZWDRQP-UHFFFAOYSA-N -1 0 337.351 2.987 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1C#N ZINC000441332850 250019243 /nfs/dbraw/zinc/01/92/43/250019243.db2.gz MZOMAYJDKMEURI-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000442110665 250066404 /nfs/dbraw/zinc/06/64/04/250066404.db2.gz RLNWBIQKPFLJLZ-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1nnc(-c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)n1C ZINC000442670969 250099114 /nfs/dbraw/zinc/09/91/14/250099114.db2.gz KPJKPULNJWICIP-UHFFFAOYSA-N -1 0 333.351 2.620 20 30 EFEDRM COc1cc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)ccc1C#N ZINC000443068985 250157369 /nfs/dbraw/zinc/15/73/69/250157369.db2.gz JCVSGDUGZPEBSA-UHFFFAOYSA-N -1 0 338.342 2.714 20 30 EFEDRM CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(C#N)c1 ZINC000532090508 269682550 /nfs/dbraw/zinc/68/25/50/269682550.db2.gz JGGLSISXSOYHQY-UHFFFAOYSA-N -1 0 336.326 2.865 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC)n2)n1 ZINC000453628837 252056884 /nfs/dbraw/zinc/05/68/84/252056884.db2.gz OCDZCWPAYRCJQZ-LLVKDONJSA-N -1 0 329.381 2.767 20 30 EFEDRM CC(C)n1cccc1C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000097031971 258068022 /nfs/dbraw/zinc/06/80/22/258068022.db2.gz GIYVNXCHBIDSPN-UHFFFAOYSA-N -1 0 335.429 2.750 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000041494671 292008603 /nfs/dbraw/zinc/00/86/03/292008603.db2.gz ZBOQWNFZYVAOGS-VIFPVBQESA-N -1 0 325.349 2.901 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1 ZINC000182949088 141377942 /nfs/dbraw/zinc/37/79/42/141377942.db2.gz OUFFRPHZFFJHPV-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cccnc1OC1CCC(Nc2cccc(C(=O)[O-])n2)CC1 ZINC000263382627 141389193 /nfs/dbraw/zinc/38/91/93/141389193.db2.gz CYVLODXKXVKGTL-UHFFFAOYSA-N -1 0 338.367 2.849 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)NCCCC(=O)[O-])s2)cc1 ZINC000263456971 141396130 /nfs/dbraw/zinc/39/61/30/141396130.db2.gz CKUIAEKFLWBOJQ-UHFFFAOYSA-N -1 0 344.396 2.592 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263484540 141398084 /nfs/dbraw/zinc/39/80/84/141398084.db2.gz MCBWLSQDEAOKIL-UHFFFAOYSA-N -1 0 331.372 2.722 20 30 EFEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3n[nH]cc3C#N)c2)n1 ZINC000337123208 141531499 /nfs/dbraw/zinc/53/14/99/141531499.db2.gz BYFSNCAEFXPOAP-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM CC(C)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344526258 142034300 /nfs/dbraw/zinc/03/43/00/142034300.db2.gz JPSRNDINRLESQY-OAHLLOKOSA-N -1 0 336.388 2.836 20 30 EFEDRM C[C@](CC(=O)NCCc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC000344557036 142040030 /nfs/dbraw/zinc/04/00/30/142040030.db2.gz UYKVTFIBOGXLJO-HXUWFJFHSA-N -1 0 336.391 2.650 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1OC(C)C ZINC000340968728 144964063 /nfs/dbraw/zinc/96/40/63/144964063.db2.gz BAPLCSVXWSUHQW-UHFFFAOYSA-N -1 0 336.369 2.748 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)o1 ZINC000340971404 144964727 /nfs/dbraw/zinc/96/47/27/144964727.db2.gz WQMREDWIRAFXEK-UHFFFAOYSA-N -1 0 342.336 2.534 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)c(Cl)cc1Cl ZINC000342467452 145132543 /nfs/dbraw/zinc/13/25/43/145132543.db2.gz VTTIFIMFTPSOBX-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(C)n1 ZINC000342489116 145137150 /nfs/dbraw/zinc/13/71/50/145137150.db2.gz JAXONRLYWBBNHN-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000342492433 145137421 /nfs/dbraw/zinc/13/74/21/145137421.db2.gz PKJSDLSXQZTLJK-UHFFFAOYSA-N -1 0 338.820 2.931 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc23)cn1 ZINC000342647175 145165504 /nfs/dbraw/zinc/16/55/04/145165504.db2.gz VOXUXWUAGPJCOR-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000342781370 145191398 /nfs/dbraw/zinc/19/13/98/145191398.db2.gz PANQVUALKTYEDY-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000343785010 145293834 /nfs/dbraw/zinc/29/38/34/145293834.db2.gz FNABXHUYLGNCJE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000350894723 146099453 /nfs/dbraw/zinc/09/94/53/146099453.db2.gz JDEKYHXQGWHGPQ-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000350898638 146099856 /nfs/dbraw/zinc/09/98/56/146099856.db2.gz SHURPOJXZPAXRG-UHFFFAOYSA-N -1 0 326.381 2.581 20 30 EFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccoc3)n2)c(Cl)c1 ZINC000350900269 146100586 /nfs/dbraw/zinc/10/05/86/146100586.db2.gz XFHNJQZQOWZKGM-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cn1 ZINC000351217103 146116620 /nfs/dbraw/zinc/11/66/20/146116620.db2.gz CCOKLCFNXHQKDT-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)nc2ccccc12 ZINC000351224904 146116911 /nfs/dbraw/zinc/11/69/11/146116911.db2.gz PKZZZPRDHOMEAT-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351227130 146117923 /nfs/dbraw/zinc/11/79/23/146117923.db2.gz UEIUFRCRSZIWJP-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM CCOc1ccc(S(=O)(=O)C=C([O-])c2ccc(C#N)cc2)cc1 ZINC000352174007 146308717 /nfs/dbraw/zinc/30/87/17/146308717.db2.gz IWHOWYXGRKQWOL-UHFFFAOYSA-N -1 0 329.377 2.614 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(F)c1 ZINC000356133029 147155991 /nfs/dbraw/zinc/15/59/91/147155991.db2.gz QDEGQWGLFISDJI-ZDUSSCGKSA-N -1 0 326.368 2.838 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(NC(C)=O)c2)cc1C#N ZINC000356180637 147169339 /nfs/dbraw/zinc/16/93/39/147169339.db2.gz ZMSWVWJJMLDMNK-UHFFFAOYSA-N -1 0 342.380 2.591 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)cc1 ZINC000356329203 147213206 /nfs/dbraw/zinc/21/32/06/147213206.db2.gz YUSADJTYAVDQND-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1n[nH]cc1C#N ZINC000358518281 147828379 /nfs/dbraw/zinc/82/83/79/147828379.db2.gz UKYUGYHQEDXUFZ-UHFFFAOYSA-N -1 0 336.760 2.790 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)onc1C(F)(F)F ZINC000358954831 147948934 /nfs/dbraw/zinc/94/89/34/147948934.db2.gz QGRCAKOANUWRIZ-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N(C)Cc2ccc(C#N)cc2)s1 ZINC000359453726 148088024 /nfs/dbraw/zinc/08/80/24/148088024.db2.gz SNYPQOORCOXOBO-UHFFFAOYSA-N -1 0 333.442 2.608 20 30 EFEDRM N#Cc1csc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)n1 ZINC000359467423 148093964 /nfs/dbraw/zinc/09/39/64/148093964.db2.gz AXQPFHDELZRIAI-UHFFFAOYSA-N -1 0 349.391 2.769 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000359714702 148169356 /nfs/dbraw/zinc/16/93/56/148169356.db2.gz HHVQXOZEWQCCDF-UHFFFAOYSA-N -1 0 345.362 2.601 20 30 EFEDRM COc1ccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(OC(C)C)c1 ZINC000359714231 148169476 /nfs/dbraw/zinc/16/94/76/148169476.db2.gz GSOHUDHPPCRBDC-UHFFFAOYSA-N -1 0 340.383 2.629 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000359721802 148171927 /nfs/dbraw/zinc/17/19/27/148171927.db2.gz YVSORGMRXGMZCZ-RYUDHWBXSA-N -1 0 326.787 2.976 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(F)ccc1Br ZINC000359721860 148171980 /nfs/dbraw/zinc/17/19/80/148171980.db2.gz ZNRNBKFCZDPVFJ-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C ZINC000368247258 150076863 /nfs/dbraw/zinc/07/68/63/150076863.db2.gz WYVLGEHPKYDEFB-UHFFFAOYSA-N -1 0 341.758 2.583 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000416943822 286724366 /nfs/dbraw/zinc/72/43/66/286724366.db2.gz UIMPPGYTDMQCQZ-KBPBESRZSA-N -1 0 338.429 2.678 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1nncn1C(C)C ZINC000416959521 287443313 /nfs/dbraw/zinc/44/33/13/287443313.db2.gz QDZUEKMRGIXKKF-GFCCVEGCSA-N -1 0 333.417 2.570 20 30 EFEDRM C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000331102173 299853035 /nfs/dbraw/zinc/85/30/35/299853035.db2.gz DMZGNDFYRIDEMS-NSHDSACASA-N -1 0 349.387 2.999 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000332369724 269813265 /nfs/dbraw/zinc/81/32/65/269813265.db2.gz WNCDRIRUSGBRIE-DGCLKSJQSA-N -1 0 349.456 2.536 20 30 EFEDRM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc2N(C)C1=O ZINC000525951127 269860056 /nfs/dbraw/zinc/86/00/56/269860056.db2.gz PUFOPXNSQSQXBG-GFCCVEGCSA-N -1 0 335.363 2.523 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C#N)c1C ZINC000007323397 264008704 /nfs/dbraw/zinc/00/87/04/264008704.db2.gz QMMUUCJCZANUDS-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013263480 264586822 /nfs/dbraw/zinc/58/68/22/264586822.db2.gz FBQLTWCXSWSVOT-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1C1CCCCC1 ZINC000290589672 270024575 /nfs/dbraw/zinc/02/45/75/270024575.db2.gz XHPAFTSXPWPVTF-UHFFFAOYSA-N -1 0 334.401 2.962 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c1 ZINC000290941551 270024676 /nfs/dbraw/zinc/02/46/76/270024676.db2.gz LLWMWHJTDZDZRQ-UHFFFAOYSA-N -1 0 348.453 2.870 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)no1 ZINC000297686656 270025511 /nfs/dbraw/zinc/02/55/11/270025511.db2.gz HAICCCSVIDEBAU-UHFFFAOYSA-N -1 0 333.369 2.944 20 30 EFEDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000299636370 270025698 /nfs/dbraw/zinc/02/56/98/270025698.db2.gz UGHIMFKBJPLDQP-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000417751138 270027849 /nfs/dbraw/zinc/02/78/49/270027849.db2.gz LIACNDNWSKJBPK-UHFFFAOYSA-N -1 0 341.314 2.926 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1Cl ZINC000446965520 270028612 /nfs/dbraw/zinc/02/86/12/270028612.db2.gz MSGJFUMSIZOEQE-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1ccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000492009204 270032392 /nfs/dbraw/zinc/03/23/92/270032392.db2.gz RMQUPHWDOBOOJJ-YHYXMXQVSA-N -1 0 332.319 2.553 20 30 EFEDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000523077125 270034125 /nfs/dbraw/zinc/03/41/25/270034125.db2.gz YBIIFXKYMQAXGM-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)s1 ZINC000531138067 270035457 /nfs/dbraw/zinc/03/54/57/270035457.db2.gz AJFWOIWHJMKEJX-JXMROGBWSA-N -1 0 349.371 2.972 20 30 EFEDRM N#Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1O ZINC000188692789 265149934 /nfs/dbraw/zinc/14/99/34/265149934.db2.gz JNQJKOSTZWTIFO-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000190850082 265240854 /nfs/dbraw/zinc/24/08/54/265240854.db2.gz QZZXWXYQUUWAOQ-UHFFFAOYSA-N -1 0 341.392 2.859 20 30 EFEDRM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000288495980 265787239 /nfs/dbraw/zinc/78/72/39/265787239.db2.gz TYGRSDREUDZCRT-UHFFFAOYSA-N -1 0 347.396 2.937 20 30 EFEDRM CCC[C@@H](CCCCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000281766684 266066397 /nfs/dbraw/zinc/06/63/97/266066397.db2.gz LVQNYARJBSZNAH-AWEZNQCLSA-N -1 0 338.429 2.508 20 30 EFEDRM CCN(c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)C(C)C ZINC000290959459 266142775 /nfs/dbraw/zinc/14/27/75/266142775.db2.gz OFRMVWIHWLVEDP-UHFFFAOYSA-N -1 0 344.440 2.989 20 30 EFEDRM CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1C#N ZINC000269698810 266263468 /nfs/dbraw/zinc/26/34/68/266263468.db2.gz LQXUWHIFDWSIFW-UHFFFAOYSA-N -1 0 333.344 2.566 20 30 EFEDRM CC[C@H](C)n1nc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1C ZINC000330756581 266394117 /nfs/dbraw/zinc/39/41/17/266394117.db2.gz XNVYWKUSYBWPOC-NSHDSACASA-N -1 0 328.420 2.660 20 30 EFEDRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000282318100 266767375 /nfs/dbraw/zinc/76/73/75/266767375.db2.gz ZDFRSBXLELFIDK-GFCCVEGCSA-N -1 0 347.396 2.522 20 30 EFEDRM CCCc1nc(=NC2CCC(Oc3ccc(C#N)cn3)CC2)s[n-]1 ZINC000514979444 267043238 /nfs/dbraw/zinc/04/32/38/267043238.db2.gz MWLMECQFRGJVAF-UHFFFAOYSA-N -1 0 343.456 2.981 20 30 EFEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cn3)cc(Cl)c2O1 ZINC000174002256 267095156 /nfs/dbraw/zinc/09/51/56/267095156.db2.gz CICHSCKMHMVLJS-SECBINFHSA-N -1 0 349.799 2.731 20 30 EFEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000277026372 267101750 /nfs/dbraw/zinc/10/17/50/267101750.db2.gz JRKGXHWQHBWQEW-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1c(F)cc(C#N)cc1F ZINC000292367449 267110825 /nfs/dbraw/zinc/11/08/25/267110825.db2.gz RRVZMLNMYLALCJ-PRHODGIISA-N -1 0 347.287 2.872 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(C)c1C ZINC000277105352 267115249 /nfs/dbraw/zinc/11/52/49/267115249.db2.gz WCJZXDOLBYWHAF-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)cc1C#N ZINC000492078945 267129892 /nfs/dbraw/zinc/12/98/92/267129892.db2.gz SAHWBJGEBJQQOO-UHFFFAOYSA-N -1 0 335.341 2.520 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000446892429 267183996 /nfs/dbraw/zinc/18/39/96/267183996.db2.gz LPGXEOGTVHRZQM-SNVBAGLBSA-N -1 0 349.456 2.682 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)s1 ZINC000519736445 267244878 /nfs/dbraw/zinc/24/48/78/267244878.db2.gz OEWDCDVEIYCAKZ-UHFFFAOYSA-N -1 0 336.394 2.712 20 30 EFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000277737046 267248255 /nfs/dbraw/zinc/24/82/55/267248255.db2.gz PFDVFAVIQYKGGA-MFKMUULPSA-N -1 0 334.363 2.955 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000331282420 267327989 /nfs/dbraw/zinc/32/79/89/267327989.db2.gz JGPWDSJYOBIRDN-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1C(=O)NC(C)C ZINC000188586499 267345357 /nfs/dbraw/zinc/34/53/57/267345357.db2.gz NZDFOHBQTGOVJW-UHFFFAOYSA-N -1 0 337.379 2.963 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000178955298 267391231 /nfs/dbraw/zinc/39/12/31/267391231.db2.gz VDSPBBQQTFZWDP-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288559529 267429717 /nfs/dbraw/zinc/42/97/17/267429717.db2.gz QANQOAKCYOASAV-UHFFFAOYSA-N -1 0 345.380 2.609 20 30 EFEDRM Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000192921135 267496279 /nfs/dbraw/zinc/49/62/79/267496279.db2.gz QODKEFIISXGNOS-ZHACJKMWSA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443411425 268095921 /nfs/dbraw/zinc/09/59/21/268095921.db2.gz FBLFOEKQFQISOV-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000288706631 268099081 /nfs/dbraw/zinc/09/90/81/268099081.db2.gz XGUUAIAOQKXFCB-LLVKDONJSA-N -1 0 338.738 2.831 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/Sc2ccccc2)cc1 ZINC000192920836 268197571 /nfs/dbraw/zinc/19/75/71/268197571.db2.gz DPOVREHGPHRKLX-ZHACJKMWSA-N -1 0 344.417 2.669 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)CSc3n[n-]c(=S)s3)CC2)c1 ZINC000269609574 268238764 /nfs/dbraw/zinc/23/87/64/268238764.db2.gz LNFQCWCYEBGWIG-UHFFFAOYSA-N -1 0 348.478 2.596 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000530284605 268260158 /nfs/dbraw/zinc/26/01/58/268260158.db2.gz QLQVFKHBMDEIGR-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3c([O-])cccc3F)CCO2)c1 ZINC000436991526 268290383 /nfs/dbraw/zinc/29/03/83/268290383.db2.gz VKYUWLSMHJQVSL-MRXNPFEDSA-N -1 0 326.327 2.617 20 30 EFEDRM N#Cc1ncccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000428402273 268325244 /nfs/dbraw/zinc/32/52/44/268325244.db2.gz RSGCRWYTIXRULA-UHFFFAOYSA-N -1 0 349.362 2.589 20 30 EFEDRM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000428397218 268325299 /nfs/dbraw/zinc/32/52/99/268325299.db2.gz BOOZNSRDVHTFDT-ZDUSSCGKSA-N -1 0 347.362 2.743 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1 ZINC000426520837 269668195 /nfs/dbraw/zinc/66/81/95/269668195.db2.gz FOPUKUPALIPCOX-LLVKDONJSA-N -1 0 343.339 2.821 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000281754738 277795071 /nfs/dbraw/zinc/79/50/71/277795071.db2.gz KAFLXEDXUIMKGX-LJHODMEESA-N -1 0 331.412 2.516 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000422656259 277892081 /nfs/dbraw/zinc/89/20/81/277892081.db2.gz CGACOYJWOSRSEC-HNNXBMFYSA-N -1 0 346.427 2.702 20 30 EFEDRM CC(C)(CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000424407216 278604242 /nfs/dbraw/zinc/60/42/42/278604242.db2.gz SATFOVXJIDSXNY-HZPDHXFCSA-N -1 0 343.427 2.969 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC(C)(C)C#N)n2)cc1 ZINC000359645444 280588121 /nfs/dbraw/zinc/58/81/21/280588121.db2.gz HGHJGPMVQBYCNY-UHFFFAOYSA-N -1 0 326.400 2.981 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@H]1C#N ZINC000286919243 280975551 /nfs/dbraw/zinc/97/55/51/280975551.db2.gz CSZAKKVLFLXZAO-HNNXBMFYSA-N -1 0 342.374 2.871 20 30 EFEDRM CC1=C(C)CN(C([O-])=Nc2cc(Br)cn(C)c2=O)CC1 ZINC000330345950 281661260 /nfs/dbraw/zinc/66/12/60/281661260.db2.gz FVAWWAQNXMIXAA-UHFFFAOYSA-N -1 0 340.221 2.735 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)c2ccccn2)cc1C#N ZINC000068465641 292703797 /nfs/dbraw/zinc/70/37/97/292703797.db2.gz RMMFUBHUDAYQAE-JTQLQIEISA-N -1 0 328.397 2.609 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000069676081 292710935 /nfs/dbraw/zinc/71/09/35/292710935.db2.gz HSSJUUANTJEZGV-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1Cl ZINC000079262094 292785162 /nfs/dbraw/zinc/78/51/62/292785162.db2.gz UVFKYVPHZHUQLF-UHFFFAOYSA-N -1 0 339.829 2.768 20 30 EFEDRM CN(Cc1ccc(F)c(C#N)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131532281 293199469 /nfs/dbraw/zinc/19/94/69/293199469.db2.gz COBBFFFPYIJYMY-UHFFFAOYSA-N -1 0 328.372 2.627 20 30 EFEDRM Cc1conc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000153451946 293375931 /nfs/dbraw/zinc/37/59/31/293375931.db2.gz WMDVIOZNKKTBRD-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000154007413 293405033 /nfs/dbraw/zinc/40/50/33/293405033.db2.gz QAVMIDPCOYRXEC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C[C@@H]1C[C@H](C)Cc2sc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)c(C#N)c21 ZINC000414088633 297364147 /nfs/dbraw/zinc/36/41/47/297364147.db2.gz JHOIFKVITMLJCP-BSJXLVFVSA-N -1 0 348.424 2.876 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)ccc1C#N ZINC000451087231 300889189 /nfs/dbraw/zinc/88/91/89/300889189.db2.gz HSZYXUJRLLUONY-UHFFFAOYSA-N -1 0 329.425 2.782 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC000073353689 301647227 /nfs/dbraw/zinc/64/72/27/301647227.db2.gz VDCDKWFZXXKTOD-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#C[C@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332205799 303167667 /nfs/dbraw/zinc/16/76/67/303167667.db2.gz SSQGTSCCZKKPSP-ZWNOBZJWSA-N -1 0 330.775 2.653 20 30 EFEDRM N#Cc1nc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[n-]c1C#N ZINC000103188177 303216047 /nfs/dbraw/zinc/21/60/47/303216047.db2.gz SAOGXYWLDWSASO-JTQLQIEISA-N -1 0 333.273 2.828 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000160667557 310701472 /nfs/dbraw/zinc/70/14/72/310701472.db2.gz CWKNWPWJLPXBOY-UHFFFAOYSA-N -1 0 334.401 2.535 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000322107387 311239236 /nfs/dbraw/zinc/23/92/36/311239236.db2.gz IPXBZMSSVQVKEE-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM O=C(/C=C/c1ccc(SC(F)F)cc1)N[C@H]1CCCN(O)C1=O ZINC000493188778 314270138 /nfs/dbraw/zinc/27/01/38/314270138.db2.gz KTVVPAJWIMCFLH-ZCRIDZFUSA-N -1 0 342.367 2.511 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(OC3CCCC3)nc2)[n-]1 ZINC000542873997 317832742 /nfs/dbraw/zinc/83/27/42/317832742.db2.gz MYNZWKGWUBRAIB-UHFFFAOYSA-N -1 0 339.399 2.726 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000545999090 317947430 /nfs/dbraw/zinc/94/74/30/317947430.db2.gz JAQUHZOORZYIRV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000545998856 317947499 /nfs/dbraw/zinc/94/74/99/317947499.db2.gz AZNVDACCFAWHBA-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1F ZINC000548477959 318112452 /nfs/dbraw/zinc/11/24/52/318112452.db2.gz KLZPAONRGMZRMZ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)N=c3ccc(C(F)(F)F)n[n-]3)CC2)c1 ZINC000551950960 318229607 /nfs/dbraw/zinc/22/96/07/318229607.db2.gz PQEIFORTCSJKIF-UHFFFAOYSA-N -1 0 347.300 2.600 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(C#N)cs1 ZINC000559256626 318506883 /nfs/dbraw/zinc/50/68/83/318506883.db2.gz TVLKVYUZNGTVRS-UHFFFAOYSA-N -1 0 325.353 2.671 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)N(C1CC1)C1CCCC1 ZINC000564347584 318857004 /nfs/dbraw/zinc/85/70/04/318857004.db2.gz IUPQHDQBBCCUSB-HSZRJFAPSA-N -1 0 334.416 2.739 20 30 EFEDRM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)c2ccccc2O1 ZINC000566602672 319093311 /nfs/dbraw/zinc/09/33/11/319093311.db2.gz HKOUVXJPTKIKLG-ZWNOBZJWSA-N -1 0 334.422 2.810 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c(F)c1 ZINC000568607329 319300522 /nfs/dbraw/zinc/30/05/22/319300522.db2.gz OKZCPPHRCWFLAF-AWEZNQCLSA-N -1 0 326.368 2.693 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2sccc2Cl)n[nH]c1C1CC1 ZINC000569663360 319400684 /nfs/dbraw/zinc/40/06/84/319400684.db2.gz MZQMBCSEHLXMIU-UHFFFAOYSA-N -1 0 328.806 2.674 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n[nH]c1C1CC1 ZINC000575997699 319974220 /nfs/dbraw/zinc/97/42/20/319974220.db2.gz SNAQPMYZXOEAOZ-UHFFFAOYSA-N -1 0 342.424 2.838 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc(-c3ccccc3F)n2)cc1 ZINC000578811496 320240701 /nfs/dbraw/zinc/24/07/01/320240701.db2.gz DPZIOXBUMJFFHN-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC1(c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)no2)CCCC1 ZINC000580017687 324076106 /nfs/dbraw/zinc/07/61/06/324076106.db2.gz WWDHCZCRBDVCDF-UHFFFAOYSA-N -1 0 332.385 2.574 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000580522817 324178330 /nfs/dbraw/zinc/17/83/30/324178330.db2.gz XUSUHMQNZUSTDC-UHFFFAOYSA-N -1 0 330.413 2.843 20 30 EFEDRM CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1cccc(C#N)c1 ZINC000580966401 324278089 /nfs/dbraw/zinc/27/80/89/324278089.db2.gz WLHDKBGRWJENOI-UHFFFAOYSA-N -1 0 336.326 2.865 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCc3sccc32)cc1C#N ZINC000137378346 473204772 /nfs/dbraw/zinc/20/47/72/473204772.db2.gz YWGRWLPXTJUZEL-GFCCVEGCSA-N -1 0 345.449 2.837 20 30 EFEDRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000066249580 462867051 /nfs/dbraw/zinc/86/70/51/462867051.db2.gz LETQXNYMXSGKBS-JTQLQIEISA-N -1 0 333.438 2.940 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000184931326 473276770 /nfs/dbraw/zinc/27/67/70/473276770.db2.gz YANZXAMZVSBXQO-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1Cl ZINC000144363073 473283924 /nfs/dbraw/zinc/28/39/24/473283924.db2.gz QQFFRESCMLUXDP-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)nc3)sc2C1 ZINC000171154105 473304975 /nfs/dbraw/zinc/30/49/75/473304975.db2.gz KCFNUCIMCOWWHW-SNVBAGLBSA-N -1 0 348.453 2.725 20 30 EFEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000177300226 473351064 /nfs/dbraw/zinc/35/10/64/473351064.db2.gz KUJLIHKVPNRWHE-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(F)c1 ZINC000125162648 473367331 /nfs/dbraw/zinc/36/73/31/473367331.db2.gz LSARARGZDMASCB-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1Cl ZINC000416959620 477387218 /nfs/dbraw/zinc/38/72/18/477387218.db2.gz YZFKIGJQAXAWOP-LLVKDONJSA-N -1 0 341.820 2.511 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1nncn1C(C)C ZINC000416959528 477387457 /nfs/dbraw/zinc/38/74/57/477387457.db2.gz QDZUEKMRGIXKKF-LBPRGKRZSA-N -1 0 333.417 2.570 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000005262323 471496009 /nfs/dbraw/zinc/49/60/09/471496009.db2.gz OEDPFCZSIRTYFI-UHFFFAOYSA-N -1 0 344.436 2.966 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000007054193 471587938 /nfs/dbraw/zinc/58/79/38/471587938.db2.gz NNADYYYCJNHCIQ-UHFFFAOYSA-N -1 0 334.372 2.542 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000067600406 472056930 /nfs/dbraw/zinc/05/69/30/472056930.db2.gz YCSNTIGTMNTPIE-LLVKDONJSA-N -1 0 345.336 2.621 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)nc3c2c(C)nn3C)n1 ZINC000041516957 472066201 /nfs/dbraw/zinc/06/62/01/472066201.db2.gz OWDBLMSKSKMQLL-LBPRGKRZSA-N -1 0 325.397 2.840 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000041521697 472067340 /nfs/dbraw/zinc/06/73/40/472067340.db2.gz BUVLNJJTRVDGNC-SNVBAGLBSA-N -1 0 347.352 2.867 20 30 EFEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041546729 472068551 /nfs/dbraw/zinc/06/85/51/472068551.db2.gz YXRBWTDJVNOMJX-CYBMUJFWSA-N -1 0 340.360 2.721 20 30 EFEDRM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2ccccc2o1 ZINC000041542110 472068646 /nfs/dbraw/zinc/06/86/46/472068646.db2.gz ZTKYUOSUFBJJGS-NSHDSACASA-N -1 0 333.303 2.649 20 30 EFEDRM CN1C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2C1=O ZINC000041542234 472068686 /nfs/dbraw/zinc/06/86/86/472068686.db2.gz HHNKHYUXWNTUOI-ZDUSSCGKSA-N -1 0 345.314 2.544 20 30 EFEDRM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000067687939 472072545 /nfs/dbraw/zinc/07/25/45/472072545.db2.gz QXPGFANFLXQAFQ-UHFFFAOYSA-N -1 0 349.437 2.535 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000042338947 472130781 /nfs/dbraw/zinc/13/07/81/472130781.db2.gz ZWAXWSNCQFOTPH-UHFFFAOYSA-N -1 0 325.386 2.683 20 30 EFEDRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026269698 472130950 /nfs/dbraw/zinc/13/09/50/472130950.db2.gz IPDPKCBDNNUDFF-QMMMGPOBSA-N -1 0 331.788 2.926 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(CC)s2)n1 ZINC000068413021 472185562 /nfs/dbraw/zinc/18/55/62/472185562.db2.gz GOPXQIUZJLFLAX-MRVPVSSYSA-N -1 0 335.410 2.829 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000055644946 472217292 /nfs/dbraw/zinc/21/72/92/472217292.db2.gz AOLLHKBFBNLYOH-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1 ZINC000055663730 472222093 /nfs/dbraw/zinc/22/20/93/472222093.db2.gz ZQEYZPQINFEPKC-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3cnccn3)n2)n1 ZINC000076020412 472243717 /nfs/dbraw/zinc/24/37/17/472243717.db2.gz DCXLBWUUWCUBFR-VIFPVBQESA-N -1 0 327.394 2.855 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1C ZINC000069282720 472315995 /nfs/dbraw/zinc/31/59/95/472315995.db2.gz PCGBRAHQZUOQMT-KGLIPLIRSA-N -1 0 341.429 2.533 20 30 EFEDRM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000069559956 472369588 /nfs/dbraw/zinc/36/95/88/472369588.db2.gz JFWWENJCLQGVLU-QMMMGPOBSA-N -1 0 349.272 2.578 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057124018 472383528 /nfs/dbraw/zinc/38/35/28/472383528.db2.gz HZXLXQWQIJUZBT-UHFFFAOYSA-N -1 0 329.381 2.929 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)CCO3)cc1C#N ZINC000031909776 472400733 /nfs/dbraw/zinc/40/07/33/472400733.db2.gz YIPIFXGKLLWLFL-UHFFFAOYSA-N -1 0 327.365 2.568 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1csc(Br)c1 ZINC000089287262 472406001 /nfs/dbraw/zinc/40/60/01/472406001.db2.gz DHVCLTOLNGYPOO-ONEGZZNKSA-N -1 0 336.232 2.996 20 30 EFEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000076825563 472409893 /nfs/dbraw/zinc/40/98/93/472409893.db2.gz FUPAOTYKWVRDFY-ZDUSSCGKSA-N -1 0 347.330 2.998 20 30 EFEDRM CCOC(=O)N[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000032074036 472412111 /nfs/dbraw/zinc/41/21/11/472412111.db2.gz NDSSYJGQVXVKPC-LFMVTYOGSA-N -1 0 337.376 2.880 20 30 EFEDRM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)cnc21 ZINC000032098012 472416367 /nfs/dbraw/zinc/41/63/67/472416367.db2.gz RYOGWCWTYRJVEC-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM CCN(CC)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1F ZINC000128394457 472445625 /nfs/dbraw/zinc/44/56/25/472445625.db2.gz DAEMJINYAZYHEG-PDFOZTTASA-N -1 0 345.370 2.900 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn3c2nc(C)cc3C)n1 ZINC000069832684 472446762 /nfs/dbraw/zinc/44/67/62/472446762.db2.gz QGLLOEWHMYZIQB-LBPRGKRZSA-N -1 0 325.397 2.910 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccnc(Cl)c1 ZINC000089492483 472451748 /nfs/dbraw/zinc/45/17/48/472451748.db2.gz FTZHNZUTFUYLKO-ONEGZZNKSA-N -1 0 341.776 2.698 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000057734593 472468976 /nfs/dbraw/zinc/46/89/76/472468976.db2.gz BEPCQQPHTNGFPG-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000057748610 472470920 /nfs/dbraw/zinc/47/09/20/472470920.db2.gz JEGMVUDSTHWNGU-SNVBAGLBSA-N -1 0 327.450 2.759 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000117740950 472478413 /nfs/dbraw/zinc/47/84/13/472478413.db2.gz UZBXDGPFPLABHN-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000155015040 472497888 /nfs/dbraw/zinc/49/78/88/472497888.db2.gz FZQULWCRYLCGBM-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1nc(C#N)c(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cn2)o1 ZINC000058163035 472511388 /nfs/dbraw/zinc/51/13/88/472511388.db2.gz ILBYHTYPHOHFAT-UHFFFAOYSA-N -1 0 328.715 2.630 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=C(C2CC2)C2CC2)c1 ZINC000058193971 472515415 /nfs/dbraw/zinc/51/54/15/472515415.db2.gz REUQQGCOJWLFSO-UHFFFAOYSA-N -1 0 349.408 2.865 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000119075404 472523942 /nfs/dbraw/zinc/52/39/42/472523942.db2.gz NUZDCUCELILDMU-SECBINFHSA-N -1 0 338.241 2.970 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Sc3ccccn3)cc2)[n-]c1C#N ZINC000058244755 472524795 /nfs/dbraw/zinc/52/47/95/472524795.db2.gz OQAAZLSBXUOOFV-UHFFFAOYSA-N -1 0 346.375 2.952 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)s1 ZINC000058249335 472526613 /nfs/dbraw/zinc/52/66/13/472526613.db2.gz ZNIWUTWWILLMHE-ONEGZZNKSA-N -1 0 329.381 2.733 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000101080264 472530712 /nfs/dbraw/zinc/53/07/12/472530712.db2.gz GCOMMXKQNWYLDV-ZDUSSCGKSA-N -1 0 329.743 2.596 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc2nsnc21)C1CC1 ZINC000089894546 472537196 /nfs/dbraw/zinc/53/71/96/472537196.db2.gz MIKFPMSIWZWKKH-QMMMGPOBSA-N -1 0 325.415 2.773 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(O)c1 ZINC000129513567 472549145 /nfs/dbraw/zinc/54/91/45/472549145.db2.gz DAOMMMURSPIDQM-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1cccc(CN(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000077542103 472551603 /nfs/dbraw/zinc/55/16/03/472551603.db2.gz VKJCDIDGZBNRSQ-UHFFFAOYSA-N -1 0 343.408 2.662 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc([N+](=O)[O-])c1[O-] ZINC000058465493 472573186 /nfs/dbraw/zinc/57/31/86/472573186.db2.gz GHNGDHRSDVYMHL-SNAWJCMRSA-N -1 0 331.328 2.983 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)cn1 ZINC000077704138 472589682 /nfs/dbraw/zinc/58/96/82/472589682.db2.gz AMZOAATXOYOFGJ-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000130301533 472595981 /nfs/dbraw/zinc/59/59/81/472595981.db2.gz VVQLSKPSHZPVMS-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130308244 472597242 /nfs/dbraw/zinc/59/72/42/472597242.db2.gz NTWMCTQTTDARBL-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130307117 472597388 /nfs/dbraw/zinc/59/73/88/472597388.db2.gz RNRYGRFMOPDKRL-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1F ZINC000130304685 472597616 /nfs/dbraw/zinc/59/76/16/472597616.db2.gz NRPRAAHGKLFWPO-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000130434437 472606732 /nfs/dbraw/zinc/60/67/32/472606732.db2.gz GMLPVMQYYROWAA-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCO3)c1 ZINC000046929221 472624309 /nfs/dbraw/zinc/62/43/09/472624309.db2.gz YTIWPGSSQATBCR-UHFFFAOYSA-N -1 0 333.365 2.726 20 30 EFEDRM O=C(C=Cc1cnc2ccccc2n1)[N-]S(=O)(=O)c1ccccc1 ZINC000077941598 472644164 /nfs/dbraw/zinc/64/41/64/472644164.db2.gz BFHGAEHRSDRSAJ-ZHACJKMWSA-N -1 0 339.376 2.988 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000047367440 472697164 /nfs/dbraw/zinc/69/71/64/472697164.db2.gz ARSIQKACBMWOJW-UHFFFAOYSA-N -1 0 330.365 2.520 20 30 EFEDRM CC(=O)N1CCC(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000105356751 472749594 /nfs/dbraw/zinc/74/95/94/472749594.db2.gz DHDDJHXTHZMTTB-RQZCQDPDSA-N -1 0 339.779 2.631 20 30 EFEDRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(CC#N)cc1 ZINC000063665717 472798547 /nfs/dbraw/zinc/79/85/47/472798547.db2.gz DGNCPNIRNXOJFN-UHFFFAOYSA-N -1 0 347.371 2.516 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000133490565 472809014 /nfs/dbraw/zinc/80/90/14/472809014.db2.gz BIFPSSFWJYAHLQ-UHFFFAOYSA-N -1 0 347.444 2.531 20 30 EFEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc2cc(F)ccc2s1 ZINC000073532730 472824155 /nfs/dbraw/zinc/82/41/55/472824155.db2.gz YLOMMOYLLAGSHV-LLVKDONJSA-N -1 0 337.339 2.968 20 30 EFEDRM CCS(=O)(=O)[N-]C(=O)C=Cc1ccc(OCc2cccnc2)cc1 ZINC000073533970 472825887 /nfs/dbraw/zinc/82/58/87/472825887.db2.gz MNTMVFQGWVTSQT-JXMROGBWSA-N -1 0 346.408 2.980 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000064099960 472834992 /nfs/dbraw/zinc/83/49/92/472834992.db2.gz HOKYNFWIDOXISB-FNORWQNLSA-N -1 0 330.337 2.834 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000064611661 472866342 /nfs/dbraw/zinc/86/63/42/472866342.db2.gz OEDYVSNVEAPBOR-IBGZPJMESA-N -1 0 338.363 2.938 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2cccnc2)cc1C#N ZINC000073757416 472869766 /nfs/dbraw/zinc/86/97/66/472869766.db2.gz IBUKLTMAGDPHEB-CQSZACIVSA-N -1 0 340.408 2.753 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2=O)cc1 ZINC000073766731 472871088 /nfs/dbraw/zinc/87/10/88/472871088.db2.gz FPGQUITZKMTZSF-IFXJQAMLSA-N -1 0 338.411 2.676 20 30 EFEDRM CCOc1ccc(-c2nc(CC(=O)[N-]S(C)(=O)=O)cs2)cc1 ZINC000048487030 472882469 /nfs/dbraw/zinc/88/24/69/472882469.db2.gz YXHONFFTGGKVBP-UHFFFAOYSA-N -1 0 340.426 2.667 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1OCC ZINC000048493775 472883132 /nfs/dbraw/zinc/88/31/32/472883132.db2.gz YKAHYZANDBHUGR-PWSUYJOCSA-N -1 0 327.402 2.785 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000073838624 472886199 /nfs/dbraw/zinc/88/61/99/472886199.db2.gz JEJQRLSOXJWBJD-YXAQFCRZSA-N -1 0 327.402 2.737 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1c(C)nn(C)c1Cl ZINC000073838459 472886657 /nfs/dbraw/zinc/88/66/57/472886657.db2.gz VDZMBZDGDGRPJB-BQYQJAHWSA-N -1 0 333.841 2.870 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1F)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000048588839 472890855 /nfs/dbraw/zinc/89/08/55/472890855.db2.gz HMSINHUDEUPASU-FOSCPWQOSA-N -1 0 339.388 2.866 20 30 EFEDRM N#Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000048608713 472892347 /nfs/dbraw/zinc/89/23/47/472892347.db2.gz CXVABHQGQNNXPZ-BQYQJAHWSA-N -1 0 337.360 2.789 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000121907751 472942845 /nfs/dbraw/zinc/94/28/45/472942845.db2.gz RVSKPCMCNYJNNV-UHFFFAOYSA-N -1 0 337.426 2.861 20 30 EFEDRM N#CC(=C([O-])c1cccc(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391642 472947224 /nfs/dbraw/zinc/94/72/24/472947224.db2.gz NKUPLHPBGAPJST-CQSZACIVSA-N -1 0 348.341 2.827 20 30 EFEDRM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000159133452 473000270 /nfs/dbraw/zinc/00/02/70/473000270.db2.gz XOULSTUGBREZHH-UHFFFAOYSA-N -1 0 349.394 2.689 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OCC(N)=O)n1 ZINC000080454034 473034022 /nfs/dbraw/zinc/03/40/22/473034022.db2.gz ALALNNOQOFGDER-GFCCVEGCSA-N -1 0 343.408 2.621 20 30 EFEDRM CC#CCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000135190626 473034230 /nfs/dbraw/zinc/03/42/30/473034230.db2.gz KVCLOMDNOYDVDX-UHFFFAOYSA-N -1 0 347.006 2.670 20 30 EFEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3c[nH]cn3)c2)cc1 ZINC000135317755 473056978 /nfs/dbraw/zinc/05/69/78/473056978.db2.gz IFILLNWMMXEUFG-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n(CCC#N)n1 ZINC000066248024 473063472 /nfs/dbraw/zinc/06/34/72/473063472.db2.gz YKRLUPRDAFLHAM-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000135601381 473098821 /nfs/dbraw/zinc/09/88/21/473098821.db2.gz YTTUZAJUSUCRTQ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C#N)c2)o1 ZINC000109421279 473099792 /nfs/dbraw/zinc/09/97/92/473099792.db2.gz NNQQEUJMTRHQKT-UHFFFAOYSA-N -1 0 342.380 2.505 20 30 EFEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000052557341 473123657 /nfs/dbraw/zinc/12/36/57/473123657.db2.gz BMXVWINKPJNSMK-VIFPVBQESA-N -1 0 329.747 2.521 20 30 EFEDRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000052557392 473123679 /nfs/dbraw/zinc/12/36/79/473123679.db2.gz XGQGHPQNKFRVRP-MRVPVSSYSA-N -1 0 331.788 2.926 20 30 EFEDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000075126170 473133057 /nfs/dbraw/zinc/13/30/57/473133057.db2.gz ZRALEIHEZHMKNP-CHWSQXEVSA-N -1 0 333.450 2.580 20 30 EFEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000136092905 473133223 /nfs/dbraw/zinc/13/32/23/473133223.db2.gz UNENSIVEZYCJEW-AWEZNQCLSA-N -1 0 348.449 2.908 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000123376742 473134347 /nfs/dbraw/zinc/13/43/47/473134347.db2.gz NNWWCZQGIGBZMC-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000136106896 473135600 /nfs/dbraw/zinc/13/56/00/473135600.db2.gz XJGFWDWVDLONSF-SNVBAGLBSA-N -1 0 326.381 2.964 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc(C#N)cc1Cl ZINC000160616173 473152019 /nfs/dbraw/zinc/15/20/19/473152019.db2.gz MWOZYCPCUCOZDD-UHFFFAOYSA-N -1 0 331.788 2.541 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 ZINC000123646367 473169042 /nfs/dbraw/zinc/16/90/42/473169042.db2.gz WMTIRDSXKUIPEQ-SECBINFHSA-N -1 0 335.722 2.991 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2Cl)c(F)c1 ZINC000123959741 473200777 /nfs/dbraw/zinc/20/07/77/473200777.db2.gz JZKSHZVNQXCFAY-UHFFFAOYSA-N -1 0 342.754 2.968 20 30 EFEDRM CCc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(O)c1 ZINC000190787086 473392630 /nfs/dbraw/zinc/39/26/30/473392630.db2.gz BQOWQFYFPXMJCN-UHFFFAOYSA-N -1 0 335.407 2.789 20 30 EFEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190895035 473422471 /nfs/dbraw/zinc/42/24/71/473422471.db2.gz LUXXYLLWXILUHZ-BSEYFRJRSA-N -1 0 335.388 2.857 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185436644 473426624 /nfs/dbraw/zinc/42/66/24/473426624.db2.gz BYYHFVXIHBDZOY-UHFFFAOYSA-N -1 0 327.296 2.823 20 30 EFEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1cnc2ccccc2n1 ZINC000190937983 473434524 /nfs/dbraw/zinc/43/45/24/473434524.db2.gz BTGWFDLUEQXJDE-AWEZNQCLSA-N -1 0 340.342 2.961 20 30 EFEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1cnc2ccccc2n1 ZINC000190957455 473440151 /nfs/dbraw/zinc/44/01/51/473440151.db2.gz GRSIPZCJMVHBFC-ZDUSSCGKSA-N -1 0 330.347 2.686 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000177846379 473443715 /nfs/dbraw/zinc/44/37/15/473443715.db2.gz OFMMJWCIXTWFMH-UHFFFAOYSA-N -1 0 338.410 2.828 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc12 ZINC000185601352 473466920 /nfs/dbraw/zinc/46/69/20/473466920.db2.gz POLFCUKWCFWZJR-UHFFFAOYSA-N -1 0 346.343 2.597 20 30 EFEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ncccc3C#N)cc(Cl)c2O1 ZINC000191103761 473479147 /nfs/dbraw/zinc/47/91/47/473479147.db2.gz NBJYDMNRMQEONO-VIFPVBQESA-N -1 0 349.799 2.731 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000185671846 473485217 /nfs/dbraw/zinc/48/52/17/473485217.db2.gz BNUHFAGCWWGNRD-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673769 473491900 /nfs/dbraw/zinc/49/19/00/473491900.db2.gz FFVLEOVDQLIDKT-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000114673617 473492050 /nfs/dbraw/zinc/49/20/50/473492050.db2.gz PRWXMOTWCZFKFU-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000191269698 473522263 /nfs/dbraw/zinc/52/22/63/473522263.db2.gz UGCWSRBNMHARDD-UHFFFAOYSA-N -1 0 330.409 2.760 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cn(C(C)(C)C)nn1)CC2 ZINC000191267196 473522472 /nfs/dbraw/zinc/52/24/72/473522472.db2.gz HWQWAHXOBXGYCB-YFHOEESVSA-N -1 0 329.356 2.845 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC000115219584 473545838 /nfs/dbraw/zinc/54/58/38/473545838.db2.gz CZPSQIWRVHQSOT-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000170610011 473564564 /nfs/dbraw/zinc/56/45/64/473564564.db2.gz VMJGLAXEZQXFNS-ZDUSSCGKSA-N -1 0 338.363 2.682 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000170688209 473586515 /nfs/dbraw/zinc/58/65/15/473586515.db2.gz ORHJQBYNNVEHHG-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000186349496 473656711 /nfs/dbraw/zinc/65/67/11/473656711.db2.gz JUUQDGKNVBGCRS-GFCCVEGCSA-N -1 0 331.715 2.948 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179459484 473688547 /nfs/dbraw/zinc/68/85/47/473688547.db2.gz UVGYWCMHNXPNHW-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000172834615 473690826 /nfs/dbraw/zinc/69/08/26/473690826.db2.gz SZIMLYHEJFBCJF-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186575548 473692786 /nfs/dbraw/zinc/69/27/86/473692786.db2.gz OTRSIYKLNUCURG-UHFFFAOYSA-N -1 0 346.333 2.831 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000186704441 473734474 /nfs/dbraw/zinc/73/44/74/473734474.db2.gz CPBYWGICNXXXSV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000263232466 473744568 /nfs/dbraw/zinc/74/45/68/473744568.db2.gz CQCXZSCOGKYZEL-HNNXBMFYSA-N -1 0 345.395 2.587 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(OC)c1OC ZINC000263258488 473745899 /nfs/dbraw/zinc/74/58/99/473745899.db2.gz ULDSHKTXQNXTAC-TZMCWYRMSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263261069 473746228 /nfs/dbraw/zinc/74/62/28/473746228.db2.gz QHJADXCZISMOLH-HNAYVOBHSA-N -1 0 344.411 2.648 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263462093 473757229 /nfs/dbraw/zinc/75/72/29/473757229.db2.gz IYAOMNQOKXFALQ-IBGZPJMESA-N -1 0 335.407 2.767 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000245901146 473758267 /nfs/dbraw/zinc/75/82/67/473758267.db2.gz LDTKHNIAJPGUAJ-OWCLPIDISA-N -1 0 346.452 2.970 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000193361247 473783270 /nfs/dbraw/zinc/78/32/70/473783270.db2.gz BAKZZPNKVGYDFT-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000193708844 473803713 /nfs/dbraw/zinc/80/37/13/473803713.db2.gz YNLCFPMJOAQPMU-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1CC ZINC000187201282 473836226 /nfs/dbraw/zinc/83/62/26/473836226.db2.gz YBIIELQDMPPMBM-UHFFFAOYSA-N -1 0 344.436 2.966 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC000281796576 473840240 /nfs/dbraw/zinc/84/02/40/473840240.db2.gz SOTMSSQONUCAGM-CYBMUJFWSA-N -1 0 343.452 2.956 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187726925 473909113 /nfs/dbraw/zinc/90/91/13/473909113.db2.gz FXRTWZCUXPGSHZ-LLVKDONJSA-N -1 0 346.412 2.535 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)cc1CC ZINC000187763611 473917126 /nfs/dbraw/zinc/91/71/26/473917126.db2.gz FPGWVFVKXAOCQW-UHFFFAOYSA-N -1 0 332.429 2.700 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1 ZINC000194782425 473952741 /nfs/dbraw/zinc/95/27/41/473952741.db2.gz NSNIYICSTYUBFF-UHFFFAOYSA-N -1 0 332.385 2.790 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000194855224 473965215 /nfs/dbraw/zinc/96/52/15/473965215.db2.gz ZVTIPFJUSIJURI-UHFFFAOYSA-N -1 0 340.792 2.594 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1 ZINC000194897430 473973183 /nfs/dbraw/zinc/97/31/83/473973183.db2.gz QGBGULGNYLUAGT-UHFFFAOYSA-N -1 0 346.412 2.865 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(Oc3ccccc3)ccn2)[n-]c1C#N ZINC000174245732 474012984 /nfs/dbraw/zinc/01/29/84/474012984.db2.gz CGSSTTGVFNCMBU-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000181288160 474021552 /nfs/dbraw/zinc/02/15/52/474021552.db2.gz XZZHWPBVVPLYBZ-VOTSOKGWSA-N -1 0 347.223 2.756 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000264600939 474056434 /nfs/dbraw/zinc/05/64/34/474056434.db2.gz BMUFIKDTACRGMW-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C2CC2)cc1 ZINC000181870388 474067837 /nfs/dbraw/zinc/06/78/37/474067837.db2.gz WBVWVKCZWWKCEK-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]c1-c1ccncc1 ZINC000188374831 474074766 /nfs/dbraw/zinc/07/47/66/474074766.db2.gz IJIIRDNLIVRXSB-UHFFFAOYSA-N -1 0 333.351 2.864 20 30 EFEDRM Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000195496718 474084004 /nfs/dbraw/zinc/08/40/04/474084004.db2.gz KHQRWUOOOJQNCL-CMDGGOBGSA-N -1 0 340.404 2.526 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)NOCCC(F)(F)F ZINC000275200338 474102529 /nfs/dbraw/zinc/10/25/29/474102529.db2.gz HRGXMHQTIXZTTF-UHFFFAOYSA-N -1 0 347.293 2.589 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000174991312 474128907 /nfs/dbraw/zinc/12/89/07/474128907.db2.gz UIJOCZZHYHGXON-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cnn(C(C)C)c2)cc1CC(=O)[O-] ZINC000264864204 474154362 /nfs/dbraw/zinc/15/43/62/474154362.db2.gz OWNXJEQEJGSNNT-GQCTYLIASA-N -1 0 328.368 2.996 20 30 EFEDRM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188799397 474200364 /nfs/dbraw/zinc/20/03/64/474200364.db2.gz BSOREUYWEFVMHS-LBPRGKRZSA-N -1 0 338.363 2.868 20 30 EFEDRM COCCn1c(NC(=O)c2ccc(C#N)c([O-])c2)nc2ccccc21 ZINC000188816851 474206207 /nfs/dbraw/zinc/20/62/07/474206207.db2.gz BOHIDNDMKDBVCW-UHFFFAOYSA-N -1 0 336.351 2.512 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1Br ZINC000225713011 474238114 /nfs/dbraw/zinc/23/81/14/474238114.db2.gz SUACONAATGNPDK-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000182834479 474268288 /nfs/dbraw/zinc/26/82/88/474268288.db2.gz VSLIWNJAHVWBCT-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)[C@H](O)C(F)(F)F ZINC000270835752 474286388 /nfs/dbraw/zinc/28/63/88/474286388.db2.gz GZUUJWNZSBZSRW-SCZZXKLOSA-N -1 0 347.230 2.875 20 30 EFEDRM CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)[C@H](O)C(F)(F)F ZINC000270835755 474287566 /nfs/dbraw/zinc/28/75/66/474287566.db2.gz GZUUJWNZSBZSRW-WPRPVWTQSA-N -1 0 347.230 2.875 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c(Cl)c1 ZINC000183078136 474321403 /nfs/dbraw/zinc/32/14/03/474321403.db2.gz WQVYRWGKLROUHB-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183126790 474334736 /nfs/dbraw/zinc/33/47/36/474334736.db2.gz CDNXKTNSSNLVGD-CYBMUJFWSA-N -1 0 348.428 2.631 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(C#N)CCCCC2)n1 ZINC000175920860 474340971 /nfs/dbraw/zinc/34/09/71/474340971.db2.gz VDGVMSIXOVBOCJ-UHFFFAOYSA-N -1 0 342.374 2.982 20 30 EFEDRM Cn1cc(CNc2nnc(C(F)F)o2)c(-c2ccc(C#N)cc2)n1 ZINC000189293415 474350999 /nfs/dbraw/zinc/35/09/99/474350999.db2.gz OIFOQJZOUHYMKP-UHFFFAOYSA-N -1 0 330.298 2.891 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)nn1CCC#N ZINC000271015412 474369214 /nfs/dbraw/zinc/36/92/14/474369214.db2.gz DZWOVGABUSAAHY-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2O1 ZINC000275959833 474372742 /nfs/dbraw/zinc/37/27/42/474372742.db2.gz BEMSXEZIRAUYNZ-INIZCTEOSA-N -1 0 345.380 2.651 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000275975649 474378146 /nfs/dbraw/zinc/37/81/46/474378146.db2.gz AOPCKLWOPBSOOR-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)nn1CCC#N ZINC000271035048 474378380 /nfs/dbraw/zinc/37/83/80/474378380.db2.gz JATXPAISAAUHKU-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(F)c1 ZINC000608851983 480101218 /nfs/dbraw/zinc/10/12/18/480101218.db2.gz KNNJKJLHBQEJGY-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000276173128 474441079 /nfs/dbraw/zinc/44/10/79/474441079.db2.gz RLZACOPLFNJZEY-WXHSDQCUSA-N -1 0 334.397 2.509 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237952586 474509574 /nfs/dbraw/zinc/50/95/74/474509574.db2.gz KBEUXOLHVXGICA-RDTXFTJFSA-N -1 0 342.395 2.706 20 30 EFEDRM C#CCC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCCC1 ZINC000276414713 474533392 /nfs/dbraw/zinc/53/33/92/474533392.db2.gz HOCNPDWFAAQTDQ-UHFFFAOYSA-N -1 0 325.368 2.942 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)cc1CC(=O)[O-] ZINC000276606354 474567564 /nfs/dbraw/zinc/56/75/64/474567564.db2.gz IUYWHJOAFKEFOR-VOTSOKGWSA-N -1 0 343.383 2.565 20 30 EFEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290442543 474572601 /nfs/dbraw/zinc/57/26/01/474572601.db2.gz CFLWSVQADVFCOS-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1 ZINC000276946804 474575086 /nfs/dbraw/zinc/57/50/86/474575086.db2.gz WSZPLQKURBNFAA-CQSZACIVSA-N -1 0 342.461 2.751 20 30 EFEDRM C=CCc1ccc(OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c(OC)c1 ZINC000277325679 474581482 /nfs/dbraw/zinc/58/14/82/474581482.db2.gz XTBZEEXFZHRMSW-UHFFFAOYSA-N -1 0 345.317 2.786 20 30 EFEDRM CCc1nnc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000290677227 474582259 /nfs/dbraw/zinc/58/22/59/474582259.db2.gz ZEWXGKJSASSCEA-LHHJGKSTSA-N -1 0 326.765 2.987 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290702190 474583275 /nfs/dbraw/zinc/58/32/75/474583275.db2.gz NNBXVXOBTQAIRT-SNVBAGLBSA-N -1 0 329.297 2.592 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(-c2cccs2)o1 ZINC000190352864 474584490 /nfs/dbraw/zinc/58/44/90/474584490.db2.gz JYUWFOYNQFAWEY-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)CC(=O)[O-])cc1OC ZINC000271936953 474598366 /nfs/dbraw/zinc/59/83/66/474598366.db2.gz CTDZQLPIADUHFH-CFNZNRNTSA-N -1 0 333.384 2.500 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000184763002 474602844 /nfs/dbraw/zinc/60/28/44/474602844.db2.gz VLUYFYCMPMEHCC-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184770014 474604680 /nfs/dbraw/zinc/60/46/80/474604680.db2.gz AMXDXGBODOFKJH-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(CCC(C)C)o2)ccc1C#N ZINC000278395689 474632246 /nfs/dbraw/zinc/63/22/46/474632246.db2.gz NLHMMLGVJXGLBI-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340820257 474689808 /nfs/dbraw/zinc/68/98/08/474689808.db2.gz LFQUJSHYVYXKHX-UHFFFAOYSA-N -1 0 349.393 2.879 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCO[C@H](c3cccnc3)C2)s1 ZINC000629086669 480121277 /nfs/dbraw/zinc/12/12/77/480121277.db2.gz QETBHAJOQYDGBQ-OLZOCXBDSA-N -1 0 334.470 2.965 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1c(C)nn(C)c1Oc1cccnc1 ZINC000291842413 474714577 /nfs/dbraw/zinc/71/45/77/474714577.db2.gz HPTQKOLYNWZFNI-UHFFFAOYSA-N -1 0 336.417 2.624 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000291881535 474732694 /nfs/dbraw/zinc/73/26/94/474732694.db2.gz NCBWABZMIQIZPW-ZDUSSCGKSA-N -1 0 331.821 2.660 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1OC ZINC000344442687 474746134 /nfs/dbraw/zinc/74/61/34/474746134.db2.gz MMCIVCICJMMCDD-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H](C(=O)OC)c2ccsc2)s1 ZINC000344605547 474771147 /nfs/dbraw/zinc/77/11/47/474771147.db2.gz DATLNZOFJNMEIP-VIFPVBQESA-N -1 0 327.456 2.626 20 30 EFEDRM CCOC(=O)N[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000255212661 474820701 /nfs/dbraw/zinc/82/07/01/474820701.db2.gz NDSSYJGQVXVKPC-ZLYHGVDXSA-N -1 0 337.376 2.880 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C\Sc2ccccc2)c1 ZINC000255232669 474823339 /nfs/dbraw/zinc/82/33/39/474823339.db2.gz XDMJBLQWBQXSBY-KTKRTIGZSA-N -1 0 344.417 2.669 20 30 EFEDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)n[nH]2)c1 ZINC000340964970 474826424 /nfs/dbraw/zinc/82/64/24/474826424.db2.gz HKZPYOATDQBDLU-UHFFFAOYSA-N -1 0 346.343 2.790 20 30 EFEDRM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2s1 ZINC000340965270 474826877 /nfs/dbraw/zinc/82/68/77/474826877.db2.gz IBVVJXVFIBJLGP-UHFFFAOYSA-N -1 0 335.366 2.570 20 30 EFEDRM COc1cc(/C=C\C(=O)N(C)CCC#N)cc(Br)c1O ZINC000255307699 474830750 /nfs/dbraw/zinc/83/07/50/474830750.db2.gz BXMGDISDGKBPOK-PLNGDYQASA-N -1 0 339.189 2.549 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc(CC)nc2C)n1 ZINC000345069644 474863085 /nfs/dbraw/zinc/86/30/85/474863085.db2.gz SHWVELQTLCRKHI-SECBINFHSA-N -1 0 333.369 2.669 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000316224719 474878011 /nfs/dbraw/zinc/87/80/11/474878011.db2.gz HARRNDHNNYCHBE-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[n-]1 ZINC000345161796 474948215 /nfs/dbraw/zinc/94/82/15/474948215.db2.gz JFKZFXUGLIHNRV-UHFFFAOYSA-N -1 0 339.311 2.664 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000323456045 474948965 /nfs/dbraw/zinc/94/89/65/474948965.db2.gz AKSROIFTDURFLP-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000324104962 474960605 /nfs/dbraw/zinc/96/06/05/474960605.db2.gz KHTWNPYEOFKMAW-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1ccncn1 ZINC000345176239 474964530 /nfs/dbraw/zinc/96/45/30/474964530.db2.gz YVTKVWKIZJHYSW-LLVKDONJSA-N -1 0 339.305 2.739 20 30 EFEDRM O=C([N-]Cc1cc(NC(=O)C(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000279650603 474982895 /nfs/dbraw/zinc/98/28/95/474982895.db2.gz BIPRGFMNBGFLOW-UHFFFAOYSA-N -1 0 346.202 2.790 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273629344 474997791 /nfs/dbraw/zinc/99/77/91/474997791.db2.gz AELFVWLWQGVIIZ-UHFFFAOYSA-N -1 0 333.768 2.516 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1CC(=O)[O-] ZINC000279968745 475002786 /nfs/dbraw/zinc/00/27/86/475002786.db2.gz DBJVCLMGRVCWLC-AATRIKPKSA-N -1 0 328.368 2.996 20 30 EFEDRM N#Cc1ccc(OCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000326721127 475011040 /nfs/dbraw/zinc/01/10/40/475011040.db2.gz BTWSDQDPWBCSDF-QGZVFWFLSA-N -1 0 338.363 2.659 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326982423 475013611 /nfs/dbraw/zinc/01/36/11/475013611.db2.gz VGADBWHSIRHQPG-CYBMUJFWSA-N -1 0 338.363 2.981 20 30 EFEDRM CCc1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1O ZINC000293648431 475045329 /nfs/dbraw/zinc/04/53/29/475045329.db2.gz GSTYDJWCIOTGIZ-INIZCTEOSA-N -1 0 337.379 2.515 20 30 EFEDRM N#Cc1cnc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c(Cl)c1 ZINC000339218343 475050655 /nfs/dbraw/zinc/05/06/55/475050655.db2.gz RGGWTXCLSRDJLN-UHFFFAOYSA-N -1 0 335.754 2.738 20 30 EFEDRM CCc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(C#N)o1 ZINC000286720961 475077770 /nfs/dbraw/zinc/07/77/70/475077770.db2.gz BQOKBIOJGCQXQS-CQSZACIVSA-N -1 0 332.381 2.516 20 30 EFEDRM C=CCCO[C@H](C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000268936337 475082436 /nfs/dbraw/zinc/08/24/36/475082436.db2.gz CCFCSEFXRAIFEZ-CQSZACIVSA-N -1 0 335.400 2.528 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@@H]1C#N ZINC000286919251 475085122 /nfs/dbraw/zinc/08/51/22/475085122.db2.gz CSZAKKVLFLXZAO-OAHLLOKOSA-N -1 0 342.374 2.871 20 30 EFEDRM C=CCN(CCOC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613933100 480149454 /nfs/dbraw/zinc/14/94/54/480149454.db2.gz HTPQDKLCIRUACV-UHFFFAOYSA-N -1 0 335.791 2.506 20 30 EFEDRM Cc1nc(C(C)(C)NC(=O)CSc2n[nH]c(=O)[n-]2)sc1C ZINC000330134983 475202672 /nfs/dbraw/zinc/20/26/72/475202672.db2.gz MPPPSNZSEJWRFD-UHFFFAOYSA-N -1 0 327.435 2.568 20 30 EFEDRM COc1cccc(NC2CCN(C(=O)N=c3cn[n-]s3)CC2)c1 ZINC000330208071 475212104 /nfs/dbraw/zinc/21/21/04/475212104.db2.gz ASXPDXYFFQWNLB-UHFFFAOYSA-N -1 0 333.417 2.669 20 30 EFEDRM CC(C)CSCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000339456372 475226314 /nfs/dbraw/zinc/22/63/14/475226314.db2.gz YUZTVTYVLGCAKD-UHFFFAOYSA-N -1 0 348.440 2.894 20 30 EFEDRM CC(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000330353663 475233618 /nfs/dbraw/zinc/23/36/18/475233618.db2.gz OSQRTBYUQWEFFW-GHMZBOCLSA-N -1 0 326.466 2.645 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000341720429 475249074 /nfs/dbraw/zinc/24/90/74/475249074.db2.gz HAISGBHTKGMBOL-UHFFFAOYSA-N -1 0 339.351 2.945 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337739952 475285745 /nfs/dbraw/zinc/28/57/45/475285745.db2.gz CKJYPUXTPDBQOX-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1ccc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)c(C)c1 ZINC000341770602 475287747 /nfs/dbraw/zinc/28/77/47/475287747.db2.gz FFRWCQQLKXSFCW-HSZRJFAPSA-N -1 0 326.421 2.599 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000330997532 475299765 /nfs/dbraw/zinc/29/97/65/475299765.db2.gz YFHWUUXMTLABNU-MRVPVSSYSA-N -1 0 338.437 2.680 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000337779322 475316084 /nfs/dbraw/zinc/31/60/84/475316084.db2.gz RXNVKKPDTCXWLK-UHFFFAOYSA-N -1 0 348.403 2.951 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1 ZINC000337786984 475323815 /nfs/dbraw/zinc/32/38/15/475323815.db2.gz XTQXILJINDBCQJ-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CCOC(=O)c1[n-]c(=NC(=O)N2[C@H](C)CC[C@@H]2C)sc1C(C)=O ZINC000331303659 475335254 /nfs/dbraw/zinc/33/52/54/475335254.db2.gz FPZHLEBYKISXCI-DTORHVGOSA-N -1 0 339.417 2.941 20 30 EFEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(COC)c1 ZINC000345678367 475358788 /nfs/dbraw/zinc/35/87/88/475358788.db2.gz TUWGCBHIFQBMRT-UHFFFAOYSA-N -1 0 345.424 2.937 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2)n1 ZINC000345726254 475398399 /nfs/dbraw/zinc/39/83/99/475398399.db2.gz SYZHHVRUFWGELR-LLVKDONJSA-N -1 0 332.385 2.587 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(F)F ZINC000341994626 475487390 /nfs/dbraw/zinc/48/73/90/475487390.db2.gz RAPIEGJHMFGREC-JTQLQIEISA-N -1 0 329.310 2.963 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(F)F ZINC000341994638 475487747 /nfs/dbraw/zinc/48/77/47/475487747.db2.gz RAPIEGJHMFGREC-SNVBAGLBSA-N -1 0 329.310 2.963 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345874196 475527506 /nfs/dbraw/zinc/52/75/06/475527506.db2.gz NXVFYKIORWBQAH-HNNXBMFYSA-N -1 0 328.755 2.962 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000342173256 475569136 /nfs/dbraw/zinc/56/91/36/475569136.db2.gz CHYTYKGHXVYJFP-AWEZNQCLSA-N -1 0 343.427 2.616 20 30 EFEDRM N#Cc1cccc(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000339878239 475585951 /nfs/dbraw/zinc/58/59/51/475585951.db2.gz KQCOYOBAACDTDN-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000342442847 475601626 /nfs/dbraw/zinc/60/16/26/475601626.db2.gz AXOHELTUCWMBOB-JTQLQIEISA-N -1 0 326.381 2.666 20 30 EFEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc2ccccc2[nH]1 ZINC000338186773 475660367 /nfs/dbraw/zinc/66/03/67/475660367.db2.gz BEFGCFBIRYKKED-CQSZACIVSA-N -1 0 342.362 2.693 20 30 EFEDRM COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc(OC)c1C(C)C ZINC000358447600 475686709 /nfs/dbraw/zinc/68/67/09/475686709.db2.gz AEMHFRGQKUBVJJ-UHFFFAOYSA-N -1 0 339.355 2.546 20 30 EFEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1NC(=O)N(C)C ZINC000358482114 475714187 /nfs/dbraw/zinc/71/41/87/475714187.db2.gz ZUYYEXRVIGYAGM-UHFFFAOYSA-N -1 0 338.367 2.918 20 30 EFEDRM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnn(C)n3)sc2C1 ZINC000297810560 475894100 /nfs/dbraw/zinc/89/41/00/475894100.db2.gz PEZMTMBJFBOLKN-JTQLQIEISA-N -1 0 329.429 2.761 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(SCC3(C#N)CC3)s2)cc1 ZINC000349162932 475912071 /nfs/dbraw/zinc/91/20/71/475912071.db2.gz YCUQFOOCQXKOGL-UHFFFAOYSA-N -1 0 332.454 2.977 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC000358798635 475947475 /nfs/dbraw/zinc/94/74/75/475947475.db2.gz HPOLSYIESJMHMG-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000358830030 475971564 /nfs/dbraw/zinc/97/15/64/475971564.db2.gz JUSFHFAKEAWXLC-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM CCCSc1nc(=NC(=O)NCC(C)(C)CCC#N)s[n-]1 ZINC000349700806 475988166 /nfs/dbraw/zinc/98/81/66/475988166.db2.gz FDSXNNZSXYVUIR-UHFFFAOYSA-N -1 0 327.479 2.914 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000338583242 476028450 /nfs/dbraw/zinc/02/84/50/476028450.db2.gz SYVDEOKGEFMQJH-CQSZACIVSA-N -1 0 337.335 2.738 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)nc1 ZINC000350145948 476067825 /nfs/dbraw/zinc/06/78/25/476067825.db2.gz YUTQSZYONZQOSM-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nc2ccccc2o1 ZINC000353554463 476072261 /nfs/dbraw/zinc/07/22/61/476072261.db2.gz KTJURXALWIKCCN-ZDUSSCGKSA-N -1 0 348.362 2.882 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000338665368 476096753 /nfs/dbraw/zinc/09/67/53/476096753.db2.gz AUVOTILBENNQOM-LBPRGKRZSA-N -1 0 349.437 2.581 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000336846538 476140817 /nfs/dbraw/zinc/14/08/17/476140817.db2.gz ATBDBHQMTNHHDX-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000336865076 476148478 /nfs/dbraw/zinc/14/84/78/476148478.db2.gz JDMMAGRGSPKVSK-UHFFFAOYSA-N -1 0 325.430 2.584 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1C#N ZINC000336871940 476153755 /nfs/dbraw/zinc/15/37/55/476153755.db2.gz JASGZPKKYHALLK-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cccc(C)c1OC[C@@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344296914 476225794 /nfs/dbraw/zinc/22/57/94/476225794.db2.gz AQCWIVMACKRYJG-CYBMUJFWSA-N -1 0 334.397 2.514 20 30 EFEDRM C=CCN(CCC#N)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000359380763 476227672 /nfs/dbraw/zinc/22/76/72/476227672.db2.gz MUFIIJJPUPDJPJ-UHFFFAOYSA-N -1 0 328.347 2.567 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000362435453 476245920 /nfs/dbraw/zinc/24/59/20/476245920.db2.gz UEYOWFMACBOKEI-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)o1 ZINC000340770521 476261774 /nfs/dbraw/zinc/26/17/74/476261774.db2.gz CMGSBTMDIPCSCS-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000357154046 476266537 /nfs/dbraw/zinc/26/65/37/476266537.db2.gz VPEMAEFUEXTBHB-UHFFFAOYSA-N -1 0 340.364 2.773 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1-c1ccccc1 ZINC000357168167 476273452 /nfs/dbraw/zinc/27/34/52/476273452.db2.gz AYOQIXHGCCVJIC-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C=CCn1c(COc2ccc(Cl)cc2)n[n-]c1=Nc1cnn(C)c1 ZINC000350669547 476287712 /nfs/dbraw/zinc/28/77/12/476287712.db2.gz ZENZQFIWMKIXPW-UHFFFAOYSA-N -1 0 344.806 2.596 20 30 EFEDRM C=CCn1c([C@@H]2CCO[C@@H]2C(C)(C)C)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000350741266 476296302 /nfs/dbraw/zinc/29/63/02/476296302.db2.gz MPBJUIGFMUUADD-HIFRSBDPSA-N -1 0 344.463 2.888 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000360283647 476297442 /nfs/dbraw/zinc/29/74/42/476297442.db2.gz BODWHNIJYDXLLW-UHFFFAOYSA-N -1 0 336.804 2.715 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000360410135 476301955 /nfs/dbraw/zinc/30/19/55/476301955.db2.gz DUCWIASWKCMASX-UHFFFAOYSA-N -1 0 330.363 2.777 20 30 EFEDRM Cc1[nH]nc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1C#N ZINC000357245312 476303526 /nfs/dbraw/zinc/30/35/26/476303526.db2.gz QKNSHCHCPUYROV-UHFFFAOYSA-N -1 0 327.731 2.749 20 30 EFEDRM CCCOc1nc(C(=O)N=c2[nH][n-]c(C)c2C#N)cc2ccccc21 ZINC000357264261 476308486 /nfs/dbraw/zinc/30/84/86/476308486.db2.gz VQDNTOWYTYLLMM-UHFFFAOYSA-N -1 0 335.367 2.601 20 30 EFEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000350920716 476313939 /nfs/dbraw/zinc/31/39/39/476313939.db2.gz RTTLADWUNSTOSZ-TZMCWYRMSA-N -1 0 340.431 2.971 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000362660197 476343842 /nfs/dbraw/zinc/34/38/42/476343842.db2.gz ZSDQEBNDKSLTFO-UHFFFAOYSA-N -1 0 334.426 2.681 20 30 EFEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357385070 476352460 /nfs/dbraw/zinc/35/24/60/476352460.db2.gz IHMYPMGLSMANTO-LBPRGKRZSA-N -1 0 333.417 2.558 20 30 EFEDRM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N)OCO2 ZINC000360771738 476378088 /nfs/dbraw/zinc/37/80/88/476378088.db2.gz JSBRSQPSWONEFX-UHFFFAOYSA-N -1 0 334.328 2.535 20 30 EFEDRM Cc1nc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)ccc1C#N ZINC000377442173 476398887 /nfs/dbraw/zinc/39/88/87/476398887.db2.gz BJKUXEWQYFPUHW-UHFFFAOYSA-N -1 0 327.394 2.516 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000352191367 476537273 /nfs/dbraw/zinc/53/72/73/476537273.db2.gz HHBNQTHZHSRKND-UHFFFAOYSA-N -1 0 337.422 2.746 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)o1 ZINC000361114510 476609331 /nfs/dbraw/zinc/60/93/31/476609331.db2.gz DQDBTGQAGQZUST-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(F)c(F)c2)cc1C#N ZINC000354458774 476673457 /nfs/dbraw/zinc/67/34/57/476673457.db2.gz QDKSOBFOENZWOD-UHFFFAOYSA-N -1 0 335.335 2.589 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCCC1 ZINC000422644474 476728802 /nfs/dbraw/zinc/72/88/02/476728802.db2.gz OYWPJDYKMUZJMI-UHFFFAOYSA-N -1 0 344.411 2.505 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000384939096 476758504 /nfs/dbraw/zinc/75/85/04/476758504.db2.gz JRRGSOHLHJPASX-UHFFFAOYSA-N -1 0 339.457 2.729 20 30 EFEDRM CC(=Cc1cnn(Cc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000390835331 476806472 /nfs/dbraw/zinc/80/64/72/476806472.db2.gz LBKQTHAQIRMUFL-JYRVWZFOSA-N -1 0 331.379 2.755 20 30 EFEDRM C[C@@H]1CCc2sc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)c(C#N)c2[C@@H]1C ZINC000414102422 476872700 /nfs/dbraw/zinc/87/27/00/476872700.db2.gz SXLGHEXCWBKYBL-PKZYVASSSA-N -1 0 348.424 2.876 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1F ZINC000446635087 476899341 /nfs/dbraw/zinc/89/93/41/476899341.db2.gz RWBDDPQHEYSNHP-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)n[nH]2)o1 ZINC000446639811 476899418 /nfs/dbraw/zinc/89/94/18/476899418.db2.gz XCDVXFVLUKMJGK-UHFFFAOYSA-N -1 0 342.380 2.959 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)ccc1C#N ZINC000446825157 476923188 /nfs/dbraw/zinc/92/31/88/476923188.db2.gz YIYDFIQAMSRDPP-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)ccc1C#N ZINC000446821658 476923792 /nfs/dbraw/zinc/92/37/92/476923792.db2.gz RMUBXZSTJUZEIO-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)ccc1C#N ZINC000446827825 476923926 /nfs/dbraw/zinc/92/39/26/476923926.db2.gz QJSDEPOSBVKKEA-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1cc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)ccc1C#N ZINC000446963495 476937381 /nfs/dbraw/zinc/93/73/81/476937381.db2.gz ZACDOZUCXMKCPN-KRWDZBQOSA-N -1 0 332.363 2.960 20 30 EFEDRM Cc1cc(CN=c2[n-]nc(-c3ccc4c(c3)OCO4)o2)ccc1C#N ZINC000446964841 476938066 /nfs/dbraw/zinc/93/80/66/476938066.db2.gz GUOKTUYOGOXYNW-UHFFFAOYSA-N -1 0 334.335 2.679 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000430981213 476955651 /nfs/dbraw/zinc/95/56/51/476955651.db2.gz JBRJDZNRVXZANC-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000447111002 476956182 /nfs/dbraw/zinc/95/61/82/476956182.db2.gz CLUXWYCMRITRED-UHFFFAOYSA-N -1 0 342.399 2.822 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000447156897 476959629 /nfs/dbraw/zinc/95/96/29/476959629.db2.gz RMBNVAYHMUKWGV-NSHDSACASA-N -1 0 327.377 2.562 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000431527846 477046452 /nfs/dbraw/zinc/04/64/52/477046452.db2.gz HJXQTIZMFVLBGV-UHFFFAOYSA-N -1 0 326.352 2.916 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1C#N ZINC000431679041 477073400 /nfs/dbraw/zinc/07/34/00/477073400.db2.gz OUHRWIMXWFCVMF-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1C#N ZINC000431697523 477077439 /nfs/dbraw/zinc/07/74/39/477077439.db2.gz IMKUGLVFRFMSBX-MRVPVSSYSA-N -1 0 339.182 2.725 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480696 477184688 /nfs/dbraw/zinc/18/46/88/477184688.db2.gz SIGQCAUONNOHHN-NHYWBVRUSA-N -1 0 342.848 2.639 20 30 EFEDRM CC/C=C\CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416492374 477186297 /nfs/dbraw/zinc/18/62/97/477186297.db2.gz CYFUVGFWLSAEQJ-ARJAWSKDSA-N -1 0 329.219 2.565 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)n1 ZINC000453622225 477255114 /nfs/dbraw/zinc/25/51/14/477255114.db2.gz AFNVFRWKNOOOIT-NSHDSACASA-N -1 0 346.412 2.896 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416839305 477331564 /nfs/dbraw/zinc/33/15/64/477331564.db2.gz NWWRNWHVKLOJIN-AWEZNQCLSA-N -1 0 341.440 2.983 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1OC ZINC000424256276 477344007 /nfs/dbraw/zinc/34/40/07/477344007.db2.gz MKZUWCYIOBYBPA-WBMJQRKESA-N -1 0 333.384 2.585 20 30 EFEDRM CC#CCN(C)C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000454732209 477351871 /nfs/dbraw/zinc/35/18/71/477351871.db2.gz IJYIFNTXUFTPAB-CQSZACIVSA-N -1 0 328.441 2.989 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435718329 477356014 /nfs/dbraw/zinc/35/60/14/477356014.db2.gz CRTXXEYDFNZDTI-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000435746011 477364354 /nfs/dbraw/zinc/36/43/54/477364354.db2.gz SJVNCFGYODVDJP-KBPBESRZSA-N -1 0 344.440 2.730 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000416939211 477378263 /nfs/dbraw/zinc/37/82/63/477378263.db2.gz MPJUXJDQBRXECS-NSHDSACASA-N -1 0 343.836 2.522 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416964066 477390433 /nfs/dbraw/zinc/39/04/33/477390433.db2.gz SATQNDAFFUVJTN-LLVKDONJSA-N -1 0 325.390 2.936 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(C)cc1OC ZINC000416963898 477390459 /nfs/dbraw/zinc/39/04/59/477390459.db2.gz RTMYUVLACMTUGN-VIFPVBQESA-N -1 0 347.234 2.810 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000417147233 477447508 /nfs/dbraw/zinc/44/75/08/477447508.db2.gz ZIVMBICUMPFQDO-TZMCWYRMSA-N -1 0 346.456 2.976 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000417147230 477447877 /nfs/dbraw/zinc/44/78/77/477447877.db2.gz ZIVMBICUMPFQDO-GXTWGEPZSA-N -1 0 346.456 2.976 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449146877 477459467 /nfs/dbraw/zinc/45/94/67/477459467.db2.gz OTHOMQOOFGIQIE-SWLSCSKDSA-N -1 0 332.400 2.721 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1-c1ncco1 ZINC000367455592 477520236 /nfs/dbraw/zinc/52/02/36/477520236.db2.gz IIGGAYPOAAPBCC-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000455160324 477523569 /nfs/dbraw/zinc/52/35/69/477523569.db2.gz SFNXOTPGAZEVSP-UHFFFAOYSA-N -1 0 332.429 2.969 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436675173 477553206 /nfs/dbraw/zinc/55/32/06/477553206.db2.gz JYDPBHNBXZHMHT-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM C=CCN(CCOC)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436671560 477554131 /nfs/dbraw/zinc/55/41/31/477554131.db2.gz ACFPXPZWSGVWPQ-UHFFFAOYSA-N -1 0 332.169 2.568 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436731890 477574202 /nfs/dbraw/zinc/57/42/02/477574202.db2.gz REDWJEWRZLSXCN-CQSZACIVSA-N -1 0 325.324 2.857 20 30 EFEDRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000436878189 477621105 /nfs/dbraw/zinc/62/11/05/477621105.db2.gz DMSAPDHNDLYJFF-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000377124999 477654937 /nfs/dbraw/zinc/65/49/37/477654937.db2.gz ZYNLRJMHENTDFP-OXQOHEQNSA-N -1 0 332.407 2.813 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000425649896 477692994 /nfs/dbraw/zinc/69/29/94/477692994.db2.gz WRQCBAUIFORANP-QMMMGPOBSA-N -1 0 337.355 2.994 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1C#N ZINC000377232728 477703045 /nfs/dbraw/zinc/70/30/45/477703045.db2.gz IUQCZUXTEPVZHB-UHFFFAOYSA-N -1 0 337.770 2.979 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cn(CC(=O)[O-])nn1)CCO2 ZINC000372287694 477737151 /nfs/dbraw/zinc/73/71/51/477737151.db2.gz KZAHCXURNHIQBE-QPEQYQDCSA-N -1 0 341.367 2.535 20 30 EFEDRM COc1ccccc1-c1n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s1 ZINC000455766841 477747161 /nfs/dbraw/zinc/74/71/61/477747161.db2.gz UFYFFHFIYQVGIL-UHFFFAOYSA-N -1 0 345.428 2.649 20 30 EFEDRM Cc1nc(SCC(=O)NCCC(C)(C)C(=O)[O-])c(C#N)c(C)c1C ZINC000455903344 477780348 /nfs/dbraw/zinc/78/03/48/477780348.db2.gz PUVZMGXOQXTWBW-UHFFFAOYSA-N -1 0 349.456 2.588 20 30 EFEDRM C[C@@H](NC(=O)c1cccc(CC#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455907184 477781476 /nfs/dbraw/zinc/78/14/76/477781476.db2.gz AFWYBIVJDBWHKY-RDTXWAMCSA-N -1 0 336.391 2.814 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC#N)c1 ZINC000451052511 477803489 /nfs/dbraw/zinc/80/34/89/477803489.db2.gz FJGWIJXSPFFXJC-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)cn1 ZINC000451084825 477814950 /nfs/dbraw/zinc/81/49/50/477814950.db2.gz KLYDOBPNCPBWSS-UHFFFAOYSA-N -1 0 348.428 2.753 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C/C=C\C)C(=O)[O-])cc1OC ZINC000493792262 477826672 /nfs/dbraw/zinc/82/66/72/477826672.db2.gz PQBAUBFWLFFEBO-KDKUXPAWSA-N -1 0 345.395 2.809 20 30 EFEDRM C=CCSCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451124446 477836711 /nfs/dbraw/zinc/83/67/11/477836711.db2.gz IEWKEETUOIPVGH-UHFFFAOYSA-N -1 0 341.376 2.609 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000493830758 477847034 /nfs/dbraw/zinc/84/70/34/477847034.db2.gz YSZYMXZKBCYLBU-JXMROGBWSA-N -1 0 336.347 2.868 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000530284883 477880757 /nfs/dbraw/zinc/88/07/57/477880757.db2.gz GCYGKHVBQFYHFL-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000558576005 477889582 /nfs/dbraw/zinc/88/95/82/477889582.db2.gz HQXMAOZHXBBLPY-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)n[nH]2)o1 ZINC000516172933 477899469 /nfs/dbraw/zinc/89/94/69/477899469.db2.gz COLFAXMBDGCGRT-UHFFFAOYSA-N -1 0 346.343 2.790 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1c(F)ccc(C)c1C(=O)[O-] ZINC000531768261 477911466 /nfs/dbraw/zinc/91/14/66/477911466.db2.gz XMBIDFRPEORYOA-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM N#CCc1ccnc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000532184425 477920934 /nfs/dbraw/zinc/92/09/34/477920934.db2.gz IDULXPKWYHGPTL-UHFFFAOYSA-N -1 0 332.157 2.868 20 30 EFEDRM CCCOc1ccc(C(=O)N=c2[n-]n(C)cc2C#N)c(OCCC)c1 ZINC000428638875 477947354 /nfs/dbraw/zinc/94/73/54/477947354.db2.gz QTLVSXZBSKVHCN-UHFFFAOYSA-N -1 0 342.399 2.544 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439242666 477948415 /nfs/dbraw/zinc/94/84/15/477948415.db2.gz ACPGLFPGLPYGHN-UHFFFAOYSA-N -1 0 346.799 2.926 20 30 EFEDRM COc1ccc(-c2n[n-]c(=NC(=O)NCC(C)(C)CC#N)s2)cc1 ZINC000459520589 477951331 /nfs/dbraw/zinc/95/13/31/477951331.db2.gz YRVOHRRKPPRRQT-UHFFFAOYSA-N -1 0 345.428 2.697 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471924868 478011247 /nfs/dbraw/zinc/01/12/47/478011247.db2.gz OTQVBCBAOWXXJV-UHFFFAOYSA-N -1 0 329.326 2.711 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)CCC2C[C@H](C)C[C@@H](C)C2)s1 ZINC000479031322 478022441 /nfs/dbraw/zinc/02/24/41/478022441.db2.gz LYPKJDLEULBLEF-VXGBXAGGSA-N -1 0 343.518 2.794 20 30 EFEDRM N#CC1(F)CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000478984636 478022515 /nfs/dbraw/zinc/02/25/15/478022515.db2.gz FWTSOSTXBJMRRH-ARJAWSKDSA-N -1 0 347.375 2.583 20 30 EFEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000533311432 478062811 /nfs/dbraw/zinc/06/28/11/478062811.db2.gz DMKCYEKGBDTZPZ-UHFFFAOYSA-N -1 0 329.381 2.541 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n(CCC#N)n1 ZINC000517287523 478076626 /nfs/dbraw/zinc/07/66/26/478076626.db2.gz DDZHOOWRVTWPJK-UHFFFAOYSA-N -1 0 330.413 2.783 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1SCCc2ccccc21)C(=O)[O-] ZINC000560487775 478093246 /nfs/dbraw/zinc/09/32/46/478093246.db2.gz LAWUZTRNHFYHSY-LSDHHAIUSA-N -1 0 334.441 2.736 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(F)F)n1 ZINC000517649021 478110099 /nfs/dbraw/zinc/11/00/99/478110099.db2.gz PMITXIANXCQNJU-VIFPVBQESA-N -1 0 327.294 2.791 20 30 EFEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429572084 478157434 /nfs/dbraw/zinc/15/74/34/478157434.db2.gz YXKTZZVSWFUNJI-CYBMUJFWSA-N -1 0 330.351 2.941 20 30 EFEDRM CCOC(=O)N1CC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000495343043 478176097 /nfs/dbraw/zinc/17/60/97/478176097.db2.gz QZJFMUFFGPDWHC-CRZGJZTJSA-N -1 0 341.751 2.604 20 30 EFEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C1CC1 ZINC000534971161 478181183 /nfs/dbraw/zinc/18/11/83/478181183.db2.gz ADFHHARDCFOBSQ-LLVKDONJSA-N -1 0 345.428 2.799 20 30 EFEDRM C=CCN(C(=O)Nc1cccnc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000562407069 478244906 /nfs/dbraw/zinc/24/49/06/478244906.db2.gz CMICSHAHGLMJEG-MRXNPFEDSA-N -1 0 325.368 2.797 20 30 EFEDRM N#CC1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000562409192 478244996 /nfs/dbraw/zinc/24/49/96/478244996.db2.gz PDYSTLRJWSUNSF-UHFFFAOYSA-N -1 0 333.804 2.706 20 30 EFEDRM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(C)(C)CCC#N ZINC000489894209 478282946 /nfs/dbraw/zinc/28/29/46/478282946.db2.gz YGISDLJSRMVHGR-UHFFFAOYSA-N -1 0 341.415 2.611 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc1C#N ZINC000579442660 478296502 /nfs/dbraw/zinc/29/65/02/478296502.db2.gz KCFLVHAOZWEWGA-QZVGHKLESA-N -1 0 343.452 2.889 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000562647189 478297307 /nfs/dbraw/zinc/29/73/07/478297307.db2.gz AUWJSBWNNSUNID-AAEUAGOBSA-N -1 0 348.424 2.917 20 30 EFEDRM CC(C)(C)[C@H](C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597350187 478305552 /nfs/dbraw/zinc/30/55/52/478305552.db2.gz HPXJXRCDMUJTDI-ZDUSSCGKSA-N -1 0 332.791 2.899 20 30 EFEDRM C=CCc1cc(CNC(=O)C2(C(=O)[O-])CCCC2)cc(OC)c1OC ZINC000520412419 478308369 /nfs/dbraw/zinc/30/83/69/478308369.db2.gz YOGFPBGSTYJAEM-UHFFFAOYSA-N -1 0 347.411 2.694 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3n(n2)CCCO3)s1 ZINC000570264920 478321469 /nfs/dbraw/zinc/32/14/69/478321469.db2.gz HHJSYZVVPOZKMJ-JTQLQIEISA-N -1 0 330.413 2.910 20 30 EFEDRM COCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@@H]1CCC[C@H]1C ZINC000490336500 478330607 /nfs/dbraw/zinc/33/06/07/478330607.db2.gz QSWIMNADDYPOLS-BXUZGUMPSA-N -1 0 349.456 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1)C(=O)[O-] ZINC000579615988 478343579 /nfs/dbraw/zinc/34/35/79/478343579.db2.gz ZEYSHAMPZYRRHZ-CQSZACIVSA-N -1 0 347.411 2.661 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCCn1ccc2ccccc21)C(=O)[O-] ZINC000580163006 478355168 /nfs/dbraw/zinc/35/51/68/478355168.db2.gz GRXIDPSKALTTIX-HNNXBMFYSA-N -1 0 329.400 2.750 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000495839259 478356562 /nfs/dbraw/zinc/35/65/62/478356562.db2.gz FWOKGZIONGROBN-STQMWFEESA-N -1 0 349.435 2.924 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](OC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570492402 478369547 /nfs/dbraw/zinc/36/95/47/478369547.db2.gz FNXNJQBGOXFLDL-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](OC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570492403 478370232 /nfs/dbraw/zinc/37/02/32/478370232.db2.gz FNXNJQBGOXFLDL-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1 ZINC000495872366 478377158 /nfs/dbraw/zinc/37/71/58/478377158.db2.gz DPBWGSXBGSBQRY-LLVKDONJSA-N -1 0 348.403 2.873 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(F)(F)C[C@H]2C)cc1C#N ZINC000600449116 478379615 /nfs/dbraw/zinc/37/96/15/478379615.db2.gz QKHZXWGEVNDPFR-MRVPVSSYSA-N -1 0 327.356 2.641 20 30 EFEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000581645395 478407142 /nfs/dbraw/zinc/40/71/42/478407142.db2.gz WTMPYZMJNHSNBT-LBPRGKRZSA-N -1 0 346.811 2.823 20 30 EFEDRM C=CCC1(NC(=O)N=c2nc3nc(C)cc(C)n3[n-]2)CCCCC1 ZINC000570655501 478409637 /nfs/dbraw/zinc/40/96/37/478409637.db2.gz UARAKIVVDJNPBA-UHFFFAOYSA-N -1 0 328.420 2.564 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594529235 478426984 /nfs/dbraw/zinc/42/69/84/478426984.db2.gz PXGFENGMOUCVJY-DDTOSNHZSA-N -1 0 347.390 2.632 20 30 EFEDRM C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594536835 478428278 /nfs/dbraw/zinc/42/82/78/478428278.db2.gz JHPWBNGJTYANKV-UHOFOFEASA-N -1 0 343.427 2.835 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594538832 478428794 /nfs/dbraw/zinc/42/87/94/478428794.db2.gz VGYVCWXPELKUQI-MRXNPFEDSA-N -1 0 331.416 2.837 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NC[C@H](C(=O)[O-])C(C)C)c2c1 ZINC000594541708 478430074 /nfs/dbraw/zinc/43/00/74/478430074.db2.gz XOCLKDAFHSLSAR-AWEZNQCLSA-N -1 0 343.383 2.892 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000570796628 478448099 /nfs/dbraw/zinc/44/80/99/478448099.db2.gz HQGJKPOGVORLFA-XJKSGUPXSA-N -1 0 334.416 2.735 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000570796627 478448345 /nfs/dbraw/zinc/44/83/45/478448345.db2.gz HQGJKPOGVORLFA-CZUORRHYSA-N -1 0 334.416 2.735 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597670318 478457034 /nfs/dbraw/zinc/45/70/34/478457034.db2.gz QEEPZFLYHUNHOT-INIZCTEOSA-N -1 0 330.775 2.653 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1C#N ZINC000591088384 478459973 /nfs/dbraw/zinc/45/99/73/478459973.db2.gz MHZLWXKIDDLASR-AAEUAGOBSA-N -1 0 331.441 2.937 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c(C#N)cn1 ZINC000600674766 478464753 /nfs/dbraw/zinc/46/47/53/478464753.db2.gz HTEAZSOFHDQQBA-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](CC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570887138 478467307 /nfs/dbraw/zinc/46/73/07/478467307.db2.gz YUORMQSFZXMTLQ-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000570923438 478480506 /nfs/dbraw/zinc/48/05/06/478480506.db2.gz VKULRWORRQYOCI-CVEARBPZSA-N -1 0 348.399 2.785 20 30 EFEDRM CC(C)(CC#N)CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597761696 478495172 /nfs/dbraw/zinc/49/51/72/478495172.db2.gz DISVCXRNTVFHIL-UHFFFAOYSA-N -1 0 332.791 2.901 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000594690619 478496252 /nfs/dbraw/zinc/49/62/52/478496252.db2.gz MBXOLTLCCZKHOM-ZDUSSCGKSA-N -1 0 326.393 2.560 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC000594691231 478496535 /nfs/dbraw/zinc/49/65/35/478496535.db2.gz SBFJPVMIJMHSKN-KRWDZBQOSA-N -1 0 343.427 2.824 20 30 EFEDRM C=CCCSCCNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000594690181 478496819 /nfs/dbraw/zinc/49/68/19/478496819.db2.gz GWCGPKIXJDRFRC-KRWDZBQOSA-N -1 0 336.457 2.985 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000571004060 478497295 /nfs/dbraw/zinc/49/72/95/478497295.db2.gz VJTOHLYQBSXNHJ-QGZVFWFLSA-N -1 0 348.362 2.857 20 30 EFEDRM C=CCCSCCNC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000594691593 478497715 /nfs/dbraw/zinc/49/77/15/478497715.db2.gz WNARSCOXIAYYRD-HNNXBMFYSA-N -1 0 336.457 2.633 20 30 EFEDRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000594691610 478497746 /nfs/dbraw/zinc/49/77/46/478497746.db2.gz WVDFPMMOUMLLPC-SFHVURJKSA-N -1 0 329.400 2.530 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000491285848 478498947 /nfs/dbraw/zinc/49/89/47/478498947.db2.gz FUQWNXZDYFFOMU-LBPRGKRZSA-N -1 0 328.441 2.771 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000491320445 478510229 /nfs/dbraw/zinc/51/02/29/478510229.db2.gz QGXPYOXRABQXRF-UHFFFAOYSA-N -1 0 335.408 2.726 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000594719045 478510743 /nfs/dbraw/zinc/51/07/43/478510743.db2.gz HLZXIIPJGTZKNY-UHFFFAOYSA-N -1 0 349.861 2.626 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1cn(C)c2cc(F)ccc12)C(=O)[O-] ZINC000582106643 478511421 /nfs/dbraw/zinc/51/14/21/478511421.db2.gz AEJSFUUFHWXYOI-HNNXBMFYSA-N -1 0 347.390 2.579 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccc(C#N)n2)c1 ZINC000594723708 478513897 /nfs/dbraw/zinc/51/38/97/478513897.db2.gz IAXVHCRBKLYYPH-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM N#CC1(c2ccc(CN=c3[n-]c(Cc4ccncc4)no3)cc2)CC1 ZINC000594742586 478524668 /nfs/dbraw/zinc/52/46/68/478524668.db2.gz LIXMNCBEMFYYPN-UHFFFAOYSA-N -1 0 331.379 2.645 20 30 EFEDRM C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C(=O)[O-] ZINC000600801438 478526997 /nfs/dbraw/zinc/52/69/97/478526997.db2.gz QDJHLGYFZCHZDO-MFKMUULPSA-N -1 0 340.339 2.562 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CC[C@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000600800494 478527030 /nfs/dbraw/zinc/52/70/30/478527030.db2.gz MFLOBAVXTRKBAS-FZMZJTMJSA-N -1 0 325.368 2.662 20 30 EFEDRM C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@H]1C(=O)[O-] ZINC000600802852 478527256 /nfs/dbraw/zinc/52/72/56/478527256.db2.gz VBKAJPRYMMRFFV-JOYOIKCWSA-N -1 0 331.322 2.932 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000591339015 478527790 /nfs/dbraw/zinc/52/77/90/478527790.db2.gz UQTOQLKMNFFTHY-CQSZACIVSA-N -1 0 331.397 2.704 20 30 EFEDRM CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000591338179 478527823 /nfs/dbraw/zinc/52/78/23/478527823.db2.gz SLEVVTVOIJPDLA-IAGOWNOFSA-N -1 0 337.427 2.904 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)[n-]1 ZINC000591338104 478528289 /nfs/dbraw/zinc/52/82/89/478528289.db2.gz GBFORBCPZOIOQV-SWLSCSKDSA-N -1 0 343.818 2.825 20 30 EFEDRM C=CCCS(=O)(=O)N[C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000541000481 478528570 /nfs/dbraw/zinc/52/85/70/478528570.db2.gz GUZLOKRNGIFMJM-QGZVFWFLSA-N -1 0 337.441 2.533 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000571164446 478535756 /nfs/dbraw/zinc/53/57/56/478535756.db2.gz YLVLLDGFOQWDAT-PMPSAXMXSA-N -1 0 338.448 2.690 20 30 EFEDRM C=C(C)Cn1c([C@@]2(C)CCCO2)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000563416361 478553628 /nfs/dbraw/zinc/55/36/28/478553628.db2.gz IMUHNTAMODYQTP-QGZVFWFLSA-N -1 0 330.436 2.823 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OCc1ccccc1 ZINC000496133861 478559964 /nfs/dbraw/zinc/55/99/64/478559964.db2.gz PAYYDVNSIHUQPV-OAHLLOKOSA-N -1 0 347.415 2.822 20 30 EFEDRM C=C(C)CS(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@]1(C)C(=O)[O-] ZINC000571288976 478563251 /nfs/dbraw/zinc/56/32/51/478563251.db2.gz LLSZXHQPDKESJL-NVXWUHKLSA-N -1 0 337.441 2.534 20 30 EFEDRM C=CCC[C@@H](NC(=O)C(C)(C)Oc1ccc(OCC)cc1)C(=O)[O-] ZINC000571373476 478579051 /nfs/dbraw/zinc/57/90/51/478579051.db2.gz ARROPJBQDBLHQW-OAHLLOKOSA-N -1 0 335.400 2.778 20 30 EFEDRM C#C[C@H](NC(=O)N=c1[n-]nc(SCC)s1)c1ccc(F)cc1 ZINC000491556603 478587058 /nfs/dbraw/zinc/58/70/58/478587058.db2.gz YKECIUNXBVXPLT-NSHDSACASA-N -1 0 336.417 2.707 20 30 EFEDRM C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)COC ZINC000597955161 478594895 /nfs/dbraw/zinc/59/48/95/478594895.db2.gz SPKWTERFYXECSJ-VIFPVBQESA-N -1 0 328.752 2.617 20 30 EFEDRM C=CCCSCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000597970630 478600850 /nfs/dbraw/zinc/60/08/50/478600850.db2.gz UQCYHAHJXHMQHO-UHFFFAOYSA-N -1 0 335.404 2.756 20 30 EFEDRM N#Cc1nc(N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)ccc1C(F)(F)F ZINC000571461376 478601866 /nfs/dbraw/zinc/60/18/66/478601866.db2.gz JAVGKUUPLBNPHL-SNVBAGLBSA-N -1 0 338.293 2.527 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000491634879 478608353 /nfs/dbraw/zinc/60/83/53/478608353.db2.gz RDLZLZMYQUUVBK-OCCSQVGLSA-N -1 0 328.441 2.987 20 30 EFEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=NN=c1ccc(Cl)n[n-]1 ZINC000496215267 478616020 /nfs/dbraw/zinc/61/60/20/478616020.db2.gz WTGOKMXOPXAJER-JTQLQIEISA-N -1 0 339.827 2.597 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(F)cc1 ZINC000491663423 478621726 /nfs/dbraw/zinc/62/17/26/478621726.db2.gz MUFOVNYJYJFZNI-SECBINFHSA-N -1 0 326.303 2.533 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1Cl ZINC000582549958 478628449 /nfs/dbraw/zinc/62/84/49/478628449.db2.gz LKHAEHFFOSRFAN-UHFFFAOYSA-N -1 0 345.848 2.913 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](CN=Nc1ccc(C(=O)[O-])cn1)CC1CC1 ZINC000496290960 478644893 /nfs/dbraw/zinc/64/48/93/478644893.db2.gz HSTARIRCBMIFOF-ZDUSSCGKSA-N -1 0 348.403 2.871 20 30 EFEDRM O=C(N=c1[n-]ncn1C1CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000582742014 478673305 /nfs/dbraw/zinc/67/33/05/478673305.db2.gz NUVOBVQNPVJKLL-UHFFFAOYSA-N -1 0 328.375 2.687 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@H](C)C#N)C2CC2)n1 ZINC000598132532 478673345 /nfs/dbraw/zinc/67/33/45/478673345.db2.gz TZQUQTZYHSTWFM-LLVKDONJSA-N -1 0 328.347 2.542 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000582769813 478677338 /nfs/dbraw/zinc/67/73/38/478677338.db2.gz LKGKHDZTXQHSLS-QOKNQOGYSA-N -1 0 346.427 2.657 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n(CCC#N)n1 ZINC000564053118 478685632 /nfs/dbraw/zinc/68/56/32/478685632.db2.gz NVPNOMGZEDKPRG-UHFFFAOYSA-N -1 0 340.355 2.844 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000496716972 478686631 /nfs/dbraw/zinc/68/66/31/478686631.db2.gz OFSQDWWOEPDSKR-NSHDSACASA-N -1 0 335.408 2.583 20 30 EFEDRM Cc1cn2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)sc2n1 ZINC000542806311 478691745 /nfs/dbraw/zinc/69/17/45/478691745.db2.gz XLCJGRNRXQBUND-LLVKDONJSA-N -1 0 340.412 2.512 20 30 EFEDRM CC#CC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000542857699 478702138 /nfs/dbraw/zinc/70/21/38/478702138.db2.gz DELNQLIWXLLZLN-KRWDZBQOSA-N -1 0 349.452 2.879 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000595262539 478705684 /nfs/dbraw/zinc/70/56/84/478705684.db2.gz JYPSXFIOPHYHMT-RWMBFGLXSA-N -1 0 328.478 2.730 20 30 EFEDRM C[C@](CNC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000595263541 478707858 /nfs/dbraw/zinc/70/78/58/478707858.db2.gz RPAHQNMMLPDJPW-GOSISDBHSA-N -1 0 343.427 2.802 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000571962160 478714746 /nfs/dbraw/zinc/71/47/46/478714746.db2.gz IYSIHIKQDVLBRM-GOEBONIOSA-N -1 0 348.399 2.737 20 30 EFEDRM N#CCC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000583011864 478741754 /nfs/dbraw/zinc/74/17/54/478741754.db2.gz RXUWVUJJPINSDN-ZBFHGGJFSA-N -1 0 329.400 2.928 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000497282123 478746985 /nfs/dbraw/zinc/74/69/85/478746985.db2.gz AGBQOOUVUDXXCY-LLVKDONJSA-N -1 0 335.408 2.726 20 30 EFEDRM CC#CCCNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000497658028 478752838 /nfs/dbraw/zinc/75/28/38/478752838.db2.gz UZQBMQSKEZVZQO-UHFFFAOYSA-N -1 0 328.441 2.821 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000583127912 478769024 /nfs/dbraw/zinc/76/90/24/478769024.db2.gz BBZUELLNCDTVFL-OAHLLOKOSA-N -1 0 329.400 2.737 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000583261609 478806382 /nfs/dbraw/zinc/80/63/82/478806382.db2.gz WVIRCACGTXAFFP-HIFRSBDPSA-N -1 0 332.400 2.504 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccnn2C(C)(C)C)cc1C#N ZINC000598466512 478837313 /nfs/dbraw/zinc/83/73/13/478837313.db2.gz WPIQOILYDMLLFR-UHFFFAOYSA-N -1 0 331.401 2.585 20 30 EFEDRM COC(=O)Nc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F ZINC000492139792 478843652 /nfs/dbraw/zinc/84/36/52/478843652.db2.gz ZLTBYMDYRJLUTQ-UHFFFAOYSA-N -1 0 329.287 2.834 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)cc1OC ZINC000492141162 478843871 /nfs/dbraw/zinc/84/38/71/478843871.db2.gz UNQSLRMALOOZLL-VQHVLOKHSA-N -1 0 345.395 2.787 20 30 EFEDRM C=CCN=c1[n-]nc(SCCC(=O)c2ccc(OC)cc2)s1 ZINC000505443149 478868985 /nfs/dbraw/zinc/86/89/85/478868985.db2.gz DAGVAPCLTVAZOI-UHFFFAOYSA-N -1 0 335.454 2.932 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000544928895 478874455 /nfs/dbraw/zinc/87/44/55/478874455.db2.gz FIIHLRGMLNLMKQ-UHFFFAOYSA-N -1 0 345.420 2.804 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000592401427 478885268 /nfs/dbraw/zinc/88/52/68/478885268.db2.gz GTNKZGUIVBWTFU-LLVKDONJSA-N -1 0 327.365 2.692 20 30 EFEDRM N#Cc1cccnc1OC1CCC(Nc2ncccc2C(=O)[O-])CC1 ZINC000592421686 478890149 /nfs/dbraw/zinc/89/01/49/478890149.db2.gz ULRXTTCOOPBCIL-UHFFFAOYSA-N -1 0 338.367 2.849 20 30 EFEDRM C=CCN(c1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21)C1CC1 ZINC000565034961 478891186 /nfs/dbraw/zinc/89/11/86/478891186.db2.gz JKCKPOXTUSFKOM-UHFFFAOYSA-N -1 0 346.456 2.914 20 30 EFEDRM Cc1nc(=NC(=O)C=Cc2cn(CCC#N)c3ccccc23)s[n-]1 ZINC000492268679 478901470 /nfs/dbraw/zinc/90/14/70/478901470.db2.gz FNQKNMVSPRMKDE-FPLPWBNLSA-N -1 0 337.408 2.789 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592465332 478904631 /nfs/dbraw/zinc/90/46/31/478904631.db2.gz QTYBTTJTQBIRGH-UHFFFAOYSA-N -1 0 331.372 2.676 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000601636153 478920175 /nfs/dbraw/zinc/92/01/75/478920175.db2.gz GUEWTTDJQUKMTD-UHFFFAOYSA-N -1 0 334.351 2.736 20 30 EFEDRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1[nH][n-]cc1C#N ZINC000601639733 478922010 /nfs/dbraw/zinc/92/20/10/478922010.db2.gz RWJDWFPMXAIRKY-LLVKDONJSA-N -1 0 336.317 2.929 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000583733533 478926292 /nfs/dbraw/zinc/92/62/92/478926292.db2.gz RKEICRXUTYWWGU-NEPJUHHUSA-N -1 0 335.816 2.810 20 30 EFEDRM COC(=O)N1CCC([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000492328669 478933892 /nfs/dbraw/zinc/93/38/92/478933892.db2.gz MWYJHINNVIIVJQ-VBYYMIJXSA-N -1 0 335.360 2.586 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C)CCC(=O)[O-])cc1OC ZINC000492350212 478946119 /nfs/dbraw/zinc/94/61/19/478946119.db2.gz PTQDMPDEVXASOY-JWJUJFCLSA-N -1 0 333.384 2.643 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1C#N ZINC000601680638 478948568 /nfs/dbraw/zinc/94/85/68/478948568.db2.gz UWJQHNJDDJZUGB-UHFFFAOYSA-N -1 0 330.338 2.740 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cccc(CSCC)c1)C(=O)[O-] ZINC000584031578 478997912 /nfs/dbraw/zinc/99/79/12/478997912.db2.gz YKZUYFSRXOATGL-CQSZACIVSA-N -1 0 338.429 2.717 20 30 EFEDRM Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000492557173 479006823 /nfs/dbraw/zinc/00/68/23/479006823.db2.gz BPJVNSLPTVUUPL-BQYQJAHWSA-N -1 0 336.413 2.521 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000528978762 479007586 /nfs/dbraw/zinc/00/75/86/479007586.db2.gz PXBJSZQBRUOUGZ-UHFFFAOYSA-N -1 0 328.821 2.783 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)[C@@H](C#N)CCc2ccccc2)s[n-]1 ZINC000601797107 479008980 /nfs/dbraw/zinc/00/89/80/479008980.db2.gz RWGQEKFKTXXFJO-CYBMUJFWSA-N -1 0 344.440 2.553 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s[n-]1 ZINC000601798354 479009223 /nfs/dbraw/zinc/00/92/23/479009223.db2.gz XLZDLPBOIHLBRP-UHFFFAOYSA-N -1 0 344.440 2.895 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)CCCCC1 ZINC000492604285 479010385 /nfs/dbraw/zinc/01/03/85/479010385.db2.gz OUUDLLKJBUFTAN-KTKRTIGZSA-N -1 0 332.425 2.620 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cnn(C2CC2)c1 ZINC000528994622 479013048 /nfs/dbraw/zinc/01/30/48/479013048.db2.gz GRCSZJVTWOKIMW-OAHLLOKOSA-N -1 0 342.786 2.510 20 30 EFEDRM N#CCCn1cc(/C=C\C(=O)NOC2CCOCC2)c2ccccc21 ZINC000492702011 479014449 /nfs/dbraw/zinc/01/44/49/479014449.db2.gz FIOCSHSHJCVCQK-SREVYHEPSA-N -1 0 339.395 2.795 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc3ccccc3c2)CC1 ZINC000492912248 479025035 /nfs/dbraw/zinc/02/50/35/479025035.db2.gz NUNCDTXVADDCJW-VURMDHGXSA-N -1 0 340.404 2.603 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000492950318 479027059 /nfs/dbraw/zinc/02/70/59/479027059.db2.gz KOQSVPSKDDNENR-BQYQJAHWSA-N -1 0 325.817 2.908 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000493003113 479030023 /nfs/dbraw/zinc/03/00/23/479030023.db2.gz GSKVOPKXQUFXIF-YVMONPNESA-N -1 0 325.817 2.908 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NCCC(C)(C)C(=O)[O-])cc1OC ZINC000493174337 479038552 /nfs/dbraw/zinc/03/85/52/479038552.db2.gz XJFKEJHKMLIWHG-CLFYSBASSA-N -1 0 347.411 2.890 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000493241315 479041190 /nfs/dbraw/zinc/04/11/90/479041190.db2.gz QZWJZLZXXLZNCX-RLKNZVFVSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cc(C)ccc2OC)CC1 ZINC000493232106 479041275 /nfs/dbraw/zinc/04/12/75/479041275.db2.gz WRIHKEFTSABASJ-VURMDHGXSA-N -1 0 335.425 2.572 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000493468613 479051354 /nfs/dbraw/zinc/05/13/54/479051354.db2.gz VLVWQEFFFBTMTC-YHYXMXQVSA-N -1 0 336.347 2.617 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000514716231 479053684 /nfs/dbraw/zinc/05/36/84/479053684.db2.gz IVUSVOMLKSFSSO-XIRDDKMYSA-N -1 0 346.427 2.710 20 30 EFEDRM N#Cc1c(N2CCC(CCC(=O)[O-])CC2)nc2cc(Cl)ccn21 ZINC000595968488 479085170 /nfs/dbraw/zinc/08/51/70/479085170.db2.gz RUKBGCVWRYQTKG-UHFFFAOYSA-N -1 0 332.791 2.941 20 30 EFEDRM N#Cc1c(N2CCC[C@@H](CCC(=O)[O-])C2)nc2cc(Cl)ccn21 ZINC000595973958 479085922 /nfs/dbraw/zinc/08/59/22/479085922.db2.gz JZBFYRFTZUSTLG-NSHDSACASA-N -1 0 332.791 2.941 20 30 EFEDRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601947227 479087307 /nfs/dbraw/zinc/08/73/07/479087307.db2.gz GETHIOLACBJZDP-ZDUSSCGKSA-N -1 0 333.775 2.894 20 30 EFEDRM C=CCCCS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccsc1 ZINC000584327627 479092749 /nfs/dbraw/zinc/09/27/49/479092749.db2.gz BDWVOVXQNATRMQ-NWDGAFQWSA-N -1 0 347.483 2.545 20 30 EFEDRM O=C([O-])C1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000573568690 479095713 /nfs/dbraw/zinc/09/57/13/479095713.db2.gz UYGFBMLIIZEREH-UHFFFAOYSA-N -1 0 339.313 2.818 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)OC3(CCCC3)C2)cc1C#N ZINC000592904535 479098275 /nfs/dbraw/zinc/09/82/75/479098275.db2.gz RXTCRLJMHTXBGC-LLVKDONJSA-N -1 0 347.440 2.554 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cn1CC1CC1 ZINC000596025209 479099285 /nfs/dbraw/zinc/09/92/85/479099285.db2.gz ZXDXIOINIBKJSZ-UHFFFAOYSA-N -1 0 344.440 2.722 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cn1CC1CC1 ZINC000596042518 479104110 /nfs/dbraw/zinc/10/41/10/479104110.db2.gz WXFUUBYZAVEOMZ-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1ncccc1C(=O)OC(C)(C)C ZINC000596042252 479104621 /nfs/dbraw/zinc/10/46/21/479104621.db2.gz RVHHENBZIGTUMP-UHFFFAOYSA-N -1 0 326.418 2.745 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601976545 479104839 /nfs/dbraw/zinc/10/48/39/479104839.db2.gz FKTKSNBHQSTMFS-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC000601979398 479107477 /nfs/dbraw/zinc/10/74/77/479107477.db2.gz NCJAZBFEXOCRJU-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)cn1CC1CC1 ZINC000601979556 479107827 /nfs/dbraw/zinc/10/78/27/479107827.db2.gz PERSPMYNITWEKB-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM N#CCc1cccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000592953312 479107792 /nfs/dbraw/zinc/10/77/92/479107792.db2.gz XZISJZLUQMJVLI-UHFFFAOYSA-N -1 0 335.363 2.653 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000601985502 479111690 /nfs/dbraw/zinc/11/16/90/479111690.db2.gz ZNMOEIATTNJDCR-QWRGUYRKSA-N -1 0 342.273 2.896 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc2cc(F)ccc2s1 ZINC000592973548 479112080 /nfs/dbraw/zinc/11/20/80/479112080.db2.gz AONAHXCZLDGWTM-JTQLQIEISA-N -1 0 337.339 2.968 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCCC[C@@H]2CCC(=O)[O-])CCCCC1 ZINC000547913982 479121040 /nfs/dbraw/zinc/12/10/40/479121040.db2.gz WCEHHGNFSYTXQM-CQSZACIVSA-N -1 0 342.461 2.510 20 30 EFEDRM CC(C)(CCNS(=O)(=O)CC1(C#N)CCCCC1)CCC(=O)[O-] ZINC000548260691 479124426 /nfs/dbraw/zinc/12/44/26/479124426.db2.gz ODQNIQXFPFCXOC-UHFFFAOYSA-N -1 0 344.477 2.661 20 30 EFEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000548303293 479125386 /nfs/dbraw/zinc/12/53/86/479125386.db2.gz KKHJOZYFRXTKRG-LBPRGKRZSA-N -1 0 340.412 2.559 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000602002265 479128416 /nfs/dbraw/zinc/12/84/16/479128416.db2.gz PRDJDLGMIYWKKF-OLZOCXBDSA-N -1 0 337.441 2.805 20 30 EFEDRM CC(C)(CC#N)CNC(=O)C[C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000602001929 479129264 /nfs/dbraw/zinc/12/92/64/479129264.db2.gz SOMZINXRAZDEEP-IBGZPJMESA-N -1 0 328.412 2.791 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(CC)c(CC)c1)C(=O)[O-] ZINC000569183051 479137014 /nfs/dbraw/zinc/13/70/14/479137014.db2.gz WMFWRRWWNFPUIR-OAHLLOKOSA-N -1 0 325.430 2.509 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000569654227 479146895 /nfs/dbraw/zinc/14/68/95/479146895.db2.gz RKLROIKGCIHNME-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CCCC1 ZINC000573801759 479147467 /nfs/dbraw/zinc/14/74/67/479147467.db2.gz MDDHBUCVRQSBCU-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000569683854 479155683 /nfs/dbraw/zinc/15/56/83/479155683.db2.gz OLNJJWFVNIARAZ-DGCLKSJQSA-N -1 0 344.371 2.516 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584514150 479160240 /nfs/dbraw/zinc/16/02/40/479160240.db2.gz KPVBAOBOZIYKEG-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000573897401 479167473 /nfs/dbraw/zinc/16/74/73/479167473.db2.gz HYQCOOMUDXHYCV-WCQYABFASA-N -1 0 340.807 2.826 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000569787922 479174936 /nfs/dbraw/zinc/17/49/36/479174936.db2.gz UFZAQVHYPHMABT-LBPRGKRZSA-N -1 0 346.305 2.569 20 30 EFEDRM C[C@@H](c1ccccc1)n1ccc([N-]c2nccc(C#N)c2[N+](=O)[O-])n1 ZINC000610755419 479177516 /nfs/dbraw/zinc/17/75/16/479177516.db2.gz AWWMADBKYJYABH-LBPRGKRZSA-N -1 0 334.339 2.833 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000610783285 479186914 /nfs/dbraw/zinc/18/69/14/479186914.db2.gz ONFCTZBUVNFVSG-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM N#Cc1csc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])c1 ZINC000610796100 479191368 /nfs/dbraw/zinc/19/13/68/479191368.db2.gz IXSHLXYLUWPCFW-AATRIKPKSA-N -1 0 337.360 2.585 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2N=c1ccc(OCC(F)(F)F)n[n-]1 ZINC000596216454 479205815 /nfs/dbraw/zinc/20/58/15/479205815.db2.gz ZTIBPEVVJVLRFU-CYBMUJFWSA-N -1 0 334.301 2.811 20 30 EFEDRM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593192160 479233799 /nfs/dbraw/zinc/23/37/99/479233799.db2.gz QGLRAONEJFPBKA-UHFFFAOYSA-N -1 0 337.445 2.508 20 30 EFEDRM N#CCCN1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000602204244 479237022 /nfs/dbraw/zinc/23/70/22/479237022.db2.gz ITCCTCHCFHXQMZ-UHFFFAOYSA-N -1 0 343.814 2.870 20 30 EFEDRM N#CC1(CNC(=O)N=c2[n-]nc(-c3c(F)cccc3F)s2)CCC1 ZINC000603081722 479237492 /nfs/dbraw/zinc/23/74/92/479237492.db2.gz PSRFPUVRCKGOBC-UHFFFAOYSA-N -1 0 349.366 2.721 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)o1 ZINC000599417899 479290272 /nfs/dbraw/zinc/29/02/72/479290272.db2.gz SAQRWROYHMGVCX-CYBMUJFWSA-N -1 0 340.351 2.696 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000574453318 479290343 /nfs/dbraw/zinc/29/03/43/479290343.db2.gz NOSRJZMPDAQFSP-SWLSCSKDSA-N -1 0 345.399 2.920 20 30 EFEDRM CCC(C)(C)c1n[n-]c(=NC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000603288419 479334886 /nfs/dbraw/zinc/33/48/86/479334886.db2.gz JPHSFPDXLHOMOX-UHFFFAOYSA-N -1 0 340.431 2.527 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000574747716 479340418 /nfs/dbraw/zinc/34/04/18/479340418.db2.gz RPSLPODKHIVQOA-KRWDZBQOSA-N -1 0 342.395 2.857 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000574775218 479347745 /nfs/dbraw/zinc/34/77/45/479347745.db2.gz ZZRKWECQQZSYNW-BBRMVZONSA-N -1 0 342.399 2.652 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)[n-]1 ZINC000611503789 479398408 /nfs/dbraw/zinc/39/84/08/479398408.db2.gz MGYNINGGICQBFP-INIZCTEOSA-N -1 0 339.374 2.610 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000588253458 479410038 /nfs/dbraw/zinc/41/00/38/479410038.db2.gz YCELZAGNNHZKPP-UHFFFAOYSA-N -1 0 347.422 2.968 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@](C)(c3ccccc3)CC2)[n-]1 ZINC000588259909 479410946 /nfs/dbraw/zinc/41/09/46/479410946.db2.gz RAZWCCKSKDGDQY-IBGZPJMESA-N -1 0 337.427 2.689 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)c1C#N ZINC000588714713 479433878 /nfs/dbraw/zinc/43/38/78/479433878.db2.gz SOSVCXKVLHFEHH-UHFFFAOYSA-N -1 0 330.216 2.561 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000611671638 479442057 /nfs/dbraw/zinc/44/20/57/479442057.db2.gz RCSNPMVXXHOXQB-ARJAWSKDSA-N -1 0 343.412 2.881 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000596824334 479442216 /nfs/dbraw/zinc/44/22/16/479442216.db2.gz VKZKIDFGKGJSPK-NSHDSACASA-N -1 0 332.791 2.853 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906298 479456002 /nfs/dbraw/zinc/45/60/02/479456002.db2.gz WWPAWHWWBYRSAZ-UHFFFAOYSA-N -1 0 332.347 2.695 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C(=O)[O-] ZINC000599860134 479457201 /nfs/dbraw/zinc/45/72/01/479457201.db2.gz CHPSCXOTBKDUAI-MRXNPFEDSA-N -1 0 343.427 2.567 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCC[C@H]2SC)cc1C#N ZINC000593782492 479458053 /nfs/dbraw/zinc/45/80/53/479458053.db2.gz PBXDGOCUQJJJIR-VXGBXAGGSA-N -1 0 337.470 2.785 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000593951447 479517626 /nfs/dbraw/zinc/51/76/26/479517626.db2.gz KMXKBFWMBGOEMA-CYBMUJFWSA-N -1 0 333.388 2.824 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)c1 ZINC000589586843 479541873 /nfs/dbraw/zinc/54/18/73/479541873.db2.gz HHHOLOVMNVBXQF-UHFFFAOYSA-N -1 0 345.428 2.600 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000594003166 479541848 /nfs/dbraw/zinc/54/18/48/479541848.db2.gz IHYXKDQDWXBEHC-JTQLQIEISA-N -1 0 334.301 2.606 20 30 EFEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)co1 ZINC000604571195 479545645 /nfs/dbraw/zinc/54/56/45/479545645.db2.gz OMQODHFMWYQTMQ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1nc(NC(=O)c2cc(C(F)F)[nH]n2)sc1SCC#N ZINC000602793286 479556458 /nfs/dbraw/zinc/55/64/58/479556458.db2.gz ORLMNJYKUQJGIP-UHFFFAOYSA-N -1 0 329.357 2.980 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000612036899 479556813 /nfs/dbraw/zinc/55/68/13/479556813.db2.gz XMCRMKXIDNNMIN-INIZCTEOSA-N -1 0 327.413 2.785 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1C#N ZINC000576230376 479570479 /nfs/dbraw/zinc/57/04/79/479570479.db2.gz GDYZIIOASQRWNG-FBEGKWATSA-N -1 0 341.436 2.665 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000576561686 479581012 /nfs/dbraw/zinc/58/10/12/479581012.db2.gz YVVDBBNIFDRZBR-LLVKDONJSA-N -1 0 339.461 2.702 20 30 EFEDRM CC[C@@H](c1n[n-]c(=NC(=O)NCC2(C#N)CC2)s1)c1ccccc1 ZINC000577697010 479594931 /nfs/dbraw/zinc/59/49/31/479594931.db2.gz QTCZQGQIYUGMCK-CYBMUJFWSA-N -1 0 341.440 2.927 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000577823034 479596761 /nfs/dbraw/zinc/59/67/61/479596761.db2.gz RSZDSEGQWYUILF-ZVZYQTTQSA-N -1 0 346.427 2.825 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(C(C)C)nc2C)n1 ZINC000578081011 479601602 /nfs/dbraw/zinc/60/16/02/479601602.db2.gz IWTNSTHUBXSCPT-NSHDSACASA-N -1 0 346.412 2.896 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000578129864 479602510 /nfs/dbraw/zinc/60/25/10/479602510.db2.gz GXGJJQRCKOUQNB-NSHDSACASA-N -1 0 338.212 2.615 20 30 EFEDRM Cc1ccc(-c2nnc(S(=O)(=O)CCCC(C)(C)C#N)[n-]2)cc1 ZINC000578290928 479604586 /nfs/dbraw/zinc/60/45/86/479604586.db2.gz NYNSMFGKEMGDOH-UHFFFAOYSA-N -1 0 332.429 2.884 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@H](c2ccc(C)cc2)[C@H]1C(=O)[O-] ZINC000578731378 479610140 /nfs/dbraw/zinc/61/01/40/479610140.db2.gz RBZGFNPCEXMMKR-CVEARBPZSA-N -1 0 337.441 2.534 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000612292327 479633944 /nfs/dbraw/zinc/63/39/44/479633944.db2.gz NEYYAWKDMNKCHP-QGZVFWFLSA-N -1 0 341.440 2.708 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000612302698 479637011 /nfs/dbraw/zinc/63/70/11/479637011.db2.gz ROOONZCNZIXIAE-AWEZNQCLSA-N -1 0 333.442 2.846 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)c1 ZINC000590592714 479665123 /nfs/dbraw/zinc/66/51/23/479665123.db2.gz XSNBFXFHBOMQGR-UHFFFAOYSA-N -1 0 342.424 2.549 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000621566590 479700622 /nfs/dbraw/zinc/70/06/22/479700622.db2.gz VCOBTXMRIBKYTN-HNNXBMFYSA-N -1 0 347.411 2.902 20 30 EFEDRM O=C([O-])CSCC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000612593601 479702682 /nfs/dbraw/zinc/70/26/82/479702682.db2.gz QHGUWGCQFBRKKA-UHFFFAOYSA-N -1 0 331.418 2.904 20 30 EFEDRM O=C([O-])CSCC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000612593597 479703135 /nfs/dbraw/zinc/70/31/35/479703135.db2.gz MMYAZPNRHQXELZ-UHFFFAOYSA-N -1 0 325.389 2.843 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1 ZINC000625072147 479759699 /nfs/dbraw/zinc/75/96/99/479759699.db2.gz HTUXONYLIVUQCW-UHFFFAOYSA-N -1 0 343.433 2.682 20 30 EFEDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000619467880 479802051 /nfs/dbraw/zinc/80/20/51/479802051.db2.gz KKKBQQQDCUQSMC-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=C[C@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)C(=O)OC ZINC000619688574 479856677 /nfs/dbraw/zinc/85/66/77/479856677.db2.gz WFXVNQRZCBTKIJ-NSHDSACASA-N -1 0 339.417 2.531 20 30 EFEDRM CC[C@H](CN(CC)C(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1 ZINC000614182146 480218355 /nfs/dbraw/zinc/21/83/55/480218355.db2.gz HJSDDLMBJBPGNO-CQSZACIVSA-N -1 0 325.416 2.761 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(F)c1 ZINC000610057004 480232949 /nfs/dbraw/zinc/23/29/49/480232949.db2.gz XQRLUTFICMOQFG-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)c1cccc(C#N)c1 ZINC000610318484 480279765 /nfs/dbraw/zinc/27/97/65/480279765.db2.gz XROOPDRLWCQHGJ-SSDOTTSWSA-N -1 0 341.318 2.733 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@@H](C)COC ZINC000617580069 480286969 /nfs/dbraw/zinc/28/69/69/480286969.db2.gz PZKGUOHDSDZVCN-LBPRGKRZSA-N -1 0 349.818 2.894 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)[n-]c1C#N ZINC000617658740 480314880 /nfs/dbraw/zinc/31/48/80/480314880.db2.gz AUBPSAJVSGMKON-UHFFFAOYSA-N -1 0 341.199 2.702 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)[n-]1 ZINC000610561565 480337154 /nfs/dbraw/zinc/33/71/54/480337154.db2.gz NFKBPCINYOMGOO-LBPRGKRZSA-N -1 0 347.831 2.726 20 30 EFEDRM C[C@@H]1C[C@H]1[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610562134 480337385 /nfs/dbraw/zinc/33/73/85/480337385.db2.gz XRTMNHXHSFFJLG-VCTAVGKDSA-N -1 0 343.818 2.886 20 30 EFEDRM CCSc1ccc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610561041 480337551 /nfs/dbraw/zinc/33/75/51/480337551.db2.gz OHJRTFZMRKTHKE-LLVKDONJSA-N -1 0 329.429 2.708 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)[n-]1 ZINC000610561726 480337571 /nfs/dbraw/zinc/33/75/71/480337571.db2.gz BYWRHWPVWLDFBF-NVXWUHKLSA-N -1 0 337.427 2.637 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)[n-]1 ZINC000610564783 480338126 /nfs/dbraw/zinc/33/81/26/480338126.db2.gz VYXJDPKSNLRPLL-AWEZNQCLSA-N -1 0 348.410 2.606 20 30 EFEDRM CC(C)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1Cl ZINC000610562597 480338524 /nfs/dbraw/zinc/33/85/24/480338524.db2.gz YPHOKQBFVODOGD-AWEZNQCLSA-N -1 0 331.807 2.886 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(Cl)c1Cl ZINC000610562850 480338605 /nfs/dbraw/zinc/33/86/05/480338605.db2.gz IUPNOXAMIKZCBU-QMMMGPOBSA-N -1 0 338.198 2.903 20 30 EFEDRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610562227 480338691 /nfs/dbraw/zinc/33/86/91/480338691.db2.gz ZWAYNZUROBRFST-ZDUSSCGKSA-N -1 0 325.416 2.592 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC2(c3ccc(Cl)cc3)CCC2)[n-]1 ZINC000610564736 480338717 /nfs/dbraw/zinc/33/87/17/480338717.db2.gz VDQDOXFNSOTEKF-UHFFFAOYSA-N -1 0 329.791 2.568 20 30 EFEDRM CCc1ccc([C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)C)cc1 ZINC000610564844 480338737 /nfs/dbraw/zinc/33/87/37/480338737.db2.gz MBSSQQWOTCQMLQ-INIZCTEOSA-N -1 0 325.416 2.795 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC(C)(C)Cc2cccc(Cl)c2)[n-]1 ZINC000610698441 480369105 /nfs/dbraw/zinc/36/91/05/480369105.db2.gz DAKMJJSNIWOPNF-UHFFFAOYSA-N -1 0 345.834 2.757 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000634654850 480402724 /nfs/dbraw/zinc/40/27/24/480402724.db2.gz WETUPWWWFQYCEF-UHFFFAOYSA-N -1 0 347.458 2.726 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000635515439 480435838 /nfs/dbraw/zinc/43/58/38/480435838.db2.gz RVPRNAAJSBNKKV-VQIMIIECSA-N -1 0 346.427 2.827 20 30 EFEDRM C=CCCOCC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000644632339 480485804 /nfs/dbraw/zinc/48/58/04/480485804.db2.gz JURMXCCNJJVCKQ-LSDHHAIUSA-N -1 0 337.803 2.559 20 30 EFEDRM C=CCOCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000634846365 480577515 /nfs/dbraw/zinc/57/75/15/480577515.db2.gz GXBAERVVVVFECR-IBGZPJMESA-N -1 0 333.428 2.861 20 30 EFEDRM O=C([O-])[C@@]1(CC(=O)NCC#Cc2ccccc2)CCCc2ccccc21 ZINC000634856585 480585187 /nfs/dbraw/zinc/58/51/87/480585187.db2.gz VJADGRPEURNLNF-JOCHJYFZSA-N -1 0 347.414 2.903 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000634876295 480599524 /nfs/dbraw/zinc/59/95/24/480599524.db2.gz LLNUCHSRXGPCOX-LSDHHAIUSA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCOc1ccc(CC(=O)N=c2nc(CC(C)C)[n-]s2)cc1 ZINC000618350096 480631583 /nfs/dbraw/zinc/63/15/83/480631583.db2.gz PVGZAFDLLFKKBA-UHFFFAOYSA-N -1 0 331.441 2.905 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630258144 480636423 /nfs/dbraw/zinc/63/64/23/480636423.db2.gz KGQFFSLYVZNHEK-GHMZBOCLSA-N -1 0 325.336 2.597 20 30 EFEDRM C=CCN(C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)[C@@H](C)COC ZINC000634929879 480642339 /nfs/dbraw/zinc/64/23/39/480642339.db2.gz UHMUAKVVSYECIC-LRDDRELGSA-N -1 0 325.430 2.530 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000630317783 480668000 /nfs/dbraw/zinc/66/80/00/480668000.db2.gz AEZCCSAMHLQEGZ-AAEUAGOBSA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC000630319371 480668893 /nfs/dbraw/zinc/66/88/93/480668893.db2.gz ZDIJWEVWCYEXIS-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000630319615 480669041 /nfs/dbraw/zinc/66/90/41/480669041.db2.gz DHDDANVPCDSFAT-MRXNPFEDSA-N -1 0 329.396 2.674 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C)C(=O)[O-] ZINC000630320727 480669566 /nfs/dbraw/zinc/66/95/66/480669566.db2.gz AQRWQRPNTXFQHO-NHYWBVRUSA-N -1 0 333.432 2.685 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000630320344 480669782 /nfs/dbraw/zinc/66/97/82/480669782.db2.gz UCIVFFBLZPBSES-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000630320182 480669878 /nfs/dbraw/zinc/66/98/78/480669878.db2.gz QIITUZSREPKADT-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000630324663 480671508 /nfs/dbraw/zinc/67/15/08/480671508.db2.gz GFPPJOBIMQJJQN-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)C(=O)[O-] ZINC000630323869 480671515 /nfs/dbraw/zinc/67/15/15/480671515.db2.gz ATIXAUFWFGPEKY-QGZVFWFLSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000630324660 480671532 /nfs/dbraw/zinc/67/15/32/480671532.db2.gz GFPPJOBIMQJJQN-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC000630567424 480783964 /nfs/dbraw/zinc/78/39/64/480783964.db2.gz HNPZHTZHALLYKX-SFHVURJKSA-N -1 0 332.400 2.760 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132462 480816372 /nfs/dbraw/zinc/81/63/72/480816372.db2.gz TXRLNRBFFDEZNJ-CYBMUJFWSA-N -1 0 326.400 2.548 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132612 480816730 /nfs/dbraw/zinc/81/67/30/480816730.db2.gz WSRSLVMTNRTIHL-HNNXBMFYSA-N -1 0 326.400 2.548 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000659108317 481205414 /nfs/dbraw/zinc/20/54/14/481205414.db2.gz KDUKZPBRDZADHD-NSHDSACASA-N -1 0 326.381 2.964 20 30 EFEDRM C=CCC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC000653327273 481229184 /nfs/dbraw/zinc/22/91/84/481229184.db2.gz URZOXJBZQPNOSI-CVEARBPZSA-N -1 0 329.396 2.789 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](CCC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659155911 481238362 /nfs/dbraw/zinc/23/83/62/481238362.db2.gz GRBJZXVFTHKGJO-HUUCEWRRSA-N -1 0 339.819 2.996 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](CCC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659155909 481238895 /nfs/dbraw/zinc/23/88/95/481238895.db2.gz GRBJZXVFTHKGJO-GJZGRUSLSA-N -1 0 339.819 2.996 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000653667459 481398201 /nfs/dbraw/zinc/39/82/01/481398201.db2.gz CTIHASYZSHWGSV-ZDUSSCGKSA-N -1 0 331.290 2.697 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000659796000 481556177 /nfs/dbraw/zinc/55/61/77/481556177.db2.gz VSRMLTDFVFNHOD-STQMWFEESA-N -1 0 331.290 2.598 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000663065540 482053790 /nfs/dbraw/zinc/05/37/90/482053790.db2.gz BPXKNJKIEJRZNP-OAHLLOKOSA-N -1 0 349.427 2.795 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000663077982 482059753 /nfs/dbraw/zinc/05/97/53/482059753.db2.gz FVMKIQLVOWWXLO-CYBMUJFWSA-N -1 0 333.388 2.680 20 30 EFEDRM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282952 534114633 /nfs/dbraw/zinc/11/46/33/534114633.db2.gz CPUWALFULUAOEE-JQWIXIFHSA-N -1 0 347.820 2.569 20 30 EFEDRM C=CCn1c(C)cc(C([O-])=CS(=O)(=O)c2ccc(OC)cc2)c1C ZINC000298561417 534433388 /nfs/dbraw/zinc/43/33/88/534433388.db2.gz MLIVAZIVMBHUKM-UHFFFAOYSA-N -1 0 347.436 2.956 20 30 EFEDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)ccc1C ZINC000183395897 519707944 /nfs/dbraw/zinc/70/79/44/519707944.db2.gz RNNZLUWYOVDIHU-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C#N ZINC000263134201 519780669 /nfs/dbraw/zinc/78/06/69/519780669.db2.gz YTNYZWBAUQYHJH-KRWDZBQOSA-N -1 0 331.372 2.674 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000057125724 520869589 /nfs/dbraw/zinc/86/95/89/520869589.db2.gz XZZVQWXTJOMACA-UHFFFAOYSA-N -1 0 327.365 2.629 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000057125712 520869669 /nfs/dbraw/zinc/86/96/69/520869669.db2.gz CYEXDHREMBPTQL-UHFFFAOYSA-N -1 0 344.392 2.960 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)O1 ZINC000188975251 534523460 /nfs/dbraw/zinc/52/34/60/534523460.db2.gz FYBNIEWAUYWBNO-ROUUACIJSA-N -1 0 335.359 2.657 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)OCCO2 ZINC000042344584 520922106 /nfs/dbraw/zinc/92/21/06/520922106.db2.gz ACXPOLBUCPUIFF-ALCCZGGFSA-N -1 0 325.386 2.557 20 30 EFEDRM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000183396449 521218003 /nfs/dbraw/zinc/21/80/03/521218003.db2.gz GZCBQZKFYCVUBN-UHFFFAOYSA-N -1 0 347.371 2.847 20 30 EFEDRM CCOc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042321484 521448131 /nfs/dbraw/zinc/44/81/31/521448131.db2.gz ULWXQHIYRJFALT-MDZDMXLPSA-N -1 0 332.381 2.839 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262930725 534570143 /nfs/dbraw/zinc/57/01/43/534570143.db2.gz LGVWYIYDVSECGU-GFCCVEGCSA-N -1 0 330.384 2.596 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000262930726 534570190 /nfs/dbraw/zinc/57/01/90/534570190.db2.gz LGVWYIYDVSECGU-LBPRGKRZSA-N -1 0 330.384 2.596 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2)CCC1 ZINC000263085008 534594523 /nfs/dbraw/zinc/59/45/23/534594523.db2.gz ZNXZZZIFJSVNDD-GFCCVEGCSA-N -1 0 330.384 2.574 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000185672000 522047346 /nfs/dbraw/zinc/04/73/46/522047346.db2.gz OMNZYSGFNDGBDC-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000314282008 534691913 /nfs/dbraw/zinc/69/19/13/534691913.db2.gz JVGKNYXULWPCGG-UHFFFAOYSA-N -1 0 331.821 2.981 20 30 EFEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000186432447 534740383 /nfs/dbraw/zinc/74/03/83/534740383.db2.gz WLGAWWYJVHULFL-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000152921906 524016689 /nfs/dbraw/zinc/01/66/89/524016689.db2.gz GGMLJOGXYSMFNX-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)CCCC2)c1 ZINC000071862763 524325206 /nfs/dbraw/zinc/32/52/06/524325206.db2.gz HBOOBLCYFVGQNC-UHFFFAOYSA-N -1 0 347.440 2.886 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262178521 534782303 /nfs/dbraw/zinc/78/23/03/534782303.db2.gz OOEPHUBGMBYFPY-RISCZKNCSA-N -1 0 325.792 2.953 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)[O-] ZINC000262920559 534795271 /nfs/dbraw/zinc/79/52/71/534795271.db2.gz NXWADASUKHAFOS-MRXNPFEDSA-N -1 0 341.411 2.947 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCCC2)cc1 ZINC000048585191 524996000 /nfs/dbraw/zinc/99/60/00/524996000.db2.gz DOQBBZNLPJTPME-UHFFFAOYSA-N -1 0 327.402 2.690 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 ZINC000064099421 525482642 /nfs/dbraw/zinc/48/26/42/525482642.db2.gz KGGPXAKPRCVKJX-KGLIPLIRSA-N -1 0 341.429 2.614 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2C#N)cc1C ZINC000193028032 525555718 /nfs/dbraw/zinc/55/57/18/525555718.db2.gz JWTKEJMKHXCGED-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)Cc2ccccc2F)cc1C#N ZINC000065116933 526215528 /nfs/dbraw/zinc/21/55/28/526215528.db2.gz ZNWUHSHGICGEKE-SNVBAGLBSA-N -1 0 345.399 2.881 20 30 EFEDRM N#Cc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)ccc1F ZINC000077398047 526566385 /nfs/dbraw/zinc/56/63/85/526566385.db2.gz QGPZOFMGKSJTJM-UHFFFAOYSA-N -1 0 338.338 2.896 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC000262984406 526631522 /nfs/dbraw/zinc/63/15/22/526631522.db2.gz NQOPIRYUNLTYPW-ZMSDIMECSA-N -1 0 344.436 2.503 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(Cl)c1 ZINC000225225408 526665108 /nfs/dbraw/zinc/66/51/08/526665108.db2.gz YGZNFZDAJAYMTC-UHFFFAOYSA-N -1 0 342.785 2.772 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(Cl)c1 ZINC000183059390 526683370 /nfs/dbraw/zinc/68/33/70/526683370.db2.gz SZESHPSFFDNPOJ-UHFFFAOYSA-N -1 0 347.783 2.507 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1 ZINC000090167055 526684235 /nfs/dbraw/zinc/68/42/35/526684235.db2.gz FULNUYZAYWZOBF-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)c1 ZINC000066813903 526729664 /nfs/dbraw/zinc/72/96/64/526729664.db2.gz WTCYXKNXKOGVCP-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000177300188 526909805 /nfs/dbraw/zinc/90/98/05/526909805.db2.gz OJSYVVHLJICKLO-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000164611422 527011326 /nfs/dbraw/zinc/01/13/26/527011326.db2.gz BUGAQMUUZNBLGC-CYBMUJFWSA-N -1 0 334.441 2.700 20 30 EFEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058153430 527191961 /nfs/dbraw/zinc/19/19/61/527191961.db2.gz TWUPMKPFASCTDE-UHFFFAOYSA-N -1 0 346.836 2.871 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1-c1ccccc1 ZINC000074563326 527575463 /nfs/dbraw/zinc/57/54/63/527575463.db2.gz QTZYMIXHSODVCD-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160828556 527637012 /nfs/dbraw/zinc/63/70/12/527637012.db2.gz VPADPGBJZFOANU-HNNXBMFYSA-N -1 0 330.428 2.601 20 30 EFEDRM CCCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC000347344229 535050232 /nfs/dbraw/zinc/05/02/32/535050232.db2.gz KYPKXIFECABBJT-AWEZNQCLSA-N -1 0 349.456 2.730 20 30 EFEDRM CCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329185378 535223942 /nfs/dbraw/zinc/22/39/42/535223942.db2.gz PJKNXWOPTQBZDC-CYBMUJFWSA-N -1 0 343.387 2.876 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(CC(C)C)c2)n1 ZINC000359506497 535727835 /nfs/dbraw/zinc/72/78/35/535727835.db2.gz UKJDSMFXQNVZDU-GFCCVEGCSA-N -1 0 346.412 2.662 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cncc(CC)c2)n1 ZINC000434564504 535728772 /nfs/dbraw/zinc/72/87/72/535728772.db2.gz GGMGXCKKZOCUHI-GFCCVEGCSA-N -1 0 329.381 2.767 20 30 EFEDRM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1Cl ZINC000342574094 535992881 /nfs/dbraw/zinc/99/28/81/535992881.db2.gz CWSDOZKOZQYGMG-UHFFFAOYSA-N -1 0 339.804 2.667 20 30 EFEDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)o2)c1-c1cccs1 ZINC000342569044 536012016 /nfs/dbraw/zinc/01/20/16/536012016.db2.gz LVVIDPMCHVJCLO-UHFFFAOYSA-N -1 0 348.409 2.966 20 30 EFEDRM COCCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000435338464 536679818 /nfs/dbraw/zinc/67/98/18/536679818.db2.gz FALIPPRTHYOGBQ-XFXZXTDPSA-N -1 0 325.368 2.536 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324468086 545821036 /nfs/dbraw/zinc/82/10/36/545821036.db2.gz AEVKGVHWWXVGDF-LJQANCHMSA-N -1 0 325.364 2.981 20 30 EFEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1ccc(C(F)(F)F)cn1 ZINC000355108170 546076830 /nfs/dbraw/zinc/07/68/30/546076830.db2.gz AJHXJWTXJZCSLS-SNVBAGLBSA-N -1 0 343.268 2.929 20 30 EFEDRM C=CCCn1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)nn1 ZINC000656565398 546843698 /nfs/dbraw/zinc/84/36/98/546843698.db2.gz NBXUKOIXUYCEPL-OAHLLOKOSA-N -1 0 334.807 2.813 20 30 EFEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nn1 ZINC000656565830 546843851 /nfs/dbraw/zinc/84/38/51/546843851.db2.gz VOINFHCLYAQPQM-HNNXBMFYSA-N -1 0 334.807 2.813 20 30 EFEDRM C=CCCNC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000656588285 546854785 /nfs/dbraw/zinc/85/47/85/546854785.db2.gz IILISAKPKRRWEQ-LBPRGKRZSA-N -1 0 331.199 2.864 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC000656718508 546899785 /nfs/dbraw/zinc/89/97/85/546899785.db2.gz STKMGBBTGOEBTC-AWEZNQCLSA-N -1 0 349.452 2.780 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])oc2CC)C1 ZINC000656718576 546899819 /nfs/dbraw/zinc/89/98/19/546899819.db2.gz VGWQVIHDTKYMAH-NSHDSACASA-N -1 0 327.402 2.517 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000671644638 547637410 /nfs/dbraw/zinc/63/74/10/547637410.db2.gz XWBYSPBPRHPHQM-INIZCTEOSA-N -1 0 331.393 2.661 20 30 EFEDRM N#CC(=C([O-])c1ccoc1CC(N)=O)c1nc2cc(F)ccc2s1 ZINC000671764203 547669235 /nfs/dbraw/zinc/66/92/35/547669235.db2.gz OVOROEVKAPENAX-JTQLQIEISA-N -1 0 343.339 2.546 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccccc1 ZINC000672774899 547799949 /nfs/dbraw/zinc/79/99/49/547799949.db2.gz JOEZIPATTCCKGR-UHFFFAOYSA-N -1 0 345.420 2.993 20 30 EFEDRM C=CCc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)cc(OC)c1OC ZINC000675971093 548383253 /nfs/dbraw/zinc/38/32/53/548383253.db2.gz DOJNXESWOUGECP-UHFFFAOYSA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCc1ccc(OCC(=O)NCC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000676024631 548393289 /nfs/dbraw/zinc/39/32/89/548393289.db2.gz OQWCWKJYMUXOQV-UHFFFAOYSA-N -1 0 347.411 2.564 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1 ZINC000678027449 548823456 /nfs/dbraw/zinc/82/34/56/548823456.db2.gz IITVPPQENOPWQR-JTQLQIEISA-N -1 0 329.360 2.927 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000678830449 548998143 /nfs/dbraw/zinc/99/81/43/548998143.db2.gz MWGOFFVDYVUYHB-UHFFFAOYSA-N -1 0 331.372 2.731 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1OC ZINC000679397935 549120608 /nfs/dbraw/zinc/12/06/08/549120608.db2.gz WUDRMOFKTLEZER-CQSZACIVSA-N -1 0 333.384 2.729 20 30 EFEDRM Cn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000682002312 549676215 /nfs/dbraw/zinc/67/62/15/549676215.db2.gz HONBRPMMGBVBJX-AWEZNQCLSA-N -1 0 342.362 2.848 20 30 EFEDRM COCCn1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000682235216 549716606 /nfs/dbraw/zinc/71/66/06/549716606.db2.gz WPHAZQDNIAYOCQ-NSHDSACASA-N -1 0 344.371 2.768 20 30 EFEDRM COc1cncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000682992237 549835542 /nfs/dbraw/zinc/83/55/42/549835542.db2.gz YXOOMBUTACEIML-VIFPVBQESA-N -1 0 328.328 2.724 20 30 EFEDRM C=CCc1cc(CNC(=O)CC(C)(C)CC(=O)[O-])cc(OC)c1OC ZINC000683302030 549878662 /nfs/dbraw/zinc/87/86/62/549878662.db2.gz IYFGFEJHIXGVND-UHFFFAOYSA-N -1 0 349.427 2.940 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684747584 550088555 /nfs/dbraw/zinc/08/85/55/550088555.db2.gz CXRXDTQLIJEPAW-HNNXBMFYSA-N -1 0 345.399 2.829 20 30 EFEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000684836914 550102315 /nfs/dbraw/zinc/10/23/15/550102315.db2.gz FSBMLIJNIVJAFE-ZDUSSCGKSA-N -1 0 335.367 2.944 20 30 EFEDRM O=S(=O)(CC/N=C/c1cc(Cl)cc(Cl)c1[O-])CC1CC1 ZINC000764415148 576455792 /nfs/dbraw/zinc/45/57/92/576455792.db2.gz XPDLEDLCKDVWRC-FRKPEAEDSA-N -1 0 336.240 2.943 20 30 EFEDRM COc1cc(Cl)c(C=NNc2nnc(C)c(=O)[n-]2)cc1Cl ZINC000753919630 575359457 /nfs/dbraw/zinc/35/94/57/575359457.db2.gz ZJEGJJPNINNNEW-UHFFFAOYSA-N -1 0 328.159 2.647 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(CC(=O)[O-])cc1 ZINC000754709834 575475253 /nfs/dbraw/zinc/47/52/53/575475253.db2.gz RQDOLXMMEXTVHN-UHFFFAOYSA-N -1 0 338.289 2.959 20 30 EFEDRM COc1cc(C=NNc2ccccc2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000755461536 575588800 /nfs/dbraw/zinc/58/88/00/575588800.db2.gz DZIXNXZFKLBNNI-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ocnc1C ZINC000755601060 575606437 /nfs/dbraw/zinc/60/64/37/575606437.db2.gz DASHYYFAFZRLJA-SNVBAGLBSA-N -1 0 347.758 2.915 20 30 EFEDRM Cn1ncc2c1nc(N=NCCCc1c(F)cccc1Cl)[n-]c2=O ZINC000755733598 575625229 /nfs/dbraw/zinc/62/52/29/575625229.db2.gz ISUQWFNIRZIYDT-UHFFFAOYSA-N -1 0 348.769 2.892 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c(Cl)c1 ZINC000755834467 575643466 /nfs/dbraw/zinc/64/34/66/575643466.db2.gz MDHLMFHIZHKLTO-UHFFFAOYSA-N -1 0 340.832 2.792 20 30 EFEDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cc1 ZINC000756088448 575682359 /nfs/dbraw/zinc/68/23/59/575682359.db2.gz DCXDCFOAZBZVTR-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000756093131 575683156 /nfs/dbraw/zinc/68/31/56/575683156.db2.gz HLXXQXAWMBTBRJ-CQSZACIVSA-N -1 0 339.457 2.671 20 30 EFEDRM C=C(C)[C@@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)OCC ZINC000756469930 575743645 /nfs/dbraw/zinc/74/36/45/575743645.db2.gz ILEYTPDRSFFBGN-GXTWGEPZSA-N -1 0 336.413 2.542 20 30 EFEDRM C=C(C)[C@@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)OCC ZINC000756469933 575743689 /nfs/dbraw/zinc/74/36/89/575743689.db2.gz ILEYTPDRSFFBGN-TZMCWYRMSA-N -1 0 336.413 2.542 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)OCC ZINC000756500482 575749743 /nfs/dbraw/zinc/74/97/43/575749743.db2.gz UGQWTFLVMJXJTK-VIFPVBQESA-N -1 0 337.850 2.578 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)OCC ZINC000756500479 575749926 /nfs/dbraw/zinc/74/99/26/575749926.db2.gz UGQWTFLVMJXJTK-SECBINFHSA-N -1 0 337.850 2.578 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)OCC ZINC000756523134 575754693 /nfs/dbraw/zinc/75/46/93/575754693.db2.gz FCYUOSVNEBISRV-KRWDZBQOSA-N -1 0 349.452 2.791 20 30 EFEDRM Cn1c(=O)oc2cc(/C=C/C(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000756630660 575770689 /nfs/dbraw/zinc/77/06/89/575770689.db2.gz GICFGNOJACILID-HWKANZROSA-N -1 0 329.333 2.787 20 30 EFEDRM COCCOc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756899347 575798591 /nfs/dbraw/zinc/79/85/91/575798591.db2.gz XLZZMFDPIFGXTL-UHFFFAOYSA-N -1 0 344.367 2.865 20 30 EFEDRM CCc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1OC)C(=O)N2 ZINC000756901476 575798771 /nfs/dbraw/zinc/79/87/71/575798771.db2.gz RMEVCEFBXDLGOY-UHFFFAOYSA-N -1 0 339.351 2.724 20 30 EFEDRM CCN1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2OC)C1=O ZINC000756905709 575799678 /nfs/dbraw/zinc/79/96/78/575799678.db2.gz GEERTRPDYQDANO-UHFFFAOYSA-N -1 0 339.351 2.576 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1)C(=O)[O-] ZINC000757467884 575839891 /nfs/dbraw/zinc/83/98/91/575839891.db2.gz NZHJHFVXUCQXOY-OKPNEXGHSA-N -1 0 328.320 2.846 20 30 EFEDRM CC(=NNCCCOc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC000757465309 575839903 /nfs/dbraw/zinc/83/99/03/575839903.db2.gz LUGIZCVKBVOYOY-UHFFFAOYSA-N -1 0 328.368 2.873 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1)C(=O)[O-] ZINC000757467882 575839919 /nfs/dbraw/zinc/83/99/19/575839919.db2.gz NZHJHFVXUCQXOY-JPVGGKMYSA-N -1 0 328.320 2.846 20 30 EFEDRM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1[O-] ZINC000757476539 575840376 /nfs/dbraw/zinc/84/03/76/575840376.db2.gz WXWKAZYWTKWERK-WAYWQWQTSA-N -1 0 327.292 2.968 20 30 EFEDRM Cc1cccc(F)c1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757901311 575855448 /nfs/dbraw/zinc/85/54/48/575855448.db2.gz XNEFGMVQKALNSB-UHFFFAOYSA-N -1 0 340.326 2.763 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758119655 575860270 /nfs/dbraw/zinc/86/02/70/575860270.db2.gz NXQLJQGTIJPHGI-UHFFFAOYSA-N -1 0 341.249 2.945 20 30 EFEDRM C[C@@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000758379902 575868160 /nfs/dbraw/zinc/86/81/60/575868160.db2.gz ZQEPXFLANVEMHO-GHMZBOCLSA-N -1 0 336.442 2.998 20 30 EFEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1 ZINC000758434357 575869726 /nfs/dbraw/zinc/86/97/26/575869726.db2.gz PXVVQDRBGZHCFE-DUWGPSABSA-N -1 0 342.347 2.934 20 30 EFEDRM O=C([O-])COc1ccc(Br)cc1C=NOCC(F)F ZINC000758899810 575879754 /nfs/dbraw/zinc/87/97/54/575879754.db2.gz NWZMOJDTDAMKPC-UHFFFAOYSA-N -1 0 338.104 2.528 20 30 EFEDRM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C=NOCC(F)F ZINC000758906254 575879907 /nfs/dbraw/zinc/87/99/07/575879907.db2.gz DBMUQQOIHNLDDN-UHFFFAOYSA-N -1 0 340.248 2.842 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1O ZINC000759088465 575884292 /nfs/dbraw/zinc/88/42/92/575884292.db2.gz ADRMFDWVVSJYHL-HYXAFXHYSA-N -1 0 345.307 2.919 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)c1 ZINC000759121510 575884932 /nfs/dbraw/zinc/88/49/32/575884932.db2.gz PENIQZQNNZYMEK-MDZDMXLPSA-N -1 0 349.346 2.627 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(N=Nc1ncccc1[N+](=O)[O-])CCC2 ZINC000759206234 575887069 /nfs/dbraw/zinc/88/70/69/575887069.db2.gz VXPSNECBILABIA-UHFFFAOYSA-N -1 0 330.300 2.742 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](CC)OCC ZINC000759232598 575887345 /nfs/dbraw/zinc/88/73/45/575887345.db2.gz UFYNBEUYIDAGRD-STQMWFEESA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000759244398 575887630 /nfs/dbraw/zinc/88/76/30/575887630.db2.gz ZKCJPRXGKHPZEC-HZSPNIEDSA-N -1 0 342.395 2.746 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759432741 575891614 /nfs/dbraw/zinc/89/16/14/575891614.db2.gz YRNBNZITTZKLPT-QMMMGPOBSA-N -1 0 332.228 2.608 20 30 EFEDRM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000759549282 575899158 /nfs/dbraw/zinc/89/91/58/575899158.db2.gz FTMYTQOHYVFOAY-WDEREUQCSA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000759713047 575924723 /nfs/dbraw/zinc/92/47/23/575924723.db2.gz FCZNQNOELFGOGF-QGZVFWFLSA-N -1 0 349.390 2.897 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713280 575925091 /nfs/dbraw/zinc/92/50/91/575925091.db2.gz KJTBJAYJEHHCBR-CQSZACIVSA-N -1 0 345.399 2.992 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000761288366 576140660 /nfs/dbraw/zinc/14/06/60/576140660.db2.gz BCIRDFMFUBXATC-MRXNPFEDSA-N -1 0 343.404 2.736 20 30 EFEDRM CCO[C@@H](CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000761413429 576156172 /nfs/dbraw/zinc/15/61/72/576156172.db2.gz QIMBDIVVSHQJLR-OCCSQVGLSA-N -1 0 338.429 2.622 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)nc2Cl)C(=O)O1 ZINC000761475156 576167707 /nfs/dbraw/zinc/16/77/07/576167707.db2.gz MVHDFGYVQXVVEN-KMOQFTEPSA-N -1 0 326.135 2.617 20 30 EFEDRM N#Cc1c(F)ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1Cl ZINC000761478207 576168209 /nfs/dbraw/zinc/16/82/09/576168209.db2.gz RDLSTEHKNHOCJN-WQLSENKSSA-N -1 0 341.729 2.812 20 30 EFEDRM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000762001705 576241344 /nfs/dbraw/zinc/24/13/44/576241344.db2.gz XFZAFMNYIFUKSC-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762023685 576244802 /nfs/dbraw/zinc/24/48/02/576244802.db2.gz GBGIAYBIUOIZSH-WMZOPIPTSA-N -1 0 340.423 2.962 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000762047935 576249046 /nfs/dbraw/zinc/24/90/46/576249046.db2.gz OQRKXAGTYQAIEC-UHFFFAOYSA-N -1 0 325.792 2.907 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)cc(C)c1Br ZINC000762069916 576252720 /nfs/dbraw/zinc/25/27/20/576252720.db2.gz YRALOJNWYZFJMZ-UHFFFAOYSA-N -1 0 326.190 2.779 20 30 EFEDRM O=C([N-]C[C@@H](O)c1cccc(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000762419265 576300393 /nfs/dbraw/zinc/30/03/93/576300393.db2.gz RHWGKQFXLCMMOA-MRVPVSSYSA-N -1 0 333.203 2.755 20 30 EFEDRM COc1cccc([C@@H](C#N)NC(=O)c2cc(F)c([O-])c(F)c2)c1OC ZINC000762598623 576316505 /nfs/dbraw/zinc/31/65/05/576316505.db2.gz RVCRJTXYDYAYSL-CYBMUJFWSA-N -1 0 348.305 2.682 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cccnc2)ccc1OCCC(=O)[O-] ZINC000763367344 576374440 /nfs/dbraw/zinc/37/44/40/576374440.db2.gz BGOJFSPDYJLYIJ-XQRVVYSFSA-N -1 0 327.336 2.840 20 30 EFEDRM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])cn2)nnn1-c1ccccc1 ZINC000763368988 576374489 /nfs/dbraw/zinc/37/44/89/576374489.db2.gz DBDPJYCSIQZGQH-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM Cc1cc(-n2c(C)cc(CN=Nc3ccc(C(=O)[O-])cn3)c2C)no1 ZINC000763372133 576374660 /nfs/dbraw/zinc/37/46/60/576374660.db2.gz UPMVAAOLJMRFKB-UHFFFAOYSA-N -1 0 339.355 2.930 20 30 EFEDRM COc1cc2c(c(CN=Nc3ccc(C(=O)[O-])cn3)c1)O[C@@H](C)C2 ZINC000763371075 576374668 /nfs/dbraw/zinc/37/46/68/576374668.db2.gz YUVZXYHAXYUROZ-JTQLQIEISA-N -1 0 327.340 2.558 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000763372083 576374677 /nfs/dbraw/zinc/37/46/77/576374677.db2.gz QVRDETQXYUOPJI-UHFFFAOYSA-N -1 0 338.367 2.743 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000763375172 576374756 /nfs/dbraw/zinc/37/47/56/576374756.db2.gz WKGFHZVCQGZTLA-UHFFFAOYSA-N -1 0 340.401 2.657 20 30 EFEDRM Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000763498054 576379412 /nfs/dbraw/zinc/37/94/12/576379412.db2.gz DASKRVHCASZZJS-UHFFFAOYSA-N -1 0 348.811 2.780 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccn2C(C)C)n1 ZINC000763891301 576407485 /nfs/dbraw/zinc/40/74/85/576407485.db2.gz OPHKRXHTUPNEAO-LBPRGKRZSA-N -1 0 331.397 2.867 20 30 EFEDRM COc1cccc(CC(=NNc2nnc(C)c(=O)[n-]2)c2ccccc2)c1 ZINC000764666182 576487176 /nfs/dbraw/zinc/48/71/76/576487176.db2.gz JBRWKZNULXNWQE-UHFFFAOYSA-N -1 0 349.394 2.953 20 30 EFEDRM N#CC(=C([O-])c1sc(N2CCCC2)nc1Cl)c1ccncn1 ZINC000764809110 576506373 /nfs/dbraw/zinc/50/63/73/576506373.db2.gz GJIAJUISHGXGGK-VIFPVBQESA-N -1 0 333.804 2.677 20 30 EFEDRM C[C@@H](Oc1cccc(CN=Nc2ncnc3ccsc32)c1)C(=O)[O-] ZINC000764839830 576510149 /nfs/dbraw/zinc/51/01/49/576510149.db2.gz DYYBWGCOWOKCKK-SNVBAGLBSA-N -1 0 342.380 2.989 20 30 EFEDRM O=C([O-])COc1cccc(CN=Nc2ncnc3ccsc32)c1 ZINC000764839972 576510519 /nfs/dbraw/zinc/51/05/19/576510519.db2.gz CWSVBOBSFVLKTL-UHFFFAOYSA-N -1 0 328.353 2.601 20 30 EFEDRM C#CCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000765474801 577045295 /nfs/dbraw/zinc/04/52/95/577045295.db2.gz SJCCEOPBHQSUCM-UHFFFAOYSA-N -1 0 343.404 2.976 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(OCC(F)(F)F)cn2)c1 ZINC000765479519 577045444 /nfs/dbraw/zinc/04/54/44/577045444.db2.gz UIHCNJAHCIBXQB-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1nncc2ccccc21 ZINC000765556302 577054200 /nfs/dbraw/zinc/05/42/00/577054200.db2.gz VWUMMQASJPFANQ-UHFFFAOYSA-N -1 0 332.323 2.650 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(C)nc2sc(C)nn12 ZINC000765584504 577056542 /nfs/dbraw/zinc/05/65/42/577056542.db2.gz OXEJTZTXSYEWCQ-UHFFFAOYSA-N -1 0 345.384 2.560 20 30 EFEDRM CSc1ccc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)c(Cl)c1 ZINC000765606344 577059091 /nfs/dbraw/zinc/05/90/91/577059091.db2.gz VHSIFQVWOCVDJN-DJWKRKHSSA-N -1 0 337.788 2.634 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000766002913 577097585 /nfs/dbraw/zinc/09/75/85/577097585.db2.gz RGCBSFIKGHORIH-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM Cn1ncc2c1nc(N=NCCc1ccc(F)cc1Cl)[n-]c2=O ZINC000766451491 577151763 /nfs/dbraw/zinc/15/17/63/577151763.db2.gz RFFVTJPGXFJUKW-UHFFFAOYSA-N -1 0 334.742 2.502 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000766501345 577158724 /nfs/dbraw/zinc/15/87/24/577158724.db2.gz FQKAJOSWQKJNQP-QPJJXVBHSA-N -1 0 344.319 2.816 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000766502509 577158942 /nfs/dbraw/zinc/15/89/42/577158942.db2.gz OQIFSXDCLZCEEP-MLRMMBSGSA-N -1 0 344.319 2.814 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)ccc1C#N ZINC000766546782 577164883 /nfs/dbraw/zinc/16/48/83/577164883.db2.gz DGTZEWRFUUSPGM-UHFFFAOYSA-N -1 0 345.355 2.709 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc(OC)c1OC ZINC000767050853 577194115 /nfs/dbraw/zinc/19/41/15/577194115.db2.gz FPCMYGOQTIGDMX-SFHVURJKSA-N -1 0 335.400 2.806 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000767739640 577231079 /nfs/dbraw/zinc/23/10/79/577231079.db2.gz ZFWQJNYFJMHFPQ-OQFOIZHKSA-N -1 0 327.292 2.983 20 30 EFEDRM O=S(=O)(NN=Cc1cc(Cl)cc(F)c1[O-])c1ccc(F)cc1 ZINC000768367365 577268996 /nfs/dbraw/zinc/26/89/96/577268996.db2.gz PTASSRYSOARYDM-UHFFFAOYSA-N -1 0 346.742 2.636 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000768376250 577269852 /nfs/dbraw/zinc/26/98/52/577269852.db2.gz RTTWPEUDGUUIPM-UHFFFAOYSA-N -1 0 344.758 2.906 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2ccccc2OCC(=O)[O-])c1 ZINC000768378846 577270083 /nfs/dbraw/zinc/27/00/83/577270083.db2.gz BEWLHFUIUDMDFO-UHFFFAOYSA-N -1 0 330.731 2.516 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCSC(F)(F)F)C(=O)[O-])cc1 ZINC000739110467 577281454 /nfs/dbraw/zinc/28/14/54/577281454.db2.gz QLARARFYEJVKNT-NSHDSACASA-N -1 0 333.287 2.870 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnc(NC3CC3)s2)C(=O)[O-])cc1 ZINC000739119267 577282509 /nfs/dbraw/zinc/28/25/09/577282509.db2.gz XQOYVMSIXUEERS-NSHDSACASA-N -1 0 332.410 2.902 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000739128820 577283710 /nfs/dbraw/zinc/28/37/10/577283710.db2.gz LGSGDCGVVSDVRP-UHFFFAOYSA-N -1 0 325.320 2.882 20 30 EFEDRM N#Cc1cccc(-c2nnc(CSc3ncccc3C(=O)[O-])o2)c1 ZINC000739133086 577284335 /nfs/dbraw/zinc/28/43/35/577284335.db2.gz ZUQKGAKQHBFPJC-UHFFFAOYSA-N -1 0 338.348 2.994 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc2ncccc21 ZINC000738922363 577287233 /nfs/dbraw/zinc/28/72/33/577287233.db2.gz GXNXFAZEBNEIBO-UHFFFAOYSA-N -1 0 337.383 2.969 20 30 EFEDRM O=C([O-])CCOc1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1 ZINC000768841123 577308270 /nfs/dbraw/zinc/30/82/70/577308270.db2.gz GTEZERRPAYPZHH-QBFSEMIESA-N -1 0 339.347 2.853 20 30 EFEDRM COc1csc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000747082788 577349927 /nfs/dbraw/zinc/34/99/27/577349927.db2.gz JIKGOKNKOXVVLH-JTQLQIEISA-N -1 0 336.394 2.555 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000726322340 577360674 /nfs/dbraw/zinc/36/06/74/577360674.db2.gz VORQDGNBYNMOBA-SECBINFHSA-N -1 0 347.346 2.713 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cn(C)nc1C(C)(C)C ZINC000769585180 577373489 /nfs/dbraw/zinc/37/34/89/577373489.db2.gz LTHBPEIMWHMWDK-UHFFFAOYSA-N -1 0 330.388 2.870 20 30 EFEDRM Cn1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(-c2cccs2)n1 ZINC000769589887 577373673 /nfs/dbraw/zinc/37/36/73/577373673.db2.gz ORXBFILNLOBJLH-UHFFFAOYSA-N -1 0 327.369 2.688 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000769726070 577381146 /nfs/dbraw/zinc/38/11/46/577381146.db2.gz HFMRSARTVICFQS-UHFFFAOYSA-N -1 0 335.784 2.812 20 30 EFEDRM COc1ccc2c(c1)C(=N[N-]c1nc(-c3ccccc3)no1)C(=O)N2 ZINC000726739629 577383285 /nfs/dbraw/zinc/38/32/85/577383285.db2.gz PFHFZCKLTLOREV-UHFFFAOYSA-N -1 0 335.323 2.514 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC=CCc1ccco1)[n-]c2=O ZINC000769806661 577386756 /nfs/dbraw/zinc/38/67/56/577386756.db2.gz AJNDBACZDXUBPL-DZTFTPSCSA-N -1 0 326.360 2.991 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ccnc(Br)c2)c1 ZINC000769809384 577386924 /nfs/dbraw/zinc/38/69/24/577386924.db2.gz BTFSAJREKTWVQY-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM O=C([O-])COc1cccc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000769820984 577387867 /nfs/dbraw/zinc/38/78/67/577387867.db2.gz ASOWQNXVVUKWHW-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNc3ccc(F)c([N+](=O)[O-])c3)[nH]nc2c1 ZINC000769828505 577388154 /nfs/dbraw/zinc/38/81/54/577388154.db2.gz JAYWPYDLCAPQHM-UHFFFAOYSA-N -1 0 343.274 2.754 20 30 EFEDRM COC(=O)c1ccc([O-])c(C=NNc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000769828212 577388192 /nfs/dbraw/zinc/38/81/92/577388192.db2.gz FEXXHIITAZKIJK-UHFFFAOYSA-N -1 0 333.275 2.672 20 30 EFEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(C)C ZINC000770096300 577401908 /nfs/dbraw/zinc/40/19/08/577401908.db2.gz JPXOTBYVGHXHIZ-QGZVFWFLSA-N -1 0 327.428 2.866 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1 ZINC000770103312 577402279 /nfs/dbraw/zinc/40/22/79/577402279.db2.gz WUVIXSGDVFCYGX-AWEZNQCLSA-N -1 0 333.407 2.911 20 30 EFEDRM CCC[C@H](C#N)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000770331433 577411357 /nfs/dbraw/zinc/41/13/57/577411357.db2.gz HOQLGVBCYMKBPK-CQSZACIVSA-N -1 0 345.424 2.633 20 30 EFEDRM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000770360507 577412742 /nfs/dbraw/zinc/41/27/42/577412742.db2.gz HUBFBFJFCHPZGU-LURJTMIESA-N -1 0 340.601 2.542 20 30 EFEDRM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000770360535 577412789 /nfs/dbraw/zinc/41/27/89/577412789.db2.gz HUBFBFJFCHPZGU-ZCFIWIBFSA-N -1 0 340.601 2.542 20 30 EFEDRM CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000770463144 577419884 /nfs/dbraw/zinc/41/98/84/577419884.db2.gz RPFYBYFPPRJIKR-UHFFFAOYSA-N -1 0 348.811 2.893 20 30 EFEDRM Cc1cc(CN=Nc2nccnc2Cl)cc(C)c1OCC(=O)[O-] ZINC000738378824 577423577 /nfs/dbraw/zinc/42/35/77/577423577.db2.gz KFOBXFRHFYWCQU-UHFFFAOYSA-N -1 0 334.763 2.656 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000770568856 581111290 /nfs/dbraw/zinc/11/12/90/581111290.db2.gz QNYACTSZXGEVLQ-JHNNIFNZSA-N -1 0 340.763 2.711 20 30 EFEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000770872104 581144087 /nfs/dbraw/zinc/14/40/87/581144087.db2.gz RRVDHCFYNGQPPY-OAHLLOKOSA-N -1 0 325.368 2.550 20 30 EFEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCC1 ZINC000771077372 581172216 /nfs/dbraw/zinc/17/22/16/581172216.db2.gz DSVDZDMFKUYNCP-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771079938 581172483 /nfs/dbraw/zinc/17/24/83/581172483.db2.gz NNHDZCRWITVIGK-OAHLLOKOSA-N -1 0 334.441 2.566 20 30 EFEDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000771081164 581172751 /nfs/dbraw/zinc/17/27/51/581172751.db2.gz UPPLOGBDRNNUJU-HDJSIYSDSA-N -1 0 326.462 2.589 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3sccc32)c1 ZINC000771566350 581223329 /nfs/dbraw/zinc/22/33/29/581223329.db2.gz LWWXJDZEFUVWGI-CQSZACIVSA-N -1 0 346.433 2.545 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C2CCSCC2)n1 ZINC000772643629 581350909 /nfs/dbraw/zinc/35/09/09/581350909.db2.gz DVPSBJUNOPMLPW-NSHDSACASA-N -1 0 336.438 2.949 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000772720815 581359634 /nfs/dbraw/zinc/35/96/34/581359634.db2.gz VXYKOVHVZQTPPE-UHFFFAOYSA-N -1 0 334.422 2.639 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000772724220 581360250 /nfs/dbraw/zinc/36/02/50/581360250.db2.gz UYACYUDBLUJEHT-UHFFFAOYSA-N -1 0 337.347 2.877 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000772799297 581369769 /nfs/dbraw/zinc/36/97/69/581369769.db2.gz ATJIZISHLRNPJB-TWGQIWQCSA-N -1 0 327.292 2.983 20 30 EFEDRM COc1cccc(NC(=S)NN=C(C)c2ccc(C(=O)[O-])o2)c1 ZINC000773006149 581387032 /nfs/dbraw/zinc/38/70/32/581387032.db2.gz QPMDAMMGJQDUOA-UHFFFAOYSA-N -1 0 333.369 2.697 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773342484 581421196 /nfs/dbraw/zinc/42/11/96/581421196.db2.gz XDOGENAHRUIGEN-UHFFFAOYSA-N -1 0 331.259 2.594 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773731894 581459098 /nfs/dbraw/zinc/45/90/98/581459098.db2.gz XHHVJBKKRKHLBC-JTQLQIEISA-N -1 0 327.296 2.844 20 30 EFEDRM C#CCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c(C)c1C(=O)OCC ZINC000773760056 581462328 /nfs/dbraw/zinc/46/23/28/581462328.db2.gz HURBZYASLJQLDK-CQSZACIVSA-N -1 0 342.395 2.893 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F ZINC000773975113 581476292 /nfs/dbraw/zinc/47/62/92/581476292.db2.gz UNEFMQLKOALFEK-AWEZNQCLSA-N -1 0 348.374 2.631 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)co1 ZINC000773979745 581476560 /nfs/dbraw/zinc/47/65/60/581476560.db2.gz KGFNROCPPHXKQH-ZDUSSCGKSA-N -1 0 327.340 2.597 20 30 EFEDRM Cc1sc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000738993142 581506356 /nfs/dbraw/zinc/50/63/56/581506356.db2.gz PLDJIZIDUICHFO-ZDUSSCGKSA-N -1 0 346.320 2.819 20 30 EFEDRM NC(=NOCc1cc(C(=O)[O-])co1)c1cc(Br)cs1 ZINC000739146057 599844662 /nfs/dbraw/zinc/84/46/62/599844662.db2.gz ZHAABHUUDLRNSY-UHFFFAOYSA-N -1 0 345.174 2.639 20 30 EFEDRM C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)[O-] ZINC000738503872 597049698 /nfs/dbraw/zinc/04/96/98/597049698.db2.gz WICOJZVODFLPSN-JTQLQIEISA-N -1 0 337.376 2.747 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000738503404 597049871 /nfs/dbraw/zinc/04/98/71/597049871.db2.gz QHQHBZBAAIZSHN-QMMMGPOBSA-N -1 0 336.438 2.698 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817675384 597121431 /nfs/dbraw/zinc/12/14/31/597121431.db2.gz UXWLOWLZJKSSLW-GFCCVEGCSA-N -1 0 334.347 2.556 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000818039336 597205911 /nfs/dbraw/zinc/20/59/11/597205911.db2.gz ADVHCUBJTYJZDK-LLVKDONJSA-N -1 0 325.324 2.945 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nn(CN(C)CC(=O)[O-])c1=S ZINC000817685752 597226058 /nfs/dbraw/zinc/22/60/58/597226058.db2.gz DDUPLTGZHNRXJX-UHFFFAOYSA-N -1 0 332.429 2.549 20 30 EFEDRM Cc1ccc(Br)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000821058218 597604881 /nfs/dbraw/zinc/60/48/81/597604881.db2.gz CMMRYUAGPGHKOF-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000819832322 597607048 /nfs/dbraw/zinc/60/70/48/597607048.db2.gz AXMAGRKDBAWURD-BFUOFWGJSA-N -1 0 328.412 2.962 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000819832333 597607196 /nfs/dbraw/zinc/60/71/96/597607196.db2.gz AXMAGRKDBAWURD-ORAYPTAESA-N -1 0 328.412 2.962 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000819824572 597609011 /nfs/dbraw/zinc/60/90/11/597609011.db2.gz ZAVRBDSMAAJJQI-WFASDCNBSA-N -1 0 342.317 2.671 20 30 EFEDRM COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc(OC)c1C(C)C ZINC000820770873 597610991 /nfs/dbraw/zinc/61/09/91/597610991.db2.gz QXLAVCFJRLWTDL-QGZVFWFLSA-N -1 0 334.372 2.770 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000819866773 597612889 /nfs/dbraw/zinc/61/28/89/597612889.db2.gz ZUEPDVFMCUXFPC-AWEZNQCLSA-N -1 0 344.150 2.724 20 30 EFEDRM Cc1c2ccccc2sc1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820934274 597613545 /nfs/dbraw/zinc/61/35/45/597613545.db2.gz RBWHHSBADIMROU-KRWDZBQOSA-N -1 0 345.376 2.940 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)c(F)c1 ZINC000819874239 597614382 /nfs/dbraw/zinc/61/43/82/597614382.db2.gz JLBZMTDDNDPHJB-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1ccccc1-c1noc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])n1 ZINC000821120153 597614905 /nfs/dbraw/zinc/61/49/05/597614905.db2.gz PEFRFQQJKQZZPT-GTNSWQLSSA-N -1 0 343.339 2.654 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Nc2ccccc2)n1 ZINC000819873841 597616684 /nfs/dbraw/zinc/61/66/84/597616684.db2.gz DOVVTCLBFHSHDU-MRXNPFEDSA-N -1 0 345.380 2.934 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(F)ccc1Br ZINC000819873987 597623526 /nfs/dbraw/zinc/62/35/26/597623526.db2.gz FYUVAGXNFBAFSB-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000819874885 597624806 /nfs/dbraw/zinc/62/48/06/597624806.db2.gz SELILRPWCWMGMK-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820161554 597625190 /nfs/dbraw/zinc/62/51/90/597625190.db2.gz QQCJQMLVDZSOAL-FRPBSDORSA-N -1 0 347.411 2.708 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000819810896 597629580 /nfs/dbraw/zinc/62/95/80/597629580.db2.gz HHUXCEYEJJIDIS-LJQANCHMSA-N -1 0 339.395 2.878 20 30 EFEDRM Cc1nc(-c2cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)[nH]c1C ZINC000821152951 597638826 /nfs/dbraw/zinc/63/88/26/597638826.db2.gz LZXHGOLJUPWPRA-QGZVFWFLSA-N -1 0 326.356 2.637 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000819812061 597653706 /nfs/dbraw/zinc/65/37/06/597653706.db2.gz YFMDKOFZQMQJNF-PMACEKPBSA-N -1 0 340.423 2.888 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000819812062 597654036 /nfs/dbraw/zinc/65/40/36/597654036.db2.gz YFMDKOFZQMQJNF-UXHICEINSA-N -1 0 340.423 2.888 20 30 EFEDRM Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNCCC(=O)[O-] ZINC000821196280 597741574 /nfs/dbraw/zinc/74/15/74/597741574.db2.gz CQJPTSKNXCRTTB-UHFFFAOYSA-N -1 0 341.198 2.886 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000820729859 598136680 /nfs/dbraw/zinc/13/66/80/598136680.db2.gz BNAGJXCUZOWXJE-UHFFFAOYSA-N -1 0 338.363 2.545 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000820580258 598169924 /nfs/dbraw/zinc/16/99/24/598169924.db2.gz YVMCVRNQZGZXPG-UHFFFAOYSA-N -1 0 337.379 2.841 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000821336222 598185020 /nfs/dbraw/zinc/18/50/20/598185020.db2.gz VQWUYIZBSBMARW-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM CS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1F ZINC000126440714 598201659 /nfs/dbraw/zinc/20/16/59/598201659.db2.gz MAGJUXBTADNPPC-FNORWQNLSA-N -1 0 348.351 2.824 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000819856794 598221796 /nfs/dbraw/zinc/22/17/96/598221796.db2.gz NAFTZZOKIRNTHT-ZDUSSCGKSA-N -1 0 332.690 2.884 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Br ZINC000820115878 598222439 /nfs/dbraw/zinc/22/24/39/598222439.db2.gz ZYKIOYUUGQAYFX-YMTOWFKASA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Br ZINC000820115872 598222486 /nfs/dbraw/zinc/22/24/86/598222486.db2.gz ZYKIOYUUGQAYFX-OTYXRUKQSA-N -1 0 339.189 2.631 20 30 EFEDRM Cn1ccnc1Sc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000821305285 598223257 /nfs/dbraw/zinc/22/32/57/598223257.db2.gz VLNAMWSCUPQDJE-INIZCTEOSA-N -1 0 344.396 2.514 20 30 EFEDRM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820607827 598223529 /nfs/dbraw/zinc/22/35/29/598223529.db2.gz XXZUCSRVIMWYMG-CQSZACIVSA-N -1 0 344.289 2.548 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820114564 598223897 /nfs/dbraw/zinc/22/38/97/598223897.db2.gz PLBBXDZOYYCWOI-LKFCYVNXSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000819866433 598223901 /nfs/dbraw/zinc/22/39/01/598223901.db2.gz WVADZCBCADEEGM-MRXNPFEDSA-N -1 0 347.371 2.816 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000819856754 598224457 /nfs/dbraw/zinc/22/44/57/598224457.db2.gz MSSGJZMEVAONCO-GOSISDBHSA-N -1 0 339.351 2.604 20 30 EFEDRM Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc1Cc1ccccc1 ZINC000821176360 598224620 /nfs/dbraw/zinc/22/46/20/598224620.db2.gz SQVRPHVJXQCPJM-QGZVFWFLSA-N -1 0 343.408 2.985 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000819847504 598224722 /nfs/dbraw/zinc/22/47/22/598224722.db2.gz NGTZVLSHVKIXMD-MRXNPFEDSA-N -1 0 337.326 2.508 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1F ZINC000819846359 598224757 /nfs/dbraw/zinc/22/47/57/598224757.db2.gz AVQJRYXWUPVDDD-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821045826 598225385 /nfs/dbraw/zinc/22/53/85/598225385.db2.gz FUTNZXASPQAAOA-QGZVFWFLSA-N -1 0 340.339 2.520 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000819833268 598225419 /nfs/dbraw/zinc/22/54/19/598225419.db2.gz FQYCAWYLMPAZJQ-XHDPSFHLSA-N -1 0 338.816 2.998 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000819833261 598225480 /nfs/dbraw/zinc/22/54/80/598225480.db2.gz FQYCAWYLMPAZJQ-ABAIWWIYSA-N -1 0 338.816 2.998 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000819842545 598225602 /nfs/dbraw/zinc/22/56/02/598225602.db2.gz RHKHZILFRHHODR-CQSZACIVSA-N -1 0 329.183 2.657 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819927172 598226867 /nfs/dbraw/zinc/22/68/67/598226867.db2.gz FFTQPWJOXQGROO-QGZVFWFLSA-N -1 0 347.371 2.977 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000819857502 598226906 /nfs/dbraw/zinc/22/69/06/598226906.db2.gz XSELEOCTFCMQTD-INIZCTEOSA-N -1 0 335.791 2.883 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819874747 598227050 /nfs/dbraw/zinc/22/70/50/598227050.db2.gz QEECTZWGYJGNFQ-BZNIZROVSA-N -1 0 331.397 2.881 20 30 EFEDRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000819914828 598228917 /nfs/dbraw/zinc/22/89/17/598228917.db2.gz ICGXZNPKBSVDOT-SFHVURJKSA-N -1 0 346.383 2.514 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)c(Br)c1 ZINC000819846606 598228918 /nfs/dbraw/zinc/22/89/18/598228918.db2.gz DULDSEDASLDDEX-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000819848840 598229735 /nfs/dbraw/zinc/22/97/35/598229735.db2.gz UZGFVOMHUHEMLK-LJQANCHMSA-N -1 0 337.379 2.810 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000819848838 598229832 /nfs/dbraw/zinc/22/98/32/598229832.db2.gz UZGFVOMHUHEMLK-IBGZPJMESA-N -1 0 337.379 2.810 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000819856683 598230028 /nfs/dbraw/zinc/23/00/28/598230028.db2.gz LUPALUWXYDRBKD-KRWDZBQOSA-N -1 0 340.339 2.557 20 30 EFEDRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820266862 598230071 /nfs/dbraw/zinc/23/00/71/598230071.db2.gz WGBVKLYKMYVNGW-ACJLOTCBSA-N -1 0 332.400 2.793 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819821453 598230236 /nfs/dbraw/zinc/23/02/36/598230236.db2.gz GWYTZDQNBBZGTG-SUMWQHHRSA-N -1 0 328.368 2.554 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000820115150 598230261 /nfs/dbraw/zinc/23/02/61/598230261.db2.gz UHAIEAYJUFTFKT-ZMZPIMSZSA-N -1 0 348.374 2.796 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000820115138 598230288 /nfs/dbraw/zinc/23/02/88/598230288.db2.gz UHAIEAYJUFTFKT-ADLMAVQZSA-N -1 0 348.374 2.796 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000819822528 598230644 /nfs/dbraw/zinc/23/06/44/598230644.db2.gz OWCWBDXYZAEGGZ-KBXCAEBGSA-N -1 0 342.395 2.944 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000819856203 598230728 /nfs/dbraw/zinc/23/07/28/598230728.db2.gz HRVGSTCCJLHINB-CYBMUJFWSA-N -1 0 341.245 2.790 20 30 EFEDRM C=CCOCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736109753 599729173 /nfs/dbraw/zinc/72/91/73/599729173.db2.gz YCDNWOSJUKAQHF-UHFFFAOYSA-N -1 0 335.359 2.926 20 30 EFEDRM N#CCn1c(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2ccccc21 ZINC000738424938 599736210 /nfs/dbraw/zinc/73/62/10/599736210.db2.gz HVMORFKGZSAFGY-UHFFFAOYSA-N -1 0 347.374 2.892 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc2ccccc21 ZINC000739093113 599746604 /nfs/dbraw/zinc/74/66/04/599746604.db2.gz ZOJXICIYEBSKDA-HNNXBMFYSA-N -1 0 339.376 2.782 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000739091060 599748216 /nfs/dbraw/zinc/74/82/16/599748216.db2.gz FCMSFSNXERHVTJ-KRWDZBQOSA-N -1 0 333.347 2.721 20 30 EFEDRM COc1ccc([C@H](NC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])cc1 ZINC000737960152 599758837 /nfs/dbraw/zinc/75/88/37/599758837.db2.gz VFPNZWNPIYQGEA-YFWYWMRJSA-N -1 0 336.347 2.522 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000737095112 599796977 /nfs/dbraw/zinc/79/69/77/599796977.db2.gz SKMUYHKXQGLSQM-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCNC(=O)[O-])cc1 ZINC000736892586 599798461 /nfs/dbraw/zinc/79/84/61/599798461.db2.gz WHQCASYBKUHAQV-FZMZJTMJSA-N -1 0 331.372 2.505 20 30 EFEDRM O=C([O-])N1CCC[C@@H](/N=C\c2cc(Br)ccc2O)C1 ZINC000739925101 599801593 /nfs/dbraw/zinc/80/15/93/599801593.db2.gz UHHKQWHMGGFLQT-LYGDGENHSA-N -1 0 327.178 2.716 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1NC(C)=O ZINC000737920515 599801909 /nfs/dbraw/zinc/80/19/09/599801909.db2.gz MFENLXWZZVJPTN-HWKANZROSA-N -1 0 329.308 2.841 20 30 EFEDRM CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)(C)C(=O)[O-] ZINC000737336987 599827048 /nfs/dbraw/zinc/82/70/48/599827048.db2.gz RQEXHWUENBTGRP-UHFFFAOYSA-N -1 0 342.351 2.665 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000739117138 599834956 /nfs/dbraw/zinc/83/49/56/599834956.db2.gz IRRHJXYACJZDJW-UHFFFAOYSA-N -1 0 326.377 2.988 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000739123040 599839815 /nfs/dbraw/zinc/83/98/15/599839815.db2.gz LUMUILFKCFZQGH-HNNXBMFYSA-N -1 0 340.335 2.562 20 30 EFEDRM N#CCn1c(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc2ccccc21 ZINC000739090916 599842087 /nfs/dbraw/zinc/84/20/87/599842087.db2.gz AEKRFICRFWQKTK-AWEZNQCLSA-N -1 0 325.368 2.634 20 30 EFEDRM N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739145940 599843174 /nfs/dbraw/zinc/84/31/74/599843174.db2.gz WUDGSJDYVFRFTC-SNVBAGLBSA-N -1 0 348.765 2.875 20 30 EFEDRM N#Cc1cc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)ccc1F ZINC000739099303 599844347 /nfs/dbraw/zinc/84/43/47/599844347.db2.gz TVZQBWSJYJWKBD-UHFFFAOYSA-N -1 0 337.310 2.989 20 30 EFEDRM Cc1cccc(C[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C(=O)[O-])c1 ZINC000738708527 599854838 /nfs/dbraw/zinc/85/48/38/599854838.db2.gz WMFNUNPUDONXTN-CQSZACIVSA-N -1 0 340.339 2.525 20 30 EFEDRM CC(C)N(CC(=O)[O-])CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000736202354 599855865 /nfs/dbraw/zinc/85/58/65/599855865.db2.gz MPPNOEMRUWTWAZ-ZDUSSCGKSA-N -1 0 349.456 2.672 20 30 EFEDRM CN1N=C(c2cc(C(=O)[O-])co2)CS/C1=N\Cc1ccccc1 ZINC000737529458 599857760 /nfs/dbraw/zinc/85/77/60/599857760.db2.gz JSIWLSJKHWNDQG-MSUUIHNZSA-N -1 0 329.381 2.917 20 30 EFEDRM COc1cccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)c1 ZINC000738106515 599857798 /nfs/dbraw/zinc/85/77/98/599857798.db2.gz NWELIIOYPWMRDQ-UHFFFAOYSA-N -1 0 331.353 2.715 20 30 EFEDRM Cc1cc(C(=O)NCCCC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738204727 599868613 /nfs/dbraw/zinc/86/86/13/599868613.db2.gz QEDZUFODKXWZPH-UHFFFAOYSA-N -1 0 325.368 2.560 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738958184 599880360 /nfs/dbraw/zinc/88/03/60/599880360.db2.gz VDFMRCXWOXUWOH-UHFFFAOYSA-N -1 0 340.291 2.899 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736390175 599883449 /nfs/dbraw/zinc/88/34/49/599883449.db2.gz HAAOWIVUBGYARU-INIZCTEOSA-N -1 0 343.335 2.996 20 30 EFEDRM CCc1[nH]c(C(=O)NCc2ccc(C#N)cc2F)c(C)c1C(=O)[O-] ZINC000737243435 599885516 /nfs/dbraw/zinc/88/55/16/599885516.db2.gz FTQSOPFEGIPTPL-UHFFFAOYSA-N -1 0 329.331 2.525 20 30 EFEDRM CCOc1ccc(O)c(/C=N/CCOc2ccc(C(=O)[O-])cc2)c1 ZINC000737203155 599886602 /nfs/dbraw/zinc/88/66/02/599886602.db2.gz JSCCQLNGFRTNEK-XDHOZWIPSA-N -1 0 329.352 2.987 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000736506140 599888826 /nfs/dbraw/zinc/88/88/26/599888826.db2.gz LWDRCADFPULAPR-ZDUSSCGKSA-N -1 0 344.396 2.912 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cccc2cnccc21 ZINC000738922502 599890584 /nfs/dbraw/zinc/89/05/84/599890584.db2.gz JOZIQNLFPVYKRI-UHFFFAOYSA-N -1 0 337.383 2.969 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736433015 599892450 /nfs/dbraw/zinc/89/24/50/599892450.db2.gz ZBLBDUDQTDZWQU-INIZCTEOSA-N -1 0 331.416 2.835 20 30 EFEDRM CCOc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1OCC(=O)[O-] ZINC000737186243 599892951 /nfs/dbraw/zinc/89/29/51/599892951.db2.gz JHYMBRAUALSLCP-UHFFFAOYSA-N -1 0 340.335 2.673 20 30 EFEDRM N#Cc1ccc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738434749 599893453 /nfs/dbraw/zinc/89/34/53/599893453.db2.gz NMCORZKPDSWFKH-UHFFFAOYSA-N -1 0 326.377 2.665 20 30 EFEDRM CCc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(C)=O)s1 ZINC000737260181 599905277 /nfs/dbraw/zinc/90/52/77/599905277.db2.gz BMWOZENMJWTRRX-AWEZNQCLSA-N -1 0 348.424 2.715 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNC(=S)Nc2ccccc2F)c1 ZINC000740155866 599905855 /nfs/dbraw/zinc/90/58/55/599905855.db2.gz ZBCGEJJDZLUZKO-UHFFFAOYSA-N -1 0 333.344 2.550 20 30 EFEDRM N#Cc1ccc(SCC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000738434850 599907571 /nfs/dbraw/zinc/90/75/71/599907571.db2.gz PZHRTSUFWVOTIN-UHFFFAOYSA-N -1 0 340.404 2.764 20 30 EFEDRM O=C([O-])c1ccc(O)c(CN=Nc2ncccc2C(F)(F)F)c1 ZINC000740161971 599907432 /nfs/dbraw/zinc/90/74/32/599907432.db2.gz WGJFUPXPQPTKCM-UHFFFAOYSA-N -1 0 325.246 2.950 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000237052015 599907577 /nfs/dbraw/zinc/90/75/77/599907577.db2.gz KGOTYJVGZCFDPF-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1occc1COc1cccc(C#N)c1 ZINC000737097726 599914140 /nfs/dbraw/zinc/91/41/40/599914140.db2.gz ZGHQXMQEMWBZOD-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000737203750 599917388 /nfs/dbraw/zinc/91/73/88/599917388.db2.gz OFOQGNDWFKFRHZ-UHFFFAOYSA-N -1 0 339.351 2.739 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000107885655 599932169 /nfs/dbraw/zinc/93/21/69/599932169.db2.gz BLGHVAZJHXDQDN-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM N#CC1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCCCC1 ZINC000739066536 599941402 /nfs/dbraw/zinc/94/14/02/599941402.db2.gz OFFYDBAVEBYHHJ-CQSZACIVSA-N -1 0 332.375 2.659 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000739091036 599972393 /nfs/dbraw/zinc/97/23/93/599972393.db2.gz DRYVLODCRMNOIO-HNNXBMFYSA-N -1 0 330.290 2.587 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000739118667 599976342 /nfs/dbraw/zinc/97/63/42/599976342.db2.gz UPXQFQMAKSLHMQ-QGZVFWFLSA-N -1 0 344.317 2.711 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000739118664 599976373 /nfs/dbraw/zinc/97/63/73/599976373.db2.gz UPXQFQMAKSLHMQ-KRWDZBQOSA-N -1 0 344.317 2.711 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(O[C@H](C)C#N)cc2)C(C(=O)[O-])=C1C ZINC000736106836 599983459 /nfs/dbraw/zinc/98/34/59/599983459.db2.gz MOMGBPZLAASSBL-BZNIZROVSA-N -1 0 341.367 2.588 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC#N)c2)NC(=O)N1CC(C)C ZINC000736752574 599984702 /nfs/dbraw/zinc/98/47/02/599984702.db2.gz WPJKSGQUYFKANV-MRXNPFEDSA-N -1 0 343.383 2.670 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000738430215 599986321 /nfs/dbraw/zinc/98/63/21/599986321.db2.gz CCTBZXQHOBDNTO-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736095386 599997351 /nfs/dbraw/zinc/99/73/51/599997351.db2.gz TVAOFZJDZFAWNU-LBPRGKRZSA-N -1 0 334.372 2.746 20 30 EFEDRM CCc1nc2ccccc2n1N=Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000737283137 600004632 /nfs/dbraw/zinc/00/46/32/600004632.db2.gz FHTVZJWTCKEORV-UHFFFAOYSA-N -1 0 339.399 2.769 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)cc1 ZINC000739819238 600024838 /nfs/dbraw/zinc/02/48/38/600024838.db2.gz JYHRXRLWANQWFM-FLIBITNWSA-N -1 0 349.346 2.627 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320523069 600028291 /nfs/dbraw/zinc/02/82/91/600028291.db2.gz MUEXGLMGFRIULB-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000737226249 600029650 /nfs/dbraw/zinc/02/96/50/600029650.db2.gz HXZJAUSEAAEAFV-CLFYSBASSA-N -1 0 349.364 2.636 20 30 EFEDRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000737318347 600043226 /nfs/dbraw/zinc/04/32/26/600043226.db2.gz BIDZYVVACHRJGC-UHFFFAOYSA-N -1 0 326.327 2.991 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])nc1 ZINC000736092116 600060251 /nfs/dbraw/zinc/06/02/51/600060251.db2.gz BVVVZJVMCKMVHN-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738473896 600070834 /nfs/dbraw/zinc/07/08/34/600070834.db2.gz FDRXCBJJQVNYFZ-ZIAGYGMSSA-N -1 0 337.335 2.713 20 30 EFEDRM N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013083536 600081098 /nfs/dbraw/zinc/08/10/98/600081098.db2.gz YJZVVVAOLFJMHI-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000736090782 600083789 /nfs/dbraw/zinc/08/37/89/600083789.db2.gz KTKCTDCELGSPIP-UHFFFAOYSA-N -1 0 343.404 2.970 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cccc(C#N)c1 ZINC000737170728 600085753 /nfs/dbraw/zinc/08/57/53/600085753.db2.gz DTWMFICITVYCAZ-UHFFFAOYSA-N -1 0 342.351 2.528 20 30 EFEDRM N#CCOc1ccccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739092640 600115699 /nfs/dbraw/zinc/11/56/99/600115699.db2.gz RMWNFTOLQRICCW-UHFFFAOYSA-N -1 0 329.283 2.783 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)CCSCC(=O)[O-] ZINC000737179449 600125311 /nfs/dbraw/zinc/12/53/11/600125311.db2.gz KFZOXIGSQJQKKB-UHFFFAOYSA-N -1 0 343.788 2.724 20 30 EFEDRM Cc1ccc(OC(=O)[C@H](C)Oc2ccccc2C#N)c(C(=O)[O-])c1 ZINC000738636513 600133224 /nfs/dbraw/zinc/13/32/24/600133224.db2.gz OUPCUIYBUJPJBF-LBPRGKRZSA-N -1 0 325.320 2.938 20 30 EFEDRM C#CCOc1cccc(OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000736087891 600139218 /nfs/dbraw/zinc/13/92/18/600139218.db2.gz LCBBNVQJXRSBGZ-UHFFFAOYSA-N -1 0 327.336 2.603 20 30 EFEDRM CN=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1cccnc1C ZINC000737534440 600145400 /nfs/dbraw/zinc/14/54/00/600145400.db2.gz FEABFUYVONUFFB-UHFFFAOYSA-N -1 0 342.380 2.624 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNCCCc1ccccc1 ZINC000738922892 600145902 /nfs/dbraw/zinc/14/59/02/600145902.db2.gz NOLJOWYCZJDOIV-UHFFFAOYSA-N -1 0 328.416 2.531 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000737004492 600180347 /nfs/dbraw/zinc/18/03/47/600180347.db2.gz QHSGZDSCUSHEGA-UHFFFAOYSA-N -1 0 343.412 2.971 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(OC)ccn1 ZINC000736114796 600206207 /nfs/dbraw/zinc/20/62/07/600206207.db2.gz SAELMKZCKQXEPI-UHFFFAOYSA-N -1 0 343.335 2.745 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)nc1 ZINC000736092132 600211614 /nfs/dbraw/zinc/21/16/14/600211614.db2.gz CVMZGNNDAIRDHW-UHFFFAOYSA-N -1 0 332.262 2.615 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)nc1 ZINC000739102001 600211943 /nfs/dbraw/zinc/21/19/43/600211943.db2.gz MUKJPPRCUKFRFJ-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000737242211 600229098 /nfs/dbraw/zinc/22/90/98/600229098.db2.gz SAYLKKVVOOJQBX-CYBMUJFWSA-N -1 0 329.331 2.718 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000738084398 600248370 /nfs/dbraw/zinc/24/83/70/600248370.db2.gz GZOAAWSTVWGCAM-NSHDSACASA-N -1 0 341.319 2.638 20 30 EFEDRM CN(Cc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737486688 600315549 /nfs/dbraw/zinc/31/55/49/600315549.db2.gz UPKPACOVIBKFQQ-UHFFFAOYSA-N -1 0 338.367 2.719 20 30 EFEDRM N#Cc1cccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739139055 600326774 /nfs/dbraw/zinc/32/67/74/600326774.db2.gz CPRDLNCBYPDXHC-INIZCTEOSA-N -1 0 345.738 2.960 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736095084 600341246 /nfs/dbraw/zinc/34/12/46/600341246.db2.gz HQGYXRYFVDAUKM-UHFFFAOYSA-N -1 0 342.193 2.827 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(F)c1 ZINC000739118155 600351689 /nfs/dbraw/zinc/35/16/89/600351689.db2.gz NQBREHLWXGMXNT-UHFFFAOYSA-N -1 0 342.330 2.787 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000736614894 600359715 /nfs/dbraw/zinc/35/97/15/600359715.db2.gz LBFCSJIIHLXHHI-LBPRGKRZSA-N -1 0 325.320 2.881 20 30 EFEDRM Cc1ccc(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])c(F)c2)cc1 ZINC000738488422 600405445 /nfs/dbraw/zinc/40/54/45/600405445.db2.gz PRQFUJVQUQHAPY-UHFFFAOYSA-N -1 0 326.327 2.852 20 30 EFEDRM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(CC#N)CC(=O)[O-] ZINC000738830057 600408200 /nfs/dbraw/zinc/40/82/00/600408200.db2.gz UNNYEGHKOPGZNQ-UHFFFAOYSA-N -1 0 349.799 2.822 20 30 EFEDRM COc1ccc(-c2cc(C(=O)N(CC#N)CC(=O)[O-])sc2C)cc1 ZINC000737909972 600408756 /nfs/dbraw/zinc/40/87/56/600408756.db2.gz PZECMKDLJZUWAY-UHFFFAOYSA-N -1 0 344.392 2.783 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000739086744 600408828 /nfs/dbraw/zinc/40/88/28/600408828.db2.gz IKMSCVIIKGSRBW-UHFFFAOYSA-N -1 0 341.348 2.607 20 30 EFEDRM C#Cc1cccc(NC(=O)CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736091604 600426240 /nfs/dbraw/zinc/42/62/40/600426240.db2.gz ZKVKYOQAYPIPBC-KRWDZBQOSA-N -1 0 342.782 2.675 20 30 EFEDRM Cc1sc(NC(=O)CN(CC#N)C2CCCC2)c(C(=O)[O-])c1C ZINC000738399903 600438398 /nfs/dbraw/zinc/43/83/98/600438398.db2.gz ZTRNWVXUIFKQFX-UHFFFAOYSA-N -1 0 335.429 2.770 20 30 EFEDRM CC(C)N(CCC(=O)[O-])CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736465355 600444734 /nfs/dbraw/zinc/44/47/34/600444734.db2.gz AIVVVDLWPLFNEB-LBPRGKRZSA-N -1 0 345.424 2.658 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736108493 600471582 /nfs/dbraw/zinc/47/15/82/600471582.db2.gz VOFZLEZITDICJL-UHFFFAOYSA-N -1 0 344.411 2.918 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736390143 600474517 /nfs/dbraw/zinc/47/45/17/600474517.db2.gz GPTXFGNRNPRCLD-INIZCTEOSA-N -1 0 342.351 2.569 20 30 EFEDRM COC(=O)c1cc(Oc2ncc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC000737673856 600502773 /nfs/dbraw/zinc/50/27/73/600502773.db2.gz FBQGXJIYZOQGSK-UHFFFAOYSA-N -1 0 332.699 2.884 20 30 EFEDRM N#Cc1cnc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c(Cl)c1 ZINC000739142442 600503493 /nfs/dbraw/zinc/50/34/93/600503493.db2.gz LXDFIRYYADYPST-LBPRGKRZSA-N -1 0 331.759 2.668 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)nc21 ZINC000738746688 600519609 /nfs/dbraw/zinc/51/96/09/600519609.db2.gz KAFVUEIYCMWBAG-AWEZNQCLSA-N -1 0 349.346 2.825 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(OCC(=O)[O-])cc3)nc21 ZINC000738745944 600519651 /nfs/dbraw/zinc/51/96/51/600519651.db2.gz ABIDEJIYVNQQOM-CQSZACIVSA-N -1 0 349.346 2.825 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2cn3cccc(C(=O)[O-])c3n2)n1 ZINC000738845890 600519717 /nfs/dbraw/zinc/51/97/17/600519717.db2.gz YJQGLIAOWALVDA-UHFFFAOYSA-N -1 0 339.380 2.603 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000736114662 600521331 /nfs/dbraw/zinc/52/13/31/600521331.db2.gz ZXHPEMGXLZUKII-VMSUTVGLSA-N -1 0 347.411 2.889 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000736114659 600521364 /nfs/dbraw/zinc/52/13/64/600521364.db2.gz ZXHPEMGXLZUKII-SYJIQKIWSA-N -1 0 347.411 2.889 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])c2)s1 ZINC000739098980 600528878 /nfs/dbraw/zinc/52/88/78/600528878.db2.gz NGHZQZKOPUJYIW-UONOGXRCSA-N -1 0 326.377 2.624 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000736697620 600537079 /nfs/dbraw/zinc/53/70/79/600537079.db2.gz MYJUZXBTJMSKSW-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000739140400 600541326 /nfs/dbraw/zinc/54/13/26/600541326.db2.gz SRYLKKOPGICEPO-WAYWQWQTSA-N -1 0 337.291 2.817 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCCC(=O)[O-])cc2)cc1 ZINC000738434365 600551242 /nfs/dbraw/zinc/55/12/42/600551242.db2.gz CEVRHSHBDKQHTN-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000736202712 600551798 /nfs/dbraw/zinc/55/17/98/600551798.db2.gz PROKLONOXBYGFQ-SFHVURJKSA-N -1 0 330.384 2.742 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)o1 ZINC000739216537 600552535 /nfs/dbraw/zinc/55/25/35/600552535.db2.gz SZBZGYPDWQEDEE-FNORWQNLSA-N -1 0 341.363 2.835 20 30 EFEDRM CCOc1ccc(/C=N/Cc2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000737199295 600567230 /nfs/dbraw/zinc/56/72/30/600567230.db2.gz JQIASEQUDPZJML-YBFXNURJSA-N -1 0 329.352 2.873 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000736097459 600588474 /nfs/dbraw/zinc/58/84/74/600588474.db2.gz MCSBUSSVOGAZQP-UHFFFAOYSA-N -1 0 341.429 2.760 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736708570 600590359 /nfs/dbraw/zinc/59/03/59/600590359.db2.gz UMAVZFZTPBWBDK-SUMWQHHRSA-N -1 0 338.363 2.610 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(N3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739110230 600590632 /nfs/dbraw/zinc/59/06/32/600590632.db2.gz PEXRBZGRPOXZBK-SFHVURJKSA-N -1 0 335.363 2.923 20 30 EFEDRM C[C@H]1Oc2ccc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2NC1=O ZINC000736835792 600591177 /nfs/dbraw/zinc/59/11/77/600591177.db2.gz NCEMHGOVALJXRA-QLJPJBMISA-N -1 0 337.335 2.515 20 30 EFEDRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000736160878 600592087 /nfs/dbraw/zinc/59/20/87/600592087.db2.gz NFQFPTDBBDIGIE-INIZCTEOSA-N -1 0 327.315 2.894 20 30 EFEDRM C[C@@H](CSCCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000736613378 600597502 /nfs/dbraw/zinc/59/75/02/600597502.db2.gz OFDUWOMUOGRRCE-VIFPVBQESA-N -1 0 326.805 2.994 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C(=O)[O-])cc1 ZINC000739110932 600603604 /nfs/dbraw/zinc/60/36/04/600603604.db2.gz SQMJARQQVHEPLT-MYSGWJLTSA-N -1 0 341.363 2.623 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C(=O)[O-])cc1 ZINC000739110931 600603657 /nfs/dbraw/zinc/60/36/57/600603657.db2.gz SQMJARQQVHEPLT-KJFZJZGVSA-N -1 0 341.363 2.623 20 30 EFEDRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000738546372 600604058 /nfs/dbraw/zinc/60/40/58/600604058.db2.gz WHWTXNMZWHSBBL-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000739115493 600604333 /nfs/dbraw/zinc/60/43/33/600604333.db2.gz RLCYFJDBNCLLRJ-GFCCVEGCSA-N -1 0 332.293 2.511 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCOc2ccccc2)C(=O)[O-])cc1 ZINC000739108797 600604406 /nfs/dbraw/zinc/60/44/06/600604406.db2.gz GWGXJRQZXNPMCI-QGZVFWFLSA-N -1 0 325.320 2.696 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(=O)[nH]c3ccccc32)C(=O)[O-])cc1 ZINC000739114935 600604448 /nfs/dbraw/zinc/60/44/48/600604448.db2.gz LSMZAHPZKLRUQA-KRWDZBQOSA-N -1 0 348.314 2.795 20 30 EFEDRM CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737212234 600604714 /nfs/dbraw/zinc/60/47/14/600604714.db2.gz CUVXEOUEFQRBIN-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000738292438 600605957 /nfs/dbraw/zinc/60/59/57/600605957.db2.gz RVTWTKZQESKMJK-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cccc(C)c1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738688907 600605969 /nfs/dbraw/zinc/60/59/69/600605969.db2.gz MGQTYUVABJWYNS-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3cccn3)cc2)C(=O)[O-])cc1 ZINC000739114903 600606401 /nfs/dbraw/zinc/60/64/01/600606401.db2.gz LJJSBFHFJNAGRT-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2noc3ccccc23)C(=O)[O-])cc1 ZINC000739114920 600609257 /nfs/dbraw/zinc/60/92/57/600609257.db2.gz LNHSWMDQXFNORH-KRWDZBQOSA-N -1 0 336.303 2.611 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccco3)[nH]n2)C(=O)[O-])cc1 ZINC000739115016 600610437 /nfs/dbraw/zinc/61/04/37/600610437.db2.gz MVKFZTTZDFLOBL-OAHLLOKOSA-N -1 0 337.291 2.524 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)COc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000739111902 600611346 /nfs/dbraw/zinc/61/13/46/600611346.db2.gz WBLFUHLBNLLVKT-MRXNPFEDSA-N -1 0 347.273 2.584 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739116645 600613373 /nfs/dbraw/zinc/61/33/73/600613373.db2.gz BKYIDERDLINUAS-LBPRGKRZSA-N -1 0 332.293 2.511 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(N)cc2Cl)C(=O)[O-])cc1 ZINC000739114559 600614449 /nfs/dbraw/zinc/61/44/49/600614449.db2.gz IGGWIZDYIFGAHI-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM Cc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2n1 ZINC000738679967 600616847 /nfs/dbraw/zinc/61/68/47/600616847.db2.gz GKZHYFYAVSGVMQ-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3c(c2)CCCN3)C(=O)[O-])cc1 ZINC000739115492 600617223 /nfs/dbraw/zinc/61/72/23/600617223.db2.gz RJXAGWXOLFGRTH-QGZVFWFLSA-N -1 0 336.347 2.899 20 30 EFEDRM C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736781891 600617689 /nfs/dbraw/zinc/61/76/89/600617689.db2.gz SWQRZXALBHHKSV-PVUWLOKVSA-N -1 0 331.368 2.822 20 30 EFEDRM Cc1nc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000738855545 600618850 /nfs/dbraw/zinc/61/88/50/600618850.db2.gz SYLQZWHRTCDNGE-HNNXBMFYSA-N -1 0 330.365 2.625 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccncc1 ZINC000736096486 600621318 /nfs/dbraw/zinc/62/13/18/600621318.db2.gz NSBSYOIXHKBNRK-MRXNPFEDSA-N -1 0 326.352 2.592 20 30 EFEDRM CN(C(=O)CN(CCC#N)CC(C)(C)C)c1ccccc1C(=O)[O-] ZINC000737321476 600621956 /nfs/dbraw/zinc/62/19/56/600621956.db2.gz CDECAMYBIHAMBI-UHFFFAOYSA-N -1 0 331.416 2.609 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccncc1 ZINC000736096542 600637938 /nfs/dbraw/zinc/63/79/38/600637938.db2.gz PJDWVIHBNPDYSX-OAHLLOKOSA-N -1 0 346.408 2.684 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NCCOc1cccc(C#N)c1 ZINC000738475291 600676740 /nfs/dbraw/zinc/67/67/40/600676740.db2.gz WABRUESHQFUJTL-UHFFFAOYSA-N -1 0 326.352 2.821 20 30 EFEDRM COc1cc(C#N)ccc1OCCOc1ccc(C(=O)[O-])cc1OC ZINC000737844467 600686820 /nfs/dbraw/zinc/68/68/20/600686820.db2.gz LWIVZTAVGPKMIJ-UHFFFAOYSA-N -1 0 343.335 2.731 20 30 EFEDRM COC(=O)c1cc(Oc2c(C#N)nnc3ccccc32)cc(C(=O)[O-])c1 ZINC000737674195 600706332 /nfs/dbraw/zinc/70/63/32/600706332.db2.gz JAEXIXCUCWZDKM-UHFFFAOYSA-N -1 0 349.302 2.779 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CCC[C@H](C(=O)[O-])C2)c1=S ZINC000736118955 600714587 /nfs/dbraw/zinc/71/45/87/600714587.db2.gz ZKYQYNXZEDWOCU-LBPRGKRZSA-N -1 0 348.428 2.614 20 30 EFEDRM C/C(=C/Cn1cc(C#N)c(=O)c2cc(Br)ccc21)C(=O)[O-] ZINC000825793158 600728392 /nfs/dbraw/zinc/72/83/92/600728392.db2.gz NOFIEWCHUNSMHM-WTKPLQERSA-N -1 0 347.168 2.667 20 30 EFEDRM CC(C)[C@H](Sc1ccccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826722021 600729167 /nfs/dbraw/zinc/72/91/67/600729167.db2.gz DXFHBBWHYSATJD-INIZCTEOSA-N -1 0 346.452 2.998 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000825608528 600775952 /nfs/dbraw/zinc/77/59/52/600775952.db2.gz BDLQJAODFDIBJP-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832858826 600777318 /nfs/dbraw/zinc/77/73/18/600777318.db2.gz GZHGUUISHSMNOH-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000825698803 600793812 /nfs/dbraw/zinc/79/38/12/600793812.db2.gz KJBMWWAVOJFMJR-UHFFFAOYSA-N -1 0 340.378 2.779 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN3Cc4ccc(C(=O)[O-])cc4C3)o2)c1 ZINC000833074176 600828364 /nfs/dbraw/zinc/82/83/64/600828364.db2.gz QXMGOXFFWDUDJO-UHFFFAOYSA-N -1 0 346.346 2.822 20 30 EFEDRM CC(C)(C#N)CCSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC000826070538 600834576 /nfs/dbraw/zinc/83/45/76/600834576.db2.gz AAJDAKYYAYFYPM-UHFFFAOYSA-N -1 0 345.424 2.903 20 30 EFEDRM O=C([O-])c1ccc(C=NOCc2nc(Cc3ccccc3)no2)cc1 ZINC000833312512 600864974 /nfs/dbraw/zinc/86/49/74/600864974.db2.gz CXPDEJREQSCZBU-UHFFFAOYSA-N -1 0 337.335 2.909 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2sccc2C#N)c1OC ZINC000737855799 600874473 /nfs/dbraw/zinc/87/44/73/600874473.db2.gz RXAQJJALMPVQFV-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM CCCc1c(C(=O)NCc2cc(C#N)ccc2F)[nH]c(C)c1C(=O)[O-] ZINC000829555383 600898647 /nfs/dbraw/zinc/89/86/47/600898647.db2.gz CXISHPVIEXJGOM-UHFFFAOYSA-N -1 0 343.358 2.915 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825681936 600914013 /nfs/dbraw/zinc/91/40/13/600914013.db2.gz MQXSIOMYXFHRQL-IRXDYDNUSA-N -1 0 326.396 2.964 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000828586815 600952667 /nfs/dbraw/zinc/95/26/67/600952667.db2.gz KBLOMGJYZGURNK-BZUAXINKSA-N -1 0 344.411 2.875 20 30 EFEDRM N#Cc1ccc(-c2nnc(COC(=O)c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000739101976 600981202 /nfs/dbraw/zinc/98/12/02/600981202.db2.gz MFYTVJBSAXMPOK-UHFFFAOYSA-N -1 0 349.302 2.663 20 30 EFEDRM N#CCOc1ccc(Cl)cc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000833068154 601015091 /nfs/dbraw/zinc/01/50/91/601015091.db2.gz QXKPOOQGRCTNPJ-ZDUSSCGKSA-N -1 0 340.832 2.634 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827682426 601017594 /nfs/dbraw/zinc/01/75/94/601017594.db2.gz XRCWYWPTIMHWLV-LBPRGKRZSA-N -1 0 339.351 2.904 20 30 EFEDRM N#CCOc1ccccc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000739092693 601039631 /nfs/dbraw/zinc/03/96/31/601039631.db2.gz UPQVPZOBPQNXCO-UHFFFAOYSA-N -1 0 343.364 2.553 20 30 EFEDRM COc1ccc([C@@H]2NC(=O)N(CC(C)C)C(C)=C2C(=O)[O-])cc1C#N ZINC000737987659 601045204 /nfs/dbraw/zinc/04/52/04/601045204.db2.gz XLCDKJJJUSSCSX-INIZCTEOSA-N -1 0 343.383 2.648 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1C ZINC000737108910 601048507 /nfs/dbraw/zinc/04/85/07/601048507.db2.gz OROWENVWDWSMPB-UHFFFAOYSA-N -1 0 344.392 2.780 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827879460 601072622 /nfs/dbraw/zinc/07/26/22/601072622.db2.gz QVENWMHKMDNISX-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000825632069 601098417 /nfs/dbraw/zinc/09/84/17/601098417.db2.gz RRWWPGLDDLYXNL-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827896746 601100043 /nfs/dbraw/zinc/10/00/43/601100043.db2.gz ZGKDCLCTUXEPCO-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000737049769 601112479 /nfs/dbraw/zinc/11/24/79/601112479.db2.gz ICLSYHDODHWDPW-JTQLQIEISA-N -1 0 345.380 2.533 20 30 EFEDRM N#C[C@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)Cc1ccccc1 ZINC000833062962 601144689 /nfs/dbraw/zinc/14/46/89/601144689.db2.gz FYVVREGAUGYMHV-OAHLLOKOSA-N -1 0 339.347 2.689 20 30 EFEDRM N#C[C@@H](COC(=O)c1cccc(OCC(=O)[O-])c1)Cc1ccccc1 ZINC000833063885 601144743 /nfs/dbraw/zinc/14/47/43/601144743.db2.gz MUMNJDBFLMTEQH-HNNXBMFYSA-N -1 0 339.347 2.689 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1OCC#N)c1ccccc1 ZINC000826045597 601166172 /nfs/dbraw/zinc/16/61/72/601166172.db2.gz USEUTPVHLZYVBA-SUMWQHHRSA-N -1 0 338.363 2.781 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000825705546 601186306 /nfs/dbraw/zinc/18/63/06/601186306.db2.gz LSSYLFVKQRZMOA-GJZGRUSLSA-N -1 0 347.411 2.908 20 30 EFEDRM COc1cccc(C#CCOC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000832514506 601206961 /nfs/dbraw/zinc/20/69/61/601206961.db2.gz FQPQOOSOQCFIBR-UHFFFAOYSA-N -1 0 338.359 2.921 20 30 EFEDRM N#CCN(CC(=O)[O-])Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000833066487 601226826 /nfs/dbraw/zinc/22/68/26/601226826.db2.gz APOOPSZRWBSDDZ-UHFFFAOYSA-N -1 0 328.343 2.815 20 30 EFEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825681946 601230322 /nfs/dbraw/zinc/23/03/22/601230322.db2.gz NHBWRXSMALDNOO-YVMONPNESA-N -1 0 349.330 2.523 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833062968 601236872 /nfs/dbraw/zinc/23/68/72/601236872.db2.gz GANNGAJHQROLQU-MJVIPROJSA-N -1 0 348.786 2.878 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C#N)s1 ZINC000831976322 601276346 /nfs/dbraw/zinc/27/63/46/601276346.db2.gz MSPFFXVSDQMLBV-XVNBXDOJSA-N -1 0 329.333 2.945 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1cccc(C#N)c1)C(=O)[O-] ZINC000827455977 601281837 /nfs/dbraw/zinc/28/18/37/601281837.db2.gz QCZHZTONJJJTOE-HNNXBMFYSA-N -1 0 336.391 2.850 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C#N)s2)C(=O)[O-])c1 ZINC000832969847 601283928 /nfs/dbraw/zinc/28/39/28/601283928.db2.gz PMJJDCDVWDYPOG-CYBMUJFWSA-N -1 0 328.393 2.602 20 30 EFEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)s1 ZINC000833070440 601284647 /nfs/dbraw/zinc/28/46/47/601284647.db2.gz GLUNXZFHQBGOGJ-UHFFFAOYSA-N -1 0 336.319 2.625 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#N)s2)c1OC ZINC000831909196 601287267 /nfs/dbraw/zinc/28/72/67/601287267.db2.gz URNLPFPTNYVVKT-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(C(=O)NC3CC3)cc2)C(=O)[O-])c1 ZINC000833076318 601300052 /nfs/dbraw/zinc/30/00/52/601300052.db2.gz UAOPUSDZSVETNC-QGZVFWFLSA-N -1 0 335.363 2.688 20 30 EFEDRM COCCOCc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831766960 601302172 /nfs/dbraw/zinc/30/21/72/601302172.db2.gz BUIJXRRLBCJAEO-GOSISDBHSA-N -1 0 340.379 2.959 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)CSCc1ccc(C#N)cc1 ZINC000262060978 601307591 /nfs/dbraw/zinc/30/75/91/601307591.db2.gz HDKDTNOTRNRSKF-UHFFFAOYSA-N -1 0 334.441 2.941 20 30 EFEDRM CN(Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830859265 601311675 /nfs/dbraw/zinc/31/16/75/601311675.db2.gz CTXCCABNFLNSGT-MRXNPFEDSA-N -1 0 325.324 2.724 20 30 EFEDRM Cc1c(Cl)cccc1NC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000749812236 601336131 /nfs/dbraw/zinc/33/61/31/601336131.db2.gz JUUVOCCPNWEGBR-UHFFFAOYSA-N -1 0 336.804 2.995 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])cc1 ZINC000832922654 601338974 /nfs/dbraw/zinc/33/89/74/601338974.db2.gz GINGTKCPCNNUOD-HNNXBMFYSA-N -1 0 341.342 2.996 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(N3CC=CC3)cc2)C(=O)[O-])cc1 ZINC000833073316 601340551 /nfs/dbraw/zinc/34/05/51/601340551.db2.gz YZYNFFCHBUJSDN-GOSISDBHSA-N -1 0 348.358 2.917 20 30 EFEDRM CCc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830259671 601344111 /nfs/dbraw/zinc/34/41/11/601344111.db2.gz BQVNCSGPOIHXOD-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832292854 601344240 /nfs/dbraw/zinc/34/42/40/601344240.db2.gz QERCNWQRRHSSFZ-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000833075804 601344793 /nfs/dbraw/zinc/34/47/93/601344793.db2.gz FBOUEEDOVRJSEU-LBPRGKRZSA-N -1 0 332.293 2.511 20 30 EFEDRM COc1ccc(/C=C\C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832280992 601345062 /nfs/dbraw/zinc/34/50/62/601345062.db2.gz HFORNYJWANPTJK-IEODJVTJSA-N -1 0 337.331 2.949 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(=O)c3ccccc3o2)C(=O)[O-])c1 ZINC000833077632 601345473 /nfs/dbraw/zinc/34/54/73/601345473.db2.gz XUWTVWNFIZIVBO-KRWDZBQOSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(=O)c3ccccc3o2)C(=O)[O-])c1 ZINC000833077633 601345480 /nfs/dbraw/zinc/34/54/80/601345480.db2.gz XUWTVWNFIZIVBO-QGZVFWFLSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-n3cccn3)cc2)C(=O)[O-])c1 ZINC000833077641 601345596 /nfs/dbraw/zinc/34/55/96/601345596.db2.gz YAWBXBSPTYBLKY-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890691 601346308 /nfs/dbraw/zinc/34/63/08/601346308.db2.gz XLLUHLMIANPUFV-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)[O-])c1 ZINC000833075318 601347773 /nfs/dbraw/zinc/34/77/73/601347773.db2.gz KCPFJJPMADTJJP-KRWDZBQOSA-N -1 0 335.315 2.703 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(Cl)n1 ZINC000832918038 601349372 /nfs/dbraw/zinc/34/93/72/601349372.db2.gz FREYYRNEMDDBIF-CYBMUJFWSA-N -1 0 330.727 2.898 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)C(=O)[O-])c1 ZINC000833077286 601349625 /nfs/dbraw/zinc/34/96/25/601349625.db2.gz OKVJMGKKPLCBJW-HNNXBMFYSA-N -1 0 337.291 2.524 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC000833075765 601350672 /nfs/dbraw/zinc/35/06/72/601350672.db2.gz DMHQNLBCFPEJSH-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828251920 601353596 /nfs/dbraw/zinc/35/35/96/601353596.db2.gz NSWLDDWMLUDTGN-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(-n3cccn3)c2)C(=O)[O-])c1 ZINC000833077723 601354454 /nfs/dbraw/zinc/35/44/54/601354454.db2.gz ZONBHKMSBGUHQV-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832957420 601354826 /nfs/dbraw/zinc/35/48/26/601354826.db2.gz FYLKCJAHXZNWCI-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1noc(C(F)F)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020061 601355031 /nfs/dbraw/zinc/35/50/31/601355031.db2.gz SEOHLGYBQKMBPZ-LLVKDONJSA-N -1 0 336.250 2.775 20 30 EFEDRM Cc1cc(N2CC[C@](F)(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000832889021 601379841 /nfs/dbraw/zinc/37/98/41/601379841.db2.gz LQAABYAOCIGNNN-GOSISDBHSA-N -1 0 338.342 2.671 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CSc1nc(N)c(C#N)cc1C#N ZINC000830394839 601388417 /nfs/dbraw/zinc/38/84/17/601388417.db2.gz NQLHQVPSDXQYEE-UHFFFAOYSA-N -1 0 328.353 2.553 20 30 EFEDRM C/C(=C/COC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000825775422 601418896 /nfs/dbraw/zinc/41/88/96/601418896.db2.gz RGOXGRYTSWTABX-WQLSENKSSA-N -1 0 341.319 2.918 20 30 EFEDRM C/C(=C\COC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000825775423 601418997 /nfs/dbraw/zinc/41/89/97/601418997.db2.gz RGOXGRYTSWTABX-XYOKQWHBSA-N -1 0 341.319 2.918 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000833064160 601427753 /nfs/dbraw/zinc/42/77/53/601427753.db2.gz FULXVYICCQLIQE-WBVHZDCISA-N -1 0 335.363 2.692 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccc(C#N)nc3)ccc2n1C ZINC000832852530 601451021 /nfs/dbraw/zinc/45/10/21/601451021.db2.gz YFGJAQOVPBITHN-UHFFFAOYSA-N -1 0 335.319 2.671 20 30 EFEDRM Cc1cc(C(=O)OCc2cccc(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832869768 601501202 /nfs/dbraw/zinc/50/12/02/601501202.db2.gz NNHOAHMNOFCCMM-UHFFFAOYSA-N -1 0 339.347 2.996 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1C#N ZINC000832794617 601520337 /nfs/dbraw/zinc/52/03/37/601520337.db2.gz JQYYAEMYCRZVGG-CQSZACIVSA-N -1 0 345.424 2.536 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c(N)c(F)ccc2Cl)C(=O)[O-])cc1 ZINC000833072205 601567543 /nfs/dbraw/zinc/56/75/43/601567543.db2.gz LMCXHMUQFXLBAZ-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(CC(=O)[O-])C1CC1 ZINC000827219071 601579753 /nfs/dbraw/zinc/57/97/53/601579753.db2.gz WKHDXFZJJDWSPI-GFCCVEGCSA-N -1 0 347.440 2.568 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000831837375 601608985 /nfs/dbraw/zinc/60/89/85/601608985.db2.gz YGDDYTMNVPUNDM-DYVFJYSZSA-N -1 0 340.379 2.859 20 30 EFEDRM O=C([O-])c1ccc(CON=Cc2ccc(-n3cncn3)cc2)cc1F ZINC000833314751 601631441 /nfs/dbraw/zinc/63/14/41/601631441.db2.gz KYNGHIZHNCIOOH-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C1CCCC1 ZINC000825614372 601664037 /nfs/dbraw/zinc/66/40/37/601664037.db2.gz MOGWQOWAZUZABG-UHFFFAOYSA-N -1 0 346.452 2.751 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000833068531 601670006 /nfs/dbraw/zinc/67/00/06/601670006.db2.gz ANPOIDZXAUXELG-SWHYSGLUSA-N -1 0 334.322 2.694 20 30 EFEDRM CN(CCCC(=O)OCc1ccc(C#N)cc1OC(F)F)C(=O)[O-] ZINC000830768413 601680382 /nfs/dbraw/zinc/68/03/82/601680382.db2.gz SSNZAGCAESBNFK-UHFFFAOYSA-N -1 0 342.298 2.593 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000825659871 601690103 /nfs/dbraw/zinc/69/01/03/601690103.db2.gz JRZIBXGXQJPOQQ-GFCCVEGCSA-N -1 0 341.411 2.811 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000832863472 601703993 /nfs/dbraw/zinc/70/39/93/601703993.db2.gz JLQIUEPRMRKBQS-KRWDZBQOSA-N -1 0 337.379 2.559 20 30 EFEDRM C[C@@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828394795 601716197 /nfs/dbraw/zinc/71/61/97/601716197.db2.gz SSRMAEFCJVGATM-DNVCBOLYSA-N -1 0 333.387 2.879 20 30 EFEDRM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000738203642 601745406 /nfs/dbraw/zinc/74/54/06/601745406.db2.gz ZYROXXBLHKGLDE-UHFFFAOYSA-N -1 0 337.379 2.655 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000827038529 601785099 /nfs/dbraw/zinc/78/50/99/601785099.db2.gz QAQSHFMZABYVCU-YPMHNXCESA-N -1 0 331.372 2.530 20 30 EFEDRM Cc1ccccc1N=C1NC(=O)/C(=C/c2c[nH]c(C(=O)[O-])c2)S1 ZINC000832978392 601789599 /nfs/dbraw/zinc/78/95/99/601789599.db2.gz CTNZHIVTODZMEY-QPEQYQDCSA-N -1 0 327.365 2.913 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)c[nH]1 ZINC000833092459 601792145 /nfs/dbraw/zinc/79/21/45/601792145.db2.gz FSWVQIHLPLNOEM-RJRFIUFISA-N -1 0 344.342 2.585 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)c[nH]1 ZINC000833092458 601792189 /nfs/dbraw/zinc/79/21/89/601792189.db2.gz FSWVQIHLPLNOEM-DAFODLJHSA-N -1 0 344.342 2.585 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1 ZINC000829852564 601792752 /nfs/dbraw/zinc/79/27/52/601792752.db2.gz FYMJJVUOULEOCD-VOTSOKGWSA-N -1 0 343.335 2.551 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1 ZINC000831783081 601792767 /nfs/dbraw/zinc/79/27/67/601792767.db2.gz CZQNTLVXGSUEON-AATRIKPKSA-N -1 0 333.315 2.773 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000827928999 601829269 /nfs/dbraw/zinc/82/92/69/601829269.db2.gz TWTCOQTXEAFAHJ-ZBFHGGJFSA-N -1 0 339.395 2.921 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833065177 601829687 /nfs/dbraw/zinc/82/96/87/601829687.db2.gz UOYSPDZOAAZTOI-INIZCTEOSA-N -1 0 341.436 2.829 20 30 EFEDRM N#CCCN(C(=O)CN1CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000821320052 601869094 /nfs/dbraw/zinc/86/90/94/601869094.db2.gz HOUVUIMGCBDYRX-OAHLLOKOSA-N -1 0 349.818 2.526 20 30 EFEDRM N#Cc1ccc(OCC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000833072490 601871162 /nfs/dbraw/zinc/87/11/62/601871162.db2.gz ZZBGWBURZHUFCN-UHFFFAOYSA-N -1 0 343.360 2.719 20 30 EFEDRM C[C@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000828127417 601896437 /nfs/dbraw/zinc/89/64/37/601896437.db2.gz DDYUOTQJIRTWFI-UYAOXDASSA-N -1 0 336.391 2.932 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000831977931 601959669 /nfs/dbraw/zinc/95/96/69/601959669.db2.gz VUJKXIIRYVJLHW-MEMKZHQFSA-N -1 0 339.347 2.777 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000833062525 601998696 /nfs/dbraw/zinc/99/86/96/601998696.db2.gz MVSDOXKDKWTJOM-UHFFFAOYSA-N -1 0 344.348 2.655 20 30 EFEDRM CN(C(=O)C(F)(F)C(F)F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830458694 602000530 /nfs/dbraw/zinc/00/05/30/602000530.db2.gz YBWWWNIXUQTKAP-MRVPVSSYSA-N -1 0 347.186 2.588 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000830059570 602035912 /nfs/dbraw/zinc/03/59/12/602035912.db2.gz GLRMHFCMWDRUID-UHFFFAOYSA-N -1 0 339.351 2.977 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794865617 602068230 /nfs/dbraw/zinc/06/82/30/602068230.db2.gz RNFJZHQHIHJOGH-NSHDSACASA-N -1 0 348.428 2.644 20 30 EFEDRM C[C@@H](Oc1ccc(C=Nn2cnnc2-c2ccccc2)cc1)C(=O)[O-] ZINC000794887794 602071159 /nfs/dbraw/zinc/07/11/59/602071159.db2.gz CYRHEELGSSIGAK-CYBMUJFWSA-N -1 0 336.351 2.679 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)o1 ZINC000794898744 602074152 /nfs/dbraw/zinc/07/41/52/602074152.db2.gz BADRDALPZYAXIV-LLVKDONJSA-N -1 0 342.355 2.968 20 30 EFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000831950008 602094866 /nfs/dbraw/zinc/09/48/66/602094866.db2.gz KUIYYCKSMMQYMP-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1)C(=O)[O-] ZINC000794702414 602112198 /nfs/dbraw/zinc/11/21/98/602112198.db2.gz QDJRHYQXDAICLK-SOZJPDODSA-N -1 0 328.320 2.846 20 30 EFEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1)C(=O)[O-] ZINC000794702416 602112222 /nfs/dbraw/zinc/11/22/22/602112222.db2.gz QDJRHYQXDAICLK-VUQUXZKVSA-N -1 0 328.320 2.846 20 30 EFEDRM C#CCCCCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000825605867 602147229 /nfs/dbraw/zinc/14/72/29/602147229.db2.gz VMLZPWXBIIWBAX-UHFFFAOYSA-N -1 0 345.786 2.800 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000817847454 602150173 /nfs/dbraw/zinc/15/01/73/602150173.db2.gz WMOWRGSIFPZPCR-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2ncnc3ccsc32)cc1)C(=O)[O-] ZINC000794919907 602184998 /nfs/dbraw/zinc/18/49/98/602184998.db2.gz ADBOPJPVXXYDCO-SNVBAGLBSA-N -1 0 342.380 2.989 20 30 EFEDRM N#Cc1ccccc1COc1cccc(C(=O)OCCNC(=O)[O-])c1 ZINC000739147465 602214448 /nfs/dbraw/zinc/21/44/48/602214448.db2.gz VWJIEJJIONFRLJ-UHFFFAOYSA-N -1 0 340.335 2.562 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)nc1 ZINC000825636257 602259898 /nfs/dbraw/zinc/25/98/98/602259898.db2.gz FWOZVNTYEQPJNU-UHFFFAOYSA-N -1 0 346.342 2.932 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000827332963 602276875 /nfs/dbraw/zinc/27/68/75/602276875.db2.gz GDANUTARSLPANG-YUSFRKCESA-N -1 0 345.395 2.521 20 30 EFEDRM C=CCNc1ncc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000825692097 602285584 /nfs/dbraw/zinc/28/55/84/602285584.db2.gz HVPUAGFNVGTKIK-UHFFFAOYSA-N -1 0 335.385 2.613 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1 ZINC000831331255 602287711 /nfs/dbraw/zinc/28/77/11/602287711.db2.gz FIDCPPFIJHGSJV-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM O=C([O-])c1cc(NC(=O)C#Cc2ccc3c(c2)OCO3)ccc1Cl ZINC000833092151 602295751 /nfs/dbraw/zinc/29/57/51/602295751.db2.gz QIMKCVHTCQWCPQ-UHFFFAOYSA-N -1 0 343.722 2.757 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832910597 602319387 /nfs/dbraw/zinc/31/93/87/602319387.db2.gz USFWPYIWAOSICW-TWGQIWQCSA-N -1 0 343.360 2.732 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832910676 602319559 /nfs/dbraw/zinc/31/95/59/602319559.db2.gz ZSCLFIHXOXRWEO-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cncc(F)c1 ZINC000825705557 602322794 /nfs/dbraw/zinc/32/27/94/602322794.db2.gz MDEVRTACNHDPKA-UHFFFAOYSA-N -1 0 331.299 2.875 20 30 EFEDRM Cc1nc2sccn2c1CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833006814 602325345 /nfs/dbraw/zinc/32/53/45/602325345.db2.gz HROBHINIBLDIHB-HNNXBMFYSA-N -1 0 340.408 2.834 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833068103 602355056 /nfs/dbraw/zinc/35/50/56/602355056.db2.gz POXKHGRKROGVBC-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM C=C(C)COCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000825647224 602361706 /nfs/dbraw/zinc/36/17/06/602361706.db2.gz HFAYRCKFELPUDS-UHFFFAOYSA-N -1 0 347.415 2.699 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)CCNC(=O)[O-])c2)cc1 ZINC000738434517 602475486 /nfs/dbraw/zinc/47/54/86/602475486.db2.gz ITBCHSOSGGSIKX-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM N#Cc1cccc(OCc2cccc(C(=O)OCCNC(=O)[O-])c2)c1 ZINC000739139093 602866084 /nfs/dbraw/zinc/86/60/84/602866084.db2.gz DGAODGPGXKPXEY-UHFFFAOYSA-N -1 0 340.335 2.562 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736486390 603285052 /nfs/dbraw/zinc/28/50/52/603285052.db2.gz SGTPXCSPXXYXPO-ZDUSSCGKSA-N -1 0 346.387 2.609 20 30 EFEDRM N#Cc1ccccc1OCc1cccc(C(=O)OCCNC(=O)[O-])c1 ZINC000739143220 603320046 /nfs/dbraw/zinc/32/00/46/603320046.db2.gz ZABYCBOTKKKWAQ-UHFFFAOYSA-N -1 0 340.335 2.562 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000828613697 603565617 /nfs/dbraw/zinc/56/56/17/603565617.db2.gz XHIZLEZNPZTEGI-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM CN(CCCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000828279250 603767624 /nfs/dbraw/zinc/76/76/24/603767624.db2.gz VIRVLVHJBHEBJH-UHFFFAOYSA-N -1 0 342.317 2.563 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739117771 604157546 /nfs/dbraw/zinc/15/75/46/604157546.db2.gz ISQFGWPMRZHKOV-UHFFFAOYSA-N -1 0 338.367 2.690 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833067743 604340651 /nfs/dbraw/zinc/34/06/51/604340651.db2.gz IFQWAXUDUSKCFP-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM C=C(Cl)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825647428 604358049 /nfs/dbraw/zinc/35/80/49/604358049.db2.gz NDMOAUAZMBMZGZ-AWEZNQCLSA-N -1 0 329.227 2.836 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2cccc(C#N)c2C)c1C(=O)[O-] ZINC000832972994 604399439 /nfs/dbraw/zinc/39/94/39/604399439.db2.gz SLXKUZWTYCBGOX-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2ccc(F)cc2C(=O)[O-])s1 ZINC000825692565 604432829 /nfs/dbraw/zinc/43/28/29/604432829.db2.gz YFHIIDRZWWUIFA-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cnc(NC3CC3)s2)C(=O)[O-])cc1 ZINC000833072548 604433832 /nfs/dbraw/zinc/43/38/32/604433832.db2.gz NYVMCUVSUIAJIQ-ZDUSSCGKSA-N -1 0 343.364 2.572 20 30 EFEDRM N#Cc1ccnc(NCCc2ccc(NC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000831156551 604444900 /nfs/dbraw/zinc/44/49/00/604444900.db2.gz BVTVYQMQLRQQDB-UHFFFAOYSA-N -1 0 327.300 2.606 20 30 EFEDRM CN(CC(=O)Nc1ccccc1SCC#N)C1(C(=O)[O-])CCCC1 ZINC000830683787 604462257 /nfs/dbraw/zinc/46/22/57/604462257.db2.gz IVMQGWUIUNQEDO-UHFFFAOYSA-N -1 0 347.440 2.570 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000833073501 604488512 /nfs/dbraw/zinc/48/85/12/604488512.db2.gz COMKIVQUGPKHGC-QGZVFWFLSA-N -1 0 332.363 2.660 20 30 EFEDRM C=C(Cl)CNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833371189 604491048 /nfs/dbraw/zinc/49/10/48/604491048.db2.gz YSZKZOMIMJYJTQ-UHFFFAOYSA-N -1 0 334.763 2.753 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000825664477 604509613 /nfs/dbraw/zinc/50/96/13/604509613.db2.gz ARQUXKZMRFYDOE-HNNXBMFYSA-N -1 0 348.424 2.709 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)c1ccccc1 ZINC000825664724 604510032 /nfs/dbraw/zinc/51/00/32/604510032.db2.gz JRXSELFZVICSQA-OAHLLOKOSA-N -1 0 337.441 2.868 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000833468860 604515189 /nfs/dbraw/zinc/51/51/89/604515189.db2.gz RMIOJUUALNYOAU-ZYHUDNBSSA-N -1 0 344.198 2.966 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000828587989 604519499 /nfs/dbraw/zinc/51/94/99/604519499.db2.gz YTKVGHOGHLIXFR-HUUCEWRRSA-N -1 0 345.399 2.516 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000833508996 604519898 /nfs/dbraw/zinc/51/98/98/604519898.db2.gz ZQYGSBYOTDVYCY-RYUDHWBXSA-N -1 0 344.198 2.966 20 30 EFEDRM C#CCN(CC#CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000825608923 604535783 /nfs/dbraw/zinc/53/57/83/604535783.db2.gz NZKJWHDNEJFTPS-INIZCTEOSA-N -1 0 326.396 2.507 20 30 EFEDRM CC(=O)Nc1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1F ZINC000833398975 604537137 /nfs/dbraw/zinc/53/71/37/604537137.db2.gz ZJWCPKWFFAUPNR-UHFFFAOYSA-N -1 0 327.315 2.966 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832081096 604544224 /nfs/dbraw/zinc/54/42/24/604544224.db2.gz ZAJVEBQYGWWAOH-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM C#CCOCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833364471 604550047 /nfs/dbraw/zinc/55/00/47/604550047.db2.gz RWHSJSMGUIRJPE-CQSZACIVSA-N -1 0 344.194 2.617 20 30 EFEDRM C[C@H]1CCc2c(sc(NC(=O)Cn3ccc(C#N)c3)c2C(=O)[O-])C1 ZINC000833616944 604550785 /nfs/dbraw/zinc/55/07/85/604550785.db2.gz KSJLDFCDFSVVOY-JTQLQIEISA-N -1 0 343.408 2.883 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)OCC ZINC000833367817 604552669 /nfs/dbraw/zinc/55/26/69/604552669.db2.gz WGDLGHJZRFPTQE-UKRRQHHQSA-N -1 0 327.327 2.578 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cn1 ZINC000833367991 604572928 /nfs/dbraw/zinc/57/29/28/604572928.db2.gz CSYJNNZKUMIBJX-UHFFFAOYSA-N -1 0 326.377 2.882 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1C#N ZINC000827058668 604588234 /nfs/dbraw/zinc/58/82/34/604588234.db2.gz QPKMOKVZXPSIPQ-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1C#N ZINC000827058547 604588361 /nfs/dbraw/zinc/58/83/61/604588361.db2.gz JFBHYWYHZJKXCC-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM C#CCOCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833364297 604589520 /nfs/dbraw/zinc/58/95/20/604589520.db2.gz NTJKFQQIRSMWLP-ZDUSSCGKSA-N -1 0 331.151 2.702 20 30 EFEDRM C#CCOCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000833366168 604606735 /nfs/dbraw/zinc/60/67/35/604606735.db2.gz JQRBIGLFQNEPLA-UHFFFAOYSA-N -1 0 341.363 2.928 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1occc1C(=O)[O-] ZINC000826641421 604616261 /nfs/dbraw/zinc/61/62/61/604616261.db2.gz BHVWCFOZXIAYMD-UHFFFAOYSA-N -1 0 329.308 2.750 20 30 EFEDRM Cc1nc(C2(NCc3cccc(C(=O)[O-])c3C#N)CCCCC2)no1 ZINC000833755639 604616509 /nfs/dbraw/zinc/61/65/09/604616509.db2.gz VSOVHZCGWGYEIM-UHFFFAOYSA-N -1 0 340.383 2.897 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccccc1 ZINC000825665160 604629558 /nfs/dbraw/zinc/62/95/58/604629558.db2.gz WJFCXOMQUJYKKO-AWEZNQCLSA-N -1 0 328.372 2.797 20 30 EFEDRM CC(N=Nc1ccc(-n2cccn2)nn1)[C@H](C)CCCCC(=O)[O-] ZINC000814806502 604637981 /nfs/dbraw/zinc/63/79/81/604637981.db2.gz DFGDFFLPOBEZRK-GFCCVEGCSA-N -1 0 330.392 2.731 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccc(F)cc1)[C@H](C)CCCCC(=O)[O-] ZINC000814875451 604641933 /nfs/dbraw/zinc/64/19/33/604641933.db2.gz IZIAGWDDWKOBSN-LLVKDONJSA-N -1 0 344.408 2.761 20 30 EFEDRM C=CCCOCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833374732 604654381 /nfs/dbraw/zinc/65/43/81/604654381.db2.gz AHEOUFHTEKGWAS-UHFFFAOYSA-N -1 0 347.415 2.699 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000833066460 604658857 /nfs/dbraw/zinc/65/88/57/604658857.db2.gz ZKLOTJQYAYASGM-UHFFFAOYSA-N -1 0 349.390 2.821 20 30 EFEDRM Cc1cc([C@@H](C)Sc2nc(N)c(C#N)cc2C#N)oc1C(=O)[O-] ZINC000832875614 604708727 /nfs/dbraw/zinc/70/87/27/604708727.db2.gz UUFGKJVCWRSNNH-MRVPVSSYSA-N -1 0 328.353 2.860 20 30 EFEDRM COC1CCC(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833718808 604717239 /nfs/dbraw/zinc/71/72/39/604717239.db2.gz GFWNFFSJOBJLGR-QOJXUVEWSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000833375684 604837636 /nfs/dbraw/zinc/83/76/36/604837636.db2.gz INDUQHCNHDPIAF-UHFFFAOYSA-N -1 0 343.408 2.638 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181900077 604869177 /nfs/dbraw/zinc/86/91/77/604869177.db2.gz RCONNFSCHSSZCE-RNCFNFMXSA-N -1 0 329.755 2.702 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833038816 604879636 /nfs/dbraw/zinc/87/96/36/604879636.db2.gz PQBLRDQAMKNCQS-LBPRGKRZSA-N -1 0 337.310 2.901 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000831836447 604880806 /nfs/dbraw/zinc/88/08/06/604880806.db2.gz GMLLNMJJASJFAT-INIZCTEOSA-N -1 0 326.352 2.613 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000833419085 604883211 /nfs/dbraw/zinc/88/32/11/604883211.db2.gz YQEDLWQVSOPLHA-LLVKDONJSA-N -1 0 336.338 2.799 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000833416357 604894253 /nfs/dbraw/zinc/89/42/53/604894253.db2.gz XTCMFSDFVSAZPI-MRXNPFEDSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000833554514 604902566 /nfs/dbraw/zinc/90/25/66/604902566.db2.gz WCIIHYUEPIVCSK-CQSZACIVSA-N -1 0 327.167 2.802 20 30 EFEDRM C=C(Cl)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825647344 604961330 /nfs/dbraw/zinc/96/13/30/604961330.db2.gz LGTVRGZABBUEIF-CQSZACIVSA-N -1 0 329.227 2.836 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000833678951 604974162 /nfs/dbraw/zinc/97/41/62/604974162.db2.gz SIRDWMXAGVMYGV-SFHVURJKSA-N -1 0 340.379 2.985 20 30 EFEDRM C[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1cccc(C#N)c1 ZINC000827682517 604993538 /nfs/dbraw/zinc/99/35/38/604993538.db2.gz ZRZKQIBDAHAPSG-JTQLQIEISA-N -1 0 344.396 2.915 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000833761006 605013624 /nfs/dbraw/zinc/01/36/24/605013624.db2.gz LGQJYDOBNZVKHJ-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833683556 605052541 /nfs/dbraw/zinc/05/25/41/605052541.db2.gz IWOILBSAZMRHAY-UHFFFAOYSA-N -1 0 348.362 2.807 20 30 EFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000833367495 605054753 /nfs/dbraw/zinc/05/47/53/605054753.db2.gz YOYQMWVNGLOPSQ-UKRRQHHQSA-N -1 0 333.384 2.985 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833378223 605077259 /nfs/dbraw/zinc/07/72/59/605077259.db2.gz BCZFOEZCLMVCCW-UHFFFAOYSA-N -1 0 331.299 2.841 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833373515 605084146 /nfs/dbraw/zinc/08/41/46/605084146.db2.gz RCGXYEJZFDBEQZ-LBPRGKRZSA-N -1 0 333.388 2.600 20 30 EFEDRM C[C@H]1CC(=NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)NO1 ZINC000833600546 605087587 /nfs/dbraw/zinc/08/75/87/605087587.db2.gz LSEVSEDKAYIUOF-LURJTMIESA-N -1 0 331.250 2.647 20 30 EFEDRM Cc1sc2ncnc(N=NCc3cccn3CC(=O)[O-])c2c1C ZINC000833758951 605097685 /nfs/dbraw/zinc/09/76/85/605097685.db2.gz DXJITRAVBOVVDO-UHFFFAOYSA-N -1 0 329.385 2.640 20 30 EFEDRM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727253955 605097770 /nfs/dbraw/zinc/09/77/70/605097770.db2.gz ONLBQRDWEBZOKP-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818624061 605102774 /nfs/dbraw/zinc/10/27/74/605102774.db2.gz QAQKOIHORFXKEC-UHFFFAOYSA-N -1 0 336.363 2.850 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000833613919 605150936 /nfs/dbraw/zinc/15/09/36/605150936.db2.gz WPBZETNMBKUAFC-SWLSCSKDSA-N -1 0 349.456 2.527 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833378533 605154130 /nfs/dbraw/zinc/15/41/30/605154130.db2.gz JBRWQUSBYCJZAD-UHFFFAOYSA-N -1 0 345.380 2.931 20 30 EFEDRM CN1C(=O)C(=NNc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC000833698165 605157575 /nfs/dbraw/zinc/15/75/75/605157575.db2.gz QGHJICPVICETJT-UHFFFAOYSA-N -1 0 329.743 2.831 20 30 EFEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1)C(=O)[O-] ZINC000833539359 605165997 /nfs/dbraw/zinc/16/59/97/605165997.db2.gz YZNGZDGNVODZCD-ZPMKCOPCSA-N -1 0 328.320 2.846 20 30 EFEDRM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833490278 605184866 /nfs/dbraw/zinc/18/48/66/605184866.db2.gz ZECRNEWGAHPITM-UHFFFAOYSA-N -1 0 348.380 2.701 20 30 EFEDRM C#CCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC000833366594 605195231 /nfs/dbraw/zinc/19/52/31/605195231.db2.gz FFABWWPWNDEOCW-QGZVFWFLSA-N -1 0 339.347 2.723 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccccc2CC#N)C1 ZINC000833415736 605233400 /nfs/dbraw/zinc/23/34/00/605233400.db2.gz UNPWGVYVIUZDAN-MRXNPFEDSA-N -1 0 328.412 2.645 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cn1 ZINC000833367951 605302750 /nfs/dbraw/zinc/30/27/50/605302750.db2.gz CCTHVDLIGSMOHU-SFHVURJKSA-N -1 0 330.343 2.772 20 30 EFEDRM CC(N=Nc1nncc2ccccc21)c1ccccc1OCC(=O)[O-] ZINC000833386953 605323141 /nfs/dbraw/zinc/32/31/41/605323141.db2.gz DVOSTCYPAODWDE-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1ccccc1OCC(=O)[O-] ZINC000833386485 605323656 /nfs/dbraw/zinc/32/36/56/605323656.db2.gz JJRPRRHIQNEHHQ-UHFFFAOYSA-N -1 0 349.456 2.671 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NC(C)c2ccccc2OCC(=O)[O-])o1 ZINC000833387254 605326339 /nfs/dbraw/zinc/32/63/39/605326339.db2.gz YGBGDROKSAXGCA-UHFFFAOYSA-N -1 0 342.355 2.969 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2cc(-n3ccnc3)cs2)C(C(=O)[O-])=C1C ZINC000833377503 605338952 /nfs/dbraw/zinc/33/89/52/605338952.db2.gz ZKFGEGOTLGWKLG-AWEZNQCLSA-N -1 0 344.396 2.545 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000833368275 605398905 /nfs/dbraw/zinc/39/89/05/605398905.db2.gz FVMPUXPHSIFMRR-UHFFFAOYSA-N -1 0 326.374 2.581 20 30 EFEDRM C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833368704 605399379 /nfs/dbraw/zinc/39/93/79/605399379.db2.gz QIIAUTSOSLXNAH-UHFFFAOYSA-N -1 0 328.372 2.919 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000833374426 605446212 /nfs/dbraw/zinc/44/62/12/605446212.db2.gz ISQTXSXPALHFBZ-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833433551 605573795 /nfs/dbraw/zinc/57/37/95/605573795.db2.gz XNHILMVETWHZNM-QGZVFWFLSA-N -1 0 332.356 2.585 20 30 EFEDRM COc1cc(OC)c(OC)cc1C=NNc1cccc(C(=O)[O-])c1 ZINC000833729501 605594954 /nfs/dbraw/zinc/59/49/54/605594954.db2.gz VKPYEFLBMSUZNU-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833432478 605600567 /nfs/dbraw/zinc/60/05/67/605600567.db2.gz NMEKRZVUROMIAS-QGZVFWFLSA-N -1 0 347.371 2.977 20 30 EFEDRM N#Cc1cc(N[C@H]2CCCN(C(=O)[O-])C2)nc2ccc([N+](=O)[O-])cc12 ZINC000831118411 605625542 /nfs/dbraw/zinc/62/55/42/605625542.db2.gz XYKSERSBIVAZKV-NSHDSACASA-N -1 0 341.327 2.569 20 30 EFEDRM C=CCOCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833375938 605632550 /nfs/dbraw/zinc/63/25/50/605632550.db2.gz OSCCYLWDBAKZIE-UHFFFAOYSA-N -1 0 332.278 2.728 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000833432156 605667913 /nfs/dbraw/zinc/66/79/13/605667913.db2.gz JCFWRRPBQCJONA-GOSISDBHSA-N -1 0 347.367 2.690 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C(=O)[O-])ccc2F)c1 ZINC000833368178 605829033 /nfs/dbraw/zinc/82/90/33/605829033.db2.gz IPMALYOIRUZFPQ-UHFFFAOYSA-N -1 0 340.354 2.576 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833466304 605842687 /nfs/dbraw/zinc/84/26/87/605842687.db2.gz DESQSOSXBQGJOQ-MRXNPFEDSA-N -1 0 335.835 2.704 20 30 EFEDRM N#CC(=C([O-])c1cc(-c2nn[nH]n2)cs1)c1nc2ccccc2o1 ZINC000822801783 606463135 /nfs/dbraw/zinc/46/31/35/606463135.db2.gz ONFMSTRRUCAJJH-SECBINFHSA-N -1 0 336.336 2.559 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(-c3nn[nH]n3)cs2)n1 ZINC000820196796 606468397 /nfs/dbraw/zinc/46/83/97/606468397.db2.gz CQVXVVXGECRFRO-VIFPVBQESA-N -1 0 344.425 2.998 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822923290 606625217 /nfs/dbraw/zinc/62/52/17/606625217.db2.gz POASLLWPRUCTIS-BHQIHCQQSA-N -1 0 328.278 2.747 20 30 EFEDRM COc1ccsc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000821911007 606989396 /nfs/dbraw/zinc/98/93/96/606989396.db2.gz LDRGTRUBRYASHS-UHFFFAOYSA-N -1 0 347.404 2.668 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2ccccc2-c2nn[nH]n2)cs1 ZINC000826402290 607884732 /nfs/dbraw/zinc/88/47/32/607884732.db2.gz QIHUZNNJFCLSFD-AATRIKPKSA-N -1 0 326.337 2.523 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cc(F)cc(F)c1[O-] ZINC000826400699 608880804 /nfs/dbraw/zinc/88/08/04/608880804.db2.gz FMCJWUVBIFBVOA-RQOWECAXSA-N -1 0 346.268 2.886 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826399889 609134316 /nfs/dbraw/zinc/13/43/16/609134316.db2.gz JCHMJMOGNXVZJX-DAFODLJHSA-N -1 0 346.268 2.886 20 30 EFEDRM O=C([O-])c1ccc(C=NNc2cccc(-c3nn[nH]n3)c2)c(Cl)c1 ZINC000826462414 609467488 /nfs/dbraw/zinc/46/74/88/609467488.db2.gz XJVPKESEWNPQGH-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM Cc1c(F)c(Br)ccc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000850761241 1250598937 /nfs/dbraw/zinc/59/89/37/1250598937.db2.gz JDVVWKWMLYRNOE-SNVBAGLBSA-N -1 0 341.180 2.744 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)C1[C@H]3CCCCCC[C@H]13)cc2=O ZINC000850307554 1250415962 /nfs/dbraw/zinc/41/59/62/1250415962.db2.gz YUFSZIIFGSWCRO-KBPBESRZSA-N -1 0 340.383 2.566 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)C(=O)[N-]OCC2CCC2)cc1C#N ZINC000850719859 1250577739 /nfs/dbraw/zinc/57/77/39/1250577739.db2.gz SCDMVOYUTMTJIF-UHFFFAOYSA-N -1 0 345.399 2.522 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)CCCCC1 ZINC000850736485 1250585662 /nfs/dbraw/zinc/58/56/62/1250585662.db2.gz IFQIGYNQTIIBHJ-FMIVXFBMSA-N -1 0 332.425 2.967 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)CCCCC1 ZINC000850736487 1250585865 /nfs/dbraw/zinc/58/58/65/1250585865.db2.gz IFQIGYNQTIIBHJ-XFXZXTDPSA-N -1 0 332.425 2.967 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000850738448 1250587846 /nfs/dbraw/zinc/58/78/46/1250587846.db2.gz BYRRDOPICVSQNM-UHFFFAOYSA-N -1 0 342.367 2.634 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2cc(Cl)ccc2s1 ZINC000850757238 1250596427 /nfs/dbraw/zinc/59/64/27/1250596427.db2.gz ICIIAVOBAQLYHA-LLVKDONJSA-N -1 0 336.800 2.640 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)cc(C)c1C ZINC000850759666 1250598026 /nfs/dbraw/zinc/59/80/26/1250598026.db2.gz LWUHXBQNAYYERW-ZDUSSCGKSA-N -1 0 335.201 2.691 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(N(C)C)cc(C(F)(F)F)c1 ZINC000850760840 1250599689 /nfs/dbraw/zinc/59/96/89/1250599689.db2.gz DGLRZWGTFNHDOT-CYBMUJFWSA-N -1 0 341.333 2.618 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1C(F)(F)F ZINC000850761426 1250600185 /nfs/dbraw/zinc/60/01/85/1250600185.db2.gz MGQDFUDKRDWVPB-SNVBAGLBSA-N -1 0 328.290 2.561 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OC(C)C ZINC000850762576 1250601656 /nfs/dbraw/zinc/60/16/56/1250601656.db2.gz ZFRHDZMKKPTKKY-HNNXBMFYSA-N -1 0 330.384 2.523 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000850930896 1250696263 /nfs/dbraw/zinc/69/62/63/1250696263.db2.gz ZNHNLYUIFBBPNB-HOTGVXAUSA-N -1 0 348.468 2.641 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(F)F)c1ccccc1 ZINC000850978053 1250723915 /nfs/dbraw/zinc/72/39/15/1250723915.db2.gz KPYWGPRULFSQDS-OLZOCXBDSA-N -1 0 346.337 2.868 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000850977550 1250724076 /nfs/dbraw/zinc/72/40/76/1250724076.db2.gz YNSMRJPIAIDUIG-AWEZNQCLSA-N -1 0 344.802 2.585 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000850977696 1250724513 /nfs/dbraw/zinc/72/45/13/1250724513.db2.gz BWZVHTOBDGQAAA-HOTGVXAUSA-N -1 0 338.411 2.883 20 30 EFEDRM CCCn1nccc1C([O-])=C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC000850977698 1250725015 /nfs/dbraw/zinc/72/50/15/1250725015.db2.gz BWZVHTOBDGQAAA-JKSUJKDBSA-N -1 0 338.411 2.883 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccc(Cl)cc1 ZINC000851016523 1250747460 /nfs/dbraw/zinc/74/74/60/1250747460.db2.gz WMXJECPYFFMPHQ-CYBMUJFWSA-N -1 0 328.821 2.583 20 30 EFEDRM C=CCOCC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175978 1250843416 /nfs/dbraw/zinc/84/34/16/1250843416.db2.gz MAMBNISXVVXJAQ-OLZOCXBDSA-N -1 0 343.301 2.597 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)CC2CCCCC2)c1 ZINC000851192820 1250851450 /nfs/dbraw/zinc/85/14/50/1250851450.db2.gz SGSCNEGNVJPQBU-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCc1ccccc1F ZINC000851325504 1250926029 /nfs/dbraw/zinc/92/60/29/1250926029.db2.gz WGSOPFLQJRSAOH-UHFFFAOYSA-N -1 0 325.405 2.583 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841543149 1251434944 /nfs/dbraw/zinc/43/49/44/1251434944.db2.gz XQVXJEBPPUWRTF-UHFFFAOYSA-N -1 0 349.771 2.605 20 30 EFEDRM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000179985088 1252269559 /nfs/dbraw/zinc/26/95/59/1252269559.db2.gz OEAHAVSAGAXDTK-KRWDZBQOSA-N -1 0 327.428 2.914 20 30 EFEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)N1CCCC1=O ZINC000073288884 1253970592 /nfs/dbraw/zinc/97/05/92/1253970592.db2.gz XRMCBEVFVKOEES-OAHLLOKOSA-N -1 0 344.477 2.500 20 30 EFEDRM COCCCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000131585488 1259791332 /nfs/dbraw/zinc/79/13/32/1259791332.db2.gz OLZVNJSFGHAMIP-UHFFFAOYSA-N -1 0 345.424 2.836 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)cc(C)nc2C)n1 ZINC000923462536 1261704432 /nfs/dbraw/zinc/70/44/32/1261704432.db2.gz KCGGJEOQEDMMRU-CYBMUJFWSA-N -1 0 343.408 2.805 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001116906426 1261842121 /nfs/dbraw/zinc/84/21/21/1261842121.db2.gz JIWNZVCIEHCJEQ-UPJWGTAASA-N -1 0 338.201 2.698 20 30 EFEDRM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)ccc1OCCC(=O)[O-] ZINC000791430751 1278120430 /nfs/dbraw/zinc/12/04/30/1278120430.db2.gz DBWNREUEULKWFU-RQOWECAXSA-N -1 0 343.335 2.545 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)c1 ZINC000729889990 1264101542 /nfs/dbraw/zinc/10/15/42/1264101542.db2.gz VQJVIWDTPGUZPR-ZDUSSCGKSA-N -1 0 341.392 2.990 20 30 EFEDRM N#CCOc1cccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000730151584 1264216338 /nfs/dbraw/zinc/21/63/38/1264216338.db2.gz NCXLVUSEFXIXKL-FPLPWBNLSA-N -1 0 337.331 2.948 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3[nH]ccc3c2)n1 ZINC000730854944 1264460006 /nfs/dbraw/zinc/46/00/06/1264460006.db2.gz ZXEQMJCVAJTUCG-ZDUSSCGKSA-N -1 0 339.376 2.966 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733201493 1265110651 /nfs/dbraw/zinc/11/06/51/1265110651.db2.gz LDRAAFFNOQGUBJ-DOMZBBRYSA-N -1 0 349.456 2.527 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733201498 1265110769 /nfs/dbraw/zinc/11/07/69/1265110769.db2.gz LDRAAFFNOQGUBJ-WFASDCNBSA-N -1 0 349.456 2.527 20 30 EFEDRM O=C([O-])COc1cccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000733203752 1265111096 /nfs/dbraw/zinc/11/10/96/1265111096.db2.gz YWNXVPJKIJNXOO-UHFFFAOYSA-N -1 0 346.293 2.751 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccc3c(c2)OCO3)c1 ZINC000733205435 1265112377 /nfs/dbraw/zinc/11/23/77/1265112377.db2.gz VKBKAZJUHBDHEM-XQRVVYSFSA-N -1 0 326.304 2.775 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2csc(C)n2)n1 ZINC000733581035 1265298002 /nfs/dbraw/zinc/29/80/02/1265298002.db2.gz QZJBWBXSJIPYLC-LBPRGKRZSA-N -1 0 349.437 2.569 20 30 EFEDRM Cc1cc(=O)n(-c2ccc(N[C@@H]3CCc4c3cccc4C#N)nn2)[n-]1 ZINC001171064282 1278269224 /nfs/dbraw/zinc/26/92/24/1278269224.db2.gz CUNXTCBRDIHONC-OAHLLOKOSA-N -1 0 332.367 2.560 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1[N+](=O)[O-] ZINC000734418298 1266967593 /nfs/dbraw/zinc/96/75/93/1266967593.db2.gz FVZWONXCPOJOHQ-UHFFFAOYSA-N -1 0 347.352 2.606 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000734415763 1266975932 /nfs/dbraw/zinc/97/59/32/1266975932.db2.gz HVSFFKRPMCCTSH-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM C=CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000735068322 1267193036 /nfs/dbraw/zinc/19/30/36/1267193036.db2.gz VHJBVVVGENHNCT-SECBINFHSA-N -1 0 336.335 2.643 20 30 EFEDRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000735208788 1267231176 /nfs/dbraw/zinc/23/11/76/1267231176.db2.gz SASAZZXLSVMYSA-PLNGDYQASA-N -1 0 346.330 2.738 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(NC(C)=O)ccc1F ZINC000073838087 1267534588 /nfs/dbraw/zinc/53/45/88/1267534588.db2.gz NAXHOTWRNILTRZ-UHFFFAOYSA-N -1 0 330.381 2.607 20 30 EFEDRM CCC(CC)S(=O)(=O)/N=C(\[O-])c1cc2c(C)nn(C)c2s1 ZINC000073838320 1267534766 /nfs/dbraw/zinc/53/47/66/1267534766.db2.gz OYCHJRONBDKHDR-UHFFFAOYSA-N -1 0 329.447 2.766 20 30 EFEDRM CCCc1sc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cc1CC ZINC000073839251 1267537794 /nfs/dbraw/zinc/53/77/94/1267537794.db2.gz YPIXCQRAXMQSBZ-SNVBAGLBSA-N -1 0 333.475 2.932 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)CCC1 ZINC000791765328 1278341567 /nfs/dbraw/zinc/34/15/67/1278341567.db2.gz MXTCITQQSKOAFS-UHFFFAOYSA-N -1 0 334.397 2.520 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)CCC1 ZINC000791802104 1278360309 /nfs/dbraw/zinc/36/03/09/1278360309.db2.gz VCSAWZMXHXCBRC-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1Br ZINC000791782758 1278373771 /nfs/dbraw/zinc/37/37/71/1278373771.db2.gz JUSWNEMRIFPOSX-MRVPVSSYSA-N -1 0 345.156 2.814 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273374414 1269143906 /nfs/dbraw/zinc/14/39/06/1269143906.db2.gz MSIINFASGJRUFD-ZDUSSCGKSA-N -1 0 336.382 2.575 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCc2ccccn2)n1 ZINC000741338174 1269488562 /nfs/dbraw/zinc/48/85/62/1269488562.db2.gz VDZWOIKFKOHIIU-AWEZNQCLSA-N -1 0 343.408 2.589 20 30 EFEDRM Cc1cc(O)c(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1C ZINC000741760545 1269683908 /nfs/dbraw/zinc/68/39/08/1269683908.db2.gz ZIMAXNVCHJKPKO-UHFFFAOYSA-N -1 0 325.393 2.890 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C)OCC ZINC000792061050 1278523917 /nfs/dbraw/zinc/52/39/17/1278523917.db2.gz VZTDDRINXVZVKM-MRXNPFEDSA-N -1 0 339.457 2.621 20 30 EFEDRM O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000743537965 1270638223 /nfs/dbraw/zinc/63/82/23/1270638223.db2.gz FNNSEYZHIPFCRY-YDDPGSGASA-N -1 0 339.351 2.520 20 30 EFEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000744003635 1270827328 /nfs/dbraw/zinc/82/73/28/1270827328.db2.gz JCGFOGVJJXXINE-UHFFFAOYSA-N -1 0 327.446 2.869 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H](C)OCC)s1 ZINC000744023500 1270833279 /nfs/dbraw/zinc/83/32/79/1270833279.db2.gz ZYEGUWKEZJMROR-VXGBXAGGSA-N -1 0 337.445 2.869 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc2ccc(OC)cc2c1C ZINC000744031169 1270833284 /nfs/dbraw/zinc/83/32/84/1270833284.db2.gz RUZDERQIQFZEBA-CYBMUJFWSA-N -1 0 328.393 2.843 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744298014 1270962232 /nfs/dbraw/zinc/96/22/32/1270962232.db2.gz HCWYOUAGCSRCQO-UHFFFAOYSA-N -1 0 327.446 2.872 20 30 EFEDRM COC(=O)COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000745020700 1271274898 /nfs/dbraw/zinc/27/48/98/1271274898.db2.gz MTIFTBVYNJXXBE-WCIBSUBMSA-N -1 0 340.331 2.833 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2Cc3ccccc32)n1 ZINC000745376974 1271462734 /nfs/dbraw/zinc/46/27/34/1271462734.db2.gz JWBWQAGDEAOPLN-UONOGXRCSA-N -1 0 326.377 2.511 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000745969122 1271704172 /nfs/dbraw/zinc/70/41/72/1271704172.db2.gz LVEZJTLYMZMOGH-UHFFFAOYSA-N -1 0 349.383 2.818 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccncc1 ZINC000746270456 1271950381 /nfs/dbraw/zinc/95/03/81/1271950381.db2.gz YLFGLXOVNVUQBA-KRWDZBQOSA-N -1 0 348.406 2.916 20 30 EFEDRM COc1cc(/C=C2/Cc3cc(O)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000187229290 1272043403 /nfs/dbraw/zinc/04/34/03/1272043403.db2.gz ALRMRAJDYXYLQR-WCIBSUBMSA-N -1 0 327.292 2.837 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000746477513 1272384390 /nfs/dbraw/zinc/38/43/90/1272384390.db2.gz NSJRIXNRDZTVDP-UHFFFAOYSA-N -1 0 341.429 2.639 20 30 EFEDRM C#CC1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000844045839 1278730706 /nfs/dbraw/zinc/73/07/06/1278730706.db2.gz RGCCEKQDHKKLMQ-UHFFFAOYSA-N -1 0 329.787 2.717 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(OCC)C(C)C)cc2[n-]c1=S ZINC000844082540 1278741277 /nfs/dbraw/zinc/74/12/77/1278741277.db2.gz PVNHARSAHIBKME-UHFFFAOYSA-N -1 0 347.440 2.673 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1Cl ZINC000103330298 1273103301 /nfs/dbraw/zinc/10/33/01/1273103301.db2.gz SULQSKNLTKMWOU-VIFPVBQESA-N -1 0 335.772 2.766 20 30 EFEDRM Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000867012264 1273228739 /nfs/dbraw/zinc/22/87/39/1273228739.db2.gz DGCXWTXGSBDZQD-LLVKDONJSA-N -1 0 329.381 2.785 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001169962513 1273283808 /nfs/dbraw/zinc/28/38/08/1273283808.db2.gz QREDKBICEKTYCN-UHFFFAOYSA-N -1 0 344.331 2.714 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1ncc(Cl)c(C(F)(F)F)n1 ZINC001169962395 1273284216 /nfs/dbraw/zinc/28/42/16/1273284216.db2.gz MNQALWHIKFPUKG-UHFFFAOYSA-N -1 0 346.656 2.575 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000746497200 1274211000 /nfs/dbraw/zinc/21/10/00/1274211000.db2.gz CHEJHJUSPVVAKO-UHFFFAOYSA-N -1 0 329.316 2.904 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCCCC1 ZINC000792563080 1278902442 /nfs/dbraw/zinc/90/24/42/1278902442.db2.gz OABOQGBMPNCSBJ-OAHLLOKOSA-N -1 0 348.509 2.901 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000792563058 1278902520 /nfs/dbraw/zinc/90/25/20/1278902520.db2.gz NLFYCAGLLHZHTQ-GJZGRUSLSA-N -1 0 348.509 2.757 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000792563062 1278902526 /nfs/dbraw/zinc/90/25/26/1278902526.db2.gz NLFYCAGLLHZHTQ-LSDHHAIUSA-N -1 0 348.509 2.757 20 30 EFEDRM CCS[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000785828555 1275199583 /nfs/dbraw/zinc/19/95/83/1275199583.db2.gz SNLZMDSWVLFLJL-WCQYABFASA-N -1 0 340.470 2.949 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Br)c2cc(C)oc21 ZINC000785880437 1275209295 /nfs/dbraw/zinc/20/92/95/1275209295.db2.gz KAVJDFZUOMXFAW-SNVBAGLBSA-N -1 0 335.157 2.572 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786533017 1275421136 /nfs/dbraw/zinc/42/11/36/1275421136.db2.gz CPYDGGFVNSQFFD-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM CC(C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533535 1275422601 /nfs/dbraw/zinc/42/26/01/1275422601.db2.gz FLMCHDYEPLVOLP-AWEZNQCLSA-N -1 0 344.802 2.756 20 30 EFEDRM CC(C)n1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n1 ZINC000786536442 1275423550 /nfs/dbraw/zinc/42/35/50/1275423550.db2.gz OAIRTDKSCCOYLI-AWEZNQCLSA-N -1 0 344.802 2.756 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n[nH]1 ZINC000786539679 1275424281 /nfs/dbraw/zinc/42/42/81/1275424281.db2.gz RKWGRDCJXBERFW-AWEZNQCLSA-N -1 0 344.802 2.654 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n1C ZINC000786539493 1275424557 /nfs/dbraw/zinc/42/45/57/1275424557.db2.gz QZFPQPNOVLJEKH-CQSZACIVSA-N -1 0 329.787 2.626 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000786539631 1275424691 /nfs/dbraw/zinc/42/46/91/1275424691.db2.gz WKJFXMPGICDHOO-CYBMUJFWSA-N -1 0 331.759 2.584 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1C ZINC000786542693 1275437079 /nfs/dbraw/zinc/43/70/79/1275437079.db2.gz PJMQVWNSROCZNS-KRWDZBQOSA-N -1 0 336.391 2.951 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)ncn3C)c1 ZINC000786541628 1275437295 /nfs/dbraw/zinc/43/72/95/1275437295.db2.gz QGPFKWQMIWGLLP-INIZCTEOSA-N -1 0 346.390 2.521 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccn1 ZINC000786541832 1275437405 /nfs/dbraw/zinc/43/74/05/1275437405.db2.gz REYFCVHPTMTTGP-HNNXBMFYSA-N -1 0 339.420 2.751 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)c1 ZINC000786548195 1275439144 /nfs/dbraw/zinc/43/91/44/1275439144.db2.gz IYZWGXNWXAORSS-OAHLLOKOSA-N -1 0 337.379 2.501 20 30 EFEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786551795 1275440036 /nfs/dbraw/zinc/44/00/36/1275440036.db2.gz HDGMVOZODPLXNM-CYBMUJFWSA-N -1 0 328.393 2.949 20 30 EFEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000786551798 1275440347 /nfs/dbraw/zinc/44/03/47/1275440347.db2.gz HDGMVOZODPLXNM-ZDUSSCGKSA-N -1 0 328.393 2.949 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)c1 ZINC000786552555 1275441802 /nfs/dbraw/zinc/44/18/02/1275441802.db2.gz NSXXDDCHBKZPAP-ZDUSSCGKSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786558458 1275442320 /nfs/dbraw/zinc/44/23/20/1275442320.db2.gz CRDLJTDHNCSJHG-HNNXBMFYSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)oc1C ZINC000786558100 1275442885 /nfs/dbraw/zinc/44/28/85/1275442885.db2.gz KGEQJHKJCKCKAU-ZDUSSCGKSA-N -1 0 332.306 2.814 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc(F)c1 ZINC000786561154 1275443731 /nfs/dbraw/zinc/44/37/31/1275443731.db2.gz OAISMRQVYLZIKB-CQSZACIVSA-N -1 0 332.281 2.743 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786559481 1275444138 /nfs/dbraw/zinc/44/41/38/1275444138.db2.gz OYHQDPUIUNFOTB-HNNXBMFYSA-N -1 0 344.317 2.612 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cc(C#N)cs1 ZINC000786561958 1275444172 /nfs/dbraw/zinc/44/41/72/1275444172.db2.gz HMEZIIOLXCRBLY-LBPRGKRZSA-N -1 0 345.330 2.537 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000786570091 1275445727 /nfs/dbraw/zinc/44/57/27/1275445727.db2.gz NUIZJTAGCHMPOW-CQSZACIVSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786572069 1275447187 /nfs/dbraw/zinc/44/71/87/1275447187.db2.gz VNVGHJBORCFDPX-NSHDSACASA-N -1 0 334.347 2.974 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(F)cc1 ZINC000786571911 1275447198 /nfs/dbraw/zinc/44/71/98/1275447198.db2.gz USDCUGBXRPLOHI-ZDUSSCGKSA-N -1 0 332.281 2.743 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N ZINC000786658291 1275463934 /nfs/dbraw/zinc/46/39/34/1275463934.db2.gz VTGQRYMPXYHOLF-QXMHVHEDSA-N -1 0 340.404 2.639 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1)c1ccccc1 ZINC000787031993 1275621278 /nfs/dbraw/zinc/62/12/78/1275621278.db2.gz OAHFQMNARKSVPO-OLZOCXBDSA-N -1 0 346.337 2.868 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)n[nH]1 ZINC000787045990 1275627712 /nfs/dbraw/zinc/62/77/12/1275627712.db2.gz LYRBUMUIYWJGKM-HOTGVXAUSA-N -1 0 338.411 2.952 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)co1 ZINC000787048118 1275628942 /nfs/dbraw/zinc/62/89/42/1275628942.db2.gz ZOWIWELYJSZKQI-UONOGXRCSA-N -1 0 325.368 2.827 20 30 EFEDRM C[C@H](Oc1cccc(C=NN2C(=S)N=NC2C(C)(C)C)c1)C(=O)[O-] ZINC000746678309 1275764683 /nfs/dbraw/zinc/76/46/83/1275764683.db2.gz COKMLQYDVCCFAT-JTQLQIEISA-N -1 0 348.428 2.598 20 30 EFEDRM CCCCCNC(=S)NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000746681510 1275779595 /nfs/dbraw/zinc/77/95/95/1275779595.db2.gz CULSTTQMQBTMOJ-GFCCVEGCSA-N -1 0 337.445 2.527 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[n-]c2ccccc2c1=O ZINC000787841666 1275937449 /nfs/dbraw/zinc/93/74/49/1275937449.db2.gz AYFYTJQAMUOLAM-HNNXBMFYSA-N -1 0 330.347 2.624 20 30 EFEDRM Cc1ccc2c(c1)C(=N[N-]c1nnc(-c3ccccn3)s1)C(=O)N2 ZINC000788028570 1276009491 /nfs/dbraw/zinc/00/94/91/1276009491.db2.gz ZTHZPCNOUIEGSH-UHFFFAOYSA-N -1 0 336.380 2.677 20 30 EFEDRM C#CCC1(C(=O)OCC(=O)[N-]OCc2ccccc2)CCCCC1 ZINC000788215866 1276096408 /nfs/dbraw/zinc/09/64/08/1276096408.db2.gz FQLYUPIJGUOETR-UHFFFAOYSA-N -1 0 329.396 2.751 20 30 EFEDRM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000789073168 1276478271 /nfs/dbraw/zinc/47/82/71/1276478271.db2.gz FVJWEJAJKFXKPJ-UHFFFAOYSA-N -1 0 338.323 2.978 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000789620007 1276858878 /nfs/dbraw/zinc/85/88/78/1276858878.db2.gz SBMFCJWULBZKTJ-UHFFFAOYSA-N -1 0 343.832 2.656 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000819934949 1276960322 /nfs/dbraw/zinc/96/03/22/1276960322.db2.gz OBDMNULFNKMQDV-UHFFFAOYSA-N -1 0 340.401 2.619 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000819938160 1276961076 /nfs/dbraw/zinc/96/10/76/1276961076.db2.gz POILOSRZIIDFLT-UHFFFAOYSA-N -1 0 346.246 2.856 20 30 EFEDRM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC000790005986 1277165370 /nfs/dbraw/zinc/16/53/70/1277165370.db2.gz DCSDTDDOVUEVIH-UHFFFAOYSA-N -1 0 343.427 2.923 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000790069627 1277205320 /nfs/dbraw/zinc/20/53/20/1277205320.db2.gz WXBQGYQHTPISQH-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1nccn1-c1ccccc1 ZINC000790148547 1277288595 /nfs/dbraw/zinc/28/85/95/1277288595.db2.gz YRWZHNOBNRHPAL-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cnnn2-c2ccccc2)ccc1O ZINC000821007825 1277415169 /nfs/dbraw/zinc/41/51/69/1277415169.db2.gz LEZCCMSUDCVEBG-VQHVLOKHSA-N -1 0 335.319 2.567 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1cccc(F)c1[N+](=O)[O-])O2 ZINC000790306750 1277441256 /nfs/dbraw/zinc/44/12/56/1277441256.db2.gz OMLXKIJJZPWEAM-UHFFFAOYSA-N -1 0 331.259 2.749 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(-c3cc(=O)n(-c4ccccc4)[n-]3)n2)c1 ZINC001212602267 1279043258 /nfs/dbraw/zinc/04/32/58/1279043258.db2.gz QKGABFWLLDNVDJ-UHFFFAOYSA-N -1 0 347.309 2.888 20 30 EFEDRM COc1ccc(Nc2ccc(OCC#N)cc2)c(S(=O)(=O)[O-])c1 ZINC001212610392 1277483073 /nfs/dbraw/zinc/48/30/73/1277483073.db2.gz QUCAYGHNGOSCND-UHFFFAOYSA-N -1 0 334.353 2.588 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)c(Cl)c1 ZINC000790641744 1277715538 /nfs/dbraw/zinc/71/55/38/1277715538.db2.gz BLQWWXHWSHYVEL-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM C/C=C(\CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790864695 1277812420 /nfs/dbraw/zinc/81/24/20/1277812420.db2.gz QMOYYNLEPMQCMA-YCRREMRBSA-N -1 0 346.330 2.738 20 30 EFEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790868429 1277814487 /nfs/dbraw/zinc/81/44/87/1277814487.db2.gz MFIFTVILMDYFER-UHFFFAOYSA-N -1 0 334.319 2.572 20 30 EFEDRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862118 1277840616 /nfs/dbraw/zinc/84/06/16/1277840616.db2.gz LEZSAVMECVKEGY-SECBINFHSA-N -1 0 348.346 2.818 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000871825737 1287310626 /nfs/dbraw/zinc/31/06/26/1287310626.db2.gz ASCQGCMJAHIVAQ-UHFFFAOYSA-N -1 0 335.784 2.762 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)n[nH]c1C1CC1 ZINC000792661466 1279077131 /nfs/dbraw/zinc/07/71/31/1279077131.db2.gz LOXONUQEJBMLKD-UHFFFAOYSA-N -1 0 338.339 2.897 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)CCC(C)C)sc1C(=O)[O-] ZINC000871865499 1287329125 /nfs/dbraw/zinc/32/91/25/1287329125.db2.gz VUOQFAALIYRTAL-UHFFFAOYSA-N -1 0 344.458 2.705 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871872848 1287333989 /nfs/dbraw/zinc/33/39/89/1287333989.db2.gz OFRWOZKCIDXDTE-SSDOTTSWSA-N -1 0 338.212 2.935 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000844889865 1279318918 /nfs/dbraw/zinc/31/89/18/1279318918.db2.gz WCBGWVGHZAWIIJ-UHFFFAOYSA-N -1 0 325.430 2.729 20 30 EFEDRM CC[C@@H](NN=Cc1c(-c2ccccc2)nc2sccn12)C(=O)[O-] ZINC000793056835 1279345421 /nfs/dbraw/zinc/34/54/21/1279345421.db2.gz XWGGMHCOQSBLKW-GFCCVEGCSA-N -1 0 328.397 2.850 20 30 EFEDRM CC[C@@H](NN=CC1=Cc2cc(Br)ccc2OC1)C(=O)[O-] ZINC000793073218 1279357671 /nfs/dbraw/zinc/35/76/71/1279357671.db2.gz ZDVSWOAYUJWMHV-GFCCVEGCSA-N -1 0 339.189 2.664 20 30 EFEDRM CC[C@@H](NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000793077321 1279358605 /nfs/dbraw/zinc/35/86/05/1279358605.db2.gz DCPWZQDHUQRJJG-ZIAGYGMSSA-N -1 0 340.807 2.685 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000793079433 1279360248 /nfs/dbraw/zinc/36/02/48/1279360248.db2.gz SIUKMUXQSBAELH-KRWDZBQOSA-N -1 0 328.416 2.643 20 30 EFEDRM CC[C@H](NN=C1CCOc2c(Br)cc(C)cc21)C(=O)[O-] ZINC000793082002 1279361173 /nfs/dbraw/zinc/36/11/73/1279361173.db2.gz RQNLJGGCUJYLOA-NSHDSACASA-N -1 0 341.205 2.697 20 30 EFEDRM CC[C@@H](NN=Cc1cn(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793058593 1279367957 /nfs/dbraw/zinc/36/79/57/1279367957.db2.gz WGCHDSLNTTXHNO-OAHLLOKOSA-N -1 0 328.416 2.957 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC=C2 ZINC000793124060 1279371520 /nfs/dbraw/zinc/37/15/20/1279371520.db2.gz OVFZRBRFHABHQY-GOSISDBHSA-N -1 0 340.423 2.900 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000793125398 1279371835 /nfs/dbraw/zinc/37/18/35/1279371835.db2.gz PFUKVAHQBPYURC-VIFPVBQESA-N -1 0 349.799 2.904 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccc2ccccc2c1 ZINC000793201790 1279414136 /nfs/dbraw/zinc/41/41/36/1279414136.db2.gz RKEBMZJULQMVAH-ZDUSSCGKSA-N -1 0 342.420 2.693 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC=C3)CCCC1 ZINC000793191068 1279437011 /nfs/dbraw/zinc/43/70/11/1279437011.db2.gz OEUMXHGDFZXHED-UHFFFAOYSA-N -1 0 344.436 2.790 20 30 EFEDRM CC(C)(C)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793195177 1279439124 /nfs/dbraw/zinc/43/91/24/1279439124.db2.gz HVGCMZCEFZUYID-RMKNXTFCSA-N -1 0 346.452 2.747 20 30 EFEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793196596 1279439657 /nfs/dbraw/zinc/43/96/57/1279439657.db2.gz UBGVDKGHIBDOFR-AWEZNQCLSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000793203441 1279465396 /nfs/dbraw/zinc/46/53/96/1279465396.db2.gz LGAOOQUEMGVWQC-OAHLLOKOSA-N -1 0 334.441 2.566 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793409367 1279602721 /nfs/dbraw/zinc/60/27/21/1279602721.db2.gz PECBGKKPYDZCRM-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845443386 1279632359 /nfs/dbraw/zinc/63/23/59/1279632359.db2.gz BRMRZZSZWVDXIV-HNNXBMFYSA-N -1 0 336.395 2.772 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845441559 1279633567 /nfs/dbraw/zinc/63/35/67/1279633567.db2.gz ZLKBWQNYFYCAAX-ZDUSSCGKSA-N -1 0 348.786 2.951 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2 ZINC000845443406 1279634840 /nfs/dbraw/zinc/63/48/40/1279634840.db2.gz CJYCLNWOQSUHNH-HNNXBMFYSA-N -1 0 344.411 2.867 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2 ZINC000845443425 1279635914 /nfs/dbraw/zinc/63/59/14/1279635914.db2.gz DATMYHDIKLNCSU-ZIAGYGMSSA-N -1 0 330.432 2.799 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2 ZINC000845443422 1279636091 /nfs/dbraw/zinc/63/60/91/1279636091.db2.gz DATMYHDIKLNCSU-KBPBESRZSA-N -1 0 330.432 2.799 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1F ZINC000793445366 1279658550 /nfs/dbraw/zinc/65/85/50/1279658550.db2.gz VSBFEBIUCGVPII-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871935958 1287369470 /nfs/dbraw/zinc/36/94/70/1287369470.db2.gz VUUXMONQSQYBLD-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000793736530 1279852810 /nfs/dbraw/zinc/85/28/10/1279852810.db2.gz XPGDRDMJIIHULF-UHFFFAOYSA-N -1 0 342.305 2.839 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1sc(Br)cc1C ZINC000845861619 1279894646 /nfs/dbraw/zinc/89/46/46/1279894646.db2.gz BNYKYMBSWUDDJP-UHFFFAOYSA-N -1 0 330.656 2.850 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845888441 1279913858 /nfs/dbraw/zinc/91/38/58/1279913858.db2.gz IHWNBJWVZUCNLH-HNNXBMFYSA-N -1 0 345.848 2.515 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1F ZINC000794017337 1279999677 /nfs/dbraw/zinc/99/96/77/1279999677.db2.gz GJXMCANEXUTOOU-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000794040939 1280008215 /nfs/dbraw/zinc/00/82/15/1280008215.db2.gz DMVCDCDVKSENSY-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc(OC)c1OC ZINC000846126143 1280029182 /nfs/dbraw/zinc/02/91/82/1280029182.db2.gz GNZFEMWTOKMPRL-OAHLLOKOSA-N -1 0 347.411 2.663 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000846147127 1280037282 /nfs/dbraw/zinc/03/72/82/1280037282.db2.gz MPLGXIJZFFVHTM-UHFFFAOYSA-N -1 0 336.436 2.615 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000846149940 1280037498 /nfs/dbraw/zinc/03/74/98/1280037498.db2.gz VMWHORHHHJBKNG-UHFFFAOYSA-N -1 0 331.372 2.688 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cc(Br)cc1C ZINC000846150426 1280038203 /nfs/dbraw/zinc/03/82/03/1280038203.db2.gz GRNXSULLLNNSFF-UHFFFAOYSA-N -1 0 341.205 2.628 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000846152723 1280038266 /nfs/dbraw/zinc/03/82/66/1280038266.db2.gz CEFXNFYONZNOSM-ZDUSSCGKSA-N -1 0 331.416 2.626 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000846154349 1280039329 /nfs/dbraw/zinc/03/93/29/1280039329.db2.gz KYOXYPLSJULTPN-JTQLQIEISA-N -1 0 326.780 2.690 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000846154675 1280039507 /nfs/dbraw/zinc/03/95/07/1280039507.db2.gz OWLFJTGYVJLPDR-LBPRGKRZSA-N -1 0 347.415 2.540 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000846154244 1280039725 /nfs/dbraw/zinc/03/97/25/1280039725.db2.gz MIDPYVZYHAAONV-SNVBAGLBSA-N -1 0 331.372 2.686 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000846153476 1280039905 /nfs/dbraw/zinc/03/99/05/1280039905.db2.gz IKBBZTUNNPLKJS-JTQLQIEISA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(CCC)CCC)cc1 ZINC000846157631 1280040312 /nfs/dbraw/zinc/04/03/12/1280040312.db2.gz VXRFNILDCDGDOR-CQSZACIVSA-N -1 0 333.432 2.874 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000846156047 1280040449 /nfs/dbraw/zinc/04/04/49/1280040449.db2.gz JXNUAQHDDNLRAN-ZJUUUORDSA-N -1 0 346.305 2.577 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000846155507 1280041180 /nfs/dbraw/zinc/04/11/80/1280041180.db2.gz XRTXXAMGYYNKEF-MNOVXSKESA-N -1 0 337.445 2.609 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000846146303 1280052979 /nfs/dbraw/zinc/05/29/79/1280052979.db2.gz NEILGAJBAYMHGL-UHFFFAOYSA-N -1 0 336.363 2.710 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000846540837 1280235029 /nfs/dbraw/zinc/23/50/29/1280235029.db2.gz AUDDAWULUJRCOL-WDEREUQCSA-N -1 0 326.393 2.508 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000846542388 1280235157 /nfs/dbraw/zinc/23/51/57/1280235157.db2.gz ARBPYXXIHDVZHQ-LBPRGKRZSA-N -1 0 333.413 2.595 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000846540831 1280235588 /nfs/dbraw/zinc/23/55/88/1280235588.db2.gz AUDDAWULUJRCOL-GHMZBOCLSA-N -1 0 326.393 2.508 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000846542686 1280236802 /nfs/dbraw/zinc/23/68/02/1280236802.db2.gz GGTKGRQZOIUDKQ-SECBINFHSA-N -1 0 327.356 2.973 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000846542023 1280237169 /nfs/dbraw/zinc/23/71/69/1280237169.db2.gz RYBNSHRCYLBZQR-JTQLQIEISA-N -1 0 338.458 2.741 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000846542770 1280237847 /nfs/dbraw/zinc/23/78/47/1280237847.db2.gz BTAJNRWXRWMRSS-ZDUSSCGKSA-N -1 0 332.429 2.599 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000846552998 1280247026 /nfs/dbraw/zinc/24/70/26/1280247026.db2.gz VCCOAOZPDRTTJE-BXKDBHETSA-N -1 0 330.837 2.778 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000846536727 1280251630 /nfs/dbraw/zinc/25/16/30/1280251630.db2.gz YAKSKWXRZQWLLQ-IAQYHMDHSA-N -1 0 340.782 2.622 20 30 EFEDRM C=C(C)CO[N-]C(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000846537488 1280251818 /nfs/dbraw/zinc/25/18/18/1280251818.db2.gz GWFRBMZCCMDGMN-UHFFFAOYSA-N -1 0 336.388 2.648 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846537402 1280252331 /nfs/dbraw/zinc/25/23/31/1280252331.db2.gz IUXSABCLOGOJTD-ZDUSSCGKSA-N -1 0 335.795 2.569 20 30 EFEDRM CC(=O)c1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cs1 ZINC000815274771 1287408909 /nfs/dbraw/zinc/40/89/09/1287408909.db2.gz MZYJRNXBAKADCA-LLVKDONJSA-N -1 0 348.405 2.749 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000805134573 1280454102 /nfs/dbraw/zinc/45/41/02/1280454102.db2.gz CUNHPEJFQXTYIQ-UHFFFAOYSA-N -1 0 347.179 2.642 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000805843908 1280844782 /nfs/dbraw/zinc/84/47/82/1280844782.db2.gz XEQHIOVUIIOKSZ-UHFFFAOYSA-N -1 0 348.346 2.984 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1ccccn1 ZINC000805844951 1280847583 /nfs/dbraw/zinc/84/75/83/1280847583.db2.gz PAPXNPODBYOFGO-MRXNPFEDSA-N -1 0 347.374 2.980 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805915905 1280869528 /nfs/dbraw/zinc/86/95/28/1280869528.db2.gz OZIDBNRAYZFMBA-UHFFFAOYSA-N -1 0 345.424 2.822 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(F)c1 ZINC000123993201 1287473209 /nfs/dbraw/zinc/47/32/09/1287473209.db2.gz QIAQHRHOGVYAIW-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)c1 ZINC000806575636 1281101622 /nfs/dbraw/zinc/10/16/22/1281101622.db2.gz ISHQRGUBWFQOCI-BQYQJAHWSA-N -1 0 349.346 2.627 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000123999391 1287476234 /nfs/dbraw/zinc/47/62/34/1287476234.db2.gz NHZWZQKONOANOI-UHFFFAOYSA-N -1 0 343.408 2.628 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1F ZINC000798210745 1281218941 /nfs/dbraw/zinc/21/89/41/1281218941.db2.gz IMGHFZAQPRIHTQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(F)c(F)c1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887751 1281323177 /nfs/dbraw/zinc/32/31/77/1281323177.db2.gz RCGAYGSHLLNXIG-UHFFFAOYSA-N -1 0 340.289 2.568 20 30 EFEDRM COc1cccc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)c1[O-] ZINC001148208261 1281451618 /nfs/dbraw/zinc/45/16/18/1281451618.db2.gz ISFNQVWGNSWXGX-UHFFFAOYSA-N -1 0 336.347 2.805 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(C(F)(F)F)[nH]1 ZINC000807959325 1281479371 /nfs/dbraw/zinc/47/93/71/1281479371.db2.gz QIXLLGICVITZAS-UHFFFAOYSA-N -1 0 338.314 2.914 20 30 EFEDRM CC(N=Nc1nccnc1C1CCC1)c1cc(C(=O)[O-])ccc1O ZINC000807994215 1281487304 /nfs/dbraw/zinc/48/73/04/1281487304.db2.gz MSVLHCIOLNMWIR-UHFFFAOYSA-N -1 0 326.356 2.984 20 30 EFEDRM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000808070934 1281515391 /nfs/dbraw/zinc/51/53/91/1281515391.db2.gz GIJWREDOVONCJO-UITAMQMPSA-N -1 0 346.364 2.528 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808086136 1281533014 /nfs/dbraw/zinc/53/30/14/1281533014.db2.gz SMTVJVWXBPWCBU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c(Cl)c1 ZINC000808125074 1281543722 /nfs/dbraw/zinc/54/37/22/1281543722.db2.gz HYGJVPBLKPOGMO-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1 ZINC000808978125 1281979088 /nfs/dbraw/zinc/97/90/88/1281979088.db2.gz HAQUFMUEVFDSBS-CQSZACIVSA-N -1 0 330.432 2.793 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979029 1281980933 /nfs/dbraw/zinc/98/09/33/1281980933.db2.gz DGNNJAZWCVPJDJ-ZDUSSCGKSA-N -1 0 339.317 2.872 20 30 EFEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2 ZINC000809157614 1282068170 /nfs/dbraw/zinc/06/81/70/1282068170.db2.gz RAPCXDQVPLEEIS-XGICHPGQSA-N -1 0 340.331 2.930 20 30 EFEDRM CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C#N)ccc3[O-])CC2=O)cc1 ZINC000748002780 1287551937 /nfs/dbraw/zinc/55/19/37/1287551937.db2.gz QAYGQDSWKVKKQO-HNNXBMFYSA-N -1 0 349.390 2.818 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000810520577 1287608344 /nfs/dbraw/zinc/60/83/44/1287608344.db2.gz GDBZFKWROCLQAZ-UHFFFAOYSA-N -1 0 334.224 2.848 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000810520490 1283303513 /nfs/dbraw/zinc/30/35/13/1283303513.db2.gz FPFSMQIBYPBRDP-UHFFFAOYSA-N -1 0 340.253 2.909 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)CO2 ZINC000810528432 1283318490 /nfs/dbraw/zinc/31/84/90/1283318490.db2.gz UURVIYPLBZWIST-CQSZACIVSA-N -1 0 328.412 2.985 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1 ZINC000810529055 1283321378 /nfs/dbraw/zinc/32/13/78/1283321378.db2.gz ZMEPZIDWKINHML-QGZVFWFLSA-N -1 0 328.412 2.819 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000810529629 1283322504 /nfs/dbraw/zinc/32/25/04/1283322504.db2.gz KYJCJDZYPZNOIP-MRXNPFEDSA-N -1 0 342.395 2.635 20 30 EFEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc21 ZINC000810529674 1283322965 /nfs/dbraw/zinc/32/29/65/1283322965.db2.gz LSHCJUDCDPWYTH-INIZCTEOSA-N -1 0 348.402 2.995 20 30 EFEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC000747609684 1283398526 /nfs/dbraw/zinc/39/85/26/1283398526.db2.gz XMHSHLDFNAUGFT-UHFFFAOYSA-N -1 0 344.318 2.535 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000810637433 1283447966 /nfs/dbraw/zinc/44/79/66/1283447966.db2.gz CTPQJTCZJBTOQR-UHFFFAOYSA-N -1 0 327.471 2.900 20 30 EFEDRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCC1 ZINC000810669191 1283473818 /nfs/dbraw/zinc/47/38/18/1283473818.db2.gz OFGDOJJUEBSBSV-UHFFFAOYSA-N -1 0 346.452 2.557 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000810783924 1283587583 /nfs/dbraw/zinc/58/75/83/1283587583.db2.gz KNYKECLORPTZAV-UHFFFAOYSA-N -1 0 339.482 2.710 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000810783814 1283587605 /nfs/dbraw/zinc/58/76/05/1283587605.db2.gz FUZPPQHVENZTGE-ZDUSSCGKSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000810784983 1283587637 /nfs/dbraw/zinc/58/76/37/1283587637.db2.gz UEDPHDLVSUUNRD-NEPJUHHUSA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000810785258 1283587661 /nfs/dbraw/zinc/58/76/61/1283587661.db2.gz DIASIXUSOFQWEJ-UHFFFAOYSA-N -1 0 345.804 2.777 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCc1csc2ccccc12 ZINC000810782839 1283587684 /nfs/dbraw/zinc/58/76/84/1283587684.db2.gz ZOICDBUADIVUAL-UHFFFAOYSA-N -1 0 335.450 2.693 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000810785093 1283587764 /nfs/dbraw/zinc/58/77/64/1283587764.db2.gz WSSPHSUMQLTAKO-STQMWFEESA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000810783864 1283587793 /nfs/dbraw/zinc/58/77/93/1283587793.db2.gz IAZVFMIPDHPOFZ-CQSZACIVSA-N -1 0 327.833 2.549 20 30 EFEDRM Cc1onc(OC(F)F)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC001411340523 1283611839 /nfs/dbraw/zinc/61/18/39/1283611839.db2.gz IPVIFOBIUJLMAU-UHFFFAOYSA-N -1 0 329.209 2.987 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000810773373 1283630981 /nfs/dbraw/zinc/63/09/81/1283630981.db2.gz BVJAKFVLWFEDAQ-UHFFFAOYSA-N -1 0 341.388 2.977 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000810772815 1283633750 /nfs/dbraw/zinc/63/37/50/1283633750.db2.gz GJZQLMGDFFTYQH-UHFFFAOYSA-N -1 0 329.421 2.632 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc(C2CCCCC2)nc1C ZINC000810775577 1283634200 /nfs/dbraw/zinc/63/42/00/1283634200.db2.gz LDVBJOSMBCYKRM-UHFFFAOYSA-N -1 0 340.470 2.582 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000810778613 1283637549 /nfs/dbraw/zinc/63/75/49/1283637549.db2.gz FXRVMCPZGMYDRN-UHFFFAOYSA-N -1 0 349.358 2.715 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1ccco1 ZINC000810779514 1283643187 /nfs/dbraw/zinc/64/31/87/1283643187.db2.gz QKBVXSJTKYNYKC-UHFFFAOYSA-N -1 0 349.433 2.655 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810831188 1283714804 /nfs/dbraw/zinc/71/48/04/1283714804.db2.gz SGXNYORSRMTAMB-UHFFFAOYSA-N -1 0 331.438 2.511 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(OC)cc2)CC1 ZINC000810981565 1283884611 /nfs/dbraw/zinc/88/46/11/1283884611.db2.gz RUTVFBYLYLPBBX-UHFFFAOYSA-N -1 0 337.441 2.528 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc(-c3ccccc3)nc2C)CC1 ZINC000810980804 1283886039 /nfs/dbraw/zinc/88/60/39/1283886039.db2.gz FVKWGKVFTLMHCE-UHFFFAOYSA-N -1 0 346.408 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2c(C)cc(C)cc2C)CC1 ZINC000810983706 1283907841 /nfs/dbraw/zinc/90/78/41/1283907841.db2.gz GHZJKYVXDZFBGM-UHFFFAOYSA-N -1 0 337.441 2.545 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSc2ccc(F)c(F)c2)CC1 ZINC000810983070 1283909575 /nfs/dbraw/zinc/90/95/75/1283909575.db2.gz GOBYLRTWMSKCPF-UHFFFAOYSA-N -1 0 347.408 2.612 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000810984316 1283911007 /nfs/dbraw/zinc/91/10/07/1283911007.db2.gz ZJZAPGUOHNJSPS-UHFFFAOYSA-N -1 0 349.330 2.754 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000810985496 1283913906 /nfs/dbraw/zinc/91/39/06/1283913906.db2.gz NMGIAOQOPPXDRR-NWDGAFQWSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000810985398 1283914234 /nfs/dbraw/zinc/91/42/34/1283914234.db2.gz KINJMQCYKNMWKP-LBPRGKRZSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(OC(C)C)c2)CC1 ZINC000810986114 1283914967 /nfs/dbraw/zinc/91/49/67/1283914967.db2.gz PASSJQDEOGSXIJ-UHFFFAOYSA-N -1 0 337.441 2.571 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000810986805 1283915045 /nfs/dbraw/zinc/91/50/45/1283915045.db2.gz NTNKVRZEBWLLDE-UHFFFAOYSA-N -1 0 337.228 2.500 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000810988548 1283915185 /nfs/dbraw/zinc/91/51/85/1283915185.db2.gz RPNFNWZBTOPHBJ-UHFFFAOYSA-N -1 0 335.759 2.787 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000810988641 1283915208 /nfs/dbraw/zinc/91/52/08/1283915208.db2.gz UYVNHRXNUODZKM-NSHDSACASA-N -1 0 343.832 2.662 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2ccc3ccccc3c2)CC1 ZINC000810988502 1283915653 /nfs/dbraw/zinc/91/56/53/1283915653.db2.gz LDWIJOMUBRNZGZ-UHFFFAOYSA-N -1 0 345.420 2.773 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3sccc32)CC1 ZINC000810986220 1283915683 /nfs/dbraw/zinc/91/56/83/1283915683.db2.gz RFLFKFCFRAIQRP-GFCCVEGCSA-N -1 0 325.455 2.723 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000810988722 1283915748 /nfs/dbraw/zinc/91/57/48/1283915748.db2.gz PNSUDAPTLFLVCF-UHFFFAOYSA-N -1 0 339.844 2.926 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)SCc2ccccc2)CC1 ZINC000810988403 1283915840 /nfs/dbraw/zinc/91/58/40/1283915840.db2.gz IKTWOQBQBSUZRR-ZDUSSCGKSA-N -1 0 339.482 2.863 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2COC)CC1 ZINC000810987027 1283915949 /nfs/dbraw/zinc/91/59/49/1283915949.db2.gz VTJRLHARXFIFHF-UHFFFAOYSA-N -1 0 349.408 2.748 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000810988121 1283917406 /nfs/dbraw/zinc/91/74/06/1283917406.db2.gz JDYHWPVGOVRQRV-VXGBXAGGSA-N -1 0 325.455 2.715 20 30 EFEDRM C=CCC1(C(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093664339 1284355348 /nfs/dbraw/zinc/35/53/48/1284355348.db2.gz YILMQUNBJQWVDA-UHFFFAOYSA-N -1 0 348.403 2.750 20 30 EFEDRM C=C(C)CNN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000811651876 1284486505 /nfs/dbraw/zinc/48/65/05/1284486505.db2.gz OPPNXTPZSPJNFX-UHFFFAOYSA-N -1 0 329.322 2.726 20 30 EFEDRM COC(=O)c1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cn1C ZINC000811686859 1284489014 /nfs/dbraw/zinc/48/90/14/1284489014.db2.gz BELJJICRQARKHW-WDZFZDKYSA-N -1 0 343.335 2.624 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000811666471 1284495049 /nfs/dbraw/zinc/49/50/49/1284495049.db2.gz DWUMVKMZWSHSRO-HUUCEWRRSA-N -1 0 342.395 2.930 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(F)c1 ZINC000811856918 1284696568 /nfs/dbraw/zinc/69/65/68/1284696568.db2.gz TYDYBDSBEFIABG-LLVKDONJSA-N -1 0 329.297 2.592 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1csc(-c2ccccc2F)n1 ZINC000812223954 1284973554 /nfs/dbraw/zinc/97/35/54/1284973554.db2.gz UEQYRCAYMISOOL-UHFFFAOYSA-N -1 0 344.375 2.984 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=CC1=Cc2ccccc2OC1 ZINC000812455897 1285154580 /nfs/dbraw/zinc/15/45/80/1285154580.db2.gz XJPUSOLDXFBLTO-UHFFFAOYSA-N -1 0 335.388 2.995 20 30 EFEDRM COCCOCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000812525669 1285215522 /nfs/dbraw/zinc/21/55/22/1285215522.db2.gz JNVNGIKUAGNBTH-UHFFFAOYSA-N -1 0 326.352 2.679 20 30 EFEDRM COC(=O)C12CCC(C(=O)Nc3cc(C#N)c(F)cc3[O-])(CC1)CC2 ZINC001179004011 1289018693 /nfs/dbraw/zinc/01/86/93/1289018693.db2.gz XYWHCOJPOCBMRQ-UHFFFAOYSA-N -1 0 346.358 2.855 20 30 EFEDRM CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983108 1286230951 /nfs/dbraw/zinc/23/09/51/1286230951.db2.gz IBKKBWQESDBGPN-MRXNPFEDSA-N -1 0 337.445 2.755 20 30 EFEDRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813982623 1286231613 /nfs/dbraw/zinc/23/16/13/1286231613.db2.gz PAZQSFUEMBNWQQ-AWEZNQCLSA-N -1 0 337.445 2.755 20 30 EFEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983586 1286231887 /nfs/dbraw/zinc/23/18/87/1286231887.db2.gz YVAOQCCWDHKBOI-CYBMUJFWSA-N -1 0 337.445 2.755 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1 ZINC000814015871 1286238096 /nfs/dbraw/zinc/23/80/96/1286238096.db2.gz JFDAXQPHOJZJTJ-MRXNPFEDSA-N -1 0 328.393 2.769 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000814020691 1286241296 /nfs/dbraw/zinc/24/12/96/1286241296.db2.gz UZAGLYJVZKDUFB-MRXNPFEDSA-N -1 0 328.393 2.769 20 30 EFEDRM C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814020640 1286241356 /nfs/dbraw/zinc/24/13/56/1286241356.db2.gz UKBODJJPEZFXOO-GOSISDBHSA-N -1 0 341.432 2.808 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1 ZINC000814022156 1286244180 /nfs/dbraw/zinc/24/41/80/1286244180.db2.gz MITXARSHZGZDGK-KRWDZBQOSA-N -1 0 342.420 2.698 20 30 EFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000814211336 1286404938 /nfs/dbraw/zinc/40/49/38/1286404938.db2.gz ZKFVDLMNYOKCAA-UHFFFAOYSA-N -1 0 348.449 2.529 20 30 EFEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000814231371 1286429252 /nfs/dbraw/zinc/42/92/52/1286429252.db2.gz VITFSBRDMOXVJR-UHFFFAOYSA-N -1 0 349.144 2.594 20 30 EFEDRM CC(C)NS(=O)(=O)c1ccc(Nc2scc([O-])c2C#N)cc1 ZINC001174284853 1286956994 /nfs/dbraw/zinc/95/69/94/1286956994.db2.gz AJRXQNWWHMXIFC-UHFFFAOYSA-N -1 0 337.426 2.756 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814717631 1286961151 /nfs/dbraw/zinc/96/11/51/1286961151.db2.gz NZINNPYCHMKFKF-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM CC(=NNC(=S)Nc1cccnc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814720568 1286964100 /nfs/dbraw/zinc/96/41/00/1286964100.db2.gz NDQTWGUOMKWHHX-YPMHNXCESA-N -1 0 334.445 2.881 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNC(=S)Nc1cccnc1 ZINC000814720275 1286965690 /nfs/dbraw/zinc/96/56/90/1286965690.db2.gz KBWPGRRWJHJBIE-UHFFFAOYSA-N -1 0 328.397 2.717 20 30 EFEDRM CCCN1C(=O)C(=NN=Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000814738036 1286982059 /nfs/dbraw/zinc/98/20/59/1286982059.db2.gz QCEPGLIMRVHEDL-UHFFFAOYSA-N -1 0 335.363 2.965 20 30 EFEDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(Cl)c(C#N)c2)cc1 ZINC001174403231 1286990268 /nfs/dbraw/zinc/99/02/68/1286990268.db2.gz HTNBVCPEWMDPKL-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM CC(=NNC(=S)NC(C)(C)C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814750738 1286994031 /nfs/dbraw/zinc/99/40/31/1286994031.db2.gz XLQIMYZJEVQLQM-LLVKDONJSA-N -1 0 337.445 2.525 20 30 EFEDRM N#Cc1cc(Nc2ccc(CN3CCOCC3)cc2)c([O-])cc1F ZINC001174448613 1287022257 /nfs/dbraw/zinc/02/22/57/1287022257.db2.gz POLMPRGCFGMYHF-UHFFFAOYSA-N -1 0 327.359 2.979 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)NCCc1cccs1 ZINC000814793475 1287022299 /nfs/dbraw/zinc/02/22/99/1287022299.db2.gz RJYBTVRFICGZLO-UHFFFAOYSA-N -1 0 339.486 2.776 20 30 EFEDRM COc1cc(C(C)N=Nc2cnccn2)ccc1OCCCC(=O)[O-] ZINC000814797378 1287027542 /nfs/dbraw/zinc/02/75/42/1287027542.db2.gz MEKILSJOJVPPDP-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM COc1cc(C(C)N=Nc2ncccn2)ccc1OCCCC(=O)[O-] ZINC000814797298 1287028307 /nfs/dbraw/zinc/02/83/07/1287028307.db2.gz FWQQYZBJIBEIMU-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM COc1ccnc(N=NC2CC(C(=O)[O-])(c3cccc(Cl)c3)C2)n1 ZINC000814798295 1287028442 /nfs/dbraw/zinc/02/84/42/1287028442.db2.gz BFGIBYSQFVQQBK-UHFFFAOYSA-N -1 0 346.774 2.723 20 30 EFEDRM CC1(C)CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C1 ZINC000814800722 1287029547 /nfs/dbraw/zinc/02/95/47/1287029547.db2.gz JMUIOVJHBKVNDD-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM CSCc1cnc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000814780733 1287033742 /nfs/dbraw/zinc/03/37/42/1287033742.db2.gz HFIYIOKYENWHEQ-UHFFFAOYSA-N -1 0 348.478 2.887 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)=NNC(=S)NCc1ccc(F)cc1 ZINC000814785793 1287036371 /nfs/dbraw/zinc/03/63/71/1287036371.db2.gz HLBMYKJPQSYLLD-UHFFFAOYSA-N -1 0 337.420 2.811 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)NCc1ccc(F)cc1 ZINC000814785933 1287036655 /nfs/dbraw/zinc/03/66/55/1287036655.db2.gz OAYHGVTZOIEEJH-PWSUYJOCSA-N -1 0 337.420 2.667 20 30 EFEDRM Cc1cc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)nc(C)n1 ZINC000814807318 1287076734 /nfs/dbraw/zinc/07/67/34/1287076734.db2.gz PJOMINMVFDQIHR-UHFFFAOYSA-N -1 0 342.399 2.977 20 30 EFEDRM CC(=NNC(=S)NCC1CCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814833398 1287081322 /nfs/dbraw/zinc/08/13/22/1287081322.db2.gz IAZHTRGJVZSJEG-OLZOCXBDSA-N -1 0 325.478 2.764 20 30 EFEDRM Cc1cc(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)ncn1 ZINC000814846217 1287096655 /nfs/dbraw/zinc/09/66/55/1287096655.db2.gz JQYAVDXZEDTFHQ-UHFFFAOYSA-N -1 0 328.372 2.865 20 30 EFEDRM CC(=NN=C(C)c1cnccn1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814860459 1287104453 /nfs/dbraw/zinc/10/44/53/1287104453.db2.gz HERDQKJBZBBEHG-ZDUSSCGKSA-N -1 0 326.356 2.562 20 30 EFEDRM CC(=NNC(=S)N[C@@H](C)C1CC1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814866109 1287108140 /nfs/dbraw/zinc/10/81/40/1287108140.db2.gz JILNDXHKDASHRX-JQWIXIFHSA-N -1 0 349.456 2.525 20 30 EFEDRM C[C@H](NC(=S)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C)C1CC1 ZINC000814865926 1287110204 /nfs/dbraw/zinc/11/02/04/1287110204.db2.gz CQYCNQKJDJYRLZ-NHCYSSNCSA-N -1 0 325.478 2.762 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1csc(C(=O)[O-])c1 ZINC000814869097 1287110254 /nfs/dbraw/zinc/11/02/54/1287110254.db2.gz RPSDUPMAUZEZGO-UHFFFAOYSA-N -1 0 328.353 2.931 20 30 EFEDRM CC(CCCCCCC(=O)[O-])N=Nc1nccc(N2CCOCC2)n1 ZINC000814871645 1287111280 /nfs/dbraw/zinc/11/12/80/1287111280.db2.gz YSKMVIFDCCWQQK-UHFFFAOYSA-N -1 0 349.435 2.526 20 30 EFEDRM CC(N=Nc1ncccc1[N+](=O)[O-])c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814870433 1287111861 /nfs/dbraw/zinc/11/18/61/1287111861.db2.gz CCJCEXYDGMPOOU-NSHDSACASA-N -1 0 344.327 2.678 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2csc(C(=O)[O-])c2)n1 ZINC000814872205 1287113974 /nfs/dbraw/zinc/11/39/74/1287113974.db2.gz UTRUONAGMJSYQJ-UHFFFAOYSA-N -1 0 333.417 2.919 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174686564 1287114765 /nfs/dbraw/zinc/11/47/65/1287114765.db2.gz RHSYOLMFVZPZMO-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c(Cl)nc(Cl)n1C ZINC000814886910 1287129440 /nfs/dbraw/zinc/12/94/40/1287129440.db2.gz JTALVRCICCLZDY-UHFFFAOYSA-N -1 0 343.170 2.880 20 30 EFEDRM COc1cccc(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)n1 ZINC000814900088 1287141401 /nfs/dbraw/zinc/14/14/01/1287141401.db2.gz CSWLAWXZXYIPJU-GFCCVEGCSA-N -1 0 329.356 2.778 20 30 EFEDRM C[C@H]1C(=NNCCC(=O)OC(C)(C)C)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814901779 1287142021 /nfs/dbraw/zinc/14/20/21/1287142021.db2.gz XBKCSRSQONPJHA-RYUDHWBXSA-N -1 0 326.437 2.821 20 30 EFEDRM CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814908807 1287147051 /nfs/dbraw/zinc/14/70/51/1287147051.db2.gz TYJTUAYMOZUYST-ZFWWWQNUSA-N -1 0 334.416 2.810 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2ccccn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814882121 1287152368 /nfs/dbraw/zinc/15/23/68/1287152368.db2.gz DODBSBDADQEORE-GHMZBOCLSA-N -1 0 334.445 2.881 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2ccccn2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814882125 1287152707 /nfs/dbraw/zinc/15/27/07/1287152707.db2.gz DODBSBDADQEORE-WDEREUQCSA-N -1 0 334.445 2.881 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNC[C@@H]1CCSC1 ZINC000814935261 1287165571 /nfs/dbraw/zinc/16/55/71/1287165571.db2.gz JWPSZGGTHDDVBM-HNNXBMFYSA-N -1 0 336.457 2.801 20 30 EFEDRM CC[C@@H](NN=Cc1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)[O-] ZINC000814936691 1287166401 /nfs/dbraw/zinc/16/64/01/1287166401.db2.gz GEGXJODYCSOIPO-SNVBAGLBSA-N -1 0 341.198 2.966 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOC[C@@H]1CCOC1 ZINC000814912335 1287172824 /nfs/dbraw/zinc/17/28/24/1287172824.db2.gz PUPXZIYBLKSNCU-GOEBONIOSA-N -1 0 335.400 2.900 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000814911202 1287173048 /nfs/dbraw/zinc/17/30/48/1287173048.db2.gz WWXJZIHKZWBLKA-VHSXEESVSA-N -1 0 331.401 2.889 20 30 EFEDRM O=C([O-])CNN=Cc1sc(Sc2ccccc2)nc1Cl ZINC000814957323 1287187203 /nfs/dbraw/zinc/18/72/03/1287187203.db2.gz ZANUZIPLJXMAIC-UHFFFAOYSA-N -1 0 327.818 2.956 20 30 EFEDRM O=C([O-])CNN=Cc1csc(-c2cccc(Br)c2)n1 ZINC000814959870 1287187397 /nfs/dbraw/zinc/18/73/97/1287187397.db2.gz FZAMJQXRHVENCT-UHFFFAOYSA-N -1 0 340.202 2.581 20 30 EFEDRM CC(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)=NNCC(=O)[O-] ZINC000814960607 1287188061 /nfs/dbraw/zinc/18/80/61/1287188061.db2.gz UMLUTYYQQDANLU-ZDUSSCGKSA-N -1 0 327.425 2.606 20 30 EFEDRM O=C([O-])CNN=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000814959151 1287188254 /nfs/dbraw/zinc/18/82/54/1287188254.db2.gz PXWJCTDJKXXGQW-SNVBAGLBSA-N -1 0 344.211 2.567 20 30 EFEDRM COc1ccc(-c2nc3c(s2)C(=NNCC(=O)[O-])CCC3)cc1 ZINC000814960268 1287188828 /nfs/dbraw/zinc/18/88/28/1287188828.db2.gz JKJDZWJMOXYJCR-UHFFFAOYSA-N -1 0 331.397 2.533 20 30 EFEDRM O=C([O-])CNN=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000814959150 1287188839 /nfs/dbraw/zinc/18/88/39/1287188839.db2.gz PXWJCTDJKXXGQW-JTQLQIEISA-N -1 0 344.211 2.567 20 30 EFEDRM CC(=NNc1cnnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000814982411 1287204930 /nfs/dbraw/zinc/20/49/30/1287204930.db2.gz ZETNSOYPGYCIQS-UHFFFAOYSA-N -1 0 344.600 2.773 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1 ZINC000815790023 1287838285 /nfs/dbraw/zinc/83/82/85/1287838285.db2.gz VEMHRGPENHEYPA-SFHVURJKSA-N -1 0 349.390 2.738 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000815877945 1287865261 /nfs/dbraw/zinc/86/52/61/1287865261.db2.gz MYKAZDCXQXAQSL-BNOWGMLFSA-N -1 0 343.383 2.600 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Br ZINC000815909383 1287879221 /nfs/dbraw/zinc/87/92/21/1287879221.db2.gz YMXSTFJCOOTNCM-MRVPVSSYSA-N -1 0 341.230 2.674 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ncoc1C1CC1 ZINC000815909286 1287879486 /nfs/dbraw/zinc/87/94/86/1287879486.db2.gz WKPOZRQMGNVVRQ-LBPRGKRZSA-N -1 0 339.351 2.912 20 30 EFEDRM COC(=O)c1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c[nH]1 ZINC000815899670 1287889046 /nfs/dbraw/zinc/88/90/46/1287889046.db2.gz YNDFPTWYAKHVTA-ZDUSSCGKSA-N -1 0 349.346 2.796 20 30 EFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000815940978 1287900436 /nfs/dbraw/zinc/90/04/36/1287900436.db2.gz MPKOKWCLABRRMO-UHFFFAOYSA-N -1 0 340.832 2.843 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815912967 1287905146 /nfs/dbraw/zinc/90/51/46/1287905146.db2.gz DRMCCAWXEKNSFH-NSHDSACASA-N -1 0 340.301 2.808 20 30 EFEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)nc1 ZINC000815912931 1287905473 /nfs/dbraw/zinc/90/54/73/1287905473.db2.gz DAKQBYAVGGAKGO-CQSZACIVSA-N -1 0 329.400 2.640 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(F)ccc2Cl)CCCC1 ZINC000816008645 1287933283 /nfs/dbraw/zinc/93/32/83/1287933283.db2.gz AMBPEMLMRHJBEX-UHFFFAOYSA-N -1 0 344.795 2.623 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000816035243 1287949194 /nfs/dbraw/zinc/94/91/94/1287949194.db2.gz GBFIAGFJNQHAGB-UHFFFAOYSA-N -1 0 325.336 2.856 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1nc(C)oc1C)c1ccccc1 ZINC000816038600 1287949487 /nfs/dbraw/zinc/94/94/87/1287949487.db2.gz BQFYANJCQSYGGN-LSDHHAIUSA-N -1 0 325.368 2.881 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C)c1ccccc1 ZINC000816039549 1287949586 /nfs/dbraw/zinc/94/95/86/1287949586.db2.gz ZARPPVKQKKANNH-IAGOWNOFSA-N -1 0 346.390 2.852 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1nc(C)oc1C)c1ccccc1 ZINC000816038598 1287949640 /nfs/dbraw/zinc/94/96/40/1287949640.db2.gz BQFYANJCQSYGGN-GJZGRUSLSA-N -1 0 325.368 2.881 20 30 EFEDRM N#Cc1cc(NC(=O)CSc2cncc(Cl)n2)c([O-])cc1F ZINC001177471182 1288433490 /nfs/dbraw/zinc/43/34/90/1288433490.db2.gz WYOHQRMKLJCRLY-UHFFFAOYSA-N -1 0 338.751 2.577 20 30 EFEDRM O=C(C#Cc1ccccn1)Nc1ccc(F)c(Br)c1[O-] ZINC001177804447 1288552971 /nfs/dbraw/zinc/55/29/71/1288552971.db2.gz TXWHAHRWCIXHHO-UHFFFAOYSA-N -1 0 335.132 2.679 20 30 EFEDRM CCC(=NN[C@@H]1CCC[C@H]1O)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000817338860 1288559817 /nfs/dbraw/zinc/55/98/17/1288559817.db2.gz MQAFEHKTMZMRCE-QZTJIDSGSA-N -1 0 348.443 2.937 20 30 EFEDRM C#CC[C@]1(C(=O)[N-]OCCC2CC2)CCCN1C(=O)OC(C)(C)C ZINC000817392796 1288581433 /nfs/dbraw/zinc/58/14/33/1288581433.db2.gz ASAGDBVGUGMFDA-GOSISDBHSA-N -1 0 336.432 2.627 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794723958 1303025929 /nfs/dbraw/zinc/02/59/29/1303025929.db2.gz ALPULIUNXNAEDQ-KTAJNNJTSA-N -1 0 340.291 2.527 20 30 EFEDRM C=C(C)C(C)(C)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000821452045 1288722638 /nfs/dbraw/zinc/72/26/38/1288722638.db2.gz LOFPBSUYXRZXHM-UHFFFAOYSA-N -1 0 332.352 2.599 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCC1 ZINC000821984524 1288840970 /nfs/dbraw/zinc/84/09/70/1288840970.db2.gz HXAHKOJWLRQJJY-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM N#Cc1cc(Cl)ccc1CN1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001232609099 1312743461 /nfs/dbraw/zinc/74/34/61/1312743461.db2.gz KMDWXQXRQJLUGS-UHFFFAOYSA-N -1 0 345.752 2.855 20 30 EFEDRM CC(C)COc1ncccc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000091699016 1290333382 /nfs/dbraw/zinc/33/33/82/1290333382.db2.gz ANRCKZXDRANFLW-UHFFFAOYSA-N -1 0 326.418 2.693 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC34CCC4)cc2[n-]c1=S ZINC000874788270 1290367038 /nfs/dbraw/zinc/36/70/38/1290367038.db2.gz JPUYGJUUOVSVLC-CQSZACIVSA-N -1 0 341.436 2.544 20 30 EFEDRM C=CCN(C(=O)COc1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC001183907461 1290406964 /nfs/dbraw/zinc/40/69/64/1290406964.db2.gz UXDBBSPRJQITQT-UHFFFAOYSA-N -1 0 347.411 2.876 20 30 EFEDRM C=CCN(CC(=O)OCC)Cc1cccc(Br)c1[O-] ZINC000091773463 1290428452 /nfs/dbraw/zinc/42/84/52/1290428452.db2.gz FDSOBACKJZBAJJ-UHFFFAOYSA-N -1 0 328.206 2.706 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C#N ZINC001184696871 1290494593 /nfs/dbraw/zinc/49/45/93/1290494593.db2.gz JZWTZCIVYGVHRF-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cccc(-n2cnc(C(=O)Nc3cc(C#N)c(F)cc3[O-])n2)c1 ZINC001184699961 1290495434 /nfs/dbraw/zinc/49/54/34/1290495434.db2.gz CORAFMFLUGSXMF-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM N#Cc1c(Cl)cc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)nc1Cl ZINC001184796289 1290524340 /nfs/dbraw/zinc/52/43/40/1290524340.db2.gz QJWMWVWZUDDWOC-UHFFFAOYSA-N -1 0 344.545 2.661 20 30 EFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c(Br)c1 ZINC000125430398 1290529368 /nfs/dbraw/zinc/52/93/68/1290529368.db2.gz SGJTWXNTZUAAJD-UHFFFAOYSA-N -1 0 346.246 2.837 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185350546 1290647856 /nfs/dbraw/zinc/64/78/56/1290647856.db2.gz GGRYCRLAYUPXOF-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccsc2)c(C#N)c1C ZINC001185342154 1290659181 /nfs/dbraw/zinc/65/91/81/1290659181.db2.gz SOTSKVBBERBXHQ-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c(C(C)(C)C)n1 ZINC000092313941 1290676149 /nfs/dbraw/zinc/67/61/49/1290676149.db2.gz NGCVHJLAFJVLFR-UHFFFAOYSA-N -1 0 339.392 2.550 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001185795204 1290765513 /nfs/dbraw/zinc/76/55/13/1290765513.db2.gz GYOYTDUSMCCECR-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM CCc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185906179 1290782724 /nfs/dbraw/zinc/78/27/24/1290782724.db2.gz MTSRTMLJAWHYQF-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM N#Cc1ccc(N2CCCN(C(=O)c3cccc([S-])c3)CC2)nc1 ZINC001186148249 1290882472 /nfs/dbraw/zinc/88/24/72/1290882472.db2.gz AVUHQRQBHBMCSO-UHFFFAOYSA-N -1 0 338.436 2.594 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CC2)nc1C ZINC000092718037 1290893694 /nfs/dbraw/zinc/89/36/94/1290893694.db2.gz DGTHSVAAFYCHPF-UHFFFAOYSA-N -1 0 347.440 2.880 20 30 EFEDRM CCn1nnc(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498004 1290931846 /nfs/dbraw/zinc/93/18/46/1290931846.db2.gz KZNWXTPKPGEPNI-FPLPWBNLSA-N -1 0 343.383 2.988 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000093242061 1291082744 /nfs/dbraw/zinc/08/27/44/1291082744.db2.gz CVYHHCPLKPOQRG-UHFFFAOYSA-N -1 0 334.397 2.791 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000093241622 1291082757 /nfs/dbraw/zinc/08/27/57/1291082757.db2.gz ZQQWSLBAYLIQRL-UHFFFAOYSA-N -1 0 340.788 2.827 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H](O)CCCc2ccccc2)c([O-])cc1F ZINC001187054942 1291085949 /nfs/dbraw/zinc/08/59/49/1291085949.db2.gz XQAHDPFGSJVFTK-INIZCTEOSA-N -1 0 328.343 2.725 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O ZINC001187994132 1291280859 /nfs/dbraw/zinc/28/08/59/1291280859.db2.gz FZJBTZPDCYZVCW-UHFFFAOYSA-N -1 0 347.868 2.936 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ncccc1C(=O)OC ZINC001187992983 1291281159 /nfs/dbraw/zinc/28/11/59/1291281159.db2.gz CHDVKLIJUGQSII-UHFFFAOYSA-N -1 0 328.434 2.970 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1c(C)noc1C(=O)OC ZINC001187994329 1291281416 /nfs/dbraw/zinc/28/14/16/1291281416.db2.gz IPKGOMNQHCSLKX-UHFFFAOYSA-N -1 0 332.422 2.872 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188040057 1291285985 /nfs/dbraw/zinc/28/59/85/1291285985.db2.gz PNJLQYIBTGOWOJ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189108951 1291571792 /nfs/dbraw/zinc/57/17/92/1291571792.db2.gz OEGZMQOEEAGQCE-UHFFFAOYSA-N -1 0 336.800 2.902 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c1 ZINC001189202350 1291611196 /nfs/dbraw/zinc/61/11/96/1291611196.db2.gz JNESKTBNQNXOMC-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)c1 ZINC001189202050 1291611557 /nfs/dbraw/zinc/61/15/57/1291611557.db2.gz FBCROVIVSMEWJU-UHFFFAOYSA-N -1 0 349.799 2.919 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C#N)c1 ZINC001189229214 1291622121 /nfs/dbraw/zinc/62/21/21/1291622121.db2.gz AVVAEQQMPUDPIW-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)nsc2C)n1 ZINC000795930383 1291712452 /nfs/dbraw/zinc/71/24/52/1291712452.db2.gz HIYGCMACDQFLOO-JTQLQIEISA-N -1 0 335.410 2.558 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)nsc2C)n1 ZINC000795930408 1291712753 /nfs/dbraw/zinc/71/27/53/1291712753.db2.gz HIYGCMACDQFLOO-SNVBAGLBSA-N -1 0 335.410 2.558 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(C#N)c1C ZINC001189417162 1291718510 /nfs/dbraw/zinc/71/85/10/1291718510.db2.gz OGQIFLRFMUQRJJ-UHFFFAOYSA-N -1 0 326.324 2.988 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189425157 1291721525 /nfs/dbraw/zinc/72/15/25/1291721525.db2.gz CDLYBQVGHQRKGH-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)c1 ZINC001189586234 1291771851 /nfs/dbraw/zinc/77/18/51/1291771851.db2.gz OOHYUHWVGGXSAG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1sc(C2CCCCC2)nc1C ZINC000775276462 1291790087 /nfs/dbraw/zinc/79/00/87/1291790087.db2.gz SNKLLDLZYFGQTB-UHFFFAOYSA-N -1 0 328.459 2.745 20 30 EFEDRM N#Cc1c(NC(=O)c2ccccc2S(=O)(=O)[O-])sc2c1CCC2 ZINC001189667499 1291793320 /nfs/dbraw/zinc/79/33/20/1291793320.db2.gz KUKCRLYNGBRPDS-UHFFFAOYSA-N -1 0 348.405 2.607 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189689675 1291813295 /nfs/dbraw/zinc/81/32/95/1291813295.db2.gz FRCZHRYDVMATHU-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1)OCC ZINC000775291596 1291818820 /nfs/dbraw/zinc/81/88/20/1291818820.db2.gz AOFXYXDGHLGMAP-LBPRGKRZSA-N -1 0 331.459 2.541 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000775295402 1291821369 /nfs/dbraw/zinc/82/13/69/1291821369.db2.gz ISXUWFVJZWQFEH-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000775295385 1291822585 /nfs/dbraw/zinc/82/25/85/1291822585.db2.gz HNFSBIOMXMHPDB-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000775296505 1291824265 /nfs/dbraw/zinc/82/42/65/1291824265.db2.gz WEBMMDIPEOJWNJ-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM CC(C)CCOc1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000878855388 1291825887 /nfs/dbraw/zinc/82/58/87/1291825887.db2.gz JIVPDFCLZNAEJU-OAHLLOKOSA-N -1 0 335.404 2.613 20 30 EFEDRM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCN(O)C1=O ZINC000878858388 1291828260 /nfs/dbraw/zinc/82/82/60/1291828260.db2.gz UGWXCAOGDXCYKZ-SNVBAGLBSA-N -1 0 331.294 2.516 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2C#N)sc1C ZINC000775289924 1291831208 /nfs/dbraw/zinc/83/12/08/1291831208.db2.gz BNVFBZCOMYCZSI-BQYQJAHWSA-N -1 0 346.433 2.755 20 30 EFEDRM CC[C@H](C#N)Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000127378524 1291833898 /nfs/dbraw/zinc/83/38/98/1291833898.db2.gz IJNKLURGIOBNNK-GFCCVEGCSA-N -1 0 326.381 2.711 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189813704 1291875826 /nfs/dbraw/zinc/87/58/26/1291875826.db2.gz FFEUDMBCGOKIMA-UHFFFAOYSA-N -1 0 326.299 2.917 20 30 EFEDRM N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)CCCF ZINC001189915678 1291915750 /nfs/dbraw/zinc/91/57/50/1291915750.db2.gz LZTPCWMPQDAJQL-UHFFFAOYSA-N -1 0 339.161 2.561 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2Cc3ccc(F)cc32)n1 ZINC000796069410 1291922172 /nfs/dbraw/zinc/92/21/72/1291922172.db2.gz WRWMFYDDGRXXAK-KGLIPLIRSA-N -1 0 344.367 2.650 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189958327 1291947796 /nfs/dbraw/zinc/94/77/96/1291947796.db2.gz ZBNLBPGLONBKQP-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2cncc(C)c2)n1 ZINC000796111195 1291982545 /nfs/dbraw/zinc/98/25/45/1291982545.db2.gz WDJFLOOQGUDYHP-CQSZACIVSA-N -1 0 343.408 2.507 20 30 EFEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190143721 1292001721 /nfs/dbraw/zinc/00/17/21/1292001721.db2.gz VLRVSGDRHARGBL-UHFFFAOYSA-N -1 0 335.291 2.778 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190391166 1292144993 /nfs/dbraw/zinc/14/49/93/1292144993.db2.gz RPWMJWBQSNSIIG-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#CCc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190392688 1292146624 /nfs/dbraw/zinc/14/66/24/1292146624.db2.gz XXYOHWYQYXBCRU-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(Cl)cc2F)c1 ZINC001190616205 1292226072 /nfs/dbraw/zinc/22/60/72/1292226072.db2.gz KWNKVVYZKCEQPB-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cnc1Cl ZINC001190617830 1292227853 /nfs/dbraw/zinc/22/78/53/1292227853.db2.gz RVVKHSHXBWHRGT-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(Cl)n1 ZINC001190619259 1292228150 /nfs/dbraw/zinc/22/81/50/1292228150.db2.gz CTPWLBSDIOYTBF-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190619373 1292228184 /nfs/dbraw/zinc/22/81/84/1292228184.db2.gz JIPQTBFYYXVNDH-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1Cl ZINC001190617409 1292228341 /nfs/dbraw/zinc/22/83/41/1292228341.db2.gz JVXRZAIXNTWGIA-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)c1 ZINC001190617977 1292228848 /nfs/dbraw/zinc/22/88/48/1292228848.db2.gz XIUQDRKBSJPEPJ-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC001190617873 1292229340 /nfs/dbraw/zinc/22/93/40/1292229340.db2.gz UKCCWWZHRFYAEH-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc2o1 ZINC001190647887 1292263630 /nfs/dbraw/zinc/26/36/30/1292263630.db2.gz LRXHGBZUPRNJPN-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(OC)c1 ZINC001190651023 1292264508 /nfs/dbraw/zinc/26/45/08/1292264508.db2.gz SSZPGNDXENJJRV-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCn1cc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3F)ccc2n1 ZINC001190648210 1292265151 /nfs/dbraw/zinc/26/51/51/1292265151.db2.gz WPWMYOKKLGIOAC-UHFFFAOYSA-N -1 0 344.371 2.868 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nc(C)c(Br)c(C)n2)CC1 ZINC001190766318 1292305464 /nfs/dbraw/zinc/30/54/64/1292305464.db2.gz PYKZAOIHFJAQAR-UHFFFAOYSA-N -1 0 346.250 2.706 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(C(C)(C)C)sc2C(N)=O)CC1 ZINC001190773124 1292308231 /nfs/dbraw/zinc/30/82/31/1292308231.db2.gz SZLHLEGQKSYLRK-UHFFFAOYSA-N -1 0 342.486 2.995 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(OC)cc(OC)cc2OC)CC1 ZINC001190814081 1292345893 /nfs/dbraw/zinc/34/58/93/1292345893.db2.gz XSXXWDRDRYFTNG-UHFFFAOYSA-N -1 0 327.402 2.563 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190887506 1292364787 /nfs/dbraw/zinc/36/47/87/1292364787.db2.gz MMROXJOPCHJFNO-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190893630 1292367854 /nfs/dbraw/zinc/36/78/54/1292367854.db2.gz NTQWKWSNBOJRCG-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)on1 ZINC001190932457 1292374196 /nfs/dbraw/zinc/37/41/96/1292374196.db2.gz IUXFPBVKJPVENB-UHFFFAOYSA-N -1 0 325.777 2.953 20 30 EFEDRM CC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937788 1292377492 /nfs/dbraw/zinc/37/74/92/1292377492.db2.gz VYPYQHKILZOIAZ-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)nc(F)c2)c1 ZINC001190939059 1292377590 /nfs/dbraw/zinc/37/75/90/1292377590.db2.gz MQUGJSITHAAWKH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2noc3cnccc23)c1 ZINC001190939295 1292378124 /nfs/dbraw/zinc/37/81/24/1292378124.db2.gz ZCWPQOWVLQWJIB-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ncc2O)c1 ZINC001190939147 1292378382 /nfs/dbraw/zinc/37/83/82/1292378382.db2.gz QPCFMALDWIEXRY-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM Cc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937079 1292378727 /nfs/dbraw/zinc/37/87/27/1292378727.db2.gz BOVSXGVGXNTVEY-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ncc1C ZINC001190942806 1292380087 /nfs/dbraw/zinc/38/00/87/1292380087.db2.gz OOYVTKREDWGCNY-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(O)c2)c1 ZINC001190971311 1292406024 /nfs/dbraw/zinc/40/60/24/1292406024.db2.gz HBAWSYQFHJSILG-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc(CO)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190981860 1292410576 /nfs/dbraw/zinc/41/05/76/1292410576.db2.gz RVYYIXLHKKDJCD-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2csc(C#N)c2)cc1 ZINC001191413823 1292537383 /nfs/dbraw/zinc/53/73/83/1292537383.db2.gz LVVHEPDRGFCLEC-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114618365 1312934551 /nfs/dbraw/zinc/93/45/51/1312934551.db2.gz WKOBCYUQNAVQSC-GFCCVEGCSA-N -1 0 329.743 2.596 20 30 EFEDRM O=S(=O)(CC1CCCC1)[N-]CC(F)(F)C(F)(F)C(F)(F)F ZINC001191538995 1292561612 /nfs/dbraw/zinc/56/16/12/1292561612.db2.gz DAHZRLUINHGSPW-UHFFFAOYSA-N -1 0 345.280 2.929 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1onc(C)c1C#N ZINC001191653196 1292605561 /nfs/dbraw/zinc/60/55/61/1292605561.db2.gz YGXBPRYAYBRLJR-UHFFFAOYSA-N -1 0 335.385 2.788 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2oncc2C#N)c1Cl ZINC001191728954 1292625520 /nfs/dbraw/zinc/62/55/20/1292625520.db2.gz OUMUQGFJSNUCBC-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)c1Cl ZINC001191730596 1292643787 /nfs/dbraw/zinc/64/37/87/1292643787.db2.gz HHBKTQVGSWBNKA-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM CC(C)C[C@](C)(C#N)NC(=O)c1nc(Br)ccc1[O-] ZINC001191749205 1292647820 /nfs/dbraw/zinc/64/78/20/1292647820.db2.gz NUHOWTQPAPLDFO-CYBMUJFWSA-N -1 0 326.194 2.608 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(C#N)c1 ZINC001192032772 1292755737 /nfs/dbraw/zinc/75/57/37/1292755737.db2.gz YQEWTZDQLHJVMC-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2noc3nccnc23)c(C(F)(F)F)c1 ZINC001192077627 1292760837 /nfs/dbraw/zinc/76/08/37/1292760837.db2.gz PFBYCOXPEQHGAK-UHFFFAOYSA-N -1 0 333.229 2.761 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1F ZINC001192139128 1292807726 /nfs/dbraw/zinc/80/77/26/1292807726.db2.gz GBEKBBUFQAUDAN-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1C#N ZINC001192540496 1292922079 /nfs/dbraw/zinc/92/20/79/1292922079.db2.gz NIHSWJMDDCNWSI-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1n[n-]c(=O)cc1Cl ZINC001233591494 1312963734 /nfs/dbraw/zinc/96/37/34/1312963734.db2.gz XRNFHOHUASHWPX-JTQLQIEISA-N -1 0 325.151 2.949 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)ccc1C#N ZINC001192571572 1292953152 /nfs/dbraw/zinc/95/31/52/1292953152.db2.gz JIEORWINFUUUDV-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2c(F)ccc(F)c2[O-])c1 ZINC001192716592 1293019513 /nfs/dbraw/zinc/01/95/13/1293019513.db2.gz UHLBGMXSFBARIC-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000129293916 1293038517 /nfs/dbraw/zinc/03/85/17/1293038517.db2.gz BFQGIYFXLQEVEG-KGLIPLIRSA-N -1 0 346.433 2.537 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192785549 1293038647 /nfs/dbraw/zinc/03/86/47/1293038647.db2.gz YOYSABQDXZFFHI-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(C2CCCC2)n1 ZINC000903632491 1312973444 /nfs/dbraw/zinc/97/34/44/1312973444.db2.gz SHSJOQIXCJYLAO-UHFFFAOYSA-N -1 0 348.403 2.889 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)ccc2C#N)c1 ZINC001192820986 1293064796 /nfs/dbraw/zinc/06/47/96/1293064796.db2.gz HSUDOCCGHBYDKY-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnccc2Cl)c2cccnc12 ZINC001192902950 1293093657 /nfs/dbraw/zinc/09/36/57/1293093657.db2.gz YFGIVEPMUWHRID-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192900622 1293094509 /nfs/dbraw/zinc/09/45/09/1293094509.db2.gz MFTAEAGVXDJWBR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COC(=O)c1sc2ccc(Cl)cc2c1[N-]S(=O)(=O)CC#N ZINC001192943069 1293104444 /nfs/dbraw/zinc/10/44/44/1293104444.db2.gz IWBYNTVGYALNKM-UHFFFAOYSA-N -1 0 344.801 2.607 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)CC#N)c1 ZINC001192982241 1293116150 /nfs/dbraw/zinc/11/61/50/1293116150.db2.gz LGPGRIHGECBAIB-UHFFFAOYSA-N -1 0 345.808 2.952 20 30 EFEDRM COC(=O)c1ccc(C2CCCCC2)c([N-]S(=O)(=O)CC#N)c1 ZINC001192988935 1293119842 /nfs/dbraw/zinc/11/98/42/1293119842.db2.gz UWBYTRGQKKWHFB-UHFFFAOYSA-N -1 0 336.413 2.786 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001192980010 1293132170 /nfs/dbraw/zinc/13/21/70/1293132170.db2.gz AGVKAJOKSSBLPE-UHFFFAOYSA-N -1 0 334.784 2.836 20 30 EFEDRM C#CCCC1(CCNC(=O)c2cc(Cl)nc(Cl)c2[O-])N=N1 ZINC001193099142 1293168360 /nfs/dbraw/zinc/16/83/60/1293168360.db2.gz XDWMLSZELASBBN-UHFFFAOYSA-N -1 0 327.171 2.789 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2F)nc1 ZINC001193104464 1293170841 /nfs/dbraw/zinc/17/08/41/1293170841.db2.gz IVEUYZSGNRJHHA-VIFPVBQESA-N -1 0 339.323 2.806 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccnc2c(Br)cccc12 ZINC001193107266 1293171413 /nfs/dbraw/zinc/17/14/13/1293171413.db2.gz SEHFHXVXVIIIIH-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1nc2ccc(Br)cc2s1 ZINC001193106731 1293171640 /nfs/dbraw/zinc/17/16/40/1293171640.db2.gz WKDYFNVWYCRYQU-LURJTMIESA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C#Cc1ccc(F)cc1 ZINC001193149408 1293187344 /nfs/dbraw/zinc/18/73/44/1293187344.db2.gz NVYMWDYNPYPJTM-ZDUSSCGKSA-N -1 0 328.368 2.879 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C#Cc1ccc(F)cc1 ZINC001193149399 1293187645 /nfs/dbraw/zinc/18/76/45/1293187645.db2.gz NVYMWDYNPYPJTM-CYBMUJFWSA-N -1 0 328.368 2.879 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2sc(C(F)(F)F)nc2c1 ZINC001193159032 1293189864 /nfs/dbraw/zinc/18/98/64/1293189864.db2.gz YYYJABTUSNEOCL-LURJTMIESA-N -1 0 335.332 2.969 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2sc(Br)nc21 ZINC001193161800 1293190031 /nfs/dbraw/zinc/19/00/31/1293190031.db2.gz SVERLGDESCTQQH-ZCFIWIBFSA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(OCC2CCC2)c(F)c1 ZINC001193161802 1293190421 /nfs/dbraw/zinc/19/04/21/1293190421.db2.gz SVYFJJGRZMLFBG-VIFPVBQESA-N -1 0 330.356 2.797 20 30 EFEDRM N#Cc1c(F)cc([N-]c2nonc2-c2cn3ccncc3n2)cc1F ZINC001203674387 1312986999 /nfs/dbraw/zinc/98/69/99/1312986999.db2.gz XXWAIXNSUAKNSY-UHFFFAOYSA-N -1 0 339.265 2.673 20 30 EFEDRM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1cc(=O)[nH][n-]1 ZINC001193475688 1293317054 /nfs/dbraw/zinc/31/70/54/1293317054.db2.gz MLLIPHIEWAKZEN-UHFFFAOYSA-N -1 0 331.331 2.610 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000130158468 1293325148 /nfs/dbraw/zinc/32/51/48/1293325148.db2.gz ZFWQJNYFJMHFPQ-YCRREMRBSA-N -1 0 327.292 2.983 20 30 EFEDRM CCOC(=O)c1c(NC(=O)c2ccc([O-])c(C#N)c2)ccn1CC ZINC001193499851 1293327018 /nfs/dbraw/zinc/32/70/18/1293327018.db2.gz WKIRXPYNPCMFSN-UHFFFAOYSA-N -1 0 327.340 2.514 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(F)c(F)c(Cl)c2F)ccc1[O-] ZINC001193499131 1293327214 /nfs/dbraw/zinc/32/72/14/1293327214.db2.gz OYFPOODZQAPXLX-UHFFFAOYSA-N -1 0 327.649 2.982 20 30 EFEDRM Cc1ccc([C@@]2(C)CN(C(=O)c3ccc([O-])c(C#N)c3)CCO2)cc1 ZINC001193503800 1293335568 /nfs/dbraw/zinc/33/55/68/1293335568.db2.gz HAIFDWKDQAWZES-HXUWFJFHSA-N -1 0 336.391 2.960 20 30 EFEDRM COC(=O)Cc1c(F)ccc(NC(=O)c2ccc([O-])c(C#N)c2)c1F ZINC001193504826 1293335685 /nfs/dbraw/zinc/33/56/85/1293335685.db2.gz HBFNFVDXQGPVNK-UHFFFAOYSA-N -1 0 346.289 2.510 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(O)cc2Br)ccc1[O-] ZINC001193504847 1293336985 /nfs/dbraw/zinc/33/69/85/1293336985.db2.gz HEKFUCCQWAPTCQ-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM CCCC[C@](CC)(NC(=O)c1ccc([O-])c(C#N)c1)C(=O)OCC ZINC001193515614 1293341703 /nfs/dbraw/zinc/34/17/03/1293341703.db2.gz PUQKCZHPSKZKPD-SFHVURJKSA-N -1 0 332.400 2.896 20 30 EFEDRM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193515481 1293341986 /nfs/dbraw/zinc/34/19/86/1293341986.db2.gz NSAAPMZUKRNHFH-HNNXBMFYSA-N -1 0 330.384 2.506 20 30 EFEDRM Cn1ccnc1S(=O)(=O)[N-]c1ccccc1-c1ccc(C#N)cc1 ZINC001193610269 1293363489 /nfs/dbraw/zinc/36/34/89/1293363489.db2.gz NARIBKXMIRQYTF-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2cc(O)c([O-])c(Cl)c2)c1 ZINC001193625818 1293373120 /nfs/dbraw/zinc/37/31/20/1293373120.db2.gz UKCOYDJWTWTYND-UHFFFAOYSA-N -1 0 346.726 2.662 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccnc(-c3cc(N)ccn3)c2)c1[O-] ZINC001193634723 1293377486 /nfs/dbraw/zinc/37/74/86/1293377486.db2.gz ICCNKYQSCFNHFB-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(F)c2OC)c1 ZINC001193636532 1293377827 /nfs/dbraw/zinc/37/78/27/1293377827.db2.gz UNMIKICWRRAKJQ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1 ZINC001193639936 1293379866 /nfs/dbraw/zinc/37/98/66/1293379866.db2.gz FLFRAKJULUTDFE-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC001193639709 1293380127 /nfs/dbraw/zinc/38/01/27/1293380127.db2.gz BBSWPOVVFDYAPJ-UHFFFAOYSA-N -1 0 347.421 2.918 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1 ZINC001193641469 1293380689 /nfs/dbraw/zinc/38/06/89/1293380689.db2.gz ZTMSNSSFNKNDIJ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)c1[O-] ZINC001193642648 1293380944 /nfs/dbraw/zinc/38/09/44/1293380944.db2.gz LLNOBVSXBOVMGG-UHFFFAOYSA-N -1 0 341.330 2.845 20 30 EFEDRM CC(C)(C)c1cnn2cc(NC(=O)c3cccc(C#N)c3[O-])cnc12 ZINC001193642150 1293381466 /nfs/dbraw/zinc/38/14/66/1293381466.db2.gz BTWJUONLQQUEKQ-UHFFFAOYSA-N -1 0 335.367 2.856 20 30 EFEDRM N#Cc1cccc(C(=O)N(Cc2cccnc2)Cc2ccccn2)c1[O-] ZINC001193644318 1293383404 /nfs/dbraw/zinc/38/34/04/1293383404.db2.gz UHVUKMGNBWKUFS-UHFFFAOYSA-N -1 0 344.374 2.896 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c1 ZINC001193644471 1293383596 /nfs/dbraw/zinc/38/35/96/1293383596.db2.gz HQWXAZTXYGNJGY-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C(C)C)n2)c1 ZINC001193645074 1293384031 /nfs/dbraw/zinc/38/40/31/1293384031.db2.gz WIBSNODMABOZNB-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC(=O)[C@H](C)O)c1 ZINC001233816471 1312998135 /nfs/dbraw/zinc/99/81/35/1312998135.db2.gz NDYVTURAVZUEBI-BCPZQOPPSA-N -1 0 342.347 2.583 20 30 EFEDRM N#Cc1cccc(C(=O)N(Cc2c[nH]cn2)Cc2ccccc2)c1[O-] ZINC001193646117 1293391078 /nfs/dbraw/zinc/39/10/78/1293391078.db2.gz CJPDHHQMIOBWNK-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC2CN(C)C2)c1 ZINC001233817664 1312998296 /nfs/dbraw/zinc/99/82/96/1312998296.db2.gz XFNMVVZLIRXVMQ-CMDGGOBGSA-N -1 0 339.391 2.990 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCc3nn(-c4ccccc4)cc3C2)c1[O-] ZINC001193646831 1293391986 /nfs/dbraw/zinc/39/19/86/1293391986.db2.gz ONUPAGPEVNDBEK-UHFFFAOYSA-N -1 0 344.374 2.648 20 30 EFEDRM N#Cc1cccc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1[O-] ZINC001193646981 1293392063 /nfs/dbraw/zinc/39/20/63/1293392063.db2.gz RTYFRFAGMSUDDJ-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(-n3ccccc3=O)cc2)c1[O-] ZINC001193653387 1293397659 /nfs/dbraw/zinc/39/76/59/1293397659.db2.gz YDUNMQMRYMAEKQ-UHFFFAOYSA-N -1 0 331.331 2.667 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnn2)c1[O-] ZINC001193658975 1293399292 /nfs/dbraw/zinc/39/92/92/1293399292.db2.gz IFTFQJAUJKJIHF-KRWDZBQOSA-N -1 0 330.347 2.573 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c1 ZINC001193687363 1293410644 /nfs/dbraw/zinc/41/06/44/1293410644.db2.gz AUUDDDHYMCAWRH-UHFFFAOYSA-N -1 0 349.318 2.518 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)c([O-])c2F)CC1 ZINC001193769650 1293441669 /nfs/dbraw/zinc/44/16/69/1293441669.db2.gz IJSVCYMBXVVSLR-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000079137271 1293475371 /nfs/dbraw/zinc/47/53/71/1293475371.db2.gz HHHBXTADCYVZIQ-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM C[C@](C#N)([N-]S(=O)(=O)CC(F)(F)F)c1ccccc1Cl ZINC001253224677 1293517930 /nfs/dbraw/zinc/51/79/30/1293517930.db2.gz VFDKQGGSJZZDJN-SNVBAGLBSA-N -1 0 326.727 2.560 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194091866 1293528859 /nfs/dbraw/zinc/52/88/59/1293528859.db2.gz KSZHTPOTDVRSTB-UHFFFAOYSA-N -1 0 343.364 2.650 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001194093422 1293529652 /nfs/dbraw/zinc/52/96/52/1293529652.db2.gz WUIGBRYABZPSHO-UHFFFAOYSA-N -1 0 338.348 2.513 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194100369 1293532340 /nfs/dbraw/zinc/53/23/40/1293532340.db2.gz DVIACGJYFUPDGD-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1C#N ZINC001194225898 1293561146 /nfs/dbraw/zinc/56/11/46/1293561146.db2.gz OLXUTRFACVCBCJ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccccc1 ZINC001194528970 1293658203 /nfs/dbraw/zinc/65/82/03/1293658203.db2.gz BRDPVFGXNFXQOA-LBPRGKRZSA-N -1 0 341.314 2.644 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)F)cc2)C(=O)O1 ZINC000132423536 1293662166 /nfs/dbraw/zinc/66/21/66/1293662166.db2.gz FSGGLYGYYUQAIN-RRGWEWPQSA-N -1 0 336.290 2.559 20 30 EFEDRM C[Si](C)(C)C#C[C@H](Oc1[nH]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233935410 1313020750 /nfs/dbraw/zinc/02/07/50/1313020750.db2.gz SDFLLGSBSYPTDZ-AWEZNQCLSA-N -1 0 338.443 2.647 20 30 EFEDRM COc1ncccc1S(=O)(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001194678759 1293695640 /nfs/dbraw/zinc/69/56/40/1293695640.db2.gz FQBLIZJDAYYNFG-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cnc2C#N)c(C)c1C ZINC001194838206 1293726675 /nfs/dbraw/zinc/72/66/75/1293726675.db2.gz YCEJHDQXLSCLJU-UHFFFAOYSA-N -1 0 345.424 2.996 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2cccc3nccnc32)c1C#N ZINC001194932878 1293761073 /nfs/dbraw/zinc/76/10/73/1293761073.db2.gz LJASYIVZGFXNRX-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)ccc1Cl ZINC001194978438 1293765268 /nfs/dbraw/zinc/76/52/68/1293765268.db2.gz ACQOMZUPEFRFFR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194978959 1293765318 /nfs/dbraw/zinc/76/53/18/1293765318.db2.gz TYSNHXNUXXDOJY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)cc(F)c1F ZINC001194981117 1293766159 /nfs/dbraw/zinc/76/61/59/1293766159.db2.gz NXBICRNDDOJJQH-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195038448 1293781211 /nfs/dbraw/zinc/78/12/11/1293781211.db2.gz VFEYRBKQRJANAT-UHFFFAOYSA-N -1 0 328.514 2.590 20 30 EFEDRM CCc1ncc(Br)c(C(=O)Nc2ccsc2C#N)n1 ZINC001195155179 1293832780 /nfs/dbraw/zinc/83/27/80/1293832780.db2.gz YXBMVXPUFPLRQS-UHFFFAOYSA-N -1 0 337.202 2.987 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1F ZINC001195310798 1293887949 /nfs/dbraw/zinc/88/79/49/1293887949.db2.gz HQDYMYGICBKIMO-UHFFFAOYSA-N -1 0 342.223 2.889 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1c(F)cncc1Cl ZINC001195467989 1293933909 /nfs/dbraw/zinc/93/39/09/1293933909.db2.gz FYLPNOQQGLPELS-UHFFFAOYSA-N -1 0 339.735 2.846 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccccc1 ZINC000133759030 1293992927 /nfs/dbraw/zinc/99/29/27/1293992927.db2.gz JGIXFTRIPVOZKA-CQSZACIVSA-N -1 0 347.440 2.629 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cn1 ZINC001195725091 1294002155 /nfs/dbraw/zinc/00/21/55/1294002155.db2.gz SMWIOJIRIOAWKL-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COCCCN(C(=O)c1ccc(C#N)cc1[O-])c1ccccc1N ZINC001195758228 1294014139 /nfs/dbraw/zinc/01/41/39/1294014139.db2.gz LIAVFFGRXGZVMY-UHFFFAOYSA-N -1 0 325.368 2.529 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c([O-])c1 ZINC001195758127 1294014326 /nfs/dbraw/zinc/01/43/26/1294014326.db2.gz JKVSRPULWVPKAD-UHFFFAOYSA-N -1 0 333.347 2.634 20 30 EFEDRM COc1cccc2c1SC[C@@H](NC(=O)c1ccc(C#N)cc1[O-])C2 ZINC001195768239 1294019607 /nfs/dbraw/zinc/01/96/07/1294019607.db2.gz KLOIIFLTHWOVEB-ZDUSSCGKSA-N -1 0 340.404 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H]2CCOc3c(F)cc(F)cc32)c([O-])c1 ZINC001195767816 1294019693 /nfs/dbraw/zinc/01/96/93/1294019693.db2.gz AFOFKWXHBCQHST-CQSZACIVSA-N -1 0 330.290 2.796 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2coc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC001195768936 1294021534 /nfs/dbraw/zinc/02/15/34/1294021534.db2.gz RGDZEDXSJICDRB-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c([O-])c1 ZINC001195740617 1294025237 /nfs/dbraw/zinc/02/52/37/1294025237.db2.gz BHEFUFOSRZUGLJ-AYBZRNKSSA-N -1 0 340.423 2.931 20 30 EFEDRM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1F ZINC001196236925 1294179707 /nfs/dbraw/zinc/17/97/07/1294179707.db2.gz JGTDNAIVLMIEKY-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196307145 1294184316 /nfs/dbraw/zinc/18/43/16/1294184316.db2.gz BOHYRPGWGGWEJM-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c(F)c1 ZINC001196356098 1294210279 /nfs/dbraw/zinc/21/02/79/1294210279.db2.gz NYVYGTBNCUFFGX-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196387112 1294220670 /nfs/dbraw/zinc/22/06/70/1294220670.db2.gz IZOZHWJPMOECHO-UHFFFAOYSA-N -1 0 325.715 2.508 20 30 EFEDRM NC(=NC(=O)c1cc(Cl)ncc1[O-])c1ccc2cc(O)ccc2c1 ZINC001196401304 1294225582 /nfs/dbraw/zinc/22/55/82/1294225582.db2.gz XYYLLVVOMAGDCK-UHFFFAOYSA-N -1 0 341.754 2.845 20 30 EFEDRM N#Cc1ccccc1OCCCNC(=O)c1cc(Cl)ncc1[O-] ZINC001196399602 1294225806 /nfs/dbraw/zinc/22/58/06/1294225806.db2.gz DTRQITHMVUJWHD-UHFFFAOYSA-N -1 0 331.759 2.511 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1C#N ZINC001196416463 1294240671 /nfs/dbraw/zinc/24/06/71/1294240671.db2.gz KDQAORZQROEYQC-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM COc1cc(Br)c([O-])c(NC(=O)c2ncccc2C#N)c1 ZINC001196558341 1294288581 /nfs/dbraw/zinc/28/85/81/1294288581.db2.gz FZXHBCWCAVDFPU-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc2ccccc2n1 ZINC001196643421 1294302873 /nfs/dbraw/zinc/30/28/73/1294302873.db2.gz FFYPATHDGLDJJJ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)on1 ZINC001196643580 1294303232 /nfs/dbraw/zinc/30/32/32/1294303232.db2.gz JTADWLJTLBMEEY-UHFFFAOYSA-N -1 0 325.777 2.953 20 30 EFEDRM Cn1cc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)c2n1 ZINC001196679631 1294314124 /nfs/dbraw/zinc/31/41/24/1294314124.db2.gz DWJPMHDEEZUOJJ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C#N ZINC001196639571 1294314419 /nfs/dbraw/zinc/31/44/19/1294314419.db2.gz INUPEQAQZMVZIR-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM CCOc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196647505 1294318291 /nfs/dbraw/zinc/31/82/91/1294318291.db2.gz FFSHEHFZRXJNHI-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cn(CC2CC2)cn1 ZINC001196650545 1294319011 /nfs/dbraw/zinc/31/90/11/1294319011.db2.gz OYXRGVZZKKAELS-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM Cc1cn2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)ccc2n1 ZINC001196650308 1294319355 /nfs/dbraw/zinc/31/93/55/1294319355.db2.gz LCQYAUHJMHOOTN-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001196675753 1294329249 /nfs/dbraw/zinc/32/92/49/1294329249.db2.gz MFVCOFVWCDTWDB-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2o[nH]c(=O)c2c1 ZINC001196690569 1294346255 /nfs/dbraw/zinc/34/62/55/1294346255.db2.gz UAUIRJZCWPWZIY-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)C2 ZINC001196690408 1294346271 /nfs/dbraw/zinc/34/62/71/1294346271.db2.gz LTCCWPBSBZHPSJ-UHFFFAOYSA-N -1 0 346.795 2.680 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001196689774 1294347088 /nfs/dbraw/zinc/34/70/88/1294347088.db2.gz BKZUQZTVNAIFJK-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001196690513 1294347491 /nfs/dbraw/zinc/34/74/91/1294347491.db2.gz QWZKWYNVALFMGV-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c(C)c1 ZINC001196877560 1294388491 /nfs/dbraw/zinc/38/84/91/1294388491.db2.gz DGIHNWJCZHFOGV-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCc3cccnc32)cc1C#N ZINC000885374150 1294401608 /nfs/dbraw/zinc/40/16/08/1294401608.db2.gz XETSPVLQOXTTQA-CYBMUJFWSA-N -1 0 340.408 2.583 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC001197037162 1294446498 /nfs/dbraw/zinc/44/64/98/1294446498.db2.gz SLLLTSGJPRAGEZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C/C(=C/C(=O)C(F)(F)F)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197136394 1294457022 /nfs/dbraw/zinc/45/70/22/1294457022.db2.gz APMLQPSLLANYPK-SREVYHEPSA-N -1 0 332.303 2.706 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(/C=C/C(=O)OC)c1 ZINC001197114406 1294461494 /nfs/dbraw/zinc/46/14/94/1294461494.db2.gz FNSSTRGYLUXRFL-VAWYXSNFSA-N -1 0 341.388 2.655 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCCONC)c1 ZINC001197365251 1294514117 /nfs/dbraw/zinc/51/41/17/1294514117.db2.gz JTALXZURDKFHGT-UHFFFAOYSA-N -1 0 336.432 2.816 20 30 EFEDRM COC(=O)Nc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001197410210 1294543964 /nfs/dbraw/zinc/54/39/64/1294543964.db2.gz KNIHUDRPBHYYKR-UHFFFAOYSA-N -1 0 329.287 2.834 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796371751 1294576203 /nfs/dbraw/zinc/57/62/03/1294576203.db2.gz TVPRFLNOPKRNRZ-UWVGGRQHSA-N -1 0 328.340 2.606 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136412261 1294594932 /nfs/dbraw/zinc/59/49/32/1294594932.db2.gz QRPFJNMCTKCYQZ-LBPRGKRZSA-N -1 0 342.424 2.834 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197601258 1294635397 /nfs/dbraw/zinc/63/53/97/1294635397.db2.gz ZCSZRFIUHZRGIP-UHFFFAOYSA-N -1 0 347.346 2.958 20 30 EFEDRM O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136502207 1294644472 /nfs/dbraw/zinc/64/44/72/1294644472.db2.gz IESRWFPOIGUMKY-ONEGZZNKSA-N -1 0 341.245 2.955 20 30 EFEDRM CNC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136513215 1294646150 /nfs/dbraw/zinc/64/61/50/1294646150.db2.gz OQIRVEMSAZTJRX-XBXARRHUSA-N -1 0 326.308 2.556 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncc(-c2ccccc2)c1 ZINC001234271761 1313092623 /nfs/dbraw/zinc/09/26/23/1313092623.db2.gz WPILINCHTVHGBF-KRWDZBQOSA-N -1 0 349.408 2.586 20 30 EFEDRM Cn1cnc(C#N)c1NS(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197726443 1294695712 /nfs/dbraw/zinc/69/57/12/1294695712.db2.gz SZFUBDDKTUJJIW-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C2CCC2)cc1 ZINC001234301529 1313098309 /nfs/dbraw/zinc/09/83/09/1313098309.db2.gz UZFAZPZYQBLKSA-INIZCTEOSA-N -1 0 326.414 2.792 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198154251 1294915818 /nfs/dbraw/zinc/91/58/18/1294915818.db2.gz XXJZAWQKWCVDHG-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(C#N)c1 ZINC001198233514 1294945025 /nfs/dbraw/zinc/94/50/25/1294945025.db2.gz MQKNASHAVIHUSB-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1F ZINC001198237672 1294950203 /nfs/dbraw/zinc/95/02/03/1294950203.db2.gz JEGKZESDOWUWMF-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC000886910521 1295207611 /nfs/dbraw/zinc/20/76/11/1295207611.db2.gz RXIXCKZDSSDBOG-JSGCOSHPSA-N -1 0 338.367 2.688 20 30 EFEDRM CCOC(=O)[C@@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511421 1313141749 /nfs/dbraw/zinc/14/17/49/1313141749.db2.gz PPMKRLIBUZBPBS-CYBMUJFWSA-N -1 0 329.356 2.564 20 30 EFEDRM CCC[C@H](CC(=O)OCC)Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511316 1313142242 /nfs/dbraw/zinc/14/22/42/1313142242.db2.gz NCTFXVUVXNQGHT-GFCCVEGCSA-N -1 0 329.356 2.708 20 30 EFEDRM CC(C)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(=O)OC(C)(C)C ZINC001234513730 1313142775 /nfs/dbraw/zinc/14/27/75/1313142775.db2.gz OVPZZXUHNSBHHG-AWEZNQCLSA-N -1 0 343.383 2.952 20 30 EFEDRM CC(C)Oc1ncccc1COc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234518582 1313143837 /nfs/dbraw/zinc/14/38/37/1313143837.db2.gz ABRXTJRESPCRMP-UHFFFAOYSA-N -1 0 336.351 2.968 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c(C)c1 ZINC001198939431 1295344905 /nfs/dbraw/zinc/34/49/05/1295344905.db2.gz BSFYGJFAITXPHL-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c(C)c1 ZINC001198905399 1295347049 /nfs/dbraw/zinc/34/70/49/1295347049.db2.gz ZEFYQRBPTOSWCD-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c(C)c1 ZINC001198904830 1295347248 /nfs/dbraw/zinc/34/72/48/1295347248.db2.gz DFZHSMLYPJMIOD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000037555331 1295350860 /nfs/dbraw/zinc/35/08/60/1295350860.db2.gz OBYUMTKBYKHVGP-UHFFFAOYSA-N -1 0 338.801 2.722 20 30 EFEDRM N#Cc1ccc(NC(=O)c2nccn2Cc2ccccc2F)c(O)c1 ZINC001199468231 1295531685 /nfs/dbraw/zinc/53/16/85/1295531685.db2.gz QCQZDFYVTVVLAW-UHFFFAOYSA-N -1 0 336.326 2.900 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)[nH]1 ZINC001199680946 1295675424 /nfs/dbraw/zinc/67/54/24/1295675424.db2.gz PNFVTYFXHZZNBG-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM COc1cc(Cl)cnc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204656985 1313178256 /nfs/dbraw/zinc/17/82/56/1313178256.db2.gz XEEHXQHLSJDUEW-UHFFFAOYSA-N -1 0 330.751 2.996 20 30 EFEDRM O=[N+]([O-])C[C@@H](Oc1ccccc1C=N[O-])c1ccc2c(c1)OCO2 ZINC001234819847 1313194613 /nfs/dbraw/zinc/19/46/13/1313194613.db2.gz PPRKSCYKKJNLTA-MRXNPFEDSA-N -1 0 330.296 2.620 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc2cc(F)ccc21 ZINC001234850473 1313198397 /nfs/dbraw/zinc/19/83/97/1313198397.db2.gz TZLCTQDJZULZTG-AWEZNQCLSA-N -1 0 340.372 2.817 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C#N)c1C(C)C ZINC001234855473 1313199147 /nfs/dbraw/zinc/19/91/47/1313199147.db2.gz BAJKKOSHKLXMOE-CQSZACIVSA-N -1 0 339.413 2.519 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777292914 1295991009 /nfs/dbraw/zinc/99/10/09/1295991009.db2.gz OAPOEKBSIGVPSB-QGZVFWFLSA-N -1 0 343.427 2.920 20 30 EFEDRM O=C([O-])c1cc(C=NNc2ccc(Br)nc2)ccc1O ZINC000777437883 1296025192 /nfs/dbraw/zinc/02/51/92/1296025192.db2.gz UDEXAZKCDSHPRZ-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(F)c(C(=O)[O-])c2F)c(C#N)c1 ZINC001205088003 1313231320 /nfs/dbraw/zinc/23/13/20/1313231320.db2.gz FTSMPRHAYMEMOI-UHFFFAOYSA-N -1 0 332.262 2.773 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001235169266 1313256821 /nfs/dbraw/zinc/25/68/21/1313256821.db2.gz LAUGTQFIDDIWTM-JNJFRLMHSA-N -1 0 342.351 2.946 20 30 EFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000776140686 1296629127 /nfs/dbraw/zinc/62/91/27/1296629127.db2.gz HBJAFCICAYVULX-HNNXBMFYSA-N -1 0 336.457 2.812 20 30 EFEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC(C)(C)C1 ZINC000776142678 1296647788 /nfs/dbraw/zinc/64/77/88/1296647788.db2.gz IIUMLQDTLNUZPR-STQMWFEESA-N -1 0 328.478 2.835 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)s1 ZINC000776143554 1296648541 /nfs/dbraw/zinc/64/85/41/1296648541.db2.gz ZBZKJXWFIIPQEF-UHFFFAOYSA-N -1 0 328.459 2.655 20 30 EFEDRM CC(C)(C)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142959 1296648760 /nfs/dbraw/zinc/64/87/60/1296648760.db2.gz CAVMEXQKQJJAAQ-FLIBITNWSA-N -1 0 348.468 2.993 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCCC2 ZINC000776142639 1296649432 /nfs/dbraw/zinc/64/94/32/1296649432.db2.gz HYLOFKPPVATXHB-UHFFFAOYSA-N -1 0 340.470 2.626 20 30 EFEDRM CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776144456 1296650605 /nfs/dbraw/zinc/65/06/05/1296650605.db2.gz OYDKVXWXIMPTFH-UHFFFAOYSA-N -1 0 336.457 2.522 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1Cl ZINC000776143546 1296650884 /nfs/dbraw/zinc/65/08/84/1296650884.db2.gz QULMKHKCQWCTGV-FLIBITNWSA-N -1 0 340.832 2.739 20 30 EFEDRM C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143223 1296651480 /nfs/dbraw/zinc/65/14/80/1296651480.db2.gz USRYNWVTJCGUJQ-CQSZACIVSA-N -1 0 336.457 2.641 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201246055 1296655786 /nfs/dbraw/zinc/65/57/86/1296655786.db2.gz DHGOWPBYZMVLDP-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776140593 1296669211 /nfs/dbraw/zinc/66/92/11/1296669211.db2.gz BYNUVTJIBIZTMO-NSHDSACASA-N -1 0 342.848 2.514 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1C#N ZINC001201293354 1296679718 /nfs/dbraw/zinc/67/97/18/1296679718.db2.gz VQFPCRXDFQZXQR-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)cc1C#N ZINC001201331857 1296707529 /nfs/dbraw/zinc/70/75/29/1296707529.db2.gz FGROZEFLBCEOEF-UHFFFAOYSA-N -1 0 346.252 2.638 20 30 EFEDRM CCOc1ncc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201295474 1296708277 /nfs/dbraw/zinc/70/82/77/1296708277.db2.gz SLDTUCUAZBYWBF-UHFFFAOYSA-N -1 0 335.360 2.600 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cnn(C)c32)cc1C#N ZINC001201316888 1296723196 /nfs/dbraw/zinc/72/31/96/1296723196.db2.gz GMCOFGPMKATPBO-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316884 1296723644 /nfs/dbraw/zinc/72/36/44/1296723644.db2.gz GJZFDWCRKHAXNL-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317552 1296723935 /nfs/dbraw/zinc/72/39/35/1296723935.db2.gz UWJDERZLTRTNMU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2P(C)(C)=O)cc1C#N ZINC001201316600 1296724282 /nfs/dbraw/zinc/72/42/82/1296724282.db2.gz BXLFHPSUKOLERL-UHFFFAOYSA-N -1 0 348.364 2.916 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cn(C)nc32)cc1C#N ZINC001201317616 1296724332 /nfs/dbraw/zinc/72/43/32/1296724332.db2.gz XKNRWTGUGWUDQM-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)cc1C#N ZINC001201323451 1296727867 /nfs/dbraw/zinc/72/78/67/1296727867.db2.gz FLBGCJGSWKKGOV-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2occ3c2CCC3)n1 ZINC000803881991 1313303828 /nfs/dbraw/zinc/30/38/28/1313303828.db2.gz HWYQRFMURFXADS-GFCCVEGCSA-N -1 0 330.365 2.567 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccsc1C(=O)[O-] ZINC001205565698 1313314003 /nfs/dbraw/zinc/31/40/03/1313314003.db2.gz SAVQAEOZDJJRGR-SNVBAGLBSA-N -1 0 345.380 2.852 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001201728383 1297028781 /nfs/dbraw/zinc/02/87/81/1297028781.db2.gz KZWRWAKURIWCHF-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2sc(Cl)nc2C)c1C#N ZINC001201728727 1297029161 /nfs/dbraw/zinc/02/91/61/1297029161.db2.gz HYOBTQRCEPLNGC-UHFFFAOYSA-N -1 0 334.835 2.542 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(F)cccc1C#N ZINC001201755707 1297053714 /nfs/dbraw/zinc/05/37/14/1297053714.db2.gz AJWPALVZBTVSFC-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792425 1297080262 /nfs/dbraw/zinc/08/02/62/1297080262.db2.gz HEFDULONBNSWQK-UHFFFAOYSA-N -1 0 329.425 2.801 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-][C@@H](C#N)C(=O)OCC ZINC001201837153 1297121278 /nfs/dbraw/zinc/12/12/78/1297121278.db2.gz OJEILMSGQBADHQ-AWEZNQCLSA-N -1 0 332.466 2.502 20 30 EFEDRM COC(=O)CCCS(=O)(=O)[N-]c1oc(-c2ccccc2)cc1C#N ZINC001201905239 1297161041 /nfs/dbraw/zinc/16/10/41/1297161041.db2.gz LGTFMZBSKOBGIS-UHFFFAOYSA-N -1 0 348.380 2.513 20 30 EFEDRM CS(=O)(=O)c1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1 ZINC000776260962 1297297855 /nfs/dbraw/zinc/29/78/55/1297297855.db2.gz RZCHQENKSPBQJK-UHFFFAOYSA-N -1 0 326.324 2.520 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnc3ccccc32)cc1 ZINC000778299094 1297603420 /nfs/dbraw/zinc/60/34/20/1297603420.db2.gz SMUPCLOQERXOMN-INIZCTEOSA-N -1 0 344.374 2.650 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnc3ccccc32)cc1 ZINC000778299095 1297604293 /nfs/dbraw/zinc/60/42/93/1297604293.db2.gz SMUPCLOQERXOMN-MRXNPFEDSA-N -1 0 344.374 2.650 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1-c1ccc(Cl)cc1 ZINC000778298552 1297605617 /nfs/dbraw/zinc/60/56/17/1297605617.db2.gz QNBNCIGNKODOLA-CQSZACIVSA-N -1 0 344.802 2.681 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000042291132 1297696340 /nfs/dbraw/zinc/69/63/40/1297696340.db2.gz JTETUDHFJUMTDN-UHFFFAOYSA-N -1 0 331.353 2.533 20 30 EFEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000042291390 1297696772 /nfs/dbraw/zinc/69/67/72/1297696772.db2.gz OVXOYMDDANYQKZ-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000042292140 1297697270 /nfs/dbraw/zinc/69/72/70/1297697270.db2.gz NGXCLEHVUGLPAT-UHFFFAOYSA-N -1 0 332.740 2.777 20 30 EFEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)c2ccccc21 ZINC000042290558 1297697287 /nfs/dbraw/zinc/69/72/87/1297697287.db2.gz CLBCKOJXJXESTD-UHFFFAOYSA-N -1 0 347.396 2.960 20 30 EFEDRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000042301582 1297699122 /nfs/dbraw/zinc/69/91/22/1297699122.db2.gz BPOFWHHORKNQMW-UHFFFAOYSA-N -1 0 341.820 2.578 20 30 EFEDRM C=CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000778653802 1297701510 /nfs/dbraw/zinc/70/15/10/1297701510.db2.gz BFZCKGORSCZGTK-GFCCVEGCSA-N -1 0 335.347 2.745 20 30 EFEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000778735868 1297709514 /nfs/dbraw/zinc/70/95/14/1297709514.db2.gz UWVLSPXCEFFVDL-INIZCTEOSA-N -1 0 346.452 2.876 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)cc1Cl ZINC000107023048 1297782740 /nfs/dbraw/zinc/78/27/40/1297782740.db2.gz JIEREVXCFDGVLH-UHFFFAOYSA-N -1 0 338.816 2.907 20 30 EFEDRM COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000079148838 1298361112 /nfs/dbraw/zinc/36/11/12/1298361112.db2.gz KANBCPWLUJAVKM-CYBMUJFWSA-N -1 0 340.445 2.876 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2ccccc12 ZINC000193351668 1298431056 /nfs/dbraw/zinc/43/10/56/1298431056.db2.gz MKPUGOFYJYVPHF-CYBMUJFWSA-N -1 0 330.409 2.767 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000193379678 1298433326 /nfs/dbraw/zinc/43/33/26/1298433326.db2.gz ROFIPFVJJNVGAX-AWEZNQCLSA-N -1 0 342.374 2.845 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000108250332 1298493999 /nfs/dbraw/zinc/49/39/99/1298493999.db2.gz HIVZGSXNTXJKGH-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000083763318 1298698828 /nfs/dbraw/zinc/69/88/28/1298698828.db2.gz RSDIFADCNJCZAH-UHFFFAOYSA-N -1 0 336.207 2.521 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c[nH]1 ZINC000779848273 1298962282 /nfs/dbraw/zinc/96/22/82/1298962282.db2.gz LOBBBCHKGGFKIH-LLVKDONJSA-N -1 0 334.401 2.625 20 30 EFEDRM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000086055489 1299257251 /nfs/dbraw/zinc/25/72/51/1299257251.db2.gz DDLVPWRRRNNIIQ-STQMWFEESA-N -1 0 344.477 2.500 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776514984 1299329382 /nfs/dbraw/zinc/32/93/82/1299329382.db2.gz GYYQYSNVAWEQMQ-GFCCVEGCSA-N -1 0 343.770 2.940 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000109933671 1299350728 /nfs/dbraw/zinc/35/07/28/1299350728.db2.gz OIMFGLVXTMXSPU-UHFFFAOYSA-N -1 0 325.393 2.813 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1C1CCCCC1 ZINC000776533822 1299366432 /nfs/dbraw/zinc/36/64/32/1299366432.db2.gz MDJUONIZSJJYKQ-CQSZACIVSA-N -1 0 339.399 2.636 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1Cl)C(=O)[O-] ZINC000776596910 1299715109 /nfs/dbraw/zinc/71/51/09/1299715109.db2.gz KBVHHBIISACWFM-ASCRHOAZSA-N -1 0 329.805 2.650 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001237480113 1313654035 /nfs/dbraw/zinc/65/40/35/1313654035.db2.gz VESUJOQHXFEZAG-UHFFFAOYSA-N -1 0 345.500 2.694 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000254605843 1299973055 /nfs/dbraw/zinc/97/30/55/1299973055.db2.gz CIJBQJHOMGIMSW-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)n1 ZINC000853108156 1300009731 /nfs/dbraw/zinc/00/97/31/1300009731.db2.gz CWAYCXFZZJYOGF-MZBZXASESA-N -1 0 329.381 2.848 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccc(C(N)=O)o2)n1 ZINC000853108158 1300009970 /nfs/dbraw/zinc/00/99/70/1300009970.db2.gz CWAYCXFZZJYOGF-USEMIUTHSA-N -1 0 329.381 2.848 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2CC1(CN=Nc1ccc(C(=O)[O-])nc1)C2 ZINC000853354289 1300093533 /nfs/dbraw/zinc/09/35/33/1300093533.db2.gz CRHRCBLXOUEZND-UHFFFAOYSA-N -1 0 346.387 2.577 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000111561236 1300266588 /nfs/dbraw/zinc/26/65/88/1300266588.db2.gz MPYDKFIKLJSNKF-UHFFFAOYSA-N -1 0 346.390 2.847 20 30 EFEDRM CCCCCC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000776695146 1300303549 /nfs/dbraw/zinc/30/35/49/1300303549.db2.gz ZKCGXUDDNVGGRS-HNNXBMFYSA-N -1 0 338.429 2.602 20 30 EFEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1 ZINC000112222791 1300558850 /nfs/dbraw/zinc/55/88/50/1300558850.db2.gz SLTHVGWGEPONSQ-INIZCTEOSA-N -1 0 336.395 2.562 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000089490261 1300818733 /nfs/dbraw/zinc/81/87/33/1300818733.db2.gz XVEBEEHNOXWASW-UHFFFAOYSA-N -1 0 337.401 2.556 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCc2ccc(F)cc2)c1 ZINC000089490309 1300818768 /nfs/dbraw/zinc/81/87/68/1300818768.db2.gz HJPNYOMABIMTOQ-UHFFFAOYSA-N -1 0 339.392 2.881 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)c1 ZINC000089490332 1300819476 /nfs/dbraw/zinc/81/94/76/1300819476.db2.gz HXDDMKOINAQPEK-UHFFFAOYSA-N -1 0 333.413 2.841 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000089492458 1300822079 /nfs/dbraw/zinc/82/20/79/1300822079.db2.gz MFQKOAMVXFRXBE-UHFFFAOYSA-N -1 0 334.397 2.871 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000795353472 1300836953 /nfs/dbraw/zinc/83/69/53/1300836953.db2.gz WEUAGDVRYDXUSL-UHFFFAOYSA-N -1 0 348.424 2.926 20 30 EFEDRM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1F ZINC000795389792 1300922157 /nfs/dbraw/zinc/92/21/57/1300922157.db2.gz YYTKXHDFRMMXJR-MRVPVSSYSA-N -1 0 326.374 2.613 20 30 EFEDRM C=CCCNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000855381772 1300935623 /nfs/dbraw/zinc/93/56/23/1300935623.db2.gz DEGFFCMOGASOGI-UHFFFAOYSA-N -1 0 345.468 2.938 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cnc([C@@H]2CCCO2)s1 ZINC000089963557 1300960431 /nfs/dbraw/zinc/96/04/31/1300960431.db2.gz BKACGFACNAMAHY-NSHDSACASA-N -1 0 338.410 2.688 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000089970902 1300962504 /nfs/dbraw/zinc/96/25/04/1300962504.db2.gz BKJMPUKEEQPBMN-ZDUSSCGKSA-N -1 0 338.473 2.908 20 30 EFEDRM C#CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000855606676 1301031730 /nfs/dbraw/zinc/03/17/30/1301031730.db2.gz NMFINJOVZLVWOV-CYBMUJFWSA-N -1 0 338.791 2.587 20 30 EFEDRM COC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000780150739 1313740747 /nfs/dbraw/zinc/74/07/47/1313740747.db2.gz YKVZZFVWSUFSHI-UHFFFAOYSA-N -1 0 330.296 2.846 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(OCc2cccnc2)c1 ZINC000113653415 1301107502 /nfs/dbraw/zinc/10/75/02/1301107502.db2.gz SZYXPFNXLOTMPI-QGZVFWFLSA-N -1 0 337.379 2.508 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2coc3ccccc23)c1 ZINC000113657837 1301109844 /nfs/dbraw/zinc/10/98/44/1301109844.db2.gz YATYNKQJMQWKIS-UHFFFAOYSA-N -1 0 340.360 2.564 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000856029438 1301210327 /nfs/dbraw/zinc/21/03/27/1301210327.db2.gz NNOLZIAHYMRESU-CYBMUJFWSA-N -1 0 335.795 2.569 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000856031639 1301210719 /nfs/dbraw/zinc/21/07/19/1301210719.db2.gz YAGCOIHQCDAMTG-YOEHRIQHSA-N -1 0 330.428 2.610 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000856030937 1301210781 /nfs/dbraw/zinc/21/07/81/1301210781.db2.gz XNLIQMCXWGFYMH-SECBINFHSA-N -1 0 331.199 2.736 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000856030649 1301211043 /nfs/dbraw/zinc/21/10/43/1301211043.db2.gz KYOLAZKWCZGISD-VIFPVBQESA-N -1 0 332.169 2.979 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000856028598 1301211321 /nfs/dbraw/zinc/21/13/21/1301211321.db2.gz KHGYSRNAFVZVKK-UHFFFAOYSA-N -1 0 338.458 2.743 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)c2ccco2)n1 ZINC000859818317 1301588710 /nfs/dbraw/zinc/58/87/10/1301588710.db2.gz OQPDRAREINSLCU-CMPLNLGQSA-N -1 0 332.381 2.958 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)c2ccco2)n1 ZINC000859818321 1301588941 /nfs/dbraw/zinc/58/89/41/1301588941.db2.gz OQPDRAREINSLCU-PWSUYJOCSA-N -1 0 332.381 2.958 20 30 EFEDRM N#Cc1cccc(N2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC001238239346 1313788558 /nfs/dbraw/zinc/78/85/58/1313788558.db2.gz UWXJAHOQMASFIX-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CCCCCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000860403433 1301790745 /nfs/dbraw/zinc/79/07/45/1301790745.db2.gz YQVHAJHVDDMSSP-UHFFFAOYSA-N -1 0 327.450 2.543 20 30 EFEDRM CCc1nocc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000860690826 1301886242 /nfs/dbraw/zinc/88/62/42/1301886242.db2.gz GRFBCWIFSWUXNB-LBPRGKRZSA-N -1 0 331.759 2.529 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1 ZINC000860722044 1301898247 /nfs/dbraw/zinc/89/82/47/1301898247.db2.gz QMQHSHKWRCSAJK-AWEZNQCLSA-N -1 0 327.833 2.693 20 30 EFEDRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014704 1301990565 /nfs/dbraw/zinc/99/05/65/1301990565.db2.gz RWVNPNOFMZNZDS-FLIBITNWSA-N -1 0 338.404 2.636 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000861014107 1301990774 /nfs/dbraw/zinc/99/07/74/1301990774.db2.gz XMIVSMAUEYJSEP-XFFZJAGNSA-N -1 0 338.404 2.636 20 30 EFEDRM CC(C)(O)CNN=Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000863137216 1302540034 /nfs/dbraw/zinc/54/00/34/1302540034.db2.gz UIFCCWVTVAPCMC-QGZVFWFLSA-N -1 0 342.395 2.586 20 30 EFEDRM Cc1cc(COc2ccc(C=NNCC(C)(C)O)cc2)oc1C(=O)[O-] ZINC000863139239 1302540464 /nfs/dbraw/zinc/54/04/64/1302540464.db2.gz BFLGXFVDXYTLCR-UHFFFAOYSA-N -1 0 346.383 2.560 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794591268 1302801271 /nfs/dbraw/zinc/80/12/71/1302801271.db2.gz WXXLIPDXYGVIIT-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccccc1F ZINC000091125777 1303027992 /nfs/dbraw/zinc/02/79/92/1303027992.db2.gz CUPCCFOYEKEZKO-UHFFFAOYSA-N -1 0 335.356 2.844 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC000794731901 1303034347 /nfs/dbraw/zinc/03/43/47/1303034347.db2.gz MLXVFLOUHWLWJK-FNORWQNLSA-N -1 0 336.307 2.777 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC000794731900 1303034352 /nfs/dbraw/zinc/03/43/52/1303034352.db2.gz MLXVFLOUHWLWJK-ALCCZGGFSA-N -1 0 336.307 2.777 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccnc(F)c2)ccc1OCCC(=O)[O-] ZINC000794717609 1303039086 /nfs/dbraw/zinc/03/90/86/1303039086.db2.gz AADUWYZMVXJWRO-RQOWECAXSA-N -1 0 345.326 2.979 20 30 EFEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1cc(Cl)ccc1[O-] ZINC000865220588 1303193669 /nfs/dbraw/zinc/19/36/69/1303193669.db2.gz MXXWRLXMMJMFCV-BPJJOFIESA-N -1 0 333.775 2.712 20 30 EFEDRM O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1ccc([O-])c(Cl)c1 ZINC000865224483 1303194494 /nfs/dbraw/zinc/19/44/94/1303194494.db2.gz RRBVLRMIMQLEHY-DIECRNLCSA-N -1 0 333.775 2.712 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000799648196 1303270203 /nfs/dbraw/zinc/27/02/03/1303270203.db2.gz SECGMVVPNILXAZ-OAHLLOKOSA-N -1 0 345.848 2.515 20 30 EFEDRM CC(C)Oc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1C(N)=O ZINC000794846477 1303292009 /nfs/dbraw/zinc/29/20/09/1303292009.db2.gz BPRVLOZSXINKES-UHFFFAOYSA-N -1 0 343.339 2.937 20 30 EFEDRM Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000748410058 1313910965 /nfs/dbraw/zinc/91/09/65/1313910965.db2.gz FBGFYTCIERKQTA-UHFFFAOYSA-N -1 0 334.335 2.716 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(N3CCOC3=O)ccc2F)c1 ZINC000748411044 1313912068 /nfs/dbraw/zinc/91/20/68/1313912068.db2.gz UYKXCHOHAGOIFA-UHFFFAOYSA-N -1 0 341.298 2.612 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748411267 1313912742 /nfs/dbraw/zinc/91/27/42/1313912742.db2.gz YMAOTGJFAIRVRG-CYBMUJFWSA-N -1 0 345.399 2.992 20 30 EFEDRM CC(C)(C)OC(=O)N(CC(=O)Nc1cc(C#N)ccc1[O-])CC1CC1 ZINC000748410315 1313912882 /nfs/dbraw/zinc/91/28/82/1313912882.db2.gz HZQPASIDBGVIKL-UHFFFAOYSA-N -1 0 345.399 2.849 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794944470 1303736148 /nfs/dbraw/zinc/73/61/48/1303736148.db2.gz BYWDILXKARYBTL-XQRVVYSFSA-N -1 0 348.336 2.830 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(C)c1 ZINC000121783151 1303922951 /nfs/dbraw/zinc/92/29/51/1303922951.db2.gz RODMZNBLWXDNKN-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000122385535 1304577626 /nfs/dbraw/zinc/57/76/26/1304577626.db2.gz JIBNGUQUUOXDGM-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000122496021 1304686600 /nfs/dbraw/zinc/68/66/00/1304686600.db2.gz SMRKWYOMVYXKBR-INIZCTEOSA-N -1 0 346.346 2.813 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc2cc(Br)ccc2c1 ZINC000122566894 1304768582 /nfs/dbraw/zinc/76/85/82/1304768582.db2.gz PFZLFRSWFKKMBF-CYBMUJFWSA-N -1 0 331.169 2.671 20 30 EFEDRM Cc1ccc(C)c(C(=O)CCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122589351 1304778914 /nfs/dbraw/zinc/77/89/14/1304778914.db2.gz XZBAGOGDTCNCCH-OAHLLOKOSA-N -1 0 337.379 2.592 20 30 EFEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122655429 1304856153 /nfs/dbraw/zinc/85/61/53/1304856153.db2.gz SWHGELRTYPIBII-INIZCTEOSA-N -1 0 338.411 2.862 20 30 EFEDRM CC[C@H](C)c1ccccc1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122799038 1304989878 /nfs/dbraw/zinc/98/98/78/1304989878.db2.gz GECZNXNHWZTWBI-DZGCQCFKSA-N -1 0 339.395 2.904 20 30 EFEDRM COc1ccc(S[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122802099 1305013804 /nfs/dbraw/zinc/01/38/04/1305013804.db2.gz XROLTTILXQBWQF-RISCZKNCSA-N -1 0 343.408 2.501 20 30 EFEDRM CC(C)c1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122877988 1305066123 /nfs/dbraw/zinc/06/61/23/1305066123.db2.gz FCFPDCWZHVEBHO-CJNGLKHVSA-N -1 0 339.395 2.903 20 30 EFEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)sc2c1 ZINC000870132715 1305159084 /nfs/dbraw/zinc/15/90/84/1305159084.db2.gz LHMZEXUHVRMJOU-CYBMUJFWSA-N -1 0 328.393 2.855 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2ccccn2)c1 ZINC000870132210 1305159249 /nfs/dbraw/zinc/15/92/49/1305159249.db2.gz BZAMJGPQPJRAQY-MRXNPFEDSA-N -1 0 335.363 2.819 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(COC)c(F)c1 ZINC000870134364 1305160033 /nfs/dbraw/zinc/16/00/33/1305160033.db2.gz KKJIGWNSLGMBPP-HNNXBMFYSA-N -1 0 334.391 2.991 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(F)c1F ZINC000870133690 1305160143 /nfs/dbraw/zinc/16/01/43/1305160143.db2.gz CYUYNHJBTQMVHR-ZDUSSCGKSA-N -1 0 338.354 2.527 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1F ZINC000870134248 1305160158 /nfs/dbraw/zinc/16/01/58/1305160158.db2.gz LMJXYGWMOBANJQ-SNVBAGLBSA-N -1 0 347.173 2.608 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000123043980 1305251771 /nfs/dbraw/zinc/25/17/71/1305251771.db2.gz MKYBPVZCKPIZRG-UHFFFAOYSA-N -1 0 344.392 2.820 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cnn(C3CCCC3)c2)CCC1 ZINC000870641774 1305463171 /nfs/dbraw/zinc/46/31/71/1305463171.db2.gz WKKIIHLNMDJMOS-UHFFFAOYSA-N -1 0 337.445 2.550 20 30 EFEDRM COc1cc(-c2nccc(C#N)c2C(OC)OC)ccc1C(=O)[O-] ZINC001240743388 1314065323 /nfs/dbraw/zinc/06/53/23/1314065323.db2.gz UKXWAAWTQWTTLC-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000123361010 1305649299 /nfs/dbraw/zinc/64/92/99/1305649299.db2.gz BIYOSLWJBULUTP-PTSWNOGYSA-N -1 0 333.391 2.606 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000123363204 1305649519 /nfs/dbraw/zinc/64/95/19/1305649519.db2.gz VEGWMUCHLDRULK-HNNXBMFYSA-N -1 0 346.346 2.813 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC001241244140 1314104348 /nfs/dbraw/zinc/10/43/48/1314104348.db2.gz ZSOUCBWDLCKCJU-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C)c(Oc2ccncc2)c1 ZINC000115904345 1314107186 /nfs/dbraw/zinc/10/71/86/1314107186.db2.gz POEWVTVVLQPSCY-INIZCTEOSA-N -1 0 335.363 2.807 20 30 EFEDRM CCCc1nc(C)c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000796538266 1306165671 /nfs/dbraw/zinc/16/56/71/1306165671.db2.gz VMDADTGTMBLAFZ-NSHDSACASA-N -1 0 347.396 2.734 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cccc(C(=O)[O-])c1 ZINC001241357693 1314112625 /nfs/dbraw/zinc/11/26/25/1314112625.db2.gz AUHXUZJXPNCYMQ-ZDUSSCGKSA-N -1 0 347.330 2.775 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1 ZINC001241816095 1314153028 /nfs/dbraw/zinc/15/30/28/1314153028.db2.gz ANLRDLMMNFUKQR-SRZZPIQSSA-N -1 0 326.331 2.917 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC001257811930 1316094492 /nfs/dbraw/zinc/09/44/92/1316094492.db2.gz WWDNUXAMXIUHMT-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001259453142 1316244754 /nfs/dbraw/zinc/24/47/54/1316244754.db2.gz IUKABXLARMOMBJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC001260308419 1316330704 /nfs/dbraw/zinc/33/07/04/1316330704.db2.gz XYDWPRJNYKTMOD-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2ccc(C(=O)[O-])nc2)n1 ZINC001242334443 1314199535 /nfs/dbraw/zinc/19/95/35/1314199535.db2.gz MHQLJOYYFSBONA-LBPRGKRZSA-N -1 0 339.351 2.791 20 30 EFEDRM C#CCCOc1ccc(CNCc2nc(C(=O)[O-])c(C)s2)cc1 ZINC000900064030 1307629861 /nfs/dbraw/zinc/62/98/61/1307629861.db2.gz HBEBUEMUMKZESQ-UHFFFAOYSA-N -1 0 330.409 2.842 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OCCC)cc1C)C(=O)[O-] ZINC000900330709 1307988588 /nfs/dbraw/zinc/98/85/88/1307988588.db2.gz DMBJVDIGLRDREZ-OAHLLOKOSA-N -1 0 336.388 2.561 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1C)C(=O)[O-] ZINC000900334415 1307997671 /nfs/dbraw/zinc/99/76/71/1307997671.db2.gz ZJMCZSOORSMHND-LLVKDONJSA-N -1 0 344.289 2.534 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC000900343392 1308016115 /nfs/dbraw/zinc/01/61/15/1308016115.db2.gz HIKCCFADWUSHOE-HNNXBMFYSA-N -1 0 332.400 2.908 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC000900346288 1308024013 /nfs/dbraw/zinc/02/40/13/1308024013.db2.gz FJJNVJUKVPIFPO-QGZVFWFLSA-N -1 0 343.427 2.973 20 30 EFEDRM COc1cc(/C=C2\COc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000013140926 1308320230 /nfs/dbraw/zinc/32/02/30/1308320230.db2.gz DIHJRCLSNJGCPT-MDWZMJQESA-N -1 0 340.331 2.817 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccccc1C(=O)[O-] ZINC001242878145 1314241238 /nfs/dbraw/zinc/24/12/38/1314241238.db2.gz DACSUHCNLLDVAA-ZDUSSCGKSA-N -1 0 339.351 2.791 20 30 EFEDRM COc1c(C(=O)[O-])cccc1-c1nccc(C#N)c1C(OC)OC ZINC001242921040 1314245203 /nfs/dbraw/zinc/24/52/03/1314245203.db2.gz LZKXFXDAPCQZCY-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM Cc1[nH]c(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000800809497 1308462225 /nfs/dbraw/zinc/46/22/25/1308462225.db2.gz QSHXPPNOBUDDMG-UHFFFAOYSA-N -1 0 345.359 2.590 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000800816358 1308479532 /nfs/dbraw/zinc/47/95/32/1308479532.db2.gz BEFRHYVNNSLDPL-UHFFFAOYSA-N -1 0 333.275 2.672 20 30 EFEDRM COC(=O)c1c(F)cccc1N=NCc1ccccc1OCC(=O)[O-] ZINC000800818051 1308482573 /nfs/dbraw/zinc/48/25/73/1308482573.db2.gz FLMOTSKFPUMQDN-UHFFFAOYSA-N -1 0 346.314 2.522 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C(=O)[O-])cc1C ZINC001243202989 1314269485 /nfs/dbraw/zinc/26/94/85/1314269485.db2.gz MIDGHYBAPWFANO-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM COC(=O)c1cc(Br)c([O-])c(Nc2cncc(C#N)c2)c1 ZINC001210086890 1314280015 /nfs/dbraw/zinc/28/00/15/1314280015.db2.gz XUIDGCPFGKIRFJ-UHFFFAOYSA-N -1 0 348.156 2.952 20 30 EFEDRM N#Cc1cncc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001210086397 1314280305 /nfs/dbraw/zinc/28/03/05/1314280305.db2.gz HVMJWXXKBSAZSP-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM COc1ccc(NC2=CC(=O)CC(C)(C)C2)c(S(=O)(=O)[O-])c1 ZINC001210152898 1314288427 /nfs/dbraw/zinc/28/84/27/1314288427.db2.gz CWHIIAAMDTXUPC-UHFFFAOYSA-N -1 0 325.386 2.627 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1 ZINC001243512815 1314292387 /nfs/dbraw/zinc/29/23/87/1314292387.db2.gz AGQOCHAUGMBXFQ-UHFFFAOYSA-N -1 0 332.262 2.773 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cc(C(=O)[O-])ccc1OC ZINC001210254074 1314302619 /nfs/dbraw/zinc/30/26/19/1314302619.db2.gz BQAFIFUZWMYVHR-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001413298834 1309451923 /nfs/dbraw/zinc/45/19/23/1309451923.db2.gz QRPODUKZCGPUEQ-BFVZDQMLSA-N -1 0 328.384 2.939 20 30 EFEDRM CCOC(=O)c1c(C)oc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C#N ZINC001210394453 1314325498 /nfs/dbraw/zinc/32/54/98/1314325498.db2.gz VVTBBSHLJGAYLX-UHFFFAOYSA-N -1 0 331.284 2.994 20 30 EFEDRM N#CC1(c2cccc(-c3cccc4c3NC(=O)[N-]S4(=O)=O)c2)CC1 ZINC001244074082 1314350089 /nfs/dbraw/zinc/35/00/89/1314350089.db2.gz SRSCWMHUJNIWGI-UHFFFAOYSA-N -1 0 339.376 2.733 20 30 EFEDRM COc1cc(C(=O)[O-])cc(-c2nccc(C#N)c2C(OC)OC)c1 ZINC001244175711 1314359394 /nfs/dbraw/zinc/35/93/94/1314359394.db2.gz MUMGPPLFIZFQBJ-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM COc1nc(C)nc(-c2ccc(OC(F)(F)F)cc2[O-])c1C#N ZINC001244464420 1314382941 /nfs/dbraw/zinc/38/29/41/1314382941.db2.gz KXGAGOIHZWMPSB-UHFFFAOYSA-N -1 0 325.246 2.937 20 30 EFEDRM O=C(/C=C/c1cccc(F)n1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000901440234 1310484143 /nfs/dbraw/zinc/48/41/43/1310484143.db2.gz YMNNSGPUMUQPRM-FNORWQNLSA-N -1 0 342.370 2.655 20 30 EFEDRM N#Cc1ccnc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000901459821 1310518302 /nfs/dbraw/zinc/51/83/02/1310518302.db2.gz DHGILMDQUJVBPE-UHFFFAOYSA-N -1 0 328.397 2.623 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)nn1 ZINC000901529385 1310614545 /nfs/dbraw/zinc/61/45/45/1310614545.db2.gz KYXICFWDGOOWAX-UVMWJGKXSA-N -1 0 329.356 2.607 20 30 EFEDRM COc1cc(/C=C2\C(=O)c3nccn3[C@H]2C)ccc1OCCC(=O)[O-] ZINC000901564004 1310673013 /nfs/dbraw/zinc/67/30/13/1310673013.db2.gz DANNVDPLMKNBPZ-KWJWQAOWSA-N -1 0 342.351 2.586 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000901585240 1310703191 /nfs/dbraw/zinc/70/31/91/1310703191.db2.gz AJXYQLPAQABQNO-UHFFFAOYSA-N -1 0 327.306 2.665 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1c(Br)cc(OC)cc1OC ZINC000901586794 1310705397 /nfs/dbraw/zinc/70/53/97/1310705397.db2.gz RIBCNXVSHJEFKM-UHFFFAOYSA-N -1 0 344.205 2.539 20 30 EFEDRM N#CC(C#N)c1nc2ccccc2nc1-c1cnc(F)c(C(=O)[O-])c1 ZINC001244753871 1314408152 /nfs/dbraw/zinc/40/81/52/1314408152.db2.gz YJNRWYGKOIQXJB-UHFFFAOYSA-N -1 0 333.282 2.660 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1 ZINC000901765032 1311018189 /nfs/dbraw/zinc/01/81/89/1311018189.db2.gz BDNGJOANBMHHAU-UHFFFAOYSA-N -1 0 330.413 2.865 20 30 EFEDRM CC1(C)C[C@H](NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000780251273 1311045917 /nfs/dbraw/zinc/04/59/17/1311045917.db2.gz SJGDICGHRIPSAQ-LLVKDONJSA-N -1 0 327.768 2.835 20 30 EFEDRM CC1(C)C[C@@H](NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000780251274 1311045983 /nfs/dbraw/zinc/04/59/83/1311045983.db2.gz SJGDICGHRIPSAQ-NSHDSACASA-N -1 0 327.768 2.835 20 30 EFEDRM O=S(=O)([N-]c1nncs1)c1ccc(N=NC2CCCC2)cc1 ZINC000751134560 1311108956 /nfs/dbraw/zinc/10/89/56/1311108956.db2.gz YLMSQXRYSHPGEX-UHFFFAOYSA-N -1 0 337.430 2.681 20 30 EFEDRM N#CCN1CC[C@@H](OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222939433 1311200992 /nfs/dbraw/zinc/20/09/92/1311200992.db2.gz ANGDZWXFPUABIC-ICHPLGEASA-N -1 0 329.734 2.725 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802039267 1311255114 /nfs/dbraw/zinc/25/51/14/1311255114.db2.gz AOKBBKATXQJMOP-AWEZNQCLSA-N -1 0 347.415 2.588 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)co1 ZINC000802040791 1311256925 /nfs/dbraw/zinc/25/69/25/1311256925.db2.gz KXGJQDIZCFPMGB-GFCCVEGCSA-N -1 0 341.367 2.987 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802042090 1311260766 /nfs/dbraw/zinc/26/07/66/1311260766.db2.gz AAERMMIZZMQYHX-CQSZACIVSA-N -1 0 339.351 2.530 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c(Cl)c1 ZINC000901980579 1311274875 /nfs/dbraw/zinc/27/48/75/1311274875.db2.gz RGSCKQIIVYUROB-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(C)n2)n1 ZINC000802056341 1311283419 /nfs/dbraw/zinc/28/34/19/1311283419.db2.gz KHXYBSQPZNEYML-NSHDSACASA-N -1 0 329.381 2.822 20 30 EFEDRM C[C@H](O)CCCC(=O)O/C(=N\[O-])c1ccccc1Br ZINC001223884652 1311315319 /nfs/dbraw/zinc/31/53/19/1311315319.db2.gz OHTQAELIEDPEIA-BFBVWJMCSA-N -1 0 330.178 2.679 20 30 EFEDRM CCOC(=O)[C@H]1CC[C@@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891277 1311316357 /nfs/dbraw/zinc/31/63/57/1311316357.db2.gz HDWMQKHPHLEHHP-CMSRKXFBSA-N -1 0 337.372 2.588 20 30 EFEDRM CCOC(=O)[C@@H]1CC[C@@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891283 1311316500 /nfs/dbraw/zinc/31/65/00/1311316500.db2.gz HDWMQKHPHLEHHP-ZTUJZTNKSA-N -1 0 337.372 2.588 20 30 EFEDRM CCC[C@H](CC(=O)OCC)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892153 1311316638 /nfs/dbraw/zinc/31/66/38/1311316638.db2.gz CSYSGJDLAXDTIS-XAGMJWQQSA-N -1 0 339.388 2.978 20 30 EFEDRM COC(=O)[C@H]1CC[C@H](O/C(=N\[O-])c2cc(OC)ccc2OC)CC1 ZINC001223893602 1311317160 /nfs/dbraw/zinc/31/71/60/1311317160.db2.gz XUFYCUAORICZNI-YETIWXSZSA-N -1 0 337.372 2.588 20 30 EFEDRM N#Cc1ccccc1OC1CN(c2nc[n-]c3nc(=S)sc2-3)C1 ZINC001158773159 1311385022 /nfs/dbraw/zinc/38/50/22/1311385022.db2.gz WGDFOVKHEOBCAR-UHFFFAOYSA-N -1 0 341.421 2.514 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cnc(Cl)c(F)c1 ZINC001158964689 1311425140 /nfs/dbraw/zinc/42/51/40/1311425140.db2.gz GENKGMNXPBYJBD-UHFFFAOYSA-N -1 0 345.668 2.718 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1nccc(-c2ccc(F)cc2)n1 ZINC001158965587 1311425575 /nfs/dbraw/zinc/42/55/75/1311425575.db2.gz VHTFSLOYHQVOPC-UHFFFAOYSA-N -1 0 338.302 2.709 20 30 EFEDRM C[C@H](OCCCS(=O)(=O)[O-])C(F)(F)C(F)(F)C(F)(F)F ZINC001224894628 1311447795 /nfs/dbraw/zinc/44/77/95/1311447795.db2.gz VXMUULHPIGFLKI-YFKPBYRVSA-N -1 0 336.225 2.502 20 30 EFEDRM C[C@H](C#C[Si](C)(C)C)OCCc1ccc(S(=O)(=O)[O-])cc1 ZINC001224901502 1311448340 /nfs/dbraw/zinc/44/83/40/1311448340.db2.gz AAOKGPLKQLOSNR-CYBMUJFWSA-N -1 0 326.490 2.762 20 30 EFEDRM N#C[C@@H](OCCc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1F ZINC001224903392 1311448771 /nfs/dbraw/zinc/44/87/71/1311448771.db2.gz PVXDKFYCMLKJLK-MRXNPFEDSA-N -1 0 335.356 2.896 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)co1 ZINC000802213374 1311467896 /nfs/dbraw/zinc/46/78/96/1311467896.db2.gz XRXYOAXOPRHOGT-GFCCVEGCSA-N -1 0 347.321 2.544 20 30 EFEDRM N#Cc1ccnc(N2CCC(Oc3cccc([O-])c3[N+](=O)[O-])CC2)c1 ZINC001225620784 1311555149 /nfs/dbraw/zinc/55/51/49/1311555149.db2.gz VDFADDMQYLVLFP-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM COC(=O)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1Cl ZINC001226007935 1311601003 /nfs/dbraw/zinc/60/10/03/1311601003.db2.gz BQKALRXWZSOHKM-GFCCVEGCSA-N -1 0 336.706 2.744 20 30 EFEDRM CCOC(=O)[C@@H](CCc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009415 1311601052 /nfs/dbraw/zinc/60/10/52/1311601052.db2.gz XFAUCRHOCJVKGE-OAHLLOKOSA-N -1 0 344.342 2.741 20 30 EFEDRM C=C(C)C[C@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])C(=C)C ZINC001226015076 1311601438 /nfs/dbraw/zinc/60/14/38/1311601438.db2.gz CDEUJPIGFFMQRL-JTQLQIEISA-N -1 0 337.332 2.557 20 30 EFEDRM CC[C@H]1OC(=O)C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)=C1C ZINC001226063907 1311607869 /nfs/dbraw/zinc/60/78/69/1311607869.db2.gz MIENJDYRTNKMHP-SECBINFHSA-N -1 0 328.246 2.666 20 30 EFEDRM CCOC(=O)[C@H]1CCC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226065500 1311608646 /nfs/dbraw/zinc/60/86/46/1311608646.db2.gz UJMIWISWSASJSR-KWQFWETISA-N -1 0 344.289 2.788 20 30 EFEDRM CC[C@H]1OC(C)=C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1=O ZINC001226068800 1311608771 /nfs/dbraw/zinc/60/87/71/1311608771.db2.gz WAALOUMUKWQMLY-SECBINFHSA-N -1 0 328.246 2.666 20 30 EFEDRM COC(=O)[C@H]1CC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)CC1 ZINC001226068406 1311608890 /nfs/dbraw/zinc/60/88/90/1311608890.db2.gz OTFXSKLMEUKPPE-KYZUINATSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1C#N ZINC001226221025 1311632623 /nfs/dbraw/zinc/63/26/23/1311632623.db2.gz GLDQSRVSFFOXBH-BXUZGUMPSA-N -1 0 347.415 2.992 20 30 EFEDRM Cc1cc(=O)[n-]c(OC2CC(C(=O)OCc3ccccc3)C2)c1C#N ZINC001226221996 1311632714 /nfs/dbraw/zinc/63/27/14/1311632714.db2.gz RJMSAFQAWZVSTR-UHFFFAOYSA-N -1 0 338.363 2.868 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1C#N ZINC001226222553 1311632813 /nfs/dbraw/zinc/63/28/13/1311632813.db2.gz DSOZRTPTRNYXNO-MRVWCRGKSA-N -1 0 345.399 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221269 1311632908 /nfs/dbraw/zinc/63/29/08/1311632908.db2.gz KJOIQSUJUHNCGQ-TXEJJXNPSA-N -1 0 333.388 2.744 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221579 1311632925 /nfs/dbraw/zinc/63/29/25/1311632925.db2.gz MRPGVSWHQZWUBU-NEPJUHHUSA-N -1 0 333.388 2.744 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1C#N ZINC001226222936 1311633258 /nfs/dbraw/zinc/63/32/58/1311633258.db2.gz KHLCSDIJAVUVEW-GXTWGEPZSA-N -1 0 347.415 2.992 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C#N ZINC001226223203 1311633273 /nfs/dbraw/zinc/63/32/73/1311633273.db2.gz MIZLGXPITZFQQF-IACUBPJLSA-N -1 0 345.399 2.744 20 30 EFEDRM O=[N+]([O-])c1ccc([C@@H](Oc2nccc(/C=N/[O-])n2)C(F)(F)F)cc1 ZINC001226256260 1311637615 /nfs/dbraw/zinc/63/76/15/1311637615.db2.gz PJEYOTZLNKZFFX-MBCCIFHSSA-N -1 0 342.233 2.875 20 30 EFEDRM C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)nnc2Br)C(C)(C)O1 ZINC001227067593 1311758207 /nfs/dbraw/zinc/75/82/07/1311758207.db2.gz ZXLDVHRALHNBGT-OQPBUACISA-N -1 0 344.209 2.621 20 30 EFEDRM N#CC1CCC(Oc2ccc(S(=O)(=O)[O-])c3cccnc23)CC1 ZINC001227433222 1311806257 /nfs/dbraw/zinc/80/62/57/1311806257.db2.gz AARRBAIQPHAKCA-UHFFFAOYSA-N -1 0 332.381 2.943 20 30 EFEDRM CC#C[C@@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495019 1311812352 /nfs/dbraw/zinc/81/23/52/1311812352.db2.gz KRYNTKAZEQJOIK-SNVBAGLBSA-N -1 0 340.397 2.988 20 30 EFEDRM C#C[C@H](CC)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227494059 1311812440 /nfs/dbraw/zinc/81/24/40/1311812440.db2.gz NPZDEMLOVFKANH-SECBINFHSA-N -1 0 326.370 2.598 20 30 EFEDRM C#CC(C#C)Oc1c(O)c([O-])cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227502646 1311813520 /nfs/dbraw/zinc/81/35/20/1311813520.db2.gz HKULQFWLZDQXJU-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM CCCCCCCN1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001277224677 1311829169 /nfs/dbraw/zinc/82/91/69/1311829169.db2.gz KZNZHGCGAFFSKA-UHFFFAOYSA-N -1 0 333.392 2.638 20 30 EFEDRM C#C[C@H](Oc1c([O-])c(C(=O)OC)sc1C(=O)OC)c1ccccc1 ZINC001227620974 1311832426 /nfs/dbraw/zinc/83/24/26/1311832426.db2.gz ZBPVRAHZGRHSIU-NSHDSACASA-N -1 0 346.360 2.780 20 30 EFEDRM CSc1nc(O[C@H](C)c2ccccc2C#N)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628083 1311833727 /nfs/dbraw/zinc/83/37/27/1311833727.db2.gz LPKUMKGQBIQZOO-MRVPVSSYSA-N -1 0 332.341 2.824 20 30 EFEDRM C#C[C@@H](CCCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636893 1311834868 /nfs/dbraw/zinc/83/48/68/1311834868.db2.gz CRCBTEQAVCKKIN-NSHDSACASA-N -1 0 338.356 2.909 20 30 EFEDRM C[C@@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O)[C@H](C)S ZINC001227639554 1311835170 /nfs/dbraw/zinc/83/51/70/1311835170.db2.gz ISHOJYSIAZLDGU-BDAKNGLRSA-N -1 0 328.411 2.878 20 30 EFEDRM CCC[C@@H](C#Cc1ccccc1)Oc1c[n-]c(C(=O)OC)cc1=O ZINC001227786006 1311855397 /nfs/dbraw/zinc/85/53/97/1311855397.db2.gz OOIMFHSXDUYQTC-HNNXBMFYSA-N -1 0 325.364 2.761 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(C)C)c(C)c1 ZINC001228199919 1311913720 /nfs/dbraw/zinc/91/37/20/1311913720.db2.gz XJZWVMJKXODHDV-OAHLLOKOSA-N -1 0 328.430 2.956 20 30 EFEDRM COCCCn1nccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000802703630 1311938022 /nfs/dbraw/zinc/93/80/22/1311938022.db2.gz IDOXBVCUVGGYDL-UHFFFAOYSA-N -1 0 336.779 2.717 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(=O)ncc1Cl ZINC001228481031 1311954113 /nfs/dbraw/zinc/95/41/13/1311954113.db2.gz VFPXNEMDYRJNHE-NSHDSACASA-N -1 0 341.795 2.780 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)ncc1Cl ZINC001228483958 1311955011 /nfs/dbraw/zinc/95/50/11/1311955011.db2.gz ZXFBRLGQIWMBME-JTQLQIEISA-N -1 0 325.151 2.949 20 30 EFEDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccccc1C=Nc1ccccc1 ZINC001228565638 1311965550 /nfs/dbraw/zinc/96/55/50/1311965550.db2.gz UBNBNJMXMCTBPD-OAHLLOKOSA-N -1 0 327.336 2.568 20 30 EFEDRM N#C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001228609135 1311969986 /nfs/dbraw/zinc/96/99/86/1311969986.db2.gz ABMNKUPUDABSHP-LLVKDONJSA-N -1 0 330.275 2.751 20 30 EFEDRM Cc1cc2nc3nc(=O)[n-]c(O[C@@H]4CC[C@@H](C#N)C4)c3nc2cc1C ZINC001228683538 1311981803 /nfs/dbraw/zinc/98/18/03/1311981803.db2.gz ANNACCRKVQVFNR-VXGBXAGGSA-N -1 0 335.367 2.967 20 30 EFEDRM CCOC(=O)Cc1cnc(=S)[nH]c1O[C@H](CC#N)c1ccccc1 ZINC001228714413 1311987627 /nfs/dbraw/zinc/98/76/27/1311987627.db2.gz QDGFAPFGKBEEHS-CQSZACIVSA-N -1 0 343.408 2.905 20 30 EFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000015372527 1311993550 /nfs/dbraw/zinc/99/35/50/1311993550.db2.gz UFHMGXOZWASKAA-UHFFFAOYSA-N -1 0 348.811 2.504 20 30 EFEDRM C#C[C@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001228860475 1312011091 /nfs/dbraw/zinc/01/10/91/1312011091.db2.gz UWWJPMUQVSPCEX-JTQLQIEISA-N -1 0 339.229 2.863 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898834 1312016881 /nfs/dbraw/zinc/01/68/81/1312016881.db2.gz MRUVBZZWUQHNKF-CYBMUJFWSA-N -1 0 333.388 2.827 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3[n-]c(=O)ccc3C#N)C[C@@H]21 ZINC001228898915 1312016910 /nfs/dbraw/zinc/01/69/10/1312016910.db2.gz OUPMRIHVHSIVQA-XBFCOCLRSA-N -1 0 345.399 2.826 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1OC[C@@H]1Cc2cccc(Br)c2O1 ZINC001228901533 1312017586 /nfs/dbraw/zinc/01/75/86/1312017586.db2.gz MHIACKQCOGJGTM-NSHDSACASA-N -1 0 347.168 2.804 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1occ2c1CCC2 ZINC000802797698 1312032330 /nfs/dbraw/zinc/03/23/30/1312032330.db2.gz ZOMKACXLSMSSIV-CQSZACIVSA-N -1 0 344.317 2.685 20 30 EFEDRM N#CCN1CC[C@H](Oc2cc(O)ccc2C(=O)Cc2ccccc2)C1 ZINC001229259876 1312069118 /nfs/dbraw/zinc/06/91/18/1312069118.db2.gz OSPDHVQZZQNHMC-KRWDZBQOSA-N -1 0 336.391 2.794 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2sccc2C)cc1 ZINC000802868299 1312092232 /nfs/dbraw/zinc/09/22/32/1312092232.db2.gz JFZPMIUUGMTKPS-UHFFFAOYSA-N -1 0 337.422 2.740 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@H](C)CON ZINC001229411909 1312092653 /nfs/dbraw/zinc/09/26/53/1312092653.db2.gz WNPRNJJBDPVZEM-BUUCAEBMSA-N -1 0 343.379 2.955 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC[C@@H]1CCCO1 ZINC000113651186 1312100994 /nfs/dbraw/zinc/10/09/94/1312100994.db2.gz FZEOCCWSIOLSPE-ZFWWWQNUSA-N -1 0 340.379 2.564 20 30 EFEDRM Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000802891991 1312114809 /nfs/dbraw/zinc/11/48/09/1312114809.db2.gz XTNVFHSZEHQLIY-UHFFFAOYSA-N -1 0 347.378 2.652 20 30 EFEDRM CC(C)C[C@](C)(C#N)NC(F)(F)c1cc(Cl)nnc1C(=O)[O-] ZINC001162519445 1312118319 /nfs/dbraw/zinc/11/83/19/1312118319.db2.gz FUZKMLIIBKLLIW-GFCCVEGCSA-N -1 0 332.738 2.795 20 30 EFEDRM N#CC1(CCCCN2c3ccsc3C([O-])=CS2(=O)=O)CCC1 ZINC000902804726 1312121737 /nfs/dbraw/zinc/12/17/37/1312121737.db2.gz GNDBWBIFXTXICY-UHFFFAOYSA-N -1 0 338.454 2.945 20 30 EFEDRM C#C[C@H](Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001229792992 1312140553 /nfs/dbraw/zinc/14/05/53/1312140553.db2.gz WDPXCTHLRQRVSV-NSHDSACASA-N -1 0 346.368 2.741 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1-c1ccccn1 ZINC001230316333 1312221585 /nfs/dbraw/zinc/22/15/85/1312221585.db2.gz SDQKOKBIWHBJOF-AWEZNQCLSA-N -1 0 349.408 2.586 20 30 EFEDRM C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21 ZINC001230665610 1312305203 /nfs/dbraw/zinc/30/52/03/1312305203.db2.gz GUFIXEKEDNPISP-JTQLQIEISA-N -1 0 328.324 2.968 20 30 EFEDRM CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2c3ccccc3oc21 ZINC001230665505 1312305444 /nfs/dbraw/zinc/30/54/44/1312305444.db2.gz GCHMAPFGVLDSPV-SNVBAGLBSA-N -1 0 341.323 2.696 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)c1C#N ZINC000903086670 1312341116 /nfs/dbraw/zinc/34/11/16/1312341116.db2.gz BJCVBKGOMSBHKW-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)c1C#N ZINC000903093054 1312347752 /nfs/dbraw/zinc/34/77/52/1312347752.db2.gz GVLZQXMOOHINGR-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n1 ZINC000903140836 1312400055 /nfs/dbraw/zinc/40/00/55/1312400055.db2.gz INGXEDXYVAVSDG-NSHDSACASA-N -1 0 334.228 2.587 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)cc(C)n1)C1CCCCC1 ZINC000903141045 1312400897 /nfs/dbraw/zinc/40/08/97/1312400897.db2.gz KLYAQMOIKJJZPD-HNNXBMFYSA-N -1 0 337.445 2.599 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)c(C)c1C ZINC000903141614 1312402042 /nfs/dbraw/zinc/40/20/42/1312402042.db2.gz UHIDZKSBTNEIBM-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM C=C[C@@H]1O[C@H](Oc2cccc3oc(=S)[n-]c32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001231069232 1312422727 /nfs/dbraw/zinc/42/27/27/1312422727.db2.gz ZWRKSVCBEFZCRD-PWURMNTRSA-N -1 0 335.381 2.926 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1sc(C)cc1C#N ZINC000903170153 1312426212 /nfs/dbraw/zinc/42/62/12/1312426212.db2.gz WVDLDTTYKZEOGN-UHFFFAOYSA-N -1 0 338.458 2.587 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C#N ZINC000903173418 1312428344 /nfs/dbraw/zinc/42/83/44/1312428344.db2.gz OMVCLJTXZPQHTI-UHFFFAOYSA-N -1 0 332.429 2.699 20 30 EFEDRM CC[C@@H](C#CC(=O)OC)Oc1ccccc1C(=O)c1ccccc1[O-] ZINC001231218961 1312455898 /nfs/dbraw/zinc/45/58/98/1312455898.db2.gz NZIKWNRVPNJSHY-AWEZNQCLSA-N -1 0 338.359 2.957 20 30 EFEDRM N#C[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1F ZINC001231227405 1312457306 /nfs/dbraw/zinc/45/73/06/1312457306.db2.gz JVBCGOABJBNNGI-CQSZACIVSA-N -1 0 333.231 2.991 20 30 EFEDRM C[C@H]1COC[C@@H]1Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231232268 1312458624 /nfs/dbraw/zinc/45/86/24/1312458624.db2.gz UYFMXIVHGDBMDK-XPTSAGLGSA-N -1 0 339.307 2.611 20 30 EFEDRM O=C([N-]CCNc1ccc(F)c(OC(F)(F)F)c1)C(F)(F)F ZINC001164243893 1312476987 /nfs/dbraw/zinc/47/69/87/1312476987.db2.gz KPLMUTFFRCMNCA-UHFFFAOYSA-N -1 0 334.191 2.815 20 30 EFEDRM N#CC1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])CCC1=O ZINC001231679363 1312548831 /nfs/dbraw/zinc/54/88/31/1312548831.db2.gz IWTZCHACDAVMPI-OAHLLOKOSA-N -1 0 334.375 2.966 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2cccc(C(=O)[O-])c2OC)c1 ZINC001211039121 1314427292 /nfs/dbraw/zinc/42/72/92/1314427292.db2.gz MITZSAICXVRGGF-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)nc2)no1 ZINC001245495246 1314500540 /nfs/dbraw/zinc/50/05/40/1314500540.db2.gz GVWIGRFSCYJNEN-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM COc1cnc(SC)nc1-n1[n-]c(-c2ccc(C#N)cc2)cc1=O ZINC001245933695 1314551544 /nfs/dbraw/zinc/55/15/44/1314551544.db2.gz SXJDRCFWKABISX-UHFFFAOYSA-N -1 0 339.380 2.637 20 30 EFEDRM CN(C)c1ccc(-c2cc(=O)n(C(=O)c3ccc(C#N)cc3)[n-]2)cc1 ZINC001245944765 1314553088 /nfs/dbraw/zinc/55/30/88/1314553088.db2.gz QWDFWAAFSPVROM-UHFFFAOYSA-N -1 0 332.363 2.882 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1cc(OC)cc(C(=O)[O-])c1 ZINC001213594602 1314578624 /nfs/dbraw/zinc/57/86/24/1314578624.db2.gz DIELKMKPUNDMRI-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2cc(OC)cc(C(=O)[O-])c2)c1 ZINC001213597430 1314579380 /nfs/dbraw/zinc/57/93/80/1314579380.db2.gz YNVRXBJADKVWBA-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1cc(C(=O)[O-])ccc1OCC ZINC001214270814 1314670138 /nfs/dbraw/zinc/67/01/38/1314670138.db2.gz QAQVNXNIISSHKO-UHFFFAOYSA-N -1 0 339.355 2.853 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC)c(C#N)c2)c1 ZINC001214998827 1314767176 /nfs/dbraw/zinc/76/71/76/1314767176.db2.gz JNFVIEGOUGYDOS-UHFFFAOYSA-N -1 0 332.381 2.810 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(F)c(C(=O)[O-])c1F ZINC001215281149 1314808610 /nfs/dbraw/zinc/80/86/10/1314808610.db2.gz JIZKPNOOIGOPTM-UHFFFAOYSA-N -1 0 345.305 2.946 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215614667 1314857605 /nfs/dbraw/zinc/85/76/05/1314857605.db2.gz PMTOZZGVLIQAFW-UHFFFAOYSA-N -1 0 345.305 2.946 20 30 EFEDRM COC(=O)c1cc(C#N)cc(Nc2cc(CC(=O)[O-])ccc2F)c1 ZINC001216683351 1314993109 /nfs/dbraw/zinc/99/31/09/1314993109.db2.gz KIYYPIJKNGXQOK-UHFFFAOYSA-N -1 0 328.299 2.855 20 30 EFEDRM COC(=O)c1ccc(Nc2cc(CC(=O)[O-])ccc2F)c(C#N)c1 ZINC001216685514 1314993341 /nfs/dbraw/zinc/99/33/41/1314993341.db2.gz TXUJONYSLRMRHA-UHFFFAOYSA-N -1 0 328.299 2.855 20 30 EFEDRM Cc1ccc2[n-]cc(-c3nc(-c4ccc(C#N)cn4)no3)c(=O)c2c1 ZINC001217415226 1315070118 /nfs/dbraw/zinc/07/01/18/1315070118.db2.gz GAEXHWQLSGNMOJ-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1ccc2c(c1)[n-]c(-c1nc(-c3ccc(C#N)cn3)no1)cc2=O ZINC001217463236 1315074419 /nfs/dbraw/zinc/07/44/19/1315074419.db2.gz OMSYTIOWCNKROR-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1ccnc(-c2noc(-c3cc(=O)c4cccc(C#N)c4[n-]3)n2)c1 ZINC001217506540 1315079580 /nfs/dbraw/zinc/07/95/80/1315079580.db2.gz LLZWXCFBCDISQN-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COc1nc(Cl)c(/C=C\C(=O)c2csc(C(=O)[O-])c2)n1C ZINC001318371975 1328566367 /nfs/dbraw/zinc/56/63/67/1328566367.db2.gz HCGDVLAQNBMUFU-ARJAWSKDSA-N -1 0 326.761 2.738 20 30 EFEDRM N#CCCN(Cc1cccnc1)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249762060 1315133210 /nfs/dbraw/zinc/13/32/10/1315133210.db2.gz ZZTGOINQYYGSRK-UHFFFAOYSA-N -1 0 331.322 2.974 20 30 EFEDRM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cc1 ZINC000749157996 1315263538 /nfs/dbraw/zinc/26/35/38/1315263538.db2.gz LXPNWWKZXKAFEA-UHFFFAOYSA-N -1 0 343.408 2.983 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccs1 ZINC001250875814 1315286334 /nfs/dbraw/zinc/28/63/34/1315286334.db2.gz ONGSCFSZLXCDGN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC001251611083 1315358933 /nfs/dbraw/zinc/35/89/33/1315358933.db2.gz DLNZLXVJEKKVQT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC001251653100 1315363585 /nfs/dbraw/zinc/36/35/85/1315363585.db2.gz SKYZLMOUYUZNSY-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001252101954 1315413187 /nfs/dbraw/zinc/41/31/87/1315413187.db2.gz FJRRVJQNNDRNBO-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000315329815 1315416473 /nfs/dbraw/zinc/41/64/73/1315416473.db2.gz AVVRVWGCJDDOJP-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001252360050 1315439045 /nfs/dbraw/zinc/43/90/45/1315439045.db2.gz YRMYFUKXLPHWFJ-UHFFFAOYSA-N -1 0 347.087 2.721 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)C(F)(F)F ZINC001252353075 1315438376 /nfs/dbraw/zinc/43/83/76/1315438376.db2.gz MCPWYWIJXGGJQL-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)nc1 ZINC001252364356 1315439432 /nfs/dbraw/zinc/43/94/32/1315439432.db2.gz HCXCWLWYFHTWLG-UHFFFAOYSA-N -1 0 327.287 2.882 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000316284826 1315457982 /nfs/dbraw/zinc/45/79/82/1315457982.db2.gz GQRYZDYMOKSIRQ-LLVKDONJSA-N -1 0 338.212 2.691 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC001252975397 1315545499 /nfs/dbraw/zinc/54/54/99/1315545499.db2.gz WPNGTXWNERAJDV-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM CCCCCCCCCC[C@@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC ZINC001252985811 1315545820 /nfs/dbraw/zinc/54/58/20/1315545820.db2.gz HMCPOHRMVJGYOU-CVEARBPZSA-N -1 0 345.480 2.874 20 30 EFEDRM C=CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)/C=C/c1ccccc1 ZINC001253064693 1315562155 /nfs/dbraw/zinc/56/21/55/1315562155.db2.gz GYKVXCFRJSJXIJ-TYZQSYOASA-N -1 0 337.441 2.721 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]c1cc(C(F)(F)F)cnc1F ZINC001253123644 1315572761 /nfs/dbraw/zinc/57/27/61/1315572761.db2.gz HRTDPYVRTUGUSS-UHFFFAOYSA-N -1 0 326.193 2.544 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1ccc(C(F)(F)F)cc1F ZINC001253223652 1315582750 /nfs/dbraw/zinc/58/27/50/1315582750.db2.gz DJUVPRHQPXTKEZ-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM CC(C)Oc1ccccc1OC[C@H](O)CNc1scc([O-])c1C#N ZINC001253991187 1315662744 /nfs/dbraw/zinc/66/27/44/1315662744.db2.gz KONNBIGGOYJPFY-GFCCVEGCSA-N -1 0 348.424 2.964 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([C@@H](C)C#N)cc1 ZINC001254032660 1315667164 /nfs/dbraw/zinc/66/71/64/1315667164.db2.gz XOXSOPODLADVRH-LBPRGKRZSA-N -1 0 344.392 2.901 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001254032050 1315667300 /nfs/dbraw/zinc/66/73/00/1315667300.db2.gz FFXZGAIMMCAATR-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C#CCOc1ccc(OCc2cn(-c3ccccc3C(=O)[O-])nn2)cc1 ZINC001254098667 1315672659 /nfs/dbraw/zinc/67/26/59/1315672659.db2.gz KLIMVSVWHDGZLH-UHFFFAOYSA-N -1 0 349.346 2.557 20 30 EFEDRM N#Cc1cc(F)cc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)c1 ZINC001254164423 1315677046 /nfs/dbraw/zinc/67/70/46/1315677046.db2.gz RXXVPPMLLVBWSL-UHFFFAOYSA-N -1 0 348.293 2.757 20 30 EFEDRM C#CCCc1c(CCCC)nnn1-c1cc2ccc([O-])cc2oc1=O ZINC001254164339 1315677288 /nfs/dbraw/zinc/67/72/88/1315677288.db2.gz PPYIHHXWAXLPHD-UHFFFAOYSA-N -1 0 337.379 2.988 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001254347515 1315696208 /nfs/dbraw/zinc/69/62/08/1315696208.db2.gz NVKPMNHRISPOBK-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001254425846 1315703624 /nfs/dbraw/zinc/70/36/24/1315703624.db2.gz WOGOTPCVJUEXAB-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1F ZINC001254440504 1315704188 /nfs/dbraw/zinc/70/41/88/1315704188.db2.gz YXCUUCOMJCBLLO-UHFFFAOYSA-N -1 0 335.356 2.625 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCN(C)C2 ZINC001254514287 1315713248 /nfs/dbraw/zinc/71/32/48/1315713248.db2.gz VEKSJUHPDBAVPN-UHFFFAOYSA-N -1 0 347.465 2.717 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001254702267 1315742029 /nfs/dbraw/zinc/74/20/29/1315742029.db2.gz HXEJZULPEVGACX-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)cc1 ZINC001255151731 1315783916 /nfs/dbraw/zinc/78/39/16/1315783916.db2.gz FDIFCNYUHDXQSS-UHFFFAOYSA-N -1 0 340.408 2.887 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1F ZINC001255416693 1315821241 /nfs/dbraw/zinc/82/12/41/1315821241.db2.gz UNOIWNZVKZJICD-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001255732380 1315862658 /nfs/dbraw/zinc/86/26/58/1315862658.db2.gz KFGSXBKOCMOVSI-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C#N ZINC001255856467 1315873424 /nfs/dbraw/zinc/87/34/24/1315873424.db2.gz WKNCKSDFEGZAIC-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1cc(C#N)ccc1[O-])C2 ZINC001278894413 1315877681 /nfs/dbraw/zinc/87/76/81/1315877681.db2.gz BUVDZEGBACXJEV-SFHVURJKSA-N -1 0 349.434 2.573 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256073615 1315900185 /nfs/dbraw/zinc/90/01/85/1315900185.db2.gz WMWHEHWSGVREHY-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C#N ZINC001256126119 1315907041 /nfs/dbraw/zinc/90/70/41/1315907041.db2.gz RQNALIGDQXJJLK-UHFFFAOYSA-N -1 0 325.777 2.926 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(Cl)c(OCCC)c(OC)c1)C(=O)[O-] ZINC001256551424 1315955415 /nfs/dbraw/zinc/95/54/15/1315955415.db2.gz RWIAJBPTYRHRSJ-LBPRGKRZSA-N -1 0 341.791 2.897 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(OCc2csc(C)n2)c1)C(=O)[O-] ZINC001256550097 1315955785 /nfs/dbraw/zinc/95/57/85/1315955785.db2.gz FBNISTLSYLUMMT-HNNXBMFYSA-N -1 0 346.408 2.790 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)cc1OC ZINC001257097835 1316033327 /nfs/dbraw/zinc/03/33/27/1316033327.db2.gz MSIWXBONZBZHBE-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC001257916227 1316104147 /nfs/dbraw/zinc/10/41/47/1316104147.db2.gz ZXXYYWVLWFIDRH-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(CC2CCC2)n1 ZINC001258045823 1316114944 /nfs/dbraw/zinc/11/49/44/1316114944.db2.gz XOPVIWHWBKSORE-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM Cc1cccc(-n2nccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258044964 1316115178 /nfs/dbraw/zinc/11/51/78/1316115178.db2.gz BCWVNECNIGRZHX-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(-c3ccccn3)c2)cc1 ZINC001258053650 1316115571 /nfs/dbraw/zinc/11/55/71/1316115571.db2.gz IQVBKQDDMAHXTP-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccn2)cc1 ZINC001258053605 1316115707 /nfs/dbraw/zinc/11/57/07/1316115707.db2.gz GVBZKBHKGXCNBW-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)cc1 ZINC001258054012 1316115872 /nfs/dbraw/zinc/11/58/72/1316115872.db2.gz VVENDAOQVYSPFG-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM COc1ccc2cccnc2c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258136470 1316123751 /nfs/dbraw/zinc/12/37/51/1316123751.db2.gz XCWUQGZBYBIMJU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cc2ccccc2)no1 ZINC001258196229 1316130226 /nfs/dbraw/zinc/13/02/26/1316130226.db2.gz AOUOIKFJISKQSG-UHFFFAOYSA-N -1 0 339.376 2.938 20 30 EFEDRM Cc1nc2sccc2c([N-]S(=O)(=O)c2ccccc2C#N)n1 ZINC001258196332 1316130696 /nfs/dbraw/zinc/13/06/96/1316130696.db2.gz IUEHLHFZKLWDIY-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COC(=O)c1sc(C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258196399 1316130735 /nfs/dbraw/zinc/13/07/35/1316130735.db2.gz OOHHTDXZQYAXBD-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001258208826 1316131357 /nfs/dbraw/zinc/13/13/57/1316131357.db2.gz ZEIZPRLSNIETAJ-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccccc2C#N)c1C#N ZINC001258208423 1316131462 /nfs/dbraw/zinc/13/14/62/1316131462.db2.gz OXCGPRQOPJCKJZ-UHFFFAOYSA-N -1 0 330.369 2.516 20 30 EFEDRM CC(=O)c1oc2cccnc2c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258208742 1316131499 /nfs/dbraw/zinc/13/14/99/1316131499.db2.gz VXBOMDTWNUPYSN-UHFFFAOYSA-N -1 0 341.348 2.703 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1nc(F)c(F)c(Cl)c1F ZINC001258214464 1316131977 /nfs/dbraw/zinc/13/19/77/1316131977.db2.gz HGGOOAPOWCWTOK-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ncccc1N1CCCCC1 ZINC001258214811 1316132062 /nfs/dbraw/zinc/13/20/62/1316132062.db2.gz RIPDTKKWVIXSKE-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM CCOC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258273933 1316135882 /nfs/dbraw/zinc/13/58/82/1316135882.db2.gz UHWABIBBZMPXFH-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CCOC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258273395 1316135897 /nfs/dbraw/zinc/13/58/97/1316135897.db2.gz IBAWXJSHMABELY-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3ccccc3C#N)ccc2n1 ZINC001258279325 1316136142 /nfs/dbraw/zinc/13/61/42/1316136142.db2.gz ZZGDELVTDWLXSR-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c2ncccc12 ZINC001258706312 1316172687 /nfs/dbraw/zinc/17/26/87/1316172687.db2.gz IBPDCKZESGOKFH-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC001258911569 1316191810 /nfs/dbraw/zinc/19/18/10/1316191810.db2.gz YVDLRZOCJAXUQQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258916707 1316192352 /nfs/dbraw/zinc/19/23/52/1316192352.db2.gz RJLCSTVUISKMMB-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C#N)c1 ZINC001258927753 1316192748 /nfs/dbraw/zinc/19/27/48/1316192748.db2.gz SRLQJROQGWBPJD-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(C)cc1C#N ZINC001258932227 1316193708 /nfs/dbraw/zinc/19/37/08/1316193708.db2.gz MUOQDEARAZBMOX-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258941575 1316194671 /nfs/dbraw/zinc/19/46/71/1316194671.db2.gz DAZIPNVKBBXFDP-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1F ZINC001258948377 1316195257 /nfs/dbraw/zinc/19/52/57/1316195257.db2.gz MQBGCNFMCNXJOW-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC001258949456 1316195858 /nfs/dbraw/zinc/19/58/58/1316195858.db2.gz CSPWEYKGRBOTMB-CYBMUJFWSA-N -1 0 326.299 2.647 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(OC)c1 ZINC001258959035 1316197218 /nfs/dbraw/zinc/19/72/18/1316197218.db2.gz DROQUHQMGKBILM-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC001259040589 1316201193 /nfs/dbraw/zinc/20/11/93/1316201193.db2.gz USHVNWVEGGEYCL-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC001259046302 1316201766 /nfs/dbraw/zinc/20/17/66/1316201766.db2.gz WDNIZYPBGHOGLQ-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC001259043556 1316201955 /nfs/dbraw/zinc/20/19/55/1316201955.db2.gz POMGMIWXUZNSQC-UHFFFAOYSA-N -1 0 333.331 2.655 20 30 EFEDRM Cn1ncc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC001259046850 1316202297 /nfs/dbraw/zinc/20/22/97/1316202297.db2.gz YHFQOQBZMKGBKW-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#CC12CCC([N-]S(=O)(=O)c3c(F)cccc3F)(CC1)CC2 ZINC001259071713 1316204838 /nfs/dbraw/zinc/20/48/38/1316204838.db2.gz JFKMUFQOQALKNV-UHFFFAOYSA-N -1 0 326.368 2.860 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1C#N ZINC001259079591 1316205787 /nfs/dbraw/zinc/20/57/87/1316205787.db2.gz GVABASSWVYNVHH-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091850 1316207425 /nfs/dbraw/zinc/20/74/25/1316207425.db2.gz ZYBICHDOHKBLBM-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCOc1cccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107013 1316210298 /nfs/dbraw/zinc/21/02/98/1316210298.db2.gz YMHXANJYZUQOMS-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC001259106215 1316210464 /nfs/dbraw/zinc/21/04/64/1316210464.db2.gz DDYGGTHXPCYCKG-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2F)c(Cl)c1 ZINC001259106850 1316210480 /nfs/dbraw/zinc/21/04/80/1316210480.db2.gz NYNZASUYEAOVFF-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1nc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107459 1316210618 /nfs/dbraw/zinc/21/06/18/1316210618.db2.gz YPZQIDSUYUQVCB-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cccc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)n21 ZINC001259107788 1316210704 /nfs/dbraw/zinc/21/07/04/1316210704.db2.gz QSSYLWSZVCCGBU-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)c(Cl)c1 ZINC001259107164 1316210725 /nfs/dbraw/zinc/21/07/25/1316210725.db2.gz IGZYGHVUKSSMEV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)c(Cl)c1 ZINC001259112781 1316211205 /nfs/dbraw/zinc/21/12/05/1316211205.db2.gz JMAZDHLXMRMYCJ-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)c(Cl)c1 ZINC001259112551 1316211223 /nfs/dbraw/zinc/21/12/23/1316211223.db2.gz SNCXXWMOSOXWBI-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM Cn1ncc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c21 ZINC001259112451 1316211226 /nfs/dbraw/zinc/21/12/26/1316211226.db2.gz KGRUKQQSDXKOPM-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cncc(OC(F)(F)F)c2)c1 ZINC001259119241 1316211691 /nfs/dbraw/zinc/21/16/91/1316211691.db2.gz PWPBWYLDAPPXSY-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnccc2OC(F)(F)F)c1 ZINC001259118719 1316211752 /nfs/dbraw/zinc/21/17/52/1316211752.db2.gz PFXNBDCMFVCFEL-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)c1 ZINC001259118593 1316211892 /nfs/dbraw/zinc/21/18/92/1316211892.db2.gz LRXHAYLYOYZLFB-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259152058 1316213555 /nfs/dbraw/zinc/21/35/55/1316213555.db2.gz QDCKDXHWBAEALU-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259152110 1316213793 /nfs/dbraw/zinc/21/37/93/1316213793.db2.gz SRJJBJQMUXMONS-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259157755 1316214123 /nfs/dbraw/zinc/21/41/23/1316214123.db2.gz UVVAXROHKVALPU-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259157780 1316214188 /nfs/dbraw/zinc/21/41/88/1316214188.db2.gz WCYOKKFOVSUDFY-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1 ZINC001259172729 1316214817 /nfs/dbraw/zinc/21/48/17/1316214817.db2.gz OGVTXBXCRSFJTD-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1nc(Cl)ccc1C#N ZINC001259196860 1316218435 /nfs/dbraw/zinc/21/84/35/1316218435.db2.gz IIJIXAGFZMNJBO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001259205666 1316220350 /nfs/dbraw/zinc/22/03/50/1316220350.db2.gz FSEIPIBPRGORDF-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2nc3ncccc3cc2C#N)cc1 ZINC001259258982 1316223406 /nfs/dbraw/zinc/22/34/06/1316223406.db2.gz OHAIYTGUPXQGFQ-UHFFFAOYSA-N -1 0 338.392 2.752 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C#N)sc2c1 ZINC001259300052 1316226942 /nfs/dbraw/zinc/22/69/42/1316226942.db2.gz CDYIMAUQBVBQOY-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1OC ZINC001259300923 1316227412 /nfs/dbraw/zinc/22/74/12/1316227412.db2.gz HGSYDJDRALNONF-UHFFFAOYSA-N -1 0 347.392 2.839 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC001259331701 1316230934 /nfs/dbraw/zinc/23/09/34/1316230934.db2.gz HXBFQVSPMUAEHG-UHFFFAOYSA-N -1 0 335.388 2.926 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C#N)c1C ZINC001259349960 1316231950 /nfs/dbraw/zinc/23/19/50/1316231950.db2.gz HNLQKDLLAQWNFA-UHFFFAOYSA-N -1 0 334.422 2.972 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259355851 1316232407 /nfs/dbraw/zinc/23/24/07/1316232407.db2.gz FERLMGPACXATKD-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357473 1316232765 /nfs/dbraw/zinc/23/27/65/1316232765.db2.gz HEVBLIVHPKNWHF-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357816 1316232772 /nfs/dbraw/zinc/23/27/72/1316232772.db2.gz UAUURHXMGPGJEM-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)s1 ZINC001259363188 1316233389 /nfs/dbraw/zinc/23/33/89/1316233389.db2.gz GVKMKPOLTSMROW-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391439 1316236127 /nfs/dbraw/zinc/23/61/27/1316236127.db2.gz KEYGQYHXWSKODV-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1Cl ZINC001259412633 1316239150 /nfs/dbraw/zinc/23/91/50/1316239150.db2.gz NQPKREZNPVRYFL-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)ccc1F ZINC001259411016 1316239449 /nfs/dbraw/zinc/23/94/49/1316239449.db2.gz KFPBDTDLAFPRRC-UHFFFAOYSA-N -1 0 349.368 2.813 20 30 EFEDRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC001259417289 1316239652 /nfs/dbraw/zinc/23/96/52/1316239652.db2.gz NZVKPJFZCLQECM-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)ccc1F ZINC001259419455 1316240355 /nfs/dbraw/zinc/24/03/55/1316240355.db2.gz ZWQUDSOCYPNTEC-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)ccc1F ZINC001259418677 1316240583 /nfs/dbraw/zinc/24/05/83/1316240583.db2.gz LFIJGJBQEWXPOK-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259453572 1316244882 /nfs/dbraw/zinc/24/48/82/1316244882.db2.gz VYLCWFUYHBGQKQ-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001259486550 1316250348 /nfs/dbraw/zinc/25/03/48/1316250348.db2.gz KTKPWEMUELHOQM-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259506903 1316253371 /nfs/dbraw/zinc/25/33/71/1316253371.db2.gz PZROTMOPQPVGGE-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1O ZINC001259511654 1316254166 /nfs/dbraw/zinc/25/41/66/1316254166.db2.gz VLVVVISAIGFVPF-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2)c(OC(F)(F)F)c1 ZINC001259607470 1316260888 /nfs/dbraw/zinc/26/08/88/1316260888.db2.gz WCHHPSSLZLXGPS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccnc1 ZINC001259608155 1316261123 /nfs/dbraw/zinc/26/11/23/1316261123.db2.gz VASXZPXRUVJBAW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c1 ZINC001259742749 1316271282 /nfs/dbraw/zinc/27/12/82/1316271282.db2.gz CIWMDIPCBIHHSR-UHFFFAOYSA-N -1 0 338.392 2.752 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(C#N)c1 ZINC001259761156 1316274211 /nfs/dbraw/zinc/27/42/11/1316274211.db2.gz NVUGTSUGXWGVBA-UHFFFAOYSA-N -1 0 346.383 2.884 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259759451 1316274270 /nfs/dbraw/zinc/27/42/70/1316274270.db2.gz DIWLDPVFKIVAAD-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259773124 1316275981 /nfs/dbraw/zinc/27/59/81/1316275981.db2.gz IBBFNWYXHVDGKN-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)C1CCCCC1 ZINC001259808979 1316282141 /nfs/dbraw/zinc/28/21/41/1316282141.db2.gz NDVAJCIRVTXAOC-UHFFFAOYSA-N -1 0 330.413 2.818 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cc(C#N)cc(C(F)(F)F)c2)cn1 ZINC001259838183 1316285251 /nfs/dbraw/zinc/28/52/51/1316285251.db2.gz XEMPRGKNECMGGH-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1 ZINC001259892709 1316294209 /nfs/dbraw/zinc/29/42/09/1316294209.db2.gz DIYXYASNKYCQOA-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1 ZINC001259899923 1316294897 /nfs/dbraw/zinc/29/48/97/1316294897.db2.gz AIANWDJWZDABGO-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259917068 1316297523 /nfs/dbraw/zinc/29/75/23/1316297523.db2.gz VOYDGNYODPFAFN-UHFFFAOYSA-N -1 0 335.212 2.786 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2cc(Cl)ccc2c1C#N ZINC001259965713 1316302565 /nfs/dbraw/zinc/30/25/65/1316302565.db2.gz INWJXBLUQYBHBU-UHFFFAOYSA-N -1 0 330.818 2.814 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)c1C#N ZINC001259990681 1316304286 /nfs/dbraw/zinc/30/42/86/1316304286.db2.gz ZEUHASGPPKANIH-UHFFFAOYSA-N -1 0 335.366 2.977 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1Cl ZINC001260005613 1316305477 /nfs/dbraw/zinc/30/54/77/1316305477.db2.gz IKVGITOPOLOKAC-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C#N ZINC001260011056 1316306112 /nfs/dbraw/zinc/30/61/12/1316306112.db2.gz WTGPVHKHQGJNHR-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM Cc1ccccc1CS(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001260016129 1316307058 /nfs/dbraw/zinc/30/70/58/1316307058.db2.gz ZRMVXVUFHGWGLL-UHFFFAOYSA-N -1 0 338.392 2.752 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001260038208 1316309574 /nfs/dbraw/zinc/30/95/74/1316309574.db2.gz TZDYCEHQSWPWQY-UHFFFAOYSA-N -1 0 331.275 2.507 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1 ZINC001260037386 1316309764 /nfs/dbraw/zinc/30/97/64/1316309764.db2.gz MNIZKFBOPKMJAT-UHFFFAOYSA-N -1 0 336.442 2.649 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C#N ZINC001260039701 1316309993 /nfs/dbraw/zinc/30/99/93/1316309993.db2.gz UAFINLRBKXPBJO-UHFFFAOYSA-N -1 0 346.799 2.729 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2sccc2C)c(C#N)c1 ZINC001260068501 1316312606 /nfs/dbraw/zinc/31/26/06/1316312606.db2.gz FMDDZAQLXHTPNL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21 ZINC001260109959 1316316421 /nfs/dbraw/zinc/31/64/21/1316316421.db2.gz CQFBUKHABPUHDV-UHFFFAOYSA-N -1 0 340.408 2.863 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1C ZINC001260111828 1316316591 /nfs/dbraw/zinc/31/65/91/1316316591.db2.gz QCIOFNGMUZFKRH-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1C#N ZINC001260196088 1316322221 /nfs/dbraw/zinc/32/22/21/1316322221.db2.gz RSGGBSNHIATIGJ-UHFFFAOYSA-N -1 0 333.703 2.587 20 30 EFEDRM CCc1cc(C#N)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189133 1316321350 /nfs/dbraw/zinc/32/13/50/1316321350.db2.gz GXAXUVGQIXFILC-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c(O)c1 ZINC001260203174 1316323302 /nfs/dbraw/zinc/32/33/02/1316323302.db2.gz AYTHBNNVALFINR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260349021 1316332933 /nfs/dbraw/zinc/33/29/33/1316332933.db2.gz QSLMVWCLUJNLLX-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260354020 1316333810 /nfs/dbraw/zinc/33/38/10/1316333810.db2.gz RXHBIQBGQZAHMA-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C#N ZINC001260353974 1316333829 /nfs/dbraw/zinc/33/38/29/1316333829.db2.gz PLMPSJIGICMOAP-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260382532 1316336107 /nfs/dbraw/zinc/33/61/07/1316336107.db2.gz VGWPGADQDFWYID-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cccc3nsnc32)c(C#N)c1C ZINC001260383468 1316336480 /nfs/dbraw/zinc/33/64/80/1316336480.db2.gz UDJLJZAEFQLPIM-UHFFFAOYSA-N -1 0 334.382 2.574 20 30 EFEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260441274 1316338967 /nfs/dbraw/zinc/33/89/67/1316338967.db2.gz ZJLPUXIAPSZYEI-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)c1 ZINC001260527176 1316343378 /nfs/dbraw/zinc/34/33/78/1316343378.db2.gz CJXBBUBYGGKBNC-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260527725 1316343544 /nfs/dbraw/zinc/34/35/44/1316343544.db2.gz FKWGIBWWPAORGN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2cccc(C#C[Si](C)(C)C)c2)cn1C ZINC001260549680 1316345593 /nfs/dbraw/zinc/34/55/93/1316345593.db2.gz OFBCMRRUCDDHLC-UHFFFAOYSA-N -1 0 347.516 2.758 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cc1 ZINC001260568044 1316346123 /nfs/dbraw/zinc/34/61/23/1316346123.db2.gz UPOVVUKQLRAYNW-UHFFFAOYSA-N -1 0 332.429 2.825 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2C#N)cc1 ZINC001260573158 1316347382 /nfs/dbraw/zinc/34/73/82/1316347382.db2.gz POLJJECUROTMDK-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260621742 1316349569 /nfs/dbraw/zinc/34/95/69/1316349569.db2.gz LBDUHOQKVKPDGR-UHFFFAOYSA-N -1 0 342.355 2.582 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(C#N)c1 ZINC001260627718 1316349861 /nfs/dbraw/zinc/34/98/61/1316349861.db2.gz ORAUACHDVHCZBU-UHFFFAOYSA-N -1 0 332.356 2.842 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1C ZINC001260632522 1316350695 /nfs/dbraw/zinc/35/06/95/1316350695.db2.gz GOCOMRICNIDAGD-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1C#N ZINC001260649398 1316354018 /nfs/dbraw/zinc/35/40/18/1316354018.db2.gz YMYPDRFFWQTUQD-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC001260684929 1316358687 /nfs/dbraw/zinc/35/86/87/1316358687.db2.gz DVRRWUKMWYQECB-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cnccc3C#N)ccc2O1 ZINC001260713361 1316361939 /nfs/dbraw/zinc/36/19/39/1316361939.db2.gz WVAIZNPBRGKCCZ-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM CC[C@@H](C)S(=O)(=O)[N-]c1c(C#N)c(SC)sc1C(=O)OC ZINC001260725991 1316362988 /nfs/dbraw/zinc/36/29/88/1316362988.db2.gz XPNPCFYZOULTJS-SSDOTTSWSA-N -1 0 348.471 2.668 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC001260760441 1316365450 /nfs/dbraw/zinc/36/54/50/1316365450.db2.gz KBQUPACELRYPHN-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001260766051 1316366469 /nfs/dbraw/zinc/36/64/69/1316366469.db2.gz CYLYRSJNTSYZML-UHFFFAOYSA-N -1 0 335.360 2.519 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1oc(C)nc1C#N ZINC001260779489 1316368259 /nfs/dbraw/zinc/36/82/59/1316368259.db2.gz ACPWKQBQZGHYBG-UHFFFAOYSA-N -1 0 341.776 2.626 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c1 ZINC001260803324 1316369904 /nfs/dbraw/zinc/36/99/04/1316369904.db2.gz CZANOVYWCUEPFF-UHFFFAOYSA-N -1 0 333.369 2.527 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001260809916 1316370165 /nfs/dbraw/zinc/37/01/65/1316370165.db2.gz QCKHHRUKTPIQPB-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c1 ZINC001260839786 1316373751 /nfs/dbraw/zinc/37/37/51/1316373751.db2.gz XTGUHVSEBSIIAS-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1C#N ZINC001260888975 1316375752 /nfs/dbraw/zinc/37/57/52/1316375752.db2.gz VQBFYAKIBWXKAJ-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccc(F)cc1)c1cn[nH]c1 ZINC001260961292 1316377828 /nfs/dbraw/zinc/37/78/28/1316377828.db2.gz OUPFTXHLYBGGDC-UHFFFAOYSA-N -1 0 341.367 2.749 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001261015524 1316384963 /nfs/dbraw/zinc/38/49/63/1316384963.db2.gz ZEJOJMBWCQRPJH-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)o1 ZINC001261015165 1316384967 /nfs/dbraw/zinc/38/49/67/1316384967.db2.gz FOFXMNBZDNVJFS-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1sc2ccccc2c1C#N ZINC001261024251 1316385303 /nfs/dbraw/zinc/38/53/03/1316385303.db2.gz QUGHPGXNXHNRDB-UHFFFAOYSA-N -1 0 332.410 2.914 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C#N)n1 ZINC001261077211 1316388639 /nfs/dbraw/zinc/38/86/39/1316388639.db2.gz OBSQSKDSSXCAIX-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001261292128 1316402506 /nfs/dbraw/zinc/40/25/06/1316402506.db2.gz VAPNMDJBWQLYDR-JOYOIKCWSA-N -1 0 328.315 2.678 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1)OCC ZINC001262176241 1316450896 /nfs/dbraw/zinc/45/08/96/1316450896.db2.gz GAEHLPJREKMUCY-MRXNPFEDSA-N -1 0 343.383 2.880 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)[n-]c1C#N ZINC001262174188 1316450904 /nfs/dbraw/zinc/45/09/04/1316450904.db2.gz KHFDLJSBKWRIGU-UHFFFAOYSA-N -1 0 344.256 2.905 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1)OCC ZINC001262176240 1316450909 /nfs/dbraw/zinc/45/09/09/1316450909.db2.gz GAEHLPJREKMUCY-INIZCTEOSA-N -1 0 343.383 2.880 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N(C)CCCF ZINC001262983546 1316512456 /nfs/dbraw/zinc/51/24/56/1316512456.db2.gz PBLPMLPIJQUPPF-UHFFFAOYSA-N -1 0 335.339 2.541 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCCC(C)(C)C1 ZINC001262983425 1316512516 /nfs/dbraw/zinc/51/25/16/1316512516.db2.gz LLFWXOUDODGBDO-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001263294349 1316528286 /nfs/dbraw/zinc/52/82/86/1316528286.db2.gz TYZFYIFNESTESH-ZDUSSCGKSA-N -1 0 346.394 2.790 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C ZINC001263292618 1316528471 /nfs/dbraw/zinc/52/84/71/1316528471.db2.gz MYVNQTPNXUAQAY-AWEZNQCLSA-N -1 0 326.400 2.592 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccoc1 ZINC001263345011 1316535094 /nfs/dbraw/zinc/53/50/94/1316535094.db2.gz WNKSFXSMBIZBOM-UHFFFAOYSA-N -1 0 342.403 2.673 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001263376244 1316538891 /nfs/dbraw/zinc/53/88/91/1316538891.db2.gz QCOHBMOOFDONOT-CQSZACIVSA-N -1 0 347.334 2.919 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001263376243 1316538919 /nfs/dbraw/zinc/53/89/19/1316538919.db2.gz QCOHBMOOFDONOT-AWEZNQCLSA-N -1 0 347.334 2.919 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccc1 ZINC001263381024 1316540290 /nfs/dbraw/zinc/54/02/90/1316540290.db2.gz HPYZNYAPBFBIRT-ZDUSSCGKSA-N -1 0 336.326 2.905 20 30 EFEDRM COc1cc(OC)nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC001263485638 1316545535 /nfs/dbraw/zinc/54/55/35/1316545535.db2.gz HXSRBFHVVYEZOW-SECBINFHSA-N -1 0 346.412 2.738 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)c1 ZINC001319527846 1328909489 /nfs/dbraw/zinc/90/94/89/1328909489.db2.gz ZZFFDUWQQZTUDJ-KRWDZBQOSA-N -1 0 336.395 2.652 20 30 EFEDRM COC(=O)c1c[nH]c2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc21 ZINC001301008381 1324518051 /nfs/dbraw/zinc/51/80/51/1324518051.db2.gz NIXIUPMPGJCVJS-UHFFFAOYSA-N -1 0 335.319 2.784 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001321110465 1329344145 /nfs/dbraw/zinc/34/41/45/1329344145.db2.gz LGRFDHWMPODMCT-SNVBAGLBSA-N -1 0 325.434 2.784 20 30 EFEDRM C=CC[C@H](NC(=O)c1csc(Cc2ccccc2F)n1)C(=O)[O-] ZINC001321206747 1329356741 /nfs/dbraw/zinc/35/67/41/1329356741.db2.gz QVVNHVQNTUEWKR-LBPRGKRZSA-N -1 0 334.372 2.632 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC001321279125 1329367143 /nfs/dbraw/zinc/36/71/43/1329367143.db2.gz XQGWXWUGICGDFH-AWEZNQCLSA-N -1 0 337.395 2.500 20 30 EFEDRM C=CC[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)[O-] ZINC001321339929 1329375033 /nfs/dbraw/zinc/37/50/33/1329375033.db2.gz SPWGVXHDRXNHFR-LBPRGKRZSA-N -1 0 340.217 2.872 20 30 EFEDRM C=CC[C@@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)C(=O)[O-] ZINC001321581948 1329396709 /nfs/dbraw/zinc/39/67/09/1329396709.db2.gz CENWOXGNTQPBEJ-CYBMUJFWSA-N -1 0 340.782 2.839 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1cc(Cl)ccc1OCC)C(=O)[O-] ZINC001321582918 1329396882 /nfs/dbraw/zinc/39/68/82/1329396882.db2.gz KFQRZFZFXJRNJD-ZDUSSCGKSA-N -1 0 340.807 2.610 20 30 EFEDRM C=CC[C@H](NC(=O)c1nn(-c2ccccc2Cl)cc1C)C(=O)[O-] ZINC001321658725 1329401550 /nfs/dbraw/zinc/40/15/50/1329401550.db2.gz UVUXDSNGJVDXCP-LBPRGKRZSA-N -1 0 333.775 2.593 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 ZINC001318058063 1328485053 /nfs/dbraw/zinc/48/50/53/1328485053.db2.gz RXAVCRQWOINYRK-BENRWUELSA-N -1 0 344.367 2.606 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(OC)cc1C(F)(F)F)C(=O)[O-] ZINC001322514771 1329464662 /nfs/dbraw/zinc/46/46/62/1329464662.db2.gz QVJHIZBGNKUPGF-LBPRGKRZSA-N -1 0 346.305 2.543 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(COc2ccc(C)nc2)c1)C(=O)[O-] ZINC001322603083 1329471483 /nfs/dbraw/zinc/47/14/83/1329471483.db2.gz WCZUMQVNZHCXRE-QGZVFWFLSA-N -1 0 340.379 2.728 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001323513245 1329548399 /nfs/dbraw/zinc/54/83/99/1329548399.db2.gz HEGVQUMIMHEFDG-UHFFFAOYSA-N -1 0 345.362 2.974 20 30 EFEDRM C=CC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001324623965 1329645685 /nfs/dbraw/zinc/64/56/85/1329645685.db2.gz FBYARPQCSNYQGT-NSHDSACASA-N -1 0 328.752 2.551 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001326177000 1329736653 /nfs/dbraw/zinc/73/66/53/1329736653.db2.gz JPJXHNGUEUKSFO-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM CN(C)c1ncccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001326683352 1330347441 /nfs/dbraw/zinc/34/74/41/1330347441.db2.gz BRORYULQCPFYPF-CMDGGOBGSA-N -1 0 326.352 2.507 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001326930590 1330385977 /nfs/dbraw/zinc/38/59/77/1330385977.db2.gz LQKSITOFUHQFNB-GFCCVEGCSA-N -1 0 330.306 2.576 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnc(OCC(C)C)c(Cl)c1)C(=O)[O-] ZINC001327012412 1330398627 /nfs/dbraw/zinc/39/86/27/1330398627.db2.gz BXYCEYFUAUFXBN-GFCCVEGCSA-N -1 0 326.780 2.529 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccccc3OC)CCC2)CC1 ZINC001327559503 1330497647 /nfs/dbraw/zinc/49/76/47/1330497647.db2.gz HHPUZIABBPZPEE-UHFFFAOYSA-N -1 0 349.452 2.672 20 30 EFEDRM C=CC[C@H](NC(=O)Cc1sc(C)nc1-c1cccs1)C(=O)[O-] ZINC001327818778 1330518050 /nfs/dbraw/zinc/51/80/50/1330518050.db2.gz LUVIPFPPRAIOTB-JTQLQIEISA-N -1 0 336.438 2.868 20 30 EFEDRM C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001331981415 1330900295 /nfs/dbraw/zinc/90/02/95/1330900295.db2.gz GDJNUROBVLAGQR-JTQLQIEISA-N -1 0 332.169 2.803 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001333156447 1331085575 /nfs/dbraw/zinc/08/55/75/1331085575.db2.gz JKINAYZVIPWLHK-UHFFFAOYSA-N -1 0 327.428 2.590 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1CC)C(=O)[O-] ZINC001333521055 1331159557 /nfs/dbraw/zinc/15/95/57/1331159557.db2.gz BXPLCVSTTNPMIY-AWEZNQCLSA-N -1 0 327.384 2.502 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC001333659614 1331189392 /nfs/dbraw/zinc/18/93/92/1331189392.db2.gz MYYZLNLVXILCNI-RQJHMYQMSA-N -1 0 337.323 2.551 20 30 EFEDRM CC(C)(C)c1ccc(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)nn1 ZINC001336559787 1331483390 /nfs/dbraw/zinc/48/33/90/1331483390.db2.gz PBESJAXOQSBTSG-UHFFFAOYSA-N -1 0 338.371 2.795 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001338709162 1331727899 /nfs/dbraw/zinc/72/78/99/1331727899.db2.gz LDOGWDYPPWHBGV-VXGBXAGGSA-N -1 0 340.431 2.596 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001338851864 1331747325 /nfs/dbraw/zinc/74/73/25/1331747325.db2.gz OJAZKJYEUHHWJZ-STQMWFEESA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1CCC(C(F)(F)F)CC1 ZINC001338885810 1331752870 /nfs/dbraw/zinc/75/28/70/1331752870.db2.gz UVWYYMJMKVAFOT-UHFFFAOYSA-N -1 0 343.309 2.603 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@H](CF)C1 ZINC001339037649 1331775321 /nfs/dbraw/zinc/77/53/21/1331775321.db2.gz SODJQXAEWQAUQB-LLVKDONJSA-N -1 0 347.350 2.541 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001339281184 1331834020 /nfs/dbraw/zinc/83/40/20/1331834020.db2.gz OKPVBIMSIHFTCV-ZDUSSCGKSA-N -1 0 343.452 2.793 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001339814960 1332104424 /nfs/dbraw/zinc/10/44/24/1332104424.db2.gz QUELAIOOSWPUQC-CHWSQXEVSA-N -1 0 338.415 2.586 20 30 EFEDRM CCOC(=O)COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC001339964134 1332120927 /nfs/dbraw/zinc/12/09/27/1332120927.db2.gz CFWGPCRFFDUCGG-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@@H](C)C1 ZINC001340502679 1332197442 /nfs/dbraw/zinc/19/74/42/1332197442.db2.gz VGFYHKCSIZTCGV-LLVKDONJSA-N -1 0 329.360 2.591 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH]c(Br)c1 ZINC001341786387 1332284111 /nfs/dbraw/zinc/28/41/11/1332284111.db2.gz QLJANAZHQYFVSK-NSHDSACASA-N -1 0 338.205 2.549 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cnn1CC(C)C ZINC001341803254 1332285341 /nfs/dbraw/zinc/28/53/41/1332285341.db2.gz SDZFBBBUHKKZSP-AWEZNQCLSA-N -1 0 348.410 2.863 20 30 EFEDRM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1nc(N)c2ccccc2n1 ZINC001341804017 1332285349 /nfs/dbraw/zinc/28/53/49/1332285349.db2.gz HOAXHTWBVAORLL-GFCCVEGCSA-N -1 0 328.335 2.578 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)CC(C)(C)C ZINC001342053720 1332299508 /nfs/dbraw/zinc/29/95/08/1332299508.db2.gz MXZAYBHAGSDKLO-UHFFFAOYSA-N -1 0 340.431 2.976 20 30 EFEDRM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nccn1C ZINC001342163620 1332312156 /nfs/dbraw/zinc/31/21/56/1332312156.db2.gz DITOEZWFKAOORH-HNNXBMFYSA-N -1 0 349.394 2.885 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)CCC1CC1 ZINC001342354962 1332328081 /nfs/dbraw/zinc/32/80/81/1332328081.db2.gz LVJBGQVDFROJCC-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CC1CC1 ZINC001343006929 1332338746 /nfs/dbraw/zinc/33/87/46/1332338746.db2.gz IEJLZDVOWUMFGS-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001343509520 1332352555 /nfs/dbraw/zinc/35/25/55/1332352555.db2.gz PBLDJBPLYRRCEX-OLZOCXBDSA-N -1 0 338.415 2.728 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(Cl)c1 ZINC001343562679 1332357915 /nfs/dbraw/zinc/35/79/15/1332357915.db2.gz FKJCJBUUIOOZED-CYBMUJFWSA-N -1 0 349.818 2.927 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nccn3C)cs2)n1C ZINC001343705233 1332370932 /nfs/dbraw/zinc/37/09/32/1332370932.db2.gz OPTNVIQBQYAIRV-LLVKDONJSA-N -1 0 325.397 2.681 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001344334214 1332443119 /nfs/dbraw/zinc/44/31/19/1332443119.db2.gz GVLFJSADFUQLQM-MRVPVSSYSA-N -1 0 340.754 2.690 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC001344551410 1332462893 /nfs/dbraw/zinc/46/28/93/1332462893.db2.gz BWKKXBXJSRQUEC-INIZCTEOSA-N -1 0 338.363 2.698 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC001344551412 1332462895 /nfs/dbraw/zinc/46/28/95/1332462895.db2.gz BWKKXBXJSRQUEC-MRXNPFEDSA-N -1 0 338.363 2.698 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001344553297 1332463166 /nfs/dbraw/zinc/46/31/66/1332463166.db2.gz BCCQWEGLUYHTGN-LLVKDONJSA-N -1 0 331.290 2.663 20 30 EFEDRM C=CCN(CC=C)c1nnc(-c2c[n-]n(CC)c2=O)n1CC(C)C ZINC001344835211 1332486582 /nfs/dbraw/zinc/48/65/82/1332486582.db2.gz LRNUFKAMUVWQQL-UHFFFAOYSA-N -1 0 330.436 2.702 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccc(Br)c1OC)C(=O)[O-] ZINC001345108448 1332509624 /nfs/dbraw/zinc/50/96/24/1332509624.db2.gz UCYCGQYFDQBSNS-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cccc(Br)c1OC)C(=O)[O-] ZINC001345108447 1332509670 /nfs/dbraw/zinc/50/96/70/1332509670.db2.gz UCYCGQYFDQBSNS-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)c3ncc(Cl)n3C)cc12 ZINC001345642195 1332555115 /nfs/dbraw/zinc/55/51/15/1332555115.db2.gz HAFOLVAMHFQQND-SNVBAGLBSA-N -1 0 329.747 2.662 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC001345874669 1332580779 /nfs/dbraw/zinc/58/07/79/1332580779.db2.gz VCDUMOPZRWKHJR-ZIAGYGMSSA-N -1 0 325.368 2.827 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)o1 ZINC001346054181 1332595005 /nfs/dbraw/zinc/59/50/05/1332595005.db2.gz NRZPEEXNUVNQQF-VIFPVBQESA-N -1 0 346.726 2.681 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccnc2N(C)C)c1)C(=O)[O-] ZINC001346401459 1332635468 /nfs/dbraw/zinc/63/54/68/1332635468.db2.gz MKHFXSJFRGCFKO-ASCRHOAZSA-N -1 0 340.379 2.896 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)[C@H](C)C1CC1 ZINC001346670978 1332671118 /nfs/dbraw/zinc/67/11/18/1332671118.db2.gz PNBWFQFTBODRRR-GFCCVEGCSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001348023674 1332794124 /nfs/dbraw/zinc/79/41/24/1332794124.db2.gz KUWASPIOGWUTNV-LLVKDONJSA-N -1 0 334.269 2.673 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001351543893 1333247092 /nfs/dbraw/zinc/24/70/92/1333247092.db2.gz JUIFSFDFJSZCLA-CYBMUJFWSA-N -1 0 344.463 2.926 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001352013328 1333351940 /nfs/dbraw/zinc/35/19/40/1333351940.db2.gz LLORVUPSNCLIFN-WFASDCNBSA-N -1 0 338.415 2.728 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001352013325 1333352242 /nfs/dbraw/zinc/35/22/42/1333352242.db2.gz LLORVUPSNCLIFN-DOMZBBRYSA-N -1 0 338.415 2.728 20 30 EFEDRM Cc1cccc(Oc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2)c1 ZINC001300043973 1333582374 /nfs/dbraw/zinc/58/23/74/1333582374.db2.gz BQSXOEQRNXMKOQ-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM CC(C)(C)OC(=O)N(CCC(=O)Nc1cc(C#N)ccc1[O-])C1CC1 ZINC000847616951 1334006671 /nfs/dbraw/zinc/00/66/71/1334006671.db2.gz VWTWQNGDXIFMCH-UHFFFAOYSA-N -1 0 345.399 2.992 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC000847621402 1334015568 /nfs/dbraw/zinc/01/55/68/1334015568.db2.gz LUHQMXMYHXZCSS-LBPRGKRZSA-N -1 0 342.317 2.629 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2 ZINC000847622358 1334016382 /nfs/dbraw/zinc/01/63/82/1334016382.db2.gz IPHYVTXTSZYIQT-NSHDSACASA-N -1 0 336.413 2.538 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1 ZINC000847621959 1334016931 /nfs/dbraw/zinc/01/69/31/1334016931.db2.gz WPMDIWMWYBDTOJ-INIZCTEOSA-N -1 0 330.428 2.849 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000847636593 1334051874 /nfs/dbraw/zinc/05/18/74/1334051874.db2.gz YGKYTNYTWMVAGL-AWEZNQCLSA-N -1 0 348.468 2.763 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000847643421 1334059612 /nfs/dbraw/zinc/05/96/12/1334059612.db2.gz AKSCXSJEZQWTSB-KBPBESRZSA-N -1 0 336.457 2.619 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2c(F)cccc2F)CC1 ZINC000847710833 1334098767 /nfs/dbraw/zinc/09/87/67/1334098767.db2.gz CESKXWYJMJVDSJ-UHFFFAOYSA-N -1 0 343.395 2.842 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-] ZINC001354295063 1334216953 /nfs/dbraw/zinc/21/69/53/1334216953.db2.gz WPVJXWVAQMFVRZ-OLZOCXBDSA-N -1 0 336.363 2.756 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c1F ZINC001200667113 1334303483 /nfs/dbraw/zinc/30/34/83/1334303483.db2.gz CYEKPHHXYYBNKD-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c1F ZINC001200675564 1334322193 /nfs/dbraw/zinc/32/21/93/1334322193.db2.gz BGTQRJSLWZVIBA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(C)NC(=S)Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1 ZINC001200777221 1334502234 /nfs/dbraw/zinc/50/22/34/1334502234.db2.gz WCWDHIJQMWRRGH-LZYBPNLTSA-N -1 0 347.469 2.916 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1F ZINC001200798818 1334549738 /nfs/dbraw/zinc/54/97/38/1334549738.db2.gz PWOGEFHIVRDNAT-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(C#N)c1 ZINC001200815401 1334587462 /nfs/dbraw/zinc/58/74/62/1334587462.db2.gz KPIYIJIEOCRRTK-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C([O-])Cc1ccc(N=NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000848415649 1334713208 /nfs/dbraw/zinc/71/32/08/1334713208.db2.gz PFKUWQLTYOXLIK-UHFFFAOYSA-N -1 0 329.322 2.740 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000848640832 1334822049 /nfs/dbraw/zinc/82/20/49/1334822049.db2.gz VJYOFXICRZFTSJ-MMQHEFTJSA-N -1 0 340.379 2.967 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC=C(C)C1 ZINC001355941380 1334913039 /nfs/dbraw/zinc/91/30/39/1334913039.db2.gz FLZSKFDGMNFDFX-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cn(C(C)C)nc2C)n1 ZINC000848814589 1334917727 /nfs/dbraw/zinc/91/77/27/1334917727.db2.gz XGSUMUPITUYQJV-LBPRGKRZSA-N -1 0 346.412 2.571 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001355989231 1334925477 /nfs/dbraw/zinc/92/54/77/1334925477.db2.gz BBEJAEPVVZFEFQ-NSHDSACASA-N -1 0 336.307 2.918 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N(C)C1CCC1 ZINC001356006364 1334929197 /nfs/dbraw/zinc/92/91/97/1334929197.db2.gz AONCZZBOQPUTRQ-UHFFFAOYSA-N -1 0 329.360 2.734 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)nn1C ZINC001356028897 1334934566 /nfs/dbraw/zinc/93/45/66/1334934566.db2.gz GDRRHBDPORBLPA-GFCCVEGCSA-N -1 0 334.383 2.559 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001356114873 1334959970 /nfs/dbraw/zinc/95/99/70/1334959970.db2.gz BEJWDEKFLOIDRV-AAEUAGOBSA-N -1 0 341.371 2.591 20 30 EFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])c([O-])c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001356114874 1334960275 /nfs/dbraw/zinc/96/02/75/1334960275.db2.gz BEJWDEKFLOIDRV-DGCLKSJQSA-N -1 0 341.371 2.591 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CC)CC(C)C ZINC001356274757 1335007699 /nfs/dbraw/zinc/00/76/99/1335007699.db2.gz IIBSGCOVGTVNIB-UHFFFAOYSA-N -1 0 340.431 2.976 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001357159325 1335287231 /nfs/dbraw/zinc/28/72/31/1335287231.db2.gz IPIPEWLZPSNNJS-CHWSQXEVSA-N -1 0 330.436 2.535 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001357159326 1335287357 /nfs/dbraw/zinc/28/73/57/1335287357.db2.gz IPIPEWLZPSNNJS-STQMWFEESA-N -1 0 330.436 2.535 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2ccc(C)n2)c1 ZINC001357569324 1335316706 /nfs/dbraw/zinc/31/67/06/1335316706.db2.gz ZPULNWFMMKMWNL-KRWDZBQOSA-N -1 0 338.411 2.810 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)n1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC000849149893 1335559524 /nfs/dbraw/zinc/55/95/24/1335559524.db2.gz HPDXUWIEEFQGHL-CQSZACIVSA-N -1 0 338.333 2.817 20 30 EFEDRM CCOC(=O)C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000849170424 1335563110 /nfs/dbraw/zinc/56/31/10/1335563110.db2.gz OWVRLWLTIKPRPU-OWHAOFTHSA-N -1 0 334.250 2.603 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000849332290 1335592603 /nfs/dbraw/zinc/59/26/03/1335592603.db2.gz LBUUNGQCKFKBSH-QIENPNARSA-N -1 0 335.425 2.761 20 30 EFEDRM N#C[C@@H](CO)Cc1cccc(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC000849475283 1335626258 /nfs/dbraw/zinc/62/62/58/1335626258.db2.gz KQYJLPCSDOCVAC-KBXCAEBGSA-N -1 0 325.364 2.536 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCOc3cc(C)ccc32)cc1C#N ZINC001361308110 1335976703 /nfs/dbraw/zinc/97/67/03/1335976703.db2.gz SFKDJFZQRQUFFK-UHFFFAOYSA-N -1 0 341.392 2.728 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC001361318013 1335985181 /nfs/dbraw/zinc/98/51/81/1335985181.db2.gz CDLFVNYILKCMFM-KRWDZBQOSA-N -1 0 342.424 2.829 20 30 EFEDRM COc1cccc2c1CN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)C2 ZINC001361592736 1336207065 /nfs/dbraw/zinc/20/70/65/1336207065.db2.gz WETUTLWRIZEHEN-UHFFFAOYSA-N -1 0 341.392 2.545 20 30 EFEDRM CSc1ccncc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001362202524 1336551224 /nfs/dbraw/zinc/55/12/24/1336551224.db2.gz ZWDJWLANJJKSEW-UHFFFAOYSA-N -1 0 332.410 2.750 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC001362584097 1336662952 /nfs/dbraw/zinc/66/29/52/1336662952.db2.gz ZXLBVLLWZKIIJQ-ZIAGYGMSSA-N -1 0 329.425 2.641 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC001362584087 1336662977 /nfs/dbraw/zinc/66/29/77/1336662977.db2.gz ZXLBVLLWZKIIJQ-KBPBESRZSA-N -1 0 329.425 2.641 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)c1ncc(Br)cc1[O-] ZINC001362801288 1336747937 /nfs/dbraw/zinc/74/79/37/1336747937.db2.gz SGPVYMBMMMTFQJ-UHFFFAOYSA-N -1 0 344.168 2.624 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)cc1 ZINC001363343504 1336885081 /nfs/dbraw/zinc/88/50/81/1336885081.db2.gz HNIFXIHTISQQFX-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001364736855 1337200241 /nfs/dbraw/zinc/20/02/41/1337200241.db2.gz XKKNUZTUQXVVQN-RULNRJAQSA-N -1 0 328.384 2.939 20 30 EFEDRM C=C(Cl)C[NH2+]C[C@@]1(NC(=O)c2ncccc2O)CCCC[C@H]1C ZINC001373896688 1341193702 /nfs/dbraw/zinc/19/37/02/1341193702.db2.gz LCGAQCLEDRPPDQ-PXAZEXFGSA-N -1 0 337.851 2.808 20 30 EFEDRM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001414210238 1370092614 /nfs/dbraw/zinc/09/26/14/1370092614.db2.gz QIVCZHYGWASMJL-JQWIXIFHSA-N -1 0 328.384 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnn(C3CCC3)c2)cc1C#N ZINC001417585937 1373065830 /nfs/dbraw/zinc/06/58/30/1373065830.db2.gz REJFVKIFQODISY-UHFFFAOYSA-N -1 0 329.385 2.555 20 30 EFEDRM Cc1c(F)c(Br)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001418235453 1373790570 /nfs/dbraw/zinc/79/05/70/1373790570.db2.gz IWDOMUIEXKICSQ-UHFFFAOYSA-N -1 0 348.135 2.615 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC(c3ccccc3)C2)cc1C#N ZINC001418912179 1374677814 /nfs/dbraw/zinc/67/78/14/1374677814.db2.gz WDZPVRYZDORMGZ-UHFFFAOYSA-N -1 0 325.393 2.620 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnn(CC(C)C)c2C)cc1C#N ZINC001446289157 1391550605 /nfs/dbraw/zinc/55/06/05/1391550605.db2.gz HQCZQHWXGBGLFR-UHFFFAOYSA-N -1 0 345.428 2.794 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)O[C@H](C)c2ncccc2F)cc1C#N ZINC001459584706 1395949953 /nfs/dbraw/zinc/94/99/53/1395949953.db2.gz JHRYONLUICYYJL-MRVPVSSYSA-N -1 0 333.344 2.833 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C[C@H](C)C#N)C3CC3)n2)c1 ZINC001466533203 1396760672 /nfs/dbraw/zinc/76/06/72/1396760672.db2.gz CGUSUNPEOVPAEK-GFCCVEGCSA-N -1 0 342.374 2.790 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)c1 ZINC001466839675 1396789923 /nfs/dbraw/zinc/78/99/23/1396789923.db2.gz PRXUOVDAYCOQQL-UHFFFAOYSA-N -1 0 333.355 2.615 20 30 EFEDRM COc1cc(C2(C(=O)Nc3nc(C#N)c(C#N)[n-]3)CCC2)ccc1C ZINC001469561476 1397038509 /nfs/dbraw/zinc/03/85/09/1397038509.db2.gz VSOVUDLIJIEKDY-UHFFFAOYSA-N -1 0 335.367 2.530 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820076367 1428438773 /nfs/dbraw/zinc/43/87/73/1428438773.db2.gz ITWDBOALZIUNDX-UHFFFAOYSA-N -1 0 345.382 2.799 20 30 EFEDRM Cc1cc(C)c2c(c1)OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822195540 1428715689 /nfs/dbraw/zinc/71/56/89/1428715689.db2.gz VGDKLPARXIZJSJ-UHFFFAOYSA-N -1 0 348.410 2.760 20 30 EFEDRM N#CCCN(CCC#N)Cc1cc(C(=O)[O-])ccc1Br ZINC001601066854 1413380149 /nfs/dbraw/zinc/38/01/49/1413380149.db2.gz LCAJNEXRDRTCMH-UHFFFAOYSA-N -1 0 336.189 2.777 20 30 EFEDRM CCn1cc([C@H]2OCC[C@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552447270 1414455282 /nfs/dbraw/zinc/45/52/82/1414455282.db2.gz QSTCUHNNYXTJHN-BBRMVZONSA-N -1 0 328.372 2.777 20 30 EFEDRM Cn1ccnc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552453685 1414457018 /nfs/dbraw/zinc/45/70/18/1414457018.db2.gz LYAFJALDKJKSEK-IUODEOHRSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552453776 1414457414 /nfs/dbraw/zinc/45/74/14/1414457414.db2.gz MLKRGXHQTZYMDG-BZNIZROVSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1ccnc1[C@@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552762387 1414549993 /nfs/dbraw/zinc/54/99/93/1414549993.db2.gz DZELCYLQOCWRRL-IUODEOHRSA-N -1 0 346.362 2.916 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552761654 1414550252 /nfs/dbraw/zinc/55/02/52/1414550252.db2.gz XWSTVOGHGJWQKV-ZFWWWQNUSA-N -1 0 328.372 2.777 20 30 EFEDRM CCn1ccnc1[C@@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552760245 1414550475 /nfs/dbraw/zinc/55/04/75/1414550475.db2.gz NZDNMZPZRFLLQE-UKRRQHHQSA-N -1 0 328.372 2.777 20 30 EFEDRM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953808 1428831758 /nfs/dbraw/zinc/83/17/58/1428831758.db2.gz RANHJWAPGRYTGM-UHFFFAOYSA-N -1 0 346.316 2.798 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001556985095 1415100342 /nfs/dbraw/zinc/10/03/42/1415100342.db2.gz JQBIMHXQDPWLAA-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM C[C@@H](C#N)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819857490 1428918520 /nfs/dbraw/zinc/91/85/20/1428918520.db2.gz RZWUWARLEPGEDR-LBPRGKRZSA-N -1 0 349.350 2.975 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)n21 ZINC000826305479 1428920238 /nfs/dbraw/zinc/92/02/38/1428920238.db2.gz XYUQSOQRHGAGII-AATRIKPKSA-N -1 0 336.380 2.780 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1csc(C#N)c1 ZINC001567974905 1416348657 /nfs/dbraw/zinc/34/86/57/1416348657.db2.gz GPLHURFPZTUWRE-UHFFFAOYSA-N -1 0 325.353 2.671 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)s3)nc21 ZINC000822333135 1429240087 /nfs/dbraw/zinc/24/00/87/1429240087.db2.gz YAPSMRDZRKXWHR-VIFPVBQESA-N -1 0 349.379 2.603 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C1CCCC1 ZINC000153450688 1418259592 /nfs/dbraw/zinc/25/95/92/1418259592.db2.gz MZEVCPJQJOHIFM-HNNXBMFYSA-N -1 0 328.416 2.688 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000821304552 1429319852 /nfs/dbraw/zinc/31/98/52/1429319852.db2.gz KMGGGOFQOFDOKC-UHFFFAOYSA-N -1 0 347.382 2.617 20 30 EFEDRM C=CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735403208 1429418454 /nfs/dbraw/zinc/41/84/54/1429418454.db2.gz RIMNUKXYXZPSQB-UHFFFAOYSA-N -1 0 332.795 2.950 20 30 EFEDRM CCc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)o1 ZINC000821477073 1429452880 /nfs/dbraw/zinc/45/28/80/1429452880.db2.gz XJOUCFYGXKMRKF-UHFFFAOYSA-N -1 0 329.364 2.970 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000735418183 1429613937 /nfs/dbraw/zinc/61/39/37/1429613937.db2.gz CUVFFLPGADPYAM-CZUORRHYSA-N -1 0 340.431 2.753 20 30 EFEDRM Cc1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822075649 1423515572 /nfs/dbraw/zinc/51/55/72/1423515572.db2.gz GYMCCLQMTAQPAO-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736676967 1423699969 /nfs/dbraw/zinc/69/99/69/1423699969.db2.gz XHLADDZFBKJSFS-UHFFFAOYSA-N -1 0 338.396 2.923 20 30 EFEDRM C[C@H](C#N)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819857231 1429667970 /nfs/dbraw/zinc/66/79/70/1429667970.db2.gz PRJJBFWPALHQOM-GFCCVEGCSA-N -1 0 333.351 2.850 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(O)cc(O)c1 ZINC000823958304 1423989330 /nfs/dbraw/zinc/98/93/30/1423989330.db2.gz IERCURTVCJXQLE-UHFFFAOYSA-N -1 0 344.762 2.767 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1ccccc1-c1ccccc1C#N)c1nn[n-]n1 ZINC000183410482 1423994179 /nfs/dbraw/zinc/99/41/79/1423994179.db2.gz FCNZRXSLDIGHAP-ZDUSSCGKSA-N -1 0 346.394 2.614 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1-c1nn[n-]n1 ZINC000820643453 1423999496 /nfs/dbraw/zinc/99/94/96/1423999496.db2.gz WTTMCLNWUNUKRN-UHFFFAOYSA-N -1 0 340.387 2.532 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735506340 1424051411 /nfs/dbraw/zinc/05/14/11/1424051411.db2.gz WAPWBBMDNJWOEA-LBPRGKRZSA-N -1 0 349.350 2.515 20 30 EFEDRM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C)OCC ZINC000823874137 1424385921 /nfs/dbraw/zinc/38/59/21/1424385921.db2.gz TYTNKASOZHINLN-OAHLLOKOSA-N -1 0 330.388 2.590 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823899368 1429730560 /nfs/dbraw/zinc/73/05/60/1429730560.db2.gz UNUBFIDRNPQNTL-UHFFFAOYSA-N -1 0 333.367 2.707 20 30 EFEDRM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367468 1429734942 /nfs/dbraw/zinc/73/49/42/1429734942.db2.gz QMRIAFJQORBBRR-XFXZXTDPSA-N -1 0 344.378 2.805 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC000826400529 1424805244 /nfs/dbraw/zinc/80/52/44/1424805244.db2.gz AWEZYZSQTBBTOA-GORDUTHDSA-N -1 0 336.326 2.837 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C#N)cc1Cl ZINC000826172914 1429767504 /nfs/dbraw/zinc/76/75/04/1429767504.db2.gz DETCIJVLUJEDJA-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824000059 1424966330 /nfs/dbraw/zinc/96/63/30/1424966330.db2.gz SFROHMLDYRQXDT-BJMVGYQFSA-N -1 0 333.351 2.721 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000677644473 1425155681 /nfs/dbraw/zinc/15/56/81/1425155681.db2.gz PYMPFVNIUDNFNH-RDTXWAMCSA-N -1 0 333.395 2.765 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)CCCC3)o1 ZINC000819782226 1425302692 /nfs/dbraw/zinc/30/26/92/1425302692.db2.gz IAKGNZCPQSYCGR-UHFFFAOYSA-N -1 0 343.416 2.940 20 30 EFEDRM N#Cc1ncn(Cc2sc3ccccc3c2Cl)c1-c1nn[n-]n1 ZINC000826388049 1425393894 /nfs/dbraw/zinc/39/38/94/1425393894.db2.gz GQFWHNHWFOBFKY-UHFFFAOYSA-N -1 0 341.787 2.851 20 30 EFEDRM O=C(C=Cc1ccc(O)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400931 1425451640 /nfs/dbraw/zinc/45/16/40/1425451640.db2.gz LFJTWFKSXZXUPA-ORCRQEGFSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000822923458 1425493667 /nfs/dbraw/zinc/49/36/67/1425493667.db2.gz SDYWUJMCAUIJCX-SREVYHEPSA-N -1 0 339.286 2.810 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381774 1425524569 /nfs/dbraw/zinc/52/45/69/1425524569.db2.gz YSWJQAOLIINGCL-CYBMUJFWSA-N -1 0 338.396 2.703 20 30 EFEDRM N#CCCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)CC1CC1 ZINC000822810852 1425677622 /nfs/dbraw/zinc/67/76/22/1425677622.db2.gz NFHCREYREVNAQM-UHFFFAOYSA-N -1 0 348.357 2.594 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403218 1426045172 /nfs/dbraw/zinc/04/51/72/1426045172.db2.gz MOTIDIYUUMKEEV-OWOJBTEDSA-N -1 0 333.354 2.794 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401489 1426184212 /nfs/dbraw/zinc/18/42/12/1426184212.db2.gz ZZDRTGSZOHGBAT-SNAWJCMRSA-N -1 0 327.325 2.733 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCCc2ccc(C(C)C)cc2)o1 ZINC000826322753 1426184937 /nfs/dbraw/zinc/18/49/37/1426184937.db2.gz AKYKBQNTPHKVGA-UHFFFAOYSA-N -1 0 325.376 2.927 20 30 EFEDRM COc1nc2ccccc2cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826221475 1426185694 /nfs/dbraw/zinc/18/56/94/1426185694.db2.gz HRSCDYVOXKRXNH-UHFFFAOYSA-N -1 0 345.366 2.870 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000826246637 1426194185 /nfs/dbraw/zinc/19/41/85/1426194185.db2.gz IGYNTZKZYAKXCC-GFCCVEGCSA-N -1 0 332.367 2.538 20 30 EFEDRM COc1ccc(C=CC(=O)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000737082704 1426348206 /nfs/dbraw/zinc/34/82/06/1426348206.db2.gz YILJTRGJVFJAGE-XQRVVYSFSA-N -1 0 338.371 2.549 20 30 EFEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000820001593 1426383648 /nfs/dbraw/zinc/38/36/48/1426383648.db2.gz UIHMRMFLLGKDHJ-UHFFFAOYSA-N -1 0 348.366 2.534 20 30 EFEDRM N#Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822833823 1426435053 /nfs/dbraw/zinc/43/50/53/1426435053.db2.gz WJEDQWHXSAWNAO-UHFFFAOYSA-N -1 0 328.339 2.666 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000826384853 1426475733 /nfs/dbraw/zinc/47/57/33/1426475733.db2.gz MACWJLIEJUGOGF-ARJAWSKDSA-N -1 0 325.328 2.835 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCCSC ZINC000735420954 1426476685 /nfs/dbraw/zinc/47/66/85/1426476685.db2.gz VXHQGYFVCYSQSA-UHFFFAOYSA-N -1 0 345.472 2.915 20 30 EFEDRM FC(F)COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737639205 1426487543 /nfs/dbraw/zinc/48/75/43/1426487543.db2.gz PBHUKHGYFFNQTD-UHFFFAOYSA-N -1 0 344.325 2.957 20 30 EFEDRM CCc1nc(C=NNc2ccc(-c3nnn[n-]3)cc2)c2ccccn12 ZINC000825745246 1426564409 /nfs/dbraw/zinc/56/44/09/1426564409.db2.gz JYJNEJRSJTWBHR-UHFFFAOYSA-N -1 0 332.371 2.523 20 30 EFEDRM C=C(C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000823873926 1426609823 /nfs/dbraw/zinc/60/98/23/1426609823.db2.gz QIXNNOFQUNUUQY-UHFFFAOYSA-N -1 0 344.444 2.509 20 30 EFEDRM C#Cc1cccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735391336 1426703828 /nfs/dbraw/zinc/70/38/28/1426703828.db2.gz PVORMLZOXIWRFQ-UHFFFAOYSA-N -1 0 338.371 2.796 20 30 EFEDRM Fc1ccc(CON=C2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737647350 1427200133 /nfs/dbraw/zinc/20/01/33/1427200133.db2.gz CGOIBUXNQNGYDJ-UHFFFAOYSA-N -1 0 339.330 2.709 20 30 EFEDRM COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826210307 1427289847 /nfs/dbraw/zinc/28/98/47/1427289847.db2.gz MAKXIVBQNDECMK-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399985 1427304625 /nfs/dbraw/zinc/30/46/25/1427304625.db2.gz MBXTUAICTNOKDM-UXBLZVDNSA-N -1 0 340.289 2.804 20 30 EFEDRM CCC(CC)CN(CCC#N)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820892938 1427318766 /nfs/dbraw/zinc/31/87/66/1427318766.db2.gz HFQLIRFKVNQUQB-KRWDZBQOSA-N -1 0 342.447 2.552 20 30 EFEDRM C=C(C)CN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000819723097 1427473046 /nfs/dbraw/zinc/47/30/46/1427473046.db2.gz YPEDSXJGELHMAW-UHFFFAOYSA-N -1 0 340.387 2.597 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826384663 1427542886 /nfs/dbraw/zinc/54/28/86/1427542886.db2.gz FAVPHLCMDDBGNK-GQCTYLIASA-N -1 0 337.289 2.913 20 30 EFEDRM CC(C)Oc1ccc(N=Cc2cccc(O)c2O)cc1-c1nn[n-]n1 ZINC000820156025 1427596253 /nfs/dbraw/zinc/59/62/53/1427596253.db2.gz ZTZAFRNRMQJVGX-UHFFFAOYSA-N -1 0 339.355 2.816 20 30 EFEDRM COCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826165050 1427625393 /nfs/dbraw/zinc/62/53/93/1427625393.db2.gz CXKRVDLMRACAIO-PLNGDYQASA-N -1 0 345.359 2.505 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736443587 1427671907 /nfs/dbraw/zinc/67/19/07/1427671907.db2.gz AJLXFTIWYDIZDI-ZDUSSCGKSA-N -1 0 330.436 2.988 20 30 EFEDRM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000824148540 1427711836 /nfs/dbraw/zinc/71/18/36/1427711836.db2.gz ZEDDDZUGUTZBGW-UHFFFAOYSA-N -1 0 349.398 2.742 20 30 EFEDRM N#CCCCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822806051 1427782819 /nfs/dbraw/zinc/78/28/19/1427782819.db2.gz IIFCEIYPJRJKPM-UHFFFAOYSA-N -1 0 327.779 2.596 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1CN(CCC#N)CCC(C)C ZINC000826168798 1427805840 /nfs/dbraw/zinc/80/58/40/1427805840.db2.gz YRWKLLLGBKUYIP-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM CC[C@H]1CCC[C@@H](C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC000825195345 1428094938 /nfs/dbraw/zinc/09/49/38/1428094938.db2.gz WGWDTEXKVVWRFN-UONOGXRCSA-N -1 0 328.420 2.696 20 30 EFEDRM CN(Cc1cccc(C#N)c1)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825976999 1428156804 /nfs/dbraw/zinc/15/68/04/1428156804.db2.gz VGYZPKHDSIHNMN-UHFFFAOYSA-N -1 0 345.410 2.649 20 30 EFEDRM COc1ccc2c(c1)CC(=NNCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826212486 1429889951 /nfs/dbraw/zinc/88/99/51/1429889951.db2.gz RZPBCGPRGGFIPQ-UHFFFAOYSA-N -1 0 348.410 2.510 20 30 EFEDRM C(=NNCc1cnc2ccccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000819718298 1430062487 /nfs/dbraw/zinc/06/24/87/1430062487.db2.gz FAESNGXWKHOKNH-UHFFFAOYSA-N -1 0 335.396 2.600 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826333449 1430143040 /nfs/dbraw/zinc/14/30/40/1430143040.db2.gz IGKNWYXYCDBIMM-WAYWQWQTSA-N -1 0 346.753 2.597 20 30 EFEDRM C=C(C)CCOC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000819723015 1430152155 /nfs/dbraw/zinc/15/21/55/1430152155.db2.gz UMIBBQBMXFVWCQ-OAHLLOKOSA-N -1 0 330.388 2.780 20 30 EFEDRM C=CCCOCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823898982 1430235043 /nfs/dbraw/zinc/23/50/43/1430235043.db2.gz HAARWJDAMRPCPP-UHFFFAOYSA-N -1 0 338.209 2.634 20 30 EFEDRM C=CCN(Cc1cnn(C(C)C)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914432 1441442727 /nfs/dbraw/zinc/44/27/27/1441442727.db2.gz IPOTWKZZGLSGGA-UHFFFAOYSA-N -1 0 337.431 2.832 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)s1)CCC2 ZINC000822819594 1441470843 /nfs/dbraw/zinc/47/08/43/1441470843.db2.gz XHIKUQABCIKCFD-UHFFFAOYSA-N -1 0 342.409 2.602 20 30 EFEDRM COc1cccc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821877585 1441473898 /nfs/dbraw/zinc/47/38/98/1441473898.db2.gz MTHJYIOHVUKNKV-UITAMQMPSA-N -1 0 340.364 2.596 20 30 EFEDRM N#Cc1ccc(Cl)cc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822826434 1441481471 /nfs/dbraw/zinc/48/14/71/1441481471.db2.gz YKLXWGBQTZMSGY-UHFFFAOYSA-N -1 0 341.758 2.850 20 30 EFEDRM O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000823639486 1441573659 /nfs/dbraw/zinc/57/36/59/1441573659.db2.gz BCKMGBCBHJMOCC-UHFFFAOYSA-N -1 0 348.326 2.702 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826257272 1441610618 /nfs/dbraw/zinc/61/06/18/1441610618.db2.gz VRNGWWVJLBNNPV-GFCCVEGCSA-N -1 0 332.367 2.538 20 30 EFEDRM C=C(CC)COc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000823877926 1441734828 /nfs/dbraw/zinc/73/48/28/1441734828.db2.gz KEDGDPFVUNTYEO-UHFFFAOYSA-N -1 0 339.193 2.983 20 30 EFEDRM COCc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826164903 1441742822 /nfs/dbraw/zinc/74/28/22/1441742822.db2.gz WKYSZIYXAWQASH-UHFFFAOYSA-N -1 0 343.778 2.508 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826333448 1441998736 /nfs/dbraw/zinc/99/87/36/1441998736.db2.gz IGKNWYXYCDBIMM-AATRIKPKSA-N -1 0 346.753 2.597 20 30 EFEDRM FC(F)(F)c1cccc(NN=Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737635691 1442028444 /nfs/dbraw/zinc/02/84/44/1442028444.db2.gz MXSRERKQDXKIOU-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)[nH]c3ccc(F)cc32)o1 ZINC000826323303 1442029555 /nfs/dbraw/zinc/02/95/55/1442029555.db2.gz YZBOJUCHLNXTKU-UHFFFAOYSA-N -1 0 340.322 2.538 20 30 EFEDRM C#CCOc1ccc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380211 1442033760 /nfs/dbraw/zinc/03/37/60/1442033760.db2.gz FNZFJVGVBGHUSO-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000826250324 1442072643 /nfs/dbraw/zinc/07/26/43/1442072643.db2.gz VWMUFQFCJGGCPK-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM COc1cccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000821873218 1442090673 /nfs/dbraw/zinc/09/06/73/1442090673.db2.gz TVFJZTFGBIDWDR-UHFFFAOYSA-N -1 0 333.355 2.803 20 30 EFEDRM C#Cc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000735391598 1442092051 /nfs/dbraw/zinc/09/20/51/1442092051.db2.gz UQPCJTPPXHYREV-UHFFFAOYSA-N -1 0 334.408 2.965 20 30 EFEDRM N#Cc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737720907 1442109225 /nfs/dbraw/zinc/10/92/25/1442109225.db2.gz AZSSFHHHEOJJEL-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400560 1442110064 /nfs/dbraw/zinc/11/00/64/1442110064.db2.gz BIHYUFYMQQSCLJ-SOFGYWHQSA-N -1 0 339.286 2.810 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737410124 1442113742 /nfs/dbraw/zinc/11/37/42/1442113742.db2.gz VCXRHQCLMCRSGX-ZDUSSCGKSA-N -1 0 343.350 2.542 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000822923411 1442148952 /nfs/dbraw/zinc/14/89/52/1442148952.db2.gz RCTHTMYHBGCFFY-SNAWJCMRSA-N -1 0 327.325 2.733 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823898995 1442169515 /nfs/dbraw/zinc/16/95/15/1442169515.db2.gz HEHQPPWVNLLCRR-NSHDSACASA-N -1 0 349.822 2.854 20 30 EFEDRM Cc1ccnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC000826309937 1442177188 /nfs/dbraw/zinc/17/71/88/1442177188.db2.gz GYFDFGBUZNUFIH-UHFFFAOYSA-N -1 0 343.394 2.736 20 30 EFEDRM Cc1cc(NC[C@@H](C)C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209640 1442265933 /nfs/dbraw/zinc/26/59/33/1442265933.db2.gz QNWXSFFACJOTNF-JTQLQIEISA-N -1 0 332.371 2.548 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000826385176 1442389996 /nfs/dbraw/zinc/38/99/96/1442389996.db2.gz AFKKVHNTJCXNKL-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(O)c(C)c2)cc1-c1nn[n-]n1 ZINC000737080900 1442415703 /nfs/dbraw/zinc/41/57/03/1442415703.db2.gz ILXFGJMYGWEBAO-ZZXKWVIFSA-N -1 0 336.351 2.785 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819710014 1442438745 /nfs/dbraw/zinc/43/87/45/1442438745.db2.gz VRVPWJNPSZIXAR-UHFFFAOYSA-N -1 0 341.321 2.769 20 30 EFEDRM CCc1cnccc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825734643 1442473376 /nfs/dbraw/zinc/47/33/76/1442473376.db2.gz LYSLAFQWNULGQV-GQCTYLIASA-N -1 0 335.367 2.729 20 30 EFEDRM CCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386154 1443113101 /nfs/dbraw/zinc/11/31/01/1443113101.db2.gz ZIWJAQMBIYCGFZ-UHFFFAOYSA-N -1 0 332.367 2.599 20 30 EFEDRM CC(C)CN(Cc1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261131 1443278099 /nfs/dbraw/zinc/27/80/99/1443278099.db2.gz BKSWQGFSQVTWQK-UHFFFAOYSA-N -1 0 333.399 2.796 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822016034 1443317760 /nfs/dbraw/zinc/31/77/60/1443317760.db2.gz UGGPQISUEXZTAO-CMDGGOBGSA-N -1 0 335.323 2.979 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000826243452 1443372749 /nfs/dbraw/zinc/37/27/49/1443372749.db2.gz IZNBOZDQVNKPLR-ZDUSSCGKSA-N -1 0 343.350 2.542 20 30 EFEDRM CC#CCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819765835 1443382786 /nfs/dbraw/zinc/38/27/86/1443382786.db2.gz SJNZXJPJOHNUKE-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM C#CCSCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735388030 1443399066 /nfs/dbraw/zinc/39/90/66/1443399066.db2.gz PPEORIAWPQINAQ-UHFFFAOYSA-N -1 0 327.335 2.664 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821668733 1443424372 /nfs/dbraw/zinc/42/43/72/1443424372.db2.gz GHMJVBIBNAZLHO-WCIBSUBMSA-N -1 0 334.335 2.549 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000819733706 1443429067 /nfs/dbraw/zinc/42/90/67/1443429067.db2.gz AMHVRILEBJLQEH-OAHLLOKOSA-N -1 0 336.399 2.643 20 30 EFEDRM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735448523 1443431572 /nfs/dbraw/zinc/43/15/72/1443431572.db2.gz SATXFVZGYMPKMN-XFXZXTDPSA-N -1 0 330.351 2.780 20 30 EFEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402995 1443456707 /nfs/dbraw/zinc/45/67/07/1443456707.db2.gz HKBIQYILDHTCNM-KHPPLWFESA-N -1 0 342.362 2.949 20 30 EFEDRM N#Cc1cc(NC(=O)C2CCC(F)(F)CC2)ccc1-c1nn[n-]n1 ZINC000826384316 1443467233 /nfs/dbraw/zinc/46/72/33/1443467233.db2.gz QKFLXBXXODDWMG-UHFFFAOYSA-N -1 0 332.314 2.502 20 30 EFEDRM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963181 1443481211 /nfs/dbraw/zinc/48/12/11/1443481211.db2.gz XPDCATRJROAIKA-UHFFFAOYSA-N -1 0 348.345 2.785 20 30 EFEDRM COc1ccc(COc2cc(Cl)ccc2C#N)cc1-c1nn[n-]n1 ZINC000826207060 1443504519 /nfs/dbraw/zinc/50/45/19/1443504519.db2.gz YMKFVCWVNMYDRG-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824929477 1443519068 /nfs/dbraw/zinc/51/90/68/1443519068.db2.gz XWOWDIQUFBOGQU-HWPZZCPQSA-N -1 0 344.806 2.722 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CC(C)C ZINC000823910002 1443575004 /nfs/dbraw/zinc/57/50/04/1443575004.db2.gz VPTJEIPKPAWQBM-CQSZACIVSA-N -1 0 342.447 2.999 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824135922 1443633158 /nfs/dbraw/zinc/63/31/58/1443633158.db2.gz KJQCERZMEOEKSH-FNORWQNLSA-N -1 0 340.362 2.923 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1-c1nn[n-]n1 ZINC000822829793 1443637843 /nfs/dbraw/zinc/63/78/43/1443637843.db2.gz JKFQRNOGKRUUBK-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM N#Cc1cc(NC(=O)C[C@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737705775 1443699796 /nfs/dbraw/zinc/69/97/96/1443699796.db2.gz REGOKRPMOXVTHN-CYBMUJFWSA-N -1 0 344.378 2.797 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc3cc(C)c(C)cc3o2)o1 ZINC000822424202 1443725162 /nfs/dbraw/zinc/72/51/62/1443725162.db2.gz UACRJLVKZUXPKT-UHFFFAOYSA-N -1 0 337.343 2.972 20 30 EFEDRM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737704382 1443728054 /nfs/dbraw/zinc/72/80/54/1443728054.db2.gz HVRIYPAKSROSQL-YVMONPNESA-N -1 0 334.314 2.529 20 30 EFEDRM COc1ccc(C=C2Cc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000821786996 1443752874 /nfs/dbraw/zinc/75/28/74/1443752874.db2.gz NBKXSIURVFCOBP-WUXMJOGZSA-N -1 0 336.326 2.837 20 30 EFEDRM N#Cc1cccc(C2(NCc3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000826386484 1443813626 /nfs/dbraw/zinc/81/36/26/1443813626.db2.gz HCGWKMNEONJSBZ-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000825807660 1443833160 /nfs/dbraw/zinc/83/31/60/1443833160.db2.gz TVIIXZTUFQMCSX-BQYQJAHWSA-N -1 0 340.362 2.735 20 30 EFEDRM CCc1nnc(N[C@H](C)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1CC ZINC000821529609 1443840423 /nfs/dbraw/zinc/84/04/23/1443840423.db2.gz XVMZZEJNQKDWTA-LLVKDONJSA-N -1 0 348.414 2.826 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCOc1ccc(C#N)cc1 ZINC000737221109 1443841168 /nfs/dbraw/zinc/84/11/68/1443841168.db2.gz FTXARJZNMLJNKQ-UHFFFAOYSA-N -1 0 335.367 2.813 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)ccc1-c1nn[n-]n1 ZINC000826384297 1443846020 /nfs/dbraw/zinc/84/60/20/1443846020.db2.gz PPRRKQSLPHZOMV-KRWDZBQOSA-N -1 0 344.378 2.871 20 30 EFEDRM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000822427179 1443847133 /nfs/dbraw/zinc/84/71/33/1443847133.db2.gz DQNUEHSFJKAJME-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826383636 1443848786 /nfs/dbraw/zinc/84/87/86/1443848786.db2.gz JQOFAMVYNSQDTC-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)C1CCOCC1 ZINC000820831988 1443858548 /nfs/dbraw/zinc/85/85/48/1443858548.db2.gz GFAWAJHJDRCWDQ-UHFFFAOYSA-N -1 0 347.423 2.658 20 30 EFEDRM Cc1cc(C)n(N=C[C@H]2CCCc3ccccc32)c(=O)c1-c1nn[n-]n1 ZINC000822199049 1443872958 /nfs/dbraw/zinc/87/29/58/1443872958.db2.gz UHDJSGXHYWBIQD-OAHLLOKOSA-N -1 0 348.410 2.599 20 30 EFEDRM Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826262850 1443901237 /nfs/dbraw/zinc/90/12/37/1443901237.db2.gz AICUZLYQZZNBIL-UHFFFAOYSA-N -1 0 332.367 2.916 20 30 EFEDRM CC(C)[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000824216545 1443906106 /nfs/dbraw/zinc/90/61/06/1443906106.db2.gz TXKITVCKRBHDFO-LLVKDONJSA-N -1 0 335.799 2.518 20 30 EFEDRM COc1ccc(CNN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826203340 1443910063 /nfs/dbraw/zinc/91/00/63/1443910063.db2.gz KAONUQXYEHPOSP-UHFFFAOYSA-N -1 0 340.362 2.528 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826333642 1443942423 /nfs/dbraw/zinc/94/24/23/1443942423.db2.gz PNWRGYKRGDKDNH-ONEGZZNKSA-N -1 0 334.792 2.520 20 30 EFEDRM CC[C@@H]1C[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184829 1443978883 /nfs/dbraw/zinc/97/88/83/1443978883.db2.gz ZWQBCDAISYZVFT-WDEREUQCSA-N -1 0 347.423 2.755 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822822932 1443984562 /nfs/dbraw/zinc/98/45/62/1443984562.db2.gz IMJIWOGUMRSVQL-UHFFFAOYSA-N -1 0 338.758 2.573 20 30 EFEDRM CCO[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821351648 1443989724 /nfs/dbraw/zinc/98/97/24/1443989724.db2.gz UOFVLZDHGMDGNO-INIZCTEOSA-N -1 0 340.431 2.682 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc(C)nc1C ZINC000823958202 1444020943 /nfs/dbraw/zinc/02/09/43/1444020943.db2.gz FTUPMSCMQNUVEQ-UHFFFAOYSA-N -1 0 342.794 2.763 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)OCC ZINC000823872796 1444024209 /nfs/dbraw/zinc/02/42/09/1444024209.db2.gz DOWFPEPUEBOSGC-NSHDSACASA-N -1 0 335.433 2.855 20 30 EFEDRM C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819739821 1444032359 /nfs/dbraw/zinc/03/23/59/1444032359.db2.gz IYTBYNMOOPXABX-LLVKDONJSA-N -1 0 346.822 2.521 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735505712 1446102901 /nfs/dbraw/zinc/10/29/01/1446102901.db2.gz VMZZTBSGULLFPP-NSHDSACASA-N -1 0 334.339 2.757 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(F)(F)F ZINC000819743908 1446183605 /nfs/dbraw/zinc/18/36/05/1446183605.db2.gz SIBHPNYILAKPBQ-UHFFFAOYSA-N -1 0 339.321 2.724 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)n2c1 ZINC000826295692 1446185606 /nfs/dbraw/zinc/18/56/06/1446185606.db2.gz UDRFAHUWCCXXIM-ARJAWSKDSA-N -1 0 336.380 2.780 20 30 EFEDRM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830524 1446210118 /nfs/dbraw/zinc/21/01/18/1446210118.db2.gz UTVXNENPOUDYOC-UHFFFAOYSA-N -1 0 344.378 2.698 20 30 EFEDRM FC(F)(F)c1cccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737634690 1446242056 /nfs/dbraw/zinc/24/20/56/1446242056.db2.gz AGMWXCHDYLXTLA-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM N#CC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000822806499 1446256313 /nfs/dbraw/zinc/25/63/13/1446256313.db2.gz OWKFAAZLGWRXOY-UHFFFAOYSA-N -1 0 339.790 2.808 20 30 EFEDRM C=C(CC)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823878122 1446310529 /nfs/dbraw/zinc/31/05/29/1446310529.db2.gz PSJFRSXMERIATG-UHFFFAOYSA-N -1 0 330.388 2.925 20 30 EFEDRM Cc1ccccc1[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822344844 1446364011 /nfs/dbraw/zinc/36/40/11/1446364011.db2.gz BLUXGNOKWYTNTP-SNVBAGLBSA-N -1 0 337.412 2.877 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401128 1446388263 /nfs/dbraw/zinc/38/82/63/1446388263.db2.gz QGMGSNFMJROPNG-KTAJNNJTSA-N -1 0 336.326 2.837 20 30 EFEDRM C[C@@](C#N)(NC(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000819844301 1446389666 /nfs/dbraw/zinc/38/96/66/1446389666.db2.gz BMQCTXJNUZEEAM-HNNXBMFYSA-N -1 0 330.417 2.521 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824000128 1446423510 /nfs/dbraw/zinc/42/35/10/1446423510.db2.gz VROMMSCGKNAWCH-VURMDHGXSA-N -1 0 339.380 2.783 20 30 EFEDRM C#CCOc1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000819709884 1446456881 /nfs/dbraw/zinc/45/68/81/1446456881.db2.gz SOCGYAWGDBVSOR-UHFFFAOYSA-N -1 0 327.731 2.719 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2ccc(F)cc21 ZINC000823503368 1446516835 /nfs/dbraw/zinc/51/68/35/1446516835.db2.gz DXUUELHPNXPVHE-YVMONPNESA-N -1 0 328.328 2.726 20 30 EFEDRM Cc1ccc(C#N)cc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822225205 1446548025 /nfs/dbraw/zinc/54/80/25/1446548025.db2.gz SAMWWLUCJRQVOM-UHFFFAOYSA-N -1 0 330.351 2.879 20 30 EFEDRM COc1ccccc1C=CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821890320 1446557562 /nfs/dbraw/zinc/55/75/62/1446557562.db2.gz LZHPQVDRFWBXHY-HXNRNBTNSA-N -1 0 334.383 2.664 20 30 EFEDRM C=CCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819733939 1446590646 /nfs/dbraw/zinc/59/06/46/1446590646.db2.gz FSTTUZXMIZFYMB-UHFFFAOYSA-N -1 0 341.415 2.593 20 30 EFEDRM C[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735506339 1446706957 /nfs/dbraw/zinc/70/69/57/1446706957.db2.gz WAPWBBMDNJWOEA-GFCCVEGCSA-N -1 0 349.350 2.515 20 30 EFEDRM C#Cc1cccc(N(C)C(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735390925 1446853599 /nfs/dbraw/zinc/85/35/99/1446853599.db2.gz JBUJKCOODYFSMW-UHFFFAOYSA-N -1 0 334.408 2.681 20 30 EFEDRM N#Cc1cc(NC(=O)CC=Cc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000822823210 1446896419 /nfs/dbraw/zinc/89/64/19/1446896419.db2.gz MUHSJIOGOWQPCH-RQOWECAXSA-N -1 0 348.341 2.919 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894933 1446925608 /nfs/dbraw/zinc/92/56/08/1446925608.db2.gz ZTEUUVIINWJLIO-QWHCGFSZSA-N -1 0 328.420 2.972 20 30 EFEDRM N#CC1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000826379977 1446941812 /nfs/dbraw/zinc/94/18/12/1446941812.db2.gz IUYYPGQCEIQVAN-UHFFFAOYSA-N -1 0 345.362 2.994 20 30 EFEDRM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826383495 1446946739 /nfs/dbraw/zinc/94/67/39/1446946739.db2.gz DEGBKADLWXKQHM-KXFIGUGUSA-N -1 0 337.289 2.913 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1CN(CCC#N)CC(C)(C)C ZINC000826181502 1446984041 /nfs/dbraw/zinc/98/40/41/1446984041.db2.gz BAJMHNKPMRPDMN-UHFFFAOYSA-N -1 0 328.420 2.637 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826380404 1447006164 /nfs/dbraw/zinc/00/61/64/1447006164.db2.gz ZJSXVSVANUJOFE-ZBFHGGJFSA-N -1 0 331.383 2.538 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822806705 1447066805 /nfs/dbraw/zinc/06/68/05/1447066805.db2.gz RSTWDEHNKLTFIU-UHFFFAOYSA-N -1 0 345.794 2.678 20 30 EFEDRM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1cccc(F)c1 ZINC000826185074 1447096668 /nfs/dbraw/zinc/09/66/68/1447096668.db2.gz XLBWZUDGSOZGJL-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM C=CCCCC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823894656 1447185063 /nfs/dbraw/zinc/18/50/63/1447185063.db2.gz VTLUSZULGOPTCO-UHFFFAOYSA-N -1 0 325.376 2.531 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203932 1447188638 /nfs/dbraw/zinc/18/86/38/1447188638.db2.gz WQSXRPYUPRIVNJ-VOTSOKGWSA-N -1 0 325.397 2.880 20 30 EFEDRM C=CCC(CC=C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819733855 1447277449 /nfs/dbraw/zinc/27/74/49/1447277449.db2.gz CTBIJWACCDFGKW-UHFFFAOYSA-N -1 0 328.372 2.557 20 30 EFEDRM C=CCCCOc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819739858 1447278185 /nfs/dbraw/zinc/27/81/85/1447278185.db2.gz JJABAFKMZKDYSQ-UHFFFAOYSA-N -1 0 339.193 2.983 20 30 EFEDRM C#CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735374968 1447301147 /nfs/dbraw/zinc/30/11/47/1447301147.db2.gz HDQGPIDBNLUYCR-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM COCC(CC(C)C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736976588 1449060221 /nfs/dbraw/zinc/06/02/21/1449060221.db2.gz FVCWZPLAIZQVPG-UHFFFAOYSA-N -1 0 335.412 2.613 20 30 EFEDRM C#CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000819698415 1449217132 /nfs/dbraw/zinc/21/71/32/1449217132.db2.gz ZFULZBVNBOELDO-UHFFFAOYSA-N -1 0 345.353 2.553 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826383746 1449230565 /nfs/dbraw/zinc/23/05/65/1449230565.db2.gz OGPUUJZNSKFXTP-UHFFFAOYSA-N -1 0 349.741 2.516 20 30 EFEDRM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822814913 1449311786 /nfs/dbraw/zinc/31/17/86/1449311786.db2.gz LHFRCPMPMCBLPV-ALCCZGGFSA-N -1 0 337.364 2.727 20 30 EFEDRM Cn1cc(C=NNc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360720 1449485169 /nfs/dbraw/zinc/48/51/69/1449485169.db2.gz VGQUPOJJYKEZQX-UHFFFAOYSA-N -1 0 344.382 2.713 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc3cc(F)ccc3o2)ccc1-c1nn[n-]n1 ZINC000737707786 1449529016 /nfs/dbraw/zinc/52/90/16/1449529016.db2.gz BONYOMATRJALBX-UHFFFAOYSA-N -1 0 348.297 2.876 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826256892 1449543565 /nfs/dbraw/zinc/54/35/65/1449543565.db2.gz FKSXBHFMEYNCQN-UHFFFAOYSA-N -1 0 347.378 2.723 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822924103 1449574922 /nfs/dbraw/zinc/57/49/22/1449574922.db2.gz XIRLFALWNJTVEU-AATRIKPKSA-N -1 0 327.325 2.733 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824000123 1449616440 /nfs/dbraw/zinc/61/64/40/1449616440.db2.gz VKLUZCHFJSCIGU-VOTSOKGWSA-N -1 0 339.380 2.783 20 30 EFEDRM Cc1cc(C)n(N=CC2CCC(C)(C)CC2)c(=O)c1-c1nn[n-]n1 ZINC000822198637 1449774491 /nfs/dbraw/zinc/77/44/91/1449774491.db2.gz CYNAWDCCUFJFMO-UHFFFAOYSA-N -1 0 328.420 2.696 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716153 1449785752 /nfs/dbraw/zinc/78/57/52/1449785752.db2.gz LPBOWTRHMDRKBU-HOCLYGCPSA-N -1 0 348.341 2.620 20 30 EFEDRM C[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462273 1449821909 /nfs/dbraw/zinc/82/19/09/1449821909.db2.gz WSSFEWGZJSZPKL-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822427388 1449909948 /nfs/dbraw/zinc/90/99/48/1449909948.db2.gz LVEBCYSUBJKUDN-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM C[C@@]1(C#N)CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824776543 1449954473 /nfs/dbraw/zinc/95/44/73/1449954473.db2.gz CHVLACNNHMNQOW-AWEZNQCLSA-N -1 0 347.220 2.759 20 30 EFEDRM C#Cc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709357 1449958857 /nfs/dbraw/zinc/95/88/57/1449958857.db2.gz FEEHGMXHQRETJP-GFCCVEGCSA-N -1 0 348.435 2.896 20 30 EFEDRM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820322407 1449961979 /nfs/dbraw/zinc/96/19/79/1449961979.db2.gz SDFXSCRJBWAONL-LXKVQUBZSA-N -1 0 344.378 2.629 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1OCC#Cc1cccc(Cl)c1 ZINC000821700383 1449990848 /nfs/dbraw/zinc/99/08/48/1449990848.db2.gz MSXHEFDVSQBTPA-UHFFFAOYSA-N -1 0 340.770 2.959 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894096 1450113124 /nfs/dbraw/zinc/11/31/24/1450113124.db2.gz HHSYZZANTRTZFA-ZDUSSCGKSA-N -1 0 345.472 2.961 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735410272 1450287414 /nfs/dbraw/zinc/28/74/14/1450287414.db2.gz YSPJSCZKDCTSQG-VIFPVBQESA-N -1 0 344.444 2.555 20 30 EFEDRM Clc1cc(NN=Cc2ccc3c[nH]nc3c2)ccc1-c1nn[n-]n1 ZINC000826351472 1450311194 /nfs/dbraw/zinc/31/11/94/1450311194.db2.gz NTONVBRSARLPNI-UHFFFAOYSA-N -1 0 338.762 2.842 20 30 EFEDRM Cc1cc(SCCC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826272733 1450425065 /nfs/dbraw/zinc/42/50/65/1450425065.db2.gz YPGZHPOBMYJADC-UHFFFAOYSA-N -1 0 335.396 2.982 20 30 EFEDRM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1O ZINC000821703282 1450452186 /nfs/dbraw/zinc/45/21/86/1450452186.db2.gz XVJBNPBWSIZUGC-HYXAFXHYSA-N -1 0 328.353 2.539 20 30 EFEDRM Cc1nn(-c2ccccc2)c2sc(/C([O-])=N/S(C)(=O)=O)cc12 ZINC000042280175 713007892 /nfs/dbraw/zinc/00/78/92/713007892.db2.gz RJEOYUPLYDVAEJ-UHFFFAOYSA-N -1 0 335.410 2.660 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000187086642 713054715 /nfs/dbraw/zinc/05/47/15/713054715.db2.gz CNNALKRBTJZKOS-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000187585719 713183861 /nfs/dbraw/zinc/18/38/61/713183861.db2.gz MTSGTVDWYQXNDJ-SFHVURJKSA-N -1 0 349.452 2.649 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c[nH]c3ccccc32)n1 ZINC000007938676 713481924 /nfs/dbraw/zinc/48/19/24/713481924.db2.gz QEAOIYNQHZBRBG-LBPRGKRZSA-N -1 0 339.376 2.966 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c[nH]c3ccccc32)n1 ZINC000007938677 713481927 /nfs/dbraw/zinc/48/19/27/713481927.db2.gz QEAOIYNQHZBRBG-GFCCVEGCSA-N -1 0 339.376 2.966 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)cc1 ZINC000048452381 713778271 /nfs/dbraw/zinc/77/82/71/713778271.db2.gz GWFGCGDHLPBJQG-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048577490 713838969 /nfs/dbraw/zinc/83/89/69/713838969.db2.gz YZJNIMXGKQQMLL-UHFFFAOYSA-N -1 0 341.820 2.578 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)c3ccccc23)cc1 ZINC000048581719 713839939 /nfs/dbraw/zinc/83/99/39/713839939.db2.gz TZLUQTLUOHKYCJ-UHFFFAOYSA-N -1 0 344.392 2.880 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048608904 713859414 /nfs/dbraw/zinc/85/94/14/713859414.db2.gz NAWRYCCRBPSIOU-UHFFFAOYSA-N -1 0 342.376 2.817 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000048646469 713873674 /nfs/dbraw/zinc/87/36/74/713873674.db2.gz NDANGSWBDVNWTJ-UHFFFAOYSA-N -1 0 341.392 2.781 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccc2C#N)c1 ZINC000177201473 717940694 /nfs/dbraw/zinc/94/06/94/717940694.db2.gz KVEAYWMQIKODOB-VOTSOKGWSA-N -1 0 344.367 2.524 20 30 EFEDRM COc1ccc2c(c1)OC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)C2 ZINC000050204495 714193469 /nfs/dbraw/zinc/19/34/69/714193469.db2.gz OMEJKLAMTMMZDF-CYBMUJFWSA-N -1 0 347.392 2.592 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2c(c1)COC2 ZINC000050205129 714193519 /nfs/dbraw/zinc/19/35/19/714193519.db2.gz PBBAGBHTXYMPBL-UHFFFAOYSA-N -1 0 343.404 2.899 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121368939 714609770 /nfs/dbraw/zinc/60/97/70/714609770.db2.gz PVNHLYSBVIBIKY-MRXNPFEDSA-N -1 0 337.379 2.508 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000077942135 714729252 /nfs/dbraw/zinc/72/92/52/714729252.db2.gz LGCZTSVUCOXTCF-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(Br)c1 ZINC000255368800 714838721 /nfs/dbraw/zinc/83/87/21/714838721.db2.gz LDSFVDXRVGHDKZ-YVACAVLKSA-N -1 0 349.180 2.986 20 30 EFEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000105262368 718019733 /nfs/dbraw/zinc/01/97/33/718019733.db2.gz QLHNNZRKVVKVIV-OAHLLOKOSA-N -1 0 329.400 2.640 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000066003092 718022814 /nfs/dbraw/zinc/02/28/14/718022814.db2.gz MJGXJSJKVVDODU-UHFFFAOYSA-N -1 0 343.420 2.960 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1occc1Br ZINC000176087534 715048632 /nfs/dbraw/zinc/04/86/32/715048632.db2.gz IISXEZWPHGAGHM-SECBINFHSA-N -1 0 327.178 2.671 20 30 EFEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000255398558 715098816 /nfs/dbraw/zinc/09/88/16/715098816.db2.gz ZRYWSKAGNXDSLE-KTAJNNJTSA-N -1 0 327.292 2.968 20 30 EFEDRM Cc1c(CS(C)(=O)=O)cccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255405392 715105197 /nfs/dbraw/zinc/10/51/97/715105197.db2.gz MMZZUNTZFIUWFX-UHFFFAOYSA-N -1 0 348.380 2.904 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000255423606 715192394 /nfs/dbraw/zinc/19/23/94/715192394.db2.gz XQKQZHKKORMVIY-VURMDHGXSA-N -1 0 336.307 2.777 20 30 EFEDRM COc1cc(/C=C2/Cc3c(cccc3O)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000209663292 715283136 /nfs/dbraw/zinc/28/31/36/715283136.db2.gz SQXGWRURNAWUFT-YHYXMXQVSA-N -1 0 327.292 2.837 20 30 EFEDRM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000119817129 715299165 /nfs/dbraw/zinc/29/91/65/715299165.db2.gz PPZRBXGFQIHLMZ-SECBINFHSA-N -1 0 328.199 2.713 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893432407 715360452 /nfs/dbraw/zinc/36/04/52/715360452.db2.gz YUGQHWKQBSAJHK-UHFFFAOYSA-N -1 0 343.832 2.922 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000124453875 715440540 /nfs/dbraw/zinc/44/05/40/715440540.db2.gz GESNKRJHAGDLRU-HNNXBMFYSA-N -1 0 344.411 2.819 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000124582495 715452167 /nfs/dbraw/zinc/45/21/67/715452167.db2.gz LEPLGOYBPUKPAP-ZDUSSCGKSA-N -1 0 325.393 2.755 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F)c(F)c1 ZINC000075040472 715471671 /nfs/dbraw/zinc/47/16/71/715471671.db2.gz LUFFQWPKBVIRGO-UHFFFAOYSA-N -1 0 343.298 2.748 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2 ZINC000125440651 715590829 /nfs/dbraw/zinc/59/08/29/715590829.db2.gz JCZUXRMBBQJRTO-SFHVURJKSA-N -1 0 342.439 2.819 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)n1C(C)C ZINC000125466625 715704081 /nfs/dbraw/zinc/70/40/81/715704081.db2.gz BJTSQIWRAWEYCZ-QGZVFWFLSA-N -1 0 347.459 2.940 20 30 EFEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)NC(C)C ZINC000102120795 715795050 /nfs/dbraw/zinc/79/50/50/715795050.db2.gz GXILPHBWKDEVGS-JSGCOSHPSA-N -1 0 341.415 2.558 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000909366956 715818721 /nfs/dbraw/zinc/81/87/21/715818721.db2.gz XSPJYUKSTMABBM-INIZCTEOSA-N -1 0 341.791 2.971 20 30 EFEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052368601 716155582 /nfs/dbraw/zinc/15/55/82/716155582.db2.gz JHGFUGQLVXISTB-UHFFFAOYSA-N -1 0 345.333 2.729 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000161873349 716327291 /nfs/dbraw/zinc/32/72/91/716327291.db2.gz WOANLSFDFDDUMT-QGZVFWFLSA-N -1 0 340.404 2.557 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000157963215 716398058 /nfs/dbraw/zinc/39/80/58/716398058.db2.gz CFMLBWXVZZNDSP-UHFFFAOYSA-N -1 0 347.367 2.841 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000157969024 716398953 /nfs/dbraw/zinc/39/89/53/716398953.db2.gz BSGWWOLINMEJKK-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000052771733 716584413 /nfs/dbraw/zinc/58/44/13/716584413.db2.gz KBOQWXSYXYVOPT-UHFFFAOYSA-N -1 0 347.440 2.692 20 30 EFEDRM Cc1cc(O[C@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)ccc1Cl ZINC000052792915 716606157 /nfs/dbraw/zinc/60/61/57/716606157.db2.gz WEAJCGUGVJEXRN-LLVKDONJSA-N -1 0 346.836 2.713 20 30 EFEDRM CC(C)(Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794607 716611078 /nfs/dbraw/zinc/61/10/78/716611078.db2.gz RTJNMUHUOOKTGY-UHFFFAOYSA-N -1 0 344.408 2.670 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cc(Br)cc(OC)c1 ZINC000169272205 716724897 /nfs/dbraw/zinc/72/48/97/716724897.db2.gz POYDKRQTESPHBP-UHFFFAOYSA-N -1 0 343.177 2.562 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(NC(=O)NC3CC3)c2)c1 ZINC000176833494 716753008 /nfs/dbraw/zinc/75/30/08/716753008.db2.gz UADBAOKEHPQESW-UHFFFAOYSA-N -1 0 336.351 2.800 20 30 EFEDRM C#CCC1(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])CCCCC1 ZINC000909386024 716886118 /nfs/dbraw/zinc/88/61/18/716886118.db2.gz BVKDNRCONWFPDT-MRXNPFEDSA-N -1 0 347.386 2.748 20 30 EFEDRM Cc1ccc(-c2nc(CC(=O)Nc3nc(C#N)c(C#N)[n-]3)cs2)cc1 ZINC000128270536 717004793 /nfs/dbraw/zinc/00/47/93/717004793.db2.gz RBKABUZIWGWISJ-UHFFFAOYSA-N -1 0 348.391 2.766 20 30 EFEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2C1 ZINC000892420091 717242143 /nfs/dbraw/zinc/24/21/43/717242143.db2.gz NCTLLSVYVLXYEA-WCQYABFASA-N -1 0 333.395 2.911 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255635796 717292479 /nfs/dbraw/zinc/29/24/79/717292479.db2.gz DJIAQQOCHWHAHN-MRBUWEIXSA-N -1 0 338.388 2.688 20 30 EFEDRM COCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000065763329 717346472 /nfs/dbraw/zinc/34/64/72/717346472.db2.gz UNYLQXXMCWXFSP-UHFFFAOYSA-N -1 0 349.408 2.714 20 30 EFEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000065764385 717347247 /nfs/dbraw/zinc/34/72/47/717347247.db2.gz MLAJGMLOSLPPRW-UHFFFAOYSA-N -1 0 326.443 2.983 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 ZINC000179740122 717861154 /nfs/dbraw/zinc/86/11/54/717861154.db2.gz HJEVPXZWKQBNJG-UHFFFAOYSA-N -1 0 336.376 2.991 20 30 EFEDRM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179728173 717865936 /nfs/dbraw/zinc/86/59/36/717865936.db2.gz LDCHMGKIKBMTIC-OAHLLOKOSA-N -1 0 343.408 2.718 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ncccc2OCC(F)(F)F)c1 ZINC000179743194 717868943 /nfs/dbraw/zinc/86/89/43/717868943.db2.gz QPOKYXMLSNXLRN-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)c1 ZINC000066230164 718151102 /nfs/dbraw/zinc/15/11/02/718151102.db2.gz SNQFYUNKXDECSB-UHFFFAOYSA-N -1 0 336.388 2.816 20 30 EFEDRM COC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255910154 718353662 /nfs/dbraw/zinc/35/36/62/718353662.db2.gz OMPATQCTUSZFQG-YWEYNIOJSA-N -1 0 327.292 2.983 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc([O-])ccc1[N+](=O)[O-])CO2 ZINC000255913401 718355175 /nfs/dbraw/zinc/35/51/75/718355175.db2.gz CBWSJXXKUYQWPM-IZZDOVSWSA-N -1 0 327.292 2.968 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840888693 718634405 /nfs/dbraw/zinc/63/44/05/718634405.db2.gz BKSCRLCRNBNBNC-UHFFFAOYSA-N -1 0 333.356 2.544 20 30 EFEDRM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178550913 719149614 /nfs/dbraw/zinc/14/96/14/719149614.db2.gz HNUQZCNXHSSVTE-UONOGXRCSA-N -1 0 346.433 2.537 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000840894512 719254592 /nfs/dbraw/zinc/25/45/92/719254592.db2.gz APEMBJIRQUZJTK-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3cccc(F)c3o2)c1 ZINC000122449224 719304034 /nfs/dbraw/zinc/30/40/34/719304034.db2.gz PLVJTCJRDHBYBI-UHFFFAOYSA-N -1 0 344.323 2.562 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)cc1 ZINC000122565425 719336561 /nfs/dbraw/zinc/33/65/61/719336561.db2.gz JGLMAZDEJXGQIK-MRXNPFEDSA-N -1 0 337.379 2.947 20 30 EFEDRM Cc1cnn(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)c1 ZINC000119916753 719483152 /nfs/dbraw/zinc/48/31/52/719483152.db2.gz QFRBXDUCDWFWMN-QGZVFWFLSA-N -1 0 336.395 2.562 20 30 EFEDRM C[C@@H](CSc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122634429 719569195 /nfs/dbraw/zinc/56/91/95/719569195.db2.gz HULUGOPFZGHACH-JSGCOSHPSA-N -1 0 327.409 2.740 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cccn2)cc1 ZINC000127307067 724614794 /nfs/dbraw/zinc/61/47/94/724614794.db2.gz XQUZSUSWLCJSEK-KRWDZBQOSA-N -1 0 336.395 2.644 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123090613 720689084 /nfs/dbraw/zinc/68/90/84/720689084.db2.gz MFJBRHLEQVJJMP-OUAUKWLOSA-N -1 0 327.306 2.680 20 30 EFEDRM CCCc1sc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1CC ZINC000776144387 720782514 /nfs/dbraw/zinc/78/25/14/720782514.db2.gz NNBSOMMWFIVGRE-UHFFFAOYSA-N -1 0 342.486 2.872 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)co1 ZINC000123650565 720850621 /nfs/dbraw/zinc/85/06/21/720850621.db2.gz MOXLTJJQPJFNQX-SNVBAGLBSA-N -1 0 347.758 2.860 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000237051618 721048209 /nfs/dbraw/zinc/04/82/09/721048209.db2.gz PUODCDXOVWOHAH-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000124184168 721410324 /nfs/dbraw/zinc/41/03/24/721410324.db2.gz QMLLJHNXHCUXSE-CYBMUJFWSA-N -1 0 343.210 2.859 20 30 EFEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000069283326 728759534 /nfs/dbraw/zinc/75/95/34/728759534.db2.gz IZWXPFYOULASPF-UHFFFAOYSA-N -1 0 334.397 2.757 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000126675075 722866057 /nfs/dbraw/zinc/86/60/57/722866057.db2.gz FHLYXUDQYRZROW-HNNXBMFYSA-N -1 0 337.335 2.542 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2ccccc2C(=O)[O-])ccc1Cl ZINC000917731600 728780451 /nfs/dbraw/zinc/78/04/51/728780451.db2.gz VOHGYVIYKFZPLF-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000917845464 728796810 /nfs/dbraw/zinc/79/68/10/728796810.db2.gz ZUQDEQNESNHORP-UHFFFAOYSA-N -1 0 337.441 2.850 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3CC)cc2[n-]c1=S ZINC000727859219 723222772 /nfs/dbraw/zinc/22/27/72/723222772.db2.gz PQQXOCIPLVSQDF-CYBMUJFWSA-N -1 0 343.452 2.886 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H](CCCC)C(=O)[O-])cc(OC)c1OC ZINC000262265834 723264793 /nfs/dbraw/zinc/26/47/93/723264793.db2.gz HFSZHLMMBGMZSR-CQSZACIVSA-N -1 0 335.400 2.806 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000917925733 728805877 /nfs/dbraw/zinc/80/58/77/728805877.db2.gz LMCNUMCLUPBCFR-UHFFFAOYSA-N -1 0 337.441 2.849 20 30 EFEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126918847 723470081 /nfs/dbraw/zinc/47/00/81/723470081.db2.gz TWAGNCRNURVECK-KRWDZBQOSA-N -1 0 349.390 2.674 20 30 EFEDRM CCOC(=O)NCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121060111 723525264 /nfs/dbraw/zinc/52/52/64/723525264.db2.gz DNIWENLWXQFOKN-CYBMUJFWSA-N -1 0 341.367 2.504 20 30 EFEDRM CCn1nc(C)c(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c1C ZINC000727976182 723545957 /nfs/dbraw/zinc/54/59/57/723545957.db2.gz NDEVHDHYHYWGNC-CMDGGOBGSA-N -1 0 328.368 2.879 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2C)cc(C(=O)[O-])c1F ZINC000179024777 723820772 /nfs/dbraw/zinc/82/07/72/723820772.db2.gz PBVFQRNHXCRTTJ-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000727251777 723874078 /nfs/dbraw/zinc/87/40/78/723874078.db2.gz GKSUXEHFEICPMB-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000727259577 723879063 /nfs/dbraw/zinc/87/90/63/723879063.db2.gz JYZASSPWTZINMX-UHFFFAOYSA-N -1 0 340.364 2.602 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000126962036 723942244 /nfs/dbraw/zinc/94/22/44/723942244.db2.gz WRZDAXQKQFTVRX-KRWDZBQOSA-N -1 0 344.374 2.511 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)COc2ccccc2)cc1C#N ZINC000918348037 728868831 /nfs/dbraw/zinc/86/88/31/728868831.db2.gz SYJIIRWDAAACLD-LLVKDONJSA-N -1 0 343.408 2.578 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2nccn2CC(F)(F)F)cc1 ZINC000728698658 724136709 /nfs/dbraw/zinc/13/67/09/724136709.db2.gz LYYYPCGJZXTKKD-AATRIKPKSA-N -1 0 338.285 2.969 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918486473 728882254 /nfs/dbraw/zinc/88/22/54/728882254.db2.gz CUMIRIUOIPJGCB-QGZVFWFLSA-N -1 0 345.358 2.980 20 30 EFEDRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000320618178 724248021 /nfs/dbraw/zinc/24/80/21/724248021.db2.gz ZDBGHNBZPCFVAF-UHFFFAOYSA-N -1 0 337.788 2.747 20 30 EFEDRM CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000151891116 724285266 /nfs/dbraw/zinc/28/52/66/724285266.db2.gz WMLBDHKTVQKJLQ-UHFFFAOYSA-N -1 0 334.441 2.970 20 30 EFEDRM CN(C)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000727648849 724290143 /nfs/dbraw/zinc/29/01/43/724290143.db2.gz SXUAOCYFIFCPFF-UHFFFAOYSA-N -1 0 333.314 2.673 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNC(=S)NCC2CCC2)c1[O-] ZINC000727653040 724290991 /nfs/dbraw/zinc/29/09/91/724290991.db2.gz BGADMKRNGAXMDT-UHFFFAOYSA-N -1 0 342.808 2.552 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)CC(C)(C)C(=O)[O-])sc2C1 ZINC000840730081 725009145 /nfs/dbraw/zinc/00/91/45/725009145.db2.gz PFOSZJCPHIXJJD-SECBINFHSA-N -1 0 336.413 2.563 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3[nH]c2=O)cc1 ZINC000069522393 728940997 /nfs/dbraw/zinc/94/09/97/728940997.db2.gz CPPCOGCTXFVEHW-UHFFFAOYSA-N -1 0 342.376 2.530 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccn(-c2ccccc2)n1 ZINC000069525500 728942305 /nfs/dbraw/zinc/94/23/05/728942305.db2.gz IAAZBNLPXAFGOY-UHFFFAOYSA-N -1 0 345.355 2.705 20 30 EFEDRM C[C@@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000729142113 725456672 /nfs/dbraw/zinc/45/66/72/725456672.db2.gz MPOHIWFPPKKZEW-GFCCVEGCSA-N -1 0 345.428 2.865 20 30 EFEDRM O=C([O-])COc1ccc(C=NNCCCOc2ccccc2)cc1 ZINC000729147446 725460188 /nfs/dbraw/zinc/46/01/88/725460188.db2.gz BYPMXYNDZGMIGC-UHFFFAOYSA-N -1 0 328.368 2.543 20 30 EFEDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)c1 ZINC000130084795 725523989 /nfs/dbraw/zinc/52/39/89/725523989.db2.gz PYIKALGXMQFZSH-UHFFFAOYSA-N -1 0 328.393 2.800 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000263255825 725638840 /nfs/dbraw/zinc/63/88/40/725638840.db2.gz IIKCKQUHCXZEMM-ZDUSSCGKSA-N -1 0 335.400 2.719 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(OC)c1 ZINC000263278121 725644303 /nfs/dbraw/zinc/64/43/03/725644303.db2.gz WZHPMLMFWQWLJA-UKRRQHHQSA-N -1 0 347.411 2.514 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000263297605 725661803 /nfs/dbraw/zinc/66/18/03/725661803.db2.gz ZSLMTQQRNKPNND-VHSXEESVSA-N -1 0 331.322 2.932 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263383339 725724677 /nfs/dbraw/zinc/72/46/77/725724677.db2.gz DDHBKLAUCOUPDS-INIZCTEOSA-N -1 0 335.285 2.825 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccnc(Cl)c1 ZINC000054429208 725872066 /nfs/dbraw/zinc/87/20/66/725872066.db2.gz ZVZBQKCVDANYDG-UHFFFAOYSA-N -1 0 336.800 2.917 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(Cl)cc2)cn1 ZINC000054430494 725877861 /nfs/dbraw/zinc/87/78/61/725877861.db2.gz LAAYOXXGHNYHGQ-UHFFFAOYSA-N -1 0 341.820 2.697 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1nnc(-c2ccccn2)s1 ZINC000788027290 726350360 /nfs/dbraw/zinc/35/03/60/726350360.db2.gz OHMZXIPXIZBRKS-UHFFFAOYSA-N -1 0 342.340 2.660 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491874 726355573 /nfs/dbraw/zinc/35/55/73/726355573.db2.gz SROOHCCGVDIWOI-UHFFFAOYSA-N -1 0 344.345 2.683 20 30 EFEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491883 726355608 /nfs/dbraw/zinc/35/56/08/726355608.db2.gz SAVWICDUVHOYDB-UHFFFAOYSA-N -1 0 344.345 2.797 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC=CCC1 ZINC000054492362 726358493 /nfs/dbraw/zinc/35/84/93/726358493.db2.gz ZMHGXCKVMYPRFU-SECBINFHSA-N -1 0 328.321 2.735 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000054492816 726359037 /nfs/dbraw/zinc/35/90/37/726359037.db2.gz IVJGGZKPQKMKMP-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C1 ZINC000907037539 726851872 /nfs/dbraw/zinc/85/18/72/726851872.db2.gz CEENBCIGFNUDMH-NSHDSACASA-N -1 0 327.377 2.501 20 30 EFEDRM COc1cccc(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC000731558948 726895033 /nfs/dbraw/zinc/89/50/33/726895033.db2.gz MXONCKYNOIZRFT-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)n[nH]2)o1 ZINC000193446183 726927087 /nfs/dbraw/zinc/92/70/87/726927087.db2.gz DFYWEGXKGRYNFC-CYBMUJFWSA-N -1 0 334.335 2.939 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000907609367 726970387 /nfs/dbraw/zinc/97/03/87/726970387.db2.gz BOTTZVIIBCYLAT-IUODEOHRSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(CCC(F)(F)F)s1)C(=O)[O-] ZINC000907742797 726999677 /nfs/dbraw/zinc/99/96/77/726999677.db2.gz CVHBHIKGIIOAGE-QMMMGPOBSA-N -1 0 336.335 2.787 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncoc2C(C)C)n1 ZINC000732387006 727068922 /nfs/dbraw/zinc/06/89/22/727068922.db2.gz WQAAOXYPHQDOPA-JTQLQIEISA-N -1 0 333.369 2.596 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)OCC ZINC000908177206 727115076 /nfs/dbraw/zinc/11/50/76/727115076.db2.gz QJLOSLIXIFYNCR-DLOXAQCQSA-N -1 0 341.473 2.603 20 30 EFEDRM C=C[C@@H](CC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C)c1ccccc1 ZINC000908429601 727184703 /nfs/dbraw/zinc/18/47/03/727184703.db2.gz BVDIVZARCGXZNW-KBPBESRZSA-N -1 0 339.395 2.672 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(Br)nc2)cc1[O-] ZINC000732713260 727194803 /nfs/dbraw/zinc/19/48/03/727194803.db2.gz UXFPMFYBLWKZFE-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)OCC ZINC000908594154 727221630 /nfs/dbraw/zinc/22/16/30/727221630.db2.gz QGGTXWVZWCNVQH-JKSUJKDBSA-N -1 0 335.400 2.699 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)C(=O)[O-] ZINC000908626180 727227611 /nfs/dbraw/zinc/22/76/11/727227611.db2.gz UXDFSQCQNLEQTI-NSHDSACASA-N -1 0 345.182 2.990 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000908625744 727227681 /nfs/dbraw/zinc/22/76/81/727227681.db2.gz KXCHFTJROAXXIU-GFCCVEGCSA-N -1 0 340.326 2.740 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CC3(C)C)cc2[n-]c1=S ZINC000732797271 727232400 /nfs/dbraw/zinc/23/24/00/727232400.db2.gz QMJMSTAQDOGJLI-GFCCVEGCSA-N -1 0 343.452 2.647 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cccc(C2SCCS2)c1)C(=O)[O-] ZINC000908618720 727232531 /nfs/dbraw/zinc/23/25/31/727232531.db2.gz HGZYUWVVWTUNDN-GFCCVEGCSA-N -1 0 336.438 2.763 20 30 EFEDRM C=CCOc1cccc(NC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000908620367 727232610 /nfs/dbraw/zinc/23/26/10/727232610.db2.gz XORUSKXCYRAZDH-OAHLLOKOSA-N -1 0 336.388 2.593 20 30 EFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000908642714 727233209 /nfs/dbraw/zinc/23/32/09/727233209.db2.gz SFJSNLCFLYDATF-CYBMUJFWSA-N -1 0 345.424 2.521 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000908706947 727248491 /nfs/dbraw/zinc/24/84/91/727248491.db2.gz GCDJSXGUAINRCU-CYBMUJFWSA-N -1 0 327.302 2.530 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908798814 727264339 /nfs/dbraw/zinc/26/43/39/727264339.db2.gz HTMXQYXLOWANQE-UHFFFAOYSA-N -1 0 333.432 2.956 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1SCC#N ZINC000732904674 727269774 /nfs/dbraw/zinc/26/97/74/727269774.db2.gz ROKBVGMYXAVFCN-LBPRGKRZSA-N -1 0 340.470 2.798 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cnc(C)s2)n1 ZINC000732902653 727270317 /nfs/dbraw/zinc/27/03/17/727270317.db2.gz NWPSYWXSUCQCPE-WYGGZMRJSA-N -1 0 347.421 2.974 20 30 EFEDRM CC#CCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909031793 727307554 /nfs/dbraw/zinc/30/75/54/727307554.db2.gz MWZNIDFFTFSLJJ-GFCCVEGCSA-N -1 0 328.290 2.544 20 30 EFEDRM CC#CCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909031795 727307649 /nfs/dbraw/zinc/30/76/49/727307649.db2.gz MWZNIDFFTFSLJJ-LBPRGKRZSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCC[C@H](NC(=O)NC1CCC(O)(c2ccccc2)CC1)C(=O)[O-] ZINC000909057169 727315558 /nfs/dbraw/zinc/31/55/58/727315558.db2.gz SNUKOJPFBNRITA-WUJZJPHMSA-N -1 0 346.427 2.535 20 30 EFEDRM C=CCCOCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000909117419 727325308 /nfs/dbraw/zinc/32/53/08/727325308.db2.gz MEDJBVAMXGZXQS-HOTGVXAUSA-N -1 0 332.400 2.579 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1c(F)cccc1SC)C(=O)[O-] ZINC000909146708 727336345 /nfs/dbraw/zinc/33/63/45/727336345.db2.gz BSFXDYAHXRRKDT-LBPRGKRZSA-N -1 0 326.393 2.766 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC[C@H]1CCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000909182928 727338780 /nfs/dbraw/zinc/33/87/80/727338780.db2.gz PDEZEMDIJHIVFX-IKGGRYGDSA-N -1 0 346.427 2.525 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)C(=O)[O-] ZINC000909162494 727339957 /nfs/dbraw/zinc/33/99/57/727339957.db2.gz WAFSMGHSNDNZCD-JKSUJKDBSA-N -1 0 348.443 2.507 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1)C(=O)[O-] ZINC000909215317 727345713 /nfs/dbraw/zinc/34/57/13/727345713.db2.gz HVAXZASKSCXHOT-ARFHVFGLSA-N -1 0 332.400 2.660 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000909238073 727350897 /nfs/dbraw/zinc/35/08/97/727350897.db2.gz NGJWWKHMERYCGL-VQIMIIECSA-N -1 0 333.428 2.583 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(Cc2ccccc2)CCOCC1)C(=O)[O-] ZINC000909712976 727366323 /nfs/dbraw/zinc/36/63/23/727366323.db2.gz CJSIWCYMWPGODZ-MRXNPFEDSA-N -1 0 331.412 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)C(=O)[O-] ZINC000909715515 727366568 /nfs/dbraw/zinc/36/65/68/727366568.db2.gz MKFWCLSPOZOFEK-JSGCOSHPSA-N -1 0 336.819 2.702 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)C(=O)[O-] ZINC000909715513 727366632 /nfs/dbraw/zinc/36/66/32/727366632.db2.gz MKFWCLSPOZOFEK-GXTWGEPZSA-N -1 0 336.819 2.702 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC000909717275 727368007 /nfs/dbraw/zinc/36/80/07/727368007.db2.gz GSHBCJLRCRXZDS-QMMMGPOBSA-N -1 0 339.442 2.573 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000909716698 727368067 /nfs/dbraw/zinc/36/80/67/727368067.db2.gz BPUHCEBXTQLIAK-IAGOWNOFSA-N -1 0 348.418 2.716 20 30 EFEDRM C#CCC1(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1 ZINC000909762107 727372757 /nfs/dbraw/zinc/37/27/57/727372757.db2.gz INRJTRIMXJKYRX-HNNXBMFYSA-N -1 0 331.334 2.826 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC000909766814 727373211 /nfs/dbraw/zinc/37/32/11/727373211.db2.gz KZBLQXSVEGPOHO-MRXNPFEDSA-N -1 0 344.411 2.683 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(C)ccc2cc(C)ccc21)C(=O)[O-] ZINC000909771885 727373714 /nfs/dbraw/zinc/37/37/14/727373714.db2.gz SSSRBZONLIEWSQ-INIZCTEOSA-N -1 0 327.380 2.842 20 30 EFEDRM C=CCOCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909757351 727375163 /nfs/dbraw/zinc/37/51/63/727375163.db2.gz VXUKXDQIXNBORB-AWEZNQCLSA-N -1 0 332.183 2.612 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000129279204 727379744 /nfs/dbraw/zinc/37/97/44/727379744.db2.gz VRGGRDMTWVVEEI-NSHDSACASA-N -1 0 328.315 2.900 20 30 EFEDRM C#CCC1(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)CCCCC1 ZINC000909831105 727380765 /nfs/dbraw/zinc/38/07/65/727380765.db2.gz AUJLXBDGBDDMTN-UHFFFAOYSA-N -1 0 343.427 2.719 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909816506 727383302 /nfs/dbraw/zinc/38/33/02/727383302.db2.gz BBXWQWULNSGZGX-SIXWZSSISA-N -1 0 333.428 2.663 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000909818938 727383738 /nfs/dbraw/zinc/38/37/38/727383738.db2.gz FGVHDYAZKFHEJR-APWZRJJASA-N -1 0 349.427 2.873 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000909818939 727383744 /nfs/dbraw/zinc/38/37/44/727383744.db2.gz FGVHDYAZKFHEJR-LPHOPBHVSA-N -1 0 349.427 2.873 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])OCC ZINC000909819962 727383931 /nfs/dbraw/zinc/38/39/31/727383931.db2.gz LKYQIKRCLCRXCR-UAGQMJEPSA-N -1 0 333.428 2.806 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)OCC ZINC000909855509 727386084 /nfs/dbraw/zinc/38/60/84/727386084.db2.gz HBYZQVAJCDDGFE-QFBILLFUSA-N -1 0 331.412 2.613 20 30 EFEDRM CN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1O)C(C)(C)C#N ZINC000909862127 727392708 /nfs/dbraw/zinc/39/27/08/727392708.db2.gz AECHLACPXPGAJZ-UHFFFAOYSA-N -1 0 345.182 2.616 20 30 EFEDRM C=CC[C@H]1N(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CCCC1(C)C ZINC000910020883 727403919 /nfs/dbraw/zinc/40/39/19/727403919.db2.gz DRBXCCISXZDTDC-CQSZACIVSA-N -1 0 342.399 2.634 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000910053029 727406092 /nfs/dbraw/zinc/40/60/92/727406092.db2.gz MVBSXOVTRZLYAF-KDOFPFPSSA-N -1 0 338.407 2.921 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910052655 727406117 /nfs/dbraw/zinc/40/61/17/727406117.db2.gz DUQKSFIQRBMQIM-ZWNOBZJWSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC000910055120 727406159 /nfs/dbraw/zinc/40/61/59/727406159.db2.gz XRUBTHBRQPPXLS-HNNXBMFYSA-N -1 0 342.420 2.508 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910054421 727406179 /nfs/dbraw/zinc/40/61/79/727406179.db2.gz NQSPZFOUXFJKNN-QWHCGFSZSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910054777 727406198 /nfs/dbraw/zinc/40/61/98/727406198.db2.gz SMUZEKXJHHEUAD-ZANVPECISA-N -1 0 328.195 2.765 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000910045486 727407889 /nfs/dbraw/zinc/40/78/89/727407889.db2.gz FBPMXEBFXCNAKG-YVEFUNNKSA-N -1 0 325.364 2.545 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910048298 727408061 /nfs/dbraw/zinc/40/80/61/727408061.db2.gz IIPRJUBUKHYCKT-CPFIRTDXSA-N -1 0 327.380 2.614 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910068748 727409896 /nfs/dbraw/zinc/40/98/96/727409896.db2.gz JFJPINVJRPEKKR-KDOFPFPSSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000910179511 727418082 /nfs/dbraw/zinc/41/80/82/727418082.db2.gz XSMVAHWDYRADRM-UHFFFAOYSA-N -1 0 348.468 2.586 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000910210495 727421478 /nfs/dbraw/zinc/42/14/78/727421478.db2.gz WHMJAJOYQOFBBT-GOSISDBHSA-N -1 0 335.375 2.637 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC000910293534 727430990 /nfs/dbraw/zinc/43/09/90/727430990.db2.gz JTGIEEJJDXFZMC-JTQLQIEISA-N -1 0 341.289 2.502 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000910294764 727431107 /nfs/dbraw/zinc/43/11/07/727431107.db2.gz RZHNKTHLIBXNPS-AWEZNQCLSA-N -1 0 326.352 2.589 20 30 EFEDRM CCOc1ccc(C[C@@H](CNc2ccc(C#N)nc2)C(=O)[O-])cc1 ZINC000910409714 727438788 /nfs/dbraw/zinc/43/87/88/727438788.db2.gz SKLOHGQXXYKNEV-AWEZNQCLSA-N -1 0 325.368 2.707 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000910517869 727447168 /nfs/dbraw/zinc/44/71/68/727447168.db2.gz WSRSLNVVCJTVLH-OAHLLOKOSA-N -1 0 327.384 2.795 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910728964 727460057 /nfs/dbraw/zinc/46/00/57/727460057.db2.gz FPSXYRXBFHKCAC-JQWIXIFHSA-N -1 0 338.429 2.794 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)C(=O)[O-] ZINC000910913633 727471649 /nfs/dbraw/zinc/47/16/49/727471649.db2.gz ZPOZXUHMOQFBMP-CQSZACIVSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2)C(=O)[O-] ZINC000910914706 727471756 /nfs/dbraw/zinc/47/17/56/727471756.db2.gz NFKRQRWAFRQOCU-FZMZJTMJSA-N -1 0 333.384 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC000910916462 727471938 /nfs/dbraw/zinc/47/19/38/727471938.db2.gz VYQJLRINXXNAHD-LLVKDONJSA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccnn1CCc1ccccc1)C(=O)[O-] ZINC000910923503 727472237 /nfs/dbraw/zinc/47/22/37/727472237.db2.gz SEHJFPKVCPLBPH-INIZCTEOSA-N -1 0 341.411 2.665 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(C)o1)C(=O)[O-] ZINC000910923997 727472262 /nfs/dbraw/zinc/47/22/62/727472262.db2.gz XGWSPDJMPJMSBQ-CYBMUJFWSA-N -1 0 331.372 2.528 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910923284 727472277 /nfs/dbraw/zinc/47/22/77/727472277.db2.gz RQTDBMMTYTUOPO-WBVHZDCISA-N -1 0 331.412 2.726 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1C)C(=O)[O-] ZINC000910926510 727472445 /nfs/dbraw/zinc/47/24/45/727472445.db2.gz UDLNWWRFITUBGL-HNNXBMFYSA-N -1 0 345.374 2.859 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911060638 727492289 /nfs/dbraw/zinc/49/22/89/727492289.db2.gz DMACSOUBXDEGBM-AWEZNQCLSA-N -1 0 345.317 2.930 20 30 EFEDRM C=CCCC(=O)N[C@H](C(=O)[O-])c1c(C)nn(Cc2ccccc2)c1C ZINC000911681649 727581439 /nfs/dbraw/zinc/58/14/39/727581439.db2.gz NZPMCVLGRWUWKJ-SFHVURJKSA-N -1 0 341.411 2.756 20 30 EFEDRM Cc1ccccc1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000915921154 727640012 /nfs/dbraw/zinc/64/00/12/727640012.db2.gz WUMMFVSRNNHPOX-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1cccc(OCC(=O)[O-])c1 ZINC000915924678 727640572 /nfs/dbraw/zinc/64/05/72/727640572.db2.gz AJFPVGAUEXVJER-UHFFFAOYSA-N -1 0 349.456 2.671 20 30 EFEDRM CCCCOc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1OC ZINC000915945729 727641692 /nfs/dbraw/zinc/64/16/92/727641692.db2.gz UTVZXEVDFKRQGI-UHFFFAOYSA-N -1 0 345.403 2.909 20 30 EFEDRM O=C1Nc2cc(O)ccc2C1=N[N-]c1ncnc2c3ccccc3oc21 ZINC000915956031 727642448 /nfs/dbraw/zinc/64/24/48/727642448.db2.gz NJWUGQCPWQLPST-UHFFFAOYSA-N -1 0 345.318 2.850 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNC(=S)Nc1ccccc1C)O2 ZINC000915937286 727643064 /nfs/dbraw/zinc/64/30/64/727643064.db2.gz MRBVJBCCSXWSTR-UHFFFAOYSA-N -1 0 341.392 2.884 20 30 EFEDRM Cn1c(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000915969418 727643794 /nfs/dbraw/zinc/64/37/94/727643794.db2.gz SBQIMJHJHMTLFV-UHFFFAOYSA-N -1 0 338.327 2.542 20 30 EFEDRM COc1cc(C=NNCc2cc(F)ccc2F)cc([N+](=O)[O-])c1[O-] ZINC000915979112 727644751 /nfs/dbraw/zinc/64/47/51/727644751.db2.gz OUZMKKWSAFOJLC-UHFFFAOYSA-N -1 0 337.282 2.711 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNCc1cccc2cccnc21 ZINC000915963254 727645579 /nfs/dbraw/zinc/64/55/79/727645579.db2.gz QFVCMSZSDJCLCK-UHFFFAOYSA-N -1 0 335.363 2.822 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)[O-] ZINC000916134778 727659017 /nfs/dbraw/zinc/65/90/17/727659017.db2.gz YTUXCJAKOZEFFO-YWEYNIOJSA-N -1 0 337.331 2.926 20 30 EFEDRM COc1cccc2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)oc21 ZINC000916136892 727659958 /nfs/dbraw/zinc/65/99/58/727659958.db2.gz BXVHBQPZLGBXHT-WLMCBFPDSA-N -1 0 326.304 2.670 20 30 EFEDRM COC(=O)c1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916156970 727661858 /nfs/dbraw/zinc/66/18/58/727661858.db2.gz JIRLYBNPYCCXPY-YFHOEESVSA-N -1 0 340.331 2.833 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000916177249 727663619 /nfs/dbraw/zinc/66/36/19/727663619.db2.gz WBOSJSGWQWRZRB-UHFFFAOYSA-N -1 0 340.404 2.556 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000916177264 727663672 /nfs/dbraw/zinc/66/36/72/727663672.db2.gz WZCAYLWPUXCBGU-UHFFFAOYSA-N -1 0 342.420 2.974 20 30 EFEDRM COc1cc(C=NNc2ccc(F)cc2F)ccc1OCC(=O)[O-] ZINC000916251045 727671264 /nfs/dbraw/zinc/67/12/64/727671264.db2.gz YZMGFNWWICUOTD-UHFFFAOYSA-N -1 0 336.294 2.883 20 30 EFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000916277570 727672745 /nfs/dbraw/zinc/67/27/45/727672745.db2.gz LSKQYOZDTGOQTA-JSGCOSHPSA-N -1 0 349.456 2.527 20 30 EFEDRM CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Br)cc1 ZINC000916282444 727673577 /nfs/dbraw/zinc/67/35/77/727673577.db2.gz GRCATKUDAFMEFY-UHFFFAOYSA-N -1 0 336.193 2.874 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000916298725 727674725 /nfs/dbraw/zinc/67/47/25/727674725.db2.gz RSOPQDKSGOXTEE-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM Cc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1[N+](=O)[O-] ZINC000916305363 727675516 /nfs/dbraw/zinc/67/55/16/727675516.db2.gz PVAMWAMLWAYISZ-UHFFFAOYSA-N -1 0 331.279 2.684 20 30 EFEDRM CC[C@@]1(C)NC(=O)N(N=Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000916330057 727676711 /nfs/dbraw/zinc/67/67/11/727676711.db2.gz BAZUESZAZNJKNS-CYBMUJFWSA-N -1 0 330.171 2.753 20 30 EFEDRM O=c1c2ccccc2ncn1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000916369760 727678517 /nfs/dbraw/zinc/67/85/17/727678517.db2.gz MLNRKIJHJRFKDX-UHFFFAOYSA-N -1 0 344.714 2.546 20 30 EFEDRM C#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000916621116 727702345 /nfs/dbraw/zinc/70/23/45/727702345.db2.gz HBCSMFLVBFYZFO-UHFFFAOYSA-N -1 0 343.404 2.894 20 30 EFEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916869433 727740289 /nfs/dbraw/zinc/74/02/89/727740289.db2.gz IRAAXPYJMQDGMW-ZDUSSCGKSA-N -1 0 326.352 2.524 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000916917694 727741631 /nfs/dbraw/zinc/74/16/31/727741631.db2.gz GDTWCMWIJIAUDN-OAHLLOKOSA-N -1 0 342.326 2.622 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(F)cc2)nc1C ZINC000916916862 727741733 /nfs/dbraw/zinc/74/17/33/727741733.db2.gz DBDHYEIGRLSDMD-ZDUSSCGKSA-N -1 0 343.383 2.882 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000916918536 727741779 /nfs/dbraw/zinc/74/17/79/727741779.db2.gz TYBALXGFJXSOFR-ZDUSSCGKSA-N -1 0 332.450 2.790 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000917002668 727753741 /nfs/dbraw/zinc/75/37/41/727753741.db2.gz NJAYTICDPLQLRD-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM Cc1ccn(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)n1 ZINC000917044148 727756474 /nfs/dbraw/zinc/75/64/74/727756474.db2.gz CBNVRUUUOFHBJW-KRWDZBQOSA-N -1 0 336.395 2.562 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000151052912 727771706 /nfs/dbraw/zinc/77/17/06/727771706.db2.gz RLQYCNDKJFVXPO-INIZCTEOSA-N -1 0 333.347 2.727 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000151052868 727771721 /nfs/dbraw/zinc/77/17/21/727771721.db2.gz RLQYCNDKJFVXPO-MRXNPFEDSA-N -1 0 333.347 2.727 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)cc2C)cc1 ZINC000156355191 727910987 /nfs/dbraw/zinc/91/09/87/727910987.db2.gz LGLMBMCSBCJKRT-QGZVFWFLSA-N -1 0 340.354 2.782 20 30 EFEDRM C=C(C)CN(CC)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000055206763 727916567 /nfs/dbraw/zinc/91/65/67/727916567.db2.gz CYGFTQKGJCOLHE-UHFFFAOYSA-N -1 0 331.441 2.874 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000130943717 727928335 /nfs/dbraw/zinc/92/83/35/727928335.db2.gz GHMSVUOPPIRTOL-NSHDSACASA-N -1 0 330.775 2.577 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156506776 727928971 /nfs/dbraw/zinc/92/89/71/727928971.db2.gz DQINNTCFVWTUES-VIFPVBQESA-N -1 0 330.693 2.960 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000183136867 727975469 /nfs/dbraw/zinc/97/54/69/727975469.db2.gz RCATUPBAOOQEAB-GFCCVEGCSA-N -1 0 327.365 2.650 20 30 EFEDRM Cc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000164779385 727980072 /nfs/dbraw/zinc/98/00/72/727980072.db2.gz UALCIOBKCWSNIS-DRDHIDPGSA-N -1 0 349.180 2.986 20 30 EFEDRM Cn1cc(CCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cn1 ZINC000058042563 728130845 /nfs/dbraw/zinc/13/08/45/728130845.db2.gz HSDKFLJXPGGLOQ-UHFFFAOYSA-N -1 0 345.424 2.626 20 30 EFEDRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)s1 ZINC000058067686 728136719 /nfs/dbraw/zinc/13/67/19/728136719.db2.gz PZTKFTZTMHUOHF-UHFFFAOYSA-N -1 0 346.474 2.508 20 30 EFEDRM C[S@@](=O)Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058074731 728136964 /nfs/dbraw/zinc/13/69/64/728136964.db2.gz FDWNZDGVFYGSNT-NRFANRHFSA-N -1 0 343.470 2.532 20 30 EFEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)ccc1C ZINC000058077250 728140203 /nfs/dbraw/zinc/14/02/03/728140203.db2.gz CCASEKNMYGGZOV-UHFFFAOYSA-N -1 0 338.429 2.921 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000058112853 728144320 /nfs/dbraw/zinc/14/43/20/728144320.db2.gz AOCURPQPKXLFFH-UHFFFAOYSA-N -1 0 333.394 2.627 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000058150801 728146716 /nfs/dbraw/zinc/14/67/16/728146716.db2.gz NKQQTUYXAZYFGG-UHFFFAOYSA-N -1 0 328.752 2.709 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(Cl)o1 ZINC000058149848 728146758 /nfs/dbraw/zinc/14/67/58/728146758.db2.gz UXFDHPHIOYOLNV-UHFFFAOYSA-N -1 0 335.168 2.816 20 30 EFEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152322 728147083 /nfs/dbraw/zinc/14/70/83/728147083.db2.gz PXTSOQJRLUNTIE-UHFFFAOYSA-N -1 0 328.777 2.747 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC3)c1 ZINC000058185241 728149858 /nfs/dbraw/zinc/14/98/58/728149858.db2.gz MJTVLILTAWETDO-UHFFFAOYSA-N -1 0 331.393 2.877 20 30 EFEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000046568809 728275297 /nfs/dbraw/zinc/27/52/97/728275297.db2.gz CBWSIAOVTARBDO-UHFFFAOYSA-N -1 0 326.268 2.711 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000182646411 728295889 /nfs/dbraw/zinc/29/58/89/728295889.db2.gz SEFWJNHOWUUGMU-GFCCVEGCSA-N -1 0 331.441 2.546 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000046927690 728325617 /nfs/dbraw/zinc/32/56/17/728325617.db2.gz CPNOCFRRZQKVFB-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000046927798 728325822 /nfs/dbraw/zinc/32/58/22/728325822.db2.gz DOLUJADUKIWRAN-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000076765020 728387199 /nfs/dbraw/zinc/38/71/99/728387199.db2.gz GUSHAUCDHUFBAX-UHFFFAOYSA-N -1 0 346.836 2.682 20 30 EFEDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000060765236 728421057 /nfs/dbraw/zinc/42/10/57/728421057.db2.gz LLHCHJRZMVRUPL-LLVKDONJSA-N -1 0 335.429 2.794 20 30 EFEDRM Cc1nn(C)c(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000060766325 728422894 /nfs/dbraw/zinc/42/28/94/728422894.db2.gz SDHDAPLOWBPUMN-VIFPVBQESA-N -1 0 339.392 2.625 20 30 EFEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)cs1 ZINC000173974843 728643497 /nfs/dbraw/zinc/64/34/97/728643497.db2.gz HIHMLVMHRWWOGS-CQSZACIVSA-N -1 0 325.393 2.720 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913559048 728655732 /nfs/dbraw/zinc/65/57/32/728655732.db2.gz COBMNNJYUQDLKK-OAHLLOKOSA-N -1 0 326.400 2.679 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1 ZINC000154962013 729016626 /nfs/dbraw/zinc/01/66/26/729016626.db2.gz QCMBOCAYEARLPH-OAHLLOKOSA-N -1 0 342.420 2.747 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2sccc2C)cc1 ZINC000154961794 729016948 /nfs/dbraw/zinc/01/69/48/729016948.db2.gz PMMKKQCLUCTUOE-OAHLLOKOSA-N -1 0 342.420 2.747 20 30 EFEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000069597643 729040199 /nfs/dbraw/zinc/04/01/99/729040199.db2.gz IEAHAFHOOCMQEF-OAHLLOKOSA-N -1 0 337.372 3.000 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 ZINC000069604559 729047210 /nfs/dbraw/zinc/04/72/10/729047210.db2.gz DASCVRGCGYCHMD-UHFFFAOYSA-N -1 0 337.319 2.777 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)cc2C)cc1 ZINC000155038133 729056655 /nfs/dbraw/zinc/05/66/55/729056655.db2.gz ZGDPMPPAZQWKMC-SFHVURJKSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000155048390 729066899 /nfs/dbraw/zinc/06/68/99/729066899.db2.gz MUEXCGMCPJMZEI-INIZCTEOSA-N -1 0 344.317 2.612 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC3)cc1 ZINC000155057700 729070346 /nfs/dbraw/zinc/07/03/46/729070346.db2.gz YWYCADRYPWXCEF-IBGZPJMESA-N -1 0 348.402 2.823 20 30 EFEDRM O=C([O-])c1cc(NN=Cc2cc3c(cc2O)OCO3)ccc1Cl ZINC000920358700 729175949 /nfs/dbraw/zinc/17/59/49/729175949.db2.gz ZCZKGPWEMBVUKK-UHFFFAOYSA-N -1 0 334.715 2.919 20 30 EFEDRM CCOc1ccc(C(CC)=NNc2nnc(C)c(=O)[n-]2)cc1OCC ZINC000920827775 729230886 /nfs/dbraw/zinc/23/08/86/729230886.db2.gz NYUAMOVHZNVYCZ-UHFFFAOYSA-N -1 0 345.403 2.909 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)OCCC(C)C)n1 ZINC000921091131 729259246 /nfs/dbraw/zinc/25/92/46/729259246.db2.gz FOTUAIRULTUQJZ-OLZOCXBDSA-N -1 0 338.429 2.622 20 30 EFEDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000075799028 729496924 /nfs/dbraw/zinc/49/69/24/729496924.db2.gz VGVXZYOFPUXGHE-SECBINFHSA-N -1 0 346.836 2.536 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cccn1Cc1ccccc1 ZINC000064618965 729501659 /nfs/dbraw/zinc/50/16/59/729501659.db2.gz IMKPYQMKHSXCOE-UHFFFAOYSA-N -1 0 347.440 2.572 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000175686660 729516237 /nfs/dbraw/zinc/51/62/37/729516237.db2.gz YKOFISPBSHCMTH-UHFFFAOYSA-N -1 0 328.393 2.943 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000179587071 729594595 /nfs/dbraw/zinc/59/45/95/729594595.db2.gz BMJMACMKBKNRJD-HNNXBMFYSA-N -1 0 340.404 2.723 20 30 EFEDRM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179733110 729619121 /nfs/dbraw/zinc/61/91/21/729619121.db2.gz OUOVXCCPGLFYSH-AWEZNQCLSA-N -1 0 329.400 2.630 20 30 EFEDRM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179737520 729619229 /nfs/dbraw/zinc/61/92/29/729619229.db2.gz FBFCXITWQNKDQN-JTQLQIEISA-N -1 0 343.770 2.674 20 30 EFEDRM CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccc2c(c1)OCCO2 ZINC000179738636 729619560 /nfs/dbraw/zinc/61/95/60/729619560.db2.gz WNFWKCNXTSJTEV-UHFFFAOYSA-N -1 0 338.363 2.951 20 30 EFEDRM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179743073 729620429 /nfs/dbraw/zinc/62/04/29/729620429.db2.gz DOHXUBXEIFMQHC-UHFFFAOYSA-N -1 0 338.367 2.803 20 30 EFEDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000068490868 729705495 /nfs/dbraw/zinc/70/54/95/729705495.db2.gz DALBXNWBNNBSLT-LLVKDONJSA-N -1 0 344.389 2.754 20 30 EFEDRM C=CCN(Cc1ccc(C)cc1)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001465118061 804178990 /nfs/dbraw/zinc/17/89/90/804178990.db2.gz VNKXPCWWMQIFTF-HZPDHXFCSA-N -1 0 337.441 2.566 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000780574244 939136086 /nfs/dbraw/zinc/13/60/86/939136086.db2.gz DFYHNPTZYYWOCO-KRWDZBQOSA-N -1 0 344.411 2.531 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000788314751 939148264 /nfs/dbraw/zinc/14/82/64/939148264.db2.gz JCSURNADFFWHJQ-AWEZNQCLSA-N -1 0 331.278 2.784 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000797736981 939199292 /nfs/dbraw/zinc/19/92/92/939199292.db2.gz MBVHXAGCDKROBP-HNNXBMFYSA-N -1 0 330.290 2.894 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000797742814 939204959 /nfs/dbraw/zinc/20/49/59/939204959.db2.gz GJONJYJRTIEELP-MRXNPFEDSA-N -1 0 342.326 2.785 20 30 EFEDRM CCCCCCCNC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000864531005 939255848 /nfs/dbraw/zinc/25/58/48/939255848.db2.gz SGPZRZOLAVBBQK-DYVFJYSZSA-N -1 0 328.453 2.914 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746338 939265857 /nfs/dbraw/zinc/26/58/57/939265857.db2.gz UMZZOLKTXHUIAP-CQSZACIVSA-N -1 0 345.317 2.930 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000902086376 939284338 /nfs/dbraw/zinc/28/43/38/939284338.db2.gz FDSPJZOZJOMSDC-FQEVSTJZSA-N -1 0 336.391 2.834 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001600111808 970768872 /nfs/dbraw/zinc/76/88/72/970768872.db2.gz IBWOQQZVQPELLU-UHFFFAOYSA-N -1 0 327.340 2.639 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC001601087086 970929412 /nfs/dbraw/zinc/92/94/12/970929412.db2.gz BHNSZPMLWOKMFI-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(Cn2cc(NC(=O)c3ccc(C(=O)[O-])cc3)cn2)cc1 ZINC001601103843 970933767 /nfs/dbraw/zinc/93/37/67/970933767.db2.gz QNQNUDBQTBWACT-UHFFFAOYSA-N -1 0 346.346 2.754 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(F)(F)F)c1 ZINC001601119092 970937323 /nfs/dbraw/zinc/93/73/23/970937323.db2.gz NTPPXJALDUJMPY-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1cnc(C(=O)[O-])cn1)CCCCC2 ZINC001611295810 970980204 /nfs/dbraw/zinc/98/02/04/970980204.db2.gz HIZRLIWMPORSDZ-UHFFFAOYSA-N -1 0 342.380 2.629 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001611299664 970982424 /nfs/dbraw/zinc/98/24/24/970982424.db2.gz NAYJRTHWCQXNAJ-UHFFFAOYSA-N -1 0 342.376 2.572 20 30 EFEDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000323412135 971002235 /nfs/dbraw/zinc/00/22/35/971002235.db2.gz QFKXEUTZHIOPHF-MRVPVSSYSA-N -1 0 347.186 2.980 20 30 EFEDRM C#C[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001602673505 971240361 /nfs/dbraw/zinc/24/03/61/971240361.db2.gz VNUFHORNINJEQU-ZANVPECISA-N -1 0 326.755 2.516 20 30 EFEDRM C#CCCOc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001602675793 971253868 /nfs/dbraw/zinc/25/38/68/971253868.db2.gz RJHFRVHZSWRREA-HNNXBMFYSA-N -1 0 331.412 2.956 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1ccc(OCC(C)C)cc1 ZINC001602679030 971258190 /nfs/dbraw/zinc/25/81/90/971258190.db2.gz JWQDOJVPJNOAJZ-UHFFFAOYSA-N -1 0 331.412 2.545 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001602683597 971274359 /nfs/dbraw/zinc/27/43/59/971274359.db2.gz GTGIDNDJOOQDKI-INIZCTEOSA-N -1 0 334.803 2.911 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cccc(C)c2)CCCC1 ZINC001602685663 971281807 /nfs/dbraw/zinc/28/18/07/971281807.db2.gz DETMECJKLQVRNF-UHFFFAOYSA-N -1 0 328.412 2.536 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC001602691717 971297934 /nfs/dbraw/zinc/29/79/34/971297934.db2.gz VGPVJKNQUFLKBC-UHFFFAOYSA-N -1 0 339.363 2.627 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001602704463 971334181 /nfs/dbraw/zinc/33/41/81/971334181.db2.gz GOEBLZNVHBOCJS-BQGCOEIASA-N -1 0 326.396 2.791 20 30 EFEDRM C#Cc1cccc(N(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C(C)C)c1 ZINC001602707378 971343709 /nfs/dbraw/zinc/34/37/09/971343709.db2.gz SLABARNHVVPTHI-DOTOQJQBSA-N -1 0 329.396 2.679 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001602710227 971350245 /nfs/dbraw/zinc/35/02/45/971350245.db2.gz QPTCEWGQXZOVQF-WAYWQWQTSA-N -1 0 345.351 2.681 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC001589585035 949037285 /nfs/dbraw/zinc/03/72/85/949037285.db2.gz YRNRFXRQDGGYTC-LPHOPBHVSA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)c(F)cc1F ZINC001602781602 971525750 /nfs/dbraw/zinc/52/57/50/971525750.db2.gz DNZDBLMBQZDBNQ-GFCCVEGCSA-N -1 0 347.115 2.670 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC001589591011 949084541 /nfs/dbraw/zinc/08/45/41/949084541.db2.gz BSYPNXKLIJDONL-QGZVFWFLSA-N -1 0 332.425 2.754 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC000092483793 949157197 /nfs/dbraw/zinc/15/71/97/949157197.db2.gz DQTCZOHPFVCJNY-UHFFFAOYSA-N -1 0 345.580 2.654 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 ZINC001589598350 949182015 /nfs/dbraw/zinc/18/20/15/949182015.db2.gz MGACZWVSMLFMMR-SFHVURJKSA-N -1 0 325.368 2.757 20 30 EFEDRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001602800062 971571964 /nfs/dbraw/zinc/57/19/64/971571964.db2.gz CJNCUORPJZHXTO-DYVFJYSZSA-N -1 0 338.363 2.667 20 30 EFEDRM O=C([O-])c1cnc(C(=O)Nc2ccccc2C#Cc2ccccc2)cn1 ZINC001595268443 949792607 /nfs/dbraw/zinc/79/26/07/949792607.db2.gz AVQNKZJSNFUSTH-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000233470119 949802320 /nfs/dbraw/zinc/80/23/20/949802320.db2.gz SXQPSSWJJJNWOL-UHFFFAOYSA-N -1 0 340.177 2.915 20 30 EFEDRM CCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](C)C(=O)[O-] ZINC001589710808 950321542 /nfs/dbraw/zinc/32/15/42/950321542.db2.gz HQRYOEKMVKIHNK-LBPRGKRZSA-N -1 0 342.351 2.665 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)c2coc(C#N)c2)c(C(=O)[O-])c1C ZINC001591466592 951147962 /nfs/dbraw/zinc/14/79/62/951147962.db2.gz JTHDMUADUOWDMY-UHFFFAOYSA-N -1 0 348.336 2.648 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001592343200 951322623 /nfs/dbraw/zinc/32/26/23/951322623.db2.gz FCJZVVVTIROTDR-INIZCTEOSA-N -1 0 339.351 2.904 20 30 EFEDRM O=C([O-])[C@H]1CCCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001595194172 952296367 /nfs/dbraw/zinc/29/63/67/952296367.db2.gz MZYPCUGHYTUFGL-CYBMUJFWSA-N -1 0 325.286 2.523 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589268345 953385068 /nfs/dbraw/zinc/38/50/68/953385068.db2.gz KXONHXFSTSHCPK-UNEWFSDZSA-N -1 0 344.411 2.531 20 30 EFEDRM CC[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)[O-] ZINC001593619398 953521445 /nfs/dbraw/zinc/52/14/45/953521445.db2.gz RTMYDOLHXFXDQP-AWEZNQCLSA-N -1 0 340.339 2.730 20 30 EFEDRM CCc1cc(C#N)ccc1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593628638 953574533 /nfs/dbraw/zinc/57/45/33/953574533.db2.gz PPPAOEJPQZMGDU-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001593635225 953606248 /nfs/dbraw/zinc/60/62/48/953606248.db2.gz IATSRLBOURSBBU-ZACQAIPSSA-N -1 0 344.411 2.542 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSCc1ccc(C#N)cc1 ZINC001589306684 953747902 /nfs/dbraw/zinc/74/79/02/953747902.db2.gz WBODAVOQBIAMIJ-DOMZBBRYSA-N -1 0 332.425 2.503 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593663220 953810444 /nfs/dbraw/zinc/81/04/44/953810444.db2.gz IPJYAXWAMSKFCK-CYBMUJFWSA-N -1 0 328.372 2.613 20 30 EFEDRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)c(Cl)c1 ZINC001593683380 953976144 /nfs/dbraw/zinc/97/61/44/953976144.db2.gz BVPXSEAUZZUPBZ-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001593709049 954171356 /nfs/dbraw/zinc/17/13/56/954171356.db2.gz FQBJLXSZJSFLQB-OAHLLOKOSA-N -1 0 331.416 2.634 20 30 EFEDRM CN(Cc1cc(C#N)cs1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593755845 954453081 /nfs/dbraw/zinc/45/30/81/954453081.db2.gz WDYQXZWCOHUCFE-UHFFFAOYSA-N -1 0 329.381 2.660 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001602993642 972031508 /nfs/dbraw/zinc/03/15/08/972031508.db2.gz OFGWLRMBOHPHDC-INIZCTEOSA-N -1 0 339.351 2.694 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)C(=O)[O-] ZINC001589497536 955019770 /nfs/dbraw/zinc/01/97/70/955019770.db2.gz HAQVDXPYKKFACU-UHFFFAOYSA-N -1 0 346.431 2.945 20 30 EFEDRM CC[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001589538285 955178693 /nfs/dbraw/zinc/17/86/93/955178693.db2.gz RENCHOXHFHTGIU-QMMMGPOBSA-N -1 0 345.277 2.689 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1OC ZINC000750083115 955263414 /nfs/dbraw/zinc/26/34/14/955263414.db2.gz MOVDLJHHKSULOG-MUCHVSCFSA-N -1 0 347.411 2.889 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000780569129 955341159 /nfs/dbraw/zinc/34/11/59/955341159.db2.gz RSCJBMQZCGJINH-KRWDZBQOSA-N -1 0 338.363 2.516 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1C#N ZINC001594503630 955345647 /nfs/dbraw/zinc/34/56/47/955345647.db2.gz FJKMKZDCYONHQC-YPMHNXCESA-N -1 0 342.380 2.758 20 30 EFEDRM Cc1nsc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C#N ZINC001594503729 955346087 /nfs/dbraw/zinc/34/60/87/955346087.db2.gz MHSHFSHYUSEWMP-ZDUSSCGKSA-N -1 0 342.380 2.539 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)cc1Br ZINC000819857155 955459794 /nfs/dbraw/zinc/45/97/94/955459794.db2.gz STJZRJVBRCSNBU-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(C)C ZINC000840990739 955573034 /nfs/dbraw/zinc/57/30/34/955573034.db2.gz WBNNHFYEPNTJID-KRWDZBQOSA-N -1 0 328.412 2.932 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000843320112 955627227 /nfs/dbraw/zinc/62/72/27/955627227.db2.gz FFRAGJLYFWDOOG-XQQFMLRXSA-N -1 0 331.372 2.552 20 30 EFEDRM C#Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848582129 955753373 /nfs/dbraw/zinc/75/33/73/955753373.db2.gz XASJAVBTRSQWKL-VBNZEHGJSA-N -1 0 328.412 2.603 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001594567801 955853056 /nfs/dbraw/zinc/85/30/56/955853056.db2.gz LAPZSDVLQLVYNO-UHFFFAOYSA-N -1 0 344.396 2.573 20 30 EFEDRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(C#N)c1 ZINC001589101454 955998777 /nfs/dbraw/zinc/99/87/77/955998777.db2.gz LNEPHIDTKLYPJP-UONOGXRCSA-N -1 0 329.400 2.906 20 30 EFEDRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(C#N)c1 ZINC001589101452 955999402 /nfs/dbraw/zinc/99/94/02/955999402.db2.gz LNEPHIDTKLYPJP-KBPBESRZSA-N -1 0 329.400 2.906 20 30 EFEDRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593920648 956073142 /nfs/dbraw/zinc/07/31/42/956073142.db2.gz NFLGNHMOMIEXKB-YVEFUNNKSA-N -1 0 338.363 2.502 20 30 EFEDRM C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114739 956085248 /nfs/dbraw/zinc/08/52/48/956085248.db2.gz VCWGFGLDGZKDIP-DVVUODLYSA-N -1 0 336.338 2.702 20 30 EFEDRM C[C@](NC(=O)c1ccc(Cl)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589117563 956104338 /nfs/dbraw/zinc/10/43/38/956104338.db2.gz LZWFVQCGLRSOQE-QGZVFWFLSA-N -1 0 328.755 2.941 20 30 EFEDRM N#C[C@@H](COC(=O)C1(C(=O)[O-])CCSCC1)Cc1ccccc1 ZINC001594601912 956140372 /nfs/dbraw/zinc/14/03/72/956140372.db2.gz SLTBGQSBNSXYSD-AWEZNQCLSA-N -1 0 333.409 2.510 20 30 EFEDRM N#CC(C(=O)C1(C(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC001594602269 956144169 /nfs/dbraw/zinc/14/41/69/956144169.db2.gz UTEFGAFXOLKIRG-SECBINFHSA-N -1 0 333.294 2.863 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594602741 956150981 /nfs/dbraw/zinc/15/09/81/956150981.db2.gz ZKKYWBUEUJVLLI-VVLHAWIVSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001594605928 956175078 /nfs/dbraw/zinc/17/50/78/956175078.db2.gz KTEIQXBJGOEYHC-UHFFFAOYSA-N -1 0 338.319 2.594 20 30 EFEDRM N#CC[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(F)(F)F ZINC001594606034 956176072 /nfs/dbraw/zinc/17/60/72/956176072.db2.gz MZNLQRUOPHFHDE-ZYHUDNBSSA-N -1 0 345.321 2.515 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001593931275 956184696 /nfs/dbraw/zinc/18/46/96/956184696.db2.gz ZUIVLGGGPJRJLH-APWZRJJASA-N -1 0 338.363 2.770 20 30 EFEDRM N#CCCN(C(=O)CSCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001594609149 956191098 /nfs/dbraw/zinc/19/10/98/956191098.db2.gz QXJJBTFSIXSWLR-UHFFFAOYSA-N -1 0 336.457 2.515 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594610039 956198639 /nfs/dbraw/zinc/19/86/39/956198639.db2.gz PDLKMTOFRQDOCD-MNOVXSKESA-N -1 0 337.759 2.786 20 30 EFEDRM N#CCOc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001594610206 956201107 /nfs/dbraw/zinc/20/11/07/956201107.db2.gz SUDKYQLFBHLIQP-UHFFFAOYSA-N -1 0 325.324 2.860 20 30 EFEDRM N#CCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001594610337 956201270 /nfs/dbraw/zinc/20/12/70/956201270.db2.gz WHXOOTJLEWUIRS-UHFFFAOYSA-N -1 0 344.754 2.974 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cs1 ZINC001594614294 956228980 /nfs/dbraw/zinc/22/89/80/956228980.db2.gz PWXXQPRMTKLDTA-LSDHHAIUSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc12 ZINC001594614178 956229828 /nfs/dbraw/zinc/22/98/28/956229828.db2.gz LQDFPXFGNPRIQC-CQSZACIVSA-N -1 0 325.368 2.899 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c([N+](=O)[O-])c1 ZINC001594615954 956236257 /nfs/dbraw/zinc/23/62/57/956236257.db2.gz JXACOSBEWCHCPL-DTWKUNHWSA-N -1 0 337.719 2.559 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3C(=O)[O-])CC2)c1 ZINC001594616060 956237622 /nfs/dbraw/zinc/23/76/22/956237622.db2.gz MZPGIMPPYFTPFD-UHFFFAOYSA-N -1 0 338.338 2.744 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccccc2C(=O)[O-])cnc1C(F)(F)F ZINC001594616157 956238770 /nfs/dbraw/zinc/23/87/70/956238770.db2.gz KBPSOQZQVLNVBZ-UHFFFAOYSA-N -1 0 349.268 2.600 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(F)c1 ZINC001594616262 956239764 /nfs/dbraw/zinc/23/97/64/956239764.db2.gz LVVIWBPOPCNNED-CYBMUJFWSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594616653 956243159 /nfs/dbraw/zinc/24/31/59/956243159.db2.gz PIOAXUKWUHGGNN-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c(F)c1 ZINC001594617779 956255179 /nfs/dbraw/zinc/25/51/79/956255179.db2.gz LFOUSVPEFZTYND-UHFFFAOYSA-N -1 0 346.339 2.782 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001594618144 956260876 /nfs/dbraw/zinc/26/08/76/956260876.db2.gz FOOJDVMZUFOXIY-GOSISDBHSA-N -1 0 346.386 2.800 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Nc2cncc(C(=O)[O-])c2)C2CC2)cc1 ZINC001594618214 956262360 /nfs/dbraw/zinc/26/23/60/956262360.db2.gz IYYGMTKAIBDHRJ-UHFFFAOYSA-N -1 0 336.351 2.848 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594619358 956266730 /nfs/dbraw/zinc/26/67/30/956266730.db2.gz ACZSIUSKDSIXQI-AWEZNQCLSA-N -1 0 333.363 2.626 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)s1 ZINC001594620877 956279396 /nfs/dbraw/zinc/27/93/96/956279396.db2.gz TWHAOCXGAYMQKT-UHFFFAOYSA-N -1 0 345.424 2.804 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594621042 956282464 /nfs/dbraw/zinc/28/24/64/956282464.db2.gz DKPZQHPDBPSGTL-GOSISDBHSA-N -1 0 349.390 2.542 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc21 ZINC000899316058 956285621 /nfs/dbraw/zinc/28/56/21/956285621.db2.gz CIGPDBTWSXGZNQ-ZDUSSCGKSA-N -1 0 328.372 2.551 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2n1 ZINC000899316607 956286367 /nfs/dbraw/zinc/28/63/67/956286367.db2.gz GTNHMOLYMLYQAD-UHFFFAOYSA-N -1 0 330.388 2.987 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc21 ZINC000899319171 956290099 /nfs/dbraw/zinc/29/00/99/956290099.db2.gz ZBGVVRXIPSCLRG-IUODEOHRSA-N -1 0 342.399 2.797 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(C2CC2)c1 ZINC001594622995 956295188 /nfs/dbraw/zinc/29/51/88/956295188.db2.gz STFJCCLWBMNQAJ-KGLIPLIRSA-N -1 0 328.368 2.644 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594627266 956321859 /nfs/dbraw/zinc/32/18/59/956321859.db2.gz OIRVYEXUCQSWRZ-KRWDZBQOSA-N -1 0 335.363 2.743 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594627200 956322404 /nfs/dbraw/zinc/32/24/04/956322404.db2.gz NIOXNBPLOSMWGU-KRWDZBQOSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594627822 956326243 /nfs/dbraw/zinc/32/62/43/956326243.db2.gz XBFQHUGKKYKJSR-KRWDZBQOSA-N -1 0 335.363 2.994 20 30 EFEDRM N#Cc1cccc(OC2CCN(C(=O)CCCCC(=O)[O-])CC2)c1 ZINC001594628341 956329882 /nfs/dbraw/zinc/32/98/82/956329882.db2.gz LPGJHCXAQGRVSY-UHFFFAOYSA-N -1 0 330.384 2.573 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594628553 956332849 /nfs/dbraw/zinc/33/28/49/956332849.db2.gz CAVKKVWKLQPTFZ-LPADLIQXSA-N -1 0 332.359 2.782 20 30 EFEDRM N#Cc1cccc2c1CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c3ccccc31)C2 ZINC001594628661 956335258 /nfs/dbraw/zinc/33/52/58/956335258.db2.gz IZPMFKRYQPNEEI-FUHWJXTLSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594628928 956338624 /nfs/dbraw/zinc/33/86/24/956338624.db2.gz WTUZKDTWHGQPJA-CQSZACIVSA-N -1 0 348.280 2.731 20 30 EFEDRM N#Cc1ccnc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001594631395 956341710 /nfs/dbraw/zinc/34/17/10/956341710.db2.gz FDMCAXGRQAUUNQ-AWEZNQCLSA-N -1 0 335.363 2.637 20 30 EFEDRM N#Cc1ccccc1NC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001594632296 956351678 /nfs/dbraw/zinc/35/16/78/956351678.db2.gz VHEAWWLRHIYHSB-UHFFFAOYSA-N -1 0 349.390 2.973 20 30 EFEDRM N#Cc1cnc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001594632719 956352548 /nfs/dbraw/zinc/35/25/48/956352548.db2.gz AEGQKCYAMGFLMD-LBPRGKRZSA-N -1 0 341.754 2.825 20 30 EFEDRM C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC000901693572 956420004 /nfs/dbraw/zinc/42/00/04/956420004.db2.gz CIOOZNMPKJTKSL-PBHICJAKSA-N -1 0 340.423 2.939 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC000901779871 956465402 /nfs/dbraw/zinc/46/54/02/956465402.db2.gz OBBPFRLVVBUOTO-UHFFFAOYSA-N -1 0 344.411 2.678 20 30 EFEDRM COC[C@@]1(C(=O)[O-])CCN(c2cc(C(F)(F)F)c(F)cc2C#N)C1 ZINC001593967141 956565025 /nfs/dbraw/zinc/56/50/25/956565025.db2.gz DQMIIPACGAKMIX-CQSZACIVSA-N -1 0 346.280 2.644 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001589211905 956697042 /nfs/dbraw/zinc/69/70/42/956697042.db2.gz FOLZFYRFKQTTHW-MRXNPFEDSA-N -1 0 339.313 2.674 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)ccc1C1CC1 ZINC000902702981 956776335 /nfs/dbraw/zinc/77/63/35/956776335.db2.gz VXGSTPRRBHZKOK-DZGCQCFKSA-N -1 0 328.368 2.644 20 30 EFEDRM O=C([O-])c1cccc(NN=C2C(=O)Nc3cc4c(cc32)OCCO4)c1 ZINC000013060682 956920950 /nfs/dbraw/zinc/92/09/50/956920950.db2.gz HOBLOSIGDBGFEF-UHFFFAOYSA-N -1 0 339.307 2.574 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC000904263195 956951064 /nfs/dbraw/zinc/95/10/64/956951064.db2.gz TUZDYXLCNFMGKI-OAHLLOKOSA-N -1 0 328.393 2.891 20 30 EFEDRM C[C@](CNC(=O)Nc1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001603183908 972284988 /nfs/dbraw/zinc/28/49/88/972284988.db2.gz YRZCSZRCHNVPLR-GOSISDBHSA-N -1 0 341.342 2.861 20 30 EFEDRM Cc1cc(C(=O)/C=C\c2ccc(N3CCC(C(=O)[O-])CC3)o2)no1 ZINC001594274518 957711025 /nfs/dbraw/zinc/71/10/25/957711025.db2.gz TUABNLPXNWCABA-RQOWECAXSA-N -1 0 330.340 2.773 20 30 EFEDRM Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc(C)c1C#N ZINC001594279192 957730211 /nfs/dbraw/zinc/73/02/11/957730211.db2.gz XBZDMGBIMUDYSA-HXUWFJFHSA-N -1 0 336.391 2.947 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603199640 972303881 /nfs/dbraw/zinc/30/38/81/972303881.db2.gz IMZMVIUATQMYHE-YVEFUNNKSA-N -1 0 340.354 2.818 20 30 EFEDRM C=C(C)[C@@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001340553714 957928807 /nfs/dbraw/zinc/92/88/07/957928807.db2.gz NZSSFRAXKIAZDD-IINYFYTJSA-N -1 0 326.343 2.992 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001340569270 957936750 /nfs/dbraw/zinc/93/67/50/957936750.db2.gz IYIBDPICKLMFPS-HNNXBMFYSA-N -1 0 336.436 2.663 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588386387 957977747 /nfs/dbraw/zinc/97/77/47/957977747.db2.gz QFKSBCCOOSOBIN-SQNIBIBYSA-N -1 0 334.375 2.973 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1C#N ZINC001594056971 958046338 /nfs/dbraw/zinc/04/63/38/958046338.db2.gz IGKJZCSLCVTZJW-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(CC)(CC)COCc1ccccc1 ZINC001588397729 958061780 /nfs/dbraw/zinc/06/17/80/958061780.db2.gz SDGNYMLMWSXZTQ-UHFFFAOYSA-N -1 0 331.412 2.556 20 30 EFEDRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001594317672 958087090 /nfs/dbraw/zinc/08/70/90/958087090.db2.gz OSYNSECPHBZYEU-RISCZKNCSA-N -1 0 344.415 2.507 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001588407420 958099789 /nfs/dbraw/zinc/09/97/89/958099789.db2.gz MDCSOQARXOPPNE-UHFFFAOYSA-N -1 0 337.375 2.876 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001588409087 958122577 /nfs/dbraw/zinc/12/25/77/958122577.db2.gz BNRIRPXGBXHAGE-SJORKVTESA-N -1 0 328.412 2.517 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001588409082 958122731 /nfs/dbraw/zinc/12/27/31/958122731.db2.gz BNRIRPXGBXHAGE-DLBZAZTESA-N -1 0 328.412 2.517 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC001588409803 958132172 /nfs/dbraw/zinc/13/21/72/958132172.db2.gz KNMXAQZTJZZDNY-ZDUSSCGKSA-N -1 0 334.441 2.978 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001588412893 958154823 /nfs/dbraw/zinc/15/48/23/958154823.db2.gz MHVHUFBKOCRJGW-UHFFFAOYSA-N -1 0 332.359 2.638 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC001588413060 958156474 /nfs/dbraw/zinc/15/64/74/958156474.db2.gz QKIQRCNRWXXUPQ-SNVBAGLBSA-N -1 0 344.289 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC001588413170 958157807 /nfs/dbraw/zinc/15/78/07/958157807.db2.gz UCETXDMMWWANNL-UHFFFAOYSA-N -1 0 336.438 2.717 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC001588415883 958159424 /nfs/dbraw/zinc/15/94/24/958159424.db2.gz CGOGBVVIYUZNDL-UHFFFAOYSA-N -1 0 325.339 2.961 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001588415950 958161703 /nfs/dbraw/zinc/16/17/03/958161703.db2.gz DOIJKQVMVRUGPM-UHFFFAOYSA-N -1 0 326.377 2.553 20 30 EFEDRM C[C@@](NC(=O)C(=O)/C=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001603211436 972326299 /nfs/dbraw/zinc/32/62/99/972326299.db2.gz ZPZHOQGQGWCPKH-DLENHJPASA-N -1 0 341.338 2.524 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001588418883 958188050 /nfs/dbraw/zinc/18/80/50/958188050.db2.gz INNPDAPUVQAOAX-UHFFFAOYSA-N -1 0 344.754 2.687 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC001594328006 958190058 /nfs/dbraw/zinc/19/00/58/958190058.db2.gz DOBQUXDZWORJJL-NSHDSACASA-N -1 0 340.339 2.649 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001357175933 958192869 /nfs/dbraw/zinc/19/28/69/958192869.db2.gz XROKJZVEILHFIC-LSDHHAIUSA-N -1 0 334.441 2.908 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCC(=O)[O-] ZINC001594328625 958197364 /nfs/dbraw/zinc/19/73/64/958197364.db2.gz YVAPUAWFOXRBMQ-UHFFFAOYSA-N -1 0 325.324 2.857 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc2c(C)nn(C(C)(C)C)c2nc1Cl ZINC001588424838 958221275 /nfs/dbraw/zinc/22/12/75/958221275.db2.gz YMLHPGRBGYFKOO-UHFFFAOYSA-N -1 0 348.834 2.668 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001588424881 958221885 /nfs/dbraw/zinc/22/18/85/958221885.db2.gz ZVPTXWSRTGPCRO-UHFFFAOYSA-N -1 0 337.301 2.615 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001594331680 958232906 /nfs/dbraw/zinc/23/29/06/958232906.db2.gz WHUSZLLJRPEKAM-HWKANZROSA-N -1 0 336.307 2.686 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588432288 958277038 /nfs/dbraw/zinc/27/70/38/958277038.db2.gz JCKHLPNFRBCEIG-NTMALXAHSA-N -1 0 327.311 2.792 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cn1 ZINC001588432735 958285616 /nfs/dbraw/zinc/28/56/16/958285616.db2.gz AUDRMWMLJVEGMC-UHFFFAOYSA-N -1 0 334.375 2.781 20 30 EFEDRM C=C(C)CONC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588439440 958318264 /nfs/dbraw/zinc/31/82/64/958318264.db2.gz CDQWZIUPTUONEB-UHFFFAOYSA-N -1 0 329.150 2.777 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001588439628 958321421 /nfs/dbraw/zinc/32/14/21/958321421.db2.gz YSPTZTRBMYUIEK-SFHVURJKSA-N -1 0 334.375 2.562 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000096792495 958340241 /nfs/dbraw/zinc/34/02/41/958340241.db2.gz IVGCSUFXDQRUQM-YFHOEESVSA-N -1 0 327.292 2.954 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC001588443132 958350122 /nfs/dbraw/zinc/35/01/22/958350122.db2.gz NLAVTSHVVAGTKQ-UHFFFAOYSA-N -1 0 330.344 2.567 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001588443074 958350699 /nfs/dbraw/zinc/35/06/99/958350699.db2.gz MUHPZEUKRQZAES-STQMWFEESA-N -1 0 330.388 2.661 20 30 EFEDRM C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443492 958353826 /nfs/dbraw/zinc/35/38/26/958353826.db2.gz RWAWJISAKWVWTM-UHFFFAOYSA-N -1 0 332.448 2.888 20 30 EFEDRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001603227337 972345341 /nfs/dbraw/zinc/34/53/41/972345341.db2.gz LDODXFCJXPXWBZ-UKRRQHHQSA-N -1 0 329.400 2.906 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588457011 958441690 /nfs/dbraw/zinc/44/16/90/958441690.db2.gz FZTZHCLSQNFXMQ-MRVPVSSYSA-N -1 0 330.743 2.626 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC001573317481 958451033 /nfs/dbraw/zinc/45/10/33/958451033.db2.gz BIPOAVKJHDJOEW-UHFFFAOYSA-N -1 0 331.437 2.946 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001573317507 958451433 /nfs/dbraw/zinc/45/14/33/958451433.db2.gz BYAOHVDMGZGGFN-WHOFXGATSA-N -1 0 334.803 2.767 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC001573317564 958452242 /nfs/dbraw/zinc/45/22/42/958452242.db2.gz KLJOOAFMATYRLS-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC001573318042 958458762 /nfs/dbraw/zinc/45/87/62/958458762.db2.gz SDWIYISDOWHSDX-GFCCVEGCSA-N -1 0 344.367 2.540 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001573318376 958464465 /nfs/dbraw/zinc/46/44/65/958464465.db2.gz WBGRSGUBSOVQAF-UHFFFAOYSA-N -1 0 328.412 2.519 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573318528 958466113 /nfs/dbraw/zinc/46/61/13/958466113.db2.gz PTNNFQCCZQLGKO-MAUKXSAKSA-N -1 0 332.375 2.786 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588460157 958472669 /nfs/dbraw/zinc/47/26/69/958472669.db2.gz YCCAJPPHAQKEDG-IRXDYDNUSA-N -1 0 347.411 2.793 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001588460174 958473149 /nfs/dbraw/zinc/47/31/49/958473149.db2.gz ZDXYJZKTQQPQJL-UHFFFAOYSA-N -1 0 326.352 2.930 20 30 EFEDRM COc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1C#N ZINC001594106783 958474815 /nfs/dbraw/zinc/47/48/15/958474815.db2.gz WWNFYSXLQUEKJY-CYBMUJFWSA-N -1 0 333.388 2.968 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC001588460702 958477731 /nfs/dbraw/zinc/47/77/31/958477731.db2.gz UEPZDKPPWMZTQY-WFASDCNBSA-N -1 0 325.430 2.583 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001573321119 958480163 /nfs/dbraw/zinc/48/01/63/958480163.db2.gz SSMYTITXAFPDEY-UHFFFAOYSA-N -1 0 334.331 2.511 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc2c(Br)cccc12 ZINC001573321468 958482045 /nfs/dbraw/zinc/48/20/45/958482045.db2.gz YARLXTVUIZTISB-UHFFFAOYSA-N -1 0 346.180 2.762 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001588465242 958499516 /nfs/dbraw/zinc/49/95/16/958499516.db2.gz SJMLMJBCADHOTE-LBPRGKRZSA-N -1 0 343.408 2.960 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001588465241 958500086 /nfs/dbraw/zinc/50/00/86/958500086.db2.gz SJMLMJBCADHOTE-GFCCVEGCSA-N -1 0 343.408 2.960 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001573328788 958501815 /nfs/dbraw/zinc/50/18/15/958501815.db2.gz OFXMPJJNBRCHQX-UHFFFAOYSA-N -1 0 331.372 2.734 20 30 EFEDRM C=CCCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001573328987 958505535 /nfs/dbraw/zinc/50/55/35/958505535.db2.gz UDGVSBIABFWXHB-ZJUUUORDSA-N -1 0 339.413 3.000 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001588466297 958510242 /nfs/dbraw/zinc/51/02/42/958510242.db2.gz IHIWTYLGCKPXNI-UHFFFAOYSA-N -1 0 343.335 2.916 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588466554 958515686 /nfs/dbraw/zinc/51/56/86/958515686.db2.gz ZKRDYLSIUPQERW-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2n1 ZINC001573336688 958519849 /nfs/dbraw/zinc/51/98/49/958519849.db2.gz HIXMXDTUMCEWCN-GOSISDBHSA-N -1 0 325.368 2.972 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)cc21 ZINC001573336622 958519921 /nfs/dbraw/zinc/51/99/21/958519921.db2.gz FEHMQWMSCPPKIR-OCCSQVGLSA-N -1 0 342.399 2.939 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573337574 958523342 /nfs/dbraw/zinc/52/33/42/958523342.db2.gz RVZZEWYLDSINEY-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001573337614 958525909 /nfs/dbraw/zinc/52/59/09/958525909.db2.gz SUYYGBMKFHYDPB-UHFFFAOYSA-N -1 0 340.379 2.949 20 30 EFEDRM C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588472019 958538999 /nfs/dbraw/zinc/53/89/99/958538999.db2.gz HYGHRAZJJSODFO-MRXNPFEDSA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588472018 958539180 /nfs/dbraw/zinc/53/91/80/958539180.db2.gz HYGHRAZJJSODFO-INIZCTEOSA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001588473299 958549876 /nfs/dbraw/zinc/54/98/76/958549876.db2.gz XVNVEEQYXODZDX-AGIUHOORSA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc2n1 ZINC001588475338 958562278 /nfs/dbraw/zinc/56/22/78/958562278.db2.gz YILMRXRNTYMCRN-UHFFFAOYSA-N -1 0 328.372 2.741 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001573363286 958606760 /nfs/dbraw/zinc/60/67/60/958606760.db2.gz IMZWTUVIUWUZAE-CQSZACIVSA-N -1 0 329.183 2.657 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C(=O)[O-])c1 ZINC001594395489 958765973 /nfs/dbraw/zinc/76/59/73/958765973.db2.gz AYFFAZYWJYJLDP-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)Nc2cccc(OCC#N)c2)C(=O)[O-])c1 ZINC001594398251 958798372 /nfs/dbraw/zinc/79/83/72/958798372.db2.gz SYQIUOSBDNMTTK-MRXNPFEDSA-N -1 0 339.351 2.845 20 30 EFEDRM C[C@@](NC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001603239831 972382859 /nfs/dbraw/zinc/38/28/59/972382859.db2.gz ZYOHJOAQDJPDPN-KRWDZBQOSA-N -1 0 328.755 2.941 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC001588533947 958914607 /nfs/dbraw/zinc/91/46/07/958914607.db2.gz BRMKDSLGEJOVGI-YJBOKZPZSA-N -1 0 326.396 2.787 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001588538141 958939550 /nfs/dbraw/zinc/93/95/50/958939550.db2.gz CWOSFEOQBDEPNA-KDOFPFPSSA-N -1 0 340.383 2.621 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001588539970 958956899 /nfs/dbraw/zinc/95/68/99/958956899.db2.gz IRYUUPLNKAZOSG-CYBMUJFWSA-N -1 0 341.154 2.813 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001588541914 958967937 /nfs/dbraw/zinc/96/79/37/958967937.db2.gz OFVXCEDXXOAUMA-ZOWXZIJZSA-N -1 0 340.301 2.682 20 30 EFEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)[O-] ZINC001588542764 958974424 /nfs/dbraw/zinc/97/44/24/958974424.db2.gz DAJLLKGGNZNYGO-SNVBAGLBSA-N -1 0 328.290 2.811 20 30 EFEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)[O-] ZINC001588542762 958974876 /nfs/dbraw/zinc/97/48/76/958974876.db2.gz DAJLLKGGNZNYGO-JTQLQIEISA-N -1 0 328.290 2.811 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000149987187 959032004 /nfs/dbraw/zinc/03/20/04/959032004.db2.gz KVXUMNMCBRHCCX-GXFFZTMASA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000149956621 959033080 /nfs/dbraw/zinc/03/30/80/959033080.db2.gz RCRTZGXPHJUNLG-SECBINFHSA-N -1 0 325.748 2.900 20 30 EFEDRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC001588575473 959219316 /nfs/dbraw/zinc/21/93/16/959219316.db2.gz NQADKZXHFMYLEP-CYBMUJFWSA-N -1 0 338.363 2.991 20 30 EFEDRM C[C@H](C(=O)[O-])N(c1cc(Br)c(C#N)cc1F)C1CC1 ZINC001588598019 959399521 /nfs/dbraw/zinc/39/95/21/959399521.db2.gz YLKIYNPGUFZMTM-SSDOTTSWSA-N -1 0 327.153 2.902 20 30 EFEDRM Cc1nc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)sc1SCC#N ZINC001594455968 959416073 /nfs/dbraw/zinc/41/60/73/959416073.db2.gz DEMHWRNIJOLNPX-AWEZNQCLSA-N -1 0 337.426 2.817 20 30 EFEDRM CC(C)(C(=O)NCc1ccccc1C(=O)[O-])c1cc(F)cc(C#N)c1 ZINC001588610086 959502225 /nfs/dbraw/zinc/50/22/25/959502225.db2.gz NRQRXXAWXLDWTG-UHFFFAOYSA-N -1 0 340.354 2.990 20 30 EFEDRM C[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622456 959522354 /nfs/dbraw/zinc/52/23/54/959522354.db2.gz KYUMSCRXJASYLP-LEWSCRJBSA-N -1 0 339.395 2.905 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000192870869 959595218 /nfs/dbraw/zinc/59/52/18/959595218.db2.gz RRTYSXGYILJVLS-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001588631169 959612674 /nfs/dbraw/zinc/61/26/74/959612674.db2.gz FNCKGNVFTVSSEI-MRXNPFEDSA-N -1 0 326.396 2.921 20 30 EFEDRM COC(=O)c1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000213184367 959718670 /nfs/dbraw/zinc/71/86/70/959718670.db2.gz XPLDZFWDURAJDL-WCIBSUBMSA-N -1 0 340.331 2.833 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-] ZINC001588650142 959755395 /nfs/dbraw/zinc/75/53/95/959755395.db2.gz AKBHMCZFGKVLPU-OAHLLOKOSA-N -1 0 332.400 2.527 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)CSCc1ccc(C#N)cc1 ZINC001588652814 959784781 /nfs/dbraw/zinc/78/47/81/959784781.db2.gz UUSKJSYEQQXZSK-UHFFFAOYSA-N -1 0 334.441 2.751 20 30 EFEDRM C[C@@H]1CN(c2ccc(C#N)c(Br)c2F)C[C@H]1C(=O)[O-] ZINC000235324712 960410141 /nfs/dbraw/zinc/41/01/41/960410141.db2.gz WLQSNVSVNSHVSA-VXNVDRBHSA-N -1 0 327.153 2.617 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[C@@H]1C(=O)[O-] ZINC001573748498 960520237 /nfs/dbraw/zinc/52/02/37/960520237.db2.gz GSHFJVMAWGEDSJ-ISTRZQFTSA-N -1 0 341.411 2.688 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1C#N ZINC001574258170 960554623 /nfs/dbraw/zinc/55/46/23/960554623.db2.gz XLKQTZMNJYTSHA-CYBMUJFWSA-N -1 0 347.440 2.639 20 30 EFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259216585 960671620 /nfs/dbraw/zinc/67/16/20/960671620.db2.gz DTDYBVRWTSFWNY-UHFFFAOYSA-N -1 0 333.768 2.540 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001573785278 960732011 /nfs/dbraw/zinc/73/20/11/960732011.db2.gz PXPUXWTWERKSJD-UHFFFAOYSA-N -1 0 344.346 2.713 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC001573818354 960925767 /nfs/dbraw/zinc/92/57/67/960925767.db2.gz AFAITOYVMBHDOM-FZKQIMNGSA-N -1 0 329.400 2.906 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C#N ZINC001574367184 961045255 /nfs/dbraw/zinc/04/52/55/961045255.db2.gz AIGSSUGLOADOTG-AWEZNQCLSA-N -1 0 329.400 2.653 20 30 EFEDRM CCCOc1ccc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OC ZINC001573860597 961170739 /nfs/dbraw/zinc/17/07/39/961170739.db2.gz VNZXVZYPJYZEIJ-KPZWWZAWSA-N -1 0 348.399 2.666 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001588809210 961508416 /nfs/dbraw/zinc/50/84/16/961508416.db2.gz GEYZZXZEUZLABQ-NSHDSACASA-N -1 0 330.262 2.752 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573920121 961527170 /nfs/dbraw/zinc/52/71/70/961527170.db2.gz DAQRLDPDABDZGO-VMPITWQZSA-N -1 0 326.308 2.900 20 30 EFEDRM N#C[C@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001574479380 961648217 /nfs/dbraw/zinc/64/82/17/961648217.db2.gz HSDXKZMBPPXFAN-DVVUODLYSA-N -1 0 349.184 2.514 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001574485859 961680066 /nfs/dbraw/zinc/68/00/66/961680066.db2.gz LGUUIGUYJJVZMX-INIZCTEOSA-N -1 0 329.400 2.530 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001574486226 961683465 /nfs/dbraw/zinc/68/34/65/961683465.db2.gz STIAGKZIERAMFM-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001574486362 961683953 /nfs/dbraw/zinc/68/39/53/961683953.db2.gz VHBIDJGKIRVLNW-BDAKNGLRSA-N -1 0 327.167 2.848 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccccc1C(=O)[O-] ZINC001574490060 961711266 /nfs/dbraw/zinc/71/12/66/961711266.db2.gz TVQPJIXKKNSHCE-GOSISDBHSA-N -1 0 334.375 2.993 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588835057 961758073 /nfs/dbraw/zinc/75/80/73/961758073.db2.gz BKGCCGYGWOXBIX-HNNXBMFYSA-N -1 0 332.400 2.579 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991946 961838756 /nfs/dbraw/zinc/83/87/56/961838756.db2.gz YMBBXUZRVMUJDG-ZWKOTPCHSA-N -1 0 349.390 2.667 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851396 961927678 /nfs/dbraw/zinc/92/76/78/961927678.db2.gz CTJOVUSXJMBMSZ-ZBFHGGJFSA-N -1 0 329.400 2.592 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851512 961929945 /nfs/dbraw/zinc/92/99/45/961929945.db2.gz GKRMOKDKABQKIT-RDJZCZTQSA-N -1 0 343.427 2.982 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccncc1 ZINC001341245076 962119199 /nfs/dbraw/zinc/11/91/99/962119199.db2.gz UWIFUQITNVUYBJ-HOCLYGCPSA-N -1 0 331.416 2.985 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001571181044 962156505 /nfs/dbraw/zinc/15/65/05/962156505.db2.gz GDXFMHOCEXHDAP-SNVBAGLBSA-N -1 0 329.312 2.590 20 30 EFEDRM C=CCO[C@H]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC001343708951 962167636 /nfs/dbraw/zinc/16/76/36/962167636.db2.gz ADTLSBKBEQHLJU-STQMWFEESA-N -1 0 335.425 2.669 20 30 EFEDRM CCc1nnc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(C#N)c1CC ZINC001571182299 962173297 /nfs/dbraw/zinc/17/32/97/962173297.db2.gz RYWSRZOCAUCPLF-KZULUSFZSA-N -1 0 328.416 2.554 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)CC(=O)[O-] ZINC001588892530 962208017 /nfs/dbraw/zinc/20/80/17/962208017.db2.gz QOYOYIVHTLQVDR-YOEHRIQHSA-N -1 0 343.427 2.982 20 30 EFEDRM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001571186888 962216390 /nfs/dbraw/zinc/21/63/90/962216390.db2.gz WXAVDVBIHALFEX-ZYHUDNBSSA-N -1 0 329.381 2.716 20 30 EFEDRM N#Cc1cccc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c1F ZINC001571187587 962225264 /nfs/dbraw/zinc/22/52/64/962225264.db2.gz IPGRTZPDKICWJK-HNNXBMFYSA-N -1 0 330.290 2.689 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1sccc1C#N)c1ccncc1 ZINC001571190170 962237578 /nfs/dbraw/zinc/23/75/78/962237578.db2.gz ATQLGYKSYRRHNF-OAHLLOKOSA-N -1 0 330.369 2.526 20 30 EFEDRM N#Cc1cc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cs1 ZINC001571192449 962275645 /nfs/dbraw/zinc/27/56/45/962275645.db2.gz DSWXVKMDPSMBCJ-UHFFFAOYSA-N -1 0 330.340 2.656 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001571196511 962318383 /nfs/dbraw/zinc/31/83/83/962318383.db2.gz ODSIFYMZMZAPMJ-PBHICJAKSA-N -1 0 331.347 2.867 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1OC ZINC001347610617 962416671 /nfs/dbraw/zinc/41/66/71/962416671.db2.gz GZRQPXAIEWIYAU-GXTWGEPZSA-N -1 0 333.384 2.633 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cn1 ZINC001571216433 962507420 /nfs/dbraw/zinc/50/74/20/962507420.db2.gz REMJSTAQKWOUIS-UHFFFAOYSA-N -1 0 333.706 2.625 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001588936483 962508021 /nfs/dbraw/zinc/50/80/21/962508021.db2.gz SHQUPDAQAONEBJ-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001588940269 962521873 /nfs/dbraw/zinc/52/18/73/962521873.db2.gz JYGYMZFKEPNJTH-YPMHNXCESA-N -1 0 331.372 2.720 20 30 EFEDRM N#CC[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001571218206 962529907 /nfs/dbraw/zinc/52/99/07/962529907.db2.gz VYRVINIWYUEDCJ-QZTJIDSGSA-N -1 0 334.375 2.894 20 30 EFEDRM C#CC[C@@H](NC(=O)CSCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573301509 962628618 /nfs/dbraw/zinc/62/86/18/962628618.db2.gz AEPHDLJCXYFQRR-OAHLLOKOSA-N -1 0 333.453 2.810 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)C ZINC001573302127 962643870 /nfs/dbraw/zinc/64/38/70/962643870.db2.gz JSSBCCJSPPGAIH-LLVKDONJSA-N -1 0 340.326 2.808 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001573302111 962644885 /nfs/dbraw/zinc/64/48/85/962644885.db2.gz JBZSFJQEMIFJCB-VIFPVBQESA-N -1 0 342.754 2.727 20 30 EFEDRM C#C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001573302246 962648558 /nfs/dbraw/zinc/64/85/58/962648558.db2.gz LKBFZUABUQYOCX-MSOLQXFVSA-N -1 0 334.375 2.755 20 30 EFEDRM C#CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573312808 962724761 /nfs/dbraw/zinc/72/47/61/962724761.db2.gz ZHTOXKNBJQYVFH-FXAWDEMLSA-N -1 0 335.359 2.896 20 30 EFEDRM C#Cc1ccc([C@H](OC(=O)c2cc(C(=O)[O-])on2)C(F)(F)F)cc1 ZINC001573312833 962727120 /nfs/dbraw/zinc/72/71/20/962727120.db2.gz ZRIZPVIYBFCNDK-LBPRGKRZSA-N -1 0 339.225 2.815 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCC(=O)c1ccc(OCC)cc1)C(=O)[O-] ZINC001573320886 962752558 /nfs/dbraw/zinc/75/25/58/962752558.db2.gz GBSKFDFYMAHDOU-HNNXBMFYSA-N -1 0 333.384 2.584 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCC(=O)c1ccc(OCC)cc1)C(=O)[O-] ZINC001573320887 962752899 /nfs/dbraw/zinc/75/28/99/962752899.db2.gz GBSKFDFYMAHDOU-OAHLLOKOSA-N -1 0 333.384 2.584 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001573324359 962782933 /nfs/dbraw/zinc/78/29/33/962782933.db2.gz PYGLXYWXIATTMC-JTQLQIEISA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001573325133 962792494 /nfs/dbraw/zinc/79/24/94/962792494.db2.gz DSBRPOKVKRAYDH-OAHLLOKOSA-N -1 0 331.347 2.518 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001573325588 962797919 /nfs/dbraw/zinc/79/79/19/962797919.db2.gz LRPTVWMVZFMNLZ-UHFFFAOYSA-N -1 0 331.290 2.965 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC001573331830 962816628 /nfs/dbraw/zinc/81/66/28/962816628.db2.gz CCTNBTCJKZGEPW-UHFFFAOYSA-N -1 0 345.395 2.538 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001573331934 962819875 /nfs/dbraw/zinc/81/98/75/962819875.db2.gz DXUWYWAOEVFERC-UHFFFAOYSA-N -1 0 339.432 2.768 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC001573331911 962820192 /nfs/dbraw/zinc/82/01/92/962820192.db2.gz DQOWRNJFXXBZPM-CQSZACIVSA-N -1 0 344.411 2.802 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC001573331910 962820760 /nfs/dbraw/zinc/82/07/60/962820760.db2.gz DQOWRNJFXXBZPM-AWEZNQCLSA-N -1 0 344.411 2.802 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(Br)c1OC)C(=O)[O-] ZINC001520173066 962826494 /nfs/dbraw/zinc/82/64/94/962826494.db2.gz IBMCSAKJQMNGIL-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2sc(Br)cc2C1 ZINC001573332341 962830950 /nfs/dbraw/zinc/83/09/50/962830950.db2.gz MGDHSBZDZPVQMH-UHFFFAOYSA-N -1 0 344.230 2.816 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC001573336974 962862883 /nfs/dbraw/zinc/86/28/83/962862883.db2.gz JTMOKERYDVTROF-UHFFFAOYSA-N -1 0 349.387 2.812 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC001573337452 962866361 /nfs/dbraw/zinc/86/63/61/962866361.db2.gz NXEAZWSGVYLKHO-UHFFFAOYSA-N -1 0 335.356 2.620 20 30 EFEDRM C=C(Cl)C[C@H](NCc1cc(C(=O)[O-])c(CC)o1)C(=O)OCC ZINC001573339465 962891541 /nfs/dbraw/zinc/89/15/41/962891541.db2.gz SRMCFNZBEYUIIM-LBPRGKRZSA-N -1 0 329.780 2.704 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526766664 962909565 /nfs/dbraw/zinc/90/95/65/962909565.db2.gz RXDSRMLQWQSSAN-ZFWWWQNUSA-N -1 0 334.416 2.758 20 30 EFEDRM C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573344391 962918002 /nfs/dbraw/zinc/91/80/02/962918002.db2.gz VSNBPIPGYAOISY-JTQLQIEISA-N -1 0 326.828 2.845 20 30 EFEDRM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001573348521 962958968 /nfs/dbraw/zinc/95/89/68/962958968.db2.gz YBLBBKNQLVMZLO-HBUWYVDXSA-N -1 0 346.431 2.616 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001573348418 962959138 /nfs/dbraw/zinc/95/91/38/962959138.db2.gz WTUZUVDHNIYILY-UHFFFAOYSA-N -1 0 343.420 2.724 20 30 EFEDRM C=CCCC[C@H](NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573356574 963007534 /nfs/dbraw/zinc/00/75/34/963007534.db2.gz DWFCBXPNIGNHOC-LBPRGKRZSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)C(=O)[O-] ZINC001573356472 963008150 /nfs/dbraw/zinc/00/81/50/963008150.db2.gz BZGOCYRDYFGOAZ-LBPRGKRZSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001573357118 963012802 /nfs/dbraw/zinc/01/28/02/963012802.db2.gz JNIAFDWPQLUZMF-QFBILLFUSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001573357382 963015772 /nfs/dbraw/zinc/01/57/72/963015772.db2.gz MVVQKAHQBJKZOU-SNVBAGLBSA-N -1 0 345.367 2.782 20 30 EFEDRM C=CCCSCCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC001573360311 963035030 /nfs/dbraw/zinc/03/50/30/963035030.db2.gz LSZYHLOCKMMBMU-UHFFFAOYSA-N -1 0 337.445 2.928 20 30 EFEDRM C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573360290 963035369 /nfs/dbraw/zinc/03/53/69/963035369.db2.gz LLNNCQWWCVQLQT-UHFFFAOYSA-N -1 0 329.404 2.540 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(Br)c1N)C(=O)[O-] ZINC001573365703 963055771 /nfs/dbraw/zinc/05/57/71/963055771.db2.gz HNZVJPQQOCLMLZ-NSHDSACASA-N -1 0 341.205 2.571 20 30 EFEDRM C=CCCCCn1c(CC2CC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573366571 963060305 /nfs/dbraw/zinc/06/03/05/963060305.db2.gz NBQLZYWVPRHKMO-UHFFFAOYSA-N -1 0 332.448 2.888 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2)C(=O)[O-] ZINC001573366707 963061531 /nfs/dbraw/zinc/06/15/31/963061531.db2.gz PAAXOPRLALQVLH-BLLLJJGKSA-N -1 0 346.427 2.841 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC001573366929 963062808 /nfs/dbraw/zinc/06/28/08/963062808.db2.gz PYGJZNGLNJPQQQ-ZDUSSCGKSA-N -1 0 343.339 2.682 20 30 EFEDRM C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573367249 963064331 /nfs/dbraw/zinc/06/43/31/963064331.db2.gz TUGPZLYAZWKKTR-HNNXBMFYSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001573368707 963085916 /nfs/dbraw/zinc/08/59/16/963085916.db2.gz PMACYPIFCRUDCS-INIZCTEOSA-N -1 0 346.427 2.894 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001573368839 963087285 /nfs/dbraw/zinc/08/72/85/963087285.db2.gz SHOARFIODNHVDM-CSKARUKUSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001573369121 963092488 /nfs/dbraw/zinc/09/24/88/963092488.db2.gz OWPNVUQAOFBDKV-IFXJQAMLSA-N -1 0 331.412 2.963 20 30 EFEDRM C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001573369123 963093255 /nfs/dbraw/zinc/09/32/55/963093255.db2.gz OWPNVUQAOFBDKV-KUHUBIRLSA-N -1 0 331.412 2.963 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001573379400 963106404 /nfs/dbraw/zinc/10/64/04/963106404.db2.gz GOAABRDGPQJTCE-JYJNAYRXSA-N -1 0 346.427 2.729 20 30 EFEDRM C#CCCCNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312450433 963563324 /nfs/dbraw/zinc/56/33/24/963563324.db2.gz JYYOANMAYCTUBW-UHFFFAOYSA-N -1 0 339.189 2.991 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1Br ZINC000312719764 963587587 /nfs/dbraw/zinc/58/75/87/963587587.db2.gz FKIQCVBNYIYAAH-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588442246 964056374 /nfs/dbraw/zinc/05/63/74/964056374.db2.gz HCFBSHSYEQQWFU-GFCCVEGCSA-N -1 0 330.363 2.571 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001588446907 964079865 /nfs/dbraw/zinc/07/98/65/964079865.db2.gz NAPHJUQZEQLHAF-OAHLLOKOSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCCCc1nnc(N2CCc3cc(C(=O)[O-])ccc3C2)n1CC ZINC001588447305 964085914 /nfs/dbraw/zinc/08/59/14/964085914.db2.gz WBCNBLLXDBSNSB-UHFFFAOYSA-N -1 0 338.411 2.515 20 30 EFEDRM C[C@@H]1CCN(c2nccc(Oc3cccc(C#N)c3)n2)C[C@@H]1C(=O)[O-] ZINC000886909589 969408150 /nfs/dbraw/zinc/40/81/50/969408150.db2.gz CDWYNXXEBGMBMK-DOMZBBRYSA-N -1 0 338.367 2.688 20 30 EFEDRM CSc1ccc(CNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000898870916 969416904 /nfs/dbraw/zinc/41/69/04/969416904.db2.gz IYRSHELANYLIFN-SMDDNHRTSA-N -1 0 347.440 2.532 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)cc2n1 ZINC000899316596 969419787 /nfs/dbraw/zinc/41/97/87/969419787.db2.gz GQOOBUUCYPYFNS-JSGCOSHPSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901755634 969471272 /nfs/dbraw/zinc/47/12/72/969471272.db2.gz UUKWKIYFSLSPHF-GJZGRUSLSA-N -1 0 335.375 2.610 20 30 EFEDRM N#Cc1cc(NC(=O)C2(C(=O)[O-])CCSCC2)ccc1C1CC1 ZINC000902702991 969557986 /nfs/dbraw/zinc/55/79/86/969557986.db2.gz WDIPBXJLCVPMCA-UHFFFAOYSA-N -1 0 330.409 2.972 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(OC(F)F)ccc1Br ZINC001573321375 969807320 /nfs/dbraw/zinc/80/73/20/969807320.db2.gz WHBNPZOGJBGLLV-UHFFFAOYSA-N -1 0 348.143 2.570 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001609691226 970447075 /nfs/dbraw/zinc/44/70/75/970447075.db2.gz DPHGUCKFVAJCFM-CQSZACIVSA-N -1 0 343.166 2.723 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC001609691533 970449019 /nfs/dbraw/zinc/44/90/19/970449019.db2.gz UCRCUHOLGRBCNV-NRAUKZCXSA-N -1 0 338.766 2.788 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320552318 970678164 /nfs/dbraw/zinc/67/81/64/970678164.db2.gz UORSAXVHNLZCGZ-UHFFFAOYSA-N -1 0 333.356 2.544 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001605179761 972896017 /nfs/dbraw/zinc/89/60/17/972896017.db2.gz SKSGMXZBGOXAJU-UHFFFAOYSA-N -1 0 342.326 2.768 20 30 EFEDRM Cc1cc(F)ccc1C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC001605179671 972896046 /nfs/dbraw/zinc/89/60/46/972896046.db2.gz RQCIBSREBYWBJU-SFHVURJKSA-N -1 0 332.375 2.845 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001605244936 973009385 /nfs/dbraw/zinc/00/93/85/973009385.db2.gz RYUPWDPLFONABN-QGZVFWFLSA-N -1 0 348.362 2.525 20 30 EFEDRM Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001605273600 973063233 /nfs/dbraw/zinc/06/32/33/973063233.db2.gz MVDFJTYRDIJVBD-ZWKOTPCHSA-N -1 0 349.390 2.979 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC001604461934 973308220 /nfs/dbraw/zinc/30/82/20/973308220.db2.gz NBARQNSBEQXKIO-GLSBUQGYSA-N -1 0 336.413 2.734 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001603520120 973546365 /nfs/dbraw/zinc/54/63/65/973546365.db2.gz OGBPTVGRPGGKNY-UHFFFAOYSA-N -1 0 344.411 2.819 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001603593206 973799469 /nfs/dbraw/zinc/79/94/69/973799469.db2.gz DBGCDGCSAMHISQ-AHKGRUIUSA-N -1 0 333.359 2.511 20 30 EFEDRM N#C[C@H](C(=O)c1cccc(OCC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001605575576 973838941 /nfs/dbraw/zinc/83/89/41/973838941.db2.gz ABVKIZAENHTQEN-CYBMUJFWSA-N -1 0 335.319 2.516 20 30 EFEDRM N#CC1(CCC[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001605577134 973855842 /nfs/dbraw/zinc/85/58/42/973855842.db2.gz XOEUNMUBCSOKCO-KRWDZBQOSA-N -1 0 328.412 2.771 20 30 EFEDRM N#C[C@@H](COC(=O)CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001605577302 973857053 /nfs/dbraw/zinc/85/70/53/973857053.db2.gz ZHQNGDRNWGYBGI-NSHDSACASA-N -1 0 340.173 2.539 20 30 EFEDRM N#C[C@H](COC(=O)CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001605577294 973857349 /nfs/dbraw/zinc/85/73/49/973857349.db2.gz ZHQNGDRNWGYBGI-LLVKDONJSA-N -1 0 340.173 2.539 20 30 EFEDRM N#CCCCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001605582069 973864036 /nfs/dbraw/zinc/86/40/36/973864036.db2.gz STRARRQPJUDPET-UHFFFAOYSA-N -1 0 329.400 2.968 20 30 EFEDRM N#CCCc1ccc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC001605586059 973878720 /nfs/dbraw/zinc/87/87/20/973878720.db2.gz PHYYPKYAONPBCP-UHFFFAOYSA-N -1 0 345.376 2.538 20 30 EFEDRM N#CCCc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001605585908 973879179 /nfs/dbraw/zinc/87/91/79/973879179.db2.gz LSOGTKLFRSVKMQ-QGZVFWFLSA-N -1 0 337.379 2.960 20 30 EFEDRM N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001605590970 973886229 /nfs/dbraw/zinc/88/62/29/973886229.db2.gz QHGPNRWVRVUORJ-LSDHHAIUSA-N -1 0 349.228 2.863 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001605591305 973887575 /nfs/dbraw/zinc/88/75/75/973887575.db2.gz XCJJQYQKUSFMKP-UHFFFAOYSA-N -1 0 340.310 2.646 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601586 973906472 /nfs/dbraw/zinc/90/64/72/973906472.db2.gz VHCXGTJFUXJTRR-HUUCEWRRSA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001605602298 973913536 /nfs/dbraw/zinc/91/35/36/973913536.db2.gz YLCLYQYLFWPVCX-MRXNPFEDSA-N -1 0 333.347 2.506 20 30 EFEDRM N#Cc1ccsc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605623022 973947269 /nfs/dbraw/zinc/94/72/69/973947269.db2.gz PNLZIIUVXVJBAP-UONOGXRCSA-N -1 0 326.377 2.560 20 30 EFEDRM CCCN(CC(=O)[O-])[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001603666592 974037132 /nfs/dbraw/zinc/03/71/32/974037132.db2.gz HODOHODMYKMWRJ-INIZCTEOSA-N -1 0 345.443 2.735 20 30 EFEDRM O=C([O-])C1CCN(c2ccc(/C=C\C(=O)c3cncs3)o2)CC1 ZINC001605668090 974070098 /nfs/dbraw/zinc/07/00/98/974070098.db2.gz NVMRADRVMTYSAZ-IWQZZHSRSA-N -1 0 332.381 2.933 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604008186 974516389 /nfs/dbraw/zinc/51/63/89/974516389.db2.gz LPROONPCQMCFDZ-OAHLLOKOSA-N -1 0 340.383 2.757 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001604023874 974536747 /nfs/dbraw/zinc/53/67/47/974536747.db2.gz BDPRBPNFPTYRKS-KHYOSLBOSA-N -1 0 344.411 2.695 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC001604025398 974550219 /nfs/dbraw/zinc/55/02/19/974550219.db2.gz VIJYZAMAABFMSL-SUMWQHHRSA-N -1 0 338.354 2.716 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001591758448 975835842 /nfs/dbraw/zinc/83/58/42/975835842.db2.gz FTMBWIBHQMQOTD-CYBMUJFWSA-N -1 0 329.356 2.640 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001591758449 975836028 /nfs/dbraw/zinc/83/60/28/975836028.db2.gz FTMBWIBHQMQOTD-ZDUSSCGKSA-N -1 0 329.356 2.640 20 30 EFEDRM CC(C)c1ccccc1[C@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)C1CC1 ZINC001591995102 976639263 /nfs/dbraw/zinc/63/92/63/976639263.db2.gz SEORGUYXBAMCRF-CQSZACIVSA-N -1 0 344.436 2.647 20 30 EFEDRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N(CC#N)CC(=O)[O-] ZINC001592106121 976882355 /nfs/dbraw/zinc/88/23/55/976882355.db2.gz NPRPTHZBTPUPRB-UHFFFAOYSA-N -1 0 327.340 2.515 20 30 EFEDRM CC(C)c1sc(NC(=O)COc2cccc(C#N)c2)nc1C(=O)[O-] ZINC001592111686 976902388 /nfs/dbraw/zinc/90/23/88/976902388.db2.gz KGVAPSQZEQLHLP-UHFFFAOYSA-N -1 0 345.380 2.854 20 30 EFEDRM C[C@@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001592212444 977268676 /nfs/dbraw/zinc/26/86/76/977268676.db2.gz RULRCIHRRCORQT-OIBJUYFYSA-N -1 0 345.218 2.644 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001592221302 977397418 /nfs/dbraw/zinc/39/74/18/977397418.db2.gz BBEQLOZCHSMKEB-QMMMGPOBSA-N -1 0 345.277 2.750 20 30 EFEDRM C[C@H](CC#N)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001592221845 977402956 /nfs/dbraw/zinc/40/29/56/977402956.db2.gz NYTAIINTHWQLLV-BXKDBHETSA-N -1 0 329.274 2.794 20 30 EFEDRM C[C@H](CC#N)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592222328 977405880 /nfs/dbraw/zinc/40/58/80/977405880.db2.gz UYQULUUMZMGCTI-SSDOTTSWSA-N -1 0 330.171 2.522 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccncc1 ZINC001592299158 977651155 /nfs/dbraw/zinc/65/11/55/977651155.db2.gz ZOBVMSUMYBYAEK-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000736114248 978303529 /nfs/dbraw/zinc/30/35/29/978303529.db2.gz QGKCFUZGTIHWAZ-UHFFFAOYSA-N -1 0 347.396 2.763 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000738168139 978493447 /nfs/dbraw/zinc/49/34/47/978493447.db2.gz IIPKRHFTYYUEDL-JTQLQIEISA-N -1 0 342.351 2.826 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N(CC(=O)[O-])C3CC3)c2)cc1 ZINC000738430581 978537089 /nfs/dbraw/zinc/53/70/89/978537089.db2.gz IBSWYUBUXADIPC-UHFFFAOYSA-N -1 0 335.363 2.991 20 30 EFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(O)cc(C#N)c1)C(=O)[O-] ZINC001592604832 978547747 /nfs/dbraw/zinc/54/77/47/978547747.db2.gz DUKXIKKNEFXYAB-ZDUSSCGKSA-N -1 0 338.363 2.627 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000739088455 978616694 /nfs/dbraw/zinc/61/66/94/978616694.db2.gz REYUOKZFQAQKOO-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000781959440 978791676 /nfs/dbraw/zinc/79/16/76/978791676.db2.gz ZUVGBZYHNRTBIG-SNVBAGLBSA-N -1 0 329.805 2.767 20 30 EFEDRM COC(=O)COc1ccccc1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000783816143 978793937 /nfs/dbraw/zinc/79/39/37/978793937.db2.gz KWSKOCTWDDNCOM-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM O=C([O-])Cn1cc(C=NNCc2cccc(F)c2)c2ccccc21 ZINC000799875475 978843523 /nfs/dbraw/zinc/84/35/23/978843523.db2.gz DEOGHGSRAIWOEQ-UHFFFAOYSA-N -1 0 325.343 2.989 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000806565341 978850236 /nfs/dbraw/zinc/85/02/36/978850236.db2.gz KYPXHSAIOAMJHV-UHFFFAOYSA-N -1 0 335.356 2.516 20 30 EFEDRM C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1CC(=O)[O-] ZINC000814684828 978871579 /nfs/dbraw/zinc/87/15/79/978871579.db2.gz INCSJOMXGADHPW-BDAKNGLRSA-N -1 0 336.304 2.792 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814721454 978877010 /nfs/dbraw/zinc/87/70/10/978877010.db2.gz FEGMKOJWVSDBQJ-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM C[C@@H]1CCC[C@H](NC(=S)NN=C2CCC(C(=O)[O-])CC2)[C@H]1C ZINC000814758881 978881932 /nfs/dbraw/zinc/88/19/32/978881932.db2.gz KILJYIINWZMJOG-SOIPSNBUSA-N -1 0 325.478 2.906 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814831993 978889850 /nfs/dbraw/zinc/88/98/50/978889850.db2.gz ZRZHBHMHKAWPMI-YPMHNXCESA-N -1 0 329.425 2.831 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818625534 978920891 /nfs/dbraw/zinc/92/08/91/978920891.db2.gz ZKWBRUNUXFZJGM-MRXNPFEDSA-N -1 0 330.428 2.811 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(C(=O)[O-])cc1 ZINC000825808812 978941710 /nfs/dbraw/zinc/94/17/10/978941710.db2.gz DYKWYBPGOJYDHA-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000826528326 978946019 /nfs/dbraw/zinc/94/60/19/978946019.db2.gz WJOSDXAJOIPZIS-UHFFFAOYSA-N -1 0 330.319 2.599 20 30 EFEDRM CC[C@H](CC#N)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595029803 979161219 /nfs/dbraw/zinc/16/12/19/979161219.db2.gz GNRGRPZUASHLCB-SECBINFHSA-N -1 0 325.752 2.617 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1n1cccn1 ZINC000835009122 979244169 /nfs/dbraw/zinc/24/41/69/979244169.db2.gz OCMVXNPRPWYIKP-HUUCEWRRSA-N -1 0 332.335 2.538 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC001595056880 979294375 /nfs/dbraw/zinc/29/43/75/979294375.db2.gz IZNMHXCIKPCKFA-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM CCC(CC)(CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(F)(F)F ZINC001595068650 979333580 /nfs/dbraw/zinc/33/35/80/979333580.db2.gz MXKYTMZASXLNTE-UHFFFAOYSA-N -1 0 349.353 2.755 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1cc(OC)c(C#N)cc1F)C(=O)[O-] ZINC001595071295 979341472 /nfs/dbraw/zinc/34/14/72/979341472.db2.gz QTQCPLRYXHPIPJ-UHFFFAOYSA-N -1 0 337.351 2.718 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2ccc(CC(=O)[O-])cc2)cs1 ZINC000848414869 979468360 /nfs/dbraw/zinc/46/83/60/979468360.db2.gz FILDEOSFDXLDJQ-UHFFFAOYSA-N -1 0 346.412 2.589 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000849249135 979490438 /nfs/dbraw/zinc/49/04/38/979490438.db2.gz FOONUZOSFMXNMU-ALCCZGGFSA-N -1 0 346.358 2.880 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000849331772 979491566 /nfs/dbraw/zinc/49/15/66/979491566.db2.gz CJZIWZBOPKBRJA-NSHDSACASA-N -1 0 327.377 2.501 20 30 EFEDRM C[C@H](CSCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592825061 979539721 /nfs/dbraw/zinc/53/97/21/979539721.db2.gz BIAPKWUVEIDNQO-CQSZACIVSA-N -1 0 346.452 2.773 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000851618589 979544461 /nfs/dbraw/zinc/54/44/61/979544461.db2.gz LRBMVGNSBFMIDC-FGTMMUONSA-N -1 0 341.407 2.804 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592833093 979568033 /nfs/dbraw/zinc/56/80/33/979568033.db2.gz ATAXLXCZWZSDRP-WIBUTAKZSA-N -1 0 340.423 2.840 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001592833308 979569584 /nfs/dbraw/zinc/56/95/84/979569584.db2.gz FELGZBLNBURUNM-KUHUBIRLSA-N -1 0 348.402 2.775 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592833358 979570646 /nfs/dbraw/zinc/57/06/46/979570646.db2.gz GNFDYOFLDRLKMJ-KDOFPFPSSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001592833648 979571748 /nfs/dbraw/zinc/57/17/48/979571748.db2.gz IFKFWOHSEIQQJL-KSSFIOAISA-N -1 0 336.391 2.721 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592834825 979580385 /nfs/dbraw/zinc/58/03/85/979580385.db2.gz YEQCAXXKAFIVJA-GUYCJALGSA-N -1 0 328.412 2.887 20 30 EFEDRM CC[C@](CNC(=O)Cc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595145539 979614273 /nfs/dbraw/zinc/61/42/73/979614273.db2.gz MFJQLQVBAFWEPM-HXUWFJFHSA-N -1 0 336.391 2.650 20 30 EFEDRM CC[C@](CNC(=O)N1CCC[C@](C)(C#N)C1)(C(=O)[O-])c1ccccc1 ZINC001595148256 979631635 /nfs/dbraw/zinc/63/16/35/979631635.db2.gz YOCJNGPDKJLZOR-RTBURBONSA-N -1 0 343.427 2.754 20 30 EFEDRM CC[C@@](CNC(=O)N1CCC[C@](C)(C#N)C1)(C(=O)[O-])c1ccccc1 ZINC001595148251 979631732 /nfs/dbraw/zinc/63/17/32/979631732.db2.gz YOCJNGPDKJLZOR-MOPGFXCFSA-N -1 0 343.427 2.754 20 30 EFEDRM CC[C@@](CNC(=O)c1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001595166705 979715779 /nfs/dbraw/zinc/71/57/79/979715779.db2.gz XDSVJKGPKREEFT-KRWDZBQOSA-N -1 0 328.393 2.782 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864145582 979750439 /nfs/dbraw/zinc/75/04/39/979750439.db2.gz JWRUYAMNKNKIAR-KRWDZBQOSA-N -1 0 345.370 2.684 20 30 EFEDRM CC[C@@H](COC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001595181031 979793743 /nfs/dbraw/zinc/79/37/43/979793743.db2.gz BWBIVHPDPXMYMF-LBPRGKRZSA-N -1 0 343.335 2.998 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)C(F)(F)c1ccccc1OCC)C(=O)[O-] ZINC000864186999 979832420 /nfs/dbraw/zinc/83/24/20/979832420.db2.gz BMHASTDTWHDVNK-GFCCVEGCSA-N -1 0 327.327 2.713 20 30 EFEDRM CC1(C)Sc2ccccc2C(=O)/C1=C\c1cn(CC(=O)[O-])nn1 ZINC000871670937 979966689 /nfs/dbraw/zinc/96/66/89/979966689.db2.gz GJISXKAWWDASBM-KPKJPENVSA-N -1 0 329.381 2.513 20 30 EFEDRM C[C@H]1C(N=Nc2cc(Br)ncn2)CC[C@H]1CC(=O)[O-] ZINC000872437032 980075166 /nfs/dbraw/zinc/07/51/66/980075166.db2.gz YULWZXWTUDMWSL-SFYZADRCSA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)(C(=O)[O-])C1CC1 ZINC001592997833 980205820 /nfs/dbraw/zinc/20/58/20/980205820.db2.gz FNRXHDCFUAYVNV-GOSISDBHSA-N -1 0 326.396 2.740 20 30 EFEDRM N#Cc1c(Br)cccc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000900399934 980251739 /nfs/dbraw/zinc/25/17/39/980251739.db2.gz JHDBLJSLUFOCJI-NWDGAFQWSA-N -1 0 335.201 2.868 20 30 EFEDRM CC(C)C[C@H](CNc1cc(C#N)c(Br)cn1)C(=O)[O-] ZINC000900960972 980253617 /nfs/dbraw/zinc/25/36/17/980253617.db2.gz FGVBUKJVYUZZIE-SNVBAGLBSA-N -1 0 326.194 2.875 20 30 EFEDRM C[C@@](NC(=O)CCCC#N)(C(=O)[O-])c1cccc(Br)c1 ZINC001593015182 980260781 /nfs/dbraw/zinc/26/07/81/980260781.db2.gz IFVPAAHOIHYULR-AWEZNQCLSA-N -1 0 339.189 2.559 20 30 EFEDRM CC[C@@](NC(=O)c1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595263910 980269259 /nfs/dbraw/zinc/26/92/59/980269259.db2.gz SSYIOIQEOSSXAT-SFHVURJKSA-N -1 0 326.327 2.817 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)c(OC)c1)(C(=O)[O-])c1ccccc1 ZINC001595265744 980276517 /nfs/dbraw/zinc/27/65/17/980276517.db2.gz BDVCBGSWWLGGEZ-IBGZPJMESA-N -1 0 338.363 2.687 20 30 EFEDRM C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593039546 980318738 /nfs/dbraw/zinc/31/87/38/980318738.db2.gz BHIBFKJHUILIDO-KBXCAEBGSA-N -1 0 336.391 2.549 20 30 EFEDRM CN(C)c1ncc(/C=C2/CCCc3cc(C(=O)[O-])ccc3C2=O)n1C ZINC000901527903 980354960 /nfs/dbraw/zinc/35/49/60/980354960.db2.gz VRBFPXZNVOPJTH-RAXLEYEMSA-N -1 0 339.395 2.787 20 30 EFEDRM CC[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1c(C)nn(C)c1C ZINC001595300216 980434295 /nfs/dbraw/zinc/43/42/95/980434295.db2.gz OWMSIWNISDWPHJ-INIZCTEOSA-N -1 0 326.400 2.848 20 30 EFEDRM C=CCOC[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000901808256 980529325 /nfs/dbraw/zinc/52/93/25/980529325.db2.gz BVEPISMEKSOESL-CQSZACIVSA-N -1 0 336.388 2.695 20 30 EFEDRM C=CCOC[C@H](NCc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000901809680 980530731 /nfs/dbraw/zinc/53/07/31/980530731.db2.gz FYJOEEHMTLJFFH-HNNXBMFYSA-N -1 0 332.425 2.864 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1(C#N)CCOCC1 ZINC001595361863 980765921 /nfs/dbraw/zinc/76/59/21/980765921.db2.gz QHXOCSBQMCVOSH-MRXNPFEDSA-N -1 0 344.411 2.761 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C#N)nc1 ZINC001595362013 980767098 /nfs/dbraw/zinc/76/70/98/980767098.db2.gz UCOHCEUYZSDYFY-QGZVFWFLSA-N -1 0 337.379 2.560 20 30 EFEDRM C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000902175793 980768975 /nfs/dbraw/zinc/76/89/75/980768975.db2.gz FSUODYHCBWICHU-WMLDXEAASA-N -1 0 340.423 2.939 20 30 EFEDRM CCC1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC(F)(F)CC1 ZINC001595365441 980804713 /nfs/dbraw/zinc/80/47/13/980804713.db2.gz UWFCIDPNJUJLGY-UHFFFAOYSA-N -1 0 328.359 2.809 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000903059052 980958117 /nfs/dbraw/zinc/95/81/17/980958117.db2.gz LLVPTWORLWAZHN-CYBMUJFWSA-N -1 0 331.821 2.569 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC000903554023 980975606 /nfs/dbraw/zinc/97/56/06/980975606.db2.gz HFAIQCSMVIHMFW-UHFFFAOYSA-N -1 0 341.429 2.508 20 30 EFEDRM CC[C@@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001595413187 981013112 /nfs/dbraw/zinc/01/31/12/981013112.db2.gz JIEDHVGKTUFWTF-TZMCWYRMSA-N -1 0 331.368 2.895 20 30 EFEDRM CCC1CCC(NC(=O)c2ncc(C#N)cc2Cl)(C(=O)[O-])CC1 ZINC001595425132 981044755 /nfs/dbraw/zinc/04/47/55/981044755.db2.gz FQAHXWSPSHWQQD-UHFFFAOYSA-N -1 0 335.791 2.760 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000905075746 981088789 /nfs/dbraw/zinc/08/87/89/981088789.db2.gz ZGDLXANZOIAYOJ-PGJNLMOESA-N -1 0 340.379 2.967 20 30 EFEDRM CC/C=C\[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001595513548 981305308 /nfs/dbraw/zinc/30/53/08/981305308.db2.gz DJUWSGBQTVYLSH-XOULXFPDSA-N -1 0 328.246 2.548 20 30 EFEDRM CCC[C@](C)(NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(=O)[O-] ZINC001595546439 981411214 /nfs/dbraw/zinc/41/12/14/981411214.db2.gz CHDTYOMARQETJZ-KRWDZBQOSA-N -1 0 349.456 2.730 20 30 EFEDRM CCC[C@@](C)(NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001595552875 981425085 /nfs/dbraw/zinc/42/50/85/981425085.db2.gz ASSCAVFGYNUAAF-CQSZACIVSA-N -1 0 339.189 2.694 20 30 EFEDRM CCC[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595622976 981715649 /nfs/dbraw/zinc/71/56/49/981715649.db2.gz ZBAPYBFJXFALKO-LSDHHAIUSA-N -1 0 335.448 2.993 20 30 EFEDRM CC[C@](C)(C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594777622 981769190 /nfs/dbraw/zinc/76/91/90/981769190.db2.gz CDRWAASOWLGKJD-CYBMUJFWSA-N -1 0 325.162 2.569 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC001594782438 981790484 /nfs/dbraw/zinc/79/04/84/981790484.db2.gz PNLFXJMQXAEEOW-BFUOFWGJSA-N -1 0 344.411 2.817 20 30 EFEDRM CCCC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001595636373 981916696 /nfs/dbraw/zinc/91/66/96/981916696.db2.gz PCAKGINIYKJCMN-CYBMUJFWSA-N -1 0 327.340 2.586 20 30 EFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCCOc1cccc(C#N)c1 ZINC001594819227 981964257 /nfs/dbraw/zinc/96/42/57/981964257.db2.gz VREWRLQFEBFUMK-SFHVURJKSA-N -1 0 332.400 2.867 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595651962 982028880 /nfs/dbraw/zinc/02/88/80/982028880.db2.gz NDVRHYCHTPAIHK-GHMZBOCLSA-N -1 0 341.433 2.990 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595652216 982031537 /nfs/dbraw/zinc/03/15/37/982031537.db2.gz QGVOGAXBISRNHB-NSHDSACASA-N -1 0 339.392 2.695 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001595652364 982033571 /nfs/dbraw/zinc/03/35/71/982033571.db2.gz SSCKBSUJMIIEHF-CABCVRRESA-N -1 0 335.404 2.685 20 30 EFEDRM CC[C@](C)(O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594854346 982122170 /nfs/dbraw/zinc/12/21/70/982122170.db2.gz XMIHRYACPOLHJY-FQEVSTJZSA-N -1 0 337.375 2.884 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594883935 982257762 /nfs/dbraw/zinc/25/77/62/982257762.db2.gz DSFORUGTENWMJV-YGRLFVJLSA-N -1 0 327.302 2.672 20 30 EFEDRM CCCCCCCS(=O)(=O)Oc1ccc(C(=O)[O-])cc1C=O ZINC001595709104 982290327 /nfs/dbraw/zinc/29/03/27/982290327.db2.gz UFHGHRIEMLZVDZ-UHFFFAOYSA-N -1 0 328.386 2.876 20 30 EFEDRM COc1ccccc1C[C@@H](CNC(=O)C1(C#N)CCCCC1)C(=O)[O-] ZINC000923072115 982706867 /nfs/dbraw/zinc/70/68/67/982706867.db2.gz DLWBRTBFCWZRID-HNNXBMFYSA-N -1 0 344.411 2.529 20 30 EFEDRM COCc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)cc(C(=O)[O-])c1 ZINC000923081268 982711637 /nfs/dbraw/zinc/71/16/37/982711637.db2.gz RDGAIIRDEFDDPA-GOSISDBHSA-N -1 0 328.368 2.944 20 30 EFEDRM CC[C@@](CNC(=O)C1(C#N)CC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000923080482 982711716 /nfs/dbraw/zinc/71/17/16/982711716.db2.gz MANCDLNMYHUBIK-IBGZPJMESA-N -1 0 326.396 2.619 20 30 EFEDRM N#C[C@]1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC12CCCC2 ZINC000923084673 982714100 /nfs/dbraw/zinc/71/41/00/982714100.db2.gz ZYFWJNVJUODFRA-QINHECLXSA-N -1 0 338.407 2.787 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001595885870 982910872 /nfs/dbraw/zinc/91/08/72/982910872.db2.gz KDYMQFPPRWIGAR-UHFFFAOYSA-N -1 0 337.379 2.633 20 30 EFEDRM C#CC[C@@H](NC(=O)c1sc(-c2ccc(F)c(C)c2)nc1C)C(=O)[O-] ZINC001573303731 983040040 /nfs/dbraw/zinc/04/00/40/983040040.db2.gz RGLMKRYHZKILEZ-CYBMUJFWSA-N -1 0 346.383 2.772 20 30 EFEDRM CCCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595973989 983197400 /nfs/dbraw/zinc/19/74/00/983197400.db2.gz GSTCGLLDIWIHTC-MRXNPFEDSA-N -1 0 340.335 2.725 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588367451 983299277 /nfs/dbraw/zinc/29/92/77/983299277.db2.gz UIWNBXWCSKHPRQ-UHFFFAOYSA-N -1 0 329.400 2.908 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588367961 983302979 /nfs/dbraw/zinc/30/29/79/983302979.db2.gz DWUURGGJBIAMRD-ZETCQYMHSA-N -1 0 343.152 2.772 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588368231 983304449 /nfs/dbraw/zinc/30/44/49/983304449.db2.gz IRJKUNMAAYYLGX-SSDOTTSWSA-N -1 0 343.152 2.772 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001588368650 983307238 /nfs/dbraw/zinc/30/72/38/983307238.db2.gz PXNWEKZLRRDBAA-QMMMGPOBSA-N -1 0 325.162 2.633 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588369268 983312313 /nfs/dbraw/zinc/31/23/13/983312313.db2.gz HIFWWUDXKCVJDX-CYBMUJFWSA-N -1 0 339.395 2.736 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588369431 983314149 /nfs/dbraw/zinc/31/41/49/983314149.db2.gz LTUMVMAAAWFXFT-AWEZNQCLSA-N -1 0 328.368 2.775 20 30 EFEDRM C#C[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001588371982 983326499 /nfs/dbraw/zinc/32/64/99/983326499.db2.gz BDKBSIISBUOBBV-ZWNOBZJWSA-N -1 0 338.201 2.741 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588372221 983329277 /nfs/dbraw/zinc/32/92/77/983329277.db2.gz FXLMJMGRZYSHBF-OTWHNJEPSA-N -1 0 348.402 2.871 20 30 EFEDRM C#C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC001588373045 983335964 /nfs/dbraw/zinc/33/59/64/983335964.db2.gz YVGXZYVQMKDEDJ-FUHIMQAGSA-N -1 0 337.350 2.875 20 30 EFEDRM C#C[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588373033 983336354 /nfs/dbraw/zinc/33/63/54/983336354.db2.gz YODLAZQMDHOAFF-PFMWSLTASA-N -1 0 338.766 2.706 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC001588373021 983336382 /nfs/dbraw/zinc/33/63/82/983336382.db2.gz YGMRXBISBMYJEC-OAHLLOKOSA-N -1 0 339.395 2.592 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@H]1CCCO1 ZINC001588373118 983336753 /nfs/dbraw/zinc/33/67/53/983336753.db2.gz ADNBKVOOQKZTKK-HUUCEWRRSA-N -1 0 348.424 2.556 20 30 EFEDRM C#C[C@H](NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(C)(C)C ZINC001588373527 983338549 /nfs/dbraw/zinc/33/85/49/983338549.db2.gz GSMIPVKDSVTNRI-SKDRFNHKSA-N -1 0 335.429 2.502 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588374314 983343241 /nfs/dbraw/zinc/34/32/41/983343241.db2.gz UFUXKZQDIXUNDS-KRWDZBQOSA-N -1 0 340.354 2.627 20 30 EFEDRM C#CC1CCC(c2nnc(N3CCC[C@@H](CCC(=O)[O-])C3)n2C)CC1 ZINC001588382383 983370905 /nfs/dbraw/zinc/37/09/05/983370905.db2.gz OCGFBDONQCOZSU-PCKAHOCUSA-N -1 0 344.459 2.803 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(=C)C ZINC001588389952 983390030 /nfs/dbraw/zinc/39/00/30/983390030.db2.gz GRJGBDKOBUEBDZ-QLFBSQMISA-N -1 0 330.432 2.528 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001588394537 983402948 /nfs/dbraw/zinc/40/29/48/983402948.db2.gz NNASKTZVBOWZSR-CYBMUJFWSA-N -1 0 348.399 2.722 20 30 EFEDRM C#CC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588398084 983410484 /nfs/dbraw/zinc/41/04/84/983410484.db2.gz CLHZGJGQSQGJON-SECBINFHSA-N -1 0 336.121 2.678 20 30 EFEDRM C#CC[C@H](NC(=O)/C(C)=C\c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588398537 983413101 /nfs/dbraw/zinc/41/31/01/983413101.db2.gz KZONLVMKWVANLB-XPSMFNQNSA-N -1 0 341.285 2.581 20 30 EFEDRM C#CC[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC001588399314 983415234 /nfs/dbraw/zinc/41/52/34/983415234.db2.gz TZCAHPBUTMGJFR-NSHDSACASA-N -1 0 326.179 2.618 20 30 EFEDRM C#CC[C@@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588399964 983417421 /nfs/dbraw/zinc/41/74/21/983417421.db2.gz ZPDKBMMAUMWJRJ-NXIHDVOMSA-N -1 0 329.249 2.609 20 30 EFEDRM C#CC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588407376 983428253 /nfs/dbraw/zinc/42/82/53/983428253.db2.gz HDNWLJCROLLWFA-HHARLNAUSA-N -1 0 326.396 2.550 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001588414105 983432897 /nfs/dbraw/zinc/43/28/97/983432897.db2.gz OAFYUHXURBDTPL-CQSZACIVSA-N -1 0 329.377 2.533 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588415660 983435625 /nfs/dbraw/zinc/43/56/25/983435625.db2.gz CXHYJJFOFNDVTJ-OAHLLOKOSA-N -1 0 328.755 2.608 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccccc1Nc1ccccc1OC)C(=O)[O-] ZINC001588417212 983439117 /nfs/dbraw/zinc/43/91/17/983439117.db2.gz ZYRGXCNPFVLXPJ-MRXNPFEDSA-N -1 0 338.363 2.645 20 30 EFEDRM C#CC[C@@H](NC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588421920 983443476 /nfs/dbraw/zinc/44/34/76/983443476.db2.gz PZQHFLQUQDVTFV-GFCCVEGCSA-N -1 0 348.811 2.594 20 30 EFEDRM C#CCC1(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001588427777 983457961 /nfs/dbraw/zinc/45/79/61/983457961.db2.gz LOJJNAKAKQZJKK-UHFFFAOYSA-N -1 0 335.425 2.530 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CCC1 ZINC001588431687 983465452 /nfs/dbraw/zinc/46/54/52/983465452.db2.gz LVRWEHAYOYYHAQ-UHFFFAOYSA-N -1 0 343.404 2.762 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001588434024 983469066 /nfs/dbraw/zinc/46/90/66/983469066.db2.gz FRORWRSACGBJTQ-SNVBAGLBSA-N -1 0 338.310 2.863 20 30 EFEDRM C#CC[C@@H]1CCN(S(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)C1 ZINC001588434679 983471740 /nfs/dbraw/zinc/47/17/40/983471740.db2.gz QBWGUOXAISOIRF-CYBMUJFWSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588434900 983473249 /nfs/dbraw/zinc/47/32/49/983473249.db2.gz XNQYCHHZVDQGID-NWDGAFQWSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588435252 983475462 /nfs/dbraw/zinc/47/54/62/983475462.db2.gz IGTILGQRYUWHAC-LBPRGKRZSA-N -1 0 344.230 2.898 20 30 EFEDRM C#CCCOc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001588455070 983478262 /nfs/dbraw/zinc/47/82/62/983478262.db2.gz BQGFUPRPHJKRLT-UHFFFAOYSA-N -1 0 341.363 2.961 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001588455129 983478702 /nfs/dbraw/zinc/47/87/02/983478702.db2.gz DQYVQWFBYFAVBJ-LJQANCHMSA-N -1 0 349.386 2.913 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001588455391 983479533 /nfs/dbraw/zinc/47/95/33/983479533.db2.gz LYYMTBCFJZKXTP-OAHLLOKOSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001588455503 983479776 /nfs/dbraw/zinc/47/97/76/983479776.db2.gz OEVMMRVEXCXCDK-APWZRJJASA-N -1 0 327.380 2.558 20 30 EFEDRM C#CCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001588459610 983484811 /nfs/dbraw/zinc/48/48/11/983484811.db2.gz DPMMMYUADKWORN-AEFFLSMTSA-N -1 0 338.407 2.882 20 30 EFEDRM C#CCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001588459613 983485025 /nfs/dbraw/zinc/48/50/25/983485025.db2.gz DPMMMYUADKWORN-WMZOPIPTSA-N -1 0 338.407 2.882 20 30 EFEDRM C#CCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001588459612 983485030 /nfs/dbraw/zinc/48/50/30/983485030.db2.gz DPMMMYUADKWORN-SJLPKXTDSA-N -1 0 338.407 2.882 20 30 EFEDRM C#CCN(C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CSC1 ZINC001588460336 983488016 /nfs/dbraw/zinc/48/80/16/983488016.db2.gz YTHQRTJEELKYNN-UHFFFAOYSA-N -1 0 348.424 2.755 20 30 EFEDRM C#CCN(CC)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588468004 983500123 /nfs/dbraw/zinc/50/01/23/983500123.db2.gz KKBDJZLHRPGELP-GFCCVEGCSA-N -1 0 328.290 2.653 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001588469907 983503359 /nfs/dbraw/zinc/50/33/59/983503359.db2.gz TUCHGLZVIMZJSI-UHFFFAOYSA-N -1 0 326.352 2.631 20 30 EFEDRM CCN(C(=O)OC(C)(C)C)[C@H](C)CNc1ccc(C(=O)[O-])nc1C#N ZINC001596156253 983515357 /nfs/dbraw/zinc/51/53/57/983515357.db2.gz UNPWNODHWKMDII-LLVKDONJSA-N -1 0 348.403 2.709 20 30 EFEDRM CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596156811 983516723 /nfs/dbraw/zinc/51/67/23/983516723.db2.gz NNDPLYGZLSHEBP-RRQGHBQHSA-N -1 0 344.411 2.880 20 30 EFEDRM CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)(C)C(=O)[O-] ZINC001596161312 983524808 /nfs/dbraw/zinc/52/48/08/983524808.db2.gz RSMGLPYXKKFGFF-UHFFFAOYSA-N -1 0 327.340 2.539 20 30 EFEDRM C#CCO[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588490092 983530437 /nfs/dbraw/zinc/53/04/37/983530437.db2.gz HCWINPHACHITBF-NOZJJQNGSA-N -1 0 344.194 2.616 20 30 EFEDRM C#CCO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588490379 983532014 /nfs/dbraw/zinc/53/20/14/983532014.db2.gz MAHFHZAEMCHOLJ-PRHODGIISA-N -1 0 331.151 2.701 20 30 EFEDRM C#CCOc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001588497393 983538553 /nfs/dbraw/zinc/53/85/53/983538553.db2.gz BZOIHMSTSGEQHP-UHFFFAOYSA-N -1 0 338.363 2.647 20 30 EFEDRM C#CCOc1cccc(Cl)c1CNc1cccc(CC(=O)[O-])n1 ZINC001588497783 983541076 /nfs/dbraw/zinc/54/10/76/983541076.db2.gz BKZBLIAACPWADM-UHFFFAOYSA-N -1 0 330.771 2.986 20 30 EFEDRM CCN(C(=O)c1ncc(C#N)cc1Cl)c1ccccc1C(=O)[O-] ZINC001596174884 983541538 /nfs/dbraw/zinc/54/15/38/983541538.db2.gz ODCBILLHMACAGS-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NC(CC)(CC)CC(=O)[O-] ZINC001588498016 983543022 /nfs/dbraw/zinc/54/30/22/983543022.db2.gz QMFAZKMZPPZPDD-UHFFFAOYSA-N -1 0 336.363 2.993 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2ccc(C)c(C(=O)[O-])c2)cs1 ZINC001596176529 983543276 /nfs/dbraw/zinc/54/32/76/983543276.db2.gz CNPOBUSWYIUOLN-UHFFFAOYSA-N -1 0 346.412 2.969 20 30 EFEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])n2C)c1 ZINC001588498110 983543303 /nfs/dbraw/zinc/54/33/03/983543303.db2.gz WPBWONODDVTSSJ-GFCCVEGCSA-N -1 0 327.336 2.653 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588498633 983543904 /nfs/dbraw/zinc/54/39/04/983543904.db2.gz AKSQRCOHKMQSJC-YPMHNXCESA-N -1 0 334.347 2.603 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588499113 983544953 /nfs/dbraw/zinc/54/49/53/983544953.db2.gz NOBGFIHNPHJXLA-UHFFFAOYSA-N -1 0 348.355 2.919 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001588504645 983548533 /nfs/dbraw/zinc/54/85/33/983548533.db2.gz HAFQWQMRUDVTNC-UHFFFAOYSA-N -1 0 330.384 2.855 20 30 EFEDRM C#CCSCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001588504656 983548564 /nfs/dbraw/zinc/54/85/64/983548564.db2.gz HNRLCBDCPZJLOW-OAHLLOKOSA-N -1 0 333.453 2.983 20 30 EFEDRM C#CCOc1ccccc1CNc1nnc(CCCC(=O)[O-])s1 ZINC001588504776 983548889 /nfs/dbraw/zinc/54/88/89/983548889.db2.gz KZBKWESYNFDSSQ-UHFFFAOYSA-N -1 0 331.397 2.570 20 30 EFEDRM C#CCSCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001588506119 983550666 /nfs/dbraw/zinc/55/06/66/983550666.db2.gz GOYYJOPGWSKXMY-OAHLLOKOSA-N -1 0 325.817 2.513 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001588509763 983553667 /nfs/dbraw/zinc/55/36/67/983553667.db2.gz MOCOPWLYEGJCGH-UHFFFAOYSA-N -1 0 331.803 2.890 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nc1 ZINC001588510628 983555993 /nfs/dbraw/zinc/55/59/93/983555993.db2.gz GDZSMGJFMLPPKX-AWEZNQCLSA-N -1 0 348.280 2.637 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)CC1 ZINC001588511405 983559474 /nfs/dbraw/zinc/55/94/74/983559474.db2.gz WUYRQJITEDNXMK-AULYBMBSSA-N -1 0 346.383 2.716 20 30 EFEDRM C#Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001588516246 983560444 /nfs/dbraw/zinc/56/04/44/983560444.db2.gz FBTGMPACHLSUES-UHFFFAOYSA-N -1 0 337.375 2.842 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001588516794 983562295 /nfs/dbraw/zinc/56/22/95/983562295.db2.gz CBGPNCMHMVJORM-UHFFFAOYSA-N -1 0 330.290 2.966 20 30 EFEDRM C#Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1 ZINC001588517484 983564842 /nfs/dbraw/zinc/56/48/42/983564842.db2.gz BVWKEIWEZIGLIL-QWHCGFSZSA-N -1 0 332.787 2.896 20 30 EFEDRM C#Cc1ccc(NC(=O)NCc2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC001588517741 983566551 /nfs/dbraw/zinc/56/65/51/983566551.db2.gz GYJZFHCCPGBZMG-UHFFFAOYSA-N -1 0 335.772 2.798 20 30 EFEDRM C#Cc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001588517948 983567434 /nfs/dbraw/zinc/56/74/34/983567434.db2.gz KBXXTNRSZLVEQY-CQSZACIVSA-N -1 0 326.274 2.539 20 30 EFEDRM C#Cc1cccc(NC(=O)NC(=O)CS[C@@H](CCCC)C(=O)[O-])c1 ZINC001588524230 983574167 /nfs/dbraw/zinc/57/41/67/983574167.db2.gz CWIGNEDSCQMHOA-AWEZNQCLSA-N -1 0 348.424 2.693 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001588524530 983575487 /nfs/dbraw/zinc/57/54/87/983575487.db2.gz MWBBPDRSRANOJN-SQNIBIBYSA-N -1 0 325.408 2.702 20 30 EFEDRM C#Cc1cccc(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC001588524894 983576612 /nfs/dbraw/zinc/57/66/12/983576612.db2.gz XVFWOCLZMKAFGT-UHFFFAOYSA-N -1 0 340.404 2.967 20 30 EFEDRM C#Cc1ccccc1CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001588528842 983578586 /nfs/dbraw/zinc/57/85/86/983578586.db2.gz JJPDPPIERMOQFG-IBGZPJMESA-N -1 0 335.403 2.579 20 30 EFEDRM C=C(Br)CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588529186 983580301 /nfs/dbraw/zinc/58/03/01/983580301.db2.gz RZDACNASWYVUGY-NWDGAFQWSA-N -1 0 346.171 2.973 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001588529416 983581345 /nfs/dbraw/zinc/58/13/45/983581345.db2.gz YQMADYYVCXXQQT-SFHVURJKSA-N -1 0 330.343 2.772 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588533895 983584795 /nfs/dbraw/zinc/58/47/95/983584795.db2.gz BVUCGGWOPHUWCO-HZPDHXFCSA-N -1 0 332.400 2.507 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001588534997 983587568 /nfs/dbraw/zinc/58/75/68/983587568.db2.gz DUWGOHSCDKOZAO-TVQRCGJNSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588536358 983593545 /nfs/dbraw/zinc/59/35/45/983593545.db2.gz ADODCKKMDVUHIA-OLZOCXBDSA-N -1 0 342.436 2.558 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001588536663 983595342 /nfs/dbraw/zinc/59/53/42/983595342.db2.gz TXZJRPHOYHAROC-RHSMWYFYSA-N -1 0 332.400 2.807 20 30 EFEDRM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C[C@H](C)C#N ZINC001596212901 983604359 /nfs/dbraw/zinc/60/43/59/983604359.db2.gz VNVBFSKLPXUPFY-LLVKDONJSA-N -1 0 349.456 2.745 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588542276 983608019 /nfs/dbraw/zinc/60/80/19/983608019.db2.gz FFJXECBJUMNGLQ-NSHDSACASA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588542953 983610389 /nfs/dbraw/zinc/61/03/89/983610389.db2.gz BFXYQMNFINOGJO-JTQLQIEISA-N -1 0 346.261 2.763 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588543193 983611044 /nfs/dbraw/zinc/61/10/44/983611044.db2.gz YCXZWKLRJCCVIL-BXUZGUMPSA-N -1 0 347.440 2.893 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(N(C)C)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001588546237 983614273 /nfs/dbraw/zinc/61/42/73/983614273.db2.gz BKXQKUDIYSQTCV-CYBMUJFWSA-N -1 0 344.333 2.921 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OC)cc1OCC(C)C)C(=O)[O-] ZINC001588546518 983615914 /nfs/dbraw/zinc/61/59/14/983615914.db2.gz MRFPRHJDYXCLFI-HNNXBMFYSA-N -1 0 335.400 2.879 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001588547285 983619074 /nfs/dbraw/zinc/61/90/74/983619074.db2.gz WNTJVLVVBJHULT-QMMMGPOBSA-N -1 0 336.697 2.903 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1C)C(=O)[O-] ZINC001588548264 983623630 /nfs/dbraw/zinc/62/36/30/983623630.db2.gz PDCMPUPCKRKWGU-OAHLLOKOSA-N -1 0 325.368 2.601 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1scc(C)c1Br)C(=O)[O-] ZINC001588548666 983624877 /nfs/dbraw/zinc/62/48/77/983624877.db2.gz WIXZSMGCMZXTSX-MRVPVSSYSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc2nc(CC)c(CC)nc2c1)C(=O)[O-] ZINC001588549076 983626410 /nfs/dbraw/zinc/62/64/10/983626410.db2.gz XAHBXUCUNRATSN-QGZVFWFLSA-N -1 0 341.411 2.904 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-] ZINC001588553037 983627418 /nfs/dbraw/zinc/62/74/18/983627418.db2.gz GGLNJUYZFRREGX-KTRBRXNASA-N -1 0 329.805 2.650 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc([C@H](C)CC)cc1)C(=O)[O-] ZINC001588555781 983637419 /nfs/dbraw/zinc/63/74/19/983637419.db2.gz RXAVALXJBZCYHF-IUODEOHRSA-N -1 0 325.430 2.898 20 30 EFEDRM C=C(C)CCNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588559667 983640321 /nfs/dbraw/zinc/64/03/21/983640321.db2.gz QKXHWKJGSFUAPQ-UONOGXRCSA-N -1 0 338.354 2.741 20 30 EFEDRM C=C(C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001588559889 983640612 /nfs/dbraw/zinc/64/06/12/983640612.db2.gz UWQKDXDVEFSMHH-UHFFFAOYSA-N -1 0 328.372 2.967 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588561671 983642923 /nfs/dbraw/zinc/64/29/23/983642923.db2.gz UOFSJSRCUHQXHE-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM C=C(C)CN(CC)C(=O)COc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001588562740 983643768 /nfs/dbraw/zinc/64/37/68/983643768.db2.gz GMZCTDNXGBYJOX-VQHVLOKHSA-N -1 0 333.384 2.596 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001588567688 983647529 /nfs/dbraw/zinc/64/75/29/983647529.db2.gz QJKBKXNEYKJUOG-UHFFFAOYSA-N -1 0 343.379 2.618 20 30 EFEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588577364 983656147 /nfs/dbraw/zinc/65/61/47/983656147.db2.gz SYMYHEFBGBDYNS-LBPRGKRZSA-N -1 0 332.429 2.802 20 30 EFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1nc(CCOC)no1 ZINC001588577368 983656317 /nfs/dbraw/zinc/65/63/17/983656317.db2.gz TWGSTOBJDNUUIH-UHFFFAOYSA-N -1 0 332.356 2.654 20 30 EFEDRM C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588588882 983664852 /nfs/dbraw/zinc/66/48/52/983664852.db2.gz BWSZPCSBZSAMRS-MRXNPFEDSA-N -1 0 348.428 2.589 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588591439 983672879 /nfs/dbraw/zinc/67/28/79/983672879.db2.gz JEWFFTDETKPKGY-JHJVBQTASA-N -1 0 336.461 2.579 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588592392 983677648 /nfs/dbraw/zinc/67/76/48/983677648.db2.gz XHZGIIZQBGNRLP-MLGOLLRUSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588597770 983680566 /nfs/dbraw/zinc/68/05/66/983680566.db2.gz LMCWKYLRORGZGV-HNNXBMFYSA-N -1 0 345.447 2.782 20 30 EFEDRM C=C(C)c1cccc(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1 ZINC001588606274 983696885 /nfs/dbraw/zinc/69/68/85/983696885.db2.gz UOUUMYVENRXUFL-UHFFFAOYSA-N -1 0 326.356 2.772 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(CC)CC(=O)Nc1c(C)cccc1C ZINC001588612012 983701353 /nfs/dbraw/zinc/70/13/53/983701353.db2.gz FOECTOGNIZJWEV-UHFFFAOYSA-N -1 0 332.400 2.511 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001588615409 983711914 /nfs/dbraw/zinc/71/19/14/983711914.db2.gz SSQBGQJLHINNIX-GJZGRUSLSA-N -1 0 335.400 2.895 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC001588618839 983713454 /nfs/dbraw/zinc/71/34/54/983713454.db2.gz BNYFUAGQFZVYSR-CQSZACIVSA-N -1 0 341.411 2.649 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC001588621451 983719360 /nfs/dbraw/zinc/71/93/60/983719360.db2.gz DLVAKDONYXXWBW-OAHLLOKOSA-N -1 0 347.802 2.700 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCOc1ccccc1C(F)(F)F ZINC001588624578 983733174 /nfs/dbraw/zinc/73/31/74/983733174.db2.gz OGACZVKYQIDORB-UHFFFAOYSA-N -1 0 331.290 2.621 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c2ccccc2oc1C(=O)OCC ZINC001588629428 983737317 /nfs/dbraw/zinc/73/73/17/983737317.db2.gz ASMALAWFPVIGBZ-UHFFFAOYSA-N -1 0 345.351 2.647 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 ZINC001588629649 983738529 /nfs/dbraw/zinc/73/85/29/983738529.db2.gz PUPLHEWWABRIIK-UHFFFAOYSA-N -1 0 334.763 2.793 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(Br)ccc1C ZINC001588629855 983739875 /nfs/dbraw/zinc/73/98/75/983739875.db2.gz LGMQQYMJZWORQR-UHFFFAOYSA-N -1 0 326.190 2.795 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC001588630150 983741882 /nfs/dbraw/zinc/74/18/82/983741882.db2.gz RPKQKXLPGDICDR-UHFFFAOYSA-N -1 0 327.384 2.717 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(-c2nc(CC)no2)ccc1C ZINC001588630143 983741921 /nfs/dbraw/zinc/74/19/21/983741921.db2.gz FEQDADKOUBARRZ-UHFFFAOYSA-N -1 0 329.356 2.967 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC001588630267 983742774 /nfs/dbraw/zinc/74/27/74/983742774.db2.gz WBDQNMGHWFJBBI-UHFFFAOYSA-N -1 0 340.379 2.698 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC001588633046 983746905 /nfs/dbraw/zinc/74/69/05/983746905.db2.gz GUOCXLQYNDOPGC-UHFFFAOYSA-N -1 0 345.249 2.552 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588633067 983747627 /nfs/dbraw/zinc/74/76/27/983747627.db2.gz HIYHESWINMQSHA-UHFFFAOYSA-N -1 0 347.392 2.725 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC001588633161 983748082 /nfs/dbraw/zinc/74/80/82/983748082.db2.gz CHWTYUVYCFLBPY-UHFFFAOYSA-N -1 0 333.384 2.930 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC001588633519 983750042 /nfs/dbraw/zinc/75/00/42/983750042.db2.gz KANUROZONDTZGG-UHFFFAOYSA-N -1 0 333.384 2.912 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC001588633632 983750363 /nfs/dbraw/zinc/75/03/63/983750363.db2.gz LAXUNSKBVSIMKD-HZPDHXFCSA-N -1 0 333.384 2.728 20 30 EFEDRM C=C(CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-])c1ccccc1 ZINC001588636660 983755972 /nfs/dbraw/zinc/75/59/72/983755972.db2.gz POFAADGTAUHUGV-UHFFFAOYSA-N -1 0 344.392 2.523 20 30 EFEDRM C=C(CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-])c1ccccc1 ZINC001588636669 983755981 /nfs/dbraw/zinc/75/59/81/983755981.db2.gz PYSYPPZZESYLEO-UHFFFAOYSA-N -1 0 344.392 2.523 20 30 EFEDRM C=C(COc1cc(Br)cc(C(=O)[O-])c1)C(=O)OCC ZINC001588637384 983759825 /nfs/dbraw/zinc/75/98/25/983759825.db2.gz NBQLMLYQOUVMPO-UHFFFAOYSA-N -1 0 329.146 2.645 20 30 EFEDRM C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(C(C)(C)C(=O)[O-])cc2)C1=O ZINC001588641620 983762763 /nfs/dbraw/zinc/76/27/63/983762763.db2.gz GNKSXOJHFHYDOY-LBPRGKRZSA-N -1 0 336.775 2.616 20 30 EFEDRM C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588643557 983766570 /nfs/dbraw/zinc/76/65/70/983766570.db2.gz LAJUPKIXEYYHEQ-CYBMUJFWSA-N -1 0 338.839 2.674 20 30 EFEDRM C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588643955 983767898 /nfs/dbraw/zinc/76/78/98/983767898.db2.gz ZOQWHDLPRVCGJL-UHFFFAOYSA-N -1 0 346.818 2.999 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588644229 983768713 /nfs/dbraw/zinc/76/87/13/983768713.db2.gz IYTZVZCXMMFZBL-GASCZTMLSA-N -1 0 344.367 2.886 20 30 EFEDRM C=C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1)c1ccccc1 ZINC001588661455 983786148 /nfs/dbraw/zinc/78/61/48/983786148.db2.gz IZVIESPPTULYAU-FJIDUMEYSA-N -1 0 343.423 2.827 20 30 EFEDRM C=C[C@@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588663194 983793643 /nfs/dbraw/zinc/79/36/43/983793643.db2.gz CMOOVJVCXCGTHG-OAHLLOKOSA-N -1 0 325.364 2.979 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC001588663704 983796008 /nfs/dbraw/zinc/79/60/08/983796008.db2.gz JRMUJVVEYBFDTJ-AWEZNQCLSA-N -1 0 345.226 2.571 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588676767 983830807 /nfs/dbraw/zinc/83/08/07/983830807.db2.gz AENCTEFJAQKBQL-LSDHHAIUSA-N -1 0 344.411 2.532 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001588677194 983834338 /nfs/dbraw/zinc/83/43/38/983834338.db2.gz WYOOQZHXJJCGHK-MNOVXSKESA-N -1 0 336.354 2.883 20 30 EFEDRM C=CC(C)(C)CNS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588680845 983836947 /nfs/dbraw/zinc/83/69/47/983836947.db2.gz IAQOGRKHZCANIZ-UHFFFAOYSA-N -1 0 337.850 2.899 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001588681540 983840066 /nfs/dbraw/zinc/84/00/66/983840066.db2.gz YOUVEAQBZHEBKO-SFHVURJKSA-N -1 0 332.448 2.910 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001588682357 983844119 /nfs/dbraw/zinc/84/41/19/983844119.db2.gz MFXGNULHGJVBSK-SFHVURJKSA-N -1 0 332.400 2.502 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588683125 983846796 /nfs/dbraw/zinc/84/67/96/983846796.db2.gz VDNRXYYIZOQMBA-FCEWJHQRSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588683823 983851103 /nfs/dbraw/zinc/85/11/03/983851103.db2.gz FMNIIPYIFKLFGF-YLJYHZDGSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588684662 983862030 /nfs/dbraw/zinc/86/20/30/983862030.db2.gz WFXDUUKPRTZDES-CQSZACIVSA-N -1 0 347.289 2.592 20 30 EFEDRM C=C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588686772 983866864 /nfs/dbraw/zinc/86/68/64/983866864.db2.gz DOZPMUKXRIVQBZ-SSDOTTSWSA-N -1 0 325.752 2.693 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588690828 983876790 /nfs/dbraw/zinc/87/67/90/983876790.db2.gz MINQFOFSNRPAGT-IUODEOHRSA-N -1 0 330.409 2.615 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001588691066 983878716 /nfs/dbraw/zinc/87/87/16/983878716.db2.gz QMCBJGMRRBYAMS-LBPRGKRZSA-N -1 0 328.372 2.565 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001588691355 983880255 /nfs/dbraw/zinc/88/02/55/983880255.db2.gz YVFRMWXJFSSCTL-QWRGUYRKSA-N -1 0 336.363 2.569 20 30 EFEDRM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596385688 983913042 /nfs/dbraw/zinc/91/30/42/983913042.db2.gz RFMVFTUPHWSQEL-UHFFFAOYSA-N -1 0 344.392 2.780 20 30 EFEDRM C=C[C@H](Nc1cc(Br)ccc1OCCOC)C(=O)[O-] ZINC001588701984 983917773 /nfs/dbraw/zinc/91/77/73/983917773.db2.gz FKTGGMSLFVYTQC-JTQLQIEISA-N -1 0 330.178 2.525 20 30 EFEDRM C=C[C@@H](Nc1cc(C)n(CCCOc2ccc(F)cc2)n1)C(=O)[O-] ZINC001588702316 983919710 /nfs/dbraw/zinc/91/97/10/983919710.db2.gz PWFXDBSMPKORDK-OAHLLOKOSA-N -1 0 333.363 2.851 20 30 EFEDRM C=C[C@H](Nc1ccc(C(=O)NCc2ccccc2F)cc1)C(=O)[O-] ZINC001588702369 983920333 /nfs/dbraw/zinc/92/03/33/983920333.db2.gz RCFWPKJRTJBLNU-INIZCTEOSA-N -1 0 328.343 2.807 20 30 EFEDRM C=C[C@H](Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-] ZINC001588714612 983952236 /nfs/dbraw/zinc/95/22/36/983952236.db2.gz JPKPFVURTONPED-JTQLQIEISA-N -1 0 325.777 2.865 20 30 EFEDRM C=C[C@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588715237 983954386 /nfs/dbraw/zinc/95/43/86/983954386.db2.gz UDERCRJIHJLDFG-VIFPVBQESA-N -1 0 326.317 2.711 20 30 EFEDRM C=C[C@@H](Sc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001588715229 983954735 /nfs/dbraw/zinc/95/47/35/983954735.db2.gz UDERCRJIHJLDFG-SECBINFHSA-N -1 0 326.317 2.711 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588719309 983959641 /nfs/dbraw/zinc/95/96/41/983959641.db2.gz OZVVZPVXIUBUNA-CWVKQELPSA-N -1 0 338.473 2.866 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001588729396 983989657 /nfs/dbraw/zinc/98/96/57/983989657.db2.gz JVFZOEHIBGFGNX-AWEZNQCLSA-N -1 0 344.436 2.688 20 30 EFEDRM C=CCC(C)(C)CNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001588736320 984024344 /nfs/dbraw/zinc/02/43/44/984024344.db2.gz HFOYYIYNRNWFRO-UHFFFAOYSA-N -1 0 325.796 2.835 20 30 EFEDRM C=CCC(C)(C)CNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001588736874 984027235 /nfs/dbraw/zinc/02/72/35/984027235.db2.gz YHHJWVSXRTYSQZ-LLVKDONJSA-N -1 0 349.387 2.812 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001588737634 984029978 /nfs/dbraw/zinc/02/99/78/984029978.db2.gz PIZBYTHDWOETSC-IBGZPJMESA-N -1 0 341.411 2.764 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001588745041 984048288 /nfs/dbraw/zinc/04/82/88/984048288.db2.gz UEZAVLLKGDBFOU-GVDBMIGSSA-N -1 0 331.412 2.560 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC001588756077 984096346 /nfs/dbraw/zinc/09/63/46/984096346.db2.gz GYGWUHBDQBZVET-NSHDSACASA-N -1 0 329.146 2.644 20 30 EFEDRM C=CC[C@H](OC(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)[O-] ZINC001588756395 984097656 /nfs/dbraw/zinc/09/76/56/984097656.db2.gz KPBODMPWMYPPLV-VIFPVBQESA-N -1 0 328.246 2.539 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(NC(=O)OC)cc1Cl)C(=O)[O-] ZINC001588756936 984100144 /nfs/dbraw/zinc/10/01/44/984100144.db2.gz QIOBABBZDKGYEN-LLVKDONJSA-N -1 0 327.720 2.704 20 30 EFEDRM C=CC[C@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)[O-] ZINC001588762798 984117455 /nfs/dbraw/zinc/11/74/55/984117455.db2.gz MYDBMARWFAULJH-NEPJUHHUSA-N -1 0 334.353 2.704 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCCC1 ZINC001588767376 984130671 /nfs/dbraw/zinc/13/06/71/984130671.db2.gz YGXZUZZJYUZCCJ-ZDUSSCGKSA-N -1 0 344.411 2.818 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001588769449 984133567 /nfs/dbraw/zinc/13/35/67/984133567.db2.gz URSKECYBRXXSTA-UHFFFAOYSA-N -1 0 332.400 2.639 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001588770505 984134439 /nfs/dbraw/zinc/13/44/39/984134439.db2.gz AKEQUSOZNXYNIS-CMPLNLGQSA-N -1 0 336.413 2.636 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588771060 984137501 /nfs/dbraw/zinc/13/75/01/984137501.db2.gz MZSWDIFKBJEHGG-SMDDNHRTSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588771472 984140141 /nfs/dbraw/zinc/14/01/41/984140141.db2.gz VURGFPDJEPTQCK-HZSPNIEDSA-N -1 0 346.431 2.850 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC001588772504 984143179 /nfs/dbraw/zinc/14/31/79/984143179.db2.gz GTAOXMUIKLWGFP-LBPRGKRZSA-N -1 0 341.404 2.809 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001588776759 984153115 /nfs/dbraw/zinc/15/31/15/984153115.db2.gz FFHSTRCZUDMCPM-OKILXGFUSA-N -1 0 331.368 2.745 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001588777503 984156314 /nfs/dbraw/zinc/15/63/14/984156314.db2.gz BKZZEHWBQHGPLW-UHFFFAOYSA-N -1 0 329.418 2.811 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588777812 984157745 /nfs/dbraw/zinc/15/77/45/984157745.db2.gz MDKUMFPXPKZDIF-UHFFFAOYSA-N -1 0 331.478 2.933 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001588777977 984158547 /nfs/dbraw/zinc/15/85/47/984158547.db2.gz ODMLSAHOOJQTNG-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001588778151 984159281 /nfs/dbraw/zinc/15/92/81/984159281.db2.gz VBANXVNWRPFAFM-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588778145 984159348 /nfs/dbraw/zinc/15/93/48/984159348.db2.gz UVVBCYUCWNFBSX-CYBMUJFWSA-N -1 0 336.388 2.621 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@@H]3CC[C@H](C(=O)[O-])CN3C2=O)CCCC1 ZINC001588778947 984163524 /nfs/dbraw/zinc/16/35/24/984163524.db2.gz OJLDNDWLJAFGHA-KBPBESRZSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)CCCC1 ZINC001588778950 984163542 /nfs/dbraw/zinc/16/35/42/984163542.db2.gz OJLDNDWLJAFGHA-ZIAGYGMSSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588782562 984172763 /nfs/dbraw/zinc/17/27/63/984172763.db2.gz IZAKDMCOKUTUDJ-SNVBAGLBSA-N -1 0 336.363 2.632 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001588786136 984183154 /nfs/dbraw/zinc/18/31/54/984183154.db2.gz MTJGNZKTCOOTFS-NVXWUHKLSA-N -1 0 344.411 2.887 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787635 984187613 /nfs/dbraw/zinc/18/76/13/984187613.db2.gz WZZJEEJETGVAFP-OLZOCXBDSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588788558 984191028 /nfs/dbraw/zinc/19/10/28/984191028.db2.gz GVJXETCARJGGSD-ZDUSSCGKSA-N -1 0 338.385 2.613 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCn1c(CC)nc2ccccc21)C(=O)[O-] ZINC001588788534 984191155 /nfs/dbraw/zinc/19/11/55/984191155.db2.gz FZYKAMZLRWARDK-OAHLLOKOSA-N -1 0 343.427 2.915 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001588788608 984191607 /nfs/dbraw/zinc/19/16/07/984191607.db2.gz IGDLLOZMUGIRHL-ZDUSSCGKSA-N -1 0 339.338 2.853 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(c2cc(C)ccc2C)=NO1)C(=O)[O-] ZINC001588789615 984199994 /nfs/dbraw/zinc/19/99/94/984199994.db2.gz GLTGASWEWVERLW-WBVHZDCISA-N -1 0 344.411 2.722 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001588792432 984209263 /nfs/dbraw/zinc/20/92/63/984209263.db2.gz HCWJHRWAWLKEOB-CQSZACIVSA-N -1 0 339.351 2.753 20 30 EFEDRM CCNC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2C#N)c(C)c1 ZINC001596483040 984214504 /nfs/dbraw/zinc/21/45/04/984214504.db2.gz DNJOYNRJPKRQII-UHFFFAOYSA-N -1 0 337.379 2.927 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)[O-] ZINC001588793007 984214768 /nfs/dbraw/zinc/21/47/68/984214768.db2.gz JVGLDRNJZCCYPP-NSHDSACASA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1NC(=O)C1CC1)C(=O)[O-] ZINC001588793165 984216434 /nfs/dbraw/zinc/21/64/34/984216434.db2.gz LXRPNGDCFIPUAS-HNNXBMFYSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)C(=O)[O-] ZINC001588793237 984217201 /nfs/dbraw/zinc/21/72/01/984217201.db2.gz NCICNNHXULHOMN-AWEZNQCLSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC001588793384 984218221 /nfs/dbraw/zinc/21/82/21/984218221.db2.gz PXDRHMCGORNJNO-OAHLLOKOSA-N -1 0 330.384 2.501 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2cnn(C)c2)ccc1F)C(=O)[O-] ZINC001588793410 984218775 /nfs/dbraw/zinc/21/87/75/984218775.db2.gz XKYABPCUNBIKSI-INIZCTEOSA-N -1 0 345.374 2.766 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)C(=O)[O-] ZINC001588794248 984225816 /nfs/dbraw/zinc/22/58/16/984225816.db2.gz PGQNHPIEJODLNY-OWCLPIDISA-N -1 0 345.443 2.978 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(OCC)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588794351 984226365 /nfs/dbraw/zinc/22/63/65/984226365.db2.gz ROAZGUJPNCNVEP-NSHDSACASA-N -1 0 336.344 2.533 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)CC(=O)[O-] ZINC001588794534 984228300 /nfs/dbraw/zinc/22/83/00/984228300.db2.gz XZEZGWJMEPXHEV-LBPRGKRZSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC001588797706 984230422 /nfs/dbraw/zinc/23/04/22/984230422.db2.gz JUHUHMWBPVFENU-CYBMUJFWSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588798152 984233871 /nfs/dbraw/zinc/23/38/71/984233871.db2.gz VWRORIYHDXBNMR-CYBMUJFWSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@H]1NC(=O)N(c2cc(Cl)c(F)c(C(=O)[O-])c2)C1=O ZINC001588798667 984237645 /nfs/dbraw/zinc/23/76/45/984237645.db2.gz NJUBOEKAJJOMDP-LLVKDONJSA-N -1 0 340.738 2.958 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588801676 984246766 /nfs/dbraw/zinc/24/67/66/984246766.db2.gz RZWDZKNBAUNVNH-UHFFFAOYSA-N -1 0 333.356 2.640 20 30 EFEDRM C=CCCN1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001588807540 984260725 /nfs/dbraw/zinc/26/07/25/984260725.db2.gz OSQROMOJLTVNLQ-UHFFFAOYSA-N -1 0 326.190 2.918 20 30 EFEDRM C=CCCOCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588810570 984268101 /nfs/dbraw/zinc/26/81/01/984268101.db2.gz YIWHIYYEHIPHFM-CYBMUJFWSA-N -1 0 343.173 2.711 20 30 EFEDRM C=CCCOCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001588810523 984268188 /nfs/dbraw/zinc/26/81/88/984268188.db2.gz WBHAQFBWHCBYAY-UHFFFAOYSA-N -1 0 329.146 2.645 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(CCC)[C@@H](C)C(=O)[O-])cc1 ZINC001588814607 984271618 /nfs/dbraw/zinc/27/16/18/984271618.db2.gz IAKUCQDSZAFSCY-ZDUSSCGKSA-N -1 0 325.430 2.679 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588814707 984272114 /nfs/dbraw/zinc/27/21/14/984272114.db2.gz MSECJFLUFRNUKG-SFHVURJKSA-N -1 0 343.383 2.643 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001588814740 984272697 /nfs/dbraw/zinc/27/26/97/984272697.db2.gz OVESRMGNQXXBGC-HNNXBMFYSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588814771 984272712 /nfs/dbraw/zinc/27/27/12/984272712.db2.gz QKADGELEUULQQE-SECBINFHSA-N -1 0 329.447 2.511 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001588814722 984272791 /nfs/dbraw/zinc/27/27/91/984272791.db2.gz NEYFJKRBVFIZEF-GJZGRUSLSA-N -1 0 332.400 2.664 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001588820495 984284772 /nfs/dbraw/zinc/28/47/72/984284772.db2.gz GRNXFMUEINSYFE-UHFFFAOYSA-N -1 0 331.821 2.932 20 30 EFEDRM C=CCN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(C)(C)C ZINC001588820555 984284977 /nfs/dbraw/zinc/28/49/77/984284977.db2.gz KPIGIBOLLAUAMU-UHFFFAOYSA-N -1 0 327.384 2.997 20 30 EFEDRM C=CCN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588824084 984296028 /nfs/dbraw/zinc/29/60/28/984296028.db2.gz QLMAUKNWSHTWBO-UHFFFAOYSA-N -1 0 349.390 2.883 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001588825183 984299004 /nfs/dbraw/zinc/29/90/04/984299004.db2.gz FRIPJVPZSPPSDT-UHFFFAOYSA-N -1 0 338.429 2.537 20 30 EFEDRM C=CCN(CC=C)C(=O)CS[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001588825398 984300622 /nfs/dbraw/zinc/30/06/22/984300622.db2.gz OFSABMSFCBJUPK-MRXNPFEDSA-N -1 0 333.453 2.925 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)SCc1nc(C(=O)[O-])cs1 ZINC001588825399 984300914 /nfs/dbraw/zinc/30/09/14/984300914.db2.gz OSOKULJCTMIKIF-JTQLQIEISA-N -1 0 326.443 2.664 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001588829202 984312129 /nfs/dbraw/zinc/31/21/29/984312129.db2.gz ITDRBAVNQQSTJQ-XOUADPBQSA-N -1 0 332.400 2.519 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588832510 984322863 /nfs/dbraw/zinc/32/28/63/984322863.db2.gz ITGXIQYGTQNSHJ-DLBZAZTESA-N -1 0 347.411 2.622 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2C)C(C(=O)[O-])=C1C ZINC001588836711 984328699 /nfs/dbraw/zinc/32/86/99/984328699.db2.gz FSRYQDFOOHDQHS-CQSZACIVSA-N -1 0 331.328 2.514 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001588844193 984356458 /nfs/dbraw/zinc/35/64/58/984356458.db2.gz SLWDQDQBUYVBTH-UHFFFAOYSA-N -1 0 342.395 2.576 20 30 EFEDRM C=CCNc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001588849343 984370170 /nfs/dbraw/zinc/37/01/70/984370170.db2.gz LREAXMZRRDAWRH-LLVKDONJSA-N -1 0 332.410 2.926 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001588856917 984402373 /nfs/dbraw/zinc/40/23/73/984402373.db2.gz RZBOAKKEZVZHOH-MRXNPFEDSA-N -1 0 345.420 2.704 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1c(C)c(C)sc1-n1cccc1)C(=O)[O-] ZINC001588857180 984403040 /nfs/dbraw/zinc/40/30/40/984403040.db2.gz VOBNTCYZPFTTFC-ZDUSSCGKSA-N -1 0 348.424 2.541 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588860018 984410114 /nfs/dbraw/zinc/41/01/14/984410114.db2.gz GBCPDTFNIBSSAZ-ZDUSSCGKSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)OCc1occc1C(=O)[O-] ZINC001588869633 984440399 /nfs/dbraw/zinc/44/03/99/984440399.db2.gz RPPYMUIKTWUXKV-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2sccc2C(=O)[O-])c1 ZINC001588872809 984442661 /nfs/dbraw/zinc/44/26/61/984442661.db2.gz LDVNDANIOORSGN-UHFFFAOYSA-N -1 0 346.364 2.588 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001588873970 984446378 /nfs/dbraw/zinc/44/63/78/984446378.db2.gz PKVKUQAQEAUAJQ-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588873879 984446402 /nfs/dbraw/zinc/44/64/02/984446402.db2.gz OCXGZVQHFHHTRK-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588873950 984446485 /nfs/dbraw/zinc/44/64/85/984446485.db2.gz OMRUDDAOMQLECH-UHFFFAOYSA-N -1 0 339.391 2.851 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001588874047 984447615 /nfs/dbraw/zinc/44/76/15/984447615.db2.gz UAOCMDJRRUKAGN-KXBFYZLASA-N -1 0 329.396 2.507 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC001588874149 984447914 /nfs/dbraw/zinc/44/79/14/984447914.db2.gz YPTQTUZADCHAPJ-MIFYACCESA-N -1 0 331.412 2.894 20 30 EFEDRM C=CCOc1ccc(CC(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1 ZINC001588875077 984450572 /nfs/dbraw/zinc/45/05/72/984450572.db2.gz UWKYBYHDOLCCTB-UHFFFAOYSA-N -1 0 346.408 2.541 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1c(C)coc1CC(=O)[O-] ZINC001588877249 984452300 /nfs/dbraw/zinc/45/23/00/984452300.db2.gz FLOVWKVGFBXDEU-UHFFFAOYSA-N -1 0 329.352 2.710 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588879008 984456253 /nfs/dbraw/zinc/45/62/53/984456253.db2.gz QLWGPPAORPFKSD-OAHLLOKOSA-N -1 0 345.326 2.638 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001588882364 984462723 /nfs/dbraw/zinc/46/27/23/984462723.db2.gz OXYRIZFRMMBGPK-ZLKJLUDKSA-N -1 0 344.363 2.643 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1c(C)noc1C ZINC001588884856 984464711 /nfs/dbraw/zinc/46/47/11/984464711.db2.gz DDJZYRJRUARDDU-UHFFFAOYSA-N -1 0 345.351 2.875 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001588885108 984465941 /nfs/dbraw/zinc/46/59/41/984465941.db2.gz LULMSBGZQSQLJF-MCIONIFRSA-N -1 0 332.352 2.595 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001588885403 984467553 /nfs/dbraw/zinc/46/75/53/984467553.db2.gz QJLXWJNCPIEWQL-RVSPLBMKSA-N -1 0 346.379 2.842 20 30 EFEDRM C=CCc1cc(CNCc2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC001588885490 984468055 /nfs/dbraw/zinc/46/80/55/984468055.db2.gz MTVICOPVCDQHIQ-UHFFFAOYSA-N -1 0 348.424 2.877 20 30 EFEDRM C=CCc1cc(CNc2nc(C)cc(C(=O)[O-])n2)cc(OC)c1OC ZINC001588885787 984469688 /nfs/dbraw/zinc/46/96/88/984469688.db2.gz WEKLLIVVEYWPGY-UHFFFAOYSA-N -1 0 343.383 2.841 20 30 EFEDRM C=CCc1cc([C@H]2NC(=O)N(CC)C(C)=C2C(=O)[O-])cc(OC)c1O ZINC001588885792 984470034 /nfs/dbraw/zinc/47/00/34/984470034.db2.gz WGKPWUNEMDFHPB-OAHLLOKOSA-N -1 0 346.383 2.574 20 30 EFEDRM C=CCn1c(-c2cc3ccsc3[nH]2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588889067 984477698 /nfs/dbraw/zinc/47/76/98/984477698.db2.gz KCPDWELWGCHSJG-NSHDSACASA-N -1 0 343.412 2.585 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588889430 984479550 /nfs/dbraw/zinc/47/95/50/984479550.db2.gz URPVLIOWNNSXRX-GOEBONIOSA-N -1 0 340.427 2.987 20 30 EFEDRM C=CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC001588896001 984497895 /nfs/dbraw/zinc/49/78/95/984497895.db2.gz DISAIJXZQIZYPO-CQSZACIVSA-N -1 0 349.412 2.708 20 30 EFEDRM C=CCn1c(CSC(C)(C)C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588900694 984521812 /nfs/dbraw/zinc/52/18/12/984521812.db2.gz LKVDMCBTZSSLNQ-INIZCTEOSA-N -1 0 338.477 2.797 20 30 EFEDRM C=CCn1c(N2CCc3cc(C(=O)[O-])ccc3C2)nnc1C(C)(F)F ZINC001588904736 984532577 /nfs/dbraw/zinc/53/25/77/984532577.db2.gz AVSOCLLCNMNYKZ-UHFFFAOYSA-N -1 0 348.353 2.837 20 30 EFEDRM C=CCn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588904900 984533732 /nfs/dbraw/zinc/53/37/32/984533732.db2.gz HPKPANDFEXKEIX-HBUWYVDXSA-N -1 0 346.431 2.550 20 30 EFEDRM C=CCn1c(S[C@H](C=C)C(=O)[O-])nnc1-c1ccccc1OC ZINC001588905502 984537033 /nfs/dbraw/zinc/53/70/33/984537033.db2.gz XEKWDUZRJHZLAQ-CYBMUJFWSA-N -1 0 331.397 2.871 20 30 EFEDRM C=CCn1c(=O)[nH]nc1SCc1c(Cl)cccc1C(=O)[O-] ZINC001588907145 984538074 /nfs/dbraw/zinc/53/80/74/984538074.db2.gz CVICKLLLOAJVGT-UHFFFAOYSA-N -1 0 325.777 2.814 20 30 EFEDRM C=CCn1c(SCc2oncc2C(=O)[O-])nnc1-c1ccco1 ZINC001588907173 984538188 /nfs/dbraw/zinc/53/81/88/984538188.db2.gz FOJSFSLIMWAYEL-UHFFFAOYSA-N -1 0 332.341 2.703 20 30 EFEDRM C=CCn1c(SCc2oncc2C(=O)[O-])nnc1-c1cccnc1 ZINC001588907337 984538918 /nfs/dbraw/zinc/53/89/18/984538918.db2.gz JKIZNYANDWXFKQ-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C=CCn1c(SC[C@@H](F)C(=O)[O-])nnc1-c1ccccc1OC ZINC001588907599 984539296 /nfs/dbraw/zinc/53/92/96/984539296.db2.gz PTDOUPFTZNSDOH-LLVKDONJSA-N -1 0 337.376 2.655 20 30 EFEDRM C=CCn1cc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)nn1 ZINC001588909444 984544105 /nfs/dbraw/zinc/54/41/05/984544105.db2.gz UOAJUBYOTBTMDP-CYBMUJFWSA-N -1 0 341.198 2.686 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588914496 984558887 /nfs/dbraw/zinc/55/88/87/984558887.db2.gz YSTFUJHBCUYQNF-MAZHCROVSA-N -1 0 332.400 2.805 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588916497 984561191 /nfs/dbraw/zinc/56/11/91/984561191.db2.gz PNSMGRMESIQXPF-FRRDWIJNSA-N -1 0 343.301 2.696 20 30 EFEDRM CC#CCCCC(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001588927012 984595782 /nfs/dbraw/zinc/59/57/82/984595782.db2.gz IPVPBAHDJUNXHQ-UHFFFAOYSA-N -1 0 335.356 2.543 20 30 EFEDRM CCOC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001596666952 984733426 /nfs/dbraw/zinc/73/34/26/984733426.db2.gz RXLDLZNAGLXEHI-UHFFFAOYSA-N -1 0 326.312 2.963 20 30 EFEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1cnn(C)c1 ZINC001589016922 984999374 /nfs/dbraw/zinc/99/93/74/984999374.db2.gz OPFYAVHDUDNOPT-UHFFFAOYSA-N -1 0 337.177 2.717 20 30 EFEDRM CC(=N[N-]c1[nH+]ccn1C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017210 985002060 /nfs/dbraw/zinc/00/20/60/985002060.db2.gz BTHGPYIKNNYRPP-UHFFFAOYSA-N -1 0 329.385 2.873 20 30 EFEDRM CC(=O)[C@](C#N)(CCSc1nc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC001589021025 985010252 /nfs/dbraw/zinc/01/02/52/985010252.db2.gz JHBQROKZAMUKIM-MRXNPFEDSA-N -1 0 329.381 2.641 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(C)c(C)c1 ZINC001589024091 985029599 /nfs/dbraw/zinc/02/95/99/985029599.db2.gz BYENBANNBXUQPX-MRXNPFEDSA-N -1 0 342.395 2.707 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccccc1Cl ZINC001589024595 985037534 /nfs/dbraw/zinc/03/75/34/985037534.db2.gz SIFGUWPQQJKSFC-CQSZACIVSA-N -1 0 348.786 2.744 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[C@H]1C(=O)[O-] ZINC001599918154 985090000 /nfs/dbraw/zinc/09/00/00/985090000.db2.gz GSHFJVMAWGEDSJ-MJEQTWJJSA-N -1 0 341.411 2.688 20 30 EFEDRM C[Si](C)(C)C#CCCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599940234 985445634 /nfs/dbraw/zinc/44/56/34/985445634.db2.gz QMVOGSBEKAEZPN-UHFFFAOYSA-N -1 0 342.471 2.727 20 30 EFEDRM Cc1[nH]c(C(=O)CN2CCCc3cc(C#N)ccc32)c(C)c1C(=O)[O-] ZINC001599944927 985510093 /nfs/dbraw/zinc/51/00/93/985510093.db2.gz KOOHNIGRSQBIDC-UHFFFAOYSA-N -1 0 337.379 2.837 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2sccc2C#N)c(C)c1C(=O)[O-] ZINC001599948295 985565649 /nfs/dbraw/zinc/56/56/49/985565649.db2.gz LZLFMSQSZRQPIO-SECBINFHSA-N -1 0 346.364 2.691 20 30 EFEDRM Cc1[nH]c(CNc2cnn(Cc3ccc(C#N)cc3)c2)cc1C(=O)[O-] ZINC001599966006 985907322 /nfs/dbraw/zinc/90/73/22/985907322.db2.gz PQBJBTKEZAULCK-UHFFFAOYSA-N -1 0 335.367 2.750 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001589260845 985913652 /nfs/dbraw/zinc/91/36/52/985913652.db2.gz KKXMCEQQYYUTBF-UONOGXRCSA-N -1 0 337.335 2.529 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ncc(Cl)c(C)c1C#N ZINC001596914587 985927059 /nfs/dbraw/zinc/92/70/59/985927059.db2.gz BPVBDIRCPLVGDQ-NSHDSACASA-N -1 0 339.823 2.869 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599972985 986039901 /nfs/dbraw/zinc/03/99/01/986039901.db2.gz DLPNUQNJLPPWOA-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM Cc1c2c(nc(SCC3(C(=O)[O-])CCOCC3)c1C#N)CCC2 ZINC001599973093 986042868 /nfs/dbraw/zinc/04/28/68/986042868.db2.gz HQALUHDQKCMJHU-UHFFFAOYSA-N -1 0 332.425 2.724 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599974758 986070952 /nfs/dbraw/zinc/07/09/52/986070952.db2.gz HYFXJXHFUIYZCW-CQSZACIVSA-N -1 0 341.289 2.738 20 30 EFEDRM C[C@@H](C#N)CN(Cc1oc(Br)cc1C(=O)[O-])C1CC1 ZINC001589330627 986175751 /nfs/dbraw/zinc/17/57/51/986175751.db2.gz LDWJDSWCIXYKHX-QMMMGPOBSA-N -1 0 327.178 2.864 20 30 EFEDRM C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001589334174 986199116 /nfs/dbraw/zinc/19/91/16/986199116.db2.gz BDBKAVBCEUMBHK-NSHDSACASA-N -1 0 329.356 2.689 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589334787 986206241 /nfs/dbraw/zinc/20/62/41/986206241.db2.gz KILCNTRDLZTINR-JHJVBQTASA-N -1 0 331.372 2.552 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC001597014734 986363031 /nfs/dbraw/zinc/36/30/31/986363031.db2.gz IXVIHIJNLGWPSW-UHFFFAOYSA-N -1 0 331.372 2.941 20 30 EFEDRM C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(CC#N)CCC(=O)[O-] ZINC001589434958 986741230 /nfs/dbraw/zinc/74/12/30/986741230.db2.gz ALOIEWBRMIWOAZ-SECBINFHSA-N -1 0 344.198 2.621 20 30 EFEDRM CCOc1ccc(O)c(/C=N/[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)c1 ZINC001597130145 986843578 /nfs/dbraw/zinc/84/35/78/986843578.db2.gz KJMNCKWJXKMUKC-QQJYFMPNSA-N -1 0 333.384 2.622 20 30 EFEDRM CCC(=O)c1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001594722259 987211020 /nfs/dbraw/zinc/21/10/20/987211020.db2.gz KWOCKJLOFAGMRW-UHFFFAOYSA-N -1 0 329.356 2.502 20 30 EFEDRM CC[C@@H](C#N)[C@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)c1cccs1 ZINC001594722422 987212676 /nfs/dbraw/zinc/21/26/76/987212676.db2.gz PAZFTTAWHSDCDJ-GRLWGSQLSA-N -1 0 337.397 2.760 20 30 EFEDRM CC(C)(C#N)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001589553539 987290765 /nfs/dbraw/zinc/29/07/65/987290765.db2.gz DLMMUFWKMYXJPX-UHFFFAOYSA-N -1 0 329.381 2.674 20 30 EFEDRM CC(C)(C(=O)N(CC#N)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589560510 987313616 /nfs/dbraw/zinc/31/36/16/987313616.db2.gz FYURUDIWACPTTG-UHFFFAOYSA-N -1 0 342.317 2.810 20 30 EFEDRM CC(C)(C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001589561007 987319335 /nfs/dbraw/zinc/31/93/35/987319335.db2.gz XZEANFXPAPKYCO-UHFFFAOYSA-N -1 0 334.803 2.835 20 30 EFEDRM CCSc1ccccc1CC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597279876 987346138 /nfs/dbraw/zinc/34/61/38/987346138.db2.gz RAGIYPRGKLFCJZ-UHFFFAOYSA-N -1 0 332.425 2.558 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC001589597872 987417795 /nfs/dbraw/zinc/41/77/95/987417795.db2.gz CUXSOVVDSLKXNB-HNNXBMFYSA-N -1 0 338.367 2.927 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC001589672577 987674723 /nfs/dbraw/zinc/67/47/23/987674723.db2.gz PAATTYXFHHPVNX-AWEZNQCLSA-N -1 0 340.383 2.729 20 30 EFEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(CCC#N)c1C ZINC001597465934 987909279 /nfs/dbraw/zinc/90/92/79/987909279.db2.gz JVTVCHAGKAQCIO-UHFFFAOYSA-N -1 0 326.356 2.618 20 30 EFEDRM CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC001589751122 988049889 /nfs/dbraw/zinc/04/98/89/988049889.db2.gz JJIRBIWRONVYPV-ZDUSSCGKSA-N -1 0 327.384 2.784 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597542711 988232959 /nfs/dbraw/zinc/23/29/59/988232959.db2.gz IFNFPWQHKQIMAA-GFCCVEGCSA-N -1 0 342.376 2.970 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597543037 988236301 /nfs/dbraw/zinc/23/63/01/988236301.db2.gz PSCWLGUBKSFBLY-CQSZACIVSA-N -1 0 340.335 2.810 20 30 EFEDRM CSc1ccc(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1C#N ZINC001599813062 988372405 /nfs/dbraw/zinc/37/24/05/988372405.db2.gz KRMXLMRCHFKVLB-HYXAFXHYSA-N -1 0 342.376 2.901 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001597578676 988375212 /nfs/dbraw/zinc/37/52/12/988375212.db2.gz JIQLQWMWZWBMEO-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM CSc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C#N ZINC001599814448 988395785 /nfs/dbraw/zinc/39/57/85/988395785.db2.gz LJYUIQLRVVFDCB-UHFFFAOYSA-N -1 0 344.352 2.894 20 30 EFEDRM CSc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C#N ZINC001599814726 988401157 /nfs/dbraw/zinc/40/11/57/988401157.db2.gz PXMGLFJVXVOEHL-UHFFFAOYSA-N -1 0 344.352 2.894 20 30 EFEDRM CSc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001599815391 988413938 /nfs/dbraw/zinc/41/39/38/988413938.db2.gz JFNLBFWOGCTMIY-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM C[C@@H](CC(=O)[O-])OC(=O)c1occc1COc1cccc(C#N)c1 ZINC001599834801 988725770 /nfs/dbraw/zinc/72/57/70/988725770.db2.gz MGYBHKUGCQPLEA-NSHDSACASA-N -1 0 329.308 2.750 20 30 EFEDRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001599835729 988738619 /nfs/dbraw/zinc/73/86/19/988738619.db2.gz ZTTWNYACVGDLTP-NSHDSACASA-N -1 0 329.308 2.750 20 30 EFEDRM CCc1nn(Cc2cc(C(=O)[O-])ccc2Cl)c(=O)c(C#N)c1CC ZINC001597724454 989020112 /nfs/dbraw/zinc/02/01/12/989020112.db2.gz ORRSSCLCPSYSIA-UHFFFAOYSA-N -1 0 345.786 2.640 20 30 EFEDRM CCc1nnc(NC[C@H](C(=O)[O-])c2ccc(F)cc2)c(C#N)c1CC ZINC001597734736 989070467 /nfs/dbraw/zinc/07/04/67/989070467.db2.gz GFYQMVUYANLCHZ-HNNXBMFYSA-N -1 0 342.374 2.892 20 30 EFEDRM CCc1nnc(N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c(C#N)c1CC ZINC001597735534 989078170 /nfs/dbraw/zinc/07/81/70/989078170.db2.gz RYWSRZOCAUCPLF-SGTLLEGYSA-N -1 0 328.416 2.554 20 30 EFEDRM CCc1oc(C=Nn2c(C)nc3sccc3c2=O)cc1C(=O)[O-] ZINC001597792613 989333220 /nfs/dbraw/zinc/33/32/20/989333220.db2.gz BDUDUROFXYFIAP-UHFFFAOYSA-N -1 0 331.353 2.502 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001599876760 989428993 /nfs/dbraw/zinc/42/89/93/989428993.db2.gz NPXGUPAPEBJJIJ-DGCLKSJQSA-N -1 0 339.313 2.769 20 30 EFEDRM CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001597839410 989529957 /nfs/dbraw/zinc/52/99/57/989529957.db2.gz ADRFWNNUOVKIMA-UONOGXRCSA-N -1 0 333.436 2.786 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)c2cnc(C(=O)[O-])cn2)c1C#N ZINC001590537373 990153683 /nfs/dbraw/zinc/15/36/83/990153683.db2.gz UMIDIEVAPAVIAB-UHFFFAOYSA-N -1 0 330.369 2.658 20 30 EFEDRM CC(C)(C)n1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001590599542 990252987 /nfs/dbraw/zinc/25/29/87/990252987.db2.gz ARLRFOGKFIHVQI-UHFFFAOYSA-N -1 0 327.340 2.565 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC001590625725 990310483 /nfs/dbraw/zinc/31/04/83/990310483.db2.gz SXDHWPPAESRZIN-UHFFFAOYSA-N -1 0 346.383 2.595 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001590656662 990356770 /nfs/dbraw/zinc/35/67/70/990356770.db2.gz ZWQJGEFYTDSMRS-UHFFFAOYSA-N -1 0 338.795 2.562 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)CC(=O)[O-] ZINC001590716589 990477941 /nfs/dbraw/zinc/47/79/41/990477941.db2.gz CQGIQQJOCRCOTF-HOTGVXAUSA-N -1 0 343.427 2.969 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC(=O)[O-] ZINC001590716591 990478096 /nfs/dbraw/zinc/47/80/96/990478096.db2.gz CQGIQQJOCRCOTF-HZPDHXFCSA-N -1 0 343.427 2.969 20 30 EFEDRM CC(C)(CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)CC(=O)[O-] ZINC001590723943 990507634 /nfs/dbraw/zinc/50/76/34/990507634.db2.gz MRRVZSSESSTXCU-UHFFFAOYSA-N -1 0 331.416 2.679 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccoc1CC(=O)[O-] ZINC001590821844 990659518 /nfs/dbraw/zinc/65/95/18/990659518.db2.gz FCCPJFRPPSHATE-UHFFFAOYSA-N -1 0 326.352 2.529 20 30 EFEDRM CC(C)(O)C1CCC(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001590888981 990812013 /nfs/dbraw/zinc/81/20/13/990812013.db2.gz OFKCZIBLQRDYLJ-UHFFFAOYSA-N -1 0 345.395 2.877 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590905436 990869575 /nfs/dbraw/zinc/86/95/75/990869575.db2.gz YPHJFHOATLHMQP-CLWVCHIJSA-N -1 0 343.379 2.758 20 30 EFEDRM CC(C)C#CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001590928182 990940402 /nfs/dbraw/zinc/94/04/02/990940402.db2.gz VSICWCHBIZZCCR-CYBMUJFWSA-N -1 0 338.201 2.741 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001598288615 991197002 /nfs/dbraw/zinc/19/70/02/991197002.db2.gz ZVKHNOBKYDZGTJ-UHFFFAOYSA-N -1 0 335.363 2.525 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc(C#N)ccc1F ZINC001598300504 991244352 /nfs/dbraw/zinc/24/43/52/991244352.db2.gz NKJIKINXAKFKCJ-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001591052049 991455357 /nfs/dbraw/zinc/45/53/57/991455357.db2.gz LKNUOJKJOZDGQA-MAUKXSAKSA-N -1 0 344.411 2.579 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591052179 991456344 /nfs/dbraw/zinc/45/63/44/991456344.db2.gz NWCRVRLMLHTFGI-LXZKKBNFSA-N -1 0 344.411 2.531 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591052164 991456612 /nfs/dbraw/zinc/45/66/12/991456612.db2.gz NFKYNSPDLWRUNS-LPHOPBHVSA-N -1 0 344.411 2.675 20 30 EFEDRM CN(C)c1ncccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598358686 991479399 /nfs/dbraw/zinc/47/93/99/991479399.db2.gz IUXFJFIUBAPHID-JXMROGBWSA-N -1 0 326.352 2.507 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001591342775 992322057 /nfs/dbraw/zinc/32/20/57/992322057.db2.gz KKOZYBVBVCTBNG-UHFFFAOYSA-N -1 0 325.368 2.883 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=S)NCCCC(=O)[O-] ZINC001591343303 992324423 /nfs/dbraw/zinc/32/44/23/992324423.db2.gz UXGKJPJKGOQZAI-UHFFFAOYSA-N -1 0 333.457 2.756 20 30 EFEDRM CN(CCOc1ccc(F)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598499843 992418790 /nfs/dbraw/zinc/41/87/90/992418790.db2.gz WOEYHVGKZWNZRX-UHFFFAOYSA-N -1 0 328.343 2.906 20 30 EFEDRM CN(CCOc1ccccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001598500008 992422372 /nfs/dbraw/zinc/42/23/72/992422372.db2.gz ZKIOUPDKKDYWFG-UHFFFAOYSA-N -1 0 326.352 2.537 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001598509272 992547848 /nfs/dbraw/zinc/54/78/48/992547848.db2.gz NHIZQCIHBQALMX-UHFFFAOYSA-N -1 0 348.362 2.537 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001598509342 992549113 /nfs/dbraw/zinc/54/91/13/992549113.db2.gz RTMYXHRFDAHQEN-UHFFFAOYSA-N -1 0 347.374 2.939 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001591507555 992659196 /nfs/dbraw/zinc/65/91/96/992659196.db2.gz GSGRSFNASJXKBW-SUMWQHHRSA-N -1 0 333.436 2.642 20 30 EFEDRM CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591509122 992665881 /nfs/dbraw/zinc/66/58/81/992665881.db2.gz XSARWAYQRLFLKT-DEYYWGMASA-N -1 0 347.463 2.888 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C#N)cc1F ZINC001598523951 992695454 /nfs/dbraw/zinc/69/54/54/992695454.db2.gz QUEVIICXCPAXKT-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM C[C@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccc(F)cc1 ZINC001593145442 993940666 /nfs/dbraw/zinc/94/06/66/993940666.db2.gz FLWAXXNVTDYAAH-QGZVFWFLSA-N -1 0 348.280 2.705 20 30 EFEDRM C[C@H](NC(=O)c1csc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593184437 994088527 /nfs/dbraw/zinc/08/85/27/994088527.db2.gz CDVHNIVTYBRICW-JTQLQIEISA-N -1 0 330.365 2.574 20 30 EFEDRM COc1ccc2[nH]c3c(c2c1)CCN(c1ccc(C(=O)[O-])nc1C#N)C3 ZINC001599623865 994121158 /nfs/dbraw/zinc/12/11/58/994121158.db2.gz VGDDGUMTAMWPEL-UHFFFAOYSA-N -1 0 348.362 2.704 20 30 EFEDRM COc1ccc2c(c1)CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)CCO2 ZINC001599629765 994199553 /nfs/dbraw/zinc/19/95/53/994199553.db2.gz CEYIITKZOCBHOR-SFHVURJKSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1ccc2c(c1)OCCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001599631171 994220446 /nfs/dbraw/zinc/22/04/46/994220446.db2.gz YGMGNAUBZGIOHP-GOSISDBHSA-N -1 0 338.363 2.587 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599633416 994250885 /nfs/dbraw/zinc/25/08/85/994250885.db2.gz ANEVRBHIUBLJSE-UHFFFAOYSA-N -1 0 342.351 2.919 20 30 EFEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1F ZINC001599645501 994419504 /nfs/dbraw/zinc/41/95/04/994419504.db2.gz BRCRSAGLJOZIHH-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM C[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1[O-] ZINC001593304633 994750838 /nfs/dbraw/zinc/75/08/38/994750838.db2.gz PQQBJCYHBFZDBQ-GFCCVEGCSA-N -1 0 326.352 2.578 20 30 EFEDRM C[C@H](Nc1cc(C#N)nc(C2CC2)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593359282 995013589 /nfs/dbraw/zinc/01/35/89/995013589.db2.gz ALBKJYPJEZSGNP-BLLLJJGKSA-N -1 0 336.395 2.970 20 30 EFEDRM C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593517557 995554825 /nfs/dbraw/zinc/55/48/25/995554825.db2.gz WEBYMNKBUZJZPG-GXTWGEPZSA-N -1 0 331.368 2.686 20 30 EFEDRM C[C@H](OC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)C(=O)[O-] ZINC001593591505 995715660 /nfs/dbraw/zinc/71/56/60/995715660.db2.gz JCFGNHIVPIBXOV-NSHDSACASA-N -1 0 339.303 2.550 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593612638 995816767 /nfs/dbraw/zinc/81/67/67/995816767.db2.gz XNQGYZBTCFMHRK-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1F)C(=O)[O-] ZINC001593625902 995892107 /nfs/dbraw/zinc/89/21/07/995892107.db2.gz BDZFJFAPTLWDNV-NSHDSACASA-N -1 0 349.362 2.835 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593641261 995950246 /nfs/dbraw/zinc/95/02/46/995950246.db2.gz BSPZOFHAPKBOIO-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccsc1C(=O)[O-] ZINC001593641596 995953359 /nfs/dbraw/zinc/95/33/59/995953359.db2.gz SLZYRHPGLWJENS-SNVBAGLBSA-N -1 0 331.349 2.829 20 30 EFEDRM CC(C)c1nccnc1N=NCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001593644984 995969336 /nfs/dbraw/zinc/96/93/36/995969336.db2.gz NYFSJGOSZPNZOO-LBPRGKRZSA-N -1 0 328.372 2.898 20 30 EFEDRM C[C@@H](S[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC001593658403 996031345 /nfs/dbraw/zinc/03/13/45/996031345.db2.gz FAOXOGWPOFXBRD-IUODEOHRSA-N -1 0 332.425 2.818 20 30 EFEDRM C[C@H](S[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(C#N)cc1 ZINC001593658404 996031548 /nfs/dbraw/zinc/03/15/48/996031548.db2.gz FAOXOGWPOFXBRD-SWLSCSKDSA-N -1 0 332.425 2.818 20 30 EFEDRM C[C@@H](SCc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593661583 996038467 /nfs/dbraw/zinc/03/84/67/996038467.db2.gz HNTQWTPVNQNZHW-CYBMUJFWSA-N -1 0 332.425 2.525 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)NCC#C[C@H]1CCCCO1)C(=O)[O-] ZINC001593668874 996067626 /nfs/dbraw/zinc/06/76/26/996067626.db2.gz LFCWSHRAWOMXSP-ZIAGYGMSSA-N -1 0 347.436 2.554 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)NCc1nc(C#N)cs1)C(=O)[O-] ZINC001593672233 996074895 /nfs/dbraw/zinc/07/48/95/996074895.db2.gz MCIFYSGICQXJOX-SECBINFHSA-N -1 0 347.421 2.510 20 30 EFEDRM C[C@H](c1ccc(C#N)cc1)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593685658 996117476 /nfs/dbraw/zinc/11/74/76/996117476.db2.gz DEUSYKRLFISOKK-CYBMUJFWSA-N -1 0 332.400 2.738 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001593690161 996135219 /nfs/dbraw/zinc/13/52/19/996135219.db2.gz PCETYFRZZSWMPN-UGSOOPFHSA-N -1 0 325.368 2.991 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593697966 996159993 /nfs/dbraw/zinc/15/99/93/996159993.db2.gz BXYDQFCEGODZSZ-LBPRGKRZSA-N -1 0 338.367 2.805 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593698106 996161264 /nfs/dbraw/zinc/16/12/64/996161264.db2.gz FWRFDYVKDLQUAT-ZDUSSCGKSA-N -1 0 332.400 2.738 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCN(c2ccsc2C#N)CC1 ZINC001593736482 996326194 /nfs/dbraw/zinc/32/61/94/996326194.db2.gz AMIYUSOVZVKMET-SNVBAGLBSA-N -1 0 348.453 2.658 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001593743043 996364948 /nfs/dbraw/zinc/36/49/48/996364948.db2.gz NYVNSDIGFKQVSM-MRXNPFEDSA-N -1 0 333.413 2.772 20 30 EFEDRM CC1(C)C[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C(C)(C)O1 ZINC001593848245 996619072 /nfs/dbraw/zinc/61/90/72/996619072.db2.gz NAWHGHOMGNPPQD-KGLIPLIRSA-N -1 0 331.368 2.821 20 30 EFEDRM COCc1cc(NC(=O)c2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1 ZINC001599288692 997025139 /nfs/dbraw/zinc/02/51/39/997025139.db2.gz LTTOTJOZUFKXLC-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COCc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc(C(=O)[O-])c1 ZINC001599288920 997028850 /nfs/dbraw/zinc/02/88/50/997028850.db2.gz OILFEAXPRCDOHX-FZMZJTMJSA-N -1 0 331.372 2.735 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])cc2c1OCO2 ZINC001599399094 997182978 /nfs/dbraw/zinc/18/29/78/997182978.db2.gz DMVMLSOWJGLDSD-UHFFFAOYSA-N -1 0 332.287 2.707 20 30 EFEDRM COc1cc(CN(C)Cc2cccc(C(=O)[O-])c2C#N)ccc1O ZINC001599405208 997284597 /nfs/dbraw/zinc/28/45/97/997284597.db2.gz PVVRCPQSMLGYJY-UHFFFAOYSA-N -1 0 326.352 2.603 20 30 EFEDRM COC(=O)c1[nH]c(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC001598909839 997344987 /nfs/dbraw/zinc/34/49/87/997344987.db2.gz WGQOJLDRBMPMJZ-UHFFFAOYSA-N -1 0 335.747 2.907 20 30 EFEDRM COc1cc(CNC(=O)c2[nH]c3ccccc3c2C#N)ccc1C(=O)[O-] ZINC001599413570 997465469 /nfs/dbraw/zinc/46/54/69/997465469.db2.gz RNFUFFVVYZGSCT-UHFFFAOYSA-N -1 0 349.346 2.676 20 30 EFEDRM COc1cc(CNc2ccc(C#N)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599418069 997544974 /nfs/dbraw/zinc/54/49/74/997544974.db2.gz AVKVXQKHCCVWHT-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1cc(CNc2c(C#N)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599418450 997551027 /nfs/dbraw/zinc/55/10/27/997551027.db2.gz JTKHMXVYSVFWDA-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC001599320222 997567482 /nfs/dbraw/zinc/56/74/82/997567482.db2.gz DXIBYDMBWAPFQT-KRWDZBQOSA-N -1 0 340.379 2.839 20 30 EFEDRM CON=CC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001599320814 997577503 /nfs/dbraw/zinc/57/75/03/997577503.db2.gz NPSQKBLWJHSRDA-UHFFFAOYSA-N -1 0 328.324 2.535 20 30 EFEDRM CON=Cc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC001599321271 997585489 /nfs/dbraw/zinc/58/54/89/997585489.db2.gz WSOLGVKQSUHLRE-UHFFFAOYSA-N -1 0 332.400 2.822 20 30 EFEDRM COc1ccc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1N ZINC001599533590 997702541 /nfs/dbraw/zinc/70/25/41/997702541.db2.gz GYDVXYLDYCFCGA-UHFFFAOYSA-N -1 0 340.335 2.513 20 30 EFEDRM C[C@]1(NC(=O)c2ccc3c(C#N)c[nH]c3c2)CCCC[C@H]1C(=O)[O-] ZINC001594055449 997784296 /nfs/dbraw/zinc/78/42/96/997784296.db2.gz BQJNXPADYCSHQA-KSSFIOAISA-N -1 0 325.368 2.803 20 30 EFEDRM COc1c(Cl)cccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599333899 997797486 /nfs/dbraw/zinc/79/74/86/997797486.db2.gz BRPVUKQJRHWIFL-UHFFFAOYSA-N -1 0 337.763 2.571 20 30 EFEDRM COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)cc1C ZINC001599436296 997852364 /nfs/dbraw/zinc/85/23/64/997852364.db2.gz ZXGQDODHRPRUEK-UHFFFAOYSA-N -1 0 331.372 2.534 20 30 EFEDRM COc1cc(NC(=O)NCCCCCCC(=O)[O-])c(F)cc1C#N ZINC001599439185 997902665 /nfs/dbraw/zinc/90/26/65/997902665.db2.gz FUYHBZNRIXDUAL-UHFFFAOYSA-N -1 0 337.351 2.863 20 30 EFEDRM CO[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599129995 997925184 /nfs/dbraw/zinc/92/51/84/997925184.db2.gz HAMPXNHQBRYARL-GDBMZVCRSA-N -1 0 341.329 2.621 20 30 EFEDRM COC(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1C(=O)[O-] ZINC001598941763 997986257 /nfs/dbraw/zinc/98/62/57/997986257.db2.gz BBJZBJJZMHQPPB-GOSISDBHSA-N -1 0 342.351 2.584 20 30 EFEDRM COc1cc(OC(=O)Cc2ccccc2CC#N)ccc1C(=O)[O-] ZINC001599445092 997995399 /nfs/dbraw/zinc/99/53/99/997995399.db2.gz AFWJZLBNWYKYOR-UHFFFAOYSA-N -1 0 325.320 2.608 20 30 EFEDRM COc1ccc(C[C@@H](C)CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001599551446 998013921 /nfs/dbraw/zinc/01/39/21/998013921.db2.gz SGQVSPHKPFEKKU-GFCCVEGCSA-N -1 0 325.368 2.951 20 30 EFEDRM COc1cc(C#N)ccc1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599347427 998032521 /nfs/dbraw/zinc/03/25/21/998032521.db2.gz GYYNXFLRDILSOR-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599348000 998042452 /nfs/dbraw/zinc/04/24/52/998042452.db2.gz OZTODVLFIJDLHH-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599349033 998061064 /nfs/dbraw/zinc/06/10/64/998061064.db2.gz GKSPCMMKTYPCGT-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM COc1cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])ccc1C#N ZINC001599350723 998087794 /nfs/dbraw/zinc/08/77/94/998087794.db2.gz PZGYNNJEXZUKGS-UHFFFAOYSA-N -1 0 332.400 2.776 20 30 EFEDRM COC(=O)c1cc(NN=C(C)c2ncc(C(=O)[O-])s2)ccc1C ZINC001598949069 998114073 /nfs/dbraw/zinc/11/40/73/998114073.db2.gz RBRMVJZHFGVPBT-UHFFFAOYSA-N -1 0 333.369 2.772 20 30 EFEDRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1C#N ZINC001599352551 998120313 /nfs/dbraw/zinc/12/03/13/998120313.db2.gz QBEJRXDRMXWULD-QGZVFWFLSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001599558780 998147149 /nfs/dbraw/zinc/14/71/49/998147149.db2.gz JYGYXXWLPRNKCJ-UHFFFAOYSA-N -1 0 326.352 2.667 20 30 EFEDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)cc1 ZINC001599256753 998317177 /nfs/dbraw/zinc/31/71/77/998317177.db2.gz UZHVUUOQWQHAIU-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM COCCOc1ccc(C=NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599257987 998335726 /nfs/dbraw/zinc/33/57/26/998335726.db2.gz GZXFWJAZEINIIW-UHFFFAOYSA-N -1 0 328.368 2.785 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C#N)c(F)c2)cc1C(=O)[O-] ZINC001599570219 998351834 /nfs/dbraw/zinc/35/18/34/998351834.db2.gz WQFFDZKXJYCRCW-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(CNc2cc(F)c(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599573525 998405315 /nfs/dbraw/zinc/40/53/15/998405315.db2.gz BGODSODGYRTZIA-UHFFFAOYSA-N -1 0 345.286 2.924 20 30 EFEDRM COc1ccc(-c2nc(CN(CC#N)CCC(=O)[O-])cs2)cc1 ZINC001599470078 998435693 /nfs/dbraw/zinc/43/56/93/998435693.db2.gz VBRNBSPYPMXQNZ-UHFFFAOYSA-N -1 0 331.397 2.619 20 30 EFEDRM COc1ccc(Cn2cc(Nc3ccc(C(=O)[O-])nc3C#N)cn2)cc1 ZINC001599579399 998502483 /nfs/dbraw/zinc/50/24/83/998502483.db2.gz ARCQOZKRZKKJKB-UHFFFAOYSA-N -1 0 349.350 2.648 20 30 EFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001594155635 998563123 /nfs/dbraw/zinc/56/31/23/998563123.db2.gz DEAZMJCEQMZBFF-VXNVDRBHSA-N -1 0 327.167 2.800 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC001598983079 998676284 /nfs/dbraw/zinc/67/62/84/998676284.db2.gz AWPVXNCZMURITR-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1ccccc1C#N ZINC001599026840 999022565 /nfs/dbraw/zinc/02/25/65/999022565.db2.gz OWJVLYLCDLMYBC-QGZVFWFLSA-N -1 0 327.336 2.788 20 30 EFEDRM CO[C@H](C(=O)[O-])c1ccccc1OCCCC1(C#N)CCOCC1 ZINC001599028324 999031812 /nfs/dbraw/zinc/03/18/12/999031812.db2.gz ZNYRNQUXVGECTK-INIZCTEOSA-N -1 0 333.384 2.938 20 30 EFEDRM CO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CCCCC1 ZINC001599030316 999045822 /nfs/dbraw/zinc/04/58/22/999045822.db2.gz SVUUVATWTGGKJT-HZPDHXFCSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C(=O)[O-])C1 ZINC001594406835 999524509 /nfs/dbraw/zinc/52/45/09/999524509.db2.gz GQXIZRAHROJPRO-IAQYHMDHSA-N -1 0 339.351 2.539 20 30 EFEDRM C=CC[C@@H](Oc1nc(I)cc(=O)[n-]1)C(C)C ZINC001228950496 1104228589 /nfs/dbraw/zinc/22/85/89/1104228589.db2.gz ODUUMMQZHMAREI-MRVPVSSYSA-N -1 0 334.157 2.766 20 30 EFEDRM C#C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001573463792 1087794666 /nfs/dbraw/zinc/79/46/66/1087794666.db2.gz BGOHYNCMDSNTIQ-CYBMUJFWSA-N -1 0 333.185 2.940 20 30 EFEDRM C#CC[C@H](NC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC001573464018 1087795670 /nfs/dbraw/zinc/79/56/70/1087795670.db2.gz XEDBUCTUTNFVHR-ROUUACIJSA-N -1 0 336.391 2.919 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC001574790752 1088098563 /nfs/dbraw/zinc/09/85/63/1088098563.db2.gz WZHJOXHQJQRILC-INIZCTEOSA-N -1 0 333.347 2.638 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001574797189 1088103074 /nfs/dbraw/zinc/10/30/74/1088103074.db2.gz XVEMGXJXPNRSNU-UHFFFAOYSA-N -1 0 332.319 2.899 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001574797140 1088103142 /nfs/dbraw/zinc/10/31/42/1088103142.db2.gz HIVSXBGOIQUFOR-ROUUACIJSA-N -1 0 349.390 2.713 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@](C)(CC)C1 ZINC001646701630 1088112085 /nfs/dbraw/zinc/11/20/85/1088112085.db2.gz QCXOQECEDAQVDU-QGZVFWFLSA-N -1 0 326.404 2.564 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(CC#N)cc2)n[nH]c1C(F)(F)F ZINC001647114004 1088932780 /nfs/dbraw/zinc/93/27/80/1088932780.db2.gz HRJWDAPFRBOCJU-UHFFFAOYSA-N -1 0 344.318 2.604 20 30 EFEDRM CCc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC001647145456 1088989537 /nfs/dbraw/zinc/98/95/37/1088989537.db2.gz XJHKSFLMFMDCRF-UHFFFAOYSA-N -1 0 346.408 2.749 20 30 EFEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)nn1 ZINC001647200860 1089077055 /nfs/dbraw/zinc/07/70/55/1089077055.db2.gz YOJOONLGQLRTIV-UHFFFAOYSA-N -1 0 330.413 2.641 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC2(C(F)(F)F)CCC2)cc1C#N ZINC001647635546 1089659254 /nfs/dbraw/zinc/65/92/54/1089659254.db2.gz JXLHQNCWZLCLPO-UHFFFAOYSA-N -1 0 331.319 2.596 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@@H](C)CCSC ZINC001647703895 1089801296 /nfs/dbraw/zinc/80/12/96/1089801296.db2.gz XNWLEXWIFHCJOC-NSHDSACASA-N -1 0 346.460 2.515 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001647724006 1089861126 /nfs/dbraw/zinc/86/11/26/1089861126.db2.gz VVRVJQXMBCNCJF-BMFZPTHFSA-N -1 0 329.400 2.926 20 30 EFEDRM COc1cc(C#N)ccc1Oc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001579890076 1090716526 /nfs/dbraw/zinc/71/65/26/1090716526.db2.gz LQPNSMNYKFZAIQ-UHFFFAOYSA-N -1 0 334.748 2.649 20 30 EFEDRM N#Cc1ncc(SCc2cccc3ccccc32)nc1-c1nnn[n-]1 ZINC001581885344 1091331902 /nfs/dbraw/zinc/33/19/02/1091331902.db2.gz XGRREWYCOVLEHE-UHFFFAOYSA-N -1 0 345.391 2.974 20 30 EFEDRM N#CC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC001583570438 1092042636 /nfs/dbraw/zinc/04/26/36/1092042636.db2.gz FIBUGCRRDLFIAM-ZDUSSCGKSA-N -1 0 336.330 2.642 20 30 EFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(F)c2[O-])n1 ZINC001584713679 1092258308 /nfs/dbraw/zinc/25/83/08/1092258308.db2.gz UGSHJOUILYTFBU-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000835141039 1092407686 /nfs/dbraw/zinc/40/76/86/1092407686.db2.gz BEAUJRCRHLBWDU-UHFFFAOYSA-N -1 0 340.832 2.843 20 30 EFEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)sc1C ZINC001649690340 1092583246 /nfs/dbraw/zinc/58/32/46/1092583246.db2.gz RQIFDESUVMCNPS-UHFFFAOYSA-N -1 0 348.449 2.999 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(F)F)cc1 ZINC001649694624 1092590880 /nfs/dbraw/zinc/59/08/80/1092590880.db2.gz MMKHVLRYRPXVCJ-UHFFFAOYSA-N -1 0 336.319 2.615 20 30 EFEDRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001649704506 1092604385 /nfs/dbraw/zinc/60/43/85/1092604385.db2.gz JYQSTSKVAMVIDO-AWEZNQCLSA-N -1 0 334.441 2.970 20 30 EFEDRM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001649727470 1092627934 /nfs/dbraw/zinc/62/79/34/1092627934.db2.gz OATQPHBSSFMPIQ-UHFFFAOYSA-N -1 0 348.449 2.756 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc(-c3nn[nH]n3)c12 ZINC001588456760 1092946985 /nfs/dbraw/zinc/94/69/85/1092946985.db2.gz UVCRKVBBENXJBJ-TXEJJXNPSA-N -1 0 334.383 2.671 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC001588486572 1092949381 /nfs/dbraw/zinc/94/93/81/1092949381.db2.gz GBARHKDQRTYMNG-UHFFFAOYSA-N -1 0 327.432 2.908 20 30 EFEDRM C=C[C@H](C(=O)N(C)CCc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588467097 1092950697 /nfs/dbraw/zinc/95/06/97/1092950697.db2.gz CCZOLABZLKDQLN-SFHVURJKSA-N -1 0 347.422 2.837 20 30 EFEDRM C=C[C@@H](CC)CC(=O)NCc1ccc(SC)c(-c2nn[nH]n2)c1 ZINC001588522775 1092951622 /nfs/dbraw/zinc/95/16/22/1092951622.db2.gz FTRBJXPOKZTEIF-NSHDSACASA-N -1 0 331.445 2.807 20 30 EFEDRM C=C[C@H](CC)CC(=O)NCc1ccc(SC)c(-c2nn[nH]n2)c1 ZINC001588522774 1092953725 /nfs/dbraw/zinc/95/37/25/1092953725.db2.gz FTRBJXPOKZTEIF-LLVKDONJSA-N -1 0 331.445 2.807 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001588541308 1092954431 /nfs/dbraw/zinc/95/44/31/1092954431.db2.gz LXCSMAMJPAZZIF-AWEZNQCLSA-N -1 0 329.379 2.508 20 30 EFEDRM C=CC[C@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC001588541764 1092954533 /nfs/dbraw/zinc/95/45/33/1092954533.db2.gz RVIONWAQNFGSRJ-BBRMVZONSA-N -1 0 343.431 2.741 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001588539367 1092954701 /nfs/dbraw/zinc/95/47/01/1092954701.db2.gz ISCOHYMLIGXSKT-HNNXBMFYSA-N -1 0 340.431 2.756 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C ZINC001588541765 1092954996 /nfs/dbraw/zinc/95/49/96/1092954996.db2.gz RVIONWAQNFGSRJ-CJNGLKHVSA-N -1 0 343.431 2.741 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001588541290 1092955413 /nfs/dbraw/zinc/95/54/13/1092955413.db2.gz LPNIXTUSQHNYEN-AWEZNQCLSA-N -1 0 331.395 2.754 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588552810 1092957804 /nfs/dbraw/zinc/95/78/04/1092957804.db2.gz ATCVHLBNJYPHJU-SBDDDAINSA-N -1 0 329.805 2.650 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)[O-] ZINC001588552809 1092958877 /nfs/dbraw/zinc/95/88/77/1092958877.db2.gz ATCVHLBNJYPHJU-MEJMFZKBSA-N -1 0 329.805 2.650 20 30 EFEDRM C=CCCCNC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588600414 1092966416 /nfs/dbraw/zinc/96/64/16/1092966416.db2.gz AAWMZXJQMGRVEP-UHFFFAOYSA-N -1 0 338.415 2.632 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588603237 1092966970 /nfs/dbraw/zinc/96/69/70/1092966970.db2.gz IXBXSZGPIMRLSM-UHFFFAOYSA-N -1 0 339.355 2.610 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001588653549 1092974727 /nfs/dbraw/zinc/97/47/27/1092974727.db2.gz LVVLYFCVPZIMMD-UHFFFAOYSA-N -1 0 337.358 2.834 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001588653389 1092975043 /nfs/dbraw/zinc/97/50/43/1092975043.db2.gz GBERUSQQBWZMEV-UHFFFAOYSA-N -1 0 348.410 2.765 20 30 EFEDRM C=CCN(Cc1noc(C(C)C)n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588652282 1092975418 /nfs/dbraw/zinc/97/54/18/1092975418.db2.gz RCKUFMPPVYBXFR-UHFFFAOYSA-N -1 0 339.403 2.561 20 30 EFEDRM C=Cn1cc(C=NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cn1 ZINC001588737561 1092983058 /nfs/dbraw/zinc/98/30/58/1092983058.db2.gz GHEMBFMRXZUCTF-UHFFFAOYSA-N -1 0 348.292 2.629 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)o2)s1 ZINC001589232626 1093054130 /nfs/dbraw/zinc/05/41/30/1093054130.db2.gz WGUGJEIXMDQCPR-MRVPVSSYSA-N -1 0 342.384 2.704 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)o2)o1 ZINC001589237834 1093055118 /nfs/dbraw/zinc/05/51/18/1093055118.db2.gz FYJSZURWYJQFAW-UHFFFAOYSA-N -1 0 335.755 2.845 20 30 EFEDRM COCc1ccc(COC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC001650242464 1093061394 /nfs/dbraw/zinc/06/13/94/1093061394.db2.gz WYFJEJNJXLXITB-UHFFFAOYSA-N -1 0 344.392 2.884 20 30 EFEDRM C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc(C2CC2)c1 ZINC001589987047 1093210891 /nfs/dbraw/zinc/21/08/91/1093210891.db2.gz BURIDYLFHQXSIT-SNVBAGLBSA-N -1 0 332.371 2.579 20 30 EFEDRM CC[C@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001590409578 1093407909 /nfs/dbraw/zinc/40/79/09/1093407909.db2.gz LVPRBSRXBCBAMD-SMDDNHRTSA-N -1 0 337.387 2.688 20 30 EFEDRM N#CC[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC001125677806 1093433439 /nfs/dbraw/zinc/43/34/39/1093433439.db2.gz CVQLGIODLBGUQD-HNNXBMFYSA-N -1 0 334.335 2.666 20 30 EFEDRM CCC[C@H]1CCCC[C@@H]1CNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590569291 1093493050 /nfs/dbraw/zinc/49/30/50/1093493050.db2.gz KLOYVBSNFOFYOE-NWDGAFQWSA-N -1 0 326.408 2.547 20 30 EFEDRM CCCCCCN(O)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001590594666 1093505141 /nfs/dbraw/zinc/50/51/41/1093505141.db2.gz QZCSGKLRMHQFLL-UHFFFAOYSA-N -1 0 325.319 2.557 20 30 EFEDRM CCOc1ccccc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001590842779 1093594459 /nfs/dbraw/zinc/59/44/59/1093594459.db2.gz LIRAOKNBYTUPPV-UHFFFAOYSA-N -1 0 341.375 2.823 20 30 EFEDRM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2Cl)cn1 ZINC001590949689 1093639141 /nfs/dbraw/zinc/63/91/41/1093639141.db2.gz LQRHPOGXVOXIQJ-GQCTYLIASA-N -1 0 346.753 2.772 20 30 EFEDRM CO[C@@H](CN=Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1 ZINC001591325915 1093692496 /nfs/dbraw/zinc/69/24/96/1093692496.db2.gz CJYVPNVQQMJNCI-LBPRGKRZSA-N -1 0 340.309 2.708 20 30 EFEDRM COCC[C@@H]1CCCC1N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001591402560 1093716785 /nfs/dbraw/zinc/71/67/85/1093716785.db2.gz KXNRVEVTLGIUKC-NSHDSACASA-N -1 0 347.423 2.658 20 30 EFEDRM COCC[C@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001591403329 1093717095 /nfs/dbraw/zinc/71/70/95/1093717095.db2.gz ZYYGAVLRANOGLS-SNVBAGLBSA-N -1 0 333.396 2.583 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1 ZINC001591508654 1093745052 /nfs/dbraw/zinc/74/50/52/1093745052.db2.gz BGTATYXRMSWFOK-UHFFFAOYSA-N -1 0 348.366 2.616 20 30 EFEDRM CSc1ccc(CSc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001591714732 1093839914 /nfs/dbraw/zinc/83/99/14/1093839914.db2.gz DFBKAIOBBBCGNQ-UHFFFAOYSA-N -1 0 341.425 2.543 20 30 EFEDRM Cc1cc(C)n(N=Cc2ccc(C3CCC3)cc2)c(=O)c1-c1nnn[n-]1 ZINC001591956776 1093932234 /nfs/dbraw/zinc/93/22/34/1093932234.db2.gz KDHCALJRBQTRPR-UHFFFAOYSA-N -1 0 348.410 2.795 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1C#N ZINC001591958894 1093932738 /nfs/dbraw/zinc/93/27/38/1093932738.db2.gz RVWGZXSRWMGYAV-UHFFFAOYSA-N -1 0 336.359 2.604 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001592113070 1093984543 /nfs/dbraw/zinc/98/45/43/1093984543.db2.gz DLJLRXVFGNOAIR-LBPRGKRZSA-N -1 0 332.367 2.538 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001592113461 1093985173 /nfs/dbraw/zinc/98/51/73/1093985173.db2.gz NKFQQFIBYFONHY-LBPRGKRZSA-N -1 0 332.367 2.538 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C#N ZINC001592132474 1093990821 /nfs/dbraw/zinc/99/08/21/1093990821.db2.gz JRLVWZBKICBQEE-LBPRGKRZSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1C/C=C/c1ccc(Cl)cc1 ZINC001592335159 1094079256 /nfs/dbraw/zinc/07/92/56/1094079256.db2.gz MTNABTYJKSZDNK-NSCUHMNNSA-N -1 0 325.763 2.610 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1CCc1cccc(Cl)c1Cl ZINC001592334944 1094080422 /nfs/dbraw/zinc/08/04/22/1094080422.db2.gz IQNRLHSUWPNEHC-UHFFFAOYSA-N -1 0 348.197 2.793 20 30 EFEDRM Cc1oc(-c2nn[nH]n2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC001592494930 1094111995 /nfs/dbraw/zinc/11/19/95/1094111995.db2.gz GHARYULGROJRPN-SNVBAGLBSA-N -1 0 342.384 2.838 20 30 EFEDRM N#Cc1ncc(Oc2ccc(Cl)cc2Cl)nc1-c1nnn[n-]1 ZINC001592708865 1094183055 /nfs/dbraw/zinc/18/30/55/1094183055.db2.gz WRKGAQASJVWBKO-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM O=C([O-])c1cccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001593283155 1094265012 /nfs/dbraw/zinc/26/50/12/1094265012.db2.gz MKOLMNWTRKUZTN-VOTSOKGWSA-N -1 0 338.298 2.600 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)/C=C(/C)c1ccccc1OC(F)F ZINC000588592912 1094294705 /nfs/dbraw/zinc/29/47/05/1094294705.db2.gz VWDGSAWPGIZUNQ-LUAWRHEFSA-N -1 0 325.311 2.791 20 30 EFEDRM CCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C2CC2)n1 ZINC001597880451 1094635921 /nfs/dbraw/zinc/63/59/21/1094635921.db2.gz VJXMLWZFTRAXIE-INIZCTEOSA-N -1 0 339.351 2.635 20 30 EFEDRM CCn1cc(C=NNc2cc(C(=O)[O-])ccc2Br)cn1 ZINC001597879652 1094636288 /nfs/dbraw/zinc/63/62/88/1094636288.db2.gz CLASCDJANKTHFV-UHFFFAOYSA-N -1 0 337.177 2.810 20 30 EFEDRM Cc1c(C(=O)[O-])ccc(Cl)c1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC001599996198 1094708484 /nfs/dbraw/zinc/70/84/84/1094708484.db2.gz CIKIJLQGBDKVHC-INIZCTEOSA-N -1 0 337.807 2.813 20 30 EFEDRM Cc1c2cc(C(=O)/C=C/c3cnn(C)c3)cnc2sc1C(=O)[O-] ZINC001600004873 1094713218 /nfs/dbraw/zinc/71/32/18/1094713218.db2.gz FZXMNTZSZQSJFK-ONEGZZNKSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1c(Cl)cnc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1C#N ZINC001600018062 1094724244 /nfs/dbraw/zinc/72/42/44/1094724244.db2.gz UVKLMPJVQADOSB-LLVKDONJSA-N -1 0 331.763 2.757 20 30 EFEDRM Cc1c(NC(=O)c2c[nH]c(C#N)c2)cc(Br)cc1C(=O)[O-] ZINC001600045288 1094739440 /nfs/dbraw/zinc/73/94/40/1094739440.db2.gz CFZQZFUPDCMKMX-UHFFFAOYSA-N -1 0 348.156 2.908 20 30 EFEDRM Cc1cc(-c2noc([C@H](C)N(CC#N)CCC(=O)[O-])n2)ccc1F ZINC001600062552 1094747893 /nfs/dbraw/zinc/74/78/93/1094747893.db2.gz OYVNENCZKGGELC-NSHDSACASA-N -1 0 332.335 2.545 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001600074633 1094753542 /nfs/dbraw/zinc/75/35/42/1094753542.db2.gz MVIBNWSOMUXHIM-QFBILLFUSA-N -1 0 328.412 2.867 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001600074391 1094754218 /nfs/dbraw/zinc/75/42/18/1094754218.db2.gz BRGYZAGKXAOJCX-APWZRJJASA-N -1 0 326.396 2.573 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001600075948 1094755767 /nfs/dbraw/zinc/75/57/67/1094755767.db2.gz GBKWTDCJZLPFDX-HOTGVXAUSA-N -1 0 335.363 2.692 20 30 EFEDRM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)cc(C)c1OCC(=O)[O-] ZINC001600078394 1094757862 /nfs/dbraw/zinc/75/78/62/1094757862.db2.gz HHGVCUCDLZNZFM-LLVKDONJSA-N -1 0 330.384 2.531 20 30 EFEDRM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc(C)c1C#N ZINC001600084825 1094760605 /nfs/dbraw/zinc/76/06/05/1094760605.db2.gz LYFKDQJAWUYZGQ-SFHVURJKSA-N -1 0 334.375 2.827 20 30 EFEDRM Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)cc(C)c1OCC(=O)[O-] ZINC001600082317 1094760857 /nfs/dbraw/zinc/76/08/57/1094760857.db2.gz TYYFWVYREUEKIR-AWEZNQCLSA-N -1 0 330.384 2.533 20 30 EFEDRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc(C)c1C#N ZINC001600092608 1094766735 /nfs/dbraw/zinc/76/67/35/1094766735.db2.gz XURJKDAXBGPOTH-KRWDZBQOSA-N -1 0 340.354 2.912 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2cccc(CC#N)c2)c1F ZINC001600116723 1094780479 /nfs/dbraw/zinc/78/04/79/1094780479.db2.gz LOLZAWLXRGMZQE-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC001600133339 1094792913 /nfs/dbraw/zinc/79/29/13/1094792913.db2.gz YRBBMBKPHOMGIX-UHFFFAOYSA-N -1 0 337.382 2.919 20 30 EFEDRM Cc1cc2c[nH]nc2c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001600133979 1094793818 /nfs/dbraw/zinc/79/38/18/1094793818.db2.gz CJURYYUHFSAWGL-INIZCTEOSA-N -1 0 335.319 2.726 20 30 EFEDRM Cc1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(N)cc1F ZINC001600137687 1094796283 /nfs/dbraw/zinc/79/62/83/1094796283.db2.gz AGJLWHFDXKKZOH-UHFFFAOYSA-N -1 0 328.299 2.643 20 30 EFEDRM Cc1cc(C(=O)O[C@H]2C[C@](C(=O)[O-])(c3ccccc3)C2)ncc1C#N ZINC001600139685 1094797867 /nfs/dbraw/zinc/79/78/67/1094797867.db2.gz NINOPVUTGCIYQM-GLRZTSSQSA-N -1 0 336.347 2.604 20 30 EFEDRM Cc1cc(C)c(/C=C/C=C\C(=O)c2cn(CC(=O)[O-])nn2)c(C)c1 ZINC001600159725 1094824339 /nfs/dbraw/zinc/82/43/39/1094824339.db2.gz FJNCHOLERHSSMS-GUBXDBFYSA-N -1 0 325.368 2.740 20 30 EFEDRM Cc1cc(C)cc([C@H](NC(=O)c2sccc2CC#N)C(=O)[O-])c1 ZINC001600167742 1094833690 /nfs/dbraw/zinc/83/36/90/1094833690.db2.gz ICPOGXVBAQZRAV-AWEZNQCLSA-N -1 0 328.393 2.987 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc(F)c(C#N)c2)C(=O)[O-])c1 ZINC001600169867 1094836913 /nfs/dbraw/zinc/83/69/13/1094836913.db2.gz SOQMJCPJTUONQG-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(CON=C(N)COc2cccc(C(=O)[O-])c2)ccc1C#N ZINC001600215356 1094892416 /nfs/dbraw/zinc/89/24/16/1094892416.db2.gz UIZUXRXSRPEONN-UHFFFAOYSA-N -1 0 339.351 2.642 20 30 EFEDRM Cc1cc(F)c(C#N)cc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001600224299 1094900913 /nfs/dbraw/zinc/90/09/13/1094900913.db2.gz WJDYZMCBSOOBIZ-LBPRGKRZSA-N -1 0 331.347 2.724 20 30 EFEDRM Cc1cc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)ncc1C#N ZINC001600241158 1094910785 /nfs/dbraw/zinc/91/07/85/1094910785.db2.gz VNFBDTOBUUIWNT-CQSZACIVSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C#N)cc1N(C)C ZINC001600275294 1094936962 /nfs/dbraw/zinc/93/69/62/1094936962.db2.gz KIELYEZMIDUDFL-FNORWQNLSA-N -1 0 339.351 2.876 20 30 EFEDRM Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C(=O)[O-])[nH]1 ZINC001600277508 1094938582 /nfs/dbraw/zinc/93/85/82/1094938582.db2.gz VEVKDMVOUWCKIR-UHFFFAOYSA-N -1 0 338.245 2.559 20 30 EFEDRM Cc1cc(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)nn1CCC#N ZINC001600281802 1094941638 /nfs/dbraw/zinc/94/16/38/1094941638.db2.gz BGHZSYUVFCXFBK-UHFFFAOYSA-N -1 0 349.297 2.726 20 30 EFEDRM Cc1cc(OS(=O)(=O)CC2(C#N)CCCCC2)c(C(=O)[O-])s1 ZINC001600291468 1094948991 /nfs/dbraw/zinc/94/89/91/1094948991.db2.gz ADZCBOKWGGDKPJ-UHFFFAOYSA-N -1 0 343.426 2.937 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NCCOc1ccc(C#N)cc1 ZINC001600291213 1094949365 /nfs/dbraw/zinc/94/93/65/1094949365.db2.gz MBBXVIATJWJUQM-UHFFFAOYSA-N -1 0 326.352 2.821 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cccc(C)c2C#N)c(C(=O)[O-])s1 ZINC001600292627 1094950844 /nfs/dbraw/zinc/95/08/44/1094950844.db2.gz XWRTZTKFMSOXCH-UHFFFAOYSA-N -1 0 337.378 2.703 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccccc2C(=O)[O-])c(C)c(C)c1C#N ZINC001600292482 1094951568 /nfs/dbraw/zinc/95/15/68/1094951568.db2.gz POJNRUPIVDTRGO-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2cc(Cl)cc(C#N)c2)oc1C(=O)[O-] ZINC001600300859 1094953199 /nfs/dbraw/zinc/95/31/99/1094953199.db2.gz LGBOQBUFDMEOHN-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001600328569 1094975688 /nfs/dbraw/zinc/97/56/88/1094975688.db2.gz BEQUDTZXXNNQNM-BOLDSZDNSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1C#N ZINC001600338957 1094984077 /nfs/dbraw/zinc/98/40/77/1094984077.db2.gz ZHSIOCXTDPMDDL-INIZCTEOSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1C(=O)[O-] ZINC001600340383 1094984413 /nfs/dbraw/zinc/98/44/13/1094984413.db2.gz XEMUZZCKKHEJHE-UHFFFAOYSA-N -1 0 330.290 2.773 20 30 EFEDRM Cc1ccc(C(=O)[O-])c2c1CCCN2C(=O)c1ccc(C#N)c(C)n1 ZINC001600346592 1094989610 /nfs/dbraw/zinc/98/96/10/1094989610.db2.gz LTFLKWBPJUNFRF-UHFFFAOYSA-N -1 0 335.363 2.861 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C)(C#N)CC1 ZINC001600353284 1094993969 /nfs/dbraw/zinc/99/39/69/1094993969.db2.gz WJEPWZVSSXXMSX-CYBMUJFWSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1nc(C#N)cs1 ZINC001600357520 1094998963 /nfs/dbraw/zinc/99/89/63/1094998963.db2.gz FSHOGNAEAHOVBZ-UHFFFAOYSA-N -1 0 347.421 2.893 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1cccc(CC#N)c1 ZINC001600361651 1095001599 /nfs/dbraw/zinc/00/15/99/1095001599.db2.gz QPSVSNLYZSJHCO-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)Cc1ccc(F)cc1C#N ZINC001600361699 1095004032 /nfs/dbraw/zinc/00/40/32/1095004032.db2.gz ULIWQHOJEQKTKS-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)cc1 ZINC001600372872 1095011651 /nfs/dbraw/zinc/01/16/51/1095011651.db2.gz UUCAXDHPUZMCBM-MRXNPFEDSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CNc2ccc(C#N)cc2)cc1 ZINC001600374884 1095014473 /nfs/dbraw/zinc/01/44/73/1095014473.db2.gz URAXSEWFAJEFKI-KRWDZBQOSA-N -1 0 337.379 2.611 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2F)C(=O)[O-])cc1 ZINC001600379795 1095019228 /nfs/dbraw/zinc/01/92/28/1095019228.db2.gz MGGDLVXHEAMBSI-CQSZACIVSA-N -1 0 341.342 2.996 20 30 EFEDRM Cc1ccc([C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001600385221 1095024523 /nfs/dbraw/zinc/02/45/23/1095024523.db2.gz NRVKCMWHZZRUQK-QGZVFWFLSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1ccc(C2=NO[C@H](CNc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600394880 1095031526 /nfs/dbraw/zinc/03/15/26/1095031526.db2.gz ATCDLQPPUFXGJT-ZDUSSCGKSA-N -1 0 336.351 2.565 20 30 EFEDRM Cc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)c(Cl)n1 ZINC001600401182 1095036150 /nfs/dbraw/zinc/03/61/50/1095036150.db2.gz NWWUUGKBCNNBJR-UHFFFAOYSA-N -1 0 344.754 2.899 20 30 EFEDRM Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600413463 1095045846 /nfs/dbraw/zinc/04/58/46/1095045846.db2.gz XRRMWSHWCYPJEV-OAHLLOKOSA-N -1 0 336.395 2.646 20 30 EFEDRM Cc1ccc(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1C#N ZINC001600416614 1095048822 /nfs/dbraw/zinc/04/88/22/1095048822.db2.gz FJCOJMPSPNFDMU-VQIMIIECSA-N -1 0 341.411 2.653 20 30 EFEDRM Cc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C#N ZINC001600417229 1095049848 /nfs/dbraw/zinc/04/98/48/1095049848.db2.gz DYSUXCWMVGFAMW-UHFFFAOYSA-N -1 0 341.342 2.955 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cccn2CC(=O)[O-])cc1C ZINC001600458617 1095084266 /nfs/dbraw/zinc/08/42/66/1095084266.db2.gz RKDJQQUVUDHVKR-UHFFFAOYSA-N -1 0 330.413 2.510 20 30 EFEDRM Cc1ccc(NN=Cc2cn(C)nc2-c2ccncc2)cc1C(=O)[O-] ZINC001600463437 1095086576 /nfs/dbraw/zinc/08/65/76/1095086576.db2.gz YIQVUXXYRCJHSY-UHFFFAOYSA-N -1 0 335.367 2.935 20 30 EFEDRM Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001600479116 1095097907 /nfs/dbraw/zinc/09/79/07/1095097907.db2.gz KSOMLIJXXOGRCJ-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1c(/C=C2/COc3ccc(C)c(C)c3C2=O)c(C(=O)[O-])nn1C ZINC001600500915 1095116519 /nfs/dbraw/zinc/11/65/19/1095116519.db2.gz YNYZJBJYCOUUCP-GHXNOFRVSA-N -1 0 326.352 2.702 20 30 EFEDRM Cc1cccc([C@@H](OC(=O)COc2ccc(C#N)cc2)C(=O)[O-])c1C ZINC001600519533 1095130187 /nfs/dbraw/zinc/13/01/87/1095130187.db2.gz JGAPRTGNTJWIMJ-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cccc([C@H](CC(=O)[O-])/N=C/c2c(O)c(C)ncc2CO)c1 ZINC001600518884 1095130196 /nfs/dbraw/zinc/13/01/96/1095130196.db2.gz VCNIZMCGASVZHW-FCASDWRQSA-N -1 0 328.368 2.531 20 30 EFEDRM Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001600551568 1095156306 /nfs/dbraw/zinc/15/63/06/1095156306.db2.gz TUGCRUYPNFZVQO-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)/C=C\c1ccccc1C#N ZINC001600554816 1095159942 /nfs/dbraw/zinc/15/99/42/1095159942.db2.gz IOYRUMVWZZIACG-HJCTWCACSA-N -1 0 332.359 2.922 20 30 EFEDRM Cc1ccccc1-c1noc([C@H](C)N2CCC(C#N)(C(=O)[O-])CC2)n1 ZINC001600562591 1095166156 /nfs/dbraw/zinc/16/61/56/1095166156.db2.gz VKYREZABIXOWRB-ZDUSSCGKSA-N -1 0 340.383 2.796 20 30 EFEDRM Cc1cnc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001600620383 1095214525 /nfs/dbraw/zinc/21/45/25/1095214525.db2.gz LZDZMUXOBTUYBD-INIZCTEOSA-N -1 0 328.324 2.547 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)OC(=O)C#CC(C)(C)C ZINC001600648760 1095234853 /nfs/dbraw/zinc/23/48/53/1095234853.db2.gz NHFJZAWMICEING-JTQLQIEISA-N -1 0 337.397 2.674 20 30 EFEDRM Cc1nc(COC(=O)CSc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001600704068 1095275328 /nfs/dbraw/zinc/27/53/28/1095275328.db2.gz JMNLYEUDQHVWSB-UHFFFAOYSA-N -1 0 348.405 2.857 20 30 EFEDRM Cc1nc(N2CCCN(c3ccccc3C#N)CC2)ccc1C(=O)[O-] ZINC001600710301 1095278048 /nfs/dbraw/zinc/27/80/48/1095278048.db2.gz UDLZPEUTIIRXFC-UHFFFAOYSA-N -1 0 336.395 2.677 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C#N ZINC001600761694 1095313926 /nfs/dbraw/zinc/31/39/26/1095313926.db2.gz JTUARUSGUYHKTL-XJKSGUPXSA-N -1 0 338.411 2.595 20 30 EFEDRM Cc1nn(-c2ccccc2)c(CN2CCC(CC(=O)[O-])CC2)c1C#N ZINC001600762120 1095315435 /nfs/dbraw/zinc/31/54/35/1095315435.db2.gz POQRZQNQGREWMZ-UHFFFAOYSA-N -1 0 338.411 2.739 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC001600786712 1095332772 /nfs/dbraw/zinc/33/27/72/1095332772.db2.gz ACUIWIRXFNQDNC-UHFFFAOYSA-N -1 0 345.334 2.629 20 30 EFEDRM Cc1nn(Cc2ccccc2)c(Cl)c1CN(CC#N)CCC(=O)[O-] ZINC001600790585 1095333791 /nfs/dbraw/zinc/33/37/91/1095333791.db2.gz KWDBOLISQUULDP-UHFFFAOYSA-N -1 0 346.818 2.694 20 30 EFEDRM Cc1nnc(CON=C(CCCCC(=O)[O-])C(F)(F)F)s1 ZINC001600796813 1095337767 /nfs/dbraw/zinc/33/77/67/1095337767.db2.gz YHRMZBVNTHBCTG-UHFFFAOYSA-N -1 0 325.312 2.926 20 30 EFEDRM Cc1nnc(SCC(=O)c2cccc(C(=O)[O-])c2)c(C#N)c1C ZINC001600798789 1095339189 /nfs/dbraw/zinc/33/91/89/1095339189.db2.gz BRWMLHYXNOOADP-UHFFFAOYSA-N -1 0 327.365 2.638 20 30 EFEDRM Cc1nnc(N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(C#N)c1C ZINC001600798717 1095339532 /nfs/dbraw/zinc/33/95/32/1095339532.db2.gz WQOOGWVEWUTANX-BWBHSNQOSA-N -1 0 332.429 2.506 20 30 EFEDRM Cc1nsc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1C#N ZINC001600819356 1095353497 /nfs/dbraw/zinc/35/34/97/1095353497.db2.gz GSZGOJLSPNPTKD-LLVKDONJSA-N -1 0 342.424 2.737 20 30 EFEDRM Cc1oc(-c2cccs2)nc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600821669 1095354915 /nfs/dbraw/zinc/35/49/15/1095354915.db2.gz DLLNJMCONZIPBC-UHFFFAOYSA-N -1 0 331.397 2.902 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001600822850 1095357056 /nfs/dbraw/zinc/35/70/56/1095357056.db2.gz RONJBKYDHVPGBA-OLZOCXBDSA-N -1 0 341.367 2.624 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC001600829053 1095361113 /nfs/dbraw/zinc/36/11/13/1095361113.db2.gz CZPMNMLVJSQJNI-JTQLQIEISA-N -1 0 329.308 2.782 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001600830971 1095364269 /nfs/dbraw/zinc/36/42/69/1095364269.db2.gz XEGPILJBEAIITE-AWEZNQCLSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1oc(C=NN[C@@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC001600837943 1095369694 /nfs/dbraw/zinc/36/96/94/1095369694.db2.gz ICNZOZNUKBUUSD-NSHDSACASA-N -1 0 344.367 2.960 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC001600840530 1095371723 /nfs/dbraw/zinc/37/17/23/1095371723.db2.gz FKIMREVQNZIIEZ-UHFFFAOYSA-N -1 0 341.367 2.694 20 30 EFEDRM Cc1oc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1C(=O)[O-] ZINC001600847485 1095378598 /nfs/dbraw/zinc/37/85/98/1095378598.db2.gz IKAMSSRSHPTCHX-UHFFFAOYSA-N -1 0 344.342 2.891 20 30 EFEDRM Cc1oc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600853414 1095383024 /nfs/dbraw/zinc/38/30/24/1095383024.db2.gz REXNEGKEANNUMG-NSHDSACASA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1oc(COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600853479 1095383416 /nfs/dbraw/zinc/38/34/16/1095383416.db2.gz VADLCPKCEVZZPA-CQSZACIVSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1oc(CON=C(N)c2ccc(NC(C)(C)C)cn2)cc1C(=O)[O-] ZINC001600856062 1095384901 /nfs/dbraw/zinc/38/49/01/1095384901.db2.gz LTZKRQYFQRWABP-UHFFFAOYSA-N -1 0 346.387 2.729 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)COc1ccc(C#N)cc1 ZINC001600875151 1095398480 /nfs/dbraw/zinc/39/84/80/1095398480.db2.gz QZJUMQNOPLKKTO-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM Cc1sc(N2CCC(C#N)(c3ccccn3)CC2)nc1C(=O)[O-] ZINC001600880829 1095403940 /nfs/dbraw/zinc/40/39/40/1095403940.db2.gz QALGMNLNTCVGSL-UHFFFAOYSA-N -1 0 328.397 2.607 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001600898975 1095413550 /nfs/dbraw/zinc/41/35/50/1095413550.db2.gz BJIJWBISYSBUKB-UHFFFAOYSA-N -1 0 349.140 2.577 20 30 EFEDRM Cn1cc(-c2nc(CON=Cc3ccc(C(=O)[O-])cc3)cs2)cn1 ZINC001600923928 1095432381 /nfs/dbraw/zinc/43/23/81/1095432381.db2.gz KXDUDOCHLFDBCO-UHFFFAOYSA-N -1 0 342.380 2.793 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001600927524 1095433348 /nfs/dbraw/zinc/43/33/48/1095433348.db2.gz PMSYCOXFCYBCAE-KRWDZBQOSA-N -1 0 333.347 2.606 20 30 EFEDRM Cn1cc([C@@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2)cn1 ZINC001600938725 1095436478 /nfs/dbraw/zinc/43/64/78/1095436478.db2.gz DFFWZHUJVYUISJ-RBUKOAKNSA-N -1 0 346.390 2.797 20 30 EFEDRM Cn1cc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001600964900 1095448103 /nfs/dbraw/zinc/44/81/03/1095448103.db2.gz PBQQIJOFGOHAFV-OAHLLOKOSA-N -1 0 338.367 2.794 20 30 EFEDRM Cn1nc(Br)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1 ZINC001600999185 1095459934 /nfs/dbraw/zinc/45/99/34/1095459934.db2.gz RMLXIWBSEJXMGM-VOTSOKGWSA-N -1 0 335.157 2.777 20 30 EFEDRM Cn1nc(C(F)(F)F)cc1C=NNc1ccc(CC(=O)[O-])cc1 ZINC001601020740 1095470339 /nfs/dbraw/zinc/47/03/39/1095470339.db2.gz OGRFXRIUCGBPLD-UHFFFAOYSA-N -1 0 326.278 2.512 20 30 EFEDRM Cn1ncc2c1ncnc2N=NC1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001601031184 1095473341 /nfs/dbraw/zinc/47/33/41/1095473341.db2.gz RUFIHQSFODKNOH-NSHDSACASA-N -1 0 330.392 2.576 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)Cc1ccccc1C(=O)[O-] ZINC001601047326 1095477301 /nfs/dbraw/zinc/47/73/01/1095477301.db2.gz MUTPYXGRFZXLIU-QGZVFWFLSA-N -1 0 347.370 2.937 20 30 EFEDRM N#C[C@@H](COC(=O)Cc1cccc(C(=O)[O-])c1)Cc1cccs1 ZINC001601047749 1095478435 /nfs/dbraw/zinc/47/84/35/1095478435.db2.gz CMQKLFMALUVHJY-ZDUSSCGKSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001601047654 1095478489 /nfs/dbraw/zinc/47/84/89/1095478489.db2.gz ACJHFKLXTILRCE-MRXNPFEDSA-N -1 0 326.327 2.838 20 30 EFEDRM N#C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001601047649 1095478585 /nfs/dbraw/zinc/47/85/85/1095478585.db2.gz ACJHFKLXTILRCE-INIZCTEOSA-N -1 0 326.327 2.838 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001601047434 1095478699 /nfs/dbraw/zinc/47/86/99/1095478699.db2.gz PSJKZSPXBRORLJ-UKRRQHHQSA-N -1 0 328.393 2.763 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001601046433 1095478754 /nfs/dbraw/zinc/47/87/54/1095478754.db2.gz UNXBHDLJRUDHBD-DZKIICNBSA-N -1 0 339.391 2.887 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001601048715 1095479581 /nfs/dbraw/zinc/47/95/81/1095479581.db2.gz GUQXJXMQDKWDQJ-OCCSQVGLSA-N -1 0 341.392 2.753 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC001601048951 1095480278 /nfs/dbraw/zinc/48/02/78/1095480278.db2.gz RVKHDKHMHSTDMD-LLVKDONJSA-N -1 0 338.241 2.991 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC001601051580 1095481364 /nfs/dbraw/zinc/48/13/64/1095481364.db2.gz BAWYYCJFQHESGV-UHFFFAOYSA-N -1 0 347.321 2.810 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001601052411 1095481499 /nfs/dbraw/zinc/48/14/99/1095481499.db2.gz PSFLJXNNUVRNPN-UHFFFAOYSA-N -1 0 346.280 2.915 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC001601051936 1095481678 /nfs/dbraw/zinc/48/16/78/1095481678.db2.gz HWSYXNAQVRPBMU-UHFFFAOYSA-N -1 0 325.727 2.701 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001601051413 1095481748 /nfs/dbraw/zinc/48/17/48/1095481748.db2.gz OLJHFRJCYJHYJP-RRFJBIMHSA-N -1 0 333.432 2.745 20 30 EFEDRM N#CC1(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CC2(CC2)C1 ZINC001601050839 1095481768 /nfs/dbraw/zinc/48/17/68/1095481768.db2.gz PSPPOQQPGQPGBF-UHFFFAOYSA-N -1 0 342.380 2.859 20 30 EFEDRM N#C[C@]1(C(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC12CCCC2 ZINC001601053854 1095483273 /nfs/dbraw/zinc/48/32/73/1095483273.db2.gz XBWKUSMWLFAOKD-KRWDZBQOSA-N -1 0 344.323 2.810 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC001601055519 1095483402 /nfs/dbraw/zinc/48/34/02/1095483402.db2.gz MORVRAHCJJYKAV-GHMZBOCLSA-N -1 0 332.322 2.572 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2nc(C(F)F)nc3ccccc32)CC1 ZINC001601054032 1095483507 /nfs/dbraw/zinc/48/35/07/1095483507.db2.gz ZSBKCHVRPHODRP-UHFFFAOYSA-N -1 0 332.310 2.762 20 30 EFEDRM N#CC1(NC(=O)CNc2cccc(Cl)c2C(=O)[O-])CCCCC1 ZINC001601056917 1095484778 /nfs/dbraw/zinc/48/47/78/1095484778.db2.gz FDOBLSGMXYGCHA-UHFFFAOYSA-N -1 0 335.791 2.793 20 30 EFEDRM N#CC1(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCCCC1 ZINC001601055794 1095484974 /nfs/dbraw/zinc/48/49/74/1095484974.db2.gz BHJPDEDWMRSQCP-UHFFFAOYSA-N -1 0 347.371 2.622 20 30 EFEDRM N#CC1(c2ccc(C(=O)OCC(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001601059357 1095485975 /nfs/dbraw/zinc/48/59/75/1095485975.db2.gz ZFHLWYUIYBYLOP-UHFFFAOYSA-N -1 0 349.342 2.980 20 30 EFEDRM N#C[C@@H]1CC[C@H](N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC001601059533 1095486062 /nfs/dbraw/zinc/48/60/62/1095486062.db2.gz GRPHZIGJHDOYNO-COXVUDFISA-N -1 0 347.846 2.776 20 30 EFEDRM N#CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001601060211 1095486234 /nfs/dbraw/zinc/48/62/34/1095486234.db2.gz ADDMVFXCMWVNOR-IRXDYDNUSA-N -1 0 337.379 2.801 20 30 EFEDRM N#CCCCC(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001601066335 1095487977 /nfs/dbraw/zinc/48/79/77/1095487977.db2.gz KUXSUHWSPFQCIV-UHFFFAOYSA-N -1 0 326.146 2.884 20 30 EFEDRM N#CC[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601061446 1095486457 /nfs/dbraw/zinc/48/64/57/1095486457.db2.gz UNTFNYBKNXKFFI-JTDSTZFVSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001601061628 1095486633 /nfs/dbraw/zinc/48/66/33/1095486633.db2.gz YMVYJCUUCMSKMR-CYBMUJFWSA-N -1 0 340.291 2.896 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccc(O)cc3)cc2)CC1 ZINC001601059320 1095486649 /nfs/dbraw/zinc/48/66/49/1095486649.db2.gz YUUCBFYFQXNTKY-MRXNPFEDSA-N -1 0 336.347 2.503 20 30 EFEDRM N#CC[C@@H](NCc1oc(Br)cc1C(=O)[O-])C(F)(F)F ZINC001601062397 1095486775 /nfs/dbraw/zinc/48/67/75/1095486775.db2.gz PPIMABDIXVITTL-SSDOTTSWSA-N -1 0 341.083 2.674 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c2ccccc21 ZINC001601066791 1095487993 /nfs/dbraw/zinc/48/79/93/1095487993.db2.gz LSKPNZSDRXGFQV-GOSISDBHSA-N -1 0 343.358 2.584 20 30 EFEDRM N#CCC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001601066229 1095488298 /nfs/dbraw/zinc/48/82/98/1095488298.db2.gz HZGSFVSKQISFOE-HHARLNAUSA-N -1 0 341.411 2.830 20 30 EFEDRM N#CCCCC(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001601066726 1095488463 /nfs/dbraw/zinc/48/84/63/1095488463.db2.gz PRBDMFUBTUSHHO-LBPRGKRZSA-N -1 0 329.274 2.938 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001601067219 1095489328 /nfs/dbraw/zinc/48/93/28/1095489328.db2.gz SXPYGJNZAXKODF-UHFFFAOYSA-N -1 0 349.412 2.677 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)COc1ccccc1-c1ccccc1 ZINC001601069393 1095489453 /nfs/dbraw/zinc/48/94/53/1095489453.db2.gz CYHXSBGZKYFQAS-UHFFFAOYSA-N -1 0 338.363 2.559 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001601068764 1095489497 /nfs/dbraw/zinc/48/94/97/1095489497.db2.gz POTAGZWSTPEHMI-UHFFFAOYSA-N -1 0 345.380 2.950 20 30 EFEDRM N#CCC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001601067132 1095489869 /nfs/dbraw/zinc/48/98/69/1095489869.db2.gz UHTHTILBXLZRAP-HNNXBMFYSA-N -1 0 344.392 2.708 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001601069969 1095489951 /nfs/dbraw/zinc/48/99/51/1095489951.db2.gz JIVHPNSEEMFUNE-UHFFFAOYSA-N -1 0 332.359 2.527 20 30 EFEDRM N#CCCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601068519 1095489993 /nfs/dbraw/zinc/48/99/93/1095489993.db2.gz DRRSXJUCESWUSH-CLWVCHIJSA-N -1 0 327.384 2.764 20 30 EFEDRM N#CCCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001601068182 1095490005 /nfs/dbraw/zinc/49/00/05/1095490005.db2.gz KSXOPDCAJWFWOY-UHFFFAOYSA-N -1 0 330.365 2.914 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001601070978 1095490043 /nfs/dbraw/zinc/49/00/43/1095490043.db2.gz NQPCDFSUHRBUNY-UHFFFAOYSA-N -1 0 336.338 2.603 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC001601069142 1095490109 /nfs/dbraw/zinc/49/01/09/1095490109.db2.gz ACIDISRBSOJYRB-UHFFFAOYSA-N -1 0 340.166 2.915 20 30 EFEDRM N#CCOc1cccc(OC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001601075697 1095491043 /nfs/dbraw/zinc/49/10/43/1095491043.db2.gz NOVGFIRBQMPNNV-LPHOPBHVSA-N -1 0 337.331 2.753 20 30 EFEDRM N#CCSc1cccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001601075778 1095491210 /nfs/dbraw/zinc/49/12/10/1095491210.db2.gz QFQPZZUODMRRKD-UHFFFAOYSA-N -1 0 346.330 2.781 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001601073557 1095491634 /nfs/dbraw/zinc/49/16/34/1095491634.db2.gz BUMVDTWFEHZNQJ-UHFFFAOYSA-N -1 0 349.362 2.885 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001601075188 1095491681 /nfs/dbraw/zinc/49/16/81/1095491681.db2.gz IFGIIKACXNSGLK-LRDDRELGSA-N -1 0 327.384 2.535 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC001601073948 1095492028 /nfs/dbraw/zinc/49/20/28/1095492028.db2.gz SDQRVTKQYCQTPE-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001601076666 1095492727 /nfs/dbraw/zinc/49/27/27/1095492727.db2.gz XNFFROXXHXLTQM-CVEARBPZSA-N -1 0 336.347 2.632 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001601076831 1095492749 /nfs/dbraw/zinc/49/27/49/1095492749.db2.gz VYRQUHNCDYGRSE-GFCCVEGCSA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCc1cccc2c1CCN(Cn1nc(C(=O)[O-])c3ccccc31)C2 ZINC001601077950 1095492883 /nfs/dbraw/zinc/49/28/83/1095492883.db2.gz LEYLCGSJVRJAAZ-UHFFFAOYSA-N -1 0 346.390 2.816 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1ccsc1CC(=O)[O-])C2 ZINC001601078341 1095493296 /nfs/dbraw/zinc/49/32/96/1095493296.db2.gz UGLDDQKYIIUIIA-UHFFFAOYSA-N -1 0 340.404 2.640 20 30 EFEDRM N#CCc1ccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001601076833 1095493515 /nfs/dbraw/zinc/49/35/15/1095493515.db2.gz VYXSZWDBWMZPSA-UHFFFAOYSA-N -1 0 347.374 2.791 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc2)cc1 ZINC001601077364 1095493542 /nfs/dbraw/zinc/49/35/42/1095493542.db2.gz ZOZZPOKVTWZGFG-INIZCTEOSA-N -1 0 342.326 2.697 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601080613 1095494575 /nfs/dbraw/zinc/49/45/75/1095494575.db2.gz GGRUKIYKVZIYJI-OAHLLOKOSA-N -1 0 333.800 2.901 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001601078469 1095494659 /nfs/dbraw/zinc/49/46/59/1095494659.db2.gz NBHSAWFLVQEGMK-UHFFFAOYSA-N -1 0 330.290 2.910 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001601081943 1095496207 /nfs/dbraw/zinc/49/62/07/1095496207.db2.gz BXTKOZHKDVIKBT-OAHLLOKOSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1c(CN2CCO[C@@H](c3ccsc3)C2)cccc1C(=O)[O-] ZINC001601082432 1095496222 /nfs/dbraw/zinc/49/62/22/1095496222.db2.gz UKYLJRFSTQHDBO-MRXNPFEDSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1c(CN2CCO[C@H](c3ccc(F)cc3)C2)cccc1C(=O)[O-] ZINC001601082110 1095496317 /nfs/dbraw/zinc/49/63/17/1095496317.db2.gz PJKGUSAVCRPLEI-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1c(Cn2cnc(-c3ccccc3)cc2=O)cccc1C(=O)[O-] ZINC001601081588 1095496345 /nfs/dbraw/zinc/49/63/45/1095496345.db2.gz XJTLEPDAMCRPCC-UHFFFAOYSA-N -1 0 331.331 2.528 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1F ZINC001601081475 1095496629 /nfs/dbraw/zinc/49/66/29/1095496629.db2.gz VLJMTZKQTCPHLD-CQSZACIVSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1c(CN2Cc3ncccc3N3CCC[C@H]3C2)cccc1C(=O)[O-] ZINC001601082483 1095496638 /nfs/dbraw/zinc/49/66/38/1095496638.db2.gz VJVOUINWSFJTET-HNNXBMFYSA-N -1 0 348.406 2.636 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001601081217 1095496668 /nfs/dbraw/zinc/49/66/68/1095496668.db2.gz ILXUYOHHDFCLST-UHFFFAOYSA-N -1 0 337.310 2.807 20 30 EFEDRM N#Cc1c(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)cccc1C(=O)[O-] ZINC001601081195 1095496826 /nfs/dbraw/zinc/49/68/26/1095496826.db2.gz DHDNRETWPIPEDO-IRXDYDNUSA-N -1 0 333.391 2.720 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001601081993 1095496865 /nfs/dbraw/zinc/49/68/65/1095496865.db2.gz SIQPHIXDEZCTFS-OAHLLOKOSA-N -1 0 333.347 2.638 20 30 EFEDRM N#Cc1c[nH]c(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC001601085058 1095497586 /nfs/dbraw/zinc/49/75/86/1095497586.db2.gz MDGSWGQWKYNHEW-UHFFFAOYSA-N -1 0 334.129 2.599 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)ccc1Cl ZINC001601085159 1095497751 /nfs/dbraw/zinc/49/77/51/1095497751.db2.gz UZXBNHZKXINSNF-OAHLLOKOSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1F ZINC001601084965 1095497830 /nfs/dbraw/zinc/49/78/30/1095497830.db2.gz QONGETOTUBDIRX-LJQANCHMSA-N -1 0 338.338 2.566 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N(CCC(=O)[O-])Cc3ccncc3)ccc12 ZINC001601085281 1095497864 /nfs/dbraw/zinc/49/78/64/1095497864.db2.gz QLPZXDKPNDSLBW-UHFFFAOYSA-N -1 0 348.362 2.552 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(F)cc(Cl)c2N)cccc1C(=O)[O-] ZINC001601083771 1095497909 /nfs/dbraw/zinc/49/79/09/1095497909.db2.gz RHOMXAYALSZECI-UHFFFAOYSA-N -1 0 348.717 2.988 20 30 EFEDRM N#Cc1cc(Br)cnc1N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601084972 1095497950 /nfs/dbraw/zinc/49/79/50/1095497950.db2.gz QSWMQKHXUODMII-FCMYFTRRSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1c(COC(=O)COc2cc(F)cc(F)c2)cccc1C(=O)[O-] ZINC001601083538 1095498034 /nfs/dbraw/zinc/49/80/34/1095498034.db2.gz IGCXZWQKGKECJH-UHFFFAOYSA-N -1 0 347.273 2.657 20 30 EFEDRM N#Cc1c(COC(=O)C2=Cc3ccccc3OC2)cccc1C(=O)[O-] ZINC001601083582 1095498085 /nfs/dbraw/zinc/49/80/85/1095498085.db2.gz KDSMLRXGIGOLSX-UHFFFAOYSA-N -1 0 335.315 2.776 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(C(=O)[O-])s2)cn2ccccc12 ZINC001601083529 1095498214 /nfs/dbraw/zinc/49/82/14/1095498214.db2.gz HYEAEGZSWUIQOB-UHFFFAOYSA-N -1 0 326.333 2.928 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2ccc3ccc(Cl)cc3n2)c1=O ZINC001601087110 1095499100 /nfs/dbraw/zinc/49/91/00/1095499100.db2.gz FLVFGUXGVYPHKY-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)cnc1C(F)(F)F ZINC001601086486 1095499144 /nfs/dbraw/zinc/49/91/44/1095499144.db2.gz SCHVZEDKHQCWMO-UHFFFAOYSA-N -1 0 341.270 2.984 20 30 EFEDRM N#Cc1cc(Cl)ccc1CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001601086723 1095499296 /nfs/dbraw/zinc/49/92/96/1095499296.db2.gz GMINSXLNOAFBNC-UHFFFAOYSA-N -1 0 335.768 2.884 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)ccn1 ZINC001601086331 1095499317 /nfs/dbraw/zinc/49/93/17/1095499317.db2.gz KLZQWTSKTXVLPE-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2Br)co1 ZINC001601085886 1095499335 /nfs/dbraw/zinc/49/93/35/1095499335.db2.gz PHHWEEOTZBPRLC-UHFFFAOYSA-N -1 0 349.140 2.542 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cs1 ZINC001601085909 1095499422 /nfs/dbraw/zinc/49/94/22/1095499422.db2.gz PWXXQPRMTKLDTA-HUUCEWRRSA-N -1 0 326.377 2.560 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])co1 ZINC001601086037 1095499456 /nfs/dbraw/zinc/49/94/56/1095499456.db2.gz VFLKCDMXOITABN-OAHLLOKOSA-N -1 0 348.358 2.978 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])ccc1F ZINC001601085633 1095499515 /nfs/dbraw/zinc/49/95/15/1095499515.db2.gz GKJGEMDVLVLANS-AWEZNQCLSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c(F)c1 ZINC001601088588 1095500266 /nfs/dbraw/zinc/50/02/66/1095500266.db2.gz ZCMGKFZMFWWLER-UHFFFAOYSA-N -1 0 346.245 2.516 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601089203 1095501068 /nfs/dbraw/zinc/50/10/68/1095501068.db2.gz SSOOCXRKRCIRSJ-HNNXBMFYSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001601087593 1095501244 /nfs/dbraw/zinc/50/12/44/1095501244.db2.gz XZRDMTOEOKMMTD-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2ncc(C(=O)[O-])s2)ccc1C1CC1 ZINC001601090842 1095502175 /nfs/dbraw/zinc/50/21/75/1095502175.db2.gz XBHVZSHQCRMBBO-UHFFFAOYSA-N -1 0 342.380 2.912 20 30 EFEDRM N#Cc1cc2c(nc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)CCC2 ZINC001601091482 1095502313 /nfs/dbraw/zinc/50/23/13/1095502313.db2.gz MOCZRRNUHDKEHG-NEPJUHHUSA-N -1 0 339.317 2.531 20 30 EFEDRM N#Cc1cc(N(CCc2ccccc2)CC(=O)[O-])c([N+](=O)[O-])s1 ZINC001601090316 1095502331 /nfs/dbraw/zinc/50/23/31/1095502331.db2.gz ULPJGMBMXYWZMV-UHFFFAOYSA-N -1 0 331.353 2.662 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601091221 1095502629 /nfs/dbraw/zinc/50/26/29/1095502629.db2.gz WKLLYAQUGLGOAD-CQSZACIVSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001601090941 1095502707 /nfs/dbraw/zinc/50/27/07/1095502707.db2.gz BOGWFGDARBYBPF-UHFFFAOYSA-N -1 0 337.295 2.653 20 30 EFEDRM N#Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001601090738 1095502768 /nfs/dbraw/zinc/50/27/68/1095502768.db2.gz QPRPPNHTXQRMBW-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM N#Cc1cc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])ncn1 ZINC001601090428 1095502869 /nfs/dbraw/zinc/50/28/69/1095502869.db2.gz AQBLAXJWFHCJJF-INIZCTEOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc(=O)n(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001601093438 1095503741 /nfs/dbraw/zinc/50/37/41/1095503741.db2.gz YSEIJLTYSOFKEK-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1ccc(Br)c(COC(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001601092822 1095503901 /nfs/dbraw/zinc/50/39/01/1095503901.db2.gz OEGKMOLBZNRPKA-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)nc1Cl ZINC001601092530 1095503985 /nfs/dbraw/zinc/50/39/85/1095503985.db2.gz MWFOYSSSDYHACN-MBNYWOFBSA-N -1 0 347.802 2.712 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])o1 ZINC001601093860 1095504065 /nfs/dbraw/zinc/50/40/65/1095504065.db2.gz BZDULBNKCWXSLQ-UHFFFAOYSA-N -1 0 336.097 2.831 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)[nH]1 ZINC001601093784 1095504200 /nfs/dbraw/zinc/50/42/00/1095504200.db2.gz GOZSXRQOIXURPJ-GFCCVEGCSA-N -1 0 337.257 2.618 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001601093754 1095504344 /nfs/dbraw/zinc/50/43/44/1095504344.db2.gz FPDVQJUKHVSEAO-MRXNPFEDSA-N -1 0 334.331 2.730 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)C(=O)[O-])cc1 ZINC001601096119 1095508719 /nfs/dbraw/zinc/50/87/19/1095508719.db2.gz OILPPXLTBWSMKQ-NVXWUHKLSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCCCC(=O)C2)C(=O)[O-])cc1 ZINC001601096163 1095508807 /nfs/dbraw/zinc/50/88/07/1095508807.db2.gz POFCEXQRACTZHL-GOEBONIOSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1ccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC001601098598 1095509578 /nfs/dbraw/zinc/50/95/78/1095509578.db2.gz RMWQYJZDSHBZSU-JKSUJKDBSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)nc1 ZINC001601097449 1095509656 /nfs/dbraw/zinc/50/96/56/1095509656.db2.gz HOWRZXFLOUCLEP-HZPDHXFCSA-N -1 0 341.411 2.550 20 30 EFEDRM N#Cc1ccc([C@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)cc1 ZINC001601098826 1095509783 /nfs/dbraw/zinc/50/97/83/1095509783.db2.gz YSDBUQWBINRAKB-OAHLLOKOSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)nc1 ZINC001601097444 1095509888 /nfs/dbraw/zinc/50/98/88/1095509888.db2.gz HOWRZXFLOUCLEP-CVEARBPZSA-N -1 0 341.411 2.550 20 30 EFEDRM N#Cc1ccc([C@H]2CN(C(=O)c3ccsc3C(=O)[O-])CCO2)cc1 ZINC001601098507 1095510068 /nfs/dbraw/zinc/51/00/68/1095510068.db2.gz NTTRBOHZGUGYTF-CQSZACIVSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@@H](CC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC001601098352 1095510271 /nfs/dbraw/zinc/51/02/71/1095510271.db2.gz XVSUCSCRLVLHFZ-GOSISDBHSA-N -1 0 348.402 2.792 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC001601098910 1095510319 /nfs/dbraw/zinc/51/03/19/1095510319.db2.gz ANEWGONZIAEVEY-SFHVURJKSA-N -1 0 334.375 2.529 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001601098090 1095510574 /nfs/dbraw/zinc/51/05/74/1095510574.db2.gz PRYAXCLHRAQSEN-UHFFFAOYSA-N -1 0 337.379 2.940 20 30 EFEDRM N#Cc1ccc(CCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001601097857 1095510623 /nfs/dbraw/zinc/51/06/23/1095510623.db2.gz NJWZBXCUWYPCRO-UHFFFAOYSA-N -1 0 340.291 2.703 20 30 EFEDRM N#Cc1ccc(CC(=O)Oc2cccc3c(CC(=O)[O-])cccc23)cn1 ZINC001601098902 1095510635 /nfs/dbraw/zinc/51/06/35/1095510635.db2.gz AEIQOXGGIKTVGI-UHFFFAOYSA-N -1 0 346.342 2.882 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3c(n2)CCCC3)C(=O)[O-])cc1 ZINC001601099606 1095511305 /nfs/dbraw/zinc/51/13/05/1095511305.db2.gz SAULQBFSZUISIB-KRWDZBQOSA-N -1 0 336.347 2.815 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001601099228 1095511346 /nfs/dbraw/zinc/51/13/46/1095511346.db2.gz INMCTOVHSULLPL-GOSISDBHSA-N -1 0 334.331 2.732 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001601099870 1095511486 /nfs/dbraw/zinc/51/14/86/1095511486.db2.gz RMBPZKADAYDJKB-KRWDZBQOSA-N -1 0 345.358 2.528 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001601100309 1095511704 /nfs/dbraw/zinc/51/17/04/1095511704.db2.gz XWWQMDUCFCJEHC-UHFFFAOYSA-N -1 0 327.365 2.772 20 30 EFEDRM N#Cc1ccc(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1Cl ZINC001601100609 1095512330 /nfs/dbraw/zinc/51/23/30/1095512330.db2.gz RBKUZYCJSYQFLE-UHFFFAOYSA-N -1 0 332.787 2.863 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c1 ZINC001601103226 1095513147 /nfs/dbraw/zinc/51/31/47/1095513147.db2.gz JQMBCQSADFVDQA-UHFFFAOYSA-N -1 0 344.710 2.891 20 30 EFEDRM N#Cc1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])nc1 ZINC001601101489 1095513440 /nfs/dbraw/zinc/51/34/40/1095513440.db2.gz BQACXXCANYYYJY-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC001601102203 1095513542 /nfs/dbraw/zinc/51/35/42/1095513542.db2.gz FWFQQWNHEBOJGE-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)o1 ZINC001601101537 1095513552 /nfs/dbraw/zinc/51/35/52/1095513552.db2.gz CKYUPDNQDLXBPX-CYBMUJFWSA-N -1 0 340.257 2.965 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001601103206 1095514003 /nfs/dbraw/zinc/51/40/03/1095514003.db2.gz IMZAHOVEFYVJHI-UHFFFAOYSA-N -1 0 346.433 2.868 20 30 EFEDRM N#Cc1ccc(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)o1 ZINC001601103117 1095514014 /nfs/dbraw/zinc/51/40/14/1095514014.db2.gz DHQILWJXWSUHOK-GFCCVEGCSA-N -1 0 348.405 2.950 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001601106140 1095514542 /nfs/dbraw/zinc/51/45/42/1095514542.db2.gz POFLBLOIFIBXCE-HUUCEWRRSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(N(C2CCC2)S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001601105722 1095514556 /nfs/dbraw/zinc/51/45/56/1095514556.db2.gz FWNXJJAXDXJYME-UHFFFAOYSA-N -1 0 346.364 2.597 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001601105391 1095514643 /nfs/dbraw/zinc/51/46/43/1095514643.db2.gz WSXMEMZWRYOQAS-USXIJHARSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(N2CCSC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001601106465 1095514902 /nfs/dbraw/zinc/51/49/02/1095514902.db2.gz VKBMXSAGCRLVFD-JTQLQIEISA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC001601103359 1095514936 /nfs/dbraw/zinc/51/49/36/1095514936.db2.gz NAYLGMAUMASFJW-UHFFFAOYSA-N -1 0 328.755 2.939 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001601103527 1095515388 /nfs/dbraw/zinc/51/53/88/1095515388.db2.gz SMMFFLLWIXGGPA-CABCVRRESA-N -1 0 332.425 2.551 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl ZINC001601111290 1095515449 /nfs/dbraw/zinc/51/54/49/1095515449.db2.gz XRARDNOVHAKLFV-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(N2CCN(c3ccc(C(=O)[O-])cn3)CC2)c(Cl)c1 ZINC001601106085 1095515505 /nfs/dbraw/zinc/51/55/05/1095515505.db2.gz NUDNWRRHZFQRBP-UHFFFAOYSA-N -1 0 342.786 2.631 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601107950 1095516553 /nfs/dbraw/zinc/51/65/53/1095516553.db2.gz TZHYBBSCQJVSOC-CYBMUJFWSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1ccc(OC2CN(Cc3ccc(C(=O)[O-])c(F)c3)C2)cc1 ZINC001601109086 1095516833 /nfs/dbraw/zinc/51/68/33/1095516833.db2.gz DPPBHAJPZXKERF-UHFFFAOYSA-N -1 0 326.327 2.659 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601106961 1095517188 /nfs/dbraw/zinc/51/71/88/1095517188.db2.gz LIPGRQIZVZPYSH-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001601109749 1095518039 /nfs/dbraw/zinc/51/80/39/1095518039.db2.gz KRLJQJXGAOGCCM-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001601110364 1095518245 /nfs/dbraw/zinc/51/82/45/1095518245.db2.gz VEUFAFDWWZJDGA-LBPRGKRZSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3cc(CC(=O)[O-])ccn3)CC2)cc1 ZINC001601109483 1095518288 /nfs/dbraw/zinc/51/82/88/1095518288.db2.gz VAZNITXVPNUZKC-UHFFFAOYSA-N -1 0 337.379 2.628 20 30 EFEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)cc2)nc1 ZINC001601110606 1095518342 /nfs/dbraw/zinc/51/83/42/1095518342.db2.gz BDFXWNIOFBAUAU-HNNXBMFYSA-N -1 0 349.346 2.649 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])c(Cl)c1 ZINC001601111330 1095518415 /nfs/dbraw/zinc/51/84/15/1095518415.db2.gz ZZFKASSHCIKWQP-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601110092 1095518634 /nfs/dbraw/zinc/51/86/34/1095518634.db2.gz HIPIAFMNJWPQTC-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc(SC[C@H]2CC(C(=O)[O-])=NO2)cc1C(F)(F)F ZINC001601113384 1095518928 /nfs/dbraw/zinc/51/89/28/1095518928.db2.gz AYBZCOXPUYOJOV-MRVPVSSYSA-N -1 0 330.287 2.899 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601114947 1095519902 /nfs/dbraw/zinc/51/99/02/1095519902.db2.gz ZOSRLMFCZLNYPR-LQWHRVPQSA-N -1 0 346.386 2.920 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC001601113557 1095520065 /nfs/dbraw/zinc/52/00/65/1095520065.db2.gz LQXYZIPTYTYBOV-UHFFFAOYSA-N -1 0 338.816 2.627 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)OC3CCC(C(=O)[O-])CC3)n2)c1 ZINC001601115489 1095520097 /nfs/dbraw/zinc/52/00/97/1095520097.db2.gz VSXWVHODSHRQOT-UHFFFAOYSA-N -1 0 339.351 2.544 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001601114428 1095520191 /nfs/dbraw/zinc/52/01/91/1095520191.db2.gz SGUCVBHPQPKDCW-UHFFFAOYSA-N -1 0 332.703 2.825 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)c3ccccc3CCC(=O)[O-])nc2c1 ZINC001601113871 1095520309 /nfs/dbraw/zinc/52/03/09/1095520309.db2.gz CURZHUBIGDBCMQ-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])on2)c1 ZINC001601115674 1095520336 /nfs/dbraw/zinc/52/03/36/1095520336.db2.gz AJYRRQNPWZANBV-UONOGXRCSA-N -1 0 339.351 2.586 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCCCCCCC(=O)[O-])on2)c1 ZINC001601116652 1095520924 /nfs/dbraw/zinc/52/09/24/1095520924.db2.gz YZXVALUUXUXTQB-UHFFFAOYSA-N -1 0 341.367 2.978 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])nc3)on2)c1 ZINC001601116666 1095521005 /nfs/dbraw/zinc/52/10/05/1095521005.db2.gz ZJRSOAFDIIIHSN-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)C2 ZINC001601115920 1095521604 /nfs/dbraw/zinc/52/16/04/1095521604.db2.gz XURVKZXTTKVCBT-UHFFFAOYSA-N -1 0 335.363 2.524 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001601117538 1095521770 /nfs/dbraw/zinc/52/17/70/1095521770.db2.gz CWEJTZAZHILUAJ-CTNGQTDRSA-N -1 0 348.402 2.858 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)n1 ZINC001601116501 1095521801 /nfs/dbraw/zinc/52/18/01/1095521801.db2.gz GHERVFGTVXVZND-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)c3ccc(C(=O)[O-])[nH]3)n2)c1 ZINC001601115938 1095522261 /nfs/dbraw/zinc/52/22/61/1095522261.db2.gz FNDODSMEDCRRDN-UHFFFAOYSA-N -1 0 338.348 2.960 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C[C@H]2OCc3ccccc32)C(=O)[O-])c1 ZINC001601118604 1095523538 /nfs/dbraw/zinc/52/35/38/1095523538.db2.gz YSIYSEIRKPVBBN-SJLPKXTDSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2CC(=O)c3ccccc32)C(=O)[O-])c1 ZINC001601118353 1095523615 /nfs/dbraw/zinc/52/36/15/1095523615.db2.gz JMTILEANWRODJN-NVXWUHKLSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)NCc3ccc(C(=O)[O-])s3)CC2)c1 ZINC001601120013 1095524921 /nfs/dbraw/zinc/52/49/21/1095524921.db2.gz DRBPWMKQOVTREU-UHFFFAOYSA-N -1 0 341.392 2.806 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3ccc(/C=C\C(=O)[O-])o3)CCO2)c1 ZINC001601120053 1095525344 /nfs/dbraw/zinc/52/53/44/1095525344.db2.gz GLACPZJPQPTZQA-HPFMTEOYSA-N -1 0 338.363 2.823 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3ccccc3CC(=O)[O-])CCO2)c1 ZINC001601120228 1095525479 /nfs/dbraw/zinc/52/54/79/1095525479.db2.gz NSYORCXNHVXQNC-IBGZPJMESA-N -1 0 336.391 2.759 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2coc3c2C(=O)CCC3)C(=O)[O-])c1 ZINC001601120144 1095525607 /nfs/dbraw/zinc/52/56/07/1095525607.db2.gz JMJJQDBSEOFFPH-MRXNPFEDSA-N -1 0 339.303 2.653 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001601121349 1095526900 /nfs/dbraw/zinc/52/69/00/1095526900.db2.gz JBWJMOMJOZQBQK-DLBZAZTESA-N -1 0 336.347 2.764 20 30 EFEDRM N#Cc1cccc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])c1F ZINC001601122619 1095527485 /nfs/dbraw/zinc/52/74/85/1095527485.db2.gz PHPZHARVASZTKM-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001601124150 1095528882 /nfs/dbraw/zinc/52/88/82/1095528882.db2.gz FAIXIAXWNRTQSE-RCCFBDPRSA-N -1 0 335.359 2.901 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001601124694 1095529230 /nfs/dbraw/zinc/52/92/30/1095529230.db2.gz RRRJZRODCHYDDN-OTWHNJEPSA-N -1 0 346.386 2.872 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ocnc1C(=O)[O-] ZINC001601124765 1095529485 /nfs/dbraw/zinc/52/94/85/1095529485.db2.gz XUHZYDNFADKHQV-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM N#Cc1ccncc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001601128137 1095530109 /nfs/dbraw/zinc/53/01/09/1095530109.db2.gz BREIVIBGZFFGMZ-UHFFFAOYSA-N -1 0 337.360 2.796 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601125298 1095531502 /nfs/dbraw/zinc/53/15/02/1095531502.db2.gz DLBHCRFRGMOXBZ-BQYQJAHWSA-N -1 0 332.359 2.855 20 30 EFEDRM N#Cc1cn(CC(=O)c2ccc(C(=O)[O-])cc2)c(=O)c2sccc21 ZINC001601129152 1095533504 /nfs/dbraw/zinc/53/35/04/1095533504.db2.gz OLNZCKMOQDBCGE-UHFFFAOYSA-N -1 0 338.344 2.516 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(N2CCc3ccccc32)CC1 ZINC001601133565 1095534488 /nfs/dbraw/zinc/53/44/88/1095534488.db2.gz RJSIXLMZLWZQFC-UHFFFAOYSA-N -1 0 348.406 2.683 20 30 EFEDRM N#Cc1cnccc1CN[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601131728 1095534739 /nfs/dbraw/zinc/53/47/39/1095534739.db2.gz NYQXJEFXWBLRKT-CQSZACIVSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001601133167 1095534777 /nfs/dbraw/zinc/53/47/77/1095534777.db2.gz LAHBYIQQNZZXIO-CYBMUJFWSA-N -1 0 325.343 2.860 20 30 EFEDRM N#Cc1cnccc1CN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601131518 1095535035 /nfs/dbraw/zinc/53/50/35/1095535035.db2.gz CYCMTNCVGYRVFD-CQSZACIVSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1ncc(N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nc1C#N ZINC001601133965 1095535916 /nfs/dbraw/zinc/53/59/16/1095535916.db2.gz AMFLWUXQEQQTPU-ZFWWWQNUSA-N -1 0 347.378 2.595 20 30 EFEDRM N#Cc1sc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)nc1Cl ZINC001601136082 1095535964 /nfs/dbraw/zinc/53/59/64/1095535964.db2.gz DZRYHDZYSWZUJQ-WDEREUQCSA-N -1 0 349.799 2.678 20 30 EFEDRM N#Cc1nc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])sc1Cl ZINC001601134479 1095536282 /nfs/dbraw/zinc/53/62/82/1095536282.db2.gz RCXKFECNOKKRKJ-VIFPVBQESA-N -1 0 337.788 2.729 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001601135613 1095536292 /nfs/dbraw/zinc/53/62/92/1095536292.db2.gz GOOYCFBVEJGBMH-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Oc1cccc(C(=O)N2CCCC2)c1 ZINC001601134806 1095536348 /nfs/dbraw/zinc/53/63/48/1095536348.db2.gz NYTRQNCCEQVVHI-UHFFFAOYSA-N -1 0 337.335 2.680 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(O)c(Br)c1 ZINC001601134874 1095536412 /nfs/dbraw/zinc/53/64/12/1095536412.db2.gz RRAXACBYPSZHQG-UHFFFAOYSA-N -1 0 348.156 2.732 20 30 EFEDRM N#Cc1sc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])nc1Cl ZINC001601136356 1095536552 /nfs/dbraw/zinc/53/65/52/1095536552.db2.gz OWVJGSMWTGPULI-SECBINFHSA-N -1 0 341.751 2.751 20 30 EFEDRM N#Cc1nc(N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1C(F)(F)F ZINC001601134554 1095536632 /nfs/dbraw/zinc/53/66/32/1095536632.db2.gz UXXZBAUZYMPUOX-IGJMFERPSA-N -1 0 325.290 2.662 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc2c1OC(F)(F)O2 ZINC001601134218 1095536829 /nfs/dbraw/zinc/53/68/29/1095536829.db2.gz CVGDYVSPACVQNM-UHFFFAOYSA-N -1 0 333.250 2.585 20 30 EFEDRM N#Cc1sc(NC(=O)NCC2(CC(=O)[O-])CCCC2)nc1Cl ZINC001601136709 1095538450 /nfs/dbraw/zinc/53/84/50/1095538450.db2.gz ZRAJBWZSGPCFMD-UHFFFAOYSA-N -1 0 342.808 2.825 20 30 EFEDRM Nc1nc(Cl)cc(NN=Cc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001601220149 1095561739 /nfs/dbraw/zinc/56/17/39/1095561739.db2.gz DDLISINXSXTUHS-UHFFFAOYSA-N -1 0 326.143 2.510 20 30 EFEDRM O=C([O-])[C@@H](F)CNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001601521331 1095715750 /nfs/dbraw/zinc/71/57/50/1095715750.db2.gz GLKIHLMPRALZCJ-AWEZNQCLSA-N -1 0 332.356 2.692 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccnn2C2CCC2)cc1 ZINC001602080642 1096048732 /nfs/dbraw/zinc/04/87/32/1096048732.db2.gz YYOVZSUSKSXNFO-RMKNXTFCSA-N -1 0 326.352 2.968 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C\c1cnc(C3CCC3)s1)C2=O ZINC001602306393 1096168895 /nfs/dbraw/zinc/16/88/95/1096168895.db2.gz UPXALDPHSNWAKN-UXBLZVDNSA-N -1 0 329.381 2.975 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C/c1cc(Cl)cc3c1OCC3)C2=O ZINC001602306290 1096169081 /nfs/dbraw/zinc/16/90/81/1096169081.db2.gz PSWAFXLAWRCYJO-UITAMQMPSA-N -1 0 344.754 2.840 20 30 EFEDRM O=C([O-])c1ccc(C=NOC[C@@H]2CCOC2)cc1Br ZINC001602333365 1096183681 /nfs/dbraw/zinc/18/36/81/1096183681.db2.gz XAPKTKHOQRXMJV-SNVBAGLBSA-N -1 0 328.162 2.534 20 30 EFEDRM O=C([O-])c1ccc(C=NOC[C@H]2CCOC2)cc1Br ZINC001602333364 1096183859 /nfs/dbraw/zinc/18/38/59/1096183859.db2.gz XAPKTKHOQRXMJV-JTQLQIEISA-N -1 0 328.162 2.534 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3n[nH]cc3F)c2)c1 ZINC001602430550 1096240766 /nfs/dbraw/zinc/24/07/66/1096240766.db2.gz MKHIRPLEAHIKAK-UHFFFAOYSA-N -1 0 349.321 2.899 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2cc3c(s2)CCOC3)c1 ZINC001602430412 1096240877 /nfs/dbraw/zinc/24/08/77/1096240877.db2.gz IPOIYWYWUUVESH-UHFFFAOYSA-N -1 0 342.372 2.728 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@@]23CCO[C@H]2CCCC3)c1 ZINC001602430790 1096241037 /nfs/dbraw/zinc/24/10/37/1096241037.db2.gz QYVLCFCJLJZCGS-LPHOPBHVSA-N -1 0 328.364 2.629 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)[C@H]2CCCN2c2ccccc2)c1 ZINC001602430837 1096241876 /nfs/dbraw/zinc/24/18/76/1096241876.db2.gz TUOJKDNSJPGLHJ-LJQANCHMSA-N -1 0 349.386 2.949 20 30 EFEDRM O=C([O-])c1cccc(-c2noc(C#Cc3ccc4c(c3)OCO4)n2)c1 ZINC001602431050 1096242569 /nfs/dbraw/zinc/24/25/69/1096242569.db2.gz YVCKKYCRBQJPTP-UHFFFAOYSA-N -1 0 334.287 2.563 20 30 EFEDRM O=C([O-])c1ccnc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC001602481310 1096267085 /nfs/dbraw/zinc/26/70/85/1096267085.db2.gz LTMRAYFGNISDMG-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM O=C([O-])c1coc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC001602554113 1096295329 /nfs/dbraw/zinc/29/53/29/1096295329.db2.gz WRZDWDXUUNQYCT-UHFFFAOYSA-N -1 0 332.316 2.546 20 30 EFEDRM O=C([O-])c1nc(Cl)n(CC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC001602568837 1096303354 /nfs/dbraw/zinc/30/33/54/1096303354.db2.gz VNBYJZICRLKPFD-UHFFFAOYSA-N -1 0 345.664 2.580 20 30 EFEDRM C=C(C)C[C@H](Nc1nc(C2CC2)ncc1Br)C(=O)[O-] ZINC001602757380 1096364427 /nfs/dbraw/zinc/36/44/27/1096364427.db2.gz MWAPUMWMIOJECX-JTQLQIEISA-N -1 0 326.194 2.948 20 30 EFEDRM C#C[C@@H](CC)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001602671349 1096344555 /nfs/dbraw/zinc/34/45/55/1096344555.db2.gz RLKGNBLJHAUIFK-RYUDHWBXSA-N -1 0 328.290 2.699 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602671858 1096344752 /nfs/dbraw/zinc/34/47/52/1096344752.db2.gz XZPDBNDDFHLMSP-SNVBAGLBSA-N -1 0 326.299 2.562 20 30 EFEDRM C#C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001602672468 1096345082 /nfs/dbraw/zinc/34/50/82/1096345082.db2.gz DERDSMRRIBEJLL-AWEZNQCLSA-N -1 0 346.745 2.606 20 30 EFEDRM C#C[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602674286 1096345758 /nfs/dbraw/zinc/34/57/58/1096345758.db2.gz OLLZWWABMCOBPV-AEGPPILISA-N -1 0 334.803 2.957 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602675044 1096346864 /nfs/dbraw/zinc/34/68/64/1096346864.db2.gz YLQIJNOAOXHUAI-BXUZGUMPSA-N -1 0 338.766 2.802 20 30 EFEDRM C#C[C@@H](Nc1nccc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001602678238 1096347938 /nfs/dbraw/zinc/34/79/38/1096347938.db2.gz KUJGNNWOYMNLLU-LLVKDONJSA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001602678567 1096348514 /nfs/dbraw/zinc/34/85/14/1096348514.db2.gz NKWGZRSSCFPRGB-KRWDZBQOSA-N -1 0 325.339 2.947 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602685228 1096349647 /nfs/dbraw/zinc/34/96/47/1096349647.db2.gz PHUXQRYSIZCRAH-CQSZACIVSA-N -1 0 342.420 2.880 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001602681353 1096350171 /nfs/dbraw/zinc/35/01/71/1096350171.db2.gz KIBWZCQCJAKNDJ-LJQANCHMSA-N -1 0 344.459 2.680 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001602683308 1096350250 /nfs/dbraw/zinc/35/02/50/1096350250.db2.gz OECULYSQQWTMFT-KBXCAEBGSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001602683191 1096350391 /nfs/dbraw/zinc/35/03/91/1096350391.db2.gz KNYBPCHAMIYJBZ-CQSZACIVSA-N -1 0 332.400 2.599 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001602690732 1096350790 /nfs/dbraw/zinc/35/07/90/1096350790.db2.gz ZASNIEFKNSBFKT-CYBMUJFWSA-N -1 0 347.378 2.753 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001602692006 1096350967 /nfs/dbraw/zinc/35/09/67/1096350967.db2.gz GYPDLYCNSYVDNH-KRWDZBQOSA-N -1 0 341.338 2.708 20 30 EFEDRM C#C[C@@H](NC(=O)Cc1c(C)cc(-c2nn[nH]n2)cc1C)c1ccccc1 ZINC001602689774 1096351166 /nfs/dbraw/zinc/35/11/66/1096351166.db2.gz VNCIYDSONPMGCQ-GOSISDBHSA-N -1 0 345.406 2.517 20 30 EFEDRM C#C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1)C(C)C ZINC001602689432 1096351414 /nfs/dbraw/zinc/35/14/14/1096351414.db2.gz RDXVGUOFFFMDEK-SFHVURJKSA-N -1 0 345.406 2.921 20 30 EFEDRM C#C[C@@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC001602688981 1096351667 /nfs/dbraw/zinc/35/16/67/1096351667.db2.gz AHOAHOITYPRUNO-KRWDZBQOSA-N -1 0 342.403 2.577 20 30 EFEDRM C#CC[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001602691809 1096352119 /nfs/dbraw/zinc/35/21/19/1096352119.db2.gz AIKTTWHDQROHNI-INIZCTEOSA-N -1 0 349.390 2.612 20 30 EFEDRM C#CC[C@H]1CCCN(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)C1 ZINC001602700361 1096353032 /nfs/dbraw/zinc/35/30/32/1096353032.db2.gz VZXNMJMOYBUXPB-NWDGAFQWSA-N -1 0 347.440 2.600 20 30 EFEDRM C#CCCCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602701570 1096353527 /nfs/dbraw/zinc/35/35/27/1096353527.db2.gz NVFQHVIZBLZGLH-UHFFFAOYSA-N -1 0 328.393 2.928 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC001602699784 1096354047 /nfs/dbraw/zinc/35/40/47/1096354047.db2.gz JMUWQKBQTCHVGN-UHFFFAOYSA-N -1 0 339.388 2.528 20 30 EFEDRM C#CCCC[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001602705907 1096354673 /nfs/dbraw/zinc/35/46/73/1096354673.db2.gz HHTXVHUCHLXKSE-UONOGXRCSA-N -1 0 326.400 2.781 20 30 EFEDRM C#CCCCCNc1cc(Br)c(-c2nn[nH]n2)cc1F ZINC001602711554 1096355050 /nfs/dbraw/zinc/35/50/50/1096355050.db2.gz XKCYNBAXCGPXCG-UHFFFAOYSA-N -1 0 338.184 2.984 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1 ZINC001602708307 1096355100 /nfs/dbraw/zinc/35/51/00/1096355100.db2.gz MEXSQSOWLGWMIA-ZIAGYGMSSA-N -1 0 329.396 2.803 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl)C1CC1 ZINC001602711773 1096355543 /nfs/dbraw/zinc/35/55/43/1096355543.db2.gz TVEPKVMJRCHZEQ-UHFFFAOYSA-N -1 0 349.774 2.626 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001602719425 1096356388 /nfs/dbraw/zinc/35/63/88/1096356388.db2.gz KSLCYPFVAGIYFM-UHFFFAOYSA-N -1 0 337.354 2.967 20 30 EFEDRM C#CCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCCc2ccccc21 ZINC001602713933 1096356452 /nfs/dbraw/zinc/35/64/52/1096356452.db2.gz WGQQALIFUAGDRU-GOSISDBHSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCN(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001602713776 1096356663 /nfs/dbraw/zinc/35/66/63/1096356663.db2.gz SNEZBLMOZGCVRH-UHFFFAOYSA-N -1 0 332.359 2.882 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC001602738120 1096358885 /nfs/dbraw/zinc/35/88/85/1096358885.db2.gz KLVMKKOVCRREIW-UHFFFAOYSA-N -1 0 340.383 2.577 20 30 EFEDRM C#Cc1cccc(NC(=S)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1 ZINC001602742872 1096359861 /nfs/dbraw/zinc/35/98/61/1096359861.db2.gz BFQITQJLRMDFBF-OWCLPIDISA-N -1 0 328.437 2.940 20 30 EFEDRM C#Cc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)nc1 ZINC001602739324 1096360150 /nfs/dbraw/zinc/36/01/50/1096360150.db2.gz BYPXUWPVRSDVNB-INIZCTEOSA-N -1 0 334.375 2.611 20 30 EFEDRM C#Cc1cccc(NC(=S)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1 ZINC001602742870 1096360303 /nfs/dbraw/zinc/36/03/03/1096360303.db2.gz BFQITQJLRMDFBF-HRCADAONSA-N -1 0 328.437 2.940 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1cscc1Br)C(=O)[O-] ZINC001602748684 1096361250 /nfs/dbraw/zinc/36/12/50/1096361250.db2.gz GSIFUVCHMDCTBP-SNVBAGLBSA-N -1 0 332.219 2.589 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1c(F)ccc(Br)c1F)C(=O)[O-] ZINC001602748722 1096361708 /nfs/dbraw/zinc/36/17/08/1096361708.db2.gz IICCFQMJSRJSRA-VIFPVBQESA-N -1 0 348.143 2.877 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001602744774 1096361879 /nfs/dbraw/zinc/36/18/79/1096361879.db2.gz MYRQFPFFPZDOSB-AWEZNQCLSA-N -1 0 348.280 2.795 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001602755338 1096364600 /nfs/dbraw/zinc/36/46/00/1096364600.db2.gz PFNCWZBJOXSIKT-ZDUSSCGKSA-N -1 0 339.775 2.552 20 30 EFEDRM C=C(C)CCC(=O)N(c1nc(CC(=O)[O-])cs1)N1CCCCC1 ZINC001602757946 1096364755 /nfs/dbraw/zinc/36/47/55/1096364755.db2.gz XUWAQXUUGACSHK-UHFFFAOYSA-N -1 0 337.445 2.860 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)C(=O)[O-] ZINC001602755240 1096364763 /nfs/dbraw/zinc/36/47/63/1096364763.db2.gz LWOXVKZPEHJJCX-LBPRGKRZSA-N -1 0 331.397 2.663 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cccc(O[C@H](C)CC)c1)C(=O)[O-] ZINC001602757787 1096364991 /nfs/dbraw/zinc/36/49/91/1096364991.db2.gz WCWGOLJEOQNUMF-DOMZBBRYSA-N -1 0 341.429 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(OC)c(C(C)C)c(OC)c1)C(=O)[O-] ZINC001602754909 1096365123 /nfs/dbraw/zinc/36/51/23/1096365123.db2.gz ZPYGULCERZDHMY-CYBMUJFWSA-N -1 0 335.400 2.976 20 30 EFEDRM C=C(C)C[C@@H]1NC(=O)N(c2cccc(SCCC(=O)[O-])c2)C1=O ZINC001602757130 1096365171 /nfs/dbraw/zinc/36/51/71/1096365171.db2.gz GXBRIPHYAQIEJD-ZDUSSCGKSA-N -1 0 334.397 2.644 20 30 EFEDRM C=C(C)CN(CC)C(=O)CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001602762096 1096365641 /nfs/dbraw/zinc/36/56/41/1096365641.db2.gz RNWCFIJZKRUFCD-HNNXBMFYSA-N -1 0 342.798 2.619 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001602761950 1096366045 /nfs/dbraw/zinc/36/60/45/1096366045.db2.gz MDLZYQVKHYFVLF-UHFFFAOYSA-N -1 0 336.413 2.687 20 30 EFEDRM C=C(C)COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)[O-])ccc1OC ZINC001602764685 1096366071 /nfs/dbraw/zinc/36/60/71/1096366071.db2.gz LIKDHPIRYOXUOO-HNNXBMFYSA-N -1 0 348.424 2.528 20 30 EFEDRM C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602766290 1096366249 /nfs/dbraw/zinc/36/62/49/1096366249.db2.gz XZFGHQGZVKLSMY-QGZVFWFLSA-N -1 0 329.404 2.540 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c1 ZINC001602764833 1096366355 /nfs/dbraw/zinc/36/63/55/1096366355.db2.gz TWCAWSQTHKPVCE-GOEBONIOSA-N -1 0 333.384 2.992 20 30 EFEDRM C=C(C)Cn1c(C(C)C)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001602766068 1096366545 /nfs/dbraw/zinc/36/65/45/1096366545.db2.gz UBQSTVGSYJAICG-UHFFFAOYSA-N -1 0 341.415 2.634 20 30 EFEDRM C=C(C)CN(CC)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602762062 1096366731 /nfs/dbraw/zinc/36/67/31/1096366731.db2.gz PVJZNUGENHKGND-UYJPIKCFSA-N -1 0 326.462 2.723 20 30 EFEDRM C=C(C)Cn1c(Cc2ccoc2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001602771055 1096366978 /nfs/dbraw/zinc/36/69/78/1096366978.db2.gz IRFJHFNDUTXGJD-UGSOOPFHSA-N -1 0 344.415 2.585 20 30 EFEDRM C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602769252 1096367226 /nfs/dbraw/zinc/36/72/26/1096367226.db2.gz WCUBGIHOKFYNHD-GUYCJALGSA-N -1 0 336.436 2.643 20 30 EFEDRM C=C(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001602768025 1096367861 /nfs/dbraw/zinc/36/78/61/1096367861.db2.gz DMWWDCXMCRURDJ-LSDHHAIUSA-N -1 0 345.447 2.638 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001602774453 1096368082 /nfs/dbraw/zinc/36/80/82/1096368082.db2.gz LOJUGIIUIQTQIU-QGZVFWFLSA-N -1 0 345.374 2.528 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(SCCC(=O)OC)c1 ZINC001602787684 1096370215 /nfs/dbraw/zinc/37/02/15/1096370215.db2.gz PNVQNNXQACOOMW-UHFFFAOYSA-N -1 0 337.397 2.701 20 30 EFEDRM C=CC(C)(C)CNC(=O)N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001602786872 1096370296 /nfs/dbraw/zinc/37/02/96/1096370296.db2.gz NXGIEYGQTVZAQM-HNNXBMFYSA-N -1 0 340.431 2.756 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1OC ZINC001602786699 1096370625 /nfs/dbraw/zinc/37/06/25/1096370625.db2.gz FJMSDHUOVUPCQX-UHFFFAOYSA-N -1 0 344.419 2.989 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC001602785473 1096370784 /nfs/dbraw/zinc/37/07/84/1096370784.db2.gz VXTINGFPHGTTKZ-UHFFFAOYSA-N -1 0 336.739 2.579 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC001602785851 1096370998 /nfs/dbraw/zinc/37/09/98/1096370998.db2.gz MOMYTMHYOJNNAJ-CYBMUJFWSA-N -1 0 336.363 2.776 20 30 EFEDRM C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001602786948 1096371115 /nfs/dbraw/zinc/37/11/15/1096371115.db2.gz RKDZVIPUMRXRHF-LBPRGKRZSA-N -1 0 328.420 2.781 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC001602783802 1096371205 /nfs/dbraw/zinc/37/12/05/1096371205.db2.gz KALJRADKKCLTQG-UHFFFAOYSA-N -1 0 345.317 2.973 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c(Cl)cccc1OC(F)F ZINC001602784656 1096371227 /nfs/dbraw/zinc/37/12/27/1096371227.db2.gz ZJPJKFZLJNAMQS-UHFFFAOYSA-N -1 0 333.718 2.979 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001602791391 1096372064 /nfs/dbraw/zinc/37/20/64/1096372064.db2.gz NJCBVJFHKQIIFR-BETUJISGSA-N -1 0 344.367 2.886 20 30 EFEDRM C=C[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001602813490 1096374906 /nfs/dbraw/zinc/37/49/06/1096374906.db2.gz YWLVBLCIWJTUKI-SECBINFHSA-N -1 0 325.342 2.893 20 30 EFEDRM C=C[C@H](COC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001602815608 1096375263 /nfs/dbraw/zinc/37/52/63/1096375263.db2.gz AVIOZQKMWLYKCH-GFCCVEGCSA-N -1 0 344.367 2.626 20 30 EFEDRM C=C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)[O-] ZINC001602828355 1096376885 /nfs/dbraw/zinc/37/68/85/1096376885.db2.gz CPPVMQMQCDDDCW-LBPRGKRZSA-N -1 0 330.344 2.686 20 30 EFEDRM C=C[C@H](OC(=O)c1sc(C)c(Br)c1OC)C(=O)[O-] ZINC001602827907 1096377881 /nfs/dbraw/zinc/37/78/81/1096377881.db2.gz UDXNWNLKHHWKKF-LURJTMIESA-N -1 0 335.175 2.624 20 30 EFEDRM C=C[C@H](Nc1cc(Br)ccc1OCCOCC)C(=O)[O-] ZINC001602819402 1096378054 /nfs/dbraw/zinc/37/80/54/1096378054.db2.gz UXWHUPLUHPEGKR-NSHDSACASA-N -1 0 344.205 2.916 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602837210 1096381126 /nfs/dbraw/zinc/38/11/26/1096381126.db2.gz IRLRXCHRTLRXHD-NSHDSACASA-N -1 0 334.397 2.566 20 30 EFEDRM C=CCC(CC=C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001602837505 1096381742 /nfs/dbraw/zinc/38/17/42/1096381742.db2.gz YRWWIMWNICMPMD-LLVKDONJSA-N -1 0 328.368 2.827 20 30 EFEDRM C=CC[C@H](Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)[O-] ZINC001602844263 1096382820 /nfs/dbraw/zinc/38/28/20/1096382820.db2.gz ACUNNFLFLDKIKG-ZDUSSCGKSA-N -1 0 333.413 2.574 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)C(=O)[O-] ZINC001602845142 1096382827 /nfs/dbraw/zinc/38/28/27/1096382827.db2.gz KSAHVRFWIDDONT-YPMHNXCESA-N -1 0 329.755 2.654 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC001602841958 1096383101 /nfs/dbraw/zinc/38/31/01/1096383101.db2.gz BETQKCLPKXCTPQ-GFCCVEGCSA-N -1 0 343.326 2.547 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCCCC1 ZINC001602850014 1096383997 /nfs/dbraw/zinc/38/39/97/1096383997.db2.gz QTNAQMWRXRPKBP-UHFFFAOYSA-N -1 0 344.411 2.966 20 30 EFEDRM C=CC[C@H](OC(=O)c1c(C)c2ccccc2nc1COC)C(=O)[O-] ZINC001602849128 1096384285 /nfs/dbraw/zinc/38/42/85/1096384285.db2.gz LOUBKLNGSVTKNC-HNNXBMFYSA-N -1 0 329.352 2.876 20 30 EFEDRM C=CC[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)[O-] ZINC001602850133 1096384482 /nfs/dbraw/zinc/38/44/82/1096384482.db2.gz UENQHCBMZREWOI-SNVBAGLBSA-N -1 0 336.438 2.605 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001602849247 1096384747 /nfs/dbraw/zinc/38/47/47/1096384747.db2.gz MMVDLFIRWKFNOO-LBPRGKRZSA-N -1 0 325.292 2.580 20 30 EFEDRM C=CCC1(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCOCC1 ZINC001602850521 1096384821 /nfs/dbraw/zinc/38/48/21/1096384821.db2.gz YPAYGBCJKRMGNQ-UHFFFAOYSA-N -1 0 338.429 2.817 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602855655 1096385458 /nfs/dbraw/zinc/38/54/58/1096385458.db2.gz WNOHSZFVMYQGDF-RISCZKNCSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001602856158 1096385562 /nfs/dbraw/zinc/38/55/62/1096385562.db2.gz WXEGYUGJYBQCGU-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001602855832 1096386205 /nfs/dbraw/zinc/38/62/05/1096386205.db2.gz FBWRXKZPSDIMSM-ZDUSSCGKSA-N -1 0 346.427 2.922 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001602860652 1096387062 /nfs/dbraw/zinc/38/70/62/1096387062.db2.gz KNWDUCBYEYNYQM-GFCCVEGCSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCC[C@@H]1NC(=O)N([C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1=O ZINC001602860625 1096387071 /nfs/dbraw/zinc/38/70/71/1096387071.db2.gz JSYBOXQTHFNWNN-UONOGXRCSA-N -1 0 330.384 2.725 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602860792 1096387103 /nfs/dbraw/zinc/38/71/03/1096387103.db2.gz QDQZIYTUIIXGHM-VIFPVBQESA-N -1 0 333.356 2.686 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001602857741 1096387450 /nfs/dbraw/zinc/38/74/50/1096387450.db2.gz WYQFPDLLBWNLSX-OAHLLOKOSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602860764 1096387648 /nfs/dbraw/zinc/38/76/48/1096387648.db2.gz PCSYADWXZGBOPM-QRHJNKNDSA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001602860653 1096387833 /nfs/dbraw/zinc/38/78/33/1096387833.db2.gz KNWDUCBYEYNYQM-LBPRGKRZSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCCC[C@H](NC(=O)CNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC001602865605 1096388704 /nfs/dbraw/zinc/38/87/04/1096388704.db2.gz NEKOWPIIQSFOER-LBPRGKRZSA-N -1 0 340.807 2.686 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001602862881 1096388746 /nfs/dbraw/zinc/38/87/46/1096388746.db2.gz JHXHOEXFEXSFSY-SGTLLEGYSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCn1c(C)nc2ccccc21)C(=O)[O-] ZINC001602864931 1096389012 /nfs/dbraw/zinc/38/90/12/1096389012.db2.gz BOXZMYBOQCYKRO-OAHLLOKOSA-N -1 0 329.400 2.661 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)C(=O)[O-] ZINC001602862879 1096389439 /nfs/dbraw/zinc/38/94/39/1096389439.db2.gz JHXHOEXFEXSFSY-KPZWWZAWSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001602869557 1096389620 /nfs/dbraw/zinc/38/96/20/1096389620.db2.gz CHKQCMQZJCCTSW-GFCCVEGCSA-N -1 0 336.344 2.533 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001602863866 1096389639 /nfs/dbraw/zinc/38/96/39/1096389639.db2.gz URZUDEUZXFGDRI-OLZOCXBDSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H]1NC(=O)N(c2cc3[nH]ccc3c(C(=O)[O-])c2)C1=O ZINC001602873050 1096390302 /nfs/dbraw/zinc/39/03/02/1096390302.db2.gz PIQBFKKLLKFUQF-ZDUSSCGKSA-N -1 0 327.340 2.647 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(C)ccc1Cl)C(=O)[O-] ZINC001602873276 1096390387 /nfs/dbraw/zinc/39/03/87/1096390387.db2.gz UIDXRBUKCKCXKW-GFCCVEGCSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@H]1NC(=O)N(c2cc3[nH]ccc3c(C(=O)[O-])c2)C1=O ZINC001602873049 1096390827 /nfs/dbraw/zinc/39/08/27/1096390827.db2.gz PIQBFKKLLKFUQF-CYBMUJFWSA-N -1 0 327.340 2.647 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)OCC)cc1)C(=O)[O-] ZINC001602872834 1096391074 /nfs/dbraw/zinc/39/10/74/1096391074.db2.gz WSIDNTVAOVJEFH-AWEZNQCLSA-N -1 0 334.372 2.794 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001602884594 1096391510 /nfs/dbraw/zinc/39/15/10/1096391510.db2.gz KLBATPVAZSNHEU-UHFFFAOYSA-N -1 0 332.400 2.951 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)[O-])n1 ZINC001602894163 1096392970 /nfs/dbraw/zinc/39/29/70/1096392970.db2.gz WBNQUIGECBHSQI-UHFFFAOYSA-N -1 0 327.340 2.876 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001602894582 1096393250 /nfs/dbraw/zinc/39/32/50/1096393250.db2.gz LWAHBVLTUHCBOU-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001602894802 1096393562 /nfs/dbraw/zinc/39/35/62/1096393562.db2.gz ZWGKCMWPYOPRLX-GLJUWKHASA-N -1 0 332.375 2.777 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001602894255 1096393843 /nfs/dbraw/zinc/39/38/43/1096393843.db2.gz ZAFKOZAMUBPPHX-UHFFFAOYSA-N -1 0 336.351 2.872 20 30 EFEDRM C=CCN(CCc1ccco1)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001602893796 1096393984 /nfs/dbraw/zinc/39/39/84/1096393984.db2.gz LJDXJQNPHJTUSU-QGZVFWFLSA-N -1 0 343.379 2.923 20 30 EFEDRM C=CCNc1ncc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC001602904941 1096395235 /nfs/dbraw/zinc/39/52/35/1096395235.db2.gz NTOBOMHAERMVMM-GFCCVEGCSA-N -1 0 345.424 2.857 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@H]1C[C@H](C)c2c1cccc2C)C(=O)[O-] ZINC001602910271 1096397590 /nfs/dbraw/zinc/39/75/90/1096397590.db2.gz SVJAPKYIWRFQPJ-LZWOXQAQSA-N -1 0 331.412 2.748 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC001602920576 1096400201 /nfs/dbraw/zinc/40/02/01/1096400201.db2.gz LHRLOMSMKRWYBK-OCCSQVGLSA-N -1 0 332.352 2.836 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@@H](C)COC ZINC001602925813 1096400805 /nfs/dbraw/zinc/40/08/05/1096400805.db2.gz AIBUTLBIIIAQTO-RYUDHWBXSA-N -1 0 336.384 2.946 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1c(C)noc1C ZINC001602925930 1096401026 /nfs/dbraw/zinc/40/10/26/1096401026.db2.gz HPOFJBBUUNNONL-UHFFFAOYSA-N -1 0 331.324 2.946 20 30 EFEDRM C=CCOc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001602921639 1096401125 /nfs/dbraw/zinc/40/11/25/1096401125.db2.gz HVRIXWHHZFYVHB-UHFFFAOYSA-N -1 0 329.312 2.865 20 30 EFEDRM C=CCc1cc(C(=O)Nc2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC001602926015 1096401187 /nfs/dbraw/zinc/40/11/87/1096401187.db2.gz LIOGNBMFHFQGSK-UHFFFAOYSA-N -1 0 348.380 2.839 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CSC(F)F ZINC001602926196 1096401228 /nfs/dbraw/zinc/40/12/28/1096401228.db2.gz VIXZGRHDAUHJLW-UHFFFAOYSA-N -1 0 332.324 2.983 20 30 EFEDRM C=CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1OC ZINC001602922072 1096401356 /nfs/dbraw/zinc/40/13/56/1096401356.db2.gz LPAUWJUTDYQXCG-UHFFFAOYSA-N -1 0 347.392 2.950 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001602926766 1096402723 /nfs/dbraw/zinc/40/27/23/1096402723.db2.gz MNMYEBBXUHWPRM-GXTWGEPZSA-N -1 0 342.388 2.906 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C#N)n1C ZINC001602926909 1096402757 /nfs/dbraw/zinc/40/27/57/1096402757.db2.gz PZEIPMOIWPERNZ-UHFFFAOYSA-N -1 0 340.335 2.551 20 30 EFEDRM C=CCn1c([C@@H]2C[C@@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602931732 1096403027 /nfs/dbraw/zinc/40/30/27/1096403027.db2.gz AJLWEYNPYWLCCH-FHSNZYRGSA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCn1c(S[C@@H](C(=O)[O-])[C@H](C)CC)nnc1-c1cnccn1 ZINC001602936761 1096403588 /nfs/dbraw/zinc/40/35/88/1096403588.db2.gz DXAXYCJRBSPGTH-ZYHUDNBSSA-N -1 0 333.417 2.513 20 30 EFEDRM C=CCn1c(S[C@H](C(=O)[O-])[C@@H](C)CC)nnc1-c1cnccn1 ZINC001602936758 1096404063 /nfs/dbraw/zinc/40/40/63/1096404063.db2.gz DXAXYCJRBSPGTH-JQWIXIFHSA-N -1 0 333.417 2.513 20 30 EFEDRM C=CCn1c(Cc2ccccc2)nnc1SCC(=O)CCC(=O)[O-] ZINC001602935680 1096404224 /nfs/dbraw/zinc/40/42/24/1096404224.db2.gz UETVEHBAMFKRQG-UHFFFAOYSA-N -1 0 345.424 2.581 20 30 EFEDRM CC#CCCCC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001602947243 1096404861 /nfs/dbraw/zinc/40/48/61/1096404861.db2.gz TYHVAWCIPBJHPD-LSDHHAIUSA-N -1 0 335.350 2.785 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)Nc2cc(C#N)ccc2C)c(C(=O)[O-])c1C ZINC001603093780 1096439848 /nfs/dbraw/zinc/43/98/48/1096439848.db2.gz MYUQVGBYLQYRIN-UHFFFAOYSA-N -1 0 339.351 2.585 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001603107682 1096444569 /nfs/dbraw/zinc/44/45/69/1096444569.db2.gz PZMSAFBGUAEMAT-UHFFFAOYSA-N -1 0 339.351 2.831 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCCSC2)o1 ZINC001603122690 1096451388 /nfs/dbraw/zinc/45/13/88/1096451388.db2.gz SNBUASUXSGIRLJ-VIFPVBQESA-N -1 0 335.437 2.693 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001603132275 1096454642 /nfs/dbraw/zinc/45/46/42/1096454642.db2.gz WDEULQNJVBMJTQ-DJYGCBNOSA-N -1 0 326.308 2.921 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001603131929 1096455181 /nfs/dbraw/zinc/45/51/81/1096455181.db2.gz OTAHMZUODUWEBF-FZMZJTMJSA-N -1 0 333.388 2.988 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001603131894 1096455237 /nfs/dbraw/zinc/45/52/37/1096455237.db2.gz NZZDRPQGAKJRKT-YPMHNXCESA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001603188532 1096469273 /nfs/dbraw/zinc/46/92/73/1096469273.db2.gz ZQSYYPXEOREKFS-MEDUHNTESA-N -1 0 326.327 2.889 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(C#N)ccc2F)n1 ZINC001603281116 1096494547 /nfs/dbraw/zinc/49/45/47/1096494547.db2.gz MRZUMKDMADIHHC-UHFFFAOYSA-N -1 0 333.344 2.768 20 30 EFEDRM CC(C)(C)c1cc2n(n1)CCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001603532729 1096545836 /nfs/dbraw/zinc/54/58/36/1096545836.db2.gz DZMARMFJWRJRHW-QGZVFWFLSA-N -1 0 338.411 2.694 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001603744932 1096611801 /nfs/dbraw/zinc/61/18/01/1096611801.db2.gz WUXMKJCNIOKXKK-INIZCTEOSA-N -1 0 332.400 2.579 20 30 EFEDRM CC(C)CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(C#N)cc1 ZINC001603801049 1096632067 /nfs/dbraw/zinc/63/20/67/1096632067.db2.gz ACFHRCDQSFHGMK-DLBZAZTESA-N -1 0 344.411 2.960 20 30 EFEDRM C[C@H]1C[C@@H](CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603850970 1096645603 /nfs/dbraw/zinc/64/56/03/1096645603.db2.gz OSSQMPNPSSSJBD-NWDGAFQWSA-N -1 0 340.435 2.793 20 30 EFEDRM CC(C)O[C@H](Cn1cc(C(=O)[O-])cc(C#N)c1=O)c1ccccc1 ZINC001603911727 1096667964 /nfs/dbraw/zinc/66/79/64/1096667964.db2.gz AOTISEHMUIRHMY-MRXNPFEDSA-N -1 0 326.352 2.584 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001603937643 1096675426 /nfs/dbraw/zinc/67/54/26/1096675426.db2.gz ASMKLLGULKSQFB-UHFFFAOYSA-N -1 0 343.339 2.958 20 30 EFEDRM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001603965030 1096684578 /nfs/dbraw/zinc/68/45/78/1096684578.db2.gz HJJOOZFTKLPUAS-SNVBAGLBSA-N -1 0 347.423 2.757 20 30 EFEDRM CC(C)c1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nn1C(C)(C)C ZINC001603988051 1096689882 /nfs/dbraw/zinc/68/98/82/1096689882.db2.gz HXMSQHNYLHXBOT-UHFFFAOYSA-N -1 0 346.431 2.592 20 30 EFEDRM C[C@@H](CC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001604061332 1096714942 /nfs/dbraw/zinc/71/49/42/1096714942.db2.gz SETHBOBEXPPHRT-QMMMGPOBSA-N -1 0 330.262 2.814 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001604060466 1096715197 /nfs/dbraw/zinc/71/51/97/1096715197.db2.gz MMPDTAZBSPNKLV-GFCCVEGCSA-N -1 0 330.388 2.799 20 30 EFEDRM C[C@H](CC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001604061328 1096715619 /nfs/dbraw/zinc/71/56/19/1096715619.db2.gz SETHBOBEXPPHRT-MRVPVSSYSA-N -1 0 330.262 2.814 20 30 EFEDRM C[C@@H](CC#N)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604060478 1096715671 /nfs/dbraw/zinc/71/56/71/1096715671.db2.gz MRQREWXKDBBQDQ-RTHLEPHNSA-N -1 0 329.183 2.959 20 30 EFEDRM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(C(=O)[O-])nc1C#N ZINC001604131203 1096746067 /nfs/dbraw/zinc/74/60/67/1096746067.db2.gz GIICRHCYFVMKCV-QFYYESIMSA-N -1 0 329.331 2.715 20 30 EFEDRM C[C@@H](CCc1ccccc1F)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001604148807 1096752812 /nfs/dbraw/zinc/75/28/12/1096752812.db2.gz NMRLZUYXJNRVMN-ZDUSSCGKSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C(C)(C)C ZINC001604158695 1096757784 /nfs/dbraw/zinc/75/77/84/1096757784.db2.gz MSCVYPDNJHFLGR-LLVKDONJSA-N -1 0 338.429 2.559 20 30 EFEDRM CCCCCCCn1cc(Br)cc(-c2nnn[n-]2)c1=O ZINC001604176934 1096762950 /nfs/dbraw/zinc/76/29/50/1096762950.db2.gz ZXXJXHBRZHHZKQ-UHFFFAOYSA-N -1 0 340.225 2.761 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001604217868 1096776034 /nfs/dbraw/zinc/77/60/34/1096776034.db2.gz RHWFNHGPLJVWBE-WMLDXEAASA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001604217762 1096776142 /nfs/dbraw/zinc/77/61/42/1096776142.db2.gz ODAUEMBKEWMESL-CQSZACIVSA-N -1 0 328.412 2.983 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001604218039 1096776395 /nfs/dbraw/zinc/77/63/95/1096776395.db2.gz XEBLFAQPVKPSRS-ZSGPHXLJSA-N -1 0 340.423 2.839 20 30 EFEDRM C[C@@H](NC(=O)C#Cc1cccs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604255608 1096787432 /nfs/dbraw/zinc/78/74/32/1096787432.db2.gz IXNCLBJKBWSZDB-CJNGLKHVSA-N -1 0 327.405 2.548 20 30 EFEDRM C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001604283899 1096795316 /nfs/dbraw/zinc/79/53/16/1096795316.db2.gz VDCFXTIHAYNLNC-QITLCBANSA-N -1 0 327.384 2.516 20 30 EFEDRM C[C@@H](NC(=O)NC(C)(C)c1nocc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604286502 1096795708 /nfs/dbraw/zinc/79/57/08/1096795708.db2.gz LDLJVLBOCCUZSD-SNVBAGLBSA-N -1 0 342.355 2.540 20 30 EFEDRM C[C@H](NC(=O)c1ccc(C#N)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604309053 1096802185 /nfs/dbraw/zinc/80/21/85/1096802185.db2.gz KYWNPHQNKASFOZ-BLLLJJGKSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@](O)(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001604367013 1096830204 /nfs/dbraw/zinc/83/02/04/1096830204.db2.gz IPTSTQKQUMHDPJ-MJGOQNOKSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001604426372 1096848904 /nfs/dbraw/zinc/84/89/04/1096848904.db2.gz DOWXIPYLDIYPFA-BLLLJJGKSA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001604426923 1096849578 /nfs/dbraw/zinc/84/95/78/1096849578.db2.gz KLWRZAKKZVWXSG-HZMBPMFUSA-N -1 0 331.349 2.756 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1F)C(=O)[O-] ZINC001604438840 1096853894 /nfs/dbraw/zinc/85/38/94/1096853894.db2.gz MKCAUOYHFRNZFU-WOPDTQHZSA-N -1 0 349.362 2.881 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)N(C)c1cc(C#N)ccn1)C(=O)[O-] ZINC001604450892 1096861742 /nfs/dbraw/zinc/86/17/42/1096861742.db2.gz YVERFHIOYOTBLG-NSHDSACASA-N -1 0 341.392 2.795 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)N(C)c1cc(C#N)ccn1)C(=O)[O-] ZINC001604450887 1096863016 /nfs/dbraw/zinc/86/30/16/1096863016.db2.gz YVERFHIOYOTBLG-LLVKDONJSA-N -1 0 341.392 2.795 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001604483826 1096876210 /nfs/dbraw/zinc/87/62/10/1096876210.db2.gz YVCCRKULNJKBRL-CQSZACIVSA-N -1 0 325.727 2.945 20 30 EFEDRM CC1(C)C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C(C)(C)O1 ZINC001604513368 1096886414 /nfs/dbraw/zinc/88/64/14/1096886414.db2.gz NXCLLZVGRBULNU-UONOGXRCSA-N -1 0 331.368 2.821 20 30 EFEDRM CCc1oc2ccccc2c1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001604587252 1096910167 /nfs/dbraw/zinc/91/01/67/1096910167.db2.gz AKNQLOZNCUAVJT-UHFFFAOYSA-N -1 0 337.343 2.918 20 30 EFEDRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC[C@@H]1C(=O)[O-] ZINC001604590629 1096910560 /nfs/dbraw/zinc/91/05/60/1096910560.db2.gz DUQCLLGUDDUQHP-MKSNKDDYSA-N -1 0 326.396 2.811 20 30 EFEDRM C[C@@H]1CC[C@](NC(=O)c2ccc(C#N)cn2)(C(=O)[O-])c2ccccc21 ZINC001604703290 1096935032 /nfs/dbraw/zinc/93/50/32/1096935032.db2.gz HXXXWCPEOBIIGZ-CWTRNNRKSA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@H]1CCCC[C@H]1N(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001604723890 1096941257 /nfs/dbraw/zinc/94/12/57/1096941257.db2.gz FLXXWABKDSLKJX-XJKSGUPXSA-N -1 0 332.400 2.772 20 30 EFEDRM C[C@@H]1CCc2nc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c(C#N)cc2C1 ZINC001604766589 1096950444 /nfs/dbraw/zinc/95/04/44/1096950444.db2.gz IRHMXXYLNPPIFQ-GRYCIOLGSA-N -1 0 327.384 2.517 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](CC(F)(F)F)O1 ZINC001604799827 1096958751 /nfs/dbraw/zinc/95/87/51/1096958751.db2.gz MSXNHZSYTMBBMW-ZYHUDNBSSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@H]1Cc2c(C#N)c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)sc2[C@@H](C)C1 ZINC001604825901 1096966649 /nfs/dbraw/zinc/96/66/49/1096966649.db2.gz VLHKCGREAPQIAI-DTVLGXAZSA-N -1 0 348.424 2.876 20 30 EFEDRM CCC(C#N)(CC)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001604864414 1096972213 /nfs/dbraw/zinc/97/22/13/1096972213.db2.gz FMIQSWFQKLVKCU-GFCCVEGCSA-N -1 0 346.383 2.893 20 30 EFEDRM CC[C@H](C#N)[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1cccs1 ZINC001604865236 1096972234 /nfs/dbraw/zinc/97/22/34/1096972234.db2.gz WMWFWROYQBZECV-NOZJJQNGSA-N -1 0 333.369 2.628 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001604864468 1096972510 /nfs/dbraw/zinc/97/25/10/1096972510.db2.gz MBOGVQFQXKMEOS-ZDUSSCGKSA-N -1 0 342.351 2.518 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604865230 1096972553 /nfs/dbraw/zinc/97/25/53/1096972553.db2.gz RCDZZJHVWBWWAV-LLVKDONJSA-N -1 0 335.429 2.877 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001604887051 1096975153 /nfs/dbraw/zinc/97/51/53/1096975153.db2.gz BAHLYTNHLUXIJX-QFYYESIMSA-N -1 0 342.317 2.546 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc(C#N)cc1 ZINC001604887836 1096975574 /nfs/dbraw/zinc/97/55/74/1096975574.db2.gz KPIRRYCHYIXCQW-LJQANCHMSA-N -1 0 328.412 2.983 20 30 EFEDRM CCC(CC)(C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001604986497 1096994206 /nfs/dbraw/zinc/99/42/06/1096994206.db2.gz SDNMWSBYFHBLNT-UHFFFAOYSA-N -1 0 328.412 2.961 20 30 EFEDRM COC(=O)c1csc(C(C)=NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001604990349 1096994893 /nfs/dbraw/zinc/99/48/93/1096994893.db2.gz QPUXMAKAXLNFIQ-UHFFFAOYSA-N -1 0 342.384 2.551 20 30 EFEDRM CO[C@@H]1CCCC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CC1 ZINC001605029296 1097004794 /nfs/dbraw/zinc/00/47/94/1097004794.db2.gz MVTLMJIPDVRZSX-GFCCVEGCSA-N -1 0 347.423 2.800 20 30 EFEDRM CC[C@@](CNC(=O)c1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605038548 1097008705 /nfs/dbraw/zinc/00/87/05/1097008705.db2.gz ZZZSBEKLQLIRMV-IBGZPJMESA-N -1 0 340.354 2.860 20 30 EFEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001605085302 1097018465 /nfs/dbraw/zinc/01/84/65/1097018465.db2.gz OWVWLWFZACFLEP-HNNXBMFYSA-N -1 0 345.399 2.546 20 30 EFEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1OC ZINC001605085246 1097018816 /nfs/dbraw/zinc/01/88/16/1097018816.db2.gz OMFGWZKJGCQXEO-AWEZNQCLSA-N -1 0 345.399 2.546 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(F)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605085908 1097019477 /nfs/dbraw/zinc/01/94/77/1097019477.db2.gz OXFMCIMKKWQALX-SFHVURJKSA-N -1 0 326.327 2.817 20 30 EFEDRM CCC[C@H](C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001605192850 1097047759 /nfs/dbraw/zinc/04/77/59/1097047759.db2.gz PDQXHUBFUHFETP-LLVKDONJSA-N -1 0 332.381 2.509 20 30 EFEDRM CCCCC[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605260304 1097071730 /nfs/dbraw/zinc/07/17/30/1097071730.db2.gz NSNTVYFVVVGKOQ-MRXNPFEDSA-N -1 0 340.383 2.507 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2cc(C(=O)[O-])co2)C1=O ZINC001605266342 1097074154 /nfs/dbraw/zinc/07/41/54/1097074154.db2.gz GBSVVBZVNWMJQA-KRWDZBQOSA-N -1 0 349.387 2.983 20 30 EFEDRM CCN(C(=O)CCc1ocnc1C(=O)[O-])c1ccc(C#N)c(Cl)c1 ZINC001605395804 1097116782 /nfs/dbraw/zinc/11/67/82/1097116782.db2.gz IJXGUVIZEDJYDJ-UHFFFAOYSA-N -1 0 347.758 2.884 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001605657355 1097182102 /nfs/dbraw/zinc/18/21/02/1097182102.db2.gz YAUGORAIVNDXIU-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001605677771 1097191812 /nfs/dbraw/zinc/19/18/12/1097191812.db2.gz LYKYPKLOPWQZPJ-UHFFFAOYSA-N -1 0 343.339 2.878 20 30 EFEDRM CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001605715733 1097205544 /nfs/dbraw/zinc/20/55/44/1097205544.db2.gz ZYFRYBGROSKBRT-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM CCSc1cccc(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001605745917 1097214090 /nfs/dbraw/zinc/21/40/90/1097214090.db2.gz DDPKYAOUXDXNTM-UHFFFAOYSA-N -1 0 347.440 2.699 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001605754804 1097215980 /nfs/dbraw/zinc/21/59/80/1097215980.db2.gz ZKNFPWKLSIAFKZ-BBRMVZONSA-N -1 0 328.412 2.986 20 30 EFEDRM CCc1[nH]c(C(=O)NCc2ccc(CC#N)cc2)c(C)c1C(=O)[O-] ZINC001605767070 1097219948 /nfs/dbraw/zinc/21/99/48/1097219948.db2.gz LZGNRVGEIVDFGU-UHFFFAOYSA-N -1 0 325.368 2.580 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001605807694 1097234139 /nfs/dbraw/zinc/23/41/39/1097234139.db2.gz QJGTVEILYAAIHP-UHFFFAOYSA-N -1 0 331.349 2.587 20 30 EFEDRM CCc1ccc([C@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(C)=O)cc1 ZINC001605810159 1097234866 /nfs/dbraw/zinc/23/48/66/1097234866.db2.gz QPOZGNLCUGKLKG-MRXNPFEDSA-N -1 0 342.395 2.653 20 30 EFEDRM CCc1nc(C#N)cc(Oc2cc(/C=C/C(=O)[O-])ccc2OC)n1 ZINC001605844778 1097249819 /nfs/dbraw/zinc/24/98/19/1097249819.db2.gz UBNLUWHXSOZSTO-FNORWQNLSA-N -1 0 325.324 2.809 20 30 EFEDRM Cc1ccccc1CC1CN(c2c(C#N)cccc2-c2nn[nH]n2)C1 ZINC001605939116 1097281314 /nfs/dbraw/zinc/28/13/14/1097281314.db2.gz IUHTWFZMZBTHFM-UHFFFAOYSA-N -1 0 330.395 2.726 20 30 EFEDRM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001605958189 1097286630 /nfs/dbraw/zinc/28/66/30/1097286630.db2.gz WKDAJFUSSZSDIA-GFCCVEGCSA-N -1 0 329.381 2.892 20 30 EFEDRM CN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1cc(Cl)ccc1C#N ZINC001605977771 1097290559 /nfs/dbraw/zinc/29/05/59/1097290559.db2.gz SPWATSZSBYVLJM-GXTWGEPZSA-N -1 0 336.775 2.587 20 30 EFEDRM Cc1cnc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001605978669 1097291499 /nfs/dbraw/zinc/29/14/99/1097291499.db2.gz ASVRFFNQTZAYHF-UHFFFAOYSA-N -1 0 346.782 2.781 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC001606001824 1097295358 /nfs/dbraw/zinc/29/53/58/1097295358.db2.gz XCBKSAZRCDAJPI-SNVBAGLBSA-N -1 0 344.787 2.775 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001606043222 1097305611 /nfs/dbraw/zinc/30/56/11/1097305611.db2.gz AFQJSGXOWVDDGQ-HNNXBMFYSA-N -1 0 343.427 2.587 20 30 EFEDRM CN(C)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001606050862 1097306430 /nfs/dbraw/zinc/30/64/30/1097306430.db2.gz MVXZZWAKVGTORG-UHFFFAOYSA-N -1 0 342.326 2.819 20 30 EFEDRM CN(C)c1ccc(OCCOc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001606060421 1097310653 /nfs/dbraw/zinc/31/06/53/1097310653.db2.gz JNJBREAYLHWTCM-UHFFFAOYSA-N -1 0 326.352 2.780 20 30 EFEDRM CN(C[C@@H](O)c1cccc(C#N)c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001606096677 1097318307 /nfs/dbraw/zinc/31/83/07/1097318307.db2.gz ZJAZMSSFJYSCJA-SNVBAGLBSA-N -1 0 337.788 2.536 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001606150193 1097329378 /nfs/dbraw/zinc/32/93/78/1097329378.db2.gz NTXLVBBYLFZEGL-UHFFFAOYSA-N -1 0 334.375 2.947 20 30 EFEDRM CN(Cc1ccc(N2CCCC2)cc1)c1ccc(C(=O)[O-])nc1C#N ZINC001606160710 1097332805 /nfs/dbraw/zinc/33/28/05/1097332805.db2.gz YNJXMPZQVATXKK-UHFFFAOYSA-N -1 0 336.395 2.888 20 30 EFEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)Cc1ccccc1[N+](=O)[O-] ZINC001606170128 1097336850 /nfs/dbraw/zinc/33/68/50/1097336850.db2.gz STZXLDXUVBAQMU-UHFFFAOYSA-N -1 0 325.324 2.797 20 30 EFEDRM O=[P@]([O-])(O)C1(Nc2cccc(/C=N/O)c2)Cc2ccccc2C1 ZINC001167937565 1097366990 /nfs/dbraw/zinc/36/69/90/1097366990.db2.gz DYLUQJKBBVVKEO-GZTJUZNOSA-N -1 0 332.296 2.579 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)c1ccccc1O ZINC001075670739 1097371823 /nfs/dbraw/zinc/37/18/23/1097371823.db2.gz KHVXDFLMRJMRBC-AWEZNQCLSA-N -1 0 330.428 2.785 20 30 EFEDRM N#Cc1ncc(N[C@@H](C2CCC2)C2CCCCC2)nc1-c1nnn[n-]1 ZINC001606398283 1097398051 /nfs/dbraw/zinc/39/80/51/1097398051.db2.gz UXXVOIAZZKRYHM-OAHLLOKOSA-N -1 0 338.419 2.689 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(C)c(C(=O)[O-])c2)n(C)c1C ZINC001606540017 1097416516 /nfs/dbraw/zinc/41/65/16/1097416516.db2.gz KGSFPZABGDXVTP-UHFFFAOYSA-N -1 0 329.356 2.573 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(OC)c(C#N)c2)ccc1C(=O)[O-] ZINC001606559062 1097419243 /nfs/dbraw/zinc/41/92/43/1097419243.db2.gz ABPQZXMXEFDOQC-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1ccc(SCc2ccccc2C(=O)[O-])c(C#N)n1 ZINC001606606110 1097428054 /nfs/dbraw/zinc/42/80/54/1097428054.db2.gz VMTJUHYOBSSCJT-UHFFFAOYSA-N -1 0 328.349 2.730 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1cc(C(=O)[O-])oc1C ZINC001606910923 1097472015 /nfs/dbraw/zinc/47/20/15/1097472015.db2.gz WIUKQTNGTPZSED-UHFFFAOYSA-N -1 0 330.340 2.795 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001607064809 1097503926 /nfs/dbraw/zinc/50/39/26/1097503926.db2.gz CBQHGSGINQRGOF-QMMMGPOBSA-N -1 0 346.368 2.604 20 30 EFEDRM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC001607073364 1097505490 /nfs/dbraw/zinc/50/54/90/1097505490.db2.gz DUTVYZNHETYLBF-SJKOYZFVSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C(=O)OCc2cc(C(=O)[O-])ccc2C)ccc1C#N ZINC001607145216 1097542214 /nfs/dbraw/zinc/54/22/14/1097542214.db2.gz HRMNFCPATANPPS-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COc1cc(C)c(C)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607146609 1097543178 /nfs/dbraw/zinc/54/31/78/1097543178.db2.gz BIOAKTNGYUCGGI-UHFFFAOYSA-N -1 0 331.372 2.534 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])cc2c1OCCO2 ZINC001607154077 1097545064 /nfs/dbraw/zinc/54/50/64/1097545064.db2.gz YNBVMTCHLCCXNN-UHFFFAOYSA-N -1 0 346.314 2.750 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(C)c(C#N)cn1 ZINC001607153516 1097545596 /nfs/dbraw/zinc/54/55/96/1097545596.db2.gz DTRGKTOEXBUJQI-GQCTYLIASA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(CN(C)CCC#N)c(Br)cc1C(=O)[O-] ZINC001607155886 1097545928 /nfs/dbraw/zinc/54/59/28/1097545928.db2.gz KJDGWLONSVDPDN-UHFFFAOYSA-N -1 0 327.178 2.501 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001607162343 1097547821 /nfs/dbraw/zinc/54/78/21/1097547821.db2.gz RLMSKALWBPAHHW-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1cc(F)c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1OC ZINC001607168357 1097549445 /nfs/dbraw/zinc/54/94/45/1097549445.db2.gz MPACJTXSWXBVOU-SNAWJCMRSA-N -1 0 333.315 2.776 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(F)cc1C#N ZINC001607175569 1097550947 /nfs/dbraw/zinc/55/09/47/1097550947.db2.gz URJQLBVXKFYSTN-NSHDSACASA-N -1 0 349.362 2.815 20 30 EFEDRM COc1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c(F)cc1C#N ZINC001607175752 1097551433 /nfs/dbraw/zinc/55/14/33/1097551433.db2.gz AKUTYZAVOSIQQD-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1cc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001607181527 1097554064 /nfs/dbraw/zinc/55/40/64/1097554064.db2.gz DYRTXPWFXMFOBX-NSHDSACASA-N -1 0 340.335 2.671 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1CON=Cc1ccc(C(=O)[O-])cc1 ZINC001607191926 1097556748 /nfs/dbraw/zinc/55/67/48/1097556748.db2.gz RSKDSMRATPRBMW-UHFFFAOYSA-N -1 0 330.296 2.852 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001607223139 1097565649 /nfs/dbraw/zinc/56/56/49/1097565649.db2.gz REJBNHBLPNRHNN-INIZCTEOSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1C#N ZINC001607274889 1097581572 /nfs/dbraw/zinc/58/15/72/1097581572.db2.gz RDTUQVYCZZCDFA-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(F)c(C#N)c1 ZINC001607305233 1097591726 /nfs/dbraw/zinc/59/17/26/1097591726.db2.gz CNRVQDRXGXPLQJ-UHFFFAOYSA-N -1 0 328.299 2.681 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(C#N)cc2C)c1 ZINC001607307541 1097593703 /nfs/dbraw/zinc/59/37/03/1097593703.db2.gz FNQBPVVIQQVDRM-QGZVFWFLSA-N -1 0 338.363 2.773 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(CC#N)cc2)c1 ZINC001607307526 1097593708 /nfs/dbraw/zinc/59/37/08/1097593708.db2.gz FECPZYLBDNCKQY-KRWDZBQOSA-N -1 0 338.363 2.659 20 30 EFEDRM COc1cccc2c1ncc(C)c2N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607334218 1097605261 /nfs/dbraw/zinc/60/52/61/1097605261.db2.gz UZCDIMXXQYSRPN-UHFFFAOYSA-N -1 0 325.368 2.747 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001607483974 1097638016 /nfs/dbraw/zinc/63/80/16/1097638016.db2.gz BOIPFPPRJPUAOL-HNNXBMFYSA-N -1 0 340.383 2.599 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001607485973 1097638823 /nfs/dbraw/zinc/63/88/23/1097638823.db2.gz YDSMELFRUADHSE-CYBMUJFWSA-N -1 0 335.722 2.543 20 30 EFEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])co2)nnn1-c1ccc(F)cc1 ZINC001607503625 1097645207 /nfs/dbraw/zinc/64/52/07/1097645207.db2.gz IFXFRFOKXXDGSI-VOTSOKGWSA-N -1 0 341.298 2.902 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ocnc1C(=O)[O-] ZINC001607509017 1097645631 /nfs/dbraw/zinc/64/56/31/1097645631.db2.gz FEXZVJKHNSUJBE-UHFFFAOYSA-N -1 0 341.348 2.698 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2ccc(C(F)(F)F)cn2)n1C ZINC001607511098 1097646664 /nfs/dbraw/zinc/64/66/64/1097646664.db2.gz LFUGHSPJCNWKSU-UHFFFAOYSA-N -1 0 326.278 2.892 20 30 EFEDRM Cc1c(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)cnn1CCC#N ZINC001607510485 1097646911 /nfs/dbraw/zinc/64/69/11/1097646911.db2.gz RGJKMCBGKRXDBF-UHFFFAOYSA-N -1 0 349.350 2.604 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc(OC(F)F)cc2)c(C(=O)[O-])nn1C ZINC001607525585 1097651030 /nfs/dbraw/zinc/65/10/30/1097651030.db2.gz ZUSDKRZVSQPAIR-FPLPWBNLSA-N -1 0 336.294 2.924 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc(OC(F)F)cc2)c(C(=O)[O-])nn1C ZINC001607525583 1097651159 /nfs/dbraw/zinc/65/11/59/1097651159.db2.gz ZUSDKRZVSQPAIR-BQYQJAHWSA-N -1 0 336.294 2.924 20 30 EFEDRM Cc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cnn1CC(=O)[O-] ZINC001607551318 1097659178 /nfs/dbraw/zinc/65/91/78/1097659178.db2.gz HYBWNLMVCRUWKJ-UHFFFAOYSA-N -1 0 349.803 2.610 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001607564778 1097661967 /nfs/dbraw/zinc/66/19/67/1097661967.db2.gz SZWVCHIRAFTYKM-KRWDZBQOSA-N -1 0 336.391 2.991 20 30 EFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC001607566178 1097662603 /nfs/dbraw/zinc/66/26/03/1097662603.db2.gz MWWCRWVDGZUFBC-INIZCTEOSA-N -1 0 336.347 2.958 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001607565766 1097662612 /nfs/dbraw/zinc/66/26/12/1097662612.db2.gz GOXZLLDLQHTJJG-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001607565815 1097662640 /nfs/dbraw/zinc/66/26/40/1097662640.db2.gz INHREGCEMSSOJR-UHFFFAOYSA-N -1 0 332.262 2.595 20 30 EFEDRM Cc1cc(C(=O)CN(C)CCC#N)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC001607567886 1097662697 /nfs/dbraw/zinc/66/26/97/1097662697.db2.gz UZSOKDQCBYWZSC-UHFFFAOYSA-N -1 0 339.395 2.821 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001607566207 1097662889 /nfs/dbraw/zinc/66/28/89/1097662889.db2.gz OUHMUMUCWCFZOU-INIZCTEOSA-N -1 0 349.390 2.810 20 30 EFEDRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)ncc1C#N ZINC001607570463 1097663691 /nfs/dbraw/zinc/66/36/91/1097663691.db2.gz XUUJHJTUWMNTFA-UHFFFAOYSA-N -1 0 343.770 2.642 20 30 EFEDRM Cc1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001607583141 1097666088 /nfs/dbraw/zinc/66/60/88/1097666088.db2.gz AGCGGQCJHYJYAC-UHFFFAOYSA-N -1 0 349.350 2.639 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC001607618013 1097678748 /nfs/dbraw/zinc/67/87/48/1097678748.db2.gz OZJZKKSUAZPKBD-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1cc(C)cc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001607628150 1097682375 /nfs/dbraw/zinc/68/23/75/1097682375.db2.gz XGLDZDTYTJUDMX-UHFFFAOYSA-N -1 0 326.352 2.991 20 30 EFEDRM Cc1cc(CN[C@@H](CC#N)C(F)(F)F)cc(C)c1OCC(=O)[O-] ZINC001607646037 1097688408 /nfs/dbraw/zinc/68/84/08/1097688408.db2.gz ATBPDQUVVDWFRC-LBPRGKRZSA-N -1 0 330.306 2.701 20 30 EFEDRM Cc1cc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)ncc1C#N ZINC001607680673 1097697234 /nfs/dbraw/zinc/69/72/34/1097697234.db2.gz FSQAUBVWFLCVKS-UHFFFAOYSA-N -1 0 334.335 2.553 20 30 EFEDRM Cc1cc(N2CCC(C#N)(C(=O)[O-])CC2)c2cccc([N+](=O)[O-])c2n1 ZINC001607685377 1097698865 /nfs/dbraw/zinc/69/88/65/1097698865.db2.gz VVJZOMRINPMMEQ-UHFFFAOYSA-N -1 0 340.339 2.646 20 30 EFEDRM Cc1ccc(C#N)nc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001607724668 1097710240 /nfs/dbraw/zinc/71/02/40/1097710240.db2.gz ZDXGSTPSBNHRJU-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001607724311 1097710341 /nfs/dbraw/zinc/71/03/41/1097710341.db2.gz LLOGKIUJORKUFM-UHFFFAOYSA-N -1 0 337.397 2.610 20 30 EFEDRM Cc1ccc(C(=O)C=CC(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001607725424 1097710625 /nfs/dbraw/zinc/71/06/25/1097710625.db2.gz YXFOWMFJSPKWIP-MDZDMXLPSA-N -1 0 349.346 2.947 20 30 EFEDRM Cc1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1C(=O)[O-] ZINC001607727079 1097711329 /nfs/dbraw/zinc/71/13/29/1097711329.db2.gz FEXKYDQIOYIWQK-HXUWFJFHSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001607731010 1097713143 /nfs/dbraw/zinc/71/31/43/1097713143.db2.gz WXGXEALLEQENLQ-MRXNPFEDSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1ccc(C(=O)[O-])c2c1N(C(=O)c1ccc(C#N)c(C)n1)CCC2 ZINC001607740630 1097715839 /nfs/dbraw/zinc/71/58/39/1097715839.db2.gz PUZXSNLCTDLBST-UHFFFAOYSA-N -1 0 335.363 2.861 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@](C)(C#N)C1 ZINC001607741392 1097716074 /nfs/dbraw/zinc/71/60/74/1097716074.db2.gz XTFORUNTUJVHJH-SCLBCKFNSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)NCc2ccc(C#N)cc2)cc1 ZINC001607753970 1097720448 /nfs/dbraw/zinc/72/04/48/1097720448.db2.gz LGDSNKSMGYNEHI-KRWDZBQOSA-N -1 0 337.379 2.882 20 30 EFEDRM Cc1ccc(O[C@@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc1 ZINC001607812498 1097741273 /nfs/dbraw/zinc/74/12/73/1097741273.db2.gz MCCHSYSKGIPFMP-AEFFLSMTSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc(O[C@@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc1 ZINC001607812500 1097741355 /nfs/dbraw/zinc/74/13/55/1097741355.db2.gz MCCHSYSKGIPFMP-SJLPKXTDSA-N -1 0 337.379 2.541 20 30 EFEDRM Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)CCC2 ZINC001607829411 1097746263 /nfs/dbraw/zinc/74/62/63/1097746263.db2.gz QEJDZSBKPWUUCW-MRXNPFEDSA-N -1 0 341.411 2.772 20 30 EFEDRM Cc1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1Br ZINC001607854041 1097754416 /nfs/dbraw/zinc/75/44/16/1097754416.db2.gz GJVILSZNQZIALX-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC001607928235 1097780133 /nfs/dbraw/zinc/78/01/33/1097780133.db2.gz VCVUUQIYZBRTAC-UHFFFAOYSA-N -1 0 337.378 2.589 20 30 EFEDRM Cc1nc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001607958062 1097788408 /nfs/dbraw/zinc/78/84/08/1097788408.db2.gz GPNGFEDIGGIQKT-JTQLQIEISA-N -1 0 346.364 2.532 20 30 EFEDRM Cc1nc(N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c(Cl)cc1C#N ZINC001607965504 1097790521 /nfs/dbraw/zinc/79/05/21/1097790521.db2.gz NRUZGJVFZUVITM-BGMSHATGSA-N -1 0 335.791 2.739 20 30 EFEDRM Cc1nc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001607963277 1097790627 /nfs/dbraw/zinc/79/06/27/1097790627.db2.gz YWNSVHVLUAQYJJ-SECBINFHSA-N -1 0 329.381 2.839 20 30 EFEDRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC#C[C@H]3CCCCO3)c12 ZINC001607965148 1097791252 /nfs/dbraw/zinc/79/12/52/1097791252.db2.gz AVRUQJNHELIICV-GFCCVEGCSA-N -1 0 345.424 2.991 20 30 EFEDRM Cc1ncc(NC(=O)CSCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001607981631 1097795240 /nfs/dbraw/zinc/79/52/40/1097795240.db2.gz WQLJFDHRUHREQQ-UHFFFAOYSA-N -1 0 341.392 2.832 20 30 EFEDRM Cc1nn(C)c(/C=C\C(=O)c2cc(C(=O)[O-])co2)c1Br ZINC001607997624 1097800578 /nfs/dbraw/zinc/80/05/78/1097800578.db2.gz CJHYZTUJUPPHTQ-ARJAWSKDSA-N -1 0 339.145 2.678 20 30 EFEDRM Cc1nn(C(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607999923 1097801426 /nfs/dbraw/zinc/80/14/26/1097801426.db2.gz QIQGCPBGMSNXJG-HNNXBMFYSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1nn(C(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607999924 1097801793 /nfs/dbraw/zinc/80/17/93/1097801793.db2.gz QIQGCPBGMSNXJG-OAHLLOKOSA-N -1 0 327.340 2.627 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1ccccc1C(=O)[O-] ZINC001608006607 1097802262 /nfs/dbraw/zinc/80/22/62/1097802262.db2.gz IOGBEFFMHMAXDG-UHFFFAOYSA-N -1 0 341.367 2.650 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001608031856 1097810145 /nfs/dbraw/zinc/81/01/45/1097810145.db2.gz QYVHPYKLCVTWPR-UHFFFAOYSA-N -1 0 349.346 2.838 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608031976 1097810915 /nfs/dbraw/zinc/81/09/15/1097810915.db2.gz ZEUYVNLNZAWZCK-SNVBAGLBSA-N -1 0 345.380 2.634 20 30 EFEDRM Cc1oc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001608043323 1097814872 /nfs/dbraw/zinc/81/48/72/1097814872.db2.gz RRIVEZDMTQAPIA-UHFFFAOYSA-N -1 0 346.343 2.855 20 30 EFEDRM Cc1oc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C(=O)[O-] ZINC001608049319 1097817327 /nfs/dbraw/zinc/81/73/27/1097817327.db2.gz CRWOXTGQXCTSGD-SFHVURJKSA-N -1 0 339.395 2.669 20 30 EFEDRM Cc1sc([C@H]2CCCN2Cc2ccc(C#N)cn2)nc1C(=O)[O-] ZINC001608067372 1097823704 /nfs/dbraw/zinc/82/37/04/1097823704.db2.gz HOJAKIHWMLWXMK-CYBMUJFWSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001608080765 1097827863 /nfs/dbraw/zinc/82/78/63/1097827863.db2.gz OKOGAQGHSQOGDX-UHFFFAOYSA-N -1 0 332.385 2.601 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001608081386 1097828386 /nfs/dbraw/zinc/82/83/86/1097828386.db2.gz ZLQYRCHIYQAOSL-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608084777 1097829205 /nfs/dbraw/zinc/82/92/05/1097829205.db2.gz FLNUQMGVUJCLGA-XQQFMLRXSA-N -1 0 325.368 2.641 20 30 EFEDRM Cn1cc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)cc1C(=O)[O-] ZINC001608106686 1097836305 /nfs/dbraw/zinc/83/63/05/1097836305.db2.gz GLOCNLSHOLIVOA-UHFFFAOYSA-N -1 0 345.746 2.873 20 30 EFEDRM Cn1cc(CN(CC#N)CCC(=O)[O-])c(-c2cc3ccccc3o2)n1 ZINC001608112898 1097837275 /nfs/dbraw/zinc/83/72/75/1097837275.db2.gz RNFHQLWEFBQNLK-UHFFFAOYSA-N -1 0 338.367 2.634 20 30 EFEDRM Cn1cc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)nn1 ZINC001608114643 1097838963 /nfs/dbraw/zinc/83/89/63/1097838963.db2.gz YQILZGQJNZPYLV-UHFFFAOYSA-N -1 0 332.363 2.525 20 30 EFEDRM N#CC(C(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cnc2ccccc2n1 ZINC001608170425 1097850090 /nfs/dbraw/zinc/85/00/90/1097850090.db2.gz NYGUXNAHBDOJFE-RMEHTXHKSA-N -1 0 335.363 2.841 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC001608170907 1097850646 /nfs/dbraw/zinc/85/06/46/1097850646.db2.gz BJTNMUAIJXASGV-UHFFFAOYSA-N -1 0 332.787 2.589 20 30 EFEDRM N#C[C@]1(C(=O)NCc2ccccc2CC(=O)[O-])CC2CCC1CC2 ZINC001608172607 1097850668 /nfs/dbraw/zinc/85/06/68/1097850668.db2.gz ZEGKQWVOTIQBKK-NSRCDFIJSA-N -1 0 326.396 2.650 20 30 EFEDRM N#C[C@]1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC12CCCC2 ZINC001608171606 1097850739 /nfs/dbraw/zinc/85/07/39/1097850739.db2.gz CLDBZJGFNCWFPZ-ZETOZRRWSA-N -1 0 344.333 2.572 20 30 EFEDRM N#C[C@@]1(C(=O)NCc2ccccc2CC(=O)[O-])CC2CCC1CC2 ZINC001608172608 1097850769 /nfs/dbraw/zinc/85/07/69/1097850769.db2.gz ZEGKQWVOTIQBKK-ZVYVSMAVSA-N -1 0 326.396 2.650 20 30 EFEDRM N#CC1(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])CCSCC1 ZINC001608171680 1097850991 /nfs/dbraw/zinc/85/09/91/1097850991.db2.gz FTVCEHOOAUFYPH-UHFFFAOYSA-N -1 0 329.381 2.842 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001608171357 1097851160 /nfs/dbraw/zinc/85/11/60/1097851160.db2.gz KTFAGUQKLYTSRE-UHFFFAOYSA-N -1 0 341.194 2.753 20 30 EFEDRM N#CC1(CCCCS(=O)(=O)Cc2cccc(C(=O)[O-])n2)CCC1 ZINC001608175484 1097851627 /nfs/dbraw/zinc/85/16/27/1097851627.db2.gz YPBQEKMUEILOPJ-UHFFFAOYSA-N -1 0 336.413 2.559 20 30 EFEDRM N#CC1(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])CC1 ZINC001608174889 1097851811 /nfs/dbraw/zinc/85/18/11/1097851811.db2.gz GPBNRCKNPDNCHS-ZDUSSCGKSA-N -1 0 335.201 2.564 20 30 EFEDRM N#C[C@]1(C(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)CC12CCCC2 ZINC001608175656 1097851904 /nfs/dbraw/zinc/85/19/04/1097851904.db2.gz FJPGKPUFWGZTSH-SFHVURJKSA-N -1 0 327.336 2.585 20 30 EFEDRM N#CC1(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)CCCCC1 ZINC001608175112 1097852018 /nfs/dbraw/zinc/85/20/18/1097852018.db2.gz PJBIMHPTADSHEZ-UHFFFAOYSA-N -1 0 336.417 2.756 20 30 EFEDRM N#CC1(CCS(=O)(=O)Cc2cccc(C(=O)[O-])n2)CCCCC1 ZINC001608175133 1097852025 /nfs/dbraw/zinc/85/20/25/1097852025.db2.gz QGXUHTPGRRPQTQ-UHFFFAOYSA-N -1 0 336.413 2.559 20 30 EFEDRM N#CC1(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCCCC1 ZINC001608174726 1097852129 /nfs/dbraw/zinc/85/21/29/1097852129.db2.gz BLFQPSMSGOCCNO-UHFFFAOYSA-N -1 0 339.395 2.999 20 30 EFEDRM N#CC1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCCC1 ZINC001608174849 1097852156 /nfs/dbraw/zinc/85/21/56/1097852156.db2.gz DLBSLYDWNFCYME-KXBFYZLASA-N -1 0 326.396 2.835 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC001608174584 1097852235 /nfs/dbraw/zinc/85/22/35/1097852235.db2.gz SCBFOEXQRGKSGA-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM N#C[C@@H](COC(=O)c1csc(C(=O)[O-])n1)Cc1ccc(F)cc1 ZINC001608174211 1097852258 /nfs/dbraw/zinc/85/22/58/1097852258.db2.gz VDSVEBHSHJQZCP-JTQLQIEISA-N -1 0 334.328 2.520 20 30 EFEDRM N#C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cccc(C(F)(F)F)c1 ZINC001608174107 1097852280 /nfs/dbraw/zinc/85/22/80/1097852280.db2.gz SBCXBBNPIAWVOA-QGLTVNCISA-N -1 0 338.285 2.641 20 30 EFEDRM N#CC1(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)CCCCC1 ZINC001608175489 1097852348 /nfs/dbraw/zinc/85/23/48/1097852348.db2.gz CAVDFDFWMIXVNX-UHFFFAOYSA-N -1 0 336.417 2.748 20 30 EFEDRM N#CCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1Br ZINC001608180291 1097852877 /nfs/dbraw/zinc/85/28/77/1097852877.db2.gz KXGBBAQLYOPQNZ-LBPRGKRZSA-N -1 0 326.146 2.812 20 30 EFEDRM N#CCC1(CNS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)CC1 ZINC001608177904 1097853161 /nfs/dbraw/zinc/85/31/61/1097853161.db2.gz GDXKJZAYXHQSPY-UHFFFAOYSA-N -1 0 344.392 2.510 20 30 EFEDRM N#CCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001608179923 1097853367 /nfs/dbraw/zinc/85/33/67/1097853367.db2.gz CUMXWAMIEFESBP-INIZCTEOSA-N -1 0 327.384 2.754 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC001608178189 1097853440 /nfs/dbraw/zinc/85/34/40/1097853440.db2.gz LDEBLMYBPGBPNJ-MUQADHOPSA-N -1 0 326.396 2.786 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC001608183624 1097853791 /nfs/dbraw/zinc/85/37/91/1097853791.db2.gz IXECVIVNEMTQTE-GOSISDBHSA-N -1 0 338.363 2.634 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC001608185494 1097853928 /nfs/dbraw/zinc/85/39/28/1097853928.db2.gz UWNINDDCUGUGLH-UHFFFAOYSA-N -1 0 338.363 2.630 20 30 EFEDRM N#CCSCCCOC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001608186962 1097854028 /nfs/dbraw/zinc/85/40/28/1097854028.db2.gz HGCVBWVGQWSBGM-UHFFFAOYSA-N -1 0 332.381 2.599 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001608184303 1097854385 /nfs/dbraw/zinc/85/43/85/1097854385.db2.gz NMNSGZQIWSKKGT-UHFFFAOYSA-N -1 0 338.367 2.656 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1oc2ccccc2c1Br ZINC001608186585 1097854416 /nfs/dbraw/zinc/85/44/16/1097854416.db2.gz RMFCGWPFZOTAIW-UHFFFAOYSA-N -1 0 337.173 2.996 20 30 EFEDRM N#CCOc1ccc(CC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001608188443 1097854684 /nfs/dbraw/zinc/85/46/84/1097854684.db2.gz FPWPOFWCCFIBKC-MRXNPFEDSA-N -1 0 344.411 2.529 20 30 EFEDRM N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001608188399 1097854945 /nfs/dbraw/zinc/85/49/45/1097854945.db2.gz NLNLULNKMOEWTK-QMCVQRASSA-N -1 0 341.411 2.579 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001608188885 1097854967 /nfs/dbraw/zinc/85/49/67/1097854967.db2.gz YIZSPXBZKQLEAL-UHFFFAOYSA-N -1 0 340.404 2.859 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001608188546 1097855049 /nfs/dbraw/zinc/85/50/49/1097855049.db2.gz QAKJXDWEKRZXLN-VQIMIIECSA-N -1 0 341.411 2.539 20 30 EFEDRM N#CCOc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC001608188972 1097855156 /nfs/dbraw/zinc/85/51/56/1097855156.db2.gz SLCQCMMGNPNMTB-CQSZACIVSA-N -1 0 344.392 2.525 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001608188294 1097855204 /nfs/dbraw/zinc/85/52/04/1097855204.db2.gz CUDZYNYHYUMHLW-UHFFFAOYSA-N -1 0 349.346 2.950 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1 ZINC001608189047 1097855220 /nfs/dbraw/zinc/85/52/20/1097855220.db2.gz YACXUXJYQIUGOA-UHFFFAOYSA-N -1 0 345.742 2.517 20 30 EFEDRM N#CCOc1cc(F)ccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC001608188837 1097855252 /nfs/dbraw/zinc/85/52/52/1097855252.db2.gz OMFFCNKHDRCUKA-UHFFFAOYSA-N -1 0 330.315 2.804 20 30 EFEDRM N#CCOc1ccc(CC(=O)OC[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001608188450 1097855281 /nfs/dbraw/zinc/85/52/81/1097855281.db2.gz FTXKJPAXSJUEFP-GOEBONIOSA-N -1 0 331.368 2.566 20 30 EFEDRM N#CCSc1ccccc1C(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001608188672 1097855333 /nfs/dbraw/zinc/85/53/33/1097855333.db2.gz QZBICWAKWLZDLT-OXHZDVMGSA-N -1 0 331.393 2.958 20 30 EFEDRM N#CCOc1ccc(CC(=O)OC[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001608188453 1097855473 /nfs/dbraw/zinc/85/54/73/1097855473.db2.gz FTXKJPAXSJUEFP-HOCLYGCPSA-N -1 0 331.368 2.566 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1F ZINC001608192036 1097856156 /nfs/dbraw/zinc/85/61/56/1097856156.db2.gz HAQLQWVDCHTXAB-WQGACYEGSA-N -1 0 348.349 2.942 20 30 EFEDRM N#Cc1c(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cccc1C(=O)[O-] ZINC001608191071 1097856467 /nfs/dbraw/zinc/85/64/67/1097856467.db2.gz OGVGEXXSWCTDFF-ONXXMXGDSA-N -1 0 341.363 2.695 20 30 EFEDRM N#Cc1c(CN2CCOc3c(F)c(F)ccc32)cccc1C(=O)[O-] ZINC001608191044 1097856491 /nfs/dbraw/zinc/85/64/91/1097856491.db2.gz NTWKJFTXAVIEKY-UHFFFAOYSA-N -1 0 330.290 2.934 20 30 EFEDRM N#Cc1c(C[N@@H+]2CCCN(c3ccccc3)CC2)cccc1C(=O)[O-] ZINC001608191392 1097856521 /nfs/dbraw/zinc/85/65/21/1097856521.db2.gz KURCXAGICLZITR-UHFFFAOYSA-N -1 0 335.407 2.969 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001608189657 1097856588 /nfs/dbraw/zinc/85/65/88/1097856588.db2.gz FMHLGDMBHXSWAM-CQSZACIVSA-N -1 0 342.330 2.624 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001608189501 1097856765 /nfs/dbraw/zinc/85/67/65/1097856765.db2.gz WMAKDHGAUFVIJR-UHFFFAOYSA-N -1 0 334.375 2.973 20 30 EFEDRM N#Cc1c(F)cccc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001608194560 1097857208 /nfs/dbraw/zinc/85/72/08/1097857208.db2.gz RNHSWJVZMMARBH-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1c(-c2ccccc2)nnn1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001608192234 1097857219 /nfs/dbraw/zinc/85/72/19/1097857219.db2.gz XVHTZIJQXJOQRA-UHFFFAOYSA-N -1 0 344.374 2.981 20 30 EFEDRM N#Cc1c(F)cccc1S[C@H](CNC(=O)c1ccccc1)C(=O)[O-] ZINC001608194771 1097857503 /nfs/dbraw/zinc/85/75/03/1097857503.db2.gz WPNUTTBJYDEHJF-OAHLLOKOSA-N -1 0 344.367 2.673 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)ccn1 ZINC001608193166 1097857735 /nfs/dbraw/zinc/85/77/35/1097857735.db2.gz ABMHXZBSHIGVLU-UHFFFAOYSA-N -1 0 349.390 2.746 20 30 EFEDRM N#Cc1cc(Br)ccc1COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001608195252 1097857913 /nfs/dbraw/zinc/85/79/13/1097857913.db2.gz KCQYKAVTYVHYOX-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1F ZINC001608192219 1097857933 /nfs/dbraw/zinc/85/79/33/1097857933.db2.gz LEKPJUFIYDSILD-UHFFFAOYSA-N -1 0 328.274 2.738 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])ccc12 ZINC001608195684 1097858308 /nfs/dbraw/zinc/85/83/08/1097858308.db2.gz VUQNZLIMJSGFMZ-GOSISDBHSA-N -1 0 345.358 2.691 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001608196608 1097858356 /nfs/dbraw/zinc/85/83/56/1097858356.db2.gz CKIDMKAVQJMATB-UHFFFAOYSA-N -1 0 325.299 2.943 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CCc2cc(Cl)ccc2Cl)c1=O ZINC001608196214 1097858486 /nfs/dbraw/zinc/85/84/86/1097858486.db2.gz QYYXKKVVAOBOCX-UHFFFAOYSA-N -1 0 337.162 2.968 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N(CCC(F)(F)F)CC(=O)[O-])n1 ZINC001608195786 1097858666 /nfs/dbraw/zinc/85/86/66/1097858666.db2.gz GTVNXCUADKJAFN-UHFFFAOYSA-N -1 0 341.211 2.815 20 30 EFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC001608197431 1097858693 /nfs/dbraw/zinc/85/86/93/1097858693.db2.gz YZFQSRSEUPQHKD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccnc(C(=O)[O-])c2)ccc1Br ZINC001608197547 1097858783 /nfs/dbraw/zinc/85/87/83/1097858783.db2.gz FXEKMXAKOJSZIX-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001608197867 1097858853 /nfs/dbraw/zinc/85/88/53/1097858853.db2.gz FRUZBHVQJXBWJX-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])c(NCCc2ccccc2C(=O)[O-])cc1F ZINC001608198633 1097858946 /nfs/dbraw/zinc/85/89/46/1097858946.db2.gz RIUPQRJCJHBUDR-UHFFFAOYSA-N -1 0 329.287 2.958 20 30 EFEDRM N#Cc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c(F)c1 ZINC001608198927 1097860040 /nfs/dbraw/zinc/86/00/40/1097860040.db2.gz KIPNEKBZDZKRCZ-UHFFFAOYSA-N -1 0 331.328 2.661 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cn1 ZINC001608198996 1097860137 /nfs/dbraw/zinc/86/01/37/1097860137.db2.gz NPUKCWQUCFOCAS-CYBMUJFWSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1cc2cccnc2nc1N(CCC(=O)[O-])Cc1ccccc1 ZINC001608198636 1097860162 /nfs/dbraw/zinc/86/01/62/1097860162.db2.gz RMHOMIDXDZVGLG-UHFFFAOYSA-N -1 0 332.363 2.983 20 30 EFEDRM N#Cc1ccc([C@@H](NCc2ccc(Br)o2)C(=O)[O-])cc1 ZINC001608202275 1097860896 /nfs/dbraw/zinc/86/08/96/1097860896.db2.gz NVSOTZVBZXQAPR-CYBMUJFWSA-N -1 0 335.157 2.829 20 30 EFEDRM N#Cc1ccc([C@H](NCc2ccc(Br)o2)C(=O)[O-])cc1 ZINC001608202294 1097861132 /nfs/dbraw/zinc/86/11/32/1097861132.db2.gz NVSOTZVBZXQAPR-ZDUSSCGKSA-N -1 0 335.157 2.829 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC001608204526 1097861779 /nfs/dbraw/zinc/86/17/79/1097861779.db2.gz DIEFIFGSYPZNKC-OAHLLOKOSA-N -1 0 341.392 2.513 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)Cc3ccc(C(=O)[O-])nc3)CC2)cc1 ZINC001608204042 1097862133 /nfs/dbraw/zinc/86/21/33/1097862133.db2.gz PTWGYOLPNLBGGD-UHFFFAOYSA-N -1 0 347.374 2.510 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NCCSCCC(=O)[O-])CCCC2)cc1 ZINC001608203896 1097862223 /nfs/dbraw/zinc/86/22/23/1097862223.db2.gz XRIJVALBCPCPPW-UHFFFAOYSA-N -1 0 346.452 2.694 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCc4cccc(C(=O)[O-])c4C3)CC2)cc1 ZINC001608203584 1097862313 /nfs/dbraw/zinc/86/23/13/1097862313.db2.gz QHECEVQPUMWFTA-UHFFFAOYSA-N -1 0 346.386 2.873 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001608204702 1097862368 /nfs/dbraw/zinc/86/23/68/1097862368.db2.gz JCSHTNSCSGUSIF-UHFFFAOYSA-N -1 0 335.363 2.524 20 30 EFEDRM N#Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001608204985 1097862669 /nfs/dbraw/zinc/86/26/69/1097862669.db2.gz SZRRDQFAVJXDHX-HZPDHXFCSA-N -1 0 326.396 2.940 20 30 EFEDRM N#Cc1ccc(COC(=O)C23CCC(C(=O)[O-])(CC2)C3)c([N+](=O)[O-])c1 ZINC001608207387 1097862724 /nfs/dbraw/zinc/86/27/24/1097862724.db2.gz HMNHXTAONITZKB-UHFFFAOYSA-N -1 0 344.323 2.545 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2CCOc3c(C(=O)[O-])cccc32)c1 ZINC001608205935 1097862832 /nfs/dbraw/zinc/86/28/32/1097862832.db2.gz NLCNKSBICFFMFC-UHFFFAOYSA-N -1 0 342.738 2.949 20 30 EFEDRM N#Cc1ccc(CSc2nc(C(=O)[O-])c[nH]2)c(OC(F)F)c1 ZINC001608205738 1097863286 /nfs/dbraw/zinc/86/32/86/1097863286.db2.gz LZYUAMSKZSAEQK-UHFFFAOYSA-N -1 0 325.296 2.873 20 30 EFEDRM N#Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC001608206597 1097863314 /nfs/dbraw/zinc/86/33/14/1097863314.db2.gz WMPDBUGHJRNTHV-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1Cl ZINC001608207940 1097863916 /nfs/dbraw/zinc/86/39/16/1097863916.db2.gz WLNVVCDUOQPFIG-XQRVVYSFSA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(OCCn2cc(C3CCC(C(=O)[O-])CC3)nn2)cc1 ZINC001608210308 1097863965 /nfs/dbraw/zinc/86/39/65/1097863965.db2.gz LHSYQWYZPSKZRL-UHFFFAOYSA-N -1 0 340.383 2.587 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC001608207939 1097864401 /nfs/dbraw/zinc/86/44/01/1097864401.db2.gz WLNVVCDUOQPFIG-GQCTYLIASA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])nc2)cc1Cl ZINC001608207850 1097864419 /nfs/dbraw/zinc/86/44/19/1097864419.db2.gz UJEBUSNHWPFWDV-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM N#Cc1cccc([C@H](NCc2ncc(-c3ccccc3)cn2)C(=O)[O-])c1 ZINC001608214513 1097864861 /nfs/dbraw/zinc/86/48/61/1097864861.db2.gz BRWBQTNVEDKZJW-IBGZPJMESA-N -1 0 344.374 2.931 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608214103 1097865165 /nfs/dbraw/zinc/86/51/65/1097865165.db2.gz DPGWEVIQWLGUGL-GOSISDBHSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001608213154 1097865225 /nfs/dbraw/zinc/86/52/25/1097865225.db2.gz IYGLRVPFTDZFEJ-AWEZNQCLSA-N -1 0 341.392 2.805 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)c(F)cc2N)C(=O)[O-])c1 ZINC001608216062 1097866358 /nfs/dbraw/zinc/86/63/58/1097866358.db2.gz DCFTVQODXVHERD-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC001608215496 1097866437 /nfs/dbraw/zinc/86/64/37/1097866437.db2.gz TYMHPEJVBNPVOL-UHFFFAOYSA-N -1 0 338.348 2.960 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001608215407 1097866513 /nfs/dbraw/zinc/86/65/13/1097866513.db2.gz QRDZDSDAPVLZRI-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001608219031 1097868088 /nfs/dbraw/zinc/86/80/88/1097868088.db2.gz GSPGAHJUSBYESV-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1ccncc1C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001608220528 1097868171 /nfs/dbraw/zinc/86/81/71/1097868171.db2.gz BUBLTDJJKWQLGZ-UHFFFAOYSA-N -1 0 346.726 2.541 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001608220606 1097868376 /nfs/dbraw/zinc/86/83/76/1097868376.db2.gz FTLPLZFXKNUDDX-ZJVMWOEPSA-N -1 0 346.386 2.826 20 30 EFEDRM N#Cc1ccnc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001608220729 1097868433 /nfs/dbraw/zinc/86/84/33/1097868433.db2.gz KWAOTKMVFACJSF-OAHLLOKOSA-N -1 0 335.363 2.501 20 30 EFEDRM N#Cc1ccccc1N1CCC(Nc2ncc(C(=O)[O-])s2)CC1 ZINC001608220133 1097868526 /nfs/dbraw/zinc/86/85/26/1097868526.db2.gz OLQWQXMVUZOKOP-UHFFFAOYSA-N -1 0 328.397 2.794 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC001608218715 1097868554 /nfs/dbraw/zinc/86/85/54/1097868554.db2.gz WFBYPYQQBMRIFP-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccccc1OCc1cn([C@@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001608219151 1097868566 /nfs/dbraw/zinc/86/85/66/1097868566.db2.gz MIYWIJPORFZSGC-SWLSCSKDSA-N -1 0 326.356 2.545 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001608218431 1097868730 /nfs/dbraw/zinc/86/87/30/1097868730.db2.gz OSHQHFFFKMHYEI-UHFFFAOYSA-N -1 0 329.352 2.515 20 30 EFEDRM N#Cc1cccc(OCc2ccoc2C(=O)OCCCC(=O)[O-])c1 ZINC001608218658 1097868778 /nfs/dbraw/zinc/86/87/78/1097868778.db2.gz UWDVTZQAJXRSPZ-UHFFFAOYSA-N -1 0 329.308 2.752 20 30 EFEDRM N#Cc1ccccc1OCCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC001608219497 1097868787 /nfs/dbraw/zinc/86/87/87/1097868787.db2.gz ZDUCBRQFOMLJBV-UHFFFAOYSA-N -1 0 349.346 2.900 20 30 EFEDRM N#Cc1cnc(N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)cn1 ZINC001608223270 1097869156 /nfs/dbraw/zinc/86/91/56/1097869156.db2.gz XRPAXYCHPKNKQU-UHFFFAOYSA-N -1 0 347.378 2.912 20 30 EFEDRM N#Cc1cnc(N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(F)c1 ZINC001608222331 1097869188 /nfs/dbraw/zinc/86/91/88/1097869188.db2.gz AGOYDCHOPZGMCS-UHFFFAOYSA-N -1 0 335.285 2.852 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c(Cl)c1 ZINC001608223238 1097869250 /nfs/dbraw/zinc/86/92/50/1097869250.db2.gz RYOHMLBFJCFHJQ-UHFFFAOYSA-N -1 0 348.771 2.891 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC001608222407 1097869289 /nfs/dbraw/zinc/86/92/89/1097869289.db2.gz CQEWYETXABWCBO-ZDUSSCGKSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1cccn(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)c1=O ZINC001608221459 1097869371 /nfs/dbraw/zinc/86/93/71/1097869371.db2.gz HROFGTLQADPEBI-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1ccsc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001608222621 1097869771 /nfs/dbraw/zinc/86/97/71/1097869771.db2.gz FXLCVZUYBNJXIL-UHFFFAOYSA-N -1 0 338.348 2.756 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1COc1cnc(Cl)cc1C(=O)[O-] ZINC001608220977 1097869886 /nfs/dbraw/zinc/86/98/86/1097869886.db2.gz NTOQHCTUYBGDNT-UHFFFAOYSA-N -1 0 333.687 2.792 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001608223049 1097869999 /nfs/dbraw/zinc/86/99/99/1097869999.db2.gz PTDQGRYJQZDRNX-NMIRZEMHSA-N -1 0 347.296 2.611 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC001608224082 1097870312 /nfs/dbraw/zinc/87/03/12/1097870312.db2.gz KGGIFGMUIYPRQC-JOCQHMNTSA-N -1 0 337.383 2.882 20 30 EFEDRM N#Cc1nc(F)ccc1Oc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001608224079 1097870349 /nfs/dbraw/zinc/87/03/49/1097870349.db2.gz KFCZVVZXSYVELZ-KXFIGUGUSA-N -1 0 329.243 2.891 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC([C@H](O)c2ccccc2)CC1 ZINC001608224430 1097870760 /nfs/dbraw/zinc/87/07/60/1097870760.db2.gz XAFZKIDSXLYKHH-GOSISDBHSA-N -1 0 337.379 2.601 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001608225512 1097870796 /nfs/dbraw/zinc/87/07/96/1097870796.db2.gz ZUGXSJFMFOHIQZ-UHFFFAOYSA-N -1 0 349.350 2.572 20 30 EFEDRM N#Cc1nc(F)ccc1Oc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001608224185 1097870903 /nfs/dbraw/zinc/87/09/03/1097870903.db2.gz MKUMBSDVMIKHHL-UHFFFAOYSA-N -1 0 327.193 2.997 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001608223859 1097870998 /nfs/dbraw/zinc/87/09/98/1097870998.db2.gz FZUYSRHUORBJFH-AWEZNQCLSA-N -1 0 335.722 2.589 20 30 EFEDRM N#Cc1nc(F)ccc1Oc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001608224080 1097871037 /nfs/dbraw/zinc/87/10/37/1097871037.db2.gz KFCZVVZXSYVELZ-QHHAFSJGSA-N -1 0 329.243 2.891 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Sc1nnc(-c2cccs2)o1 ZINC001608224289 1097871069 /nfs/dbraw/zinc/87/10/69/1097871069.db2.gz PBEAORXJZYPGDM-UHFFFAOYSA-N -1 0 330.350 2.914 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)C2 ZINC001608283646 1097881053 /nfs/dbraw/zinc/88/10/53/1097881053.db2.gz FOVAOSPCFWEGFL-FPYGCLRLSA-N -1 0 339.322 2.649 20 30 EFEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)n1 ZINC001608287950 1097883227 /nfs/dbraw/zinc/88/32/27/1097883227.db2.gz PMIXKNOJDLATRF-FPLPWBNLSA-N -1 0 338.319 2.633 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)CSC[C@@H]2CCCCO2)c1 ZINC001608355181 1097900908 /nfs/dbraw/zinc/90/09/08/1097900908.db2.gz LEKOVBOVMBNYJO-INIZCTEOSA-N -1 0 348.420 2.582 20 30 EFEDRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC001608415987 1097915693 /nfs/dbraw/zinc/91/56/93/1097915693.db2.gz TYMYRKKWACUZLK-IXDOHACOSA-N -1 0 342.395 2.569 20 30 EFEDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001608460097 1097925759 /nfs/dbraw/zinc/92/57/59/1097925759.db2.gz SPFUJVHPMOCNAT-SJLPKXTDSA-N -1 0 334.375 2.929 20 30 EFEDRM O=C([O-])CCCOc1ccc(NC(=O)C#Cc2cccs2)cc1 ZINC001608717228 1097999313 /nfs/dbraw/zinc/99/93/13/1097999313.db2.gz GTMGUOQPBFOAOX-UHFFFAOYSA-N -1 0 329.377 2.982 20 30 EFEDRM O=C([O-])Cc1ccc(NN=C2CCN(Cc3ccccc3)C2=O)cc1 ZINC001608780513 1098020453 /nfs/dbraw/zinc/02/04/53/1098020453.db2.gz NKCUINWVDQBJRS-UHFFFAOYSA-N -1 0 337.379 2.514 20 30 EFEDRM O=C([O-])c1c(F)cccc1[N-][NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC001608828648 1098035507 /nfs/dbraw/zinc/03/55/07/1098035507.db2.gz PXNKZERUGSPCON-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC001608879751 1098055958 /nfs/dbraw/zinc/05/59/58/1098055958.db2.gz VYHYCLCIMMQFBQ-UHFFFAOYSA-N -1 0 330.296 2.723 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(C=NN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC001608892411 1098061760 /nfs/dbraw/zinc/06/17/60/1098061760.db2.gz OKPQFGBJMFVJRR-UHFFFAOYSA-N -1 0 349.774 2.627 20 30 EFEDRM O=C([O-])c1cnc(N(C(=O)CC#Cc2ccccc2)C2CC2)s1 ZINC001608973768 1098094001 /nfs/dbraw/zinc/09/40/01/1098094001.db2.gz HHGOLNDAZSVYDV-UHFFFAOYSA-N -1 0 326.377 2.779 20 30 EFEDRM O=C([O-])c1coc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC001608987335 1098099712 /nfs/dbraw/zinc/09/97/12/1098099712.db2.gz NCQNCXOHRTXSOZ-IWQZZHSRSA-N -1 0 327.214 2.993 20 30 EFEDRM O=C([O-])c1coc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC001608987334 1098100123 /nfs/dbraw/zinc/10/01/23/1098100123.db2.gz NCQNCXOHRTXSOZ-HNQUOIGGSA-N -1 0 327.214 2.993 20 30 EFEDRM C#C[C@@H](CC)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001609054975 1098123101 /nfs/dbraw/zinc/12/31/01/1098123101.db2.gz TYJKAXNOJGUKTI-ZDUSSCGKSA-N -1 0 343.408 2.719 20 30 EFEDRM C#C[C@@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC001609057888 1098124141 /nfs/dbraw/zinc/12/41/41/1098124141.db2.gz IQSFAGSYDYFDEF-SJLPKXTDSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057709 1098124253 /nfs/dbraw/zinc/12/42/53/1098124253.db2.gz DFILNUCDECLBML-SJORKVTESA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001609057867 1098124414 /nfs/dbraw/zinc/12/44/14/1098124414.db2.gz IGEHNZLPWFASLK-IAGOWNOFSA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@@H](N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001609057707 1098124434 /nfs/dbraw/zinc/12/44/34/1098124434.db2.gz DFILNUCDECLBML-IAGOWNOFSA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001609058131 1098124998 /nfs/dbraw/zinc/12/49/98/1098124998.db2.gz QADHRMISNOOTRR-CQSZACIVSA-N -1 0 343.770 2.858 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001609076499 1098134352 /nfs/dbraw/zinc/13/43/52/1098134352.db2.gz OEHVTWFGIJCVSA-CQSZACIVSA-N -1 0 337.297 2.767 20 30 EFEDRM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c(C#N)s1 ZINC001609080504 1098134404 /nfs/dbraw/zinc/13/44/04/1098134404.db2.gz IMWZYJBHGNQRDW-UHFFFAOYSA-N -1 0 342.384 2.943 20 30 EFEDRM C#CCC1(C(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001609105032 1098146943 /nfs/dbraw/zinc/14/69/43/1098146943.db2.gz FNKIRXQAGVZZKU-UHFFFAOYSA-N -1 0 343.379 2.840 20 30 EFEDRM C#CCCCCCC(=O)O[C@@H]1CCCC[C@H]1n1cc(C(=O)[O-])nn1 ZINC001609106580 1098148765 /nfs/dbraw/zinc/14/87/65/1098148765.db2.gz AARPXPKBXFCVAI-HUUCEWRRSA-N -1 0 333.388 2.587 20 30 EFEDRM C#CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001609152755 1098171762 /nfs/dbraw/zinc/17/17/62/1098171762.db2.gz FMKJBYWEIOGNEH-IBGZPJMESA-N -1 0 348.402 2.946 20 30 EFEDRM C#CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001609159026 1098173885 /nfs/dbraw/zinc/17/38/85/1098173885.db2.gz RWULAYYOWPWOSN-UHFFFAOYSA-N -1 0 337.375 2.807 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC001609183783 1098186061 /nfs/dbraw/zinc/18/60/61/1098186061.db2.gz UBSKRGCAJQNQEB-AWEZNQCLSA-N -1 0 348.280 2.795 20 30 EFEDRM CC[C@H](C)[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)OC ZINC001609185518 1098187074 /nfs/dbraw/zinc/18/70/74/1098187074.db2.gz JCHTZZJDNIYUQI-VHSXEESVSA-N -1 0 335.412 2.611 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC001609189830 1098190081 /nfs/dbraw/zinc/19/00/81/1098190081.db2.gz FATZVLLUSHFBDG-UHFFFAOYSA-N -1 0 335.363 2.614 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001609257938 1098228725 /nfs/dbraw/zinc/22/87/25/1098228725.db2.gz UFSDJNSOCVOXBA-UHFFFAOYSA-N -1 0 326.400 2.678 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001609267587 1098232313 /nfs/dbraw/zinc/23/23/13/1098232313.db2.gz YZUKWKDZAJBUHN-DNVCBOLYSA-N -1 0 333.428 2.943 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001609267588 1098232475 /nfs/dbraw/zinc/23/24/75/1098232475.db2.gz YZUKWKDZAJBUHN-HNAYVOBHSA-N -1 0 333.428 2.943 20 30 EFEDRM C=C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)[O-] ZINC001609287316 1098239040 /nfs/dbraw/zinc/23/90/40/1098239040.db2.gz LIGYSEIRCXGNGR-VIFPVBQESA-N -1 0 336.438 2.605 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)[O-] ZINC001609287181 1098239057 /nfs/dbraw/zinc/23/90/57/1098239057.db2.gz HSQOCSQPFWVOAW-CYBMUJFWSA-N -1 0 342.380 2.713 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccco1)C(=O)[O-] ZINC001609287670 1098239176 /nfs/dbraw/zinc/23/91/76/1098239176.db2.gz YWSNZITVGQCIGJ-GFCCVEGCSA-N -1 0 331.353 2.911 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609290293 1098239686 /nfs/dbraw/zinc/23/96/86/1098239686.db2.gz AKAANSPOCWBGTN-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609320492 1098246334 /nfs/dbraw/zinc/24/63/34/1098246334.db2.gz OCLCFVXTTMRRIX-JKSUJKDBSA-N -1 0 348.468 2.633 20 30 EFEDRM C=CCC[C@H](c1ccccc1)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001609324635 1098247922 /nfs/dbraw/zinc/24/79/22/1098247922.db2.gz HXQHHDCKWSKOFZ-BZUAXINKSA-N -1 0 342.395 2.821 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001609356706 1098264364 /nfs/dbraw/zinc/26/43/64/1098264364.db2.gz CXOXFQYDXGVAPN-UHFFFAOYSA-N -1 0 342.399 2.919 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609371443 1098271262 /nfs/dbraw/zinc/27/12/62/1098271262.db2.gz CNDLZLWQTHNXRG-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc(C)c1O ZINC001609399627 1098289752 /nfs/dbraw/zinc/28/97/52/1098289752.db2.gz ILCGTFAGNKSRHY-UHFFFAOYSA-N -1 0 341.375 2.747 20 30 EFEDRM C=CCNC(=S)NN=C(C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001609407115 1098295856 /nfs/dbraw/zinc/29/58/56/1098295856.db2.gz IZQCGBJTSWLLTQ-UHFFFAOYSA-N -1 0 348.453 2.677 20 30 EFEDRM Cc1ccc(C)c(NN=C2CCCc3c2c[nH]c(=O)c3-c2nnn[n-]2)c1 ZINC001609421697 1098307961 /nfs/dbraw/zinc/30/79/61/1098307961.db2.gz VDJOECTYGLWPSK-UHFFFAOYSA-N -1 0 349.398 2.737 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001609432088 1098317447 /nfs/dbraw/zinc/31/74/47/1098317447.db2.gz DAGQCVJFLZAENT-KRWDZBQOSA-N -1 0 339.391 2.591 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001609442962 1098325835 /nfs/dbraw/zinc/32/58/35/1098325835.db2.gz MJKMBVKKISCNTP-SFHVURJKSA-N -1 0 337.375 2.643 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001609442958 1098326003 /nfs/dbraw/zinc/32/60/03/1098326003.db2.gz MJGQYGHGCMPKOB-CQSZACIVSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccsc1-n1c(C)ccc1C)C(=O)[O-] ZINC001609443160 1098327058 /nfs/dbraw/zinc/32/70/58/1098327058.db2.gz SWPJGYVRPQKRPA-CQSZACIVSA-N -1 0 348.424 2.541 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)C(=O)[O-])nnc1-c1ccccc1C ZINC001609485193 1098351242 /nfs/dbraw/zinc/35/12/42/1098351242.db2.gz GDZOVGCQHOSVCV-NSHDSACASA-N -1 0 331.397 2.574 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC001609485034 1098352410 /nfs/dbraw/zinc/35/24/10/1098352410.db2.gz CDDJGYUEIZJDAS-NSHDSACASA-N -1 0 331.397 2.574 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC001609567791 1098383188 /nfs/dbraw/zinc/38/31/88/1098383188.db2.gz IODMXZDPVQTPNV-AWEZNQCLSA-N -1 0 348.786 2.744 20 30 EFEDRM CC(=O)Nc1ccc(OCc2cccc(C(=O)[O-])c2C#N)c(F)c1 ZINC001609624857 1098407877 /nfs/dbraw/zinc/40/78/77/1098407877.db2.gz WYUQURRQABDHJH-UHFFFAOYSA-N -1 0 328.299 2.933 20 30 EFEDRM C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001609631568 1098410033 /nfs/dbraw/zinc/41/00/33/1098410033.db2.gz IAZCQRPTSXAEBL-QWRGUYRKSA-N -1 0 331.397 2.983 20 30 EFEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC001609643084 1098413843 /nfs/dbraw/zinc/41/38/43/1098413843.db2.gz JEGVCKJNCISORX-CYBMUJFWSA-N -1 0 338.363 2.958 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001609647569 1098415282 /nfs/dbraw/zinc/41/52/82/1098415282.db2.gz WLHGXEALXZCNFH-OAHLLOKOSA-N -1 0 326.396 2.815 20 30 EFEDRM CC(C)(C)[C@@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001609653716 1098416803 /nfs/dbraw/zinc/41/68/03/1098416803.db2.gz OCPIYCXAIGHBLX-GOSISDBHSA-N -1 0 327.384 2.784 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1(C#N)CCC1 ZINC001609713334 1098434763 /nfs/dbraw/zinc/43/47/63/1098434763.db2.gz ILWXZKSXQBQVMC-UHFFFAOYSA-N -1 0 331.372 2.987 20 30 EFEDRM CC(C)c1nc(NC(=O)CNc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001609721751 1098437208 /nfs/dbraw/zinc/43/72/08/1098437208.db2.gz LBCOPCJMDGAGTN-UHFFFAOYSA-N -1 0 344.396 2.887 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1ccncc1 ZINC001609728008 1098439555 /nfs/dbraw/zinc/43/95/55/1098439555.db2.gz CBBFEJNCMJHULV-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)c(C#N)c1)c1ccncc1 ZINC001609728662 1098440373 /nfs/dbraw/zinc/44/03/73/1098440373.db2.gz KWYQAKZESNFJKZ-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccncc1 ZINC001609728660 1098440440 /nfs/dbraw/zinc/44/04/40/1098440440.db2.gz KVZFSMBAOINFKO-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001609732722 1098441147 /nfs/dbraw/zinc/44/11/47/1098441147.db2.gz KBDOMLMENJUKCK-BXKDBHETSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)Sc1ccccc1 ZINC001609745367 1098444463 /nfs/dbraw/zinc/44/44/63/1098444463.db2.gz SKGMGALQWJKLCT-ZDUSSCGKSA-N -1 0 347.440 2.567 20 30 EFEDRM C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ncc(C(=O)[O-])s1 ZINC001609766520 1098450683 /nfs/dbraw/zinc/45/06/83/1098450683.db2.gz YOWSBMQKBTWMMN-WHXUTIOJSA-N -1 0 336.417 2.531 20 30 EFEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc([S@](C)=O)cc1 ZINC001609779697 1098455191 /nfs/dbraw/zinc/45/51/91/1098455191.db2.gz CUDIVZHETBCFCO-MCFWBGNESA-N -1 0 342.420 2.845 20 30 EFEDRM C[C@@H](Nc1ccc(CC#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001609787200 1098457808 /nfs/dbraw/zinc/45/78/08/1098457808.db2.gz URILEBUVSJMNDU-CYBMUJFWSA-N -1 0 337.379 2.568 20 30 EFEDRM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001609790596 1098458801 /nfs/dbraw/zinc/45/88/01/1098458801.db2.gz IEJUTNGDTHDNQI-RISCZKNCSA-N -1 0 338.319 2.836 20 30 EFEDRM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001609790597 1098458818 /nfs/dbraw/zinc/45/88/18/1098458818.db2.gz IEJUTNGDTHDNQI-SMDDNHRTSA-N -1 0 338.319 2.836 20 30 EFEDRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC001609798847 1098460526 /nfs/dbraw/zinc/46/05/26/1098460526.db2.gz DUKLFKFNGPGTAT-SECBINFHSA-N -1 0 344.348 2.502 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(C#N)c1 ZINC001609801459 1098461659 /nfs/dbraw/zinc/46/16/59/1098461659.db2.gz GMIVTGMJGZWSFY-LBPRGKRZSA-N -1 0 337.335 2.634 20 30 EFEDRM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(C(=O)[O-])o1 ZINC001609804078 1098462973 /nfs/dbraw/zinc/46/29/73/1098462973.db2.gz CAKASBWQXFAAFL-MNOVXSKESA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)OCc1nc(C#N)cs1)C(=O)[O-] ZINC001609806305 1098464152 /nfs/dbraw/zinc/46/41/52/1098464152.db2.gz YZGDVAUDXRBPOM-SECBINFHSA-N -1 0 348.405 2.937 20 30 EFEDRM CC1(C#N)CN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001609812536 1098465586 /nfs/dbraw/zinc/46/55/86/1098465586.db2.gz YQURWFRYLDKOKU-UHFFFAOYSA-N -1 0 342.399 2.752 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001609811923 1098465944 /nfs/dbraw/zinc/46/59/44/1098465944.db2.gz QCPVUUWJASDFRD-KRWDZBQOSA-N -1 0 331.372 2.698 20 30 EFEDRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1ccc(Cl)cc1C#N ZINC001609853956 1098477296 /nfs/dbraw/zinc/47/72/96/1098477296.db2.gz UHBQSUCFJWOFNI-BWAGICSOSA-N -1 0 334.803 2.807 20 30 EFEDRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC#N)CC(=O)[O-] ZINC001609925662 1098496413 /nfs/dbraw/zinc/49/64/13/1098496413.db2.gz WUVZBRXZAOSBOS-LBPRGKRZSA-N -1 0 342.317 2.711 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929267 1098497135 /nfs/dbraw/zinc/49/71/35/1098497135.db2.gz UEWNUBFATMURED-INIZCTEOSA-N -1 0 332.743 2.925 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001609949688 1098503767 /nfs/dbraw/zinc/50/37/67/1098503767.db2.gz CVEXMIANLFBLIG-UHFFFAOYSA-N -1 0 338.429 2.834 20 30 EFEDRM CCCC[C@@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001609966377 1098508686 /nfs/dbraw/zinc/50/86/86/1098508686.db2.gz DBALNWWQDCYPTL-GDBMZVCRSA-N -1 0 332.400 2.721 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001609993479 1098517301 /nfs/dbraw/zinc/51/73/01/1098517301.db2.gz MFQAMYIJRCQCEV-HOCLYGCPSA-N -1 0 348.468 2.732 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC001610003998 1098518936 /nfs/dbraw/zinc/51/89/36/1098518936.db2.gz HKJFWPHCHRZYND-UHFFFAOYSA-N -1 0 344.392 2.780 20 30 EFEDRM CCOc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1OCC(=O)[O-] ZINC001610038887 1098527899 /nfs/dbraw/zinc/52/78/99/1098527899.db2.gz DXKNHLXORSRHKM-SFHVURJKSA-N -1 0 348.399 2.607 20 30 EFEDRM CCOc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1OCC(=O)[O-] ZINC001610038885 1098528111 /nfs/dbraw/zinc/52/81/11/1098528111.db2.gz DXKNHLXORSRHKM-GOSISDBHSA-N -1 0 348.399 2.607 20 30 EFEDRM CCc1cc(N=NCc2cc(C(=O)[O-])co2)nc(-c2ccccn2)n1 ZINC001610059312 1098534004 /nfs/dbraw/zinc/53/40/04/1098534004.db2.gz QUAMMUQCEMTVOI-UHFFFAOYSA-N -1 0 337.339 2.838 20 30 EFEDRM CCc1noc(CC)c1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610077169 1098540880 /nfs/dbraw/zinc/54/08/80/1098540880.db2.gz BOLJYNYDBZCMDO-UHFFFAOYSA-N -1 0 342.351 2.655 20 30 EFEDRM CCc1oc(CN=Nc2c(F)c(F)nc(F)c2F)cc1C(=O)[O-] ZINC001610080687 1098542605 /nfs/dbraw/zinc/54/26/05/1098542605.db2.gz YEBCTKOXGSICAC-UHFFFAOYSA-N -1 0 331.225 2.938 20 30 EFEDRM CN(C(=O)CSc1ncc(C(=O)[O-])s1)C1(C#N)CCCCC1 ZINC001610091833 1098545297 /nfs/dbraw/zinc/54/52/97/1098545297.db2.gz RJQOFXPIAXZURC-UHFFFAOYSA-N -1 0 339.442 2.618 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3ccccc3[S-])CC2)C1=O ZINC001269956418 1098546719 /nfs/dbraw/zinc/54/67/19/1098546719.db2.gz FUSURTUCTATXMZ-UHFFFAOYSA-N -1 0 330.453 2.616 20 30 EFEDRM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([S-])cc1)CC2 ZINC001269964147 1098551189 /nfs/dbraw/zinc/55/11/89/1098551189.db2.gz XAROTWWZJNWBQZ-INIZCTEOSA-N -1 0 344.480 2.910 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc([S-])cc2)C1=O ZINC001269964175 1098551214 /nfs/dbraw/zinc/55/12/14/1098551214.db2.gz XIQYXRZVTGASEI-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001610120616 1098552659 /nfs/dbraw/zinc/55/26/59/1098552659.db2.gz ZHQUPZWGIWMUMD-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)NCC(C)(C)CCC#N ZINC001610123536 1098553498 /nfs/dbraw/zinc/55/34/98/1098553498.db2.gz DEZHKMLZYJVCJR-UHFFFAOYSA-N -1 0 347.415 2.621 20 30 EFEDRM COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001610153857 1098559402 /nfs/dbraw/zinc/55/94/02/1098559402.db2.gz AEESLPHCEIHFRK-CVEARBPZSA-N -1 0 344.411 2.595 20 30 EFEDRM COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001610153858 1098559559 /nfs/dbraw/zinc/55/95/59/1098559559.db2.gz AEESLPHCEIHFRK-HOTGVXAUSA-N -1 0 344.411 2.595 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cccc(Cl)c2[O-])C1=O ZINC001269983432 1098567371 /nfs/dbraw/zinc/56/73/71/1098567371.db2.gz QEKLKGPSYKQLKL-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC001610204086 1098570399 /nfs/dbraw/zinc/57/03/99/1098570399.db2.gz ZZRHKCKSWHBVCP-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001610263083 1098592673 /nfs/dbraw/zinc/59/26/73/1098592673.db2.gz VQOVBOYZSACZJX-VHDGCEQUSA-N -1 0 332.400 2.885 20 30 EFEDRM COCCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001610263081 1098592954 /nfs/dbraw/zinc/59/29/54/1098592954.db2.gz VQOVBOYZSACZJX-NWANDNLSSA-N -1 0 332.400 2.885 20 30 EFEDRM COc1cc(CN(CC(=O)[O-])c2cccc(F)c2C#N)cc(OC)c1 ZINC001610295801 1098607732 /nfs/dbraw/zinc/60/77/32/1098607732.db2.gz GVYDQKFBJJNHIQ-UHFFFAOYSA-N -1 0 344.342 2.806 20 30 EFEDRM COc1cc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1C#N ZINC001610297969 1098608868 /nfs/dbraw/zinc/60/88/68/1098608868.db2.gz UEKWMUMICIGHDC-MRXNPFEDSA-N -1 0 332.306 2.761 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)CCc1ccccc1C(=O)[O-] ZINC001610312176 1098616316 /nfs/dbraw/zinc/61/63/16/1098616316.db2.gz RWHBTNYJFFQFBG-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1ccc(C#N)cc1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610312115 1098616643 /nfs/dbraw/zinc/61/66/43/1098616643.db2.gz OWJNPZWXXPTOJR-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1cccc(/C=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1O ZINC001610355237 1098635695 /nfs/dbraw/zinc/63/56/95/1098635695.db2.gz KTFOGJDXSIZIDP-CTJICSLTSA-N -1 0 338.363 2.997 20 30 EFEDRM COc1nc(N2CC=C(c3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001610368982 1098644259 /nfs/dbraw/zinc/64/42/59/1098644259.db2.gz MEBCLOGPENKZSG-UHFFFAOYSA-N -1 0 335.363 2.954 20 30 EFEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ncc(C#N)cc1Cl ZINC001610388532 1098651382 /nfs/dbraw/zinc/65/13/82/1098651382.db2.gz MJRMVWXIORJXPS-NSHDSACASA-N -1 0 343.770 2.722 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001610394515 1098652878 /nfs/dbraw/zinc/65/28/78/1098652878.db2.gz JIXMYONZTLCZJC-HNNXBMFYSA-N -1 0 325.286 2.523 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001610397963 1098655153 /nfs/dbraw/zinc/65/51/53/1098655153.db2.gz SDTOPKYATRLLOB-GFCCVEGCSA-N -1 0 325.368 2.558 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001610406824 1098661577 /nfs/dbraw/zinc/66/15/77/1098661577.db2.gz FZECTVMMUSDBNB-UHFFFAOYSA-N -1 0 325.320 2.801 20 30 EFEDRM Cc1c(C(=O)[O-])csc1NC(=O)Cc1cccc(OCC#N)c1 ZINC001610410631 1098662673 /nfs/dbraw/zinc/66/26/73/1098662673.db2.gz DGBKYKNZCXASMI-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM Cc1c2cc(C(=O)/C=C\c3ccn(C)n3)cnc2sc1C(=O)[O-] ZINC001610413818 1098663737 /nfs/dbraw/zinc/66/37/37/1098663737.db2.gz SAXQQCBDBWLZMX-ARJAWSKDSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001610432538 1098673692 /nfs/dbraw/zinc/67/36/92/1098673692.db2.gz HQSGYKBKQKOXFN-HNNXBMFYSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001610432900 1098673700 /nfs/dbraw/zinc/67/37/00/1098673700.db2.gz OXXAMTOBWXIYBC-KSSFIOAISA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)nn1CCC#N ZINC001610473218 1098697206 /nfs/dbraw/zinc/69/72/06/1098697206.db2.gz VTEPQDOTQBPCRI-LLVKDONJSA-N -1 0 347.400 2.504 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1C#N ZINC001610476473 1098698821 /nfs/dbraw/zinc/69/88/21/1098698821.db2.gz SAIHMRKPHWLOOU-WTKPLQERSA-N -1 0 343.360 2.732 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC001610476678 1098698930 /nfs/dbraw/zinc/69/89/30/1098698930.db2.gz KOPMWJMVXPTJIA-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM Cc1ccnc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1C#N ZINC001610536672 1098739540 /nfs/dbraw/zinc/73/95/40/1098739540.db2.gz VMIBYPXMXFXYOL-AWEZNQCLSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1nsc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1C#N ZINC001610577800 1098764341 /nfs/dbraw/zinc/76/43/41/1098764341.db2.gz WSPHYFCPNUCUPT-UHFFFAOYSA-N -1 0 334.357 2.587 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)NCC2(C#N)CCC2)nc1C(=O)[O-] ZINC001610592194 1098774223 /nfs/dbraw/zinc/77/42/23/1098774223.db2.gz QMTCFWUJWHMHNH-LLVKDONJSA-N -1 0 348.428 2.690 20 30 EFEDRM Cn1cc([C@H](NCc2cccc(C(=O)[O-])c2C#N)C(C)(C)C)cn1 ZINC001610600901 1098777933 /nfs/dbraw/zinc/77/79/33/1098777933.db2.gz BIABZNKVBQKQLV-INIZCTEOSA-N -1 0 326.400 2.867 20 30 EFEDRM Cn1cc(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)cc1C(=O)[O-] ZINC001610601703 1098779694 /nfs/dbraw/zinc/77/96/94/1098779694.db2.gz SNMQLXLPCZRCRP-WUXMJOGZSA-N -1 0 326.308 2.844 20 30 EFEDRM Cn1cc(C=NN2C(=O)c3cccc4cccc(c43)C2=O)cc1C(=O)[O-] ZINC001610601131 1098780141 /nfs/dbraw/zinc/78/01/41/1098780141.db2.gz GWAKETILLQYOIM-UHFFFAOYSA-N -1 0 347.330 2.507 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610618730 1098785773 /nfs/dbraw/zinc/78/57/73/1098785773.db2.gz IUAFNUGVJPVEFI-IRXDYDNUSA-N -1 0 341.436 2.756 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2(Sc3ccccc3)CC2)CC1 ZINC001610619569 1098785927 /nfs/dbraw/zinc/78/59/27/1098785927.db2.gz XGMFNHQSGJDCJY-UHFFFAOYSA-N -1 0 330.409 2.528 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC001610618543 1098786150 /nfs/dbraw/zinc/78/61/50/1098786150.db2.gz ZWPSVKHZZYZOMW-UHFFFAOYSA-N -1 0 346.774 2.580 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)/C=C\c2nc3ccccc3s2)CC1 ZINC001610618499 1098786225 /nfs/dbraw/zinc/78/62/25/1098786225.db2.gz GCLPUQSZYNTDGN-WAYWQWQTSA-N -1 0 341.392 2.526 20 30 EFEDRM N#CC1CCC(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC001610619899 1098787584 /nfs/dbraw/zinc/78/75/84/1098787584.db2.gz DSZSKSVCAGCFGT-UHFFFAOYSA-N -1 0 341.411 2.782 20 30 EFEDRM N#CC1(CC(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001610620060 1098787594 /nfs/dbraw/zinc/78/75/94/1098787594.db2.gz WNFAUPCDRDQVFG-HOCLYGCPSA-N -1 0 326.396 2.760 20 30 EFEDRM N#CCCCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001610621590 1098788083 /nfs/dbraw/zinc/78/80/83/1098788083.db2.gz MNQRNMFJFSETCG-UHFFFAOYSA-N -1 0 325.162 2.571 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CCC1 ZINC001610619963 1098788115 /nfs/dbraw/zinc/78/81/15/1098788115.db2.gz UPBJHLADBPJHNB-UHFFFAOYSA-N -1 0 345.376 2.940 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1occc1C(=O)[O-] ZINC001610623443 1098788891 /nfs/dbraw/zinc/78/88/91/1098788891.db2.gz PPYSFNFWEBGOMJ-UHFFFAOYSA-N -1 0 335.699 2.891 20 30 EFEDRM N#CCSCC(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001610623531 1098788903 /nfs/dbraw/zinc/78/89/03/1098788903.db2.gz SAWSFBDCPPKHEK-UHFFFAOYSA-N -1 0 348.405 2.808 20 30 EFEDRM N#CCc1ccccc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610624384 1098789462 /nfs/dbraw/zinc/78/94/62/1098789462.db2.gz NNSZHJNYDDQUJB-INIZCTEOSA-N -1 0 327.311 2.744 20 30 EFEDRM N#Cc1c(COC(=O)c2c(O)cccc2Cl)cccc1C(=O)[O-] ZINC001610625358 1098790414 /nfs/dbraw/zinc/79/04/14/1098790414.db2.gz SDCBWUTWBRETEA-UHFFFAOYSA-N -1 0 331.711 2.972 20 30 EFEDRM N#Cc1ccc(-c2nnc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 ZINC001610625991 1098790851 /nfs/dbraw/zinc/79/08/51/1098790851.db2.gz ICTHCZZGNDNRTJ-UHFFFAOYSA-N -1 0 336.263 2.882 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cccc1C(=O)[O-] ZINC001610625014 1098790887 /nfs/dbraw/zinc/79/08/87/1098790887.db2.gz KHUTWBIBDPAIEL-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3c(c2)CCCN3)cccc1C(=O)[O-] ZINC001610625151 1098790979 /nfs/dbraw/zinc/79/09/79/1098790979.db2.gz OEBZQFJXIQVWQA-UHFFFAOYSA-N -1 0 336.347 2.972 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC001610625088 1098791482 /nfs/dbraw/zinc/79/14/82/1098791482.db2.gz MOFRITGMGOSNFH-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1ccc(CNC(=O)COc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001610628153 1098792030 /nfs/dbraw/zinc/79/20/30/1098792030.db2.gz PXUHKEZUKZXXCH-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccc(C(=O)[O-])[nH]2)c(Br)c1 ZINC001610626978 1098792122 /nfs/dbraw/zinc/79/21/22/1098792122.db2.gz FAORBLFCHBBXPW-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001610627471 1098792380 /nfs/dbraw/zinc/79/23/80/1098792380.db2.gz IHVGCONTDWBDQO-OAQYLSRUSA-N -1 0 348.402 2.746 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1Cl ZINC001610626691 1098792399 /nfs/dbraw/zinc/79/23/99/1098792399.db2.gz PZPLWSNJDJWACA-ZDUSSCGKSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC001610626876 1098792461 /nfs/dbraw/zinc/79/24/61/1098792461.db2.gz ZSWUGIRFRWPPHZ-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2ccsc2C(=O)[O-])cc1 ZINC001610627516 1098792646 /nfs/dbraw/zinc/79/26/46/1098792646.db2.gz KJFQBSMOVYSXLM-CQSZACIVSA-N -1 0 340.360 2.744 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001610627443 1098792720 /nfs/dbraw/zinc/79/27/20/1098792720.db2.gz ZPNUGCIQPLNXQB-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3nc(CCC(=O)[O-])cs3)CC2)cc1 ZINC001610627651 1098792999 /nfs/dbraw/zinc/79/29/99/1098792999.db2.gz NJCWKXBHHAXSDC-UHFFFAOYSA-N -1 0 341.392 2.702 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2ccc(C(=O)[O-])cn2)cc1 ZINC001610627315 1098793150 /nfs/dbraw/zinc/79/31/50/1098793150.db2.gz WFZNOBDQLUTOAS-UHFFFAOYSA-N -1 0 342.376 2.628 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610629422 1098794148 /nfs/dbraw/zinc/79/41/48/1098794148.db2.gz UDHAXKRGHIILIB-OAHLLOKOSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001610632701 1098795965 /nfs/dbraw/zinc/79/59/65/1098795965.db2.gz FTLPPCXLJLUVCJ-UHFFFAOYSA-N -1 0 329.352 2.515 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCC(=O)c2cccs2)C(=O)[O-])c1 ZINC001610632309 1098795973 /nfs/dbraw/zinc/79/59/73/1098795973.db2.gz VBPSDRICXJFGQV-MRXNPFEDSA-N -1 0 343.360 2.952 20 30 EFEDRM N#Cc1cnccc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001610633159 1098796830 /nfs/dbraw/zinc/79/68/30/1098796830.db2.gz AQEPHCALZAPSSN-UONOGXRCSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1ccncc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001610633372 1098797145 /nfs/dbraw/zinc/79/71/45/1098797145.db2.gz ILAURIPBQLQVEK-UONOGXRCSA-N -1 0 329.306 2.536 20 30 EFEDRM N#Cc1cnc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c(Cl)c1 ZINC001610633902 1098797455 /nfs/dbraw/zinc/79/74/55/1098797455.db2.gz VLRJDCPUSGUNDN-UHFFFAOYSA-N -1 0 335.791 2.762 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2ccc(F)cc2)c(F)c1 ZINC001610651274 1098803176 /nfs/dbraw/zinc/80/31/76/1098803176.db2.gz NZEOGYMUJCXDLJ-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM O=C([O-])c1cc(CN=Nc2ncc(C(F)(F)F)cc2Cl)on1 ZINC001610810709 1098903427 /nfs/dbraw/zinc/90/34/27/1098903427.db2.gz GGGSHPADKQJZPH-UHFFFAOYSA-N -1 0 334.641 2.886 20 30 EFEDRM O=C([O-])c1ccc(C=NOC2CCOCC2)c(Br)c1 ZINC001610824214 1098914396 /nfs/dbraw/zinc/91/43/96/1098914396.db2.gz MOSPHDFRWDJNIV-UHFFFAOYSA-N -1 0 328.162 2.677 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2cnc(N3CCCC3)nc2)cc1Cl ZINC001610835475 1098923721 /nfs/dbraw/zinc/92/37/21/1098923721.db2.gz JMGUYODBMXVLIR-UHFFFAOYSA-N -1 0 345.790 2.874 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001611459996 1099013812 /nfs/dbraw/zinc/01/38/12/1099013812.db2.gz DXVOXJMPHLZYBN-GFCCVEGCSA-N -1 0 348.362 2.735 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n1 ZINC000780389597 1099544014 /nfs/dbraw/zinc/54/40/14/1099544014.db2.gz QBWFLXPLYBWUKX-UHFFFAOYSA-N -1 0 326.328 2.535 20 30 EFEDRM CC[C@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC(C)C)C1 ZINC001649189553 1099555889 /nfs/dbraw/zinc/55/58/89/1099555889.db2.gz MDKYKCKSRILIRZ-ZDUSSCGKSA-N -1 0 340.431 2.810 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nnn[n-]2)cc1 ZINC001626699300 1099908452 /nfs/dbraw/zinc/90/84/52/1099908452.db2.gz ZTFKNNKQYPXGLG-UHFFFAOYSA-N -1 0 348.366 2.825 20 30 EFEDRM N#CCc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC001627757013 1100031145 /nfs/dbraw/zinc/03/11/45/1100031145.db2.gz BUUMZPWNMUISJL-UHFFFAOYSA-N -1 0 330.347 2.959 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(C3CC3)nc3ccccc32)[n-]c1C#N ZINC001627863321 1100037836 /nfs/dbraw/zinc/03/78/36/1100037836.db2.gz FPTPWXPLUOBLLT-UHFFFAOYSA-N -1 0 328.335 2.831 20 30 EFEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234363 1100077183 /nfs/dbraw/zinc/07/71/83/1100077183.db2.gz GCCQCAXXXGQRIM-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM Cc1noc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000042232589 1100077740 /nfs/dbraw/zinc/07/77/40/1100077740.db2.gz FJPXGYQKJYIBKZ-UHFFFAOYSA-N -1 0 343.364 2.739 20 30 EFEDRM Cc1noc(-c2ccc(C(=O)[N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000042244140 1100078828 /nfs/dbraw/zinc/07/88/28/1100078828.db2.gz BDSJZRBYCAJXBA-UHFFFAOYSA-N -1 0 349.393 2.800 20 30 EFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001629705071 1100237408 /nfs/dbraw/zinc/23/74/08/1100237408.db2.gz JUBTXOVCWCXJEB-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM CC1N=NC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)=C1[O-] ZINC001630233847 1100287218 /nfs/dbraw/zinc/28/72/18/1100287218.db2.gz YZRBUFVERYKVAU-UHFFFAOYSA-N -1 0 335.323 2.735 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001634842495 1100632285 /nfs/dbraw/zinc/63/22/85/1100632285.db2.gz DPUWTELZJRLPHC-UHFFFAOYSA-N -1 0 337.314 2.749 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)[n-]c1C#N ZINC001639319987 1100938735 /nfs/dbraw/zinc/93/87/35/1100938735.db2.gz VWPIQPFVIRMNBA-UHFFFAOYSA-N -1 0 346.325 2.970 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001643199556 1101279084 /nfs/dbraw/zinc/27/90/84/1101279084.db2.gz ZPOQJTSXODUNBB-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785045002 1102063921 /nfs/dbraw/zinc/06/39/21/1102063921.db2.gz JCPSSKJCNCZIPB-UHFFFAOYSA-N -1 0 344.436 2.932 20 30 EFEDRM CC[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000796676408 1102078206 /nfs/dbraw/zinc/07/82/06/1102078206.db2.gz GNSDZJYFIUDXHZ-HOTGVXAUSA-N -1 0 334.441 2.721 20 30 EFEDRM Cn1nccc1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000588425598 1102274815 /nfs/dbraw/zinc/27/48/15/1102274815.db2.gz UWDKLBPUSDWYOU-IHWYPQMZSA-N -1 0 325.137 2.923 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2cc(Br)cc(F)c2[O-])cn1 ZINC000588425547 1102275110 /nfs/dbraw/zinc/27/51/10/1102275110.db2.gz JZRHMSJXZRBICF-IHWYPQMZSA-N -1 0 325.137 2.923 20 30 EFEDRM CC[C@H](NN=C1CCc2c1ccc(F)c2Br)C(=O)[O-] ZINC000834981474 1102383062 /nfs/dbraw/zinc/38/30/62/1102383062.db2.gz QHENMSWKQYJHOX-JTQLQIEISA-N -1 0 329.169 2.691 20 30 EFEDRM CN(N=Cc1ccc([N+](=O)[O-])c([O-])c1)C(=S)NCc1ccccc1 ZINC000748130861 1102645918 /nfs/dbraw/zinc/64/59/18/1102645918.db2.gz DTTBKHWGGCBUNW-UHFFFAOYSA-N -1 0 344.396 2.641 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc2c(c1)NC(=O)CO2 ZINC000748149008 1102854379 /nfs/dbraw/zinc/85/43/79/1102854379.db2.gz XUMBVQLSMAGNAK-GORDUTHDSA-N -1 0 340.291 2.527 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2ccccn2Cc2ccccc2)cc1[O-] ZINC000588554674 1103259698 /nfs/dbraw/zinc/25/96/98/1103259698.db2.gz IGFVLFXGPAMTDL-UHFFFAOYSA-N -1 0 329.359 2.855 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905566597 1103335274 /nfs/dbraw/zinc/33/52/74/1103335274.db2.gz LJNHDPWPXMYWJX-QWHCGFSZSA-N -1 0 342.317 2.844 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1sccc1C#N)C1CCCCC1 ZINC000906067414 1103876905 /nfs/dbraw/zinc/87/69/05/1103876905.db2.gz ADZPBTXOCPACJZ-ZDUSSCGKSA-N -1 0 328.459 2.957 20 30 EFEDRM Cc1c(S(=O)(=O)[N-]c2scc(C(C)(C)C)c2C#N)cnn1C ZINC000906067485 1103877466 /nfs/dbraw/zinc/87/74/66/1103877466.db2.gz SGYDMVWQVITXOQ-UHFFFAOYSA-N -1 0 338.458 2.760 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1sc2c(c1C#N)CCC2)C(C)C ZINC000906072421 1103883393 /nfs/dbraw/zinc/88/33/93/1103883393.db2.gz KEPVYSLBXDMPGN-GFCCVEGCSA-N -1 0 328.459 2.521 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1C#N ZINC000906071869 1103883502 /nfs/dbraw/zinc/88/35/02/1103883502.db2.gz DXABZQXZHHMUSH-UHFFFAOYSA-N -1 0 344.849 2.678 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000906073215 1103902525 /nfs/dbraw/zinc/90/25/25/1103902525.db2.gz OQFFTOVDLPFIDF-UHFFFAOYSA-N -1 0 337.426 2.904 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000906073393 1103902734 /nfs/dbraw/zinc/90/27/34/1103902734.db2.gz BYXADDORPXWWMZ-VHSXEESVSA-N -1 0 328.459 2.694 20 30 EFEDRM CO[C@@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000906073923 1103904287 /nfs/dbraw/zinc/90/42/87/1103904287.db2.gz RTAUJSQAMTXOEW-UWVGGRQHSA-N -1 0 328.459 2.521 20 30 EFEDRM COc1ccc(CCS(=O)(=O)[N-]c2scc(C)c2C#N)cc1 ZINC000906074342 1103904993 /nfs/dbraw/zinc/90/49/93/1103904993.db2.gz TUKAYVHAQUQLJW-UHFFFAOYSA-N -1 0 336.438 2.921 20 30 EFEDRM COCCS(=O)(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000906073404 1103905394 /nfs/dbraw/zinc/90/53/94/1103905394.db2.gz CAQNUUNKQBPOPL-ZJUUUORDSA-N -1 0 328.459 2.694 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1scc(C)c1C#N)C1CCCC1 ZINC000906073567 1103905477 /nfs/dbraw/zinc/90/54/77/1103905477.db2.gz PSCDJNMSDRWPSP-ZDUSSCGKSA-N -1 0 328.459 2.875 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)CCC3CC3)sc2C1 ZINC000906075801 1103906769 /nfs/dbraw/zinc/90/67/69/1103906769.db2.gz OTUQEWWQUCVVOF-LLVKDONJSA-N -1 0 340.470 2.665 20 30 EFEDRM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(F)cc1[O-] ZINC001272268505 1103982262 /nfs/dbraw/zinc/98/22/62/1103982262.db2.gz JQSQFEFXTPFIQZ-IBGZPJMESA-N -1 0 346.402 2.705 20 30 EFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc(F)cc3[O-])CC2)C1=O ZINC001272268916 1104073212 /nfs/dbraw/zinc/07/32/12/1104073212.db2.gz RGRZJMIEPZTYQP-LJQANCHMSA-N -1 0 346.402 2.562 20 30 EFEDRM C=CCC[C@@H](CC)Oc1nc(I)cc(=O)[n-]1 ZINC001228948927 1104226232 /nfs/dbraw/zinc/22/62/32/1104226232.db2.gz DREYJDFDVZOQDK-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960788 1104720964 /nfs/dbraw/zinc/72/09/64/1104720964.db2.gz MQUQBWBAVISOMT-UHFFFAOYSA-N -1 0 338.714 2.568 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2cc(Cl)cc(C(=O)[O-])c2)nc1C#N ZINC001211962914 1104731779 /nfs/dbraw/zinc/73/17/79/1104731779.db2.gz RYXGKIKYYZILLY-UHFFFAOYSA-N -1 0 334.122 2.969 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cn1 ZINC000093242064 1107132168 /nfs/dbraw/zinc/13/21/68/1107132168.db2.gz BDFDIPULSWGSLL-UHFFFAOYSA-N -1 0 334.397 2.791 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(CC)ccc3O)C2)C1=O ZINC001272210178 1107315043 /nfs/dbraw/zinc/31/50/43/1107315043.db2.gz CHRXSTFENHTEKT-FQEVSTJZSA-N -1 0 342.439 2.595 20 30 EFEDRM C=CCOc1c(Cl)cc(CNCC(F)(F)C(=O)[O-])cc1OC ZINC000904031702 1107527209 /nfs/dbraw/zinc/52/72/09/1107527209.db2.gz DQDNIUAYAITMLY-UHFFFAOYSA-N -1 0 335.734 2.723 20 30 EFEDRM O=C(c1cc(F)ccc1N1CCOCC1)N(O)Cc1ccc(F)cc1 ZINC000904173258 1107689520 /nfs/dbraw/zinc/68/95/20/1107689520.db2.gz HYEVFXGNGMFKRR-UHFFFAOYSA-N -1 0 348.349 2.833 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3cccc([S-])c3)CC2)C1=O ZINC001272380551 1108132859 /nfs/dbraw/zinc/13/28/59/1108132859.db2.gz WIGXWWHUCCQFAI-UHFFFAOYSA-N -1 0 330.453 2.616 20 30 EFEDRM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1F ZINC001272388481 1108159826 /nfs/dbraw/zinc/15/98/26/1108159826.db2.gz JZAAAUIDZWHKAQ-IBGZPJMESA-N -1 0 346.402 2.705 20 30 EFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)c1C ZINC000176453480 1108599232 /nfs/dbraw/zinc/59/92/32/1108599232.db2.gz COBOFLRRMCFRNS-UHFFFAOYSA-N -1 0 348.449 2.972 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccncc1 ZINC000780575757 1108654197 /nfs/dbraw/zinc/65/41/97/1108654197.db2.gz FVDOWHMWNPNTNQ-IRXDYDNUSA-N -1 0 339.395 2.694 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C#N)cs1 ZINC000176460485 1108664729 /nfs/dbraw/zinc/66/47/29/1108664729.db2.gz LSYHXUWXRUAFCJ-GFCCVEGCSA-N -1 0 339.376 2.980 20 30 EFEDRM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(F)c1[O-] ZINC001272235381 1109206635 /nfs/dbraw/zinc/20/66/35/1109206635.db2.gz YTXULEGSUCQFHF-LJQANCHMSA-N -1 0 346.402 2.705 20 30 EFEDRM Cc1nn(C)c2sc(/C([O-])=N/S(=O)(=O)c3ccc(C)cc3)cc12 ZINC000042235336 1109359165 /nfs/dbraw/zinc/35/91/65/1109359165.db2.gz KHANVRUHZFTZQN-UHFFFAOYSA-N -1 0 349.437 2.945 20 30 EFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000842306459 1109416738 /nfs/dbraw/zinc/41/67/38/1109416738.db2.gz KODVYITYAFKCGQ-JKSUJKDBSA-N -1 0 334.441 2.544 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138607227 1109429708 /nfs/dbraw/zinc/42/97/08/1109429708.db2.gz JBGUNWWGBIYFTI-AWEZNQCLSA-N -1 0 342.374 2.640 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCSc2ccccc21 ZINC000842322705 1109447227 /nfs/dbraw/zinc/44/72/27/1109447227.db2.gz CEWUUAPHVVCQPJ-CHWSQXEVSA-N -1 0 325.393 2.591 20 30 EFEDRM CC[C@H](Sc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000842323277 1109447248 /nfs/dbraw/zinc/44/72/48/1109447248.db2.gz ILZILFVJAPPMHG-KGLIPLIRSA-N -1 0 327.409 2.883 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCSc2ccccc21 ZINC000842322707 1109447715 /nfs/dbraw/zinc/44/77/15/1109447715.db2.gz CEWUUAPHVVCQPJ-QWHCGFSZSA-N -1 0 325.393 2.591 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(-n2cccc2)cc1 ZINC000042322354 1109627507 /nfs/dbraw/zinc/62/75/07/1109627507.db2.gz VDUBWTWNWMHDGX-UHFFFAOYSA-N -1 0 327.365 2.566 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc(C)c1F ZINC000153193222 1111197487 /nfs/dbraw/zinc/19/74/87/1111197487.db2.gz AZWUNQJHZNEDAO-HNNXBMFYSA-N -1 0 334.391 2.696 20 30 EFEDRM N#Cc1nc(NC(=O)CCC(=O)c2ccc3ccccc3c2)[n-]c1C#N ZINC000914535596 1111244297 /nfs/dbraw/zinc/24/42/97/1111244297.db2.gz VARJYUSZIGKGBS-UHFFFAOYSA-N -1 0 343.346 2.908 20 30 EFEDRM COc1ccnc([N-]N=C2c3ccccc3N(CCC(C)C)C2=O)n1 ZINC000914696077 1111330107 /nfs/dbraw/zinc/33/01/07/1111330107.db2.gz MPROFMBADBONFV-UHFFFAOYSA-N -1 0 339.399 2.694 20 30 EFEDRM COC(=O)COc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000914773514 1111369088 /nfs/dbraw/zinc/36/90/88/1111369088.db2.gz LQEGODYNCZJPRC-UHFFFAOYSA-N -1 0 330.296 2.603 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)s1 ZINC000916872530 1111992597 /nfs/dbraw/zinc/99/25/97/1111992597.db2.gz JTEYTXOSWFXODG-JTQLQIEISA-N -1 0 328.821 2.655 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916878434 1111994497 /nfs/dbraw/zinc/99/44/97/1111994497.db2.gz WMZGKYRAFWFGTC-CYBMUJFWSA-N -1 0 343.339 2.970 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(-c2ccccc2)[nH]n1 ZINC000916893898 1111995909 /nfs/dbraw/zinc/99/59/09/1111995909.db2.gz KHWQFHKQYVNJGT-HNNXBMFYSA-N -1 0 336.395 2.848 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)s1 ZINC000916929664 1112000745 /nfs/dbraw/zinc/00/07/45/1112000745.db2.gz NTNNTSXBRWTPGA-LLVKDONJSA-N -1 0 342.376 2.920 20 30 EFEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069618001 1117951846 /nfs/dbraw/zinc/95/18/46/1117951846.db2.gz LHQNLNHEIOQYAN-PSASIEDQSA-N -1 0 348.218 2.519 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000131049117 1118828202 /nfs/dbraw/zinc/82/82/02/1118828202.db2.gz QUIQOWIQUAOUHZ-AWEZNQCLSA-N -1 0 341.436 2.889 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccnc(Cl)c2)cc1 ZINC000054422898 214236874 /nfs/dbraw/zinc/23/68/74/214236874.db2.gz JJPQIJIDORIHKO-UHFFFAOYSA-N -1 0 340.788 2.827 20 30 EFEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000191841548 529526637 /nfs/dbraw/zinc/52/66/37/529526637.db2.gz ORICJSHGDXZAJE-UHFFFAOYSA-N -1 0 328.397 2.589 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000187525853 529607833 /nfs/dbraw/zinc/60/78/33/529607833.db2.gz FAWQOFWDHNBJTJ-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)cc1C#N ZINC000074343925 295689338 /nfs/dbraw/zinc/68/93/38/295689338.db2.gz SFQWZKANFUFBKD-UHFFFAOYSA-N -1 0 325.353 2.509 20 30 EFEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000176506101 529693121 /nfs/dbraw/zinc/69/31/21/529693121.db2.gz WWKRCKJRICWIOW-UHFFFAOYSA-N -1 0 347.352 2.535 20 30 EFEDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000066253056 215028161 /nfs/dbraw/zinc/02/81/61/215028161.db2.gz LSLZQSTUEUHBFY-LLVKDONJSA-N -1 0 347.465 2.752 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1SCC#N ZINC000066253603 215028282 /nfs/dbraw/zinc/02/82/82/215028282.db2.gz RQANXXLISCMTMU-UHFFFAOYSA-N -1 0 325.440 2.868 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@H](C)C(=O)N3)n1 ZINC000103795964 219324900 /nfs/dbraw/zinc/32/49/00/219324900.db2.gz LJNMTRYXFPTKIS-MWLCHTKSSA-N -1 0 327.365 2.661 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883904 215919954 /nfs/dbraw/zinc/91/99/54/215919954.db2.gz SQAXLVCCQDNAIG-ZETCQYMHSA-N -1 0 343.298 2.915 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000262520173 240360424 /nfs/dbraw/zinc/36/04/24/240360424.db2.gz DVGICFFADHAOFT-QWHCGFSZSA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262707562 240365635 /nfs/dbraw/zinc/36/56/35/240365635.db2.gz KBIRIVBTSYJBRJ-JOCQHMNTSA-N -1 0 345.399 2.824 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCO2)c(C)c1 ZINC000069282760 238797384 /nfs/dbraw/zinc/79/73/84/238797384.db2.gz KSUYQQSNOVLBIE-UONOGXRCSA-N -1 0 341.429 2.533 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cnn1C ZINC000069603912 238798301 /nfs/dbraw/zinc/79/83/01/238798301.db2.gz BKKPKWQRUWGRCR-UHFFFAOYSA-N -1 0 335.429 2.656 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cn1 ZINC000164935408 239119189 /nfs/dbraw/zinc/11/91/89/239119189.db2.gz LBPPXQAOLZHFEL-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C[C@@H](CC#N)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000171285315 239139506 /nfs/dbraw/zinc/13/95/06/239139506.db2.gz RCRVYALZYNGVBI-VIFPVBQESA-N -1 0 338.289 2.629 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000174029948 239216562 /nfs/dbraw/zinc/21/65/62/239216562.db2.gz AWEBZFXQSZXYIR-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c2cccnc2c1C ZINC000174023264 239217166 /nfs/dbraw/zinc/21/71/66/239217166.db2.gz UGHRTAAUTHSVFD-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000176354942 239314535 /nfs/dbraw/zinc/31/45/35/239314535.db2.gz HAPBMMJZZRBXMD-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM O=C1c2ccc([O-])cc2O/C1=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193046309 240079744 /nfs/dbraw/zinc/07/97/44/240079744.db2.gz GLVDMGIQELIDAL-RZNTYIFUSA-N -1 0 328.236 2.825 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000194621699 240163616 /nfs/dbraw/zinc/16/36/16/240163616.db2.gz HJAODXLPYCZIMO-UHFFFAOYSA-N -1 0 331.184 2.530 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000194620113 240164673 /nfs/dbraw/zinc/16/46/73/240164673.db2.gz GKJFMEICFBMCGE-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(F)c1 ZINC000194623760 240167617 /nfs/dbraw/zinc/16/76/17/240167617.db2.gz WBTPOVRBLJEXFU-UHFFFAOYSA-N -1 0 336.392 2.725 20 30 EFEDRM C#CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CCCC1 ZINC000237666715 240246130 /nfs/dbraw/zinc/24/61/30/240246130.db2.gz GLHWEQKCKXVFEF-UHFFFAOYSA-N -1 0 329.396 2.785 20 30 EFEDRM C=CCN(CC(F)(F)F)C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237576139 240246195 /nfs/dbraw/zinc/24/61/95/240246195.db2.gz OFQJUCBTBSXOQI-UHFFFAOYSA-N -1 0 345.317 2.957 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237571654 240246343 /nfs/dbraw/zinc/24/63/43/240246343.db2.gz JPJCEEJWPHIEBT-LBPRGKRZSA-N -1 0 342.395 2.732 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cn1 ZINC000195440987 240226217 /nfs/dbraw/zinc/22/62/17/240226217.db2.gz KULLDONLMAPPLO-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OC)cc1OCC1CC1)C(=O)[O-] ZINC000262810098 240369546 /nfs/dbraw/zinc/36/95/46/240369546.db2.gz DIBCBJHKLMPCNA-HNNXBMFYSA-N -1 0 333.384 2.633 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC000262065147 240343083 /nfs/dbraw/zinc/34/30/83/240343083.db2.gz HSHWVMADXNLCFO-SFHVURJKSA-N -1 0 336.391 2.734 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)cc(OC)c1OC ZINC000262341030 240347333 /nfs/dbraw/zinc/34/73/33/240347333.db2.gz YLSZZFHQIOBVAY-UHFFFAOYSA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1Cl)C(=O)[O-] ZINC000262803869 240370165 /nfs/dbraw/zinc/37/01/65/240370165.db2.gz CWYRZFIMGMSMRJ-AAEUAGOBSA-N -1 0 325.792 2.951 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000262837245 240372441 /nfs/dbraw/zinc/37/24/41/240372441.db2.gz GKXSWXPVVVJADQ-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Cl)c(OCC)c(OC)c1)C(=O)[O-] ZINC000262851350 240372632 /nfs/dbraw/zinc/37/26/32/240372632.db2.gz HVNILINLKGIODC-LBPRGKRZSA-N -1 0 341.791 2.897 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000262982413 240375175 /nfs/dbraw/zinc/37/51/75/240375175.db2.gz UKXLNIRSUUWJLK-ZDUSSCGKSA-N -1 0 327.327 2.756 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000262989895 240375245 /nfs/dbraw/zinc/37/52/45/240375245.db2.gz SIHSISXWNQIHDJ-UHFFFAOYSA-N -1 0 335.400 2.881 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262956831 240375361 /nfs/dbraw/zinc/37/53/61/240375361.db2.gz IWCGISQGWNZRJJ-CYBMUJFWSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262967207 240375533 /nfs/dbraw/zinc/37/55/33/240375533.db2.gz SFKICEAPHQBUSE-GFCCVEGCSA-N -1 0 331.290 2.620 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262940365 240375584 /nfs/dbraw/zinc/37/55/84/240375584.db2.gz HQFJSNSZGUBRAD-ZDUSSCGKSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000262918164 240375651 /nfs/dbraw/zinc/37/56/51/240375651.db2.gz FYXJLOVNFNQFOU-GFCCVEGCSA-N -1 0 343.832 2.838 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262963422 240375750 /nfs/dbraw/zinc/37/57/50/240375750.db2.gz OMHZRXKOXCFQEW-CQSZACIVSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000263029214 240376059 /nfs/dbraw/zinc/37/60/59/240376059.db2.gz YTLFVMIMKGTZQS-HNNXBMFYSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000263057280 240376103 /nfs/dbraw/zinc/37/61/03/240376103.db2.gz QIXYQTPDPFLOHC-LLVKDONJSA-N -1 0 349.330 2.684 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000263044298 240376258 /nfs/dbraw/zinc/37/62/58/240376258.db2.gz PLNVKZSBJRMCPP-QGZVFWFLSA-N -1 0 327.380 2.544 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000263044226 240376717 /nfs/dbraw/zinc/37/67/17/240376717.db2.gz PKIINBWRYYTIIK-LLVKDONJSA-N -1 0 337.372 2.734 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000263005223 240376932 /nfs/dbraw/zinc/37/69/32/240376932.db2.gz WRPQUZZXPUWQGC-HNNXBMFYSA-N -1 0 344.436 2.812 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263025301 240377154 /nfs/dbraw/zinc/37/71/54/240377154.db2.gz ODKAKBGUGOPLMZ-DOMZBBRYSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000263062983 240377662 /nfs/dbraw/zinc/37/76/62/240377662.db2.gz QSXVBCJSMRQPFV-ZBFHGGJFSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(F)cc2nc(C)c(C)nc21)C(=O)[O-] ZINC000263010408 240378561 /nfs/dbraw/zinc/37/85/61/240378561.db2.gz XDMQXROZXWNGEE-CYBMUJFWSA-N -1 0 331.347 2.535 20 30 EFEDRM N#CCCC[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263390739 240382601 /nfs/dbraw/zinc/38/26/01/240382601.db2.gz QKKXVIOWTNEYIJ-CVEARBPZSA-N -1 0 329.400 2.928 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OC)cc1OCC(C)C)C(=O)[O-] ZINC000263537982 240384604 /nfs/dbraw/zinc/38/46/04/240384604.db2.gz PJUJUCRAVXCTFX-HNNXBMFYSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000263516730 240384741 /nfs/dbraw/zinc/38/47/41/240384741.db2.gz DZFCJJHXQVXIOP-LBPRGKRZSA-N -1 0 331.290 2.663 20 30 EFEDRM C=CCOc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263502422 240385318 /nfs/dbraw/zinc/38/53/18/240385318.db2.gz UGDWCNTURSKUDD-SCLBCKFNSA-N -1 0 330.384 2.970 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccccc1COC1CCOCC1)C(=O)[O-] ZINC000263540069 240385394 /nfs/dbraw/zinc/38/53/94/240385394.db2.gz QKLYHETVEPXDLA-KRWDZBQOSA-N -1 0 347.411 2.531 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263489730 240385446 /nfs/dbraw/zinc/38/54/46/240385446.db2.gz QSRKWTUWLRWBQU-LJQANCHMSA-N -1 0 335.407 2.767 20 30 EFEDRM CCC[C@H](C)C(=O)NCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292314619 241029983 /nfs/dbraw/zinc/02/99/83/241029983.db2.gz LTKBJRNTDCGQPC-VJCPFXPRSA-N -1 0 341.795 2.925 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](CCC)C(=O)[O-])cc1OC ZINC000297164991 241113980 /nfs/dbraw/zinc/11/39/80/241113980.db2.gz LXFKFGXJOSXTBW-TUPIDYKKSA-N -1 0 347.411 2.890 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)CCC)cc2[n-]c1=S ZINC000298274621 241145608 /nfs/dbraw/zinc/14/56/08/241145608.db2.gz CEECEOHZBMVTJX-UHFFFAOYSA-N -1 0 331.441 2.743 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)nc(C)n1 ZINC000328853342 241254349 /nfs/dbraw/zinc/25/43/49/241254349.db2.gz WBGKTDMOYMUXBO-DGCLKSJQSA-N -1 0 328.397 2.892 20 30 EFEDRM O=C1C[C@H](/C([O-])=N/Cc2cn3ccsc3n2)CN1C1CCCC1 ZINC000328957603 241277694 /nfs/dbraw/zinc/27/76/94/241277694.db2.gz ZUQPPHVTOGKUQU-NSHDSACASA-N -1 0 332.429 2.643 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)s[n-]1 ZINC000329481297 241378077 /nfs/dbraw/zinc/37/80/77/241378077.db2.gz RCBZHCSLYWEIQX-SECBINFHSA-N -1 0 326.466 2.930 20 30 EFEDRM CSc1nc(=NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)s[n-]1 ZINC000330709786 241561856 /nfs/dbraw/zinc/56/18/56/241561856.db2.gz WTMNETGZYVDHTI-NXEZZACHSA-N -1 0 330.479 2.602 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)n1 ZINC000340078010 241777651 /nfs/dbraw/zinc/77/76/51/241777651.db2.gz OHBKZCARIWIYGH-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)c2ccncn2)c2c1CCC2 ZINC000354463952 242002044 /nfs/dbraw/zinc/00/20/44/242002044.db2.gz JOZXKMBSTYPFSH-HNNXBMFYSA-N -1 0 343.390 2.950 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1ccccc1Cl ZINC000354466191 241999967 /nfs/dbraw/zinc/99/99/67/241999967.db2.gz KEVVEKLBFMCLTB-NSHDSACASA-N -1 0 338.758 2.509 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1cccc(Cl)c1 ZINC000354460679 242000449 /nfs/dbraw/zinc/00/04/49/242000449.db2.gz FFILQFFRIRTGAO-ZDUSSCGKSA-N -1 0 338.758 2.509 20 30 EFEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3ccncn3)cc2s1 ZINC000354468805 242001284 /nfs/dbraw/zinc/00/12/84/242001284.db2.gz PRGGXUBYSNPLAA-MRVPVSSYSA-N -1 0 329.410 2.704 20 30 EFEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355826723 242046491 /nfs/dbraw/zinc/04/64/91/242046491.db2.gz CXYGTSJJAYDZFK-LBPRGKRZSA-N -1 0 330.413 2.721 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000355872493 242050076 /nfs/dbraw/zinc/05/00/76/242050076.db2.gz XSGCHBBMBFNVAU-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1[N+](=O)[O-] ZINC000355872524 242051039 /nfs/dbraw/zinc/05/10/39/242051039.db2.gz YFXBRCPBROURLT-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM C=CCN=c1[n-]nc(SCC(=O)C2(c3ccccc3)CC2)s1 ZINC000356043582 242060427 /nfs/dbraw/zinc/06/04/27/242060427.db2.gz UYEOOYXETAMZOQ-UHFFFAOYSA-N -1 0 331.466 2.951 20 30 EFEDRM Cn1ccc(S(=O)(=O)[N-]c2ccccc2C#Cc2ccccc2)n1 ZINC000356496468 242073122 /nfs/dbraw/zinc/07/31/22/242073122.db2.gz IQABDJJTXSFZCF-UHFFFAOYSA-N -1 0 337.404 2.621 20 30 EFEDRM C=CCOCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000354625584 242007699 /nfs/dbraw/zinc/00/76/99/242007699.db2.gz DPYMRBJUMIWVAU-UHFFFAOYSA-N -1 0 346.408 2.629 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(F)c1 ZINC000357782630 242105497 /nfs/dbraw/zinc/10/54/97/242105497.db2.gz VXHIQTSXRDOBCU-GFCCVEGCSA-N -1 0 337.310 2.979 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1ccc(C)cc1 ZINC000358117484 242113967 /nfs/dbraw/zinc/11/39/67/242113967.db2.gz FYRLDGWJDIEEGR-MRXNPFEDSA-N -1 0 346.394 2.781 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)OCCOC)n[n-]c1=Nc1cccc(OC)c1 ZINC000359249166 242146070 /nfs/dbraw/zinc/14/60/70/242146070.db2.gz ZXNFLBJWTXPNBW-CQSZACIVSA-N -1 0 346.431 2.752 20 30 EFEDRM Cn1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1[N+](=O)[O-] ZINC000362130106 242242324 /nfs/dbraw/zinc/24/23/24/242242324.db2.gz PHNKSCJYUPJHRJ-VIFPVBQESA-N -1 0 338.245 2.837 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1 ZINC000361519198 242224201 /nfs/dbraw/zinc/22/42/01/242224201.db2.gz MUSUGEIIMUCSJQ-SNVBAGLBSA-N -1 0 337.360 2.968 20 30 EFEDRM N#CCc1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000362738389 242264274 /nfs/dbraw/zinc/26/42/74/242264274.db2.gz VLJNPOUSDPZZSS-INIZCTEOSA-N -1 0 340.354 2.565 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC(C)(C(=O)[O-])CC2)c(OC)c1 ZINC000364180999 242293979 /nfs/dbraw/zinc/29/39/79/242293979.db2.gz JMVGOMFFFODXMW-UHFFFAOYSA-N -1 0 347.411 2.516 20 30 EFEDRM N#C[C@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCC[C@]12CCCCO2 ZINC000365100719 242315961 /nfs/dbraw/zinc/31/59/61/242315961.db2.gz PWSBOXACIMHMEE-CXAGYDPISA-N -1 0 344.440 2.824 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000412197819 243196791 /nfs/dbraw/zinc/19/67/91/243196791.db2.gz WAASIJFDANHXCI-UHFFFAOYSA-N -1 0 336.317 2.929 20 30 EFEDRM C=CCC[C@H](CO)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000412402651 243304193 /nfs/dbraw/zinc/30/41/93/243304193.db2.gz NTWGQGKLABENBW-SECBINFHSA-N -1 0 348.624 2.865 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)nn1CCC#N ZINC000414382104 244121725 /nfs/dbraw/zinc/12/17/25/244121725.db2.gz NPDNIXXLELMDAX-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1nn([C@@H](C)c2ccccc2)cc1C ZINC000416954835 244931237 /nfs/dbraw/zinc/93/12/37/244931237.db2.gz JAJJBQFORXFVKK-ZFWWWQNUSA-N -1 0 332.429 2.845 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000263178377 245352888 /nfs/dbraw/zinc/35/28/88/245352888.db2.gz ZIZAODRJHRQSHZ-OCCSQVGLSA-N -1 0 333.384 2.585 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000111561921 220165913 /nfs/dbraw/zinc/16/59/13/220165913.db2.gz SDSCKHZNXZGRIE-QWRGUYRKSA-N -1 0 345.284 2.914 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cn1 ZINC000150867073 223751498 /nfs/dbraw/zinc/75/14/98/223751498.db2.gz NTOJBIHOKCVMID-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000425262639 247019482 /nfs/dbraw/zinc/01/94/82/247019482.db2.gz YUTABNRMTNLZDS-DYEKYZERSA-N -1 0 335.425 2.573 20 30 EFEDRM C=CCCn1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)nn1 ZINC000425260697 247019865 /nfs/dbraw/zinc/01/98/65/247019865.db2.gz VIJQPIPPHAZBEA-OAHLLOKOSA-N -1 0 348.447 2.788 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s[n-]1 ZINC000425683816 247166375 /nfs/dbraw/zinc/16/63/75/247166375.db2.gz MIHWBWQQSMULDD-QWRGUYRKSA-N -1 0 345.428 2.764 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)n[nH]2)o1 ZINC000427316186 247335864 /nfs/dbraw/zinc/33/58/64/247335864.db2.gz QOWIIYQSJTZZGX-UHFFFAOYSA-N -1 0 346.343 2.790 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427099802 247315710 /nfs/dbraw/zinc/31/57/10/247315710.db2.gz IKWMTBROGGVMDL-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1F ZINC000427750511 247390026 /nfs/dbraw/zinc/39/00/26/247390026.db2.gz VQWCWLNZEIDDIQ-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1F ZINC000427790058 247394452 /nfs/dbraw/zinc/39/44/52/247394452.db2.gz REDRMFGCUPSKQQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COC(=O)c1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430638733 247819160 /nfs/dbraw/zinc/81/91/60/247819160.db2.gz GHURSDHRTBMSBO-VIFPVBQESA-N -1 0 344.396 2.507 20 30 EFEDRM CCSc1nnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000431341937 247891361 /nfs/dbraw/zinc/89/13/61/247891361.db2.gz OTNKZQAZBPVYEY-UHFFFAOYSA-N -1 0 340.455 2.631 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2Oc2ccccc2C#N)c1C#N ZINC000431696507 247930189 /nfs/dbraw/zinc/93/01/89/247930189.db2.gz DNEBTGJACDZEJV-UHFFFAOYSA-N -1 0 343.346 2.928 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000432888155 248002515 /nfs/dbraw/zinc/00/25/15/248002515.db2.gz CCYPMZSWORDQBK-UHFFFAOYSA-N -1 0 349.419 2.817 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000431999497 247963810 /nfs/dbraw/zinc/96/38/10/247963810.db2.gz CUEKOFQPLWLDIL-ZDUSSCGKSA-N -1 0 338.363 2.839 20 30 EFEDRM CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435340584 248227100 /nfs/dbraw/zinc/22/71/00/248227100.db2.gz KDRFPOSBFJISER-DHZHZOJOSA-N -1 0 325.368 2.918 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)s1 ZINC000435474773 248245089 /nfs/dbraw/zinc/24/50/89/248245089.db2.gz PGASMFVVJLUGCU-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)s1 ZINC000435501133 248245764 /nfs/dbraw/zinc/24/57/64/248245764.db2.gz JVAHXAQMUGGWJO-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)s1 ZINC000435490569 248245838 /nfs/dbraw/zinc/24/58/38/248245838.db2.gz HSGYJFXLUKUJST-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)s1 ZINC000435498255 248245893 /nfs/dbraw/zinc/24/58/93/248245893.db2.gz VFQDNYZYILHRSZ-UHFFFAOYSA-N -1 0 347.421 2.547 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000435478285 248245930 /nfs/dbraw/zinc/24/59/30/248245930.db2.gz SWIXCYVJSCMTOW-UHFFFAOYSA-N -1 0 347.421 2.769 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)s1 ZINC000435483581 248245944 /nfs/dbraw/zinc/24/59/44/248245944.db2.gz LTSIMPQQYNVZOJ-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000012521296 211397160 /nfs/dbraw/zinc/39/71/60/211397160.db2.gz IOIUFUNCHYHTTP-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1Cl ZINC000438239210 249754796 /nfs/dbraw/zinc/75/47/96/249754796.db2.gz QUOYSOYQPYZBFG-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000438259680 249756691 /nfs/dbraw/zinc/75/66/91/249756691.db2.gz UUNLULMNVXDIBE-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442623255 250091781 /nfs/dbraw/zinc/09/17/81/250091781.db2.gz NQDASTVLUGQSJI-UHFFFAOYSA-N -1 0 337.379 2.583 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1[O-] ZINC000442630599 250092854 /nfs/dbraw/zinc/09/28/54/250092854.db2.gz QTYFOPLBRKBYQI-UHFFFAOYSA-N -1 0 336.351 2.800 20 30 EFEDRM CCN(Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1)C(C)=O ZINC000442631419 250093196 /nfs/dbraw/zinc/09/31/96/250093196.db2.gz TZLMEKZQBQXFMI-UHFFFAOYSA-N -1 0 337.379 2.885 20 30 EFEDRM N#CCCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000442642834 250094516 /nfs/dbraw/zinc/09/45/16/250094516.db2.gz CQULMPZXGLAKBL-UHFFFAOYSA-N -1 0 349.346 2.596 20 30 EFEDRM CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000443912792 250234793 /nfs/dbraw/zinc/23/47/93/250234793.db2.gz GDKVHDWLZLWEJE-MRXNPFEDSA-N -1 0 348.424 2.688 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000097140265 218969273 /nfs/dbraw/zinc/96/92/73/218969273.db2.gz DFDUZERAWYIWDJ-UHFFFAOYSA-N -1 0 332.429 2.760 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1C ZINC000177300580 533072865 /nfs/dbraw/zinc/07/28/65/533072865.db2.gz RRAUCXWLBJCXOD-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM C=C(C)Cn1c(-c2ccc3ccccc3n2)n[n-]c1=Nc1cnn(C)c1 ZINC000460965244 255958331 /nfs/dbraw/zinc/95/83/31/255958331.db2.gz YIWKLXPKVGVYTP-UHFFFAOYSA-N -1 0 345.410 2.968 20 30 EFEDRM CC#CCSc1nc([O-])c(CC)c(=O)n1-c1cccc(OC)c1 ZINC000463262269 255977952 /nfs/dbraw/zinc/97/79/52/255977952.db2.gz ZFOZETJPXMYQAS-UHFFFAOYSA-N -1 0 330.409 2.625 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000408513710 257984397 /nfs/dbraw/zinc/98/43/97/257984397.db2.gz NCGPYJPEVPSOCM-RTBURBONSA-N -1 0 348.402 2.829 20 30 EFEDRM CCc1ccc(CC(=O)[N-]S(=O)(=O)c2cn(CC)c(C)n2)cc1 ZINC000097141053 258068695 /nfs/dbraw/zinc/06/86/95/258068695.db2.gz UWUCWAMCSBJEDV-UHFFFAOYSA-N -1 0 335.429 2.662 20 30 EFEDRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000108640083 141359671 /nfs/dbraw/zinc/35/96/71/141359671.db2.gz PRKZNPAVSZUEIE-UHFFFAOYSA-N -1 0 332.429 2.681 20 30 EFEDRM N#Cc1ccc(CN2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263441586 141394498 /nfs/dbraw/zinc/39/44/98/141394498.db2.gz DQPUWXVXHHTUHZ-UHFFFAOYSA-N -1 0 335.407 2.574 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]nc2ccccn21 ZINC000344742352 142071320 /nfs/dbraw/zinc/07/13/20/142071320.db2.gz DKVRADREKPZGAE-UHFFFAOYSA-N -1 0 348.410 2.713 20 30 EFEDRM Cc1csc(NC(=O)c2csc(S(C)(=O)=O)c2)c1C#N ZINC000344885050 142092401 /nfs/dbraw/zinc/09/24/01/142092401.db2.gz BJAAKIAAQFADQY-UHFFFAOYSA-N -1 0 326.424 2.646 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000346009223 142132869 /nfs/dbraw/zinc/13/28/69/142132869.db2.gz YBFRWWJWANDWCB-BBRMVZONSA-N -1 0 344.411 2.865 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1 ZINC000340634824 144907074 /nfs/dbraw/zinc/90/70/74/144907074.db2.gz XYAIFHSNRLEQSH-UHFFFAOYSA-N -1 0 338.820 2.698 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1 ZINC000340637316 144908148 /nfs/dbraw/zinc/90/81/48/144908148.db2.gz FMEIZBHQYFEDKO-UHFFFAOYSA-N -1 0 338.820 2.698 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)o1 ZINC000340987640 144967549 /nfs/dbraw/zinc/96/75/49/144967549.db2.gz WHGSQYQAGGZWRA-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000341281152 145025472 /nfs/dbraw/zinc/02/54/72/145025472.db2.gz LYVGIGQFJSOIQA-UHFFFAOYSA-N -1 0 343.343 2.552 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1C#N ZINC000343792650 145296234 /nfs/dbraw/zinc/29/62/34/145296234.db2.gz NKBURZMNOVDKQA-UHFFFAOYSA-N -1 0 339.376 2.509 20 30 EFEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[nH]n1 ZINC000350686775 146080612 /nfs/dbraw/zinc/08/06/12/146080612.db2.gz YMVLHFBKALKGGD-UHFFFAOYSA-N -1 0 338.820 2.934 20 30 EFEDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000351104133 146110711 /nfs/dbraw/zinc/11/07/11/146110711.db2.gz ASMKGSZFYSFXDM-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000351452135 146124777 /nfs/dbraw/zinc/12/47/77/146124777.db2.gz NDYILPUCLJQERH-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM COc1ccc(C(=O)COc2ccc(C#N)c(C)c2)c2occ([O-])c21 ZINC000351667671 146172743 /nfs/dbraw/zinc/17/27/43/146172743.db2.gz KPIITISFQXFTLY-UHFFFAOYSA-N -1 0 337.331 2.712 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1O ZINC000351760509 146197379 /nfs/dbraw/zinc/19/73/79/146197379.db2.gz GYXAIABVMUMJHW-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)c1C#N ZINC000355880676 147090584 /nfs/dbraw/zinc/09/05/84/147090584.db2.gz NQVLVKXVLFCLOE-UHFFFAOYSA-N -1 0 330.413 2.656 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)ccc1C#N ZINC000355884178 147090994 /nfs/dbraw/zinc/09/09/94/147090994.db2.gz MMPFELROKOOIIM-UHFFFAOYSA-N -1 0 330.413 2.656 20 30 EFEDRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C#N)c(C)c3)o2)c1 ZINC000359310636 148052820 /nfs/dbraw/zinc/05/28/20/148052820.db2.gz SMTWPOKUGMBWNJ-UHFFFAOYSA-N -1 0 334.379 2.883 20 30 EFEDRM Cc1cc(=NC(=O)c2occc2COc2cccc(C#N)c2)[n-]nc1C ZINC000359502823 148103511 /nfs/dbraw/zinc/10/35/11/148103511.db2.gz LUPHRAMYNRSRHW-UHFFFAOYSA-N -1 0 348.362 2.811 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(Br)cc1F ZINC000359713822 148169378 /nfs/dbraw/zinc/16/93/78/148169378.db2.gz FJDSNHIUKSETBW-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1csc(-c2ccoc2)n1 ZINC000359716034 148170380 /nfs/dbraw/zinc/17/03/80/148170380.db2.gz LCJILNFWPKRUTE-UHFFFAOYSA-N -1 0 325.353 2.549 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccn(Cc2ccccc2)c1 ZINC000359726910 148173726 /nfs/dbraw/zinc/17/37/26/148173726.db2.gz QOPNABPIRIJKJZ-UHFFFAOYSA-N -1 0 331.379 2.683 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3F)n2)o1 ZINC000359855401 148208132 /nfs/dbraw/zinc/20/81/32/148208132.db2.gz KMDGIMWQUOCHOZ-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Br)c1 ZINC000359982004 148241048 /nfs/dbraw/zinc/24/10/48/148241048.db2.gz SVKJUBVGTLIWER-QMMMGPOBSA-N -1 0 344.172 2.658 20 30 EFEDRM COCC1(C#N)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436664517 292207846 /nfs/dbraw/zinc/20/78/46/292207846.db2.gz OQZKURLYCHKOPX-UHFFFAOYSA-N -1 0 326.755 2.577 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C ZINC000357993999 286204675 /nfs/dbraw/zinc/20/46/75/286204675.db2.gz QKKYFJWGDOUTPP-VIFPVBQESA-N -1 0 345.309 2.664 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)s1 ZINC000373819913 151231156 /nfs/dbraw/zinc/23/11/56/151231156.db2.gz PKNDPYRRFMKDLE-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408498580 152202165 /nfs/dbraw/zinc/20/21/65/152202165.db2.gz LNILXNJFYLQSAN-GXFFZTMASA-N -1 0 340.832 2.843 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000181500519 544934200 /nfs/dbraw/zinc/93/42/00/544934200.db2.gz SYAPGJNHCQKTJZ-CYBMUJFWSA-N -1 0 340.431 2.755 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C#N)cc1Cl ZINC000432965649 269768690 /nfs/dbraw/zinc/76/86/90/269768690.db2.gz ONKRFPIIJDHYPI-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1C1CCCCC1 ZINC000290480577 270024288 /nfs/dbraw/zinc/02/42/88/270024288.db2.gz HWWNMOOUWJJQKF-UHFFFAOYSA-N -1 0 345.428 2.764 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427258894 270028030 /nfs/dbraw/zinc/02/80/30/270028030.db2.gz DQUSLTBXTWUNRR-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1C#N ZINC000431674984 270028191 /nfs/dbraw/zinc/02/81/91/270028191.db2.gz VWDOEHKCLXYZER-UHFFFAOYSA-N -1 0 343.346 2.928 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000492749264 270032719 /nfs/dbraw/zinc/03/27/19/270032719.db2.gz GIJGSZWPRQEZNE-CMDGGOBGSA-N -1 0 340.404 2.526 20 30 EFEDRM N#Cc1ccc(C=CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000492792963 270032862 /nfs/dbraw/zinc/03/28/62/270032862.db2.gz MGHZKCKOEHJSLJ-HJWRWDBZSA-N -1 0 331.335 2.701 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1C#N ZINC000187726169 265115484 /nfs/dbraw/zinc/11/54/84/265115484.db2.gz MQHBXYTZCDPSMT-LBPRGKRZSA-N -1 0 330.413 2.835 20 30 EFEDRM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000191889771 265280253 /nfs/dbraw/zinc/28/02/53/265280253.db2.gz MWECJIHQSVPKFB-UHFFFAOYSA-N -1 0 330.409 2.856 20 30 EFEDRM CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000291934786 265746981 /nfs/dbraw/zinc/74/69/81/265746981.db2.gz XEKPIKCLAPKGLZ-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1cccc(F)c1C#N ZINC000292149602 267110262 /nfs/dbraw/zinc/11/02/62/267110262.db2.gz CCXFKNRTHOTHBQ-BXKDBHETSA-N -1 0 329.297 2.733 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(F)ccc1C#N ZINC000292185608 267110332 /nfs/dbraw/zinc/11/03/32/267110332.db2.gz QXHKNUBNRRQXQZ-QMTHXVAHSA-N -1 0 343.324 2.729 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000277125674 267118616 /nfs/dbraw/zinc/11/86/16/267118616.db2.gz ZMKKCMRRPFTOCP-UHFFFAOYSA-N -1 0 346.412 2.747 20 30 EFEDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000490712537 267130051 /nfs/dbraw/zinc/13/00/51/267130051.db2.gz FEHJUECWLRLCAX-UHFFFAOYSA-N -1 0 345.380 2.927 20 30 EFEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F ZINC000277737049 267248370 /nfs/dbraw/zinc/24/83/70/267248370.db2.gz PFDVFAVIQYKGGA-ZWNOBZJWSA-N -1 0 334.363 2.955 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000417802989 267305096 /nfs/dbraw/zinc/30/50/96/267305096.db2.gz XMBXYLLRGCGTDF-UHFFFAOYSA-N -1 0 345.277 2.785 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(cc2C#N)CCC3)c(C)s1 ZINC000284033719 267360805 /nfs/dbraw/zinc/36/08/05/267360805.db2.gz KJXBYUXEVXZURE-UHFFFAOYSA-N -1 0 333.438 2.921 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)cc(C(=O)[O-])c1 ZINC000507583995 268012418 /nfs/dbraw/zinc/01/24/18/268012418.db2.gz QJYICBWYKFFWQH-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc12 ZINC000515263495 268090952 /nfs/dbraw/zinc/09/09/52/268090952.db2.gz DKFKXJYTDXXPMD-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)ccc1Cl ZINC000527195455 268178869 /nfs/dbraw/zinc/17/88/69/268178869.db2.gz VILUFUIAAUFTQM-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1[O-] ZINC000492307839 268204916 /nfs/dbraw/zinc/20/49/16/268204916.db2.gz OBQNATHBSRKBLI-UHFFFAOYSA-N -1 0 341.298 2.612 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCOCC3)cs2)cc1 ZINC000285158152 268208042 /nfs/dbraw/zinc/20/80/42/268208042.db2.gz SCKZNIIMCCSINZ-UHFFFAOYSA-N -1 0 349.437 2.710 20 30 EFEDRM N#Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(F)c1 ZINC000417713380 268233286 /nfs/dbraw/zinc/23/32/86/268233286.db2.gz YEJKNBSBPBNDIA-UHFFFAOYSA-N -1 0 325.343 2.958 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1sccc1F ZINC000451016056 268316191 /nfs/dbraw/zinc/31/61/91/268316191.db2.gz GZLNZFQNKFTTFK-UHFFFAOYSA-N -1 0 340.405 2.871 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355850638 279517216 /nfs/dbraw/zinc/51/72/16/279517216.db2.gz XVSSGRHWILNGMS-UHFFFAOYSA-N -1 0 340.408 2.857 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000416234719 281332457 /nfs/dbraw/zinc/33/24/57/281332457.db2.gz PLCOQJFDZAHWDQ-ZDUSSCGKSA-N -1 0 327.153 2.716 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000438239550 288758533 /nfs/dbraw/zinc/75/85/33/288758533.db2.gz MCPXWQREXNPFPL-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM COCc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128691025 293112255 /nfs/dbraw/zinc/11/22/55/293112255.db2.gz WFYBOEGYFXEZII-UHFFFAOYSA-N -1 0 338.335 2.784 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F ZINC000131870195 293211637 /nfs/dbraw/zinc/21/16/37/293211637.db2.gz CQXMVQXFKISZSN-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000154008555 293405093 /nfs/dbraw/zinc/40/50/93/293405093.db2.gz NJOTXHXHNWIUFH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000156251462 293503208 /nfs/dbraw/zinc/50/32/08/293503208.db2.gz FCFHFPWZLMEBKX-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1cccc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000158824528 293585606 /nfs/dbraw/zinc/58/56/06/293585606.db2.gz DUDVOYKRAKROCJ-UHFFFAOYSA-N -1 0 329.406 2.672 20 30 EFEDRM N#CC1(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCCC1 ZINC000194044187 303147024 /nfs/dbraw/zinc/14/70/24/303147024.db2.gz FFYFTZBTXGOYDJ-UHFFFAOYSA-N -1 0 330.775 2.797 20 30 EFEDRM N#C[C@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCC[C@@]12CCCCO2 ZINC000365100720 303171990 /nfs/dbraw/zinc/17/19/90/303171990.db2.gz PWSBOXACIMHMEE-DYVFJYSZSA-N -1 0 344.440 2.824 20 30 EFEDRM N#Cc1cccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000048304052 303201914 /nfs/dbraw/zinc/20/19/14/303201914.db2.gz GUEAORLUJBGRNT-ZROIWOOFSA-N -1 0 343.342 2.911 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1C#N ZINC000137234384 310668077 /nfs/dbraw/zinc/66/80/77/310668077.db2.gz GZGPVOZVOOSYKR-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000164593490 310731140 /nfs/dbraw/zinc/73/11/40/310731140.db2.gz MHNOBYIFHIKJFY-UHFFFAOYSA-N -1 0 336.392 2.741 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172357671 310759282 /nfs/dbraw/zinc/75/92/82/310759282.db2.gz OGZBEACVRYOKQQ-UHFFFAOYSA-N -1 0 332.743 2.943 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000325951385 311243724 /nfs/dbraw/zinc/24/37/24/311243724.db2.gz DTNZEBGMUSTHPE-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CC(C)(C)c1cccc(OCCNS(=O)(=O)c2ccc(C#N)o2)c1 ZINC000553492282 318284872 /nfs/dbraw/zinc/28/48/72/318284872.db2.gz XUGFDEVKUBGTHS-UHFFFAOYSA-N -1 0 348.424 2.806 20 30 EFEDRM CC(C)(C)CC[C@](C)(NS(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000560076801 318526548 /nfs/dbraw/zinc/52/65/48/318526548.db2.gz DLXUIDFNOUMYRS-INIZCTEOSA-N -1 0 338.429 2.506 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1C ZINC000565868889 319009330 /nfs/dbraw/zinc/00/93/30/319009330.db2.gz SAEHVIXMFZWYOJ-UHFFFAOYSA-N -1 0 346.412 2.667 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000567532472 319180102 /nfs/dbraw/zinc/18/01/02/319180102.db2.gz MAIOKMIMCHJWHW-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c(F)c1 ZINC000568607330 319300585 /nfs/dbraw/zinc/30/05/85/319300585.db2.gz OKZCPPHRCWFLAF-CQSZACIVSA-N -1 0 326.368 2.693 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N=c3[n-]nc(C4CC4)s3)on2)c1 ZINC000568712987 319309869 /nfs/dbraw/zinc/30/98/69/319309869.db2.gz JNUUJEQLMDQXEU-UHFFFAOYSA-N -1 0 337.364 2.616 20 30 EFEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3ccco3)s2)nc1 ZINC000570505857 319483272 /nfs/dbraw/zinc/48/32/72/319483272.db2.gz PKFUWKFSTFYXKM-UHFFFAOYSA-N -1 0 329.410 2.724 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000573890224 319807663 /nfs/dbraw/zinc/80/76/63/319807663.db2.gz IGTKPVQEYAJELU-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc1C#N ZINC000579442661 323957127 /nfs/dbraw/zinc/95/71/27/323957127.db2.gz KCFLVHAOZWEWGA-YPERWKGASA-N -1 0 343.452 2.889 20 30 EFEDRM N#Cc1ccc(OCC(=O)[O-])cc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000580214365 324122478 /nfs/dbraw/zinc/12/24/78/324122478.db2.gz SVNLFMVQTIXKOY-QGZVFWFLSA-N -1 0 339.347 2.856 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000581125476 324309993 /nfs/dbraw/zinc/30/99/93/324309993.db2.gz MRPIDDCVHUOWFS-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(Oc2ccc(Cl)cc2)CC1 ZINC000581963576 324489701 /nfs/dbraw/zinc/48/97/01/324489701.db2.gz GDFYLRPQDASXEF-UHFFFAOYSA-N -1 0 342.786 2.784 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3cccc(C#N)c3)cc2=O)cc1 ZINC000081484948 473206656 /nfs/dbraw/zinc/20/66/56/473206656.db2.gz NLCRNDPLYBKRDR-CQSZACIVSA-N -1 0 346.390 2.837 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130352827 472600525 /nfs/dbraw/zinc/60/05/25/472600525.db2.gz MIYBCYBISSDZBN-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000081756299 473250047 /nfs/dbraw/zinc/25/00/47/473250047.db2.gz GVANRZGHZRISRS-PRHODGIISA-N -1 0 328.488 2.508 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000184862904 473257923 /nfs/dbraw/zinc/25/79/23/473257923.db2.gz ZCLXVGAVAQXPKE-UHFFFAOYSA-N -1 0 335.784 2.764 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)noc1C1CC1 ZINC000184911298 473270560 /nfs/dbraw/zinc/27/05/60/473270560.db2.gz JLLKSAREELBTTA-UHFFFAOYSA-N -1 0 333.369 2.542 20 30 EFEDRM N#Cc1c(NC(=O)c2cccc(Br)c2[O-])n[nH]c1C1CC1 ZINC000515472448 467994026 /nfs/dbraw/zinc/99/40/26/467994026.db2.gz MYABZVIBNFYDCK-UHFFFAOYSA-N -1 0 347.172 2.879 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)s1 ZINC000610725122 469052753 /nfs/dbraw/zinc/05/27/53/469052753.db2.gz GOIOCBFKICWQHY-UHFFFAOYSA-N -1 0 349.315 2.714 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000177300427 473350631 /nfs/dbraw/zinc/35/06/31/473350631.db2.gz VYAFXZIVSTVHGC-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000177300146 473351636 /nfs/dbraw/zinc/35/16/36/473351636.db2.gz KJQBSUWKWOSNOJ-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000614326223 469909656 /nfs/dbraw/zinc/90/96/56/469909656.db2.gz OEWKDACLMLEZRC-UHFFFAOYSA-N -1 0 347.343 2.975 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000274483653 473844101 /nfs/dbraw/zinc/84/41/01/473844101.db2.gz YIZVKHNDWVWLMX-UHFFFAOYSA-N -1 0 329.219 2.863 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345812754 475473432 /nfs/dbraw/zinc/47/34/32/475473432.db2.gz YTFGLWQVDQNECQ-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000416960541 477387137 /nfs/dbraw/zinc/38/71/37/477387137.db2.gz OKQIJBDZVVRQTJ-MRVPVSSYSA-N -1 0 335.198 2.941 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1 ZINC000619816858 479889413 /nfs/dbraw/zinc/88/94/13/479889413.db2.gz ONHXIQLAZNAYHZ-SECBINFHSA-N -1 0 331.353 2.675 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000619856196 479896379 /nfs/dbraw/zinc/89/63/79/479896379.db2.gz RDBGXXCJBITFNT-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006650794 471557848 /nfs/dbraw/zinc/55/78/48/471557848.db2.gz QAAWPSPJRNNXOM-LLVKDONJSA-N -1 0 336.307 2.970 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1C ZINC000007323501 471606330 /nfs/dbraw/zinc/60/63/30/471606330.db2.gz ZIISCLUXFRHKLT-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000007727222 471633777 /nfs/dbraw/zinc/63/37/77/471633777.db2.gz IESVKTPIUZPACL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000013278919 471824896 /nfs/dbraw/zinc/82/48/96/471824896.db2.gz LNSMEHMGAVGEEN-UHFFFAOYSA-N -1 0 348.405 2.779 20 30 EFEDRM COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000016976082 471953331 /nfs/dbraw/zinc/95/33/31/471953331.db2.gz SYHQIVYKVQYSOQ-SOFYXZRVSA-N -1 0 343.291 2.934 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000035298545 471995606 /nfs/dbraw/zinc/99/56/06/471995606.db2.gz CNQDCHZXOVZEOT-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2ccccc2o1 ZINC000041539569 472068165 /nfs/dbraw/zinc/06/81/65/472068165.db2.gz OBVURUKVUQBXBF-CYBMUJFWSA-N -1 0 329.319 2.899 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000054428395 472088124 /nfs/dbraw/zinc/08/81/24/472088124.db2.gz OUKGGIZBFQRTHH-GFCCVEGCSA-N -1 0 328.397 2.506 20 30 EFEDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1 ZINC000042296492 472127155 /nfs/dbraw/zinc/12/71/55/472127155.db2.gz NLHFNLQXUGUZQE-UHFFFAOYSA-N -1 0 342.417 2.624 20 30 EFEDRM CCCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1OC ZINC000026273598 472130380 /nfs/dbraw/zinc/13/03/80/472130380.db2.gz RHTJSKHAWMKZDG-UHFFFAOYSA-N -1 0 339.355 2.593 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000042338428 472130596 /nfs/dbraw/zinc/13/05/96/472130596.db2.gz ZCNMJTUCLCULGK-OAHLLOKOSA-N -1 0 347.440 2.802 20 30 EFEDRM CC(C)(C#N)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000026547731 472142098 /nfs/dbraw/zinc/14/20/98/472142098.db2.gz COWVRAIXAWUFHL-UHFFFAOYSA-N -1 0 344.392 2.987 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)C#N)n2)c1 ZINC000084385086 472174355 /nfs/dbraw/zinc/17/43/55/472174355.db2.gz FZAAIDSYWPFSIZ-CYBMUJFWSA-N -1 0 326.400 2.933 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1C ZINC000055615375 472212554 /nfs/dbraw/zinc/21/25/54/472212554.db2.gz MYBZAEKAPJYCRH-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000069559958 472369303 /nfs/dbraw/zinc/36/93/03/472369303.db2.gz JFWWENJCLQGVLU-MRVPVSSYSA-N -1 0 349.272 2.578 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604136 472379321 /nfs/dbraw/zinc/37/93/21/472379321.db2.gz JKCCYPZUNPDTNT-UHFFFAOYSA-N -1 0 349.456 2.964 20 30 EFEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nnc2n1CCCCC2 ZINC000097000180 472407073 /nfs/dbraw/zinc/40/70/73/472407073.db2.gz BZNLBFFLTZYWQT-NSHDSACASA-N -1 0 327.413 2.828 20 30 EFEDRM CCn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000154320290 472416924 /nfs/dbraw/zinc/41/69/24/472416924.db2.gz BRQUULHTHYSUJP-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(C)c(C)cc2Cl)cn1 ZINC000097081004 472434441 /nfs/dbraw/zinc/43/44/41/472434441.db2.gz LWUWCZOTTVKICE-UHFFFAOYSA-N -1 0 341.820 2.867 20 30 EFEDRM CCN(CC)c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1F ZINC000128394686 472446174 /nfs/dbraw/zinc/44/61/74/472446174.db2.gz DAEMJINYAZYHEG-KOEDOTQGSA-N -1 0 345.370 2.900 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn3c2nc(C)cc3C)n1 ZINC000069832682 472446615 /nfs/dbraw/zinc/44/66/15/472446615.db2.gz QGLLOEWHMYZIQB-GFCCVEGCSA-N -1 0 325.397 2.910 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C=Cc2ccc(F)cc2)c1 ZINC000089490433 472451604 /nfs/dbraw/zinc/45/16/04/472451604.db2.gz BPAKKFNYNWCBBO-VMPITWQZSA-N -1 0 337.376 2.962 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1ncccc1C(F)(F)F ZINC000097112905 472453640 /nfs/dbraw/zinc/45/36/40/472453640.db2.gz FQHYXDBESFYBHU-UHFFFAOYSA-N -1 0 336.316 2.855 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000117740860 472477693 /nfs/dbraw/zinc/47/76/93/472477693.db2.gz AXJDXUFFCSZIGH-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc(F)c2)cc1 ZINC000101372608 472532001 /nfs/dbraw/zinc/53/20/01/472532001.db2.gz NPMKPHGOLQMLMV-QGZVFWFLSA-N -1 0 340.354 2.782 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000119358521 472548477 /nfs/dbraw/zinc/54/84/77/472548477.db2.gz GHUYDHQHRGQWQO-CYBMUJFWSA-N -1 0 337.376 2.732 20 30 EFEDRM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cn1 ZINC000102115534 472564928 /nfs/dbraw/zinc/56/49/28/472564928.db2.gz ZJSIQQCPNLMITJ-CYBMUJFWSA-N -1 0 331.397 2.752 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000130296756 472596109 /nfs/dbraw/zinc/59/61/09/472596109.db2.gz KORXVYPOZMMDIM-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130310990 472597116 /nfs/dbraw/zinc/59/71/16/472597116.db2.gz HUDSIBPQYWZDBE-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130307830 472597304 /nfs/dbraw/zinc/59/73/04/472597304.db2.gz BLQOYKIGAXNVRI-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c(C)n1C(C)C ZINC000071892484 472603563 /nfs/dbraw/zinc/60/35/63/472603563.db2.gz YURSZKIIPDNVNA-CQSZACIVSA-N -1 0 342.461 2.889 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000046927446 472624238 /nfs/dbraw/zinc/62/42/38/472624238.db2.gz LUQBNQNLDMRKII-UHFFFAOYSA-N -1 0 334.353 2.791 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000120072751 472627059 /nfs/dbraw/zinc/62/70/59/472627059.db2.gz KHXFVGDPXNLUHI-UHFFFAOYSA-N -1 0 337.319 2.810 20 30 EFEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1Cl ZINC000156284997 472687580 /nfs/dbraw/zinc/68/75/80/472687580.db2.gz PRBHUSPTKIPQFV-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2C)cc1OC ZINC000061110609 472690819 /nfs/dbraw/zinc/69/08/19/472690819.db2.gz SYVHSUHDRKFFHF-UHFFFAOYSA-N -1 0 341.410 2.767 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)Cc2cccs2)cc1C#N ZINC000078601591 472740314 /nfs/dbraw/zinc/74/03/14/472740314.db2.gz YVEQDUKAOOKNMH-VIFPVBQESA-N -1 0 333.438 2.803 20 30 EFEDRM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017979 472783117 /nfs/dbraw/zinc/78/31/17/472783117.db2.gz GMYFHEGVEKHACJ-NWDGAFQWSA-N -1 0 337.401 2.714 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)c2ccccc2)cc1C#N ZINC000078899178 472786844 /nfs/dbraw/zinc/78/68/44/472786844.db2.gz GMMKLCQZIQIYKH-LLVKDONJSA-N -1 0 327.409 2.914 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000063878515 472824353 /nfs/dbraw/zinc/82/43/53/472824353.db2.gz BUJDOFNZXHWVHG-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cn1 ZINC000157664342 472845711 /nfs/dbraw/zinc/84/57/11/472845711.db2.gz MOMMHEUEYBPXAS-UHFFFAOYSA-N -1 0 348.428 2.947 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2=O)cc1 ZINC000073766734 472870932 /nfs/dbraw/zinc/87/09/32/472870932.db2.gz FPGQUITZKMTZSF-AUUYWEPGSA-N -1 0 338.411 2.676 20 30 EFEDRM CC(C)(C)OC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048428115 472875255 /nfs/dbraw/zinc/87/52/55/472875255.db2.gz MHBWOFWBOFNJKD-UHFFFAOYSA-N -1 0 348.446 2.698 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000048422531 472876022 /nfs/dbraw/zinc/87/60/22/472876022.db2.gz LAVZOFNZRJUUDF-LLVKDONJSA-N -1 0 342.417 2.553 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2noc3c2CCCC3)c(C)c1 ZINC000048477086 472882009 /nfs/dbraw/zinc/88/20/09/472882009.db2.gz XNHSNXZSBOUTQN-UHFFFAOYSA-N -1 0 334.397 2.864 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)SC)cc1OCC ZINC000048494096 472882361 /nfs/dbraw/zinc/88/23/61/472882361.db2.gz FJUZHJJKBZRYFV-JTQLQIEISA-N -1 0 347.458 2.881 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)SC)cc1OCC ZINC000048494094 472882754 /nfs/dbraw/zinc/88/27/54/472882754.db2.gz FJUZHJJKBZRYFV-SNVBAGLBSA-N -1 0 347.458 2.881 20 30 EFEDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1 ZINC000048492760 472882842 /nfs/dbraw/zinc/88/28/42/472882842.db2.gz VFBWQSYDLOYHCU-UHFFFAOYSA-N -1 0 342.417 2.624 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000106724379 472883554 /nfs/dbraw/zinc/88/35/54/472883554.db2.gz OTUDSOOUGPZQES-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)Cc2ccccc2C1 ZINC000092268884 472886645 /nfs/dbraw/zinc/88/66/45/472886645.db2.gz JDEAFQUXQHIYJY-UHFFFAOYSA-N -1 0 348.374 2.672 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000048576030 472890015 /nfs/dbraw/zinc/89/00/15/472890015.db2.gz SLSVWKBQFNMIPE-UHFFFAOYSA-N -1 0 339.756 2.762 20 30 EFEDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615350 472893937 /nfs/dbraw/zinc/89/39/37/472893937.db2.gz ZXCGEQVEMFCHRE-UHFFFAOYSA-N -1 0 334.397 2.864 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1CC=CCC1 ZINC000048642989 472895819 /nfs/dbraw/zinc/89/58/19/472895819.db2.gz KRJBANXDSUARHQ-NSHDSACASA-N -1 0 334.397 2.573 20 30 EFEDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121805460 472917936 /nfs/dbraw/zinc/91/79/36/472917936.db2.gz VTASIJHYODSXKD-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1F ZINC000121810801 472919381 /nfs/dbraw/zinc/91/93/81/472919381.db2.gz XEAPVQFPASQIJP-UHFFFAOYSA-N -1 0 340.355 2.723 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000121878429 472935151 /nfs/dbraw/zinc/93/51/51/472935151.db2.gz VESCQTVRPXPVKT-CQSZACIVSA-N -1 0 333.376 2.905 20 30 EFEDRM Cc1ccoc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394695 472946576 /nfs/dbraw/zinc/94/65/76/472946576.db2.gz OOWHSAIBBLOSNK-GFCCVEGCSA-N -1 0 334.339 2.589 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391526 472946650 /nfs/dbraw/zinc/94/66/50/472946650.db2.gz HAJJSYTZWVRQKU-OAHLLOKOSA-N -1 0 344.378 2.996 20 30 EFEDRM N#CC(=C([O-])c1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393200 472947303 /nfs/dbraw/zinc/94/73/03/472947303.db2.gz YEYMTHNIWGHIEO-GFCCVEGCSA-N -1 0 336.380 2.749 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)o1 ZINC000107531982 472962879 /nfs/dbraw/zinc/96/28/79/472962879.db2.gz JIJLKYXXNJQBFF-UHFFFAOYSA-N -1 0 348.380 2.668 20 30 EFEDRM N#Cc1nc(NC(=O)CCCOc2ccc3c(c2)CCCC3)[n-]c1C#N ZINC000134910562 472988115 /nfs/dbraw/zinc/98/81/15/472988115.db2.gz YVZMJYPARPRKKV-UHFFFAOYSA-N -1 0 349.394 2.830 20 30 EFEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)cc1 ZINC000135307210 473053847 /nfs/dbraw/zinc/05/38/47/473053847.db2.gz NFGCNUMXCLRXAQ-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)n(CCC#N)n1 ZINC000066247942 473063221 /nfs/dbraw/zinc/06/32/21/473063221.db2.gz MQSPTBUIZQUDJC-UHFFFAOYSA-N -1 0 332.429 2.831 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)nc1 ZINC000051953461 473074880 /nfs/dbraw/zinc/07/48/80/473074880.db2.gz KWBVOXZVCRTDAV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)n2)cc1 ZINC000066506460 473106705 /nfs/dbraw/zinc/10/67/05/473106705.db2.gz FPZWKQPXZIFZEQ-MRXNPFEDSA-N -1 0 347.378 2.778 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccccc3)nc2)[n-]c1C#N ZINC000052557274 473124324 /nfs/dbraw/zinc/12/43/24/473124324.db2.gz HLPDWTZEFRZBET-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000075104928 473125640 /nfs/dbraw/zinc/12/56/40/473125640.db2.gz BFPYWGINLCGDPS-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM Cc1cc(Cl)ncc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000136026080 473128099 /nfs/dbraw/zinc/12/80/99/473128099.db2.gz UKTAWTQYQJXRDT-UHFFFAOYSA-N -1 0 344.802 2.792 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000110122170 473144861 /nfs/dbraw/zinc/14/48/61/473144861.db2.gz AINBDGZLZAEMHK-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCc2ccccc2)c(F)c1 ZINC000123967995 473201873 /nfs/dbraw/zinc/20/18/73/473201873.db2.gz OAMGIFZIRAAVBN-UHFFFAOYSA-N -1 0 336.363 2.748 20 30 EFEDRM N#CCCN(Cc1ccco1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000162966606 473401480 /nfs/dbraw/zinc/40/14/80/473401480.db2.gz KYOGGOSMKVHCDT-UHFFFAOYSA-N -1 0 336.351 2.727 20 30 EFEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190895053 473422752 /nfs/dbraw/zinc/42/27/52/473422752.db2.gz LUXXYLLWXILUHZ-JBEBIEQOSA-N -1 0 335.388 2.857 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000190898608 473423054 /nfs/dbraw/zinc/42/30/54/473423054.db2.gz YGTHJCOZKGDMKD-CQSZACIVSA-N -1 0 340.346 2.701 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c1 ZINC000163223270 473423387 /nfs/dbraw/zinc/42/33/87/473423387.db2.gz NJFPBILXUACASX-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)cs1 ZINC000190909635 473426542 /nfs/dbraw/zinc/42/65/42/473426542.db2.gz BZKRTURBZROBAE-SNVBAGLBSA-N -1 0 337.364 2.535 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190968879 473442768 /nfs/dbraw/zinc/44/27/68/473442768.db2.gz ITBZKIGCGPPBRB-AWEZNQCLSA-N -1 0 331.331 2.906 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1C#N ZINC000151345007 473446621 /nfs/dbraw/zinc/44/66/21/473446621.db2.gz ZWAOHTZRECYFCE-YIFBXAAPSA-N -1 0 340.379 2.807 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C#N ZINC000185648102 473477019 /nfs/dbraw/zinc/47/70/19/473477019.db2.gz KYUUYCCVFGOXAH-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)s1 ZINC000185689479 473489496 /nfs/dbraw/zinc/48/94/96/473489496.db2.gz SWJCVPRXFGBGDI-UHFFFAOYSA-N -1 0 337.426 2.777 20 30 EFEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)nc3)c2)n1 ZINC000126835805 473550316 /nfs/dbraw/zinc/55/03/16/473550316.db2.gz ABKKKIWAWAINON-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n[nH]1 ZINC000126981755 473565477 /nfs/dbraw/zinc/56/54/77/473565477.db2.gz XKJILHMBFZGSCO-NSHDSACASA-N -1 0 326.404 2.515 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152644578 473585397 /nfs/dbraw/zinc/58/53/97/473585397.db2.gz GEWIGPDLDYZIRY-UHFFFAOYSA-N -1 0 335.385 2.751 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc2ccccc2o1 ZINC000172378868 473595806 /nfs/dbraw/zinc/59/58/06/473595806.db2.gz NOFZEQHAPLCWSR-LBPRGKRZSA-N -1 0 333.351 2.708 20 30 EFEDRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000170776836 473611255 /nfs/dbraw/zinc/61/12/55/473611255.db2.gz YAJJWZIVDWUNEM-UHFFFAOYSA-N -1 0 333.438 2.660 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179026749 473613865 /nfs/dbraw/zinc/61/38/65/473613865.db2.gz SNVVJDLBQROELM-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179026210 473614005 /nfs/dbraw/zinc/61/40/05/473614005.db2.gz VLXXBEGHDCPNKY-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179029293 473615617 /nfs/dbraw/zinc/61/56/17/473615617.db2.gz ZDILWIFQHNMPMG-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000192710692 473710991 /nfs/dbraw/zinc/71/09/91/473710991.db2.gz LYLVXRUKMHWWSH-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM C[C@]1(NC(=O)CSCc2ccc(C#N)cc2)CCCC[C@H]1C(=O)[O-] ZINC000262777703 473722146 /nfs/dbraw/zinc/72/21/46/473722146.db2.gz LXASGTZFVHDUQL-YJBOKZPZSA-N -1 0 346.452 2.941 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000179792930 473728052 /nfs/dbraw/zinc/72/80/52/473728052.db2.gz QRFGGGGEBXHEMT-LLVKDONJSA-N -1 0 328.409 2.672 20 30 EFEDRM N#CCC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263261153 473746481 /nfs/dbraw/zinc/74/64/81/473746481.db2.gz QJQNESVQDCVESY-GPANFISMSA-N -1 0 329.400 2.974 20 30 EFEDRM C=CCC1(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)[O-])CCC1 ZINC000263533709 473769737 /nfs/dbraw/zinc/76/97/37/473769737.db2.gz NPALXWJKHLEAFK-OAHLLOKOSA-N -1 0 331.412 2.801 20 30 EFEDRM N#C[C@]1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCc2ccccc2C1 ZINC000186910241 473780246 /nfs/dbraw/zinc/78/02/46/473780246.db2.gz XBRIWFDMAQTFLH-SFHVURJKSA-N -1 0 346.308 2.991 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1nccc(-c2cnn(C)c2)n1 ZINC000281613807 473784250 /nfs/dbraw/zinc/78/42/50/473784250.db2.gz BJBKALONBHHUQK-UHFFFAOYSA-N -1 0 337.449 2.589 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000186935304 473784887 /nfs/dbraw/zinc/78/48/87/473784887.db2.gz ADDIUIZCKNCPJH-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM C=CC[C@H](CC)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000281653260 473795555 /nfs/dbraw/zinc/79/55/55/473795555.db2.gz IGWKNZMETXVSCF-LBPRGKRZSA-N -1 0 331.441 2.546 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000186984018 473795630 /nfs/dbraw/zinc/79/56/30/473795630.db2.gz JYAQSPKIPVEBEV-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000281653254 473795849 /nfs/dbraw/zinc/79/58/49/473795849.db2.gz IGWKNZMETXVSCF-GFCCVEGCSA-N -1 0 331.441 2.546 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187016665 473801220 /nfs/dbraw/zinc/80/12/20/473801220.db2.gz DHXSUFMVFFTRGB-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000187076795 473814258 /nfs/dbraw/zinc/81/42/58/473814258.db2.gz USARYSJXBWCLHO-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000281754741 473827819 /nfs/dbraw/zinc/82/78/19/473827819.db2.gz KAFLXEDXUIMKGX-UCLAIMLFSA-N -1 0 331.412 2.516 20 30 EFEDRM C=CCSCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180226501 473833222 /nfs/dbraw/zinc/83/32/22/473833222.db2.gz NYJVBHJLOSZTME-UHFFFAOYSA-N -1 0 347.330 2.580 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1C1CCCC1 ZINC000194220692 473862137 /nfs/dbraw/zinc/86/21/37/473862137.db2.gz YBIBVKOVSHTPED-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F ZINC000288308048 473905004 /nfs/dbraw/zinc/90/50/04/473905004.db2.gz HHWAGZUEJMARJQ-UWTATZPHSA-N -1 0 343.195 2.611 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000187760898 473916483 /nfs/dbraw/zinc/91/64/83/473916483.db2.gz WPBHVSKDIZIGCI-UHFFFAOYSA-N -1 0 332.429 2.774 20 30 EFEDRM CC(C)Cn1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000180710319 473947460 /nfs/dbraw/zinc/94/74/60/473947460.db2.gz ODVLILSWUZUOER-VOTSOKGWSA-N -1 0 328.368 2.899 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000180789485 473966463 /nfs/dbraw/zinc/96/64/63/473966463.db2.gz VCNKGSLRDAZGAM-KZULUSFZSA-N -1 0 342.374 2.919 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1 ZINC000174003168 473971016 /nfs/dbraw/zinc/97/10/16/473971016.db2.gz YKOMSKFZHUFXJQ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1c(O)cccc1O ZINC000180836546 473975307 /nfs/dbraw/zinc/97/53/07/473975307.db2.gz BDNPTYXOLAEKLM-UHFFFAOYSA-N -1 0 328.393 2.633 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000181146387 474008578 /nfs/dbraw/zinc/00/85/78/474008578.db2.gz JTOYTJJGIMNUTP-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM CC(C)(C#N)CCCS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1 ZINC000195127398 474010357 /nfs/dbraw/zinc/01/03/57/474010357.db2.gz FKUNPOXUMLPIFH-UHFFFAOYSA-N -1 0 336.392 2.714 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccnn1C ZINC000264507164 474017186 /nfs/dbraw/zinc/01/71/86/474017186.db2.gz RRSPDTSUBCUZAP-NSHDSACASA-N -1 0 336.442 2.615 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000188250174 474033246 /nfs/dbraw/zinc/03/32/46/474033246.db2.gz XMBVJKFTWYDCGV-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CN(C)C(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1Cl ZINC000188299502 474050811 /nfs/dbraw/zinc/05/08/11/474050811.db2.gz NHWVLKYJEHUPHI-UHFFFAOYSA-N -1 0 343.770 2.871 20 30 EFEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1SCC#N ZINC000188318894 474057932 /nfs/dbraw/zinc/05/79/32/474057932.db2.gz JJEJFFKPOWEBAT-UHFFFAOYSA-N -1 0 330.394 2.897 20 30 EFEDRM C=C[C@@](C)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 ZINC000288950554 474101421 /nfs/dbraw/zinc/10/14/21/474101421.db2.gz PCGNCHJMLPYAGP-ZWKOTPCHSA-N -1 0 340.383 2.645 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000188594142 474136228 /nfs/dbraw/zinc/13/62/28/474136228.db2.gz SZWQGJJDVYHAGJ-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1nn(C)c(-n2cccn2)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000188719775 474176390 /nfs/dbraw/zinc/17/63/90/474176390.db2.gz WWBWVVDECRDJCY-LBPRGKRZSA-N -1 0 346.350 2.546 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000182773220 474253664 /nfs/dbraw/zinc/25/36/64/474253664.db2.gz YBVGRSKHKXMXKP-UHFFFAOYSA-N -1 0 334.397 2.613 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1C ZINC000270779883 474261570 /nfs/dbraw/zinc/26/15/70/474261570.db2.gz JGSOFVLNBILWEL-RMKNXTFCSA-N -1 0 328.368 2.741 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000182838569 474268882 /nfs/dbraw/zinc/26/88/82/474268882.db2.gz NIAICHHHFDZLCZ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM O=S(=O)([N-]CCCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000283073543 474293697 /nfs/dbraw/zinc/29/36/97/474293697.db2.gz UYXVZBSNQSZMSY-UHFFFAOYSA-N -1 0 339.232 2.864 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1C ZINC000271003294 474363363 /nfs/dbraw/zinc/36/33/63/474363363.db2.gz CBFIXVAJAHMFBN-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000183450120 474380708 /nfs/dbraw/zinc/38/07/08/474380708.db2.gz NSIPBKIFWNBUOZ-CHWSQXEVSA-N -1 0 329.381 2.504 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000237544788 474426039 /nfs/dbraw/zinc/42/60/39/474426039.db2.gz VKFJNBVXBBKQNQ-CYBMUJFWSA-N -1 0 330.384 2.619 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000276226885 474459453 /nfs/dbraw/zinc/45/94/53/474459453.db2.gz RNUUKPNDXVHYCB-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM C=CCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000276245028 474466835 /nfs/dbraw/zinc/46/68/35/474466835.db2.gz MNFFVDZBMTZQEQ-UHFFFAOYSA-N -1 0 336.335 2.596 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000176417249 474467917 /nfs/dbraw/zinc/46/79/17/474467917.db2.gz NVYVRKUTNSHJSU-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000189916787 474506149 /nfs/dbraw/zinc/50/61/49/474506149.db2.gz YSOQKYWGRJZRGT-QMMMGPOBSA-N -1 0 349.272 2.578 20 30 EFEDRM CCc1ccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+](C)C)cc1 ZINC000189923604 474507433 /nfs/dbraw/zinc/50/74/33/474507433.db2.gz YYBLDRCGXDVBLY-SFHVURJKSA-N -1 0 337.423 2.859 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1 ZINC000276946803 474574125 /nfs/dbraw/zinc/57/41/25/474574125.db2.gz WSZPLQKURBNFAA-AWEZNQCLSA-N -1 0 342.461 2.751 20 30 EFEDRM Cn1nc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C1CC1 ZINC000290531077 474576002 /nfs/dbraw/zinc/57/60/02/474576002.db2.gz NZXBJPRSIZMTLS-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM Cc1nnc(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000290589257 474578885 /nfs/dbraw/zinc/57/88/85/474578885.db2.gz QHKZMYNFDDNCGR-MKMNVTDBSA-N -1 0 326.765 2.775 20 30 EFEDRM C#CCO[N-]C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000291005311 474589651 /nfs/dbraw/zinc/58/96/51/474589651.db2.gz AAFOTCWFHUTVPF-HNNXBMFYSA-N -1 0 346.427 2.960 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277906135 474598116 /nfs/dbraw/zinc/59/81/16/474598116.db2.gz MENPOTMAMOLSOS-MRXNPFEDSA-N -1 0 340.427 2.749 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)CCC(=O)[O-])cc1OC ZINC000271938091 474598328 /nfs/dbraw/zinc/59/83/28/474598328.db2.gz PTQDMPDEVXASOY-XOVSCCBYSA-N -1 0 333.384 2.643 20 30 EFEDRM C#CCO[N-]C(=O)CSc1cc(C)c(Br)cc1C ZINC000291220713 474598435 /nfs/dbraw/zinc/59/84/35/474598435.db2.gz JKNSYKPIELTSBL-UHFFFAOYSA-N -1 0 328.231 2.839 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000184772818 474604178 /nfs/dbraw/zinc/60/41/78/474604178.db2.gz KPCOKVZHSWSBNJ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000184776766 474605603 /nfs/dbraw/zinc/60/56/03/474605603.db2.gz URWTXKUYSDIKLO-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000184797748 474609771 /nfs/dbraw/zinc/60/97/71/474609771.db2.gz YGYJXJNJGLVFDL-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1C ZINC000272445133 474611485 /nfs/dbraw/zinc/61/14/85/474611485.db2.gz LRXJWNXGMXUDNU-LLVKDONJSA-N -1 0 348.428 2.612 20 30 EFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000278444700 474645999 /nfs/dbraw/zinc/64/59/99/474645999.db2.gz WTEWPLNFLFMMKL-MFKMUULPSA-N -1 0 334.363 2.955 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)c(OC)cc1Cl ZINC000340805259 474678966 /nfs/dbraw/zinc/67/89/66/474678966.db2.gz WSKYQSKJSDNRCV-UHFFFAOYSA-N -1 0 342.760 2.623 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCc2[nH]c3c(cccc3C(=O)[O-])c2C1 ZINC000291835140 474710160 /nfs/dbraw/zinc/71/01/60/474710160.db2.gz GQDHWCBJYDEHBH-UHFFFAOYSA-N -1 0 348.424 2.520 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000291906410 474745883 /nfs/dbraw/zinc/74/58/83/474745883.db2.gz RKYLHTSNPZFMHG-UHFFFAOYSA-N -1 0 340.405 2.692 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C(C)(C)C(=O)OCC)cs1 ZINC000291933082 474759336 /nfs/dbraw/zinc/75/93/36/474759336.db2.gz WVNYNFWYYKDXFY-UHFFFAOYSA-N -1 0 346.474 2.692 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1C ZINC000344590765 474767713 /nfs/dbraw/zinc/76/77/13/474767713.db2.gz MQNDGMXQCNMQNB-LLVKDONJSA-N -1 0 339.376 2.911 20 30 EFEDRM CCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(F)(F)F ZINC000337195997 474773250 /nfs/dbraw/zinc/77/32/50/474773250.db2.gz WBWQUXFOJFEEKC-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1Br ZINC000311326297 474836741 /nfs/dbraw/zinc/83/67/41/474836741.db2.gz BAZCLSDNTSPMFX-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(C)(C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1cc(F)cc(C#N)c1 ZINC000285060276 474879106 /nfs/dbraw/zinc/87/91/06/474879106.db2.gz ILDVJKUNMZDIKU-UHFFFAOYSA-N -1 0 341.268 2.751 20 30 EFEDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000319625106 474902583 /nfs/dbraw/zinc/90/25/83/474902583.db2.gz CFTUSTXBUVZGFI-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)s1 ZINC000292243923 474920480 /nfs/dbraw/zinc/92/04/80/474920480.db2.gz COEYOXQSDLRNHO-UHFFFAOYSA-N -1 0 338.458 2.989 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000322864249 474942467 /nfs/dbraw/zinc/94/24/67/474942467.db2.gz NPSDLQCKVHOLAE-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1ccncn1 ZINC000345176240 474963909 /nfs/dbraw/zinc/96/39/09/474963909.db2.gz YVTKVWKIZJHYSW-NSHDSACASA-N -1 0 339.305 2.739 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])ccc1C#N ZINC000324361593 474967924 /nfs/dbraw/zinc/96/79/24/474967924.db2.gz GMQGIXAYIJBTAU-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000293416465 474969586 /nfs/dbraw/zinc/96/95/86/474969586.db2.gz UKVIAEZWPWAXFB-GFCCVEGCSA-N -1 0 335.429 2.725 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(=O)n1 ZINC000345197135 474982360 /nfs/dbraw/zinc/98/23/60/474982360.db2.gz WTXKPUUQKMBUQG-LBPRGKRZSA-N -1 0 337.166 2.792 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000345212890 474995743 /nfs/dbraw/zinc/99/57/43/474995743.db2.gz JENYFJHVGXVBTG-UHFFFAOYSA-N -1 0 348.428 2.925 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC3(C)CC3)cc2[n-]c1=S ZINC000279985621 475003195 /nfs/dbraw/zinc/00/31/95/475003195.db2.gz LOARXNLJODPEBU-UHFFFAOYSA-N -1 0 343.452 2.791 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326970112 475013650 /nfs/dbraw/zinc/01/36/50/475013650.db2.gz PUQQGVVLSJTWJI-ZDUSSCGKSA-N -1 0 338.363 2.981 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000345243297 475022926 /nfs/dbraw/zinc/02/29/26/475022926.db2.gz ZXJQZHWETHEHKF-UHFFFAOYSA-N -1 0 347.425 2.746 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnccc1N1CCCC1 ZINC000328594013 475035720 /nfs/dbraw/zinc/03/57/20/475035720.db2.gz ISTWTUPKHCCFQC-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000280691795 475044340 /nfs/dbraw/zinc/04/43/40/475044340.db2.gz FWOHHYAJBFEIFT-QMTHXVAHSA-N -1 0 333.812 2.739 20 30 EFEDRM C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000280781025 475048744 /nfs/dbraw/zinc/04/87/44/475048744.db2.gz ZVLPWTZUHYGWSB-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C(C)C)cc1OC ZINC000268886141 475051458 /nfs/dbraw/zinc/05/14/58/475051458.db2.gz FUPKMBJFZKWGTN-VQHVLOKHSA-N -1 0 347.411 2.985 20 30 EFEDRM C#CCO[C@@H](C)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000295353692 475121388 /nfs/dbraw/zinc/12/13/88/475121388.db2.gz QOKZAVUNDMCZIW-ZETCQYMHSA-N -1 0 332.581 2.785 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262028859 475150374 /nfs/dbraw/zinc/15/03/74/475150374.db2.gz AOLQGFBCAPMEGK-UHFFFAOYSA-N -1 0 327.764 2.725 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nc1 ZINC000345430329 475185982 /nfs/dbraw/zinc/18/59/82/475185982.db2.gz RIDAXSMAZTXUIE-ZDUSSCGKSA-N -1 0 348.362 2.933 20 30 EFEDRM CSc1nc(=NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)s[n-]1 ZINC000330126900 475201407 /nfs/dbraw/zinc/20/14/07/475201407.db2.gz MQTVKWCGTCQIET-JTQLQIEISA-N -1 0 342.490 2.890 20 30 EFEDRM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1csc(NC2CC2)n1 ZINC000330244404 475217321 /nfs/dbraw/zinc/21/73/21/475217321.db2.gz XFEAYJPENIKKMK-TZMCWYRMSA-N -1 0 331.445 2.824 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1 ZINC000361194475 475260427 /nfs/dbraw/zinc/26/04/27/475260427.db2.gz SPYRWCGMYUCQEV-SNVBAGLBSA-N -1 0 337.305 2.937 20 30 EFEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1 ZINC000361194474 475260730 /nfs/dbraw/zinc/26/07/30/475260730.db2.gz SPYRWCGMYUCQEV-JTQLQIEISA-N -1 0 337.305 2.937 20 30 EFEDRM Cn1cccc(N=C([O-])c2cnn(C(C)(C)C)c2C(F)(F)F)c1=O ZINC000330778086 475276372 /nfs/dbraw/zinc/27/63/72/475276372.db2.gz VCJRSUUCDKMUTO-UHFFFAOYSA-N -1 0 342.321 2.992 20 30 EFEDRM C=CCc1cc(CNC(=O)c2ccc(C(=O)[O-])o2)cc(OC)c1OC ZINC000347381434 475282312 /nfs/dbraw/zinc/28/23/12/475282312.db2.gz WEHHNNXIFJTTSU-UHFFFAOYSA-N -1 0 345.351 2.654 20 30 EFEDRM CSc1cccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1 ZINC000337759790 475302408 /nfs/dbraw/zinc/30/24/08/475302408.db2.gz JPJHRQCUVXHURB-UHFFFAOYSA-N -1 0 334.426 2.681 20 30 EFEDRM Cc1ccc(C)c(S([O-])=CC(=O)NCc2cccc(C#N)c2)c1 ZINC000341795343 475307786 /nfs/dbraw/zinc/30/77/86/475307786.db2.gz DKYJYOAKCYNUAQ-QHCPKHFHSA-N -1 0 326.421 2.599 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)s1 ZINC000331165978 475318612 /nfs/dbraw/zinc/31/86/12/475318612.db2.gz MOCAVVQTMNVHHC-AAEUAGOBSA-N -1 0 326.466 2.690 20 30 EFEDRM N#CCCn1ccc(N=C([O-])Nc2cc(-c3ccccc3)ns2)n1 ZINC000347544610 475323464 /nfs/dbraw/zinc/32/34/64/475323464.db2.gz KJERFOGVBYPHAN-UHFFFAOYSA-N -1 0 338.396 2.986 20 30 EFEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000347576637 475325494 /nfs/dbraw/zinc/32/54/94/475325494.db2.gz LDPAZHQOLNYNMW-NSHDSACASA-N -1 0 345.284 2.872 20 30 EFEDRM CCCN=c1[n-]nc(SCCCC2(C#N)CCOCC2)s1 ZINC000347648646 475329418 /nfs/dbraw/zinc/32/94/18/475329418.db2.gz IYAFZIHBHAENJX-UHFFFAOYSA-N -1 0 326.491 2.975 20 30 EFEDRM C=CCN1CC[C@@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1=O ZINC000331402115 475347201 /nfs/dbraw/zinc/34/72/01/475347201.db2.gz SOELGWLHARVRIC-GFCCVEGCSA-N -1 0 338.502 2.584 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1[n-]nc(CC)s1 ZINC000348051295 475370206 /nfs/dbraw/zinc/37/02/06/475370206.db2.gz DXFWVEQQANUBDM-UHFFFAOYSA-N -1 0 348.476 2.910 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2)n1 ZINC000345726255 475397252 /nfs/dbraw/zinc/39/72/52/475397252.db2.gz SYZHHVRUFWGELR-NSHDSACASA-N -1 0 332.385 2.587 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000345768421 475434387 /nfs/dbraw/zinc/43/43/87/475434387.db2.gz DNMXTHTWAUBZSF-QGZVFWFLSA-N -1 0 341.363 2.816 20 30 EFEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000358169500 475457220 /nfs/dbraw/zinc/45/72/20/475457220.db2.gz PVDCCUBDFFWIEA-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM COCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(C)(C)C ZINC000337960660 475462798 /nfs/dbraw/zinc/46/27/98/475462798.db2.gz YQFMZSZSXUXXBE-CQSZACIVSA-N -1 0 344.864 2.941 20 30 EFEDRM COCC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)C ZINC000337959814 475463674 /nfs/dbraw/zinc/46/36/74/475463674.db2.gz TWQLTCDCKMFOBJ-AWEZNQCLSA-N -1 0 344.864 2.941 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)o1 ZINC000352623331 475467891 /nfs/dbraw/zinc/46/78/91/475467891.db2.gz MIUKMIXJGZOKPI-OAHLLOKOSA-N -1 0 345.362 2.593 20 30 EFEDRM CCC(CC)c1n[n-]c(=NC(=O)N2CCC(F)(C#N)CC2)s1 ZINC000348196730 475478561 /nfs/dbraw/zinc/47/85/61/475478561.db2.gz IJJYSEKQNOUMIB-UHFFFAOYSA-N -1 0 325.413 2.723 20 30 EFEDRM C=C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000339788890 475504939 /nfs/dbraw/zinc/50/49/39/475504939.db2.gz RVGKEJVWBBHIOQ-LURJTMIESA-N -1 0 326.162 2.580 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000338028272 475521697 /nfs/dbraw/zinc/52/16/97/475521697.db2.gz LXYFJRKZLOTFCA-DGCLKSJQSA-N -1 0 330.413 2.693 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000346031465 475552966 /nfs/dbraw/zinc/55/29/66/475552966.db2.gz VOTYJVNOQJYQLH-SFHVURJKSA-N -1 0 347.374 2.660 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000342173259 475569063 /nfs/dbraw/zinc/56/90/63/475569063.db2.gz CHYTYKGHXVYJFP-CQSZACIVSA-N -1 0 343.427 2.616 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc12 ZINC000342366591 475589309 /nfs/dbraw/zinc/58/93/09/475589309.db2.gz JDTNOBAPWGFWOY-ZDUSSCGKSA-N -1 0 344.378 2.654 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000342379783 475591426 /nfs/dbraw/zinc/59/14/26/475591426.db2.gz RVQILAXCGDJNJT-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1CC(C)C ZINC000346497883 475613235 /nfs/dbraw/zinc/61/32/35/475613235.db2.gz ZZZVWARENGSAQM-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000339952271 475636460 /nfs/dbraw/zinc/63/64/60/475636460.db2.gz QIPAVVZUPICTCF-KZULUSFZSA-N -1 0 342.374 2.919 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000342855177 475649583 /nfs/dbraw/zinc/64/95/83/475649583.db2.gz VBMBKQUCUWBVPU-UHFFFAOYSA-N -1 0 331.372 2.731 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(Cl)c1 ZINC000358502934 475731126 /nfs/dbraw/zinc/73/11/26/475731126.db2.gz ZVEVSVJJROEMKR-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000358502831 475731261 /nfs/dbraw/zinc/73/12/61/475731261.db2.gz ZLFBNPQWWCDHIG-LLVKDONJSA-N -1 0 330.413 2.971 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1C ZINC000361782059 475746500 /nfs/dbraw/zinc/74/65/00/475746500.db2.gz QAQQNXRJQBEPIQ-UHFFFAOYSA-N -1 0 348.428 2.673 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000358621887 475816479 /nfs/dbraw/zinc/81/64/79/475816479.db2.gz CJVWIHPNRWNEDM-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)co1 ZINC000338581646 476026612 /nfs/dbraw/zinc/02/66/12/476026612.db2.gz IAGLWHSVOMJJCY-VIFPVBQESA-N -1 0 333.369 2.750 20 30 EFEDRM C[C@H](NC(=O)N=c1nc2cc(Cl)ccn2[n-]1)c1ccc(C#N)cc1 ZINC000353522285 476045133 /nfs/dbraw/zinc/04/51/33/476045133.db2.gz MCCHNOXEEGZHJQ-JTQLQIEISA-N -1 0 340.774 2.559 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2S[C@H](C)C(N)=O)n1 ZINC000338620817 476062381 /nfs/dbraw/zinc/06/23/81/476062381.db2.gz AFPKPQBCRPMLRK-ZYHUDNBSSA-N -1 0 345.449 2.908 20 30 EFEDRM CCc1oc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C(=O)OC ZINC000338627449 476063173 /nfs/dbraw/zinc/06/31/73/476063173.db2.gz WSCPPLAGBLCEKV-NSHDSACASA-N -1 0 337.335 2.995 20 30 EFEDRM Cc1c(NS(=O)(=O)c2ccccc2CC#N)cccc1C(=O)[O-] ZINC000355840993 476065757 /nfs/dbraw/zinc/06/57/57/476065757.db2.gz IFDDBAKFQFAOAR-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM C=C(CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)c1ccccc1 ZINC000350155829 476073070 /nfs/dbraw/zinc/07/30/70/476073070.db2.gz KZVOERRUDZUUPQ-UHFFFAOYSA-N -1 0 342.346 2.900 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)C(C)C)n2)cc1 ZINC000343678290 476102496 /nfs/dbraw/zinc/10/24/96/476102496.db2.gz UGLYAFUWTRNFBA-HNNXBMFYSA-N -1 0 326.400 2.979 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000302689903 476200967 /nfs/dbraw/zinc/20/09/67/476200967.db2.gz SGKUMIPMPHTSTC-MRVPVSSYSA-N -1 0 325.162 2.760 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1F ZINC000350518837 476228501 /nfs/dbraw/zinc/22/85/01/476228501.db2.gz WRVGBQUSBMOSJC-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM CSCCc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000357100976 476232888 /nfs/dbraw/zinc/23/28/88/476232888.db2.gz CCRCTKOCNHOZEF-UHFFFAOYSA-N -1 0 333.438 2.660 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3ccc(F)cc3)n2)c1C#N ZINC000357175068 476277198 /nfs/dbraw/zinc/27/71/98/476277198.db2.gz IOFQSCJBZKTXJI-UHFFFAOYSA-N -1 0 327.344 2.527 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Cl)cc2Br)c1C#N ZINC000357180576 476278948 /nfs/dbraw/zinc/27/89/48/476278948.db2.gz SIIAUEWNVOTXGJ-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM C=CCn1c([C@@H](C)Oc2ccc(F)cc2)n[n-]c1=Nc1cnn(C)c1 ZINC000350740517 476295820 /nfs/dbraw/zinc/29/58/20/476295820.db2.gz DGHDSADZYBPPBN-GFCCVEGCSA-N -1 0 342.378 2.642 20 30 EFEDRM Cc1nc(SCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C#N)c(C)c1C ZINC000362537210 476300658 /nfs/dbraw/zinc/30/06/58/476300658.db2.gz GHVNINAWAJAXTO-AWEZNQCLSA-N -1 0 349.456 2.586 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C#N ZINC000357263744 476308790 /nfs/dbraw/zinc/30/87/90/476308790.db2.gz ULNPKSNRDLHPLD-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1C ZINC000350920715 476314289 /nfs/dbraw/zinc/31/42/89/476314289.db2.gz RTTLADWUNSTOSZ-OCCSQVGLSA-N -1 0 340.431 2.971 20 30 EFEDRM C=CCn1c(Cc2ccccc2Cl)n[n-]c1=Nc1cnn(C)c1 ZINC000351075375 476331888 /nfs/dbraw/zinc/33/18/88/476331888.db2.gz PFWZSNYBGXCJTC-UHFFFAOYSA-N -1 0 328.807 2.607 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1Cl ZINC000357330909 476334051 /nfs/dbraw/zinc/33/40/51/476334051.db2.gz HZIWOHULNUJKLX-UHFFFAOYSA-N -1 0 348.771 2.594 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000357333873 476335369 /nfs/dbraw/zinc/33/53/69/476335369.db2.gz YFAUKKNHYVBHQE-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c(Cl)c1 ZINC000357352544 476343050 /nfs/dbraw/zinc/34/30/50/476343050.db2.gz DHMDBBMNLKMACN-UHFFFAOYSA-N -1 0 348.771 2.594 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc3cnccc32)n[nH]c1C1CC1 ZINC000362659121 476343855 /nfs/dbraw/zinc/34/38/55/476343855.db2.gz UVTGNMYPHLCWKR-UHFFFAOYSA-N -1 0 339.380 2.508 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)c2cccnc2c1C ZINC000357376876 476350408 /nfs/dbraw/zinc/35/04/08/476350408.db2.gz XETHLRKZAPRYLR-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc23)c1 ZINC000357379748 476350954 /nfs/dbraw/zinc/35/09/54/476350954.db2.gz BLMZOZYKRDVXQD-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM C=CCn1c(Cc2ccccc2F)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000351169965 476351584 /nfs/dbraw/zinc/35/15/84/476351584.db2.gz ROKUAIIUAOQPNJ-UHFFFAOYSA-N -1 0 326.379 2.699 20 30 EFEDRM Cc1cc2sc([N-]S(=O)(=O)c3cncc(C#N)c3)nc2cc1F ZINC000357386625 476353201 /nfs/dbraw/zinc/35/32/01/476353201.db2.gz KQRUSUCVBFTFHI-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1C#N ZINC000352189758 476535372 /nfs/dbraw/zinc/53/53/72/476535372.db2.gz IWCVCJOYTKEHPF-UHFFFAOYSA-N -1 0 348.315 2.680 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc(C#N)[nH]2)s1 ZINC000352243778 476581365 /nfs/dbraw/zinc/58/13/65/476581365.db2.gz HZGNNVNZRVQZFS-UHFFFAOYSA-N -1 0 327.344 2.527 20 30 EFEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000361127933 476621299 /nfs/dbraw/zinc/62/12/99/476621299.db2.gz BSOAQAAOLPBXMA-UHFFFAOYSA-N -1 0 331.353 2.635 20 30 EFEDRM COc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccncn2)cc1SC ZINC000354457280 476672847 /nfs/dbraw/zinc/67/28/47/476672847.db2.gz ALGZDLFJZIVAAK-JTQLQIEISA-N -1 0 344.352 2.605 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1Cc1ccccc1 ZINC000354460338 476674267 /nfs/dbraw/zinc/67/42/67/476674267.db2.gz FSIJSEHZTBIRSS-OAHLLOKOSA-N -1 0 331.379 2.774 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000452039662 476788177 /nfs/dbraw/zinc/78/81/77/476788177.db2.gz HRJJLVBJEGRYFD-UHFFFAOYSA-N -1 0 334.235 2.702 20 30 EFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3cccc(F)c3)o2)c1 ZINC000430325037 476811433 /nfs/dbraw/zinc/81/14/33/476811433.db2.gz VIAXYJNWQAJQIM-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM C=CCCOCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414069907 476862841 /nfs/dbraw/zinc/86/28/41/476862841.db2.gz CAIZPESEZZEHKF-QGZVFWFLSA-N -1 0 339.819 2.781 20 30 EFEDRM CNC(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430602229 476877790 /nfs/dbraw/zinc/87/77/90/476877790.db2.gz GOKDKGJQYKVERJ-NSHDSACASA-N -1 0 342.424 2.685 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000430669790 476896029 /nfs/dbraw/zinc/89/60/29/476896029.db2.gz LDKXVPALWPWIGM-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446756575 476916866 /nfs/dbraw/zinc/91/68/66/476916866.db2.gz KCCMPLSPZFUWST-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)ccc1C#N ZINC000446751980 476916896 /nfs/dbraw/zinc/91/68/96/476916896.db2.gz FSSZABOSHBPJJZ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cc(CN=c2[n-]nc(CCOc3ccccc3)o2)ccc1C#N ZINC000446945686 476935205 /nfs/dbraw/zinc/93/52/05/476935205.db2.gz IVIWHAVMEOKHQO-UHFFFAOYSA-N -1 0 334.379 2.905 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000430981724 476955615 /nfs/dbraw/zinc/95/56/15/476955615.db2.gz KNRCBILRZLCHFU-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000447155600 476959370 /nfs/dbraw/zinc/95/93/70/476959370.db2.gz GNCOAPIOXPDNLJ-JTQLQIEISA-N -1 0 329.805 2.767 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000447155593 476959439 /nfs/dbraw/zinc/95/94/39/476959439.db2.gz NCAPBTAYBWAZSH-GFCCVEGCSA-N -1 0 327.377 2.562 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc(OC)c1C ZINC000431159322 476987581 /nfs/dbraw/zinc/98/75/81/476987581.db2.gz OHWSETXDSCJDQD-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(C(C)(F)F)nc2)[n-]1 ZINC000410541338 477016626 /nfs/dbraw/zinc/01/66/26/477016626.db2.gz SEKJIGSRXPBQLP-UHFFFAOYSA-N -1 0 333.342 2.691 20 30 EFEDRM Cn1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1C1CCC1 ZINC000410537843 477017347 /nfs/dbraw/zinc/01/73/47/477017347.db2.gz IWJGOPRHNKPLFM-UHFFFAOYSA-N -1 0 325.416 2.790 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)C3(c4cccc(C#N)c4)CC3)[nH][n-]2)o1 ZINC000447803198 477060002 /nfs/dbraw/zinc/06/00/02/477060002.db2.gz QYNVAOZCPKIPSW-UHFFFAOYSA-N -1 0 332.363 2.942 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000431650599 477066746 /nfs/dbraw/zinc/06/67/46/477066746.db2.gz VLRJORWCIKAWNG-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](SCc2ccccc2)C(C)C)c1C#N ZINC000431691765 477077687 /nfs/dbraw/zinc/07/76/87/477077687.db2.gz NQUQFQUXXOOORL-OAHLLOKOSA-N -1 0 328.441 2.908 20 30 EFEDRM N#CCC1(CNC(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000432274583 477187346 /nfs/dbraw/zinc/18/73/46/477187346.db2.gz LQAHJIHNLDIKLA-ONEGZZNKSA-N -1 0 329.385 2.539 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)c1 ZINC000432571309 477234674 /nfs/dbraw/zinc/23/46/74/477234674.db2.gz GVDRJMMTECUAAN-CQSZACIVSA-N -1 0 349.419 2.880 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCC(C)(C)CC#N)n2)c1 ZINC000458041824 477279724 /nfs/dbraw/zinc/27/97/24/477279724.db2.gz MVHOJXICOXMYHN-UHFFFAOYSA-N -1 0 330.363 2.695 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416732594 477286382 /nfs/dbraw/zinc/28/63/82/477286382.db2.gz KSKCVDSFZNYRNG-CYBMUJFWSA-N -1 0 327.413 2.593 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)ccc1C#N ZINC000435719033 477356196 /nfs/dbraw/zinc/35/61/96/477356196.db2.gz HZDUTMDVFCQMCC-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM C=CC(C)(C)CNC(=O)N=c1[n-]nc(Cc2cccc(OC)c2)s1 ZINC000454744593 477358607 /nfs/dbraw/zinc/35/86/07/477358607.db2.gz NBGRTOBBPWMCPB-UHFFFAOYSA-N -1 0 346.456 2.893 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)ccc1C#N ZINC000435732134 477361203 /nfs/dbraw/zinc/36/12/03/477361203.db2.gz NKWTWJFIYSCTLH-LBPRGKRZSA-N -1 0 330.413 2.835 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)NC(C)C ZINC000416937039 477377829 /nfs/dbraw/zinc/37/78/29/477377829.db2.gz ILYQNBQWVLSSSQ-LLVKDONJSA-N -1 0 343.836 2.522 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000416941492 477380295 /nfs/dbraw/zinc/38/02/95/477380295.db2.gz QNGSYNMXTSCPPT-INIZCTEOSA-N -1 0 349.456 2.747 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(Br)c1O ZINC000416945885 477380798 /nfs/dbraw/zinc/38/07/98/477380798.db2.gz FIQVNOLHJGOMJL-QMMMGPOBSA-N -1 0 333.207 2.507 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2ccccc2Cl)n1 ZINC000416944221 477380892 /nfs/dbraw/zinc/38/08/92/477380892.db2.gz DDAGRNCFSSAPOG-NSHDSACASA-N -1 0 338.820 2.878 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000416946318 477381374 /nfs/dbraw/zinc/38/13/74/477381374.db2.gz ASKADHOCWSKSTH-NSHDSACASA-N -1 0 339.314 2.844 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000416946101 477381586 /nfs/dbraw/zinc/38/15/86/477381586.db2.gz WYTIYRZFIAUDPR-LBPRGKRZSA-N -1 0 337.426 2.766 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Br)c(F)c1 ZINC000416952551 477384468 /nfs/dbraw/zinc/38/44/68/477384468.db2.gz GWHAFRNXLDMLKT-VIFPVBQESA-N -1 0 335.198 2.941 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000416954513 477385607 /nfs/dbraw/zinc/38/56/07/477385607.db2.gz LLZGCSAYGRHVOV-HNNXBMFYSA-N -1 0 332.429 2.841 20 30 EFEDRM Cc1cc(Sc2n[n-]c(=NC3CC3)s2)c(C#N)cc1[N+](=O)[O-] ZINC000413026140 477475984 /nfs/dbraw/zinc/47/59/84/477475984.db2.gz ILIVLAPXUNSXNL-UHFFFAOYSA-N -1 0 333.398 2.774 20 30 EFEDRM CC(=O)c1ccc([O-])c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000436484339 477490250 /nfs/dbraw/zinc/49/02/50/477490250.db2.gz HONWAYZYNDTPFS-UHFFFAOYSA-N -1 0 346.346 2.904 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000436605428 477531011 /nfs/dbraw/zinc/53/10/11/477531011.db2.gz KRHJWCUOVGPQPQ-UHFFFAOYSA-N -1 0 344.392 2.966 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436632264 477538167 /nfs/dbraw/zinc/53/81/67/477538167.db2.gz WCRUHHVNISYSJW-UHFFFAOYSA-N -1 0 337.322 2.974 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436633592 477539270 /nfs/dbraw/zinc/53/92/70/477539270.db2.gz IKGIYQVNJQGNAT-UHFFFAOYSA-N -1 0 346.339 2.604 20 30 EFEDRM Cc1cc(=NC(=O)c2c([O-])cc(Cl)cc2Cl)[nH]n1CCC#N ZINC000436665286 477551375 /nfs/dbraw/zinc/55/13/75/477551375.db2.gz NIFZZYVYZGBKNK-UHFFFAOYSA-N -1 0 339.182 2.792 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436751136 477579813 /nfs/dbraw/zinc/57/98/13/477579813.db2.gz JDHSYQXBEUYFGL-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM N#CCCN(CCC#N)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436893241 477627001 /nfs/dbraw/zinc/62/70/01/477627001.db2.gz OSNZLTCGCMIADK-UHFFFAOYSA-N -1 0 340.152 2.563 20 30 EFEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccc1[N+](=O)[O-] ZINC000420269626 477655604 /nfs/dbraw/zinc/65/56/04/477655604.db2.gz ILPGGNMDSOSGGM-GFCCVEGCSA-N -1 0 326.312 2.662 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC000436980150 477656013 /nfs/dbraw/zinc/65/60/13/477656013.db2.gz OPEMVEWBEKJWDZ-ZDUSSCGKSA-N -1 0 331.715 2.948 20 30 EFEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000377176548 477679932 /nfs/dbraw/zinc/67/99/32/477679932.db2.gz RJFYEZBNFIYXRT-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM C=CCc1cc(CN=c2nc(CCOC)[n-]s2)cc(OC)c1OC ZINC000426529343 477715231 /nfs/dbraw/zinc/71/52/31/477715231.db2.gz ANRLNGNEBSNZFL-UHFFFAOYSA-N -1 0 349.456 2.507 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451007921 477789997 /nfs/dbraw/zinc/78/99/97/477789997.db2.gz KYLQEASQGSHANI-UHFFFAOYSA-N -1 0 340.792 2.713 20 30 EFEDRM N#CCCCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000372493883 477798564 /nfs/dbraw/zinc/79/85/64/477798564.db2.gz APRKKDUSSLAIEE-LLVKDONJSA-N -1 0 342.442 2.607 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000428045479 477811985 /nfs/dbraw/zinc/81/19/85/477811985.db2.gz YQCAUKSQWSNKTE-CYBMUJFWSA-N -1 0 327.384 2.767 20 30 EFEDRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451084873 477814483 /nfs/dbraw/zinc/81/44/83/477814483.db2.gz KPLGRDGZEGEWEO-UHFFFAOYSA-N -1 0 348.428 2.578 20 30 EFEDRM Cc1c(Cl)cncc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000459300039 477827827 /nfs/dbraw/zinc/82/78/27/477827827.db2.gz BRROCCXZNLENFC-NSHDSACASA-N -1 0 329.791 2.851 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451110886 477828942 /nfs/dbraw/zinc/82/89/42/477828942.db2.gz ZJCMLLLGHSLMII-SECBINFHSA-N -1 0 336.335 2.581 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000515534373 477838168 /nfs/dbraw/zinc/83/81/68/477838168.db2.gz UKIQZUSZDDKQCG-LBPRGKRZSA-N -1 0 328.315 2.871 20 30 EFEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)ccc2n1 ZINC000438755143 477881942 /nfs/dbraw/zinc/88/19/42/477881942.db2.gz FDLLFAGZVFRVGF-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM COCCN=c1[n-]nc(SCc2ccc(C#N)cc2Cl)s1 ZINC000438814998 477888060 /nfs/dbraw/zinc/88/80/60/477888060.db2.gz RVANHNBZXNWPCJ-UHFFFAOYSA-N -1 0 340.861 2.836 20 30 EFEDRM C=CCC1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCCCC1 ZINC000456374078 477895430 /nfs/dbraw/zinc/89/54/30/477895430.db2.gz WSYZJCPPCHVBTH-UHFFFAOYSA-N -1 0 342.399 2.753 20 30 EFEDRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000516185715 477903279 /nfs/dbraw/zinc/90/32/79/477903279.db2.gz KREXQATWEHFMQZ-LBPRGKRZSA-N -1 0 338.429 2.946 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000558672066 477913056 /nfs/dbraw/zinc/91/30/56/477913056.db2.gz VFXGRRXEZVAFMQ-LBPRGKRZSA-N -1 0 349.268 2.772 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000531907367 477914344 /nfs/dbraw/zinc/91/43/44/477914344.db2.gz HKYXRFXHRCJQBW-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000532066335 477918183 /nfs/dbraw/zinc/91/81/83/477918183.db2.gz CHCYOUBPVKJROJ-VIFPVBQESA-N -1 0 342.392 2.807 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cc(CC#N)ccn2)n1 ZINC000532437887 477927218 /nfs/dbraw/zinc/92/72/18/477927218.db2.gz LJHGZHKIMKVKJI-UHFFFAOYSA-N -1 0 347.378 2.854 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000559247171 477967367 /nfs/dbraw/zinc/96/73/67/477967367.db2.gz IRRULFHIQCTPQV-UHFFFAOYSA-N -1 0 349.456 2.604 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)[nH]1 ZINC000428882436 478001371 /nfs/dbraw/zinc/00/13/71/478001371.db2.gz NHQMPNSGONSLNS-UHFFFAOYSA-N -1 0 343.799 2.656 20 30 EFEDRM CCC[C@H](CCCCNS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000559797968 478001747 /nfs/dbraw/zinc/00/17/47/478001747.db2.gz VPWJUIKKFATLQI-CQSZACIVSA-N -1 0 344.477 2.661 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000439570012 478003987 /nfs/dbraw/zinc/00/39/87/478003987.db2.gz LVEQGEGDPLATBG-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000439622753 478008120 /nfs/dbraw/zinc/00/81/20/478008120.db2.gz FSOQNHJZSPRXTM-UHFFFAOYSA-N -1 0 343.408 2.993 20 30 EFEDRM CC(C)(C)CC[C@@](C)(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000560077508 478018082 /nfs/dbraw/zinc/01/80/82/478018082.db2.gz GIKVQIHTOZTOHF-MRXNPFEDSA-N -1 0 338.429 2.506 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481567778 478026529 /nfs/dbraw/zinc/02/65/29/478026529.db2.gz BCBORADWYVXZAK-VIFPVBQESA-N -1 0 335.820 2.904 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCC(C)(C)C#N)s1 ZINC000483890616 478029635 /nfs/dbraw/zinc/02/96/35/478029635.db2.gz YQTAILXHDNIYRL-UHFFFAOYSA-N -1 0 333.392 2.746 20 30 EFEDRM C=C(C)C[NH+]1CCC(N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486967124 478032011 /nfs/dbraw/zinc/03/20/11/478032011.db2.gz MMPLQBSZTBPWNW-UHFFFAOYSA-N -1 0 343.387 2.519 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@](CC)(COC)C(=O)[O-])c1 ZINC000517307965 478078279 /nfs/dbraw/zinc/07/82/79/478078279.db2.gz IYNUIRAJCZPOEW-KRWDZBQOSA-N -1 0 336.388 2.643 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1SCCc2ccccc21)C(=O)[O-] ZINC000560487610 478093433 /nfs/dbraw/zinc/09/34/33/478093433.db2.gz LAWUZTRNHFYHSY-GJZGRUSLSA-N -1 0 334.441 2.736 20 30 EFEDRM N#CCCn1ncc(C([O-])=C(C#N)c2ccncn2)c1-c1ccccc1 ZINC000429277494 478097632 /nfs/dbraw/zinc/09/76/32/478097632.db2.gz GVNACKBWBWSWDD-HNNXBMFYSA-N -1 0 342.362 2.744 20 30 EFEDRM N#CCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000440316281 478103420 /nfs/dbraw/zinc/10/34/20/478103420.db2.gz VLGIEVUAMKBCPH-INIZCTEOSA-N -1 0 348.362 2.805 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(F)F)n1 ZINC000517649020 478110603 /nfs/dbraw/zinc/11/06/03/478110603.db2.gz PMITXIANXCQNJU-SECBINFHSA-N -1 0 327.294 2.791 20 30 EFEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)ccc1-n1cccn1 ZINC000421500044 478111304 /nfs/dbraw/zinc/11/13/04/478111304.db2.gz KCRJMEJOPBAFFK-UHFFFAOYSA-N -1 0 348.410 2.678 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000517700329 478114066 /nfs/dbraw/zinc/11/40/66/478114066.db2.gz CJFRYICXZFWFGG-DGCLKSJQSA-N -1 0 335.360 2.683 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc12 ZINC000440810035 478164988 /nfs/dbraw/zinc/16/49/88/478164988.db2.gz VCVSGZWCYAIDBF-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000440831204 478166849 /nfs/dbraw/zinc/16/68/49/478166849.db2.gz IIJKRRGBWFYYFW-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000488835370 478189524 /nfs/dbraw/zinc/18/95/24/478189524.db2.gz IFXJNJCBRPEHBM-UHFFFAOYSA-N -1 0 340.408 2.875 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C ZINC000518885842 478197431 /nfs/dbraw/zinc/19/74/31/478197431.db2.gz BAEOLPSPAXEFRX-OGHNNQOOSA-N -1 0 326.437 2.689 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n(CCC#N)n1 ZINC000535137503 478201160 /nfs/dbraw/zinc/20/11/60/478201160.db2.gz KEXCZCCFKJYZGD-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM COC(=O)N1CCC[C@H]([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000495475112 478204904 /nfs/dbraw/zinc/20/49/04/478204904.db2.gz WBNXGFYQMZKWLM-KMFCOABJSA-N -1 0 335.360 2.586 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@](C)(CN=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000495486082 478206541 /nfs/dbraw/zinc/20/65/41/478206541.db2.gz DUQHYZRZEHSIDI-KRWDZBQOSA-N -1 0 348.403 2.825 20 30 EFEDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000495546410 478225885 /nfs/dbraw/zinc/22/58/85/478225885.db2.gz ZZESJOTUCUULKS-UHFFFAOYSA-N -1 0 349.343 2.676 20 30 EFEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)(C)CCC#N ZINC000489864859 478279580 /nfs/dbraw/zinc/27/95/80/478279580.db2.gz VHPAZYZTHVIJCF-UHFFFAOYSA-N -1 0 337.445 2.508 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)n(CCC#N)n1 ZINC000537262888 478294258 /nfs/dbraw/zinc/29/42/58/478294258.db2.gz CYXHNSYAKREVRM-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1cc(C(F)(F)F)ccn1 ZINC000520301511 478294787 /nfs/dbraw/zinc/29/47/87/478294787.db2.gz BEDGSTHVKYIRNT-SNVBAGLBSA-N -1 0 336.273 2.569 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000562648231 478297123 /nfs/dbraw/zinc/29/71/23/478297123.db2.gz OISZCFHCRUDBII-MRXNPFEDSA-N -1 0 329.400 2.819 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC1(c2ccccc2OC)CCC1)C(=O)[O-] ZINC000570258079 478318557 /nfs/dbraw/zinc/31/85/57/478318557.db2.gz DCKODNYXFKBNNJ-OAHLLOKOSA-N -1 0 346.427 2.836 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)OCC ZINC000562730541 478333280 /nfs/dbraw/zinc/33/32/80/478333280.db2.gz NREPPLFTSHIQLD-CYBMUJFWSA-N -1 0 337.397 2.609 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)[n-]1 ZINC000570341616 478339273 /nfs/dbraw/zinc/33/92/73/478339273.db2.gz LQKKUVUBUAZTSU-OAHLLOKOSA-N -1 0 345.834 2.652 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1COC(C)C)C(=O)[O-] ZINC000579922707 478349687 /nfs/dbraw/zinc/34/96/87/478349687.db2.gz OPZUGDTZAOVZNM-INIZCTEOSA-N -1 0 334.416 2.830 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1COC(C)C)C(=O)[O-] ZINC000579922708 478350115 /nfs/dbraw/zinc/35/01/15/478350115.db2.gz OPZUGDTZAOVZNM-MRXNPFEDSA-N -1 0 334.416 2.830 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)[n-]1 ZINC000590819487 478355044 /nfs/dbraw/zinc/35/50/44/478355044.db2.gz LISGQKBHXSJMBZ-AWEZNQCLSA-N -1 0 347.781 2.779 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000580272713 478357355 /nfs/dbraw/zinc/35/73/55/478357355.db2.gz PVANYDPEYURPAW-INIZCTEOSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000581235380 478376344 /nfs/dbraw/zinc/37/63/44/478376344.db2.gz JXRBVPHYWKSAFP-IKGGRYGDSA-N -1 0 346.427 2.873 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000581308435 478376930 /nfs/dbraw/zinc/37/69/30/478376930.db2.gz NXWOCHYCODFVDQ-CYBMUJFWSA-N -1 0 349.811 2.881 20 30 EFEDRM N#CCC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000597497225 478380746 /nfs/dbraw/zinc/38/07/46/478380746.db2.gz CWEBLEZCAXVRIT-UHFFFAOYSA-N -1 0 344.802 2.997 20 30 EFEDRM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc(-c2ccccc2)cs1 ZINC000525860026 478397195 /nfs/dbraw/zinc/39/71/95/478397195.db2.gz KSPBUOUPBQRCJW-LBPRGKRZSA-N -1 0 346.375 2.966 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000562974505 478399406 /nfs/dbraw/zinc/39/94/06/478399406.db2.gz LPTBJSILKYNCNC-LBPRGKRZSA-N -1 0 326.343 2.916 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000490922961 478405235 /nfs/dbraw/zinc/40/52/35/478405235.db2.gz HRGFRPPWMZBWRV-UHFFFAOYSA-N -1 0 325.339 2.728 20 30 EFEDRM CC(C)(C)OC(=O)N1CC(CN=Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000495919483 478410436 /nfs/dbraw/zinc/41/04/36/478410436.db2.gz CUOSQFBBWRAGNH-UHFFFAOYSA-N -1 0 337.351 2.789 20 30 EFEDRM CC(C)(CC#N)CNC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000590949428 478412583 /nfs/dbraw/zinc/41/25/83/478412583.db2.gz HXSADMAXTPDFMK-UHFFFAOYSA-N -1 0 329.429 2.612 20 30 EFEDRM C[C@H](NC(=O)NCC1CCC(C#N)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594528528 478426313 /nfs/dbraw/zinc/42/63/13/478426313.db2.gz LYJVGZFQRMZRLR-HKKVPVCXSA-N -1 0 335.448 2.751 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000594534392 478428164 /nfs/dbraw/zinc/42/81/64/478428164.db2.gz FUKSEUADAHPMIO-MRXNPFEDSA-N -1 0 329.400 2.613 20 30 EFEDRM CC(C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000594535857 478428294 /nfs/dbraw/zinc/42/82/94/478428294.db2.gz HBWMMSSRJSUDPN-INIZCTEOSA-N -1 0 329.400 2.589 20 30 EFEDRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000594537763 478428896 /nfs/dbraw/zinc/42/88/96/478428896.db2.gz LYIGSTFODNXNJF-IKGGRYGDSA-N -1 0 343.427 2.825 20 30 EFEDRM CC(C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)C(=O)[O-] ZINC000594540197 478429405 /nfs/dbraw/zinc/42/94/05/478429405.db2.gz DWQGHFSTWZRZCX-SNVBAGLBSA-N -1 0 337.301 2.714 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NC[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC000594541709 478430568 /nfs/dbraw/zinc/43/05/68/478430568.db2.gz XOCLKDAFHSLSAR-CQSZACIVSA-N -1 0 343.383 2.892 20 30 EFEDRM C#CCN(CC)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000491045489 478432129 /nfs/dbraw/zinc/43/21/29/478432129.db2.gz LMFDKWARQVEYFY-UHFFFAOYSA-N -1 0 338.795 2.907 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1cc(C(F)(F)F)ccn1 ZINC000527602181 478441399 /nfs/dbraw/zinc/44/13/99/478441399.db2.gz UHLQKQYYTQQGJP-SECBINFHSA-N -1 0 337.257 2.651 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(Br)cc2[O-])n(CCC#N)n1 ZINC000539842968 478444849 /nfs/dbraw/zinc/44/48/49/478444849.db2.gz OSQBQOKSYFPIKS-UHFFFAOYSA-N -1 0 349.188 2.826 20 30 EFEDRM CCOc1ccc(C[C@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1 ZINC000591080422 478454200 /nfs/dbraw/zinc/45/42/00/478454200.db2.gz YFNJDDIMOGRJEQ-LBPRGKRZSA-N -1 0 338.411 2.797 20 30 EFEDRM CCCN(C)c1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000600669243 478460703 /nfs/dbraw/zinc/46/07/03/478460703.db2.gz KAJSXYCPOMCUSI-UHFFFAOYSA-N -1 0 330.413 2.600 20 30 EFEDRM Cc1nc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1C#N ZINC000600673930 478462087 /nfs/dbraw/zinc/46/20/87/478462087.db2.gz BWRRXNXMBGPYBZ-ZDUSSCGKSA-N -1 0 336.395 2.675 20 30 EFEDRM N#Cc1ccc(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000594683464 478491603 /nfs/dbraw/zinc/49/16/03/478491603.db2.gz AAZFBHGYBNXFQL-UHFFFAOYSA-N -1 0 329.400 2.578 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000540785202 478491743 /nfs/dbraw/zinc/49/17/43/478491743.db2.gz XBMAJCZXZMJVRC-UHFFFAOYSA-N -1 0 346.452 2.895 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000594688102 478495598 /nfs/dbraw/zinc/49/55/98/478495598.db2.gz VXVWMPBTOSTEMG-IKGGRYGDSA-N -1 0 341.411 2.528 20 30 EFEDRM N#CC1(CNC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000594690624 478496270 /nfs/dbraw/zinc/49/62/70/478496270.db2.gz MEGFIFNSSLKSIF-ILXRZTDVSA-N -1 0 333.432 2.888 20 30 EFEDRM N#CC1(CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CCCCC1 ZINC000594691504 478496562 /nfs/dbraw/zinc/49/65/62/478496562.db2.gz UWGKPBNQGMHBLF-CQSZACIVSA-N -1 0 333.363 2.725 20 30 EFEDRM CCC1CCC(NC(=O)NCCc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC000594691166 478496695 /nfs/dbraw/zinc/49/66/95/478496695.db2.gz QQWSUSKEVIUGMW-UHFFFAOYSA-N -1 0 343.427 2.824 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CCCCC1 ZINC000594691469 478496782 /nfs/dbraw/zinc/49/67/82/478496782.db2.gz UHLGDINDSIIIOK-INIZCTEOSA-N -1 0 341.411 2.854 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1 ZINC000594719961 478512434 /nfs/dbraw/zinc/51/24/34/478512434.db2.gz AJFWRYXATQDQKP-SNVBAGLBSA-N -1 0 334.401 2.568 20 30 EFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCCC(=O)[O-] ZINC000591326894 478523517 /nfs/dbraw/zinc/52/35/17/478523517.db2.gz HLQOTZIIVRFNCF-UHFFFAOYSA-N -1 0 335.310 2.797 20 30 EFEDRM C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[C@H]1C(=O)[O-] ZINC000600801437 478527097 /nfs/dbraw/zinc/52/70/97/478527097.db2.gz QDJHLGYFZCHZDO-GXFFZTMASA-N -1 0 340.339 2.562 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)[n-]1 ZINC000591338103 478527766 /nfs/dbraw/zinc/52/77/66/478527766.db2.gz GBFORBCPZOIOQV-IUODEOHRSA-N -1 0 343.818 2.825 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496117563 478548045 /nfs/dbraw/zinc/54/80/45/478548045.db2.gz AHSVLTSARINUKT-IACUBPJLSA-N -1 0 336.388 2.872 20 30 EFEDRM C=CCCSCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000594815423 478549678 /nfs/dbraw/zinc/54/96/78/478549678.db2.gz TTYVLXBACZHZHU-UHFFFAOYSA-N -1 0 325.377 2.692 20 30 EFEDRM C=C(C)Cn1c([C@]2(C)CCCO2)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000563416359 478553084 /nfs/dbraw/zinc/55/30/84/478553084.db2.gz IMUHNTAMODYQTP-KRWDZBQOSA-N -1 0 330.436 2.823 20 30 EFEDRM C#C[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000491461040 478554774 /nfs/dbraw/zinc/55/47/74/478554774.db2.gz CAVFYKGMNZBMPW-CYBMUJFWSA-N -1 0 348.449 2.691 20 30 EFEDRM C=C(C)CS(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000571288977 478562981 /nfs/dbraw/zinc/56/29/81/478562981.db2.gz LLSZXHQPDKESJL-RDJZCZTQSA-N -1 0 337.441 2.534 20 30 EFEDRM CC(C)c1nc(=N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s[n-]1 ZINC000541869236 478602357 /nfs/dbraw/zinc/60/23/57/478602357.db2.gz QRQDSUJSONLKLH-AWEZNQCLSA-N -1 0 341.440 2.563 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000582481913 478607783 /nfs/dbraw/zinc/60/77/83/478607783.db2.gz LSJPTVNLOCSESW-KRWDZBQOSA-N -1 0 347.436 2.721 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496236275 478629888 /nfs/dbraw/zinc/62/98/88/478629888.db2.gz VMFSWDORCWQEMK-NSHDSACASA-N -1 0 349.387 2.594 20 30 EFEDRM COc1ccc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)cc1OCCCC#N ZINC000601064455 478636696 /nfs/dbraw/zinc/63/66/96/478636696.db2.gz NJPPMHWERXLAIZ-JSGCOSHPSA-N -1 0 342.399 2.918 20 30 EFEDRM C#CCN(C)c1cnc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cn1 ZINC000491700134 478638839 /nfs/dbraw/zinc/63/88/39/478638839.db2.gz OJPBFJXTWGNHPF-UHFFFAOYSA-N -1 0 341.758 2.622 20 30 EFEDRM COCCN=c1[n-]nc(S[C@H](C#N)CCc2ccccc2)s1 ZINC000601070801 478641455 /nfs/dbraw/zinc/64/14/55/478641455.db2.gz SEYDCOQXIPFQBA-ZDUSSCGKSA-N -1 0 334.470 2.635 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc1OC ZINC000571685897 478655126 /nfs/dbraw/zinc/65/51/26/478655126.db2.gz QGTGBHPHFPVTGR-JSGCOSHPSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nc(C)cc(C(F)(F)F)n2)s1 ZINC000542508782 478658241 /nfs/dbraw/zinc/65/82/41/478658241.db2.gz RKYSKOOTQORAQX-UHFFFAOYSA-N -1 0 333.364 2.826 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496443161 478658975 /nfs/dbraw/zinc/65/89/75/478658975.db2.gz WWFWNSFMGBQSHQ-UHFFFAOYSA-N -1 0 349.387 2.596 20 30 EFEDRM C[C@@H](C=NN=c1[n-]ncc2ccccc21)CNC(=O)OC(C)(C)C ZINC000496543632 478668747 /nfs/dbraw/zinc/66/87/47/478668747.db2.gz AJALELVNTKFECA-GFCCVEGCSA-N -1 0 329.404 2.610 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000496546116 478668899 /nfs/dbraw/zinc/66/88/99/478668899.db2.gz GEYABSRBSRJLSW-CHROMADKSA-N -1 0 335.360 2.729 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000582760768 478675060 /nfs/dbraw/zinc/67/50/60/478675060.db2.gz MXUVXAHRGQOKKB-UHFFFAOYSA-N -1 0 348.355 2.646 20 30 EFEDRM C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000542758521 478680613 /nfs/dbraw/zinc/68/06/13/478680613.db2.gz DIGHUKMSPIZFFD-NSHDSACASA-N -1 0 336.363 2.918 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]OC1CCCC1 ZINC000496682414 478683166 /nfs/dbraw/zinc/68/31/66/478683166.db2.gz SWCXTPMWKNUCRP-ZDUSSCGKSA-N -1 0 325.409 2.564 20 30 EFEDRM C=C(C)CO[N-]C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496804494 478696408 /nfs/dbraw/zinc/69/64/08/478696408.db2.gz QGZCLBBTXPRWON-UHFFFAOYSA-N -1 0 344.477 2.743 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000564184755 478703898 /nfs/dbraw/zinc/70/38/98/478703898.db2.gz LOGNZEXGVYYPBS-CYBMUJFWSA-N -1 0 338.415 2.582 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000564184756 478704090 /nfs/dbraw/zinc/70/40/90/478704090.db2.gz LOGNZEXGVYYPBS-ZDUSSCGKSA-N -1 0 338.415 2.582 20 30 EFEDRM COCc1csc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000598207223 478704264 /nfs/dbraw/zinc/70/42/64/478704264.db2.gz OUGFWACJTANROX-UHFFFAOYSA-N -1 0 349.437 2.519 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)CC(=O)[O-] ZINC000595261105 478706284 /nfs/dbraw/zinc/70/62/84/478706284.db2.gz LKEXXSYKHUPFFY-INIZCTEOSA-N -1 0 331.416 2.837 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1Cl ZINC000595264146 478707553 /nfs/dbraw/zinc/70/75/53/478707553.db2.gz ZITMNMBGQFMHJL-UHFFFAOYSA-N -1 0 349.818 2.998 20 30 EFEDRM N#CCCC[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000595263796 478707899 /nfs/dbraw/zinc/70/78/99/478707899.db2.gz TZGCTMWHZWFQNE-HNNXBMFYSA-N -1 0 329.400 2.976 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@H](C=NN=c2[n-]ncc3ccccc32)C1 ZINC000496913492 478709143 /nfs/dbraw/zinc/70/91/43/478709143.db2.gz ZABWRJXXWKIRRI-CYBMUJFWSA-N -1 0 341.415 2.706 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H](C=NN=c2[n-]ncc3ccccc32)C1 ZINC000496913493 478709218 /nfs/dbraw/zinc/70/92/18/478709218.db2.gz ZABWRJXXWKIRRI-ZDUSSCGKSA-N -1 0 341.415 2.706 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497020104 478719407 /nfs/dbraw/zinc/71/94/07/478719407.db2.gz UHAQKCAGRZRUIB-ZFWWWQNUSA-N -1 0 334.416 2.917 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NN=c1ccc(Cl)n[n-]1 ZINC000491899169 478729033 /nfs/dbraw/zinc/72/90/33/478729033.db2.gz UYMHMPWYJKZEAC-JTQLQIEISA-N -1 0 339.827 2.645 20 30 EFEDRM C=CCC1(CNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])CCCC1 ZINC000583087359 478761689 /nfs/dbraw/zinc/76/16/89/478761689.db2.gz RXARUMAZMVMCBA-UHFFFAOYSA-N -1 0 338.429 2.581 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000564624089 478770035 /nfs/dbraw/zinc/77/00/35/478770035.db2.gz LMCICMXGBLMMKN-UHFFFAOYSA-N -1 0 337.382 2.891 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000583176497 478780085 /nfs/dbraw/zinc/78/00/85/478780085.db2.gz MDMUIIRHILQWOP-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000583261608 478806009 /nfs/dbraw/zinc/80/60/09/478806009.db2.gz WVIRCACGTXAFFP-DZGCQCFKSA-N -1 0 332.400 2.504 20 30 EFEDRM CO[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)C1CCCCC1 ZINC000598437415 478823972 /nfs/dbraw/zinc/82/39/72/478823972.db2.gz JWLUTVCKTHBYDB-CQSZACIVSA-N -1 0 349.456 2.706 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000492141548 478845652 /nfs/dbraw/zinc/84/56/52/478845652.db2.gz SFCKYSOCKPKJGQ-QJSCKGPTSA-N -1 0 345.395 2.596 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC1CCC(C(C)(C)CC)CC1)C(=O)[O-] ZINC000583542487 478873486 /nfs/dbraw/zinc/87/34/86/478873486.db2.gz DNWNDQFRTLIIOM-NRXISQOPSA-N -1 0 340.464 2.936 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000572601134 478876516 /nfs/dbraw/zinc/87/65/16/478876516.db2.gz QLXRVNWDJKXJKE-PBHICJAKSA-N -1 0 346.427 2.834 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000583553986 478877852 /nfs/dbraw/zinc/87/78/52/478877852.db2.gz VBYVRLZSLRGUBZ-CQSZACIVSA-N -1 0 338.820 2.629 20 30 EFEDRM C=CCn1c(Cc2ccc(F)cc2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000572612471 478882069 /nfs/dbraw/zinc/88/20/69/478882069.db2.gz QRKKGNFJEHBBCS-UHFFFAOYSA-N -1 0 340.406 2.710 20 30 EFEDRM COc1ccc2ncc(C#N)c(NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000592420581 478890832 /nfs/dbraw/zinc/89/08/32/478890832.db2.gz DOXIUWGTPPTWMX-UHFFFAOYSA-N -1 0 325.368 2.592 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000506196034 478893375 /nfs/dbraw/zinc/89/33/75/478893375.db2.gz VNPDEGUSNYGHFB-UHFFFAOYSA-N -1 0 347.392 2.780 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000592465672 478904978 /nfs/dbraw/zinc/90/49/78/478904978.db2.gz BGBJDVOQKXYHSA-UHFFFAOYSA-N -1 0 332.404 2.833 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cccc2ccccc12 ZINC000492346827 478942603 /nfs/dbraw/zinc/94/26/03/478942603.db2.gz VLMJSNKKRLONMO-KHPPLWFESA-N -1 0 328.393 2.603 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(c3ccc(F)cc3)CCCCC2)c1C#N ZINC000601681062 478948385 /nfs/dbraw/zinc/94/83/85/478948385.db2.gz XTWTTYAJRSNBNX-UHFFFAOYSA-N -1 0 326.375 2.991 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc3c(cn2)CCC3)cc1C#N ZINC000583831908 478952059 /nfs/dbraw/zinc/95/20/59/478952059.db2.gz KCPNLFCXNOITTR-UHFFFAOYSA-N -1 0 326.381 2.517 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000573064415 478980738 /nfs/dbraw/zinc/98/07/38/478980738.db2.gz RHSIZYIVPQJQDH-NSHDSACASA-N -1 0 333.171 2.771 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000573065588 478981315 /nfs/dbraw/zinc/98/13/15/478981315.db2.gz MWFHAEADBNQGLM-RHSMWYFYSA-N -1 0 348.443 2.696 20 30 EFEDRM C[C@@H](c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1)c1ccccc1 ZINC000528917500 478984940 /nfs/dbraw/zinc/98/49/40/478984940.db2.gz UONJRUNMVYQOBS-HIFRSBDPSA-N -1 0 336.395 2.506 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000528978465 479008042 /nfs/dbraw/zinc/00/80/42/479008042.db2.gz MOBCLGZJBLAYLF-UHFFFAOYSA-N -1 0 338.429 2.609 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)c2ccc(C#N)c(Cl)c2)s[n-]1 ZINC000601795827 479009681 /nfs/dbraw/zinc/00/96/81/479009681.db2.gz MFJIIGRLPUYINM-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](CC2CC2)C(=O)[O-])cc1OC ZINC000492799947 479019306 /nfs/dbraw/zinc/01/93/06/479019306.db2.gz NSJXSJORBAZJRU-LOWQCSRCSA-N -1 0 345.395 2.643 20 30 EFEDRM CCC(CC)(CNC(=O)/C=C\c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000492884970 479024080 /nfs/dbraw/zinc/02/40/80/479024080.db2.gz CPQUNDHHKBQRKG-YFHOEESVSA-N -1 0 330.384 2.609 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000492891237 479025019 /nfs/dbraw/zinc/02/50/19/479025019.db2.gz KBEUXOLHVXGICA-MEMKZHQFSA-N -1 0 342.395 2.706 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000493093745 479034110 /nfs/dbraw/zinc/03/41/10/479034110.db2.gz PHKIQEPKDBUTJO-MDZDMXLPSA-N -1 0 340.404 2.526 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCc3cc(F)ccc32)[n-]1 ZINC000598816791 479037061 /nfs/dbraw/zinc/03/70/61/479037061.db2.gz AQDAZZRTYQUYRZ-HNNXBMFYSA-N -1 0 326.375 2.739 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000493610983 479080346 /nfs/dbraw/zinc/08/03/46/479080346.db2.gz BDEICQMWBHKAQA-VIHMKRCTSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000566087201 479084356 /nfs/dbraw/zinc/08/43/56/479084356.db2.gz HEWBQUHNDHLKOP-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM Cc1[n-]n([C@@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CCC#N ZINC000601946190 479086267 /nfs/dbraw/zinc/08/62/67/479086267.db2.gz OAVWAMZUIYLKDQ-SWLSCSKDSA-N -1 0 327.384 2.874 20 30 EFEDRM C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1C(=O)[O-] ZINC000595974356 479086590 /nfs/dbraw/zinc/08/65/90/479086590.db2.gz UOKYDQADVMUNBG-MLGOLLRUSA-N -1 0 338.411 2.641 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c(Cl)c1 ZINC000514950541 479097006 /nfs/dbraw/zinc/09/70/06/479097006.db2.gz OGFPDEPDCWQHIY-UHFFFAOYSA-N -1 0 336.804 2.807 20 30 EFEDRM CCCc1nc(=NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)s[n-]1 ZINC000567017630 479101102 /nfs/dbraw/zinc/10/11/02/479101102.db2.gz BZNYTVNQHMPUKL-KGLIPLIRSA-N -1 0 341.440 2.684 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1C(C)C ZINC000596044253 479103803 /nfs/dbraw/zinc/10/38/03/479103803.db2.gz QWBFIEQQOYZFBJ-UHFFFAOYSA-N -1 0 348.428 2.994 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1)C1CCCC1 ZINC000601978465 479106137 /nfs/dbraw/zinc/10/61/37/479106137.db2.gz VPZYDNQYLLWNQC-HNNXBMFYSA-N -1 0 326.393 2.644 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c(C)n1 ZINC000601978139 479106828 /nfs/dbraw/zinc/10/68/28/479106828.db2.gz UAGFRPQPPDWGOK-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601985330 479111438 /nfs/dbraw/zinc/11/14/38/479111438.db2.gz LAYKHHFUZLXMBS-QWRGUYRKSA-N -1 0 336.413 2.879 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601985329 479112470 /nfs/dbraw/zinc/11/24/70/479112470.db2.gz LAYKHHFUZLXMBS-MNOVXSKESA-N -1 0 336.413 2.879 20 30 EFEDRM N#CCC1(CNC(=O)C[C@]2(C(=O)[O-])CCCc3ccccc32)CC1 ZINC000601985540 479112535 /nfs/dbraw/zinc/11/25/35/479112535.db2.gz ZUTQXHLJPFXSSU-LJQANCHMSA-N -1 0 326.396 2.545 20 30 EFEDRM C=CCOC[C@@H](NC(=O)NC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000584387664 479114377 /nfs/dbraw/zinc/11/43/77/479114377.db2.gz KWOHHQAGESWFKK-OFLPRAFFSA-N -1 0 346.427 2.668 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000493696187 479118656 /nfs/dbraw/zinc/11/86/56/479118656.db2.gz QJJIEVVNJDPNSH-MDZDMXLPSA-N -1 0 342.420 2.803 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)cc1C#N ZINC000596068030 479119229 /nfs/dbraw/zinc/11/92/29/479119229.db2.gz RWEYXQQRNKGDAJ-UHFFFAOYSA-N -1 0 331.372 2.722 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000547827548 479121948 /nfs/dbraw/zinc/12/19/48/479121948.db2.gz MIEGWWFOQXYBPF-UHFFFAOYSA-N -1 0 327.413 2.785 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)/C=C\c1ccc(OCC#N)cc1)C(=O)[O-] ZINC000493726425 479133020 /nfs/dbraw/zinc/13/30/20/479133020.db2.gz RCWMALUIXPWJSS-CXOKCQFOSA-N -1 0 344.411 2.998 20 30 EFEDRM COC[C@@]1(C(=O)[O-])CCN(c2cc(C#N)ccc2C(F)(F)F)C1 ZINC000602010036 479134161 /nfs/dbraw/zinc/13/41/61/479134161.db2.gz AKNGSLGLPWSSPR-CQSZACIVSA-N -1 0 328.290 2.505 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc(-n3ccnn3)c2)n1 ZINC000549162162 479137796 /nfs/dbraw/zinc/13/77/96/479137796.db2.gz RRSRAPXHJFTRQF-ZDUSSCGKSA-N -1 0 338.396 2.732 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3cccnc3)nn2)n1 ZINC000573775799 479139926 /nfs/dbraw/zinc/13/99/26/479139926.db2.gz MFGGTLCFCROHFV-GFCCVEGCSA-N -1 0 338.396 2.732 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000552240992 479151047 /nfs/dbraw/zinc/15/10/47/479151047.db2.gz APXUIAVUNKTHFI-UHFFFAOYSA-N -1 0 348.428 2.533 20 30 EFEDRM CCn1ncc([N-]S(=O)(=O)CCC(C)(C)C#N)c1C(F)(F)F ZINC000569725763 479164628 /nfs/dbraw/zinc/16/46/28/479164628.db2.gz FOVXYDPAAXTKBW-UHFFFAOYSA-N -1 0 338.355 2.603 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000555529111 479165096 /nfs/dbraw/zinc/16/50/96/479165096.db2.gz ASVBGXYTLJPTJI-UHFFFAOYSA-N -1 0 338.429 2.730 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000610725189 479167485 /nfs/dbraw/zinc/16/74/85/479167485.db2.gz LOTDZGDXXJVYEK-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000573897399 479167590 /nfs/dbraw/zinc/16/75/90/479167590.db2.gz HYQCOOMUDXHYCV-AAEUAGOBSA-N -1 0 340.807 2.826 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)s1 ZINC000610725616 479168492 /nfs/dbraw/zinc/16/84/92/479168492.db2.gz RKYBGCYPSTXYFZ-UHFFFAOYSA-N -1 0 341.417 2.904 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCCc2cccc(-c3ccccc3)c2)[n-]1 ZINC000610767532 479182112 /nfs/dbraw/zinc/18/21/12/479182112.db2.gz ZFSGJERGNGBYQP-UHFFFAOYSA-N -1 0 345.406 2.745 20 30 EFEDRM N#Cc1[n-]c(=NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)sc1Cl ZINC000596221002 479208866 /nfs/dbraw/zinc/20/88/66/479208866.db2.gz GKAOSMCJKSAQRM-HQJQHLMTSA-N -1 0 339.770 2.986 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)c1 ZINC000610914785 479231473 /nfs/dbraw/zinc/23/14/73/479231473.db2.gz DJNGTMLMSRWPQK-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#CCC1(CNC(=O)N=c2[n-]nc(-c3c(F)cccc3F)s2)CC1 ZINC000603082550 479237099 /nfs/dbraw/zinc/23/70/99/479237099.db2.gz YFKDFZCZHCMQNL-UHFFFAOYSA-N -1 0 349.366 2.721 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000574253471 479247456 /nfs/dbraw/zinc/24/74/56/479247456.db2.gz DLPVLWWEIODUOV-ZIAGYGMSSA-N -1 0 336.363 2.758 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)n[nH]c1C(F)(F)F ZINC000611101957 479282314 /nfs/dbraw/zinc/28/23/14/479282314.db2.gz VULACRHCMZKPEF-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1)c1cccc(C#N)c1 ZINC000603164908 479286222 /nfs/dbraw/zinc/28/62/22/479286222.db2.gz LYBHINQLPMTXQP-MFKMUULPSA-N -1 0 343.412 2.566 20 30 EFEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000611124160 479288260 /nfs/dbraw/zinc/28/82/60/479288260.db2.gz XZMRSRRRKLBEJS-KBPBESRZSA-N -1 0 346.481 2.778 20 30 EFEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000611124161 479288332 /nfs/dbraw/zinc/28/83/32/479288332.db2.gz XZMRSRRRKLBEJS-KGLIPLIRSA-N -1 0 346.481 2.778 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000574449648 479288619 /nfs/dbraw/zinc/28/86/19/479288619.db2.gz KASOBGKKFIDFGP-UHFFFAOYSA-N -1 0 338.429 2.537 20 30 EFEDRM CCc1nnc(NC[C@@](C)(C(=O)[O-])c2ccccc2)c(C#N)c1CC ZINC000593327544 479297393 /nfs/dbraw/zinc/29/73/93/479297393.db2.gz OKVVNOWSZKRLTL-LJQANCHMSA-N -1 0 338.411 2.927 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000596447821 479297986 /nfs/dbraw/zinc/29/79/86/479297986.db2.gz RZGWZELCTZMUAG-LBPRGKRZSA-N -1 0 327.413 2.785 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1O ZINC000575225020 479422508 /nfs/dbraw/zinc/42/25/08/479422508.db2.gz FMQAVYINWKTRJU-UKRRQHHQSA-N -1 0 328.393 2.975 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)on1 ZINC000611599282 479428440 /nfs/dbraw/zinc/42/84/40/479428440.db2.gz QYXBVPXBLLBZGW-QMMMGPOBSA-N -1 0 345.311 2.700 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1C#N ZINC000588715472 479434231 /nfs/dbraw/zinc/43/42/31/479434231.db2.gz MSVAKJLYPFCPBP-UHFFFAOYSA-N -1 0 331.788 2.974 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000599863620 479458049 /nfs/dbraw/zinc/45/80/49/479458049.db2.gz DYQXIKWCUQTNLZ-VNQPRFMTSA-N -1 0 329.400 2.784 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000614613991 479459917 /nfs/dbraw/zinc/45/99/17/479459917.db2.gz RIDRRAVIPASRMI-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(F)c2ccccc21 ZINC000589001906 479468156 /nfs/dbraw/zinc/46/81/56/479468156.db2.gz FKZZSMXIPSEUMQ-LLVKDONJSA-N -1 0 337.358 2.889 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000575860899 479488202 /nfs/dbraw/zinc/48/82/02/479488202.db2.gz LZMMKPWFBFLUAC-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C#N ZINC000593957121 479519456 /nfs/dbraw/zinc/51/94/56/479519456.db2.gz YLIJGGJDGFTYJZ-AWEZNQCLSA-N -1 0 333.388 2.824 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593956377 479520082 /nfs/dbraw/zinc/52/00/82/479520082.db2.gz LXWOSYLQZVSTFN-TVYUQYBPSA-N -1 0 333.363 2.954 20 30 EFEDRM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000614857067 479529254 /nfs/dbraw/zinc/52/92/54/479529254.db2.gz WWHQFJSAKWLVIO-UHFFFAOYSA-N -1 0 342.289 2.846 20 30 EFEDRM CCN(CCC(F)(F)F)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000604525532 479533794 /nfs/dbraw/zinc/53/37/94/479533794.db2.gz IFOXODODTWYOIS-UHFFFAOYSA-N -1 0 333.335 2.795 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cccc3c2OC(C)(C)C3)[n-]1 ZINC000593988466 479534897 /nfs/dbraw/zinc/53/48/97/479534897.db2.gz IBWDFZCRZURUEO-UHFFFAOYSA-N -1 0 338.411 2.897 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC000589593257 479541939 /nfs/dbraw/zinc/54/19/39/479541939.db2.gz FXXCOXYYORDLQD-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000589590947 479542330 /nfs/dbraw/zinc/54/23/30/479542330.db2.gz GYICSCWARUVZCR-UHFFFAOYSA-N -1 0 332.429 2.865 20 30 EFEDRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589586641 479542564 /nfs/dbraw/zinc/54/25/64/479542564.db2.gz QBTXBHXEYFLNBZ-UHFFFAOYSA-N -1 0 346.456 2.876 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c1 ZINC000589588965 479542974 /nfs/dbraw/zinc/54/29/74/479542974.db2.gz QQAWXUQUKMSDPU-UHFFFAOYSA-N -1 0 346.412 2.984 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(F)c1 ZINC000589594418 479544083 /nfs/dbraw/zinc/54/40/83/479544083.db2.gz ZTIHFMWOQSNHKM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC(C)N(CCC#N)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597037886 479544829 /nfs/dbraw/zinc/54/48/29/479544829.db2.gz KLDQHHITDUGZFO-UHFFFAOYSA-N -1 0 334.326 2.620 20 30 EFEDRM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2nn1C ZINC000589654056 479556953 /nfs/dbraw/zinc/55/69/53/479556953.db2.gz LDUUQHWWJOFZNF-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000576691374 479582612 /nfs/dbraw/zinc/58/26/12/479582612.db2.gz GICHZNIJUOSHIR-MRXNPFEDSA-N -1 0 342.351 2.904 20 30 EFEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000576893558 479585334 /nfs/dbraw/zinc/58/53/34/479585334.db2.gz GZOHOWBVIYLWLH-LBPRGKRZSA-N -1 0 327.388 2.914 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000578949216 479635836 /nfs/dbraw/zinc/63/58/36/479635836.db2.gz BLVIITVPCGVHIR-UHFFFAOYSA-N -1 0 332.400 2.790 20 30 EFEDRM Cc1nn2cccnc2c1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605362900 479637461 /nfs/dbraw/zinc/63/74/61/479637461.db2.gz YLBGZLSXOYZSDZ-LBPRGKRZSA-N -1 0 330.351 2.713 20 30 EFEDRM N#CCN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCC1 ZINC000597276262 479653725 /nfs/dbraw/zinc/65/37/25/479653725.db2.gz FLNRFCYVMMEKJW-UHFFFAOYSA-N -1 0 346.337 2.764 20 30 EFEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000579066828 479655449 /nfs/dbraw/zinc/65/54/49/479655449.db2.gz FIFVYCCTJWXMGX-LBPRGKRZSA-N -1 0 327.388 2.914 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[nH][nH]2)cc1[O-] ZINC000615504028 479681134 /nfs/dbraw/zinc/68/11/34/479681134.db2.gz AJVGIBCQRGEZNB-UHFFFAOYSA-N -1 0 338.754 2.982 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000621566591 479700762 /nfs/dbraw/zinc/70/07/62/479700762.db2.gz VCOBTXMRIBKYTN-OAHLLOKOSA-N -1 0 347.411 2.902 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000621614908 479724482 /nfs/dbraw/zinc/72/44/82/479724482.db2.gz YJMDPSRSBZMJGW-DNVCBOLYSA-N -1 0 329.396 2.968 20 30 EFEDRM CCOCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000621721538 479767923 /nfs/dbraw/zinc/76/79/23/479767923.db2.gz SBANJEOMOTWHMV-CYBMUJFWSA-N -1 0 330.413 2.744 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c2n[nH]cc21 ZINC000619462431 479799725 /nfs/dbraw/zinc/79/97/25/479799725.db2.gz TUEHJQGGIASCHG-UHFFFAOYSA-N -1 0 326.381 2.738 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000619461734 479799908 /nfs/dbraw/zinc/79/99/08/479799908.db2.gz XWUDBAZIJLFNDP-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cnn1CC(C)C ZINC000619463678 479800902 /nfs/dbraw/zinc/80/09/02/479800902.db2.gz MRPBKHMIFXBCDB-UHFFFAOYSA-N -1 0 332.429 2.714 20 30 EFEDRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619463860 479801157 /nfs/dbraw/zinc/80/11/57/479801157.db2.gz OXFNPDSOGRCJLA-GFCCVEGCSA-N -1 0 330.413 2.721 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463175 479801374 /nfs/dbraw/zinc/80/13/74/479801374.db2.gz NXLZJFBPKNSSRX-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)nc2c1CCCC2 ZINC000619569620 479830814 /nfs/dbraw/zinc/83/08/14/479830814.db2.gz CQKSPAMRMRMIRC-UHFFFAOYSA-N -1 0 342.424 2.531 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC000619693777 479858740 /nfs/dbraw/zinc/85/87/40/479858740.db2.gz FJSLFTKCKUXFAG-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1(c2ccccc2)CCCC1 ZINC000614182125 480217707 /nfs/dbraw/zinc/21/77/07/480217707.db2.gz DPHFIBHADCDLPR-CQSZACIVSA-N -1 0 337.427 2.736 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])C1 ZINC000629334797 480221726 /nfs/dbraw/zinc/22/17/26/480221726.db2.gz YMCKNERSVVWJMP-LBPRGKRZSA-N -1 0 346.408 2.520 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1F ZINC000610057306 480233028 /nfs/dbraw/zinc/23/30/28/480233028.db2.gz NNVUELRMDAKYFE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610057276 480233262 /nfs/dbraw/zinc/23/32/62/480233262.db2.gz LSNZVWSLUVBLTC-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC000610149763 480245710 /nfs/dbraw/zinc/24/57/10/480245710.db2.gz WBCWPXYNHMPVTO-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629500689 480284397 /nfs/dbraw/zinc/28/43/97/480284397.db2.gz JWYGBDNTNXCOEQ-UONOGXRCSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629500688 480284567 /nfs/dbraw/zinc/28/45/67/480284567.db2.gz JWYGBDNTNXCOEQ-KGLIPLIRSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629500686 480284706 /nfs/dbraw/zinc/28/47/06/480284706.db2.gz JWYGBDNTNXCOEQ-KBPBESRZSA-N -1 0 348.468 2.946 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000610560960 480336997 /nfs/dbraw/zinc/33/69/97/480336997.db2.gz MTKULUWNDUXCCI-QMMMGPOBSA-N -1 0 338.198 2.903 20 30 EFEDRM CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)c1ccccc1 ZINC000610562153 480337041 /nfs/dbraw/zinc/33/70/41/480337041.db2.gz JLRMAMOUYIEHLG-OAHLLOKOSA-N -1 0 325.416 2.592 20 30 EFEDRM Cc1ccc([C@H]2CCCCCN2C(=O)N=c2[n-]n(C)cc2C#N)o1 ZINC000610560370 480337129 /nfs/dbraw/zinc/33/71/29/480337129.db2.gz BFFDNJTWBHNIRK-CQSZACIVSA-N -1 0 327.388 2.764 20 30 EFEDRM COc1ccccc1[C@H](CC(C)C)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610561030 480337337 /nfs/dbraw/zinc/33/73/37/480337337.db2.gz CVABSDIJYXBIDC-HNNXBMFYSA-N -1 0 341.415 2.631 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCc2cccc(Oc3ccccc3)c2)[n-]1 ZINC000610563397 480337786 /nfs/dbraw/zinc/33/77/86/480337786.db2.gz BVIFOMWSVHCESE-UHFFFAOYSA-N -1 0 347.378 2.828 20 30 EFEDRM CC(C)CN(Cc1ccccc1F)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563726 480337815 /nfs/dbraw/zinc/33/78/15/480337815.db2.gz FKWFOLKUOJRSCC-UHFFFAOYSA-N -1 0 329.379 2.543 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC(c2ccccc2)c2ccccc2)[n-]1 ZINC000610563067 480337953 /nfs/dbraw/zinc/33/79/53/480337953.db2.gz QNSVXGILVUAAOM-UHFFFAOYSA-N -1 0 345.406 2.667 20 30 EFEDRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610565302 480338003 /nfs/dbraw/zinc/33/80/03/480338003.db2.gz YVFQTJRMXZNUGQ-UHFFFAOYSA-N -1 0 325.416 2.675 20 30 EFEDRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000610562453 480338017 /nfs/dbraw/zinc/33/80/17/480338017.db2.gz UMVXMLFAOASSOI-INIZCTEOSA-N -1 0 325.416 2.931 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(c3ccc(Cl)cc3)CCC2)[n-]1 ZINC000610563601 480338110 /nfs/dbraw/zinc/33/81/10/480338110.db2.gz CAIKNWZFHVDTBW-UHFFFAOYSA-N -1 0 343.818 2.610 20 30 EFEDRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563367 480338140 /nfs/dbraw/zinc/33/81/40/480338140.db2.gz AZNJEWJLIYGKDB-SJORKVTESA-N -1 0 337.427 2.904 20 30 EFEDRM CC(C)c1ccc(C(C)(C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610562870 480338223 /nfs/dbraw/zinc/33/82/23/480338223.db2.gz JHMPWDKTMGSXER-UHFFFAOYSA-N -1 0 325.416 2.894 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C(C)(C)C)c1 ZINC000610563374 480338541 /nfs/dbraw/zinc/33/85/41/480338541.db2.gz BHNLIKYEKGXCNX-OAHLLOKOSA-N -1 0 325.416 2.931 20 30 EFEDRM CN(Cc1c(Cl)cccc1Cl)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610562374 480338868 /nfs/dbraw/zinc/33/88/68/480338868.db2.gz QWSBUPYYDGZJMO-UHFFFAOYSA-N -1 0 338.198 2.684 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000617787153 480362037 /nfs/dbraw/zinc/36/20/37/480362037.db2.gz IGMIOYVRTVJHFE-LBPRGKRZSA-N -1 0 340.420 2.626 20 30 EFEDRM Cc1cc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])ccc1C#N ZINC000618085871 480511614 /nfs/dbraw/zinc/51/16/14/480511614.db2.gz OKTKUURNMVVOSC-CLFYSBASSA-N -1 0 345.358 2.832 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000626762398 480521106 /nfs/dbraw/zinc/52/11/06/480521106.db2.gz WKAIPHWZMYLARN-XJKSGUPXSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000626762396 480521260 /nfs/dbraw/zinc/52/12/60/480521260.db2.gz WKAIPHWZMYLARN-CJNGLKHVSA-N -1 0 332.400 2.504 20 30 EFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2cc(F)ccc2s1 ZINC000644786634 480575423 /nfs/dbraw/zinc/57/54/23/480575423.db2.gz IZBFZPDRJFMLNO-JTQLQIEISA-N -1 0 342.355 2.904 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000634853267 480582224 /nfs/dbraw/zinc/58/22/24/480582224.db2.gz JVAXNXHADVNSTA-UWVGGRQHSA-N -1 0 331.821 2.794 20 30 EFEDRM C=CCC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCOCC1 ZINC000618248070 480585001 /nfs/dbraw/zinc/58/50/01/480585001.db2.gz SXTKSYNXYPWHFM-UHFFFAOYSA-N -1 0 345.374 2.572 20 30 EFEDRM C=C(CNC(=O)N=c1[n-]nc([C@H]2CCCO2)s1)c1ccccc1 ZINC000640729004 480594636 /nfs/dbraw/zinc/59/46/36/480594636.db2.gz HSTHOTBQJXBPDA-CYBMUJFWSA-N -1 0 330.413 2.646 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](CCC)c1cccc(Cl)c1)C(=O)[O-] ZINC000630186473 480597487 /nfs/dbraw/zinc/59/74/87/480597487.db2.gz RZIZPEDJRQIUAE-HUUCEWRRSA-N -1 0 339.819 2.996 20 30 EFEDRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893720 480612585 /nfs/dbraw/zinc/61/25/85/480612585.db2.gz ZLLXKHWYSSJBDL-KBPBESRZSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000634895870 480614082 /nfs/dbraw/zinc/61/40/82/480614082.db2.gz PCZLHQWKBOUTAY-IAGOWNOFSA-N -1 0 329.396 2.877 20 30 EFEDRM C=CCC1(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)CCOCC1 ZINC000634928553 480641388 /nfs/dbraw/zinc/64/13/88/480641388.db2.gz POBHSBYMEZGQHW-SFHVURJKSA-N -1 0 331.412 2.661 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000630316811 480667603 /nfs/dbraw/zinc/66/76/03/480667603.db2.gz INTSSYQXKXXGTF-SNVBAGLBSA-N -1 0 348.346 2.728 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000630316664 480667857 /nfs/dbraw/zinc/66/78/57/480667857.db2.gz GDROLXALTKDLSF-GFCCVEGCSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2nccs2)c1C)C(=O)[O-] ZINC000630319394 480668862 /nfs/dbraw/zinc/66/88/62/480668862.db2.gz ZOVPYIIQORQJIN-CYBMUJFWSA-N -1 0 333.413 2.700 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC000630319370 480669000 /nfs/dbraw/zinc/66/90/00/480669000.db2.gz ZDIJWEVWCYEXIS-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000630319961 480669626 /nfs/dbraw/zinc/66/96/26/480669626.db2.gz LYQHUCVXJIBBFF-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(OCC(C)C)c(Cl)c1)C(=O)[O-] ZINC000630320498 480670071 /nfs/dbraw/zinc/67/00/71/480670071.db2.gz XSJYENSHQPFTJS-CYBMUJFWSA-N -1 0 340.807 2.919 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630322419 480670921 /nfs/dbraw/zinc/67/09/21/480670921.db2.gz SBNBJVCAPHNAEN-DYVFJYSZSA-N -1 0 326.396 2.949 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000630323891 480671938 /nfs/dbraw/zinc/67/19/38/480671938.db2.gz BGGMYBHGQMTQLZ-CQSZACIVSA-N -1 0 335.400 2.879 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000630327358 480672615 /nfs/dbraw/zinc/67/26/15/480672615.db2.gz ZVZMKLQIPIYLGF-FZMZJTMJSA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC000630327177 480673079 /nfs/dbraw/zinc/67/30/79/480673079.db2.gz XWWUQODXQDAGEV-NSHDSACASA-N -1 0 349.412 2.656 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)C(=O)[O-] ZINC000630326907 480673116 /nfs/dbraw/zinc/67/31/16/480673116.db2.gz SVSICBLOFPOVBD-RHSMWYFYSA-N -1 0 347.411 2.511 20 30 EFEDRM C=C(C)C[C@H](NC(=O)N[C@H](C)CCc1ccc(OC)cc1)C(=O)[O-] ZINC000630471941 480732946 /nfs/dbraw/zinc/73/29/46/480732946.db2.gz XFTRRJGQRKJZCQ-CJNGLKHVSA-N -1 0 334.416 2.735 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132819 480816581 /nfs/dbraw/zinc/81/65/81/480816581.db2.gz WSRSLVMTNRTIHL-OAHLLOKOSA-N -1 0 326.400 2.548 20 30 EFEDRM C=CCCCS(=O)(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000646021887 481026719 /nfs/dbraw/zinc/02/67/19/481026719.db2.gz IEZCQFSOOTXVIC-UHFFFAOYSA-N -1 0 339.438 2.985 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000646152911 481126971 /nfs/dbraw/zinc/12/69/71/481126971.db2.gz KXBSLSDCOVTVGY-MRXNPFEDSA-N -1 0 346.427 2.875 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000659053964 481196761 /nfs/dbraw/zinc/19/67/61/481196761.db2.gz VBBSJGZJZVFKNQ-GFCCVEGCSA-N -1 0 330.413 2.702 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)C1 ZINC000659170345 481247202 /nfs/dbraw/zinc/24/72/02/481247202.db2.gz TXAAPJGNRPJKOB-CQSZACIVSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1c(C)sc2c1cccc2C)C(=O)[O-] ZINC000643297539 481393138 /nfs/dbraw/zinc/39/31/38/481393138.db2.gz NMLRVDRSKLOHIA-LBPRGKRZSA-N -1 0 339.438 2.826 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000653665301 481396446 /nfs/dbraw/zinc/39/64/46/481396446.db2.gz LYOMPGGGTYZZOQ-WBVHZDCISA-N -1 0 331.412 2.659 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1OC ZINC000659785252 481547677 /nfs/dbraw/zinc/54/76/77/481547677.db2.gz URPPBXZSCWTUDT-UHFFFAOYSA-N -1 0 335.400 2.833 20 30 EFEDRM C=CCCn1cc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])nn1 ZINC000659793391 481553131 /nfs/dbraw/zinc/55/31/31/481553131.db2.gz UKMHTQNGHBIHIM-DOTOQJQBSA-N -1 0 332.448 2.710 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000659795994 481556132 /nfs/dbraw/zinc/55/61/32/481556132.db2.gz VSRMLTDFVFNHOD-OLZOCXBDSA-N -1 0 331.290 2.598 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCO[C@H]2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000647406673 481805869 /nfs/dbraw/zinc/80/58/69/481805869.db2.gz WXXFEOYXNALLLB-XJKSGUPXSA-N -1 0 328.416 2.921 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc2c(cnn2C(F)F)c1)C(=O)[O-] ZINC000654797114 482055160 /nfs/dbraw/zinc/05/51/60/482055160.db2.gz OKKPCDZZBRPGHR-LLVKDONJSA-N -1 0 338.314 2.972 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1N1CCCC1)C(=O)[O-] ZINC000654798454 482055654 /nfs/dbraw/zinc/05/56/54/482055654.db2.gz SSJRYJMLNGAGFO-HNNXBMFYSA-N -1 0 331.416 2.505 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1N1CCCC1)C(=O)[O-] ZINC000654798457 482055684 /nfs/dbraw/zinc/05/56/84/482055684.db2.gz SSJRYJMLNGAGFO-OAHLLOKOSA-N -1 0 331.416 2.505 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000654800292 482056565 /nfs/dbraw/zinc/05/65/65/482056565.db2.gz NSEGBJNDQSHAPJ-CQSZACIVSA-N -1 0 334.416 2.691 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](OC)c1ccccc1Cl)C(=O)[O-] ZINC000654805606 482059020 /nfs/dbraw/zinc/05/90/20/482059020.db2.gz GIYVHDPTCMXGKZ-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccccc2Cl)CCC1)C(=O)[O-] ZINC000652071213 482060521 /nfs/dbraw/zinc/06/05/21/482060521.db2.gz LVLCJPHVNBICAC-AWEZNQCLSA-N -1 0 337.803 2.534 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000654819988 482064722 /nfs/dbraw/zinc/06/47/22/482064722.db2.gz DMHCZPMZCHXAOS-DGSCNEQVSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000663094843 482066670 /nfs/dbraw/zinc/06/66/70/482066670.db2.gz STCOOLSWJWFDOU-INIZCTEOSA-N -1 0 342.395 2.550 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc(Cl)c(OC)c(OC)c1)C(=O)[O-] ZINC000649536244 482120445 /nfs/dbraw/zinc/12/04/45/482120445.db2.gz POENYLVXSRAKLA-NSHDSACASA-N -1 0 342.779 2.898 20 30 EFEDRM C=C(C)COCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666536445 482370598 /nfs/dbraw/zinc/37/05/98/482370598.db2.gz YWGZBPOUHUHZCM-UHFFFAOYSA-N -1 0 346.427 2.867 20 30 EFEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000174218217 533816922 /nfs/dbraw/zinc/81/69/22/533816922.db2.gz INCRXSWNFBESCK-MNOVXSKESA-N -1 0 340.832 2.843 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(CC#N)cc3)cc2=O)cc1 ZINC000174440703 534237473 /nfs/dbraw/zinc/23/74/73/534237473.db2.gz NLRSLUKHFXBSSJ-UHFFFAOYSA-N -1 0 332.363 2.792 20 30 EFEDRM C=CCc1cc(C(=O)NC2(C(=O)[O-])CCCC2)cc(OC)c1OC ZINC000262313613 534407993 /nfs/dbraw/zinc/40/79/93/534407993.db2.gz ORFZCSPRIQOUSE-UHFFFAOYSA-N -1 0 333.384 2.560 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(OC)c1OC ZINC000262954466 534408414 /nfs/dbraw/zinc/40/84/14/534408414.db2.gz LMPBOCYZONKYLY-IUODEOHRSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000263114893 534409122 /nfs/dbraw/zinc/40/91/22/534409122.db2.gz UYTXKWOWGIFOMW-DOMZBBRYSA-N -1 0 347.411 2.758 20 30 EFEDRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cs1 ZINC000064100183 519451477 /nfs/dbraw/zinc/45/14/77/519451477.db2.gz JTENFDAKVFARAJ-UHFFFAOYSA-N -1 0 349.437 2.907 20 30 EFEDRM C=C(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccccc1 ZINC000288137651 534433785 /nfs/dbraw/zinc/43/37/85/534433785.db2.gz KHVSLHYAZXACKZ-ZDUSSCGKSA-N -1 0 328.334 2.519 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183087094 519933843 /nfs/dbraw/zinc/93/38/43/519933843.db2.gz ATJIEJKEZZLKKM-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2O1 ZINC000060738555 520617461 /nfs/dbraw/zinc/61/74/61/520617461.db2.gz FAMPHBZTGIWURI-UHFFFAOYSA-N -1 0 330.365 2.866 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263130307 520866727 /nfs/dbraw/zinc/86/67/27/520866727.db2.gz NANRDWPDHCLQJP-AAEUAGOBSA-N -1 0 331.372 2.531 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000057125697 520869135 /nfs/dbraw/zinc/86/91/35/520869135.db2.gz PQNSFOZMTGGXFN-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000176453403 534536477 /nfs/dbraw/zinc/53/64/77/534536477.db2.gz OGNRYMSSUHUBFK-GFCCVEGCSA-N -1 0 346.350 2.750 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000238181904 534570432 /nfs/dbraw/zinc/57/04/32/534570432.db2.gz GYUFXZBOBFRKFP-UHFFFAOYSA-N -1 0 330.384 2.598 20 30 EFEDRM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000067124407 521743137 /nfs/dbraw/zinc/74/31/37/521743137.db2.gz PJTZBKZQSXQURU-UHFFFAOYSA-N -1 0 344.396 2.500 20 30 EFEDRM C=CCC1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CCOCC1 ZINC000425245983 534589998 /nfs/dbraw/zinc/58/99/98/534589998.db2.gz VHJWEKGZUXGNNR-HNNXBMFYSA-N -1 0 349.402 2.558 20 30 EFEDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000063878661 522452459 /nfs/dbraw/zinc/45/24/59/522452459.db2.gz WXAHVCAHQBTYAZ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000362613336 534662262 /nfs/dbraw/zinc/66/22/62/534662262.db2.gz LNOQHEHYHVOEKL-LBPRGKRZSA-N -1 0 348.399 2.931 20 30 EFEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000183395216 522874493 /nfs/dbraw/zinc/87/44/93/522874493.db2.gz WOLQPVUUNORCNT-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000183068865 523656882 /nfs/dbraw/zinc/65/68/82/523656882.db2.gz WISWPXKLOMJIRF-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C(C)(C)C)c(C(=O)OC)s1 ZINC000427778024 534746157 /nfs/dbraw/zinc/74/61/57/534746157.db2.gz FFNUNYKIBAOUAA-UHFFFAOYSA-N -1 0 346.474 2.935 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000067116691 524057996 /nfs/dbraw/zinc/05/79/96/524057996.db2.gz RXOGJNMXFXEAFV-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262950627 534784191 /nfs/dbraw/zinc/78/41/91/534784191.db2.gz HGPXQJFFCGYITL-YGRLFVJLSA-N -1 0 341.791 2.572 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000412402655 534789733 /nfs/dbraw/zinc/78/97/33/534789733.db2.gz NTWGQGKLABENBW-VIFPVBQESA-N -1 0 348.624 2.865 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(OC)c(Br)c1)C(=O)[O-] ZINC000262813324 534792521 /nfs/dbraw/zinc/79/25/21/534792521.db2.gz DOQSHVLGCOOGQG-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C)C(=O)[O-] ZINC000262910942 534794818 /nfs/dbraw/zinc/79/48/18/534794818.db2.gz NDZNMLNCVSOUPR-OAHLLOKOSA-N -1 0 327.384 2.638 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000152721249 534816817 /nfs/dbraw/zinc/81/68/17/534816817.db2.gz JPOFYEKNJARIJZ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000181110053 534824189 /nfs/dbraw/zinc/82/41/89/534824189.db2.gz FAZPXZJQBOFZTN-UHFFFAOYSA-N -1 0 330.413 2.750 20 30 EFEDRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000181108753 534824335 /nfs/dbraw/zinc/82/43/35/534824335.db2.gz QDIUIYYOJMLPBZ-UHFFFAOYSA-N -1 0 330.413 2.750 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000263345083 534840325 /nfs/dbraw/zinc/84/03/25/534840325.db2.gz TUMVTZDVEUWUOR-UONOGXRCSA-N -1 0 332.356 2.610 20 30 EFEDRM Cc1nc(-c2cccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2)cs1 ZINC000175295977 534859207 /nfs/dbraw/zinc/85/92/07/534859207.db2.gz ZDKIIOMJMQCVCZ-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3C#N)ccc2O1 ZINC000183395105 525521782 /nfs/dbraw/zinc/52/17/82/525521782.db2.gz FFFDUYXVRXBJAX-SNVBAGLBSA-N -1 0 332.356 2.822 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC000263055532 534879813 /nfs/dbraw/zinc/87/98/13/534879813.db2.gz QFKZRUBUUZRCSW-INIZCTEOSA-N -1 0 344.411 2.851 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)ccc1OCCC)C(=O)[O-] ZINC000263047749 534879988 /nfs/dbraw/zinc/87/99/88/534879988.db2.gz PSNBSQUNPKUNHX-ZDUSSCGKSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000262870522 534880148 /nfs/dbraw/zinc/88/01/48/534880148.db2.gz BIWXRQPRANWSEZ-ZDUSSCGKSA-N -1 0 341.791 2.513 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC000262906370 534880153 /nfs/dbraw/zinc/88/01/53/534880153.db2.gz FAVFVIQHFWIYDN-ZDUSSCGKSA-N -1 0 337.441 2.793 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000263033124 534880806 /nfs/dbraw/zinc/88/08/06/534880806.db2.gz OTAPFCZHZNKQRX-LBPRGKRZSA-N -1 0 337.372 2.734 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1C#N ZINC000180705011 526527048 /nfs/dbraw/zinc/52/70/48/526527048.db2.gz RTQSEMPNMWDPKU-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000120517113 526531405 /nfs/dbraw/zinc/53/14/05/526531405.db2.gz NYEPPDDQJFUOKW-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000084384075 526621103 /nfs/dbraw/zinc/62/11/03/526621103.db2.gz PTBBHIDGPXNXPN-UHFFFAOYSA-N -1 0 336.326 2.519 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000078234774 526665679 /nfs/dbraw/zinc/66/56/79/526665679.db2.gz UMSFISAQZWGEJK-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1 ZINC000076195379 526683226 /nfs/dbraw/zinc/68/32/26/526683226.db2.gz PJARUZRQDMCSQO-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000191802013 526755305 /nfs/dbraw/zinc/75/53/05/526755305.db2.gz JFAKVWVSAQYSQC-UHFFFAOYSA-N -1 0 341.314 2.859 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000158429610 527012026 /nfs/dbraw/zinc/01/20/26/527012026.db2.gz GZRGJQOVCYNGMW-AWEZNQCLSA-N -1 0 334.441 2.842 20 30 EFEDRM C#CC[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C1CC1 ZINC000170654755 527175464 /nfs/dbraw/zinc/17/54/64/527175464.db2.gz YXSPKDKEOVDMFR-HNNXBMFYSA-N -1 0 342.420 2.664 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000156282906 527564424 /nfs/dbraw/zinc/56/44/24/527564424.db2.gz PTLFTCIRYOORDB-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1 ZINC000158624704 527878996 /nfs/dbraw/zinc/87/89/96/527878996.db2.gz JZVLWECYJILMBF-CYBMUJFWSA-N -1 0 336.399 2.701 20 30 EFEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000421237474 536527132 /nfs/dbraw/zinc/52/71/32/536527132.db2.gz RINVZDXVPSKYFX-INIZCTEOSA-N -1 0 344.436 2.866 20 30 EFEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1 ZINC000187727336 528235452 /nfs/dbraw/zinc/23/54/52/528235452.db2.gz AIXHBQDXQWXNSB-UHFFFAOYSA-N -1 0 348.428 2.662 20 30 EFEDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)nc3)sc2C1 ZINC000171154108 529259005 /nfs/dbraw/zinc/25/90/05/529259005.db2.gz KCFNUCIMCOWWHW-JTQLQIEISA-N -1 0 348.453 2.725 20 30 EFEDRM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000427750020 534965994 /nfs/dbraw/zinc/96/59/94/534965994.db2.gz SHOBAIJCDXMAAW-UHFFFAOYSA-N -1 0 336.392 2.810 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000263450998 535007956 /nfs/dbraw/zinc/00/79/56/535007956.db2.gz AMCTYQZFHVOYGO-UHFFFAOYSA-N -1 0 341.314 2.925 20 30 EFEDRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2O1 ZINC000435484889 535008005 /nfs/dbraw/zinc/00/80/05/535008005.db2.gz YZJUPIFSADASNV-UHFFFAOYSA-N -1 0 336.394 2.928 20 30 EFEDRM CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)c1 ZINC000329052396 535220392 /nfs/dbraw/zinc/22/03/92/535220392.db2.gz AAUZEKBDVDNHBB-CYBMUJFWSA-N -1 0 347.350 2.625 20 30 EFEDRM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416933647 535331909 /nfs/dbraw/zinc/33/19/09/535331909.db2.gz BEWLROLFDDKEEN-JTQLQIEISA-N -1 0 329.809 2.732 20 30 EFEDRM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2c1 ZINC000342447065 535445728 /nfs/dbraw/zinc/44/57/28/535445728.db2.gz KUMWBIPBPSUFCR-UHFFFAOYSA-N -1 0 349.393 2.960 20 30 EFEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435430759 535671155 /nfs/dbraw/zinc/67/11/55/535671155.db2.gz FLYBZWDATNRKRO-GMSGAONNSA-N -1 0 326.365 2.875 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000356723834 535697024 /nfs/dbraw/zinc/69/70/24/535697024.db2.gz RGMOUXQLLIKARX-UHFFFAOYSA-N -1 0 348.428 2.591 20 30 EFEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1ccncn1 ZINC000354459538 536047796 /nfs/dbraw/zinc/04/77/96/536047796.db2.gz DGCACWKKAJKIBK-JSGCOSHPSA-N -1 0 334.383 2.991 20 30 EFEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1ccncn1 ZINC000354459535 536047895 /nfs/dbraw/zinc/04/78/95/536047895.db2.gz DGCACWKKAJKIBK-GXTWGEPZSA-N -1 0 334.383 2.991 20 30 EFEDRM COC(=O)c1ccc(Cl)c(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1 ZINC000359520440 536710905 /nfs/dbraw/zinc/71/09/05/536710905.db2.gz ANZJBVRUKPDVCK-RMKNXTFCSA-N -1 0 343.770 2.951 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N(CCC#N)CCC(C)C)c1 ZINC000424642242 536916638 /nfs/dbraw/zinc/91/66/38/536916638.db2.gz KBRROPCNOJLOOB-QHCPKHFHSA-N -1 0 336.457 2.591 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1C ZINC000357460804 546104147 /nfs/dbraw/zinc/10/41/47/546104147.db2.gz BUFJRAXUQGLFOV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655935514 546649134 /nfs/dbraw/zinc/64/91/34/546649134.db2.gz IEOIOHGAMXEKHZ-UHFFFAOYSA-N -1 0 334.441 2.842 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(OC)c1)C(=O)[O-] ZINC000656490658 546819111 /nfs/dbraw/zinc/81/91/11/546819111.db2.gz DTNIFBWCKHQBGM-LLVKDONJSA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCCn1cc(CNc2cc(C(=O)[O-])ccc2OC(C)C)nn1 ZINC000656566999 546843846 /nfs/dbraw/zinc/84/38/46/546843846.db2.gz YKNXJNMROQIWOM-UHFFFAOYSA-N -1 0 330.388 2.952 20 30 EFEDRM C=CCCn1cc(CN[C@H](CC(=O)[O-])c2ccc(Cl)cc2)nn1 ZINC000656565831 546843919 /nfs/dbraw/zinc/84/39/19/546843919.db2.gz VOINFHCLYAQPQM-OAHLLOKOSA-N -1 0 334.807 2.813 20 30 EFEDRM C=CCCn1cc(CNc2cc(C(=O)[O-])ccc2OCCC)nn1 ZINC000656566817 546844014 /nfs/dbraw/zinc/84/40/14/546844014.db2.gz WHKGNQOJUVEDQI-UHFFFAOYSA-N -1 0 330.388 2.953 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000656717057 546899743 /nfs/dbraw/zinc/89/97/43/546899743.db2.gz INUGZXDSHRNKRW-GOEBONIOSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2c(C)csc2C(=O)[O-])C1 ZINC000656719068 546900551 /nfs/dbraw/zinc/90/05/51/546900551.db2.gz YMRDVLGBRXNFJW-NSHDSACASA-N -1 0 329.443 2.732 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C)C(=O)[O-] ZINC000681557812 549566177 /nfs/dbraw/zinc/56/61/77/549566177.db2.gz GPOAOSZOHNRKSI-CQSZACIVSA-N -1 0 339.457 2.909 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1csc2ccc(Cl)cc21)C(=O)[O-] ZINC000681557462 549566230 /nfs/dbraw/zinc/56/62/30/549566230.db2.gz APKACHMAPLDXJI-JTQLQIEISA-N -1 0 345.829 2.862 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000681558608 549566871 /nfs/dbraw/zinc/56/68/71/549566871.db2.gz SPONSSCMRBINJB-CYBMUJFWSA-N -1 0 339.800 2.801 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(OCCCCC)cc1)C(=O)[O-] ZINC000681558754 549567154 /nfs/dbraw/zinc/56/71/54/549567154.db2.gz WIYORKVNHBPPLH-HNNXBMFYSA-N -1 0 341.429 2.563 20 30 EFEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2C1 ZINC000683689985 549931657 /nfs/dbraw/zinc/93/16/57/549931657.db2.gz WAQNFLDRECDPLF-DGCLKSJQSA-N -1 0 339.399 2.607 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c1 ZINC000684534027 550054829 /nfs/dbraw/zinc/05/48/29/550054829.db2.gz JHACTCWEONNDCB-UHFFFAOYSA-N -1 0 342.376 2.519 20 30 EFEDRM O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCCC1 ZINC000764414336 576455876 /nfs/dbraw/zinc/45/58/76/576455876.db2.gz QWGMZSNDLBZCCJ-JQFNYASXSA-N -1 0 331.372 2.653 20 30 EFEDRM Cc1nc(C#N)c([N-]N=C2c3cc(C(F)(F)F)ccc3NC2=O)o1 ZINC000754257510 575411935 /nfs/dbraw/zinc/41/19/35/575411935.db2.gz DKTWRYIOJBIOMK-UHFFFAOYSA-N -1 0 335.245 2.642 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754700261 575473857 /nfs/dbraw/zinc/47/38/57/575473857.db2.gz JOCOAVJFEKJDTE-UHFFFAOYSA-N -1 0 327.175 2.611 20 30 EFEDRM Cc1nnc(NN=Cc2c[nH]c3cccc(Br)c23)[n-]c1=O ZINC000754701302 575473971 /nfs/dbraw/zinc/47/39/71/575473971.db2.gz RWZSCILHFBFQPC-UHFFFAOYSA-N -1 0 347.176 2.575 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)c2ccncc2)n1 ZINC000754942910 575517308 /nfs/dbraw/zinc/51/73/08/575517308.db2.gz ARYBKZRHNUCDLO-BXUZGUMPSA-N -1 0 343.408 2.760 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1cccc(I)c1[O-] ZINC000755361715 575578489 /nfs/dbraw/zinc/57/84/89/575578489.db2.gz XWQLDFGWOHRVNE-QMMMGPOBSA-N -1 0 331.153 2.691 20 30 EFEDRM C#CCCCCNC(=O)c1cccc(I)c1[O-] ZINC000755495325 575591904 /nfs/dbraw/zinc/59/19/04/575591904.db2.gz ZHAFOAPUPUHQPK-UHFFFAOYSA-N -1 0 343.164 2.530 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1cc(C(=O)[O-])cs1 ZINC000755505577 575593268 /nfs/dbraw/zinc/59/32/68/575593268.db2.gz LYSFSWSOCAOSDD-UHFFFAOYSA-N -1 0 335.410 2.775 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)c1cnc(C)s1)c1ccccc1 ZINC000755867054 575647189 /nfs/dbraw/zinc/64/71/89/575647189.db2.gz LVRKVYPHJYAPJM-CYBMUJFWSA-N -1 0 336.438 2.616 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnc(C)s1)c1ccccc1 ZINC000755872486 575647701 /nfs/dbraw/zinc/64/77/01/575647701.db2.gz IRJQJCREIGPDQB-LBPRGKRZSA-N -1 0 336.438 2.616 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000755986437 575666902 /nfs/dbraw/zinc/66/69/02/575666902.db2.gz SLXBEQCBEHHHRV-UHFFFAOYSA-N -1 0 339.457 2.817 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1n[nH]nc1-c1ccccc1 ZINC000756901079 575798967 /nfs/dbraw/zinc/79/89/67/575798967.db2.gz IVNQRQGSHVTPBF-UHFFFAOYSA-N -1 0 337.339 2.625 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2ccc(Cl)cc21 ZINC000756905480 575799671 /nfs/dbraw/zinc/79/96/71/575799671.db2.gz BBOMUUWRYZXTMP-UHFFFAOYSA-N -1 0 345.742 2.815 20 30 EFEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c(O)c1 ZINC000756906279 575799684 /nfs/dbraw/zinc/79/96/84/575799684.db2.gz XXTDIDNXYWARRF-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)ccc1O ZINC000756905886 575799700 /nfs/dbraw/zinc/79/97/00/575799700.db2.gz OQKWSQHDMYPUBJ-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM COc1ccc(O)c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000757467736 575839925 /nfs/dbraw/zinc/83/99/25/575839925.db2.gz JCNJDXYJAPBOBP-YWEYNIOJSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1ccc(CCNN=C(C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000758110282 575860023 /nfs/dbraw/zinc/86/00/23/575860023.db2.gz NHGZAPHYMQNYCT-UHFFFAOYSA-N -1 0 329.356 2.865 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2cncc(Br)c2)cc1[O-] ZINC000758129568 575860499 /nfs/dbraw/zinc/86/04/99/575860499.db2.gz INBBDOZWKURRCN-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000758521012 575871456 /nfs/dbraw/zinc/87/14/56/575871456.db2.gz DJBHXGRCGQWJMP-UHFFFAOYSA-N -1 0 334.441 2.569 20 30 EFEDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000758773938 575877316 /nfs/dbraw/zinc/87/73/16/575877316.db2.gz KCGDVWONOUWREB-UHFFFAOYSA-N -1 0 330.365 2.576 20 30 EFEDRM COCCn1cc2c(n1)[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000758817015 575877916 /nfs/dbraw/zinc/87/79/16/575877916.db2.gz WOMANAIZUWPKTK-YQYFLZKSSA-N -1 0 344.371 2.640 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000758941053 575880748 /nfs/dbraw/zinc/88/07/48/575880748.db2.gz QJNRKUUPTNLJFA-UHFFFAOYSA-N -1 0 326.171 2.824 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2\CCSc3ccc(Cl)cc3C2=O)nn1 ZINC000759084197 575884243 /nfs/dbraw/zinc/88/42/43/575884243.db2.gz OEWSTUXYUIYSGN-WEVVVXLNSA-N -1 0 349.799 2.778 20 30 EFEDRM O=C([O-])Cn1cc(/C=C2\CCCc3ccc(Cl)cc3C2=O)nn1 ZINC000759085797 575884311 /nfs/dbraw/zinc/88/43/11/575884311.db2.gz YNHHHTANCZLKRZ-IZZDOVSWSA-N -1 0 331.759 2.619 20 30 EFEDRM CNC(=O)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759089520 575884382 /nfs/dbraw/zinc/88/43/82/575884382.db2.gz GMZHMERTXHTINN-YWEYNIOJSA-N -1 0 326.308 2.556 20 30 EFEDRM CCOC(=O)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000759092686 575884423 /nfs/dbraw/zinc/88/44/23/575884423.db2.gz ZITXAIADMDVKFK-DAXSKMNVSA-N -1 0 331.280 2.966 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](CC)OCC ZINC000759232594 575887365 /nfs/dbraw/zinc/88/73/65/575887365.db2.gz UFYNBEUYIDAGRD-CHWSQXEVSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CO[C@@H](C)CC ZINC000759239442 575887557 /nfs/dbraw/zinc/88/75/57/575887557.db2.gz OPWPUCMYLOVYDH-GXFFZTMASA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H](C)C(C)C ZINC000759242090 575887621 /nfs/dbraw/zinc/88/76/21/575887621.db2.gz OAWSXROUPTXKIV-GXFFZTMASA-N -1 0 332.400 2.992 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759430827 575891534 /nfs/dbraw/zinc/89/15/34/575891534.db2.gz VKUWXYMOIPKQEC-VIFPVBQESA-N -1 0 346.255 2.928 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759429742 575891555 /nfs/dbraw/zinc/89/15/55/575891555.db2.gz AVHDWYNKMMJIHL-MRVPVSSYSA-N -1 0 332.228 2.585 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1(C)CC1 ZINC000759442327 575891883 /nfs/dbraw/zinc/89/18/83/575891883.db2.gz YSSCXWJXHIWXBA-GFCCVEGCSA-N -1 0 330.384 2.890 20 30 EFEDRM Cc1ccc(F)c(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC000759651961 575915743 /nfs/dbraw/zinc/91/57/43/575915743.db2.gz DPYKZZPWFVNYMU-UHFFFAOYSA-N -1 0 347.302 2.952 20 30 EFEDRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713261 575925055 /nfs/dbraw/zinc/92/50/55/575925055.db2.gz LJLMKCBLQFMQTH-CQSZACIVSA-N -1 0 333.388 2.752 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713244 575925080 /nfs/dbraw/zinc/92/50/80/575925080.db2.gz JRCBMLGDKNILPH-QWHCGFSZSA-N -1 0 345.399 2.896 20 30 EFEDRM COC(=O)[C@@H](CC(F)F)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761180031 576126027 /nfs/dbraw/zinc/12/60/27/576126027.db2.gz GYSGEKSUMJMFHK-GDHHIONMSA-N -1 0 336.678 2.570 20 30 EFEDRM CCC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc(C(=O)[O-])cc1 ZINC000761833360 576216775 /nfs/dbraw/zinc/21/67/75/576216775.db2.gz BNCMEVYBLWLBAV-UHFFFAOYSA-N -1 0 336.355 2.587 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762024748 576245267 /nfs/dbraw/zinc/24/52/67/576245267.db2.gz QWQIAIUUOHFJDQ-IRXDYDNUSA-N -1 0 328.412 2.819 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1csc(-c2ccccc2OC)n1 ZINC000762047979 576249107 /nfs/dbraw/zinc/24/91/07/576249107.db2.gz GQUMKJXFKUFFCS-UHFFFAOYSA-N -1 0 332.381 2.532 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000762052185 576249919 /nfs/dbraw/zinc/24/99/19/576249919.db2.gz HRESQZFBYUUBHL-UHFFFAOYSA-N -1 0 342.399 2.602 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)/C=C\c1ccc2cc(OC)ccc2c1 ZINC000762067696 576252751 /nfs/dbraw/zinc/25/27/51/576252751.db2.gz XJSJBDKWKNEPET-UITAMQMPSA-N -1 0 325.364 2.961 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2C(=O)Nc3c2c(C)ccc3C)n1 ZINC000762607664 576317467 /nfs/dbraw/zinc/31/74/67/576317467.db2.gz GUFQUNMKGGQWGJ-UHFFFAOYSA-N -1 0 338.415 2.708 20 30 EFEDRM CCN(CC)c1ccnc([N-]N=C2C(=O)Nc3c2c(F)ccc3C)n1 ZINC000762615225 576318305 /nfs/dbraw/zinc/31/83/05/576318305.db2.gz HLJOWNMBUVVHHS-UHFFFAOYSA-N -1 0 342.378 2.539 20 30 EFEDRM CC[C@H](CC#N)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000762718031 576327308 /nfs/dbraw/zinc/32/73/08/576327308.db2.gz CZMPRACQBLYUMH-CQSZACIVSA-N -1 0 345.424 2.633 20 30 EFEDRM COC(=O)[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C#N)c1 ZINC000762822683 576334755 /nfs/dbraw/zinc/33/47/55/576334755.db2.gz JSMRKNFJVPCDQI-HNNXBMFYSA-N -1 0 345.738 2.988 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2c[nH]nc2-c2ccc(F)cc2)nc1 ZINC000763369618 576374483 /nfs/dbraw/zinc/37/44/83/576374483.db2.gz HVMSDDFRTVLIDI-UHFFFAOYSA-N -1 0 325.303 2.755 20 30 EFEDRM CCOc1c(CN=Nc2ccc(C(=O)[O-])cn2)c(C)nn1CC(C)C ZINC000763368539 576374543 /nfs/dbraw/zinc/37/45/43/576374543.db2.gz OZOLQXRMLPUVNG-UHFFFAOYSA-N -1 0 345.403 2.785 20 30 EFEDRM Cn1c(CN=Nc2ccc(C(=O)[O-])cn2)nc2ccc(Cl)cc21 ZINC000763369836 576374559 /nfs/dbraw/zinc/37/45/59/576374559.db2.gz KMEQSOBEADRFQX-UHFFFAOYSA-N -1 0 329.747 2.766 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2cnn(-c3ccc(F)cc3)c2)nc1 ZINC000763371596 576374670 /nfs/dbraw/zinc/37/46/70/576374670.db2.gz FNHOIURYKFABMZ-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)s1 ZINC000763373349 576374805 /nfs/dbraw/zinc/37/48/05/576374805.db2.gz ICUVEYMTXPRIRM-UHFFFAOYSA-N -1 0 341.389 2.548 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2Cc3ccccc3C2)n1 ZINC000763380591 576375156 /nfs/dbraw/zinc/37/51/56/576375156.db2.gz ODPCEFLKKQQCFO-HNNXBMFYSA-N -1 0 340.404 2.586 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccn2C(C)C)n1 ZINC000763891292 576407364 /nfs/dbraw/zinc/40/73/64/576407364.db2.gz OPHKRXHTUPNEAO-GFCCVEGCSA-N -1 0 331.397 2.867 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000763927836 576411146 /nfs/dbraw/zinc/41/11/46/576411146.db2.gz OFYQEJZWJCWSGB-IUODEOHRSA-N -1 0 346.390 2.896 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNCc1cnc2ccccc2c1 ZINC000764779161 576502531 /nfs/dbraw/zinc/50/25/31/576502531.db2.gz OQBFWVIEGGOZST-UHFFFAOYSA-N -1 0 335.363 2.822 20 30 EFEDRM C[C@@H]1CC(=NC(=O)c2cc(OCc3ccccc3)ccc2[O-])NO1 ZINC000765384692 577037364 /nfs/dbraw/zinc/03/73/64/577037364.db2.gz PXMKAZSFXXXHAM-GFCCVEGCSA-N -1 0 326.352 2.823 20 30 EFEDRM O=C([O-])c1ccc2c(C=NNCc3ccc(F)cc3F)[nH]nc2c1 ZINC000765571419 577055378 /nfs/dbraw/zinc/05/53/78/577055378.db2.gz HEOKININPOAXDT-UHFFFAOYSA-N -1 0 330.294 2.663 20 30 EFEDRM Cn1c2ccccc2[nH+]c1[N-]N=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000765573830 577055446 /nfs/dbraw/zinc/05/54/46/577055446.db2.gz UAEVRBDWNKZNRN-UHFFFAOYSA-N -1 0 334.339 2.594 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2CN=Nc1ncnc2ccsc21 ZINC000765582162 577056238 /nfs/dbraw/zinc/05/62/38/577056238.db2.gz CEBHFAVJRHHVKC-UHFFFAOYSA-N -1 0 338.352 2.712 20 30 EFEDRM CSc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)c(Cl)c1 ZINC000765606346 577059022 /nfs/dbraw/zinc/05/90/22/577059022.db2.gz VHSIFQVWOCVDJN-GORDUTHDSA-N -1 0 337.788 2.634 20 30 EFEDRM CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000765823441 577080637 /nfs/dbraw/zinc/08/06/37/577080637.db2.gz FFRICHAKDVCAQS-YHYXMXQVSA-N -1 0 345.376 2.652 20 30 EFEDRM CC(C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)=C1CCCC1 ZINC000765943246 577090857 /nfs/dbraw/zinc/09/08/57/577090857.db2.gz WVDURIRDFWWVDT-UHFFFAOYSA-N -1 0 338.816 2.907 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000766502507 577159020 /nfs/dbraw/zinc/15/90/20/577159020.db2.gz OQIFSXDCLZCEEP-JMEBYUIHSA-N -1 0 344.319 2.814 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766569199 577167426 /nfs/dbraw/zinc/16/74/26/577167426.db2.gz CUXFSTZHWHCNGJ-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)C(CC)CC ZINC000766874146 577185891 /nfs/dbraw/zinc/18/58/91/577185891.db2.gz NNEKVNXFAMNNMO-UHFFFAOYSA-N -1 0 341.429 2.508 20 30 EFEDRM CCN(C(C)=O)c1nc(C=NNc2cccc(C(=O)[O-])c2)cs1 ZINC000767030597 577193180 /nfs/dbraw/zinc/19/31/80/577193180.db2.gz UWJKCKNLISCCJE-UHFFFAOYSA-N -1 0 332.385 2.660 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000767738575 577231037 /nfs/dbraw/zinc/23/10/37/577231037.db2.gz OVCBRXRIQKULIE-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM Cc1cc(Cl)c2c(c1)C(=NNc1nnc(C)c(=O)[n-]1)CCCO2 ZINC000767761387 577232375 /nfs/dbraw/zinc/23/23/75/577232375.db2.gz NVGYDBAVJPYVAD-UHFFFAOYSA-N -1 0 333.779 2.836 20 30 EFEDRM COc1ccc(NN=C(C)c2cc(C(=O)[O-])ccc2O)c([N+](=O)[O-])c1 ZINC000767796401 577234572 /nfs/dbraw/zinc/23/45/72/577234572.db2.gz KZWUQDKFVINOLW-UHFFFAOYSA-N -1 0 345.311 2.843 20 30 EFEDRM COc1ccc(N=NCc2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767800321 577234615 /nfs/dbraw/zinc/23/46/15/577234615.db2.gz AJYDAPOQCFQGKG-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM COc1cccc(NN=Cc2ccc(OCC(=O)[O-])c(OC)c2)c1 ZINC000725853358 577251197 /nfs/dbraw/zinc/25/11/97/577251197.db2.gz QBNUOZLSDPNQLQ-UHFFFAOYSA-N -1 0 330.340 2.613 20 30 EFEDRM CCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000725860127 577253836 /nfs/dbraw/zinc/25/38/36/577253836.db2.gz XOXUVXSIGPYDGY-UHFFFAOYSA-N -1 0 325.393 2.966 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cc(OC)c(OC)cc1O ZINC000768367411 577268986 /nfs/dbraw/zinc/26/89/86/577268986.db2.gz QFTUQNMKIVMDPL-UHFFFAOYSA-N -1 0 346.339 2.562 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000768376015 577269802 /nfs/dbraw/zinc/26/98/02/577269802.db2.gz QJJJJTQRSYPNEZ-UHFFFAOYSA-N -1 0 330.731 2.516 20 30 EFEDRM Cc1nnc(Nc2ccc(OCCCC(=O)[O-])cc2)c(C#N)c1C ZINC000738932243 577310028 /nfs/dbraw/zinc/31/00/28/577310028.db2.gz SDIFOJKNNHLTDZ-UHFFFAOYSA-N -1 0 326.356 2.952 20 30 EFEDRM COC(=O)N1CCC[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000726428519 577364415 /nfs/dbraw/zinc/36/44/15/577364415.db2.gz BXYVCTCTIITQCR-PFJSLNBISA-N -1 0 341.751 2.604 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000769542641 577371415 /nfs/dbraw/zinc/37/14/15/577371415.db2.gz JGCUXHPJKHDKDF-HEWZJLJBSA-N -1 0 347.411 2.889 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(C=NN2CCCC2=O)cc1 ZINC000769590295 577373617 /nfs/dbraw/zinc/37/36/17/577373617.db2.gz ZHSLANRGKFCHFU-UHFFFAOYSA-N -1 0 328.324 2.513 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1nc(-c3ccccc3)no1)O2 ZINC000726737672 577382013 /nfs/dbraw/zinc/38/20/13/577382013.db2.gz BJXNWQZVSCIHFO-UHFFFAOYSA-N -1 0 336.307 2.751 20 30 EFEDRM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)C1SC=CC1=O ZINC000769779881 577384572 /nfs/dbraw/zinc/38/45/72/577384572.db2.gz PMTMSLYEOLWLED-UHFFFAOYSA-N -1 0 346.416 2.890 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CCC[C@@H]1c1ccc(F)cc1)[n-]c2=O ZINC000769820038 577387748 /nfs/dbraw/zinc/38/77/48/577387748.db2.gz UNTMUSCYRHEROU-GFCCVEGCSA-N -1 0 340.362 2.944 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000726877885 577391369 /nfs/dbraw/zinc/39/13/69/577391369.db2.gz WLGWDAIPAJNAAJ-UHFFFAOYSA-N -1 0 346.795 2.617 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738313448 577392019 /nfs/dbraw/zinc/39/20/19/577392019.db2.gz JZOXXGQKFDCJBS-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM COC(=O)c1cc(NCCOc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000737664249 577399965 /nfs/dbraw/zinc/39/99/65/577399965.db2.gz IUOFLNQFFQLZSB-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1 ZINC000770103313 577402228 /nfs/dbraw/zinc/40/22/28/577402228.db2.gz WUVIXSGDVFCYGX-CQSZACIVSA-N -1 0 333.407 2.911 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000738347634 577405987 /nfs/dbraw/zinc/40/59/87/577405987.db2.gz QWZYDWDCPGMOBT-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cc(C)c(C#N)c(SCc2noc(CCCC(=O)[O-])n2)n1 ZINC000738352562 577409550 /nfs/dbraw/zinc/40/95/50/577409550.db2.gz RSTGTMKMTXBLAZ-UHFFFAOYSA-N -1 0 332.385 2.653 20 30 EFEDRM Cc1cc(C)n([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738370880 577420606 /nfs/dbraw/zinc/42/06/06/577420606.db2.gz WMUBEMZNSMIWJH-DYVFJYSZSA-N -1 0 341.367 2.692 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000770568855 581111321 /nfs/dbraw/zinc/11/13/21/581111321.db2.gz QNYACTSZXGEVLQ-BIFDJSDKSA-N -1 0 340.763 2.711 20 30 EFEDRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000770866560 581143479 /nfs/dbraw/zinc/14/34/79/581143479.db2.gz UBHACUCHTVVXMH-AIANPOQGSA-N -1 0 345.443 2.789 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000771072103 581171448 /nfs/dbraw/zinc/17/14/48/581171448.db2.gz SOYAXXKCTALFIX-LLVKDONJSA-N -1 0 340.832 2.583 20 30 EFEDRM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771078032 581172240 /nfs/dbraw/zinc/17/22/40/581172240.db2.gz ILWXJSUIJXMENB-INIZCTEOSA-N -1 0 348.468 2.641 20 30 EFEDRM CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771079998 581172810 /nfs/dbraw/zinc/17/28/10/581172810.db2.gz ZZZJYWHYPDNRPW-MRXNPFEDSA-N -1 0 348.468 2.956 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000771081890 581173084 /nfs/dbraw/zinc/17/30/84/581173084.db2.gz UQAFYQZGTCNJTN-QLFBSQMISA-N -1 0 338.473 2.733 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000772337866 581310403 /nfs/dbraw/zinc/31/04/03/581310403.db2.gz ARSJEAKBPISCBL-QMMMGPOBSA-N -1 0 325.246 2.666 20 30 EFEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000772645413 581351115 /nfs/dbraw/zinc/35/11/15/581351115.db2.gz ZLGDIJZZLWYUHW-HNNXBMFYSA-N -1 0 336.395 2.638 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)Cc1ccco1 ZINC000772649097 581351680 /nfs/dbraw/zinc/35/16/80/581351680.db2.gz AMKHGLJCOHPFJE-ZDUSSCGKSA-N -1 0 342.351 2.536 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000772715852 581359257 /nfs/dbraw/zinc/35/92/57/581359257.db2.gz XBNAPUJNXWYYLZ-UHFFFAOYSA-N -1 0 333.793 2.939 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCC)c(OCCC)c1 ZINC000772721894 581359491 /nfs/dbraw/zinc/35/94/91/581359491.db2.gz ZZPKFQAWYJCKKV-UHFFFAOYSA-N -1 0 341.429 2.510 20 30 EFEDRM COc1cccc([C@@H](C#N)NC(=O)c2c([O-])cccc2F)c1OC ZINC000772852411 581375356 /nfs/dbraw/zinc/37/53/56/581375356.db2.gz VDHLYKSMXRXOHW-GFCCVEGCSA-N -1 0 330.315 2.543 20 30 EFEDRM C[C@H](O)c1ncc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000772991571 581386096 /nfs/dbraw/zinc/38/60/96/581386096.db2.gz VHKHULKHGJDBAE-ZETCQYMHSA-N -1 0 325.777 2.994 20 30 EFEDRM COc1cc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc([N+](=O)[O-])c1[O-] ZINC000773158968 581401571 /nfs/dbraw/zinc/40/15/71/581401571.db2.gz GFFNROIDFQOYDB-QCDXTXTGSA-N -1 0 337.291 2.673 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1 ZINC000774045874 581480274 /nfs/dbraw/zinc/48/02/74/581480274.db2.gz ZSGUUGBFTBMJQV-CQSZACIVSA-N -1 0 347.390 2.803 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1 ZINC000774050302 581480533 /nfs/dbraw/zinc/48/05/33/581480533.db2.gz FPCTWGFRSBUPSB-LBPRGKRZSA-N -1 0 340.335 2.842 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C1CC1 ZINC000774056514 581480832 /nfs/dbraw/zinc/48/08/32/581480832.db2.gz SXWXMPPATOOKRR-INIZCTEOSA-N -1 0 326.396 2.954 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000774066534 581481321 /nfs/dbraw/zinc/48/13/21/581481321.db2.gz VLPGGLGLRBTQJT-UHFFFAOYSA-N -1 0 347.440 2.661 20 30 EFEDRM CS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1F ZINC000774130645 581484844 /nfs/dbraw/zinc/48/48/44/581484844.db2.gz MAGJUXBTADNPPC-ALCCZGGFSA-N -1 0 348.351 2.824 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc1 ZINC000774143083 581485466 /nfs/dbraw/zinc/48/54/66/581485466.db2.gz BGBXZNJCRJGOJS-LCYFTJDESA-N -1 0 337.331 2.759 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ns1 ZINC000774257210 581488171 /nfs/dbraw/zinc/48/81/71/581488171.db2.gz GVIWCCBTZLTDFD-LBPRGKRZSA-N -1 0 333.800 2.744 20 30 EFEDRM C#CCOc1cccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735388225 598966598 /nfs/dbraw/zinc/96/65/98/598966598.db2.gz UPHRKVSYOZHRKC-UHFFFAOYSA-N -1 0 344.334 2.614 20 30 EFEDRM CC(C)[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000817973083 597023034 /nfs/dbraw/zinc/02/30/34/597023034.db2.gz OWBBZIABUGCMMD-INIZCTEOSA-N -1 0 342.351 2.569 20 30 EFEDRM C=CCn1c(-c2cccc(C)c2)nn(CN(C)CC(=O)[O-])c1=S ZINC000738502322 597054511 /nfs/dbraw/zinc/05/45/11/597054511.db2.gz AWNVZSGEBJDHGM-UHFFFAOYSA-N -1 0 332.429 2.549 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000819051393 597093011 /nfs/dbraw/zinc/09/30/11/597093011.db2.gz NYXALYCVSVOLFZ-ZDUSSCGKSA-N -1 0 341.367 2.577 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000096567274 597145440 /nfs/dbraw/zinc/14/54/40/597145440.db2.gz DSMSZCYXBDXEFN-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)[O-] ZINC000818293590 597201390 /nfs/dbraw/zinc/20/13/90/597201390.db2.gz RTMYDOLHXFXDQP-CQSZACIVSA-N -1 0 340.339 2.730 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000817668506 597233754 /nfs/dbraw/zinc/23/37/54/597233754.db2.gz GMENRRSVAVSASH-UHFFFAOYSA-N -1 0 340.354 2.869 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)NCCCC(=O)[O-])c2)s1 ZINC000738431380 597292138 /nfs/dbraw/zinc/29/21/38/597292138.db2.gz XYWSJFNSNMQGPH-UHFFFAOYSA-N -1 0 343.408 2.951 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000818034134 597319603 /nfs/dbraw/zinc/31/96/03/597319603.db2.gz MLTUDIMXGZQCDN-NSHDSACASA-N -1 0 325.324 2.945 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)Nc3ccccc3CC(=O)[O-])CC2)c1 ZINC000821340315 597355395 /nfs/dbraw/zinc/35/53/95/597355395.db2.gz BWHMQBFRVYMTKC-UHFFFAOYSA-N -1 0 335.363 2.996 20 30 EFEDRM N#CCCn1cc(C(=O)CN2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000821324392 597436779 /nfs/dbraw/zinc/43/67/79/597436779.db2.gz DAKQOQVHCJJYJG-QGZVFWFLSA-N -1 0 339.395 2.677 20 30 EFEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC(=O)[O-] ZINC000818849232 597491944 /nfs/dbraw/zinc/49/19/44/597491944.db2.gz GZVQPXZMLCRFMZ-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)[O-])cc1F ZINC000819111496 597492238 /nfs/dbraw/zinc/49/22/38/597492238.db2.gz WJPRNQZOIGMFBY-UHFFFAOYSA-N -1 0 329.287 2.696 20 30 EFEDRM Cn1c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2nc1C(C)(C)C ZINC000821269400 597605140 /nfs/dbraw/zinc/60/51/40/597605140.db2.gz VHVNBUAROSSXBH-GOSISDBHSA-N -1 0 342.399 2.814 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000819848886 597609101 /nfs/dbraw/zinc/60/91/01/597609101.db2.gz VIDJLDRKPCHDOB-LBPRGKRZSA-N -1 0 347.115 2.670 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000819824562 597609022 /nfs/dbraw/zinc/60/90/22/597609022.db2.gz YYRRZVVOPJGQAC-YJBOKZPZSA-N -1 0 330.359 2.882 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000819847088 597609049 /nfs/dbraw/zinc/60/90/49/597609049.db2.gz JWQVSKHMSVCACK-LJQANCHMSA-N -1 0 348.362 2.969 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Cc2ccccc2)n1 ZINC000819873363 597612760 /nfs/dbraw/zinc/61/27/60/597612760.db2.gz ATMMFRZDHUXITM-QGZVFWFLSA-N -1 0 344.392 2.782 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)cc1Br ZINC000819874549 597614367 /nfs/dbraw/zinc/61/43/67/597614367.db2.gz MLNIPUGVACMMIO-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1c(Cl)ccc2cccnc21 ZINC000819875543 597617105 /nfs/dbraw/zinc/61/71/05/597617105.db2.gz YTBLTRSJIAPGTJ-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cccc2ccccc21 ZINC000819866315 597619679 /nfs/dbraw/zinc/61/96/79/597619679.db2.gz VKNPAFFRVQOEIS-SFHVURJKSA-N -1 0 325.320 2.570 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1ccc2ccccc2c1 ZINC000819864701 597621560 /nfs/dbraw/zinc/62/15/60/597621560.db2.gz BUBKUKISQPYZMG-SFHVURJKSA-N -1 0 327.336 2.766 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821248166 597621600 /nfs/dbraw/zinc/62/16/00/597621600.db2.gz GVIGKJGTDWAKRM-QGZVFWFLSA-N -1 0 328.324 2.698 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Cl)cc2cccnc21 ZINC000819875241 597622363 /nfs/dbraw/zinc/62/23/63/597622363.db2.gz VYGRZDVLXBOEDG-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(F)ccc1Br ZINC000819873989 597623355 /nfs/dbraw/zinc/62/33/55/597623355.db2.gz FYUVAGXNFBAFSB-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2cccc(F)c2)o1 ZINC000819873602 597623405 /nfs/dbraw/zinc/62/34/05/597623405.db2.gz BYJSAYNPDBKOMK-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccccc1Oc1cccnc1 ZINC000819875459 597623496 /nfs/dbraw/zinc/62/34/96/597623496.db2.gz XEYHBZVDHULMDS-SFHVURJKSA-N -1 0 340.335 2.922 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000819848294 597625925 /nfs/dbraw/zinc/62/59/25/597625925.db2.gz RSXFEAINERYHJS-CYBMUJFWSA-N -1 0 332.690 2.884 20 30 EFEDRM COc1ccc2cc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])ccc2c1 ZINC000820853324 597629400 /nfs/dbraw/zinc/62/94/00/597629400.db2.gz IUFNLBFYYRHJOB-IBGZPJMESA-N -1 0 340.379 2.811 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000819855411 597641032 /nfs/dbraw/zinc/64/10/32/597641032.db2.gz BWUXHTHFHKWINP-QGZVFWFLSA-N -1 0 326.356 2.773 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000819811681 597662696 /nfs/dbraw/zinc/66/26/96/597662696.db2.gz UJTXJMOHSGFOPZ-SCLBCKFNSA-N -1 0 332.375 2.926 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000821336280 598028022 /nfs/dbraw/zinc/02/80/22/598028022.db2.gz WYUHINDDZAWBIC-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820374028 598148601 /nfs/dbraw/zinc/14/86/01/598148601.db2.gz JUBWKEFIWLYXEI-NSHDSACASA-N -1 0 344.348 2.508 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320697 598148804 /nfs/dbraw/zinc/14/88/04/598148804.db2.gz SXGJPQBFAQAFFV-AWEZNQCLSA-N -1 0 342.738 2.999 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000821324777 598177508 /nfs/dbraw/zinc/17/75/08/598177508.db2.gz NIQTUTMMTHUWES-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000821340429 598207978 /nfs/dbraw/zinc/20/79/78/598207978.db2.gz IGNZMWZTDFYRPJ-AWEZNQCLSA-N -1 0 336.347 2.897 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000819875382 598221612 /nfs/dbraw/zinc/22/16/12/598221612.db2.gz WFHBIYBDHUGNGK-LJQANCHMSA-N -1 0 337.331 2.828 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000819865885 598221864 /nfs/dbraw/zinc/22/18/64/598221864.db2.gz PIJBVMNGQHFRNH-OAHLLOKOSA-N -1 0 333.344 2.892 20 30 EFEDRM CSc1nc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2s1 ZINC000820912666 598221986 /nfs/dbraw/zinc/22/19/86/598221986.db2.gz IOHCSTGODURGOF-AWEZNQCLSA-N -1 0 335.410 2.961 20 30 EFEDRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602061 598222202 /nfs/dbraw/zinc/22/22/02/598222202.db2.gz BIVAELZKFWGMPY-CQSZACIVSA-N -1 0 329.183 2.956 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000820113766 598222367 /nfs/dbraw/zinc/22/23/67/598222367.db2.gz GIRPKBYVLSVUOZ-YMTOWFKASA-N -1 0 328.290 2.887 20 30 EFEDRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820507178 598222963 /nfs/dbraw/zinc/22/29/63/598222963.db2.gz WHLQMXNMAYHMOW-GOSISDBHSA-N -1 0 328.368 2.958 20 30 EFEDRM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820607826 598223555 /nfs/dbraw/zinc/22/35/55/598223555.db2.gz XXZUCSRVIMWYMG-AWEZNQCLSA-N -1 0 344.289 2.548 20 30 EFEDRM Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc1Cc1ccccc1 ZINC000821176359 598224634 /nfs/dbraw/zinc/22/46/34/598224634.db2.gz SQVRPHVJXQCPJM-KRWDZBQOSA-N -1 0 343.408 2.985 20 30 EFEDRM CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820592190 598224870 /nfs/dbraw/zinc/22/48/70/598224870.db2.gz PJVHSKQWAPDGLJ-MRXNPFEDSA-N -1 0 338.791 2.572 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000819856472 598224919 /nfs/dbraw/zinc/22/49/19/598224919.db2.gz IXYXMTJCZXOASJ-INIZCTEOSA-N -1 0 349.293 2.779 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000819857188 598225220 /nfs/dbraw/zinc/22/52/20/598225220.db2.gz UHCSJRZBKGYFCH-UGSOOPFHSA-N -1 0 346.383 2.578 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000819811895 598226769 /nfs/dbraw/zinc/22/67/69/598226769.db2.gz WPEGUMGUIMOBFX-KRWDZBQOSA-N -1 0 336.338 2.675 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000820114816 598227044 /nfs/dbraw/zinc/22/70/44/598227044.db2.gz QETMIIWEQOROSP-GTNSWQLSSA-N -1 0 343.408 2.992 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000819873657 598227236 /nfs/dbraw/zinc/22/72/36/598227236.db2.gz CGTILPGTHMCGPO-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820107288 598227240 /nfs/dbraw/zinc/22/72/40/598227240.db2.gz GDOQVHWDMVOQMS-BONVTDFDSA-N -1 0 342.317 2.757 20 30 EFEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000821088537 598227321 /nfs/dbraw/zinc/22/73/21/598227321.db2.gz XSNSBZAIKVFSEY-GOSISDBHSA-N -1 0 345.399 2.923 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000819834304 598227709 /nfs/dbraw/zinc/22/77/09/598227709.db2.gz MYECOAMBGYRWPZ-QFBILLFUSA-N -1 0 344.411 2.591 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Br)ccc1F ZINC000819875547 598228204 /nfs/dbraw/zinc/22/82/04/598228204.db2.gz YUDRNSIQPHHLII-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000819856685 598228947 /nfs/dbraw/zinc/22/89/47/598228947.db2.gz LWQJEOVVEOBSEX-INIZCTEOSA-N -1 0 346.774 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000819835971 598228978 /nfs/dbraw/zinc/22/89/78/598228978.db2.gz YYAGNDNZRDBRQM-OTYXRUKQSA-N -1 0 343.166 2.548 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(OC(F)(F)F)c1 ZINC000819873857 598229128 /nfs/dbraw/zinc/22/91/28/598229128.db2.gz DTCQMHBCXQIVFR-ZDUSSCGKSA-N -1 0 331.246 2.633 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819914647 598229149 /nfs/dbraw/zinc/22/91/49/598229149.db2.gz AMHMWOGHXKENCL-SFHVURJKSA-N -1 0 346.383 2.514 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000820113944 598229237 /nfs/dbraw/zinc/22/92/37/598229237.db2.gz IWMPLDBJRSDYQW-BFUOFWGJSA-N -1 0 337.379 2.930 20 30 EFEDRM CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Oc1ccccc1Cl ZINC000820278223 598229572 /nfs/dbraw/zinc/22/95/72/598229572.db2.gz JYCKIHGKBMMCNT-MEDUHNTESA-N -1 0 338.791 2.618 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000819810389 598229865 /nfs/dbraw/zinc/22/98/65/598229865.db2.gz ANLRNFUVSRMWEP-GOSISDBHSA-N -1 0 330.359 2.836 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000820205940 598230710 /nfs/dbraw/zinc/23/07/10/598230710.db2.gz JHOLLKVQPMINLT-SJCJKPOMSA-N -1 0 334.347 2.549 20 30 EFEDRM C#CCOc1cccc([C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000736089828 599704102 /nfs/dbraw/zinc/70/41/02/599704102.db2.gz QTWLINZHBMBKHW-BBRMVZONSA-N -1 0 333.384 2.985 20 30 EFEDRM C=C(Br)CN(CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000736095442 599708957 /nfs/dbraw/zinc/70/89/57/599708957.db2.gz WYJLWJPDTVMURM-UHFFFAOYSA-N -1 0 332.194 2.725 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C#N)cn1 ZINC000736114725 599712975 /nfs/dbraw/zinc/71/29/75/599712975.db2.gz OWKOIVOJRUZLBL-UHFFFAOYSA-N -1 0 338.319 2.608 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000738963149 599718350 /nfs/dbraw/zinc/71/83/50/599718350.db2.gz ISMGCJWZBXHLAW-UHFFFAOYSA-N -1 0 343.358 2.619 20 30 EFEDRM N#CCn1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC000738425184 599723764 /nfs/dbraw/zinc/72/37/64/599723764.db2.gz KEWPEIOPTKAYJS-UHFFFAOYSA-N -1 0 333.347 2.793 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000737908657 599729091 /nfs/dbraw/zinc/72/90/91/599729091.db2.gz GDRFRVHFFOJNJQ-YNEHKIRRSA-N -1 0 342.376 2.716 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000739091064 599748337 /nfs/dbraw/zinc/74/83/37/599748337.db2.gz FCMSFSNXERHVTJ-QGZVFWFLSA-N -1 0 333.347 2.721 20 30 EFEDRM COc1ccc([C@@H](NC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])cc1 ZINC000737960150 599758891 /nfs/dbraw/zinc/75/88/91/599758891.db2.gz VFPNZWNPIYQGEA-VEGGFIAOSA-N -1 0 336.347 2.522 20 30 EFEDRM CCn1nc(C)c(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000737309106 599794218 /nfs/dbraw/zinc/79/42/18/599794218.db2.gz FPEQZFAXJBBAFV-KTKRTIGZSA-N -1 0 328.368 2.879 20 30 EFEDRM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCNC(=O)[O-])cc1 ZINC000736892588 599798435 /nfs/dbraw/zinc/79/84/35/599798435.db2.gz WHQCASYBKUHAQV-RISCZKNCSA-N -1 0 331.372 2.505 20 30 EFEDRM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)CCNC(=O)[O-])cc1 ZINC000736892582 599798558 /nfs/dbraw/zinc/79/85/58/599798558.db2.gz WHQCASYBKUHAQV-BXUZGUMPSA-N -1 0 331.372 2.505 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000736379117 599812227 /nfs/dbraw/zinc/81/22/27/599812227.db2.gz ZACTVKZAFVRWBL-QGZVFWFLSA-N -1 0 337.379 2.712 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736575351 599815909 /nfs/dbraw/zinc/81/59/09/599815909.db2.gz LSBYXMSRXBKFQJ-LBPRGKRZSA-N -1 0 342.351 2.523 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000739122983 599836004 /nfs/dbraw/zinc/83/60/04/599836004.db2.gz JGFUTLBZVAKNPQ-CYBMUJFWSA-N -1 0 341.392 2.925 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736118560 599841184 /nfs/dbraw/zinc/84/11/84/599841184.db2.gz VZICUJLOFNMGTI-ZDUSSCGKSA-N -1 0 336.461 2.764 20 30 EFEDRM N#CCn1c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc2ccccc21 ZINC000739090918 599841940 /nfs/dbraw/zinc/84/19/40/599841940.db2.gz AEKRFICRFWQKTK-CQSZACIVSA-N -1 0 325.368 2.634 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)[O-] ZINC000736108530 599867527 /nfs/dbraw/zinc/86/75/27/599867527.db2.gz XVTWHAJWPFGYRT-GFCCVEGCSA-N -1 0 332.356 2.522 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)[O-] ZINC000736108531 599867540 /nfs/dbraw/zinc/86/75/40/599867540.db2.gz XVTWHAJWPFGYRT-LBPRGKRZSA-N -1 0 332.356 2.522 20 30 EFEDRM N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1NC(=O)[O-] ZINC000739142534 599869196 /nfs/dbraw/zinc/86/91/96/599869196.db2.gz OTZLRLMMLMMWAO-UHFFFAOYSA-N -1 0 345.336 2.505 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000739123934 599883851 /nfs/dbraw/zinc/88/38/51/599883851.db2.gz ZBFOZGHETMIRCU-INIZCTEOSA-N -1 0 340.335 2.562 20 30 EFEDRM N#Cc1ccccc1NC(=S)NCCOc1ccc(C(=O)[O-])cc1 ZINC000739146580 599887239 /nfs/dbraw/zinc/88/72/39/599887239.db2.gz IDPDYYZRMMQRPZ-UHFFFAOYSA-N -1 0 341.392 2.622 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000737202610 599917240 /nfs/dbraw/zinc/91/72/40/599917240.db2.gz HNKYUHDEVDEUAH-UHFFFAOYSA-N -1 0 333.388 2.722 20 30 EFEDRM N#CCn1c(C(=O)Nc2cccc(C(=O)[O-])c2O)cc2ccccc21 ZINC000739093213 599949205 /nfs/dbraw/zinc/94/92/05/599949205.db2.gz MJTUBSLZTQJKOE-UHFFFAOYSA-N -1 0 335.319 2.821 20 30 EFEDRM C#Cc1cccc(N(C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000736090695 599964444 /nfs/dbraw/zinc/96/44/44/599964444.db2.gz HEALOENOMSLKLL-UHFFFAOYSA-N -1 0 333.347 2.651 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000736091003 599983038 /nfs/dbraw/zinc/98/30/38/599983038.db2.gz MLYGUWPIDDHUAE-UHFFFAOYSA-N -1 0 343.404 2.722 20 30 EFEDRM CC[C@H](C)N1C(=O)N[C@@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736881845 599984774 /nfs/dbraw/zinc/98/47/74/599984774.db2.gz CCMNXHRPGHAQIK-ZBEGNZNMSA-N -1 0 343.383 2.812 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000739073496 599993257 /nfs/dbraw/zinc/99/32/57/599993257.db2.gz SZVUENSPLSHETR-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2ccc(F)cc2C#N)c(C)c1C(=O)[O-] ZINC000737245664 599993947 /nfs/dbraw/zinc/99/39/47/599993947.db2.gz MPLGIUJQGYIIHG-UHFFFAOYSA-N -1 0 330.315 2.952 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000738708493 600009409 /nfs/dbraw/zinc/00/94/09/600009409.db2.gz PCQQMZBZMBIHGX-INIZCTEOSA-N -1 0 337.379 2.932 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736701293 600026116 /nfs/dbraw/zinc/02/61/16/600026116.db2.gz TVWOVMZQXDQILQ-LBPRGKRZSA-N -1 0 325.320 2.558 20 30 EFEDRM N#Cc1cn(Cc2cc(C(=O)[O-])co2)c2ccc(Cl)cc2c1=O ZINC000739142495 600026950 /nfs/dbraw/zinc/02/69/50/600026950.db2.gz NMKNOQCMFDWNSW-UHFFFAOYSA-N -1 0 328.711 2.866 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736706288 600028710 /nfs/dbraw/zinc/02/87/10/600028710.db2.gz AQDXYTUXVDVSQV-GFCCVEGCSA-N -1 0 325.320 2.558 20 30 EFEDRM O=C([O-])c1occc1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000740282004 600030066 /nfs/dbraw/zinc/03/00/66/600030066.db2.gz POQFJKRYGDTGOG-IWQZZHSRSA-N -1 0 327.214 2.993 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cccc(C#N)c3)nc2n1 ZINC000738346610 600049891 /nfs/dbraw/zinc/04/98/91/600049891.db2.gz ZDPIVEKMCRZFGP-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3sccc3C#N)nc2n1 ZINC000738346616 600049967 /nfs/dbraw/zinc/04/99/67/600049967.db2.gz ZLGHGKIPUKYZCQ-UHFFFAOYSA-N -1 0 344.377 2.883 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC000736092355 600060367 /nfs/dbraw/zinc/06/03/67/600060367.db2.gz FSVHXKZKJYIXMT-UHFFFAOYSA-N -1 0 326.377 2.954 20 30 EFEDRM N#Cc1ccc(CNC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000739118086 600080564 /nfs/dbraw/zinc/08/05/64/600080564.db2.gz MAMABGTWZCCCAD-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM O=C([O-])c1cc(F)ccc1CON=CC(=O)Nc1ccc(F)cc1 ZINC000739217659 600080961 /nfs/dbraw/zinc/08/09/61/600080961.db2.gz ZHYVBBMCCAZXHP-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM C[C@@H](C(=O)Nc1ccccc1C#N)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736217704 600083644 /nfs/dbraw/zinc/08/36/44/600083644.db2.gz FDYWWZAZTTUXFK-LBPRGKRZSA-N -1 0 335.363 2.599 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1sccc1C#N ZINC000737176030 600084118 /nfs/dbraw/zinc/08/41/18/600084118.db2.gz HDXFVTDLWGSPDU-UHFFFAOYSA-N -1 0 348.380 2.590 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000739146513 600099980 /nfs/dbraw/zinc/09/99/80/600099980.db2.gz GIXAUAXFORZHJH-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#Cc1cccc(OCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000739139317 600115801 /nfs/dbraw/zinc/11/58/01/600115801.db2.gz FSDUSXYZOYUDJH-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM Cc1ccc(OC(=O)[C@@H](C)Oc2ccccc2C#N)c(C(=O)[O-])c1 ZINC000738636512 600133355 /nfs/dbraw/zinc/13/33/55/600133355.db2.gz OUPCUIYBUJPJBF-GFCCVEGCSA-N -1 0 325.320 2.938 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C(C)(C)C(=O)[O-] ZINC000736545016 600134423 /nfs/dbraw/zinc/13/44/23/600134423.db2.gz NDJDCISOSFWWNE-GFCCVEGCSA-N -1 0 349.456 2.814 20 30 EFEDRM C=CCOc1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000736114211 600139528 /nfs/dbraw/zinc/13/95/28/600139528.db2.gz OATNHVQQSJOFJL-UHFFFAOYSA-N -1 0 330.292 2.582 20 30 EFEDRM C#CCOc1ccccc1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736088620 600149238 /nfs/dbraw/zinc/14/92/38/600149238.db2.gz XNTWPGMSAPBJKF-UHFFFAOYSA-N -1 0 349.342 2.957 20 30 EFEDRM COc1ccc(O)c(/C=N\[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000738042365 600153625 /nfs/dbraw/zinc/15/36/25/600153625.db2.gz RZNRILZNHXFZSJ-BYINCCNUSA-N -1 0 338.363 2.997 20 30 EFEDRM CC(C)(C)CN(CCC#N)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736260437 600157225 /nfs/dbraw/zinc/15/72/25/600157225.db2.gz FSNHVGZIDNXBFB-UHFFFAOYSA-N -1 0 342.399 2.795 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000738554229 600166063 /nfs/dbraw/zinc/16/60/63/600166063.db2.gz LAHOBKNDCFNEET-GOSISDBHSA-N -1 0 336.391 2.784 20 30 EFEDRM N#Cc1cc2c(nc1SCc1noc(CCC(=O)[O-])n1)CCCC2 ZINC000739099045 600185672 /nfs/dbraw/zinc/18/56/72/600185672.db2.gz PPNLGLBXWRPOFC-UHFFFAOYSA-N -1 0 344.396 2.525 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccncc1 ZINC000736096071 600189763 /nfs/dbraw/zinc/18/97/63/600189763.db2.gz HNCADTVOCBYNQY-LSDHHAIUSA-N -1 0 329.400 2.595 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737839820 600190104 /nfs/dbraw/zinc/19/01/04/600190104.db2.gz OTCCHRUCSBEQPA-UHFFFAOYSA-N -1 0 343.295 2.526 20 30 EFEDRM N#CC1(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)CCCCC1 ZINC000739065934 600207140 /nfs/dbraw/zinc/20/71/40/600207140.db2.gz FFLIJRUZHUBILX-UHFFFAOYSA-N -1 0 335.791 2.793 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739122591 600207970 /nfs/dbraw/zinc/20/79/70/600207970.db2.gz IROFLZOZNCUPFX-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccc2ncc(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)n2c1 ZINC000739131606 600246370 /nfs/dbraw/zinc/24/63/70/600246370.db2.gz AVMLUKZLSRFAAP-QPJJXVBHSA-N -1 0 347.330 2.565 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000738085576 600247890 /nfs/dbraw/zinc/24/78/90/600247890.db2.gz PIMBCRGTGLXQCX-NSHDSACASA-N -1 0 341.319 2.638 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000737012684 600248537 /nfs/dbraw/zinc/24/85/37/600248537.db2.gz MMCKOUVFJRHLEQ-UHFFFAOYSA-N -1 0 339.351 2.682 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000736847372 600257586 /nfs/dbraw/zinc/25/75/86/600257586.db2.gz BVYKGYKWBUKAOP-MRXNPFEDSA-N -1 0 338.363 2.996 20 30 EFEDRM C=CC[C@H](C)NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736095893 600266327 /nfs/dbraw/zinc/26/63/27/600266327.db2.gz CKCXELVABJYCIF-KBPBESRZSA-N -1 0 331.416 2.570 20 30 EFEDRM CN(Cc1ccc(NCc2cnc3ccc(C#N)cn23)cc1)C(=O)[O-] ZINC000737485796 600267354 /nfs/dbraw/zinc/26/73/54/600267354.db2.gz GDNVAHONYAVKNH-UHFFFAOYSA-N -1 0 335.367 2.928 20 30 EFEDRM N#CCSc1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405347990 600272090 /nfs/dbraw/zinc/27/20/90/600272090.db2.gz WPYPEUZIDAHQOB-ZDUSSCGKSA-N -1 0 330.409 2.629 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736114328 600272595 /nfs/dbraw/zinc/27/25/95/600272595.db2.gz SMTUNVRLIFDBNB-UHFFFAOYSA-N -1 0 328.368 2.825 20 30 EFEDRM CC(=NOCc1noc(CCC(=O)[O-])n1)c1cc2ccccc2o1 ZINC000736127255 600282058 /nfs/dbraw/zinc/28/20/58/600282058.db2.gz UFSHJVYHMSCAKF-UHFFFAOYSA-N -1 0 329.312 2.774 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736706301 600289456 /nfs/dbraw/zinc/28/94/56/600289456.db2.gz BDBYQWJJOJUXFT-LBPRGKRZSA-N -1 0 339.351 2.732 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736108324 600326563 /nfs/dbraw/zinc/32/65/63/600326563.db2.gz UMCUWDOLTJVMFX-AWEZNQCLSA-N -1 0 331.416 2.797 20 30 EFEDRM N#Cc1ccc(NCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739121927 600327810 /nfs/dbraw/zinc/32/78/10/600327810.db2.gz ZWZKRQAVWDOLNZ-MRXNPFEDSA-N -1 0 344.754 2.993 20 30 EFEDRM C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000736641019 600336280 /nfs/dbraw/zinc/33/62/80/600336280.db2.gz BAYYJVIJLUPMPK-WFASDCNBSA-N -1 0 327.384 2.516 20 30 EFEDRM C=CCOc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736113742 600337493 /nfs/dbraw/zinc/33/74/93/600337493.db2.gz CROJXLZXPFRNOJ-OAHLLOKOSA-N -1 0 330.384 2.970 20 30 EFEDRM C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000736691425 600369266 /nfs/dbraw/zinc/36/92/66/600369266.db2.gz GAJKCJSTZSAAOW-LLVKDONJSA-N -1 0 329.308 2.727 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739088206 600369558 /nfs/dbraw/zinc/36/95/58/600369558.db2.gz PSSQVFKYEKLWAU-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000736853571 600380513 /nfs/dbraw/zinc/38/05/13/600380513.db2.gz VGENCXOBUQBOTP-KRWDZBQOSA-N -1 0 338.363 2.833 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736850419 600400043 /nfs/dbraw/zinc/40/00/43/600400043.db2.gz HRQPJISUDZEEPX-INIZCTEOSA-N -1 0 344.392 2.617 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCCOc1cccc(Cl)c1Cl ZINC000739076939 600404735 /nfs/dbraw/zinc/40/47/35/600404735.db2.gz FFGICBPWXCCOAY-UHFFFAOYSA-N -1 0 345.182 2.589 20 30 EFEDRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CC#N)CC(=O)[O-] ZINC000736712170 600406369 /nfs/dbraw/zinc/40/63/69/600406369.db2.gz JQQRWONUPMMUAL-QMMMGPOBSA-N -1 0 347.223 2.911 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000739079578 600408171 /nfs/dbraw/zinc/40/81/71/600408171.db2.gz ZMXXZTCSGWNVRM-UHFFFAOYSA-N -1 0 345.358 2.952 20 30 EFEDRM N#CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000739070074 600409861 /nfs/dbraw/zinc/40/98/61/600409861.db2.gz XDDTYZGVQXHLBN-UHFFFAOYSA-N -1 0 327.287 2.802 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736700858 600447184 /nfs/dbraw/zinc/44/71/84/600447184.db2.gz NUDRPVJIIIHMIP-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000739074301 600459791 /nfs/dbraw/zinc/45/97/91/600459791.db2.gz HTGXMKHSUIZNLA-LLVKDONJSA-N -1 0 347.421 2.589 20 30 EFEDRM C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000736107384 600513539 /nfs/dbraw/zinc/51/35/39/600513539.db2.gz WOUHRPLFBVTWPH-UHFFFAOYSA-N -1 0 337.807 2.810 20 30 EFEDRM C=CCCSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCCOC ZINC000736108491 600515212 /nfs/dbraw/zinc/51/52/12/600515212.db2.gz VNUBTBHSFRHCAY-UHFFFAOYSA-N -1 0 348.424 2.799 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736087705 600540198 /nfs/dbraw/zinc/54/01/98/600540198.db2.gz IYHLZNDUTKWSIT-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000737195285 600542623 /nfs/dbraw/zinc/54/26/23/600542623.db2.gz XBWSYXKQIIIBAZ-UHFFFAOYSA-N -1 0 329.312 2.570 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ncccn3)c2)c1 ZINC000740212640 600546376 /nfs/dbraw/zinc/54/63/76/600546376.db2.gz NYWCBDSNFNBPDL-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NCCC(=O)[O-])cc1 ZINC000739143244 600550438 /nfs/dbraw/zinc/55/04/38/600550438.db2.gz ZYLHOWXGGUTTCI-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM C[C@](C#N)(NC(=O)c1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000736201601 600552771 /nfs/dbraw/zinc/55/27/71/600552771.db2.gz JFGOMXIBXIVCSW-GOSISDBHSA-N -1 0 330.384 2.742 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000739106398 600564332 /nfs/dbraw/zinc/56/43/32/600564332.db2.gz RTTQZCFIOJUAFV-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cc(F)c(F)cc1F ZINC000738922783 600567617 /nfs/dbraw/zinc/56/76/17/600567617.db2.gz LOXPLCIMDXOFRX-UHFFFAOYSA-N -1 0 340.305 2.838 20 30 EFEDRM Cc1csc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)n1 ZINC000738817122 600567859 /nfs/dbraw/zinc/56/78/59/600567859.db2.gz UCVVLKZOVYWYLE-HUUCEWRRSA-N -1 0 343.408 2.522 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000739103446 600567974 /nfs/dbraw/zinc/56/79/74/600567974.db2.gz AYSYPXAFTFUZJX-MSOLQXFVSA-N -1 0 340.354 2.897 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)nc1 ZINC000736490669 600571092 /nfs/dbraw/zinc/57/10/92/600571092.db2.gz BFFKBUJYFQTZGP-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CCN(CC(=O)[O-])C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000737076043 600572156 /nfs/dbraw/zinc/57/21/56/600572156.db2.gz NHONMSDWAGOVPF-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM CCN(CC(=O)[O-])C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000737076622 600572205 /nfs/dbraw/zinc/57/22/05/600572205.db2.gz WYTBHTIXDANIPS-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736764694 600586752 /nfs/dbraw/zinc/58/67/52/600586752.db2.gz VZTWNOSXWYAMLT-BWAOXVRWSA-N -1 0 326.462 2.902 20 30 EFEDRM COc1cc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737894927 600590495 /nfs/dbraw/zinc/59/04/95/600590495.db2.gz CYNHUURSOHAAGU-MRXNPFEDSA-N -1 0 342.351 2.822 20 30 EFEDRM COc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737894922 600590669 /nfs/dbraw/zinc/59/06/69/600590669.db2.gz CYNHUURSOHAAGU-INIZCTEOSA-N -1 0 342.351 2.822 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc3c(c2)NC(=O)CS3)C(=O)[O-])cc1 ZINC000739112232 600591943 /nfs/dbraw/zinc/59/19/43/600591943.db2.gz YHBFNPGZOXHKBO-MRXNPFEDSA-N -1 0 339.376 2.840 20 30 EFEDRM COCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737829035 600593792 /nfs/dbraw/zinc/59/37/92/600593792.db2.gz OGRNTLJQUUBIJG-KRWDZBQOSA-N -1 0 326.352 2.821 20 30 EFEDRM COC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737631507 600595514 /nfs/dbraw/zinc/59/55/14/600595514.db2.gz ABKGDLUZGMMNJO-MRXNPFEDSA-N -1 0 339.351 2.999 20 30 EFEDRM COCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737822506 600595760 /nfs/dbraw/zinc/59/57/60/600595760.db2.gz VOKMUIGNMZZOPU-KRWDZBQOSA-N -1 0 344.342 2.960 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000736175651 600602756 /nfs/dbraw/zinc/60/27/56/600602756.db2.gz IBJKKAXXUFTNPH-INIZCTEOSA-N -1 0 340.335 2.689 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000736175656 600602987 /nfs/dbraw/zinc/60/29/87/600602987.db2.gz IBJKKAXXUFTNPH-MRXNPFEDSA-N -1 0 340.335 2.689 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000739110566 600604346 /nfs/dbraw/zinc/60/43/46/600604346.db2.gz RBVPMDJAVMUCOS-SFHVURJKSA-N -1 0 337.331 2.890 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000739115494 600604441 /nfs/dbraw/zinc/60/44/41/600604441.db2.gz RLCYFJDBNCLLRJ-LBPRGKRZSA-N -1 0 332.293 2.511 20 30 EFEDRM Cc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738785850 600604783 /nfs/dbraw/zinc/60/47/83/600604783.db2.gz XGFIIGOQZVYRGQ-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM C[C@@H](CS[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000736616454 600605085 /nfs/dbraw/zinc/60/50/85/600605085.db2.gz LBKQWANIMWAQNS-DTWKUNHWSA-N -1 0 326.805 2.993 20 30 EFEDRM C[C@@H](CS[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000736616455 600605153 /nfs/dbraw/zinc/60/51/53/600605153.db2.gz LBKQWANIMWAQNS-IUCAKERBSA-N -1 0 326.805 2.993 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3ccccc3oc2=O)C(=O)[O-])cc1 ZINC000739115092 600605149 /nfs/dbraw/zinc/60/51/49/600605149.db2.gz NSZGZZLRBRZKOQ-INIZCTEOSA-N -1 0 349.298 2.647 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)cc2N)C(=O)[O-])cc1 ZINC000739116062 600605603 /nfs/dbraw/zinc/60/56/03/600605603.db2.gz YPJWQGLKOYGIMQ-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM C[C@@H](CS[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000736614429 600606273 /nfs/dbraw/zinc/60/62/73/600606273.db2.gz CNJXGGGSGFDOBQ-DTWKUNHWSA-N -1 0 338.454 2.889 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3ccccc3c(=O)[nH]2)C(=O)[O-])cc1 ZINC000739115507 600606359 /nfs/dbraw/zinc/60/63/59/600606359.db2.gz RXPWERYRQNNXRC-INIZCTEOSA-N -1 0 348.314 2.795 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736109315 600607343 /nfs/dbraw/zinc/60/73/43/600607343.db2.gz HLMTXGUMGRUKPT-ZDUSSCGKSA-N -1 0 343.364 2.595 20 30 EFEDRM COc1cc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737883594 600608653 /nfs/dbraw/zinc/60/86/53/600608653.db2.gz OHQNKQNXHMIETQ-GOSISDBHSA-N -1 0 339.347 2.787 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])cc1 ZINC000739111691 600609938 /nfs/dbraw/zinc/60/99/38/600609938.db2.gz VYBDZOBHLVHIFJ-BBVFFXRHSA-N -1 0 332.315 2.812 20 30 EFEDRM C[C@@H](Oc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736706763 600610511 /nfs/dbraw/zinc/61/05/11/600610511.db2.gz FTQGLCURBPNNFW-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM CO[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737723774 600611662 /nfs/dbraw/zinc/61/16/62/600611662.db2.gz NYLRLXJHRSIIMB-CVEARBPZSA-N -1 0 325.320 2.615 20 30 EFEDRM N#Cc1nccnc1NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739144883 600612071 /nfs/dbraw/zinc/61/20/71/600612071.db2.gz BRUNYQLEKPBCPQ-INIZCTEOSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])cc1 ZINC000739113995 600615112 /nfs/dbraw/zinc/61/51/12/600615112.db2.gz DXSIZYKXCBXMPU-CQSZACIVSA-N -1 0 333.246 2.525 20 30 EFEDRM CCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000737282306 600615693 /nfs/dbraw/zinc/61/56/93/600615693.db2.gz WSEVBBRCOLMXOU-CYBMUJFWSA-N -1 0 330.365 2.868 20 30 EFEDRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736781893 600617705 /nfs/dbraw/zinc/61/77/05/600617705.db2.gz SWQRZXALBHHKSV-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccncc1 ZINC000736095877 600638070 /nfs/dbraw/zinc/63/80/70/600638070.db2.gz CHZDUDKNBXFLDT-OAHLLOKOSA-N -1 0 346.408 2.684 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC000736243556 600643292 /nfs/dbraw/zinc/64/32/92/600643292.db2.gz WLFDQIUHDHVVTQ-MRXNPFEDSA-N -1 0 332.400 2.723 20 30 EFEDRM Cc1cc(OS(=O)(=O)Cc2cccc(C#N)c2)c(C(=O)[O-])s1 ZINC000738475403 600652216 /nfs/dbraw/zinc/65/22/16/600652216.db2.gz ZMQQKZBLALKPRM-UHFFFAOYSA-N -1 0 337.378 2.535 20 30 EFEDRM C=CC1CCN(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)CC1 ZINC000825659739 600657676 /nfs/dbraw/zinc/65/76/76/600657676.db2.gz CFXMIJSESGBHKY-UHFFFAOYSA-N -1 0 332.356 2.601 20 30 EFEDRM COc1cc(NCCOc2cccc(C#N)c2)c(C(=O)[O-])cc1OC ZINC000737896567 600675016 /nfs/dbraw/zinc/67/50/16/600675016.db2.gz ULWMWERZGSTYRL-UHFFFAOYSA-N -1 0 342.351 2.765 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000738649964 600722344 /nfs/dbraw/zinc/72/23/44/600722344.db2.gz UTBLCIZRJZYCSN-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM N#CCOc1ccc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)cc1 ZINC000833068275 600732704 /nfs/dbraw/zinc/73/27/04/600732704.db2.gz UKAUPBLPLSBPDR-UHFFFAOYSA-N -1 0 342.307 2.741 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000825671389 600756213 /nfs/dbraw/zinc/75/62/13/600756213.db2.gz OIRYLKAARRQIAE-UHFFFAOYSA-N -1 0 325.430 2.893 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000013073464 600766188 /nfs/dbraw/zinc/76/61/88/600766188.db2.gz MQHQGEQHJSYVIX-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC000832859723 600777735 /nfs/dbraw/zinc/77/77/35/600777735.db2.gz URZDKHOLJSVJOC-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000827695401 600790659 /nfs/dbraw/zinc/79/06/59/600790659.db2.gz RULOXBVRFLEKOR-JTQLQIEISA-N -1 0 339.307 2.656 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000825702110 600794403 /nfs/dbraw/zinc/79/44/03/600794403.db2.gz DYCMERRSMLXRFG-UHFFFAOYSA-N -1 0 340.378 2.779 20 30 EFEDRM CC(C)N(CC(F)(F)F)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC000826940605 600800549 /nfs/dbraw/zinc/80/05/49/600800549.db2.gz QDFVKRCMTMOCMB-UHFFFAOYSA-N -1 0 346.305 2.535 20 30 EFEDRM N#Cc1cccc(-c2nnc(COc3ccc(CC(=O)[O-])cc3)o2)c1 ZINC000833074443 600802208 /nfs/dbraw/zinc/80/22/08/600802208.db2.gz YEQRQFYJCOVLCG-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM C=CCOc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000825699364 600808267 /nfs/dbraw/zinc/80/82/67/600808267.db2.gz XZIYYKZSZRNTQK-UHFFFAOYSA-N -1 0 327.336 2.967 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237985962 600829405 /nfs/dbraw/zinc/82/94/05/600829405.db2.gz PRTGJRVIUITGRJ-AWEZNQCLSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736077138 600835329 /nfs/dbraw/zinc/83/53/29/600835329.db2.gz YNLCYBKWFAHXJE-QGZVFWFLSA-N -1 0 341.338 2.784 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 ZINC000736228080 600881309 /nfs/dbraw/zinc/88/13/09/600881309.db2.gz FXHKEZLJWGQODL-UHFFFAOYSA-N -1 0 338.363 2.938 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736089761 600884467 /nfs/dbraw/zinc/88/44/67/600884467.db2.gz POCUZSFXDUOHOG-UHFFFAOYSA-N -1 0 343.310 2.553 20 30 EFEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H](C)C#N ZINC000825966520 600921063 /nfs/dbraw/zinc/92/10/63/600921063.db2.gz GBQUTDMJRMXPHX-NWDGAFQWSA-N -1 0 327.340 2.622 20 30 EFEDRM C[C@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000825966519 600921197 /nfs/dbraw/zinc/92/11/97/600921197.db2.gz GBQUTDMJRMXPHX-NEPJUHHUSA-N -1 0 327.340 2.622 20 30 EFEDRM C=CCc1cc(C(=O)NC(CC)(CC)C(=O)[O-])cc(OC)c1OC ZINC000808518738 600921727 /nfs/dbraw/zinc/92/17/27/600921727.db2.gz HADFKNLHIOQPOX-UHFFFAOYSA-N -1 0 335.400 2.806 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833070544 600951313 /nfs/dbraw/zinc/95/13/13/600951313.db2.gz LWZONZKUISBZPB-KBPBESRZSA-N -1 0 338.367 2.573 20 30 EFEDRM C[C@H](C#N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000825967423 600961883 /nfs/dbraw/zinc/96/18/83/600961883.db2.gz WNWWDSGMRZHVJG-SECBINFHSA-N -1 0 329.183 2.609 20 30 EFEDRM N#CCSc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000833068752 600990269 /nfs/dbraw/zinc/99/02/69/600990269.db2.gz CDPHWTNBMZHEJD-ZDUSSCGKSA-N -1 0 347.440 2.570 20 30 EFEDRM COCCN(CCC#N)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000831725303 601017564 /nfs/dbraw/zinc/01/75/64/601017564.db2.gz UCLVFDDIOWTSBG-UHFFFAOYSA-N -1 0 345.424 2.870 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000739077534 601020217 /nfs/dbraw/zinc/02/02/17/601020217.db2.gz PNUGPLXTSKNXEW-SFHVURJKSA-N -1 0 336.391 2.840 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000739077848 601020396 /nfs/dbraw/zinc/02/03/96/601020396.db2.gz UTTRBVGSJVSZTP-NWDGAFQWSA-N -1 0 327.167 2.534 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(OC)c(C#N)c2)C(C(=O)[O-])=C1C ZINC000736883354 601045297 /nfs/dbraw/zinc/04/52/97/601045297.db2.gz MZVLOEJHTCTHND-QLJPJBMISA-N -1 0 343.383 2.790 20 30 EFEDRM N#CCSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324919400 601067340 /nfs/dbraw/zinc/06/73/40/601067340.db2.gz RMTOEVYLGFJSLI-OAHLLOKOSA-N -1 0 340.404 2.900 20 30 EFEDRM N#CCn1c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000738426050 601069388 /nfs/dbraw/zinc/06/93/88/601069388.db2.gz RXOFBDARDLIQLI-MRXNPFEDSA-N -1 0 347.374 2.763 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cn1 ZINC000825636962 601091840 /nfs/dbraw/zinc/09/18/40/601091840.db2.gz XXKDKXWTMLNZCF-WBVHZDCISA-N -1 0 326.396 2.559 20 30 EFEDRM COc1ccc(CNc2cc(C#N)nc3ccccc32)cc1C(=O)[O-] ZINC000738008813 601092480 /nfs/dbraw/zinc/09/24/80/601092480.db2.gz QPOIFSRWDQBDOL-UHFFFAOYSA-N -1 0 333.347 2.847 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827896747 601099963 /nfs/dbraw/zinc/09/99/63/601099963.db2.gz ZGKDCLCTUXEPCO-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000737057074 601111701 /nfs/dbraw/zinc/11/17/01/601111701.db2.gz AYTRSWNHUOGZLC-UHFFFAOYSA-N -1 0 339.307 2.831 20 30 EFEDRM CN(CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C(=O)[O-] ZINC000830701897 601115227 /nfs/dbraw/zinc/11/52/27/601115227.db2.gz HUYFPXKWWKVCLK-UHFFFAOYSA-N -1 0 327.384 2.533 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000825682307 601116616 /nfs/dbraw/zinc/11/66/16/601116616.db2.gz WVUFELKMNXGYDM-CYBMUJFWSA-N -1 0 346.383 2.547 20 30 EFEDRM N#CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833068266 601118163 /nfs/dbraw/zinc/11/81/63/601118163.db2.gz UACAQBDGDDTFNM-OAHLLOKOSA-N -1 0 329.283 2.711 20 30 EFEDRM COCCON=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000831767057 601149986 /nfs/dbraw/zinc/14/99/86/601149986.db2.gz FYQLZYRTZPEQOB-UHFFFAOYSA-N -1 0 329.352 2.961 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cn2ccccc12 ZINC000833068746 601181484 /nfs/dbraw/zinc/18/14/84/601181484.db2.gz BYPKGQLAGNDMMR-STQMWFEESA-N -1 0 326.352 2.745 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cn2ccccc12 ZINC000833068745 601181583 /nfs/dbraw/zinc/18/15/83/601181583.db2.gz BYPKGQLAGNDMMR-QWHCGFSZSA-N -1 0 326.352 2.745 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833070755 601188181 /nfs/dbraw/zinc/18/81/81/601188181.db2.gz AXKZDLSHLJXKRS-GJZGRUSLSA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccccn3)no2)C(=O)[O-])cc1 ZINC000833073090 601194862 /nfs/dbraw/zinc/19/48/62/601194862.db2.gz VKYJNGMNGIARMC-MRXNPFEDSA-N -1 0 349.302 2.591 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC#N)CC(C)C)c1C ZINC000321173726 601236592 /nfs/dbraw/zinc/23/65/92/601236592.db2.gz LNLMPBQBEYELBO-UHFFFAOYSA-N -1 0 338.429 2.562 20 30 EFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832970391 601236677 /nfs/dbraw/zinc/23/66/77/601236677.db2.gz JAYMZHYPFGXKDG-GZBFAFLISA-N -1 0 328.368 2.533 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C#N)s2)C(=O)[O-])c1 ZINC000832969849 601283903 /nfs/dbraw/zinc/28/39/03/601283903.db2.gz PMJJDCDVWDYPOG-ZDUSSCGKSA-N -1 0 328.393 2.602 20 30 EFEDRM O=C(C#Cc1ccccc1)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000833092015 601284094 /nfs/dbraw/zinc/28/40/94/601284094.db2.gz KXOSWSPYEDOZNM-UHFFFAOYSA-N -1 0 337.360 2.827 20 30 EFEDRM CC(C)NC(=O)c1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976126 601301730 /nfs/dbraw/zinc/30/17/30/601301730.db2.gz KQGXJRNRSZLGDF-QGZVFWFLSA-N -1 0 337.379 2.934 20 30 EFEDRM COCCOCc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831766961 601302027 /nfs/dbraw/zinc/30/20/27/601302027.db2.gz BUIJXRRLBCJAEO-SFHVURJKSA-N -1 0 340.379 2.959 20 30 EFEDRM COC(=O)[C@@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000831084862 601302072 /nfs/dbraw/zinc/30/20/72/601302072.db2.gz UGVYYHDYTLIVTE-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM COC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831210916 601302201 /nfs/dbraw/zinc/30/22/01/601302201.db2.gz XABQTQFWMLRIHP-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM CC(C)c1ncc2c(n1)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC000827158565 601316185 /nfs/dbraw/zinc/31/61/85/601316185.db2.gz LVBDBJIHISSTHT-QGZVFWFLSA-N -1 0 336.395 2.656 20 30 EFEDRM Cn1cc(NC(=O)CCCCOc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000833045642 601316794 /nfs/dbraw/zinc/31/67/94/601316794.db2.gz PCJFVYUXQGXZCE-UHFFFAOYSA-N -1 0 341.367 2.783 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000024346771 601319854 /nfs/dbraw/zinc/31/98/54/601319854.db2.gz FCMDQDTYAOXNOB-DHZHZOJOSA-N -1 0 327.361 2.567 20 30 EFEDRM CN(Cc1nc2ccccc2n1C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830879553 601323988 /nfs/dbraw/zinc/32/39/88/601323988.db2.gz PAZAKFWPAZWWMP-SFHVURJKSA-N -1 0 334.379 2.703 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)nnn1-c1ccc(C)cc1 ZINC000832910071 601331513 /nfs/dbraw/zinc/33/15/13/601331513.db2.gz ZOCHRGRGYOYHIU-POHAHGRESA-N -1 0 336.351 2.807 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)nnn1-c1ccc(C)cc1 ZINC000832910073 601331592 /nfs/dbraw/zinc/33/15/92/601331592.db2.gz ZOCHRGRGYOYHIU-UXBLZVDNSA-N -1 0 336.351 2.807 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)[nH]1 ZINC000833312636 601332340 /nfs/dbraw/zinc/33/23/40/601332340.db2.gz SANODITZTZQTMM-DJWKRKHSSA-N -1 0 326.230 2.728 20 30 EFEDRM COc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832292853 601343958 /nfs/dbraw/zinc/34/39/58/601343958.db2.gz QERCNWQRRHSSFZ-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000832212594 601344007 /nfs/dbraw/zinc/34/40/07/601344007.db2.gz JAVIOMXEMXVXOX-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1cccc(OC)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832567615 601344205 /nfs/dbraw/zinc/34/42/05/601344205.db2.gz LDXDXXMPVWAYBG-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1cc(C)cc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832879075 601344481 /nfs/dbraw/zinc/34/44/81/601344481.db2.gz RJAMITAWXKCASX-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832213927 601345047 /nfs/dbraw/zinc/34/50/47/601345047.db2.gz WNTVQGINGVHFBX-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1ccc(OC)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832431984 601346632 /nfs/dbraw/zinc/34/66/32/601346632.db2.gz WZECLIWCKNFCOD-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832951201 601346708 /nfs/dbraw/zinc/34/67/08/601346708.db2.gz LAZDCOYGPDIZTG-QGZVFWFLSA-N -1 0 325.320 2.615 20 30 EFEDRM CC(=O)c1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825946893 601349080 /nfs/dbraw/zinc/34/90/80/601349080.db2.gz WEFFGKZHUMIHOX-GOSISDBHSA-N -1 0 337.331 2.672 20 30 EFEDRM CO[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000831479280 601349352 /nfs/dbraw/zinc/34/93/52/601349352.db2.gz LVKPNGCWDMCHLD-JKSUJKDBSA-N -1 0 325.320 2.615 20 30 EFEDRM CO[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000831479271 601349433 /nfs/dbraw/zinc/34/94/33/601349433.db2.gz LVKPNGCWDMCHLD-CVEARBPZSA-N -1 0 325.320 2.615 20 30 EFEDRM Cc1nc2ccccc2n1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833005482 601349713 /nfs/dbraw/zinc/34/97/13/601349713.db2.gz BJEQQCFCDDWJPU-SFHVURJKSA-N -1 0 349.346 2.586 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(O)c1C ZINC000832918456 601350298 /nfs/dbraw/zinc/35/02/98/601350298.db2.gz KKHLFAVLJOCRQM-MRXNPFEDSA-N -1 0 325.320 2.863 20 30 EFEDRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC000832774175 601350301 /nfs/dbraw/zinc/35/03/01/601350301.db2.gz DDVSNXSCWBDTMM-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832959088 601351287 /nfs/dbraw/zinc/35/12/87/601351287.db2.gz YZLJCGLXOVDONO-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(O)cccc2Cl)C(=O)[O-])c1 ZINC000833077315 601351539 /nfs/dbraw/zinc/35/15/39/601351539.db2.gz PDXBALQPOLIJPX-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM Cc1nc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832998539 601354162 /nfs/dbraw/zinc/35/41/62/601354162.db2.gz ICNVFCHTWHBECM-HNNXBMFYSA-N -1 0 330.365 2.625 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(N3CC=CC3)cc2)C(=O)[O-])c1 ZINC000833077454 601355029 /nfs/dbraw/zinc/35/50/29/601355029.db2.gz SYHJWXDJHBCRMG-GOSISDBHSA-N -1 0 348.358 2.917 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccccn3)no2)C(=O)[O-])c1 ZINC000833076852 601355888 /nfs/dbraw/zinc/35/58/88/601355888.db2.gz IWDKQROPPMKQMV-MRXNPFEDSA-N -1 0 349.302 2.591 20 30 EFEDRM Cc1ncc(CO)c(/C=N/[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1O ZINC000833008672 601365913 /nfs/dbraw/zinc/36/59/13/601365913.db2.gz OQWZNJSWTXEJAI-IGSPZPEDSA-N -1 0 348.786 2.876 20 30 EFEDRM C=CCn1c2ccccc2n(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S ZINC000825705631 601371400 /nfs/dbraw/zinc/37/14/00/601371400.db2.gz POTXSJSYRBTKBJ-INIZCTEOSA-N -1 0 335.404 2.814 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000833065181 601427103 /nfs/dbraw/zinc/42/71/03/601427103.db2.gz UQFOGIUUZVSLOG-WMLDXEAASA-N -1 0 335.363 2.692 20 30 EFEDRM C=CCCCC(=O)OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000825671421 601430683 /nfs/dbraw/zinc/43/06/83/601430683.db2.gz PHUTZMOSPLRBOS-UHFFFAOYSA-N -1 0 325.386 2.901 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)COc1ccccc1C#N ZINC000830387960 601458437 /nfs/dbraw/zinc/45/84/37/601458437.db2.gz BNMDZFWUZPTRTR-UHFFFAOYSA-N -1 0 329.308 2.534 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000830387973 601465895 /nfs/dbraw/zinc/46/58/95/601465895.db2.gz CHCPSTILHNWPPA-UHFFFAOYSA-N -1 0 343.335 2.728 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000833071615 601479762 /nfs/dbraw/zinc/47/97/62/601479762.db2.gz HUFHQAPJBAHZOB-LJQANCHMSA-N -1 0 334.375 2.701 20 30 EFEDRM C=CCN(CC1CCCCC1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000825681549 601514033 /nfs/dbraw/zinc/51/40/33/601514033.db2.gz AZECKUISGKHKBX-UHFFFAOYSA-N -1 0 329.462 2.639 20 30 EFEDRM Cc1cc(C(=O)NCc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832864273 601533002 /nfs/dbraw/zinc/53/30/02/601533002.db2.gz REKPPZIGCJEKAB-UHFFFAOYSA-N -1 0 338.363 2.569 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)cs2)cc1 ZINC000832235615 601548591 /nfs/dbraw/zinc/54/85/91/601548591.db2.gz MLZPPCTZIBTBDB-ZDUSSCGKSA-N -1 0 330.365 2.574 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833068336 601583752 /nfs/dbraw/zinc/58/37/52/601583752.db2.gz WJGDWCYNHZREFE-HNNXBMFYSA-N -1 0 344.754 2.798 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000776651785 601584091 /nfs/dbraw/zinc/58/40/91/601584091.db2.gz ZUJHPQBYVKTHAM-MRXNPFEDSA-N -1 0 343.766 2.908 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000833072184 601608374 /nfs/dbraw/zinc/60/83/74/601608374.db2.gz LHIXICPODFOYCU-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 ZINC000826032145 601609670 /nfs/dbraw/zinc/60/96/70/601609670.db2.gz ZKRDYSDZUUQAHV-UGSOOPFHSA-N -1 0 337.379 2.548 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCSc2ccccn2)C(=O)[O-])cc1 ZINC000833072216 601610822 /nfs/dbraw/zinc/61/08/22/601610822.db2.gz LQIBJHVUKVBFJV-MRXNPFEDSA-N -1 0 342.376 2.805 20 30 EFEDRM C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)[O-] ZINC000827493604 601617981 /nfs/dbraw/zinc/61/79/81/601617981.db2.gz XKFAYZGRVROZSA-LLVKDONJSA-N -1 0 340.339 2.588 20 30 EFEDRM O=C([O-])C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000833199619 601624843 /nfs/dbraw/zinc/62/48/43/601624843.db2.gz VBGSOYCSPIYTPQ-SFHVURJKSA-N -1 0 349.390 2.856 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CON=Cc1ccc(-n2cncn2)cc1 ZINC000833031217 601631059 /nfs/dbraw/zinc/63/10/59/601631059.db2.gz HKJXDOPVVBAUMC-UHFFFAOYSA-N -1 0 342.380 2.886 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833075046 601651244 /nfs/dbraw/zinc/65/12/44/601651244.db2.gz KEGPKVOHRQUXNH-IBGZPJMESA-N -1 0 338.338 2.864 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC000833068584 601676850 /nfs/dbraw/zinc/67/68/50/601676850.db2.gz CPLQGVACPIKEOO-NSHDSACASA-N -1 0 328.274 2.665 20 30 EFEDRM CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830519491 601679572 /nfs/dbraw/zinc/67/95/72/601679572.db2.gz SEWYKFMBSOAIAH-OAHLLOKOSA-N -1 0 330.290 2.734 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(F)c1 ZINC000833068990 601682493 /nfs/dbraw/zinc/68/24/93/601682493.db2.gz REIIOQUQFLHTNS-INIZCTEOSA-N -1 0 342.301 2.661 20 30 EFEDRM Cc1cc(C(=O)N(CCC#N)CC2CC2)cc(C)c1OCC(=O)[O-] ZINC000832860169 601684437 /nfs/dbraw/zinc/68/44/37/601684437.db2.gz CCVWHDZHYRAWIO-UHFFFAOYSA-N -1 0 330.384 2.533 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827878697 601714758 /nfs/dbraw/zinc/71/47/58/601714758.db2.gz AWHZKTRGEDSJJM-LLVKDONJSA-N -1 0 343.310 2.906 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)CNc1ccc(C#N)cc1 ZINC000833030604 601724573 /nfs/dbraw/zinc/72/45/73/601724573.db2.gz AVTQPHCZAGMQFR-UHFFFAOYSA-N -1 0 330.365 2.782 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000833032276 601729115 /nfs/dbraw/zinc/72/91/15/601729115.db2.gz XMULOSDKKFICMC-UHFFFAOYSA-N -1 0 345.376 2.943 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832863352 601735575 /nfs/dbraw/zinc/73/55/75/601735575.db2.gz IJVRNBXQAZYBIN-INIZCTEOSA-N -1 0 344.411 2.969 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000833068729 601748163 /nfs/dbraw/zinc/74/81/63/601748163.db2.gz BDYDULNBZWWBEL-UHFFFAOYSA-N -1 0 329.381 2.869 20 30 EFEDRM CC[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000828971396 601750372 /nfs/dbraw/zinc/75/03/72/601750372.db2.gz CMRNHCKSOLNDQO-KRWDZBQOSA-N -1 0 338.363 2.730 20 30 EFEDRM CC[C@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC000828957919 601754569 /nfs/dbraw/zinc/75/45/69/601754569.db2.gz INAWLIJMAYMSGM-INIZCTEOSA-N -1 0 325.368 2.559 20 30 EFEDRM Cc1c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)nnn1-c1ccc(C)cc1 ZINC000832908894 601793141 /nfs/dbraw/zinc/79/31/41/601793141.db2.gz BAWHECKYONHPST-VMPITWQZSA-N -1 0 336.351 2.807 20 30 EFEDRM N#C[C@H]1CN(Cc2ccsc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000833062564 601826948 /nfs/dbraw/zinc/82/69/48/601826948.db2.gz NFYKWROIDCZGBD-INIZCTEOSA-N -1 0 341.436 2.656 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000827928998 601829291 /nfs/dbraw/zinc/82/92/91/601829291.db2.gz TWTCOQTXEAFAHJ-HOCLYGCPSA-N -1 0 339.395 2.921 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-n3cccc3)nc2)C(=O)[O-])c1 ZINC000833075633 601846801 /nfs/dbraw/zinc/84/68/01/601846801.db2.gz CPAQAYPMBQHKOJ-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(C=NNc3nc4ccccc4c(=O)[nH]3)c2c1 ZINC000833324582 601848670 /nfs/dbraw/zinc/84/86/70/601848670.db2.gz BFYCMMONRKGTNM-UHFFFAOYSA-N -1 0 347.334 2.961 20 30 EFEDRM C=CCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825711018 601863134 /nfs/dbraw/zinc/86/31/34/601863134.db2.gz LQIAXSWAUQFWPU-JTQLQIEISA-N -1 0 325.777 2.741 20 30 EFEDRM C[C@@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000828127416 601895978 /nfs/dbraw/zinc/89/59/78/601895978.db2.gz DDYUOTQJIRTWFI-QUCCMNQESA-N -1 0 336.391 2.932 20 30 EFEDRM C[C@@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000828127415 601896144 /nfs/dbraw/zinc/89/61/44/601896144.db2.gz DDYUOTQJIRTWFI-ICSRJNTNSA-N -1 0 336.391 2.932 20 30 EFEDRM CCCn1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829585281 601986050 /nfs/dbraw/zinc/98/60/50/601986050.db2.gz LDRDSOOFRHSIKB-INIZCTEOSA-N -1 0 341.367 2.764 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833064745 602007455 /nfs/dbraw/zinc/00/74/55/602007455.db2.gz NBBAOEYNOWWGIN-NSHDSACASA-N -1 0 327.262 2.827 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000833072598 602015949 /nfs/dbraw/zinc/01/59/49/602015949.db2.gz OMJIZFWWEYAUTK-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM C=CCOCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825699287 602017544 /nfs/dbraw/zinc/01/75/44/602017544.db2.gz VVBGLEZHODMYFG-HNNXBMFYSA-N -1 0 345.317 2.671 20 30 EFEDRM C=CCOCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825699290 602017821 /nfs/dbraw/zinc/01/78/21/602017821.db2.gz VVBGLEZHODMYFG-OAHLLOKOSA-N -1 0 345.317 2.671 20 30 EFEDRM CC1CC(C#N)(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828156333 602029264 /nfs/dbraw/zinc/02/92/64/602029264.db2.gz HYCXGYYJNIJVMH-UHFFFAOYSA-N -1 0 330.369 2.715 20 30 EFEDRM C[C@H](Oc1ccc(C=NNC(=S)Nc2ccccc2)cc1)C(=O)[O-] ZINC000006545414 602066628 /nfs/dbraw/zinc/06/66/28/602066628.db2.gz GENSYRAGHSPTPK-LBPRGKRZSA-N -1 0 343.408 2.859 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000794895107 602072430 /nfs/dbraw/zinc/07/24/30/602072430.db2.gz CGWZQKVIPOEIAN-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000827309485 602100305 /nfs/dbraw/zinc/10/03/05/602100305.db2.gz ATMHTJJXXDRLEH-NSHDSACASA-N -1 0 325.324 2.795 20 30 EFEDRM CC(C)(C)c1nnc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000826528242 602145844 /nfs/dbraw/zinc/14/58/44/602145844.db2.gz QQFHOWDQEQTAQQ-CYBMUJFWSA-N -1 0 330.413 2.623 20 30 EFEDRM CC(C)Oc1cncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000827065747 602149195 /nfs/dbraw/zinc/14/91/95/602149195.db2.gz AQZFBJBLSIYULP-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c[nH]1 ZINC000833297206 602149620 /nfs/dbraw/zinc/14/96/20/602149620.db2.gz CHQQOFHYKAMBOT-SNAWJCMRSA-N -1 0 344.342 2.585 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000827241358 602182240 /nfs/dbraw/zinc/18/22/40/602182240.db2.gz WGBUHSQLNWVTKZ-CPCISQLKSA-N -1 0 343.166 2.752 20 30 EFEDRM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000829430625 602182649 /nfs/dbraw/zinc/18/26/49/602182649.db2.gz IDEWSWYSDGCCST-SWLSCSKDSA-N -1 0 330.384 2.787 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000827240930 602185633 /nfs/dbraw/zinc/18/56/33/602185633.db2.gz PDNHXJQVSGENBY-ZWNOBZJWSA-N -1 0 339.376 2.969 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000833071569 602241722 /nfs/dbraw/zinc/24/17/22/602241722.db2.gz JDLIXRODYXMOFY-HOTGVXAUSA-N -1 0 328.393 2.819 20 30 EFEDRM N#Cc1cc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)ccc1F ZINC000833069111 602267933 /nfs/dbraw/zinc/26/79/33/602267933.db2.gz VCAOHMCXDWYAOU-UHFFFAOYSA-N -1 0 330.271 2.850 20 30 EFEDRM C[C@H](COc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827525000 602270724 /nfs/dbraw/zinc/27/07/24/602270724.db2.gz ODIBZOAFVYTTIV-DYVFJYSZSA-N -1 0 339.347 2.942 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000833068384 602282868 /nfs/dbraw/zinc/28/28/68/602282868.db2.gz XOGKDLJDXZAOPX-UHFFFAOYSA-N -1 0 349.362 2.837 20 30 EFEDRM Cc1sc(NC(=O)C#Cc2ccc3c(c2)OCO3)c(C(=O)[O-])c1C ZINC000833033870 602295822 /nfs/dbraw/zinc/29/58/22/602295822.db2.gz MVMQRSBELGBGCY-UHFFFAOYSA-N -1 0 343.360 2.782 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000736379115 602370458 /nfs/dbraw/zinc/37/04/58/602370458.db2.gz ZACTVKZAFVRWBL-KRWDZBQOSA-N -1 0 337.379 2.712 20 30 EFEDRM N#CCn1c(C(=O)N(CC(=O)[O-])C2CCCC2)cc2ccccc21 ZINC000833069006 602400014 /nfs/dbraw/zinc/40/00/14/602400014.db2.gz KOPUHYZCAFOCEE-UHFFFAOYSA-N -1 0 325.368 2.634 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736359587 602479228 /nfs/dbraw/zinc/47/92/28/602479228.db2.gz HTMSPKLTCOOQDQ-BXKDBHETSA-N -1 0 335.360 2.904 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736545030 602690322 /nfs/dbraw/zinc/69/03/22/602690322.db2.gz NLZSUTCUBBSEGD-LBPRGKRZSA-N -1 0 348.428 2.908 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738251872 603125376 /nfs/dbraw/zinc/12/53/76/603125376.db2.gz WTBSNGXTYKFVOY-UHFFFAOYSA-N -1 0 332.337 2.724 20 30 EFEDRM N#Cc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)nc2ccc([N+](=O)[O-])cc12 ZINC000831118410 603190447 /nfs/dbraw/zinc/19/04/47/603190447.db2.gz XYKSERSBIVAZKV-LLVKDONJSA-N -1 0 341.327 2.569 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738203615 603260798 /nfs/dbraw/zinc/26/07/98/603260798.db2.gz XMSLTUSNJUXLTH-UHFFFAOYSA-N -1 0 331.353 2.757 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736108674 603300225 /nfs/dbraw/zinc/30/02/25/603300225.db2.gz MRUOYILVWVAQGE-CQSZACIVSA-N -1 0 335.379 2.666 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736108876 603300262 /nfs/dbraw/zinc/30/02/62/603300262.db2.gz SOQOJEDVLAAPAQ-OAHLLOKOSA-N -1 0 347.415 2.535 20 30 EFEDRM C#CCN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000823451308 603767131 /nfs/dbraw/zinc/76/71/31/603767131.db2.gz SCAMQCUTLCBBKI-UHFFFAOYSA-N -1 0 329.400 2.906 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc21 ZINC000830611905 604190578 /nfs/dbraw/zinc/19/05/78/604190578.db2.gz PPWOKVHFHMTAIH-LBPRGKRZSA-N -1 0 335.323 2.846 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000830611929 604190668 /nfs/dbraw/zinc/19/06/68/604190668.db2.gz QKTUWWMHTPRUBV-LBPRGKRZSA-N -1 0 335.323 2.846 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833075018 604347922 /nfs/dbraw/zinc/34/79/22/604347922.db2.gz JLJFNRWZQNQDLF-FNORWQNLSA-N -1 0 327.365 2.684 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000826044398 604369242 /nfs/dbraw/zinc/36/92/42/604369242.db2.gz GKUKVZJFXJTZEI-HZMBPMFUSA-N -1 0 343.770 2.798 20 30 EFEDRM Cc1cc(C=NNCc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832880739 604398183 /nfs/dbraw/zinc/39/81/83/604398183.db2.gz GMBLKFYRDPUZGT-UHFFFAOYSA-N -1 0 337.379 2.762 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832849416 604452351 /nfs/dbraw/zinc/45/23/51/604452351.db2.gz GQFZRHOHQAVYFN-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000833072324 604488185 /nfs/dbraw/zinc/48/81/85/604488185.db2.gz RNPWWFAMOIRBII-QGZVFWFLSA-N -1 0 332.363 2.660 20 30 EFEDRM C=CCn1c(C)nn(CN2CCc3cc(C(=O)[O-])ccc32)c1=S ZINC000833379650 604504326 /nfs/dbraw/zinc/50/43/26/604504326.db2.gz JMPSMJULVBMVEN-UHFFFAOYSA-N -1 0 330.413 2.627 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000833468857 604514492 /nfs/dbraw/zinc/51/44/92/604514492.db2.gz RMIOJUUALNYOAU-JQWIXIFHSA-N -1 0 344.198 2.966 20 30 EFEDRM C[C@H](Oc1ccc(CN(CCC#N)Cc2cccnc2)cc1)C(=O)[O-] ZINC000833539204 604518473 /nfs/dbraw/zinc/51/84/73/604518473.db2.gz XPVZKYZDSQXRNL-HNNXBMFYSA-N -1 0 339.395 2.849 20 30 EFEDRM N#Cc1c(Cn2cnc3c4ccccc4oc3c2=O)cccc1C(=O)[O-] ZINC000833760984 604547897 /nfs/dbraw/zinc/54/78/97/604547897.db2.gz KTNPOCSNYBDBKC-UHFFFAOYSA-N -1 0 345.314 2.761 20 30 EFEDRM N#Cc1c(Cn2c(=O)sc3c2CCCCC3)cccc1C(=O)[O-] ZINC000833761367 604550089 /nfs/dbraw/zinc/55/00/89/604550089.db2.gz XETJZFUIWRVIFX-UHFFFAOYSA-N -1 0 328.393 2.797 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)OCC ZINC000833367815 604552431 /nfs/dbraw/zinc/55/24/31/604552431.db2.gz WGDLGHJZRFPTQE-DZGCQCFKSA-N -1 0 327.327 2.578 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833367828 604561334 /nfs/dbraw/zinc/56/13/34/604561334.db2.gz WIJFXQBQFLRFJE-HIFRSBDPSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)OCC ZINC000833367827 604561513 /nfs/dbraw/zinc/56/15/13/604561513.db2.gz WIJFXQBQFLRFJE-DZGCQCFKSA-N -1 0 325.792 2.953 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)OCC ZINC000833367721 604561620 /nfs/dbraw/zinc/56/16/20/604561620.db2.gz SDGZIDYYLBKJKR-ZDUSSCGKSA-N -1 0 337.372 2.712 20 30 EFEDRM C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000833522796 604564059 /nfs/dbraw/zinc/56/40/59/604564059.db2.gz RVMNAPBKZREASM-CYBMUJFWSA-N -1 0 337.379 2.859 20 30 EFEDRM Cc1cc([C@H](C)OC(=O)COc2cccc(C#N)c2)oc1C(=O)[O-] ZINC000832870662 604568817 /nfs/dbraw/zinc/56/88/17/604568817.db2.gz BIVUAHYJICEPNV-NSHDSACASA-N -1 0 329.308 2.841 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)nc1 ZINC000833368822 604572801 /nfs/dbraw/zinc/57/28/01/604572801.db2.gz VADSSQWRMFXYDE-UHFFFAOYSA-N -1 0 326.377 2.882 20 30 EFEDRM CC(C)Oc1cccnc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833508212 604584456 /nfs/dbraw/zinc/58/44/56/604584456.db2.gz YNQYZSXGYGFSOV-UHFFFAOYSA-N -1 0 340.335 2.796 20 30 EFEDRM COc1c(F)ccc(F)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833727479 604585180 /nfs/dbraw/zinc/58/51/80/604585180.db2.gz XMTFEWYFQIELNE-UHFFFAOYSA-N -1 0 347.273 2.900 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2cc(C#N)cs2)C(=O)[O-])c1 ZINC000832075256 604598125 /nfs/dbraw/zinc/59/81/25/604598125.db2.gz XEXMWUBYYRXYRO-CQSZACIVSA-N -1 0 347.348 2.620 20 30 EFEDRM COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC000832407184 604600102 /nfs/dbraw/zinc/60/01/02/604600102.db2.gz AJSBRUVVOYSLKE-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM CCCCn1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829447778 604608899 /nfs/dbraw/zinc/60/88/99/604608899.db2.gz SAMFSJAOTUNGLT-INIZCTEOSA-N -1 0 341.367 2.846 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000827038882 604622824 /nfs/dbraw/zinc/62/28/24/604622824.db2.gz WEFOVRSWUUMHGW-CYBMUJFWSA-N -1 0 331.372 2.816 20 30 EFEDRM CC(=NNC(=S)NCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-] ZINC000814821667 604637614 /nfs/dbraw/zinc/63/76/14/604637614.db2.gz FKLFHSMGLFZTHX-QMMMGPOBSA-N -1 0 327.372 2.670 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833360120 604638123 /nfs/dbraw/zinc/63/81/23/604638123.db2.gz DEUKOXAWDGCXJW-KRWDZBQOSA-N -1 0 343.404 2.569 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccccc1 ZINC000833362770 604638160 /nfs/dbraw/zinc/63/81/60/604638160.db2.gz KGGFOTCLSJWYIT-OAHLLOKOSA-N -1 0 343.404 2.736 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C ZINC000829027077 604648737 /nfs/dbraw/zinc/64/87/37/604648737.db2.gz MPVXOMSIWXGOMA-LPHOPBHVSA-N -1 0 345.443 2.579 20 30 EFEDRM C=CCOc1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1Cl ZINC000833378153 604651827 /nfs/dbraw/zinc/65/18/27/604651827.db2.gz YXKPMFFNHHGWRE-CYBMUJFWSA-N -1 0 325.792 2.580 20 30 EFEDRM C#CC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833360842 604655980 /nfs/dbraw/zinc/65/59/80/604655980.db2.gz PKWNQIHDJJRFRW-HZPDHXFCSA-N -1 0 326.396 2.647 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000833362722 604694287 /nfs/dbraw/zinc/69/42/87/604694287.db2.gz GVUSZZWLADYXOW-OAHLLOKOSA-N -1 0 347.367 2.567 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2ccc(C(=O)[O-])cc2F)s1 ZINC000833376144 604709148 /nfs/dbraw/zinc/70/91/48/604709148.db2.gz UYWPXQNZBIIHOA-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM COC1CCC(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833718426 604717163 /nfs/dbraw/zinc/71/71/63/604717163.db2.gz AVKVFDYQWRQPIM-QOJXUVEWSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000825692048 604741127 /nfs/dbraw/zinc/74/11/27/604741127.db2.gz GASHGORKECDCIX-UHFFFAOYSA-N -1 0 332.385 2.761 20 30 EFEDRM C=CCNc1ncc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000825692167 604741173 /nfs/dbraw/zinc/74/11/73/604741173.db2.gz LLPOBCZJGBSHAL-NSHDSACASA-N -1 0 343.408 2.960 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000825692560 604742041 /nfs/dbraw/zinc/74/20/41/604742041.db2.gz XULODUSTTDNKKV-UHFFFAOYSA-N -1 0 347.396 2.847 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(C#N)cc1F ZINC000832915629 604762483 /nfs/dbraw/zinc/76/24/83/604762483.db2.gz FOIYIVZTRAMWJJ-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833432970 604776634 /nfs/dbraw/zinc/77/66/34/604776634.db2.gz SZHNGFHHFILCOS-MRXNPFEDSA-N -1 0 344.411 2.953 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833367342 604787242 /nfs/dbraw/zinc/78/72/42/604787242.db2.gz UXMPYQSZWWAHLM-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000135376561 604805676 /nfs/dbraw/zinc/80/56/76/604805676.db2.gz WYVXOXWALBBKII-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM C#Cc1cccc(NC(=O)CNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000833367070 604823490 /nfs/dbraw/zinc/82/34/90/604823490.db2.gz IKACKDPOANWPMF-UHFFFAOYSA-N -1 0 335.772 2.527 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H](O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000833073092 604835927 /nfs/dbraw/zinc/83/59/27/604835927.db2.gz VLBXRGZEDIMSTI-HUUCEWRRSA-N -1 0 345.738 2.614 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833369224 604849151 /nfs/dbraw/zinc/84/91/51/604849151.db2.gz KKUKVFOQQQANTA-AWEZNQCLSA-N -1 0 330.428 2.556 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000833366184 604860792 /nfs/dbraw/zinc/86/07/92/604860792.db2.gz KPMZMSPNMVMOFP-QGZVFWFLSA-N -1 0 335.359 2.917 20 30 EFEDRM O=C([O-])Nc1ccc(C(=O)OCC#Cc2ccc(F)cc2)cc1O ZINC000833282777 604865153 /nfs/dbraw/zinc/86/51/53/604865153.db2.gz PMRJPMATSKESKY-UHFFFAOYSA-N -1 0 329.283 2.830 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000777396586 604890357 /nfs/dbraw/zinc/89/03/57/604890357.db2.gz ABUXBROOXXSKRV-OAHLLOKOSA-N -1 0 329.396 2.662 20 30 EFEDRM C=CCSCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000825702058 604910384 /nfs/dbraw/zinc/91/03/84/604910384.db2.gz AQYSWEWWXATHNK-UHFFFAOYSA-N -1 0 344.820 2.844 20 30 EFEDRM C[C@@]1(NC(=O)c2cc3ccccc3n2CC#N)CCCC[C@H]1C(=O)[O-] ZINC000833567767 604959742 /nfs/dbraw/zinc/95/97/42/604959742.db2.gz QEWOPPQJKJPWKK-IFXJQAMLSA-N -1 0 339.395 2.928 20 30 EFEDRM COC(=O)c1cc(NCc2cc(C#N)ccc2OC)cc(C(=O)[O-])c1 ZINC000831323139 604984011 /nfs/dbraw/zinc/98/40/11/604984011.db2.gz SVZAYTYSHOJEGI-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM CCc1nc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000833674341 604994923 /nfs/dbraw/zinc/99/49/23/604994923.db2.gz PGTOJMFRLMOAET-VIFPVBQESA-N -1 0 345.380 2.681 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833376361 605013726 /nfs/dbraw/zinc/01/37/26/605013726.db2.gz TXCZUCAJTPKABY-UHFFFAOYSA-N -1 0 335.356 2.905 20 30 EFEDRM C=CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833370213 605020507 /nfs/dbraw/zinc/02/05/07/605020507.db2.gz JPDYKKMSVLAHPA-JTQLQIEISA-N -1 0 338.385 2.856 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1c(F)c(F)nc(F)c1F ZINC000833408545 605038559 /nfs/dbraw/zinc/03/85/59/605038559.db2.gz ZURQYGDDTJJVNC-LURJTMIESA-N -1 0 330.241 2.531 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1oc(C(C)(C)C)nc1C#N ZINC000833406335 605039908 /nfs/dbraw/zinc/03/99/08/605039908.db2.gz MXFFTHHRZBTISU-SNVBAGLBSA-N -1 0 329.360 2.737 20 30 EFEDRM Cc1ccc(F)c(NC(=S)NN=Cc2cccn2[C@@H](C)C(=O)[O-])c1 ZINC000833749434 605040325 /nfs/dbraw/zinc/04/03/25/605040325.db2.gz LTFAESAVAYFHJX-NSHDSACASA-N -1 0 348.403 2.902 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1nc(-c2ccccc2)no1 ZINC000833407644 605040560 /nfs/dbraw/zinc/04/05/60/605040560.db2.gz UHVZCNGEZBKWPE-NSHDSACASA-N -1 0 325.328 2.630 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833682629 605052641 /nfs/dbraw/zinc/05/26/41/605052641.db2.gz CIVDIAWKHJEQTL-STQMWFEESA-N -1 0 340.383 2.757 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)nc1 ZINC000833368493 605064511 /nfs/dbraw/zinc/06/45/11/605064511.db2.gz OKPYPZWKGWBTSE-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833379042 605077772 /nfs/dbraw/zinc/07/77/72/605077772.db2.gz WCZUICZPGUNIIB-HNNXBMFYSA-N -1 0 331.299 2.768 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833372866 605084447 /nfs/dbraw/zinc/08/44/47/605084447.db2.gz AANKZTKCBMHNQV-VIFPVBQESA-N -1 0 338.429 2.863 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833373519 605084452 /nfs/dbraw/zinc/08/44/52/605084452.db2.gz RETBMDDSRMCSIO-SNVBAGLBSA-N -1 0 338.791 2.838 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000833455503 605110879 /nfs/dbraw/zinc/11/08/79/605110879.db2.gz GTMXJMGOQZWBAR-UHFFFAOYSA-N -1 0 339.735 2.949 20 30 EFEDRM C=CCOc1cccnc1C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000833378360 605144526 /nfs/dbraw/zinc/14/45/26/605144526.db2.gz FARCWBBUFKBFPU-UHFFFAOYSA-N -1 0 329.308 2.572 20 30 EFEDRM C=CCn1nnnc1SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833380688 605152249 /nfs/dbraw/zinc/15/22/49/605152249.db2.gz MTLATPKOKAGZIE-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C=CCn1c(S[C@H](CC(C)(C)C)C(=O)[O-])nnc1-c1cnccn1 ZINC000833380457 605155310 /nfs/dbraw/zinc/15/53/10/605155310.db2.gz FVPBECASORXTCI-GFCCVEGCSA-N -1 0 347.444 2.903 20 30 EFEDRM C=CCNC(=O)[C@H](C)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833377454 605158582 /nfs/dbraw/zinc/15/85/82/605158582.db2.gz XVKAQBNOFUCVPG-NSHDSACASA-N -1 0 346.408 2.964 20 30 EFEDRM C=CCNC(=O)CSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833376847 605158796 /nfs/dbraw/zinc/15/87/96/605158796.db2.gz RVKALYYVZQFYLW-UHFFFAOYSA-N -1 0 332.381 2.575 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000237051352 605162962 /nfs/dbraw/zinc/16/29/62/605162962.db2.gz BRJDCVJQARKOQY-UHFFFAOYSA-N -1 0 347.367 2.720 20 30 EFEDRM C#CCCCNc1cc(I)cc(C(=O)[O-])c1 ZINC000833362247 605179135 /nfs/dbraw/zinc/17/91/35/605179135.db2.gz HREFQSLVUOBQPP-UHFFFAOYSA-N -1 0 329.137 2.815 20 30 EFEDRM C#Cc1ccc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)cn1 ZINC000833368179 605185127 /nfs/dbraw/zinc/18/51/27/605185127.db2.gz IPTXYBFABOBWQY-UHFFFAOYSA-N -1 0 348.314 2.773 20 30 EFEDRM C#CCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000833362514 605192328 /nfs/dbraw/zinc/19/23/28/605192328.db2.gz WBZUAYUCSWAJJT-HNNXBMFYSA-N -1 0 341.238 2.760 20 30 EFEDRM C#CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833367181 605195658 /nfs/dbraw/zinc/19/56/58/605195658.db2.gz RQNDBNQMMGGBFJ-KRWDZBQOSA-N -1 0 339.347 2.723 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833365537 605197344 /nfs/dbraw/zinc/19/73/44/605197344.db2.gz STCKMJUQLKBMDS-UHFFFAOYSA-N -1 0 335.425 2.650 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833374417 605204706 /nfs/dbraw/zinc/20/47/06/605204706.db2.gz ZUXPCZBYYZQLBO-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccccc1 ZINC000833410769 605215307 /nfs/dbraw/zinc/21/53/07/605215307.db2.gz GMRSYGKIDFMXPE-IFXJQAMLSA-N -1 0 336.391 2.873 20 30 EFEDRM C=CCCOCCCCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000833374964 605231004 /nfs/dbraw/zinc/23/10/04/605231004.db2.gz PHGFWPDFHFPHHE-INIZCTEOSA-N -1 0 333.384 2.628 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833378359 605248076 /nfs/dbraw/zinc/24/80/76/605248076.db2.gz FANHXSHOLPPERU-UHFFFAOYSA-N -1 0 347.392 2.892 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(=O)[O-])no1 ZINC000833374579 605283857 /nfs/dbraw/zinc/28/38/57/605283857.db2.gz ROGHVZDJFYULRJ-UHFFFAOYSA-N -1 0 326.761 2.916 20 30 EFEDRM C=C(C)CN(C)c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000833369384 605293888 /nfs/dbraw/zinc/29/38/88/605293888.db2.gz UGJWBEMDUOYZKZ-UHFFFAOYSA-N -1 0 333.775 2.596 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000135287235 605297163 /nfs/dbraw/zinc/29/71/63/605297163.db2.gz DLTHDGGKNYUCSW-UHFFFAOYSA-N -1 0 325.411 2.796 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC000833368849 605320152 /nfs/dbraw/zinc/32/01/52/605320152.db2.gz VXTZJLWSHWIHEX-AWEZNQCLSA-N -1 0 333.702 2.838 20 30 EFEDRM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)[O-] ZINC000833387200 605323220 /nfs/dbraw/zinc/32/32/20/605323220.db2.gz SZVNFUHJMKIXAR-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccncc1C=NNc1cccc(C(=O)[O-])c1 ZINC000783774112 605328654 /nfs/dbraw/zinc/32/86/54/605328654.db2.gz XQOOYWXFYPIYCI-UHFFFAOYSA-N -1 0 340.383 2.632 20 30 EFEDRM C#CCOCCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000833366463 605382780 /nfs/dbraw/zinc/38/27/80/605382780.db2.gz YIGDTXXTLJTNEO-UHFFFAOYSA-N -1 0 349.184 2.757 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833696436 605441723 /nfs/dbraw/zinc/44/17/23/605441723.db2.gz MHHYPQKMZUVTTA-UHFFFAOYSA-N -1 0 329.400 2.735 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000833374514 605477422 /nfs/dbraw/zinc/47/74/22/605477422.db2.gz NQCFQNFEWUIQCG-UHFFFAOYSA-N -1 0 342.395 2.671 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833374591 605477490 /nfs/dbraw/zinc/47/74/90/605477490.db2.gz SDPCNLPKOLSJQJ-UHFFFAOYSA-N -1 0 328.368 2.647 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833432757 605578103 /nfs/dbraw/zinc/57/81/03/605578103.db2.gz RGPQWIYCGGVQMD-OAHLLOKOSA-N -1 0 338.385 2.646 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833433666 605581220 /nfs/dbraw/zinc/58/12/20/605581220.db2.gz YCCWNDJVYZEQGQ-GOSISDBHSA-N -1 0 346.383 2.514 20 30 EFEDRM N#Cc1ccc(NC(=S)N[C@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000739121573 605620805 /nfs/dbraw/zinc/62/08/05/605620805.db2.gz SXWWSAIRIGTWSV-NSHDSACASA-N -1 0 338.820 2.640 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000833431846 605668198 /nfs/dbraw/zinc/66/81/98/605668198.db2.gz FKXYJNKFPLNLMW-GOSISDBHSA-N -1 0 347.367 2.690 20 30 EFEDRM N#CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000739088253 605694326 /nfs/dbraw/zinc/69/43/26/605694326.db2.gz QDLCRCFVBLIJIF-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM C=CCOCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833375738 605713042 /nfs/dbraw/zinc/71/30/42/605713042.db2.gz KHFMPJWHKUQSSY-UHFFFAOYSA-N -1 0 344.367 2.627 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)[O-] ZINC000818622230 605719418 /nfs/dbraw/zinc/71/94/18/605719418.db2.gz LTLOODMYBFEEDY-CHWSQXEVSA-N -1 0 333.388 2.846 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1ccccc1O[C@@H](C)C#N)C(=O)[O-] ZINC000818624550 605719635 /nfs/dbraw/zinc/71/96/35/605719635.db2.gz SXPGNBOIQNAKRU-LBPRGKRZSA-N -1 0 333.388 2.990 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000833417916 605757064 /nfs/dbraw/zinc/75/70/64/605757064.db2.gz BYPGSLQGNBZBNL-MRXNPFEDSA-N -1 0 338.363 2.593 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833466303 605843168 /nfs/dbraw/zinc/84/31/68/605843168.db2.gz DESQSOSXBQGJOQ-INIZCTEOSA-N -1 0 335.835 2.704 20 30 EFEDRM C=CCN(CC=C)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833374984 605891800 /nfs/dbraw/zinc/89/18/00/605891800.db2.gz CIGUXVIIBVHVCL-UHFFFAOYSA-N -1 0 330.384 2.647 20 30 EFEDRM CC(CC1CCOCC1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000820234790 606860654 /nfs/dbraw/zinc/86/06/54/606860654.db2.gz PLSNQPQKLGCTPK-UHFFFAOYSA-N -1 0 333.396 2.583 20 30 EFEDRM CCc1nc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cs1 ZINC000825744563 607887854 /nfs/dbraw/zinc/88/78/54/607887854.db2.gz CVLUFHNPSITRDC-UHFFFAOYSA-N -1 0 346.420 2.617 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnn2cccc(Cl)c12 ZINC000850757386 1250596315 /nfs/dbraw/zinc/59/63/15/1250596315.db2.gz JWPMQJAQNIRVJL-LBPRGKRZSA-N -1 0 344.802 2.759 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1coc(-c2cccnc2)n1 ZINC000850757867 1250596345 /nfs/dbraw/zinc/59/63/45/1250596345.db2.gz SIWNQQHVJRWYEU-AWEZNQCLSA-N -1 0 338.367 2.508 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000850759966 1250597895 /nfs/dbraw/zinc/59/78/95/1250597895.db2.gz TVGRPXJGMMFKKU-LLVKDONJSA-N -1 0 328.315 2.900 20 30 EFEDRM CO[C@](C)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000850781960 1250615547 /nfs/dbraw/zinc/61/55/47/1250615547.db2.gz HIEYUIWLMWDWIT-ZMZPIMSZSA-N -1 0 344.367 2.751 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889200 1250669743 /nfs/dbraw/zinc/66/97/43/1250669743.db2.gz ULYZNMSMYJJAKE-UHFFFAOYSA-N -1 0 346.380 2.899 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CC3)cc2)CCCC1 ZINC000850932439 1250695277 /nfs/dbraw/zinc/69/52/77/1250695277.db2.gz MQJLJKIBBNBROG-UHFFFAOYSA-N -1 0 332.425 2.708 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)CCCCC1 ZINC000850944329 1250703963 /nfs/dbraw/zinc/70/39/63/1250703963.db2.gz ZXUNCEWRJQPQNL-UHFFFAOYSA-N -1 0 338.404 2.636 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCC)c1ccc(Cl)cc1 ZINC000850999852 1250735210 /nfs/dbraw/zinc/73/52/10/1250735210.db2.gz LIUYGLNQCAHSBO-AWEZNQCLSA-N -1 0 327.833 2.693 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCC)c1ccc(Cl)cc1 ZINC000851000688 1250735399 /nfs/dbraw/zinc/73/53/99/1250735399.db2.gz YGMRMXSBDASOCR-AWEZNQCLSA-N -1 0 327.833 2.693 20 30 EFEDRM CCCC1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCC1 ZINC000851192765 1250851560 /nfs/dbraw/zinc/85/15/60/1250851560.db2.gz QNFTWMYLZMQEKI-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191275 1250858340 /nfs/dbraw/zinc/85/83/40/1250858340.db2.gz VXYLLAULXXANEV-CYBMUJFWSA-N -1 0 340.420 2.716 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C2CCCCCC2)c1 ZINC000851192213 1250858403 /nfs/dbraw/zinc/85/84/03/1250858403.db2.gz CLRXTWPWIJFZLZ-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000851190194 1250858984 /nfs/dbraw/zinc/85/89/84/1250858984.db2.gz CWBZFBZXYTYRND-XFFZJAGNSA-N -1 0 338.404 2.636 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)CCc2ccccc2F)CCC1 ZINC000851325676 1250925500 /nfs/dbraw/zinc/92/55/00/1250925500.db2.gz BPROYOUYYJSOEX-UHFFFAOYSA-N -1 0 325.405 2.561 20 30 EFEDRM CCOC1(COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CCC1 ZINC000851552088 1251081053 /nfs/dbraw/zinc/08/10/53/1251081053.db2.gz SQHXCVTYKBZLDX-UHFFFAOYSA-N -1 0 332.400 2.711 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1 ZINC001771746538 1251644121 /nfs/dbraw/zinc/64/41/21/1251644121.db2.gz KBJDBMHUXMCGNT-UHFFFAOYSA-N -1 0 342.424 2.549 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000176514344 1252014535 /nfs/dbraw/zinc/01/45/35/1252014535.db2.gz LLQOJLLWMDRPPV-UHFFFAOYSA-N -1 0 346.330 2.738 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(O)c(F)c1F)CC2 ZINC001272724780 1253075311 /nfs/dbraw/zinc/07/53/11/1253075311.db2.gz PMJDXSMXRACOMC-CYBMUJFWSA-N -1 0 336.382 2.575 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073263907 1253701611 /nfs/dbraw/zinc/70/16/11/1253701611.db2.gz FBRLGHYMYJLLCS-JLLWLGSASA-N -1 0 349.330 2.918 20 30 EFEDRM O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000073288935 1253970782 /nfs/dbraw/zinc/97/07/82/1253970782.db2.gz OFJKKDDFUROUAK-UHFFFAOYSA-N -1 0 345.833 2.611 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cccnc1SC(F)(F)F ZINC000073289693 1253972084 /nfs/dbraw/zinc/97/20/84/1253972084.db2.gz ZOZQNIOBKCVDIN-UHFFFAOYSA-N -1 0 342.364 2.984 20 30 EFEDRM C#CCCCCCC(=O)NCC[C@H](C)NC(=O)c1ccccc1O ZINC001077741275 1256937030 /nfs/dbraw/zinc/93/70/30/1256937030.db2.gz YFXQJUKFARUQEN-HNNXBMFYSA-N -1 0 330.428 2.601 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001116906427 1261844499 /nfs/dbraw/zinc/84/44/99/1261844499.db2.gz JIWNZVCIEHCJEQ-XQQFMLRXSA-N -1 0 338.201 2.698 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)c1 ZINC000729889987 1264101013 /nfs/dbraw/zinc/10/10/13/1264101013.db2.gz VQJVIWDTPGUZPR-CYBMUJFWSA-N -1 0 341.392 2.990 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC#N ZINC000729890171 1264101359 /nfs/dbraw/zinc/10/13/59/1264101359.db2.gz WKGCAKHBUYZFQU-OAHLLOKOSA-N -1 0 336.395 2.794 20 30 EFEDRM CC(C)(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2O)CC1 ZINC001066156289 1266657374 /nfs/dbraw/zinc/65/73/74/1266657374.db2.gz YLNAELZXHJRDFH-HNNXBMFYSA-N -1 0 342.439 2.553 20 30 EFEDRM Cc1cc(C)nc(N=NCc2ccc(OC(F)(F)C(=O)[O-])cc2)n1 ZINC000730721524 1264427683 /nfs/dbraw/zinc/42/76/83/1264427683.db2.gz HKXFCTOGQJJCAV-UHFFFAOYSA-N -1 0 336.298 2.596 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000730995199 1264508687 /nfs/dbraw/zinc/50/86/87/1264508687.db2.gz BFBZHJXCOVSMQS-UHFFFAOYSA-N -1 0 345.420 2.688 20 30 EFEDRM Cn1c2ccccc2sc1=NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733201045 1265109279 /nfs/dbraw/zinc/10/92/79/1265109279.db2.gz OGHKIMIHOPSYBA-UHFFFAOYSA-N -1 0 341.392 2.638 20 30 EFEDRM CO[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733204892 1265110393 /nfs/dbraw/zinc/11/03/93/1265110393.db2.gz CUCBPQMHHYZWEV-PSPKYYERSA-N -1 0 326.658 2.950 20 30 EFEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000733205193 1265125223 /nfs/dbraw/zinc/12/52/23/1265125223.db2.gz MUXCFWSZYSLOHE-BQYQJAHWSA-N -1 0 327.292 2.954 20 30 EFEDRM COc1cc(C=NNc2cnnc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000733750277 1265401785 /nfs/dbraw/zinc/40/17/85/1265401785.db2.gz RVYIKYSFGKKMAL-UHFFFAOYSA-N -1 0 339.311 2.698 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000734504534 1266997468 /nfs/dbraw/zinc/99/74/68/1266997468.db2.gz RJAVKUACSBMRON-CQSZACIVSA-N -1 0 347.396 2.894 20 30 EFEDRM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n(CCC#N)n1 ZINC000735878344 1267439506 /nfs/dbraw/zinc/43/95/06/1267439506.db2.gz JEVYMVHRRWPFPV-UHFFFAOYSA-N -1 0 327.369 2.787 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1nc(-c2ccco2)no1 ZINC000073837754 1267532884 /nfs/dbraw/zinc/53/28/84/1267532884.db2.gz KMLBXORYWXPBNH-UHFFFAOYSA-N -1 0 341.389 2.737 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000073837919 1267533525 /nfs/dbraw/zinc/53/35/25/1267533525.db2.gz YJIWAPLBRCFSRU-UHFFFAOYSA-N -1 0 338.429 2.636 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000073839117 1267536736 /nfs/dbraw/zinc/53/67/36/1267536736.db2.gz UOYLOXPWQYPORX-UWJCENJNSA-N -1 0 329.462 2.914 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000073838909 1267537290 /nfs/dbraw/zinc/53/72/90/1267537290.db2.gz GEVUPRHKWXQDDM-SNVBAGLBSA-N -1 0 325.386 2.719 20 30 EFEDRM Cc1csc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1Cl ZINC000791766848 1278343536 /nfs/dbraw/zinc/34/35/36/1278343536.db2.gz HXHZZEHYDMBPNF-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000736539649 1267651043 /nfs/dbraw/zinc/65/10/43/1267651043.db2.gz NWQCBWLFSSQVPB-MRXNPFEDSA-N -1 0 338.392 2.866 20 30 EFEDRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058102397 1268355367 /nfs/dbraw/zinc/35/53/67/1268355367.db2.gz QQCPCVUQVITNBD-JTQLQIEISA-N -1 0 339.804 2.989 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(SC)cc2)CCC1 ZINC000791886526 1278410584 /nfs/dbraw/zinc/41/05/84/1278410584.db2.gz JONVLVDYAHTKJU-UHFFFAOYSA-N -1 0 325.455 2.960 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000133265365 1268495770 /nfs/dbraw/zinc/49/57/70/1268495770.db2.gz COJSEUWKJCVFPL-SECBINFHSA-N -1 0 325.349 2.625 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2cccc(Cl)c2)nc1C ZINC000133314351 1268519235 /nfs/dbraw/zinc/51/92/35/1268519235.db2.gz XSZUFBGMBQZROG-LLVKDONJSA-N -1 0 333.800 2.840 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2cccc(Cl)c2)nc1C ZINC000133314542 1268519478 /nfs/dbraw/zinc/51/94/78/1268519478.db2.gz XSZUFBGMBQZROG-NSHDSACASA-N -1 0 333.800 2.840 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)c(C)c1C ZINC000805883812 1278418309 /nfs/dbraw/zinc/41/83/09/1278418309.db2.gz BUXQDWAYGNZWQY-UHFFFAOYSA-N -1 0 338.429 2.591 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000741658297 1269637789 /nfs/dbraw/zinc/63/77/89/1269637789.db2.gz UGWFCFFLCGUXAO-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000741657490 1269638411 /nfs/dbraw/zinc/63/84/11/1269638411.db2.gz SQIYTNKOQJOIQT-UHFFFAOYSA-N -1 0 349.383 2.956 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C ZINC000792061677 1278521467 /nfs/dbraw/zinc/52/14/67/1278521467.db2.gz MTMVNOTZGZCIOD-UHFFFAOYSA-N -1 0 325.405 2.664 20 30 EFEDRM C#CCOc1cccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000742252483 1269960768 /nfs/dbraw/zinc/96/07/68/1269960768.db2.gz CYICYFXEOCSJRR-UHFFFAOYSA-N -1 0 347.374 2.738 20 30 EFEDRM C#CCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742333376 1269989047 /nfs/dbraw/zinc/98/90/47/1269989047.db2.gz WQSWKYGYDRJEQY-UHFFFAOYSA-N -1 0 337.184 2.593 20 30 EFEDRM O=C1C(=NN=c2[n-]c(-c3ccccc3)no2)CCN1Cc1ccccc1 ZINC000743437905 1270589007 /nfs/dbraw/zinc/58/90/07/1270589007.db2.gz IVBMCMDKBLXIRV-UHFFFAOYSA-N -1 0 347.378 2.937 20 30 EFEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000743495275 1270609467 /nfs/dbraw/zinc/60/94/67/1270609467.db2.gz ZHUWRWNNBLBLRN-UHFFFAOYSA-N -1 0 327.405 2.554 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc2ccsc2c1 ZINC000744026878 1270837037 /nfs/dbraw/zinc/83/70/37/1270837037.db2.gz AEDSEZIMHDQAPE-CQSZACIVSA-N -1 0 335.388 2.935 20 30 EFEDRM COc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(C)c1 ZINC000745340728 1271437476 /nfs/dbraw/zinc/43/74/76/1271437476.db2.gz BQZLQEZMVWIIPH-CQSZACIVSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC[C@@H]2CC[C@@H](C)O2)n1 ZINC000745714880 1271577348 /nfs/dbraw/zinc/57/73/48/1271577348.db2.gz QGTGVOIGGBKEQM-FRRDWIJNSA-N -1 0 336.413 2.519 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745964276 1271701369 /nfs/dbraw/zinc/70/13/69/1271701369.db2.gz IBCHSUHAMNYRDA-UHFFFAOYSA-N -1 0 349.383 2.818 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccncc1 ZINC000746270457 1271951266 /nfs/dbraw/zinc/95/12/66/1271951266.db2.gz YLFGLXOVNVUQBA-QGZVFWFLSA-N -1 0 348.406 2.916 20 30 EFEDRM C#CCOc1ccccc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000187230985 1272080406 /nfs/dbraw/zinc/08/04/06/1272080406.db2.gz IHQNVGMOXKNYJD-UHFFFAOYSA-N -1 0 347.374 2.738 20 30 EFEDRM N#Cc1c(F)cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001168914399 1272507463 /nfs/dbraw/zinc/50/74/63/1272507463.db2.gz MYEWLKJRXKYLAB-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM C=CC[C@H](Nc1cc(Br)cc(C(=O)[O-])c1)C(=O)OC ZINC001169845266 1273192253 /nfs/dbraw/zinc/19/22/53/1273192253.db2.gz TWGQDFIJPNBTOE-NSHDSACASA-N -1 0 328.162 2.677 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cccnc1 ZINC000792561760 1278901892 /nfs/dbraw/zinc/90/18/92/1278901892.db2.gz HYGHMUHDEZUZBA-CYBMUJFWSA-N -1 0 328.434 2.564 20 30 EFEDRM N#Cc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])nn2)s1 ZINC001170199986 1278906650 /nfs/dbraw/zinc/90/66/50/1278906650.db2.gz PLMJPKNVEWQUCN-UHFFFAOYSA-N -1 0 328.275 2.739 20 30 EFEDRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000785555481 1275117076 /nfs/dbraw/zinc/11/70/76/1275117076.db2.gz YZCHGHDFRVAAQB-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3occc3[nH]2)n1 ZINC000786029042 1275278647 /nfs/dbraw/zinc/27/86/47/1275278647.db2.gz CPPZBZNVJWENFI-VIFPVBQESA-N -1 0 329.337 2.559 20 30 EFEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000786275473 1275349876 /nfs/dbraw/zinc/34/98/76/1275349876.db2.gz BRJBKFDNCDMBCH-UHFFFAOYSA-N -1 0 341.241 2.800 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)OC ZINC000786329128 1275372118 /nfs/dbraw/zinc/37/21/18/1275372118.db2.gz NPDQNOTZSMLXAU-LBPRGKRZSA-N -1 0 348.399 2.515 20 30 EFEDRM Cc1c(Cl)cccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000786485514 1275406632 /nfs/dbraw/zinc/40/66/32/1275406632.db2.gz RIPNCHBYEIRVHM-UHFFFAOYSA-N -1 0 340.832 2.792 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786533018 1275421233 /nfs/dbraw/zinc/42/12/33/1275421233.db2.gz CPYDGGFVNSQFFD-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786534403 1275422099 /nfs/dbraw/zinc/42/20/99/1275422099.db2.gz KSUDPANTTPCJNQ-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786537947 1275423558 /nfs/dbraw/zinc/42/35/58/1275423558.db2.gz SRTWJKHTMLJUQH-LBPRGKRZSA-N -1 0 347.827 2.998 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)co1 ZINC000786537169 1275423576 /nfs/dbraw/zinc/42/35/76/1275423576.db2.gz RCRQRVYHVORUHP-LBPRGKRZSA-N -1 0 331.759 2.529 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538822 1275424775 /nfs/dbraw/zinc/42/47/75/1275424775.db2.gz BYEZLQYSOYHMAV-GOSISDBHSA-N -1 0 349.390 2.592 20 30 EFEDRM Cc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786539732 1275425034 /nfs/dbraw/zinc/42/50/34/1275425034.db2.gz XCDRJAHKHPYTQR-LBPRGKRZSA-N -1 0 333.800 2.744 20 30 EFEDRM Cc1nscc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786539793 1275425073 /nfs/dbraw/zinc/42/50/73/1275425073.db2.gz XLFMORFXMXWICT-GFCCVEGCSA-N -1 0 333.800 2.744 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538871 1275425096 /nfs/dbraw/zinc/42/50/96/1275425096.db2.gz BPQVWOYALUIVIN-GOSISDBHSA-N -1 0 334.375 2.837 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786541584 1275436996 /nfs/dbraw/zinc/43/69/96/1275436996.db2.gz PTBAJPWAOOAJGB-HNNXBMFYSA-N -1 0 340.404 2.898 20 30 EFEDRM Cc1cccnc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547013 1275438029 /nfs/dbraw/zinc/43/80/29/1275438029.db2.gz NVYRLJUAJQSXPU-CQSZACIVSA-N -1 0 327.771 2.682 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cnn1C(C)C ZINC000786547584 1275438860 /nfs/dbraw/zinc/43/88/60/1275438860.db2.gz TZUPZUUOFQOUFV-INIZCTEOSA-N -1 0 338.411 2.720 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3nccnc3c2)c1 ZINC000786548347 1275439011 /nfs/dbraw/zinc/43/90/11/1275439011.db2.gz JXQWWTXIXXJCCF-MRXNPFEDSA-N -1 0 344.374 2.577 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1C ZINC000786547344 1275439263 /nfs/dbraw/zinc/43/92/63/1275439263.db2.gz QRDUJEYVROVCRM-INIZCTEOSA-N -1 0 343.814 2.934 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)c1 ZINC000786553518 1275441315 /nfs/dbraw/zinc/44/13/15/1275441315.db2.gz VDELIRMGEQEVBR-SFHVURJKSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)c1 ZINC000786553517 1275441363 /nfs/dbraw/zinc/44/13/63/1275441363.db2.gz VDELIRMGEQEVBR-GOSISDBHSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)ccc1F ZINC000786552591 1275441478 /nfs/dbraw/zinc/44/14/78/1275441478.db2.gz OPNFIOAICLLCKG-OAHLLOKOSA-N -1 0 340.354 2.782 20 30 EFEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786566037 1275445034 /nfs/dbraw/zinc/44/50/34/1275445034.db2.gz VAUYRNZGSRDXNI-ZDUSSCGKSA-N -1 0 345.349 2.986 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571297 1275447513 /nfs/dbraw/zinc/44/75/13/1275447513.db2.gz WEVCSHDOZIQKKS-JTQLQIEISA-N -1 0 349.362 2.623 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(Cl)n1 ZINC000786571015 1275447820 /nfs/dbraw/zinc/44/78/20/1275447820.db2.gz QHSCBTGIXFTOFX-SNVBAGLBSA-N -1 0 349.724 2.652 20 30 EFEDRM C=CCCN(C)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000786672658 1275487798 /nfs/dbraw/zinc/48/77/98/1275487798.db2.gz ZXPAIWNBFAHKPQ-UHFFFAOYSA-N -1 0 332.425 2.859 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(OC)n1)c1ccccc1 ZINC000787034014 1275621240 /nfs/dbraw/zinc/62/12/40/1275621240.db2.gz YVYDLXDIZAIQAO-HUUCEWRRSA-N -1 0 337.379 2.680 20 30 EFEDRM CCCc1cc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)n[nH]1 ZINC000787045983 1275627910 /nfs/dbraw/zinc/62/79/10/1275627910.db2.gz LYRBUMUIYWJGKM-CVEARBPZSA-N -1 0 338.411 2.952 20 30 EFEDRM O=C([O-])CCOc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000746676908 1275752246 /nfs/dbraw/zinc/75/22/46/1275752246.db2.gz MGHPQUZMAICQKI-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCc2cc(F)ccc2F)c1)C(=O)[O-] ZINC000746679457 1275765735 /nfs/dbraw/zinc/76/57/35/1275765735.db2.gz HDZYBQZHIXQPOL-NSHDSACASA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@H](Oc1cccc(C=NNC(=S)Nc2ccccc2)c1)C(=O)[O-] ZINC000746679141 1275767377 /nfs/dbraw/zinc/76/73/77/1275767377.db2.gz MAJCMFYOSIPSFT-LBPRGKRZSA-N -1 0 343.408 2.859 20 30 EFEDRM CCCCCNC(=S)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000746681512 1275779155 /nfs/dbraw/zinc/77/91/55/1275779155.db2.gz CULSTTQMQBTMOJ-LBPRGKRZSA-N -1 0 337.445 2.527 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000746682547 1275781939 /nfs/dbraw/zinc/78/19/39/1275781939.db2.gz YUTRNMKYSFIHRO-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1n[n-]c2ccccc2c1=O ZINC000787841667 1275937546 /nfs/dbraw/zinc/93/75/46/1275937546.db2.gz AYFYTJQAMUOLAM-OAHLLOKOSA-N -1 0 330.347 2.624 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC000788205548 1276089609 /nfs/dbraw/zinc/08/96/09/1276089609.db2.gz OTRMRDVQXGWIJO-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM COC(=O)c1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)nc1 ZINC000788437954 1276164883 /nfs/dbraw/zinc/16/48/83/1276164883.db2.gz XWXFJSZMWHHSGB-UHFFFAOYSA-N -1 0 327.340 2.711 20 30 EFEDRM CC(=NN[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000788445555 1276174609 /nfs/dbraw/zinc/17/46/09/1276174609.db2.gz HRHJDFQKRAONSV-SECBINFHSA-N -1 0 333.613 2.911 20 30 EFEDRM C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccccc2O)CCC1 ZINC001062570346 1276272419 /nfs/dbraw/zinc/27/24/19/1276272419.db2.gz VLIBIZDGRJEIEJ-UONOGXRCSA-N -1 0 330.428 2.619 20 30 EFEDRM N#Cc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1F ZINC001170090504 1276344226 /nfs/dbraw/zinc/34/42/26/1276344226.db2.gz FYTOJANSFQAMFL-UHFFFAOYSA-N -1 0 340.236 2.816 20 30 EFEDRM CCCCCCCCCN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000817896678 1276364038 /nfs/dbraw/zinc/36/40/38/1276364038.db2.gz OSRBAKVPCMZTOE-SFHVURJKSA-N -1 0 340.464 2.519 20 30 EFEDRM Cc1nnc([S-])n(N=C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1=O ZINC000788953393 1276406654 /nfs/dbraw/zinc/40/66/54/1276406654.db2.gz BCBAFDMOESJLPI-MRVPVSSYSA-N -1 0 342.346 2.892 20 30 EFEDRM COc1cc(C)nc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000789022816 1276459559 /nfs/dbraw/zinc/45/95/59/1276459559.db2.gz FZHDRFTYUOXONZ-ZDUSSCGKSA-N -1 0 326.356 2.572 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccco3)s2)C(=O)O1 ZINC000789126159 1276521388 /nfs/dbraw/zinc/52/13/88/1276521388.db2.gz CRSSDOCWXSZCST-WSNITJDQSA-N -1 0 329.333 2.631 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(F)c1Cl ZINC000789479017 1276773676 /nfs/dbraw/zinc/77/36/76/1276773676.db2.gz INBPMFOGHYQAOK-UHFFFAOYSA-N -1 0 344.795 2.541 20 30 EFEDRM C=CCC[C@@H](C)N1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)CC1 ZINC001113078505 1276840770 /nfs/dbraw/zinc/84/07/70/1276840770.db2.gz LDTZQISBHPVZPS-OAHLLOKOSA-N -1 0 339.439 2.641 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000789616960 1276860781 /nfs/dbraw/zinc/86/07/81/1276860781.db2.gz MQEMBFNHQDBEMC-UHFFFAOYSA-N -1 0 343.832 2.656 20 30 EFEDRM Cc1sc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000819941935 1276962403 /nfs/dbraw/zinc/96/24/03/1276962403.db2.gz BUHZPQDPIXKUPG-MRVPVSSYSA-N -1 0 329.219 2.666 20 30 EFEDRM Cc1sc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Br ZINC000819944024 1276963589 /nfs/dbraw/zinc/96/35/89/1276963589.db2.gz OENXSPMSLZPRNM-SECBINFHSA-N -1 0 341.230 2.764 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000789949129 1277113246 /nfs/dbraw/zinc/11/32/46/1277113246.db2.gz ZUZDSMQNGDKMDW-SWLSCSKDSA-N -1 0 347.381 2.668 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000789949135 1277114158 /nfs/dbraw/zinc/11/41/58/1277114158.db2.gz ZUZDSMQNGDKMDW-WFASDCNBSA-N -1 0 347.381 2.668 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)OC)c1 ZINC000790046124 1277169935 /nfs/dbraw/zinc/16/99/35/1277169935.db2.gz WGUJRXLUMDWTQQ-UHFFFAOYSA-N -1 0 349.795 2.909 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC000820465016 1277182958 /nfs/dbraw/zinc/18/29/58/1277182958.db2.gz APIYVCWUSPWTBI-UHFFFAOYSA-N -1 0 348.362 2.866 20 30 EFEDRM CC[C@H](C)NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000790184215 1277331853 /nfs/dbraw/zinc/33/18/53/1277331853.db2.gz SBLIWAYACUTWHF-JTQLQIEISA-N -1 0 331.338 2.948 20 30 EFEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cnnn1-c1ccccc1 ZINC000821008931 1277416337 /nfs/dbraw/zinc/41/63/37/1277416337.db2.gz UVCWPBFYMWOYIQ-CLFYSBASSA-N -1 0 336.307 2.777 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000821058527 1277421036 /nfs/dbraw/zinc/42/10/36/1277421036.db2.gz DODDBHQOSVSJQS-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000821089072 1277436874 /nfs/dbraw/zinc/43/68/74/1277436874.db2.gz AZXZJDIZOXOHPT-UHFFFAOYSA-N -1 0 343.311 2.565 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000821140209 1277456197 /nfs/dbraw/zinc/45/61/97/1277456197.db2.gz QOOHVMGCDGSLEI-UHFFFAOYSA-N -1 0 334.328 2.824 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c(F)c1 ZINC000790393554 1277498198 /nfs/dbraw/zinc/49/81/98/1277498198.db2.gz IQJLFPRORJRBIU-UHFFFAOYSA-N -1 0 336.344 2.537 20 30 EFEDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790862452 1277840640 /nfs/dbraw/zinc/84/06/40/1277840640.db2.gz QXCSVIKMSVVLBL-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790863891 1277843218 /nfs/dbraw/zinc/84/32/18/1277843218.db2.gz IBJRLRNZJIDOHN-UHFFFAOYSA-N -1 0 348.346 2.818 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000791108163 1277950250 /nfs/dbraw/zinc/95/02/50/1277950250.db2.gz LWLDEYCTFVJARW-UHFFFAOYSA-N -1 0 337.784 2.683 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc3c2CCCC3)n[nH]c1C1CC1 ZINC000792662743 1279079709 /nfs/dbraw/zinc/07/97/09/1279079709.db2.gz YYBYTUYDZXDVPN-UHFFFAOYSA-N -1 0 342.424 2.838 20 30 EFEDRM C=CCC(C)(C)C(=O)N(C(=S)NC(=O)OC)c1ccccc1N ZINC001144077018 1279093055 /nfs/dbraw/zinc/09/30/55/1279093055.db2.gz WESJNTNKRDIBRY-UHFFFAOYSA-N -1 0 335.429 2.845 20 30 EFEDRM Cc1c([N-][NH+]=Cc2cnc(N3CCCC3)nc2)cccc1C(=O)[O-] ZINC000844627761 1279129563 /nfs/dbraw/zinc/12/95/63/1279129563.db2.gz QOVNCAFKCKEKRE-UHFFFAOYSA-N -1 0 325.372 2.529 20 30 EFEDRM Cc1c([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)cccc1C(=O)[O-] ZINC000844626917 1279129585 /nfs/dbraw/zinc/12/95/85/1279129585.db2.gz FEBDDSZLNFVDTI-UHFFFAOYSA-N -1 0 339.395 2.976 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)CC(C)(C)C ZINC000871865898 1287328938 /nfs/dbraw/zinc/32/89/38/1287328938.db2.gz XULUBLRVBDSMCV-UHFFFAOYSA-N -1 0 344.458 2.705 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(C(=O)N(C)C)cc1 ZINC000792870570 1279205018 /nfs/dbraw/zinc/20/50/18/1279205018.db2.gz AEBSLAJKLHJFAH-UHFFFAOYSA-N -1 0 325.368 2.923 20 30 EFEDRM COC(=O)c1nn(C)c(C)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000792891405 1279247000 /nfs/dbraw/zinc/24/70/00/1279247000.db2.gz UUICDTNCMCKKFV-ALCCZGGFSA-N -1 0 334.759 2.770 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000844796460 1279257098 /nfs/dbraw/zinc/25/70/98/1279257098.db2.gz UGYNVHZPFPLPHK-KFWWJZLASA-N -1 0 349.493 2.677 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000792916831 1279275563 /nfs/dbraw/zinc/27/55/63/1279275563.db2.gz DWTBSBQHWFWHDF-OQFOIZHKSA-N -1 0 340.335 2.898 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000792925441 1279279462 /nfs/dbraw/zinc/27/94/62/1279279462.db2.gz RTPXUIJWFWFGKV-JXMROGBWSA-N -1 0 340.335 2.898 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000792925443 1279280326 /nfs/dbraw/zinc/28/03/26/1279280326.db2.gz RTPXUIJWFWFGKV-YFHOEESVSA-N -1 0 340.335 2.898 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC000793054046 1279345194 /nfs/dbraw/zinc/34/51/94/1279345194.db2.gz BMMUYDHFGQGEJS-ZDUSSCGKSA-N -1 0 338.770 2.760 20 30 EFEDRM CC[C@@H](NN=C1CCc2cc(Br)ccc2C1)C(=O)[O-] ZINC000793055777 1279345712 /nfs/dbraw/zinc/34/57/12/1279345712.db2.gz CBNPVFLSGRFBAH-CYBMUJFWSA-N -1 0 325.206 2.747 20 30 EFEDRM CCCOc1c(Cl)cc(C=NN[C@@H](CC)C(=O)[O-])cc1OC ZINC000793055324 1279345759 /nfs/dbraw/zinc/34/57/59/1279345759.db2.gz LOJGSLDTWBLQOI-LBPRGKRZSA-N -1 0 328.796 2.924 20 30 EFEDRM CC[C@@H](NN=C1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)[O-] ZINC000793072869 1279357903 /nfs/dbraw/zinc/35/79/03/1279357903.db2.gz QOFXNNPTLMQMKJ-OAHLLOKOSA-N -1 0 341.814 2.884 20 30 EFEDRM CC[C@H](NN=C1CCCc2ccc(Br)cc21)C(=O)[O-] ZINC000793073469 1279358028 /nfs/dbraw/zinc/35/80/28/1279358028.db2.gz WBEUMRDVRAMDOL-LBPRGKRZSA-N -1 0 325.206 2.942 20 30 EFEDRM CC[C@@H](NN=C1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000793077996 1279360110 /nfs/dbraw/zinc/36/01/10/1279360110.db2.gz KSTJWKFUWGVVFN-NEPJUHHUSA-N -1 0 327.425 2.653 20 30 EFEDRM CC[C@H](NN=C([C@H](C)OCc1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000793058602 1279368064 /nfs/dbraw/zinc/36/80/64/1279368064.db2.gz WKFGWWCPUINUAA-JQWIXIFHSA-N -1 0 332.322 2.963 20 30 EFEDRM CC[C@@H](NN=C1CCc2c1c(Br)ccc2F)C(=O)[O-] ZINC000793059153 1279368259 /nfs/dbraw/zinc/36/82/59/1279368259.db2.gz YUHNGUGMSQJVPT-SNVBAGLBSA-N -1 0 329.169 2.691 20 30 EFEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2COC)cc1 ZINC000793127678 1279371251 /nfs/dbraw/zinc/37/12/51/1279371251.db2.gz XIURLAJUCLGVKT-CYBMUJFWSA-N -1 0 343.408 2.813 20 30 EFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000793195423 1279439340 /nfs/dbraw/zinc/43/93/40/1279439340.db2.gz LQQVNYGZBJVESN-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC(C)(C)C1 ZINC000793196344 1279441536 /nfs/dbraw/zinc/44/15/36/1279441536.db2.gz IUUKVTLQLKNGCG-CHWSQXEVSA-N -1 0 326.462 2.589 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000793349612 1279596276 /nfs/dbraw/zinc/59/62/76/1279596276.db2.gz SJLZZYZYRHQTON-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845442160 1279634029 /nfs/dbraw/zinc/63/40/29/1279634029.db2.gz WPCZABJFQPLAGF-INIZCTEOSA-N -1 0 348.406 2.915 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2 ZINC000845443423 1279635371 /nfs/dbraw/zinc/63/53/71/1279635371.db2.gz DATMYHDIKLNCSU-KGLIPLIRSA-N -1 0 330.432 2.799 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1)OCC ZINC000845894109 1279918201 /nfs/dbraw/zinc/91/82/01/1279918201.db2.gz YGXBEVIPMFLXTP-CQSZACIVSA-N -1 0 345.848 2.657 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000846149022 1280036717 /nfs/dbraw/zinc/03/67/17/1280036717.db2.gz FVVNHLPVXLGDKG-LBPRGKRZSA-N -1 0 333.413 2.643 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000846151085 1280038886 /nfs/dbraw/zinc/03/88/86/1280038886.db2.gz UZZFKVFMTFBMNG-UHFFFAOYSA-N -1 0 326.780 2.691 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000846151682 1280038967 /nfs/dbraw/zinc/03/89/67/1280038967.db2.gz DNPASCCGTJWBBT-JTQLQIEISA-N -1 0 338.454 2.726 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1COC(C)(C)CC ZINC000846153870 1280039494 /nfs/dbraw/zinc/03/94/94/1280039494.db2.gz MEIPNDALEVIPSH-CYBMUJFWSA-N -1 0 334.416 2.953 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000846157577 1280040866 /nfs/dbraw/zinc/04/08/66/1280040866.db2.gz VMYAXJNIFQQFQJ-QMMMGPOBSA-N -1 0 348.733 2.545 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000846157721 1280041110 /nfs/dbraw/zinc/04/11/10/1280041110.db2.gz WHSNVRYLDVBEDG-CQSZACIVSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000846145442 1280052383 /nfs/dbraw/zinc/05/23/83/1280052383.db2.gz DFBHCZWDVUTPTF-UHFFFAOYSA-N -1 0 342.342 2.705 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314160 1287397538 /nfs/dbraw/zinc/39/75/38/1287397538.db2.gz DUKSUTHSIPSKMK-UHFFFAOYSA-N -1 0 338.714 2.568 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846542702 1280237104 /nfs/dbraw/zinc/23/71/04/1280237104.db2.gz GJRMJRGJILFUEZ-MFKMUULPSA-N -1 0 335.795 2.567 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000846542859 1280237515 /nfs/dbraw/zinc/23/75/15/1280237515.db2.gz IDHOOOPXIJCCDP-BWSDNOOPSA-N -1 0 348.487 2.966 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000846547375 1280240630 /nfs/dbraw/zinc/24/06/30/1280240630.db2.gz KZEDMUXPDWHYLQ-GOEBONIOSA-N -1 0 334.416 2.950 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000846547113 1280240696 /nfs/dbraw/zinc/24/06/96/1280240696.db2.gz ILTAHYNSVRHTBY-ZWNOBZJWSA-N -1 0 332.429 2.591 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C ZINC000846550087 1280244080 /nfs/dbraw/zinc/24/40/80/1280244080.db2.gz UVNQOMMXVBYUOW-GFCCVEGCSA-N -1 0 348.428 2.829 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000846549981 1280244334 /nfs/dbraw/zinc/24/43/34/1280244334.db2.gz MVDNLCJGPLLBSQ-BDAKNGLRSA-N -1 0 332.169 2.978 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846553675 1280246480 /nfs/dbraw/zinc/24/64/80/1280246480.db2.gz FOSVUZDRDXWISS-QWRGUYRKSA-N -1 0 334.363 2.501 20 30 EFEDRM C=C(C)CO[N-]C(=O)COc1ccc(Br)cc1C(C)=O ZINC000846533519 1280250129 /nfs/dbraw/zinc/25/01/29/1280250129.db2.gz JSDDFEWMFSFXCS-UHFFFAOYSA-N -1 0 342.189 2.654 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000846766673 1280468060 /nfs/dbraw/zinc/46/80/60/1280468060.db2.gz HROZNEQMTIIAFC-UHFFFAOYSA-N -1 0 333.356 2.688 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000805865344 1280826346 /nfs/dbraw/zinc/82/63/46/1280826346.db2.gz FWECSRXUTIABOZ-UHFFFAOYSA-N -1 0 332.784 2.758 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COCc1ccccn1 ZINC000805844948 1280848023 /nfs/dbraw/zinc/84/80/23/1280848023.db2.gz PAPXNPODBYOFGO-INIZCTEOSA-N -1 0 347.374 2.980 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000123984505 1287470807 /nfs/dbraw/zinc/47/08/07/1287470807.db2.gz YVCDRNDNIKGGTA-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc(C#N)cn1)C1CCCCC1 ZINC000806554742 1281095390 /nfs/dbraw/zinc/09/53/90/1281095390.db2.gz DFJGNVHWUNOLMB-GOSISDBHSA-N -1 0 329.400 2.631 20 30 EFEDRM COC(=O)c1cc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)c[nH]1 ZINC000806560679 1281095945 /nfs/dbraw/zinc/09/59/45/1281095945.db2.gz NSSNVYMBECHZBN-KGBIHWOQSA-N -1 0 325.320 2.640 20 30 EFEDRM COC(=O)c1occc1/C=C1/C[C@@H](C(=O)[O-])c2ccccc2C1=O ZINC000806561783 1281096431 /nfs/dbraw/zinc/09/64/31/1281096431.db2.gz ZVXDUSVMUXAFTM-KOTGUFOOSA-N -1 0 326.304 2.904 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc1 ZINC000806564252 1281097186 /nfs/dbraw/zinc/09/71/86/1281097186.db2.gz NKCZJVMONDNDIY-TWGQIWQCSA-N -1 0 340.379 2.969 20 30 EFEDRM CC(C)n1cc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)nn1 ZINC000806570957 1281099298 /nfs/dbraw/zinc/09/92/98/1281099298.db2.gz BBMXYARPFZJFSP-KRZKBDHCSA-N -1 0 329.356 2.607 20 30 EFEDRM O=C([O-])c1csc(/C=C/C(=O)c2cccc(-n3ccnn3)c2)c1 ZINC000806575778 1281101118 /nfs/dbraw/zinc/10/11/18/1281101118.db2.gz MEGTVSMLAFRPGE-SNAWJCMRSA-N -1 0 325.349 2.923 20 30 EFEDRM C=CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccncc1 ZINC000747395612 1281306339 /nfs/dbraw/zinc/30/63/39/1281306339.db2.gz QQCBCQQNZOMWEJ-SNVBAGLBSA-N -1 0 338.483 2.748 20 30 EFEDRM N#Cc1c(F)ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001147884393 1281340512 /nfs/dbraw/zinc/34/05/12/1281340512.db2.gz ROJZTGHUAFJWLR-UHFFFAOYSA-N -1 0 340.289 2.568 20 30 EFEDRM C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1cccc(C#N)c1 ZINC000747412978 1281382610 /nfs/dbraw/zinc/38/26/10/1281382610.db2.gz CCYJUFCGCHUTOP-MRVPVSSYSA-N -1 0 336.467 2.668 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1 ZINC000808127106 1281527114 /nfs/dbraw/zinc/52/71/14/1281527114.db2.gz OMRIREHSGWXHCT-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCC3)cc1Cl ZINC000747477623 1281650901 /nfs/dbraw/zinc/65/09/01/1281650901.db2.gz DLALXKPATWQQRC-LBPRGKRZSA-N -1 0 338.816 2.597 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)cc1 ZINC000808979969 1281979460 /nfs/dbraw/zinc/97/94/60/1281979460.db2.gz PZJGVYBESUBSFJ-ZDUSSCGKSA-N -1 0 325.324 2.522 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1 ZINC000808978124 1281979569 /nfs/dbraw/zinc/97/95/69/1281979569.db2.gz HAQUFMUEVFDSBS-AWEZNQCLSA-N -1 0 330.432 2.793 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000872340246 1287544362 /nfs/dbraw/zinc/54/43/62/1287544362.db2.gz RKFLRIFXRREWCP-UHFFFAOYSA-N -1 0 346.412 2.701 20 30 EFEDRM COc1ccc2c(c1OC)O/C(=C\c1ccc(O)c(C(=O)[O-])c1)C2=O ZINC000809158351 1282069859 /nfs/dbraw/zinc/06/98/59/1282069859.db2.gz XOKCEAITUUBODB-ZSOIEALJSA-N -1 0 342.303 2.724 20 30 EFEDRM O=S(=O)([N-]c1nncs1)c1ccc(N=NC2CC[C@@H]3C[C@@H]32)cc1 ZINC000872355354 1287548904 /nfs/dbraw/zinc/54/89/04/1287548904.db2.gz HUKVOQYWNFMALS-SKDRFNHKSA-N -1 0 349.441 2.537 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000748003484 1287560911 /nfs/dbraw/zinc/56/09/11/1287560911.db2.gz YJZNKCUKEGCKTG-INIZCTEOSA-N -1 0 349.390 2.755 20 30 EFEDRM COc1ccc(C=NNC[C@H]2CCCC2(F)F)c(OCC(=O)[O-])c1 ZINC000872407735 1287566428 /nfs/dbraw/zinc/56/64/28/1287566428.db2.gz BYNDSCMGUAZTEB-GFCCVEGCSA-N -1 0 342.342 2.518 20 30 EFEDRM C[C@@H]1CC(N=Nc2cc(Br)ncn2)CC[C@H]1C(=O)[O-] ZINC000872436871 1287582270 /nfs/dbraw/zinc/58/22/70/1287582270.db2.gz SMNHXAAULPBZPA-VXNVDRBHSA-N -1 0 327.182 2.528 20 30 EFEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)NC(C)C)c2)n1 ZINC000124082394 1287583617 /nfs/dbraw/zinc/58/36/17/1287583617.db2.gz UXXDPNYJBHCNET-CQSZACIVSA-N -1 0 327.409 2.966 20 30 EFEDRM CC1(C)COc2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc21 ZINC000810535734 1283288606 /nfs/dbraw/zinc/28/86/06/1283288606.db2.gz HKIUZNSMOHHYST-AWEZNQCLSA-N -1 0 326.396 2.738 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1sc(-c2cccnc2)nc1C ZINC000747610608 1283382765 /nfs/dbraw/zinc/38/27/65/1283382765.db2.gz MYHCGEDZXYXDJL-UHFFFAOYSA-N -1 0 341.400 2.549 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000810779816 1283586026 /nfs/dbraw/zinc/58/60/26/1283586026.db2.gz CBTKNXPJPLESJX-UHFFFAOYSA-N -1 0 341.841 2.946 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000810781175 1283586344 /nfs/dbraw/zinc/58/63/44/1283586344.db2.gz IJYYXLHORKBBPF-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1c(C)c(C)oc1-c1ccccc1 ZINC000810782806 1283587565 /nfs/dbraw/zinc/58/75/65/1283587565.db2.gz YBPZCPFDHSOPMQ-UHFFFAOYSA-N -1 0 331.393 2.646 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000810785175 1283587844 /nfs/dbraw/zinc/58/78/44/1283587844.db2.gz ZMNDYCGLKMAEHF-UHFFFAOYSA-N -1 0 345.445 2.921 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2ccccc2C)CCCCC1 ZINC000810776928 1283633383 /nfs/dbraw/zinc/63/33/83/1283633383.db2.gz NNXBEYGGQLHMFM-UHFFFAOYSA-N -1 0 333.453 2.666 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000810775944 1283633638 /nfs/dbraw/zinc/63/36/38/1283633638.db2.gz AXJLMGVWAATEAO-UHFFFAOYSA-N -1 0 333.453 2.820 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1cccc(C)c1 ZINC000810772887 1283633801 /nfs/dbraw/zinc/63/38/01/1283633801.db2.gz JEFUGLLIILRJNQ-UHFFFAOYSA-N -1 0 343.404 2.870 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000810776770 1283633957 /nfs/dbraw/zinc/63/39/57/1283633957.db2.gz HTDKLFNMFCJIJU-HOTGVXAUSA-N -1 0 343.489 2.611 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000810778372 1283635849 /nfs/dbraw/zinc/63/58/49/1283635849.db2.gz VJWVZFOWSBIXTD-OLZOCXBDSA-N -1 0 346.235 2.566 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)OC3(CC#N)CCC3)cc2[n-]c1=S ZINC000810856595 1283758295 /nfs/dbraw/zinc/75/82/95/1283758295.db2.gz WIHGOAQGSYTNJB-UHFFFAOYSA-N -1 0 343.408 2.698 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000810979633 1283883176 /nfs/dbraw/zinc/88/31/76/1283883176.db2.gz GRUFZVHJKGLWGG-UHFFFAOYSA-N -1 0 337.445 2.626 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccccc2Cl)CC1 ZINC000810981728 1283884836 /nfs/dbraw/zinc/88/48/36/1283884836.db2.gz HVKIBWCOXAAYCI-UHFFFAOYSA-N -1 0 327.833 2.827 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(CCOCC)CCCC2)CC1 ZINC000810980333 1283886102 /nfs/dbraw/zinc/88/61/02/1283886102.db2.gz VEUQMFLZPSWCCN-UHFFFAOYSA-N -1 0 329.462 2.528 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCOc2cc(C)cc(C)c2)CC1 ZINC000810982274 1283907068 /nfs/dbraw/zinc/90/70/68/1283907068.db2.gz MDMCNVXFFFCHKX-UHFFFAOYSA-N -1 0 337.441 2.627 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cnc3ccccc3c2)CC1 ZINC000810983749 1283907360 /nfs/dbraw/zinc/90/73/60/1283907360.db2.gz YAJWYROYULHJAM-UHFFFAOYSA-N -1 0 344.436 2.722 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000810982045 1283907546 /nfs/dbraw/zinc/90/75/46/1283907546.db2.gz KQHNYHUKVGOSAP-UHFFFAOYSA-N -1 0 329.421 2.937 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2csc(CC(C)C)n2)CC1 ZINC000810982203 1283907904 /nfs/dbraw/zinc/90/79/04/1283907904.db2.gz ZAEHCLCEXBIHLD-UHFFFAOYSA-N -1 0 328.459 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC000810984535 1283909613 /nfs/dbraw/zinc/90/96/13/1283909613.db2.gz DWYSSJUWBOTFFB-CYBMUJFWSA-N -1 0 329.462 2.669 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(F)c2SC)CC1 ZINC000810984524 1283911580 /nfs/dbraw/zinc/91/15/80/1283911580.db2.gz DSMZOYHZRRRPHH-UHFFFAOYSA-N -1 0 329.418 2.716 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000810985439 1283913226 /nfs/dbraw/zinc/91/32/26/1283913226.db2.gz LVZBJTGDTDYNMR-UHFFFAOYSA-N -1 0 346.408 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2SCC)CC1 ZINC000810985138 1283913404 /nfs/dbraw/zinc/91/34/04/1283913404.db2.gz ZHYFZJZXZSVURG-UHFFFAOYSA-N -1 0 325.455 2.967 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000810985033 1283913785 /nfs/dbraw/zinc/91/37/85/1283913785.db2.gz VIQZBLXBIBTOBL-HNNXBMFYSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(N(C)CCC)cc2)CC1 ZINC000810986445 1283913918 /nfs/dbraw/zinc/91/39/18/1283913918.db2.gz ZVEKFQXROYOGCN-UHFFFAOYSA-N -1 0 336.457 2.701 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2cccc(C)c2)CC1 ZINC000810986563 1283914242 /nfs/dbraw/zinc/91/42/42/1283914242.db2.gz FNJXZNYZFMUXKN-UHFFFAOYSA-N -1 0 337.441 2.709 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000810987717 1283915022 /nfs/dbraw/zinc/91/50/22/1283915022.db2.gz XDDLUABSMPYFKC-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2OCC)CC1 ZINC000810987233 1283915382 /nfs/dbraw/zinc/91/53/82/1283915382.db2.gz CWKIZCAFFJRKIJ-UHFFFAOYSA-N -1 0 343.832 2.907 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2sccc2OC(F)F)CC1 ZINC000810986245 1283915391 /nfs/dbraw/zinc/91/53/91/1283915391.db2.gz SDVHTLHPPNUNEO-UHFFFAOYSA-N -1 0 337.369 2.518 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000810986083 1283915706 /nfs/dbraw/zinc/91/57/06/1283915706.db2.gz YFPMHLTUOACGKQ-UHFFFAOYSA-N -1 0 348.449 2.978 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000810988225 1283916436 /nfs/dbraw/zinc/91/64/36/1283916436.db2.gz DILLGEMFEMKDDA-UHFFFAOYSA-N -1 0 335.381 2.610 20 30 EFEDRM NC(=O)Cc1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000811624717 1284440896 /nfs/dbraw/zinc/44/08/96/1284440896.db2.gz OKWQYHNSRBACMF-OCKHKDLRSA-N -1 0 347.758 2.601 20 30 EFEDRM COc1ccnc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811638266 1284468891 /nfs/dbraw/zinc/46/88/91/1284468891.db2.gz LQMZASLIHATTCR-UHFFFAOYSA-N -1 0 326.356 2.726 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000811666469 1284494586 /nfs/dbraw/zinc/49/45/86/1284494586.db2.gz DWUMVKMZWSHSRO-CABCVRRESA-N -1 0 342.395 2.930 20 30 EFEDRM C=CCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000811682323 1284509158 /nfs/dbraw/zinc/50/91/58/1284509158.db2.gz WKYDIQIWNXKXKW-UHFFFAOYSA-N -1 0 328.434 2.528 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2C(F)(F)F)C(=O)O1 ZINC000811685235 1284512145 /nfs/dbraw/zinc/51/21/45/1284512145.db2.gz MNQUAZJTESUNGV-DLGQBQFBSA-N -1 0 330.283 2.995 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2C(F)(F)F)C(=O)O1 ZINC000811685237 1284512473 /nfs/dbraw/zinc/51/24/73/1284512473.db2.gz MNQUAZJTESUNGV-QAVQXKDTSA-N -1 0 330.283 2.995 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000811830516 1284659796 /nfs/dbraw/zinc/65/97/96/1284659796.db2.gz SAXMBPCZQBPFKT-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c(F)c1 ZINC000811830238 1284661080 /nfs/dbraw/zinc/66/10/80/1284661080.db2.gz GBVRPTCEAPMGIW-UHFFFAOYSA-N -1 0 339.779 2.996 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000811830202 1284662496 /nfs/dbraw/zinc/66/24/96/1284662496.db2.gz FDRZFAHRDIUHAK-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000811836324 1284666944 /nfs/dbraw/zinc/66/69/44/1284666944.db2.gz OMIASGRLWCSDDU-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C#CCON=Cc1ccc(Cl)c(I)c1[O-] ZINC000812232918 1284989012 /nfs/dbraw/zinc/98/90/12/1284989012.db2.gz JICZYVWORONDAS-UHFFFAOYSA-N -1 0 335.528 2.634 20 30 EFEDRM Cn1[n-]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1=O ZINC001136595435 1289028375 /nfs/dbraw/zinc/02/83/75/1289028375.db2.gz DEKLUBINISLRMS-UHFFFAOYSA-N -1 0 348.362 2.829 20 30 EFEDRM CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813983107 1286230830 /nfs/dbraw/zinc/23/08/30/1286230830.db2.gz IBKKBWQESDBGPN-INIZCTEOSA-N -1 0 337.445 2.755 20 30 EFEDRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813982624 1286231445 /nfs/dbraw/zinc/23/14/45/1286231445.db2.gz PAZQSFUEMBNWQQ-CQSZACIVSA-N -1 0 337.445 2.755 20 30 EFEDRM CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000813980978 1286231527 /nfs/dbraw/zinc/23/15/27/1286231527.db2.gz MKAGZNYBXCFJHY-GFCCVEGCSA-N -1 0 343.408 2.585 20 30 EFEDRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C ZINC000813985047 1286234895 /nfs/dbraw/zinc/23/48/95/1286234895.db2.gz LCAXQEKEVHDTIA-HNNXBMFYSA-N -1 0 337.445 2.611 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814012682 1286236489 /nfs/dbraw/zinc/23/64/89/1286236489.db2.gz JHMABMBAIIINCG-HIFRSBDPSA-N -1 0 325.430 2.565 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1 ZINC000814022158 1286243871 /nfs/dbraw/zinc/24/38/71/1286243871.db2.gz MITXARSHZGZDGK-QGZVFWFLSA-N -1 0 342.420 2.698 20 30 EFEDRM Cn1c2ccccc2c(C=Nn2c(=O)[n-][nH]c2=O)c1-c1ccccc1 ZINC000814231098 1286428119 /nfs/dbraw/zinc/42/81/19/1286428119.db2.gz LRLBXIZVSZDCGF-UHFFFAOYSA-N -1 0 333.351 2.730 20 30 EFEDRM Cc1cc(C=Nn2c(=O)[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000814233459 1286429739 /nfs/dbraw/zinc/42/97/39/1286429739.db2.gz QOEADKBRMCGFFP-UHFFFAOYSA-N -1 0 331.763 2.632 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC3CCC2CC3)n1 ZINC000814496327 1286705810 /nfs/dbraw/zinc/70/58/10/1286705810.db2.gz PLOOPIWFJVGYJR-NWINJMCUSA-N -1 0 332.425 2.997 20 30 EFEDRM C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000814685154 1286897131 /nfs/dbraw/zinc/89/71/31/1286897131.db2.gz LYLJKNZYJYYTBD-LDYMZIIASA-N -1 0 336.304 2.792 20 30 EFEDRM C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000814685151 1286897179 /nfs/dbraw/zinc/89/71/79/1286897179.db2.gz LYLJKNZYJYYTBD-KCJUWKMLSA-N -1 0 336.304 2.792 20 30 EFEDRM CCC(=NN1CCN(C)CC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814686275 1286898751 /nfs/dbraw/zinc/89/87/51/1286898751.db2.gz XJAQBNFINZAVEF-UHFFFAOYSA-N -1 0 347.459 2.682 20 30 EFEDRM Cn1c(=O)sc2cc(C=NNc3cccc(C(=O)[O-])c3)ccc21 ZINC000814687465 1286900997 /nfs/dbraw/zinc/90/09/97/1286900997.db2.gz JRAHHJWYMKZPCA-UHFFFAOYSA-N -1 0 327.365 2.744 20 30 EFEDRM CCC(=NN1CCOCC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814696474 1286914859 /nfs/dbraw/zinc/91/48/59/1286914859.db2.gz OJJMBDCUWJBNIX-UHFFFAOYSA-N -1 0 334.416 2.767 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCCC[C@@H]1C ZINC000814729943 1286953588 /nfs/dbraw/zinc/95/35/88/1286953588.db2.gz GTZWMILGEFMTFV-UMSGYPCISA-N -1 0 325.478 2.906 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000814717172 1286960149 /nfs/dbraw/zinc/96/01/49/1286960149.db2.gz BAVXIWQDJCIUNM-QMTHXVAHSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000814717173 1286962232 /nfs/dbraw/zinc/96/22/32/1286962232.db2.gz BAVXIWQDJCIUNM-YGRLFVJLSA-N -1 0 335.429 2.858 20 30 EFEDRM Cn1c(Cl)nc(Cl)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000814723544 1286965836 /nfs/dbraw/zinc/96/58/36/1286965836.db2.gz HTSFPBPHBCHELE-UHFFFAOYSA-N -1 0 345.137 2.508 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000814770450 1287013172 /nfs/dbraw/zinc/01/31/72/1287013172.db2.gz FPWRURWJUHFEQT-VXGBXAGGSA-N -1 0 342.399 2.705 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1nc2c(s1)CCCC2 ZINC000814780849 1287035519 /nfs/dbraw/zinc/03/55/19/1287035519.db2.gz KOPLFGOPGAVLGI-UHFFFAOYSA-N -1 0 342.449 2.903 20 30 EFEDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1C#N ZINC001174504559 1287044831 /nfs/dbraw/zinc/04/48/31/1287044831.db2.gz BTFPADLYOQREIE-UHFFFAOYSA-N -1 0 341.279 2.695 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814831708 1287078801 /nfs/dbraw/zinc/07/88/01/1287078801.db2.gz NLPJALRPRPPJSP-XHDPSFHLSA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCC2CCC2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814833393 1287081518 /nfs/dbraw/zinc/08/15/18/1287081518.db2.gz HYGUHYXNASUMJF-CMPLNLGQSA-N -1 0 325.478 2.764 20 30 EFEDRM C[C@@H]1CC(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000814838083 1287086863 /nfs/dbraw/zinc/08/68/63/1287086863.db2.gz AEBHERIJYRAIFO-IAQYHMDHSA-N -1 0 348.472 2.916 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@H](C#N)C1)[n-]c2=O ZINC000814846277 1287096581 /nfs/dbraw/zinc/09/65/81/1287096581.db2.gz CWHAHRIJKPTOTK-JTQLQIEISA-N -1 0 327.392 2.769 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccccc1S(C)(=O)=O ZINC000814846079 1287097008 /nfs/dbraw/zinc/09/70/08/1287097008.db2.gz GBKKJOAXCXIRHJ-UHFFFAOYSA-N -1 0 346.408 2.851 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1ncc(F)cn1 ZINC000814890198 1287131123 /nfs/dbraw/zinc/13/11/23/1287131123.db2.gz XMJSWSYBSKWNEH-LBPRGKRZSA-N -1 0 346.362 2.888 20 30 EFEDRM CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814908802 1287147604 /nfs/dbraw/zinc/14/76/04/1287147604.db2.gz TYJTUAYMOZUYST-HIFRSBDPSA-N -1 0 334.416 2.810 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCCc1ccncc1 ZINC000814924540 1287158542 /nfs/dbraw/zinc/15/85/42/1287158542.db2.gz RCDCFHRBFAWDLO-UHFFFAOYSA-N -1 0 341.411 2.686 20 30 EFEDRM C[C@H]1C(N=Nc2ccc(-n3ccnc3)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814915179 1287173661 /nfs/dbraw/zinc/17/36/61/1287173661.db2.gz PYSFXTZPERQJGE-RYUDHWBXSA-N -1 0 342.403 2.587 20 30 EFEDRM CC(N=Nc1ccc(-n2ccnc2)nn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814915037 1287173839 /nfs/dbraw/zinc/17/38/39/1287173839.db2.gz MXYKSEYVMFEIJB-OLZOCXBDSA-N -1 0 342.403 2.587 20 30 EFEDRM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1nc(-c2cccnc2)no1 ZINC000814947903 1287178430 /nfs/dbraw/zinc/17/84/30/1287178430.db2.gz PNUNGXPMGOODHT-UHFFFAOYSA-N -1 0 334.339 2.517 20 30 EFEDRM CC(N=Nc1nc(-c2cccnc2)no1)c1csc(C(=O)[O-])c1 ZINC000814949575 1287181742 /nfs/dbraw/zinc/18/17/42/1287181742.db2.gz CYMHXNFUXSOKQK-UHFFFAOYSA-N -1 0 329.341 2.727 20 30 EFEDRM Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NNCC(=O)[O-])c1 ZINC000814958211 1287187186 /nfs/dbraw/zinc/18/71/86/1287187186.db2.gz FFRAGGMBTGPCIM-UHFFFAOYSA-N -1 0 348.406 2.915 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815793257 1287839941 /nfs/dbraw/zinc/83/99/41/1287839941.db2.gz OQJFASHWXWHYJI-GFCCVEGCSA-N -1 0 347.440 2.725 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000815907228 1287877296 /nfs/dbraw/zinc/87/72/96/1287877296.db2.gz WAUWXJDUQIPTOD-CQSZACIVSA-N -1 0 326.377 2.590 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(CC)nc1C ZINC000815908970 1287879422 /nfs/dbraw/zinc/87/94/22/1287879422.db2.gz OCYCNBRNXDDDHM-LBPRGKRZSA-N -1 0 341.367 2.905 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000815910497 1287879794 /nfs/dbraw/zinc/87/97/94/1287879794.db2.gz YWOUCJBPDNAQLZ-QMMMGPOBSA-N -1 0 343.246 2.920 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000815911777 1287879820 /nfs/dbraw/zinc/87/98/20/1287879820.db2.gz NYVPPEIJUGDWAQ-LBPRGKRZSA-N -1 0 335.791 2.515 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(Br)c2ccccc2c1 ZINC000815911613 1287880144 /nfs/dbraw/zinc/88/01/44/1287880144.db2.gz HNCRXDBUVYQCJG-LBPRGKRZSA-N -1 0 331.169 2.671 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000815895727 1287886975 /nfs/dbraw/zinc/88/69/75/1287886975.db2.gz FCFKRVZCQNNNEW-UHFFFAOYSA-N -1 0 343.273 2.722 20 30 EFEDRM CCn1nc(C)c(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000815899358 1287889721 /nfs/dbraw/zinc/88/97/21/1287889721.db2.gz OABXXDGFRJUKJR-CYBMUJFWSA-N -1 0 335.367 2.602 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000815922717 1287893253 /nfs/dbraw/zinc/89/32/53/1287893253.db2.gz YRZRUVXKHJXKAP-LBPRGKRZSA-N -1 0 338.396 2.615 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000815942025 1287900596 /nfs/dbraw/zinc/90/05/96/1287900596.db2.gz VVBATDFEHZCCML-SNVBAGLBSA-N -1 0 329.360 2.845 20 30 EFEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2c1 ZINC000815913563 1287905193 /nfs/dbraw/zinc/90/51/93/1287905193.db2.gz VTNBUPRNQVJTMY-CYBMUJFWSA-N -1 0 327.409 2.986 20 30 EFEDRM Cc1ccc2snc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2c1 ZINC000815913564 1287905447 /nfs/dbraw/zinc/90/54/47/1287905447.db2.gz VTNBUPRNQVJTMY-ZDUSSCGKSA-N -1 0 327.409 2.986 20 30 EFEDRM N#Cc1ccc(-c2csc(Nc3cnn(CC(=O)[O-])c3)n2)s1 ZINC001176270126 1287936087 /nfs/dbraw/zinc/93/60/87/1287936087.db2.gz WIFLBSMXJVELDB-UHFFFAOYSA-N -1 0 331.382 2.768 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1 ZINC000816037894 1287949133 /nfs/dbraw/zinc/94/91/33/1287949133.db2.gz ZZGCBPSWJWDTQM-ZDUSSCGKSA-N -1 0 331.759 2.584 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000816082435 1287978117 /nfs/dbraw/zinc/97/81/17/1287978117.db2.gz DGPJYEPNUNGHDW-UHFFFAOYSA-N -1 0 331.365 2.918 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816106768 1287988578 /nfs/dbraw/zinc/98/85/78/1287988578.db2.gz UOBUWFNMFXKZFM-INIZCTEOSA-N -1 0 346.408 2.917 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816113190 1287999852 /nfs/dbraw/zinc/99/98/52/1287999852.db2.gz MQCNYWIWWNMSPH-KRWDZBQOSA-N -1 0 339.457 2.813 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OC[C@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000816977093 1288357501 /nfs/dbraw/zinc/35/75/01/1288357501.db2.gz QQDKIKNVJHYLCT-KDOFPFPSSA-N -1 0 338.448 2.873 20 30 EFEDRM Cc1cc(C#N)c(F)cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC001177343753 1288401225 /nfs/dbraw/zinc/40/12/25/1288401225.db2.gz QBJBRERENAAJFI-UHFFFAOYSA-N -1 0 340.430 2.877 20 30 EFEDRM N#CCc1cc(NC(=O)CSc2n[n-]c(=S)s2)ccc1F ZINC001177343779 1288401561 /nfs/dbraw/zinc/40/15/61/1288401561.db2.gz RPLKZAQROXWLQB-UHFFFAOYSA-N -1 0 340.430 2.763 20 30 EFEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C#N)cc1C(C)=O ZINC000817352812 1288547077 /nfs/dbraw/zinc/54/70/77/1288547077.db2.gz MWAJYYJRPFSCDR-CQSZACIVSA-N -1 0 338.429 2.564 20 30 EFEDRM COc1cc(OC)c(C(=O)[O-])cc1/C=C\C(=O)c1c(C)nn(C)c1C ZINC000863185683 1302551232 /nfs/dbraw/zinc/55/12/32/1302551232.db2.gz ZFJWUNVMOUXJQF-SREVYHEPSA-N -1 0 344.367 2.648 20 30 EFEDRM COc1ccc([C@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123014517 1305220330 /nfs/dbraw/zinc/22/03/30/1305220330.db2.gz HIHIYZCRYYSUQW-IUODEOHRSA-N -1 0 325.368 2.514 20 30 EFEDRM C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000870243452 1305221492 /nfs/dbraw/zinc/22/14/92/1305221492.db2.gz NLNVAWUJTAOGME-SWLSCSKDSA-N -1 0 327.359 2.720 20 30 EFEDRM O=C([N-]Cc1cnn(CC(F)(F)F)c1)C(F)(F)C(F)(F)Cl ZINC001179781794 1289255810 /nfs/dbraw/zinc/25/58/10/1289255810.db2.gz QJGMFRGNTLYNIP-UHFFFAOYSA-N -1 0 341.614 2.529 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC000823372017 1289281623 /nfs/dbraw/zinc/28/16/23/1289281623.db2.gz RYQWPRPMXORYDP-MRXNPFEDSA-N -1 0 328.368 2.701 20 30 EFEDRM COC(=O)[C@H]([N-]c1c(F)c(F)c(C#N)c(F)c1F)C(F)(F)F ZINC001171015597 1289290532 /nfs/dbraw/zinc/29/05/32/1289290532.db2.gz QCBVEAPMXOFIPA-VIFPVBQESA-N -1 0 330.159 2.630 20 30 EFEDRM N#Cc1cc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c([O-])cc1F ZINC001180184228 1289430727 /nfs/dbraw/zinc/43/07/27/1289430727.db2.gz MUKSAVVJUFXCSO-HNNXBMFYSA-N -1 0 326.283 2.643 20 30 EFEDRM CC(C)(SCC(=O)[O-])C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000872874311 1289438040 /nfs/dbraw/zinc/43/80/40/1289438040.db2.gz ACFRDFQTBFDKDF-AWEZNQCLSA-N -1 0 332.425 2.648 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000823953554 1289487839 /nfs/dbraw/zinc/48/78/39/1289487839.db2.gz GNMJNCUAHMITJW-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])CO2 ZINC001180361044 1289497140 /nfs/dbraw/zinc/49/71/40/1289497140.db2.gz USWHLERTPIYEJU-GFCCVEGCSA-N -1 0 342.326 2.601 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(=O)NO[C@@H](C)C=C)c1ccc(C)cc1 ZINC000824033163 1289516100 /nfs/dbraw/zinc/51/61/00/1289516100.db2.gz DPHJFBOPSMHNID-UXLLHSPISA-N -1 0 346.427 2.713 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC=CCC2)cc1Cl ZINC000873502008 1289877526 /nfs/dbraw/zinc/87/75/26/1289877526.db2.gz NHHOAURUHDMSPB-UHFFFAOYSA-N -1 0 338.816 2.763 20 30 EFEDRM CC[C@@H](Cc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000873517482 1289888083 /nfs/dbraw/zinc/88/80/83/1289888083.db2.gz YXKWJWZIDLPPPX-HNNXBMFYSA-N -1 0 336.457 2.560 20 30 EFEDRM N#CCCCC(=O)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000873582797 1289943806 /nfs/dbraw/zinc/94/38/06/1289943806.db2.gz VSMDQHZUNYDLPX-UHFFFAOYSA-N -1 0 335.212 2.633 20 30 EFEDRM N#CCCN(CCC#N)Cc1cc(F)c([O-])c(Br)c1 ZINC001232635072 1312748431 /nfs/dbraw/zinc/74/84/31/1312748431.db2.gz KZSGXRNYVCMXTR-UHFFFAOYSA-N -1 0 326.169 2.923 20 30 EFEDRM C=C(C)C(C)(C)C(=O)N1CCC(C)(NC(=O)c2ncccc2O)CC1 ZINC000956347406 1290107618 /nfs/dbraw/zinc/10/76/18/1290107618.db2.gz GKQWYZTYQNIPEA-UHFFFAOYSA-N -1 0 345.443 2.500 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC000873934074 1290127828 /nfs/dbraw/zinc/12/78/28/1290127828.db2.gz HFJIVNQAVZLGQC-JTQLQIEISA-N -1 0 330.306 2.883 20 30 EFEDRM N#Cc1cc(NC(=O)CCC(=O)OC2CCCCC2)c([O-])cc1F ZINC001182905499 1290276747 /nfs/dbraw/zinc/27/67/47/1290276747.db2.gz KULWLOWMBXUMGS-UHFFFAOYSA-N -1 0 334.347 2.998 20 30 EFEDRM C=CCOC(=O)N1CCC(CNC(=O)Cc2ccc([S-])cc2)CC1 ZINC001183192040 1290307795 /nfs/dbraw/zinc/30/77/95/1290307795.db2.gz KRHVXKWNGOZEEC-UHFFFAOYSA-N -1 0 348.468 2.669 20 30 EFEDRM COc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000091698812 1290334512 /nfs/dbraw/zinc/33/45/12/1290334512.db2.gz QZZPJYLTUYNNGO-UHFFFAOYSA-N -1 0 340.788 2.578 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)nc2)c2ccccc12 ZINC001184995901 1290570612 /nfs/dbraw/zinc/57/06/12/1290570612.db2.gz GVZVZLKYGPBAMV-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1C#N ZINC001185134696 1290601092 /nfs/dbraw/zinc/60/10/92/1290601092.db2.gz ABGZZQHPJNCRGJ-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1F ZINC001185906279 1290782358 /nfs/dbraw/zinc/78/23/58/1290782358.db2.gz QRQREYAUHHCZHQ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1C#N ZINC001185953806 1290790433 /nfs/dbraw/zinc/79/04/33/1290790433.db2.gz AJWSSEWXBPKQJR-UHFFFAOYSA-N -1 0 345.384 2.521 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C#N ZINC001185917739 1290792527 /nfs/dbraw/zinc/79/25/27/1290792527.db2.gz IZGZTPJFBOROOC-UHFFFAOYSA-N -1 0 344.392 2.983 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000092693275 1290821840 /nfs/dbraw/zinc/82/18/40/1290821840.db2.gz MEFGQIDSBJVCOJ-UHFFFAOYSA-N -1 0 334.397 2.960 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C#N ZINC001186193338 1290890362 /nfs/dbraw/zinc/89/03/62/1290890362.db2.gz PBPSSYWOQKOBGK-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CCn1nnc(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498003 1290932150 /nfs/dbraw/zinc/93/21/50/1290932150.db2.gz KZNWXTPKPGEPNI-BQYQJAHWSA-N -1 0 343.383 2.988 20 30 EFEDRM N#Cc1cc(Nc2cnn(CCO[C@@H]3CCCCO3)c2)c([O-])cc1F ZINC001212955233 1291063334 /nfs/dbraw/zinc/06/33/34/1291063334.db2.gz GPGFXPLAMDYIQH-QGZVFWFLSA-N -1 0 346.362 2.886 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC001187368604 1291152417 /nfs/dbraw/zinc/15/24/17/1291152417.db2.gz IAVFYPAXRJVCGB-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2nccs2)cc(C(F)(F)F)c1 ZINC001187894899 1291255555 /nfs/dbraw/zinc/25/55/55/1291255555.db2.gz RQHJKMJDCRCECY-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187890832 1291265990 /nfs/dbraw/zinc/26/59/90/1291265990.db2.gz OSNIKLDZSOZQCU-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nnccc1C(=O)OCC ZINC001187994975 1291281042 /nfs/dbraw/zinc/28/10/42/1291281042.db2.gz WWBSRTGUKKBKEH-UHFFFAOYSA-N -1 0 343.449 2.756 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188039626 1291285395 /nfs/dbraw/zinc/28/53/95/1291285395.db2.gz GYDHYCVHGXPTMY-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188610031 1291422233 /nfs/dbraw/zinc/42/22/33/1291422233.db2.gz FRZNNOJBLAVKOY-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1c[nH]c(C(F)(F)F)c1 ZINC000796744079 1291441690 /nfs/dbraw/zinc/44/16/90/1291441690.db2.gz CXNIRBWLIIMICX-GFCCVEGCSA-N -1 0 335.285 2.672 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)CCc2ccc(Cl)cc2)SCC1=O ZINC001189073013 1291573180 /nfs/dbraw/zinc/57/31/80/1291573180.db2.gz IHOIWNAHZHMVAR-UHFFFAOYSA-N -1 0 342.829 2.963 20 30 EFEDRM COc1cc(OC)nc(C(=O)[N-]c2sc3ccccc3c2C#N)n1 ZINC001189217943 1291641350 /nfs/dbraw/zinc/64/13/50/1291641350.db2.gz BYMYJYDFKRBGFG-UHFFFAOYSA-N -1 0 340.364 2.832 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189686237 1291801890 /nfs/dbraw/zinc/80/18/90/1291801890.db2.gz FAOGIGQAKVVIRY-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(C#N)c1C ZINC001189648873 1291803296 /nfs/dbraw/zinc/80/32/96/1291803296.db2.gz FBCDCTDHJPEBJX-UHFFFAOYSA-N -1 0 326.324 2.988 20 30 EFEDRM O=S(=O)(Cc1cc(F)ccc1F)[N-]CC(F)(F)C(F)(F)F ZINC001189701059 1291821751 /nfs/dbraw/zinc/82/17/51/1291821751.db2.gz XGOVMDVXZJZBRW-UHFFFAOYSA-N -1 0 339.232 2.582 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000775295688 1291822183 /nfs/dbraw/zinc/82/21/83/1291822183.db2.gz PLJKQPCYKLAZKT-UHFFFAOYSA-N -1 0 345.405 2.504 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775308234 1291846380 /nfs/dbraw/zinc/84/63/80/1291846380.db2.gz HSYVOEGRZIEGBD-UHFFFAOYSA-N -1 0 327.402 2.581 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189781079 1291857695 /nfs/dbraw/zinc/85/76/95/1291857695.db2.gz XTQXCTQWXIVUOS-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM C=CCOCc1nn(C)c2c1CN(Cc1ccc([S-])cc1)CC2 ZINC001233259743 1312887454 /nfs/dbraw/zinc/88/74/54/1312887454.db2.gz DECIEYBHMUOIAO-UHFFFAOYSA-N -1 0 329.469 2.970 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c(F)c1Cl ZINC001190183840 1292049912 /nfs/dbraw/zinc/04/99/12/1292049912.db2.gz WZOIVABMTLUELM-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190295395 1292110875 /nfs/dbraw/zinc/11/08/75/1292110875.db2.gz DTTDLCUSIGUPNL-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC001190297690 1292112390 /nfs/dbraw/zinc/11/23/90/1292112390.db2.gz MJMSRCLQLTVCAX-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#CC12CCC([N-]S(=O)(=O)c3cc(F)cc(F)c3F)(CC1)CC2 ZINC001190411500 1292168079 /nfs/dbraw/zinc/16/80/79/1292168079.db2.gz WCFZVFFUVKCVIV-UHFFFAOYSA-N -1 0 344.358 2.999 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2nnc(Br)s2)c1F ZINC001190525187 1292199582 /nfs/dbraw/zinc/19/95/82/1292199582.db2.gz MBANDGVDBPLJHT-UHFFFAOYSA-N -1 0 327.138 2.564 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC001190616016 1292226242 /nfs/dbraw/zinc/22/62/42/1292226242.db2.gz GEBDHISLNSTZFT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)c1 ZINC001190619383 1292228431 /nfs/dbraw/zinc/22/84/31/1292228431.db2.gz JPQFXJOWLXKNIL-UHFFFAOYSA-N -1 0 327.287 2.831 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cn1 ZINC001190619599 1292228770 /nfs/dbraw/zinc/22/87/70/1292228770.db2.gz VDKZGROHKOLMAA-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM Cc1c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc2nn1C ZINC001190647661 1292263652 /nfs/dbraw/zinc/26/36/52/1292263652.db2.gz FNDFKNUNWIEUNG-UHFFFAOYSA-N -1 0 344.371 2.693 20 30 EFEDRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650623 1292264567 /nfs/dbraw/zinc/26/45/67/1292264567.db2.gz JBUWWHSXCYKTKM-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190655618 1292268467 /nfs/dbraw/zinc/26/84/67/1292268467.db2.gz HNHMQDVQJSBMJQ-UHFFFAOYSA-N -1 0 348.399 2.732 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C#N ZINC001190657555 1292270419 /nfs/dbraw/zinc/27/04/19/1292270419.db2.gz CUSVQKNLHVORPK-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM N#Cc1c2ccc(Cl)cc2sc1[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190690267 1292285061 /nfs/dbraw/zinc/28/50/61/1292285061.db2.gz YMCBGBIILMXHMZ-UHFFFAOYSA-N -1 0 338.801 2.950 20 30 EFEDRM C=CCC1(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2F)CC1 ZINC001190766964 1292306582 /nfs/dbraw/zinc/30/65/82/1292306582.db2.gz ZJSAYTSNIPJSEJ-UHFFFAOYSA-N -1 0 327.377 2.853 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)C(C)C)CC1 ZINC001190805943 1292322902 /nfs/dbraw/zinc/32/29/02/1292322902.db2.gz XXVKLTPLOZMSDP-UHFFFAOYSA-N -1 0 343.470 2.719 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2oc(C(C)C)nc2C)n1 ZINC000796181574 1292332731 /nfs/dbraw/zinc/33/27/31/1292332731.db2.gz BIRDIZNSVDUVNI-LLVKDONJSA-N -1 0 347.396 2.905 20 30 EFEDRM Cn1ncc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc21 ZINC001190932485 1292374540 /nfs/dbraw/zinc/37/45/40/1292374540.db2.gz VKUJUBVYOUYAKP-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nccc3cnccc32)c1 ZINC001190938934 1292378248 /nfs/dbraw/zinc/37/82/48/1292378248.db2.gz GYWDVXZHDXIWGY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn3ccnc3c2)c1 ZINC001190942999 1292380490 /nfs/dbraw/zinc/38/04/90/1292380490.db2.gz QEPLYJHDVKWISA-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(F)c(F)c2)c1 ZINC001190943262 1292382889 /nfs/dbraw/zinc/38/28/89/1292382889.db2.gz YJTKILUPOYOJLH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cn1ncc2c1cccc2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190969842 1292404234 /nfs/dbraw/zinc/40/42/34/1292404234.db2.gz OGZTZFIRSOYSJB-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000114618364 1312934509 /nfs/dbraw/zinc/93/45/09/1312934509.db2.gz WKOBCYUQNAVQSC-LBPRGKRZSA-N -1 0 329.743 2.596 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C#N)n1 ZINC001191662343 1292608446 /nfs/dbraw/zinc/60/84/46/1292608446.db2.gz CZRNCOBQXBFTAJ-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccn1 ZINC001191728709 1292625863 /nfs/dbraw/zinc/62/58/63/1292625863.db2.gz ILUNXBKUDOGPDT-UHFFFAOYSA-N -1 0 341.219 2.901 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)c1Cl ZINC001191732121 1292644305 /nfs/dbraw/zinc/64/43/05/1292644305.db2.gz WAUQRTZIHNKTEF-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM N#C[C@H](NC(=O)c1nc(Br)ccc1[O-])c1ccccc1 ZINC001191733654 1292646174 /nfs/dbraw/zinc/64/61/74/1292646174.db2.gz LANNVOUDLPSUAY-JTQLQIEISA-N -1 0 332.157 2.544 20 30 EFEDRM C#Cc1ccc(NC(=O)c2nc(Br)ccc2[O-])cc1F ZINC001191749069 1292648574 /nfs/dbraw/zinc/64/85/74/1292648574.db2.gz PBQMTGVVCCEILF-UHFFFAOYSA-N -1 0 335.132 2.922 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1 ZINC001191827699 1292682900 /nfs/dbraw/zinc/68/29/00/1292682900.db2.gz FPYMFAJBSKBGKB-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCCC3)cc1Cl ZINC000903615633 1312946034 /nfs/dbraw/zinc/94/60/34/1312946034.db2.gz GHFDFAPXOYNQCF-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1 ZINC001191935766 1292720413 /nfs/dbraw/zinc/72/04/13/1292720413.db2.gz DQFHQKQDIPKPNG-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM COc1ccc2cc(S(=O)(=O)[N-]c3cnccc3C#N)ccc2c1 ZINC001191940731 1292721065 /nfs/dbraw/zinc/72/10/65/1292721065.db2.gz QKTVEVVXAUVELO-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192041515 1292756920 /nfs/dbraw/zinc/75/69/20/1292756920.db2.gz YAQJXLBZUSGERZ-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1C#N ZINC001192140816 1292807798 /nfs/dbraw/zinc/80/77/98/1292807798.db2.gz JIGVXFCVRPKZLZ-UHFFFAOYSA-N -1 0 344.392 2.685 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC001192576667 1292928866 /nfs/dbraw/zinc/92/88/66/1292928866.db2.gz RCNIQXGXHAJMME-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1C#N ZINC001192665875 1293000095 /nfs/dbraw/zinc/00/00/95/1293000095.db2.gz WPDDPACSBJXSMV-UHFFFAOYSA-N -1 0 331.278 2.753 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)c1 ZINC001192775929 1293033678 /nfs/dbraw/zinc/03/36/78/1293033678.db2.gz UCWASDXKQBGNKN-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(O)cccc2C#N)c1 ZINC001192815745 1293058862 /nfs/dbraw/zinc/05/88/62/1293058862.db2.gz COZANEBLAWTLMG-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM CC(C)(C)OC(=O)n1ccc2c1cccc2[N-]S(=O)(=O)CC#N ZINC001192982242 1293116006 /nfs/dbraw/zinc/11/60/06/1293116006.db2.gz LIHFKFDYQFMGDX-UHFFFAOYSA-N -1 0 335.385 2.690 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001192975786 1293129816 /nfs/dbraw/zinc/12/98/16/1293129816.db2.gz VPDFQDXSFCHIAS-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001192980330 1293131348 /nfs/dbraw/zinc/13/13/48/1293131348.db2.gz GWTWTJYELKTJQZ-UHFFFAOYSA-N -1 0 348.224 2.869 20 30 EFEDRM CCOC(=O)c1c([N-]S(=O)(=O)[C@@H](C)C#N)scc1C(C)C ZINC001193104060 1293170753 /nfs/dbraw/zinc/17/07/53/1293170753.db2.gz FEXJNAFWBNVAJV-VIFPVBQESA-N -1 0 330.431 2.702 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1nc2cccc(Br)c2s1 ZINC001193105961 1293171637 /nfs/dbraw/zinc/17/16/37/1293171637.db2.gz HRJFUTNHJRNJQN-ZCFIWIBFSA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2cccc(Br)c2c1 ZINC001193107229 1293171898 /nfs/dbraw/zinc/17/18/98/1293171898.db2.gz RKHDONJDMXIBDU-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(OC(F)(F)F)c1 ZINC001193151941 1293186949 /nfs/dbraw/zinc/18/69/49/1293186949.db2.gz XFXWBPIBCIULTI-ZCFIWIBFSA-N -1 0 328.699 2.892 20 30 EFEDRM COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)[C@@H](C)C#N)cc1 ZINC001193157211 1293188750 /nfs/dbraw/zinc/18/87/50/1293188750.db2.gz BWQPUDITDLWOCB-LBPRGKRZSA-N -1 0 344.392 2.580 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(O)cc(C(F)(F)F)cc1Cl ZINC001193158871 1293189017 /nfs/dbraw/zinc/18/90/17/1293189017.db2.gz WACSZZNUAVXFQN-RXMQYKEDSA-N -1 0 328.699 2.718 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC001193157702 1293189082 /nfs/dbraw/zinc/18/90/82/1293189082.db2.gz IDFIYTVRGVKEGY-YFKPBYRVSA-N -1 0 341.589 2.895 20 30 EFEDRM CCOC(=O)/C=C/c1ccc(Cl)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193160305 1293189774 /nfs/dbraw/zinc/18/97/74/1293189774.db2.gz BTFYEHVGDHBFBF-STUBTGCMSA-N -1 0 342.804 2.570 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)ccnc12 ZINC001193161113 1293190287 /nfs/dbraw/zinc/19/02/87/1293190287.db2.gz LTABQWBNPLQVCJ-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c2cnccc12 ZINC001193158998 1293190446 /nfs/dbraw/zinc/19/04/46/1293190446.db2.gz YEPLHPVABQQDBU-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001193162215 1293191524 /nfs/dbraw/zinc/19/15/24/1293191524.db2.gz WIUQNLRIUJZMSD-ZCFIWIBFSA-N -1 0 337.710 2.884 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001193162421 1293191581 /nfs/dbraw/zinc/19/15/81/1293191581.db2.gz ZIZOJDMWSNSVFU-MRVPVSSYSA-N -1 0 343.311 2.597 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cnco2)c(OC(F)F)c1 ZINC001193162423 1293191621 /nfs/dbraw/zinc/19/16/21/1293191621.db2.gz ZIZOJDMWSNSVFU-QMMMGPOBSA-N -1 0 343.311 2.597 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229344 1293225057 /nfs/dbraw/zinc/22/50/57/1293225057.db2.gz IIGGJXVXPMEUMF-UHFFFAOYSA-N -1 0 346.726 2.662 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c1 ZINC001193391111 1293287119 /nfs/dbraw/zinc/28/71/19/1293287119.db2.gz GUKSKBAUEJFTKG-UHFFFAOYSA-N -1 0 348.380 2.664 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC001193436551 1293290450 /nfs/dbraw/zinc/29/04/50/1293290450.db2.gz LASGGUDKGAYTFQ-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001193426332 1293304123 /nfs/dbraw/zinc/30/41/23/1293304123.db2.gz CYCXKBZVOGKTFW-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1nc(NC(=O)c2ccc([O-])c(C#N)c2)nc(C)c1Br ZINC001193494089 1293325902 /nfs/dbraw/zinc/32/59/02/1293325902.db2.gz JEYCFBKDMQMLNB-UHFFFAOYSA-N -1 0 347.172 2.686 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nccnc2OCc2ccccc2)ccc1[O-] ZINC001193499515 1293326617 /nfs/dbraw/zinc/32/66/17/1293326617.db2.gz SCEMVXYPECNCLV-UHFFFAOYSA-N -1 0 346.346 2.885 20 30 EFEDRM CC(C)CNC(=O)c1cccc(NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193505799 1293335800 /nfs/dbraw/zinc/33/58/00/1293335800.db2.gz NZAFFOWXLRKSRD-UHFFFAOYSA-N -1 0 337.379 2.902 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(Br)ccc2O)ccc1[O-] ZINC001193504314 1293336445 /nfs/dbraw/zinc/33/64/45/1293336445.db2.gz AIZKYGWIHWKXRL-UHFFFAOYSA-N -1 0 333.141 2.984 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccccc2CN2CCCC2=O)ccc1[O-] ZINC001193505913 1293336609 /nfs/dbraw/zinc/33/66/09/1293336609.db2.gz PVAJKIJGRKJNCV-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(F)c3c2OCCC3=O)ccc1[O-] ZINC001193513184 1293342064 /nfs/dbraw/zinc/34/20/64/1293342064.db2.gz ZGSVLTYUDWHVGO-UHFFFAOYSA-N -1 0 326.283 2.620 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(-c3ncccn3)cc2)ccc1[O-] ZINC001193518783 1293342667 /nfs/dbraw/zinc/34/26/67/1293342667.db2.gz GGINOIVTYWZHLO-UHFFFAOYSA-N -1 0 330.347 2.651 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)c1 ZINC001193635948 1293377833 /nfs/dbraw/zinc/37/78/33/1293377833.db2.gz HREPEABVOGYGDX-UHFFFAOYSA-N -1 0 347.327 2.648 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC001193636488 1293377847 /nfs/dbraw/zinc/37/78/47/1293377847.db2.gz SLGYSXXOQZVVHY-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CN(C(=O)c1cccc(C#N)c1[O-])c1ncc(C(F)(F)F)cc1N ZINC001193634711 1293378250 /nfs/dbraw/zinc/37/82/50/1293378250.db2.gz HTEJASJYESDYFP-UHFFFAOYSA-N -1 0 336.273 2.536 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1 ZINC001193640572 1293380283 /nfs/dbraw/zinc/38/02/83/1293380283.db2.gz KTAGHSZNIQWHQH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2nc(F)c(F)c(Cl)c2F)c1[O-] ZINC001193642935 1293380519 /nfs/dbraw/zinc/38/05/19/1293380519.db2.gz TWSJNPZMGXMSKV-UHFFFAOYSA-N -1 0 327.649 2.982 20 30 EFEDRM CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193642746 1293380801 /nfs/dbraw/zinc/38/08/01/1293380801.db2.gz OQLBHSTZWHQNMU-UHFFFAOYSA-N -1 0 341.323 2.558 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3ccccc3cn2)c1 ZINC001193644699 1293383627 /nfs/dbraw/zinc/38/36/27/1293383627.db2.gz OYOIOYUELPQFEG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)cc(Cl)n2)c1 ZINC001193644613 1293385856 /nfs/dbraw/zinc/38/58/56/1293385856.db2.gz LISYBRVTXMXALR-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(C2(C#N)CCCC2)cc1 ZINC001193597748 1293387300 /nfs/dbraw/zinc/38/73/00/1293387300.db2.gz HXJWNANVNMROFQ-UHFFFAOYSA-N -1 0 330.413 2.556 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)cnn2C2CCC2)c1 ZINC001193654298 1293396966 /nfs/dbraw/zinc/39/69/66/1293396966.db2.gz XCRGKPNAVLYEIC-UHFFFAOYSA-N -1 0 346.412 2.598 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc3ccccc3n2C)c1 ZINC001193654211 1293397709 /nfs/dbraw/zinc/39/77/09/1293397709.db2.gz UKJPJYGUGIIAFA-UHFFFAOYSA-N -1 0 341.392 2.859 20 30 EFEDRM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(C#N)c1[O-] ZINC001193658099 1293398898 /nfs/dbraw/zinc/39/88/98/1293398898.db2.gz SOLOZFJZISHGBD-HNNXBMFYSA-N -1 0 330.384 2.506 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)c1 ZINC001193681141 1293407644 /nfs/dbraw/zinc/40/76/44/1293407644.db2.gz RFWVABDJTMEAND-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC001193681143 1293408347 /nfs/dbraw/zinc/40/83/47/1293408347.db2.gz RMTIRLJCPUHIDQ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-][C@@H](c1cccc(F)c1)C(F)(F)F ZINC001253210699 1293442853 /nfs/dbraw/zinc/44/28/53/1293442853.db2.gz WGWSDUQMBZYYKQ-QMMMGPOBSA-N -1 0 339.232 2.911 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccccc2N)cccc1C(F)(F)F ZINC001193930126 1293480151 /nfs/dbraw/zinc/48/01/51/1293480151.db2.gz VODZVVZHFPTVNI-UHFFFAOYSA-N -1 0 341.314 2.960 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)cc1Br ZINC000131229773 1293506432 /nfs/dbraw/zinc/50/64/32/1293506432.db2.gz PBWLFKJGSNSOMH-LBPRGKRZSA-N -1 0 337.217 2.913 20 30 EFEDRM CCC(C#N)(CC)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001194041134 1293509980 /nfs/dbraw/zinc/50/99/80/1293509980.db2.gz UVZGNBYOFUQVRR-UHFFFAOYSA-N -1 0 348.783 2.538 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131337202 1293521555 /nfs/dbraw/zinc/52/15/55/1293521555.db2.gz MNSGJRJDCFUTDN-LBPRGKRZSA-N -1 0 340.408 2.586 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)c(C#N)c1 ZINC001194092646 1293529678 /nfs/dbraw/zinc/52/96/78/1293529678.db2.gz ONWFZSUANXSYAW-UHFFFAOYSA-N -1 0 327.365 2.950 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194093418 1293530058 /nfs/dbraw/zinc/53/00/58/1293530058.db2.gz WNVWQLKDFQVTNK-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001194276902 1293563711 /nfs/dbraw/zinc/56/37/11/1293563711.db2.gz GQLQNTQRZADJMW-UHFFFAOYSA-N -1 0 339.395 2.889 20 30 EFEDRM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000903651869 1313011664 /nfs/dbraw/zinc/01/16/64/1313011664.db2.gz CKXNPYLOKMFROJ-UHFFFAOYSA-N -1 0 348.453 2.520 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cn1 ZINC001194458417 1293630172 /nfs/dbraw/zinc/63/01/72/1293630172.db2.gz HAXNIEPHFJFCOY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)o1 ZINC001194459148 1293630392 /nfs/dbraw/zinc/63/03/92/1293630392.db2.gz WQZHEHOGSWSSDT-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132663202 1293692941 /nfs/dbraw/zinc/69/29/41/1293692941.db2.gz MQIOWKHQDSIOLG-KRWDZBQOSA-N -1 0 349.390 2.531 20 30 EFEDRM O=c1nc2cn[n-]c2c(O[C@H](C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC001233943510 1313022631 /nfs/dbraw/zinc/02/26/31/1313022631.db2.gz JSTUCVDEZMMMGK-QGZVFWFLSA-N -1 0 342.358 2.818 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)C2CCC(=O)CC2)cc1Cl ZINC001194809619 1293720425 /nfs/dbraw/zinc/72/04/25/1293720425.db2.gz SMMPMURPUIZSGZ-UHFFFAOYSA-N -1 0 326.805 2.774 20 30 EFEDRM O=c1nc2cn[n-]c2c(O[C@@H](C#Cc2ccccc2)c2ccccc2)[nH]1 ZINC001233943509 1313022959 /nfs/dbraw/zinc/02/29/59/1313022959.db2.gz JSTUCVDEZMMMGK-KRWDZBQOSA-N -1 0 342.358 2.818 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccn2)c(C)c1C ZINC001194835619 1293726112 /nfs/dbraw/zinc/72/61/12/1293726112.db2.gz LFYOOUAFAYLHQZ-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C#N)c(C)c1C ZINC001194836472 1293727226 /nfs/dbraw/zinc/72/72/26/1293727226.db2.gz BCDCYTQTVJTHIS-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c(C)c1C ZINC001194864300 1293732211 /nfs/dbraw/zinc/73/22/11/1293732211.db2.gz LBFUFUXCNPADSS-UHFFFAOYSA-N -1 0 346.408 2.999 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3nccnc32)cc1F ZINC001194988336 1293770370 /nfs/dbraw/zinc/77/03/70/1293770370.db2.gz PNIJDHBMGVBCJO-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM COc1nc(C(=O)Nc2ccc(O)c(C#N)c2)ccc1Br ZINC001195048506 1293782792 /nfs/dbraw/zinc/78/27/92/1293782792.db2.gz QDYQQTMBQYLGOV-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)CC[Si](C)(C)C)cc1OC ZINC001195068642 1293791433 /nfs/dbraw/zinc/79/14/33/1293791433.db2.gz UDKUVJYJGFEVTM-UHFFFAOYSA-N -1 0 342.493 2.655 20 30 EFEDRM CCOC(=O)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001195096827 1293800546 /nfs/dbraw/zinc/80/05/46/1293800546.db2.gz CLRNDEZXMJBSHA-UHFFFAOYSA-N -1 0 328.299 2.832 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1-c1ccccc1 ZINC001233980000 1313030278 /nfs/dbraw/zinc/03/02/78/1313030278.db2.gz FNGORGOFCWQUPW-HNNXBMFYSA-N -1 0 349.408 2.586 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2cc([O-])cnc2Cl)cc1C#N ZINC001195309727 1293887790 /nfs/dbraw/zinc/88/77/90/1293887790.db2.gz UQQVZGZSNFBOIY-UHFFFAOYSA-N -1 0 330.731 2.523 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc(F)n2)ccc1C(F)(F)F ZINC000800043506 1293893945 /nfs/dbraw/zinc/89/39/45/1293893945.db2.gz INAUCJHQZMMCNB-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCCC3)cn1 ZINC001195675341 1293986314 /nfs/dbraw/zinc/98/63/14/1293986314.db2.gz RULQCJPZYHPZKV-UHFFFAOYSA-N -1 0 349.437 2.703 20 30 EFEDRM Cc1ncc(NC(=O)c2ccc(C#N)cc2[O-])cc1Br ZINC001195733901 1294005005 /nfs/dbraw/zinc/00/50/05/1294005005.db2.gz YIBPBAOWKSZWIU-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(C#N)cc1[O-] ZINC001195764328 1294017865 /nfs/dbraw/zinc/01/78/65/1294017865.db2.gz JXXGTAVQITUXME-HNNXBMFYSA-N -1 0 330.384 2.506 20 30 EFEDRM COc1ncc(NC(=O)c2ccc(C#N)cc2[O-])cc1C(F)(F)F ZINC001195741061 1294025342 /nfs/dbraw/zinc/02/53/42/1294025342.db2.gz NUYCNHHEUVHAEP-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cnc(-c3ccc(O)cc3)nc2)c([O-])c1 ZINC001195741158 1294025802 /nfs/dbraw/zinc/02/58/02/1294025802.db2.gz PRFRPKLJXAIODW-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(COc3cccnc3)CC2)c([O-])c1 ZINC001195741070 1294025967 /nfs/dbraw/zinc/02/59/67/1294025967.db2.gz NVBXREKXYBZMJQ-UHFFFAOYSA-N -1 0 337.379 2.590 20 30 EFEDRM N#Cc1sccc1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196133510 1294138327 /nfs/dbraw/zinc/13/83/27/1294138327.db2.gz YCHDJGKZDQSIIG-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C#CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775678642 1294104836 /nfs/dbraw/zinc/10/48/36/1294104836.db2.gz HKNKRNFUBOBOQC-UHFFFAOYSA-N -1 0 328.755 2.661 20 30 EFEDRM C[C@H](C#N)N(C)S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196088838 1294129390 /nfs/dbraw/zinc/12/93/90/1294129390.db2.gz TVSQTMASUXYXTA-GFCCVEGCSA-N -1 0 344.392 2.584 20 30 EFEDRM C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196088839 1294129742 /nfs/dbraw/zinc/12/97/42/1294129742.db2.gz TVSQTMASUXYXTA-LBPRGKRZSA-N -1 0 344.392 2.584 20 30 EFEDRM [O-]c1c(Br)cc(Cl)cc1C=NNC1CCOCC1 ZINC000884435105 1294138990 /nfs/dbraw/zinc/13/89/90/1294138990.db2.gz KYPYDKNGADPIAF-UHFFFAOYSA-N -1 0 333.613 2.911 20 30 EFEDRM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196111989 1294143791 /nfs/dbraw/zinc/14/37/91/1294143791.db2.gz XGVGKVKTQQTNQU-HNNXBMFYSA-N -1 0 344.392 2.632 20 30 EFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196383854 1294218838 /nfs/dbraw/zinc/21/88/38/1294218838.db2.gz LPGXHLDROAMUEN-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1ccc(NC=Cc2ccc(C#N)cc2)c(S(=O)(=O)[O-])c1 ZINC001203306324 1294279187 /nfs/dbraw/zinc/27/91/87/1294279187.db2.gz CUEFJTATILDALD-CMDGGOBGSA-N -1 0 330.365 2.896 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1O ZINC001196679663 1294314157 /nfs/dbraw/zinc/31/41/57/1294314157.db2.gz FVGTWXAQSMOBNV-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639379 1294314471 /nfs/dbraw/zinc/31/44/71/1294314471.db2.gz BPBDFRXSFVDMJG-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680130 1294314635 /nfs/dbraw/zinc/31/46/35/1294314635.db2.gz ZCRUWKRQSIVQLK-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCC2 ZINC001196680479 1294315746 /nfs/dbraw/zinc/31/57/46/1294315746.db2.gz MXBOTGQOVYMTTC-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1C#N ZINC001196680391 1294316378 /nfs/dbraw/zinc/31/63/78/1294316378.db2.gz LUBPJLJUNCAFBP-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cnc1F ZINC001196648068 1294317671 /nfs/dbraw/zinc/31/76/71/1294317671.db2.gz PZOHJHZFORNAAA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196647508 1294318132 /nfs/dbraw/zinc/31/81/32/1294318132.db2.gz FHHGILYIWMYSAS-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(Cl)n1 ZINC001196648069 1294318741 /nfs/dbraw/zinc/31/87/41/1294318741.db2.gz QBEOEQHCOLRYAU-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cnc1C#N ZINC001196650569 1294319439 /nfs/dbraw/zinc/31/94/39/1294319439.db2.gz QGUMUBAMWRSMHO-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C#N)c1 ZINC001196649895 1294319639 /nfs/dbraw/zinc/31/96/39/1294319639.db2.gz CBLLXDXEMUFDEI-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650734 1294319819 /nfs/dbraw/zinc/31/98/19/1294319819.db2.gz YDAICQCBHUXVHO-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM COC(=O)c1ccc(NC(=S)Nc2cc(C#N)ccc2[O-])cc1 ZINC001196760412 1294347987 /nfs/dbraw/zinc/34/79/87/1294347987.db2.gz MZVYLSZLLVAKCS-UHFFFAOYSA-N -1 0 327.365 2.859 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2F)c(C#N)c1 ZINC001196760871 1294348404 /nfs/dbraw/zinc/34/84/04/1294348404.db2.gz HDBJLYFFUHNLIH-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C=C1CC=C(F)C=C1NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196740948 1294356007 /nfs/dbraw/zinc/35/60/07/1294356007.db2.gz NIHXDYNLZPQKNF-UHFFFAOYSA-N -1 0 328.390 2.547 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nccc(C(C)(C)C)n2)ccc1C#N ZINC000903691385 1313075357 /nfs/dbraw/zinc/07/53/57/1313075357.db2.gz SIHCOPVWJJCXGT-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC001197030008 1294444728 /nfs/dbraw/zinc/44/47/28/1294444728.db2.gz VOIQMVQJCAJAEB-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C#N ZINC001197031563 1294445649 /nfs/dbraw/zinc/44/56/49/1294445649.db2.gz RUUQPHLIUHIHJP-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1c(C)cccc1C#N ZINC001197035912 1294446212 /nfs/dbraw/zinc/44/62/12/1294446212.db2.gz DXWVYETYPXWELM-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C#C[C@@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)[C@H](CC)CCCC ZINC001234188979 1313077938 /nfs/dbraw/zinc/07/79/38/1313077938.db2.gz HNXBPFBFDAOVOY-VXGBXAGGSA-N -1 0 336.388 2.580 20 30 EFEDRM COc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C#N ZINC001649171101 1294505563 /nfs/dbraw/zinc/50/55/63/1294505563.db2.gz UWYVQUKDYGTKRX-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)Cc2cccnc2)c1 ZINC001197464104 1294556732 /nfs/dbraw/zinc/55/67/32/1294556732.db2.gz IZGCLAIDFDIGTE-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197465162 1294557067 /nfs/dbraw/zinc/55/70/67/1294557067.db2.gz QURSGXGXKSHKIU-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197503118 1294592171 /nfs/dbraw/zinc/59/21/71/1294592171.db2.gz SVNOWRRNGCEDOO-UHFFFAOYSA-N -1 0 342.207 2.707 20 30 EFEDRM O=S(=O)(Cc1c(F)cccc1F)[N-]CC(F)(F)C(F)(F)F ZINC001197613307 1294617690 /nfs/dbraw/zinc/61/76/90/1294617690.db2.gz OWTCBQUJTISSPE-UHFFFAOYSA-N -1 0 339.232 2.582 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC001197602636 1294635028 /nfs/dbraw/zinc/63/50/28/1294635028.db2.gz DUXOTYTVAXXEFU-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000136498165 1294645043 /nfs/dbraw/zinc/64/50/43/1294645043.db2.gz QHLRBJABSZVKQQ-HWKANZROSA-N -1 0 338.323 2.787 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197717319 1294662385 /nfs/dbraw/zinc/66/23/85/1294662385.db2.gz AITJIOABPJYOSP-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#Cc1cccc(NC(=S)Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001197708774 1294685797 /nfs/dbraw/zinc/68/57/97/1294685797.db2.gz HGBGTSVRXBBRFR-UHFFFAOYSA-N -1 0 333.394 2.614 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cn1 ZINC001197715475 1294687234 /nfs/dbraw/zinc/68/72/34/1294687234.db2.gz BWVZSZQJSXVEAS-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM C=C(Br)CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000137163901 1294709381 /nfs/dbraw/zinc/70/93/81/1294709381.db2.gz SISRVBBZOYXYKA-SECBINFHSA-N -1 0 344.230 2.890 20 30 EFEDRM C=C(C)[C@@H]1CC=C(C)[C@@H](OC2=C([O-])C(C(=O)OC)N=C2C(=O)OC)C1 ZINC001234349329 1313109993 /nfs/dbraw/zinc/10/99/93/1313109993.db2.gz CJNUTKLPSIVBRK-NEPJUHHUSA-N -1 0 349.383 2.973 20 30 EFEDRM C=C(C)[C@H]1CC=C(C)[C@@H](OC2=C([O-])C(C(=O)OC)N=C2C(=O)OC)C1 ZINC001234349331 1313110425 /nfs/dbraw/zinc/11/04/25/1313110425.db2.gz CJNUTKLPSIVBRK-RYUDHWBXSA-N -1 0 349.383 2.973 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3nccnc3c2)s1 ZINC001198111270 1294899690 /nfs/dbraw/zinc/89/96/90/1294899690.db2.gz DUHDXYACLUUGQF-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198152569 1294913391 /nfs/dbraw/zinc/91/33/91/1294913391.db2.gz JGRUSYYOLPOHMV-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3nccnc3c2)c1C#N ZINC001198155722 1294915621 /nfs/dbraw/zinc/91/56/21/1294915621.db2.gz SIRCNUXTIGYODU-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c1F ZINC001198234478 1294947127 /nfs/dbraw/zinc/94/71/27/1294947127.db2.gz KTRSRGPIPAWPJJ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198238239 1294950989 /nfs/dbraw/zinc/95/09/89/1294950989.db2.gz RUGHVYGPRPEYMK-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198237654 1294951181 /nfs/dbraw/zinc/95/11/81/1294951181.db2.gz IHEIYDKHQGBKOR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C#C[Si](C)(C)C)cc2)n1C ZINC001198398784 1295052701 /nfs/dbraw/zinc/05/27/01/1295052701.db2.gz NEAYUVYAZKMGMJ-UHFFFAOYSA-N -1 0 347.516 2.758 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1cccc(C#N)c1 ZINC001198810025 1295272489 /nfs/dbraw/zinc/27/24/89/1295272489.db2.gz LBXHMMPUFATASR-OAHLLOKOSA-N -1 0 344.392 2.686 20 30 EFEDRM CCOC(=O)[C@@H](CC(C)C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234530151 1313148043 /nfs/dbraw/zinc/14/80/43/1313148043.db2.gz ITIBKTWXDKSKCA-CQSZACIVSA-N -1 0 329.356 2.564 20 30 EFEDRM C=CCN1CC[C@]2(CCCN2Cc2cc(F)c([O-])c(Cl)c2)C1=O ZINC001274083632 1295447280 /nfs/dbraw/zinc/44/72/80/1295447280.db2.gz ACRPAUJBBHITNX-QGZVFWFLSA-N -1 0 338.810 2.938 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccnc2OC(F)(F)F)c([O-])cc1F ZINC001199375841 1295505342 /nfs/dbraw/zinc/50/53/42/1295505342.db2.gz SQSSZHXMFJJYGU-UHFFFAOYSA-N -1 0 341.220 2.949 20 30 EFEDRM C[Si](C)(C)c1ccnc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1F ZINC001199739445 1295717124 /nfs/dbraw/zinc/71/71/24/1295717124.db2.gz YTWVJIVFKMMXAU-UHFFFAOYSA-N -1 0 347.397 2.735 20 30 EFEDRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cccc(CC#N)c1 ZINC001412977134 1296432749 /nfs/dbraw/zinc/43/27/49/1296432749.db2.gz QBOBMVSYJCORHI-UHFFFAOYSA-N -1 0 347.371 2.516 20 30 EFEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776136228 1296582728 /nfs/dbraw/zinc/58/27/28/1296582728.db2.gz LWSKWMUDNLUBDK-AWEZNQCLSA-N -1 0 328.478 2.979 20 30 EFEDRM CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776140921 1296608593 /nfs/dbraw/zinc/60/85/93/1296608593.db2.gz QQNAYJHPYULJQO-ZDUSSCGKSA-N -1 0 340.470 2.553 20 30 EFEDRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000776140687 1296631898 /nfs/dbraw/zinc/63/18/98/1296631898.db2.gz HBJAFCICAYVULX-OAHLLOKOSA-N -1 0 336.457 2.812 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1Cl ZINC000776143536 1296651118 /nfs/dbraw/zinc/65/11/18/1296651118.db2.gz QULMKHKCQWCTGV-DHZHZOJOSA-N -1 0 340.832 2.739 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201251415 1296658660 /nfs/dbraw/zinc/65/86/60/1296658660.db2.gz IKIJPFMQTDIJNL-UHFFFAOYSA-N -1 0 336.131 2.793 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2OC(F)F)cc1C#N ZINC001201295145 1296708430 /nfs/dbraw/zinc/70/84/30/1296708430.db2.gz MCMRGJKQOJLRIE-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)cc1C#N ZINC001201295280 1296709207 /nfs/dbraw/zinc/70/92/07/1296709207.db2.gz OIWVUUJKYIPRMF-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)cc1C#N ZINC001201296516 1296711161 /nfs/dbraw/zinc/71/11/61/1296711161.db2.gz LTARIWKYJSSGCI-UHFFFAOYSA-N -1 0 346.799 2.896 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316907 1296723254 /nfs/dbraw/zinc/72/32/54/1296723254.db2.gz HKXVKMAUAJKRAZ-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201316918 1296723682 /nfs/dbraw/zinc/72/36/82/1296723682.db2.gz HVBXGRYDDJENMQ-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COC(=O)c1ccccc1NN=C(C)c1cc(C(=O)[O-])ccc1O ZINC000776187046 1296816811 /nfs/dbraw/zinc/81/68/11/1296816811.db2.gz FEULVDKGSCVPMO-UHFFFAOYSA-N -1 0 328.324 2.713 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1ccsc1C(=O)[O-] ZINC001205547951 1313309808 /nfs/dbraw/zinc/30/98/08/1313309808.db2.gz WDGVMMSFQAQOBV-UHFFFAOYSA-N -1 0 338.348 2.909 20 30 EFEDRM Cc1ccccc1[C@@H](CC(=O)[O-])c1nc(-c2ccc(C#N)cn2)no1 ZINC001205581028 1313317148 /nfs/dbraw/zinc/31/71/48/1313317148.db2.gz KFZXWIJSLBCUKT-CQSZACIVSA-N -1 0 334.335 2.918 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(Oc2ccncc2)cc1 ZINC001201598504 1296924841 /nfs/dbraw/zinc/92/48/41/1296924841.db2.gz GUGKIELCNOCGAP-UHFFFAOYSA-N -1 0 342.336 2.534 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C#N)ccc2OC)c1 ZINC001201585870 1296945376 /nfs/dbraw/zinc/94/53/76/1296945376.db2.gz SWIZCMAUADVTON-UHFFFAOYSA-N -1 0 332.381 2.810 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC001201760226 1297059231 /nfs/dbraw/zinc/05/92/31/1297059231.db2.gz GOSVKXKIXHZYBQ-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)C ZINC001201733638 1297074230 /nfs/dbraw/zinc/07/42/30/1297074230.db2.gz WNDSHJYTAVIVBM-UHFFFAOYSA-N -1 0 345.837 2.555 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nnccc2C#N)c(C)c1C ZINC001201792354 1297078990 /nfs/dbraw/zinc/07/89/90/1297078990.db2.gz DBMQWUJCQRTDED-UHFFFAOYSA-N -1 0 330.413 2.691 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000929044820 1297153870 /nfs/dbraw/zinc/15/38/70/1297153870.db2.gz NNZUXZVTQBPUKK-ZDUSSCGKSA-N -1 0 336.363 2.710 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](COC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000929044479 1297154847 /nfs/dbraw/zinc/15/48/47/1297154847.db2.gz HPZGISMXFALIPU-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM Cc1ccc(C#N)c(N[C@H](CNC(=O)c2ccccc2O)C2CC2)n1 ZINC001096581739 1313407314 /nfs/dbraw/zinc/40/73/14/1313407314.db2.gz OKOLLDPISJMXHS-MRXNPFEDSA-N -1 0 336.395 2.588 20 30 EFEDRM CC(C)Cn1ncnc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000778595515 1297693752 /nfs/dbraw/zinc/69/37/52/1297693752.db2.gz FNGHXQMOOYGRIX-UHFFFAOYSA-N -1 0 330.436 2.638 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000042303850 1297698337 /nfs/dbraw/zinc/69/83/37/1297698337.db2.gz LZUMQOAHSXFFII-UHFFFAOYSA-N -1 0 337.360 2.800 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2F)cc1 ZINC000042302868 1297698648 /nfs/dbraw/zinc/69/86/48/1297698648.db2.gz MASUPQTUOZQTHX-UHFFFAOYSA-N -1 0 332.356 2.975 20 30 EFEDRM Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000048475905 1297758279 /nfs/dbraw/zinc/75/82/79/1297758279.db2.gz RYXIJSAWVFFXCB-UHFFFAOYSA-N -1 0 341.820 2.692 20 30 EFEDRM C[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000160023687 1297776356 /nfs/dbraw/zinc/77/63/56/1297776356.db2.gz GFMBQTSODUVVJA-AWEZNQCLSA-N -1 0 342.420 2.947 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)cc1Cl ZINC000107022854 1297783140 /nfs/dbraw/zinc/78/31/40/1297783140.db2.gz RDRIJLLAPMMWOX-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)cc2c1 ZINC000779313411 1298199387 /nfs/dbraw/zinc/19/93/87/1298199387.db2.gz PRCQVWORNPEWKM-UHFFFAOYSA-N -1 0 346.408 2.885 20 30 EFEDRM N#Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccn1 ZINC001206626688 1313486291 /nfs/dbraw/zinc/48/62/91/1313486291.db2.gz AJDHVDPSHHMJNZ-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(F)cc2)n1 ZINC000193382019 1298433158 /nfs/dbraw/zinc/43/31/58/1298433158.db2.gz GDHBALAZSPAYNN-OAHLLOKOSA-N -1 0 342.374 2.640 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000108250651 1298493404 /nfs/dbraw/zinc/49/34/04/1298493404.db2.gz RRSYEMABPFWYJG-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1occc1Br ZINC000083763291 1298699234 /nfs/dbraw/zinc/69/92/34/1298699234.db2.gz ADISNUTVTDIMFG-UHFFFAOYSA-N -1 0 348.149 2.875 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000779846389 1298953973 /nfs/dbraw/zinc/95/39/73/1298953973.db2.gz ZOKWNNLYXMMGJZ-GFCCVEGCSA-N -1 0 332.381 2.787 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000779845680 1298958074 /nfs/dbraw/zinc/95/80/74/1298958074.db2.gz SJLXUQBBOVBGPX-NSHDSACASA-N -1 0 345.355 2.789 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000779845679 1298958685 /nfs/dbraw/zinc/95/86/85/1298958685.db2.gz SJLXUQBBOVBGPX-LLVKDONJSA-N -1 0 345.355 2.789 20 30 EFEDRM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCC2)C1 ZINC000086055488 1299256881 /nfs/dbraw/zinc/25/68/81/1299256881.db2.gz DDLVPWRRRNNIIQ-OLZOCXBDSA-N -1 0 344.477 2.500 20 30 EFEDRM CSc1nc(C(=O)[N-]S(=O)(=O)C2CCCC2)c2ccccn21 ZINC000086055205 1299257158 /nfs/dbraw/zinc/25/71/58/1299257158.db2.gz JSZQZTHGNFBMKX-UHFFFAOYSA-N -1 0 339.442 2.633 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1C1CCCCC1 ZINC000776533821 1299365474 /nfs/dbraw/zinc/36/54/74/1299365474.db2.gz MDJUONIZSJJYKQ-AWEZNQCLSA-N -1 0 339.399 2.636 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC000776596421 1299713875 /nfs/dbraw/zinc/71/38/75/1299713875.db2.gz FOXDVKDTDSGBQY-CYBMUJFWSA-N -1 0 325.430 2.682 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000111585052 1300270746 /nfs/dbraw/zinc/27/07/46/1300270746.db2.gz VGSCZTAZYXHDKF-UHFFFAOYSA-N -1 0 344.374 2.623 20 30 EFEDRM COCCO[C@@H]1COCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000776721655 1300481047 /nfs/dbraw/zinc/48/10/47/1300481047.db2.gz IXNRAXMNSNXOJJ-RZOIHBCISA-N -1 0 348.226 2.938 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2ccc3ccccc32)c1 ZINC000089490415 1300819422 /nfs/dbraw/zinc/81/94/22/1300819422.db2.gz ULLFZJFDOPTEOI-UHFFFAOYSA-N -1 0 346.412 2.764 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2)c1 ZINC000089490355 1300820338 /nfs/dbraw/zinc/82/03/38/1300820338.db2.gz NUSRZBIZGZODFZ-UHFFFAOYSA-N -1 0 327.793 2.811 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cccc3c2ccn3C)c1 ZINC000089490591 1300820945 /nfs/dbraw/zinc/82/09/45/1300820945.db2.gz UGGLHLZICHSKCV-UHFFFAOYSA-N -1 0 346.412 2.649 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)c(F)c2)c1 ZINC000089490540 1300821797 /nfs/dbraw/zinc/82/17/97/1300821797.db2.gz XUTCFBYYBXVLAR-UHFFFAOYSA-N -1 0 343.355 2.630 20 30 EFEDRM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1F ZINC000795387782 1300930015 /nfs/dbraw/zinc/93/00/15/1300930015.db2.gz MCUAMKVYJJRLAT-SECBINFHSA-N -1 0 338.335 2.691 20 30 EFEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1C1CC1 ZINC000089964192 1300960393 /nfs/dbraw/zinc/96/03/93/1300960393.db2.gz JTCKBGZJAHXBCF-LLVKDONJSA-N -1 0 348.428 2.820 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1CCC1)N1CCc2ccccc2C1 ZINC000089986973 1300963247 /nfs/dbraw/zinc/96/32/47/1300963247.db2.gz NMCIWZRXYWIXRB-ZDUSSCGKSA-N -1 0 336.457 2.520 20 30 EFEDRM C#CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1 ZINC000855606677 1301031598 /nfs/dbraw/zinc/03/15/98/1301031598.db2.gz NMFINJOVZLVWOV-ZDUSSCGKSA-N -1 0 338.791 2.587 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000856030872 1301210242 /nfs/dbraw/zinc/21/02/42/1301210242.db2.gz UMPZAKXROVXRJA-NSHDSACASA-N -1 0 343.210 2.970 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000856031636 1301211316 /nfs/dbraw/zinc/21/13/16/1301211316.db2.gz YAGCOIHQCDAMTG-PBHICJAKSA-N -1 0 330.428 2.610 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000856034767 1301211744 /nfs/dbraw/zinc/21/17/44/1301211744.db2.gz UQKVSZYQRKAPRS-ABAIWWIYSA-N -1 0 340.782 2.622 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000856034169 1301211994 /nfs/dbraw/zinc/21/19/94/1301211994.db2.gz BBKMDVNWVGGZCL-GFCCVEGCSA-N -1 0 330.837 2.780 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117083065 1301658233 /nfs/dbraw/zinc/65/82/33/1301658233.db2.gz UEXFRFSNEFTJBM-KRWDZBQOSA-N -1 0 336.395 2.644 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1 ZINC000860690861 1301886880 /nfs/dbraw/zinc/88/68/80/1301886880.db2.gz HDIDKPKATMMPHG-AWEZNQCLSA-N -1 0 344.802 2.504 20 30 EFEDRM C=CCC(C)(C)C(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000796463243 1301896013 /nfs/dbraw/zinc/89/60/13/1301896013.db2.gz STKAFIINVNBWBC-UHFFFAOYSA-N -1 0 332.352 2.599 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(C)C ZINC000861014333 1301990632 /nfs/dbraw/zinc/99/06/32/1301990632.db2.gz HRICZRDENKNFLF-AWEZNQCLSA-N -1 0 340.420 2.716 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000863428678 1302610037 /nfs/dbraw/zinc/61/00/37/1302610037.db2.gz CCKOWFMFKAJULS-UHFFFAOYSA-N -1 0 327.446 2.953 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000119585088 1302681212 /nfs/dbraw/zinc/68/12/12/1302681212.db2.gz VVUKDCSXCHTTLY-INIZCTEOSA-N -1 0 337.335 2.542 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000119590935 1302684860 /nfs/dbraw/zinc/68/48/60/1302684860.db2.gz LETFKGGFIHQXPD-OAHLLOKOSA-N -1 0 329.356 2.675 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794589002 1302771742 /nfs/dbraw/zinc/77/17/42/1302771742.db2.gz GRFZLJPCFSMPFJ-UHFFFAOYSA-N -1 0 345.355 2.595 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000119912495 1302810892 /nfs/dbraw/zinc/81/08/92/1302810892.db2.gz MGCMQTKHIIPXIA-LBPRGKRZSA-N -1 0 328.265 2.789 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OCCC)c(C)c1)C(=O)[O-] ZINC000864583778 1302988287 /nfs/dbraw/zinc/98/82/87/1302988287.db2.gz YSROVJRCVCVXST-CQSZACIVSA-N -1 0 336.388 2.561 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cn(C3CC3)cn2)c1)C(=O)[O-] ZINC000865218901 1303192905 /nfs/dbraw/zinc/19/29/05/1303192905.db2.gz TYZOGRJTEFPJQB-VVEJJEBESA-N -1 0 326.352 2.966 20 30 EFEDRM O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1cc(Cl)ccc1[O-] ZINC000865220590 1303193648 /nfs/dbraw/zinc/19/36/48/1303193648.db2.gz MXXWRLXMMJMFCV-RYWCDNDXSA-N -1 0 333.775 2.712 20 30 EFEDRM C=CCOC[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC000794847962 1303293845 /nfs/dbraw/zinc/29/38/45/1303293845.db2.gz KZEJZNXRERMSDX-SMWBLXLWSA-N -1 0 332.183 2.862 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000748410138 1313911244 /nfs/dbraw/zinc/91/12/44/1313911244.db2.gz CARDREXOKPYZAD-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM COc1ccc(Cl)cc1NCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410898 1313911980 /nfs/dbraw/zinc/91/19/80/1313911980.db2.gz SUCKAZPHJFDMNV-UHFFFAOYSA-N -1 0 331.759 2.976 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000794938489 1303706107 /nfs/dbraw/zinc/70/61/07/1303706107.db2.gz PUUQFYDQAKQQRY-CLTKARDFSA-N -1 0 337.331 2.541 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121612538 1303816891 /nfs/dbraw/zinc/81/68/91/1303816891.db2.gz UWUXOIUYRNIVQA-AWEZNQCLSA-N -1 0 325.368 2.970 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121658630 1303845660 /nfs/dbraw/zinc/84/56/60/1303845660.db2.gz HZCRVMFVNFYHKZ-MRXNPFEDSA-N -1 0 345.358 2.980 20 30 EFEDRM C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000868938653 1304542132 /nfs/dbraw/zinc/54/21/32/1304542132.db2.gz WEZPDALMXYPLDD-GSVOUGTGSA-N -1 0 341.158 2.853 20 30 EFEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000122382855 1304578115 /nfs/dbraw/zinc/57/81/15/1304578115.db2.gz OKLKUVNLYBCZHU-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM Cc1nnc(NN=C2CCOc3c(Cl)ccc(Cl)c32)[n-]c1=O ZINC000748579587 1313997671 /nfs/dbraw/zinc/99/76/71/1313997671.db2.gz MSAITVHENQOIEE-UHFFFAOYSA-N -1 0 340.170 2.791 20 30 EFEDRM C[C@@H](C#N)N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000869253509 1304682269 /nfs/dbraw/zinc/68/22/69/1304682269.db2.gz LZIQYMYDCVTFIV-ZETCQYMHSA-N -1 0 327.153 2.810 20 30 EFEDRM Cc1ccc(C)c(C(=O)CCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122589561 1304779070 /nfs/dbraw/zinc/77/90/70/1304779070.db2.gz XZBAGOGDTCNCCH-HNNXBMFYSA-N -1 0 337.379 2.592 20 30 EFEDRM COc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122687736 1304895659 /nfs/dbraw/zinc/89/56/59/1304895659.db2.gz DIGHFFWXGUXNPD-AWEZNQCLSA-N -1 0 343.408 2.503 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2ccccn2)c1 ZINC000870132209 1305159089 /nfs/dbraw/zinc/15/90/89/1305159089.db2.gz BZAMJGPQPJRAQY-INIZCTEOSA-N -1 0 335.363 2.819 20 30 EFEDRM CCc1ccc(F)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000870134204 1305160437 /nfs/dbraw/zinc/16/04/37/1305160437.db2.gz KRCJJSXEQMOJKB-MRXNPFEDSA-N -1 0 334.391 2.642 20 30 EFEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)s2)cs1 ZINC000870141908 1305164835 /nfs/dbraw/zinc/16/48/35/1305164835.db2.gz DOOVYKQKRSSXGR-SNVBAGLBSA-N -1 0 331.422 2.781 20 30 EFEDRM CCCc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)s1 ZINC000870179800 1305191304 /nfs/dbraw/zinc/19/13/04/1305191304.db2.gz JPPSMZXJKCOZPY-UHFFFAOYSA-N -1 0 348.449 2.832 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000122985692 1305191406 /nfs/dbraw/zinc/19/14/06/1305191406.db2.gz QXEJKIUQQAJSFV-GFCCVEGCSA-N -1 0 336.376 2.749 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/CCc2ccccc2)CCCC1 ZINC000870273600 1305235890 /nfs/dbraw/zinc/23/58/90/1305235890.db2.gz TZZNBPDCHRLDAO-VZUCSPMQSA-N -1 0 346.452 2.705 20 30 EFEDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000870272932 1305236054 /nfs/dbraw/zinc/23/60/54/1305236054.db2.gz IOQDKATWOUBKAV-UHFFFAOYSA-N -1 0 326.443 2.509 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3nccn3c2)s1 ZINC000870340167 1305270593 /nfs/dbraw/zinc/27/05/93/1305270593.db2.gz RTHJIEUKMGSDKV-NSHDSACASA-N -1 0 325.397 2.973 20 30 EFEDRM C[C@@H]1CCc2c(C([O-])=C(C#N)C(=O)c3nccn3C)csc2C1 ZINC000123272799 1305503724 /nfs/dbraw/zinc/50/37/24/1305503724.db2.gz AMCCIPJCVIZFKM-PWSUYJOCSA-N -1 0 327.409 2.812 20 30 EFEDRM Cc1cccc(CSCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000123285310 1305549646 /nfs/dbraw/zinc/54/96/46/1305549646.db2.gz YPNUPADKHQNQLN-CQSZACIVSA-N -1 0 327.409 2.554 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccc(C(=O)[O-])cc1OC ZINC001240733185 1314063915 /nfs/dbraw/zinc/06/39/15/1314063915.db2.gz KGIRQOMVFLUKGO-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM Cc1ccc(OCCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1C ZINC000123368175 1305654249 /nfs/dbraw/zinc/65/42/49/1305654249.db2.gz HLLCEBBLDCZJSH-MRXNPFEDSA-N -1 0 339.395 2.788 20 30 EFEDRM CSc1ccc(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123373876 1305656873 /nfs/dbraw/zinc/65/68/73/1305656873.db2.gz ONUDIRAKAGQGSX-BXUZGUMPSA-N -1 0 343.408 2.501 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000123378094 1305659671 /nfs/dbraw/zinc/65/96/71/1305659671.db2.gz QYMXMPRYSNWTSC-LLVKDONJSA-N -1 0 339.248 2.783 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccc(C(=O)[O-])s2)nc1 ZINC001240843492 1314076638 /nfs/dbraw/zinc/07/66/38/1314076638.db2.gz GEIWWPXZJXQMHD-SDXDJHTJSA-N -1 0 344.421 2.894 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C)c(Oc2ccncc2)c1 ZINC000115904342 1314107113 /nfs/dbraw/zinc/10/71/13/1314107113.db2.gz POEWVTVVLQPSCY-MRXNPFEDSA-N -1 0 335.363 2.807 20 30 EFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1 ZINC001241358616 1314113444 /nfs/dbraw/zinc/11/34/44/1314113444.db2.gz YEJNAGVAUJYLLM-JZJYNLBNSA-N -1 0 338.392 2.833 20 30 EFEDRM C=CCc1ccnc(-c2ccc(-c3nn[nH]n3)cc2)c1C(OC)OC ZINC001241442418 1314119117 /nfs/dbraw/zinc/11/91/17/1314119117.db2.gz KCHQUDONJOWETK-UHFFFAOYSA-N -1 0 337.383 2.949 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccn2)ccc1Br ZINC001259288342 1306622927 /nfs/dbraw/zinc/62/29/27/1306622927.db2.gz LPUGTKHLPUKPBH-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000748827596 1314143860 /nfs/dbraw/zinc/14/38/60/1314143860.db2.gz KTOOBAMPXHQPDB-UHFFFAOYSA-N -1 0 348.449 2.756 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cc(F)cc(C(=O)[O-])c2)c1C#N ZINC001241813646 1314152487 /nfs/dbraw/zinc/15/24/87/1314152487.db2.gz WCIXMXBBZLRPPT-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM C#Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)c1 ZINC001241916479 1314163024 /nfs/dbraw/zinc/16/30/24/1314163024.db2.gz FBUGZXCEMAYLQV-UHFFFAOYSA-N -1 0 335.388 2.926 20 30 EFEDRM C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2cnn(CC(=O)[O-])c2)n1 ZINC001242181571 1314189583 /nfs/dbraw/zinc/18/95/83/1314189583.db2.gz GBSIUPUMGRXCMG-UHFFFAOYSA-N -1 0 342.399 2.743 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]c1ccc(Br)c(F)c1C#N ZINC001259886861 1316292475 /nfs/dbraw/zinc/29/24/75/1316292475.db2.gz ZZTFNKWLVOLUDI-UHFFFAOYSA-N -1 0 335.198 2.858 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260690276 1316359548 /nfs/dbraw/zinc/35/95/48/1316359548.db2.gz BKPXRPUJYTXSSS-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1cccc(CC(=O)[O-])c1 ZINC001242264770 1314195502 /nfs/dbraw/zinc/19/55/02/1314195502.db2.gz CZTHZKYBEBYYHU-UHFFFAOYSA-N -1 0 334.393 2.765 20 30 EFEDRM CCc1ccc(O)c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000748921246 1314197533 /nfs/dbraw/zinc/19/75/33/1314197533.db2.gz RTNXIFZWWOAUCJ-ZDUSSCGKSA-N -1 0 344.392 2.753 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1cccc(C(=O)[O-])c1F ZINC001242381282 1314202379 /nfs/dbraw/zinc/20/23/79/1314202379.db2.gz PIZRYRXDGZKHDT-UHFFFAOYSA-N -1 0 338.356 2.976 20 30 EFEDRM CCOC(=O)c1cnc(-c2cc(C(=O)[O-])ccc2OC)c(C#N)c1 ZINC001242390507 1314203296 /nfs/dbraw/zinc/20/32/96/1314203296.db2.gz QPZQVAVQYJHVQK-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM CCOC(=O)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000800386835 1307780210 /nfs/dbraw/zinc/78/02/10/1307780210.db2.gz OAJPZHLXKQUAMM-HNNXBMFYSA-N -1 0 344.367 2.603 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1C)C(=O)[O-] ZINC000900327813 1307980358 /nfs/dbraw/zinc/98/03/58/1307980358.db2.gz ASWABAWILXXNRZ-LBPRGKRZSA-N -1 0 346.305 2.791 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1C)C(=O)[O-] ZINC000900334419 1307997466 /nfs/dbraw/zinc/99/74/66/1307997466.db2.gz ZJMCZSOORSMHND-NSHDSACASA-N -1 0 344.289 2.534 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3C#N)nc2)no1 ZINC001242715173 1314227588 /nfs/dbraw/zinc/22/75/88/1314227588.db2.gz IMQLJTBXLRIPIQ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#CCC(=O)Nc1nc2ccccc2nc1-c1ccccc1C(=O)[O-] ZINC001242879599 1314241413 /nfs/dbraw/zinc/24/14/13/1314241413.db2.gz WTWIWYYHMHYWLC-UHFFFAOYSA-N -1 0 332.319 2.847 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209886556 1314254119 /nfs/dbraw/zinc/25/41/19/1314254119.db2.gz UAWXQLBGQUNXDE-UHFFFAOYSA-N -1 0 336.120 2.801 20 30 EFEDRM COc1cccc(C2(C(=O)Nc3nc(C#N)c(C#N)[n-]3)CCCC2)c1 ZINC001413198013 1308573749 /nfs/dbraw/zinc/57/37/49/1308573749.db2.gz XPXATQDGSXXCHO-UHFFFAOYSA-N -1 0 335.367 2.612 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C)c(C(=O)[O-])c1 ZINC001243193839 1314268999 /nfs/dbraw/zinc/26/89/99/1314268999.db2.gz QQALDBBWRGRAHW-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM N#Cc1ncccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001210147580 1314287895 /nfs/dbraw/zinc/28/78/95/1314287895.db2.gz RCNZCZKXPNCXMY-UHFFFAOYSA-N -1 0 341.348 2.802 20 30 EFEDRM N#CC1(c2ccc(-c3cccc4c3NC(=O)[N-]S4(=O)=O)cc2)CC1 ZINC001243422100 1314284880 /nfs/dbraw/zinc/28/48/80/1314284880.db2.gz FXEHKCCRHZHMHI-UHFFFAOYSA-N -1 0 339.376 2.733 20 30 EFEDRM COCCN(CCC(=O)[O-])c1c(C#N)cnc2ccc(Cl)cc21 ZINC000900979681 1309103833 /nfs/dbraw/zinc/10/38/33/1309103833.db2.gz NJMZMVGAWPGNKJ-UHFFFAOYSA-N -1 0 333.775 2.687 20 30 EFEDRM COCCN(CCC(=O)[O-])c1c(C#N)cnc2c(C)cc(C)cc21 ZINC000900979817 1309105850 /nfs/dbraw/zinc/10/58/50/1309105850.db2.gz PVRSUFGAIZFVTL-UHFFFAOYSA-N -1 0 327.384 2.651 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnn(CC2CCC2)c1 ZINC000901163348 1309652362 /nfs/dbraw/zinc/65/23/62/1309652362.db2.gz GWTDTQAJOZCLIJ-UHFFFAOYSA-N -1 0 339.424 2.564 20 30 EFEDRM O=C([O-])c1cc(C=NNC(=S)NCC2CCC2)sc1Cl ZINC000901183059 1309730892 /nfs/dbraw/zinc/73/08/92/1309730892.db2.gz CKVDYSRTWHOFDK-UHFFFAOYSA-N -1 0 331.850 2.698 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnn(CC2CCC2)c1 ZINC000901205925 1309832664 /nfs/dbraw/zinc/83/26/64/1309832664.db2.gz RZNUFLGIWSZCGU-UHFFFAOYSA-N -1 0 328.372 2.836 20 30 EFEDRM COc1nc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c(F)cc1C#N ZINC001244028970 1314345007 /nfs/dbraw/zinc/34/50/07/1314345007.db2.gz IXEOUHYUZCXIQL-UHFFFAOYSA-N -1 0 343.314 2.571 20 30 EFEDRM N#Cc1cc2cccnc2nc1-c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001244031682 1314345550 /nfs/dbraw/zinc/34/55/50/1314345550.db2.gz RORBAHPTGGIQTN-UHFFFAOYSA-N -1 0 346.346 2.972 20 30 EFEDRM N#Cc1c[nH]c2ncc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cc12 ZINC001244040702 1314346669 /nfs/dbraw/zinc/34/66/69/1314346669.db2.gz VAACCJRHIJTTJT-UHFFFAOYSA-N -1 0 334.335 2.905 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NOC[C@H]2CCOC2)c1 ZINC000901226594 1309912857 /nfs/dbraw/zinc/91/28/57/1309912857.db2.gz CSVFHOLJOUBWLG-VIFPVBQESA-N -1 0 328.162 2.534 20 30 EFEDRM CCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c(Cl)s1 ZINC000901240054 1309948172 /nfs/dbraw/zinc/94/81/72/1309948172.db2.gz ZTLXXWZQEZGRLJ-UHFFFAOYSA-N -1 0 330.822 2.815 20 30 EFEDRM O=C([O-])c1ccc(-c2ccc(C=NN3CCC[C@@H]3CO)s2)cc1 ZINC000901252983 1309979224 /nfs/dbraw/zinc/97/92/24/1309979224.db2.gz UADMCUYKIQOCQH-CQSZACIVSA-N -1 0 330.409 2.904 20 30 EFEDRM C=C(Br)COC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000801379488 1310047715 /nfs/dbraw/zinc/04/77/15/1310047715.db2.gz FCTBSLSMHSTTNU-UHFFFAOYSA-N -1 0 341.136 2.782 20 30 EFEDRM C[C@@H]1CC(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000901311866 1310113545 /nfs/dbraw/zinc/11/35/45/1310113545.db2.gz XHUYGJFJTIOJOU-GHMZBOCLSA-N -1 0 342.342 2.622 20 30 EFEDRM COc1ccc(COc2cc(C#N)cc([N-]c3nonc3N)c2)cc1 ZINC001210809475 1314392274 /nfs/dbraw/zinc/39/22/74/1314392274.db2.gz VUDHFSSMNCLYFD-UHFFFAOYSA-N -1 0 337.339 2.855 20 30 EFEDRM CN(C)Cc1cnc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)s1 ZINC000901515646 1310595012 /nfs/dbraw/zinc/59/50/12/1310595012.db2.gz OOVPTFUHSVYPEF-UITAMQMPSA-N -1 0 332.381 2.708 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)nn1 ZINC000901523847 1310605926 /nfs/dbraw/zinc/60/59/26/1310605926.db2.gz IHDRHTPUAVBSHK-KRZKBDHCSA-N -1 0 329.356 2.607 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)nn1 ZINC000901525721 1310608885 /nfs/dbraw/zinc/60/88/85/1310608885.db2.gz QYCUXPCOOUMXCR-VOTSOKGWSA-N -1 0 329.356 2.609 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)cc1 ZINC000901562151 1310670234 /nfs/dbraw/zinc/67/02/34/1310670234.db2.gz WBLVKGITHIGIRF-YVMONPNESA-N -1 0 326.352 2.579 20 30 EFEDRM N#CC(C#N)c1nc2ccccc2nc1-c1cc(C(=O)[O-])cnc1F ZINC001244758900 1314409346 /nfs/dbraw/zinc/40/93/46/1314409346.db2.gz XWSKVDBFLKTQBS-UHFFFAOYSA-N -1 0 333.282 2.660 20 30 EFEDRM COCCn1c(=O)cc([O-])nc1SCCCCC1(C#N)CCC1 ZINC000901652441 1310825284 /nfs/dbraw/zinc/82/52/84/1310825284.db2.gz HSBWMKQKNPVWSB-UHFFFAOYSA-N -1 0 337.445 2.552 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1 ZINC000901766202 1311019056 /nfs/dbraw/zinc/01/90/56/1311019056.db2.gz OPJBUGAMGKPRQO-UHFFFAOYSA-N -1 0 330.413 2.865 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C2CCCC2)n1 ZINC000901815956 1311062560 /nfs/dbraw/zinc/06/25/60/1311062560.db2.gz JEXBSKJUDWORFK-UHFFFAOYSA-N -1 0 330.413 2.750 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000901839626 1311095595 /nfs/dbraw/zinc/09/55/95/1311095595.db2.gz TWWAWWBNEOYFGE-UHFFFAOYSA-N -1 0 329.425 2.860 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC000901883440 1311152100 /nfs/dbraw/zinc/15/21/00/1311152100.db2.gz QFTOUTRNXOTCHK-UHFFFAOYSA-N -1 0 347.440 2.975 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Br)n1 ZINC000802031532 1311241980 /nfs/dbraw/zinc/24/19/80/1311241980.db2.gz GYCZAAHAFHFAAW-MRVPVSSYSA-N -1 0 339.218 2.746 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1 ZINC000901979285 1311273488 /nfs/dbraw/zinc/27/34/88/1311273488.db2.gz BYIPUKYSCVGRIM-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM COC(=O)[C@H]1CCC[C@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891367 1311316528 /nfs/dbraw/zinc/31/65/28/1311316528.db2.gz IOWPMZRSVVBTHO-LROIWZQWSA-N -1 0 337.372 2.588 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@H](C)C(=O)OC(C)(C)C)c1 ZINC001223892497 1311316578 /nfs/dbraw/zinc/31/65/78/1311316578.db2.gz JDRSCELSWRZBGB-BXWLNTHASA-N -1 0 325.361 2.586 20 30 EFEDRM CCC[C@@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(=O)OCC ZINC001223892226 1311316602 /nfs/dbraw/zinc/31/66/02/1311316602.db2.gz DEEDUJKGNASYHB-XEVXXXDWSA-N -1 0 325.361 2.588 20 30 EFEDRM CCC[C@H](CC(=O)OC)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893259 1311316900 /nfs/dbraw/zinc/31/69/00/1311316900.db2.gz TXRWTWGTIIBFNR-WGKGOADCSA-N -1 0 325.361 2.588 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccc2ccsc21 ZINC001224030037 1311334087 /nfs/dbraw/zinc/33/40/87/1311334087.db2.gz KZCCJNKAELMMLQ-CQSZACIVSA-N -1 0 342.438 2.877 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)nn1CCC#N ZINC000780397439 1311365471 /nfs/dbraw/zinc/36/54/71/1311365471.db2.gz LPLMYRHQHGJYJE-UHFFFAOYSA-N -1 0 340.355 2.844 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1ncc2cc(Cl)ccc2n1 ZINC001158964792 1311425102 /nfs/dbraw/zinc/42/51/02/1311425102.db2.gz ICJYDCJYBRRCGH-UHFFFAOYSA-N -1 0 328.719 2.709 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cc(C)nc(Cl)c1 ZINC001158967135 1311426547 /nfs/dbraw/zinc/42/65/47/1311426547.db2.gz IQTDCNWPWGFZDF-UHFFFAOYSA-N -1 0 341.705 2.888 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1ccc(F)c(Cl)n1 ZINC001158967206 1311426569 /nfs/dbraw/zinc/42/65/69/1311426569.db2.gz LTKALSIIHWLTSQ-UHFFFAOYSA-N -1 0 345.668 2.718 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCCc1ccccc1 ZINC001224810330 1311437358 /nfs/dbraw/zinc/43/73/58/1311437358.db2.gz POFVXHLVLSUOIS-KRWDZBQOSA-N -1 0 342.457 2.875 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCC[C@@H](C)c1ccccc1 ZINC001224995422 1311460803 /nfs/dbraw/zinc/46/08/03/1311460803.db2.gz RSXYYDQOEXUCCF-GDBMZVCRSA-N -1 0 328.430 2.656 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCC[C@H](C)c1ccccc1 ZINC001224995425 1311461032 /nfs/dbraw/zinc/46/10/32/1311461032.db2.gz RSXYYDQOEXUCCF-HOCLYGCPSA-N -1 0 328.430 2.656 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(N(C)C)c2)c1 ZINC000802213041 1311464742 /nfs/dbraw/zinc/46/47/42/1311464742.db2.gz MMCMLMONHUINGV-GOSISDBHSA-N -1 0 335.407 2.700 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001225231885 1311492682 /nfs/dbraw/zinc/49/26/82/1311492682.db2.gz OBKYZRUONAZISN-JTQLQIEISA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(F)(F)F)cc1 ZINC001225258459 1311496568 /nfs/dbraw/zinc/49/65/68/1311496568.db2.gz CRIFPRRQSWFBAO-GFCCVEGCSA-N -1 0 340.319 2.543 20 30 EFEDRM N#Cc1cccnc1N1CCC(Oc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001225493568 1311532017 /nfs/dbraw/zinc/53/20/17/1311532017.db2.gz DFQQEQRLABOSNK-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM C=CCOc1ccccc1[C@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1 ZINC001225729513 1311569746 /nfs/dbraw/zinc/56/97/46/1311569746.db2.gz ABSMAQJPRVXKJB-NSHDSACASA-N -1 0 330.340 2.674 20 30 EFEDRM CCOC(=O)[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(F)(F)F ZINC001225886373 1311586485 /nfs/dbraw/zinc/58/64/85/1311586485.db2.gz XXBBRYRCHGVXON-SECBINFHSA-N -1 0 336.159 2.821 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009211 1311601057 /nfs/dbraw/zinc/60/10/57/1311601057.db2.gz USQBIUZVBWBXKS-LBPRGKRZSA-N -1 0 332.718 2.911 20 30 EFEDRM C[C@@H]1C[C@H](Oc2[n-]c(=O)c(F)cc2C#N)CN1C(=O)OC(C)(C)C ZINC001226014667 1311601458 /nfs/dbraw/zinc/60/14/58/1311601458.db2.gz YYHADVUFLUSHDO-KOLCDFICSA-N -1 0 337.351 2.575 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(SC)c(C)c1 ZINC001226019384 1311601632 /nfs/dbraw/zinc/60/16/32/1311601632.db2.gz YSBAZCHYZPAVJI-ZDUSSCGKSA-N -1 0 332.443 2.555 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(SC)c(C)c1 ZINC001226019379 1311602016 /nfs/dbraw/zinc/60/20/16/1311602016.db2.gz YSBAZCHYZPAVJI-CYBMUJFWSA-N -1 0 332.443 2.555 20 30 EFEDRM CC[C@@H]1OC(=O)C(Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)=C1C ZINC001226063909 1311607806 /nfs/dbraw/zinc/60/78/06/1311607806.db2.gz MIENJDYRTNKMHP-VIFPVBQESA-N -1 0 328.246 2.666 20 30 EFEDRM Cc1c([C@@H](C)Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)cnn1C ZINC001226063358 1311607958 /nfs/dbraw/zinc/60/79/58/1311607958.db2.gz GVGBNYYYTOEUSH-MRVPVSSYSA-N -1 0 326.278 2.860 20 30 EFEDRM CCC[C@@H](CC(=O)OC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC001226066584 1311608599 /nfs/dbraw/zinc/60/85/99/1311608599.db2.gz BYCVDEMQBLZNPM-QMMMGPOBSA-N -1 0 332.278 2.788 20 30 EFEDRM COC(=O)[C@@H]1CCC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226068082 1311608744 /nfs/dbraw/zinc/60/87/44/1311608744.db2.gz MEGMTSBIZILIOU-RKDXNWHRSA-N -1 0 344.289 2.788 20 30 EFEDRM N#Cc1c(O[C@H]2CCCC3(C2)OCCO3)[n-]c(=O)cc1C(F)(F)F ZINC001226067765 1311608762 /nfs/dbraw/zinc/60/87/62/1311608762.db2.gz KHWAEOBGITVTAM-VIFPVBQESA-N -1 0 344.289 2.742 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1C#N ZINC001226222246 1311632542 /nfs/dbraw/zinc/63/25/42/1311632542.db2.gz WZZJEHOOOLCDJZ-DGCLKSJQSA-N -1 0 333.388 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1C#N ZINC001226222831 1311633186 /nfs/dbraw/zinc/63/31/86/1311633186.db2.gz HWDFCJIUSUZSSC-LBPRGKRZSA-N -1 0 340.339 2.533 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1C#N ZINC001226222940 1311633372 /nfs/dbraw/zinc/63/33/72/1311633372.db2.gz KHLCSDIJAVUVEW-JSGCOSHPSA-N -1 0 347.415 2.992 20 30 EFEDRM C[C@H](COc1ccccc1)OCCCOc1nccc(/C=N/O)n1 ZINC001226254843 1311637609 /nfs/dbraw/zinc/63/76/09/1311637609.db2.gz DBIHQJYLZBNWSB-ONDHQXCVSA-N -1 0 331.372 2.538 20 30 EFEDRM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)nnc2Br)C(C)(C)O1 ZINC001227067591 1311757884 /nfs/dbraw/zinc/75/78/84/1311757884.db2.gz ZXLDVHRALHNBGT-AMIZOPFISA-N -1 0 344.209 2.621 20 30 EFEDRM COc1cc2nc(=O)[n-]c(O[C@@H](C#N)c3ccccc3)c2cc1OC ZINC001227283458 1311788583 /nfs/dbraw/zinc/78/85/83/1311788583.db2.gz WKXAAGGDJMQSMJ-INIZCTEOSA-N -1 0 337.335 2.996 20 30 EFEDRM C=CC[C@@H](CCC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227328693 1311794269 /nfs/dbraw/zinc/79/42/69/1311794269.db2.gz IWHALXXMFRBUEQ-QMMMGPOBSA-N -1 0 345.193 2.855 20 30 EFEDRM COC(=O)c1cc(Br)c([O-])cc1OC1CC(C#N)C1 ZINC001227360707 1311797300 /nfs/dbraw/zinc/79/73/00/1311797300.db2.gz YLIPDXCVLFBSQR-UHFFFAOYSA-N -1 0 326.146 2.622 20 30 EFEDRM N#Cc1ccc(-c2ccc(F)cc2)nc1NCC(=O)CCC(=O)[O-] ZINC001160871105 1311799918 /nfs/dbraw/zinc/79/99/18/1311799918.db2.gz GJYYBRCXSWCABD-UHFFFAOYSA-N -1 0 327.315 2.605 20 30 EFEDRM N#Cc1c(Cl)c2ccc(F)cc2nc1NCC(=O)CCC(=O)[O-] ZINC001160876732 1311801203 /nfs/dbraw/zinc/80/12/03/1311801203.db2.gz NYGQUMYPLASWBD-UHFFFAOYSA-N -1 0 335.722 2.745 20 30 EFEDRM Cc1ccc2nc(NCC(=O)CCC(=O)[O-])c(C#N)c(Cl)c2c1 ZINC001160878225 1311801795 /nfs/dbraw/zinc/80/17/95/1311801795.db2.gz CMPPTSUVNQSADH-UHFFFAOYSA-N -1 0 331.759 2.914 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C(C)(C)C)ccc1O ZINC001227425375 1311805702 /nfs/dbraw/zinc/80/57/02/1311805702.db2.gz VMIJDMQHZINLNA-ZDUSSCGKSA-N -1 0 344.429 2.528 20 30 EFEDRM C#C[C@@H](Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC)C(C)C ZINC001227494437 1311812416 /nfs/dbraw/zinc/81/24/16/1311812416.db2.gz AXGKGHIGKQPGOX-SNVBAGLBSA-N -1 0 340.397 2.844 20 30 EFEDRM C=CCC(CC=C)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227620565 1311832051 /nfs/dbraw/zinc/83/20/51/1311832051.db2.gz LFVDQZYAJGKZEQ-UHFFFAOYSA-N -1 0 326.370 2.927 20 30 EFEDRM CSc1nc(O[C@@H](C)c2ccccc2C#N)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628101 1311833268 /nfs/dbraw/zinc/83/32/68/1311833268.db2.gz LPKUMKGQBIQZOO-QMMMGPOBSA-N -1 0 332.341 2.824 20 30 EFEDRM C#C[C@H]1CCC[C@@H]1Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636980 1311834563 /nfs/dbraw/zinc/83/45/63/1311834563.db2.gz FOFKUVMSJOWNSO-QWRGUYRKSA-N -1 0 336.340 2.519 20 30 EFEDRM C#C[C@H]1CCC[C@@H]1Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21 ZINC001227671740 1311837297 /nfs/dbraw/zinc/83/72/97/1311837297.db2.gz SFBJVCOOELWSNU-ZBEGNZNMSA-N -1 0 332.377 2.973 20 30 EFEDRM C#C[C@@H](Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001228811061 1312003596 /nfs/dbraw/zinc/00/35/96/1312003596.db2.gz NHOOYNAUWJXXMY-OAHLLOKOSA-N -1 0 327.292 2.840 20 30 EFEDRM CCN(CC)C(=O)[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228901374 1312017264 /nfs/dbraw/zinc/01/72/64/1312017264.db2.gz LPDHLMMCHJFEHL-INIZCTEOSA-N -1 0 325.368 2.647 20 30 EFEDRM CCOC(=O)C(F)(F)[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1 ZINC001228905928 1312018083 /nfs/dbraw/zinc/01/80/83/1312018083.db2.gz RJIMEQAFYAIBRS-AWEZNQCLSA-N -1 0 348.305 2.977 20 30 EFEDRM C#C[C@H](CCCCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228947468 1312024881 /nfs/dbraw/zinc/02/48/81/1312024881.db2.gz YJKNTMPYBDSTPZ-SECBINFHSA-N -1 0 346.168 2.748 20 30 EFEDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC001229357639 1312083510 /nfs/dbraw/zinc/08/35/10/1312083510.db2.gz WJOLPBWMVPDXNY-MBTVCVBTSA-N -1 0 345.326 2.707 20 30 EFEDRM N#Cc1cccnc1N1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229395398 1312088411 /nfs/dbraw/zinc/08/84/11/1312088411.db2.gz IACVQIQPOQIBOO-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM C#CC1(NC(F)(F)c2cc(Cl)nnc2C(=O)[O-])CCCCC1 ZINC001162485230 1312112120 /nfs/dbraw/zinc/11/21/20/1312112120.db2.gz JJBUNGOQUZLIQZ-UHFFFAOYSA-N -1 0 329.734 2.803 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(O)ccc1CCCC ZINC001229572760 1312114811 /nfs/dbraw/zinc/11/48/11/1312114811.db2.gz MQDLUPHEYRBFEY-OAHLLOKOSA-N -1 0 344.429 2.573 20 30 EFEDRM CC[C@H]1OC(C)=C(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)C1=O ZINC001229622846 1312121305 /nfs/dbraw/zinc/12/13/05/1312121305.db2.gz HAIYXVYVLRJHCG-OLZOCXBDSA-N -1 0 347.392 2.569 20 30 EFEDRM C=C[C@@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(=O)OC ZINC001229797834 1312141536 /nfs/dbraw/zinc/14/15/36/1312141536.db2.gz OTKPNKWAPPUITH-OAHLLOKOSA-N -1 0 326.304 2.758 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1nc[n-]c(=O)c1Cl ZINC001230018776 1312172639 /nfs/dbraw/zinc/17/26/39/1312172639.db2.gz TXWXPHWVSFMCJH-JTQLQIEISA-N -1 0 325.151 2.949 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000803006703 1312199757 /nfs/dbraw/zinc/19/97/57/1312199757.db2.gz SSDOCVYAVSXTBO-OAHLLOKOSA-N -1 0 333.494 3.000 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)c(C)ccc1Cl ZINC001230179096 1312200033 /nfs/dbraw/zinc/20/00/33/1312200033.db2.gz GNSNQUBVAYIWDZ-LBPRGKRZSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)c(C)ccc1Cl ZINC001230179095 1312200380 /nfs/dbraw/zinc/20/03/80/1312200380.db2.gz GNSNQUBVAYIWDZ-GFCCVEGCSA-N -1 0 334.821 2.795 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)CC(C)(C)S ZINC001230204239 1312205035 /nfs/dbraw/zinc/20/50/35/1312205035.db2.gz BIDRAQURLSFQQB-SECBINFHSA-N -1 0 336.413 2.988 20 30 EFEDRM COC(=O)c1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C)CC(C)(C)S ZINC001230204241 1312205314 /nfs/dbraw/zinc/20/53/14/1312205314.db2.gz BIDRAQURLSFQQB-VIFPVBQESA-N -1 0 336.413 2.988 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2cccc(F)c2c1 ZINC001230211342 1312205687 /nfs/dbraw/zinc/20/56/87/1312205687.db2.gz HZDUQCFMEFWKPZ-CQSZACIVSA-N -1 0 340.372 2.817 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2cccc(F)c2c1 ZINC001230211337 1312205871 /nfs/dbraw/zinc/20/58/71/1312205871.db2.gz HZDUQCFMEFWKPZ-AWEZNQCLSA-N -1 0 340.372 2.817 20 30 EFEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000803029499 1312215965 /nfs/dbraw/zinc/21/59/65/1312215965.db2.gz LSXZNVKTZURPOL-UHFFFAOYSA-N -1 0 348.430 2.953 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1-c1ccccn1 ZINC001230316335 1312221328 /nfs/dbraw/zinc/22/13/28/1312221328.db2.gz SDQKOKBIWHBJOF-CQSZACIVSA-N -1 0 349.408 2.586 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nc(Cl)cnc1C#N ZINC001163109464 1312242811 /nfs/dbraw/zinc/24/28/11/1312242811.db2.gz AWMNTBIFSNBBHQ-UHFFFAOYSA-N -1 0 326.747 2.945 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncc(Cl)nc1C#N ZINC001163109780 1312243123 /nfs/dbraw/zinc/24/31/23/1312243123.db2.gz NDDFXCSSFCOMLX-UHFFFAOYSA-N -1 0 326.747 2.945 20 30 EFEDRM N#Cc1c(Cl)nc2cccc(F)c2c1N[C@@H]1SC(=O)[N-]C1=O ZINC001163667448 1312357719 /nfs/dbraw/zinc/35/77/19/1312357719.db2.gz UGRYEXCOANGFEM-GFCCVEGCSA-N -1 0 336.735 2.620 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000903140834 1312400440 /nfs/dbraw/zinc/40/04/40/1312400440.db2.gz INGXEDXYVAVSDG-LLVKDONJSA-N -1 0 334.228 2.587 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)cc(C)n1)C1CCCCC1 ZINC000903141048 1312400939 /nfs/dbraw/zinc/40/09/39/1312400939.db2.gz KLYAQMOIKJJZPD-OAHLLOKOSA-N -1 0 337.445 2.599 20 30 EFEDRM CC[C@@H](C#Cc1ccccc1)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231075336 1312424121 /nfs/dbraw/zinc/42/41/21/1312424121.db2.gz CKUTWLXVVJFABL-NSHDSACASA-N -1 0 333.731 2.953 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)ncc1C#N ZINC000903170244 1312425866 /nfs/dbraw/zinc/42/58/66/1312425866.db2.gz FHZRMWQYAUMEDI-LLVKDONJSA-N -1 0 334.228 2.587 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1C#N ZINC000903172962 1312428414 /nfs/dbraw/zinc/42/84/14/1312428414.db2.gz HLVOPEVGKVVCLK-UHFFFAOYSA-N -1 0 338.458 2.760 20 30 EFEDRM O=C([N-]CCNc1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC001164244123 1312476900 /nfs/dbraw/zinc/47/69/00/1312476900.db2.gz VOVDUPXWYASLPE-UHFFFAOYSA-N -1 0 334.191 2.815 20 30 EFEDRM COC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2OC)c(C#N)c1 ZINC001211038485 1314427300 /nfs/dbraw/zinc/42/73/00/1314427300.db2.gz DTLARWWDPUGHPT-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM COC(=O)c1cc(Nc2cccc(C(=O)[O-])c2OC)ccc1C#N ZINC001211040461 1314427338 /nfs/dbraw/zinc/42/73/38/1314427338.db2.gz QEUAOYRQDOLVHP-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM N#Cc1cc2c(ccn2-c2ccc(NC(=O)CCC(=O)[O-])cc2)c(N)c1 ZINC001213191916 1314518850 /nfs/dbraw/zinc/51/88/50/1314518850.db2.gz LCKBUJKIIQNFNP-UHFFFAOYSA-N -1 0 348.362 2.888 20 30 EFEDRM N#Cc1cccc(C#N)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213187250 1314519376 /nfs/dbraw/zinc/51/93/76/1314519376.db2.gz GEHJABNDPWPUJC-UHFFFAOYSA-N -1 0 334.335 2.977 20 30 EFEDRM N#Cc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(C#N)c1 ZINC001213198739 1314519727 /nfs/dbraw/zinc/51/97/27/1314519727.db2.gz OYSCYXPDMYZUMP-UHFFFAOYSA-N -1 0 334.335 2.977 20 30 EFEDRM N#Cc1cccc(-c2cc(=O)n(C(=O)c3cc(-c4ccco4)n[nH]3)[n-]2)c1 ZINC001245937894 1314552574 /nfs/dbraw/zinc/55/25/74/1314552574.db2.gz XUZUDXUAPYESLU-UHFFFAOYSA-N -1 0 345.318 2.799 20 30 EFEDRM COc1cc(Nc2c(C#N)cnn2C2CCOCC2)cc(C(=O)[O-])c1 ZINC001213589060 1314577781 /nfs/dbraw/zinc/57/77/81/1314577781.db2.gz MGXSBNNUGYKSAI-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Br)cs2)C(=O)O1 ZINC000119861675 1314725476 /nfs/dbraw/zinc/72/54/76/1314725476.db2.gz FTMLDOQJJCIYQQ-JDGPPOGSSA-N -1 0 341.182 2.739 20 30 EFEDRM N#Cc1cnc2ccnn2c1Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214738154 1314733506 /nfs/dbraw/zinc/73/35/06/1314733506.db2.gz BERIZXTXRKODGV-UHFFFAOYSA-N -1 0 331.694 2.835 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215103458 1314781751 /nfs/dbraw/zinc/78/17/51/1314781751.db2.gz SFUYSTCESHGRFA-UHFFFAOYSA-N -1 0 326.209 2.948 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccccc3)s2)c1=O ZINC001318298411 1328548502 /nfs/dbraw/zinc/54/85/02/1328548502.db2.gz KTVTYLHFYLIOQK-UHFFFAOYSA-N -1 0 328.422 2.846 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215612224 1314857092 /nfs/dbraw/zinc/85/70/92/1314857092.db2.gz UMJNQDSGJCALHQ-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2c(C)cc(C#N)cc2C)cc1 ZINC001215646069 1314863267 /nfs/dbraw/zinc/86/32/67/1314863267.db2.gz KYTNLLZEMMCOAH-UHFFFAOYSA-N -1 0 343.408 2.744 20 30 EFEDRM CSc1nn(-c2ccc(Cl)c(C(=O)[O-])c2F)c(N)c1C#N ZINC001215695390 1314868881 /nfs/dbraw/zinc/86/88/81/1314868881.db2.gz OXXLPCBYLQOJHP-UHFFFAOYSA-N -1 0 326.740 2.539 20 30 EFEDRM COc1ccc([N-]c2nc(C#N)c(C#N)nc2Cl)c([N+](=O)[O-])c1 ZINC001248466203 1314937159 /nfs/dbraw/zinc/93/71/59/1314937159.db2.gz NKXMBAJIEMXOIR-UHFFFAOYSA-N -1 0 330.691 2.534 20 30 EFEDRM COc1cc(-c2nc(-c3cccc(C#N)c3)no2)cc([N+](=O)[O-])c1[O-] ZINC001216836996 1315013617 /nfs/dbraw/zinc/01/36/17/1315013617.db2.gz GJTRXTDCRMBXDO-UHFFFAOYSA-N -1 0 338.279 2.898 20 30 EFEDRM N#Cc1cccc(-c2noc(-c3ccc(-n4nn[n-]c4=S)cc3)n2)c1 ZINC001216920677 1315022944 /nfs/dbraw/zinc/02/29/44/1315022944.db2.gz XNQPTGYIOGUSHE-UHFFFAOYSA-N -1 0 347.363 2.540 20 30 EFEDRM N#Cc1cc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)ccc1[O-] ZINC001216969994 1315027122 /nfs/dbraw/zinc/02/71/22/1315027122.db2.gz WLNONQCSTPXPFV-UHFFFAOYSA-N -1 0 330.307 2.562 20 30 EFEDRM N#Cc1cc(-c2nc(-c3ccc4c(c3)OCCC4=O)no2)ccc1[O-] ZINC001216968098 1315027427 /nfs/dbraw/zinc/02/74/27/1315027427.db2.gz PZHIJVCQSMUVRV-UHFFFAOYSA-N -1 0 333.303 2.946 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3cc([O-])c(Cl)cc3[N+](=O)[O-])n2)nc1 ZINC001217101108 1315035372 /nfs/dbraw/zinc/03/53/72/1315035372.db2.gz KIWZYVXOSXMYSG-UHFFFAOYSA-N -1 0 343.686 2.937 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC001250874443 1315285586 /nfs/dbraw/zinc/28/55/86/1315285586.db2.gz HRXVEUMMOLMCSS-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1cccs1 ZINC001250875274 1315285630 /nfs/dbraw/zinc/28/56/30/1315285630.db2.gz ZHPLUHZUWKAWBY-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC001250961421 1315301448 /nfs/dbraw/zinc/30/14/48/1315301448.db2.gz IFNGBYHEHPRWCM-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001251006219 1315310614 /nfs/dbraw/zinc/31/06/14/1315310614.db2.gz WROQIIZJYKRWQC-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM C#Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001251397703 1315345871 /nfs/dbraw/zinc/34/58/71/1315345871.db2.gz BQPUJTXEHZRDLU-UHFFFAOYSA-N -1 0 343.191 2.876 20 30 EFEDRM CC(C)[C@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432980 1315348037 /nfs/dbraw/zinc/34/80/37/1315348037.db2.gz WAJUQDYHGXNFKB-LBPRGKRZSA-N -1 0 337.228 2.916 20 30 EFEDRM CC(C)C[C@H](C#N)NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251438987 1315348882 /nfs/dbraw/zinc/34/88/82/1315348882.db2.gz JXBWKVFDAPKTGR-SECBINFHSA-N -1 0 337.228 2.916 20 30 EFEDRM N#Cc1coc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251447738 1315349544 /nfs/dbraw/zinc/34/95/44/1315349544.db2.gz NZTZMNONUJABNE-UHFFFAOYSA-N -1 0 347.179 2.642 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)cc2)c1C#N ZINC001251620984 1315359940 /nfs/dbraw/zinc/35/99/40/1315359940.db2.gz RGNHCJRTFGGMST-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COC(=O)c1ccc(C(N)=NC(=O)c2c([O-])ccc3ccccc32)cc1 ZINC001220583067 1315428339 /nfs/dbraw/zinc/42/83/39/1315428339.db2.gz CKHBWDNIYJGVCT-UHFFFAOYSA-N -1 0 348.358 2.878 20 30 EFEDRM C=CCOC[C@@H](O)CNc1cc(Br)cc(Cl)c1O ZINC001252483870 1315456208 /nfs/dbraw/zinc/45/62/08/1315456208.db2.gz TWTOMLPURXCHIG-VIFPVBQESA-N -1 0 336.613 2.784 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253043021 1315560199 /nfs/dbraw/zinc/56/01/99/1315560199.db2.gz ZBPAPNZTACPTCT-MDZDMXLPSA-N -1 0 342.376 2.757 20 30 EFEDRM C#CCN(CC1CC1)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001253579502 1315617040 /nfs/dbraw/zinc/61/70/40/1315617040.db2.gz JUBBGWBODQIDGU-UHFFFAOYSA-N -1 0 327.359 2.511 20 30 EFEDRM CCCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001253786539 1315638346 /nfs/dbraw/zinc/63/83/46/1315638346.db2.gz CYCWPLQAYFKTCF-UHFFFAOYSA-N -1 0 338.820 2.939 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)c1cn(CCCCC(=O)[O-])nn1 ZINC001254081396 1315671500 /nfs/dbraw/zinc/67/15/00/1315671500.db2.gz HUBJVZTZQDQTOG-UHFFFAOYSA-N -1 0 328.372 2.719 20 30 EFEDRM CCCCCCCCc1cn(CCOCCOCCC(=O)[O-])nn1 ZINC001254088980 1315672094 /nfs/dbraw/zinc/67/20/94/1315672094.db2.gz PVWRWHSJUQJMTI-UHFFFAOYSA-N -1 0 341.452 2.689 20 30 EFEDRM C#CCOc1cccc(OCc2cn([C@H](C(=O)[O-])[C@@H](C)CC)nn2)c1 ZINC001254089242 1315672259 /nfs/dbraw/zinc/67/22/59/1315672259.db2.gz RCRYELGOUJMIGP-GUYCJALGSA-N -1 0 343.383 2.541 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2C#N)c1 ZINC001254431014 1315704090 /nfs/dbraw/zinc/70/40/90/1315704090.db2.gz QKIFRSPMJZDXDI-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255661083 1315854414 /nfs/dbraw/zinc/85/44/14/1315854414.db2.gz HXQZILKLRLGJHF-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001255984257 1315889380 /nfs/dbraw/zinc/88/93/80/1315889380.db2.gz GHRBEAJUOZZSOG-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC001255997638 1315890178 /nfs/dbraw/zinc/89/01/78/1315890178.db2.gz AQFQTWMSRDAVRQ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)c(C)cc1Cl ZINC001256148342 1315909557 /nfs/dbraw/zinc/90/95/57/1315909557.db2.gz SWQWKUKMWFFSRA-UHFFFAOYSA-N -1 0 336.804 2.728 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC001256441343 1315941290 /nfs/dbraw/zinc/94/12/90/1315941290.db2.gz QVPUHYURCSROMB-MRXNPFEDSA-N -1 0 341.367 2.811 20 30 EFEDRM C=CC[C@H](NC(=O)CSc1cccc(Br)c1)C(=O)[O-] ZINC001256560807 1315959091 /nfs/dbraw/zinc/95/90/91/1315959091.db2.gz VLQPUPFZKOEEEH-NSHDSACASA-N -1 0 344.230 2.687 20 30 EFEDRM COC(=O)[C@H](CCC(=O)[O-])NC1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010576 1316021259 /nfs/dbraw/zinc/02/12/59/1316021259.db2.gz CVLXTEYDGAJZMV-JCYILVPMSA-N -1 0 344.411 2.580 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccn1 ZINC001257190842 1316045060 /nfs/dbraw/zinc/04/50/60/1316045060.db2.gz NNNXNNSSSSHGRH-UHFFFAOYSA-N -1 0 327.192 2.592 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)ccn1 ZINC001257443198 1316066241 /nfs/dbraw/zinc/06/62/41/1316066241.db2.gz ULOVHKCGNWJRQE-UHFFFAOYSA-N -1 0 334.209 2.544 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)n1 ZINC001257449218 1316066368 /nfs/dbraw/zinc/06/63/68/1316066368.db2.gz YWUYPAFIYODKIO-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257450881 1316066713 /nfs/dbraw/zinc/06/67/13/1316066713.db2.gz HHWXMNXEJDRBNH-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM O=C(/C=C/[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F ZINC001257780373 1316092078 /nfs/dbraw/zinc/09/20/78/1316092078.db2.gz MIWACAKDLYHOIS-SNAWJCMRSA-N -1 0 348.129 2.917 20 30 EFEDRM COc1ccc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2c1 ZINC001258038879 1316114500 /nfs/dbraw/zinc/11/45/00/1316114500.db2.gz FWEVEFRAEHPDPR-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(=O)c1oc2cccnc2c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045853 1316115035 /nfs/dbraw/zinc/11/50/35/1316115035.db2.gz YVZHVZKEXOJIKW-UHFFFAOYSA-N -1 0 341.348 2.703 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccn2)cc1 ZINC001258053734 1316115549 /nfs/dbraw/zinc/11/55/49/1316115549.db2.gz MGYPQSLJQIMUKC-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(C)c1c(Cl)ncnc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258053938 1316115582 /nfs/dbraw/zinc/11/55/82/1316115582.db2.gz SEGKQYIKPLJEFJ-UHFFFAOYSA-N -1 0 336.804 2.926 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)nc2)cc1 ZINC001258054019 1316115831 /nfs/dbraw/zinc/11/58/31/1316115831.db2.gz WFJSXVDZQRCXJG-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258202158 1316131088 /nfs/dbraw/zinc/13/10/88/1316131088.db2.gz XNLHYCJEMRFPEU-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(F)cc1 ZINC001258208409 1316131454 /nfs/dbraw/zinc/13/14/54/1316131454.db2.gz OFHNZLPTSCFNFR-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(OC(F)(F)F)ccn1 ZINC001258214640 1316131798 /nfs/dbraw/zinc/13/17/98/1316131798.db2.gz LKHNFEQOJJYEPV-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)nc1 ZINC001258215069 1316131842 /nfs/dbraw/zinc/13/18/42/1316131842.db2.gz YQQBAINFTPQBBI-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)nc1 ZINC001258214733 1316131968 /nfs/dbraw/zinc/13/19/68/1316131968.db2.gz QMNBLTPNTOGBBH-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1csc(-c2ccncc2)n1 ZINC001258214434 1316132029 /nfs/dbraw/zinc/13/20/29/1316132029.db2.gz GARTWOOLZBAHOS-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnn1 ZINC001258214598 1316132122 /nfs/dbraw/zinc/13/21/22/1316132122.db2.gz KNMICEIIMUGDQP-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC1(C)c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2NC1=O ZINC001258279263 1316136352 /nfs/dbraw/zinc/13/63/52/1316136352.db2.gz XCQVEHWZFIQZAG-UHFFFAOYSA-N -1 0 341.392 2.589 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258283488 1316136392 /nfs/dbraw/zinc/13/63/92/1316136392.db2.gz XBOBOIQMNIRHAY-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC001258282811 1316136441 /nfs/dbraw/zinc/13/64/41/1316136441.db2.gz AJBMQIRXEZHACQ-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1C ZINC001258438107 1316150814 /nfs/dbraw/zinc/15/08/14/1316150814.db2.gz BDDWFFJQKDMRJG-UHFFFAOYSA-N -1 0 342.783 2.502 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1C(F)(F)F ZINC001258637439 1316169055 /nfs/dbraw/zinc/16/90/55/1316169055.db2.gz LRKJCSBMWXPSDJ-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C#N)cc(C(F)(F)F)c1 ZINC001258651092 1316169958 /nfs/dbraw/zinc/16/99/58/1316169958.db2.gz XTBCOSMMVOCWGU-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C#N ZINC001258908889 1316191402 /nfs/dbraw/zinc/19/14/02/1316191402.db2.gz NRZQVSSUUDXUNL-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1O ZINC001258916594 1316192419 /nfs/dbraw/zinc/19/24/19/1316192419.db2.gz OLKZJOSGCDCHMD-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC001258942364 1316194850 /nfs/dbraw/zinc/19/48/50/1316194850.db2.gz OKUQZWWPGJSJAD-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c(OC)c1 ZINC001258959223 1316197506 /nfs/dbraw/zinc/19/75/06/1316197506.db2.gz OTMVEKUPFRMHSA-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccsc1C#N)C(=O)C2 ZINC001258967636 1316198276 /nfs/dbraw/zinc/19/82/76/1316198276.db2.gz YQMVVHBBKZZQKE-BONVTDFDSA-N -1 0 338.454 2.757 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccsc1C#N)C(=O)C2 ZINC001258980275 1316198601 /nfs/dbraw/zinc/19/86/01/1316198601.db2.gz YQMVVHBBKZZQKE-MEBBXXQBSA-N -1 0 338.454 2.757 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259035828 1316200235 /nfs/dbraw/zinc/20/02/35/1316200235.db2.gz YSQFQJPQBDHKBY-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259039727 1316200597 /nfs/dbraw/zinc/20/05/97/1316200597.db2.gz LXYCLVICQKJKMH-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1C#N ZINC001259040409 1316201206 /nfs/dbraw/zinc/20/12/06/1316201206.db2.gz HTGCQGMZKQGMTF-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259053334 1316202696 /nfs/dbraw/zinc/20/26/96/1316202696.db2.gz OSKMQVNNZRNNHJ-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2c(F)cccc2F)cc1F ZINC001259069756 1316204350 /nfs/dbraw/zinc/20/43/50/1316204350.db2.gz RZZORVPNWNWUHY-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)c(Cl)c1 ZINC001259106717 1316210301 /nfs/dbraw/zinc/21/03/01/1316210301.db2.gz CGNOTQFTPKVSRH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259106890 1316210312 /nfs/dbraw/zinc/21/03/12/1316210312.db2.gz QMUBGTRKIPFDRZ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)n1 ZINC001259107123 1316210682 /nfs/dbraw/zinc/21/06/82/1316210682.db2.gz FFSCPRMDUNYZBH-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)c(Cl)c1 ZINC001259107495 1316210732 /nfs/dbraw/zinc/21/07/32/1316210732.db2.gz AJGAFOOUKRUXJR-UHFFFAOYSA-N -1 0 336.804 2.934 20 30 EFEDRM Cn1cc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2n1 ZINC001259112569 1316210908 /nfs/dbraw/zinc/21/09/08/1316210908.db2.gz ULYLOBQXSNWCNB-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1ccc(CO)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259113669 1316210934 /nfs/dbraw/zinc/21/09/34/1316210934.db2.gz IZAKMBOCOHDQKU-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2CO)c(Cl)c1 ZINC001259113279 1316210953 /nfs/dbraw/zinc/21/09/53/1316210953.db2.gz NLHLXLWXQQUEPE-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cncnc3c2)c(Cl)c1 ZINC001259112949 1316210972 /nfs/dbraw/zinc/21/09/72/1316210972.db2.gz UPTNXHRSKUOJIH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CO)c2)c(Cl)c1 ZINC001259112403 1316211210 /nfs/dbraw/zinc/21/12/10/1316211210.db2.gz GGPPYZIXCIJNNB-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(O)c1 ZINC001259112668 1316211230 /nfs/dbraw/zinc/21/12/30/1316211230.db2.gz BNFWANDKRSACKZ-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC001259118439 1316211588 /nfs/dbraw/zinc/21/15/88/1316211588.db2.gz OTRJGPSBVDMKHP-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125185 1316212353 /nfs/dbraw/zinc/21/23/53/1316212353.db2.gz MPVPDOWHZVZWRG-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124992 1316212386 /nfs/dbraw/zinc/21/23/86/1316212386.db2.gz FMBFTDXYTDSBRK-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124874 1316212419 /nfs/dbraw/zinc/21/24/19/1316212419.db2.gz WORKSVFNNSCYGK-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cccc3cnccc32)cc1Cl ZINC001259152099 1316213620 /nfs/dbraw/zinc/21/36/20/1316213620.db2.gz SDMBFBKDSBJEPH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)c(O)cc1F ZINC001259157667 1316214266 /nfs/dbraw/zinc/21/42/66/1316214266.db2.gz PVPITEMEUBAVJZ-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC001259177654 1316215887 /nfs/dbraw/zinc/21/58/87/1316215887.db2.gz MLHNNRHZPNGBJB-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2OC)c(C#N)c1 ZINC001259204807 1316219614 /nfs/dbraw/zinc/21/96/14/1316219614.db2.gz STWAXIHBAIUQLE-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1 ZINC001259204275 1316219804 /nfs/dbraw/zinc/21/98/04/1316219804.db2.gz LPUIXEJRHHFAPA-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1 ZINC001259258606 1316223507 /nfs/dbraw/zinc/22/35/07/1316223507.db2.gz PZCSBHSCLFZDBL-UHFFFAOYSA-N -1 0 332.429 2.760 20 30 EFEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccccn3)n2)s1 ZINC001259284641 1316224967 /nfs/dbraw/zinc/22/49/67/1316224967.db2.gz RNIXTPGFTPYSMO-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259306081 1316228179 /nfs/dbraw/zinc/22/81/79/1316228179.db2.gz BNKXPPGJRBQQDJ-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259306040 1316228187 /nfs/dbraw/zinc/22/81/87/1316228187.db2.gz YSBWCNUBUBVAKY-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259312360 1316229303 /nfs/dbraw/zinc/22/93/03/1316229303.db2.gz HNWXHLRXDRSWLI-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C#N)n1 ZINC001259332136 1316230872 /nfs/dbraw/zinc/23/08/72/1316230872.db2.gz HKWUXPXKYLEGPL-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357144 1316232452 /nfs/dbraw/zinc/23/24/52/1316232452.db2.gz PVDGVRLARWGDLV-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259357798 1316232863 /nfs/dbraw/zinc/23/28/63/1316232863.db2.gz SPJJRCFYBBIQQJ-UHFFFAOYSA-N -1 0 336.319 2.572 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259369782 1316234080 /nfs/dbraw/zinc/23/40/80/1316234080.db2.gz TWNUCLBEVCZYIS-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C#N)c1 ZINC001259383510 1316235104 /nfs/dbraw/zinc/23/51/04/1316235104.db2.gz CYRZZLSGZOLNAJ-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C#N)c1C ZINC001259377749 1316235392 /nfs/dbraw/zinc/23/53/92/1316235392.db2.gz PNELMLORMNRYHM-UHFFFAOYSA-N -1 0 349.393 2.884 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259384586 1316235840 /nfs/dbraw/zinc/23/58/40/1316235840.db2.gz ZRBQANBLURDUOQ-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cnc1C#N ZINC001259391797 1316236940 /nfs/dbraw/zinc/23/69/40/1316236940.db2.gz GZOMGZABOVUGCP-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2snc3cccnc32)ccc1F ZINC001259413654 1316239839 /nfs/dbraw/zinc/23/98/39/1316239839.db2.gz UIUQIXNTGVARPJ-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418761 1316240275 /nfs/dbraw/zinc/24/02/75/1316240275.db2.gz PXEBFALVLGBBLV-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1F ZINC001259418646 1316240588 /nfs/dbraw/zinc/24/05/88/1316240588.db2.gz JOTIDLMCUZAXJP-UHFFFAOYSA-N -1 0 332.356 2.823 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cnc1C#N ZINC001259425084 1316241724 /nfs/dbraw/zinc/24/17/24/1316241724.db2.gz SFPBXMIAIWHGBB-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259430648 1316242349 /nfs/dbraw/zinc/24/23/49/1316242349.db2.gz YEMUWTLDDIQROX-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259445933 1316244037 /nfs/dbraw/zinc/24/40/37/1316244037.db2.gz BGVRZWQVQPYUTL-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C#N)c1 ZINC001259480528 1316249428 /nfs/dbraw/zinc/24/94/28/1316249428.db2.gz PVNIPLHDHZTZKU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)cc1F ZINC001259481932 1316249437 /nfs/dbraw/zinc/24/94/37/1316249437.db2.gz DBNZETDULKOWMV-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259499930 1316252194 /nfs/dbraw/zinc/25/21/94/1316252194.db2.gz BENYNPGVBHAFBY-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259507107 1316253258 /nfs/dbraw/zinc/25/32/58/1316253258.db2.gz AYCXZMDAJXMWQR-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259512096 1316254330 /nfs/dbraw/zinc/25/43/30/1316254330.db2.gz PWHUJJNVOXCLJP-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C=CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)CC1CCCCC1 ZINC001259621119 1316263396 /nfs/dbraw/zinc/26/33/96/1316263396.db2.gz KYPKMYLURRTNOE-HNNXBMFYSA-N -1 0 331.478 2.630 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)CC2CCCCC2)c(C#N)c1 ZINC001259620191 1316263530 /nfs/dbraw/zinc/26/35/30/1316263530.db2.gz CKYXTLOQMXSYNQ-UHFFFAOYSA-N -1 0 336.413 2.667 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761385 1316274520 /nfs/dbraw/zinc/27/45/20/1316274520.db2.gz AAVYDYIWQWBCIW-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(C#N)c1 ZINC001259761785 1316274638 /nfs/dbraw/zinc/27/46/38/1316274638.db2.gz VRQJMUGEIXMKBL-UHFFFAOYSA-N -1 0 329.356 2.553 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(C#N)c1 ZINC001259786598 1316278570 /nfs/dbraw/zinc/27/85/70/1316278570.db2.gz DLFPXZDIXNHJTJ-UHFFFAOYSA-N -1 0 346.383 2.884 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259849679 1316286947 /nfs/dbraw/zinc/28/69/47/1316286947.db2.gz JRGDALMCENMKHO-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259855295 1316287862 /nfs/dbraw/zinc/28/78/62/1316287862.db2.gz FBRWMRYWFDDIIN-UHFFFAOYSA-N -1 0 333.800 2.896 20 30 EFEDRM COC(=O)c1sc(SC)c(C#N)c1[N-]S(=O)(=O)CC(C)C ZINC001259878317 1316291359 /nfs/dbraw/zinc/29/13/59/1316291359.db2.gz HBFSDODYMFOLGJ-UHFFFAOYSA-N -1 0 348.471 2.526 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]c1cc(F)c(Br)cc1C#N ZINC001259887344 1316292592 /nfs/dbraw/zinc/29/25/92/1316292592.db2.gz XMPWVTHHZDYTSE-UHFFFAOYSA-N -1 0 335.198 2.858 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1sc2c(c1C(=O)OCC)CCCC2 ZINC001259922635 1316298001 /nfs/dbraw/zinc/29/80/01/1316298001.db2.gz OYAVGURYXIJGLY-UHFFFAOYSA-N -1 0 329.443 2.731 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260010310 1316306103 /nfs/dbraw/zinc/30/61/03/1316306103.db2.gz ZIBAKPHDFUJRED-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2C)c(C#N)c1 ZINC001260023582 1316307847 /nfs/dbraw/zinc/30/78/47/1316307847.db2.gz JWSVBGJDQNAGSJ-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2nc3ccc(F)cc3o2)cc1 ZINC001260037533 1316309719 /nfs/dbraw/zinc/30/97/19/1316309719.db2.gz RTZAMZVEZUWPEO-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1 ZINC001260044887 1316310763 /nfs/dbraw/zinc/31/07/63/1316310763.db2.gz PTDGOFJXTWAIOX-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c2ccncc12 ZINC001260088061 1316314315 /nfs/dbraw/zinc/31/43/15/1316314315.db2.gz NCIDANNZYBYFGL-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001260135132 1316318282 /nfs/dbraw/zinc/31/82/82/1316318282.db2.gz ZXOVLJHOUOJQML-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM C[C@H](C#N)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260189729 1316321811 /nfs/dbraw/zinc/32/18/11/1316321811.db2.gz ZXKCUKZGOYPJJX-LLVKDONJSA-N -1 0 330.365 2.813 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C#N ZINC001260297854 1316330194 /nfs/dbraw/zinc/33/01/94/1316330194.db2.gz CVQQRDPAOZWQCG-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C#N ZINC001260347765 1316332951 /nfs/dbraw/zinc/33/29/51/1316332951.db2.gz OBTRGDIFXIRBQD-UHFFFAOYSA-N -1 0 333.316 2.541 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(O)cc1F ZINC001260355367 1316333804 /nfs/dbraw/zinc/33/38/04/1316333804.db2.gz VVZHARKGGCYZCV-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM C=CCN(C1CCCCC1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260397685 1316336988 /nfs/dbraw/zinc/33/69/88/1316336988.db2.gz FAEZXKLTJAJLAY-UHFFFAOYSA-N -1 0 339.413 2.600 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC001260441127 1316339012 /nfs/dbraw/zinc/33/90/12/1316339012.db2.gz PPHFDNUPJPWCHW-UHFFFAOYSA-N -1 0 342.380 2.825 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441114 1316339048 /nfs/dbraw/zinc/33/90/48/1316339048.db2.gz OUAHXVYBQVOKIR-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)cn1 ZINC001260529199 1316343457 /nfs/dbraw/zinc/34/34/57/1316343457.db2.gz QFDNFICTXYSVNC-UHFFFAOYSA-N -1 0 341.417 2.987 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc(CC)c1C#N ZINC001260548112 1316345198 /nfs/dbraw/zinc/34/51/98/1316345198.db2.gz BFNXCDVIZMVYSY-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(C3(C#N)CCCC3)cc2)cn1C ZINC001260548309 1316345466 /nfs/dbraw/zinc/34/54/66/1316345466.db2.gz QSTCFZCRTFAPKM-UHFFFAOYSA-N -1 0 344.440 2.865 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1 ZINC001260567839 1316346324 /nfs/dbraw/zinc/34/63/24/1316346324.db2.gz RHUSIUUTWMEEEO-UHFFFAOYSA-N -1 0 332.429 2.825 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cc1 ZINC001260566961 1316346412 /nfs/dbraw/zinc/34/64/12/1316346412.db2.gz NMKIZKYUJPOOSE-UHFFFAOYSA-N -1 0 332.429 2.825 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cc1 ZINC001260572274 1316346974 /nfs/dbraw/zinc/34/69/74/1316346974.db2.gz NHNJOIYLARSSAU-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)cc1 ZINC001260573704 1316347593 /nfs/dbraw/zinc/34/75/93/1316347593.db2.gz PXCKDZMAGKZFPO-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628196 1316350264 /nfs/dbraw/zinc/35/02/64/1316350264.db2.gz JWNSNRBUYVLAFO-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c(C#N)c1 ZINC001260649261 1316354008 /nfs/dbraw/zinc/35/40/08/1316354008.db2.gz QYLUJXCGEZYBGC-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1F ZINC001260657194 1316355298 /nfs/dbraw/zinc/35/52/98/1316355298.db2.gz FTEMUWXXYJETQR-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1F ZINC001260662385 1316356604 /nfs/dbraw/zinc/35/66/04/1316356604.db2.gz PEOKHHMZUMHMMW-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccccc2)s1 ZINC001260678874 1316357782 /nfs/dbraw/zinc/35/77/82/1316357782.db2.gz NLCATTFVBQZWOR-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)s1 ZINC001260684892 1316358658 /nfs/dbraw/zinc/35/86/58/1316358658.db2.gz CJEQRKJMUIRZBS-UHFFFAOYSA-N -1 0 335.450 2.980 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)ccc1F ZINC001260756768 1316365117 /nfs/dbraw/zinc/36/51/17/1316365117.db2.gz RCSQDUMHTGCINO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)ccc1C#N ZINC001260771194 1316367437 /nfs/dbraw/zinc/36/74/37/1316367437.db2.gz CODHFLBLICWFOG-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c1 ZINC001260801663 1316369555 /nfs/dbraw/zinc/36/95/55/1316369555.db2.gz KKVSHLKFTKYBRN-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2occ(C)c2C#N)cc1Cl ZINC001260968649 1316379176 /nfs/dbraw/zinc/37/91/76/1316379176.db2.gz HXWABIYOVQNZGB-UHFFFAOYSA-N -1 0 326.761 2.923 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)cc1Cl ZINC001260973355 1316379750 /nfs/dbraw/zinc/37/97/50/1316379750.db2.gz MKKVXHBEZZUPDU-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260978549 1316380019 /nfs/dbraw/zinc/38/00/19/1316380019.db2.gz KQDYWDUVDSEPRT-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C)c2C)cc1OC ZINC001260999343 1316383326 /nfs/dbraw/zinc/38/33/26/1316383326.db2.gz XZWQVTCMAXXRBO-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261005019 1316384263 /nfs/dbraw/zinc/38/42/63/1316384263.db2.gz ROARMBXZAWQTQT-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001261029654 1316386349 /nfs/dbraw/zinc/38/63/49/1316386349.db2.gz KDUOGYSMFJJCGE-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261066294 1316387507 /nfs/dbraw/zinc/38/75/07/1316387507.db2.gz PTVBJLQUEHHWQY-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1C#N ZINC001261071226 1316388101 /nfs/dbraw/zinc/38/81/01/1316388101.db2.gz SESGRBWOIPNMPK-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM C=CCC[C@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC001261113186 1316391256 /nfs/dbraw/zinc/39/12/56/1316391256.db2.gz PDGTYCGNWIUJMO-ZDUSSCGKSA-N -1 0 344.333 2.810 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC001261889288 1316436434 /nfs/dbraw/zinc/43/64/34/1316436434.db2.gz UIWILQVBWGQELX-CABZTGNLSA-N -1 0 346.305 2.975 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC001263375624 1316538944 /nfs/dbraw/zinc/53/89/44/1316538944.db2.gz UHKQJMDLEOJAMD-CYBMUJFWSA-N -1 0 347.334 2.919 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC001263375625 1316539010 /nfs/dbraw/zinc/53/90/10/1316539010.db2.gz UHKQJMDLEOJAMD-ZDUSSCGKSA-N -1 0 347.334 2.919 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC001319105223 1328780321 /nfs/dbraw/zinc/78/03/21/1328780321.db2.gz LDVBIJBSKJRTKU-UHFFFAOYSA-N -1 0 338.392 2.944 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)N(CC)C1CCCCC1 ZINC001319164021 1328794456 /nfs/dbraw/zinc/79/44/56/1328794456.db2.gz ORZMUEUNQVUBOG-UHFFFAOYSA-N -1 0 328.478 2.770 20 30 EFEDRM COc1nc(Cl)c(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1C ZINC001319622295 1328932513 /nfs/dbraw/zinc/93/25/13/1328932513.db2.gz AKFQCYDYKHZQNB-GQCTYLIASA-N -1 0 337.719 2.592 20 30 EFEDRM O=C([O-])c1cccc(COc2cccc(C=NN3CCCC3=O)c2)c1 ZINC001319716095 1328961754 /nfs/dbraw/zinc/96/17/54/1328961754.db2.gz UBUMFEKFHQMXQE-UHFFFAOYSA-N -1 0 338.363 2.920 20 30 EFEDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001320004455 1329055207 /nfs/dbraw/zinc/05/52/07/1329055207.db2.gz BFGBOWOKDJUACA-UHFFFAOYSA-N -1 0 341.396 2.649 20 30 EFEDRM C=CC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001320088881 1329073372 /nfs/dbraw/zinc/07/33/72/1329073372.db2.gz HBZXPEIITIRVNM-FNQVVVRFSA-N -1 0 326.736 2.881 20 30 EFEDRM Cn1c(=O)[n-]c(Oc2ccc3oc4ccccc4c3c2)c(C#N)c1=O ZINC001306915835 1324731317 /nfs/dbraw/zinc/73/13/17/1324731317.db2.gz MWUXTKCZWINWSW-UHFFFAOYSA-N -1 0 333.303 2.637 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001321110464 1329344174 /nfs/dbraw/zinc/34/41/74/1329344174.db2.gz LGRFDHWMPODMCT-JTQLQIEISA-N -1 0 325.434 2.784 20 30 EFEDRM C=CC[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001321206611 1329356426 /nfs/dbraw/zinc/35/64/26/1329356426.db2.gz PXAPEAHJGQIYJW-LBPRGKRZSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1ccc(Br)c(C)c1)C(=O)[O-] ZINC001321206218 1329356566 /nfs/dbraw/zinc/35/65/66/1329356566.db2.gz KFBQBCDQLPVKDW-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2noc(-c3cccs3)n2)cc1 ZINC001321382815 1329381078 /nfs/dbraw/zinc/38/10/78/1329381078.db2.gz KLJCBZOZZUFIAR-UHFFFAOYSA-N -1 0 346.393 2.665 20 30 EFEDRM C=CC[C@H](NC(=O)NCC1(c2ccc(F)cc2Cl)CC1)C(=O)[O-] ZINC001321581949 1329396825 /nfs/dbraw/zinc/39/68/25/1329396825.db2.gz CENWOXGNTQPBEJ-ZDUSSCGKSA-N -1 0 340.782 2.839 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)[O-] ZINC001321657035 1329401238 /nfs/dbraw/zinc/40/12/38/1329401238.db2.gz AICBSTDFCSOGDE-MRXNPFEDSA-N -1 0 344.411 2.664 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC001321658117 1329401721 /nfs/dbraw/zinc/40/17/21/1329401721.db2.gz OETNQSVYWBQDNF-CQSZACIVSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001322512934 1329464116 /nfs/dbraw/zinc/46/41/16/1329464116.db2.gz CGOLKEIVRWLTBY-JTQLQIEISA-N -1 0 348.733 2.770 20 30 EFEDRM C=CC[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC001322599727 1329471163 /nfs/dbraw/zinc/47/11/63/1329471163.db2.gz JQNYXBLZRXBCNO-ZDUSSCGKSA-N -1 0 344.392 2.760 20 30 EFEDRM CC(C)NC(=S)NN=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC001324190988 1329606814 /nfs/dbraw/zinc/60/68/14/1329606814.db2.gz HQCCFFKUHQGWRJ-UHFFFAOYSA-N -1 0 339.848 2.685 20 30 EFEDRM CC(=NNC(=S)NCc1cccnc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001324473793 1329631409 /nfs/dbraw/zinc/63/14/09/1329631409.db2.gz NKKOVWOUVIQDTH-KGLIPLIRSA-N -1 0 348.472 2.559 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001324530202 1329636547 /nfs/dbraw/zinc/63/65/47/1329636547.db2.gz KTYCVMZVMNRBFP-CQSZACIVSA-N -1 0 330.409 2.555 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC001325065345 1329668784 /nfs/dbraw/zinc/66/87/84/1329668784.db2.gz OQRPRDDZWZSKFG-HNNXBMFYSA-N -1 0 334.416 2.830 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001325066125 1329668857 /nfs/dbraw/zinc/66/88/57/1329668857.db2.gz QYEHVLWQXYXAPH-CHWSQXEVSA-N -1 0 338.791 2.882 20 30 EFEDRM C=CC[C@@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001325142453 1329673044 /nfs/dbraw/zinc/67/30/44/1329673044.db2.gz DODIJQPSVNSMDL-CQSZACIVSA-N -1 0 348.399 2.722 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001325143699 1329673171 /nfs/dbraw/zinc/67/31/71/1329673171.db2.gz MBVLLECUKPYOMR-AWEZNQCLSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)n(CC3CC3)c2C)CC1 ZINC001325914471 1329723490 /nfs/dbraw/zinc/72/34/90/1329723490.db2.gz VELNXANFWLRNIE-UHFFFAOYSA-N -1 0 336.457 2.683 20 30 EFEDRM C=C[C@H](C)ONC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001326504852 1330307189 /nfs/dbraw/zinc/30/71/89/1330307189.db2.gz DSYCXMAUVLTOIK-JTQLQIEISA-N -1 0 336.417 2.825 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1c(OC)ccc2ccccc21)C(=O)[O-] ZINC001326929874 1330385705 /nfs/dbraw/zinc/38/57/05/1330385705.db2.gz HJWIZRLMLRTEAU-OAHLLOKOSA-N -1 0 328.368 2.677 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001326930591 1330386145 /nfs/dbraw/zinc/38/61/45/1330386145.db2.gz LQKSITOFUHQFNB-LBPRGKRZSA-N -1 0 330.306 2.576 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC001327014649 1330399702 /nfs/dbraw/zinc/39/97/02/1330399702.db2.gz YVERHKMLVCITLA-AWEZNQCLSA-N -1 0 336.363 2.569 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3C[C@H]3CC)cc2[n-]c1=S ZINC001330798706 1330766303 /nfs/dbraw/zinc/76/63/03/1330766303.db2.gz KGPBOJJCTHOUHX-YPMHNXCESA-N -1 0 343.452 2.647 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001331475287 1330842006 /nfs/dbraw/zinc/84/20/06/1330842006.db2.gz ZYQPZJLMSSOARD-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM CC1(C)C[C@H](NN=Cc2cccc(OCCC(=O)[O-])c2)C(C)(C)O1 ZINC001332009359 1330904096 /nfs/dbraw/zinc/90/40/96/1330904096.db2.gz HFUJVZCOPXCSCW-HNNXBMFYSA-N -1 0 334.416 2.810 20 30 EFEDRM CC#CC[C@@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC001332032081 1330907474 /nfs/dbraw/zinc/90/74/74/1330907474.db2.gz HYRSULBXTCENAR-MRXNPFEDSA-N -1 0 344.436 2.987 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-] ZINC001332474752 1330976162 /nfs/dbraw/zinc/97/61/62/1330976162.db2.gz XIKMTTQYYGKUFP-OLZOCXBDSA-N -1 0 336.363 2.756 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-] ZINC001332474754 1330976378 /nfs/dbraw/zinc/97/63/78/1330976378.db2.gz XIKMTTQYYGKUFP-STQMWFEESA-N -1 0 336.363 2.756 20 30 EFEDRM COc1nc(Cl)c(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)n1C ZINC001333120950 1331081283 /nfs/dbraw/zinc/08/12/83/1331081283.db2.gz IMLZQFFIGCEYHK-ALCCZGGFSA-N -1 0 336.731 2.586 20 30 EFEDRM CC#CC[C@@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001333185137 1331090486 /nfs/dbraw/zinc/09/04/86/1331090486.db2.gz FZPRDVDQHSBRBX-OAHLLOKOSA-N -1 0 330.409 2.775 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC001333331527 1331119344 /nfs/dbraw/zinc/11/93/44/1331119344.db2.gz BBBGHRMFXMNFNA-GWCFXTLKSA-N -1 0 340.217 2.773 20 30 EFEDRM C[C@H](Oc1cccc(C=NN[C@H]2CC(C)(C)OC2(C)C)c1)C(=O)[O-] ZINC001333669109 1331191426 /nfs/dbraw/zinc/19/14/26/1331191426.db2.gz AUACNNZXRPRXRO-WFASDCNBSA-N -1 0 334.416 2.808 20 30 EFEDRM C=CCNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001336997217 1331525196 /nfs/dbraw/zinc/52/51/96/1331525196.db2.gz GWBQYSHWRGEWMM-UHFFFAOYSA-N -1 0 334.995 2.833 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC001337551943 1331584539 /nfs/dbraw/zinc/58/45/39/1331584539.db2.gz SSUHSSAGHAJHSP-ZDUSSCGKSA-N -1 0 343.452 2.642 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001338693969 1331726457 /nfs/dbraw/zinc/72/64/57/1331726457.db2.gz SHLANHUNWZWTJF-OKILXGFUSA-N -1 0 342.447 2.680 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N(C)CC(=C)C ZINC001338709805 1331727804 /nfs/dbraw/zinc/72/78/04/1331727804.db2.gz ROGIEHATAUZAMH-UHFFFAOYSA-N -1 0 326.404 2.516 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccccc1 ZINC001338850416 1331746704 /nfs/dbraw/zinc/74/67/04/1331746704.db2.gz ANZYFWLOFPWPJB-UHFFFAOYSA-N -1 0 338.415 2.690 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001339281182 1331833619 /nfs/dbraw/zinc/83/36/19/1331833619.db2.gz OKPVBIMSIHFTCV-CYBMUJFWSA-N -1 0 343.452 2.793 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001339453917 1331871469 /nfs/dbraw/zinc/87/14/69/1331871469.db2.gz DZFBDVPWMGWGJH-CYBMUJFWSA-N -1 0 338.415 2.730 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC001339941417 1332118242 /nfs/dbraw/zinc/11/82/42/1332118242.db2.gz DSGWORDWYBWHHZ-UHFFFAOYSA-N -1 0 347.440 2.650 20 30 EFEDRM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC=C)C1 ZINC001340206724 1332154114 /nfs/dbraw/zinc/15/41/14/1332154114.db2.gz AEFMWFRBYKFNHT-AWEZNQCLSA-N -1 0 342.447 2.846 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001340208111 1332154235 /nfs/dbraw/zinc/15/42/35/1332154235.db2.gz YOPYEDLISMWBRA-ZDUSSCGKSA-N -1 0 344.463 2.926 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@H]1CC ZINC001340331324 1332175354 /nfs/dbraw/zinc/17/53/54/1332175354.db2.gz JLVJPRMQRSWKJL-CYBMUJFWSA-N -1 0 330.436 2.822 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1cccs1 ZINC001340331739 1332175427 /nfs/dbraw/zinc/17/54/27/1332175427.db2.gz OYENLHXYELQCSN-UHFFFAOYSA-N -1 0 344.444 2.751 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC1CC1)C1CCC1 ZINC001340331439 1332175491 /nfs/dbraw/zinc/17/54/91/1332175491.db2.gz LMBXBUPZCQAUGM-UHFFFAOYSA-N -1 0 342.447 2.822 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]1CCC ZINC001342026872 1332296591 /nfs/dbraw/zinc/29/65/91/1332296591.db2.gz RPHHJJSHMIJMTB-CYBMUJFWSA-N -1 0 330.436 2.822 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]1CC ZINC001342248699 1332323496 /nfs/dbraw/zinc/32/34/96/1332323496.db2.gz VHOYERDKKBJGPV-CYBMUJFWSA-N -1 0 330.436 2.822 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC=C(C)C1 ZINC001342258602 1332325271 /nfs/dbraw/zinc/32/52/71/1332325271.db2.gz VQUMDALGTGOHKH-UHFFFAOYSA-N -1 0 328.420 2.600 20 30 EFEDRM C=CC1CCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC(=C)C)CC1 ZINC001342356141 1332328407 /nfs/dbraw/zinc/32/84/07/1332328407.db2.gz VIVADRQYOUFGBI-UHFFFAOYSA-N -1 0 342.447 2.846 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001343006749 1332338922 /nfs/dbraw/zinc/33/89/22/1332338922.db2.gz GAAQHNXPXUMSRX-OKILXGFUSA-N -1 0 342.447 2.680 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1CC ZINC001343473344 1332348958 /nfs/dbraw/zinc/34/89/58/1332348958.db2.gz JIGMYZMYWKHSQA-AWEZNQCLSA-N -1 0 330.432 2.799 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(=C)CC1 ZINC001343599020 1332361134 /nfs/dbraw/zinc/36/11/34/1332361134.db2.gz JEGKCGDTLNKLAX-UHFFFAOYSA-N -1 0 336.399 2.650 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(Cl)n1 ZINC001343696936 1332370815 /nfs/dbraw/zinc/37/08/15/1332370815.db2.gz DTSUBUHEPSGQGE-LLVKDONJSA-N -1 0 345.790 2.552 20 30 EFEDRM C=CC[C@@H](NCc1cccc(Br)c1[O-])C(=O)OCC ZINC001343731607 1332374280 /nfs/dbraw/zinc/37/42/80/1332374280.db2.gz FFUXYJXWSXXYDC-GFCCVEGCSA-N -1 0 328.206 2.752 20 30 EFEDRM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1cccc(F)n1)C(N)=O ZINC001344035900 1332398929 /nfs/dbraw/zinc/39/89/29/1332398929.db2.gz PQHHUDGACFZQHC-JQWIXIFHSA-N -1 0 343.383 2.677 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001344551415 1332462837 /nfs/dbraw/zinc/46/28/37/1332462837.db2.gz BWLZHGPEFFDABV-CQSZACIVSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC001344551763 1332462905 /nfs/dbraw/zinc/46/29/05/1332462905.db2.gz FYXNOSXNYLYFDX-INIZCTEOSA-N -1 0 338.363 2.698 20 30 EFEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC001345730770 1332567475 /nfs/dbraw/zinc/56/74/75/1332567475.db2.gz QXNTWPMKEHAQGC-SNVBAGLBSA-N -1 0 342.424 2.685 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccnc1OC)c1ccccc1 ZINC001345871537 1332580269 /nfs/dbraw/zinc/58/02/69/1332580269.db2.gz DQQIVPBKBRXOLX-CVEARBPZSA-N -1 0 337.379 2.680 20 30 EFEDRM C=CC[C@H]1CCCN(c2nnc(-c3c[nH]oc3=O)n2CC2CC2)C1 ZINC001345978696 1332589755 /nfs/dbraw/zinc/58/97/55/1332589755.db2.gz XGZPSSACRQIEKC-LBPRGKRZSA-N -1 0 329.404 2.841 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccn1 ZINC001346064410 1332596093 /nfs/dbraw/zinc/59/60/93/1332596093.db2.gz BZZKSQAQBSHSRL-LBPRGKRZSA-N -1 0 335.392 2.819 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC001346097440 1332599072 /nfs/dbraw/zinc/59/90/72/1332599072.db2.gz DWWBLMQKXAXRAF-GFCCVEGCSA-N -1 0 337.217 2.913 20 30 EFEDRM C=C(C)Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001346637025 1332665952 /nfs/dbraw/zinc/66/59/52/1332665952.db2.gz WSARQFCXBOBACQ-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001346671423 1332670787 /nfs/dbraw/zinc/67/07/87/1332670787.db2.gz XDPINDHMVVSEQT-MELADBBJSA-N -1 0 344.463 2.924 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC(C)C)cc1F ZINC000847534402 1333856206 /nfs/dbraw/zinc/85/62/06/1333856206.db2.gz RXMREZOPQKYEEN-LBPRGKRZSA-N -1 0 338.379 2.811 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000847636595 1334051856 /nfs/dbraw/zinc/05/18/56/1334051856.db2.gz YGKYTNYTWMVAGL-CQSZACIVSA-N -1 0 348.468 2.763 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cc3n(n2)CCCC3)cc1CC(=O)[O-] ZINC000848639872 1334821076 /nfs/dbraw/zinc/82/10/76/1334821076.db2.gz XXQRDPMNKQZENY-SREVYHEPSA-N -1 0 340.379 2.751 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ncc1C#N ZINC000848698877 1334848162 /nfs/dbraw/zinc/84/81/62/1334848162.db2.gz AJKAZEYSVZSECB-UHFFFAOYSA-N -1 0 329.381 2.604 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC(C)(C)C[C@@H]1C ZINC001355889052 1334898616 /nfs/dbraw/zinc/89/86/16/1334898616.db2.gz WKHCWSGKPQVLMO-LBPRGKRZSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001355889011 1334898707 /nfs/dbraw/zinc/89/87/07/1334898707.db2.gz VPGWNYHDKHZLQR-ZFWWWQNUSA-N -1 0 342.447 2.822 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001355889009 1334899027 /nfs/dbraw/zinc/89/90/27/1334899027.db2.gz VPGWNYHDKHZLQR-HIFRSBDPSA-N -1 0 342.447 2.822 20 30 EFEDRM N#CC1(NC(=O)COC(=O)c2ccc([O-])c(Cl)c2)CCCCC1 ZINC000848950332 1335005035 /nfs/dbraw/zinc/00/50/35/1335005035.db2.gz HTZTYVNTVTUWNP-UHFFFAOYSA-N -1 0 336.775 2.545 20 30 EFEDRM COc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC001356349144 1335023854 /nfs/dbraw/zinc/02/38/54/1335023854.db2.gz IMVSGDOMANDOSX-SECBINFHSA-N -1 0 345.309 2.664 20 30 EFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000849332328 1335592638 /nfs/dbraw/zinc/59/26/38/1335592638.db2.gz LZWIAECCMICRSJ-HNNXBMFYSA-N -1 0 337.441 2.681 20 30 EFEDRM N#C[C@H](CO)Cc1cccc(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC000849475286 1335626021 /nfs/dbraw/zinc/62/60/21/1335626021.db2.gz KQYJLPCSDOCVAC-RDTXWAMCSA-N -1 0 325.364 2.536 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)no1 ZINC001361426446 1336072179 /nfs/dbraw/zinc/07/21/79/1336072179.db2.gz XTCJGELLJMXEJL-UHFFFAOYSA-N -1 0 331.353 2.525 20 30 EFEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c(F)c1 ZINC001361480013 1336112842 /nfs/dbraw/zinc/11/28/42/1336112842.db2.gz NUBQJPNLXXPCBD-UHFFFAOYSA-N -1 0 333.344 2.781 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C#N)c(F)c2)cc1C#N ZINC001361481915 1336113916 /nfs/dbraw/zinc/11/39/16/1336113916.db2.gz LUWUCKMUPXYFDO-UHFFFAOYSA-N -1 0 328.328 2.644 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)cc1C#N ZINC001361703593 1336283140 /nfs/dbraw/zinc/28/31/40/1336283140.db2.gz XQVMOIOKPXPFOH-VIFPVBQESA-N -1 0 341.392 2.956 20 30 EFEDRM COc1ccc2c(c1)CN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)C2 ZINC001361776700 1336329174 /nfs/dbraw/zinc/32/91/74/1336329174.db2.gz ZNLBEAQBYOWEMH-UHFFFAOYSA-N -1 0 341.392 2.545 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c([O-])c2)CC1 ZINC001362205161 1336553095 /nfs/dbraw/zinc/55/30/95/1336553095.db2.gz RDAWXBPGINEASU-UHFFFAOYSA-N -1 0 341.798 2.880 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1ncc(Br)cc1[O-])CC2 ZINC001362437454 1336610002 /nfs/dbraw/zinc/61/00/02/1336610002.db2.gz URHZPAUYWAMOGH-UHFFFAOYSA-N -1 0 344.168 2.624 20 30 EFEDRM COc1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC001363555377 1336929366 /nfs/dbraw/zinc/92/93/66/1336929366.db2.gz KHSBJRALSKAFHY-UHFFFAOYSA-N -1 0 337.257 2.939 20 30 EFEDRM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001363982832 1337136221 /nfs/dbraw/zinc/13/62/21/1337136221.db2.gz JKCAJXKZMHMXLA-MSRIBSCDSA-N -1 0 328.384 2.939 20 30 EFEDRM N#Cc1cccnc1N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001364209600 1337181382 /nfs/dbraw/zinc/18/13/82/1337181382.db2.gz GAOMPCWRLGAXGD-CYBMUJFWSA-N -1 0 346.312 2.695 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3cc(F)c(F)cc3C2)cc1C#N ZINC001437129926 1387406825 /nfs/dbraw/zinc/40/68/25/1387406825.db2.gz RCKBDKCPYXRVTQ-UHFFFAOYSA-N -1 0 347.346 2.815 20 30 EFEDRM C[C@H](NC(=O)c1ncc(Br)cc1[O-])c1cccc(C#N)c1 ZINC001419627385 1375579227 /nfs/dbraw/zinc/57/92/27/1375579227.db2.gz GFJBSBOXZONIMB-VIFPVBQESA-N -1 0 346.184 2.912 20 30 EFEDRM C[C@@H](NC(=O)c1ncc(Br)cc1[O-])c1cccc(C#N)c1 ZINC001419627340 1375580267 /nfs/dbraw/zinc/58/02/67/1375580267.db2.gz GFJBSBOXZONIMB-SECBINFHSA-N -1 0 346.184 2.912 20 30 EFEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2cc(C#N)ncn2)c1 ZINC001421122444 1378154107 /nfs/dbraw/zinc/15/41/07/1378154107.db2.gz IWUNEAIDEHEBGK-UHFFFAOYSA-N -1 0 335.289 2.579 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001546230949 1398268064 /nfs/dbraw/zinc/26/80/64/1398268064.db2.gz JSAKMSIXLNQFDY-HNNXBMFYSA-N -1 0 348.362 2.741 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495086 1427111660 /nfs/dbraw/zinc/11/16/60/1427111660.db2.gz QRIVMMWTJPEOGE-WOLCWHLNSA-N -1 0 335.452 2.797 20 30 EFEDRM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000737729724 1428351910 /nfs/dbraw/zinc/35/19/10/1428351910.db2.gz CAIJYVHXILEWAU-UHFFFAOYSA-N -1 0 331.364 2.833 20 30 EFEDRM N#CC1(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000826379908 1428366326 /nfs/dbraw/zinc/36/63/26/1428366326.db2.gz GRTNYPHPWOKXQP-HJWRWDBZSA-N -1 0 337.383 2.897 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000822823184 1428374235 /nfs/dbraw/zinc/37/42/35/1428374235.db2.gz MKWWLSHRHQMYGX-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824385384 1428440996 /nfs/dbraw/zinc/44/09/96/1428440996.db2.gz RVWNCHUHDYGBAN-GFCCVEGCSA-N -1 0 348.366 2.691 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821343933 1428661526 /nfs/dbraw/zinc/66/15/26/1428661526.db2.gz ZQWNHYXLTJDZPK-SOFGYWHQSA-N -1 0 338.323 2.533 20 30 EFEDRM c1ccc2c(c1)CCSCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823796493 1428670898 /nfs/dbraw/zinc/67/08/98/1428670898.db2.gz CFQDHFNDRLOWCQ-UHFFFAOYSA-N -1 0 336.424 2.972 20 30 EFEDRM C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823899532 1428770248 /nfs/dbraw/zinc/77/02/48/1428770248.db2.gz XPIPAZYWXZCJEC-SNVBAGLBSA-N -1 0 336.779 2.545 20 30 EFEDRM Cn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447643 1414455300 /nfs/dbraw/zinc/45/53/00/1414455300.db2.gz VBDGTNMAUQRKTN-CZUORRHYSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552453688 1414456685 /nfs/dbraw/zinc/45/66/85/1414456685.db2.gz LYAFJALDKJKSEK-WFASDCNBSA-N -1 0 346.362 2.823 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552454845 1414457694 /nfs/dbraw/zinc/45/76/94/1414457694.db2.gz QWAODZJUHSZNSF-WBMJQRKESA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552760244 1414550445 /nfs/dbraw/zinc/55/04/45/1414550445.db2.gz NZDNMZPZRFLLQE-HIFRSBDPSA-N -1 0 328.372 2.777 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826380180 1428834647 /nfs/dbraw/zinc/83/46/47/1428834647.db2.gz QEDFSIPHOXZNBB-QGZVFWFLSA-N -1 0 344.378 2.566 20 30 EFEDRM C=CCOc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823931857 1428840957 /nfs/dbraw/zinc/84/09/57/1428840957.db2.gz HXDDMRBSCQVJDG-QGZVFWFLSA-N -1 0 338.367 2.544 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735431546 1428881812 /nfs/dbraw/zinc/88/18/12/1428881812.db2.gz DNAALICWNTVTQY-UHFFFAOYSA-N -1 0 349.398 2.786 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819688657 1428918237 /nfs/dbraw/zinc/91/82/37/1428918237.db2.gz LSWXMDJRGOZONC-GFCCVEGCSA-N -1 0 333.351 2.789 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C12CCCCC2 ZINC000736619609 1428961476 /nfs/dbraw/zinc/96/14/76/1428961476.db2.gz YKQALMSGEDJXBW-LBPRGKRZSA-N -1 0 345.407 2.690 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735660601 1428969161 /nfs/dbraw/zinc/96/91/61/1428969161.db2.gz DWHDAZXCAYPCGT-UHFFFAOYSA-N -1 0 341.400 2.609 20 30 EFEDRM C=CCC[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894023 1429015338 /nfs/dbraw/zinc/01/53/38/1429015338.db2.gz FAKCTVOQCBHTPD-CQSZACIVSA-N -1 0 328.372 2.534 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826382302 1429027859 /nfs/dbraw/zinc/02/78/59/1429027859.db2.gz XNDUVBLDIXYPHO-SNAWJCMRSA-N -1 0 337.364 2.727 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(F)ccc1O ZINC000823953890 1429040757 /nfs/dbraw/zinc/04/07/57/1429040757.db2.gz UISFRZCONYWKQK-UHFFFAOYSA-N -1 0 347.741 2.596 20 30 EFEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccn2)s1 ZINC000819718941 1429124767 /nfs/dbraw/zinc/12/47/67/1429124767.db2.gz VHOOMUHVFHBCSF-UHFFFAOYSA-N -1 0 348.395 2.831 20 30 EFEDRM COC(=O)c1cc(C(=O)C(C#N)c2ccccn2)n(-c2ccccc2)n1 ZINC000103329856 1416766978 /nfs/dbraw/zinc/76/69/78/1416766978.db2.gz UPGYQUBWSNAMQK-CQSZACIVSA-N -1 0 346.346 2.544 20 30 EFEDRM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819693558 1429183514 /nfs/dbraw/zinc/18/35/14/1429183514.db2.gz UEJNLOSBDKMBEC-OAHLLOKOSA-N -1 0 344.440 2.691 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824004645 1429186352 /nfs/dbraw/zinc/18/63/52/1429186352.db2.gz BDUZDKOFEOGKPM-KTKRTIGZSA-N -1 0 333.351 2.721 20 30 EFEDRM Cc1ccc(C#N)cc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822225013 1429203595 /nfs/dbraw/zinc/20/35/95/1429203595.db2.gz JRMAOSNZHRYOLA-UHFFFAOYSA-N -1 0 335.367 2.895 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C1CCCC1 ZINC000153450586 1418258983 /nfs/dbraw/zinc/25/89/83/1418258983.db2.gz MZEVCPJQJOHIFM-OAHLLOKOSA-N -1 0 328.416 2.688 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000159779469 1418286313 /nfs/dbraw/zinc/28/63/13/1418286313.db2.gz NVYMSANJCMPYJV-BXKDBHETSA-N -1 0 341.205 2.839 20 30 EFEDRM N#Cc1ccc(F)c(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822829732 1429294224 /nfs/dbraw/zinc/29/42/24/1429294224.db2.gz GNXBJZYFIGZNOA-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000823894790 1429560926 /nfs/dbraw/zinc/56/09/26/1429560926.db2.gz XFGVOBGTIJPBEQ-NSHDSACASA-N -1 0 330.392 2.742 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000169258796 1422771824 /nfs/dbraw/zinc/77/18/24/1422771824.db2.gz BZOGKTLOAAUDEV-JTQLQIEISA-N -1 0 343.177 2.609 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401129 1429627109 /nfs/dbraw/zinc/62/71/09/1429627109.db2.gz QGMGSNFMJROPNG-ORCRQEGFSA-N -1 0 336.326 2.837 20 30 EFEDRM C=CC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000189334450 1423349022 /nfs/dbraw/zinc/34/90/22/1423349022.db2.gz BSOKUJRJPSFBDG-KRWDZBQOSA-N -1 0 333.395 2.843 20 30 EFEDRM C#CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838813 1423462178 /nfs/dbraw/zinc/46/21/78/1423462178.db2.gz VEKPBYNWNNMRJU-GOSISDBHSA-N -1 0 345.406 2.680 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2ccc(F)cc21 ZINC000823503367 1423471293 /nfs/dbraw/zinc/47/12/93/1423471293.db2.gz DXUUELHPNXPVHE-VMPITWQZSA-N -1 0 328.328 2.726 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(F)c2F)o1 ZINC000735655543 1423711137 /nfs/dbraw/zinc/71/11/37/1423711137.db2.gz BDNJSIDBFSXWAQ-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM N#Cc1ccc(Cl)cc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826385746 1423813760 /nfs/dbraw/zinc/81/37/60/1423813760.db2.gz YXLGRJZLWXMFFT-CQSZACIVSA-N -1 0 341.758 2.504 20 30 EFEDRM C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136580 1423852381 /nfs/dbraw/zinc/85/23/81/1423852381.db2.gz HCUPWHAAWKBWEX-SECBINFHSA-N -1 0 325.763 2.960 20 30 EFEDRM C[C@](C#N)(NC(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000819844302 1423892723 /nfs/dbraw/zinc/89/27/23/1423892723.db2.gz BMQCTXJNUZEEAM-OAHLLOKOSA-N -1 0 330.417 2.521 20 30 EFEDRM C=CCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894066 1423895757 /nfs/dbraw/zinc/89/57/57/1423895757.db2.gz GSPHBLFSDOGOKX-GFCCVEGCSA-N -1 0 330.388 2.922 20 30 EFEDRM C[C@H](CN(C)C(=O)c1ccccc1-c1ccccc1C#N)c1nn[n-]n1 ZINC000183410506 1423980850 /nfs/dbraw/zinc/98/08/50/1423980850.db2.gz FCNZRXSLDIGHAP-CYBMUJFWSA-N -1 0 346.394 2.614 20 30 EFEDRM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@](C)(C#N)C1 ZINC000826304639 1429697523 /nfs/dbraw/zinc/69/75/23/1429697523.db2.gz SNWSVUICQKRENC-SFHVURJKSA-N -1 0 333.399 2.853 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824137241 1429709708 /nfs/dbraw/zinc/70/97/08/1429709708.db2.gz ZCQNODGSVITNFZ-PLNGDYQASA-N -1 0 328.401 2.845 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1F ZINC000821309516 1424264081 /nfs/dbraw/zinc/26/40/81/1424264081.db2.gz OOSHYZDSVGJVOW-UHFFFAOYSA-N -1 0 337.362 2.921 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826382964 1424599574 /nfs/dbraw/zinc/59/95/74/1424599574.db2.gz CSNAKWGOUCOYTL-UHFFFAOYSA-N -1 0 329.776 2.542 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000160089844 1424655868 /nfs/dbraw/zinc/65/58/68/1424655868.db2.gz ZYZBZLFOIRNWQP-UHFFFAOYSA-N -1 0 348.366 2.534 20 30 EFEDRM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396971 1424826566 /nfs/dbraw/zinc/82/65/66/1424826566.db2.gz PUQXOLAELDBJQV-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM FC(F)(F)c1csc(N=NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822729105 1425202813 /nfs/dbraw/zinc/20/28/13/1425202813.db2.gz STBBPTALPZVLQV-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716922 1425263057 /nfs/dbraw/zinc/26/30/57/1425263057.db2.gz WZAGBQDBNMEHCP-INIZCTEOSA-N -1 0 344.378 2.797 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(CC#N)cc1 ZINC000825610040 1425321914 /nfs/dbraw/zinc/32/19/14/1425321914.db2.gz XDOAJFMNDFOXLW-UHFFFAOYSA-N -1 0 349.350 2.551 20 30 EFEDRM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000824371622 1425335690 /nfs/dbraw/zinc/33/56/90/1425335690.db2.gz MAESRZXYPFFKND-ZZXKWVIFSA-N -1 0 326.335 2.679 20 30 EFEDRM CC(N=Nc1ncccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962096 1425629515 /nfs/dbraw/zinc/62/95/15/1425629515.db2.gz DZXLROJCBGBDJL-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM COc1ccc(C=NNc2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000826191193 1425767726 /nfs/dbraw/zinc/76/77/26/1425767726.db2.gz ZQKCGJKSDGMZEH-UHFFFAOYSA-N -1 0 326.335 2.769 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737705274 1425895853 /nfs/dbraw/zinc/89/58/53/1425895853.db2.gz NJZHVGWSZHWQEV-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737231670 1425962423 /nfs/dbraw/zinc/96/24/23/1425962423.db2.gz RVTVCQHWOZWKAJ-UHFFFAOYSA-N -1 0 335.367 2.813 20 30 EFEDRM COc1cc(C#N)ccc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826176850 1426017480 /nfs/dbraw/zinc/01/74/80/1426017480.db2.gz HHLDKVJSQDCWGA-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)n1 ZINC000826178254 1426069290 /nfs/dbraw/zinc/06/92/90/1426069290.db2.gz PZBQPEHESBXEGO-SNAWJCMRSA-N -1 0 341.396 2.845 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000826401610 1426119065 /nfs/dbraw/zinc/11/90/65/1426119065.db2.gz CKOOEBOBEBQCRY-KHPPLWFESA-N -1 0 342.362 2.949 20 30 EFEDRM Cc1ccc(C#N)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826281484 1426328643 /nfs/dbraw/zinc/32/86/43/1426328643.db2.gz UTMWFYDTOMTPTC-UHFFFAOYSA-N -1 0 343.394 2.736 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822837404 1426415843 /nfs/dbraw/zinc/41/58/43/1426415843.db2.gz NJIILIZDUDAHSF-VMPITWQZSA-N -1 0 349.325 2.634 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(F)ccc(F)c21 ZINC000826475988 1426484671 /nfs/dbraw/zinc/48/46/71/1426484671.db2.gz YBQJDRYDEZEFKS-ALCCZGGFSA-N -1 0 346.318 2.865 20 30 EFEDRM CC(CC1CCOCC1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820235887 1426502904 /nfs/dbraw/zinc/50/29/04/1426502904.db2.gz UVSTXFPXHLDVSG-UHFFFAOYSA-N -1 0 347.423 2.757 20 30 EFEDRM CCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000825649532 1426539200 /nfs/dbraw/zinc/53/92/00/1426539200.db2.gz RETLSDUOHZQXDF-UHFFFAOYSA-N -1 0 343.778 2.760 20 30 EFEDRM C#CC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838382 1426605235 /nfs/dbraw/zinc/60/52/35/1426605235.db2.gz OZOKHIFZJXXMPC-OAHLLOKOSA-N -1 0 348.435 2.918 20 30 EFEDRM C=CCSCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000819759261 1426606456 /nfs/dbraw/zinc/60/64/56/1426606456.db2.gz RDFVAMZJZBLZQU-UHFFFAOYSA-N -1 0 346.847 2.821 20 30 EFEDRM FC(F)(F)c1cc(N=NCC2CCOCC2)ccc1-c1nn[n-]n1 ZINC000826368371 1426639654 /nfs/dbraw/zinc/63/96/54/1426639654.db2.gz MVKVUMMPGQAUJH-UHFFFAOYSA-N -1 0 340.309 2.710 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409895 1426783571 /nfs/dbraw/zinc/78/35/71/1426783571.db2.gz NYWFCGHUCIJNMT-KRWDZBQOSA-N -1 0 348.410 2.628 20 30 EFEDRM N#Cc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826384768 1426819526 /nfs/dbraw/zinc/81/95/26/1426819526.db2.gz JAEIIQSUCZEICY-UHFFFAOYSA-N -1 0 327.351 2.899 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494792 1426832662 /nfs/dbraw/zinc/83/26/62/1426832662.db2.gz CTDUSWOSPXGPAC-GJZGRUSLSA-N -1 0 337.468 2.876 20 30 EFEDRM C#CCCCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819693900 1426843239 /nfs/dbraw/zinc/84/32/39/1426843239.db2.gz YHJNYKRFZJQNNO-UHFFFAOYSA-N -1 0 340.431 2.592 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)COc2c(F)ccc(F)c21 ZINC000826475328 1426881558 /nfs/dbraw/zinc/88/15/58/1426881558.db2.gz CDJSKFIDTXYRLG-YRNVUSSQSA-N -1 0 340.289 2.804 20 30 EFEDRM C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873295 1426898384 /nfs/dbraw/zinc/89/83/84/1426898384.db2.gz KYITYHOQEKAPRH-IUODEOHRSA-N -1 0 330.388 2.842 20 30 EFEDRM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Cl)c(C#N)n1 ZINC000821702063 1426919284 /nfs/dbraw/zinc/91/92/84/1426919284.db2.gz GKCTZFJOIGKKIY-UHFFFAOYSA-N -1 0 328.719 2.588 20 30 EFEDRM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736057526 1427006111 /nfs/dbraw/zinc/00/61/11/1427006111.db2.gz WPHGHFLCPWXFFK-JTQLQIEISA-N -1 0 337.412 2.611 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495083 1427147658 /nfs/dbraw/zinc/14/76/58/1427147658.db2.gz QRIVMMWTJPEOGE-AUECHBEKSA-N -1 0 335.452 2.797 20 30 EFEDRM Cc1cccc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305487 1427147746 /nfs/dbraw/zinc/14/77/46/1427147746.db2.gz YIJYHAAKFBPCIY-GHXNOFRVSA-N -1 0 336.326 2.973 20 30 EFEDRM CCn1nc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1C ZINC000821566528 1427204065 /nfs/dbraw/zinc/20/40/65/1427204065.db2.gz ILBIAGHRKSCCIN-GXDHUFHOSA-N -1 0 348.410 2.912 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401187 1427221669 /nfs/dbraw/zinc/22/16/69/1427221669.db2.gz RPWIDXUESMZFHR-ZZXKWVIFSA-N -1 0 327.325 2.733 20 30 EFEDRM COc1ccc(C=NNCc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000821787322 1427253913 /nfs/dbraw/zinc/25/39/13/1427253913.db2.gz RHKAYODHRYKPMB-UHFFFAOYSA-N -1 0 342.790 2.652 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)COC2 ZINC000822922926 1427291537 /nfs/dbraw/zinc/29/15/37/1427291537.db2.gz LADSHQXBPCUBPD-AATRIKPKSA-N -1 0 336.326 2.932 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000824035056 1427427931 /nfs/dbraw/zinc/42/79/31/1427427931.db2.gz SITVPOLCEZJWME-SNVBAGLBSA-N -1 0 326.385 2.831 20 30 EFEDRM C=CC[C@H](C)NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735410083 1427492974 /nfs/dbraw/zinc/49/29/74/1427492974.db2.gz SZRSZPVULYOMKL-ZDUSSCGKSA-N -1 0 328.420 2.753 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824035203 1427549491 /nfs/dbraw/zinc/54/94/91/1427549491.db2.gz UDAQZCHQWFJWAG-LLVKDONJSA-N -1 0 338.346 2.909 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826176814 1427754096 /nfs/dbraw/zinc/75/40/96/1427754096.db2.gz FRJUNDJGQSOEHV-UTCJRWHESA-N -1 0 330.344 2.972 20 30 EFEDRM C#CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823837985 1427755219 /nfs/dbraw/zinc/75/52/19/1427755219.db2.gz JZPMEFWSVULHOW-SWNWVQGVSA-N -1 0 343.390 2.761 20 30 EFEDRM CC[C@@H]1C[C@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184382 1427825213 /nfs/dbraw/zinc/82/52/13/1427825213.db2.gz SVWQUSHKUZNWCA-GHMZBOCLSA-N -1 0 333.396 2.581 20 30 EFEDRM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735503588 1427899702 /nfs/dbraw/zinc/89/97/02/1427899702.db2.gz JXVRXURPLJKXDT-NSHDSACASA-N -1 0 334.339 2.757 20 30 EFEDRM Fc1ccc(F)c2c1CCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826375412 1427911320 /nfs/dbraw/zinc/91/13/20/1427911320.db2.gz MJCKXQISNRKVKN-UHFFFAOYSA-N -1 0 340.337 2.585 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819976584 1427949193 /nfs/dbraw/zinc/94/91/93/1427949193.db2.gz YFXKZKUIYJDVFC-UHFFFAOYSA-N -1 0 341.400 2.609 20 30 EFEDRM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1O ZINC000825615981 1427962257 /nfs/dbraw/zinc/96/22/57/1427962257.db2.gz RLVHIZLWHOJEJR-GQCTYLIASA-N -1 0 342.380 2.929 20 30 EFEDRM C=C(Cl)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819729041 1428011338 /nfs/dbraw/zinc/01/13/38/1428011338.db2.gz ASZXOYWVOGPNCP-UHFFFAOYSA-N -1 0 332.669 2.795 20 30 EFEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824280216 1428121057 /nfs/dbraw/zinc/12/10/57/1428121057.db2.gz GYXAFHUCTXSPQH-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C(F)(F)F ZINC000819743788 1428153874 /nfs/dbraw/zinc/15/38/74/1428153874.db2.gz QAMXFTACBRQAQF-JTQLQIEISA-N -1 0 339.321 2.580 20 30 EFEDRM C=CCC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894372 1429862791 /nfs/dbraw/zinc/86/27/91/1429862791.db2.gz OKWQWHQVENQOJK-SWLSCSKDSA-N -1 0 342.399 2.922 20 30 EFEDRM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826217279 1429885112 /nfs/dbraw/zinc/88/51/12/1429885112.db2.gz GFKBVAGRTQDMIW-ZHACJKMWSA-N -1 0 336.351 2.780 20 30 EFEDRM C=CCCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819739811 1429892260 /nfs/dbraw/zinc/89/22/60/1429892260.db2.gz IRUVJODZOLBODH-UHFFFAOYSA-N -1 0 339.359 2.726 20 30 EFEDRM COc1cccc2c1CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826217858 1429906755 /nfs/dbraw/zinc/90/67/55/1429906755.db2.gz FRQUJYDRCFJFBK-YRNVUSSQSA-N -1 0 336.326 2.837 20 30 EFEDRM C=CCOCCCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819750597 1429977661 /nfs/dbraw/zinc/97/76/61/1429977661.db2.gz GVELVQRMWNKQPD-UHFFFAOYSA-N -1 0 343.431 2.839 20 30 EFEDRM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823958298 1430064941 /nfs/dbraw/zinc/06/49/41/1430064941.db2.gz IAZJFPIFNLDJME-UHFFFAOYSA-N -1 0 343.372 2.981 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826177058 1430068635 /nfs/dbraw/zinc/06/86/35/1430068635.db2.gz PXJQAVPZSWMNBN-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1-c1nnn[n-]1 ZINC000737718670 1430185793 /nfs/dbraw/zinc/18/57/93/1430185793.db2.gz LZOPFFXVEXBPOZ-UHFFFAOYSA-N -1 0 347.363 2.600 20 30 EFEDRM COc1ccc(O)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826210468 1430205587 /nfs/dbraw/zinc/20/55/87/1430205587.db2.gz SQQXGXPRWUVRKF-UTCJRWHESA-N -1 0 340.314 2.616 20 30 EFEDRM Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000822202256 1441530488 /nfs/dbraw/zinc/53/04/88/1441530488.db2.gz SJRSEJQBWCHWQF-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM COc1ccc(C=C2Oc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085169 1441587307 /nfs/dbraw/zinc/58/73/07/1441587307.db2.gz ZALOHGMHHOVSTH-CHHVJCJISA-N -1 0 338.298 2.631 20 30 EFEDRM Cc1ccc(C#N)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822224932 1441640449 /nfs/dbraw/zinc/64/04/49/1441640449.db2.gz GINBMPHVKXPZJB-UHFFFAOYSA-N -1 0 334.383 2.928 20 30 EFEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)c2ccccc2n1 ZINC000736817487 1441653140 /nfs/dbraw/zinc/65/31/40/1441653140.db2.gz BAVNKFIJNLOFNG-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824000127 1441693338 /nfs/dbraw/zinc/69/33/38/1441693338.db2.gz VROMMSCGKNAWCH-SOFGYWHQSA-N -1 0 339.380 2.783 20 30 EFEDRM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807782 1441697560 /nfs/dbraw/zinc/69/75/60/1441697560.db2.gz MQHLCTBOHJECFR-WAYWQWQTSA-N -1 0 348.288 2.522 20 30 EFEDRM COCCC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000736976887 1441722412 /nfs/dbraw/zinc/72/24/12/1441722412.db2.gz RGTUDUSNMMZAQY-UHFFFAOYSA-N -1 0 340.362 2.859 20 30 EFEDRM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC ZINC000826214906 1442063165 /nfs/dbraw/zinc/06/31/65/1442063165.db2.gz ANTQIKCVKHRPDW-VOTSOKGWSA-N -1 0 342.380 2.842 20 30 EFEDRM FC(F)(F)c1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000822729263 1442112556 /nfs/dbraw/zinc/11/25/56/1442112556.db2.gz YXLXGAIPUVMTBC-UHFFFAOYSA-N -1 0 339.306 2.788 20 30 EFEDRM CC(C)(C#N)CCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824058911 1442136239 /nfs/dbraw/zinc/13/62/39/1442136239.db2.gz IPYSRLRPIHXJDY-MRXNPFEDSA-N -1 0 340.431 2.570 20 30 EFEDRM C=CCN(CC=C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735419740 1442141240 /nfs/dbraw/zinc/14/12/40/1442141240.db2.gz ZJTRNSWVCKCXOK-UHFFFAOYSA-N -1 0 334.836 2.891 20 30 EFEDRM N#Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822846228 1442304653 /nfs/dbraw/zinc/30/46/53/1442304653.db2.gz QMPAYUZLDGFBTE-UHFFFAOYSA-N -1 0 329.726 2.538 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824086005 1442344590 /nfs/dbraw/zinc/34/45/90/1442344590.db2.gz IHYYXTKJDSGBFU-UHFFFAOYSA-N -1 0 346.822 2.922 20 30 EFEDRM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820322409 1442368151 /nfs/dbraw/zinc/36/81/51/1442368151.db2.gz SDFXSCRJBWAONL-XPSMFNQNSA-N -1 0 344.378 2.629 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](C#N)CCC#N ZINC000825609966 1443070981 /nfs/dbraw/zinc/07/09/81/1443070981.db2.gz VIHAZUDMGBJXDP-JTQLQIEISA-N -1 0 346.778 2.741 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC000825576407 1443093270 /nfs/dbraw/zinc/09/32/70/1443093270.db2.gz FXSCECYHCWODSJ-SNVBAGLBSA-N -1 0 335.799 2.518 20 30 EFEDRM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826210420 1443107832 /nfs/dbraw/zinc/10/78/32/1443107832.db2.gz QURBDLZPHRGYEG-UHFFFAOYSA-N -1 0 326.335 2.851 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cc2)CC1 ZINC000826379962 1443158989 /nfs/dbraw/zinc/15/89/89/1443158989.db2.gz IJKCNRNGMKZONZ-UHFFFAOYSA-N -1 0 348.341 2.813 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823963113 1443177128 /nfs/dbraw/zinc/17/71/28/1443177128.db2.gz VPFVXMQJDYNRGM-UHFFFAOYSA-N -1 0 343.372 2.981 20 30 EFEDRM CCOc1ccc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC000736642988 1443265254 /nfs/dbraw/zinc/26/52/54/1443265254.db2.gz BEAGONYVIFKHMS-GRSHGNNSSA-N -1 0 341.346 2.729 20 30 EFEDRM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826384913 1443286528 /nfs/dbraw/zinc/28/65/28/1443286528.db2.gz OXBRSTMUJBELTJ-UHFFFAOYSA-N -1 0 329.776 2.899 20 30 EFEDRM Cc1c(NN=Cc2cc(-c3nn[n-]n3)cs2)cccc1[N+](=O)[O-] ZINC000822123279 1443377633 /nfs/dbraw/zinc/37/76/33/1443377633.db2.gz YKYYLQLVHRPYRB-UHFFFAOYSA-N -1 0 329.345 2.591 20 30 EFEDRM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735561153 1443391950 /nfs/dbraw/zinc/39/19/50/1443391950.db2.gz WFCOWSDQTHRXOD-JTQLQIEISA-N -1 0 336.330 2.620 20 30 EFEDRM FC(F)(F)c1csc(N=NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822728942 1443496951 /nfs/dbraw/zinc/49/69/51/1443496951.db2.gz NMTVNNMTWGBBAU-UHFFFAOYSA-N -1 0 345.335 2.850 20 30 EFEDRM COc1c(C)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821698607 1443499812 /nfs/dbraw/zinc/49/98/12/1443499812.db2.gz QYFSJTRZPAVKDA-UHFFFAOYSA-N -1 0 336.399 2.616 20 30 EFEDRM CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736506226 1443519290 /nfs/dbraw/zinc/51/92/90/1443519290.db2.gz YUTFCLBIHOJJRE-UHFFFAOYSA-N -1 0 346.394 2.724 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736417792 1443560999 /nfs/dbraw/zinc/56/09/99/1443560999.db2.gz WFKXBSFQYNGQEW-MDZDMXLPSA-N -1 0 338.415 2.859 20 30 EFEDRM CCn1c(C)cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C ZINC000825782497 1443604682 /nfs/dbraw/zinc/60/46/82/1443604682.db2.gz FTFSWVGPFSDXPE-UHFFFAOYSA-N -1 0 344.810 2.799 20 30 EFEDRM C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819729742 1443645188 /nfs/dbraw/zinc/64/51/88/1443645188.db2.gz LVTNNFWHJKBXIL-LLVKDONJSA-N -1 0 330.392 2.740 20 30 EFEDRM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000819783346 1443655367 /nfs/dbraw/zinc/65/53/67/1443655367.db2.gz VMVXNUDWCHMDNQ-UHFFFAOYSA-N -1 0 336.384 2.708 20 30 EFEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735381345 1443700495 /nfs/dbraw/zinc/70/04/95/1443700495.db2.gz TWQQDLVUBCIIJO-CYBMUJFWSA-N -1 0 348.362 2.797 20 30 EFEDRM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1O ZINC000826177055 1443719994 /nfs/dbraw/zinc/71/99/94/1443719994.db2.gz PUHPKBAHUYJXPY-ZZXKWVIFSA-N -1 0 340.314 2.616 20 30 EFEDRM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C(C)(C)C)n1 ZINC000826359959 1443756763 /nfs/dbraw/zinc/75/67/63/1443756763.db2.gz UEKYJBYZDBYZLS-HJWRWDBZSA-N -1 0 336.399 2.794 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000737437433 1443839180 /nfs/dbraw/zinc/83/91/80/1443839180.db2.gz YSTXJBQWHLQBRD-HJWRWDBZSA-N -1 0 330.351 2.719 20 30 EFEDRM Cc1nnc(SCc2cc(F)ccc2C#N)c(-c2nn[n-]n2)c1C ZINC000826337350 1443922983 /nfs/dbraw/zinc/92/29/83/1443922983.db2.gz LLBRMJBBEKZGIR-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM Cc1nnc(SCc2cc(C#N)ccc2F)c(-c2nn[n-]n2)c1C ZINC000826337189 1443971500 /nfs/dbraw/zinc/97/15/00/1443971500.db2.gz FVOMSXAATDZZDX-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822801348 1444006030 /nfs/dbraw/zinc/00/60/30/1444006030.db2.gz HFEHQMISKPUULM-HZPDHXFCSA-N -1 0 331.383 2.538 20 30 EFEDRM C=C(C)[C@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000823874760 1446115261 /nfs/dbraw/zinc/11/52/61/1446115261.db2.gz YQFBAKMZUMPBNL-VIFPVBQESA-N -1 0 345.350 2.618 20 30 EFEDRM N#Cc1ccccc1OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822842315 1446127348 /nfs/dbraw/zinc/12/73/48/1446127348.db2.gz BMNQVXIVBHBPKC-UHFFFAOYSA-N -1 0 341.758 2.850 20 30 EFEDRM CC(=O)c1ccc(C#N)cc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824019650 1446178150 /nfs/dbraw/zinc/17/81/50/1446178150.db2.gz JPHRLXGBMCWRCV-UHFFFAOYSA-N -1 0 332.367 2.577 20 30 EFEDRM CC(=NNc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961869 1446243928 /nfs/dbraw/zinc/24/39/28/1446243928.db2.gz AUGMQLYWVUIXRQ-UHFFFAOYSA-N -1 0 336.334 2.718 20 30 EFEDRM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000822833502 1446284179 /nfs/dbraw/zinc/28/41/79/1446284179.db2.gz QRDWDIIOHYBJHO-UHFFFAOYSA-N -1 0 342.315 2.937 20 30 EFEDRM COc1ccc(C#N)cc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821769140 1446317362 /nfs/dbraw/zinc/31/73/62/1446317362.db2.gz DLJZHFDOXBINPJ-UHFFFAOYSA-N -1 0 341.758 2.979 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(F)cccc21 ZINC000823503763 1446420214 /nfs/dbraw/zinc/42/02/14/1446420214.db2.gz IPNQDJMFGMFKAO-SOFGYWHQSA-N -1 0 328.328 2.726 20 30 EFEDRM C=CCOc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819758748 1446448614 /nfs/dbraw/zinc/44/86/14/1446448614.db2.gz GUSUSRQMESAVLY-UHFFFAOYSA-N -1 0 340.299 2.527 20 30 EFEDRM C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873053 1446482018 /nfs/dbraw/zinc/48/20/18/1446482018.db2.gz GWTRJFIQFHIRGP-SWLSCSKDSA-N -1 0 330.388 2.842 20 30 EFEDRM N#C[C@@H](COC(=O)c1sccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379984 1446621970 /nfs/dbraw/zinc/62/19/70/1446621970.db2.gz JBRZDUQACYCLGM-VIFPVBQESA-N -1 0 345.409 2.529 20 30 EFEDRM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000823842192 1446742779 /nfs/dbraw/zinc/74/27/79/1446742779.db2.gz YUJJXPMISMQNOH-UHFFFAOYSA-N -1 0 328.420 2.945 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1F ZINC000823958869 1446796664 /nfs/dbraw/zinc/79/66/64/1446796664.db2.gz ZVZBZTCNKAPAGK-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822832624 1446801362 /nfs/dbraw/zinc/80/13/62/1446801362.db2.gz DBUPLVAOJBBCKU-UHFFFAOYSA-N -1 0 342.309 2.952 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2c1OCO2 ZINC000823915541 1446856442 /nfs/dbraw/zinc/85/64/42/1446856442.db2.gz ZQNWOOKCTCPQPS-UHFFFAOYSA-N -1 0 349.394 2.784 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826385014 1446861815 /nfs/dbraw/zinc/86/18/15/1446861815.db2.gz UBRBYSWZLZGKSH-GQCTYLIASA-N -1 0 325.328 2.835 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N)cc1Cl ZINC000823958375 1446932868 /nfs/dbraw/zinc/93/28/68/1446932868.db2.gz LTJJBLUUSJWUNN-UHFFFAOYSA-N -1 0 327.779 2.938 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(Cl)cc32)o1 ZINC000826323149 1446962710 /nfs/dbraw/zinc/96/27/10/1446962710.db2.gz SCZNYXRSMFKWGD-UHFFFAOYSA-N -1 0 329.751 2.579 20 30 EFEDRM FC(F)(F)c1cccnc1N=NCc1ccccc1-c1nn[n-]n1 ZINC000826369003 1447046646 /nfs/dbraw/zinc/04/66/46/1447046646.db2.gz JDSDEMGICMUZLD-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM C=CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894263 1447070578 /nfs/dbraw/zinc/07/05/78/1447070578.db2.gz LPKOIWXKGBMYSK-STQMWFEESA-N -1 0 330.388 2.922 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823893972 1447194016 /nfs/dbraw/zinc/19/40/16/1447194016.db2.gz CSTLEZMKMMMOAD-ZDUSSCGKSA-N -1 0 343.431 2.885 20 30 EFEDRM Cc1c(NC(=O)C=Cc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822068929 1447219087 /nfs/dbraw/zinc/21/90/87/1447219087.db2.gz WMODSUFBTRINKY-MDZDMXLPSA-N -1 0 330.351 2.699 20 30 EFEDRM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400937 1449154560 /nfs/dbraw/zinc/15/45/60/1449154560.db2.gz LJSVMXMPERPKMP-FNORWQNLSA-N -1 0 338.298 2.631 20 30 EFEDRM C=CCSCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735443063 1449274577 /nfs/dbraw/zinc/27/45/77/1449274577.db2.gz ODHKOXGIGNDWQQ-UHFFFAOYSA-N -1 0 330.339 2.612 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000819772733 1449303003 /nfs/dbraw/zinc/30/30/03/1449303003.db2.gz KPPJKHBZHRUYMN-UHFFFAOYSA-N -1 0 328.326 2.659 20 30 EFEDRM C=CCN(Cc1nc(C)cs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745925 1449307170 /nfs/dbraw/zinc/30/71/70/1449307170.db2.gz VDQDOIMCQUJWJA-UHFFFAOYSA-N -1 0 326.429 2.820 20 30 EFEDRM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000822825400 1449315651 /nfs/dbraw/zinc/31/56/51/1449315651.db2.gz DILGWNVTUHUAEZ-UHFFFAOYSA-N -1 0 327.351 2.899 20 30 EFEDRM FC(F)Oc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822737524 1449474241 /nfs/dbraw/zinc/47/42/41/1449474241.db2.gz YRQIKHPTPOGNCQ-UHFFFAOYSA-N -1 0 344.325 2.592 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1OC ZINC000825480723 1449582306 /nfs/dbraw/zinc/58/23/06/1449582306.db2.gz HWPBCRJDGVALCR-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000822177131 1449602597 /nfs/dbraw/zinc/60/25/97/1449602597.db2.gz USCAWIOGXYTPPB-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cc1cc(O)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC000737278022 1449606551 /nfs/dbraw/zinc/60/65/51/1449606551.db2.gz DLTGTPHMGBDGMI-UHFFFAOYSA-N -1 0 341.375 2.747 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821769432 1449655462 /nfs/dbraw/zinc/65/54/62/1449655462.db2.gz HLUNLGUMUROUNR-XQRVVYSFSA-N -1 0 342.380 2.842 20 30 EFEDRM CC(C)CN(CCCSCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820086779 1449689682 /nfs/dbraw/zinc/68/96/82/1449689682.db2.gz FJOFHJRYXBYZLQ-UHFFFAOYSA-N -1 0 330.461 2.976 20 30 EFEDRM COc1ccc([C@H](C)C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188277 1449706875 /nfs/dbraw/zinc/70/68/75/1449706875.db2.gz SADPHOUHYMLNAI-CYBMUJFWSA-N -1 0 336.399 2.754 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc2[nH]cccc1-2 ZINC000826400647 1449758287 /nfs/dbraw/zinc/75/82/87/1449758287.db2.gz DLYSRMPUXLQKJW-XQRVVYSFSA-N -1 0 334.314 2.778 20 30 EFEDRM N#CCCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826381392 1449789763 /nfs/dbraw/zinc/78/97/63/1449789763.db2.gz KAICHLWCDPFQCH-UHFFFAOYSA-N -1 0 332.367 2.567 20 30 EFEDRM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H]2CCCO[C@@H]21 ZINC000824784705 1449814813 /nfs/dbraw/zinc/81/48/13/1449814813.db2.gz ZOKSCVPQMGLAGC-RNCFNFMXSA-N -1 0 347.810 2.518 20 30 EFEDRM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400611 1449859663 /nfs/dbraw/zinc/85/96/63/1449859663.db2.gz CFSXUJJIQNJJFK-QPJJXVBHSA-N -1 0 339.286 2.810 20 30 EFEDRM N#CCCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737686839 1449867104 /nfs/dbraw/zinc/86/71/04/1449867104.db2.gz DZBXKOPMLOKGNF-UHFFFAOYSA-N -1 0 335.824 2.500 20 30 EFEDRM CC(C)Oc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820155745 1449896274 /nfs/dbraw/zinc/89/62/74/1449896274.db2.gz WBNOIAMDOHPXHE-UHFFFAOYSA-N -1 0 336.399 2.778 20 30 EFEDRM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCO2 ZINC000822921982 1449961123 /nfs/dbraw/zinc/96/11/23/1449961123.db2.gz BMGUEGCXLNMBKU-IHWYPQMZSA-N -1 0 326.337 2.553 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826384107 1450055542 /nfs/dbraw/zinc/05/55/42/1450055542.db2.gz HCJLXAUBCZFPBP-HYXAFXHYSA-N -1 0 325.328 2.835 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737705832 1450201564 /nfs/dbraw/zinc/20/15/64/1450201564.db2.gz RGYPBZXWQULCQH-VURMDHGXSA-N -1 0 349.325 2.634 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CC)CCC1 ZINC000819743840 1450369640 /nfs/dbraw/zinc/36/96/40/1450369640.db2.gz QWPNTXLUPDRFFQ-UHFFFAOYSA-N -1 0 325.416 2.962 20 30 EFEDRM COc1ccc(O)c(C=Nc2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000821839285 1450421684 /nfs/dbraw/zinc/42/16/84/1450421684.db2.gz SXTUDMXGLJGPBK-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402858 1450434276 /nfs/dbraw/zinc/43/42/76/1450434276.db2.gz DMOZZYSNPBYNKT-ALCCZGGFSA-N -1 0 334.314 2.550 20 30 EFEDRM O=C(OCC#Cc1ccccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826462720 1450434403 /nfs/dbraw/zinc/43/44/03/1450434403.db2.gz GQPQIPUVQAQFHT-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736392266 1450447290 /nfs/dbraw/zinc/44/72/90/1450447290.db2.gz PZXBUFWAXNFECJ-CYBMUJFWSA-N -1 0 337.412 2.959 20 30 EFEDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000049502211 712911152 /nfs/dbraw/zinc/91/11/52/712911152.db2.gz XWXWZHQKFCVHQR-MRVPVSSYSA-N -1 0 339.870 2.641 20 30 EFEDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515065 712915220 /nfs/dbraw/zinc/91/52/20/712915220.db2.gz SCJIJLVWOASHLA-UHFFFAOYSA-N -1 0 330.818 2.826 20 30 EFEDRM O=C(CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC000254914972 713076395 /nfs/dbraw/zinc/07/63/95/713076395.db2.gz WUCQIMKRXUJFKP-YVLHZVERSA-N -1 0 339.779 2.775 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(F)(F)F)c2)C(=O)O1 ZINC000254985863 713206938 /nfs/dbraw/zinc/20/69/38/713206938.db2.gz DTZXDBBHUPCCEM-GXMNPTEKSA-N -1 0 340.253 2.813 20 30 EFEDRM CN(C)C(=O)c1ccc(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000254986003 713206985 /nfs/dbraw/zinc/20/69/85/713206985.db2.gz OSEPLIDXSWUIOP-WQRHYEAKSA-N -1 0 327.340 2.621 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000804836702 713511659 /nfs/dbraw/zinc/51/16/59/713511659.db2.gz HNLWWSKBIXDAKV-UHFFFAOYSA-N -1 0 349.365 2.993 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1oc2c(cccc2C)c1C ZINC000121163272 714036298 /nfs/dbraw/zinc/03/62/98/714036298.db2.gz LDKAUYUYDDOQFN-HNNXBMFYSA-N -1 0 342.395 2.915 20 30 EFEDRM Cc1ccc(-c2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)co2)cc1 ZINC000255174243 714062567 /nfs/dbraw/zinc/06/25/67/714062567.db2.gz VKKMAUNBMXWGEM-QWPQOLDESA-N -1 0 337.331 2.878 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121172975 714080413 /nfs/dbraw/zinc/08/04/13/714080413.db2.gz ZVSUHIIVSSCSKB-QGZVFWFLSA-N -1 0 349.390 2.605 20 30 EFEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000048598289 714120219 /nfs/dbraw/zinc/12/02/19/714120219.db2.gz GXRNDWSMYPTVAB-CYBMUJFWSA-N -1 0 344.392 2.979 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050206647 714201219 /nfs/dbraw/zinc/20/12/19/714201219.db2.gz NENRMIGAPOQEEY-STQMWFEESA-N -1 0 328.821 2.741 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCC3)c1 ZINC000058185297 714348021 /nfs/dbraw/zinc/34/80/21/714348021.db2.gz FFCBFTCQNXSAFR-UHFFFAOYSA-N -1 0 337.422 2.939 20 30 EFEDRM NC(=O)c1cccc(CC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255290344 714520345 /nfs/dbraw/zinc/52/03/45/714520345.db2.gz ORGGOFDLMVTFKG-OCKHKDLRSA-N -1 0 347.758 2.714 20 30 EFEDRM N#Cc1ccc(C2=N/C(=C/c3cc(F)c([O-])c(F)c3)C(=O)O2)cc1 ZINC000175903510 714665324 /nfs/dbraw/zinc/66/53/24/714665324.db2.gz QGQRPDRVCFNRCV-VGOFMYFVSA-N -1 0 326.258 2.887 20 30 EFEDRM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1Br ZINC000255377505 714875216 /nfs/dbraw/zinc/87/52/16/714875216.db2.gz DIZRHGQAXXXNND-ZDTYVGOBSA-N -1 0 349.180 2.986 20 30 EFEDRM O=C(CCc1cc(F)ccc1F)[N-]S(=O)(=O)c1cccnc1 ZINC000066002929 718023083 /nfs/dbraw/zinc/02/30/83/718023083.db2.gz OUIQXBGBLCSOQL-UHFFFAOYSA-N -1 0 326.324 2.638 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000066003090 718023099 /nfs/dbraw/zinc/02/30/99/718023099.db2.gz CJISBTBSXNBAOD-UHFFFAOYSA-N -1 0 343.420 2.960 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)oc2c1c(C)ccc2C ZINC000066005383 718023596 /nfs/dbraw/zinc/02/35/96/718023596.db2.gz HPXCUZKREPOCMM-UHFFFAOYSA-N -1 0 347.396 2.785 20 30 EFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000088813358 715028739 /nfs/dbraw/zinc/02/87/39/715028739.db2.gz LQVJECLEDPOCCE-CQSZACIVSA-N -1 0 346.493 2.746 20 30 EFEDRM CO[N-]C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000134762870 715075663 /nfs/dbraw/zinc/07/56/63/715075663.db2.gz ONVDYVRPHLQYKM-AWEZNQCLSA-N -1 0 343.770 2.612 20 30 EFEDRM CO[N-]C(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000134762893 715075686 /nfs/dbraw/zinc/07/56/86/715075686.db2.gz ONVDYVRPHLQYKM-CQSZACIVSA-N -1 0 343.770 2.612 20 30 EFEDRM Cc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000255464325 715253762 /nfs/dbraw/zinc/25/37/62/715253762.db2.gz UALCIOBKCWSNIS-ZDTYVGOBSA-N -1 0 349.180 2.986 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cn3cncn3)cc2)c1 ZINC000255478067 715283592 /nfs/dbraw/zinc/28/35/92/715283592.db2.gz XHXKRNUHCXSBSE-NVMNQCDNSA-N -1 0 337.339 2.559 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000124588831 715453029 /nfs/dbraw/zinc/45/30/29/715453029.db2.gz XKFJJMULGFNROK-ZDUSSCGKSA-N -1 0 343.383 2.894 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124793831 715490576 /nfs/dbraw/zinc/49/05/76/715490576.db2.gz DFVZTOQAXJATNH-NSHDSACASA-N -1 0 329.381 2.656 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136619693 715800507 /nfs/dbraw/zinc/80/05/07/715800507.db2.gz LWAWMXAIPRABLC-KRWDZBQOSA-N -1 0 347.374 2.564 20 30 EFEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000051901390 715803630 /nfs/dbraw/zinc/80/36/30/715803630.db2.gz NOJRBARPVBRZSA-UHFFFAOYSA-N -1 0 327.793 2.569 20 30 EFEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1C ZINC000121949730 715834964 /nfs/dbraw/zinc/83/49/64/715834964.db2.gz AICVMLNHLGJHJO-MRXNPFEDSA-N -1 0 338.411 2.631 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000238002367 715946327 /nfs/dbraw/zinc/94/63/27/715946327.db2.gz PCSXAJAZUKGBBH-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000255567067 715973820 /nfs/dbraw/zinc/97/38/20/715973820.db2.gz OMQFLYLZHSPZJE-UVTDQMKNSA-N -1 0 340.404 2.608 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157785508 716341627 /nfs/dbraw/zinc/34/16/27/716341627.db2.gz LMEFRRFYOVTFMX-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161923466 716411625 /nfs/dbraw/zinc/41/16/25/716411625.db2.gz SFPXHOQYEFMYDN-LBPRGKRZSA-N -1 0 340.782 2.733 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC000125575833 716583448 /nfs/dbraw/zinc/58/34/48/716583448.db2.gz CMZDDUZUWMBOQM-AWEZNQCLSA-N -1 0 331.372 2.922 20 30 EFEDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052772095 716584547 /nfs/dbraw/zinc/58/45/47/716584547.db2.gz XSSBFTYJUWLXFY-UHFFFAOYSA-N -1 0 346.836 2.795 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052771764 716584832 /nfs/dbraw/zinc/58/48/32/716584832.db2.gz VMEDAXVSXVJLON-UWVGGRQHSA-N -1 0 328.356 2.652 20 30 EFEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052792922 716605776 /nfs/dbraw/zinc/60/57/76/716605776.db2.gz DGLXZSRITYFYPU-NSHDSACASA-N -1 0 346.836 2.713 20 30 EFEDRM Cc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)N2CCCCC2)c1C ZINC000052794030 716609385 /nfs/dbraw/zinc/60/93/85/716609385.db2.gz CDGLZQQTZAOUFP-UHFFFAOYSA-N -1 0 335.429 2.820 20 30 EFEDRM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794076 716609954 /nfs/dbraw/zinc/60/99/54/716609954.db2.gz FUKHQGIJOZEIRB-UHFFFAOYSA-N -1 0 349.412 2.685 20 30 EFEDRM COc1cc(CCC(=O)Nc2cc(C#N)ccc2[O-])cc(OC)c1 ZINC000176817083 716695230 /nfs/dbraw/zinc/69/52/30/716695230.db2.gz CWPLIVWOWLKFCK-UHFFFAOYSA-N -1 0 326.352 2.852 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000176822880 716715180 /nfs/dbraw/zinc/71/51/80/716715180.db2.gz GXBGSMHCLPVXMP-UHFFFAOYSA-N -1 0 338.323 2.999 20 30 EFEDRM Cc1cc2nc(C)c(CCC(=O)Nc3cc(C#N)ccc3[O-])c(C)n2n1 ZINC000176831184 716723352 /nfs/dbraw/zinc/72/33/52/716723352.db2.gz AAIQJPSVSICDTL-UHFFFAOYSA-N -1 0 349.394 2.803 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)COC3)c1 ZINC000050204954 716902285 /nfs/dbraw/zinc/90/22/85/716902285.db2.gz HRIWXYJVPRYJTF-UHFFFAOYSA-N -1 0 345.376 2.613 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000263233615 716977635 /nfs/dbraw/zinc/97/76/35/716977635.db2.gz CWDBSEDMYQCNFZ-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000178470616 716991765 /nfs/dbraw/zinc/99/17/65/716991765.db2.gz WAPPMROUMAQGQQ-LBPRGKRZSA-N -1 0 346.184 2.696 20 30 EFEDRM O=C(C1CCCC1)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000255615659 717141809 /nfs/dbraw/zinc/14/18/09/717141809.db2.gz IPSWUYMHJHSTQU-FNHQQPGVSA-N -1 0 331.372 2.510 20 30 EFEDRM COCCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000065763328 717346550 /nfs/dbraw/zinc/34/65/50/717346550.db2.gz ANEVLFNWCZINCT-UHFFFAOYSA-N -1 0 349.408 2.714 20 30 EFEDRM CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000065763397 717346820 /nfs/dbraw/zinc/34/68/20/717346820.db2.gz ADFCEQCPJKUZAL-UHFFFAOYSA-N -1 0 342.373 2.539 20 30 EFEDRM Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000125878605 717612690 /nfs/dbraw/zinc/61/26/90/717612690.db2.gz AFMRMBKOLCVYQF-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000179733447 717859627 /nfs/dbraw/zinc/85/96/27/717859627.db2.gz NITSOWFRURWSEW-UHFFFAOYSA-N -1 0 336.307 2.835 20 30 EFEDRM COc1ccccc1-c1nn(C)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179740960 717861675 /nfs/dbraw/zinc/86/16/75/717861675.db2.gz IUXZYQSHKBSVHI-UHFFFAOYSA-N -1 0 348.362 2.925 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000179795893 717885328 /nfs/dbraw/zinc/88/53/28/717885328.db2.gz QFZZAWIYMXWHCN-OAHLLOKOSA-N -1 0 329.400 2.640 20 30 EFEDRM C#CC[C@@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)C(C)C ZINC000177739772 718185649 /nfs/dbraw/zinc/18/56/49/718185649.db2.gz XYKSHDWEEKRRMP-OAHLLOKOSA-N -1 0 344.436 2.910 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892530584 718217356 /nfs/dbraw/zinc/21/73/56/718217356.db2.gz RVGMCCKHBJEFHY-ZDUSSCGKSA-N -1 0 346.456 2.515 20 30 EFEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000066519984 718241757 /nfs/dbraw/zinc/24/17/57/718241757.db2.gz WXOJUZWZNVAEKP-UHFFFAOYSA-N -1 0 340.445 2.841 20 30 EFEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000892550380 718271199 /nfs/dbraw/zinc/27/11/99/718271199.db2.gz HUPLHVBHNQLMDO-SECBINFHSA-N -1 0 335.820 2.913 20 30 EFEDRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000178550892 719149683 /nfs/dbraw/zinc/14/96/83/719149683.db2.gz HNUQZCNXHSSVTE-KBPBESRZSA-N -1 0 346.433 2.537 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000067001133 719163726 /nfs/dbraw/zinc/16/37/26/719163726.db2.gz KOTBDQDQJNSUKB-MOKVOYLWSA-N -1 0 344.477 2.500 20 30 EFEDRM Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000126018153 719178545 /nfs/dbraw/zinc/17/85/45/719178545.db2.gz ZLVXALXDEOCKRP-OAHLLOKOSA-N -1 0 336.819 2.902 20 30 EFEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000067004249 719194149 /nfs/dbraw/zinc/19/41/49/719194149.db2.gz NBDKFQXTJHFXLE-QMMMGPOBSA-N -1 0 332.834 2.856 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000892868207 719246532 /nfs/dbraw/zinc/24/65/32/719246532.db2.gz IDRNRGSPEGGHOU-UHFFFAOYSA-N -1 0 348.346 2.652 20 30 EFEDRM C#CCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909324430 719399484 /nfs/dbraw/zinc/39/94/84/719399484.db2.gz ZKRWIAVSWHPSEM-OAHLLOKOSA-N -1 0 338.201 2.669 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1Cl)OCC ZINC000893698504 719493999 /nfs/dbraw/zinc/49/39/99/719493999.db2.gz QJWKRXWRLSXLNI-ZDUSSCGKSA-N -1 0 345.848 2.825 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000893054938 719546077 /nfs/dbraw/zinc/54/60/77/719546077.db2.gz KMGKKVIWAVNKFH-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000323407714 719612528 /nfs/dbraw/zinc/61/25/28/719612528.db2.gz PDYAQNFHBKCUKA-UHFFFAOYSA-N -1 0 341.429 2.808 20 30 EFEDRM COc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1Cl ZINC000122699268 719685789 /nfs/dbraw/zinc/68/57/89/719685789.db2.gz SJCPCPDTNKFTSQ-LBPRGKRZSA-N -1 0 345.786 2.606 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2nnc(C)o2)c1 ZINC000162298059 719701433 /nfs/dbraw/zinc/70/14/33/719701433.db2.gz YAXVRCGMIOETOQ-OAHLLOKOSA-N -1 0 340.383 2.674 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000261601353 719714102 /nfs/dbraw/zinc/71/41/02/719714102.db2.gz BHEPOUWPHUXRBH-UKRRQHHQSA-N -1 0 330.384 2.571 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000122805002 719796196 /nfs/dbraw/zinc/79/61/96/719796196.db2.gz UNNOYDAOTXMZPT-OAHLLOKOSA-N -1 0 346.346 2.813 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000178337393 719927852 /nfs/dbraw/zinc/92/78/52/719927852.db2.gz KJICQYXGJNHLCG-UHFFFAOYSA-N -1 0 329.805 2.704 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122901570 719989407 /nfs/dbraw/zinc/98/94/07/719989407.db2.gz GOWSXYSASRAREL-MWLCHTKSSA-N -1 0 349.749 2.572 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)sc2cccc(F)c12 ZINC000181300646 720019223 /nfs/dbraw/zinc/01/92/23/720019223.db2.gz RXJLESWFBIUTQD-UHFFFAOYSA-N -1 0 340.401 2.712 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cnn(C3CCCC3)c2)CC1 ZINC000893297743 720499814 /nfs/dbraw/zinc/49/98/14/720499814.db2.gz NEYFXVBWJRQUHO-UHFFFAOYSA-N -1 0 337.445 2.550 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(Br)ccc1Cl ZINC000092462954 720616346 /nfs/dbraw/zinc/61/63/46/720616346.db2.gz PGKRKBKKMHJDBC-UHFFFAOYSA-N -1 0 332.581 2.815 20 30 EFEDRM CC(C)(C)C1=CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 ZINC000330140128 720832549 /nfs/dbraw/zinc/83/25/49/720832549.db2.gz WUFOWELJWGZNMD-UHFFFAOYSA-N -1 0 331.342 2.916 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123839743 720865477 /nfs/dbraw/zinc/86/54/77/720865477.db2.gz QTRYNVMCZZVVOP-CQSZACIVSA-N -1 0 329.787 2.983 20 30 EFEDRM COc1nc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc2ccccc21 ZINC000086054624 720920818 /nfs/dbraw/zinc/92/08/18/720920818.db2.gz ULEKDWYSHRSKGX-UHFFFAOYSA-N -1 0 334.397 2.820 20 30 EFEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1 ZINC000126272202 721007391 /nfs/dbraw/zinc/00/73/91/721007391.db2.gz FSEQCCFDJTYXDC-LBPRGKRZSA-N -1 0 343.408 2.666 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2c1CC[C@H](C)C2 ZINC000124204181 721413455 /nfs/dbraw/zinc/41/34/55/721413455.db2.gz MRFPKXREEJZVAV-GXTWGEPZSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccoc1 ZINC000917506909 728751440 /nfs/dbraw/zinc/75/14/40/728751440.db2.gz JUOQLVPMXFHDGG-GFCCVEGCSA-N -1 0 328.324 2.607 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000140275065 722672924 /nfs/dbraw/zinc/67/29/24/722672924.db2.gz JRMPGTRQRNAORQ-CYBMUJFWSA-N -1 0 327.409 2.653 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)CSc2ccccc2Cl)cn1 ZINC000048647214 722688591 /nfs/dbraw/zinc/68/85/91/722688591.db2.gz KHYVXQJLOBPIAR-UHFFFAOYSA-N -1 0 345.833 2.511 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3cccs3)cc2F)c1=O ZINC000917534442 728756723 /nfs/dbraw/zinc/75/67/23/728756723.db2.gz IWSDCXZAEZMNSF-UHFFFAOYSA-N -1 0 346.412 2.985 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c1=O ZINC000917568361 728758427 /nfs/dbraw/zinc/75/84/27/728758427.db2.gz XDMLMXYSGURUJJ-UHFFFAOYSA-N -1 0 345.366 2.671 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OCC ZINC000129388535 722795018 /nfs/dbraw/zinc/79/50/18/722795018.db2.gz XNPXMIAEIQJEGK-HNNXBMFYSA-N -1 0 344.411 2.865 20 30 EFEDRM O=C([O-])c1ccc(Br)c(C=NN[C@H]2CCSC2)c1 ZINC000901239575 728794607 /nfs/dbraw/zinc/79/46/07/728794607.db2.gz SBSFVUFZDLIWNN-JTQLQIEISA-N -1 0 329.219 2.576 20 30 EFEDRM C[C@H](CCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000178953178 723197143 /nfs/dbraw/zinc/19/71/43/723197143.db2.gz FCCNDWNXZPHDBL-CQSZACIVSA-N -1 0 342.420 2.947 20 30 EFEDRM Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000126830597 723225280 /nfs/dbraw/zinc/22/52/80/723225280.db2.gz COXRTHDCTNKIKB-UHFFFAOYSA-N -1 0 348.811 2.780 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000181260078 728803588 /nfs/dbraw/zinc/80/35/88/728803588.db2.gz HDIGBEIKKXMAKI-UHFFFAOYSA-N -1 0 344.392 2.842 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154565324 728804048 /nfs/dbraw/zinc/80/40/48/728804048.db2.gz MIRPJWBRIHAIDX-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1C ZINC000126913344 723460690 /nfs/dbraw/zinc/46/06/90/723460690.db2.gz OZUWRCOHMYLBMB-QGZVFWFLSA-N -1 0 349.390 2.592 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000181306597 728849476 /nfs/dbraw/zinc/84/94/76/728849476.db2.gz RURQOAWXOAWEEZ-UHFFFAOYSA-N -1 0 325.430 2.882 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)ccc2F)n1 ZINC000727215281 723861842 /nfs/dbraw/zinc/86/18/42/723861842.db2.gz PVAMQTOPLWYXGH-GFCCVEGCSA-N -1 0 332.356 2.932 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2onc(CCC)c21 ZINC000909515146 724037082 /nfs/dbraw/zinc/03/70/82/724037082.db2.gz QRENRNGIPSZQDI-UHFFFAOYSA-N -1 0 343.383 2.766 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccnc(Cl)c2)n1 ZINC000025975058 724126267 /nfs/dbraw/zinc/12/62/67/724126267.db2.gz PMPYWKCJMDXXTQ-JTQLQIEISA-N -1 0 335.772 2.533 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNCCCOc1ccccc1 ZINC000729147645 725460276 /nfs/dbraw/zinc/46/02/76/725460276.db2.gz IIYAIYVIMDDZDI-UHFFFAOYSA-N -1 0 328.368 2.543 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNCCCOc1ccccc1)O2 ZINC000729147917 725461692 /nfs/dbraw/zinc/46/16/92/725461692.db2.gz OGSRSGYRRMHLAH-UHFFFAOYSA-N -1 0 326.352 2.648 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000130058932 725470560 /nfs/dbraw/zinc/47/05/60/725470560.db2.gz SPXOHHBDTMQDAV-ZDUSSCGKSA-N -1 0 325.430 2.596 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000151628226 725791198 /nfs/dbraw/zinc/79/11/98/725791198.db2.gz XPGANGGYESICQL-UHFFFAOYSA-N -1 0 339.482 2.993 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 ZINC000054427061 725874555 /nfs/dbraw/zinc/87/45/55/725874555.db2.gz NCMGXWKXRKMZQO-ZHACJKMWSA-N -1 0 333.413 2.786 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000914355645 726256321 /nfs/dbraw/zinc/25/63/21/726256321.db2.gz OJQLGMIXABXEEN-NSHDSACASA-N -1 0 326.384 2.967 20 30 EFEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000067600563 726306329 /nfs/dbraw/zinc/30/63/29/726306329.db2.gz TTXXTIPLPDVKNM-CYBMUJFWSA-N -1 0 326.443 2.981 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000929034592 726337624 /nfs/dbraw/zinc/33/76/24/726337624.db2.gz UMIFPJKHVAAOTN-UWVGGRQHSA-N -1 0 346.836 2.808 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccs1 ZINC000054488193 726350195 /nfs/dbraw/zinc/35/01/95/726350195.db2.gz BGBMEFGYXHRNRQ-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491954 726355435 /nfs/dbraw/zinc/35/54/35/726355435.db2.gz WFDWFPGLYZHYGY-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC=CCC1 ZINC000054492359 726358595 /nfs/dbraw/zinc/35/85/95/726358595.db2.gz ZMHGXCKVMYPRFU-VIFPVBQESA-N -1 0 328.321 2.735 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000906858111 726813451 /nfs/dbraw/zinc/81/34/51/726813451.db2.gz FEOOKMYOOGWHMC-UHFFFAOYSA-N -1 0 333.768 2.518 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCOCC2)nc1)c1nc2ccccc2o1 ZINC000915102876 726869474 /nfs/dbraw/zinc/86/94/74/726869474.db2.gz JXUQTWODFHBIPG-AWEZNQCLSA-N -1 0 348.362 2.549 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)(C)C)n1 ZINC000193367447 726873760 /nfs/dbraw/zinc/87/37/60/726873760.db2.gz OIDQXOJPSLDEMI-AWEZNQCLSA-N -1 0 332.448 2.966 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193383798 726883584 /nfs/dbraw/zinc/88/35/84/726883584.db2.gz ONACSWFYMAIMFP-UHFFFAOYSA-N -1 0 328.390 2.760 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000731769060 726931674 /nfs/dbraw/zinc/93/16/74/726931674.db2.gz WPWWWDCTEGEHEX-AWEZNQCLSA-N -1 0 342.362 2.942 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OCC(C)C ZINC000193482671 726947679 /nfs/dbraw/zinc/94/76/79/726947679.db2.gz RVOCMKZDISTCTN-AWEZNQCLSA-N -1 0 332.400 2.577 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000907609366 726970454 /nfs/dbraw/zinc/97/04/54/726970454.db2.gz BOTTZVIIBCYLAT-DOMZBBRYSA-N -1 0 335.400 2.938 20 30 EFEDRM C=C[C@@H](CC)CC(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000907638873 726979806 /nfs/dbraw/zinc/97/98/06/726979806.db2.gz FPLLPFSIVSXFES-ZDUSSCGKSA-N -1 0 327.384 2.789 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)C(=O)[O-] ZINC000907781085 727016157 /nfs/dbraw/zinc/01/61/57/727016157.db2.gz NVEZDZAFNTUGGZ-CQSZACIVSA-N -1 0 345.374 2.766 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC000908156124 727105135 /nfs/dbraw/zinc/10/51/35/727105135.db2.gz FHYMHIDZCZJFFT-CSLYMUCUSA-N -1 0 344.436 2.611 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000732496398 727125695 /nfs/dbraw/zinc/12/56/95/727125695.db2.gz UJSSMYAWTPMJOY-KRWDZBQOSA-N -1 0 333.347 2.613 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(CC(F)(F)F)C2CC2)cc1C#N ZINC000908268575 727146343 /nfs/dbraw/zinc/14/63/43/727146343.db2.gz CFMUEMCWKNGVSV-UHFFFAOYSA-N -1 0 331.319 2.548 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)c(F)c1 ZINC000908391786 727177325 /nfs/dbraw/zinc/17/73/25/727177325.db2.gz DRUCGWYKHWLEOM-OAHLLOKOSA-N -1 0 349.362 2.661 20 30 EFEDRM C=C[C@H](CC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C)c1ccccc1 ZINC000908429604 727184750 /nfs/dbraw/zinc/18/47/50/727184750.db2.gz BVDIVZARCGXZNW-ZIAGYGMSSA-N -1 0 339.395 2.672 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)OCC ZINC000908594153 727221581 /nfs/dbraw/zinc/22/15/81/727221581.db2.gz QGGTXWVZWCNVQH-HZPDHXFCSA-N -1 0 335.400 2.699 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CC3(C)C)cc2[n-]c1=S ZINC000732797273 727232395 /nfs/dbraw/zinc/23/23/95/727232395.db2.gz QMJMSTAQDOGJLI-LBPRGKRZSA-N -1 0 343.452 2.647 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(OCCC)c(OCCC)c1)C(=O)[O-] ZINC000908621105 727232650 /nfs/dbraw/zinc/23/26/50/727232650.db2.gz QLDKFZNNBDOYHD-AWEZNQCLSA-N -1 0 348.399 2.862 20 30 EFEDRM C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908646767 727234144 /nfs/dbraw/zinc/23/41/44/727234144.db2.gz QPGNUBDSVMMKNW-CYBMUJFWSA-N -1 0 342.317 2.934 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1nc(CC(F)(F)F)cs1)C(=O)[O-] ZINC000908686410 727241912 /nfs/dbraw/zinc/24/19/12/727241912.db2.gz ROHFQSCJDPDXSY-MRVPVSSYSA-N -1 0 337.323 2.789 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CC)C(=O)[O-])cc1 ZINC000908745104 727254160 /nfs/dbraw/zinc/25/41/60/727254160.db2.gz XZEACKACFNUMHL-HNNXBMFYSA-N -1 0 330.384 2.550 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908799609 727264605 /nfs/dbraw/zinc/26/46/05/727264605.db2.gz RPHGWPYNJSFPGH-UHFFFAOYSA-N -1 0 329.396 2.903 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000908846855 727274701 /nfs/dbraw/zinc/27/47/01/727274701.db2.gz DYZNEMRAACXBBK-MRXNPFEDSA-N -1 0 331.416 2.505 20 30 EFEDRM N#CCNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000730215784 727286897 /nfs/dbraw/zinc/28/68/97/727286897.db2.gz JUIVLPKJLBUSEM-UHFFFAOYSA-N -1 0 335.772 2.613 20 30 EFEDRM C#CCCCNC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909026784 727306323 /nfs/dbraw/zinc/30/63/23/727306323.db2.gz CDCZHJCWPGLDLB-ZDUSSCGKSA-N -1 0 343.210 2.702 20 30 EFEDRM C#CCCCNC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909026783 727306485 /nfs/dbraw/zinc/30/64/85/727306485.db2.gz CDCZHJCWPGLDLB-CYBMUJFWSA-N -1 0 343.210 2.702 20 30 EFEDRM C#CCCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909027305 727306671 /nfs/dbraw/zinc/30/66/71/727306671.db2.gz HNOQCAOPIVRBSR-LBPRGKRZSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000909117246 727325285 /nfs/dbraw/zinc/32/52/85/727325285.db2.gz LXSNAIFKXJIEHN-QGZVFWFLSA-N -1 0 342.395 2.857 20 30 EFEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129262475 727338126 /nfs/dbraw/zinc/33/81/26/727338126.db2.gz QJOLNHGUTYKLDF-ZDUSSCGKSA-N -1 0 343.383 2.859 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000129266676 727350066 /nfs/dbraw/zinc/35/00/66/727350066.db2.gz NZBRTBJUVZXOAN-LBPRGKRZSA-N -1 0 329.356 2.550 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000909238071 727350855 /nfs/dbraw/zinc/35/08/55/727350855.db2.gz NGJWWKHMERYCGL-QFBILLFUSA-N -1 0 333.428 2.583 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])OCC ZINC000909237842 727350882 /nfs/dbraw/zinc/35/08/82/727350882.db2.gz JBQWZUFADJYYOE-GDBMZVCRSA-N -1 0 337.391 2.557 20 30 EFEDRM C#CCCCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000909254700 727353273 /nfs/dbraw/zinc/35/32/73/727353273.db2.gz KEFWBNHUNNXINE-MRXNPFEDSA-N -1 0 342.395 2.508 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000909716700 727368053 /nfs/dbraw/zinc/36/80/53/727368053.db2.gz BPUHCEBXTQLIAK-SJORKVTESA-N -1 0 348.418 2.716 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccn2)c1C(C)C)C(=O)[O-] ZINC000909718404 727368265 /nfs/dbraw/zinc/36/82/65/727368265.db2.gz NUYSDXMMBGODRL-AWEZNQCLSA-N -1 0 342.399 2.540 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000909767794 727373219 /nfs/dbraw/zinc/37/32/19/727373219.db2.gz QMVXKNBJWUQTAI-GFCCVEGCSA-N -1 0 338.429 2.576 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC000909770315 727373575 /nfs/dbraw/zinc/37/35/75/727373575.db2.gz FDXRWGBJRZGENH-YOEHRIQHSA-N -1 0 348.443 2.837 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC000909771274 727373688 /nfs/dbraw/zinc/37/36/88/727373688.db2.gz LXLLKXLRZUZISD-KRWDZBQOSA-N -1 0 346.427 2.817 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](c1cccnc1)C1CCCCC1)C(=O)[O-] ZINC000909771220 727373706 /nfs/dbraw/zinc/37/37/06/727373706.db2.gz LEFDYVYCGRYEJH-IAGOWNOFSA-N -1 0 346.427 2.518 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)OCC ZINC000909843764 727388997 /nfs/dbraw/zinc/38/89/97/727388997.db2.gz BCNINVSMGLAPNG-LPHOPBHVSA-N -1 0 333.428 2.907 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)OCC ZINC000909843766 727389007 /nfs/dbraw/zinc/38/90/07/727389007.db2.gz BCNINVSMGLAPNG-VQIMIIECSA-N -1 0 333.428 2.907 20 30 EFEDRM C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909955535 727401279 /nfs/dbraw/zinc/40/12/79/727401279.db2.gz RVXOJZVZKMLPTE-CQSZACIVSA-N -1 0 338.201 2.885 20 30 EFEDRM C#CC[C@@H](NC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000910053394 727406067 /nfs/dbraw/zinc/40/60/67/727406067.db2.gz SPMQQFBJSJVTGP-CQSZACIVSA-N -1 0 329.352 2.564 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910052652 727406076 /nfs/dbraw/zinc/40/60/76/727406076.db2.gz DUQKSFIQRBMQIM-GWCFXTLKSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000910053031 727406088 /nfs/dbraw/zinc/40/60/88/727406088.db2.gz MVBSXOVTRZLYAF-RDTXWAMCSA-N -1 0 338.407 2.921 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000910054069 727406141 /nfs/dbraw/zinc/40/61/41/727406141.db2.gz IPNPQHCCMKQELY-INIZCTEOSA-N -1 0 331.412 2.592 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055187 727406145 /nfs/dbraw/zinc/40/61/45/727406145.db2.gz ZCLOYECIQPOLCG-LBPRGKRZSA-N -1 0 327.302 2.576 20 30 EFEDRM C#CC[C@H](NC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1)C(=O)[O-] ZINC000910054731 727406153 /nfs/dbraw/zinc/40/61/53/727406153.db2.gz SCZCNWOGQZCLMP-KRWDZBQOSA-N -1 0 343.423 2.736 20 30 EFEDRM C#CC[C@@H](NC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1)C(=O)[O-] ZINC000910054733 727406154 /nfs/dbraw/zinc/40/61/54/727406154.db2.gz SCZCNWOGQZCLMP-QGZVFWFLSA-N -1 0 343.423 2.736 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910055125 727406160 /nfs/dbraw/zinc/40/61/60/727406160.db2.gz XUOCCUSHGZCRHA-GXFFZTMASA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910054480 727406172 /nfs/dbraw/zinc/40/61/72/727406172.db2.gz PDOVTGQWZSTSPN-XPSMFNQNSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910036582 727406703 /nfs/dbraw/zinc/40/67/03/727406703.db2.gz JWRHUTIHYSHPDX-YJBOKZPZSA-N -1 0 343.423 2.522 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910048057 727408108 /nfs/dbraw/zinc/40/81/08/727408108.db2.gz CKRNVFPMURAOSA-ZDUSSCGKSA-N -1 0 341.329 2.867 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)OCC ZINC000910102032 727412398 /nfs/dbraw/zinc/41/23/98/727412398.db2.gz JVVCVSHDPGDGIK-QWHCGFSZSA-N -1 0 338.429 2.876 20 30 EFEDRM C=CCSc1ccccc1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC000910119512 727415195 /nfs/dbraw/zinc/41/51/95/727415195.db2.gz AMYUJVBBGXKXNV-UHFFFAOYSA-N -1 0 349.452 2.966 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910232203 727420562 /nfs/dbraw/zinc/42/05/62/727420562.db2.gz HESKHTIGVZAJOZ-JVLSTEMRSA-N -1 0 337.347 2.597 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC000910212014 727421635 /nfs/dbraw/zinc/42/16/35/727421635.db2.gz LORSFUUOMMNZLK-UHFFFAOYSA-N -1 0 340.404 2.842 20 30 EFEDRM C=CCNS(=O)(=O)c1ccccc1S[C@@H](CCCC)C(=O)[O-] ZINC000910278138 727426480 /nfs/dbraw/zinc/42/64/80/727426480.db2.gz JGAUEVDGBFOCDF-ZDUSSCGKSA-N -1 0 343.470 2.886 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000910292071 727430755 /nfs/dbraw/zinc/43/07/55/727430755.db2.gz BUNITXNYNCVYCQ-CQSZACIVSA-N -1 0 335.400 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000910291586 727430811 /nfs/dbraw/zinc/43/08/11/727430811.db2.gz JYCHRKLLJGDRMU-GFCCVEGCSA-N -1 0 331.290 2.777 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910293530 727430917 /nfs/dbraw/zinc/43/09/17/727430917.db2.gz JRGMQEWMGNWZMW-NEPJUHHUSA-N -1 0 332.183 2.562 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1cccc(Br)c1C)C(=O)[O-] ZINC000910293700 727430919 /nfs/dbraw/zinc/43/09/19/727430919.db2.gz KQNQESIWUIGAQU-CYBMUJFWSA-N -1 0 340.217 2.836 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910293533 727430995 /nfs/dbraw/zinc/43/09/95/727430995.db2.gz JRGMQEWMGNWZMW-VXGBXAGGSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1 ZINC000910515753 727447053 /nfs/dbraw/zinc/44/70/53/727447053.db2.gz GQAGGOFQLKMSMF-MRXNPFEDSA-N -1 0 327.384 2.795 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])OCC ZINC000910579204 727451567 /nfs/dbraw/zinc/45/15/67/727451567.db2.gz IPUPGRAAROOGHZ-WBVHZDCISA-N -1 0 345.395 2.916 20 30 EFEDRM CCc1csc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n1 ZINC000910718281 727461114 /nfs/dbraw/zinc/46/11/14/727461114.db2.gz LLSCFPVDNOGPCX-MRVPVSSYSA-N -1 0 348.453 2.891 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)C(=O)[O-] ZINC000910913632 727471646 /nfs/dbraw/zinc/47/16/46/727471646.db2.gz ZPOZXUHMOQFBMP-AWEZNQCLSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC000910913918 727471693 /nfs/dbraw/zinc/47/16/93/727471693.db2.gz GCICZYVGYKRRGC-INIZCTEOSA-N -1 0 345.374 2.859 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(-c2ccccn2)s1)C(=O)[O-] ZINC000910915966 727471867 /nfs/dbraw/zinc/47/18/67/727471867.db2.gz RVLYCPYVBVSCNC-GFCCVEGCSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000910918205 727472016 /nfs/dbraw/zinc/47/20/16/727472016.db2.gz IPZABSZFPVOCCQ-KRWDZBQOSA-N -1 0 341.411 2.731 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000910918206 727472083 /nfs/dbraw/zinc/47/20/83/727472083.db2.gz IPZABSZFPVOCCQ-QGZVFWFLSA-N -1 0 341.411 2.731 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C)n(C2CCOCC2)c1C)C(=O)[O-] ZINC000910922379 727472222 /nfs/dbraw/zinc/47/22/22/727472222.db2.gz JCFLZHSYUUKOOV-KRWDZBQOSA-N -1 0 348.443 2.996 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C[C@@H]1CCc2sccc2C1=O)C(=O)[O-] ZINC000910923855 727472247 /nfs/dbraw/zinc/47/22/47/727472247.db2.gz WGVHFXSIENOCBB-WCQYABFASA-N -1 0 335.425 2.809 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1[nH]c(=O)c2ccccc2c1C)C(=O)[O-] ZINC000910924885 727472357 /nfs/dbraw/zinc/47/23/57/727472357.db2.gz GFPQWDBHMQTPRE-AWEZNQCLSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc2cc(OC)ccc2c1)C(=O)[O-] ZINC000910924297 727472382 /nfs/dbraw/zinc/47/23/82/727472382.db2.gz ZFYWMAWGHLGGCP-OAHLLOKOSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)C(=O)[O-] ZINC000910925706 727472404 /nfs/dbraw/zinc/47/24/04/727472404.db2.gz NSXJPHNJAIUORC-HNNXBMFYSA-N -1 0 333.432 2.956 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c([nH]1)c(F)ccc2OC)C(=O)[O-] ZINC000910926408 727472432 /nfs/dbraw/zinc/47/24/32/727472432.db2.gz SKIGDEHMZNDJCI-LBPRGKRZSA-N -1 0 334.347 2.855 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)oc1C)C(=O)[O-] ZINC000910927163 727472585 /nfs/dbraw/zinc/47/25/85/727472585.db2.gz XRYQDIITBXDCTE-SNVBAGLBSA-N -1 0 330.178 2.890 20 30 EFEDRM C=CCCOCC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911063916 727493266 /nfs/dbraw/zinc/49/32/66/727493266.db2.gz PNCNKAFQNAZTOG-ZDUSSCGKSA-N -1 0 331.290 2.540 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911068090 727493965 /nfs/dbraw/zinc/49/39/65/727493965.db2.gz WXZHCHYFSIJCQE-GWCFXTLKSA-N -1 0 345.317 2.929 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000911745062 727592053 /nfs/dbraw/zinc/59/20/53/727592053.db2.gz AKRYHOCEHMCBIA-UHFFFAOYSA-N -1 0 331.372 2.974 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000911745482 727592057 /nfs/dbraw/zinc/59/20/57/727592057.db2.gz CNAJYUWXGXUEPD-UHFFFAOYSA-N -1 0 342.399 2.776 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(C(=O)[O-])n1 ZINC000911749383 727593121 /nfs/dbraw/zinc/59/31/21/727593121.db2.gz ZNZXMWMELLVNCX-UHFFFAOYSA-N -1 0 348.428 2.837 20 30 EFEDRM Cc1cc(C)n(N=Cc2cccc(Br)c2[O-])c(=O)c1C#N ZINC000915956767 727642519 /nfs/dbraw/zinc/64/25/19/727642519.db2.gz ZZBUKTGSJWDAOB-UHFFFAOYSA-N -1 0 346.184 2.687 20 30 EFEDRM Cc1ccc(NC(=S)NN=C2Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000915937116 727643127 /nfs/dbraw/zinc/64/31/27/727643127.db2.gz JJQFRSIYXDTPAY-UHFFFAOYSA-N -1 0 341.392 2.884 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1ccc(CC(=O)[O-])cc1 ZINC000915942827 727643438 /nfs/dbraw/zinc/64/34/38/727643438.db2.gz KBPUMDWDJSKWBF-UHFFFAOYSA-N -1 0 333.457 2.835 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1ccc(CC(=O)[O-])cc1 ZINC000915960876 727645373 /nfs/dbraw/zinc/64/53/73/727645373.db2.gz UVFWIJBZUVSHLH-UHFFFAOYSA-N -1 0 346.408 2.553 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(OC)c1O ZINC000915989639 727646035 /nfs/dbraw/zinc/64/60/35/727646035.db2.gz BDRFQASALXJMKQ-VMPITWQZSA-N -1 0 342.347 2.933 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)ccc1O ZINC000916157272 727661751 /nfs/dbraw/zinc/66/17/51/727661751.db2.gz PWEIJZXPJNLUOU-ALCCZGGFSA-N -1 0 328.320 2.760 20 30 EFEDRM Cc1nnc(N=NC=C(Br)Cc2ccccc2)[n-]c1=O ZINC000916282999 727671414 /nfs/dbraw/zinc/67/14/14/727671414.db2.gz XGIVUKDBMPNMRF-TZSGXZTKSA-N -1 0 334.177 2.719 20 30 EFEDRM CCCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)c(OCCC)c1 ZINC000916282794 727673565 /nfs/dbraw/zinc/67/35/65/727673565.db2.gz QLSINDFHXRQWIR-UHFFFAOYSA-N -1 0 345.403 2.909 20 30 EFEDRM CCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1OC ZINC000916305593 727675385 /nfs/dbraw/zinc/67/53/85/727675385.db2.gz XDEOLOFVMBKKFS-UHFFFAOYSA-N -1 0 346.334 2.875 20 30 EFEDRM CCOc1ccc(O)c(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1 ZINC000916305034 727675459 /nfs/dbraw/zinc/67/54/59/727675459.db2.gz KFICOKBHYZRFCU-UHFFFAOYSA-N -1 0 332.307 2.572 20 30 EFEDRM Cc1csc2nc(C)c(C=Nn3c(=S)[n-]nc3C(F)(F)F)n12 ZINC000916305326 727675509 /nfs/dbraw/zinc/67/55/09/727675509.db2.gz ODAGLEVUXZPNJG-UHFFFAOYSA-N -1 0 346.363 2.794 20 30 EFEDRM Cc1sc2ncn(N=Cc3cc([N+](=O)[O-])ccc3[O-])c(=O)c2c1C ZINC000916311020 727676029 /nfs/dbraw/zinc/67/60/29/727676029.db2.gz WKDANJHJIGHDOG-UHFFFAOYSA-N -1 0 344.352 2.571 20 30 EFEDRM CC(=NN1CCN(C)CC1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000916606396 727700770 /nfs/dbraw/zinc/70/07/70/727700770.db2.gz LYWASXLSGBSQMN-UHFFFAOYSA-N -1 0 327.384 2.616 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000916771192 727736542 /nfs/dbraw/zinc/73/65/42/727736542.db2.gz YKLSIBXAXXMUCQ-UHFFFAOYSA-N -1 0 343.445 2.869 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC)c([N+](=O)[O-])c1 ZINC000916875575 727740526 /nfs/dbraw/zinc/74/05/26/727740526.db2.gz DHPIVLLNIVQIPB-CYBMUJFWSA-N -1 0 346.387 2.655 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1CSC ZINC000916918057 727741723 /nfs/dbraw/zinc/74/17/23/727741723.db2.gz PJBGXHDKUJWQKZ-LBPRGKRZSA-N -1 0 328.393 2.920 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCCC(C)C)c(OC)c1 ZINC000916918519 727741748 /nfs/dbraw/zinc/74/17/48/727741748.db2.gz NAMXXBRIEFJYMC-HNNXBMFYSA-N -1 0 344.411 2.745 20 30 EFEDRM CCc1nc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2nc1CC ZINC000916945320 727744964 /nfs/dbraw/zinc/74/49/64/727744964.db2.gz MJLLUADBGIVSLN-ZDUSSCGKSA-N -1 0 338.411 2.602 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000917001624 727753637 /nfs/dbraw/zinc/75/36/37/727753637.db2.gz CXJLAYOQUSLNPM-MRXNPFEDSA-N -1 0 344.374 2.608 20 30 EFEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1ccccc1 ZINC000917031319 727756849 /nfs/dbraw/zinc/75/68/49/727756849.db2.gz RCJVKANAWRXDLN-UHFFFAOYSA-N -1 0 342.380 2.905 20 30 EFEDRM CNC(=O)Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000912961574 727762688 /nfs/dbraw/zinc/76/26/88/727762688.db2.gz BSORWXIKYZQGRH-UHFFFAOYSA-N -1 0 347.758 2.993 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156505550 727928938 /nfs/dbraw/zinc/92/89/38/727928938.db2.gz CNADNGYNHIIIIB-NSHDSACASA-N -1 0 341.592 2.704 20 30 EFEDRM CCSc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cn1 ZINC000070029428 727948604 /nfs/dbraw/zinc/94/86/04/727948604.db2.gz WXBJJUVWJJSBQJ-UHFFFAOYSA-N -1 0 328.440 2.949 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183126832 727968242 /nfs/dbraw/zinc/96/82/42/727968242.db2.gz ZSBICCVHQNCFSR-CYBMUJFWSA-N -1 0 341.392 2.958 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1C#N ZINC000183128718 727968418 /nfs/dbraw/zinc/96/84/18/727968418.db2.gz DCFLBJYTIAWJAL-CYBMUJFWSA-N -1 0 341.392 2.958 20 30 EFEDRM COc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099843 727972573 /nfs/dbraw/zinc/97/25/73/727972573.db2.gz DNQPSZDCXWFQFN-UHFFFAOYSA-N -1 0 337.372 2.863 20 30 EFEDRM COc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000045100194 727972628 /nfs/dbraw/zinc/97/26/28/727972628.db2.gz GXJUPZHQLQILGN-UHFFFAOYSA-N -1 0 337.372 2.863 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000183134890 727974930 /nfs/dbraw/zinc/97/49/30/727974930.db2.gz MOJTWKMTSDPHCY-NSHDSACASA-N -1 0 347.352 2.686 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)c1Cl ZINC000058055267 728132743 /nfs/dbraw/zinc/13/27/43/728132743.db2.gz FFYLRFCRJKNBHY-UHFFFAOYSA-N -1 0 341.820 2.742 20 30 EFEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)[C@@H]1CC=CCC1 ZINC000058101847 728143677 /nfs/dbraw/zinc/14/36/77/728143677.db2.gz WMLMEWKOMGAHPW-SNVBAGLBSA-N -1 0 339.804 2.989 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000058113392 728144395 /nfs/dbraw/zinc/14/43/95/728144395.db2.gz XPAVVYAJASYTCY-UHFFFAOYSA-N -1 0 327.365 2.566 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(F)cc1F ZINC000058151062 728146642 /nfs/dbraw/zinc/14/66/42/728146642.db2.gz CGDZEEMZYCZQQL-UHFFFAOYSA-N -1 0 346.742 2.848 20 30 EFEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150026 728146725 /nfs/dbraw/zinc/14/67/25/728146725.db2.gz PYSNAFTWOCQELI-UHFFFAOYSA-N -1 0 342.779 2.903 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000046929194 728325583 /nfs/dbraw/zinc/32/55/83/728325583.db2.gz UQMBSFARETWPGV-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000046927594 728325667 /nfs/dbraw/zinc/32/56/67/728325667.db2.gz LGFXXPWLKLEDHD-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)c1 ZINC000129948429 728464205 /nfs/dbraw/zinc/46/42/05/728464205.db2.gz RROHWHVRNGMIER-UHFFFAOYSA-N -1 0 328.393 2.800 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1 ZINC000323886908 728474387 /nfs/dbraw/zinc/47/43/87/728474387.db2.gz MIJHBOAOKFZUIA-UHFFFAOYSA-N -1 0 345.376 2.566 20 30 EFEDRM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000061069675 728475169 /nfs/dbraw/zinc/47/51/69/728475169.db2.gz WLGGDNRHUGCKTR-UHFFFAOYSA-N -1 0 345.490 2.784 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000171329397 728530154 /nfs/dbraw/zinc/53/01/54/728530154.db2.gz WLABAILKPOOIPR-VIFPVBQESA-N -1 0 349.362 2.935 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000171480143 728536527 /nfs/dbraw/zinc/53/65/27/728536527.db2.gz HFKCBYLIQNWDBX-HNNXBMFYSA-N -1 0 342.420 2.947 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1cn(C)c2ccccc12 ZINC000062674334 728596001 /nfs/dbraw/zinc/59/60/01/728596001.db2.gz AMSRLGWXJBSZRR-UHFFFAOYSA-N -1 0 347.396 2.671 20 30 EFEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000173936386 728640936 /nfs/dbraw/zinc/64/09/36/728640936.db2.gz SCUNNMCAJSLGKO-LBPRGKRZSA-N -1 0 335.201 2.702 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(SC)n2ccccc12 ZINC000173944260 728642502 /nfs/dbraw/zinc/64/25/02/728642502.db2.gz CTFUIMAWOKVACB-LBPRGKRZSA-N -1 0 344.440 2.685 20 30 EFEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000173955271 728642951 /nfs/dbraw/zinc/64/29/51/728642951.db2.gz MKTJTUIADQQSIW-ZDUSSCGKSA-N -1 0 327.409 2.734 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000173967518 728643221 /nfs/dbraw/zinc/64/32/21/728643221.db2.gz OXYAEVWKFHDXPV-INIZCTEOSA-N -1 0 335.363 2.819 20 30 EFEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571634 729003761 /nfs/dbraw/zinc/00/37/61/729003761.db2.gz TXIYEFIHNPFOMX-MNOVXSKESA-N -1 0 337.319 2.776 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000069573218 729006000 /nfs/dbraw/zinc/00/60/00/729006000.db2.gz AWTJDEBRWUZNDR-UHFFFAOYSA-N -1 0 349.393 2.800 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000154973554 729020117 /nfs/dbraw/zinc/02/01/17/729020117.db2.gz ZFOHIZRSYQGZFH-KRWDZBQOSA-N -1 0 340.379 2.586 20 30 EFEDRM CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000154978714 729023603 /nfs/dbraw/zinc/02/36/03/729023603.db2.gz XANTWDFINFJDOH-UHFFFAOYSA-N -1 0 340.470 2.675 20 30 EFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604899 729047259 /nfs/dbraw/zinc/04/72/59/729047259.db2.gz NYTMZPBRPNZLGE-WPRPVWTQSA-N -1 0 337.319 2.776 20 30 EFEDRM Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604500 729047331 /nfs/dbraw/zinc/04/73/31/729047331.db2.gz KTYWPJZKSVHMQJ-UHFFFAOYSA-N -1 0 332.303 2.737 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000155059394 729073484 /nfs/dbraw/zinc/07/34/84/729073484.db2.gz KIWGTIZEGMPCHX-GFCCVEGCSA-N -1 0 332.743 2.580 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)C3CC3)cc2[n-]c1=S ZINC000920040547 729131875 /nfs/dbraw/zinc/13/18/75/729131875.db2.gz UAYBCDZHFIZVPB-NSHDSACASA-N -1 0 343.452 2.647 20 30 EFEDRM Cc1cc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)no1 ZINC000920105408 729142559 /nfs/dbraw/zinc/14/25/59/729142559.db2.gz GBKIQBJGLHTXGQ-CYBMUJFWSA-N -1 0 337.335 2.743 20 30 EFEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)n2n1 ZINC000920115843 729146629 /nfs/dbraw/zinc/14/66/29/729146629.db2.gz MGSKYWMPPZMTPE-LBPRGKRZSA-N -1 0 331.335 2.977 20 30 EFEDRM O=C1c2ccc([O-])cc2O/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000920386683 729178177 /nfs/dbraw/zinc/17/81/77/729178177.db2.gz DLFFTNIRHOGOGG-OMCISZLKSA-N -1 0 341.275 2.688 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000130719401 729205366 /nfs/dbraw/zinc/20/53/66/729205366.db2.gz NESFQHLNWBJGDO-GFCCVEGCSA-N -1 0 331.372 2.796 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])[C@@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC000069831974 729253471 /nfs/dbraw/zinc/25/34/71/729253471.db2.gz SYFBJBZNVMTPSW-SUMWQHHRSA-N -1 0 326.377 2.800 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(O)cc2)n1 ZINC000921249744 729280859 /nfs/dbraw/zinc/28/08/59/729280859.db2.gz AJCMHMIZIHPDNH-BTKRWWFXSA-N -1 0 342.376 2.590 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(O)c(Cl)c1 ZINC000921258503 729281242 /nfs/dbraw/zinc/28/12/42/729281242.db2.gz ILGDBXAIKNGZHJ-UHFFFAOYSA-N -1 0 331.784 2.926 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175118440 729477625 /nfs/dbraw/zinc/47/76/25/729477625.db2.gz RKFGJFUUVSQVQT-OAHLLOKOSA-N -1 0 326.352 2.544 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000741656497 729515418 /nfs/dbraw/zinc/51/54/18/729515418.db2.gz DOONITKAWGAXEL-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000179735101 729619035 /nfs/dbraw/zinc/61/90/35/729619035.db2.gz OQZIDHPKOBMDQI-HUUCEWRRSA-N -1 0 341.411 2.631 20 30 EFEDRM CC(C)C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])N1CCCCC1=O ZINC000179739049 729619537 /nfs/dbraw/zinc/61/95/37/729619537.db2.gz YZQCIEDYWGGNKK-OAHLLOKOSA-N -1 0 329.400 2.630 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001465108482 804100319 /nfs/dbraw/zinc/10/03/19/804100319.db2.gz SGABZRWEIGMJPV-HOTGVXAUSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001465118086 804178976 /nfs/dbraw/zinc/17/89/76/804178976.db2.gz LVQSINZZBYNUSS-GJZGRUSLSA-N -1 0 339.413 2.637 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001465118087 804179046 /nfs/dbraw/zinc/17/90/46/804179046.db2.gz LVQSINZZBYNUSS-HUUCEWRRSA-N -1 0 339.413 2.637 20 30 EFEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000797725742 939188551 /nfs/dbraw/zinc/18/85/51/939188551.db2.gz YWMYFHKHFBGLKC-AWEZNQCLSA-N -1 0 338.791 2.577 20 30 EFEDRM CCCCCCCNC(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC000864531007 939255944 /nfs/dbraw/zinc/25/59/44/939255944.db2.gz SGPZRZOLAVBBQK-SUMWQHHRSA-N -1 0 328.453 2.914 20 30 EFEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000871644541 939260092 /nfs/dbraw/zinc/26/00/92/939260092.db2.gz IROOTKLNIBUORG-ZDUSSCGKSA-N -1 0 342.317 2.934 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000929045972 939802245 /nfs/dbraw/zinc/80/22/45/939802245.db2.gz TVYKKPPBOOJGMB-DLBZAZTESA-N -1 0 346.427 2.873 20 30 EFEDRM N#CC1(c2ccccn2)CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001601059394 970924265 /nfs/dbraw/zinc/92/42/65/970924265.db2.gz YJKZZDNBDYHTFZ-UHFFFAOYSA-N -1 0 342.786 2.890 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001611295840 970980251 /nfs/dbraw/zinc/98/02/51/970980251.db2.gz NFWQPQZTXWZFIT-UHFFFAOYSA-N -1 0 333.340 2.511 20 30 EFEDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000323412136 971002265 /nfs/dbraw/zinc/00/22/65/971002265.db2.gz QFKXEUTZHIOPHF-QMMMGPOBSA-N -1 0 347.186 2.980 20 30 EFEDRM N#CCc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324273113 971103097 /nfs/dbraw/zinc/10/30/97/971103097.db2.gz LRVANHPSMYWACD-CQSZACIVSA-N -1 0 341.289 2.624 20 30 EFEDRM N#CCCN(Cc1cccnc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324696284 971148749 /nfs/dbraw/zinc/14/87/49/971148749.db2.gz VZDAOMIRXJLKEB-UHFFFAOYSA-N -1 0 329.400 2.749 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001602675604 971250665 /nfs/dbraw/zinc/25/06/65/971250665.db2.gz CJACRMFMRGQAOQ-HNNXBMFYSA-N -1 0 329.396 2.806 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCn1c2ccccc2c2ccccc21 ZINC001602682041 971264304 /nfs/dbraw/zinc/26/43/04/971264304.db2.gz DNFQJBOEAQPJQG-UHFFFAOYSA-N -1 0 334.375 2.731 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001602683384 971273018 /nfs/dbraw/zinc/27/30/18/971273018.db2.gz COJHXGCMQBSLQY-UKRRQHHQSA-N -1 0 334.803 2.706 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001602683887 971276653 /nfs/dbraw/zinc/27/66/53/971276653.db2.gz LDISRWDRIVXACR-SNVBAGLBSA-N -1 0 343.210 2.654 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC001602684058 971277446 /nfs/dbraw/zinc/27/74/46/971277446.db2.gz PBCPEEAZXYMUPV-OAHLLOKOSA-N -1 0 332.400 2.512 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC001602683964 971277972 /nfs/dbraw/zinc/27/79/72/971277972.db2.gz MWTHLMCCNYEBIG-SNVBAGLBSA-N -1 0 343.210 2.826 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(C)C)c1ccccc1OCC ZINC001602684314 971279730 /nfs/dbraw/zinc/27/97/30/971279730.db2.gz VSFMUKFPDXDCMA-INIZCTEOSA-N -1 0 346.427 2.902 20 30 EFEDRM C#CCN(CC(=O)[O-])C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001602695685 971310915 /nfs/dbraw/zinc/31/09/15/971310915.db2.gz PXKUBGUMWFHWEC-CQSZACIVSA-N -1 0 340.464 2.726 20 30 EFEDRM C=C(C)c1cccc(NC(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)c1 ZINC001573296199 947044091 /nfs/dbraw/zinc/04/40/91/947044091.db2.gz ZTZMIVHBJOFOIH-UHFFFAOYSA-N -1 0 336.355 2.561 20 30 EFEDRM C=C(C)Cn1c(CC(F)F)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602709467 971345591 /nfs/dbraw/zinc/34/55/91/971345591.db2.gz CBCACXNBIVMMTE-UHFFFAOYSA-N -1 0 342.390 2.743 20 30 EFEDRM C=CCOc1ccc(COC(=O)C2(C(=O)[O-])CCSCC2)cc1 ZINC001602728861 971397123 /nfs/dbraw/zinc/39/71/23/971397123.db2.gz KQYFQXVAOXHZMY-UHFFFAOYSA-N -1 0 336.409 2.893 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001602778710 971512359 /nfs/dbraw/zinc/51/23/59/971512359.db2.gz LOAXRCQPIWZLKK-LJQANCHMSA-N -1 0 339.395 2.878 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC001602782241 971528799 /nfs/dbraw/zinc/52/87/99/971528799.db2.gz RAUNGSORNWOGED-SFHVURJKSA-N -1 0 349.350 2.568 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC001589584089 949025099 /nfs/dbraw/zinc/02/50/99/949025099.db2.gz MPAZTKQHXDPBBI-IBGZPJMESA-N -1 0 344.411 2.819 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC001589584091 949025472 /nfs/dbraw/zinc/02/54/72/949025472.db2.gz MPAZTKQHXDPBBI-LJQANCHMSA-N -1 0 344.411 2.819 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001602786394 971534269 /nfs/dbraw/zinc/53/42/69/971534269.db2.gz OOVHWYJNPONWRC-NSHDSACASA-N -1 0 334.397 2.514 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001602786393 971534606 /nfs/dbraw/zinc/53/46/06/971534606.db2.gz OOVHWYJNPONWRC-LLVKDONJSA-N -1 0 334.397 2.514 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC001589592123 949100223 /nfs/dbraw/zinc/10/02/23/949100223.db2.gz OBGYVMDGXNTLAZ-GOSISDBHSA-N -1 0 346.452 2.895 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC001589592129 949100707 /nfs/dbraw/zinc/10/07/07/949100707.db2.gz OBGYVMDGXNTLAZ-SFHVURJKSA-N -1 0 346.452 2.895 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001589639712 949668002 /nfs/dbraw/zinc/66/80/02/949668002.db2.gz IWJQLSQICVMBTI-HZPDHXFCSA-N -1 0 334.416 2.770 20 30 EFEDRM N#Cc1ccc(N(CC(=O)[O-])CC2CC2)c(F)c1Br ZINC000231842000 949753665 /nfs/dbraw/zinc/75/36/65/949753665.db2.gz WKLOLYWOCYLCKG-UHFFFAOYSA-N -1 0 327.153 2.761 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232177738 949765092 /nfs/dbraw/zinc/76/50/92/949765092.db2.gz QYGGGNFNQHTVIR-UHFFFAOYSA-N -1 0 345.580 2.654 20 30 EFEDRM CC(C)(C#N)CCCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001602829977 971646667 /nfs/dbraw/zinc/64/66/67/971646667.db2.gz DHIGNXHSNIHXDA-OAHLLOKOSA-N -1 0 343.383 2.579 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589960248 950736663 /nfs/dbraw/zinc/73/66/63/950736663.db2.gz QHANXTGHWHWNRM-UHFFFAOYSA-N -1 0 339.351 2.706 20 30 EFEDRM O=C([O-])CC[C@H]1C[C@H](C(=O)N(O)Cc2cccc3ccccc32)CO1 ZINC001594999813 951106933 /nfs/dbraw/zinc/10/69/33/951106933.db2.gz BEVWHZWCFJTTHX-HOTGVXAUSA-N -1 0 343.379 2.828 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)N(O)Cc2ccccc2Cl)cc1 ZINC001595118528 951956347 /nfs/dbraw/zinc/95/63/47/951956347.db2.gz NOZICZHGZGNMBX-UHFFFAOYSA-N -1 0 335.743 2.835 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC001593609619 953454599 /nfs/dbraw/zinc/45/45/99/953454599.db2.gz HYQNKTGYXVAGAN-UFBFGSQYSA-N -1 0 341.314 2.780 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001593635223 953605918 /nfs/dbraw/zinc/60/59/18/953605918.db2.gz IATSRLBOURSBBU-IKGGRYGDSA-N -1 0 344.411 2.542 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001593635565 953608092 /nfs/dbraw/zinc/60/80/92/953608092.db2.gz WIDJYZYKSNJAML-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1C(=O)[O-] ZINC001589325923 953909377 /nfs/dbraw/zinc/90/93/77/953909377.db2.gz VYDXGTIFVLBBQN-BZNIZROVSA-N -1 0 339.351 2.539 20 30 EFEDRM CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2ccc(Cl)cc2s1 ZINC001593676108 953928262 /nfs/dbraw/zinc/92/82/62/953928262.db2.gz JYOASMTYZSEGFW-CQSZACIVSA-N -1 0 337.788 2.917 20 30 EFEDRM CN(C)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC001593710153 954180342 /nfs/dbraw/zinc/18/03/42/954180342.db2.gz CJROXEFZHVPGAA-AWEZNQCLSA-N -1 0 343.305 2.714 20 30 EFEDRM CC(C)[C@@H](CNc1nccc(Oc2cccc(C#N)c2)n1)C(=O)[O-] ZINC001602991397 972018332 /nfs/dbraw/zinc/01/83/32/972018332.db2.gz LCQDNVDFKRMOGT-CQSZACIVSA-N -1 0 326.356 2.909 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001589426297 954624823 /nfs/dbraw/zinc/62/48/23/954624823.db2.gz HDAQXNBVKDOBRG-HIFRSBDPSA-N -1 0 332.400 2.731 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCCC(=O)[O-] ZINC001602993509 972030718 /nfs/dbraw/zinc/03/07/18/972030718.db2.gz MVZAMZXGHAMGFV-KRWDZBQOSA-N -1 0 332.400 2.723 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000689860928 954663008 /nfs/dbraw/zinc/66/30/08/954663008.db2.gz TXWFMOUSZFVFHX-DTWKUNHWSA-N -1 0 337.173 2.760 20 30 EFEDRM CC(C)(C)CN(CC(=O)[O-])c1ncc(Br)cc1C#N ZINC000692095725 954693135 /nfs/dbraw/zinc/69/31/35/954693135.db2.gz SQFDGAOPHDTPCI-UHFFFAOYSA-N -1 0 326.194 2.653 20 30 EFEDRM CC[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001589538280 955178415 /nfs/dbraw/zinc/17/84/15/955178415.db2.gz RENCHOXHFHTGIU-MRVPVSSYSA-N -1 0 345.277 2.689 20 30 EFEDRM CC[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC001589547182 955206094 /nfs/dbraw/zinc/20/60/94/955206094.db2.gz UUQDEMIKGFLMEU-HNNXBMFYSA-N -1 0 337.379 2.714 20 30 EFEDRM CC[C@@H](CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC001589548962 955206830 /nfs/dbraw/zinc/20/68/30/955206830.db2.gz BBBIYQASCWNLGE-HNNXBMFYSA-N -1 0 339.395 2.806 20 30 EFEDRM CC(C)(NC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000737597407 955221343 /nfs/dbraw/zinc/22/13/43/955221343.db2.gz TWGPIYSOOFBFNL-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000819864754 955459148 /nfs/dbraw/zinc/45/91/48/955459148.db2.gz CZSPLWAMHCVNOO-MRXNPFEDSA-N -1 0 347.371 2.816 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)cc1F ZINC000819873978 955460856 /nfs/dbraw/zinc/46/08/56/955460856.db2.gz FUGKSTNMXBNKSF-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001589039334 955579641 /nfs/dbraw/zinc/57/96/41/955579641.db2.gz ASISSQIKKVFGDU-ACJLOTCBSA-N -1 0 332.400 2.698 20 30 EFEDRM C[C@](CNC(=O)Nc1cccc(CC#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589058374 955716421 /nfs/dbraw/zinc/71/64/21/955716421.db2.gz ZCFFMRQXGWCPAD-LJQANCHMSA-N -1 0 337.379 2.917 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000848450351 955736502 /nfs/dbraw/zinc/73/65/02/955736502.db2.gz ASCFUXUOFZDOAC-LOWQCSRCSA-N -1 0 347.411 2.746 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1F ZINC000848591854 955764565 /nfs/dbraw/zinc/76/45/65/955764565.db2.gz YZUCMJFIFZMQMT-GXTWGEPZSA-N -1 0 340.782 2.809 20 30 EFEDRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001589076421 955817829 /nfs/dbraw/zinc/81/78/29/955817829.db2.gz OHHVGPZZBICDMZ-DJJJIMSYSA-N -1 0 346.427 2.872 20 30 EFEDRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589076420 955818316 /nfs/dbraw/zinc/81/83/16/955818316.db2.gz OHHVGPZZBICDMZ-BFUOFWGJSA-N -1 0 346.427 2.872 20 30 EFEDRM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095321 955981026 /nfs/dbraw/zinc/98/10/26/955981026.db2.gz ZANGDEAUPZGZQA-UHOFOFEASA-N -1 0 328.412 2.742 20 30 EFEDRM C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095322 955981123 /nfs/dbraw/zinc/98/11/23/955981123.db2.gz ZANGDEAUPZGZQA-VBNZEHGJSA-N -1 0 328.412 2.742 20 30 EFEDRM C[C@@H](NC(=O)COCC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC001589095615 955983567 /nfs/dbraw/zinc/98/35/67/955983567.db2.gz FRSVXTAVHJHYAX-CYBMUJFWSA-N -1 0 338.363 2.504 20 30 EFEDRM C[C@H](NC(=O)COCC(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC001589095617 955983619 /nfs/dbraw/zinc/98/36/19/955983619.db2.gz FRSVXTAVHJHYAX-ZDUSSCGKSA-N -1 0 338.363 2.504 20 30 EFEDRM C[C@H](NC(=O)Cc1ccccc1CC#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589098133 955992407 /nfs/dbraw/zinc/99/24/07/955992407.db2.gz ITQLCJNCVNWXSD-VBNZEHGJSA-N -1 0 328.412 2.547 20 30 EFEDRM C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589109084 956056355 /nfs/dbraw/zinc/05/63/55/956056355.db2.gz YCJVKVQIYVCMJI-QCZZGDTMSA-N -1 0 333.363 2.954 20 30 EFEDRM N#C[C@@H](C(=O)[C@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600724 956124514 /nfs/dbraw/zinc/12/45/14/956124514.db2.gz DQOQOGSJQAVHER-JOYOIKCWSA-N -1 0 333.294 2.718 20 30 EFEDRM N#C[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(Br)cc1 ZINC001594601465 956135195 /nfs/dbraw/zinc/13/51/95/956135195.db2.gz MPRDIZJMNVWDQV-LBPRGKRZSA-N -1 0 339.189 2.775 20 30 EFEDRM N#CC1(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCCC1 ZINC001594603596 956156557 /nfs/dbraw/zinc/15/65/57/956156557.db2.gz GGODQAQXLXFEAH-UHFFFAOYSA-N -1 0 331.416 2.754 20 30 EFEDRM N#CCC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001594605410 956165490 /nfs/dbraw/zinc/16/54/90/956165490.db2.gz BOZDOMXBKYURHQ-UHFFFAOYSA-N -1 0 325.727 2.993 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001594608976 956188871 /nfs/dbraw/zinc/18/88/71/956188871.db2.gz GPQUSSZYTQPYLU-INIZCTEOSA-N -1 0 325.368 2.634 20 30 EFEDRM N#CCCCn1cc(C(=O)N(CC(=O)[O-])CC2CC2)c2ccccc21 ZINC001594609231 956191772 /nfs/dbraw/zinc/19/17/72/956191772.db2.gz XPGJNCVQTGPIJN-UHFFFAOYSA-N -1 0 339.395 2.882 20 30 EFEDRM N#CCOc1cc(F)ccc1NCCOc1ccccc1C(=O)[O-] ZINC001594609981 956196642 /nfs/dbraw/zinc/19/66/42/956196642.db2.gz NBWYVGFPBDTIEZ-UHFFFAOYSA-N -1 0 330.315 2.917 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594610704 956205557 /nfs/dbraw/zinc/20/55/57/956205557.db2.gz BVMOGADBEDGCOF-KRWDZBQOSA-N -1 0 334.375 2.900 20 30 EFEDRM N#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594611413 956213514 /nfs/dbraw/zinc/21/35/14/956213514.db2.gz NKYIGJLBEBYGOD-HNNXBMFYSA-N -1 0 343.314 2.675 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)C1(C(=O)[O-])CCCCC1)C2 ZINC001594611575 956216364 /nfs/dbraw/zinc/21/63/64/956216364.db2.gz YKAYLSQGIICELK-UHFFFAOYSA-N -1 0 326.396 2.672 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1F ZINC001594611781 956220465 /nfs/dbraw/zinc/22/04/65/956220465.db2.gz DTVJDBSFUGOPBL-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594615717 956234615 /nfs/dbraw/zinc/23/46/15/956234615.db2.gz GRMHEPIUGFOMPJ-INIZCTEOSA-N -1 0 339.326 2.913 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594616086 956237711 /nfs/dbraw/zinc/23/77/11/956237711.db2.gz HOOZCIOCPIONST-VIFPVBQESA-N -1 0 327.167 2.802 20 30 EFEDRM N#Cc1cc(F)c(OC(=O)CCCC(=O)[O-])c(Br)c1 ZINC001594616945 956244027 /nfs/dbraw/zinc/24/40/27/956244027.db2.gz UNJGTDGPYKYAAX-UHFFFAOYSA-N -1 0 330.109 2.620 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2)ccn1 ZINC001594617449 956249087 /nfs/dbraw/zinc/24/90/87/956249087.db2.gz LJXBYMWCQQCVIY-HZPDHXFCSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001594617650 956252140 /nfs/dbraw/zinc/25/21/40/956252140.db2.gz SAOGVBDYOJZIDW-UHFFFAOYSA-N -1 0 346.346 2.623 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C2CC2)cc1 ZINC001594618064 956259143 /nfs/dbraw/zinc/25/91/43/956259143.db2.gz BATFATYVAOJRSF-UHFFFAOYSA-N -1 0 336.351 2.848 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)nc1 ZINC001594618063 956259455 /nfs/dbraw/zinc/25/94/55/956259455.db2.gz AWGPYTMMJWTIAA-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@H](C(=O)[O-])C3CC3)s2)cc1 ZINC001594619694 956271205 /nfs/dbraw/zinc/27/12/05/956271205.db2.gz MOBWRWDCDDIIIY-CQSZACIVSA-N -1 0 341.392 2.655 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001594620999 956282224 /nfs/dbraw/zinc/28/22/24/956282224.db2.gz YRMZEACIDWLCPK-ZWKOTPCHSA-N -1 0 349.390 2.568 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594621046 956283193 /nfs/dbraw/zinc/28/31/93/956283193.db2.gz DKPZQHPDBPSGTL-SFHVURJKSA-N -1 0 349.390 2.542 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001594621717 956287789 /nfs/dbraw/zinc/28/77/89/956287789.db2.gz POFLBLOIFIBXCE-LSDHHAIUSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(C2CC2)c1 ZINC001594622991 956294777 /nfs/dbraw/zinc/29/47/77/956294777.db2.gz STFJCCLWBMNQAJ-KBPBESRZSA-N -1 0 328.368 2.644 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC001594622939 956295385 /nfs/dbraw/zinc/29/53/85/956295385.db2.gz QLLORUMMQAVHGP-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)ncc1Br ZINC000900962062 956299317 /nfs/dbraw/zinc/29/93/17/956299317.db2.gz JZDNGDUZILMFPV-JTQLQIEISA-N -1 0 338.205 2.797 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3c[nH]nc3C(=O)[O-])c2)cc1 ZINC001594624162 956302870 /nfs/dbraw/zinc/30/28/70/956302870.db2.gz RTMIYLSKMMSXFO-UHFFFAOYSA-N -1 0 347.334 2.975 20 30 EFEDRM N#Cc1cccc(-c2nnc(CNC3(C(=O)[O-])CCCCCC3)o2)c1 ZINC001594626438 956318505 /nfs/dbraw/zinc/31/85/05/956318505.db2.gz BGUXUKOKXAEYJK-UHFFFAOYSA-N -1 0 340.383 2.875 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594627201 956322022 /nfs/dbraw/zinc/32/20/22/956322022.db2.gz NIOXNBPLOSMWGU-QGZVFWFLSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(-c2cc(-c3nc(C4(C(=O)[O-])CCC4)no3)on2)c1 ZINC001594627704 956324538 /nfs/dbraw/zinc/32/45/38/956324538.db2.gz UCBUNLXLOFUUMU-UHFFFAOYSA-N -1 0 336.307 2.770 20 30 EFEDRM N#Cc1cccc(-c2nnc(COc3ccccc3CC(=O)[O-])o2)c1 ZINC001594627707 956325151 /nfs/dbraw/zinc/32/51/51/956325151.db2.gz UCHSNTAXXPVMSH-UHFFFAOYSA-N -1 0 335.319 2.814 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC001594628636 956334138 /nfs/dbraw/zinc/33/41/38/956334138.db2.gz HMVWHHVRDOTCMW-DLBZAZTESA-N -1 0 326.396 2.765 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594628873 956337886 /nfs/dbraw/zinc/33/78/86/956337886.db2.gz TVHIMDJQGIAMGY-UHFFFAOYSA-N -1 0 336.338 2.753 20 30 EFEDRM N#Cc1cnc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594633672 956358537 /nfs/dbraw/zinc/35/85/37/956358537.db2.gz WWGAGFHNSKSBJH-UONOGXRCSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1sc(NC(=O)N2CCC(CCC(=O)[O-])CC2)nc1Cl ZINC001594635694 956370795 /nfs/dbraw/zinc/37/07/95/956370795.db2.gz RFHXUWOUXMBMDF-UHFFFAOYSA-N -1 0 342.808 2.777 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC001594635938 956371623 /nfs/dbraw/zinc/37/16/23/956371623.db2.gz YOLVGPLQEJYOEQ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589174632 956482261 /nfs/dbraw/zinc/48/22/61/956482261.db2.gz FSNJRKQWKPNEGM-CYBMUJFWSA-N -1 0 338.363 2.855 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001589211902 956697485 /nfs/dbraw/zinc/69/74/85/956697485.db2.gz FOLZFYRFKQTTHW-INIZCTEOSA-N -1 0 339.313 2.674 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000902697997 956773840 /nfs/dbraw/zinc/77/38/40/956773840.db2.gz GQKMKFLEQGRVBC-AWEZNQCLSA-N -1 0 327.384 2.946 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)ccc1C1CC1 ZINC000902702983 956775933 /nfs/dbraw/zinc/77/59/33/956775933.db2.gz VXGSTPRRBHZKOK-UKRRQHHQSA-N -1 0 328.368 2.644 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)ccc1C1CC1 ZINC000902702982 956776108 /nfs/dbraw/zinc/77/61/08/956776108.db2.gz VXGSTPRRBHZKOK-HIFRSBDPSA-N -1 0 328.368 2.644 20 30 EFEDRM C=CCc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000013072616 956925317 /nfs/dbraw/zinc/92/53/17/956925317.db2.gz WGIBZFWYSYMXLH-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC000904263194 956951522 /nfs/dbraw/zinc/95/15/22/956951522.db2.gz TUZDYXLCNFMGKI-HNNXBMFYSA-N -1 0 328.393 2.891 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)c1 ZINC001594281377 957747663 /nfs/dbraw/zinc/74/76/63/957747663.db2.gz KUKDZWIPIZJPGJ-CYBMUJFWSA-N -1 0 334.335 2.763 20 30 EFEDRM COCc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C(F)(F)F ZINC001594029588 957750330 /nfs/dbraw/zinc/75/03/30/957750330.db2.gz YFUVPRPHBHHZBZ-AWEZNQCLSA-N -1 0 344.289 2.795 20 30 EFEDRM COCc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C(F)(F)F ZINC001594029589 957750341 /nfs/dbraw/zinc/75/03/41/957750341.db2.gz YFUVPRPHBHHZBZ-CQSZACIVSA-N -1 0 344.289 2.795 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594042232 957883534 /nfs/dbraw/zinc/88/35/34/957883534.db2.gz HNHXOQQPBBBOER-SJORKVTESA-N -1 0 338.363 2.710 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594049132 957962957 /nfs/dbraw/zinc/96/29/57/957962957.db2.gz DTXKHAUHXVREEP-OAHLLOKOSA-N -1 0 343.314 2.653 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001588373112 957966641 /nfs/dbraw/zinc/96/66/41/957966641.db2.gz ACMBPOHJZMHRIS-CYBMUJFWSA-N -1 0 329.743 2.929 20 30 EFEDRM C#C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001588386415 957977870 /nfs/dbraw/zinc/97/78/70/957977870.db2.gz RGHCBGLXRVOXBL-CVEARBPZSA-N -1 0 332.375 2.929 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588387376 957986983 /nfs/dbraw/zinc/98/69/83/957986983.db2.gz INZXBPFURPOASW-QMMMGPOBSA-N -1 0 325.162 2.633 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001588388605 957997193 /nfs/dbraw/zinc/99/71/93/957997193.db2.gz VMTCNMSTLRBGRK-CQDKDKBSSA-N -1 0 334.803 2.767 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588395730 958042610 /nfs/dbraw/zinc/04/26/10/958042610.db2.gz MCMDYQRFTTYMBW-QGZVFWFLSA-N -1 0 341.338 2.784 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001588397836 958065104 /nfs/dbraw/zinc/06/51/04/958065104.db2.gz WCOFXXWPPGFFBO-UHFFFAOYSA-N -1 0 341.329 2.821 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588399226 958070816 /nfs/dbraw/zinc/07/08/16/958070816.db2.gz HNHZATJRLUMVLU-NWDGAFQWSA-N -1 0 326.179 2.643 20 30 EFEDRM Cc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C#N)cc1N(C)C ZINC001594317139 958079264 /nfs/dbraw/zinc/07/92/64/958079264.db2.gz PCSPPZKEYYDVBP-ALCCZGGFSA-N -1 0 339.351 2.876 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C(/C)c1ccccc1C(F)(F)F ZINC001588400329 958080803 /nfs/dbraw/zinc/08/08/03/958080803.db2.gz VQBRWLRPYKYBNC-LUAWRHEFSA-N -1 0 325.286 2.655 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC001588409109 958123049 /nfs/dbraw/zinc/12/30/49/958123049.db2.gz BWLPHRKURQAGJP-UHFFFAOYSA-N -1 0 332.375 2.581 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001588410219 958137158 /nfs/dbraw/zinc/13/71/58/958137158.db2.gz QSXWILCUTCZHAW-NSHDSACASA-N -1 0 342.317 2.538 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC001588411201 958147223 /nfs/dbraw/zinc/14/72/23/958147223.db2.gz QXJQAGFAADCEBL-UHFFFAOYSA-N -1 0 346.717 2.536 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC001588411211 958147934 /nfs/dbraw/zinc/14/79/34/958147934.db2.gz RKUMNDHKHMEOQI-UHFFFAOYSA-N -1 0 340.383 2.547 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC001588417164 958167406 /nfs/dbraw/zinc/16/74/06/958167406.db2.gz AIKBZBNTCDODQD-UHFFFAOYSA-N -1 0 348.358 2.963 20 30 EFEDRM COc1cc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2cc1OC ZINC001594069705 958171247 /nfs/dbraw/zinc/17/12/47/958171247.db2.gz LKQUAMSRJCEMHO-SFHVURJKSA-N -1 0 342.351 2.800 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC001588418384 958177634 /nfs/dbraw/zinc/17/76/34/958177634.db2.gz DCHBCKMTRMYQMU-UHFFFAOYSA-N -1 0 328.393 2.587 20 30 EFEDRM C[C@](NC(=O)C(=O)/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001603211437 972326650 /nfs/dbraw/zinc/32/66/50/972326650.db2.gz ZPZHOQGQGWCPKH-UZRURVBFSA-N -1 0 341.338 2.524 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC001588419280 958193844 /nfs/dbraw/zinc/19/38/44/958193844.db2.gz ZWCACKOGUXEZQF-UHFFFAOYSA-N -1 0 334.331 2.655 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001588423853 958209633 /nfs/dbraw/zinc/20/96/33/958209633.db2.gz GNXIVCWGKRIAEL-UHFFFAOYSA-N -1 0 339.391 2.794 20 30 EFEDRM COc1ccc([C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2CCC2)cc1 ZINC001594080894 958266066 /nfs/dbraw/zinc/26/60/66/958266066.db2.gz VCXFXOJIUIVWOR-FUHWJXTLSA-N -1 0 330.384 2.657 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588432437 958283415 /nfs/dbraw/zinc/28/34/15/958283415.db2.gz UAEDPILSVAHPGT-FPLPWBNLSA-N -1 0 327.311 2.792 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001588433316 958294338 /nfs/dbraw/zinc/29/43/38/958294338.db2.gz JPJWTRRPBWQQSW-QGZVFWFLSA-N -1 0 338.363 2.954 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588433279 958294556 /nfs/dbraw/zinc/29/45/56/958294556.db2.gz IHUWNMDFCAGDLF-CQSZACIVSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588433546 958299018 /nfs/dbraw/zinc/29/90/18/958299018.db2.gz OVSZUIMYZUYVAW-ZDUSSCGKSA-N -1 0 348.374 2.946 20 30 EFEDRM C#CCOc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588433726 958300000 /nfs/dbraw/zinc/30/00/00/958300000.db2.gz UEFMANOHMADSKL-UHFFFAOYSA-N -1 0 329.396 2.740 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001588433721 958300305 /nfs/dbraw/zinc/30/03/05/958300305.db2.gz UDAXCWGKQZXOIR-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001588434065 958303832 /nfs/dbraw/zinc/30/38/32/958303832.db2.gz YXVNUZVEORXDCF-UHFFFAOYSA-N -1 0 340.383 2.577 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001594342883 958310356 /nfs/dbraw/zinc/31/03/56/958310356.db2.gz AQUYLBNNPRZTLU-LFAGTQEPSA-N -1 0 343.423 2.986 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588443227 958352336 /nfs/dbraw/zinc/35/23/36/958352336.db2.gz ONHTWDIEZGTRCT-HNNXBMFYSA-N -1 0 326.400 2.605 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1C#N ZINC001594093182 958377365 /nfs/dbraw/zinc/37/73/65/958377365.db2.gz BNGDAUBXZVFNKR-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588451226 958407295 /nfs/dbraw/zinc/40/72/95/958407295.db2.gz PYVVUWJECXFYJT-ZETCQYMHSA-N -1 0 329.150 2.775 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588453477 958439763 /nfs/dbraw/zinc/43/97/63/958439763.db2.gz YBWBDKYKALOTRW-HNNXBMFYSA-N -1 0 333.453 2.888 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCOc1ccccc1-c1ccccc1 ZINC001573317361 958448510 /nfs/dbraw/zinc/44/85/10/958448510.db2.gz GSPREHPHBGFIQL-UHFFFAOYSA-N -1 0 337.375 2.669 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC001573317890 958456262 /nfs/dbraw/zinc/45/62/62/958456262.db2.gz IDDFOLYMFGTAEL-UHFFFAOYSA-N -1 0 327.302 2.529 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001573318273 958462678 /nfs/dbraw/zinc/46/26/78/958462678.db2.gz UHGCDYAVQGKMQS-UHFFFAOYSA-N -1 0 349.346 2.902 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001573318524 958465185 /nfs/dbraw/zinc/46/51/85/958465185.db2.gz PQQPJNXCTGISKV-NTMALXAHSA-N -1 0 326.179 2.943 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573318530 958466162 /nfs/dbraw/zinc/46/61/62/958466162.db2.gz PTNNFQCCZQLGKO-QAPCUYQASA-N -1 0 332.375 2.786 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc2ccc(Br)cc2c1 ZINC001573321640 958483101 /nfs/dbraw/zinc/48/31/01/958483101.db2.gz ZXNPMFDTAYLUKX-UHFFFAOYSA-N -1 0 346.180 2.762 20 30 EFEDRM C#CCSCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001573327097 958484935 /nfs/dbraw/zinc/48/49/35/958484935.db2.gz CVXZGIKPJASRGA-BDAKNGLRSA-N -1 0 339.438 2.773 20 30 EFEDRM C#CCOCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001573327148 958485974 /nfs/dbraw/zinc/48/59/74/958485974.db2.gz GIGKXJISSYJHNM-NSHDSACASA-N -1 0 335.425 2.940 20 30 EFEDRM Cc1ccc(F)cc1-c1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s1 ZINC001594365469 958486545 /nfs/dbraw/zinc/48/65/45/958486545.db2.gz ROZYYHDGJMIYGP-OAHLLOKOSA-N -1 0 348.359 2.596 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588464208 958490415 /nfs/dbraw/zinc/49/04/15/958490415.db2.gz HVTLACASYSZDGH-UHFFFAOYSA-N -1 0 346.387 2.558 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588464485 958493134 /nfs/dbraw/zinc/49/31/34/958493134.db2.gz UONXOURLKCXHNS-UHFFFAOYSA-N -1 0 325.364 2.978 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(=O)[O-])nn1C ZINC001588464517 958493572 /nfs/dbraw/zinc/49/35/72/958493572.db2.gz XRGPCOJVDPIISO-UHFFFAOYSA-N -1 0 339.804 2.662 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588466443 958511209 /nfs/dbraw/zinc/51/12/09/958511209.db2.gz QFIGPMVKDZAWCO-SFHVURJKSA-N -1 0 343.354 2.875 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001573337464 958523318 /nfs/dbraw/zinc/52/33/18/958523318.db2.gz OBXYTZSHTLONRJ-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC001588470461 958527828 /nfs/dbraw/zinc/52/78/28/958527828.db2.gz NYJMFXOWLYNKRR-LSDHHAIUSA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2ccnc(C(=O)[O-])c2)c(OC)c1 ZINC001588470692 958529409 /nfs/dbraw/zinc/52/94/09/958529409.db2.gz RXJLRUQTTOHAED-UHFFFAOYSA-N -1 0 342.351 2.534 20 30 EFEDRM C=CCn1c([C@@H](CC)OCC)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001588470955 958532825 /nfs/dbraw/zinc/53/28/25/958532825.db2.gz XYZJBHKKMDEHCR-CYBMUJFWSA-N -1 0 336.436 2.643 20 30 EFEDRM C[C@H](NC(=O)NCc1cc(C#N)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603232359 972355524 /nfs/dbraw/zinc/35/55/24/972355524.db2.gz FFKULKTUQDPRJB-LEWSCRJBSA-N -1 0 347.390 2.632 20 30 EFEDRM C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588472542 958544576 /nfs/dbraw/zinc/54/45/76/958544576.db2.gz OQMLLQOASGHOME-GFCCVEGCSA-N -1 0 340.374 2.668 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588478283 958563737 /nfs/dbraw/zinc/56/37/37/958563737.db2.gz CEOKLRYHTSGONH-SJORKVTESA-N -1 0 329.396 2.682 20 30 EFEDRM C=CC[S@](=O)(=NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001573377873 958659498 /nfs/dbraw/zinc/65/94/98/958659498.db2.gz BACRNCCBRWDSOR-HSZRJFAPSA-N -1 0 330.365 2.633 20 30 EFEDRM Cc1cccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001594390440 958708928 /nfs/dbraw/zinc/70/89/28/958708928.db2.gz QPNGCBJKAZYREA-DYVFJYSZSA-N -1 0 338.363 2.576 20 30 EFEDRM COc1ccccc1[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC001594144631 958752797 /nfs/dbraw/zinc/75/27/97/958752797.db2.gz XRDXULNDKDNOKW-IFXJQAMLSA-N -1 0 344.411 2.796 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132530291 958787359 /nfs/dbraw/zinc/78/73/59/958787359.db2.gz MGZRWDZNRDLDCC-MRVPVSSYSA-N -1 0 340.177 2.771 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C(=O)[O-])c1 ZINC001594398957 958817005 /nfs/dbraw/zinc/81/70/05/958817005.db2.gz ZKHRZGCGBZDGRY-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001588539108 958950970 /nfs/dbraw/zinc/95/09/70/958950970.db2.gz XUTSTWPWANOOQA-SJCJKPOMSA-N -1 0 336.338 2.675 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc2ccccc2c(Cl)n1 ZINC001588540279 958960525 /nfs/dbraw/zinc/96/05/25/958960525.db2.gz WSDYVHWHPFLBHO-INIZCTEOSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001588541909 958967119 /nfs/dbraw/zinc/96/71/19/958967119.db2.gz OFVXCEDXXOAUMA-YWPYICTPSA-N -1 0 340.301 2.682 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)cc(F)c1Br ZINC001588541906 958967920 /nfs/dbraw/zinc/96/79/20/958967920.db2.gz ODUOUMAGHZVGPZ-LBPRGKRZSA-N -1 0 347.115 2.670 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001588542341 958970588 /nfs/dbraw/zinc/97/05/88/958970588.db2.gz YCRRFGDEHPCOSM-NSHDSACASA-N -1 0 333.291 2.637 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001588542663 958972905 /nfs/dbraw/zinc/97/29/05/958972905.db2.gz BGMXPAWOLIAGHB-HXUWFJFHSA-N -1 0 336.391 2.959 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588545128 958992133 /nfs/dbraw/zinc/99/21/33/958992133.db2.gz MEHDXHILGAZFMT-GFCCVEGCSA-N -1 0 340.335 2.693 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001588545130 958992696 /nfs/dbraw/zinc/99/26/96/958992696.db2.gz MUZBLEKQLOOTDT-GFCCVEGCSA-N -1 0 339.351 2.997 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001573489247 958995204 /nfs/dbraw/zinc/99/52/04/958995204.db2.gz BUDWYNIHQTWIAY-CQSZACIVSA-N -1 0 346.774 2.693 20 30 EFEDRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001588561911 959101806 /nfs/dbraw/zinc/10/18/06/959101806.db2.gz AIOHAWPYDCIYOG-ZDUSSCGKSA-N -1 0 340.354 2.947 20 30 EFEDRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001588561909 959102186 /nfs/dbraw/zinc/10/21/86/959102186.db2.gz AIOHAWPYDCIYOG-CYBMUJFWSA-N -1 0 340.354 2.947 20 30 EFEDRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccn1)c1cc(F)cc(C#N)c1 ZINC001588610135 959503100 /nfs/dbraw/zinc/50/31/00/959503100.db2.gz QNWUWYPQCUASMT-UHFFFAOYSA-N -1 0 327.315 2.707 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC001588620215 959539305 /nfs/dbraw/zinc/53/93/05/959539305.db2.gz PBWRPFZHDFLYJT-UHFFFAOYSA-N -1 0 338.367 2.510 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001573668023 959715795 /nfs/dbraw/zinc/71/57/95/959715795.db2.gz QXOBHOAKQLHUGA-AWEZNQCLSA-N -1 0 337.173 2.760 20 30 EFEDRM Cc1c(NC(=O)[C@H](C(=O)[O-])C2CC2)ccc(Br)c1C#N ZINC001594263368 959723880 /nfs/dbraw/zinc/72/38/80/959723880.db2.gz OSBVHZZGOIMSRD-GFCCVEGCSA-N -1 0 337.173 2.679 20 30 EFEDRM Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])ccc(Br)c1C#N ZINC001594266781 959746053 /nfs/dbraw/zinc/74/60/53/959746053.db2.gz NLTKPEVJVZISQM-DTWKUNHWSA-N -1 0 337.173 2.679 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001588650627 959764072 /nfs/dbraw/zinc/76/40/72/959764072.db2.gz NMYLDHOBQMHTAZ-AWEZNQCLSA-N -1 0 333.388 2.990 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-] ZINC001588650628 959764098 /nfs/dbraw/zinc/76/40/98/959764098.db2.gz NMYLDHOBQMHTAZ-CQSZACIVSA-N -1 0 333.388 2.990 20 30 EFEDRM CC(C)(C)CCOc1cnccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001588651641 959773507 /nfs/dbraw/zinc/77/35/07/959773507.db2.gz LZRUHEVFYFOZIF-GOSISDBHSA-N -1 0 347.415 2.517 20 30 EFEDRM C=C(C)CCC(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001123277184 960433882 /nfs/dbraw/zinc/43/38/82/960433882.db2.gz FJQOXTVIAJAQOW-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001574268348 960606105 /nfs/dbraw/zinc/60/61/05/960606105.db2.gz NLVBOULYTCCGFR-CZUORRHYSA-N -1 0 326.396 2.834 20 30 EFEDRM Cc1c(C#N)c(NC(=O)c2cccc(OCC(=O)[O-])c2)n2ccccc12 ZINC001574296122 960694607 /nfs/dbraw/zinc/69/46/07/960694607.db2.gz DLNYNVOVQZAEKA-UHFFFAOYSA-N -1 0 349.346 2.835 20 30 EFEDRM CCC(CC)(CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-] ZINC001573783536 960715700 /nfs/dbraw/zinc/71/57/00/960715700.db2.gz BYMKFAVOXVEOCE-UHFFFAOYSA-N -1 0 334.391 2.982 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574307611 960750148 /nfs/dbraw/zinc/75/01/48/960750148.db2.gz DPGQEVDPKCPIQX-QGZVFWFLSA-N -1 0 334.375 2.999 20 30 EFEDRM CCC(CC)(CNC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000236842460 960772262 /nfs/dbraw/zinc/77/22/62/960772262.db2.gz CUOSVKSMMXBZMN-UHFFFAOYSA-N -1 0 334.441 2.799 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc(OC)c1OC ZINC001263634436 960900035 /nfs/dbraw/zinc/90/00/35/960900035.db2.gz DMCJYMRPYHLZFP-SWLSCSKDSA-N -1 0 347.411 2.806 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC001573818356 960928061 /nfs/dbraw/zinc/92/80/61/960928061.db2.gz AFAITOYVMBHDOM-UGSOOPFHSA-N -1 0 329.400 2.906 20 30 EFEDRM Cc1cc(OC(=O)C2(C(=O)[O-])CCSCC2)c(C)c(C)c1C#N ZINC001574343151 960946672 /nfs/dbraw/zinc/94/66/72/960946672.db2.gz FVPQCBTWRVMNGK-UHFFFAOYSA-N -1 0 333.409 2.987 20 30 EFEDRM C#Cc1cccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC000238180988 961149655 /nfs/dbraw/zinc/14/96/55/961149655.db2.gz JMWIYLKNMGYXSH-UHFFFAOYSA-N -1 0 331.331 2.804 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588758320 961235611 /nfs/dbraw/zinc/23/56/11/961235611.db2.gz OTVKVXFZTMIQRE-HUUCEWRRSA-N -1 0 329.400 2.929 20 30 EFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1 ZINC000254308349 961320509 /nfs/dbraw/zinc/32/05/09/961320509.db2.gz JXSPCPHRBXCMRU-UHFFFAOYSA-N -1 0 330.394 2.876 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001588804288 961460645 /nfs/dbraw/zinc/46/06/45/961460645.db2.gz UMBAYHLBLZDBGW-NEPJUHHUSA-N -1 0 344.289 2.623 20 30 EFEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573918677 961508004 /nfs/dbraw/zinc/50/80/04/961508004.db2.gz BYWQEHJRTKIFIG-UHFFFAOYSA-N -1 0 346.726 2.923 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001573918984 961516369 /nfs/dbraw/zinc/51/63/69/961516369.db2.gz UXFPHDBVZWQXGO-UHFFFAOYSA-N -1 0 341.319 2.640 20 30 EFEDRM CC(C)[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588815073 961560375 /nfs/dbraw/zinc/56/03/75/961560375.db2.gz CCRYUKAFUPOURO-CYBMUJFWSA-N -1 0 327.302 2.530 20 30 EFEDRM CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)[O-] ZINC001573942741 961617658 /nfs/dbraw/zinc/61/76/58/961617658.db2.gz CCDRHYCYBRFJBG-AWEZNQCLSA-N -1 0 340.339 2.730 20 30 EFEDRM N#C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001574474039 961635544 /nfs/dbraw/zinc/63/55/44/961635544.db2.gz IOSLKPJWZJIEEL-LNLATYFQSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574474944 961643257 /nfs/dbraw/zinc/64/32/57/961643257.db2.gz SIDMIVUTEMTPGJ-QFBILLFUSA-N -1 0 348.402 2.970 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574474941 961643295 /nfs/dbraw/zinc/64/32/95/961643295.db2.gz SIDMIVUTEMTPGJ-APWZRJJASA-N -1 0 348.402 2.970 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001573954557 961664610 /nfs/dbraw/zinc/66/46/10/961664610.db2.gz OEMOQWDDFAIQPN-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM N#CC1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC001574481153 961671648 /nfs/dbraw/zinc/67/16/48/961671648.db2.gz VOTRDBRHSYRXIL-JKSUJKDBSA-N -1 0 341.411 2.580 20 30 EFEDRM N#Cc1ccc(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001574485654 961677784 /nfs/dbraw/zinc/67/77/84/961677784.db2.gz JPRNKDDPZLRKII-MSOLQXFVSA-N -1 0 349.390 2.713 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2)nc1 ZINC001574487771 961690332 /nfs/dbraw/zinc/69/03/32/961690332.db2.gz HAXWBWSKRCEENA-MRXNPFEDSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cn2)c1 ZINC001574489008 961699759 /nfs/dbraw/zinc/69/97/59/961699759.db2.gz FJMIXNVUILVGRR-LSDHHAIUSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001574489040 961700626 /nfs/dbraw/zinc/70/06/26/961700626.db2.gz GAPRKSHKLWXHGO-UHFFFAOYSA-N -1 0 342.376 2.572 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574489837 961709001 /nfs/dbraw/zinc/70/90/01/961709001.db2.gz QZXDEGXRDKUMEP-SJORKVTESA-N -1 0 326.396 2.943 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588835469 961764452 /nfs/dbraw/zinc/76/44/52/961764452.db2.gz JPVJMMSZOXAMJD-KSSFIOAISA-N -1 0 344.411 2.675 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991943 961838840 /nfs/dbraw/zinc/83/88/40/961838840.db2.gz YMBBXUZRVMUJDG-MSOLQXFVSA-N -1 0 349.390 2.667 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC001335419128 961920131 /nfs/dbraw/zinc/92/01/31/961920131.db2.gz AUKMQZZXROODPW-ZDUSSCGKSA-N -1 0 335.400 2.719 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851389 961928126 /nfs/dbraw/zinc/92/81/26/961928126.db2.gz CTJOVUSXJMBMSZ-GDBMZVCRSA-N -1 0 329.400 2.592 20 30 EFEDRM CC(C)C[C@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588851965 961935736 /nfs/dbraw/zinc/93/57/36/961935736.db2.gz JCXGFIXGLOUSKH-MRXNPFEDSA-N -1 0 345.443 2.925 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001336090818 961947538 /nfs/dbraw/zinc/94/75/38/961947538.db2.gz LKXWNBYSAKTNCH-DLBZAZTESA-N -1 0 344.411 2.504 20 30 EFEDRM N#Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001571170497 962044244 /nfs/dbraw/zinc/04/42/44/962044244.db2.gz FWWCBIVCWXKHSY-UHFFFAOYSA-N -1 0 326.327 2.645 20 30 EFEDRM N#Cc1c(F)cccc1CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001571171452 962056614 /nfs/dbraw/zinc/05/66/14/962056614.db2.gz YYGLWQSPMPKSKH-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001571171451 962056693 /nfs/dbraw/zinc/05/66/93/962056693.db2.gz YXTSZDZLWDRWSN-UHFFFAOYSA-N -1 0 326.327 2.645 20 30 EFEDRM N#Cc1sccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001571173080 962064991 /nfs/dbraw/zinc/06/49/91/962064991.db2.gz LQLVYFABJNDMHP-UONOGXRCSA-N -1 0 326.377 2.560 20 30 EFEDRM COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])c(F)cc1C#N ZINC001571179244 962133588 /nfs/dbraw/zinc/13/35/88/962133588.db2.gz JVGLYQSGVBJTBP-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM CC(C)C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)[O-] ZINC001588899458 962247726 /nfs/dbraw/zinc/24/77/26/962247726.db2.gz MPEYPURWPAONKX-NSHDSACASA-N -1 0 341.314 2.780 20 30 EFEDRM N#Cc1c(N)sc2c1CCN(Cc1ccc(C(=O)[O-])c(F)c1)C2 ZINC001571199109 962347166 /nfs/dbraw/zinc/34/71/66/962347166.db2.gz UJBYXBLOOHFTJM-UHFFFAOYSA-N -1 0 331.372 2.598 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001588920647 962372225 /nfs/dbraw/zinc/37/22/25/962372225.db2.gz RHEGKSHJXVWKGQ-JKSUJKDBSA-N -1 0 329.400 2.732 20 30 EFEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001574111624 962459305 /nfs/dbraw/zinc/45/93/05/962459305.db2.gz OHTBBXMEENVSMA-QGZVFWFLSA-N -1 0 329.377 2.576 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588936084 962503718 /nfs/dbraw/zinc/50/37/18/962503718.db2.gz HNTFEWDVAVVDRH-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1F ZINC001571216536 962509643 /nfs/dbraw/zinc/50/96/43/962509643.db2.gz VVLIYWIWIWBPOB-AWEZNQCLSA-N -1 0 334.253 2.531 20 30 EFEDRM C#CCCCCn1c(N2CCC(C(=O)[O-])CC2)nnc1C(C)(C)C ZINC001573302187 962645975 /nfs/dbraw/zinc/64/59/75/962645975.db2.gz RKQAESBHALYABN-UHFFFAOYSA-N -1 0 332.448 2.680 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccccc1C(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC001573303576 962678489 /nfs/dbraw/zinc/67/84/89/962678489.db2.gz PNLLRGZWDVZEQW-GOSISDBHSA-N -1 0 349.386 2.741 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001573311430 962701337 /nfs/dbraw/zinc/70/13/37/962701337.db2.gz PXIHYPBICXEGJZ-BQYQJAHWSA-N -1 0 327.311 2.792 20 30 EFEDRM C#Cc1ccccc1CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001573313958 962741747 /nfs/dbraw/zinc/74/17/47/962741747.db2.gz UYCHYLUPINGZLL-UHFFFAOYSA-N -1 0 330.286 2.930 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001573314117 962742766 /nfs/dbraw/zinc/74/27/66/962742766.db2.gz XXJGTHQBOHTHOH-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001573321297 962756692 /nfs/dbraw/zinc/75/66/92/962756692.db2.gz KZSMTMQDFBMXLS-UKRRQHHQSA-N -1 0 333.388 2.557 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1OCC(=O)[O-] ZINC001573324384 962783182 /nfs/dbraw/zinc/78/31/82/962783182.db2.gz RLWWHCJSLRDZAN-UHFFFAOYSA-N -1 0 345.395 2.814 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cn1)C(=O)[O-] ZINC001573324622 962786521 /nfs/dbraw/zinc/78/65/21/962786521.db2.gz VYQQYILRQCPCRU-QGZVFWFLSA-N -1 0 340.379 2.810 20 30 EFEDRM C=C(C)C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC001573324648 962788905 /nfs/dbraw/zinc/78/89/05/962788905.db2.gz WOZWMHWJUUNUBN-CQSZACIVSA-N -1 0 326.312 2.846 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)c1ccccc1 ZINC001517434829 962797978 /nfs/dbraw/zinc/79/79/78/962797978.db2.gz UMNPWLHZHGSSAT-SQNIBIBYSA-N -1 0 345.439 2.980 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001517450345 962807243 /nfs/dbraw/zinc/80/72/43/962807243.db2.gz YKVYEWLZMQDZJV-RNODOKPDSA-N -1 0 334.375 2.670 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001517450343 962807458 /nfs/dbraw/zinc/80/74/58/962807458.db2.gz YKVYEWLZMQDZJV-RBZFPXEDSA-N -1 0 334.375 2.670 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001573332209 962827700 /nfs/dbraw/zinc/82/77/00/962827700.db2.gz FLRFVLAUPYDEMF-SNVBAGLBSA-N -1 0 349.774 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](COC)c1ccc(Cl)cc1 ZINC001573332981 962848544 /nfs/dbraw/zinc/84/85/44/962848544.db2.gz SKEVXFCCFPPWHY-CYBMUJFWSA-N -1 0 325.792 2.607 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Br)c(F)c1 ZINC001573333045 962849896 /nfs/dbraw/zinc/84/98/96/962849896.db2.gz SVCMQBXYGFKZIL-UHFFFAOYSA-N -1 0 330.153 2.625 20 30 EFEDRM C=C(CNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001573338644 962877845 /nfs/dbraw/zinc/87/78/45/962877845.db2.gz FNJSAAUJGRCNRX-UHFFFAOYSA-N -1 0 345.786 2.946 20 30 EFEDRM C=C(Cl)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573343844 962909273 /nfs/dbraw/zinc/90/92/73/962909273.db2.gz KDTCOLFBYQUOLS-GFCCVEGCSA-N -1 0 326.828 2.530 20 30 EFEDRM C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573344392 962918477 /nfs/dbraw/zinc/91/84/77/962918477.db2.gz VSNBPIPGYAOISY-SNVBAGLBSA-N -1 0 326.828 2.845 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001573348658 962959927 /nfs/dbraw/zinc/95/99/27/962959927.db2.gz ZEIQRBKBPBJDAT-UHFFFAOYSA-N -1 0 347.415 2.615 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001573353485 963002173 /nfs/dbraw/zinc/00/21/73/963002173.db2.gz WVSLGGQJPCDRQO-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCCC[C@@H](C(=O)NC[C@@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001573357114 963013484 /nfs/dbraw/zinc/01/34/84/963013484.db2.gz JNIAFDWPQLUZMF-APWZRJJASA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCCC[C@H](NC(=O)C1=Cc2cccc(OCC)c2OC1)C(=O)[O-] ZINC001573357752 963019978 /nfs/dbraw/zinc/01/99/78/963019978.db2.gz RUXSQPTYRYWODX-HNNXBMFYSA-N -1 0 345.395 2.787 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001573358322 963026074 /nfs/dbraw/zinc/02/60/74/963026074.db2.gz YJDBKODHOKNUMK-GFCCVEGCSA-N -1 0 333.281 2.982 20 30 EFEDRM C=CCCSCCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001573360446 963038228 /nfs/dbraw/zinc/03/82/28/963038228.db2.gz PBRXZAHWEQHZDF-HZPDHXFCSA-N -1 0 348.468 2.806 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2cc(O)ccc2nc1C)C(=O)[O-] ZINC001573366457 963059795 /nfs/dbraw/zinc/05/97/95/963059795.db2.gz MJHZMYOYGJQQPJ-MRXNPFEDSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000315336783 963883691 /nfs/dbraw/zinc/88/36/91/963883691.db2.gz BOVPRUIMIZQIEX-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C#CCCCCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588442748 964058312 /nfs/dbraw/zinc/05/83/12/964058312.db2.gz WQDMCZPBUNNQRV-UHFFFAOYSA-N -1 0 328.368 2.776 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588443633 964062779 /nfs/dbraw/zinc/06/27/79/964062779.db2.gz VDLLHQRJDZITJG-GUYCJALGSA-N -1 0 331.420 2.562 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001588446905 964079949 /nfs/dbraw/zinc/07/99/49/964079949.db2.gz NAPHJUQZEQLHAF-HNNXBMFYSA-N -1 0 344.459 2.725 20 30 EFEDRM CC#CCCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000232454896 967743372 /nfs/dbraw/zinc/74/33/72/967743372.db2.gz ZWZVRJBYPRBPQD-UHFFFAOYSA-N -1 0 325.162 2.682 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC(=O)[O-])C2CCC2)cc1OC ZINC000848455849 969262794 /nfs/dbraw/zinc/26/27/94/969262794.db2.gz GOBCWOPSEBEOIE-NTMALXAHSA-N -1 0 345.395 2.739 20 30 EFEDRM CC(C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC000902028835 969509645 /nfs/dbraw/zinc/50/96/45/969509645.db2.gz YYPSMIQTVLGZCO-MRXNPFEDSA-N -1 0 328.412 2.843 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001121921112 969683919 /nfs/dbraw/zinc/68/39/19/969683919.db2.gz ONEZMAUKJMSSJD-OIISXLGYSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001121921111 969684011 /nfs/dbraw/zinc/68/40/11/969684011.db2.gz ONEZMAUKJMSSJD-DJIMGWMZSA-N -1 0 330.428 2.926 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)NCCCCCC(=O)[O-])c1C#N ZINC001604971184 972558947 /nfs/dbraw/zinc/55/89/47/972558947.db2.gz NSGJUQSTJBDQEF-UHFFFAOYSA-N -1 0 347.440 2.927 20 30 EFEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001604999056 972596973 /nfs/dbraw/zinc/59/69/73/972596973.db2.gz GDSFXLULSYXQKE-IAQYHMDHSA-N -1 0 339.351 2.681 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001605101766 972752990 /nfs/dbraw/zinc/75/29/90/972752990.db2.gz BJVHXHVGGHDCQH-QGZVFWFLSA-N -1 0 348.362 2.525 20 30 EFEDRM O=C([O-])C1(C(=O)N(O)Cc2ccccc2Cl)CCSCC1 ZINC001605910023 972770131 /nfs/dbraw/zinc/77/01/31/972770131.db2.gz MRWKAAKBFZBTLI-UHFFFAOYSA-N -1 0 329.805 2.656 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605146251 972827226 /nfs/dbraw/zinc/82/72/26/972827226.db2.gz YLEUKVRYAWTPFA-AWEZNQCLSA-N -1 0 328.290 2.635 20 30 EFEDRM Cc1cc(F)c(Br)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605179140 972890840 /nfs/dbraw/zinc/89/08/40/972890840.db2.gz JQLGNQJGTPDVCE-CYBMUJFWSA-N -1 0 343.152 2.840 20 30 EFEDRM C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC001603438594 973206358 /nfs/dbraw/zinc/20/63/58/973206358.db2.gz CIFWNGYTGKSLCQ-XHDPSFHLSA-N -1 0 332.375 2.544 20 30 EFEDRM Cc1ccccc1NC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC1 ZINC001605356243 973269687 /nfs/dbraw/zinc/26/96/87/973269687.db2.gz GEVJKFMDXFCMOS-SFHVURJKSA-N -1 0 343.427 2.841 20 30 EFEDRM Cc1nc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c(Cl)cc1C#N ZINC001605410655 973411772 /nfs/dbraw/zinc/41/17/72/973411772.db2.gz CQXDWJJTFOIJLS-BGMSHATGSA-N -1 0 335.791 2.739 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1C(=O)[O-] ZINC001605454605 973537491 /nfs/dbraw/zinc/53/74/91/973537491.db2.gz HDFABGODSJPKOJ-UHFFFAOYSA-N -1 0 349.346 2.879 20 30 EFEDRM CCC(CC)(CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(=O)[O-] ZINC001603540021 973592295 /nfs/dbraw/zinc/59/22/95/973592295.db2.gz GAIHPXLQALLWBL-UHFFFAOYSA-N -1 0 343.383 2.871 20 30 EFEDRM Cn1nccc1[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC001605567236 973811886 /nfs/dbraw/zinc/81/18/86/973811886.db2.gz BDQOUPFXUNNKNV-IBGZPJMESA-N -1 0 346.390 2.874 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC001603594554 973825327 /nfs/dbraw/zinc/82/53/27/973825327.db2.gz ZFFSAQHIOGDWBS-MRXNPFEDSA-N -1 0 336.338 2.753 20 30 EFEDRM N#C[C@@H](C(=O)c1cccc(OCC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001605575577 973838982 /nfs/dbraw/zinc/83/89/82/973838982.db2.gz ABVKIZAENHTQEN-ZDUSSCGKSA-N -1 0 335.319 2.516 20 30 EFEDRM N#CC1(CCC[S@@](=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC001605576072 973843452 /nfs/dbraw/zinc/84/34/52/973843452.db2.gz JHJDNBLXYMCASG-HSZRJFAPSA-N -1 0 335.425 2.734 20 30 EFEDRM N#C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001605576464 973847730 /nfs/dbraw/zinc/84/77/30/973847730.db2.gz NYIJPQBOISKMPH-NWDGAFQWSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001605576466 973847760 /nfs/dbraw/zinc/84/77/60/973847760.db2.gz NYIJPQBOISKMPH-VXGBXAGGSA-N -1 0 327.167 2.785 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001605576716 973851372 /nfs/dbraw/zinc/85/13/72/973851372.db2.gz SHXVQQIDHLIRAD-SJORKVTESA-N -1 0 328.412 2.862 20 30 EFEDRM N#Cc1c(NC(=O)C2(CC(=O)[O-])CCOCC2)sc2c1CCCC2 ZINC001605590998 973886214 /nfs/dbraw/zinc/88/62/14/973886214.db2.gz SLANBCSZLYZNKE-UHFFFAOYSA-N -1 0 348.424 2.709 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)co1 ZINC001605592061 973892845 /nfs/dbraw/zinc/89/28/45/973892845.db2.gz RLJVAMZFNOVHCY-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])cnc1C(F)(F)F ZINC001605592113 973893017 /nfs/dbraw/zinc/89/30/17/973893017.db2.gz VQPDNATUQQHGFI-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCc3ccc(C(=O)[O-])cc3)on2)c1 ZINC001605617416 973932344 /nfs/dbraw/zinc/93/23/44/973932344.db2.gz BCWYGZNDGDDCFV-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603641265 973989017 /nfs/dbraw/zinc/98/90/17/973989017.db2.gz XXANCNMURDWJFE-MPGHIAIKSA-N -1 0 340.464 2.726 20 30 EFEDRM CCOc1cccc(/C=N/C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1O ZINC001603875720 974377061 /nfs/dbraw/zinc/37/70/61/974377061.db2.gz LDSQHNSDHKRZAK-DLOPEWQWSA-N -1 0 333.384 2.622 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001603934472 974421558 /nfs/dbraw/zinc/42/15/58/974421558.db2.gz FPAOHXPTKNALDE-UFBFGSQYSA-N -1 0 339.189 2.550 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001603969308 974456533 /nfs/dbraw/zinc/45/65/33/974456533.db2.gz GVJASARABWLLDL-GOSISDBHSA-N -1 0 325.339 2.682 20 30 EFEDRM CC(C)OCCOC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001591726215 975682524 /nfs/dbraw/zinc/68/25/24/975682524.db2.gz JJRJDWSQIPXQEJ-UHFFFAOYSA-N -1 0 346.427 2.662 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2ccc(C#N)cn2)cccc1C(=O)[O-] ZINC001591746457 975785018 /nfs/dbraw/zinc/78/50/18/975785018.db2.gz LAXTYDZXQUCQMK-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001591759283 975840257 /nfs/dbraw/zinc/84/02/57/975840257.db2.gz WJNIOMBMJFGDJS-UHFFFAOYSA-N -1 0 331.372 2.720 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)Cc2ccc(C#N)nc2)c(C(=O)[O-])c1 ZINC001591786363 975954806 /nfs/dbraw/zinc/95/48/06/975954806.db2.gz DJSUCOUCIVIFLP-UHFFFAOYSA-N -1 0 339.351 2.620 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)c(C(=O)[O-])c1 ZINC001591786519 975956520 /nfs/dbraw/zinc/95/65/20/975956520.db2.gz GADOIUHYADYWTG-LBPRGKRZSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1C#N ZINC001591787867 975964767 /nfs/dbraw/zinc/96/47/67/975964767.db2.gz GEJXAFBFNIIYTB-KGLIPLIRSA-N -1 0 331.372 2.720 20 30 EFEDRM C[C@@H](CC#Cc1cccnc1)OC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592212366 977267770 /nfs/dbraw/zinc/26/77/70/977267770.db2.gz QQNWODAHPYYDLI-YCMKEVRSSA-N -1 0 327.380 2.790 20 30 EFEDRM C[C@H](CC#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001592213636 977274103 /nfs/dbraw/zinc/27/41/03/977274103.db2.gz ZEMWEFBXCIWZQV-BXKDBHETSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@H](CC#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001592213639 977274463 /nfs/dbraw/zinc/27/44/63/977274463.db2.gz ZEMWEFBXCIWZQV-SKDRFNHKSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001592221575 977400767 /nfs/dbraw/zinc/40/07/67/977400767.db2.gz KWLOCMKBLJJHKF-ZCFIWIBFSA-N -1 0 344.140 2.710 20 30 EFEDRM C[C@H](CC#N)N(C)Cc1cccc(C(=O)[O-])c1CN(C)[C@@H](C)CC#N ZINC001592222535 977408459 /nfs/dbraw/zinc/40/84/59/977408459.db2.gz YBQYEEYDNIOQDN-CABCVRRESA-N -1 0 342.443 2.853 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1cccnc1 ZINC001592289030 977603675 /nfs/dbraw/zinc/60/36/75/977603675.db2.gz BDHJKXVBLIDCRI-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1ccccn1 ZINC001592298097 977644116 /nfs/dbraw/zinc/64/41/16/977644116.db2.gz QXHHLYCNPIRCIK-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC001592304084 977661685 /nfs/dbraw/zinc/66/16/85/977661685.db2.gz JFDWEOUTTFVYHJ-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM N#Cc1ccc(Br)cc1NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715279014 977721770 /nfs/dbraw/zinc/72/17/70/977721770.db2.gz UVKXZZASDLKQNY-WPRPVWTQSA-N -1 0 331.116 2.699 20 30 EFEDRM C[C@@H](CCC#N)c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1CC1CC1 ZINC001592470156 978218128 /nfs/dbraw/zinc/21/81/28/978218128.db2.gz DSPIVQVKHVRCKA-KCQAQPDRSA-N -1 0 345.447 2.642 20 30 EFEDRM CC(C)CN(CC(=O)[O-])CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000737622511 978424421 /nfs/dbraw/zinc/42/44/21/978424421.db2.gz CHMCOHGOJMDGBL-GFCCVEGCSA-N -1 0 345.424 2.515 20 30 EFEDRM CC(C)CN(CC(=O)[O-])CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000737622515 978424535 /nfs/dbraw/zinc/42/45/35/978424535.db2.gz CHMCOHGOJMDGBL-LBPRGKRZSA-N -1 0 345.424 2.515 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1ccc(OCC#N)cc1 ZINC000738169001 978494682 /nfs/dbraw/zinc/49/46/82/978494682.db2.gz QNJHSJUWLMAJRS-UHFFFAOYSA-N -1 0 328.324 2.589 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000781957218 978791093 /nfs/dbraw/zinc/79/10/93/978791093.db2.gz FKYMIFVXYVPODJ-LLVKDONJSA-N -1 0 327.377 2.562 20 30 EFEDRM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000782177965 978791802 /nfs/dbraw/zinc/79/18/02/978791802.db2.gz XKGCDZZRDPAUEF-UHFFFAOYSA-N -1 0 338.367 2.751 20 30 EFEDRM O=C([O-])Cn1cc(CN=Nc2ccc(Cl)nn2)c2ccccc21 ZINC000799866496 978841521 /nfs/dbraw/zinc/84/15/21/978841521.db2.gz IRZQOJXDHSJEKC-UHFFFAOYSA-N -1 0 329.747 2.615 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2cn(CC(=O)[O-])c3ccccc23)n1 ZINC000799882254 978844583 /nfs/dbraw/zinc/84/45/83/978844583.db2.gz JTEMKNJOHANVOS-UHFFFAOYSA-N -1 0 343.774 2.924 20 30 EFEDRM CC1(C)C[C@H](NN=Cc2cn(CC(=O)[O-])c3ccccc23)CCO1 ZINC000799886165 978845123 /nfs/dbraw/zinc/84/51/23/978845123.db2.gz VNJCHABCYPMQQU-CQSZACIVSA-N -1 0 329.400 2.607 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1cccc(C(=O)[O-])c1 ZINC000814687879 978872726 /nfs/dbraw/zinc/87/27/26/978872726.db2.gz XKYGXDQUQGTULY-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814770471 978882993 /nfs/dbraw/zinc/88/29/93/978882993.db2.gz GKDQSTBOVUOMAU-RYUDHWBXSA-N -1 0 342.399 2.705 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCc2ccc(F)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814786079 978885209 /nfs/dbraw/zinc/88/52/09/978885209.db2.gz TYQMTMMNWUNOOK-ZYHUDNBSSA-N -1 0 337.420 2.667 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cc(C(=O)[O-])cs1 ZINC000814802804 978886381 /nfs/dbraw/zinc/88/63/81/978886381.db2.gz WBGCFNVDDHTUGS-UHFFFAOYSA-N -1 0 338.410 2.686 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814831990 978890089 /nfs/dbraw/zinc/89/00/89/978890089.db2.gz ZRZHBHMHKAWPMI-AAEUAGOBSA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccn3)s2)CC[C@H]1CC(=O)[O-] ZINC000814911140 978898161 /nfs/dbraw/zinc/89/81/61/978898161.db2.gz ULXQNFMZAHGZRJ-UWVGGRQHSA-N -1 0 331.401 2.889 20 30 EFEDRM COCc1nc(Cl)cc(N=NC(C)c2cc(C(=O)[O-])cs2)n1 ZINC000814979175 978900089 /nfs/dbraw/zinc/90/00/89/978900089.db2.gz JWHKYXIHWQQQKF-UHFFFAOYSA-N -1 0 340.792 2.872 20 30 EFEDRM COCc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)n1 ZINC000814977918 978900203 /nfs/dbraw/zinc/90/02/03/978900203.db2.gz HYEMRUZMQFTQGP-RKDXNWHRSA-N -1 0 326.784 2.565 20 30 EFEDRM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000825804263 978941533 /nfs/dbraw/zinc/94/15/33/978941533.db2.gz BXKOHOZPELGQPP-UHFFFAOYSA-N -1 0 345.399 2.912 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000829075043 978993014 /nfs/dbraw/zinc/99/30/14/978993014.db2.gz GZWPKJVAXWCXQH-UHFFFAOYSA-N -1 0 339.413 2.551 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc(OC)c1OC ZINC000831861029 979035229 /nfs/dbraw/zinc/03/52/29/979035229.db2.gz KUVKFQHKVZCALU-ALCCZGGFSA-N -1 0 331.324 2.635 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C\c3ccc(C(=O)[O-])[nH]3)S2)c1 ZINC000832971410 979062658 /nfs/dbraw/zinc/06/26/58/979062658.db2.gz YWSLHLXOUTZHIE-MDWZMJQESA-N -1 0 327.365 2.913 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(F)c(F)c2F)C(=O)[O-])cc1 ZINC000833072907 979077450 /nfs/dbraw/zinc/07/74/50/979077450.db2.gz SEXKSVPJVMCHLH-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595030198 979165001 /nfs/dbraw/zinc/16/50/01/979165001.db2.gz LMSQSRNUXNOJPL-NSHDSACASA-N -1 0 325.162 2.569 20 30 EFEDRM CC[C@H](CC#N)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595030360 979167132 /nfs/dbraw/zinc/16/71/32/979167132.db2.gz PCIJRNQPFNOADH-NEPJUHHUSA-N -1 0 343.305 2.980 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833538880 979200973 /nfs/dbraw/zinc/20/09/73/979200973.db2.gz ATHLGVCXIWROCJ-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833760148 979237927 /nfs/dbraw/zinc/23/79/27/979237927.db2.gz HLHQWLJONQDZRY-UHFFFAOYSA-N -1 0 337.379 2.655 20 30 EFEDRM C[C@@](CNc1cccc(C#N)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592730933 979252342 /nfs/dbraw/zinc/25/23/42/979252342.db2.gz ZYUHFOZRCWNKSW-KRWDZBQOSA-N -1 0 325.324 2.921 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000836750888 979254451 /nfs/dbraw/zinc/25/44/51/979254451.db2.gz HXTSNAIZDHZLBH-SNVBAGLBSA-N -1 0 349.330 2.684 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000836750814 979254514 /nfs/dbraw/zinc/25/45/14/979254514.db2.gz BSYPXSXZTPYYGX-JXMNSVBMSA-N -1 0 331.412 2.769 20 30 EFEDRM C=CCOC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000836750816 979254804 /nfs/dbraw/zinc/25/48/04/979254804.db2.gz BSYPXSXZTPYYGX-YCABEKBOSA-N -1 0 331.412 2.769 20 30 EFEDRM C=CCOC[C@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000836750813 979254832 /nfs/dbraw/zinc/25/48/32/979254832.db2.gz BSYPXSXZTPYYGX-CLOOOTJHSA-N -1 0 331.412 2.769 20 30 EFEDRM CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000848414356 979466998 /nfs/dbraw/zinc/46/69/98/979466998.db2.gz MSZGMXKRDUQSSV-UHFFFAOYSA-N -1 0 347.415 2.968 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000851650270 979561883 /nfs/dbraw/zinc/56/18/83/979561883.db2.gz AENCIVYERVLSSS-SFHVURJKSA-N -1 0 342.439 2.907 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000851650269 979562108 /nfs/dbraw/zinc/56/21/08/979562108.db2.gz AENCIVYERVLSSS-GOSISDBHSA-N -1 0 342.439 2.907 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592834183 979573514 /nfs/dbraw/zinc/57/35/14/979573514.db2.gz MCGYVEDEKUTZFU-LBPRGKRZSA-N -1 0 340.354 2.891 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592834824 979580236 /nfs/dbraw/zinc/58/02/36/979580236.db2.gz YEQCAXXKAFIVJA-DYVFJYSZSA-N -1 0 328.412 2.887 20 30 EFEDRM O=C([O-])c1cccc([N-][NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853258421 979604784 /nfs/dbraw/zinc/60/47/84/979604784.db2.gz OMMUSTYPRWNVFB-UHFFFAOYSA-N -1 0 339.395 2.792 20 30 EFEDRM CC[C@@](CNC(=O)N1CCC(C)(C#N)CC1)(C(=O)[O-])c1ccccc1 ZINC001595146489 979620053 /nfs/dbraw/zinc/62/00/53/979620053.db2.gz FOWIANRNGKPECZ-IBGZPJMESA-N -1 0 343.427 2.754 20 30 EFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1sccc1CC#N)C(=O)[O-] ZINC001592846896 979622571 /nfs/dbraw/zinc/62/25/71/979622571.db2.gz DLIIEIMDWKFBOM-KRWDZBQOSA-N -1 0 346.383 2.769 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(CC#N)cc1)C(=O)[O-] ZINC001592847334 979624718 /nfs/dbraw/zinc/62/47/18/979624718.db2.gz GHELADAFQKCVAY-LJQANCHMSA-N -1 0 340.354 2.708 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864145584 979750575 /nfs/dbraw/zinc/75/05/75/979750575.db2.gz JWRUYAMNKNKIAR-QGZVFWFLSA-N -1 0 345.370 2.684 20 30 EFEDRM C=CCOCCCC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864195229 979856059 /nfs/dbraw/zinc/85/60/59/979856059.db2.gz BKAAQDLZVFQNQQ-KRWDZBQOSA-N -1 0 339.819 2.825 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1OC ZINC000864197474 979865517 /nfs/dbraw/zinc/86/55/17/979865517.db2.gz CUNKJZBWMOEVFG-SFHVURJKSA-N -1 0 333.384 2.633 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000872001477 980036232 /nfs/dbraw/zinc/03/62/32/980036232.db2.gz VQSWNIXBDWJBDI-UHFFFAOYSA-N -1 0 325.430 2.797 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000872703799 980082223 /nfs/dbraw/zinc/08/22/23/980082223.db2.gz KBHKOMCURCMNFL-LSDHHAIUSA-N -1 0 335.375 2.610 20 30 EFEDRM C[C@@](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)(C(=O)[O-])C1CC1 ZINC001592997834 980206005 /nfs/dbraw/zinc/20/60/05/980206005.db2.gz FNRXHDCFUAYVNV-SFHVURJKSA-N -1 0 326.396 2.740 20 30 EFEDRM C=CCCC[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000898860787 980224909 /nfs/dbraw/zinc/22/49/09/980224909.db2.gz HUQQEQRRZUVJBF-HZPDHXFCSA-N -1 0 332.400 2.579 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)cc1 ZINC000899407452 980228760 /nfs/dbraw/zinc/22/87/60/980228760.db2.gz SISMMCKPOPAQIN-TWGQIWQCSA-N -1 0 326.352 2.968 20 30 EFEDRM C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593011055 980245001 /nfs/dbraw/zinc/24/50/01/980245001.db2.gz LZZQLRWNGMZKOZ-JYESYGNLSA-N -1 0 327.365 2.604 20 30 EFEDRM CN(C)c1ncc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)n1C ZINC000901527902 980355168 /nfs/dbraw/zinc/35/51/68/980355168.db2.gz VRBFPXZNVOPJTH-JLHYYAGUSA-N -1 0 339.395 2.787 20 30 EFEDRM CC[C@@](NCc1c(C#N)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298486 980417669 /nfs/dbraw/zinc/41/76/69/980417669.db2.gz MRAWEGVNGMHBKC-SFHVURJKSA-N -1 0 339.351 2.946 20 30 EFEDRM C=CCOC[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000901808255 980529625 /nfs/dbraw/zinc/52/96/25/980529625.db2.gz BVEPISMEKSOESL-AWEZNQCLSA-N -1 0 336.388 2.695 20 30 EFEDRM N#C[C@]1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC2CCC1CC2 ZINC000902069796 980719610 /nfs/dbraw/zinc/71/96/10/980719610.db2.gz OVQFWQKPILYLDJ-OGCXIMQWSA-N -1 0 338.407 2.917 20 30 EFEDRM CC[C@@]1(CNc2ccc(C(=O)[O-])nc2C#N)OCCc2ccccc21 ZINC001595379772 980920460 /nfs/dbraw/zinc/92/04/60/980920460.db2.gz UPIRGLAVHLGUOZ-IBGZPJMESA-N -1 0 337.379 2.942 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000903059053 980958105 /nfs/dbraw/zinc/95/81/05/980958105.db2.gz LLVPTWORLWAZHN-ZDUSSCGKSA-N -1 0 331.821 2.569 20 30 EFEDRM CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001595414126 981020144 /nfs/dbraw/zinc/02/01/44/981020144.db2.gz YWANBADVUJWSQI-XGWLTEMNSA-N -1 0 331.368 2.822 20 30 EFEDRM CC[C@](C)(C#N)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001594777607 981769348 /nfs/dbraw/zinc/76/93/48/981769348.db2.gz BWDDPMQCRJOCAF-QGZVFWFLSA-N -1 0 328.324 2.532 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC001594782439 981790573 /nfs/dbraw/zinc/79/05/73/981790573.db2.gz PNLFXJMQXAEEOW-DJJJIMSYSA-N -1 0 344.411 2.817 20 30 EFEDRM CCCC[C@H](ON=C(C)C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001595651167 982018885 /nfs/dbraw/zinc/01/88/85/982018885.db2.gz CMUJNGYQYCXLTD-ZDUSSCGKSA-N -1 0 338.408 2.613 20 30 EFEDRM CC[C@](C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001594846589 982068096 /nfs/dbraw/zinc/06/80/96/982068096.db2.gz GVPQAUFIJCGSLM-SFHVURJKSA-N -1 0 342.351 2.713 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594883933 982257824 /nfs/dbraw/zinc/25/78/24/982257824.db2.gz DSFORUGTENWMJV-IINYFYTJSA-N -1 0 327.302 2.672 20 30 EFEDRM CCCCCCCCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001595705235 982283536 /nfs/dbraw/zinc/28/35/36/982283536.db2.gz SHIWEWXZDRJQID-KRWDZBQOSA-N -1 0 339.436 2.752 20 30 EFEDRM CCCCCCCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595705391 982284684 /nfs/dbraw/zinc/28/46/84/982284684.db2.gz YRIXBKOEGORHOE-CQSZACIVSA-N -1 0 336.436 2.890 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)CSc1cccc(Cl)c1C#N)C(=O)[O-] ZINC001594901382 982355398 /nfs/dbraw/zinc/35/53/98/982355398.db2.gz GJPCBMNWRDLIMT-YMTOWFKASA-N -1 0 340.832 2.919 20 30 EFEDRM CCCCN1C(=O)N[C@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001595749522 982425144 /nfs/dbraw/zinc/42/51/44/982425144.db2.gz KPOAFRUKJFAWDA-OAHLLOKOSA-N -1 0 331.347 2.922 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C(=O)[O-])cc1 ZINC000923065561 982704016 /nfs/dbraw/zinc/70/40/16/982704016.db2.gz PLPJFIRQVXRYDH-HNAYVOBHSA-N -1 0 326.396 2.754 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001594975439 982749480 /nfs/dbraw/zinc/74/94/80/982749480.db2.gz IXULMMHPKDDVPL-NSHDSACASA-N -1 0 327.340 2.539 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc(OC)c1OC ZINC000923145693 982753077 /nfs/dbraw/zinc/75/30/77/982753077.db2.gz PEHGNHCEOCRLSZ-KUHUBIRLSA-N -1 0 345.395 2.512 20 30 EFEDRM C=CCO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001118318619 982953131 /nfs/dbraw/zinc/95/31/31/982953131.db2.gz GZSGSWOEYMYRIG-KGLIPLIRSA-N -1 0 340.217 2.852 20 30 EFEDRM Cc1c(NN=Cc2c3c(nn2C)CCSC3)cccc1C(=O)[O-] ZINC001119298859 982976339 /nfs/dbraw/zinc/97/63/39/982976339.db2.gz MIHWOGXZNXWYLA-UHFFFAOYSA-N -1 0 330.413 2.662 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(-c2ccc(F)c(C)c2)nc1C)C(=O)[O-] ZINC001573303732 983040265 /nfs/dbraw/zinc/04/02/65/983040265.db2.gz RGLMKRYHZKILEZ-ZDUSSCGKSA-N -1 0 346.383 2.772 20 30 EFEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001595937189 983082757 /nfs/dbraw/zinc/08/27/57/983082757.db2.gz XOYUQYPSZVSJDP-UHFFFAOYSA-N -1 0 327.340 2.853 20 30 EFEDRM CCCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595973988 983197453 /nfs/dbraw/zinc/19/74/53/983197453.db2.gz GSTCGLLDIWIHTC-INIZCTEOSA-N -1 0 340.335 2.725 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCc3cccc(C(=O)[O-])c3)on2)c1 ZINC001574797142 983276732 /nfs/dbraw/zinc/27/67/32/983276732.db2.gz HQEIRLOFZGVEEY-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588369344 983313730 /nfs/dbraw/zinc/31/37/30/983313730.db2.gz IVVBECTVQSZMFD-NWDGAFQWSA-N -1 0 335.429 2.532 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588369464 983314142 /nfs/dbraw/zinc/31/41/42/983314142.db2.gz MNJRBIFVBPKYLU-HOTGVXAUSA-N -1 0 328.412 2.906 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588369420 983314264 /nfs/dbraw/zinc/31/42/64/983314264.db2.gz LGRHRZQGLDLVNJ-OWCLPIDISA-N -1 0 348.830 2.952 20 30 EFEDRM C#C[C@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001588369595 983315547 /nfs/dbraw/zinc/31/55/47/983315547.db2.gz QQUFFEWHALGIKG-CQSZACIVSA-N -1 0 341.363 2.871 20 30 EFEDRM C#C[C@H](CC)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588369852 983318146 /nfs/dbraw/zinc/31/81/46/983318146.db2.gz YYMDRAAOTOZNFK-SSDOTTSWSA-N -1 0 343.152 2.820 20 30 EFEDRM C#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001588372511 983331884 /nfs/dbraw/zinc/33/18/84/983331884.db2.gz MEULRNJSCLXMRL-QGZVFWFLSA-N -1 0 332.359 2.830 20 30 EFEDRM C#C[C@@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001588372718 983333626 /nfs/dbraw/zinc/33/36/26/983333626.db2.gz RDMIHTWTPGNTCF-CQSZACIVSA-N -1 0 345.786 2.506 20 30 EFEDRM C#C[C@H](NC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001588372717 983333664 /nfs/dbraw/zinc/33/36/64/983333664.db2.gz RDMIHTWTPGNTCF-AWEZNQCLSA-N -1 0 345.786 2.506 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001588372843 983334382 /nfs/dbraw/zinc/33/43/82/983334382.db2.gz UTUFXFHZBPPAPJ-GPMSIDNRSA-N -1 0 326.396 2.647 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001588372904 983334920 /nfs/dbraw/zinc/33/49/20/983334920.db2.gz VMTCNMSTLRBGRK-NILFDRSVSA-N -1 0 334.803 2.767 20 30 EFEDRM C#C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC001588373044 983336111 /nfs/dbraw/zinc/33/61/11/983336111.db2.gz YVGXZYVQMKDEDJ-ABSDTBQOSA-N -1 0 337.350 2.875 20 30 EFEDRM C#C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(Cl)cc1 ZINC001588374212 983342091 /nfs/dbraw/zinc/34/20/91/983342091.db2.gz REFMWJDBKWKPJK-RRFJBIMHSA-N -1 0 335.787 2.543 20 30 EFEDRM C#CC1(F)CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001588375532 983345097 /nfs/dbraw/zinc/34/50/97/983345097.db2.gz AVUACFUESLHNNO-UHFFFAOYSA-N -1 0 336.388 2.584 20 30 EFEDRM C#C[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588375513 983345308 /nfs/dbraw/zinc/34/53/08/983345308.db2.gz AAHXIGHMHRUSDP-CYBMUJFWSA-N -1 0 329.287 2.922 20 30 EFEDRM C#C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@H]1CCCO1 ZINC001588377945 983359952 /nfs/dbraw/zinc/35/99/52/983359952.db2.gz SNIWGVDCAMOYLX-RBUKOAKNSA-N -1 0 349.386 2.962 20 30 EFEDRM CCCc1cc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)cc(=O)[nH]1 ZINC001596056963 983362623 /nfs/dbraw/zinc/36/26/23/983362623.db2.gz PECRAHGAZUZEPT-UHFFFAOYSA-N -1 0 339.347 2.646 20 30 EFEDRM C#C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001588382790 983374788 /nfs/dbraw/zinc/37/47/88/983374788.db2.gz JAOPZTQDCMBTLV-AWEZNQCLSA-N -1 0 341.411 2.862 20 30 EFEDRM C#CCC(C)(C)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588383756 983383870 /nfs/dbraw/zinc/38/38/70/983383870.db2.gz JNXZGMGTLPVAEQ-NSHDSACASA-N -1 0 341.329 2.655 20 30 EFEDRM C#CCC(C)(C)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588383949 983385955 /nfs/dbraw/zinc/38/59/55/983385955.db2.gz QFXJVNMVCHBROQ-UONOGXRCSA-N -1 0 335.350 2.641 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588390500 983394879 /nfs/dbraw/zinc/39/48/79/983394879.db2.gz WJNYWTHVHZHMLO-HKUYNNGSSA-N -1 0 337.419 2.729 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001588394325 983402422 /nfs/dbraw/zinc/40/24/22/983402422.db2.gz KRGLJZDWLFLXEI-CQSZACIVSA-N -1 0 327.405 2.740 20 30 EFEDRM C#CC[C@H](NC(=O)C1(Sc2ccc(C)cc2)CCCC1)C(=O)[O-] ZINC001588398513 983413226 /nfs/dbraw/zinc/41/32/26/983413226.db2.gz KSRVMBROCGASIT-HNNXBMFYSA-N -1 0 331.437 2.993 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC001588405787 983422873 /nfs/dbraw/zinc/42/28/73/983422873.db2.gz JFQMEUUJSDHWDZ-OAHLLOKOSA-N -1 0 329.396 2.558 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001588408057 983430323 /nfs/dbraw/zinc/43/03/23/983430323.db2.gz WCSZXEGFAVPUGA-KSSFIOAISA-N -1 0 337.375 2.714 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001588413546 983431155 /nfs/dbraw/zinc/43/11/55/983431155.db2.gz AREKTXPBZHHFGN-HNNXBMFYSA-N -1 0 345.301 2.963 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl)C(=O)[O-] ZINC001588414044 983432935 /nfs/dbraw/zinc/43/29/35/983432935.db2.gz NBVOAAYCQCZTKC-MRXNPFEDSA-N -1 0 344.798 2.954 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001588414455 983434194 /nfs/dbraw/zinc/43/41/94/983434194.db2.gz SZVQOAVNHQAAAK-MRXNPFEDSA-N -1 0 336.391 2.935 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(Br)c2ccccc2c1)C(=O)[O-] ZINC001588414542 983434486 /nfs/dbraw/zinc/43/44/86/983434486.db2.gz VOBWDNYUFPDGTH-CQSZACIVSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CC[C@H](NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001588415944 983435937 /nfs/dbraw/zinc/43/59/37/983435937.db2.gz IMYJGFYVEVQZLA-SFHVURJKSA-N -1 0 337.375 2.780 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001588421497 983441195 /nfs/dbraw/zinc/44/11/95/983441195.db2.gz KKVPZUMDVMJCKM-LBPRGKRZSA-N -1 0 348.811 2.978 20 30 EFEDRM C#CCC1(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CCC1 ZINC001588428049 983459764 /nfs/dbraw/zinc/45/97/64/983459764.db2.gz YRUNZTGLSNMXGQ-UHFFFAOYSA-N -1 0 331.328 2.669 20 30 EFEDRM C#CCC1(C(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CCCCC1 ZINC001588428665 983462927 /nfs/dbraw/zinc/46/29/27/983462927.db2.gz XACLMOABDLOLNH-HXUWFJFHSA-N -1 0 347.455 2.569 20 30 EFEDRM C#CCC1(O)CC[NH+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001588431842 983466066 /nfs/dbraw/zinc/46/60/66/983466066.db2.gz OPINIBUPLIZIPP-CQSZACIVSA-N -1 0 342.222 2.969 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588433930 983468518 /nfs/dbraw/zinc/46/85/18/983468518.db2.gz DAVVCUWKNFTPEF-CHWSQXEVSA-N -1 0 348.374 2.945 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC001588434456 983470178 /nfs/dbraw/zinc/47/01/78/983470178.db2.gz KFONCCHMESAICH-NSHDSACASA-N -1 0 336.775 2.681 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001588455086 983478395 /nfs/dbraw/zinc/47/83/95/983478395.db2.gz CHVONLPDFFUZHV-OAHLLOKOSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001588455170 983478643 /nfs/dbraw/zinc/47/86/43/983478643.db2.gz FWYCNABNQALOGD-QGZVFWFLSA-N -1 0 341.338 2.784 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001588455388 983479465 /nfs/dbraw/zinc/47/94/65/983479465.db2.gz LYPHGECTSPQNIV-OXQOHEQNSA-N -1 0 341.407 2.806 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588455563 983480207 /nfs/dbraw/zinc/48/02/07/983480207.db2.gz PWDVCHAAXYFSNJ-NSHDSACASA-N -1 0 344.392 2.734 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001588455757 983480469 /nfs/dbraw/zinc/48/04/69/983480469.db2.gz SISYMCYWXNRJLR-SZMVWBNQSA-N -1 0 341.407 2.947 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001588455882 983480817 /nfs/dbraw/zinc/48/08/17/983480817.db2.gz VALJYKAWTRUKEV-VQIMIIECSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001588457479 983481604 /nfs/dbraw/zinc/48/16/04/983481604.db2.gz BAJJSLXIZUAKIQ-UHFFFAOYSA-N -1 0 349.346 2.916 20 30 EFEDRM C#CCCOc1ccc(C(=O)O[C@@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001588457563 983482084 /nfs/dbraw/zinc/48/20/84/983482084.db2.gz CWXHUTGNMSHMAD-NSHDSACASA-N -1 0 329.308 2.693 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001588459058 983484139 /nfs/dbraw/zinc/48/41/39/983484139.db2.gz XFHYSJYCQNNPCB-UHFFFAOYSA-N -1 0 330.365 2.804 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCc2ccccc21 ZINC001588461496 983490479 /nfs/dbraw/zinc/49/04/79/983490479.db2.gz RXDHZWIOZIFAFW-GOSISDBHSA-N -1 0 334.375 2.933 20 30 EFEDRM CCN(C(=O)CCc1ocnc1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001596140068 983492742 /nfs/dbraw/zinc/49/27/42/983492742.db2.gz PXGLPAFWYVDKFO-GFCCVEGCSA-N -1 0 341.367 2.787 20 30 EFEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(C)(C)C ZINC001588465636 983495782 /nfs/dbraw/zinc/49/57/82/983495782.db2.gz BHXNGLYUEONNHI-UHFFFAOYSA-N -1 0 334.441 2.607 20 30 EFEDRM CCN(C(=O)CON=Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001596145235 983500249 /nfs/dbraw/zinc/50/02/49/983500249.db2.gz DYHODEHQUYFLDP-UHFFFAOYSA-N -1 0 326.352 2.788 20 30 EFEDRM C#CCOCCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001588490326 983532087 /nfs/dbraw/zinc/53/20/87/983532087.db2.gz ZOKWPDYFLRYUPM-KRWDZBQOSA-N -1 0 325.364 2.512 20 30 EFEDRM C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588497471 983539099 /nfs/dbraw/zinc/53/90/99/983539099.db2.gz INDSAIJFMRURCS-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001588498162 983543786 /nfs/dbraw/zinc/54/37/86/983543786.db2.gz YVMFZVJYRFCBSO-MRXNPFEDSA-N -1 0 330.384 2.854 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001588499327 983545375 /nfs/dbraw/zinc/54/53/75/983545375.db2.gz XVQFKFJWKYZMLX-QGZVFWFLSA-N -1 0 334.347 2.603 20 30 EFEDRM C#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001588511506 983559872 /nfs/dbraw/zinc/55/98/72/983559872.db2.gz XRDAGSYGNWYIRJ-UHFFFAOYSA-N -1 0 343.766 2.754 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)cn1 ZINC001588516621 983561593 /nfs/dbraw/zinc/56/15/93/983561593.db2.gz SSQJFHXIQPSMCI-UHFFFAOYSA-N -1 0 345.152 2.776 20 30 EFEDRM C#Cc1ccc(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001588517073 983563439 /nfs/dbraw/zinc/56/34/39/983563439.db2.gz JWXQDRJVCXOEDU-UHFFFAOYSA-N -1 0 334.375 2.634 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588524185 983574130 /nfs/dbraw/zinc/57/41/30/983574130.db2.gz BRSRTXSUUMHDQS-GOSISDBHSA-N -1 0 325.339 2.600 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001588524934 983576698 /nfs/dbraw/zinc/57/66/98/983576698.db2.gz ZJSVNQDQSVUGAV-KRWDZBQOSA-N -1 0 345.757 2.945 20 30 EFEDRM C#Cc1cccc(NC(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001588524940 983576737 /nfs/dbraw/zinc/57/67/37/983576737.db2.gz ZLFDZSMFNYJZCF-GFCCVEGCSA-N -1 0 341.392 2.844 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588528693 983577826 /nfs/dbraw/zinc/57/78/26/983577826.db2.gz DYFHKPPBLOOJEM-SECBINFHSA-N -1 0 341.205 2.980 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588542963 983610341 /nfs/dbraw/zinc/61/03/41/983610341.db2.gz BFXYQMNFINOGJO-SNVBAGLBSA-N -1 0 346.261 2.763 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C(=O)[O-] ZINC001588543371 983611663 /nfs/dbraw/zinc/61/16/63/983611663.db2.gz IBOLSXMMPDPBHZ-AWEZNQCLSA-N -1 0 347.802 2.890 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001588547283 983619164 /nfs/dbraw/zinc/61/91/64/983619164.db2.gz WNTJVLVVBJHULT-MRVPVSSYSA-N -1 0 336.697 2.903 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588547928 983622382 /nfs/dbraw/zinc/62/23/82/983622382.db2.gz JDBFFJURUUQUHB-CYBMUJFWSA-N -1 0 346.408 2.968 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588548433 983624382 /nfs/dbraw/zinc/62/43/82/983624382.db2.gz UIYIESANBMVJFN-AWEZNQCLSA-N -1 0 339.775 2.552 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001596231942 983627755 /nfs/dbraw/zinc/62/77/55/983627755.db2.gz YWNIWWQTEFUYLL-GFCCVEGCSA-N -1 0 346.408 2.708 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001596231943 983627909 /nfs/dbraw/zinc/62/79/09/983627909.db2.gz YWNIWWQTEFUYLL-LBPRGKRZSA-N -1 0 346.408 2.708 20 30 EFEDRM C=C(C)C[C@@H](Nc1ccc2nnc(-c3ccsc3)n2n1)C(=O)[O-] ZINC001588554321 983630221 /nfs/dbraw/zinc/63/02/21/983630221.db2.gz DDXWQCTWBNQQBW-LLVKDONJSA-N -1 0 329.385 2.684 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC001588555684 983636551 /nfs/dbraw/zinc/63/65/51/983636551.db2.gz PEEYNUBYRXBJQC-HNNXBMFYSA-N -1 0 345.420 2.636 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(CCC)ccc1Cl)C(=O)[O-] ZINC001588555857 983637920 /nfs/dbraw/zinc/63/79/20/983637920.db2.gz UXWQCCVSRUJYLQ-ZDUSSCGKSA-N -1 0 345.848 2.990 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588567480 983646936 /nfs/dbraw/zinc/64/69/36/983646936.db2.gz MEGFJCVSLKNJCE-VURMDHGXSA-N -1 0 345.351 2.681 20 30 EFEDRM C=C(C)CNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588585346 983663020 /nfs/dbraw/zinc/66/30/20/983663020.db2.gz MVOFXMIKYMBHDN-UHFFFAOYSA-N -1 0 331.141 2.984 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588589764 983668379 /nfs/dbraw/zinc/66/83/79/983668379.db2.gz SYEYGIFCDJEHKK-SOUVJXGZSA-N -1 0 345.447 2.808 20 30 EFEDRM C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591692 983673795 /nfs/dbraw/zinc/67/37/95/983673795.db2.gz LQAVODJTRLZGBS-RWQOHMLTSA-N -1 0 348.447 2.545 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@H]2C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588591910 983674635 /nfs/dbraw/zinc/67/46/35/983674635.db2.gz OFUBVQQFCQHYPW-UQOMUDLDSA-N -1 0 330.432 2.525 20 30 EFEDRM C=C(C)Cn1c(C2CC=CC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588592309 983676732 /nfs/dbraw/zinc/67/67/32/983676732.db2.gz WBLKPJNQNSJMEV-DZGCQCFKSA-N -1 0 330.432 2.835 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588597217 983678834 /nfs/dbraw/zinc/67/88/34/983678834.db2.gz BYTVLPULQJPYKI-UHFFFAOYSA-N -1 0 326.400 2.678 20 30 EFEDRM C=C(C)Cn1c(COC2CCCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588597581 983679911 /nfs/dbraw/zinc/67/99/11/983679911.db2.gz IAOZNJSICREMNZ-CQSZACIVSA-N -1 0 348.447 2.614 20 30 EFEDRM C=C(C)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C1(OCC)CCC1 ZINC001588598875 983686505 /nfs/dbraw/zinc/68/65/05/983686505.db2.gz QZGLOCMVHFZZLA-UHFFFAOYSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588599152 983688282 /nfs/dbraw/zinc/68/82/82/983688282.db2.gz HFKMAYJAPVVELH-OAHLLOKOSA-N -1 0 348.447 2.787 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001588599311 983689432 /nfs/dbraw/zinc/68/94/32/983689432.db2.gz LSDMTZOAIALDIO-TXPKVOOTSA-N -1 0 331.412 2.516 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001588599554 983690519 /nfs/dbraw/zinc/69/05/19/983690519.db2.gz WMYWDUOVATUKKP-YTRPVJOVSA-N -1 0 332.352 2.680 20 30 EFEDRM C=C(CC)C(=O)Nc1nc2cc(C(=O)[O-])cc(Br)c2[nH]1 ZINC001588605347 983692184 /nfs/dbraw/zinc/69/21/84/983692184.db2.gz AKQZDIZWTHLNSL-UHFFFAOYSA-N -1 0 338.161 2.928 20 30 EFEDRM C=C(CC)CNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588605372 983692202 /nfs/dbraw/zinc/69/22/02/983692202.db2.gz BTQIQEIFGHCVNE-UHFFFAOYSA-N -1 0 341.205 2.913 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001588612379 983703035 /nfs/dbraw/zinc/70/30/35/983703035.db2.gz OXOQWWHHAFIHDV-QGZVFWFLSA-N -1 0 331.412 2.597 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001588612378 983703113 /nfs/dbraw/zinc/70/31/13/983703113.db2.gz OXOQWWHHAFIHDV-KRWDZBQOSA-N -1 0 331.412 2.597 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC001588614436 983707623 /nfs/dbraw/zinc/70/76/23/983707623.db2.gz VDNGUALVDSTLSF-KRWDZBQOSA-N -1 0 331.412 2.658 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001588614580 983707812 /nfs/dbraw/zinc/70/78/12/983707812.db2.gz XSXFLVLIFNGQTF-UHFFFAOYSA-N -1 0 333.228 2.751 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC001588614699 983708546 /nfs/dbraw/zinc/70/85/46/983708546.db2.gz ZQAUIBFQUHWJFE-OAHLLOKOSA-N -1 0 335.375 2.925 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001588614732 983708638 /nfs/dbraw/zinc/70/86/38/983708638.db2.gz AIUKIFJARVWRRZ-IBGZPJMESA-N -1 0 327.380 2.874 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OC)c1cccc2ccccc21 ZINC001588618957 983713702 /nfs/dbraw/zinc/71/37/02/983713702.db2.gz GLMXDHUWBSZASE-KRWDZBQOSA-N -1 0 341.363 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001588621457 983719118 /nfs/dbraw/zinc/71/91/18/983719118.db2.gz DPBQZUDSWBJHSJ-ZDUSSCGKSA-N -1 0 346.383 2.632 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC001588621861 983720917 /nfs/dbraw/zinc/72/09/17/983720917.db2.gz LIQKPFJDKNWAMK-JTQLQIEISA-N -1 0 349.774 2.988 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC001588622507 983724007 /nfs/dbraw/zinc/72/40/07/983724007.db2.gz ZYSUGPDGDLHOLN-KRWDZBQOSA-N -1 0 333.384 2.692 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)NCCC)c(Cl)c1 ZINC001588629355 983736966 /nfs/dbraw/zinc/73/69/66/983736966.db2.gz IMDAPKLXWXVAJW-UHFFFAOYSA-N -1 0 338.791 2.839 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC001588629454 983737359 /nfs/dbraw/zinc/73/73/59/983737359.db2.gz BPLTXIQBUIADAQ-UHFFFAOYSA-N -1 0 345.317 2.803 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC001588629426 983737366 /nfs/dbraw/zinc/73/73/66/983737366.db2.gz KVASBTJAXXBUKM-CQSZACIVSA-N -1 0 333.384 2.912 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC001588629959 983740348 /nfs/dbraw/zinc/74/03/48/983740348.db2.gz OKUKPXGBTKNZFO-UHFFFAOYSA-N -1 0 332.400 2.830 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Br)cc1OC ZINC001588629990 983740667 /nfs/dbraw/zinc/74/06/67/983740667.db2.gz YXWVJESZWUVVCL-UHFFFAOYSA-N -1 0 328.162 2.817 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001588630656 983745336 /nfs/dbraw/zinc/74/53/36/983745336.db2.gz VTCDYSHGMMUMCR-RBUKOAKNSA-N -1 0 339.391 2.999 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC001588630630 983745361 /nfs/dbraw/zinc/74/53/61/983745361.db2.gz UMSKCDIEERCKMS-MRXNPFEDSA-N -1 0 347.411 2.682 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC001588630608 983745598 /nfs/dbraw/zinc/74/55/98/983745598.db2.gz TUIGWZUEFPEQND-CYBMUJFWSA-N -1 0 338.201 2.974 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC001588633108 983747568 /nfs/dbraw/zinc/74/75/68/983747568.db2.gz BGQIIZJFGSETTM-UHFFFAOYSA-N -1 0 342.317 2.924 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001588633268 983748733 /nfs/dbraw/zinc/74/87/33/983748733.db2.gz KBTVWLYIBOZBJT-UHFFFAOYSA-N -1 0 343.358 2.860 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC001588633657 983750358 /nfs/dbraw/zinc/75/03/58/983750358.db2.gz LWRKJSAAEUSVJS-UHFFFAOYSA-N -1 0 330.384 2.591 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588634206 983752606 /nfs/dbraw/zinc/75/26/06/983752606.db2.gz YKKISQOVWFUFKU-UHFFFAOYSA-N -1 0 327.336 2.986 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001588644301 983769028 /nfs/dbraw/zinc/76/90/28/983769028.db2.gz OBCNCBFZPOZNRH-GASCZTMLSA-N -1 0 330.384 2.656 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC001588649762 983770280 /nfs/dbraw/zinc/77/02/80/983770280.db2.gz BUERJPPPVRFFBM-UHFFFAOYSA-N -1 0 327.377 2.549 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001588677192 983834593 /nfs/dbraw/zinc/83/45/93/983834593.db2.gz WWDIWLRFZUFHES-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001588680642 983836138 /nfs/dbraw/zinc/83/61/38/983836138.db2.gz CMEYIXQXVPUUGK-SFHVURJKSA-N -1 0 332.448 2.744 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001588682355 983843821 /nfs/dbraw/zinc/84/38/21/983843821.db2.gz MFXGNULHGJVBSK-GOSISDBHSA-N -1 0 332.400 2.502 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588683965 983853197 /nfs/dbraw/zinc/85/31/97/983853197.db2.gz IBBGVZUNXNCMRB-WFASDCNBSA-N -1 0 345.317 2.665 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588684696 983863099 /nfs/dbraw/zinc/86/30/99/983863099.db2.gz WRMAKNXHYPBQKR-QGZVFWFLSA-N -1 0 346.408 2.703 20 30 EFEDRM C=C[C@@H](Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C(=O)[O-] ZINC001588702310 983919738 /nfs/dbraw/zinc/91/97/38/983919738.db2.gz PSPNNBLHDHEKBP-OAHLLOKOSA-N -1 0 326.400 2.646 20 30 EFEDRM C=C[C@@H](OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)C(=O)[O-] ZINC001588711957 983940376 /nfs/dbraw/zinc/94/03/76/983940376.db2.gz RSRFHMYKMVKKJN-MRXNPFEDSA-N -1 0 345.351 2.595 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccncc2)n1CC(F)(F)F)C(=O)[O-] ZINC001588715014 983953995 /nfs/dbraw/zinc/95/39/95/983953995.db2.gz RIQCQMMUAZLJPM-SECBINFHSA-N -1 0 344.318 2.634 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001588719163 983958925 /nfs/dbraw/zinc/95/89/25/983958925.db2.gz MLADSGDIGMPKLF-NSHDSACASA-N -1 0 334.372 2.974 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001588719148 983959211 /nfs/dbraw/zinc/95/92/11/983959211.db2.gz MDZDIHDEZDUAKC-AWEZNQCLSA-N -1 0 335.425 2.532 20 30 EFEDRM C=CC1(CC(=O)Nc2c(C(=O)OC)c[nH]c2C(=O)[O-])CCCCC1 ZINC001588719676 983962206 /nfs/dbraw/zinc/96/22/06/983962206.db2.gz WTOSNLQJHZMBGD-UHFFFAOYSA-N -1 0 334.372 2.965 20 30 EFEDRM C=CC[C@H](C(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001588727742 983978296 /nfs/dbraw/zinc/97/82/96/983978296.db2.gz FMXBUGOKPRGMBB-LBPRGKRZSA-N -1 0 331.397 2.854 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588736640 984026063 /nfs/dbraw/zinc/02/60/63/984026063.db2.gz QIYKKNYBIWLYCD-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588736686 984026829 /nfs/dbraw/zinc/02/68/29/984026829.db2.gz RISPVBXDZSJTLV-UHFFFAOYSA-N -1 0 338.429 2.720 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588742993 984035131 /nfs/dbraw/zinc/03/51/31/984035131.db2.gz PLJISRSREYIEBW-UHFFFAOYSA-N -1 0 334.322 2.962 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC001588750510 984072030 /nfs/dbraw/zinc/07/20/30/984072030.db2.gz FMVQPMQAKKASOV-GZMMTYOYSA-N -1 0 348.321 2.738 20 30 EFEDRM C=CC[C@@H](OC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)C(=O)[O-] ZINC001588757496 984103240 /nfs/dbraw/zinc/10/32/40/984103240.db2.gz ABEXGHYDEHZHDB-CYBMUJFWSA-N -1 0 347.346 2.716 20 30 EFEDRM C=CC[C@H](OC(=O)c1sc(-c2c(C)noc2C)nc1C)C(=O)[O-] ZINC001588759613 984112720 /nfs/dbraw/zinc/11/27/20/984112720.db2.gz XTVZRZKYRBLGIZ-JTQLQIEISA-N -1 0 336.369 2.909 20 30 EFEDRM C=CCC1(CNS(=O)(=O)Cc2ccccc2C(=O)[O-])CCCC1 ZINC001588767198 984128911 /nfs/dbraw/zinc/12/89/11/984128911.db2.gz OPFKXRBAPYFTLD-UHFFFAOYSA-N -1 0 337.441 2.941 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2scc(C(=O)[O-])c2C)CCCC1 ZINC001588767300 984130109 /nfs/dbraw/zinc/13/01/09/984130109.db2.gz SVESIRVNSPNZNG-UHFFFAOYSA-N -1 0 336.413 2.698 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CCCCC1 ZINC001588769336 984133512 /nfs/dbraw/zinc/13/35/12/984133512.db2.gz SIOMKUUGWSBORP-UHFFFAOYSA-N -1 0 337.441 2.871 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC001588771111 984137953 /nfs/dbraw/zinc/13/79/53/984137953.db2.gz OJOBBNCGIPJLIZ-LBPRGKRZSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001588771287 984139093 /nfs/dbraw/zinc/13/90/93/984139093.db2.gz ROAQKBREHWKDSZ-LBPRGKRZSA-N -1 0 346.383 2.991 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001588771429 984139643 /nfs/dbraw/zinc/13/96/43/984139643.db2.gz UEVDSJRTENRBIC-VUULHSHRSA-N -1 0 334.416 2.687 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588771474 984140262 /nfs/dbraw/zinc/14/02/62/984140262.db2.gz VURGFPDJEPTQCK-MGPQQGTHSA-N -1 0 346.431 2.850 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001588776998 984154510 /nfs/dbraw/zinc/15/45/10/984154510.db2.gz QJNVDHVEEUHQQK-UHFFFAOYSA-N -1 0 342.351 2.975 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001588777821 984158044 /nfs/dbraw/zinc/15/80/44/984158044.db2.gz MIDQRRYGZVZGCS-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588778146 984159464 /nfs/dbraw/zinc/15/94/64/984159464.db2.gz UVVBCYUCWNFBSX-ZDUSSCGKSA-N -1 0 336.388 2.621 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588778668 984161901 /nfs/dbraw/zinc/16/19/01/984161901.db2.gz IQRYKOISFDUGCX-BMFZPTHFSA-N -1 0 332.400 2.577 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)n1)c1ccccc1 ZINC001588779159 984164733 /nfs/dbraw/zinc/16/47/33/984164733.db2.gz UFZWNDBJOUVRBT-CYBMUJFWSA-N -1 0 328.372 2.947 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cccnc1C(=O)[O-])c1ccccc1 ZINC001588779233 984165337 /nfs/dbraw/zinc/16/53/37/984165337.db2.gz UNKQWEUDSJUVCA-CQSZACIVSA-N -1 0 346.408 2.766 20 30 EFEDRM C=CCCCC(=O)O[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588782604 984173639 /nfs/dbraw/zinc/17/36/39/984173639.db2.gz JZHQRNYWFUZKIJ-SNVBAGLBSA-N -1 0 325.386 2.981 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588782739 984174208 /nfs/dbraw/zinc/17/42/08/984174208.db2.gz LYDQHSAUNXPNQO-KSSFIOAISA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001588783102 984176921 /nfs/dbraw/zinc/17/69/21/984176921.db2.gz XWXARFAWGRCLPN-CHWSQXEVSA-N -1 0 332.400 2.674 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC001588786138 984182895 /nfs/dbraw/zinc/18/28/95/984182895.db2.gz MTJGNZKTCOOTFS-WBVHZDCISA-N -1 0 344.411 2.887 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CSCc1ccc(F)cc1)C(=O)[O-] ZINC001588788464 984190440 /nfs/dbraw/zinc/19/04/40/984190440.db2.gz CVCLABXEWGBQSC-CQSZACIVSA-N -1 0 325.405 2.985 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(N(C)C)c2ccccc2n1)C(=O)[O-] ZINC001588792438 984209380 /nfs/dbraw/zinc/20/93/80/984209380.db2.gz HGGJBRZETVOTKU-OAHLLOKOSA-N -1 0 341.411 2.840 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792617 984211407 /nfs/dbraw/zinc/21/14/07/984211407.db2.gz BPMAROHNMKTXCS-CQSZACIVSA-N -1 0 347.371 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)cn1CC)C(=O)[O-] ZINC001588792705 984212314 /nfs/dbraw/zinc/21/23/14/984212314.db2.gz MEJTUSABJGZLOQ-LLVKDONJSA-N -1 0 343.221 2.810 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC001588792758 984213155 /nfs/dbraw/zinc/21/31/55/984213155.db2.gz DIYJALNWNLMBEM-ZBFHGGJFSA-N -1 0 345.443 2.857 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(Nc2cnccn2)c1)C(=O)[O-] ZINC001588793362 984218296 /nfs/dbraw/zinc/21/82/96/984218296.db2.gz PNMPDEUAAFISQF-OAHLLOKOSA-N -1 0 340.383 2.760 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1)C(=O)[O-] ZINC001588793679 984221104 /nfs/dbraw/zinc/22/11/04/984221104.db2.gz WTVDHLJCQMVOTH-HNNXBMFYSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001588793739 984221271 /nfs/dbraw/zinc/22/12/71/984221271.db2.gz ZPBIDUMWLMUYQW-LLVKDONJSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] ZINC001588794152 984224862 /nfs/dbraw/zinc/22/48/62/984224862.db2.gz MRNHLVMPMJFOIE-SJKOYZFVSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncoc1CCC(F)(F)F)C(=O)[O-] ZINC001588797331 984229463 /nfs/dbraw/zinc/22/94/63/984229463.db2.gz CUTMYQNLGCVUID-VIFPVBQESA-N -1 0 334.294 2.709 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(-n2cccc2)cc1)C(=O)[O-] ZINC001588798693 984238466 /nfs/dbraw/zinc/23/84/66/984238466.db2.gz OOECBRXIGAVKDH-MRXNPFEDSA-N -1 0 348.424 2.565 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cccc2c1CCCC2)C(=O)[O-] ZINC001588798805 984238652 /nfs/dbraw/zinc/23/86/52/984238652.db2.gz RJNWHGBGXRUIMF-OAHLLOKOSA-N -1 0 337.441 2.653 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc2ccc(C)nc21)C(=O)[O-] ZINC001588798780 984238741 /nfs/dbraw/zinc/23/87/41/984238741.db2.gz RAEQRKPXZKPBSH-AWEZNQCLSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588798934 984239900 /nfs/dbraw/zinc/23/99/00/984239900.db2.gz VOMBSTVZFFYVFW-OWCLPIDISA-N -1 0 337.441 2.867 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(CC)c(CC)c1)C(=O)[O-] ZINC001588799063 984241236 /nfs/dbraw/zinc/24/12/36/984241236.db2.gz ZTMTWGLWTFXAMN-INIZCTEOSA-N -1 0 339.457 2.899 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001588799824 984242091 /nfs/dbraw/zinc/24/20/91/984242091.db2.gz KOIBJIZCFSSVCS-UHFFFAOYSA-N -1 0 333.356 2.688 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588801251 984244913 /nfs/dbraw/zinc/24/49/13/984244913.db2.gz CKDKBHXUEVFZKU-UHFFFAOYSA-N -1 0 329.393 2.809 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001588803658 984251428 /nfs/dbraw/zinc/25/14/28/984251428.db2.gz BHHLFSOSXBUFAQ-AWEZNQCLSA-N -1 0 340.445 2.546 20 30 EFEDRM C=CCCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001588803753 984252263 /nfs/dbraw/zinc/25/22/63/984252263.db2.gz IAMAQGCHQMGNJM-UHFFFAOYSA-N -1 0 345.182 2.713 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001596501259 984253804 /nfs/dbraw/zinc/25/38/04/984253804.db2.gz LQGPSLWYXQXVSB-UHFFFAOYSA-N -1 0 339.351 2.706 20 30 EFEDRM C=CCCCS(=O)(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001588805761 984255816 /nfs/dbraw/zinc/25/58/16/984255816.db2.gz NJCOAQGRHWJDGM-UHFFFAOYSA-N -1 0 337.397 2.860 20 30 EFEDRM C=CCCCS(=O)(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001588806063 984257300 /nfs/dbraw/zinc/25/73/00/984257300.db2.gz ZUIMCNQVTHWCKK-UHFFFAOYSA-N -1 0 349.202 2.822 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001588814510 984270667 /nfs/dbraw/zinc/27/06/67/984270667.db2.gz BCEYMUFRKLWXBF-UHFFFAOYSA-N -1 0 337.441 2.729 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001588814524 984270976 /nfs/dbraw/zinc/27/09/76/984270976.db2.gz BMFGHVRSISDYTM-UHFFFAOYSA-N -1 0 335.381 2.575 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc1 ZINC001588814767 984272692 /nfs/dbraw/zinc/27/26/92/984272692.db2.gz QILXNMXOYKZNEX-BBRMVZONSA-N -1 0 339.457 2.973 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588814772 984272951 /nfs/dbraw/zinc/27/29/51/984272951.db2.gz QKADGELEUULQQE-VIFPVBQESA-N -1 0 329.447 2.511 20 30 EFEDRM C=CCCSCCNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001588814866 984273881 /nfs/dbraw/zinc/27/38/81/984273881.db2.gz VVKDPLAYSHQIEB-UHFFFAOYSA-N -1 0 345.424 2.610 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001588814901 984274047 /nfs/dbraw/zinc/27/40/47/984274047.db2.gz XRZFINFMNHWCAB-KRWDZBQOSA-N -1 0 345.420 2.909 20 30 EFEDRM C=CCCn1cc(COc2cc(/C=C/C(=O)[O-])ccc2OC)nn1 ZINC001588819897 984279912 /nfs/dbraw/zinc/27/99/12/984279912.db2.gz GYBWVHYFTDVLGG-SOFGYWHQSA-N -1 0 329.356 2.540 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC001588820138 984282050 /nfs/dbraw/zinc/28/20/50/984282050.db2.gz RVTHIQSQTDHGKW-UHFFFAOYSA-N -1 0 340.379 2.900 20 30 EFEDRM C=CCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588822264 984288395 /nfs/dbraw/zinc/28/83/95/984288395.db2.gz CIQMAFYYYVESHZ-UHFFFAOYSA-N -1 0 332.278 2.976 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588828958 984310265 /nfs/dbraw/zinc/31/02/65/984310265.db2.gz VXPNGZFEBMYXBP-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1ocnc1C(=O)[O-] ZINC001588829100 984311972 /nfs/dbraw/zinc/31/19/72/984311972.db2.gz APCVBHWOGUZNCU-UHFFFAOYSA-N -1 0 344.367 2.529 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001588831771 984317220 /nfs/dbraw/zinc/31/72/20/984317220.db2.gz PCSUSNBHXSBEMM-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001588832752 984325765 /nfs/dbraw/zinc/32/57/65/984325765.db2.gz XGAJMGUWKAAMHZ-HNNXBMFYSA-N -1 0 330.384 2.923 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2csc(C(F)(F)F)n2)C(C(=O)[O-])=C1C ZINC001588836865 984330266 /nfs/dbraw/zinc/33/02/66/984330266.db2.gz KVUGVDBOQCTXOE-VIFPVBQESA-N -1 0 347.318 2.773 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2csc(C(F)(F)F)n2)C(C(=O)[O-])=C1C ZINC001588836864 984330368 /nfs/dbraw/zinc/33/03/68/984330368.db2.gz KVUGVDBOQCTXOE-SECBINFHSA-N -1 0 347.318 2.773 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001588843606 984353236 /nfs/dbraw/zinc/35/32/36/984353236.db2.gz AOFIVAWCHJMKBZ-UHFFFAOYSA-N -1 0 342.399 2.951 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001588845288 984361504 /nfs/dbraw/zinc/36/15/04/984361504.db2.gz BXXWGELOJAWERL-NTMALXAHSA-N -1 0 340.335 2.546 20 30 EFEDRM C=CCNC(=O)c1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001588845369 984362230 /nfs/dbraw/zinc/36/22/30/984362230.db2.gz JKHMUAJDFCDTQG-MDZDMXLPSA-N -1 0 326.352 2.905 20 30 EFEDRM C=CCNC(=S)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588845459 984362874 /nfs/dbraw/zinc/36/28/74/984362874.db2.gz PJCHNXXHIDDYTM-UHFFFAOYSA-N -1 0 333.182 2.759 20 30 EFEDRM C=CCNc1ncc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)s1 ZINC001588849401 984370617 /nfs/dbraw/zinc/37/06/17/984370617.db2.gz OSKDUPZLXWPHNS-UHFFFAOYSA-N -1 0 347.396 2.765 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001588859910 984409133 /nfs/dbraw/zinc/40/91/33/984409133.db2.gz BBRRWDUTTZBLEI-ZDUSSCGKSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001588862141 984417513 /nfs/dbraw/zinc/41/75/13/984417513.db2.gz QUSPKFZHOYDCBO-CQSZACIVSA-N -1 0 325.792 2.678 20 30 EFEDRM C=CCOc1ccc(COC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001588872869 984443122 /nfs/dbraw/zinc/44/31/22/984443122.db2.gz OOHVCQGTGMNRRK-JKSUJKDBSA-N -1 0 334.368 2.707 20 30 EFEDRM C=CCOc1ccc(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001588873477 984444176 /nfs/dbraw/zinc/44/41/76/984444176.db2.gz BJCSTYVMYQTBPA-GOSISDBHSA-N -1 0 339.391 2.779 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001588873607 984444761 /nfs/dbraw/zinc/44/47/61/984444761.db2.gz DLVADVQERYCMLU-APWZRJJASA-N -1 0 344.411 2.790 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588874116 984447518 /nfs/dbraw/zinc/44/75/18/984447518.db2.gz XICRTMXOULFZIG-NSHDSACASA-N -1 0 346.408 2.826 20 30 EFEDRM C=CCOc1cccnc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001588877231 984452203 /nfs/dbraw/zinc/45/22/03/984452203.db2.gz DRSPBWNQBUPVDZ-AWEZNQCLSA-N -1 0 332.400 2.800 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588877471 984453428 /nfs/dbraw/zinc/45/34/28/984453428.db2.gz RIBZCDJUWHXZJP-QXSJWSMHSA-N -1 0 344.411 2.550 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001588878846 984455574 /nfs/dbraw/zinc/45/55/74/984455574.db2.gz LJNMRWVAXIVEBO-UHFFFAOYSA-N -1 0 345.380 2.931 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001588879895 984460167 /nfs/dbraw/zinc/46/01/67/984460167.db2.gz XYDNBEJYGUNCQT-UHFFFAOYSA-N -1 0 343.408 2.626 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001588882450 984463191 /nfs/dbraw/zinc/46/31/91/984463191.db2.gz SVOAJVSVDNSBKI-JTNHKYCSSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c(OC)c1 ZINC001588885205 984466294 /nfs/dbraw/zinc/46/62/94/984466294.db2.gz HEVMQLMSUYBGQZ-UKRRQHHQSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1coc(C#N)c1 ZINC001588885284 984466928 /nfs/dbraw/zinc/46/69/28/984466928.db2.gz NVVVMKSWMKQUAA-UHFFFAOYSA-N -1 0 327.292 2.806 20 30 EFEDRM C=CCn1c(-c2cc(C)on2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588886530 984472462 /nfs/dbraw/zinc/47/24/62/984472462.db2.gz KJFKRKWAZJSLFG-UHFFFAOYSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588888851 984476325 /nfs/dbraw/zinc/47/63/25/984476325.db2.gz GJLBWHABQOPBGP-UHFFFAOYSA-N -1 0 349.394 2.720 20 30 EFEDRM C=CCn1c(-c2ccc(C)nc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588888965 984477169 /nfs/dbraw/zinc/47/71/69/984477169.db2.gz HUSHJIMSLKYSFK-SFHVURJKSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c(C2SC=CC2=O)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588891463 984488162 /nfs/dbraw/zinc/48/81/62/984488162.db2.gz LENGQNFHCXUTAT-MRXNPFEDSA-N -1 0 348.428 2.589 20 30 EFEDRM C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588891889 984490095 /nfs/dbraw/zinc/49/00/95/984490095.db2.gz VYZUHEZBXMNGHA-ZDUSSCGKSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c(-c2ncc(C)o2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588891887 984490253 /nfs/dbraw/zinc/49/02/53/984490253.db2.gz VYZUHEZBXMNGHA-CYBMUJFWSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588895908 984497329 /nfs/dbraw/zinc/49/73/29/984497329.db2.gz NZFZHHMZRCNSHX-SUMWQHHRSA-N -1 0 331.420 2.562 20 30 EFEDRM C=CCn1c([C@@H]2CC=CCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588896132 984499145 /nfs/dbraw/zinc/49/91/45/984499145.db2.gz GKQHATHRIXIDMW-RBSFLKMASA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c([C@H]2CCCS2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588896413 984501607 /nfs/dbraw/zinc/50/16/07/984501607.db2.gz CGKHJBKEWDAXHO-OZVIIMIRSA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896882 984505697 /nfs/dbraw/zinc/50/56/97/984505697.db2.gz FWMVNUXKGISPBI-LLVKDONJSA-N -1 0 346.353 2.650 20 30 EFEDRM C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588897499 984511149 /nfs/dbraw/zinc/51/11/49/984511149.db2.gz KPNXNNITIXULCX-HNNXBMFYSA-N -1 0 332.448 2.888 20 30 EFEDRM C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588897894 984513944 /nfs/dbraw/zinc/51/39/44/984513944.db2.gz WQDBVXYCLYCHDJ-GFCCVEGCSA-N -1 0 340.374 2.668 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC001588898139 984516532 /nfs/dbraw/zinc/51/65/32/984516532.db2.gz ZSPNXLDDASJUHF-KGLIPLIRSA-N -1 0 333.384 2.518 20 30 EFEDRM C=CCn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588901158 984522818 /nfs/dbraw/zinc/52/28/18/984522818.db2.gz QVLODRCYWQYZJP-IBGZPJMESA-N -1 0 340.427 2.550 20 30 EFEDRM C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588903936 984525284 /nfs/dbraw/zinc/52/52/84/984525284.db2.gz AOFSOHDLIOKDMK-GXTWGEPZSA-N -1 0 346.456 2.663 20 30 EFEDRM C=CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588904027 984525998 /nfs/dbraw/zinc/52/59/98/984525998.db2.gz DNVPRXYTFYNTGC-TZMCWYRMSA-N -1 0 346.456 2.663 20 30 EFEDRM C=CCn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1[C@]1(C)CCC=CO1 ZINC001588904901 984533759 /nfs/dbraw/zinc/53/37/59/984533759.db2.gz HPKPANDFEXKEIX-LBTNJELSSA-N -1 0 346.431 2.550 20 30 EFEDRM C=CCn1c(SC[C@H](F)C(=O)[O-])nnc1-c1ccccc1OC ZINC001588907601 984539500 /nfs/dbraw/zinc/53/95/00/984539500.db2.gz PTDOUPFTZNSDOH-NSHDSACASA-N -1 0 337.376 2.655 20 30 EFEDRM C=CCn1c(SCC(=O)C2(C(=O)[O-])CC2)nnc1-c1cccs1 ZINC001588907758 984540497 /nfs/dbraw/zinc/54/04/97/984540497.db2.gz VSTUWZWGPCDHNE-UHFFFAOYSA-N -1 0 349.437 2.719 20 30 EFEDRM C=CCn1cc(CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)nn1 ZINC001588908974 984541163 /nfs/dbraw/zinc/54/11/63/984541163.db2.gz CGJGDFRGZGIVQI-UHFFFAOYSA-N -1 0 338.367 2.712 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC[C@@H](CC3CC3)C(=O)[O-])cc2n1 ZINC001588909332 984543507 /nfs/dbraw/zinc/54/35/07/984543507.db2.gz PQMFDLPWVFVWLL-CQSZACIVSA-N -1 0 342.399 2.845 20 30 EFEDRM C=CCn1cc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)nn1 ZINC001588910132 984547995 /nfs/dbraw/zinc/54/79/95/984547995.db2.gz MKBVJTXOPZFUPL-UHFFFAOYSA-N -1 0 328.353 2.629 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@@H](CC3CC3)C(=O)[O-])cc21 ZINC001588912622 984552262 /nfs/dbraw/zinc/55/22/62/984552262.db2.gz LFWFDFYTJVLHGZ-CQSZACIVSA-N -1 0 342.399 2.845 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001588916473 984561208 /nfs/dbraw/zinc/56/12/08/984561208.db2.gz NYZVWNHFWUVKLB-KOLCDFICSA-N -1 0 341.157 2.644 20 30 EFEDRM CC#CCCN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588926980 984595677 /nfs/dbraw/zinc/59/56/77/984595677.db2.gz HLNJQSRQWKVEAO-AWEZNQCLSA-N -1 0 340.217 2.929 20 30 EFEDRM C/C(=C\C(=O)N(CC#N)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588932718 984610001 /nfs/dbraw/zinc/61/00/01/984610001.db2.gz HOLHYTRRJSXFHX-PKNBQFBNSA-N -1 0 340.301 2.936 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001596629849 984613793 /nfs/dbraw/zinc/61/37/93/984613793.db2.gz WYEIVJWXHBHLEH-SOFGYWHQSA-N -1 0 344.319 2.816 20 30 EFEDRM CC(=NNC[C@H]1COc2ccccc2O1)c1cc(C(=O)[O-])cs1 ZINC001589016813 984998248 /nfs/dbraw/zinc/99/82/48/984998248.db2.gz JUVHWWSMLRYKIE-LBPRGKRZSA-N -1 0 332.381 2.600 20 30 EFEDRM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC001589016849 984998255 /nfs/dbraw/zinc/99/82/55/984998255.db2.gz MLMIFLBBZXJTMF-WPRPVWTQSA-N -1 0 340.474 2.608 20 30 EFEDRM Cc1[nH]c(C(=O)CN[C@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599946687 985538608 /nfs/dbraw/zinc/53/86/08/985538608.db2.gz DNHSACWZUJPMPB-LLVKDONJSA-N -1 0 325.368 2.735 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C#Cc1ccc(CC)cc1 ZINC001596907827 985896239 /nfs/dbraw/zinc/89/62/39/985896239.db2.gz BSDUKOLLDVEJGH-MRXNPFEDSA-N -1 0 345.439 2.576 20 30 EFEDRM Cc1c(Br)cccc1Cn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001599972557 986032578 /nfs/dbraw/zinc/03/25/78/986032578.db2.gz PGUSKUDTGBRJMF-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599973515 986050513 /nfs/dbraw/zinc/05/05/13/986050513.db2.gz XLTXXSJRJFCYAB-RDTXWAMCSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001599978880 986133689 /nfs/dbraw/zinc/13/36/89/986133689.db2.gz NIZAWSPOUXKBLE-JTQLQIEISA-N -1 0 338.335 2.920 20 30 EFEDRM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cnn1CCC#N ZINC001599979882 986148235 /nfs/dbraw/zinc/14/82/35/986148235.db2.gz BVXIXZKYBKYGMU-INIZCTEOSA-N -1 0 346.431 2.506 20 30 EFEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589330338 986171128 /nfs/dbraw/zinc/17/11/28/986171128.db2.gz APBASUWVIZIWEI-LBPRGKRZSA-N -1 0 330.388 2.656 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589330337 986171239 /nfs/dbraw/zinc/17/12/39/986171239.db2.gz APBASUWVIZIWEI-GFCCVEGCSA-N -1 0 330.388 2.656 20 30 EFEDRM C[C@@H](C#N)CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C1CC1 ZINC001589330719 986176884 /nfs/dbraw/zinc/17/68/84/986176884.db2.gz OETKLVOHABIZRL-NSHDSACASA-N -1 0 325.368 2.673 20 30 EFEDRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[C@H](C(F)(F)F)O1 ZINC001594542906 986191396 /nfs/dbraw/zinc/19/13/96/986191396.db2.gz VOJIXULNSBMHLN-IINYFYTJSA-N -1 0 342.317 2.798 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001589334110 986198198 /nfs/dbraw/zinc/19/81/98/986198198.db2.gz AIMCLDSYHJOWCM-JTQLQIEISA-N -1 0 328.328 2.658 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2oc(C(C)(C)C)nc2C#N)n1C ZINC001599984091 986205965 /nfs/dbraw/zinc/20/59/65/986205965.db2.gz ACVQCXHMHOPKLP-UHFFFAOYSA-N -1 0 329.360 2.635 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CN=Nc2nnc(-c3ccccc3)s2)n1C ZINC001599984450 986209249 /nfs/dbraw/zinc/20/92/49/986209249.db2.gz LDOQXYOZVGHQHA-UHFFFAOYSA-N -1 0 341.396 2.996 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCCCC#N ZINC001594561672 986321953 /nfs/dbraw/zinc/32/19/53/986321953.db2.gz HQAUZWLYWZWBJC-OAHLLOKOSA-N -1 0 343.427 2.896 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc(C#N)c1 ZINC001597016139 986375130 /nfs/dbraw/zinc/37/51/30/986375130.db2.gz LRUYWJNRFLHKEP-UHFFFAOYSA-N -1 0 340.335 2.673 20 30 EFEDRM CCOc1cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)ccc1OC ZINC001597033595 986463585 /nfs/dbraw/zinc/46/35/85/986463585.db2.gz YQYIDFDKRDMFCW-WQLSENKSSA-N -1 0 342.351 2.659 20 30 EFEDRM CCOc1ccc(/C=N/C[C@@H](Oc2ccccc2)C(=O)[O-])c(O)c1 ZINC001597082552 986638018 /nfs/dbraw/zinc/63/80/18/986638018.db2.gz XZDIWJGAKKVNBJ-HDZGYNCQSA-N -1 0 329.352 2.742 20 30 EFEDRM C[C@H]1Cc2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2O1 ZINC001594619698 986652905 /nfs/dbraw/zinc/65/29/05/986652905.db2.gz HNKDFYGRFCUWPB-GTNSWQLSSA-N -1 0 337.331 2.864 20 30 EFEDRM CCOc1ccc(CCN(C)c2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001597094632 986680366 /nfs/dbraw/zinc/68/03/66/986680366.db2.gz HXZKFDMSWBSNIW-UHFFFAOYSA-N -1 0 325.368 2.729 20 30 EFEDRM CCOc1nccc(C)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597197612 987091618 /nfs/dbraw/zinc/09/16/18/987091618.db2.gz IZCMPULIMKMCOA-HNNXBMFYSA-N -1 0 340.335 2.643 20 30 EFEDRM CCC(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001594716801 987190048 /nfs/dbraw/zinc/19/00/48/987190048.db2.gz GACNQIPYOZGEPP-UHFFFAOYSA-N -1 0 329.356 2.502 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594722020 987208013 /nfs/dbraw/zinc/20/80/13/987208013.db2.gz HHZOMTRFALPNCW-JOYOIKCWSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@H](C(=O)[O-])c1cccc(NC[C@@H](O)COc2ccccc2C#N)c1 ZINC001589532298 987212660 /nfs/dbraw/zinc/21/26/60/987212660.db2.gz PIORMVSFJRLXJP-SUMWQHHRSA-N -1 0 340.379 2.598 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2C(=O)[O-])c1 ZINC001594725012 987225416 /nfs/dbraw/zinc/22/54/16/987225416.db2.gz IHSFPVAYULKXQP-CQSZACIVSA-N -1 0 338.363 2.996 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001594725236 987228491 /nfs/dbraw/zinc/22/84/91/987228491.db2.gz PEZACFKLPQPMIM-ZDUSSCGKSA-N -1 0 342.351 2.897 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1cc(C(F)(F)F)ccn1 ZINC001589540553 987245219 /nfs/dbraw/zinc/24/52/19/987245219.db2.gz YTIDDFBGMYVORK-SECBINFHSA-N -1 0 326.278 2.994 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001589553724 987293180 /nfs/dbraw/zinc/29/31/80/987293180.db2.gz IMGGLHRIKZBNBY-LBPRGKRZSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC001589557703 987306372 /nfs/dbraw/zinc/30/63/72/987306372.db2.gz FZDVDBBQZOYWDX-CWRNSKLLSA-N -1 0 326.396 2.813 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589557513 987306384 /nfs/dbraw/zinc/30/63/84/987306384.db2.gz DQKIINCRXSMZSM-UHFFFAOYSA-N -1 0 333.365 2.796 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC001589558853 987310826 /nfs/dbraw/zinc/31/08/26/987310826.db2.gz VBASPNXHERTFDP-UHFFFAOYSA-N -1 0 344.411 2.584 20 30 EFEDRM CC(C)(C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001589571353 987341386 /nfs/dbraw/zinc/34/13/86/987341386.db2.gz WZVKFNLILJVFQP-UHFFFAOYSA-N -1 0 336.391 2.893 20 30 EFEDRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1N)c1cc(F)cc(C#N)c1 ZINC001589576830 987356203 /nfs/dbraw/zinc/35/62/03/987356203.db2.gz VQXGCNWUAUGMLA-UHFFFAOYSA-N -1 0 341.342 2.894 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccnc(C#N)c1)c1ccccc1 ZINC001589599319 987421183 /nfs/dbraw/zinc/42/11/83/987421183.db2.gz SZSYIYVONREYIV-OAHLLOKOSA-N -1 0 338.367 2.927 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1 ZINC001589636275 987552620 /nfs/dbraw/zinc/55/26/20/987552620.db2.gz LDKBFURHVXYVSJ-INIZCTEOSA-N -1 0 344.411 2.743 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC001589677636 987696782 /nfs/dbraw/zinc/69/67/82/987696782.db2.gz JQLSFUJCDWWYFV-UHFFFAOYSA-N -1 0 347.762 2.872 20 30 EFEDRM CC(C)(C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(O)cc1 ZINC001589680511 987703911 /nfs/dbraw/zinc/70/39/11/987703911.db2.gz COBPLLHGOVEMGZ-MRXNPFEDSA-N -1 0 339.347 2.911 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)[C@H]1CCCCO1 ZINC001589680776 987706386 /nfs/dbraw/zinc/70/63/86/987706386.db2.gz FOKUCCMHCKPCLX-OAHLLOKOSA-N -1 0 331.368 2.895 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccc(O)cc1 ZINC001589680931 987708246 /nfs/dbraw/zinc/70/82/46/987708246.db2.gz IRHQPGUZJAEYGD-UHFFFAOYSA-N -1 0 339.347 2.983 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001597423578 987745059 /nfs/dbraw/zinc/74/50/59/987745059.db2.gz FDNHABFEZQBJPP-UHFFFAOYSA-N -1 0 345.376 2.895 20 30 EFEDRM CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589699618 987786703 /nfs/dbraw/zinc/78/67/03/987786703.db2.gz MWPRHIBALLEQJV-SFHVURJKSA-N -1 0 340.383 2.629 20 30 EFEDRM CCc1ccc(C#CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001597494434 988034589 /nfs/dbraw/zinc/03/45/89/988034589.db2.gz ATBSZKDHTIVXCS-BZSNNMDCSA-N -1 0 325.408 2.845 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001597494423 988035014 /nfs/dbraw/zinc/03/50/14/988035014.db2.gz AHMYVYCDRUPUFP-HXUWFJFHSA-N -1 0 333.387 2.811 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001597494422 988035266 /nfs/dbraw/zinc/03/52/66/988035266.db2.gz AHMYVYCDRUPUFP-FQEVSTJZSA-N -1 0 333.387 2.811 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001597494951 988039791 /nfs/dbraw/zinc/03/97/91/988039791.db2.gz MONBHARNZGGUPF-JOCHJYFZSA-N -1 0 347.414 2.855 20 30 EFEDRM CCc1ccc(C#CC(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001597495599 988044605 /nfs/dbraw/zinc/04/46/05/988044605.db2.gz XQOXVOCZJMCMOG-UHFFFAOYSA-N -1 0 328.393 2.808 20 30 EFEDRM CCc1ccc([C@H]2CN(c3ccc(C(=O)[O-])nc3C#N)CCO2)cc1 ZINC001597520221 988149200 /nfs/dbraw/zinc/14/92/00/988149200.db2.gz RXMLFZARORCQHY-GOSISDBHSA-N -1 0 337.379 2.792 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC001599810695 988329576 /nfs/dbraw/zinc/32/95/76/988329576.db2.gz DTKKAMTWKGJKIW-CQSZACIVSA-N -1 0 329.381 2.554 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)C1CCC1 ZINC001589844012 988353235 /nfs/dbraw/zinc/35/32/35/988353235.db2.gz KNRHOGSICQQKPP-GFCCVEGCSA-N -1 0 345.399 2.821 20 30 EFEDRM CSc1ccc(CNC(=O)c2ccc(C(=O)[O-])s2)cc1C#N ZINC001599813113 988372482 /nfs/dbraw/zinc/37/24/82/988372482.db2.gz NICLIZQBHAUWQW-UHFFFAOYSA-N -1 0 332.406 2.970 20 30 EFEDRM CSc1ccc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001599821371 988519467 /nfs/dbraw/zinc/51/94/67/988519467.db2.gz YDXSCYSBTCZZGX-LBPRGKRZSA-N -1 0 347.440 2.869 20 30 EFEDRM CCc1oc(C=NNC(=S)NCc2ccc(F)cc2)cc1C(=O)[O-] ZINC001597792720 989334452 /nfs/dbraw/zinc/33/44/52/989334452.db2.gz HJWAFIIGXWJRCS-UHFFFAOYSA-N -1 0 349.387 2.678 20 30 EFEDRM CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597828843 989494469 /nfs/dbraw/zinc/49/44/69/989494469.db2.gz KRSJWKRPSMPKBA-LBPRGKRZSA-N -1 0 343.387 2.511 20 30 EFEDRM CCn1nc(C)c(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001597933139 989892510 /nfs/dbraw/zinc/89/25/10/989892510.db2.gz BOOYPTUQMVQQGP-QGZVFWFLSA-N -1 0 326.400 2.649 20 30 EFEDRM CN(C(=O)C(=O)/C=C/c1ccc(F)cc1)C1(C(=O)[O-])CCCCC1 ZINC001597982664 990054714 /nfs/dbraw/zinc/05/47/14/990054714.db2.gz RHWKLUIEGBNXJH-JXMROGBWSA-N -1 0 333.359 2.654 20 30 EFEDRM CC(C)(C)c1cnc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001590515957 990133801 /nfs/dbraw/zinc/13/38/01/990133801.db2.gz RWLCGFWQYATAMX-UHFFFAOYSA-N -1 0 336.417 2.663 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC001590551139 990193148 /nfs/dbraw/zinc/19/31/48/990193148.db2.gz YOXOKPGAVJCTKJ-CQSZACIVSA-N -1 0 339.351 2.628 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001590654328 990346230 /nfs/dbraw/zinc/34/62/30/990346230.db2.gz NGDJCECVIASWHJ-LJQANCHMSA-N -1 0 343.427 2.754 20 30 EFEDRM CC(C)(CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)CC(=O)[O-] ZINC001590723959 990508649 /nfs/dbraw/zinc/50/86/49/990508649.db2.gz MWMBHCVLXJJAMD-UHFFFAOYSA-N -1 0 329.400 2.738 20 30 EFEDRM CN(C)[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001598165307 990679280 /nfs/dbraw/zinc/67/92/80/990679280.db2.gz NFRQHDPOJAOTHQ-SJORKVTESA-N -1 0 338.363 2.530 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590904704 990865966 /nfs/dbraw/zinc/86/59/66/990865966.db2.gz IPNZSNTVFGZTLL-HIFRSBDPSA-N -1 0 331.368 2.902 20 30 EFEDRM CC(C)=CCOc1cccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001590925309 990924692 /nfs/dbraw/zinc/92/46/92/990924692.db2.gz YLTVUNCIBOIZPR-UHFFFAOYSA-N -1 0 342.395 2.862 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001598287906 991192140 /nfs/dbraw/zinc/19/21/40/991192140.db2.gz MSQIAYRLCRQULN-QGZVFWFLSA-N -1 0 337.379 2.522 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC001598288540 991196967 /nfs/dbraw/zinc/19/69/67/991196967.db2.gz WREZOKHTDZAFBN-HNNXBMFYSA-N -1 0 349.390 2.843 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1sccc1CC#N ZINC001598300846 991250042 /nfs/dbraw/zinc/25/00/42/991250042.db2.gz FROMDMLHCFGBJH-UHFFFAOYSA-N -1 0 329.381 2.831 20 30 EFEDRM CN(C)c1ccc(OCc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001598328644 991354145 /nfs/dbraw/zinc/35/41/45/991354145.db2.gz WNFFQEPSDFVILG-UHFFFAOYSA-N -1 0 326.352 2.932 20 30 EFEDRM COc1ccccc1N=C1SCCN1C(=O)C[C@H](C)CC(=O)[O-] ZINC001599714861 991435683 /nfs/dbraw/zinc/43/56/83/991435683.db2.gz KZIQYSILSNOVGX-NSHDSACASA-N -1 0 336.413 2.759 20 30 EFEDRM CN(C1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598370239 991529862 /nfs/dbraw/zinc/52/98/62/991529862.db2.gz LBYUSBVFIIAGPN-UHFFFAOYSA-N -1 0 336.413 2.600 20 30 EFEDRM COc1nc(C)cc(C)c1CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599729285 991683359 /nfs/dbraw/zinc/68/33/59/991683359.db2.gz QWDXGQGRJUHNFN-QGZVFWFLSA-N -1 0 339.395 2.836 20 30 EFEDRM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@H]1CCC[C@@H]1C#N ZINC001598419443 991752707 /nfs/dbraw/zinc/75/27/07/991752707.db2.gz HFSMPDUFBRSMDT-WBMJQRKESA-N -1 0 325.368 2.673 20 30 EFEDRM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1CCC[C@@H]1C#N ZINC001598419442 991752741 /nfs/dbraw/zinc/75/27/41/991752741.db2.gz HFSMPDUFBRSMDT-MLGOLLRUSA-N -1 0 325.368 2.673 20 30 EFEDRM CC(C)CC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591131694 991828136 /nfs/dbraw/zinc/82/81/36/991828136.db2.gz XSHJGPCHRYXQPL-UHFFFAOYSA-N -1 0 338.429 2.607 20 30 EFEDRM CN(CC1(C#N)CC1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598443001 991865901 /nfs/dbraw/zinc/86/59/01/991865901.db2.gz ZADRJIGGWOFOQW-JTQLQIEISA-N -1 0 329.219 2.872 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001598475130 992069883 /nfs/dbraw/zinc/06/98/83/992069883.db2.gz DZRJZVBXQIKJQL-UHFFFAOYSA-N -1 0 327.384 2.882 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001591343210 992324242 /nfs/dbraw/zinc/32/42/42/992324242.db2.gz SSSFZTGMNQMIEQ-KRWDZBQOSA-N -1 0 341.411 2.899 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001591507552 992659263 /nfs/dbraw/zinc/65/92/63/992659263.db2.gz GSGRSFNASJXKBW-DYVFJYSZSA-N -1 0 333.436 2.642 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598519893 992666384 /nfs/dbraw/zinc/66/63/84/992666384.db2.gz NYZXMMDMCHKMIY-XLIONFOSSA-N -1 0 334.375 2.775 20 30 EFEDRM CC(C)Cn1c(CCCCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591513811 992670632 /nfs/dbraw/zinc/67/06/32/992670632.db2.gz JFTHCTXTYDWXSD-LSDHHAIUSA-N -1 0 347.463 2.717 20 30 EFEDRM CC(C)Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001591516242 992681027 /nfs/dbraw/zinc/68/10/27/992681027.db2.gz NHVYRGHIUMFTBM-QGZVFWFLSA-N -1 0 345.447 2.570 20 30 EFEDRM CC(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001591516358 992682672 /nfs/dbraw/zinc/68/26/72/992682672.db2.gz QTJFHMPQGAOYKD-CQSZACIVSA-N -1 0 345.447 2.570 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(F)c1C#N ZINC001598524339 992700735 /nfs/dbraw/zinc/70/07/35/992700735.db2.gz YKTFYEBNAQVQEA-UHFFFAOYSA-N -1 0 328.343 2.793 20 30 EFEDRM C[C@@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1cccc(C#N)c1 ZINC001593079373 993648084 /nfs/dbraw/zinc/64/80/84/993648084.db2.gz RQDYCFHHBNSHOW-SNVBAGLBSA-N -1 0 342.355 2.540 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001593102145 993741539 /nfs/dbraw/zinc/74/15/39/993741539.db2.gz AIEBLDYLJJHEKU-CYBMUJFWSA-N -1 0 337.379 2.746 20 30 EFEDRM COc1ccc(O)c(/C=N\[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001599598742 993784594 /nfs/dbraw/zinc/78/45/94/993784594.db2.gz RZNRILZNHXFZSJ-QREGZJMFSA-N -1 0 338.363 2.997 20 30 EFEDRM C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593112698 993788386 /nfs/dbraw/zinc/78/83/86/993788386.db2.gz PSOMCPGYTBZNMF-SSDOTTSWSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001593114905 993795414 /nfs/dbraw/zinc/79/54/14/993795414.db2.gz FTPFLEYZMARLDF-LBPRGKRZSA-N -1 0 339.351 2.904 20 30 EFEDRM COc1ccc(OC(F)F)c(CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599600596 993809536 /nfs/dbraw/zinc/80/95/36/993809536.db2.gz QPLXIOZGDFSYFE-UHFFFAOYSA-N -1 0 349.293 2.874 20 30 EFEDRM C[C@@H](NC(=O)c1cscc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593188679 994102153 /nfs/dbraw/zinc/10/21/53/994102153.db2.gz GRGFCUCTKYWSRR-BXUZGUMPSA-N -1 0 328.393 2.682 20 30 EFEDRM COc1ccc2c(c1)C(=NOCc1cc(C(=O)[O-])c(C)o1)CCO2 ZINC001599625425 994141513 /nfs/dbraw/zinc/14/15/13/994141513.db2.gz ILONSNHHHQBULE-UHFFFAOYSA-N -1 0 331.324 2.998 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])n1C)CCO2 ZINC001599625915 994148135 /nfs/dbraw/zinc/14/81/35/994148135.db2.gz LFQWIAZQTNIZRG-PKNBQFBNSA-N -1 0 327.336 2.781 20 30 EFEDRM COc1ccc2cc(/C=C/C(=O)N(CC#N)CCC(=O)[O-])ccc2c1 ZINC001599635875 994287994 /nfs/dbraw/zinc/28/79/94/994287994.db2.gz UOTHQAYUORJGNR-XVNBXDOJSA-N -1 0 338.363 2.688 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001599643580 994392703 /nfs/dbraw/zinc/39/27/03/994392703.db2.gz JUSZIICUNNDEBO-LSDHHAIUSA-N -1 0 337.331 2.974 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C#Cc2cccs2)c1 ZINC001599648750 994463046 /nfs/dbraw/zinc/46/30/46/994463046.db2.gz CYGWIWMDIGKICR-GOSISDBHSA-N -1 0 343.404 2.615 20 30 EFEDRM COC(=O)[C@H](c1cccc(Cl)c1Cl)N(CC#N)CCC(=O)[O-] ZINC001598715731 995404246 /nfs/dbraw/zinc/40/42/46/995404246.db2.gz NMSAHALAQPGNIL-ZDUSSCGKSA-N -1 0 345.182 2.508 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N(C)c1ccccc1 ZINC001593610791 995804463 /nfs/dbraw/zinc/80/44/63/995804463.db2.gz JRFUSRJQKWRAQN-CYBMUJFWSA-N -1 0 326.352 2.787 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC001593611876 995811393 /nfs/dbraw/zinc/81/13/93/995811393.db2.gz WWOXYBZOAXJBNZ-XEZPLFJOSA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593612637 995816686 /nfs/dbraw/zinc/81/66/86/995816686.db2.gz XNQGYZBTCFMHRK-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)c2cccc(F)c2C#N)cc1F)C(=O)[O-] ZINC001593633328 995922624 /nfs/dbraw/zinc/92/26/24/995922624.db2.gz FGZLUGSPSUZLKR-VIFPVBQESA-N -1 0 346.289 2.941 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)c2cccc(F)c2C#N)cc1F)C(=O)[O-] ZINC001593633327 995922774 /nfs/dbraw/zinc/92/27/74/995922774.db2.gz FGZLUGSPSUZLKR-SECBINFHSA-N -1 0 346.289 2.941 20 30 EFEDRM C[C@H](Sc1nc(C(=O)[O-])cs1)C(=O)Nc1ccccc1C#N ZINC001593680420 996108699 /nfs/dbraw/zinc/10/86/99/996108699.db2.gz ZJCFKIFGVUVIFM-QMMMGPOBSA-N -1 0 333.394 2.832 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001593698002 996159611 /nfs/dbraw/zinc/15/96/11/996159611.db2.gz COEYYPADVJBGRN-JTQLQIEISA-N -1 0 344.396 2.867 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593698105 996161067 /nfs/dbraw/zinc/16/10/67/996161067.db2.gz FWRFDYVKDLQUAT-CYBMUJFWSA-N -1 0 332.400 2.738 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593698798 996167343 /nfs/dbraw/zinc/16/73/43/996167343.db2.gz NLSOMYABCHKCQF-BLLLJJGKSA-N -1 0 329.400 2.762 20 30 EFEDRM CC1(C)CC[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)OC1 ZINC001593875902 996696028 /nfs/dbraw/zinc/69/60/28/996696028.db2.gz HDOCDTSMBCLCEB-CYBMUJFWSA-N -1 0 331.368 2.895 20 30 EFEDRM CC1(C)CCc2sc(NC(=O)CCSCC(=O)[O-])c(C#N)c21 ZINC001593924486 996850182 /nfs/dbraw/zinc/85/01/82/996850182.db2.gz LNYRORVFPSLZGL-UHFFFAOYSA-N -1 0 338.454 2.990 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C#N)c(Cl)n2)c1F ZINC001599490902 996937482 /nfs/dbraw/zinc/93/74/82/996937482.db2.gz ZVMVAZBDOFFQBY-UHFFFAOYSA-N -1 0 349.705 2.705 20 30 EFEDRM COc1cc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)cc1OC ZINC001599389843 997012911 /nfs/dbraw/zinc/01/29/11/997012911.db2.gz LAXUAWKGKVFJJO-WAYWQWQTSA-N -1 0 329.352 2.945 20 30 EFEDRM COc1cc(C)cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C ZINC001599391587 997046650 /nfs/dbraw/zinc/04/66/50/997046650.db2.gz AOGYTLRSDPUCQN-UHFFFAOYSA-N -1 0 331.372 2.534 20 30 EFEDRM COCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC001599294634 997117930 /nfs/dbraw/zinc/11/79/30/997117930.db2.gz HTVZDWCWXYZLSN-KRWDZBQOSA-N -1 0 326.352 2.951 20 30 EFEDRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C#N)cc1 ZINC001599401190 997217368 /nfs/dbraw/zinc/21/73/68/997217368.db2.gz UMJXMECWCQHLDA-UITAMQMPSA-N -1 0 337.331 2.926 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])/N=C/c2cccc(O)c2O)c(OC)c1 ZINC001599508837 997260223 /nfs/dbraw/zinc/26/02/23/997260223.db2.gz XJVZVBPGSHQVPV-FVOVHSBVSA-N -1 0 345.351 2.750 20 30 EFEDRM COc1cc(CNC(=O)NCC2(C#N)CCCCC2)ccc1C(=O)[O-] ZINC001599413954 997471421 /nfs/dbraw/zinc/47/14/21/997471421.db2.gz SVIOGUPUPDJMEK-UHFFFAOYSA-N -1 0 345.399 2.667 20 30 EFEDRM CON(C)C(=O)CCC(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599316044 997503338 /nfs/dbraw/zinc/50/33/38/997503338.db2.gz VBVJNZNYTLKEHD-UHFFFAOYSA-N -1 0 327.768 2.626 20 30 EFEDRM COCC[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(C)o1 ZINC001599218977 997632333 /nfs/dbraw/zinc/63/23/33/997632333.db2.gz VOUKNVZXOPJDKF-NVXWUHKLSA-N -1 0 328.368 2.953 20 30 EFEDRM COc1cc(F)cc(C[C@@H](C)Nc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599426053 997677392 /nfs/dbraw/zinc/67/73/92/997677392.db2.gz CHEZVHRRAFTJIX-SNVBAGLBSA-N -1 0 329.331 2.842 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cn1C ZINC001598928627 997699784 /nfs/dbraw/zinc/69/97/84/997699784.db2.gz VBVJFGNYSUTJKB-UHFFFAOYSA-N -1 0 335.747 2.609 20 30 EFEDRM CO[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001599123088 997777808 /nfs/dbraw/zinc/77/78/08/997777808.db2.gz PVITXIJNUSONRH-GJZGRUSLSA-N -1 0 341.329 2.621 20 30 EFEDRM CO[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001599123090 997778014 /nfs/dbraw/zinc/77/80/14/997778014.db2.gz PVITXIJNUSONRH-LSDHHAIUSA-N -1 0 341.329 2.621 20 30 EFEDRM COCCN(C)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC001599231385 997863286 /nfs/dbraw/zinc/86/32/86/997863286.db2.gz SQWYZIYEXIQUBB-HWKANZROSA-N -1 0 346.408 2.820 20 30 EFEDRM COc1c(NC(=O)NCC2CCC(C#N)CC2)cccc1C(=O)[O-] ZINC001599339837 997903174 /nfs/dbraw/zinc/90/31/74/997903174.db2.gz AMZGVIKCHRVFFK-UHFFFAOYSA-N -1 0 331.372 2.845 20 30 EFEDRM CC1(c2cc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)no2)CCCC1 ZINC001594069817 997903964 /nfs/dbraw/zinc/90/39/64/997903964.db2.gz OWPLRESPWOZRFC-UHFFFAOYSA-N -1 0 346.387 2.729 20 30 EFEDRM COc1cc(NC(=O)NCc2cc(C#N)ccc2F)ccc1C(=O)[O-] ZINC001599439674 997911368 /nfs/dbraw/zinc/91/13/68/997911368.db2.gz OJTQQQQZKHDUGN-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cc1ccc(C#N)cc1 ZINC001599546493 997931163 /nfs/dbraw/zinc/93/11/63/997931163.db2.gz OMVMUPPHOYNMFK-CLFYSBASSA-N -1 0 337.331 2.813 20 30 EFEDRM COc1c(NC(=O)Nc2ccc(OCC#N)cc2)cccc1C(=O)[O-] ZINC001599342201 997940189 /nfs/dbraw/zinc/94/01/89/997940189.db2.gz HZXKMFGUNZPCBI-UHFFFAOYSA-N -1 0 341.323 2.940 20 30 EFEDRM COC(=O)c1cc(NC(=O)C2(C#N)CCCCC2)cc(C(=O)[O-])c1 ZINC001598942134 997994108 /nfs/dbraw/zinc/99/41/08/997994108.db2.gz OJZVUEWQQODVAC-UHFFFAOYSA-N -1 0 330.340 2.584 20 30 EFEDRM COc1cc(OC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1C#N ZINC001599445698 998004881 /nfs/dbraw/zinc/00/48/81/998004881.db2.gz FYDJFPCMYJRAAE-KXBFYZLASA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(OC(=O)CCc2ccccc2C(=O)[O-])ccc1C#N ZINC001599446230 998014323 /nfs/dbraw/zinc/01/43/23/998014323.db2.gz WBSWGRUPUIYTII-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM COc1cc(C#N)ccc1CNc1cc(C(=O)[O-])cc(OC)c1OC ZINC001599347845 998040072 /nfs/dbraw/zinc/04/00/72/998040072.db2.gz MFFKVINIKJFGDV-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599348787 998057397 /nfs/dbraw/zinc/05/73/97/998057397.db2.gz BGBWLIDIWZLYAR-UHFFFAOYSA-N -1 0 340.335 2.673 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001599348853 998058553 /nfs/dbraw/zinc/05/85/53/998058553.db2.gz CMLFSRYKBSYHBI-UHFFFAOYSA-N -1 0 326.308 2.526 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001599349037 998061024 /nfs/dbraw/zinc/06/10/24/998061024.db2.gz GPFJDHRFEVDYOK-UHFFFAOYSA-N -1 0 343.364 2.851 20 30 EFEDRM Cc1cc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)[O-])ccc1C#N ZINC001594095271 998063735 /nfs/dbraw/zinc/06/37/35/998063735.db2.gz HHZIRWNMIUHFTB-INIZCTEOSA-N -1 0 325.368 2.702 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599349319 998065460 /nfs/dbraw/zinc/06/54/60/998065460.db2.gz OEIRESWQACJLKU-UHFFFAOYSA-N -1 0 346.726 2.876 20 30 EFEDRM COc1cc(C(=O)/C=C/c2cc(C)c(OCC(=O)[O-])c(C)c2)on1 ZINC001599349802 998072492 /nfs/dbraw/zinc/07/24/92/998072492.db2.gz CMBKXPRLPBQWMF-SNAWJCMRSA-N -1 0 331.324 2.660 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(NC3CC(CC(=O)[O-])C3)c2c1 ZINC001599449839 998073746 /nfs/dbraw/zinc/07/37/46/998073746.db2.gz SSMSIYWYNWEXIC-UHFFFAOYSA-N -1 0 341.367 2.789 20 30 EFEDRM COc1cc(C#N)ccc1Oc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001599350068 998077885 /nfs/dbraw/zinc/07/78/85/998077885.db2.gz ADQHSMSBSAPTJA-UHFFFAOYSA-N -1 0 329.268 2.669 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001599350404 998083656 /nfs/dbraw/zinc/08/36/56/998083656.db2.gz PLISAIIBBZRYMK-UHFFFAOYSA-N -1 0 346.364 2.653 20 30 EFEDRM COc1cc(OC)cc([C@H](Sc2cc(C#N)ccn2)C(=O)[O-])c1 ZINC001599451379 998108480 /nfs/dbraw/zinc/10/84/80/998108480.db2.gz DCCUQXSITZJCIZ-HNNXBMFYSA-N -1 0 330.365 2.888 20 30 EFEDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(C#N)cc2c1C ZINC001599149014 998262564 /nfs/dbraw/zinc/26/25/64/998262564.db2.gz LZBBLLMXSNPUDJ-QGZVFWFLSA-N -1 0 346.408 2.691 20 30 EFEDRM COc1ccc(CNC(=O)/C=C/c2ccccc2C#N)cc1C(=O)[O-] ZINC001599565032 998270113 /nfs/dbraw/zinc/27/01/13/998270113.db2.gz DTQPDXCKKRBLKR-VQHVLOKHSA-N -1 0 336.347 2.595 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1C#N ZINC001599569224 998337997 /nfs/dbraw/zinc/33/79/97/998337997.db2.gz DPCPUBFCWXNOOQ-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(C(=O)[O-])n1C ZINC001599260989 998384998 /nfs/dbraw/zinc/38/49/98/998384998.db2.gz QLOKKEYFLWDNQW-VQHVLOKHSA-N -1 0 347.342 2.784 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC001599371157 998412239 /nfs/dbraw/zinc/41/22/39/998412239.db2.gz PJRFEVQWDXSCAB-LLVKDONJSA-N -1 0 340.335 2.671 20 30 EFEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC001594155633 998562453 /nfs/dbraw/zinc/56/24/53/998562453.db2.gz DEAZMJCEQMZBFF-CBAPKCEASA-N -1 0 327.167 2.800 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(/C=C\C(=O)[O-])o2)c1C ZINC001599274012 998583768 /nfs/dbraw/zinc/58/37/68/998583768.db2.gz HUOZPTQCCVTDOA-VRHVFUOLSA-N -1 0 344.367 2.733 20 30 EFEDRM COC(=O)c1cccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)c1C#N ZINC001598995951 998779474 /nfs/dbraw/zinc/77/94/74/998779474.db2.gz MJJDRWRQMXXYOW-QGZVFWFLSA-N -1 0 338.363 2.603 20 30 EFEDRM COC(=O)c1cnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001599009824 998888187 /nfs/dbraw/zinc/88/81/87/998888187.db2.gz XVVALTQARNPUGK-NSHDSACASA-N -1 0 334.378 2.719 20 30 EFEDRM COC(=O)c1sc(C)cc1OCc1cccc(C(=O)[O-])c1C#N ZINC001599021385 998982434 /nfs/dbraw/zinc/98/24/34/998982434.db2.gz WZNVMGAJAYPKMJ-UHFFFAOYSA-N -1 0 331.349 2.992 20 30 EFEDRM CO[C@H](Cc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599058862 999250416 /nfs/dbraw/zinc/25/04/16/999250416.db2.gz OJBHBBVJQKULIT-QGZVFWFLSA-N -1 0 339.347 2.557 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001573302055 1087742293 /nfs/dbraw/zinc/74/22/93/1087742293.db2.gz ISZUBWXJOPDABM-INIZCTEOSA-N -1 0 344.411 2.628 20 30 EFEDRM CCC1(CC)CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)CC1 ZINC001646673633 1088054934 /nfs/dbraw/zinc/05/49/34/1088054934.db2.gz VMIHMLJLEBOEJM-UHFFFAOYSA-N -1 0 340.431 2.861 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001646703728 1088118201 /nfs/dbraw/zinc/11/82/01/1088118201.db2.gz ZGRXKTQNNCLBHF-GFCCVEGCSA-N -1 0 326.404 2.564 20 30 EFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C1CCC1 ZINC001646855743 1088394072 /nfs/dbraw/zinc/39/40/72/1088394072.db2.gz RRVHQNRKABSEKE-UHFFFAOYSA-N -1 0 326.404 2.562 20 30 EFEDRM C[C@H]1CC(Sc2nc(N)c(-c3nn[nH]n3)cc2C#N)C[C@H](C)C1 ZINC001575969874 1088815896 /nfs/dbraw/zinc/81/58/96/1088815896.db2.gz MFKNAZWRUHZBNS-RKDXNWHRSA-N -1 0 329.433 2.632 20 30 EFEDRM C[C@H]1C[C@H](Sc2nc(N)c(-c3nn[nH]n3)cc2C#N)C[C@@H](C)C1 ZINC001575969872 1088816903 /nfs/dbraw/zinc/81/69/03/1088816903.db2.gz MFKNAZWRUHZBNS-JZYVYDRUSA-N -1 0 329.433 2.632 20 30 EFEDRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001647073406 1088829613 /nfs/dbraw/zinc/82/96/13/1088829613.db2.gz XRYNKNCIJZPYSR-UHFFFAOYSA-N -1 0 346.433 2.540 20 30 EFEDRM CCC(C)(C)c1ccc(CNc2cnc(-c3nn[nH]n3)c(C#N)n2)cc1 ZINC001576545566 1089321901 /nfs/dbraw/zinc/32/19/01/1089321901.db2.gz JXQJKBYAIOQCGZ-UHFFFAOYSA-N -1 0 348.414 2.828 20 30 EFEDRM CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cc(C)ccc1C ZINC001577000024 1089573423 /nfs/dbraw/zinc/57/34/23/1089573423.db2.gz ZXWGQJPVJUYQQO-ZDUSSCGKSA-N -1 0 334.387 2.708 20 30 EFEDRM CCCCCCCCNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001577504981 1090015957 /nfs/dbraw/zinc/01/59/57/1090015957.db2.gz HJGHDXSUFLPYFS-UHFFFAOYSA-N -1 0 331.420 2.966 20 30 EFEDRM CCCCN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001649273987 1092297779 /nfs/dbraw/zinc/29/77/79/1092297779.db2.gz YTPCXEBIFLVMMM-UHFFFAOYSA-N -1 0 340.431 2.954 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000588482868 1092330980 /nfs/dbraw/zinc/33/09/80/1092330980.db2.gz YEXMODXIVHBCSO-POHAHGRESA-N -1 0 336.804 2.863 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nnn[n-]3)cc2)c1 ZINC001585693764 1092547203 /nfs/dbraw/zinc/54/72/03/1092547203.db2.gz QAALAFRQZZHBAT-UHFFFAOYSA-N -1 0 348.366 2.825 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1 ZINC001649711509 1092612663 /nfs/dbraw/zinc/61/26/63/1092612663.db2.gz BKZOPLTWDRLIMG-UHFFFAOYSA-N -1 0 339.323 2.550 20 30 EFEDRM C#CCCCCCCn1cc(-c2nnn[n-]2)c2ccsc2c1=O ZINC001588345517 1092933228 /nfs/dbraw/zinc/93/32/28/1092933228.db2.gz CWJZFDGZYYSQAL-UHFFFAOYSA-N -1 0 327.413 2.827 20 30 EFEDRM C=C1CC(C)(c2noc(C3(c4cccc(-c5nn[nH]n5)c4)CC3)n2)C1 ZINC001588456287 1092946933 /nfs/dbraw/zinc/94/69/33/1092946933.db2.gz KSBLOXPDXUTRIF-UHFFFAOYSA-N -1 0 334.383 2.937 20 30 EFEDRM C=C(CC)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001588441944 1092947404 /nfs/dbraw/zinc/94/74/04/1092947404.db2.gz KCCARCFTYJVTPH-OAHLLOKOSA-N -1 0 326.404 2.510 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001588455584 1092947483 /nfs/dbraw/zinc/94/74/83/1092947483.db2.gz AFDZISILPLWKHV-VVLHAWIVSA-N -1 0 335.411 2.680 20 30 EFEDRM C#CCOc1ccccc1NC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001588504997 1092952688 /nfs/dbraw/zinc/95/26/88/1092952688.db2.gz QOSCCJDGCUMRGH-UHFFFAOYSA-N -1 0 325.324 2.744 20 30 EFEDRM C=CCC(C)(C)CNC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588539415 1092954165 /nfs/dbraw/zinc/95/41/65/1092954165.db2.gz KFPRXUHMIVEYGR-UHFFFAOYSA-N -1 0 341.828 2.700 20 30 EFEDRM C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588539311 1092954752 /nfs/dbraw/zinc/95/47/52/1092954752.db2.gz GLNZYDXMFACZAK-GFCCVEGCSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588539174 1092955488 /nfs/dbraw/zinc/95/54/88/1092955488.db2.gz AVTRCKMFAZQUTJ-ZDUSSCGKSA-N -1 0 327.432 2.764 20 30 EFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588547778 1092958313 /nfs/dbraw/zinc/95/83/13/1092958313.db2.gz MQSPTCZBAFSTHB-QGZVFWFLSA-N -1 0 340.379 2.947 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC001588552808 1092958730 /nfs/dbraw/zinc/95/87/30/1092958730.db2.gz ATCVHLBNJYPHJU-GWJCSSMESA-N -1 0 329.805 2.650 20 30 EFEDRM C=CCCCCSc1nc(C(=O)OCC)ccc1-c1nn[nH]n1 ZINC001588601496 1092966906 /nfs/dbraw/zinc/96/69/06/1092966906.db2.gz OJADCIHCCOHPNC-UHFFFAOYSA-N -1 0 333.417 2.887 20 30 EFEDRM C=CCCCNc1c(-c2nn[nH]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588600436 1092967127 /nfs/dbraw/zinc/96/71/27/1092967127.db2.gz BDSGITSZTJWVSH-UHFFFAOYSA-N -1 0 334.305 2.632 20 30 EFEDRM C=CCCCCCn1cc(Br)cc(-c2nnn[n-]2)c1=O ZINC001588596388 1092967510 /nfs/dbraw/zinc/96/75/10/1092967510.db2.gz PHTMDKPWPBCZTD-UHFFFAOYSA-N -1 0 338.209 2.537 20 30 EFEDRM C=CCCCN(CC)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001588601452 1092968138 /nfs/dbraw/zinc/96/81/38/1092968138.db2.gz MEBKPGJCPALNHD-UHFFFAOYSA-N -1 0 332.383 2.504 20 30 EFEDRM C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001588601976 1092968336 /nfs/dbraw/zinc/96/83/36/1092968336.db2.gz XLIFUUQDYYCIOA-JKSUJKDBSA-N -1 0 325.416 2.785 20 30 EFEDRM C=CCCN(Cc1cncc(-c2nn[nH]n2)c1)OCc1ccccc1 ZINC001588603368 1092968523 /nfs/dbraw/zinc/96/85/23/1092968523.db2.gz MBBFSZOSRNUQKE-UHFFFAOYSA-N -1 0 336.399 2.772 20 30 EFEDRM C=CCN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)c(C)c2)SC1=S ZINC001588654875 1092974509 /nfs/dbraw/zinc/97/45/09/1092974509.db2.gz QFCUMSPNCNXLDK-XYOKQWHBSA-N -1 0 343.437 2.562 20 30 EFEDRM CC#CCCCCOC(=O)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001588746200 1092983392 /nfs/dbraw/zinc/98/33/92/1092983392.db2.gz NKCAJWIZAPUMNG-UHFFFAOYSA-N -1 0 342.374 2.774 20 30 EFEDRM CC(C)c1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)co1 ZINC001588781122 1092991202 /nfs/dbraw/zinc/99/12/02/1092991202.db2.gz FZHCYLNBVPTDMW-UHFFFAOYSA-N -1 0 344.379 2.926 20 30 EFEDRM Cc1cncc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001588781216 1092993432 /nfs/dbraw/zinc/99/34/32/1092993432.db2.gz MVXPUMUHHAOIHT-UHFFFAOYSA-N -1 0 326.364 2.518 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2c(O)cccc2F)o1 ZINC001588781184 1092993531 /nfs/dbraw/zinc/99/35/31/1092993531.db2.gz KGUVDGYNYUWCBN-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001588881725 1092998875 /nfs/dbraw/zinc/99/88/75/1092998875.db2.gz FKJPTGQAQXGBLI-JXMROGBWSA-N -1 0 333.351 2.721 20 30 EFEDRM CC(C)[C@@H]1CCC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001589507368 1093097277 /nfs/dbraw/zinc/09/72/77/1093097277.db2.gz JDLXGWGGSZAGMP-NEPJUHHUSA-N -1 0 326.408 2.545 20 30 EFEDRM CCN(c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC)C1CCCC1 ZINC001650294341 1093118973 /nfs/dbraw/zinc/11/89/73/1093118973.db2.gz ANBJASHQKMZEQP-UHFFFAOYSA-N -1 0 326.404 2.706 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC=CCc2ccco2)o1 ZINC001589664694 1093122530 /nfs/dbraw/zinc/12/25/30/1093122530.db2.gz VKRPQPMJVMRWGI-LEGCWVATSA-N -1 0 327.348 2.757 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001650298902 1093123485 /nfs/dbraw/zinc/12/34/85/1093123485.db2.gz OPNAZWNGNJFYPG-SNVBAGLBSA-N -1 0 348.357 2.561 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCC(F)(F)C(F)(F)F)o1 ZINC001589774036 1093142679 /nfs/dbraw/zinc/14/26/79/1093142679.db2.gz RMMYSRFSOLHAIV-UHFFFAOYSA-N -1 0 339.228 2.573 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCC(F)(F)C2)o1 ZINC001589774109 1093142934 /nfs/dbraw/zinc/14/29/34/1093142934.db2.gz SFGURKWGPXKKEA-QMMMGPOBSA-N -1 0 325.323 2.811 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(-c3nn[nH]n3)c2)n1 ZINC001589774191 1093143535 /nfs/dbraw/zinc/14/35/35/1093143535.db2.gz YNBOMOKVBHONBT-SECBINFHSA-N -1 0 344.425 2.998 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001650320560 1093150968 /nfs/dbraw/zinc/15/09/68/1093150968.db2.gz GYMYDYSSRUXWKE-PVUWLOKVSA-N -1 0 341.411 2.688 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001650321027 1093151149 /nfs/dbraw/zinc/15/11/49/1093151149.db2.gz LBHZCNPFBAUDLC-WBVHZDCISA-N -1 0 341.411 2.974 20 30 EFEDRM CC(CC(F)(F)F)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001589798580 1093152670 /nfs/dbraw/zinc/15/26/70/1093152670.db2.gz ISDUFEDERPOQTF-UHFFFAOYSA-N -1 0 331.302 2.892 20 30 EFEDRM C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589914852 1093178848 /nfs/dbraw/zinc/17/88/48/1093178848.db2.gz VOZWFQPXVSIOEV-LGQZLYSRSA-N -1 0 338.327 2.661 20 30 EFEDRM CC1(C)CC(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001590083999 1093256920 /nfs/dbraw/zinc/25/69/20/1093256920.db2.gz RJMFVFQAZXKAPG-UHFFFAOYSA-N -1 0 326.408 2.545 20 30 EFEDRM CC1(C)CCc2onc(CNc3c(C#N)cccc3-c3nn[nH]n3)c2C1 ZINC001590099864 1093269707 /nfs/dbraw/zinc/26/97/07/1093269707.db2.gz IKQLKOOZXLXJDT-UHFFFAOYSA-N -1 0 349.398 2.853 20 30 EFEDRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000588569761 1093305186 /nfs/dbraw/zinc/30/51/86/1093305186.db2.gz DETKBNZMLYXLOC-KMKOMSMNSA-N -1 0 346.330 2.738 20 30 EFEDRM CC[C@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001590409574 1093407587 /nfs/dbraw/zinc/40/75/87/1093407587.db2.gz LVPRBSRXBCBAMD-FZMZJTMJSA-N -1 0 337.387 2.688 20 30 EFEDRM CC(C)(C)c1ccc([C@H](O)CCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001590479615 1093448760 /nfs/dbraw/zinc/44/87/60/1093448760.db2.gz COZOCIWZHUKLQU-MRXNPFEDSA-N -1 0 346.427 2.625 20 30 EFEDRM CCCCCN(CCCCC)c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001590596868 1093504956 /nfs/dbraw/zinc/50/49/56/1093504956.db2.gz WRFXSOOYZAFNCA-UHFFFAOYSA-N -1 0 328.424 2.715 20 30 EFEDRM CCCCCCCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001590594956 1093506674 /nfs/dbraw/zinc/50/66/74/1093506674.db2.gz YEPXPOJAGLOSQH-UHFFFAOYSA-N -1 0 338.433 2.854 20 30 EFEDRM CCOc1cc(Nc2c(C#N)cccc2-c2nn[nH]n2)ccc1OC ZINC001590828196 1093586348 /nfs/dbraw/zinc/58/63/48/1093586348.db2.gz JGOOSRHOSOXXAG-UHFFFAOYSA-N -1 0 336.355 2.889 20 30 EFEDRM CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccc(C)c(F)c1 ZINC001590868558 1093605994 /nfs/dbraw/zinc/60/59/94/1093605994.db2.gz ANZHTCZVZKJZQM-LBPRGKRZSA-N -1 0 338.350 2.539 20 30 EFEDRM CN(Cc1cc(C#N)cs1)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001591130360 1093667098 /nfs/dbraw/zinc/66/70/98/1093667098.db2.gz KPYNDIIABCDEQD-UHFFFAOYSA-N -1 0 337.821 2.546 20 30 EFEDRM COCC[C@@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001591403328 1093718112 /nfs/dbraw/zinc/71/81/12/1093718112.db2.gz ZYYGAVLRANOGLS-JTQLQIEISA-N -1 0 333.396 2.583 20 30 EFEDRM COc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001591647808 1093817815 /nfs/dbraw/zinc/81/78/15/1093817815.db2.gz IZMCXHWDZSZOTD-UHFFFAOYSA-N -1 0 341.375 2.607 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc(Cl)n1 ZINC001591958685 1093932937 /nfs/dbraw/zinc/93/29/37/1093932937.db2.gz JZTFUEFFLXVQCH-UHFFFAOYSA-N -1 0 346.782 2.781 20 30 EFEDRM Cc1cc(F)ccc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001591991687 1093949939 /nfs/dbraw/zinc/94/99/39/1093949939.db2.gz FGYNYNHMTYMDSU-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001592113207 1093984239 /nfs/dbraw/zinc/98/42/39/1093984239.db2.gz IVAOHQJJGUBQDY-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cc1ccc(Br)c(N2CCC[C@@H](C#N)C2)c1-c1nn[nH]n1 ZINC001592112488 1093984600 /nfs/dbraw/zinc/98/46/00/1093984600.db2.gz QKVNBPAAWNEXBR-JTQLQIEISA-N -1 0 347.220 2.678 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[nH]n1 ZINC001592132238 1093990298 /nfs/dbraw/zinc/99/02/98/1093990298.db2.gz BWGVSLLEHAFWFZ-LBPRGKRZSA-N -1 0 333.351 2.965 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1ccc([O-])c(F)c1 ZINC001592794859 1094189465 /nfs/dbraw/zinc/18/94/65/1094189465.db2.gz SQHMXASFASTPSW-XQRVVYSFSA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC001593284221 1094264990 /nfs/dbraw/zinc/26/49/90/1094264990.db2.gz YMSLKUQCMFZZRO-PLNGDYQASA-N -1 0 326.337 2.523 20 30 EFEDRM O=C([O-])c1cccc(C=NNc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC001593283371 1094265860 /nfs/dbraw/zinc/26/58/60/1094265860.db2.gz PNDVXSSQCBXHOT-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nn[nH]n2)cn1 ZINC001593538794 1094350053 /nfs/dbraw/zinc/35/00/53/1094350053.db2.gz HCMMFTMNEZBUDC-YAXRCOADSA-N -1 0 349.181 2.893 20 30 EFEDRM Cc1c(C(=O)[O-])csc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC001600003913 1094714355 /nfs/dbraw/zinc/71/43/55/1094714355.db2.gz FEXKBQDUODWPBA-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)sc2nccn12 ZINC001600005981 1094715477 /nfs/dbraw/zinc/71/54/77/1094715477.db2.gz ZMTXRGZLBTYCKV-LBPRGKRZSA-N -1 0 341.348 2.559 20 30 EFEDRM Cc1c(Cl)cnc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1C#N ZINC001600017499 1094723574 /nfs/dbraw/zinc/72/35/74/1094723574.db2.gz HINVBAMAHVANRN-GFCCVEGCSA-N -1 0 333.697 2.759 20 30 EFEDRM Cc1c(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC001600027984 1094727929 /nfs/dbraw/zinc/72/79/29/1094727929.db2.gz QIOOOZSEONGNIM-SFHVURJKSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1c(NC(=O)N[C@H](C)CC#N)ccc(Br)c1C(=O)[O-] ZINC001600039086 1094734744 /nfs/dbraw/zinc/73/47/44/1094734744.db2.gz DFSKAMQPOPYZCY-SSDOTTSWSA-N -1 0 340.177 2.879 20 30 EFEDRM Cc1c(NC(=O)NCC#C[C@@H]2CCCCO2)ccc(F)c1C(=O)[O-] ZINC001600041597 1094736217 /nfs/dbraw/zinc/73/62/17/1094736217.db2.gz QWSQIZCCIUSOOE-LBPRGKRZSA-N -1 0 334.347 2.526 20 30 EFEDRM Cc1c(NN=Cc2nccn2CC(F)(F)F)cccc1C(=O)[O-] ZINC001600050717 1094743836 /nfs/dbraw/zinc/74/38/36/1094743836.db2.gz IWGHLGKIFNSFEP-UHFFFAOYSA-N -1 0 326.278 2.898 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001600074590 1094753922 /nfs/dbraw/zinc/75/39/22/1094753922.db2.gz KXPVKEALUDSPLX-UHFFFAOYSA-N -1 0 328.412 2.869 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001600074761 1094753973 /nfs/dbraw/zinc/75/39/73/1094753973.db2.gz ROHBGJMQPDWVGX-UHFFFAOYSA-N -1 0 348.362 2.931 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001600075134 1094754059 /nfs/dbraw/zinc/75/40/59/1094754059.db2.gz JKPJNAYISSKXDZ-ZDUSSCGKSA-N -1 0 338.363 2.821 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001600076285 1094755495 /nfs/dbraw/zinc/75/54/95/1094755495.db2.gz RLBJAJPIZQFYMQ-UHFFFAOYSA-N -1 0 332.319 2.760 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001600075308 1094755518 /nfs/dbraw/zinc/75/55/18/1094755518.db2.gz RSXJYAJNGHDOBG-INIZCTEOSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1cc(C(=O)/C=C\c2cc(C)c(OCC(=O)[O-])c(C)c2)n(C)n1 ZINC001600075672 1094755941 /nfs/dbraw/zinc/75/59/41/1094755941.db2.gz KXDCCCAWMQPLTJ-WAYWQWQTSA-N -1 0 328.368 2.705 20 30 EFEDRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc(C)c1C#N ZINC001600078978 1094757849 /nfs/dbraw/zinc/75/78/49/1094757849.db2.gz DIQJTXJQOXYFJW-KRWDZBQOSA-N -1 0 336.347 2.668 20 30 EFEDRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ncc1C#N ZINC001600085270 1094761934 /nfs/dbraw/zinc/76/19/34/1094761934.db2.gz YAHNDNZXQAAZIU-IRXDYDNUSA-N -1 0 335.363 2.692 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc(C)c1C#N ZINC001600086164 1094762023 /nfs/dbraw/zinc/76/20/23/1094762023.db2.gz PTAVKBUQXUNWCP-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc(C)c1C#N ZINC001600097775 1094768639 /nfs/dbraw/zinc/76/86/39/1094768639.db2.gz XQYQALISYSCWIC-KRWDZBQOSA-N -1 0 336.391 2.991 20 30 EFEDRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ncc1C#N ZINC001600101705 1094772383 /nfs/dbraw/zinc/77/23/83/1094772383.db2.gz PDCOLHLWXVFCQR-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC001600123472 1094787210 /nfs/dbraw/zinc/78/72/10/1094787210.db2.gz KPMXTDGOMCCLBY-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](C)c2ccccc2F)ncc1C#N ZINC001600133897 1094793756 /nfs/dbraw/zinc/79/37/56/1094793756.db2.gz AKMUWKGSKVSMEX-BZNIZROVSA-N -1 0 342.326 2.815 20 30 EFEDRM Cc1cc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c(C)o1 ZINC001600143640 1094802335 /nfs/dbraw/zinc/80/23/35/1094802335.db2.gz PGWQJZFUEWIJKJ-SNVBAGLBSA-N -1 0 348.380 2.506 20 30 EFEDRM Cc1cc(C)c(C#N)c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)n1 ZINC001600147356 1094807794 /nfs/dbraw/zinc/80/77/94/1094807794.db2.gz QITGWZAGEVNFSX-MNOVXSKESA-N -1 0 327.306 2.660 20 30 EFEDRM Cc1cc(C)n([C@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001600177214 1094842046 /nfs/dbraw/zinc/84/20/46/1094842046.db2.gz BARHBSAIFKVJTR-CYBMUJFWSA-N -1 0 341.367 2.764 20 30 EFEDRM Cc1cc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)ncc1C#N ZINC001600242795 1094912152 /nfs/dbraw/zinc/91/21/52/1094912152.db2.gz AQCGPRJCUVNZBG-LSDHHAIUSA-N -1 0 343.333 2.845 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)nn1CCC#N ZINC001600271867 1094932499 /nfs/dbraw/zinc/93/24/99/1094932499.db2.gz BOBPPXQUZJDMKW-UHFFFAOYSA-N -1 0 331.307 2.587 20 30 EFEDRM Cc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n(CCC#N)n1 ZINC001600273465 1094933316 /nfs/dbraw/zinc/93/33/16/1094933316.db2.gz QSKAVWOHHCGUQV-UHFFFAOYSA-N -1 0 332.747 2.709 20 30 EFEDRM Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])o2)c(C#N)cc1N(C)C ZINC001600272196 1094933770 /nfs/dbraw/zinc/93/37/70/1094933770.db2.gz SCJGSKHZQVBNHG-UHFFFAOYSA-N -1 0 342.355 2.546 20 30 EFEDRM Cc1cc(NCc2cccc(C(=O)[O-])c2C#N)nn1CC(F)(F)F ZINC001600282735 1094941656 /nfs/dbraw/zinc/94/16/56/1094941656.db2.gz SCUZXVAUYMHEKE-UHFFFAOYSA-N -1 0 338.289 2.936 20 30 EFEDRM Cc1cc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001600282902 1094942714 /nfs/dbraw/zinc/94/27/14/1094942714.db2.gz JVVVPUHUKBAPOY-OCCSQVGLSA-N -1 0 344.415 2.698 20 30 EFEDRM Cc1cc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1C#N ZINC001600285323 1094944392 /nfs/dbraw/zinc/94/43/92/1094944392.db2.gz JXJCZBQXXGUACS-UHFFFAOYSA-N -1 0 326.264 2.692 20 30 EFEDRM Cc1cc2occ(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2cc1C ZINC001600310635 1094961151 /nfs/dbraw/zinc/96/11/51/1094961151.db2.gz IGPXIQNMNFBBSV-UHFFFAOYSA-N -1 0 326.352 2.880 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001600328570 1094975676 /nfs/dbraw/zinc/97/56/76/1094975676.db2.gz BEQUDTZXXNNQNM-FEAKQIBJSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001600328503 1094975981 /nfs/dbraw/zinc/97/59/81/1094975981.db2.gz KGUIFKQQHIXRHN-LLVKDONJSA-N -1 0 341.392 2.765 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001600328862 1094976063 /nfs/dbraw/zinc/97/60/63/1094976063.db2.gz ICBXJOBQJPETFJ-RXQFDZFGSA-N -1 0 341.338 2.815 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2cc(C#N)ccc2C)n1C ZINC001600328853 1094976079 /nfs/dbraw/zinc/97/60/79/1094976079.db2.gz UXNVKKWXQKLMHJ-UHFFFAOYSA-N -1 0 326.356 2.534 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001600328986 1094977117 /nfs/dbraw/zinc/97/71/17/1094977117.db2.gz ZZFGWLXCKQKMDU-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1C#N ZINC001600334368 1094981097 /nfs/dbraw/zinc/98/10/97/1094981097.db2.gz RFCHSIKSNQPALT-ZWKOTPCHSA-N -1 0 334.375 2.807 20 30 EFEDRM Cc1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1C#N ZINC001600337921 1094982355 /nfs/dbraw/zinc/98/23/55/1094982355.db2.gz QPFWAHHHOVDPAT-LJQANCHMSA-N -1 0 340.354 2.822 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1C#N ZINC001600336700 1094982691 /nfs/dbraw/zinc/98/26/91/1094982691.db2.gz CLQVBGYJNVXPIX-RDTXWAMCSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001600371777 1095012220 /nfs/dbraw/zinc/01/22/20/1095012220.db2.gz DHLWAPDUOFEYFP-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001600375392 1095015446 /nfs/dbraw/zinc/01/54/46/1095015446.db2.gz GNNUKTWFKAGUKQ-ROUUACIJSA-N -1 0 336.391 2.977 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)c2cccc(F)c2C#N)C(=O)[O-])cc1 ZINC001600377011 1095016050 /nfs/dbraw/zinc/01/60/50/1095016050.db2.gz GXRHLBDZDHUESO-HNNXBMFYSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2F)C(=O)[O-])cc1 ZINC001600377069 1095016262 /nfs/dbraw/zinc/01/62/62/1095016262.db2.gz HHLNSFFPKKXPNA-HNNXBMFYSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1ccc(CCCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001600407315 1095041604 /nfs/dbraw/zinc/04/16/04/1095041604.db2.gz ZJXHANCMFHWKPB-UHFFFAOYSA-N -1 0 328.412 2.925 20 30 EFEDRM Cc1ccc(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1C#N ZINC001600417573 1095051844 /nfs/dbraw/zinc/05/18/44/1095051844.db2.gz ZBVGSUNCRGGDNT-UHFFFAOYSA-N -1 0 349.350 2.763 20 30 EFEDRM Cc1ccc(COCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001600421213 1095052019 /nfs/dbraw/zinc/05/20/19/1095052019.db2.gz KFAXQZUTLAYKQH-SFHVURJKSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1ccc(Cl)cc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600423397 1095055088 /nfs/dbraw/zinc/05/50/88/1095055088.db2.gz FMOOWZQHSLIGKD-UHFFFAOYSA-N -1 0 335.791 2.548 20 30 EFEDRM Cc1oc(CON=CC(=O)Nc2cc(F)ccc2C)cc1C(=O)[O-] ZINC001600430269 1095058989 /nfs/dbraw/zinc/05/89/89/1095058989.db2.gz LKHHAUNHPNBBHN-UHFFFAOYSA-N -1 0 334.303 2.875 20 30 EFEDRM Cc1ccc(OS(=O)(=O)Cc2ccc(F)cc2C#N)c(C(=O)[O-])c1 ZINC001600472502 1095094674 /nfs/dbraw/zinc/09/46/74/1095094674.db2.gz RTLOYQMPJKUBDU-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC001600483697 1095099825 /nfs/dbraw/zinc/09/98/25/1095099825.db2.gz ZVPDGFDYPRCMAP-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cccc(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001600543911 1095151278 /nfs/dbraw/zinc/15/12/78/1095151278.db2.gz AFYBBLQEKIQFQF-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)Cc3ccccc3C(=O)[O-])nc21 ZINC001600555303 1095160237 /nfs/dbraw/zinc/16/02/37/1095160237.db2.gz PPMSPHSVTBMNHT-CQSZACIVSA-N -1 0 333.347 2.989 20 30 EFEDRM CO[N-]C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000785362418 1095213435 /nfs/dbraw/zinc/21/34/35/1095213435.db2.gz NQSDUCRKBCGGRW-UHFFFAOYSA-N -1 0 345.742 2.620 20 30 EFEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ncc(Cl)n2C)s1 ZINC001649247982 1095234720 /nfs/dbraw/zinc/23/47/20/1095234720.db2.gz KHVVIGMYZSYFIH-SECBINFHSA-N -1 0 338.820 2.865 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N1CCC[C@@H](CC#N)C1 ZINC001600651370 1095236783 /nfs/dbraw/zinc/23/67/83/1095236783.db2.gz XVDVGAJFXQUSHV-RYUDHWBXSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Oc1cc(F)cc(C#N)c1 ZINC001600655732 1095239873 /nfs/dbraw/zinc/23/98/73/1095239873.db2.gz RVGMVKXIRMDBSA-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1nc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)ccc1C#N ZINC001600682110 1095256297 /nfs/dbraw/zinc/25/62/97/1095256297.db2.gz JDZQJCCSSUNFFI-SFHVURJKSA-N -1 0 345.358 2.971 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)ccc1C#N ZINC001600684775 1095259157 /nfs/dbraw/zinc/25/91/57/1095259157.db2.gz XQKPHMOGXLTVNQ-UHFFFAOYSA-N -1 0 345.742 2.631 20 30 EFEDRM Cc1nc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ccc1C#N ZINC001600684722 1095259349 /nfs/dbraw/zinc/25/93/49/1095259349.db2.gz UOBPXEVWIGCXTK-UHFFFAOYSA-N -1 0 344.396 2.966 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1Nc1nc(C)c(C#N)cc1Cl ZINC001600717925 1095285350 /nfs/dbraw/zinc/28/53/50/1095285350.db2.gz PPQKHKCQCJTYDI-UHFFFAOYSA-N -1 0 333.779 2.947 20 30 EFEDRM Cc1nc(NCc2cccc(OCC(=O)[O-])c2)c(Cl)cc1C#N ZINC001600717594 1095285601 /nfs/dbraw/zinc/28/56/01/1095285601.db2.gz ILVBBFAOAUWKPA-UHFFFAOYSA-N -1 0 331.759 2.991 20 30 EFEDRM Cc1nc2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2o1 ZINC001600727209 1095293789 /nfs/dbraw/zinc/29/37/89/1095293789.db2.gz FSANGZZSDZVPOP-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1nc2sccn2c1CN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001600733448 1095297508 /nfs/dbraw/zinc/29/75/08/1095297508.db2.gz QWGGYAIJLVSHOT-UHFFFAOYSA-N -1 0 340.408 2.906 20 30 EFEDRM Cc1nn(-c2cc(C#N)ccc2Br)c(C)c1CC(=O)[O-] ZINC001600762159 1095315489 /nfs/dbraw/zinc/31/54/89/1095315489.db2.gz JVGZBMSBSJKSII-UHFFFAOYSA-N -1 0 334.173 2.750 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NN[C@@H]1CCc2c1cccc2F ZINC001600784787 1095330031 /nfs/dbraw/zinc/33/00/31/1095330031.db2.gz SYOGEYQBFHTYME-QGZVFWFLSA-N -1 0 344.390 2.725 20 30 EFEDRM Cc1nnc(-c2cccc(NCc3cccc(C(=O)[O-])c3C#N)c2)n1C ZINC001600791560 1095336108 /nfs/dbraw/zinc/33/61/08/1095336108.db2.gz VGHNCXZOTFLQNR-UHFFFAOYSA-N -1 0 347.378 2.973 20 30 EFEDRM Cc1nnc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C#N)c1C ZINC001600799784 1095339932 /nfs/dbraw/zinc/33/99/32/1095339932.db2.gz XQJNTZXDLCIBML-UHFFFAOYSA-N -1 0 344.352 2.864 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001600822630 1095356896 /nfs/dbraw/zinc/35/68/96/1095356896.db2.gz VCKIAOMYLDGGPR-GFCCVEGCSA-N -1 0 326.352 2.823 20 30 EFEDRM Cc1oc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1C(=O)[O-] ZINC001600851453 1095382257 /nfs/dbraw/zinc/38/22/57/1095382257.db2.gz ODARZBIZDFSEFS-SNVBAGLBSA-N -1 0 343.339 2.899 20 30 EFEDRM Cc1onc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1C#N ZINC001600864562 1095388208 /nfs/dbraw/zinc/38/82/08/1095388208.db2.gz PSEAWWVFOMMXMW-UHFFFAOYSA-N -1 0 341.348 2.949 20 30 EFEDRM Cc1sc(N2CCCN(c3ccccc3C#N)CC2)nc1C(=O)[O-] ZINC001600881554 1095402935 /nfs/dbraw/zinc/40/29/35/1095402935.db2.gz YRLLGGMLZHETBA-UHFFFAOYSA-N -1 0 342.424 2.738 20 30 EFEDRM Cc1sc(NC(=O)CN(CC(=O)[O-])C2CCCCC2)c(C#N)c1C ZINC001600885967 1095407304 /nfs/dbraw/zinc/40/73/04/1095407304.db2.gz KFVLTBYAVLYYLY-UHFFFAOYSA-N -1 0 349.456 2.894 20 30 EFEDRM Cc1sc(NC(=O)CN(C)[C@@H]2CCC[C@H]2C#N)c(C(=O)[O-])c1C ZINC001600885851 1095407371 /nfs/dbraw/zinc/40/73/71/1095407371.db2.gz QEVKBUBELGODHE-NWDGAFQWSA-N -1 0 335.429 2.626 20 30 EFEDRM Cn1c2ncccc2c(NC(=O)c2cc(C#N)ccc2F)c1C(=O)[O-] ZINC001600900274 1095414388 /nfs/dbraw/zinc/41/43/88/1095414388.db2.gz DTODDHDUHZOHGB-UHFFFAOYSA-N -1 0 338.298 2.535 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)o1 ZINC001600910372 1095422514 /nfs/dbraw/zinc/42/25/14/1095422514.db2.gz HANAFSBPLXRXDF-ZDUSSCGKSA-N -1 0 327.340 2.555 20 30 EFEDRM Cn1c(Cl)cnc1[C@@H](C#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC001600917840 1095428928 /nfs/dbraw/zinc/42/89/28/1095428928.db2.gz KGFINCUXKXGWFS-LBPRGKRZSA-N -1 0 331.759 2.581 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001600927635 1095433457 /nfs/dbraw/zinc/43/34/57/1095433457.db2.gz XMSCEOOJTRUOMM-OAHLLOKOSA-N -1 0 331.416 2.830 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)s1 ZINC000835945661 1095443265 /nfs/dbraw/zinc/44/32/65/1095443265.db2.gz XVTOQRHNHWJXMT-UHFFFAOYSA-N -1 0 326.443 2.650 20 30 EFEDRM Cn1cc(NC(=O)c2ccc(Br)cc2C#N)cc1C(=O)[O-] ZINC001600966472 1095449449 /nfs/dbraw/zinc/44/94/49/1095449449.db2.gz XLFBLLWNBNVWKF-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM Cn1cc(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc1C(=O)[O-] ZINC001600966697 1095449800 /nfs/dbraw/zinc/44/98/00/1095449800.db2.gz WLQMHTXNBTZWAF-UHFFFAOYSA-N -1 0 346.268 2.726 20 30 EFEDRM N#C[C@H](C(=O)C12CC(C(=O)[O-])(C1)C2)c1nc2ccccc2n1C(F)F ZINC001601045313 1095477427 /nfs/dbraw/zinc/47/74/27/1095477427.db2.gz AHGKJSBFMPHSPC-QIGGRQAVSA-N -1 0 345.305 2.863 20 30 EFEDRM N#CC(C(=O)CCCn1ccc(C(=O)[O-])n1)c1nc(C2CC2)cs1 ZINC001601045335 1095477603 /nfs/dbraw/zinc/47/76/03/1095477603.db2.gz ASXDHZDEVHMQAZ-NSHDSACASA-N -1 0 344.396 2.572 20 30 EFEDRM N#C[C@@H](C(=O)C12CC(C(=O)[O-])(C1)C2)c1nc2ccccc2n1C(F)F ZINC001601045316 1095477702 /nfs/dbraw/zinc/47/77/02/1095477702.db2.gz AHGKJSBFMPHSPC-VGXVPSNOSA-N -1 0 345.305 2.863 20 30 EFEDRM N#CC(C(=O)Cc1cccc(C(=O)[O-])c1)c1cnc2ccccc2n1 ZINC001601046857 1095478632 /nfs/dbraw/zinc/47/86/32/1095478632.db2.gz DZBLOBJZABLRMO-AWEZNQCLSA-N -1 0 331.331 2.747 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC001601049303 1095479635 /nfs/dbraw/zinc/47/96/35/1095479635.db2.gz KUAGXHOTPXJUBR-NVXWUHKLSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001601049533 1095479656 /nfs/dbraw/zinc/47/96/56/1095479656.db2.gz ZGOARBDXNSVSCB-MRXNPFEDSA-N -1 0 326.327 2.838 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001601049633 1095479833 /nfs/dbraw/zinc/47/98/33/1095479833.db2.gz NUMXZMIKNHSLTL-CVEARBPZSA-N -1 0 338.363 2.819 20 30 EFEDRM N#CC1(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC2(CC2)C1 ZINC001601050274 1095479991 /nfs/dbraw/zinc/47/99/91/1095479991.db2.gz KEKOJHPOWDBBGI-NSHDSACASA-N -1 0 345.424 2.631 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001601049688 1095480144 /nfs/dbraw/zinc/48/01/44/1095480144.db2.gz PCIRGYQWDHEVNE-FUHWJXTLSA-N -1 0 349.390 2.621 20 30 EFEDRM N#C[C@@]1(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)CC12CCCC2 ZINC001601050528 1095480153 /nfs/dbraw/zinc/48/01/53/1095480153.db2.gz SZPBJJXXWAQJQM-GOSISDBHSA-N -1 0 343.383 2.553 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC001601048386 1095480171 /nfs/dbraw/zinc/48/01/71/1095480171.db2.gz DXKBSUHJDNCRAA-INIZCTEOSA-N -1 0 344.392 2.558 20 30 EFEDRM N#C[C@@H](COC(=O)c1cccc(CC(=O)[O-])c1)Cc1cccs1 ZINC001601048875 1095480180 /nfs/dbraw/zinc/48/01/80/1095480180.db2.gz QXTJQYFEOFGVOH-ZDUSSCGKSA-N -1 0 329.377 2.914 20 30 EFEDRM N#C[C@]1(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)CC12CCCC2 ZINC001601050530 1095480231 /nfs/dbraw/zinc/48/02/31/1095480231.db2.gz SZPBJJXXWAQJQM-SFHVURJKSA-N -1 0 343.383 2.553 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)CC1 ZINC001601049476 1095480259 /nfs/dbraw/zinc/48/02/59/1095480259.db2.gz RQPRLPJCULJCDI-UHFFFAOYSA-N -1 0 342.729 2.649 20 30 EFEDRM N#C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001601049532 1095480268 /nfs/dbraw/zinc/48/02/68/1095480268.db2.gz ZGOARBDXNSVSCB-INIZCTEOSA-N -1 0 326.327 2.838 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC001601051240 1095481473 /nfs/dbraw/zinc/48/14/73/1095481473.db2.gz IADYZWUZPJEBSI-HNNXBMFYSA-N -1 0 327.384 2.538 20 30 EFEDRM N#C[C@]1(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CC2CCC1CC2 ZINC001601050792 1095481493 /nfs/dbraw/zinc/48/14/93/1095481493.db2.gz MLABJRNAOTZGON-CLIRUNRCSA-N -1 0 348.428 2.604 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC001601051079 1095481722 /nfs/dbraw/zinc/48/17/22/1095481722.db2.gz BJELMKYSABSJDD-UHFFFAOYSA-N -1 0 341.194 2.753 20 30 EFEDRM N#CC1(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)CCC1 ZINC001601050786 1095481778 /nfs/dbraw/zinc/48/17/78/1095481778.db2.gz LOAFAVOJHVJEBS-UHFFFAOYSA-N -1 0 341.136 2.919 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3ncsc3c2)CC1 ZINC001601051884 1095481801 /nfs/dbraw/zinc/48/18/01/1095481801.db2.gz GTXLQFAOPHAXCD-UHFFFAOYSA-N -1 0 330.369 2.519 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC001601051372 1095481894 /nfs/dbraw/zinc/48/18/94/1095481894.db2.gz MROSDHUZZRNFHD-OAHLLOKOSA-N -1 0 341.411 2.506 20 30 EFEDRM N#CC1(CCOC(=O)CCCn2ccc(C(=O)[O-])n2)CCCCC1 ZINC001601053865 1095482641 /nfs/dbraw/zinc/48/26/41/1095482641.db2.gz AINZBTKTVCKCKU-UHFFFAOYSA-N -1 0 333.388 2.769 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2nn3cc(C4CCCC4)nc3s2)CC1 ZINC001601053702 1095482662 /nfs/dbraw/zinc/48/26/62/1095482662.db2.gz PDPQCAUPFIWNNW-UHFFFAOYSA-N -1 0 345.428 2.643 20 30 EFEDRM N#CC1(CC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001601054132 1095483159 /nfs/dbraw/zinc/48/31/59/1095483159.db2.gz ATOKKNNMKHIDDP-UONOGXRCSA-N -1 0 332.787 2.660 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(C(F)F)c(F)c2)CC1 ZINC001601055336 1095483228 /nfs/dbraw/zinc/48/32/28/1095483228.db2.gz JBIPFQHIUUPJJP-UHFFFAOYSA-N -1 0 326.274 2.594 20 30 EFEDRM N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001601057870 1095484604 /nfs/dbraw/zinc/48/46/04/1095484604.db2.gz FIGOYWCALXGMNZ-LJQANCHMSA-N -1 0 339.370 2.976 20 30 EFEDRM N#CC1(CNS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CCCCC1 ZINC001601055864 1095484833 /nfs/dbraw/zinc/48/48/33/1095484833.db2.gz DYFUJJYFONDLLY-TWGQIWQCSA-N -1 0 348.424 2.537 20 30 EFEDRM N#CC[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601060424 1095486045 /nfs/dbraw/zinc/48/60/45/1095486045.db2.gz HKKKNBKXUWEAOY-GJYPPUQNSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@@H](CC(=O)NC1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC001601060300 1095486348 /nfs/dbraw/zinc/48/63/48/1095486348.db2.gz BKUMYLBHWCJRTI-AWEZNQCLSA-N -1 0 332.425 2.541 20 30 EFEDRM N#CCC1(CS(=O)(=O)Oc2cccc3cc(C(=O)[O-])ccc32)CC1 ZINC001601061986 1095486367 /nfs/dbraw/zinc/48/63/67/1095486367.db2.gz CJHIDZCFJOHNKB-UHFFFAOYSA-N -1 0 345.376 2.940 20 30 EFEDRM N#CC[C@@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601062410 1095486724 /nfs/dbraw/zinc/48/67/24/1095486724.db2.gz PZDHGURWUPITDT-ZDUSSCGKSA-N -1 0 341.319 2.791 20 30 EFEDRM N#CCC1(CNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001601063308 1095486781 /nfs/dbraw/zinc/48/67/81/1095486781.db2.gz ZQZCLAROKHHUKQ-UHFFFAOYSA-N -1 0 325.727 2.993 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC001601067048 1095487750 /nfs/dbraw/zinc/48/77/50/1095487750.db2.gz OVFQQEBRJPMTCQ-ZDUSSCGKSA-N -1 0 349.337 2.783 20 30 EFEDRM N#CCC[C@H](C#N)CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001601064424 1095487906 /nfs/dbraw/zinc/48/79/06/1095487906.db2.gz XAKPXSCZORHDTQ-CYBMUJFWSA-N -1 0 332.429 2.539 20 30 EFEDRM N#CCC[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001601066230 1095487924 /nfs/dbraw/zinc/48/79/24/1095487924.db2.gz HZGSFVSKQISFOE-JJTUDDRGSA-N -1 0 341.411 2.830 20 30 EFEDRM N#CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001601065286 1095488446 /nfs/dbraw/zinc/48/84/46/1095488446.db2.gz HVOWWEIJDIWYNK-UHFFFAOYSA-N -1 0 345.277 2.751 20 30 EFEDRM N#CCC1CN(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001601064150 1095488470 /nfs/dbraw/zinc/48/84/70/1095488470.db2.gz MXLAGNIPHRUYQA-GFCCVEGCSA-N -1 0 341.289 2.543 20 30 EFEDRM N#CCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001601064611 1095488494 /nfs/dbraw/zinc/48/84/94/1095488494.db2.gz CUMXWAMIEFESBP-MRXNPFEDSA-N -1 0 327.384 2.754 20 30 EFEDRM N#CCCCOc1cccc(CNc2c(=O)[nH]ccc2C(=O)[O-])c1 ZINC001601065399 1095488576 /nfs/dbraw/zinc/48/85/76/1095488576.db2.gz JLWQZJFXWPQAJM-UHFFFAOYSA-N -1 0 327.340 2.780 20 30 EFEDRM N#CCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001601066195 1095488623 /nfs/dbraw/zinc/48/86/23/1095488623.db2.gz HBMANGNLCYFHIC-UHFFFAOYSA-N -1 0 328.290 2.812 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccc(Br)cc1Cl ZINC001601070790 1095489671 /nfs/dbraw/zinc/48/96/71/1095489671.db2.gz VYXCZQSRNYFTDA-UHFFFAOYSA-N -1 0 345.580 2.543 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001601070941 1095489705 /nfs/dbraw/zinc/48/97/05/1095489705.db2.gz MTUKNTDHDNDHPA-UHFFFAOYSA-N -1 0 340.301 2.564 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001601069909 1095489861 /nfs/dbraw/zinc/48/98/61/1095489861.db2.gz HBMLVKKECNBSNX-UHFFFAOYSA-N -1 0 328.412 2.715 20 30 EFEDRM N#CCCCn1cc(C(=O)NC2(CC(=O)[O-])CC2)c2ccccc21 ZINC001601067420 1095490057 /nfs/dbraw/zinc/49/00/57/1095490057.db2.gz VWBUZEDXTJHMQU-UHFFFAOYSA-N -1 0 325.368 2.682 20 30 EFEDRM N#CCCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601068520 1095490074 /nfs/dbraw/zinc/49/00/74/1095490074.db2.gz DRRSXJUCESWUSH-XOUADPBQSA-N -1 0 327.384 2.764 20 30 EFEDRM N#CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001601075596 1095491032 /nfs/dbraw/zinc/49/10/32/1095491032.db2.gz GNYHAXZVQKHMBG-HNNXBMFYSA-N -1 0 328.393 2.729 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001601073681 1095491055 /nfs/dbraw/zinc/49/10/55/1095491055.db2.gz IINNBGTURDEEDS-UHFFFAOYSA-N -1 0 349.362 2.885 20 30 EFEDRM N#CCSCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001601076086 1095491194 /nfs/dbraw/zinc/49/11/94/1095491194.db2.gz NLLYFXCXCVMIBL-NSHDSACASA-N -1 0 333.287 2.788 20 30 EFEDRM N#CCOc1cccc(CC(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001601073785 1095491307 /nfs/dbraw/zinc/49/13/07/1095491307.db2.gz AEMNAKFQPNDMHV-UHFFFAOYSA-N -1 0 344.411 2.815 20 30 EFEDRM N#CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001601074379 1095491406 /nfs/dbraw/zinc/49/14/06/1095491406.db2.gz VJKXBBFHSTZADR-ZDUSSCGKSA-N -1 0 345.380 2.988 20 30 EFEDRM N#CCOc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001601075579 1095491558 /nfs/dbraw/zinc/49/15/58/1095491558.db2.gz LLUNTJRVOIKCSA-UHFFFAOYSA-N -1 0 328.368 2.953 20 30 EFEDRM N#CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001601074378 1095492007 /nfs/dbraw/zinc/49/20/07/1095492007.db2.gz VJKXBBFHSTZADR-CYBMUJFWSA-N -1 0 345.380 2.988 20 30 EFEDRM N#CCc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001601076746 1095492827 /nfs/dbraw/zinc/49/28/27/1095492827.db2.gz QERMEIRNLBBRDW-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001601077834 1095492846 /nfs/dbraw/zinc/49/28/46/1095492846.db2.gz DBIJRRZORGRXGG-UHFFFAOYSA-N -1 0 330.290 2.910 20 30 EFEDRM N#CCc1ccccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001601078418 1095492949 /nfs/dbraw/zinc/49/29/49/1095492949.db2.gz LXRSQTHTUTYEAH-NSHDSACASA-N -1 0 341.392 2.651 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001601077156 1095492967 /nfs/dbraw/zinc/49/29/67/1095492967.db2.gz NULDNXPJWXZQQJ-UHFFFAOYSA-N -1 0 345.305 2.780 20 30 EFEDRM N#CCc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001601077187 1095492980 /nfs/dbraw/zinc/49/29/80/1095492980.db2.gz PHUSGMHIEKABHT-RDTXWAMCSA-N -1 0 327.384 2.861 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1ccc(C(=O)[O-])s1)C2 ZINC001601077469 1095493277 /nfs/dbraw/zinc/49/32/77/1095493277.db2.gz CEYNPCGWBQZOBG-UHFFFAOYSA-N -1 0 326.377 2.711 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc([N+](=O)[O-])s2)cccc1C(=O)[O-] ZINC001601080458 1095494480 /nfs/dbraw/zinc/49/44/80/1095494480.db2.gz NUHQPDWYCZRWBF-UHFFFAOYSA-N -1 0 332.293 2.583 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1F ZINC001601080632 1095494804 /nfs/dbraw/zinc/49/48/04/1095494804.db2.gz GVFVCBGLFXJZJR-UHFFFAOYSA-N -1 0 342.301 2.733 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001601078630 1095494868 /nfs/dbraw/zinc/49/48/68/1095494868.db2.gz SXXPUKMYASBPLV-UHFFFAOYSA-N -1 0 330.290 2.910 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1F ZINC001601080780 1095494907 /nfs/dbraw/zinc/49/49/07/1095494907.db2.gz JEYRWVWOWGQQPL-UHFFFAOYSA-N -1 0 344.317 2.784 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601078672 1095494969 /nfs/dbraw/zinc/49/49/69/1095494969.db2.gz VNKPGWOUMNKQIG-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM N#CCc1ccsc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001601078779 1095495028 /nfs/dbraw/zinc/49/50/28/1095495028.db2.gz AKAOODMUJJUEFP-UHFFFAOYSA-N -1 0 330.365 2.920 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001601079039 1095495235 /nfs/dbraw/zinc/49/52/35/1095495235.db2.gz DRLOFKCAXBVTSN-WCBMZHEXSA-N -1 0 339.298 2.800 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001601082066 1095496183 /nfs/dbraw/zinc/49/61/83/1095496183.db2.gz UXSDOOMLAZOHDE-UHFFFAOYSA-N -1 0 325.368 2.804 20 30 EFEDRM N#Cc1c(COC(=O)c2cnn(C3CCC3)c2)cccc1C(=O)[O-] ZINC001601081124 1095496445 /nfs/dbraw/zinc/49/64/45/1095496445.db2.gz YKAUFETYYXMBQE-UHFFFAOYSA-N -1 0 325.324 2.535 20 30 EFEDRM N#Cc1c(CNc2ccccc2N2CCCC2=O)cccc1C(=O)[O-] ZINC001601081814 1095496480 /nfs/dbraw/zinc/49/64/80/1095496480.db2.gz MAOAOKANSUSEPR-UHFFFAOYSA-N -1 0 335.363 2.995 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cc1 ZINC001601082500 1095496542 /nfs/dbraw/zinc/49/65/42/1095496542.db2.gz ATNVBWIQRUMTJP-OAHLLOKOSA-N -1 0 340.310 2.789 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1F ZINC001601081474 1095496611 /nfs/dbraw/zinc/49/66/11/1095496611.db2.gz VLJMTZKQTCPHLD-AWEZNQCLSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1c(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])n[nH]c1C1CC1 ZINC001601081079 1095496674 /nfs/dbraw/zinc/49/66/74/1095496674.db2.gz IGBVYSZRCIGCHC-UHFFFAOYSA-N -1 0 349.350 2.519 20 30 EFEDRM N#Cc1c(CN2CCN(Cc3ccsc3)CC2)cccc1C(=O)[O-] ZINC001601082399 1095496850 /nfs/dbraw/zinc/49/68/50/1095496850.db2.gz SJSKPPFVSWCBHB-UHFFFAOYSA-N -1 0 341.436 2.636 20 30 EFEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001601084973 1095497555 /nfs/dbraw/zinc/49/75/55/1095497555.db2.gz JEYGOMYTSYJHAI-OLZOCXBDSA-N -1 0 342.376 2.857 20 30 EFEDRM N#Cc1c(F)cccc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601083021 1095497600 /nfs/dbraw/zinc/49/76/00/1095497600.db2.gz XKUCBGWKICSAOM-LSDHHAIUSA-N -1 0 326.327 2.708 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001601084211 1095497639 /nfs/dbraw/zinc/49/76/39/1095497639.db2.gz NLWUPZJGRFSOGI-PBHICJAKSA-N -1 0 337.379 2.580 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cnc1C(F)(F)F ZINC001601086193 1095499072 /nfs/dbraw/zinc/49/90/72/1095499072.db2.gz BZOKBDVDICXROO-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cs1 ZINC001601086128 1095499162 /nfs/dbraw/zinc/49/91/62/1095499162.db2.gz YNFKLFNXAMRHCE-AWEZNQCLSA-N -1 0 328.393 2.826 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])co1 ZINC001601085854 1095499483 /nfs/dbraw/zinc/49/94/83/1095499483.db2.gz OKXAJXJFPDTWJO-MRXNPFEDSA-N -1 0 348.358 2.978 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001601088289 1095500585 /nfs/dbraw/zinc/50/05/85/1095500585.db2.gz RGWVTRBUEMKGAW-UHFFFAOYSA-N -1 0 327.258 2.989 20 30 EFEDRM N#Cc1cc(F)c(C(F)(F)F)cc1NC[C@@]1(C(=O)[O-])CCOC1 ZINC001601088223 1095500697 /nfs/dbraw/zinc/50/06/97/1095500697.db2.gz QQQHIPUDMPWHTD-ZDUSSCGKSA-N -1 0 332.253 2.619 20 30 EFEDRM N#Cc1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)ccc1Cl ZINC001601088166 1095500748 /nfs/dbraw/zinc/50/07/48/1095500748.db2.gz WHYZZZJJSNJYNF-UHFFFAOYSA-N -1 0 333.683 2.543 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001601088880 1095500756 /nfs/dbraw/zinc/50/07/56/1095500756.db2.gz JEIXOPDPCLXJCN-SJKOYZFVSA-N -1 0 331.347 2.806 20 30 EFEDRM N#Cc1cc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)ncn1 ZINC001601089493 1095500976 /nfs/dbraw/zinc/50/09/76/1095500976.db2.gz QZDJXKLFZWBEQP-UHFFFAOYSA-N -1 0 337.364 2.782 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001601089222 1095501287 /nfs/dbraw/zinc/50/12/87/1095501287.db2.gz TZLDCEZRLKZSMA-UHFFFAOYSA-N -1 0 331.372 2.784 20 30 EFEDRM N#Cc1cc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])nc(C2CC2)n1 ZINC001601088788 1095501357 /nfs/dbraw/zinc/50/13/57/1095501357.db2.gz DLPKRQMKFKZZPZ-UHFFFAOYSA-N -1 0 326.268 2.624 20 30 EFEDRM N#Cc1cc(F)c(CNc2nnc(CCCC(=O)[O-])s2)c(F)c1 ZINC001601087750 1095501569 /nfs/dbraw/zinc/50/15/69/1095501569.db2.gz KSLITUCTWGLGTC-UHFFFAOYSA-N -1 0 338.339 2.707 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)ccn1 ZINC001601090507 1095502087 /nfs/dbraw/zinc/50/20/87/1095502087.db2.gz FNYUQZZJEUKSKT-CQSZACIVSA-N -1 0 338.367 2.551 20 30 EFEDRM N#Cc1cc(NC[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001601090503 1095502150 /nfs/dbraw/zinc/50/21/50/1095502150.db2.gz FLKHIOZVDJQVBI-NSHDSACASA-N -1 0 335.316 2.947 20 30 EFEDRM N#Cc1cc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)ccn1 ZINC001601090264 1095502257 /nfs/dbraw/zinc/50/22/57/1095502257.db2.gz QXLFUZHJFPVEHL-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1cc2cccnc2nc1N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001601091600 1095502559 /nfs/dbraw/zinc/50/25/59/1095502559.db2.gz TUUYKSARJYNXJG-INIZCTEOSA-N -1 0 332.363 2.999 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC001601091929 1095502877 /nfs/dbraw/zinc/50/28/77/1095502877.db2.gz HHRXCWQZSAJYSY-UHFFFAOYSA-N -1 0 326.333 2.994 20 30 EFEDRM N#Cc1cc(N2CCOc3c(cccc3C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC001601090165 1095503133 /nfs/dbraw/zinc/50/31/33/1095503133.db2.gz MOXZSBYVLIPWBQ-UHFFFAOYSA-N -1 0 345.336 2.625 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC001601094040 1095504277 /nfs/dbraw/zinc/50/42/77/1095504277.db2.gz FEPGPWRVPNIVRR-FPYGCLRLSA-N -1 0 343.360 2.953 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)nc1Cl ZINC001601092105 1095504784 /nfs/dbraw/zinc/50/47/84/1095504784.db2.gz JABCCZZQMPSUEO-NSHDSACASA-N -1 0 341.754 2.825 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001601095452 1095506182 /nfs/dbraw/zinc/50/61/82/1095506182.db2.gz RCKAAXKQIMXIIY-QGZVFWFLSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001601095451 1095506579 /nfs/dbraw/zinc/50/65/79/1095506579.db2.gz RCKAAXKQIMXIIY-KRWDZBQOSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1ccc([C@H](O)CNc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001601095762 1095507110 /nfs/dbraw/zinc/50/71/10/1095507110.db2.gz BQZBEQHJTDEALE-GOSISDBHSA-N -1 0 340.379 2.947 20 30 EFEDRM N#Cc1ccc([C@H](N[C@@H]2c3ccccc3OC[C@H]2F)C(=O)[O-])cc1 ZINC001601096435 1095508162 /nfs/dbraw/zinc/50/81/62/1095508162.db2.gz DODKGYBHBBYPGN-HYVNUMGLSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1ccc([C@H](O)CNc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001601095876 1095508438 /nfs/dbraw/zinc/50/84/38/1095508438.db2.gz FSDAQHWTMVUREN-QGZVFWFLSA-N -1 0 326.352 2.557 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3ccsc3C(=O)[O-])CCO2)cc1 ZINC001601098798 1095509943 /nfs/dbraw/zinc/50/99/43/1095509943.db2.gz YOBHXBDIBYXRQO-OAHLLOKOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3nc(C(=O)[O-])ns3)CCCC2)cc1 ZINC001601097679 1095510005 /nfs/dbraw/zinc/51/00/05/1095510005.db2.gz LLQKJLCLDZAMTH-UHFFFAOYSA-N -1 0 342.380 2.558 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@H](CC3CCCC3)C(=O)[O-])CC2)cc1 ZINC001601097753 1095510585 /nfs/dbraw/zinc/51/05/85/1095510585.db2.gz MSAPIJMPBYOKIX-INIZCTEOSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(=O)[nH]c(C3CC3)c2)C(=O)[O-])cc1 ZINC001601099322 1095511105 /nfs/dbraw/zinc/51/11/05/1095511105.db2.gz MOYPYXRPEGMDDB-MRXNPFEDSA-N -1 0 338.319 2.519 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3c(n2)CCCC3)C(=O)[O-])cc1 ZINC001601099607 1095511149 /nfs/dbraw/zinc/51/11/49/1095511149.db2.gz SAULQBFSZUISIB-QGZVFWFLSA-N -1 0 336.347 2.815 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(=O)[nH]c(C3CC3)c2)C(=O)[O-])cc1 ZINC001601099318 1095511214 /nfs/dbraw/zinc/51/12/14/1095511214.db2.gz MOYPYXRPEGMDDB-INIZCTEOSA-N -1 0 338.319 2.519 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2scnc2C2CC2)C(=O)[O-])cc1 ZINC001601099582 1095511510 /nfs/dbraw/zinc/51/15/10/1095511510.db2.gz RIAWZNGIIQSHJD-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCCc2ccccc2C(=O)[O-])cc1 ZINC001601100376 1095512000 /nfs/dbraw/zinc/51/20/00/1095512000.db2.gz ZLGMMLYSZKQRMD-KRWDZBQOSA-N -1 0 348.358 2.725 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001601100314 1095512065 /nfs/dbraw/zinc/51/20/65/1095512065.db2.gz XYNDQONBEHZXIL-LBPRGKRZSA-N -1 0 325.349 2.639 20 30 EFEDRM N#Cc1ccc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001601102253 1095513134 /nfs/dbraw/zinc/51/31/34/1095513134.db2.gz IGCXPNATEGBYRX-MNOVXSKESA-N -1 0 327.258 2.731 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC001601101218 1095513939 /nfs/dbraw/zinc/51/39/39/1095513939.db2.gz CVHVAJPZWVWBAR-CYBMUJFWSA-N -1 0 347.802 2.608 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001601105389 1095515258 /nfs/dbraw/zinc/51/52/58/1095515258.db2.gz WSXMEMZWRYOQAS-HYVNUMGLSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(N2CCSC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC001601106462 1095515332 /nfs/dbraw/zinc/51/53/32/1095515332.db2.gz VCSLHHZJSOMEKZ-SNVBAGLBSA-N -1 0 341.230 2.575 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001601103666 1095515347 /nfs/dbraw/zinc/51/53/47/1095515347.db2.gz VFMOGWRXCSGHIA-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(F)cc1COC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601105774 1095515555 /nfs/dbraw/zinc/51/55/55/1095515555.db2.gz HUUJMQKGMSMDFS-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1C(F)(F)F ZINC001601107598 1095516453 /nfs/dbraw/zinc/51/64/53/1095516453.db2.gz YWAJYGNZBXFLFW-SNVBAGLBSA-N -1 0 339.273 2.872 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c(Cl)c1 ZINC001601108686 1095516828 /nfs/dbraw/zinc/51/68/28/1095516828.db2.gz UBERBOGUMVUNAA-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC001601108922 1095516997 /nfs/dbraw/zinc/51/69/97/1095516997.db2.gz YSOHCIIHLXYICE-UHFFFAOYSA-N -1 0 335.791 2.527 20 30 EFEDRM N#Cc1ccc(NC(=O)CN(C2CC2)C2(C(=O)[O-])CCC2)cc1Cl ZINC001601106861 1095517160 /nfs/dbraw/zinc/51/71/60/1095517160.db2.gz HOEPBOIDMUROGR-UHFFFAOYSA-N -1 0 347.802 2.622 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2)cc1 ZINC001601108693 1095517201 /nfs/dbraw/zinc/51/72/01/1095517201.db2.gz PCYIUDNYIJGGHX-PIIMJCKOSA-N -1 0 347.374 2.704 20 30 EFEDRM N#Cc1ccc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])c(F)c1 ZINC001601113366 1095517793 /nfs/dbraw/zinc/51/77/93/1095517793.db2.gz AAYDBXBYKCYBRP-OAHLLOKOSA-N -1 0 344.367 2.673 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001601110668 1095517838 /nfs/dbraw/zinc/51/78/38/1095517838.db2.gz DVJUBBWEUDKEJT-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ncc(C(=O)[O-])c3ccccc23)cc1 ZINC001601110118 1095517863 /nfs/dbraw/zinc/51/78/63/1095517863.db2.gz IKBGSGAFTGLYJS-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601110261 1095517938 /nfs/dbraw/zinc/51/79/38/1095517938.db2.gz PMNMHEFYTGENOK-CYBMUJFWSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(OCCOc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC001601110051 1095518153 /nfs/dbraw/zinc/51/81/53/1095518153.db2.gz YSGVSEGHVFXLIS-UHFFFAOYSA-N -1 0 349.346 2.900 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001601110262 1095518555 /nfs/dbraw/zinc/51/85/55/1095518555.db2.gz PMNMHEFYTGENOK-ZDUSSCGKSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NCC2CCCCCC2)c(C(=O)[O-])c1 ZINC001601112329 1095518654 /nfs/dbraw/zinc/51/86/54/1095518654.db2.gz ZBLVZUCEDDNUQC-UHFFFAOYSA-N -1 0 336.413 2.505 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001601109554 1095518803 /nfs/dbraw/zinc/51/88/03/1095518803.db2.gz DBOCYONJFRPABW-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(C(=O)[O-])c1 ZINC001601112513 1095518877 /nfs/dbraw/zinc/51/88/77/1095518877.db2.gz ARBGJGMZRIZMMR-UKRRQHHQSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001601115590 1095519382 /nfs/dbraw/zinc/51/93/82/1095519382.db2.gz YRIXUTLKIGLZNS-ZDUSSCGKSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)OCCCCCC(=O)[O-])n2)c1 ZINC001601114980 1095519862 /nfs/dbraw/zinc/51/98/62/1095519862.db2.gz JOFHEWSAMVFLKB-UHFFFAOYSA-N -1 0 327.340 2.546 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001601114677 1095519871 /nfs/dbraw/zinc/51/98/71/1095519871.db2.gz WEFSZVZYQLYYLB-SFHVURJKSA-N -1 0 349.390 2.786 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001601114743 1095519991 /nfs/dbraw/zinc/51/99/91/1095519991.db2.gz GDRGWNHHOBAACY-RDTXWAMCSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001601115665 1095520251 /nfs/dbraw/zinc/52/02/51/1095520251.db2.gz SJEDAORJYXYILW-OAHLLOKOSA-N -1 0 339.351 2.726 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001601117543 1095520966 /nfs/dbraw/zinc/52/09/66/1095520966.db2.gz CWEJTZAZHILUAJ-PZJWPPBQSA-N -1 0 348.402 2.858 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)n1 ZINC001601116986 1095522014 /nfs/dbraw/zinc/52/20/14/1095522014.db2.gz YIVBRQHKQZPTMI-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NC3(CC(=O)[O-])CCCC3)on2)c1 ZINC001601116589 1095522146 /nfs/dbraw/zinc/52/21/46/1095522146.db2.gz WTZLAQSMQMKOAV-UHFFFAOYSA-N -1 0 339.351 2.731 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC001601116345 1095522213 /nfs/dbraw/zinc/52/22/13/1095522213.db2.gz BVPKRBCFVDEMGX-INIZCTEOSA-N -1 0 342.782 2.541 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C(=O)[O-])c1 ZINC001601118686 1095523139 /nfs/dbraw/zinc/52/31/39/1095523139.db2.gz NAPJQNFZNPXCER-RQJABVFESA-N -1 0 335.306 2.909 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC001601118280 1095523246 /nfs/dbraw/zinc/52/32/46/1095523246.db2.gz UZQGDRKLSSNQKI-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)C(=O)[O-])c1 ZINC001601118684 1095523527 /nfs/dbraw/zinc/52/35/27/1095523527.db2.gz NAPJQNFZNPXCER-MQYQWHSLSA-N -1 0 335.306 2.909 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC001601119084 1095523801 /nfs/dbraw/zinc/52/38/01/1095523801.db2.gz NTEQHUJPBDVMAT-MSOLQXFVSA-N -1 0 328.412 2.965 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2Cc3ccc(F)cc32)C(=O)[O-])c1 ZINC001601119258 1095524152 /nfs/dbraw/zinc/52/41/52/1095524152.db2.gz XMKMVMYYDUIUKL-HZPDHXFCSA-N -1 0 325.295 2.706 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC001601119088 1095524193 /nfs/dbraw/zinc/52/41/93/1095524193.db2.gz NTEQHUJPBDVMAT-QZTJIDSGSA-N -1 0 328.412 2.965 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc([C@@H]3CCC(=O)N3)c2)C(=O)[O-])c1 ZINC001601118363 1095524206 /nfs/dbraw/zinc/52/42/06/1095524206.db2.gz JPUDVZSGWJNZDS-WMZOPIPTSA-N -1 0 335.363 2.747 20 30 EFEDRM N#Cc1cccc(NC2CN(C(=O)CCc3ccccc3C(=O)[O-])C2)c1 ZINC001601120820 1095524934 /nfs/dbraw/zinc/52/49/34/1095524934.db2.gz NTDLGMRVBNZOEL-UHFFFAOYSA-N -1 0 349.390 2.512 20 30 EFEDRM N#Cc1cccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)c1 ZINC001601120162 1095524954 /nfs/dbraw/zinc/52/49/54/1095524954.db2.gz KAGKKQZRRKMDDI-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)c1 ZINC001601120161 1095525055 /nfs/dbraw/zinc/52/50/55/1095525055.db2.gz KAGKKQZRRKMDDI-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001601121112 1095525102 /nfs/dbraw/zinc/52/51/02/1095525102.db2.gz DCPQAFJTRSMACD-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001601121006 1095525595 /nfs/dbraw/zinc/52/55/95/1095525595.db2.gz YRMFGGBAYDAVIB-CYBMUJFWSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001601121001 1095525792 /nfs/dbraw/zinc/52/57/92/1095525792.db2.gz YJLLVDIYTQQYJX-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1cccc(NC(=O)CCSCc2cccc(C(=O)[O-])n2)c1 ZINC001601120710 1095526122 /nfs/dbraw/zinc/52/61/22/1095526122.db2.gz HJNDSPNVIIYXTE-UHFFFAOYSA-N -1 0 341.392 2.913 20 30 EFEDRM N#Cc1cccc(OCC(=O)OCc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001601121331 1095526823 /nfs/dbraw/zinc/52/68/23/1095526823.db2.gz IKDJBILKUIJXLN-UHFFFAOYSA-N -1 0 347.273 2.657 20 30 EFEDRM N#Cc1cccc(OC2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)c1 ZINC001601121347 1095527025 /nfs/dbraw/zinc/52/70/25/1095527025.db2.gz JAVDDCPHZWJJHY-UHFFFAOYSA-N -1 0 348.362 2.571 20 30 EFEDRM N#Cc1cccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)c1F ZINC001601122928 1095527340 /nfs/dbraw/zinc/52/73/40/1095527340.db2.gz UAVDBTSBDYMXJP-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1cccc(N(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C2CCC2)c1 ZINC001601122496 1095527389 /nfs/dbraw/zinc/52/73/89/1095527389.db2.gz OTIGKXQMGOTYHF-WMLDXEAASA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1cccc(Cl)c1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601122630 1095527479 /nfs/dbraw/zinc/52/74/79/1095527479.db2.gz RKUZPWVSFPWNED-UHFFFAOYSA-N -1 0 338.816 2.627 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001601121829 1095527521 /nfs/dbraw/zinc/52/75/21/1095527521.db2.gz YZFSNESTCLNBHF-UHFFFAOYSA-N -1 0 341.348 2.539 20 30 EFEDRM N#Cc1cccc(OCCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001601123411 1095527733 /nfs/dbraw/zinc/52/77/33/1095527733.db2.gz AKBOJRPAKUOLPJ-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601124582 1095528495 /nfs/dbraw/zinc/52/84/95/1095528495.db2.gz UCCXNNOWBJLHQY-OXQOHEQNSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001601124165 1095528713 /nfs/dbraw/zinc/52/87/13/1095528713.db2.gz FKTUHMIJCCVVAV-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001601124221 1095528800 /nfs/dbraw/zinc/52/88/00/1095528800.db2.gz HAKLRJHNWIHGAE-ZWKOTPCHSA-N -1 0 334.375 2.719 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)c21 ZINC001601124175 1095528832 /nfs/dbraw/zinc/52/88/32/1095528832.db2.gz FXJPXBWMXFGUKL-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1 ZINC001601124469 1095529067 /nfs/dbraw/zinc/52/90/67/1095529067.db2.gz MAYAZVFCUORMNH-OKZBNKHCSA-N -1 0 346.386 2.952 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC001601124138 1095529299 /nfs/dbraw/zinc/52/92/99/1095529299.db2.gz DLQASASYOXOGAN-GZBFAFLISA-N -1 0 326.377 2.665 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC001601124289 1095529359 /nfs/dbraw/zinc/52/93/59/1095529359.db2.gz JCDGOOODCLZKNA-ZWKOTPCHSA-N -1 0 349.390 2.560 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NCc1ccccc1C(=O)[O-] ZINC001601124609 1095529371 /nfs/dbraw/zinc/52/93/71/1095529371.db2.gz VJRWFEOLQOOPDZ-UHFFFAOYSA-N -1 0 330.290 2.665 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001601126368 1095530714 /nfs/dbraw/zinc/53/07/14/1095530714.db2.gz WANYURHBPOJBOZ-DOJUMQAQSA-N -1 0 334.375 2.774 20 30 EFEDRM N#Cc1cccnc1N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601127975 1095530744 /nfs/dbraw/zinc/53/07/44/1095530744.db2.gz BSKCGDWBXKFBOG-LSDHHAIUSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001601127891 1095531010 /nfs/dbraw/zinc/53/10/10/1095531010.db2.gz XLKIPLYNQOSTLH-ZDUSSCGKSA-N -1 0 328.299 2.503 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@@]1(C(=O)[O-])CCOC1 ZINC001601129931 1095533021 /nfs/dbraw/zinc/53/30/21/1095533021.db2.gz AHWRUISVFJWLMR-INIZCTEOSA-N -1 0 331.759 2.663 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC001601129823 1095533102 /nfs/dbraw/zinc/53/31/02/1095533102.db2.gz UZVGNURKOLXPEP-NSHDSACASA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1csc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001601130144 1095533289 /nfs/dbraw/zinc/53/32/89/1095533289.db2.gz AVIUONFHBPRHFB-LBPRGKRZSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC001601129822 1095533383 /nfs/dbraw/zinc/53/33/83/1095533383.db2.gz UZVGNURKOLXPEP-LLVKDONJSA-N -1 0 345.405 2.611 20 30 EFEDRM N#Cc1cscc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001601132511 1095534882 /nfs/dbraw/zinc/53/48/82/1095534882.db2.gz ZZVLTFIVKMGTFC-HNNXBMFYSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1nc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])sc1Cl ZINC001601134475 1095536337 /nfs/dbraw/zinc/53/63/37/1095536337.db2.gz RCXKFECNOKKRKJ-SECBINFHSA-N -1 0 337.788 2.729 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1nccn1CCc1ccccc1 ZINC001601135197 1095536562 /nfs/dbraw/zinc/53/65/62/1095536562.db2.gz YSNQLYUFUFYXES-UHFFFAOYSA-N -1 0 347.378 2.703 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(Cn2cccn2)c1 ZINC001601134170 1095536567 /nfs/dbraw/zinc/53/65/67/1095536567.db2.gz BBKFUJJAQCQYRU-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1nn([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001601136116 1095536571 /nfs/dbraw/zinc/53/65/71/1095536571.db2.gz GVTQSANAZKXABV-LLVKDONJSA-N -1 0 341.110 2.644 20 30 EFEDRM N#Cc1nc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1Cl ZINC001601133953 1095536604 /nfs/dbraw/zinc/53/66/04/1095536604.db2.gz AILSMBFCNXMTAX-QGZVFWFLSA-N -1 0 327.771 2.839 20 30 EFEDRM N#Cc1nc(N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)sc1Cl ZINC001601134202 1095536651 /nfs/dbraw/zinc/53/66/51/1095536651.db2.gz LETJZROZIBZJMN-ZCFIWIBFSA-N -1 0 340.817 2.817 20 30 EFEDRM NC(=NOC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(C(=O)[O-])co1 ZINC001601137252 1095537609 /nfs/dbraw/zinc/53/76/09/1095537609.db2.gz YNUALTBQFXTACT-DGCLKSJQSA-N -1 0 336.294 2.664 20 30 EFEDRM NC(=NOCCCC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC001601137072 1095538088 /nfs/dbraw/zinc/53/80/88/1095538088.db2.gz SGHGUKWOPDXXPO-UHFFFAOYSA-N -1 0 328.368 2.767 20 30 EFEDRM NC(=NOCC1(C(=O)[O-])CC1)c1ccc(OCc2ccccc2)cc1 ZINC001601137253 1095538706 /nfs/dbraw/zinc/53/87/06/1095538706.db2.gz YOHJOMIWQZJRIN-UHFFFAOYSA-N -1 0 340.379 2.767 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC001601340631 1095622744 /nfs/dbraw/zinc/62/27/44/1095622744.db2.gz MGDOGQDHSMENRD-UHFFFAOYSA-N -1 0 338.363 2.863 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1Cl ZINC001601447918 1095678285 /nfs/dbraw/zinc/67/82/85/1095678285.db2.gz NFNDDMXRYOFLAE-LBPRGKRZSA-N -1 0 336.775 2.732 20 30 EFEDRM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1CC#Cc1ccccc1Cl ZINC001601865571 1095942298 /nfs/dbraw/zinc/94/22/98/1095942298.db2.gz XPWNWZNDXXRRPX-SFHVURJKSA-N -1 0 341.794 2.909 20 30 EFEDRM O=C([O-])C[C@H](NC(=O)CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001601899325 1095964729 /nfs/dbraw/zinc/96/47/29/1095964729.db2.gz HPZVHAPUNWRZLQ-KRWDZBQOSA-N -1 0 325.339 2.900 20 30 EFEDRM O=C([O-])CC1CC(N=Nc2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC001601942360 1095985920 /nfs/dbraw/zinc/98/59/20/1095985920.db2.gz YXQWAZAWUMOXMQ-UHFFFAOYSA-N -1 0 337.383 2.680 20 30 EFEDRM O=C([O-])CC1CCC(N=Nc2ncc(Br)cn2)CC1 ZINC001601945841 1095986772 /nfs/dbraw/zinc/98/67/72/1095986772.db2.gz HJJCMNNWLYXDCB-UHFFFAOYSA-N -1 0 327.182 2.672 20 30 EFEDRM O=C([O-])CCC1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC001601977155 1096002452 /nfs/dbraw/zinc/00/24/52/1096002452.db2.gz ZURBFMNLISQYDI-CLTKARDFSA-N -1 0 333.359 2.511 20 30 EFEDRM O=C([O-])CCCCC(=NOCc1cc2n(n1)CCC2)C(F)(F)F ZINC001601981408 1096003701 /nfs/dbraw/zinc/00/37/01/1096003701.db2.gz KZFSQOITZARUNQ-UHFFFAOYSA-N -1 0 333.310 2.909 20 30 EFEDRM O=C([O-])CCC[C@@H]1CCCC(N=Nc2ccc(-n3ccnc3)nn2)C1 ZINC001601980535 1096004656 /nfs/dbraw/zinc/00/46/56/1096004656.db2.gz NSOFCRUOMXDTMW-ZDUSSCGKSA-N -1 0 342.403 2.875 20 30 EFEDRM O=C([O-])c1ccc(COc2ccccc2C=NN2CCCC2=O)cc1 ZINC001602354610 1096200884 /nfs/dbraw/zinc/20/08/84/1096200884.db2.gz IZVIOBSSFSENOT-UHFFFAOYSA-N -1 0 338.363 2.920 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2coc3c2C(=O)CCC3)c1 ZINC001602430492 1096241330 /nfs/dbraw/zinc/24/13/30/1096241330.db2.gz KIZACLBWHCEJIE-UHFFFAOYSA-N -1 0 338.315 2.705 20 30 EFEDRM O=C([O-])c1ccccc1-c1ccc(C=NNC(=S)NC2CC2)o1 ZINC001602463249 1096258524 /nfs/dbraw/zinc/25/85/24/1096258524.db2.gz VKXLBGUVHHRJQB-UHFFFAOYSA-N -1 0 329.381 2.605 20 30 EFEDRM O=C([O-])c1cncc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC001602535634 1096287252 /nfs/dbraw/zinc/28/72/52/1096287252.db2.gz CGANZJVTLZLDJW-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001602671346 1096344324 /nfs/dbraw/zinc/34/43/24/1096344324.db2.gz RLKGNBLJHAUIFK-NEPJUHHUSA-N -1 0 328.290 2.699 20 30 EFEDRM C#C[C@H](C)NC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602670646 1096344548 /nfs/dbraw/zinc/34/45/48/1096344548.db2.gz ZEFUBRDDXBIQFQ-JOYOIKCWSA-N -1 0 328.290 2.542 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001602671235 1096344612 /nfs/dbraw/zinc/34/46/12/1096344612.db2.gz PCDNQBCALBESGU-HNNXBMFYSA-N -1 0 339.347 2.927 20 30 EFEDRM C#C[C@@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001602671545 1096344644 /nfs/dbraw/zinc/34/46/44/1096344644.db2.gz WAUFDHGMCQSTAZ-ZDUSSCGKSA-N -1 0 327.336 2.861 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602669858 1096344769 /nfs/dbraw/zinc/34/47/69/1096344769.db2.gz GDZUTHXGDRHBNP-SECBINFHSA-N -1 0 326.299 2.514 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001602672725 1096345727 /nfs/dbraw/zinc/34/57/27/1096345727.db2.gz HJFGXBUIFHPDEZ-INIZCTEOSA-N -1 0 326.327 2.949 20 30 EFEDRM C#CC1(O)CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001602677189 1096345998 /nfs/dbraw/zinc/34/59/98/1096345998.db2.gz QPTZFIRMYDEWDE-UHFFFAOYSA-N -1 0 349.386 2.652 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602674067 1096346597 /nfs/dbraw/zinc/34/65/97/1096346597.db2.gz LQTOGKZDYLMPAY-CZUORRHYSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001602672505 1096346811 /nfs/dbraw/zinc/34/68/11/1096346811.db2.gz DUMQAYNARUHQGS-INIZCTEOSA-N -1 0 344.317 2.837 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602674068 1096346829 /nfs/dbraw/zinc/34/68/29/1096346829.db2.gz LQTOGKZDYLMPAY-XJKSGUPXSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001602672672 1096346854 /nfs/dbraw/zinc/34/68/54/1096346854.db2.gz GKOKBFWSRSMZST-INIZCTEOSA-N -1 0 326.327 2.698 20 30 EFEDRM C#C[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)[C@@H]1CCCO1 ZINC001602677745 1096348476 /nfs/dbraw/zinc/34/84/76/1096348476.db2.gz AVPUROQMNCBNJH-AEFFLSMTSA-N -1 0 325.364 2.915 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC001602677941 1096348838 /nfs/dbraw/zinc/34/88/38/1096348838.db2.gz FWIGPQZZVSRYSY-MELADBBJSA-N -1 0 328.195 2.890 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC001602687844 1096349444 /nfs/dbraw/zinc/34/94/44/1096349444.db2.gz XTHABWBUWSNWOA-OBIHZWKSSA-N -1 0 345.704 2.878 20 30 EFEDRM C#CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC001602681643 1096350384 /nfs/dbraw/zinc/35/03/84/1096350384.db2.gz PSLMOWIVZYBVLX-UHFFFAOYSA-N -1 0 338.310 2.863 20 30 EFEDRM C#C[C@H](NC(=O)Cc1c(C)cc(-c2nn[nH]n2)cc1C)c1ccccc1 ZINC001602689775 1096350742 /nfs/dbraw/zinc/35/07/42/1096350742.db2.gz VNCIYDSONPMGCQ-SFHVURJKSA-N -1 0 345.406 2.517 20 30 EFEDRM C#CC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001602693109 1096350873 /nfs/dbraw/zinc/35/08/73/1096350873.db2.gz GXXYYGWRNDDVQT-LLVKDONJSA-N -1 0 334.784 2.670 20 30 EFEDRM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nn[nH]n2)c1 ZINC001602688787 1096350901 /nfs/dbraw/zinc/35/09/01/1096350901.db2.gz LZWIRBVGMFQSIK-MRXNPFEDSA-N -1 0 332.363 2.576 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC001602693594 1096351745 /nfs/dbraw/zinc/35/17/45/1096351745.db2.gz YYHRJODGPMBJML-SFHVURJKSA-N -1 0 348.358 2.751 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC001602688628 1096351780 /nfs/dbraw/zinc/35/17/80/1096351780.db2.gz RPYLMZOUNWPMKA-UHFFFAOYSA-N -1 0 332.356 2.526 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc2ccc(Br)cc2c1)C(=O)[O-] ZINC001602693353 1096352242 /nfs/dbraw/zinc/35/22/42/1096352242.db2.gz QIXOXPSUHLTIPY-AWEZNQCLSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CCC[C@@H](O)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001602701693 1096352623 /nfs/dbraw/zinc/35/26/23/1096352623.db2.gz TVCNVCRRDFIISQ-CQSZACIVSA-N -1 0 337.375 2.556 20 30 EFEDRM C#CCC1(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CCCCC1 ZINC001602700334 1096353171 /nfs/dbraw/zinc/35/31/71/1096353171.db2.gz VKYFLTIQRVWKOF-UHFFFAOYSA-N -1 0 344.411 2.919 20 30 EFEDRM C#CCCOC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001602708483 1096354945 /nfs/dbraw/zinc/35/49/45/1096354945.db2.gz SBKTXIYRTBWRLE-KRWDZBQOSA-N -1 0 325.364 2.833 20 30 EFEDRM C#CCCOC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602708013 1096355465 /nfs/dbraw/zinc/35/54/65/1096355465.db2.gz CMGRWSLHPGSBFY-UHFFFAOYSA-N -1 0 330.365 2.758 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001602730347 1096356401 /nfs/dbraw/zinc/35/64/01/1096356401.db2.gz CHDGUIIWWAILEH-UHFFFAOYSA-N -1 0 327.311 2.717 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001602721014 1096356889 /nfs/dbraw/zinc/35/68/89/1096356889.db2.gz QMEIYQPOPPUANI-UHFFFAOYSA-N -1 0 343.404 2.517 20 30 EFEDRM C#CCSCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001602734471 1096358272 /nfs/dbraw/zinc/35/82/72/1096358272.db2.gz NHHQPDURLUFLIG-UHFFFAOYSA-N -1 0 346.433 2.737 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001602734504 1096358526 /nfs/dbraw/zinc/35/85/26/1096358526.db2.gz NVVUSEWTADANEC-QAPCUYQASA-N -1 0 328.368 2.560 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC001602742126 1096359398 /nfs/dbraw/zinc/35/93/98/1096359398.db2.gz FIMPJARQRKYQCS-UHFFFAOYSA-N -1 0 329.381 2.810 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001602744775 1096361147 /nfs/dbraw/zinc/36/11/47/1096361147.db2.gz MYRQFPFFPZDOSB-CQSZACIVSA-N -1 0 348.280 2.795 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001602749741 1096362851 /nfs/dbraw/zinc/36/28/51/1096362851.db2.gz XOTYFLGUYOJUPB-OAHLLOKOSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(-c2ccc(C)nn2)cc1)C(=O)[O-] ZINC001602754451 1096363131 /nfs/dbraw/zinc/36/31/31/1096363131.db2.gz JYIHCZXSERPCEZ-INIZCTEOSA-N -1 0 325.368 2.601 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)C(=O)[O-] ZINC001602750825 1096363398 /nfs/dbraw/zinc/36/33/98/1096363398.db2.gz YTCAAAQWNWCWDQ-BUUCAEBMSA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001602754891 1096364524 /nfs/dbraw/zinc/36/45/24/1096364524.db2.gz YOBOSOMFFRQMEA-LLVKDONJSA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602758015 1096365237 /nfs/dbraw/zinc/36/52/37/1096365237.db2.gz ZXBAQGDLMCRIFI-JTQLQIEISA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602766156 1096365814 /nfs/dbraw/zinc/36/58/14/1096365814.db2.gz WKBKMUNMTCWFGU-QGZVFWFLSA-N -1 0 330.388 2.724 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602765673 1096365845 /nfs/dbraw/zinc/36/58/45/1096365845.db2.gz GQNIIFQYLMGBSW-CHWSQXEVSA-N -1 0 336.436 2.641 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(C(=O)[O-])c(C)n1C ZINC001602762129 1096365903 /nfs/dbraw/zinc/36/59/03/1096365903.db2.gz SWOLKVPCEFHRRB-UHFFFAOYSA-N -1 0 332.400 2.695 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001602765746 1096366066 /nfs/dbraw/zinc/36/60/66/1096366066.db2.gz ILKOGZYRDFYVBJ-GOSISDBHSA-N -1 0 344.390 2.833 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602766357 1096366554 /nfs/dbraw/zinc/36/65/54/1096366554.db2.gz ZGGFMXBLSPWXJE-MRXNPFEDSA-N -1 0 340.427 2.995 20 30 EFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602765547 1096366562 /nfs/dbraw/zinc/36/65/62/1096366562.db2.gz CHEROZCHGNTPAX-HNNXBMFYSA-N -1 0 326.400 2.741 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 ZINC001602769968 1096367264 /nfs/dbraw/zinc/36/72/64/1096367264.db2.gz PPKTUJCXXYTQQF-HOCLYGCPSA-N -1 0 339.399 2.664 20 30 EFEDRM C=C(C)c1cccc(NC(=O)NCc2nc(-c3nn[nH]n3)cs2)c1 ZINC001602770183 1096367298 /nfs/dbraw/zinc/36/72/98/1096367298.db2.gz UEVADPHATGNIBI-UHFFFAOYSA-N -1 0 341.400 2.678 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CCCO1 ZINC001602771552 1096367464 /nfs/dbraw/zinc/36/74/64/1096367464.db2.gz YRCWVSVRKIDZIE-QZTJIDSGSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C(C)c1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC001602770439 1096367612 /nfs/dbraw/zinc/36/76/12/1096367612.db2.gz ZPHXTEWDTGDZGS-MRXNPFEDSA-N -1 0 335.367 2.572 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(Br)cc1 ZINC001602774429 1096367723 /nfs/dbraw/zinc/36/77/23/1096367723.db2.gz KQEHRVVPMHMHOR-UHFFFAOYSA-N -1 0 326.190 2.829 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602771595 1096367784 /nfs/dbraw/zinc/36/77/84/1096367784.db2.gz ZTLVNHQXMMZFSD-LSDHHAIUSA-N -1 0 348.447 2.787 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC001602776175 1096368967 /nfs/dbraw/zinc/36/89/67/1096368967.db2.gz MWLNTPXNONMRTE-UHFFFAOYSA-N -1 0 331.412 2.658 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(OCc2ccccc2OC)CC1 ZINC001602775233 1096368993 /nfs/dbraw/zinc/36/89/93/1096368993.db2.gz AQMOSKYVIVAPHB-UHFFFAOYSA-N -1 0 347.411 2.624 20 30 EFEDRM C=C[C@H](C(=O)N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001602780976 1096369443 /nfs/dbraw/zinc/36/94/43/1096369443.db2.gz VBNLBEFRHVIPSB-WMZOPIPTSA-N -1 0 345.406 2.940 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC001602778904 1096369761 /nfs/dbraw/zinc/36/97/61/1096369761.db2.gz XBBRBCLIOJXMDV-LLVKDONJSA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C(=O)OCC)ccc1NCC ZINC001602785635 1096370366 /nfs/dbraw/zinc/37/03/66/1096370366.db2.gz CBNNUHWVNXSQFA-UHFFFAOYSA-N -1 0 334.372 2.655 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001602784682 1096370610 /nfs/dbraw/zinc/37/06/10/1096370610.db2.gz ZZWQYQORFNZEFK-UHFFFAOYSA-N -1 0 346.261 2.651 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC001602785922 1096370772 /nfs/dbraw/zinc/37/07/72/1096370772.db2.gz QDXIJKNPWNLDQU-UHFFFAOYSA-N -1 0 344.411 2.601 20 30 EFEDRM C=C1CCC(CNC(=O)NCCc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001602792211 1096372295 /nfs/dbraw/zinc/37/22/95/1096372295.db2.gz RMDPSNYMDAOODT-UHFFFAOYSA-N -1 0 346.427 2.982 20 30 EFEDRM C=C[C@@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1 ZINC001602804174 1096373426 /nfs/dbraw/zinc/37/34/26/1096373426.db2.gz MPPCKVGONXZNQF-SJLPKXTDSA-N -1 0 339.391 2.722 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001602810216 1096375994 /nfs/dbraw/zinc/37/59/94/1096375994.db2.gz VDNRXYYIZOQMBA-MDZRGWNJSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C[C@@H](N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC)C(=O)[O-] ZINC001602816183 1096376262 /nfs/dbraw/zinc/37/62/62/1096376262.db2.gz KAVDAHQWCPXOHF-OLZOCXBDSA-N -1 0 346.210 2.696 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001602829039 1096379555 /nfs/dbraw/zinc/37/95/55/1096379555.db2.gz VHFALBQFADBXKF-CQSZACIVSA-N -1 0 337.441 2.778 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602837233 1096381749 /nfs/dbraw/zinc/38/17/49/1096381749.db2.gz IXISYVUKYYWUSU-LGESCRJUSA-N -1 0 326.462 2.769 20 30 EFEDRM C=CCC(F)(F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC001602841959 1096382401 /nfs/dbraw/zinc/38/24/01/1096382401.db2.gz BETQKCLPKXCTPQ-LBPRGKRZSA-N -1 0 343.326 2.547 20 30 EFEDRM C=CC[C@@H](OC(=O)CSc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC001602845653 1096382509 /nfs/dbraw/zinc/38/25/09/1096382509.db2.gz SJAKRCXLDIQEAE-SECBINFHSA-N -1 0 335.303 2.765 20 30 EFEDRM C=CC[C@H](OC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)[O-] ZINC001602845129 1096382588 /nfs/dbraw/zinc/38/25/88/1096382588.db2.gz KMZRVIFWBRUBNN-AWEZNQCLSA-N -1 0 340.322 2.586 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)C(=O)[O-] ZINC001602845138 1096383263 /nfs/dbraw/zinc/38/32/63/1096383263.db2.gz KSAHVRFWIDDONT-DGCLKSJQSA-N -1 0 329.755 2.654 20 30 EFEDRM C=CCC(F)(F)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602842008 1096383280 /nfs/dbraw/zinc/38/32/80/1096383280.db2.gz CLQJHHFDAKMODN-VIFPVBQESA-N -1 0 330.356 2.759 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001602849246 1096384008 /nfs/dbraw/zinc/38/40/08/1096384008.db2.gz MMVDLFIRWKFNOO-GFCCVEGCSA-N -1 0 325.292 2.580 20 30 EFEDRM C=CCC1(O)CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC001602851448 1096384026 /nfs/dbraw/zinc/38/40/26/1096384026.db2.gz LXJBGMFRMLRUEA-UHFFFAOYSA-N -1 0 347.440 2.914 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2cc(C)sc2C(=O)[O-])CCCC1 ZINC001602851192 1096384390 /nfs/dbraw/zinc/38/43/90/1096384390.db2.gz DAWDZIWEDGOKKM-UHFFFAOYSA-N -1 0 336.413 2.698 20 30 EFEDRM C=CC[C@@H](Sc1n[nH]c(-c2ccc(OC)cc2OC)n1)C(=O)[O-] ZINC001602849218 1096384593 /nfs/dbraw/zinc/38/45/93/1096384593.db2.gz MEKQWYRZBXJHMF-GFCCVEGCSA-N -1 0 335.385 2.610 20 30 EFEDRM C=CC[C@H](OC(=O)c1nc(CC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602849200 1096384640 /nfs/dbraw/zinc/38/46/40/1096384640.db2.gz MAPULVFCQPFKHG-LBPRGKRZSA-N -1 0 349.774 2.669 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602855656 1096385329 /nfs/dbraw/zinc/38/53/29/1096385329.db2.gz WNOHSZFVMYQGDF-SMDDNHRTSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001602856121 1096385973 /nfs/dbraw/zinc/38/59/73/1096385973.db2.gz VSDZWRVVPRIYNH-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=CCC[C@@H](C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001602855982 1096386022 /nfs/dbraw/zinc/38/60/22/1096386022.db2.gz LSIZTAAQBICJIN-DZGCQCFKSA-N -1 0 343.383 2.717 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001602855653 1096386613 /nfs/dbraw/zinc/38/66/13/1096386613.db2.gz WNOHSZFVMYQGDF-BXUZGUMPSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCC[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)C(=O)OCC ZINC001602857716 1096387177 /nfs/dbraw/zinc/38/71/77/1096387177.db2.gz VYBBFLHEGRIHAQ-OAHLLOKOSA-N -1 0 334.416 2.510 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001602860617 1096387388 /nfs/dbraw/zinc/38/73/88/1096387388.db2.gz JOWFZXCBUPKOTP-LLVKDONJSA-N -1 0 327.402 2.660 20 30 EFEDRM C=CCCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860579 1096388307 /nfs/dbraw/zinc/38/83/07/1096388307.db2.gz IFSRJRACBNUUHN-QZTJIDSGSA-N -1 0 344.455 2.601 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001602860950 1096388676 /nfs/dbraw/zinc/38/86/76/1096388676.db2.gz VDYLSONXLMGFIJ-SECBINFHSA-N -1 0 333.793 2.751 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)c(=O)[nH]c2ccccc21)C(=O)[O-] ZINC001602866112 1096388730 /nfs/dbraw/zinc/38/87/30/1096388730.db2.gz XIOHKXDSISYFJB-AWEZNQCLSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)nc(C2CC2)nc1SC)C(=O)[O-] ZINC001602865861 1096388778 /nfs/dbraw/zinc/38/87/78/1096388778.db2.gz SHDPXUQZCBLYOE-LBPRGKRZSA-N -1 0 349.456 2.924 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)C(C)C)cc1)C(=O)[O-] ZINC001602869592 1096389406 /nfs/dbraw/zinc/38/94/06/1096389406.db2.gz CRLXKCKDNQTQNV-HNNXBMFYSA-N -1 0 332.400 2.820 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001602860881 1096389838 /nfs/dbraw/zinc/38/98/38/1096389838.db2.gz TYQSLUKIYBPORX-GFCCVEGCSA-N -1 0 332.400 2.801 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)C(=O)[O-] ZINC001602871140 1096390393 /nfs/dbraw/zinc/39/03/93/1096390393.db2.gz KCRLHEROKQRLAJ-AWEZNQCLSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602872925 1096390515 /nfs/dbraw/zinc/39/05/15/1096390515.db2.gz XOQUMBVDQPDRBF-NSHDSACASA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001602870123 1096390596 /nfs/dbraw/zinc/39/05/96/1096390596.db2.gz FHJKSMLGQJMKKP-LBPRGKRZSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCCOCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001602881146 1096391370 /nfs/dbraw/zinc/39/13/70/1096391370.db2.gz UHOKJQNJVDAOSF-OAHLLOKOSA-N -1 0 334.416 2.730 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)nn1 ZINC001602884475 1096391439 /nfs/dbraw/zinc/39/14/39/1096391439.db2.gz DPJTULWKKZGNBX-UHFFFAOYSA-N -1 0 349.416 2.559 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001602881499 1096391778 /nfs/dbraw/zinc/39/17/78/1096391778.db2.gz YHWNCOKBAUZILS-QMMMGPOBSA-N -1 0 332.278 2.718 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])nn1 ZINC001602884958 1096391938 /nfs/dbraw/zinc/39/19/38/1096391938.db2.gz ZDEBZFBIERIXTF-UHFFFAOYSA-N -1 0 328.372 2.928 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001602880697 1096391987 /nfs/dbraw/zinc/39/19/87/1096391987.db2.gz YCGPSSZMMFPAOR-UHFFFAOYSA-N -1 0 326.352 2.930 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@](C)(CC)CC(=O)[O-])cc1 ZINC001602881062 1096392304 /nfs/dbraw/zinc/39/23/04/1096392304.db2.gz PTSXOKNQLHRKTO-MRXNPFEDSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)CCc1ocnc1C(=O)[O-] ZINC001602894603 1096393139 /nfs/dbraw/zinc/39/31/39/1096393139.db2.gz NFCBXNKWWFZHBD-UHFFFAOYSA-N -1 0 332.331 2.659 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001602890756 1096393835 /nfs/dbraw/zinc/39/38/35/1096393835.db2.gz HJKABZJQXNKQGY-UHFFFAOYSA-N -1 0 339.395 2.971 20 30 EFEDRM C=CCN(CCC#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001602891103 1096394173 /nfs/dbraw/zinc/39/41/73/1096394173.db2.gz XIRXRKNFUVVOBZ-UHFFFAOYSA-N -1 0 344.392 2.628 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1 ZINC001602902308 1096395451 /nfs/dbraw/zinc/39/54/51/1096395451.db2.gz ZVCWIIFTQXRFMD-UHFFFAOYSA-N -1 0 328.372 2.643 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001602902085 1096396167 /nfs/dbraw/zinc/39/61/67/1096396167.db2.gz NYQVEVSSGADQEC-UHFFFAOYSA-N -1 0 343.339 2.846 20 30 EFEDRM C=CCOCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001602906369 1096396716 /nfs/dbraw/zinc/39/67/16/1096396716.db2.gz FPCKHNFRIBEWTD-CYBMUJFWSA-N -1 0 332.183 2.780 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001602909849 1096398372 /nfs/dbraw/zinc/39/83/72/1096398372.db2.gz KASKBSWUZXUNOO-WMLDXEAASA-N -1 0 333.428 2.761 20 30 EFEDRM C=CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001602926252 1096400948 /nfs/dbraw/zinc/40/09/48/1096400948.db2.gz XWPFDMPSYNACGY-CYBMUJFWSA-N -1 0 338.477 2.622 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001602922206 1096400998 /nfs/dbraw/zinc/40/09/98/1096400998.db2.gz UGGWHDZEPBIJFR-APWZRJJASA-N -1 0 329.396 2.650 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001602921943 1096401117 /nfs/dbraw/zinc/40/11/17/1096401117.db2.gz XMUIHBLLPLBDEZ-GJZGRUSLSA-N -1 0 340.397 2.603 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001602922149 1096401151 /nfs/dbraw/zinc/40/11/51/1096401151.db2.gz QETSPMHFVGPNGX-INIZCTEOSA-N -1 0 331.393 2.798 20 30 EFEDRM C=CCOc1ccc(C(=O)O[C@H]2C=CC[C@@H](C(=O)[O-])C2)cc1OC ZINC001602921989 1096401221 /nfs/dbraw/zinc/40/12/21/1096401221.db2.gz GZNHYOBECJFELJ-OCCSQVGLSA-N -1 0 332.352 2.836 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@H](C)COC ZINC001602925811 1096401362 /nfs/dbraw/zinc/40/13/62/1096401362.db2.gz AIBUTLBIIIAQTO-NEPJUHHUSA-N -1 0 336.384 2.946 20 30 EFEDRM C=CCOc1ccc(C(=O)O[C@H](C)c2nc(C(=O)[O-])co2)cc1OC ZINC001602922031 1096401404 /nfs/dbraw/zinc/40/14/04/1096401404.db2.gz IWWQKOHUAXZTGL-SNVBAGLBSA-N -1 0 347.323 2.864 20 30 EFEDRM C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602931031 1096402105 /nfs/dbraw/zinc/40/21/05/1096402105.db2.gz JPDPRXHNTOTQNJ-GOSISDBHSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c([C@H](C)c2ccsc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602931507 1096402499 /nfs/dbraw/zinc/40/24/99/1096402499.db2.gz WKQZENFZBPGCHF-YRGRVCCFSA-N -1 0 346.456 2.834 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602931429 1096402748 /nfs/dbraw/zinc/40/27/48/1096402748.db2.gz UJENZGHBXJNDRA-JKSUJKDBSA-N -1 0 340.427 2.892 20 30 EFEDRM C=CCn1cnnc1SCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001602940657 1096403593 /nfs/dbraw/zinc/40/35/93/1096403593.db2.gz OZWFXPAALLUACT-VMPITWQZSA-N -1 0 331.397 2.733 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602937648 1096403637 /nfs/dbraw/zinc/40/36/37/1096403637.db2.gz FAVLTJIJXIVMMO-OWCLPIDISA-N -1 0 338.411 2.646 20 30 EFEDRM C=CCn1c(CCC(C)(C)C)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001602935563 1096403666 /nfs/dbraw/zinc/40/36/66/1096403666.db2.gz PLIBDMOCLGYRIB-ZIAGYGMSSA-N -1 0 334.464 2.990 20 30 EFEDRM C=CCn1c(S[C@@H](C(=O)[O-])[C@@H](C)CC)nnc1-c1cnccn1 ZINC001602936756 1096403807 /nfs/dbraw/zinc/40/38/07/1096403807.db2.gz DXAXYCJRBSPGTH-CMPLNLGQSA-N -1 0 333.417 2.513 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc21 ZINC001602939789 1096404195 /nfs/dbraw/zinc/40/41/95/1096404195.db2.gz CMQNISZSFNLHGK-GOSISDBHSA-N -1 0 342.399 2.941 20 30 EFEDRM C=CCn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001602936751 1096404260 /nfs/dbraw/zinc/40/42/60/1096404260.db2.gz DVPHCVGYSVHXSB-DOPJRALCSA-N -1 0 346.431 2.550 20 30 EFEDRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001602984437 1096416930 /nfs/dbraw/zinc/41/69/30/1096416930.db2.gz LYHKSHSJNXFMIE-XFXZXTDPSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001603125432 1096452635 /nfs/dbraw/zinc/45/26/35/1096452635.db2.gz AKSCSEIUHRUQBW-GPMSIDNRSA-N -1 0 328.412 2.909 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001603132217 1096454704 /nfs/dbraw/zinc/45/47/04/1096454704.db2.gz UIEAUKBPCZQFGX-YPMHNXCESA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001603129907 1096454901 /nfs/dbraw/zinc/45/49/01/1096454901.db2.gz OUBBTQVIDSOSNR-MRVPVSSYSA-N -1 0 340.177 2.771 20 30 EFEDRM C[C@H](C#N)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001603130202 1096454930 /nfs/dbraw/zinc/45/49/30/1096454930.db2.gz SZXGAEHDCCINRT-MRVPVSSYSA-N -1 0 344.198 2.722 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001603129623 1096455293 /nfs/dbraw/zinc/45/52/93/1096455293.db2.gz KWSCQNUOZDBYBZ-ZDUSSCGKSA-N -1 0 344.415 2.998 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001603188530 1096468492 /nfs/dbraw/zinc/46/84/92/1096468492.db2.gz ZQSYYPXEOREKFS-BDJLRTHQSA-N -1 0 326.327 2.889 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001603229558 1096479031 /nfs/dbraw/zinc/47/90/31/1096479031.db2.gz AQCWPOAKXNXJRV-GFCCVEGCSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C)C#CC(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001603295905 1096498125 /nfs/dbraw/zinc/49/81/25/1096498125.db2.gz VWMPNJFXTVGHMX-UHFFFAOYSA-N -1 0 327.336 2.642 20 30 EFEDRM CC(C)(C)C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(F)(F)F ZINC001603328191 1096507537 /nfs/dbraw/zinc/50/75/37/1096507537.db2.gz XKQHHTJLFKGAFT-JTQLQIEISA-N -1 0 349.353 2.753 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC001603466097 1096535426 /nfs/dbraw/zinc/53/54/26/1096535426.db2.gz IFORAVVVLFIQSM-UHFFFAOYSA-N -1 0 344.419 2.757 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCOCc2ccccc2)o1 ZINC001603495177 1096538352 /nfs/dbraw/zinc/53/83/52/1096538352.db2.gz IFGXGWWTHSFBKN-UHFFFAOYSA-N -1 0 341.375 2.558 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001603497971 1096538598 /nfs/dbraw/zinc/53/85/98/1096538598.db2.gz VMUULYRYRSGPAJ-MNOVXSKESA-N -1 0 331.372 2.574 20 30 EFEDRM CC(C)(C)c1csc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1C#N ZINC001603551206 1096549940 /nfs/dbraw/zinc/54/99/40/1096549940.db2.gz XQZFBUSNRBCTMC-HNNXBMFYSA-N -1 0 339.392 2.948 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC001603578230 1096557863 /nfs/dbraw/zinc/55/78/63/1096557863.db2.gz NWSMIMJFMCCPGB-UHFFFAOYSA-N -1 0 329.400 2.550 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001603591292 1096563988 /nfs/dbraw/zinc/56/39/88/1096563988.db2.gz DWYFHTRHSAZJKP-UHFFFAOYSA-N -1 0 347.390 2.922 20 30 EFEDRM CC(C)(NC(=O)c1ccc(Cl)c(C#N)c1)c1nocc1C(=O)[O-] ZINC001603676755 1096588158 /nfs/dbraw/zinc/58/81/58/1096588158.db2.gz FHRSIQGENNRWSV-UHFFFAOYSA-N -1 0 333.731 2.563 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1C#N ZINC001603949774 1096678161 /nfs/dbraw/zinc/67/81/61/1096678161.db2.gz LGQKFKQATRVTIW-UHFFFAOYSA-N -1 0 331.353 2.752 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604059446 1096714734 /nfs/dbraw/zinc/71/47/34/1096714734.db2.gz FNMXPELYJNEFLJ-JOYOIKCWSA-N -1 0 343.305 2.932 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604059444 1096715076 /nfs/dbraw/zinc/71/50/76/1096715076.db2.gz FNMXPELYJNEFLJ-BXKDBHETSA-N -1 0 343.305 2.932 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@@]1(C#N)CC2CCC1CC2)c1ccccn1 ZINC001604077201 1096722344 /nfs/dbraw/zinc/72/23/44/1096722344.db2.gz BITVCICHXNAELS-IXZBZBRVSA-N -1 0 341.411 2.608 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1cccnc1 ZINC001604078694 1096723445 /nfs/dbraw/zinc/72/34/45/1096723445.db2.gz UDWMTTOUFOUAIF-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C(C)(C)C ZINC001604158702 1096757350 /nfs/dbraw/zinc/75/73/50/1096757350.db2.gz MSCVYPDNJHFLGR-NSHDSACASA-N -1 0 338.429 2.559 20 30 EFEDRM C[C@H](CN(Cc1ccccc1)C(=O)c1sccc1C#N)C(=O)[O-] ZINC001604160533 1096757471 /nfs/dbraw/zinc/75/74/71/1096757471.db2.gz DBTZHIDDYZDFNM-GFCCVEGCSA-N -1 0 328.393 2.983 20 30 EFEDRM C[C@@](CNC(=O)c1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001604183982 1096766124 /nfs/dbraw/zinc/76/61/24/1096766124.db2.gz BCGLBJKGJFQBCK-SFHVURJKSA-N -1 0 342.782 2.984 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001604200671 1096770390 /nfs/dbraw/zinc/77/03/90/1096770390.db2.gz AWXBPZMDBWHJQQ-ZDUSSCGKSA-N -1 0 339.347 2.810 20 30 EFEDRM CCCc1ccc(C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001604245980 1096785273 /nfs/dbraw/zinc/78/52/73/1096785273.db2.gz ZOHHDCPWNOELSE-UHFFFAOYSA-N -1 0 325.376 2.952 20 30 EFEDRM C[C@@](NC(=O)c1cn(CCCC#N)c2ccccc12)(C(=O)[O-])C1CC1 ZINC001604316341 1096805867 /nfs/dbraw/zinc/80/58/67/1096805867.db2.gz MUKRIHZYERXCBO-IBGZPJMESA-N -1 0 339.395 2.928 20 30 EFEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1nc(C(C)(C)C)no1 ZINC001604346487 1096821328 /nfs/dbraw/zinc/82/13/28/1096821328.db2.gz ICSNZRHGZFSXJS-JTQLQIEISA-N -1 0 328.372 2.788 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604427627 1096850551 /nfs/dbraw/zinc/85/05/51/1096850551.db2.gz PNXZLJHPWDPKII-DYVFJYSZSA-N -1 0 339.347 2.565 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1F)C(=O)[O-] ZINC001604436032 1096853424 /nfs/dbraw/zinc/85/34/24/1096853424.db2.gz GBEZAXSCBBVJCQ-SNVBAGLBSA-N -1 0 337.351 2.691 20 30 EFEDRM C[C@@H](Oc1ccccc1CNc1n[nH]c(C2CC2)c1C#N)C(=O)[O-] ZINC001604447623 1096859776 /nfs/dbraw/zinc/85/97/76/1096859776.db2.gz JGOJGLUUXVYEDD-SNVBAGLBSA-N -1 0 326.356 2.623 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-] ZINC001604453734 1096862233 /nfs/dbraw/zinc/86/22/33/1096862233.db2.gz DOELWYMOCLKGFH-KWQFWETISA-N -1 0 346.330 2.826 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001604467277 1096869833 /nfs/dbraw/zinc/86/98/33/1096869833.db2.gz IGXFJKTWBYVBOB-ULSVASMSSA-N -1 0 341.411 2.760 20 30 EFEDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001604477521 1096873817 /nfs/dbraw/zinc/87/38/17/1096873817.db2.gz OEUNIYRVJMCGHG-GFCCVEGCSA-N -1 0 341.367 2.849 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC001604482080 1096876839 /nfs/dbraw/zinc/87/68/39/1096876839.db2.gz FUMZTBHOTPDZCD-KSSFIOAISA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001604482604 1096877141 /nfs/dbraw/zinc/87/71/41/1096877141.db2.gz JOCKMEFEZRZQTB-MRXNPFEDSA-N -1 0 349.412 2.677 20 30 EFEDRM C[C@]1(C#N)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001604484259 1096877866 /nfs/dbraw/zinc/87/78/66/1096877866.db2.gz CZICDOWKVDQBCV-OCCSQVGLSA-N -1 0 329.183 2.734 20 30 EFEDRM CC[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccc(C)c(F)c1 ZINC001604484900 1096878594 /nfs/dbraw/zinc/87/85/94/1096878594.db2.gz ANZHTCZVZKJZQM-GFCCVEGCSA-N -1 0 338.350 2.539 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(c2nccc(Oc3cccc(C#N)c3)n2)C1 ZINC001604496682 1096880613 /nfs/dbraw/zinc/88/06/13/1096880613.db2.gz QNJIONXDXDQHNX-GOSISDBHSA-N -1 0 338.367 2.832 20 30 EFEDRM CC1(C)C[C@]1(C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001604518245 1096889287 /nfs/dbraw/zinc/88/92/87/1096889287.db2.gz CKNZLTLQGOISKF-LJQANCHMSA-N -1 0 344.386 2.710 20 30 EFEDRM CC1(C)CCC[C@](NC(=O)c2ccc(C#N)c(Cl)n2)(C(=O)[O-])C1 ZINC001604529525 1096895222 /nfs/dbraw/zinc/89/52/22/1096895222.db2.gz ARZPKVPZDKZGLL-MRXNPFEDSA-N -1 0 335.791 2.760 20 30 EFEDRM CC1(C)CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)[C@@H]1C#N ZINC001604536396 1096897606 /nfs/dbraw/zinc/89/76/06/1096897606.db2.gz ZNLRUDHYEWCANS-CQSZACIVSA-N -1 0 340.383 2.548 20 30 EFEDRM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCC[C@@H]1C(=O)[O-] ZINC001604590633 1096910786 /nfs/dbraw/zinc/91/07/86/1096910786.db2.gz DUQCLLGUDDUQHP-WFXMFSGNSA-N -1 0 326.396 2.811 20 30 EFEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001604636996 1096918996 /nfs/dbraw/zinc/91/89/96/1096918996.db2.gz LEXWEVFXZIWZPC-STQMWFEESA-N -1 0 338.411 2.783 20 30 EFEDRM C[C@H]1CC[C@](NC(=O)c2ccc(C#N)cn2)(C(=O)[O-])c2ccccc21 ZINC001604703291 1096935403 /nfs/dbraw/zinc/93/54/03/1096935403.db2.gz HXXXWCPEOBIIGZ-HXPMCKFVSA-N -1 0 335.363 2.560 20 30 EFEDRM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604717229 1096939752 /nfs/dbraw/zinc/93/97/52/1096939752.db2.gz RBNVCBDTQGKFNC-YPMHNXCESA-N -1 0 336.413 2.504 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(Cl)ccc1Cl ZINC001225207873 1096940439 /nfs/dbraw/zinc/94/04/39/1096940439.db2.gz RTARSUMHVOMFMO-SNVBAGLBSA-N -1 0 341.212 2.831 20 30 EFEDRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC001604787216 1096954689 /nfs/dbraw/zinc/95/46/89/1096954689.db2.gz XVEIPLHHJPXDSC-SWHYSGLUSA-N -1 0 342.317 2.726 20 30 EFEDRM C[C@@H]1Cc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2O1 ZINC001604825636 1096966460 /nfs/dbraw/zinc/96/64/60/1096966460.db2.gz KYQYITNZNPXQFZ-PIGZYNQJSA-N -1 0 337.331 2.864 20 30 EFEDRM C[C@H]1Cc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2O1 ZINC001604825632 1096966736 /nfs/dbraw/zinc/96/67/36/1096966736.db2.gz KYQYITNZNPXQFZ-GTNSWQLSSA-N -1 0 337.331 2.864 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC001604991563 1096995188 /nfs/dbraw/zinc/99/51/88/1096995188.db2.gz HUKYNVBRIJDMRE-UHFFFAOYSA-N -1 0 344.820 2.523 20 30 EFEDRM CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCCC1 ZINC001605103367 1097022475 /nfs/dbraw/zinc/02/24/75/1097022475.db2.gz CZUJOWOQGSAMDN-AWEZNQCLSA-N -1 0 336.413 2.504 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCCC1 ZINC001605103368 1097023227 /nfs/dbraw/zinc/02/32/27/1097023227.db2.gz CZUJOWOQGSAMDN-CQSZACIVSA-N -1 0 336.413 2.504 20 30 EFEDRM CO[C@H]1C[C@H]2CC(N=Nc3oc(C(C)C)nc3-c3nnn[n-]3)C[C@H]2C1 ZINC001605150788 1097036112 /nfs/dbraw/zinc/03/61/12/1097036112.db2.gz AYMJGLBWQAEKJX-IAZYJMLFSA-N -1 0 345.407 2.581 20 30 EFEDRM CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605164608 1097039223 /nfs/dbraw/zinc/03/92/23/1097039223.db2.gz GDGAHSDNPAKYOE-GXTWGEPZSA-N -1 0 336.413 2.504 20 30 EFEDRM CCCC[C@@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001605247303 1097067937 /nfs/dbraw/zinc/06/79/37/1097067937.db2.gz GZMNUPRKYSVRMP-XJKSGUPXSA-N -1 0 348.374 2.710 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001605249654 1097067951 /nfs/dbraw/zinc/06/79/51/1097067951.db2.gz HDPNDZKNDXSNGU-HUUCEWRRSA-N -1 0 336.388 2.605 20 30 EFEDRM CCCC[C@H](SCCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001605251417 1097069133 /nfs/dbraw/zinc/06/91/33/1097069133.db2.gz RRHLHUCJKNMVFD-AWEZNQCLSA-N -1 0 341.454 2.709 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605266725 1097074301 /nfs/dbraw/zinc/07/43/01/1097074301.db2.gz LMNMWVAMNLZFRK-KFWWJZLASA-N -1 0 328.453 2.867 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001605267167 1097074803 /nfs/dbraw/zinc/07/48/03/1097074803.db2.gz RJUVHPCSYPERMR-ZIAGYGMSSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCCCCCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001605267243 1097074921 /nfs/dbraw/zinc/07/49/21/1097074921.db2.gz UOEYBKQOOSAZNB-AWEZNQCLSA-N -1 0 336.436 2.890 20 30 EFEDRM CCCCCCCC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001605266442 1097075145 /nfs/dbraw/zinc/07/51/45/1097075145.db2.gz HMLGSIHFZNZEEU-UHFFFAOYSA-N -1 0 325.449 2.955 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001605266386 1097075152 /nfs/dbraw/zinc/07/51/52/1097075152.db2.gz GYBRXTPFRYHRAG-KGLIPLIRSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605317877 1097095014 /nfs/dbraw/zinc/09/50/14/1097095014.db2.gz YIJDUCWATAZFIK-CVEARBPZSA-N -1 0 329.400 2.733 20 30 EFEDRM CCN(CCO)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001605450313 1097128686 /nfs/dbraw/zinc/12/86/86/1097128686.db2.gz ZOTJXRKBADUCRF-UHFFFAOYSA-N -1 0 342.395 2.612 20 30 EFEDRM CCOC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1C#N ZINC001605556498 1097157763 /nfs/dbraw/zinc/15/77/63/1097157763.db2.gz UREMGTUDWGQFJS-UHFFFAOYSA-N -1 0 342.355 2.775 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001605631011 1097173460 /nfs/dbraw/zinc/17/34/60/1097173460.db2.gz MGQYHOXXUCCRML-HNNXBMFYSA-N -1 0 346.427 2.765 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)/C=C\c1ccccc1C#N ZINC001605631661 1097174212 /nfs/dbraw/zinc/17/42/12/1097174212.db2.gz YVADZGDVMKOHIX-KVPUOBJLSA-N -1 0 344.411 2.547 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001605677597 1097191856 /nfs/dbraw/zinc/19/18/56/1097191856.db2.gz HCZJIFURISLXDP-CYBMUJFWSA-N -1 0 331.372 2.579 20 30 EFEDRM CCSc1cc(Cl)ccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001605743504 1097212745 /nfs/dbraw/zinc/21/27/45/1097212745.db2.gz WONVLEISTBXGBJ-UHFFFAOYSA-N -1 0 326.805 2.892 20 30 EFEDRM CCc1[nH]c(C(=O)OCCOc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001605771166 1097221299 /nfs/dbraw/zinc/22/12/99/1097221299.db2.gz QMDIYSWNQHOGIN-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001605804801 1097232554 /nfs/dbraw/zinc/23/25/54/1097232554.db2.gz XSNGCTHHWUOOHM-SFHVURJKSA-N -1 0 343.329 2.821 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)c(Cl)c1 ZINC001605823548 1097238966 /nfs/dbraw/zinc/23/89/66/1097238966.db2.gz MKSLLGMBAPLFSO-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001605837234 1097246061 /nfs/dbraw/zinc/24/60/61/1097246061.db2.gz YAWXRPSRGNSMCT-JKSUJKDBSA-N -1 0 326.396 2.569 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC001605879349 1097263510 /nfs/dbraw/zinc/26/35/10/1097263510.db2.gz CTWJGRVNZKLZDD-LJQANCHMSA-N -1 0 339.395 2.993 20 30 EFEDRM CN(C(=O)CC(C)(C)C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001605957195 1097286438 /nfs/dbraw/zinc/28/64/38/1097286438.db2.gz KDDKTWMVQODKPF-ZDUSSCGKSA-N -1 0 328.290 2.628 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001606044055 1097306038 /nfs/dbraw/zinc/30/60/38/1097306038.db2.gz XZIAUZXSFQHSOE-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001606044041 1097306252 /nfs/dbraw/zinc/30/62/52/1097306252.db2.gz XMPGZHPLPMIIHC-UHFFFAOYSA-N -1 0 345.305 2.853 20 30 EFEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001606096356 1097318475 /nfs/dbraw/zinc/31/84/75/1097318475.db2.gz WWEDDLQFZPCTOH-ZDUSSCGKSA-N -1 0 345.380 2.515 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC001606154215 1097330031 /nfs/dbraw/zinc/33/00/31/1097330031.db2.gz SWFYSONFXJUYCR-OAHLLOKOSA-N -1 0 337.379 2.826 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Nc1ccc(C#N)cc1 ZINC001606161593 1097332519 /nfs/dbraw/zinc/33/25/19/1097332519.db2.gz VYCXSCKCEMSHKB-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C(=O)[O-])nc1C#N ZINC001606175291 1097338213 /nfs/dbraw/zinc/33/82/13/1097338213.db2.gz AXGVKJOLVUQLMX-UHFFFAOYSA-N -1 0 333.351 2.678 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccccc1-c1nn[nH]n1 ZINC001606483512 1097405953 /nfs/dbraw/zinc/40/59/53/1097405953.db2.gz YCNGJNXJUNDQLO-WAYWQWQTSA-N -1 0 328.278 2.747 20 30 EFEDRM COC(=O)c1cc(CN(C)Cc2cc(C#N)cs2)cc(C(=O)[O-])c1 ZINC001606540049 1097416194 /nfs/dbraw/zinc/41/61/94/1097416194.db2.gz LQTQGFZUGKFKBN-UHFFFAOYSA-N -1 0 344.392 2.737 20 30 EFEDRM COC(=O)c1cc(COc2ccc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC001606543751 1097417032 /nfs/dbraw/zinc/41/70/32/1097417032.db2.gz QBRVJVYBMYAQGX-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COC(=O)c1cccnc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606621479 1097430746 /nfs/dbraw/zinc/43/07/46/1097430746.db2.gz CGUWHKKKMUIPGM-CYBMUJFWSA-N -1 0 328.349 2.658 20 30 EFEDRM COCOc1ccc(C#N)cc1-c1cccc([C@@](C)(O)C(=O)[O-])c1 ZINC001606934065 1097476436 /nfs/dbraw/zinc/47/64/36/1097476436.db2.gz XKAJBEBZKOQXFJ-GOSISDBHSA-N -1 0 327.336 2.500 20 30 EFEDRM COCc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)cc(C(=O)[O-])c1 ZINC001606968366 1097483659 /nfs/dbraw/zinc/48/36/59/1097483659.db2.gz XBRKGRUALWMUFD-LBPRGKRZSA-N -1 0 331.372 2.689 20 30 EFEDRM COCc1cc(NC(=O)N2CCC(CC#N)CC2)cc(C(=O)[O-])c1 ZINC001606968403 1097483874 /nfs/dbraw/zinc/48/38/74/1097483874.db2.gz YHZNTUIYNGCCFG-UHFFFAOYSA-N -1 0 331.372 2.689 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001607065342 1097504149 /nfs/dbraw/zinc/50/41/49/1097504149.db2.gz NNVHRUHNPZMTLQ-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001607065696 1097504456 /nfs/dbraw/zinc/50/44/56/1097504456.db2.gz VPDSUYCUSHZSOZ-UHFFFAOYSA-N -1 0 345.380 2.683 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)CC2(C#N)CCCCC2)c1O ZINC001607092704 1097512040 /nfs/dbraw/zinc/51/20/40/1097512040.db2.gz HDGCIOHJXALTBN-UHFFFAOYSA-N -1 0 332.356 2.902 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1OC ZINC001607093337 1097512240 /nfs/dbraw/zinc/51/22/40/1097512240.db2.gz BQQOETGVDZIOLH-JTQLQIEISA-N -1 0 347.371 2.558 20 30 EFEDRM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(C(=O)[O-])n1C)C2 ZINC001607193113 1097556832 /nfs/dbraw/zinc/55/68/32/1097556832.db2.gz GQSBAGIKCDNFKR-XFFZJAGNSA-N -1 0 327.336 2.563 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001607201623 1097558340 /nfs/dbraw/zinc/55/83/40/1097558340.db2.gz LRODKDIBJDSQMS-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C#N)c(Cl)n2)c1 ZINC001607208984 1097561410 /nfs/dbraw/zinc/56/14/10/1097561410.db2.gz RFAZKOYBEROYRW-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2C)cc1 ZINC001607221836 1097564967 /nfs/dbraw/zinc/56/49/67/1097564967.db2.gz BQHXMROYPXVQOS-QGZVFWFLSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1ccc([C@H](NCC#Cc2cccc(Cl)c2)C(=O)[O-])cc1O ZINC001607232946 1097567834 /nfs/dbraw/zinc/56/78/34/1097567834.db2.gz ZAXRECGGYLJZBA-KRWDZBQOSA-N -1 0 345.782 2.821 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001607305262 1097591764 /nfs/dbraw/zinc/59/17/64/1097591764.db2.gz DJSVWRVMALLSBK-UHFFFAOYSA-N -1 0 345.742 2.590 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cc(C#N)ccc2C)c1 ZINC001607308005 1097593501 /nfs/dbraw/zinc/59/35/01/1097593501.db2.gz KVMGZKFQNAFRFD-QGZVFWFLSA-N -1 0 338.363 2.773 20 30 EFEDRM COc1cccc2c1CC/C(=C/c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001607333974 1097604283 /nfs/dbraw/zinc/60/42/83/1097604283.db2.gz RWYYLLCLOXQAFG-LUAWRHEFSA-N -1 0 326.352 2.648 20 30 EFEDRM COc1cccc2c1CC/C(=C\c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001607333975 1097605221 /nfs/dbraw/zinc/60/52/21/1097605221.db2.gz RWYYLLCLOXQAFG-PKNBQFBNSA-N -1 0 326.352 2.648 20 30 EFEDRM COc1cccc2c1OCC/C(=C\c1ccc(C(=O)[O-])n1C)C2=O ZINC001607334835 1097605258 /nfs/dbraw/zinc/60/52/58/1097605258.db2.gz URUPTEMCVSVKHB-ZHACJKMWSA-N -1 0 327.336 2.781 20 30 EFEDRM CSc1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC001607408490 1097621816 /nfs/dbraw/zinc/62/18/16/1097621816.db2.gz JWGKHPGZVIEFDD-STQMWFEESA-N -1 0 332.425 2.787 20 30 EFEDRM CSc1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C#N ZINC001607408667 1097621826 /nfs/dbraw/zinc/62/18/26/1097621826.db2.gz OZCRNPKHBMLANT-DAXSKMNVSA-N -1 0 342.376 2.901 20 30 EFEDRM CSc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001607408481 1097621884 /nfs/dbraw/zinc/62/18/84/1097621884.db2.gz JWGKHPGZVIEFDD-CHWSQXEVSA-N -1 0 332.425 2.787 20 30 EFEDRM CSc1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1C(=O)[O-] ZINC001607409390 1097621993 /nfs/dbraw/zinc/62/19/93/1097621993.db2.gz NVZZBZVBPDOIIJ-CYBMUJFWSA-N -1 0 348.424 2.801 20 30 EFEDRM C[C@H](OC(=O)COc1ccccc1C#N)c1ccc(C(=O)[O-])cc1 ZINC001607462581 1097632777 /nfs/dbraw/zinc/63/27/77/1097632777.db2.gz JALHNUGEYCSUNA-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCCCC1(C#N)CCOCC1 ZINC001607495311 1097642390 /nfs/dbraw/zinc/64/23/90/1097642390.db2.gz LIMHAMGWMZPQDF-UHFFFAOYSA-N -1 0 334.372 2.587 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001607504732 1097644929 /nfs/dbraw/zinc/64/49/29/1097644929.db2.gz SWTPLSOBUVDNQS-UHFFFAOYSA-N -1 0 336.413 2.644 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001607504674 1097644967 /nfs/dbraw/zinc/64/49/67/1097644967.db2.gz RXDYPYGBXSTGNS-OAHLLOKOSA-N -1 0 340.354 2.679 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNc2cncc(Br)c2)n1C ZINC001607511362 1097647087 /nfs/dbraw/zinc/64/70/87/1097647087.db2.gz PVIXERYHQKWSQG-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1c(C(=O)[O-])cc(CNC(=O)Nc2ccc(C#N)cc2Cl)n1C ZINC001607516459 1097648829 /nfs/dbraw/zinc/64/88/29/1097648829.db2.gz PZNGFWVERZYNBX-UHFFFAOYSA-N -1 0 346.774 2.879 20 30 EFEDRM Cc1c(C(=O)[O-])csc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001607520876 1097650137 /nfs/dbraw/zinc/65/01/37/1097650137.db2.gz RJMCSGKEMUJJPN-ZDUSSCGKSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cnn1C(C)C ZINC001607526388 1097651767 /nfs/dbraw/zinc/65/17/67/1097651767.db2.gz RTXSRWHPHFVCQG-UHFFFAOYSA-N -1 0 327.340 2.699 20 30 EFEDRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCc2c(CC#N)cccc2C1 ZINC001607528702 1097653005 /nfs/dbraw/zinc/65/30/05/1097653005.db2.gz MERDREUNZZNRKH-UHFFFAOYSA-N -1 0 344.802 2.625 20 30 EFEDRM Cc1c(NC(=O)Cc2ccc(OCC#N)cc2)ccc(F)c1C(=O)[O-] ZINC001607540083 1097655766 /nfs/dbraw/zinc/65/57/66/1097655766.db2.gz DXTAPOBICMDFJD-UHFFFAOYSA-N -1 0 342.326 2.916 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C[S@@](=O)Cc1cccc(C(=O)[O-])n1 ZINC001607566126 1097662732 /nfs/dbraw/zinc/66/27/32/1097662732.db2.gz ZQFOBOXITDMCDN-QHCPKHFHSA-N -1 0 328.393 2.717 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001607566208 1097662859 /nfs/dbraw/zinc/66/28/59/1097662859.db2.gz OUHMUMUCWCFZOU-MRXNPFEDSA-N -1 0 349.390 2.810 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001607565948 1097662883 /nfs/dbraw/zinc/66/28/83/1097662883.db2.gz KXSGHXVVLXGBBJ-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001607566322 1097662954 /nfs/dbraw/zinc/66/29/54/1097662954.db2.gz SZZCGZCGBCWPOE-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(C#N)cc(N(C)C)c2)s1 ZINC001607586677 1097667070 /nfs/dbraw/zinc/66/70/70/1097667070.db2.gz ALTSYHVGPSYWAH-UHFFFAOYSA-N -1 0 329.381 2.945 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC001607588725 1097668134 /nfs/dbraw/zinc/66/81/34/1097668134.db2.gz VSEKRGXGJJZWIQ-UHFFFAOYSA-N -1 0 349.390 2.980 20 30 EFEDRM Cc1cc2c[nH]nc2c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001607608030 1097674152 /nfs/dbraw/zinc/67/41/52/1097674152.db2.gz LSXWUMMPFMJYCT-UHFFFAOYSA-N -1 0 335.319 2.798 20 30 EFEDRM Cc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)oc1C(=O)[O-] ZINC001607633715 1097684493 /nfs/dbraw/zinc/68/44/93/1097684493.db2.gz TZODTZXMWURBQN-UHFFFAOYSA-N -1 0 331.353 2.557 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)nn1CCC#N ZINC001607689638 1097699587 /nfs/dbraw/zinc/69/95/87/1097699587.db2.gz OPCKIJTUUPPXFR-LBPRGKRZSA-N -1 0 341.371 2.937 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@](C)(C#N)C1 ZINC001607741390 1097715820 /nfs/dbraw/zinc/71/58/20/1097715820.db2.gz XTFORUNTUJVHJH-ACJLOTCBSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)Cc1ccc(C#N)cc1F ZINC001607745661 1097717733 /nfs/dbraw/zinc/71/77/33/1097717733.db2.gz CLADDUOSOKLQIY-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1c(C)cccc1C#N ZINC001607745633 1097718030 /nfs/dbraw/zinc/71/80/30/1097718030.db2.gz AWENMPHIHZNFMP-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)N[C@H](CC#N)C(F)(F)F)cc1 ZINC001607755429 1097721354 /nfs/dbraw/zinc/72/13/54/1097721354.db2.gz YRMXZQONEWNUQB-VXGBXAGGSA-N -1 0 343.305 2.655 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])cc1 ZINC001607756797 1097722354 /nfs/dbraw/zinc/72/23/54/1097722354.db2.gz NNMDDMHNTIDASW-KRWDZBQOSA-N -1 0 347.374 2.946 20 30 EFEDRM Cc1ccc([C@H](CNC(=O)Nc2cc(C)c(C#N)cn2)C(=O)[O-])cc1 ZINC001607758375 1097723186 /nfs/dbraw/zinc/72/31/86/1097723186.db2.gz TYEBEBLJQDBBBF-HNNXBMFYSA-N -1 0 338.367 2.560 20 30 EFEDRM Cc1ccc(C[C@H](Sc2ncc([N+](=O)[O-])cc2C#N)C(=O)[O-])cc1 ZINC001607775357 1097728650 /nfs/dbraw/zinc/72/86/50/1097728650.db2.gz CZAQRQKXFFDQBF-AWEZNQCLSA-N -1 0 343.364 2.958 20 30 EFEDRM Cc1ccc(OS(=O)(=O)CC2(C#N)CCCCC2)c(C(=O)[O-])c1 ZINC001607816043 1097742066 /nfs/dbraw/zinc/74/20/66/1097742066.db2.gz FEVBZQRDHNNWGA-UHFFFAOYSA-N -1 0 337.397 2.876 20 30 EFEDRM Cc1ccc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])c(C#N)c1 ZINC001607821923 1097742812 /nfs/dbraw/zinc/74/28/12/1097742812.db2.gz CZZAIBRDNPAZHZ-MRXNPFEDSA-N -1 0 340.404 2.842 20 30 EFEDRM Cc1ccc(S(C)(=O)=O)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001607822411 1097743770 /nfs/dbraw/zinc/74/37/70/1097743770.db2.gz YDVBOWQLXYWLOB-UHFFFAOYSA-N -1 0 344.392 2.581 20 30 EFEDRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H](C)C2 ZINC001607828885 1097745661 /nfs/dbraw/zinc/74/56/61/1097745661.db2.gz HVKMLBQKICRXSH-CJNGLKHVSA-N -1 0 341.411 2.628 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2csc(C#N)c2)C(=O)[O-])c1 ZINC001607849848 1097753416 /nfs/dbraw/zinc/75/34/16/1097753416.db2.gz NSFLYWDWQCQWPJ-ZDUSSCGKSA-N -1 0 328.393 2.602 20 30 EFEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)CCCCC#N)c1 ZINC001607914635 1097776365 /nfs/dbraw/zinc/77/63/65/1097776365.db2.gz AMYVZVNGOAZYSH-UHFFFAOYSA-N -1 0 326.356 2.901 20 30 EFEDRM Cc1nn2c(C=NNc3cccc(C(=O)[O-])c3C)c(C)nc2s1 ZINC001608009712 1097804012 /nfs/dbraw/zinc/80/40/12/1097804012.db2.gz DMYSSBKRPKOITH-UHFFFAOYSA-N -1 0 329.385 2.860 20 30 EFEDRM Cc1nnsc1C=NNc1cc(C(=O)[O-])ccc1Br ZINC001608019101 1097806573 /nfs/dbraw/zinc/80/65/73/1097806573.db2.gz QXSWKJNMKZBQDL-UHFFFAOYSA-N -1 0 341.190 2.753 20 30 EFEDRM Cc1nsc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C#N ZINC001608030655 1097810064 /nfs/dbraw/zinc/81/00/64/1097810064.db2.gz VWNUBOHOYLSLPO-MLGOLLRUSA-N -1 0 327.365 2.520 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001608034419 1097811688 /nfs/dbraw/zinc/81/16/88/1097811688.db2.gz ZXBGTBOFQBUMGN-UHFFFAOYSA-N -1 0 349.686 2.972 20 30 EFEDRM Cc1oc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608048302 1097815668 /nfs/dbraw/zinc/81/56/68/1097815668.db2.gz GNFYIIWDVYDJFH-SNVBAGLBSA-N -1 0 327.340 2.718 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)CNc1ccc(C#N)cc1 ZINC001608063689 1097822801 /nfs/dbraw/zinc/82/28/01/1097822801.db2.gz BORSEIFNAHIGOZ-UHFFFAOYSA-N -1 0 329.381 2.985 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NS(=O)(=O)CCC(C)(C)C#N ZINC001608066432 1097823484 /nfs/dbraw/zinc/82/34/84/1097823484.db2.gz MPQQPPAFRFQUAN-UHFFFAOYSA-N -1 0 330.431 2.745 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cnn(CCC#N)c1C ZINC001608066439 1097823872 /nfs/dbraw/zinc/82/38/72/1097823872.db2.gz MVTMLIFTDLOCMH-UHFFFAOYSA-N -1 0 332.385 2.734 20 30 EFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001608084877 1097829145 /nfs/dbraw/zinc/82/91/45/1097829145.db2.gz IRCWKUIHXVGOCG-RMEHTXHKSA-N -1 0 337.379 2.785 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC001608107256 1097836498 /nfs/dbraw/zinc/83/64/98/1097836498.db2.gz NUXJRRRIDFHIDO-UQCOIBPSSA-N -1 0 340.335 2.576 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001608170313 1097849506 /nfs/dbraw/zinc/84/95/06/1097849506.db2.gz MXSBBHQMCZPMIV-QGZVFWFLSA-N -1 0 336.391 2.816 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001608169661 1097849522 /nfs/dbraw/zinc/84/95/22/1097849522.db2.gz ARZWXFIADWGHMR-HNNXBMFYSA-N -1 0 340.354 2.913 20 30 EFEDRM Cn1ncnc1-c1ccc(OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001608166553 1097849758 /nfs/dbraw/zinc/84/97/58/1097849758.db2.gz RNMKNFPNVHKWSQ-UHFFFAOYSA-N -1 0 334.335 2.631 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCCc2cc(F)ccc2F)CC1 ZINC001608172061 1097850352 /nfs/dbraw/zinc/85/03/52/1097850352.db2.gz VDOOUCQMPJFYIF-UHFFFAOYSA-N -1 0 336.338 2.504 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cscc2Br)CC1 ZINC001608173801 1097850520 /nfs/dbraw/zinc/85/05/20/1097850520.db2.gz BQZIXOHXEWSRTO-UHFFFAOYSA-N -1 0 329.219 2.701 20 30 EFEDRM N#CC1(CNC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCC1 ZINC001608174817 1097851951 /nfs/dbraw/zinc/85/19/51/1097851951.db2.gz DHOKRXKJOYLYJN-UHFFFAOYSA-N -1 0 337.173 2.571 20 30 EFEDRM N#C[C@@]1(C(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)CC12CCCC2 ZINC001608175655 1097851959 /nfs/dbraw/zinc/85/19/59/1097851959.db2.gz FJPGKPUFWGZTSH-GOSISDBHSA-N -1 0 327.336 2.585 20 30 EFEDRM N#CC1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCOCC1 ZINC001608175496 1097852117 /nfs/dbraw/zinc/85/21/17/1097852117.db2.gz HSVVJJCXBQULPV-UHFFFAOYSA-N -1 0 329.278 2.531 20 30 EFEDRM N#CC1(CNCc2oc(Br)cc2C(=O)[O-])CCCC1 ZINC001608175829 1097852398 /nfs/dbraw/zinc/85/23/98/1097852398.db2.gz OSWMUZQHQLXODW-UHFFFAOYSA-N -1 0 327.178 2.914 20 30 EFEDRM N#C[C@]1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCCOC1 ZINC001608175674 1097852408 /nfs/dbraw/zinc/85/24/08/1097852408.db2.gz FUBWBWXCYYDTDD-CRAIPNDOSA-N -1 0 329.352 2.626 20 30 EFEDRM N#C[C@]1(NC(=O)CC2(CC(=O)[O-])CCCC2)CCc2ccccc2C1 ZINC001608176755 1097852576 /nfs/dbraw/zinc/85/25/76/1097852576.db2.gz CNFIRQXOSPRZBG-FQEVSTJZSA-N -1 0 340.423 2.979 20 30 EFEDRM N#C[C@@]1(NC(=O)c2ccc(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001608177302 1097852859 /nfs/dbraw/zinc/85/28/59/1097852859.db2.gz RSQPYWRXBFMRHI-LJQANCHMSA-N -1 0 338.338 2.705 20 30 EFEDRM N#C[C@]1(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CCc2ccccc2C1 ZINC001608177017 1097852889 /nfs/dbraw/zinc/85/28/89/1097852889.db2.gz JAFACKZHTZDVKD-IBGZPJMESA-N -1 0 338.338 2.705 20 30 EFEDRM N#CC1(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCCCC1 ZINC001608177031 1097853346 /nfs/dbraw/zinc/85/33/46/1097853346.db2.gz JPCLKUATEDLWQS-UHFFFAOYSA-N -1 0 325.368 2.682 20 30 EFEDRM N#CCCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608180514 1097853477 /nfs/dbraw/zinc/85/34/77/1097853477.db2.gz RENDRMKBFQNHJJ-UHFFFAOYSA-N -1 0 335.429 2.569 20 30 EFEDRM N#C[C@@]1(F)CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001608176751 1097853527 /nfs/dbraw/zinc/85/35/27/1097853527.db2.gz CIQYGVLHBWDQCE-YPMHNXCESA-N -1 0 327.153 2.512 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001608182528 1097853973 /nfs/dbraw/zinc/85/39/73/1097853973.db2.gz CUCWCAPNYURAEC-JOCQHMNTSA-N -1 0 325.368 2.538 20 30 EFEDRM N#CCCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)CC1CC1 ZINC001608183291 1097854268 /nfs/dbraw/zinc/85/42/68/1097854268.db2.gz XQXZWEDGXKJFCN-UHFFFAOYSA-N -1 0 325.368 2.674 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001608189132 1097854696 /nfs/dbraw/zinc/85/46/96/1097854696.db2.gz DAPCXMZFDSONJL-ZDUSSCGKSA-N -1 0 332.356 2.899 20 30 EFEDRM N#CCc1ccsc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001608189296 1097854788 /nfs/dbraw/zinc/85/47/88/1097854788.db2.gz LLKDIHVDEXBTBQ-ZJUUUORDSA-N -1 0 346.330 2.539 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001608189004 1097854856 /nfs/dbraw/zinc/85/48/56/1097854856.db2.gz USCPKLSYWSMFDI-KRWDZBQOSA-N -1 0 343.310 2.640 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccncc1C(=O)[O-] ZINC001608188919 1097855511 /nfs/dbraw/zinc/85/55/11/1097855511.db2.gz QAIXHQGPNVYESU-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM N#CCc1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001608189934 1097855963 /nfs/dbraw/zinc/85/59/63/1097855963.db2.gz VEWLTYLXPWXOSA-UHFFFAOYSA-N -1 0 341.323 2.736 20 30 EFEDRM N#Cc1c(CN2CCN(c3ccccc3F)CC2)cccc1C(=O)[O-] ZINC001608190229 1097856081 /nfs/dbraw/zinc/85/60/81/1097856081.db2.gz ANYRAHWIGZZMLI-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#CCn1c(C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC001608190355 1097856278 /nfs/dbraw/zinc/85/62/78/1097856278.db2.gz PCGMHBPBXVEUSQ-ZIAGYGMSSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1C(=O)[O-] ZINC001608191196 1097856441 /nfs/dbraw/zinc/85/64/41/1097856441.db2.gz IMRQJUAFDICLQI-KBAYOESNSA-N -1 0 328.412 2.772 20 30 EFEDRM N#Cc1cc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)ccc1Cl ZINC001608194052 1097857235 /nfs/dbraw/zinc/85/72/35/1097857235.db2.gz OJFKZRXOIDMWOD-UHFFFAOYSA-N -1 0 342.738 2.949 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1F ZINC001608192093 1097857355 /nfs/dbraw/zinc/85/73/55/1097857355.db2.gz IWYBHDUEJINKHS-MRXNPFEDSA-N -1 0 342.301 2.661 20 30 EFEDRM N#Cc1c(Cn2ccnc2[C@@H](O)c2ccccc2)cccc1C(=O)[O-] ZINC001608192250 1097857421 /nfs/dbraw/zinc/85/74/21/1097857421.db2.gz LFDGOXPTWOEFGG-KRWDZBQOSA-N -1 0 333.347 2.583 20 30 EFEDRM N#Cc1c(COC(=O)c2coc(C3CCC3)n2)cccc1C(=O)[O-] ZINC001608192629 1097857583 /nfs/dbraw/zinc/85/75/83/1097857583.db2.gz VELBUMZGCSPECC-UHFFFAOYSA-N -1 0 326.308 2.869 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])ccn1 ZINC001608194405 1097857594 /nfs/dbraw/zinc/85/75/94/1097857594.db2.gz VBEIOZWPXHKNRM-KDOFPFPSSA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])n1 ZINC001608195574 1097857607 /nfs/dbraw/zinc/85/76/07/1097857607.db2.gz CIEYODJIOMOWFL-JOYOIKCWSA-N -1 0 343.305 2.654 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCc4cc(C(=O)[O-])ccc4C3)ccc12 ZINC001608195234 1097857658 /nfs/dbraw/zinc/85/76/58/1097857658.db2.gz JMSAHXKBKZRTQB-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)ccn1 ZINC001608193368 1097857943 /nfs/dbraw/zinc/85/79/43/1097857943.db2.gz DGMZXVNPKUULPV-UHFFFAOYSA-N -1 0 336.351 2.504 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608194212 1097858021 /nfs/dbraw/zinc/85/80/21/1097858021.db2.gz LPAXHEFYOVHXFA-GCULGPDHSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001608196917 1097858345 /nfs/dbraw/zinc/85/83/45/1097858345.db2.gz KODHTSDMYKXTRK-UHFFFAOYSA-N -1 0 348.721 2.766 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])c(F)c1 ZINC001608196982 1097858379 /nfs/dbraw/zinc/85/83/79/1097858379.db2.gz MJFMEVUNSBGNFL-CQSZACIVSA-N -1 0 349.264 2.828 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c(F)c1 ZINC001608197321 1097858569 /nfs/dbraw/zinc/85/85/69/1097858569.db2.gz XQDJWNJTABCUCM-CQSZACIVSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1ccc(-c2ccccc2)nc1SC[C@@H]1CC(C(=O)[O-])=NO1 ZINC001608198348 1097858640 /nfs/dbraw/zinc/85/86/40/1097858640.db2.gz BHAWPPUIUWDHGS-ZDUSSCGKSA-N -1 0 339.376 2.942 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)C34CC(C(=O)[O-])(C3)C4)cc2)ccn1 ZINC001608197864 1097858837 /nfs/dbraw/zinc/85/88/37/1097858837.db2.gz SHDJRFBMNKQLKA-UHFFFAOYSA-N -1 0 349.346 2.939 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC001608198117 1097859015 /nfs/dbraw/zinc/85/90/15/1097859015.db2.gz NYTGIUVRXSGBOK-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001608199008 1097859415 /nfs/dbraw/zinc/85/94/15/1097859415.db2.gz OCRXGJZBXDFJLD-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)s1 ZINC001608199063 1097859453 /nfs/dbraw/zinc/85/94/53/1097859453.db2.gz QLGPOBLANQVUJK-VIFPVBQESA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)[nH]1 ZINC001608200198 1097859479 /nfs/dbraw/zinc/85/94/79/1097859479.db2.gz WZRBRJSGFHVQDS-UHFFFAOYSA-N -1 0 335.113 2.566 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)cc1Cl ZINC001608198784 1097859581 /nfs/dbraw/zinc/85/95/81/1097859581.db2.gz BHRDLEBMNLNJFO-UHFFFAOYSA-N -1 0 341.754 2.503 20 30 EFEDRM N#Cc1cc2cccnc2nc1N(CCc1ccccc1)CC(=O)[O-] ZINC001608198679 1097859627 /nfs/dbraw/zinc/85/96/27/1097859627.db2.gz VNGGEZXTIBXOEM-UHFFFAOYSA-N -1 0 332.363 2.635 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c(F)c1 ZINC001608199366 1097859644 /nfs/dbraw/zinc/85/96/44/1097859644.db2.gz DRTSMHKRXPRCOE-VIFPVBQESA-N -1 0 345.355 2.596 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)Cc1cccc(C(=O)[O-])c1)CCCC2 ZINC001608198700 1097860152 /nfs/dbraw/zinc/86/01/52/1097860152.db2.gz WYACDAUCZNOFMM-UHFFFAOYSA-N -1 0 335.363 2.711 20 30 EFEDRM N#Cc1ccc([C@@H](NCc2ccn(Cc3ccccc3)n2)C(=O)[O-])cc1 ZINC001608202945 1097860670 /nfs/dbraw/zinc/86/06/70/1097860670.db2.gz YPEUQGHJMSKXCP-LJQANCHMSA-N -1 0 346.390 2.719 20 30 EFEDRM N#Cc1ccc([C@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC001608202131 1097860903 /nfs/dbraw/zinc/86/09/03/1097860903.db2.gz MBVRRJKJMADIHH-INIZCTEOSA-N -1 0 327.409 2.809 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c(F)c1 ZINC001608200893 1097860947 /nfs/dbraw/zinc/86/09/47/1097860947.db2.gz SQZVLMGLHYVUCG-VMBJYNEYSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1ccc([C@@H](O)COc2ccccc2SCC(=O)[O-])cc1 ZINC001608202269 1097861243 /nfs/dbraw/zinc/86/12/43/1097861243.db2.gz NRWGJSIOJKLIBJ-AWEZNQCLSA-N -1 0 329.377 2.847 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001608204611 1097861505 /nfs/dbraw/zinc/86/15/05/1097861505.db2.gz LMMIKJALPFKVGG-UHFFFAOYSA-N -1 0 334.335 2.704 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2OCCc3ccccc32)C(=O)[O-])cc1 ZINC001608203704 1097861980 /nfs/dbraw/zinc/86/19/80/1097861980.db2.gz RWQFEOWTEYNEAW-IAGOWNOFSA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2OCCc3ccccc32)C(=O)[O-])cc1 ZINC001608203705 1097862321 /nfs/dbraw/zinc/86/23/21/1097862321.db2.gz RWQFEOWTEYNEAW-IRXDYDNUSA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3csc(C(=O)[O-])c3)CCO2)cc1 ZINC001608204272 1097862453 /nfs/dbraw/zinc/86/24/53/1097862453.db2.gz YFMCMGYGKZHBEC-OAHLLOKOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC001608206592 1097862679 /nfs/dbraw/zinc/86/26/79/1097862679.db2.gz ZPPCHGYYEARHMS-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)nc1 ZINC001608207476 1097862700 /nfs/dbraw/zinc/86/27/00/1097862700.db2.gz QLUCMUOVTSRYTN-IYBDPMFKSA-N -1 0 335.363 2.597 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001608206385 1097863031 /nfs/dbraw/zinc/86/30/31/1097863031.db2.gz WUUFXPWPYYOGEW-LBPRGKRZSA-N -1 0 349.818 2.727 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001608207185 1097863254 /nfs/dbraw/zinc/86/32/54/1097863254.db2.gz WIIVKKCAAHEHKB-HZPDHXFCSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC001608210577 1097863997 /nfs/dbraw/zinc/86/39/97/1097863997.db2.gz SVLSDTWQWXMPJB-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001608208247 1097864061 /nfs/dbraw/zinc/86/40/61/1097864061.db2.gz MBRAHWCEZMGPNA-UHFFFAOYSA-N -1 0 337.335 2.683 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC001608208858 1097864137 /nfs/dbraw/zinc/86/41/37/1097864137.db2.gz QUHQNBKCRKRHNP-UHFFFAOYSA-N -1 0 334.335 2.788 20 30 EFEDRM N#Cc1ccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC001608208944 1097864197 /nfs/dbraw/zinc/86/41/97/1097864197.db2.gz SHQQJYGRPCABQC-ZDUSSCGKSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1ccc(OCC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001608210263 1097864213 /nfs/dbraw/zinc/86/42/13/1097864213.db2.gz JKMBGLCNIDDIGB-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1ccc(OC2CN(Cc3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001608209237 1097864351 /nfs/dbraw/zinc/86/43/51/1097864351.db2.gz MGMKAVAPFWTBFA-UHFFFAOYSA-N -1 0 326.327 2.659 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001608209937 1097864441 /nfs/dbraw/zinc/86/44/41/1097864441.db2.gz XDDCLUQJKHZNGH-QGZVFWFLSA-N -1 0 336.347 2.944 20 30 EFEDRM N#Cc1cccc([C@@H](NCc2ncc(-c3ccccc3)cn2)C(=O)[O-])c1 ZINC001608214515 1097865007 /nfs/dbraw/zinc/86/50/07/1097865007.db2.gz BRWBQTNVEDKZJW-LJQANCHMSA-N -1 0 344.374 2.931 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC001608214402 1097865201 /nfs/dbraw/zinc/86/52/01/1097865201.db2.gz AGLFUDVVQNTLFH-KRWDZBQOSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCCCC[C@H]3C(=O)[O-])on2)c1 ZINC001608214311 1097865308 /nfs/dbraw/zinc/86/53/08/1097865308.db2.gz LZAOHGRQWXQGLN-HNNXBMFYSA-N -1 0 339.351 2.683 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C2 ZINC001608213442 1097865509 /nfs/dbraw/zinc/86/55/09/1097865509.db2.gz MQTBIIMUBVJLIW-LBPRGKRZSA-N -1 0 327.365 2.607 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608214678 1097865964 /nfs/dbraw/zinc/86/59/64/1097865964.db2.gz SCXWCZXGOKHFNH-BBWFWOEESA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H](O)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216441 1097866269 /nfs/dbraw/zinc/86/62/69/1097866269.db2.gz JWJGWMZCYVZXOZ-HUUCEWRRSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCc2ccc(F)cc2)C(=O)[O-])c1 ZINC001608216482 1097866542 /nfs/dbraw/zinc/86/65/42/1097866542.db2.gz KPMCESGHSPUEBZ-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CCCCCC(=O)C2)C(=O)[O-])c1 ZINC001608216724 1097867256 /nfs/dbraw/zinc/86/72/56/1097867256.db2.gz SBSIQXATXZIMNI-ZBFHGGJFSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-n3cccc3)ccn2)C(=O)[O-])c1 ZINC001608216621 1097867280 /nfs/dbraw/zinc/86/72/80/1097867280.db2.gz OSHCBERFFCSFSB-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)c1 ZINC001608217838 1097867343 /nfs/dbraw/zinc/86/73/43/1097867343.db2.gz VSSAGWYEINFOSV-ZWKOTPCHSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CCOc3ccccc32)C(=O)[O-])c1 ZINC001608216800 1097867399 /nfs/dbraw/zinc/86/73/99/1097867399.db2.gz VQFPJPXSSDFVHR-WBVHZDCISA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CNc2ccccc2Cl)C(=O)[O-])c1 ZINC001608216691 1097867408 /nfs/dbraw/zinc/86/74/08/1097867408.db2.gz QOKJFYSRIGHFIE-MRXNPFEDSA-N -1 0 344.754 2.993 20 30 EFEDRM N#Cc1cccc(C2(C(=O)NC[C@H](C(=O)[O-])C3CCCCC3)CC2)c1 ZINC001608216710 1097867641 /nfs/dbraw/zinc/86/76/41/1097867641.db2.gz RRUNGFOEXVNUBO-KRWDZBQOSA-N -1 0 340.423 2.987 20 30 EFEDRM N#Cc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001608217382 1097867665 /nfs/dbraw/zinc/86/76/65/1097867665.db2.gz BKVMLIHEYOVLNE-CQSZACIVSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001608217969 1097867824 /nfs/dbraw/zinc/86/78/24/1097867824.db2.gz AOSUGHYZPUDHMS-OTWHNJEPSA-N -1 0 346.386 2.872 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)OCCCC(=O)C(=O)[O-] ZINC001608220398 1097868139 /nfs/dbraw/zinc/86/81/39/1097868139.db2.gz BGIBQBPJOCTIRB-UHFFFAOYSA-N -1 0 337.331 2.816 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1 ZINC001608218494 1097868343 /nfs/dbraw/zinc/86/83/43/1097868343.db2.gz PJXUEDJNDDGVAY-DLBZAZTESA-N -1 0 332.359 2.949 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NCc3ccccc3CC(=O)[O-])c21 ZINC001608220890 1097869474 /nfs/dbraw/zinc/86/94/74/1097869474.db2.gz LDFJGYSUHAIWLU-UHFFFAOYSA-N -1 0 333.347 2.597 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001608223217 1097869566 /nfs/dbraw/zinc/86/95/66/1097869566.db2.gz VYMITZZIQKQHMQ-ZWNOBZJWSA-N -1 0 345.786 2.909 20 30 EFEDRM N#Cc1cnc2ccccc2c1NCCOc1ccc(C(=O)[O-])cc1 ZINC001608222966 1097869574 /nfs/dbraw/zinc/86/95/74/1097869574.db2.gz OUDVLOBAHVQJLD-UHFFFAOYSA-N -1 0 333.347 2.717 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1COC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001608221272 1097869646 /nfs/dbraw/zinc/86/96/46/1097869646.db2.gz RMQBXDJEILOQSK-UHFFFAOYSA-N -1 0 346.339 2.935 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001608223129 1097869719 /nfs/dbraw/zinc/86/97/19/1097869719.db2.gz OSKQEEPUXDDPSS-UHFFFAOYSA-N -1 0 327.365 2.908 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(Cl)c1 ZINC001608222460 1097869909 /nfs/dbraw/zinc/86/99/09/1097869909.db2.gz DPFDTJVXKXBVGY-UHFFFAOYSA-N -1 0 345.742 2.712 20 30 EFEDRM N#Cc1nc(F)ccc1OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001608223956 1097870729 /nfs/dbraw/zinc/87/07/29/1097870729.db2.gz IXCYQAZVQPEHCF-UHFFFAOYSA-N -1 0 336.706 2.902 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCC1(c2ccccc2)CCOCC1 ZINC001608223910 1097870783 /nfs/dbraw/zinc/87/07/83/1097870783.db2.gz HBHNVKZHJXISER-UHFFFAOYSA-N -1 0 337.379 2.812 20 30 EFEDRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)OC(=O)C#Cc1ccccc1 ZINC001608277769 1097879043 /nfs/dbraw/zinc/87/90/43/1097879043.db2.gz RFQPEIFHEKLKQY-MRXNPFEDSA-N -1 0 328.751 2.931 20 30 EFEDRM O=C([O-])c1cccc2c1CCN2C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001608284783 1097881674 /nfs/dbraw/zinc/88/16/74/1097881674.db2.gz RFLUOIUKYMUSCF-TWGQIWQCSA-N -1 0 339.322 2.696 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001608285073 1097881715 /nfs/dbraw/zinc/88/17/15/1097881715.db2.gz WNNNXWGTEXKVQK-BAQGIRSFSA-N -1 0 339.322 2.696 20 30 EFEDRM O=C([O-])c1occc1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC001608288100 1097883123 /nfs/dbraw/zinc/88/31/23/1097883123.db2.gz IZTYFKZZKLSLJA-UTCJRWHESA-N -1 0 327.336 2.711 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)Nc2ccc(F)cc2F)cc1 ZINC001608349388 1097899336 /nfs/dbraw/zinc/89/93/36/1097899336.db2.gz ICYOOWYKZFTRQI-UHFFFAOYSA-N -1 0 334.278 2.652 20 30 EFEDRM O=C([O-])[C@@H](F)CNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001608456893 1097925164 /nfs/dbraw/zinc/92/51/64/1097925164.db2.gz NBZQGHKZKFVEQT-HNNXBMFYSA-N -1 0 326.327 2.631 20 30 EFEDRM O=C([O-])CCC[C@@H]1CCCC(=NNC(=S)NCc2cccnc2)C1 ZINC001608709375 1097996074 /nfs/dbraw/zinc/99/60/74/1097996074.db2.gz OHRIDPQJABARPD-ZDUSSCGKSA-N -1 0 348.472 2.847 20 30 EFEDRM O=C([O-])CCC[C@H]1CCCC(=NNC(=S)NCc2cccnc2)C1 ZINC001608709374 1097996396 /nfs/dbraw/zinc/99/63/96/1097996396.db2.gz OHRIDPQJABARPD-CYBMUJFWSA-N -1 0 348.472 2.847 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C/c2ccc(N3CCOCC3)c(F)c2)c1 ZINC001608986031 1098099067 /nfs/dbraw/zinc/09/90/67/1098099067.db2.gz WGOVSOBIRKTFTI-DUXPYHPUSA-N -1 0 345.326 2.850 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC001609054951 1098123042 /nfs/dbraw/zinc/12/30/42/1098123042.db2.gz SPRUTMLBWKRFLW-QGZVFWFLSA-N -1 0 343.427 2.629 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)C ZINC001609058198 1098124338 /nfs/dbraw/zinc/12/43/38/1098124338.db2.gz RXHLRLDQOXADAY-AWEZNQCLSA-N -1 0 340.383 2.658 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)C ZINC001609058199 1098124420 /nfs/dbraw/zinc/12/44/20/1098124420.db2.gz RXHLRLDQOXADAY-CQSZACIVSA-N -1 0 340.383 2.658 20 30 EFEDRM C#C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001609058185 1098124638 /nfs/dbraw/zinc/12/46/38/1098124638.db2.gz RHALDVKFGWANRB-CQSZACIVSA-N -1 0 332.718 2.677 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(C)(C)C ZINC001609058022 1098124741 /nfs/dbraw/zinc/12/47/41/1098124741.db2.gz NEADJGAEGOOBQD-QMMMGPOBSA-N -1 0 349.861 2.734 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)C2SC=CC2=O)o1 ZINC001609061659 1098127387 /nfs/dbraw/zinc/12/73/87/1098127387.db2.gz PPAITXDXDUIHOK-UHFFFAOYSA-N -1 0 347.404 2.656 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccsc2)o1 ZINC001609061519 1098128015 /nfs/dbraw/zinc/12/80/15/1098128015.db2.gz JAIJYERMYLVFCF-UHFFFAOYSA-N -1 0 331.405 2.951 20 30 EFEDRM C#CCC(CC#C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001609076489 1098133676 /nfs/dbraw/zinc/13/36/76/1098133676.db2.gz NXKQVFAYJRNHAR-FQEVSTJZSA-N -1 0 347.414 2.862 20 30 EFEDRM C#CCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001609105334 1098147089 /nfs/dbraw/zinc/14/70/89/1098147089.db2.gz VPHHZIJCIZBZLT-KRWDZBQOSA-N -1 0 326.396 2.864 20 30 EFEDRM C#CCN(CC)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001609152799 1098171614 /nfs/dbraw/zinc/17/16/14/1098171614.db2.gz HWFSDKOLKWAOJU-UHFFFAOYSA-N -1 0 343.152 2.773 20 30 EFEDRM C#CCOc1cccc(Cl)c1CNc1cnn(CC(=O)[O-])c1C ZINC001609167536 1098180020 /nfs/dbraw/zinc/18/00/20/1098180020.db2.gz FRGGIFATIKYIKX-UHFFFAOYSA-N -1 0 333.775 2.554 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001609167577 1098181018 /nfs/dbraw/zinc/18/10/18/1098181018.db2.gz JYPCMYNQGOHGLC-UHFFFAOYSA-N -1 0 328.295 2.893 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001609189859 1098190072 /nfs/dbraw/zinc/19/00/72/1098190072.db2.gz HFZGXWLWEAEJSG-IBGZPJMESA-N -1 0 335.403 2.803 20 30 EFEDRM C=C(CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001609259282 1098228087 /nfs/dbraw/zinc/22/80/87/1098228087.db2.gz GBLTXAITCWAJFG-UHFFFAOYSA-N -1 0 340.379 2.776 20 30 EFEDRM C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001609257702 1098228269 /nfs/dbraw/zinc/22/82/69/1098228269.db2.gz MYDNNEVUNZKKLL-UHFFFAOYSA-N -1 0 343.431 2.931 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001609257460 1098228691 /nfs/dbraw/zinc/22/86/91/1098228691.db2.gz FUKJHKWKBOQGLN-GOSISDBHSA-N -1 0 344.415 2.533 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001609267355 1098231924 /nfs/dbraw/zinc/23/19/24/1098231924.db2.gz RTRJXEANOSCPFM-LSDHHAIUSA-N -1 0 346.210 2.737 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001609287057 1098238917 /nfs/dbraw/zinc/23/89/17/1098238917.db2.gz CRVHIHXIBCSYAM-NSHDSACASA-N -1 0 336.775 2.544 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001609290365 1098239026 /nfs/dbraw/zinc/23/90/26/1098239026.db2.gz DHILJWVCGGOMPY-JTQLQIEISA-N -1 0 334.397 2.906 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1c(C)cc(C(=O)[O-])cc1Cl ZINC001609290385 1098239225 /nfs/dbraw/zinc/23/92/25/1098239225.db2.gz FJFYGRLXPMKKGD-LLVKDONJSA-N -1 0 338.791 2.756 20 30 EFEDRM COC1(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCCCC1 ZINC001609312392 1098245241 /nfs/dbraw/zinc/24/52/41/1098245241.db2.gz DLRGVXOYWJXIPV-UHFFFAOYSA-N -1 0 347.423 2.899 20 30 EFEDRM COc1cc(F)cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001609345067 1098256893 /nfs/dbraw/zinc/25/68/93/1098256893.db2.gz HKPJPBMLFLFLQO-UHFFFAOYSA-N -1 0 345.338 2.572 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(C)(C)c1cccc2ccccc21)C(=O)[O-] ZINC001609432454 1098318195 /nfs/dbraw/zinc/31/81/95/1098318195.db2.gz UKXVTYFJODXXLC-KRWDZBQOSA-N -1 0 341.407 2.889 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)[O-] ZINC001609442719 1098325691 /nfs/dbraw/zinc/32/56/91/1098325691.db2.gz CQHZJWPQMPWKFD-KRWDZBQOSA-N -1 0 340.379 2.816 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)[O-] ZINC001609442720 1098326862 /nfs/dbraw/zinc/32/68/62/1098326862.db2.gz CQHZJWPQMPWKFD-QGZVFWFLSA-N -1 0 340.379 2.816 20 30 EFEDRM C=CCOc1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001609460055 1098335826 /nfs/dbraw/zinc/33/58/26/1098335826.db2.gz DJMMCUDWTIGLBU-UHFFFAOYSA-N -1 0 341.367 2.595 20 30 EFEDRM C=CCc1ccc(OCC(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC001609463843 1098336016 /nfs/dbraw/zinc/33/60/16/1098336016.db2.gz BPIWLMIXVMVQPM-GJZGRUSLSA-N -1 0 348.395 2.989 20 30 EFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001609460506 1098336516 /nfs/dbraw/zinc/33/65/16/1098336516.db2.gz YVFMDGFKBPYRBD-UHFFFAOYSA-N -1 0 346.364 2.588 20 30 EFEDRM C=CCOc1cccnc1C(=O)Oc1ccc(C(=O)[O-])c(OC)c1 ZINC001609461542 1098337258 /nfs/dbraw/zinc/33/72/58/1098337258.db2.gz AKWWTLWRNMTQBY-UHFFFAOYSA-N -1 0 329.308 2.572 20 30 EFEDRM C=CCn1cnn(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1=S ZINC001609485239 1098351147 /nfs/dbraw/zinc/35/11/47/1098351147.db2.gz IGFZAEXKVGBKGA-CQSZACIVSA-N -1 0 346.456 2.780 20 30 EFEDRM C/C(=C/CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001609503198 1098364234 /nfs/dbraw/zinc/36/42/34/1098364234.db2.gz GHRHMGJBNJWKAD-AKOROQJMSA-N -1 0 333.819 2.553 20 30 EFEDRM C/C(=C\CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001609503199 1098364483 /nfs/dbraw/zinc/36/44/83/1098364483.db2.gz GHRHMGJBNJWKAD-RBBXRFMQSA-N -1 0 333.819 2.553 20 30 EFEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1ccnn1C ZINC001609557026 1098379972 /nfs/dbraw/zinc/37/99/72/1098379972.db2.gz YTSJLOPPGPVYCZ-UHFFFAOYSA-N -1 0 337.177 2.717 20 30 EFEDRM CC(=NOCc1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001609567752 1098382861 /nfs/dbraw/zinc/38/28/61/1098382861.db2.gz HBQAQZHSMSRIAS-UHFFFAOYSA-N -1 0 344.323 2.999 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609631008 1098409923 /nfs/dbraw/zinc/40/99/23/1098409923.db2.gz MEPSZROQZUAJCF-UUIJZJDISA-N -1 0 345.424 2.733 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609631433 1098410028 /nfs/dbraw/zinc/41/00/28/1098410028.db2.gz CHUQLNQNOHPXGD-SJCJKPOMSA-N -1 0 331.372 2.696 20 30 EFEDRM C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001609631566 1098410166 /nfs/dbraw/zinc/41/01/66/1098410166.db2.gz IAZCQRPTSXAEBL-GHMZBOCLSA-N -1 0 331.397 2.983 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001609647552 1098415441 /nfs/dbraw/zinc/41/54/41/1098415441.db2.gz VDPWQSFJPGTWLJ-UHFFFAOYSA-N -1 0 341.319 2.819 20 30 EFEDRM CC(C)(NC(=O)c1ccc(C#N)c(Cl)c1)c1nocc1C(=O)[O-] ZINC001609680124 1098425353 /nfs/dbraw/zinc/42/53/53/1098425353.db2.gz QPTUDARBRYSOQC-UHFFFAOYSA-N -1 0 333.731 2.563 20 30 EFEDRM CC(C)[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NC1CCCC1 ZINC001609687393 1098427941 /nfs/dbraw/zinc/42/79/41/1098427941.db2.gz HWFOHYMLOYGZAM-MRXNPFEDSA-N -1 0 332.400 2.819 20 30 EFEDRM C[C@H](CCN=Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC001609737516 1098442601 /nfs/dbraw/zinc/44/26/01/1098442601.db2.gz AERPZAPBORGRRT-SSDOTTSWSA-N -1 0 330.138 2.866 20 30 EFEDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609752763 1098446979 /nfs/dbraw/zinc/44/69/79/1098446979.db2.gz FEAWPUPPYYSRDP-LBPRGKRZSA-N -1 0 334.803 2.736 20 30 EFEDRM C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609764947 1098450279 /nfs/dbraw/zinc/45/02/79/1098450279.db2.gz WPPRYUYMRHXVRG-KBXCAEBGSA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001609764949 1098450308 /nfs/dbraw/zinc/45/03/08/1098450308.db2.gz WPPRYUYMRHXVRG-KSSFIOAISA-N -1 0 336.391 2.549 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001609768939 1098451053 /nfs/dbraw/zinc/45/10/53/1098451053.db2.gz REQQMIPASUDINF-VIFPVBQESA-N -1 0 346.368 2.626 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001609804079 1098463476 /nfs/dbraw/zinc/46/34/76/1098463476.db2.gz CAKASBWQXFAAFL-QWRGUYRKSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001609832737 1098471293 /nfs/dbraw/zinc/47/12/93/1098471293.db2.gz HANSVFOBWZDPCU-IONNQARKSA-N -1 0 335.285 2.823 20 30 EFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC001609832741 1098471455 /nfs/dbraw/zinc/47/14/55/1098471455.db2.gz HANSVFOBWZDPCU-VXNVDRBHSA-N -1 0 335.285 2.823 20 30 EFEDRM CC1CC(C#N)(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)C1 ZINC001609840954 1098473863 /nfs/dbraw/zinc/47/38/63/1098473863.db2.gz URYMBFKNCYUGKD-YMLSPDBKSA-N -1 0 348.349 2.531 20 30 EFEDRM CC1CCC(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001609848979 1098476554 /nfs/dbraw/zinc/47/65/54/1098476554.db2.gz GNWSAJFKBQURPL-UHFFFAOYSA-N -1 0 331.368 2.895 20 30 EFEDRM CCC(C)(C)N(CCC#N)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001609893891 1098487003 /nfs/dbraw/zinc/48/70/03/1098487003.db2.gz SPMAQIXXAZITPE-UHFFFAOYSA-N -1 0 347.415 2.697 20 30 EFEDRM CC[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001609919263 1098494119 /nfs/dbraw/zinc/49/41/19/1098494119.db2.gz KWNRBCBIQMQOHB-ZDUSSCGKSA-N -1 0 327.384 2.786 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)n1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609928703 1098496825 /nfs/dbraw/zinc/49/68/25/1098496825.db2.gz DLOAIYBHQUMPCB-KRWDZBQOSA-N -1 0 345.786 2.670 20 30 EFEDRM CC[C@](NC(=O)c1ccnc(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609928590 1098496909 /nfs/dbraw/zinc/49/69/09/1098496909.db2.gz LFEBXFYREQHZPA-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM CC[C@@](NC(=O)c1c[nH]c(C#N)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609933189 1098498534 /nfs/dbraw/zinc/49/85/34/1098498534.db2.gz IXPPDFOTSSGBAF-INIZCTEOSA-N -1 0 331.759 2.660 20 30 EFEDRM CC[C@@H](O)CNN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001609934802 1098498549 /nfs/dbraw/zinc/49/85/49/1098498549.db2.gz GRIZBLZSVVHGQJ-QGZVFWFLSA-N -1 0 342.395 2.658 20 30 EFEDRM CC[C@H](O)CNN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001609934798 1098498612 /nfs/dbraw/zinc/49/86/12/1098498612.db2.gz GRIZBLZSVVHGQJ-KRWDZBQOSA-N -1 0 342.395 2.658 20 30 EFEDRM CCOc1ccc(NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001610042063 1098528506 /nfs/dbraw/zinc/52/85/06/1098528506.db2.gz JXXLESPZYDMSMV-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM CCc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1O ZINC001610059558 1098533634 /nfs/dbraw/zinc/53/36/34/1098533634.db2.gz YMULBQGIAPKZHO-INIZCTEOSA-N -1 0 325.320 2.809 20 30 EFEDRM CCc1ccc(C#CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001610060621 1098534622 /nfs/dbraw/zinc/53/46/22/1098534622.db2.gz YCKBWCNPMBSJDC-UHFFFAOYSA-N -1 0 348.402 2.888 20 30 EFEDRM CCc1cccc2c1OC/C(=C/c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001610067039 1098537329 /nfs/dbraw/zinc/53/73/29/1098537329.db2.gz HIJNLXWXKJRPRS-WQLSENKSSA-N -1 0 326.352 2.648 20 30 EFEDRM CCc1noc(C)c1CON=C(C)c1ccc(OCC(=O)[O-])cc1 ZINC001610074566 1098540055 /nfs/dbraw/zinc/54/00/55/1098540055.db2.gz IPGFNBWMXLDHTC-UHFFFAOYSA-N -1 0 332.356 2.950 20 30 EFEDRM CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(C#N)c1 ZINC001610092808 1098545339 /nfs/dbraw/zinc/54/53/39/1098545339.db2.gz ONUMQQMENVQFBH-UHFFFAOYSA-N -1 0 333.347 2.874 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccccc1[S-] ZINC001269957248 1098546888 /nfs/dbraw/zinc/54/68/88/1098546888.db2.gz RBVCXXKXUVWKHS-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccccc1[S-])CC2 ZINC001269956773 1098547024 /nfs/dbraw/zinc/54/70/24/1098547024.db2.gz LCXKWAFUYMEFBK-CQSZACIVSA-N -1 0 330.453 2.520 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001610105118 1098548442 /nfs/dbraw/zinc/54/84/42/1098548442.db2.gz SLADZZUTPNSTEO-QGZVFWFLSA-N -1 0 343.427 2.778 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC(CC#N)CC1 ZINC001610105994 1098548487 /nfs/dbraw/zinc/54/84/87/1098548487.db2.gz PKNAXYRAZLPUIO-UHFFFAOYSA-N -1 0 330.388 2.608 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1CCC(C#N)CC1 ZINC001610104313 1098548925 /nfs/dbraw/zinc/54/89/25/1098548925.db2.gz GGCLWKSSRNGFBE-UHFFFAOYSA-N -1 0 344.415 2.902 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001610111067 1098550319 /nfs/dbraw/zinc/55/03/19/1098550319.db2.gz VMVNHECBEHAQPD-UHFFFAOYSA-N -1 0 341.314 3.000 20 30 EFEDRM CN(CCO)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001610118735 1098552635 /nfs/dbraw/zinc/55/26/35/1098552635.db2.gz UKZVJYNWIFAQSF-UHFFFAOYSA-N -1 0 347.802 2.913 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)c(C#N)n1 ZINC001610124218 1098553776 /nfs/dbraw/zinc/55/37/76/1098553776.db2.gz XWDYESAMXTUADZ-UHFFFAOYSA-N -1 0 331.759 2.706 20 30 EFEDRM COC(=O)c1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001610217779 1098576341 /nfs/dbraw/zinc/57/63/41/1098576341.db2.gz JWKDLUHGMZYHKS-BJMVGYQFSA-N -1 0 340.331 2.833 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC001610260235 1098590800 /nfs/dbraw/zinc/59/08/00/1098590800.db2.gz NHXRUCUMPXUCTF-UHFFFAOYSA-N -1 0 344.392 2.607 20 30 EFEDRM COCCOc1ccccc1CN=Nc1cccc(F)c1C(=O)[O-] ZINC001610264972 1098593075 /nfs/dbraw/zinc/59/30/75/1098593075.db2.gz VCMKHSUGTSOJOA-UHFFFAOYSA-N -1 0 332.331 2.995 20 30 EFEDRM COc1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])cc(OC)c1OC ZINC001610278838 1098598643 /nfs/dbraw/zinc/59/86/43/1098598643.db2.gz KINPHQHCFZIODI-PLNGDYQASA-N -1 0 332.308 2.900 20 30 EFEDRM COc1cc(C#N)ccc1OCCSCc1cccc(C(=O)[O-])n1 ZINC001610279214 1098599585 /nfs/dbraw/zinc/59/95/85/1098599585.db2.gz AJROABILKAXXHS-UHFFFAOYSA-N -1 0 344.392 2.972 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ncc(C#N)cc1C ZINC001610294479 1098605826 /nfs/dbraw/zinc/60/58/26/1098605826.db2.gz JSQLIXIKKKXYGH-GQCTYLIASA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(OC(=O)CSc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001610303334 1098612198 /nfs/dbraw/zinc/61/21/98/1098612198.db2.gz RRZXSUNJFQCENH-UHFFFAOYSA-N -1 0 343.360 2.963 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1NC(C)=O ZINC001610311623 1098615106 /nfs/dbraw/zinc/61/51/06/1098615106.db2.gz FSBWGIGFPYLUSA-GQCTYLIASA-N -1 0 342.351 2.586 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C(=O)[O-])cc1 ZINC001610325049 1098621456 /nfs/dbraw/zinc/62/14/56/1098621456.db2.gz MAPGNRCCNGSFJT-OAHLLOKOSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc2[nH]cc(C(=O)/C=C/c3c(C)n(C)nc3C(=O)[O-])c2c1 ZINC001610349117 1098631513 /nfs/dbraw/zinc/63/15/13/1098631513.db2.gz OUXKXDMWRMOUEH-FNORWQNLSA-N -1 0 339.351 2.813 20 30 EFEDRM COc1cccc(/C=N\[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1O ZINC001610355239 1098635638 /nfs/dbraw/zinc/63/56/38/1098635638.db2.gz KTFOGJDXSIZIDP-QZPXRHMKSA-N -1 0 338.363 2.997 20 30 EFEDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(C#N)cs2)c1 ZINC001610356686 1098637387 /nfs/dbraw/zinc/63/73/87/1098637387.db2.gz MKOHMNCZSPNYLD-QGZVFWFLSA-N -1 0 344.392 2.748 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C2(C#N)CCCCC2)c(C)c1C(=O)[O-] ZINC001610396560 1098654313 /nfs/dbraw/zinc/65/43/13/1098654313.db2.gz CBRZIIKBOBRXNG-LBPRGKRZSA-N -1 0 346.383 2.918 20 30 EFEDRM Cc1[nH]c(C2=NNC(=Nc3ccccn3)S[C@H]2C)c(C)c1C(=O)[O-] ZINC001610404013 1098657486 /nfs/dbraw/zinc/65/74/86/1098657486.db2.gz HVEVOMMUHWVUSZ-JTQLQIEISA-N -1 0 343.412 2.841 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001610406977 1098661566 /nfs/dbraw/zinc/66/15/66/1098661566.db2.gz KJPCYTHAZLPRSK-NSHDSACASA-N -1 0 349.346 2.552 20 30 EFEDRM Cc1c2cc(C(=O)/C=C\c3cn(C)cn3)cnc2sc1C(=O)[O-] ZINC001610414338 1098666272 /nfs/dbraw/zinc/66/62/72/1098666272.db2.gz UMSVIJUKBGOMKN-ARJAWSKDSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1c(NC(=O)N(C[C@H](C)C#N)C2CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419238 1098667025 /nfs/dbraw/zinc/66/70/25/1098667025.db2.gz KAZRBWWDZOOHPK-SECBINFHSA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)c2ccc(C#N)cc2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610425952 1098670650 /nfs/dbraw/zinc/67/06/50/1098670650.db2.gz WQXDTQYNTVNUMZ-UHFFFAOYSA-N -1 0 325.280 2.725 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001610443471 1098680627 /nfs/dbraw/zinc/68/06/27/1098680627.db2.gz KQIAEVRKAZIOOZ-KRWDZBQOSA-N -1 0 338.363 2.986 20 30 EFEDRM Cc1cc(COC(=O)c2cccc(OCC(=O)[O-])c2)ccc1C#N ZINC001610461688 1098693320 /nfs/dbraw/zinc/69/33/20/1098693320.db2.gz OVNCTGPUXUVTIA-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001610485813 1098704744 /nfs/dbraw/zinc/70/47/44/1098704744.db2.gz OCNSYZIKWUYADL-NSHDSACASA-N -1 0 340.335 2.677 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC001610491699 1098710341 /nfs/dbraw/zinc/71/03/41/1098710341.db2.gz GYPPOGQZBMTSKE-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1ccc(C[C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001610497583 1098714802 /nfs/dbraw/zinc/71/48/02/1098714802.db2.gz LTGBNNOAIWIAPW-HNNXBMFYSA-N -1 0 343.427 2.634 20 30 EFEDRM Cc1nc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccc1C#N ZINC001610552178 1098747441 /nfs/dbraw/zinc/74/74/41/1098747441.db2.gz NVNACBUFLQZIED-UHFFFAOYSA-N -1 0 328.353 2.546 20 30 EFEDRM Cc1nc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC001610554867 1098750158 /nfs/dbraw/zinc/75/01/58/1098750158.db2.gz MPFGFBAUDUIBPS-HNNXBMFYSA-N -1 0 326.356 2.675 20 30 EFEDRM Cc1nc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)ccc1C#N ZINC001610557878 1098753005 /nfs/dbraw/zinc/75/30/05/1098753005.db2.gz PSIXKWXIWGBXTH-LSDHHAIUSA-N -1 0 343.333 2.845 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)cc(C#N)c1 ZINC001610579215 1098765986 /nfs/dbraw/zinc/76/59/86/1098765986.db2.gz MLOWIGHINUCEFR-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cn1c(=O)sc2cc(C=NNc3cccc(F)c3C(=O)[O-])ccc21 ZINC001610594875 1098775737 /nfs/dbraw/zinc/77/57/37/1098775737.db2.gz SZDKNYWWRVHPPO-UHFFFAOYSA-N -1 0 345.355 2.883 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001610617388 1098785650 /nfs/dbraw/zinc/78/56/50/1098785650.db2.gz AKQNVNIYEOFGLB-UHFFFAOYSA-N -1 0 344.264 2.675 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610618726 1098786580 /nfs/dbraw/zinc/78/65/80/1098786580.db2.gz IUAFNUGVJPVEFI-DLBZAZTESA-N -1 0 341.436 2.756 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC001610621910 1098787110 /nfs/dbraw/zinc/78/71/10/1098787110.db2.gz ZXIFUPFZGZZNBI-HOCLYGCPSA-N -1 0 339.395 2.928 20 30 EFEDRM N#C[C@@]1(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)CC12CCCC2 ZINC001610619603 1098787197 /nfs/dbraw/zinc/78/71/97/1098787197.db2.gz MOLONRFOBGCVFQ-GOSISDBHSA-N -1 0 339.351 2.550 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc2)CC1 ZINC001610619809 1098787253 /nfs/dbraw/zinc/78/72/53/1098787253.db2.gz BMXSKSOWCCGPLV-GOSISDBHSA-N -1 0 346.386 2.893 20 30 EFEDRM N#Cc1c(CNc2ccc(N3CCCC3=O)cc2)cccc1C(=O)[O-] ZINC001610622935 1098787941 /nfs/dbraw/zinc/78/79/41/1098787941.db2.gz GCEHFOXXFUPSRX-UHFFFAOYSA-N -1 0 335.363 2.995 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001610620767 1098788062 /nfs/dbraw/zinc/78/80/62/1098788062.db2.gz NJOBHAYMXQWTRU-AWEZNQCLSA-N -1 0 344.348 2.583 20 30 EFEDRM N#CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001610620771 1098788120 /nfs/dbraw/zinc/78/81/20/1098788120.db2.gz NJOBHAYMXQWTRU-CQSZACIVSA-N -1 0 344.348 2.583 20 30 EFEDRM N#CCCC[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccccc1 ZINC001610621727 1098788394 /nfs/dbraw/zinc/78/83/94/1098788394.db2.gz QEFIGFLMBZXBRQ-CQSZACIVSA-N -1 0 341.371 2.524 20 30 EFEDRM N#CCc1ccc(C(=O)OCCOc2ccccc2C(=O)[O-])cc1 ZINC001610624479 1098789476 /nfs/dbraw/zinc/78/94/76/1098789476.db2.gz QCRYXILPFRKGAW-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC001610623845 1098789593 /nfs/dbraw/zinc/78/95/93/1098789593.db2.gz BAVQAHJGJXDXLU-CQSZACIVSA-N -1 0 346.289 2.642 20 30 EFEDRM N#Cc1c(COc2c(Cl)cncc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001610624773 1098789636 /nfs/dbraw/zinc/78/96/36/1098789636.db2.gz FJLALOHSYIUAKY-UHFFFAOYSA-N -1 0 333.687 2.792 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC001610626119 1098790836 /nfs/dbraw/zinc/79/08/36/1098790836.db2.gz NLGHHZKVJSNJCZ-GFCCVEGCSA-N -1 0 348.280 2.574 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)nc1Cl ZINC001610626039 1098791185 /nfs/dbraw/zinc/79/11/85/1098791185.db2.gz AVGWWPOJDSLKPE-UHFFFAOYSA-N -1 0 327.727 2.508 20 30 EFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001610627224 1098792157 /nfs/dbraw/zinc/79/21/57/1098792157.db2.gz CBGIJMARNVPROU-CQSZACIVSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(CSCC(=O)OCc2nc(C(=O)[O-])cs2)cc1 ZINC001610627156 1098792208 /nfs/dbraw/zinc/79/22/08/1098792208.db2.gz OVIRMYMSQMTKCL-UHFFFAOYSA-N -1 0 348.405 2.690 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001610627903 1098792389 /nfs/dbraw/zinc/79/23/89/1098792389.db2.gz UQACJKWZEHTVGN-CYBMUJFWSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC001610626973 1098792503 /nfs/dbraw/zinc/79/25/03/1098792503.db2.gz DPBWAKJSXWZTGR-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccc(Br)c(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001610626782 1098792957 /nfs/dbraw/zinc/79/29/57/1098792957.db2.gz UKSMPJJEMZDVPK-UHFFFAOYSA-N -1 0 348.200 2.511 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001610627223 1098793034 /nfs/dbraw/zinc/79/30/34/1098793034.db2.gz CBGIJMARNVPROU-AWEZNQCLSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001610628680 1098793489 /nfs/dbraw/zinc/79/34/89/1098793489.db2.gz BRUBEVXDATWQIU-UHFFFAOYSA-N -1 0 345.742 2.666 20 30 EFEDRM N#Cc1cccc(C#N)c1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001610629740 1098794414 /nfs/dbraw/zinc/79/44/14/1098794414.db2.gz BAQPSEVJFVCROA-UHFFFAOYSA-N -1 0 338.392 2.516 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001610631597 1098795395 /nfs/dbraw/zinc/79/53/95/1098795395.db2.gz SOSPLDKUPPMJHB-UHFFFAOYSA-N -1 0 347.421 2.763 20 30 EFEDRM N#Cc1cccc(OCCCOC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001610632155 1098795729 /nfs/dbraw/zinc/79/57/29/1098795729.db2.gz FNAATKOTYLLIOX-UHFFFAOYSA-N -1 0 339.347 2.811 20 30 EFEDRM N#Cc1ccccc1OCc1nnc(-c2ccc(C(=O)[O-])s2)o1 ZINC001610632933 1098795761 /nfs/dbraw/zinc/79/57/61/1098795761.db2.gz LXZRXKUGNXJJNC-UHFFFAOYSA-N -1 0 327.321 2.947 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cnn(-c3ccccc3)c2)C(=O)[O-])c1 ZINC001610631469 1098795794 /nfs/dbraw/zinc/79/57/94/1098795794.db2.gz CCJZTPSGSFDKNR-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001610631493 1098796300 /nfs/dbraw/zinc/79/63/00/1098796300.db2.gz CUGZEBJAZOLCSB-LBPRGKRZSA-N -1 0 332.293 2.511 20 30 EFEDRM N#Cc1csc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001610634374 1098796930 /nfs/dbraw/zinc/79/69/30/1098796930.db2.gz ZGJQARIPUGRZEX-CQSZACIVSA-N -1 0 328.393 2.826 20 30 EFEDRM O=C([O-])c1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c[nH]1 ZINC001610686052 1098827976 /nfs/dbraw/zinc/82/79/76/1098827976.db2.gz FJVOKBOQZCUIOT-UHFFFAOYSA-N -1 0 336.269 2.513 20 30 EFEDRM O=C([O-])C[C@H]1CCCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001610760620 1098871875 /nfs/dbraw/zinc/87/18/75/1098871875.db2.gz XPGMZYJIPHUXEL-CYBMUJFWSA-N -1 0 325.286 2.523 20 30 EFEDRM O=C([O-])[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001610804482 1098899300 /nfs/dbraw/zinc/89/93/00/1098899300.db2.gz SJXFEOMJKCIVJN-ZDUSSCGKSA-N -1 0 327.302 2.733 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC001610835686 1098923493 /nfs/dbraw/zinc/92/34/93/1098923493.db2.gz RJVOPEGFWIQLNB-UHFFFAOYSA-N -1 0 343.358 2.807 20 30 EFEDRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC001611454172 1099012403 /nfs/dbraw/zinc/01/24/03/1099012403.db2.gz OWKOZGIMXFLMLI-UHFFFAOYSA-N -1 0 349.350 2.663 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC001625896304 1099384564 /nfs/dbraw/zinc/38/45/64/1099384564.db2.gz GWHTYPNJLKXERJ-UHFFFAOYSA-N -1 0 333.351 2.539 20 30 EFEDRM C=CCO[N-]C(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000837048580 1099451051 /nfs/dbraw/zinc/45/10/51/1099451051.db2.gz UWOVGLTTXZUVFA-CQSZACIVSA-N -1 0 339.233 2.820 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(O)cc3F)n2)c1 ZINC001622601503 1099528802 /nfs/dbraw/zinc/52/88/02/1099528802.db2.gz YBZHCAGYCZJGCC-UHFFFAOYSA-N -1 0 336.326 2.723 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC001624925963 1099749691 /nfs/dbraw/zinc/74/96/91/1099749691.db2.gz HGBCXWHJHAGIOF-UHFFFAOYSA-N -1 0 334.335 2.671 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC001627164667 1099964881 /nfs/dbraw/zinc/96/48/81/1099964881.db2.gz GMEZIKFEZAYBOM-JKSUJKDBSA-N -1 0 345.362 2.791 20 30 EFEDRM Cc1ccc(Oc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)nc2)cc1 ZINC001627863614 1100038946 /nfs/dbraw/zinc/03/89/46/1100038946.db2.gz NPUPKRXOWVCZIA-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000042234245 1100077973 /nfs/dbraw/zinc/07/79/73/1100077973.db2.gz XIUCBQHNOBGKTR-UHFFFAOYSA-N -1 0 334.353 2.873 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000042234497 1100078121 /nfs/dbraw/zinc/07/81/21/1100078121.db2.gz JSYDLRBWOFIHJL-UHFFFAOYSA-N -1 0 340.382 2.967 20 30 EFEDRM CCCc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1-c1ccccc1 ZINC001631395825 1100394077 /nfs/dbraw/zinc/39/40/77/1100394077.db2.gz IKRNXEJDOBVOEE-UHFFFAOYSA-N -1 0 345.366 2.544 20 30 EFEDRM N#Cc1ccc(OC2CN(C(=O)c3ncc4ccccc4c3O)C2)cc1 ZINC001638196752 1100840219 /nfs/dbraw/zinc/84/02/19/1100840219.db2.gz KLRAOEHYIFPZKL-UHFFFAOYSA-N -1 0 345.358 2.715 20 30 EFEDRM Cc1ccc(Oc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2)nc1 ZINC001639319176 1100938553 /nfs/dbraw/zinc/93/85/53/1100938553.db2.gz NNDYJOJXZWXSER-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(CC#N)c3)n2)cc1 ZINC001640867585 1101085411 /nfs/dbraw/zinc/08/54/11/1101085411.db2.gz DMFKUGDYUXUCIS-UHFFFAOYSA-N -1 0 348.362 2.905 20 30 EFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3n[nH]cc3C#N)n2)c1 ZINC001643356685 1101293139 /nfs/dbraw/zinc/29/31/39/1101293139.db2.gz LDUMCODZENPKRN-UHFFFAOYSA-N -1 0 336.355 2.548 20 30 EFEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000066229651 1101385951 /nfs/dbraw/zinc/38/59/51/1101385951.db2.gz DHNSRTLQVWTHKX-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM O=S(=O)([N-]c1nccs1)c1ccc(NN=Cc2ccco2)cc1 ZINC000748085720 1101531405 /nfs/dbraw/zinc/53/14/05/1101531405.db2.gz MQMZHEAXAMBOOS-UHFFFAOYSA-N -1 0 348.409 2.983 20 30 EFEDRM CC[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000796676414 1102092433 /nfs/dbraw/zinc/09/24/33/1102092433.db2.gz GNSDZJYFIUDXHZ-JKSUJKDBSA-N -1 0 334.441 2.721 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001210147222 1102309120 /nfs/dbraw/zinc/30/91/20/1102309120.db2.gz ULBABYSINYOMOE-UHFFFAOYSA-N -1 0 343.195 2.643 20 30 EFEDRM CC(C)(C#N)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001143401047 1102403406 /nfs/dbraw/zinc/40/34/06/1102403406.db2.gz CAALJRDQNXEQJG-UHFFFAOYSA-N -1 0 334.331 2.656 20 30 EFEDRM C[C@@H](NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1)C(F)(F)F ZINC000835000525 1102519617 /nfs/dbraw/zinc/51/96/17/1102519617.db2.gz KFFSFRRHUXCNPI-SSDOTTSWSA-N -1 0 326.221 2.617 20 30 EFEDRM CCOC(=O)C(C)(C)ON=C(CC)c1cc(C(=O)[O-])ccc1F ZINC000835005235 1102548298 /nfs/dbraw/zinc/54/82/98/1102548298.db2.gz UDZNSTOUOYVLMR-UHFFFAOYSA-N -1 0 325.336 2.996 20 30 EFEDRM COc1ccccc1NC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000748131140 1102672744 /nfs/dbraw/zinc/67/27/44/1102672744.db2.gz GQFFBAJCJQSEJR-UHFFFAOYSA-N -1 0 346.368 2.630 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cnn(C)c1C ZINC000796715834 1102685059 /nfs/dbraw/zinc/68/50/59/1102685059.db2.gz UHELHLJHTIJISK-HNNXBMFYSA-N -1 0 334.379 2.653 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1[O-] ZINC000748134256 1102700822 /nfs/dbraw/zinc/70/08/22/1102700822.db2.gz UXFMJAQVFAZXQK-UHFFFAOYSA-N -1 0 333.254 2.901 20 30 EFEDRM CCOCc1nc(C)cc(N=NC(C)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000905500716 1103243847 /nfs/dbraw/zinc/24/38/47/1103243847.db2.gz CREUQKYIFPVWHR-UHFFFAOYSA-N -1 0 346.362 2.995 20 30 EFEDRM C[C@]1(CS(=O)(=O)[N-]c2sccc2C#N)CC1(Cl)Cl ZINC000906069505 1103879751 /nfs/dbraw/zinc/87/97/51/1103879751.db2.gz WRZUAIWPNWRMER-SECBINFHSA-N -1 0 325.242 2.945 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)CCOCC2CC2)c1C#N ZINC000906072912 1103903577 /nfs/dbraw/zinc/90/35/77/1103903577.db2.gz MTMKAXNOIDHJOW-UHFFFAOYSA-N -1 0 328.459 2.659 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccccc3)sc2C1 ZINC000906075981 1103906554 /nfs/dbraw/zinc/90/65/54/1103906554.db2.gz RYIIWOFFWZAUIF-NSHDSACASA-N -1 0 348.449 2.924 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)sn1 ZINC000906075486 1103906868 /nfs/dbraw/zinc/90/68/68/1103906868.db2.gz ZOJSQAAUAVIEKL-UHFFFAOYSA-N -1 0 325.440 2.674 20 30 EFEDRM CC1(C)C(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000080250296 1104544716 /nfs/dbraw/zinc/54/47/16/1104544716.db2.gz YECYVLYNGBLRGH-UHFFFAOYSA-N -1 0 326.374 2.922 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1O ZINC000008322916 1105000695 /nfs/dbraw/zinc/00/06/95/1105000695.db2.gz HLKMEWKCIDCUBF-FNORWQNLSA-N -1 0 328.320 2.760 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC001126760567 1105221344 /nfs/dbraw/zinc/22/13/44/1105221344.db2.gz VFBVAQYQIFDAJM-UHFFFAOYSA-N -1 0 335.367 2.604 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000729818546 1105296237 /nfs/dbraw/zinc/29/62/37/1105296237.db2.gz XDUXHUXOYCITFR-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)CC1 ZINC000897757146 1106073866 /nfs/dbraw/zinc/07/38/66/1106073866.db2.gz WTQBLMBTKJOMNT-OLZOCXBDSA-N -1 0 331.416 2.613 20 30 EFEDRM C=C1CCC(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)CC1 ZINC000897757147 1106073997 /nfs/dbraw/zinc/07/39/97/1106073997.db2.gz WTQBLMBTKJOMNT-QWHCGFSZSA-N -1 0 331.416 2.613 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cccc([S-])c3)C2)C1=O ZINC001272380160 1108131124 /nfs/dbraw/zinc/13/11/24/1108131124.db2.gz TVLZUIROCBKSMR-SFHVURJKSA-N -1 0 330.453 2.616 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc([S-])c1 ZINC001272380854 1108133694 /nfs/dbraw/zinc/13/36/94/1108133694.db2.gz YYCCVTZIFQSRTF-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2cn3c(n2)CCCC3)c1)C(=O)[O-] ZINC000905074395 1108396181 /nfs/dbraw/zinc/39/61/81/1108396181.db2.gz NTILOYQGKDESHK-XEHSLEBBSA-N -1 0 340.379 2.967 20 30 EFEDRM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000176407830 1108458189 /nfs/dbraw/zinc/45/81/89/1108458189.db2.gz NRVBNQKGXBNAMG-SFHVURJKSA-N -1 0 349.390 2.738 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2csc(-c3cccnc3)n2)c1 ZINC000176405586 1108459997 /nfs/dbraw/zinc/45/99/97/1108459997.db2.gz POONVVBJQNIMAD-UHFFFAOYSA-N -1 0 336.376 2.964 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3[O-])CC2)C1=O ZINC001272235314 1109197866 /nfs/dbraw/zinc/19/78/66/1109197866.db2.gz XWCGBNQSUSILBH-IBGZPJMESA-N -1 0 346.402 2.562 20 30 EFEDRM CCn1cc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c(C)n1 ZINC000899342870 1109293595 /nfs/dbraw/zinc/29/35/95/1109293595.db2.gz IAYXBPORBKASPX-FNORWQNLSA-N -1 0 328.368 2.743 20 30 EFEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])nn1C)CO2 ZINC000899348877 1109296227 /nfs/dbraw/zinc/29/62/27/1109296227.db2.gz NUPIVFPWGPYGLE-XFFZJAGNSA-N -1 0 342.351 2.566 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c1)C(=O)[O-] ZINC000899350631 1109296570 /nfs/dbraw/zinc/29/65/70/1109296570.db2.gz KCYHTGOPZOLOLM-BZYZDCJZSA-N -1 0 340.379 2.657 20 30 EFEDRM C#CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])cc1 ZINC000899772745 1109474388 /nfs/dbraw/zinc/47/43/88/1109474388.db2.gz WJZKJWINEUCBMY-HAELCTKSSA-N -1 0 325.364 2.550 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899783033 1109476819 /nfs/dbraw/zinc/47/68/19/1109476819.db2.gz SPNHTCVTEYELGK-RYRKJORJSA-N -1 0 331.412 2.651 20 30 EFEDRM Cc1ccc([C@H](CC(=O)NCCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000899793462 1109492654 /nfs/dbraw/zinc/49/26/54/1109492654.db2.gz ZPERTDSOYLQQIB-SFHVURJKSA-N -1 0 336.391 2.784 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000842329843 1109498379 /nfs/dbraw/zinc/49/83/79/1109498379.db2.gz PNUNBOWPUWBRQH-UHFFFAOYSA-N -1 0 341.458 2.554 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176523704 1111092701 /nfs/dbraw/zinc/09/27/01/1111092701.db2.gz MENZRPULFAGAKF-AWEZNQCLSA-N -1 0 342.351 2.547 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000916763163 1111981069 /nfs/dbraw/zinc/98/10/69/1111981069.db2.gz QOJBGUMLKBJUOC-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000916872266 1111993390 /nfs/dbraw/zinc/99/33/90/1111993390.db2.gz HOPFQYWHMVMYFW-KRWDZBQOSA-N -1 0 346.427 2.728 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2Cl)on1 ZINC000916871299 1111993439 /nfs/dbraw/zinc/99/34/39/1111993439.db2.gz KQSCDNKRJDTDHY-LBPRGKRZSA-N -1 0 343.770 2.940 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2o1 ZINC000916872411 1111993576 /nfs/dbraw/zinc/99/35/76/1111993576.db2.gz JLDVTZWZOLUHRP-AWEZNQCLSA-N -1 0 328.368 2.687 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(OC)c1)O[C@@H](C)C2 ZINC000916877291 1111994020 /nfs/dbraw/zinc/99/40/20/1111994020.db2.gz PUHFAOZXCPATHJ-WFASDCNBSA-N -1 0 344.411 2.647 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916885681 1111994370 /nfs/dbraw/zinc/99/43/70/1111994370.db2.gz AIABLZHMGOCFMN-CYBMUJFWSA-N -1 0 347.296 2.739 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000916922690 1111998126 /nfs/dbraw/zinc/99/81/26/1111998126.db2.gz ZSEXFFOELZAPKE-NSHDSACASA-N -1 0 329.381 2.645 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916927328 1111999158 /nfs/dbraw/zinc/99/91/58/1111999158.db2.gz RFUUNSSZHLHAHT-CYBMUJFWSA-N -1 0 338.388 2.909 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)o2)cc1 ZINC000916927293 1111999340 /nfs/dbraw/zinc/99/93/40/1111999340.db2.gz PWHGWTNBXLNIDE-OAHLLOKOSA-N -1 0 336.347 2.750 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cscc2C)cc1 ZINC000175117494 1112383973 /nfs/dbraw/zinc/38/39/73/1112383973.db2.gz ZSUMUTXCCQIZLC-OAHLLOKOSA-N -1 0 342.420 2.747 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183133329 1118704374 /nfs/dbraw/zinc/70/43/74/1118704374.db2.gz WKPXTBPXJJAVIM-NSHDSACASA-N -1 0 347.352 2.686 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Br)cs1 ZINC000194590163 1119490781 /nfs/dbraw/zinc/49/07/81/1119490781.db2.gz VIFOPAIAQVIUPU-SNVBAGLBSA-N -1 0 341.230 2.892 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(O)c(F)c1F ZINC001272725162 1119539161 /nfs/dbraw/zinc/53/91/61/1119539161.db2.gz XJJKRJMYPVYLSO-SFHVURJKSA-N -1 0 336.382 2.813 20 30 EFEDRM C#C[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000185374499 1120081809 /nfs/dbraw/zinc/08/18/09/1120081809.db2.gz OFQSAFAMJASLIS-AWEZNQCLSA-N -1 0 342.420 2.547 20 30 EFEDRM CCC(CC)(CNC(=O)NC1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000424436399 282099044 /nfs/dbraw/zinc/09/90/44/282099044.db2.gz WTNDXQWDDJYTOD-UHFFFAOYSA-N -1 0 329.400 2.738 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000055580029 214331949 /nfs/dbraw/zinc/33/19/49/214331949.db2.gz RSYPDDHHVIJMGB-UHFFFAOYSA-N -1 0 341.388 2.656 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1OC ZINC000026528471 202144982 /nfs/dbraw/zinc/14/49/82/202144982.db2.gz WMWAGQVYQWFCFX-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000027490218 202154860 /nfs/dbraw/zinc/15/48/60/202154860.db2.gz UGXBPCAVTMUXRD-UHFFFAOYSA-N -1 0 340.744 2.942 20 30 EFEDRM CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cn1C ZINC000414443594 535379740 /nfs/dbraw/zinc/37/97/40/535379740.db2.gz NXJNVMUSHNKPJR-UHFFFAOYSA-N -1 0 338.820 2.869 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262444995 240354669 /nfs/dbraw/zinc/35/46/69/240354669.db2.gz DCGCKYAYEDYDOJ-UHFFFAOYSA-N -1 0 331.372 2.578 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2cccc(CC#N)c2)C(=O)[O-])c1 ZINC000262496064 240356217 /nfs/dbraw/zinc/35/62/17/240356217.db2.gz MUZUERINQMBGIW-GOSISDBHSA-N -1 0 336.391 2.734 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000071919655 202365074 /nfs/dbraw/zinc/36/50/74/202365074.db2.gz CYHCVWUWEONNJR-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000075572938 202381270 /nfs/dbraw/zinc/38/12/70/202381270.db2.gz KHSFKLVMJCIGDR-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055640027 238766793 /nfs/dbraw/zinc/76/67/93/238766793.db2.gz KGTGDWGSJFASOG-UHFFFAOYSA-N -1 0 335.385 2.775 20 30 EFEDRM C[C@@H](NC(=O)CC#N)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000357628854 296042231 /nfs/dbraw/zinc/04/22/31/296042231.db2.gz CBUPAUNWOYZDFD-LLVKDONJSA-N -1 0 349.437 2.640 20 30 EFEDRM C=CCOc1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261790383 201198325 /nfs/dbraw/zinc/19/83/25/201198325.db2.gz YWDGGQCXFDWNSQ-OAHLLOKOSA-N -1 0 343.301 2.731 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@](C)(CCC)C(=O)[O-])cc(OC)c1OC ZINC000262242308 201203313 /nfs/dbraw/zinc/20/33/13/201203313.db2.gz QOHJNYNACOOVCQ-SFHVURJKSA-N -1 0 335.400 2.806 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000262442362 201204589 /nfs/dbraw/zinc/20/45/89/201204589.db2.gz NZZQQQWEFBMVMI-CQSZACIVSA-N -1 0 345.395 2.587 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1OC ZINC000263010087 201205477 /nfs/dbraw/zinc/20/54/77/201205477.db2.gz PNMPIEDNEXYZBU-VBQJREDUSA-N -1 0 345.395 2.585 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000262813338 201205781 /nfs/dbraw/zinc/20/57/81/201205781.db2.gz DOXACWILWZJZTL-IBGZPJMESA-N -1 0 347.411 2.833 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000263019463 201205971 /nfs/dbraw/zinc/20/59/71/201205971.db2.gz XYTYLBFUJURPRS-DNVCBOLYSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1OC ZINC000263178378 201207433 /nfs/dbraw/zinc/20/74/33/201207433.db2.gz ZIZAODRJHRQSHZ-TZMCWYRMSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@H](CCC)C(=O)[O-])cc(OC)c1OC ZINC000263227291 201207501 /nfs/dbraw/zinc/20/75/01/201207501.db2.gz RPLRRAAXBKJHLZ-ZDUSSCGKSA-N -1 0 335.400 2.663 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000263406823 201207599 /nfs/dbraw/zinc/20/75/99/201207599.db2.gz GHDCTTUPIFCYQQ-SFHVURJKSA-N -1 0 333.384 2.512 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)OCC ZINC000270054956 201235779 /nfs/dbraw/zinc/23/57/79/201235779.db2.gz SDQORWFVXTWXGR-GFCCVEGCSA-N -1 0 335.429 2.727 20 30 EFEDRM C=CCOc1ccc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000277352369 201301616 /nfs/dbraw/zinc/30/16/16/201301616.db2.gz AAXYPJHUGJIBJS-UHFFFAOYSA-N -1 0 345.317 2.752 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000279179165 201314309 /nfs/dbraw/zinc/31/43/09/201314309.db2.gz SEFAUUKVRYERNG-UHFFFAOYSA-N -1 0 335.766 2.677 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000174025181 239215966 /nfs/dbraw/zinc/21/59/66/239215966.db2.gz XNJHVMHIUVFCMW-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000176601122 239329769 /nfs/dbraw/zinc/32/97/69/239329769.db2.gz VCJWRVQVJPNZOF-SECBINFHSA-N -1 0 328.488 2.881 20 30 EFEDRM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058421348 202766918 /nfs/dbraw/zinc/76/69/18/202766918.db2.gz OFCBODRJXMPBHQ-APPZFPTMSA-N -1 0 332.303 2.878 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000193029562 240081569 /nfs/dbraw/zinc/08/15/69/240081569.db2.gz PHHDVDPFASRZCA-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc12 ZINC000193623336 240118081 /nfs/dbraw/zinc/11/80/81/240118081.db2.gz NKKDDNOQTJNVHM-CYBMUJFWSA-N -1 0 331.335 2.908 20 30 EFEDRM C=CCN(CC=C)C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000193319027 240094889 /nfs/dbraw/zinc/09/48/89/240094889.db2.gz QKBJQVZGDYTDHQ-UHFFFAOYSA-N -1 0 328.821 2.526 20 30 EFEDRM C=CCN(CCOC)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194597898 240165028 /nfs/dbraw/zinc/16/50/28/240165028.db2.gz UWSQSXYKJUFYTE-UHFFFAOYSA-N -1 0 335.791 2.506 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2c(F)cccc2F)n1 ZINC000194623705 240167721 /nfs/dbraw/zinc/16/77/21/240167721.db2.gz IFUIKGXSUWKQHW-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194758894 240178217 /nfs/dbraw/zinc/17/82/17/240178217.db2.gz XJAXZRKBHCBFGU-UHFFFAOYSA-N -1 0 342.783 2.509 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000238002419 240249204 /nfs/dbraw/zinc/24/92/04/240249204.db2.gz JYBWUERWLVWGLZ-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM C=CCOc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)c1 ZINC000195503768 240228382 /nfs/dbraw/zinc/22/83/82/240228382.db2.gz KULNSXFCHRPVHS-VQHVLOKHSA-N -1 0 340.379 2.831 20 30 EFEDRM COCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000193613685 240232543 /nfs/dbraw/zinc/23/25/43/240232543.db2.gz XUGUPGZFBQNZCS-ZRDIBKRKSA-N -1 0 325.368 2.536 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237270850 240240239 /nfs/dbraw/zinc/24/02/39/240240239.db2.gz RMLZCFBICUFLGA-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1OC ZINC000262129129 240341362 /nfs/dbraw/zinc/34/13/62/240341362.db2.gz HZDJUYKVRKLKAU-AWEZNQCLSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl)C(=O)[O-] ZINC000262803872 240369975 /nfs/dbraw/zinc/36/99/75/240369975.db2.gz CWYRZFIMGMSMRJ-DGCLKSJQSA-N -1 0 325.792 2.951 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c(OC)c1 ZINC000262851103 240371646 /nfs/dbraw/zinc/37/16/46/240371646.db2.gz DPGROPFFJLVLMB-LJQANCHMSA-N -1 0 349.427 2.808 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC000262820151 240372329 /nfs/dbraw/zinc/37/23/29/240372329.db2.gz DYMXOCUGSXOVJC-LBPRGKRZSA-N -1 0 334.397 2.790 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000262873511 240372809 /nfs/dbraw/zinc/37/28/09/240372809.db2.gz JWZQCYUJWNLQEO-KRWDZBQOSA-N -1 0 341.411 2.567 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000262898769 240373349 /nfs/dbraw/zinc/37/33/49/240373349.db2.gz MDBFCJONPVQYSY-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262988813 240374159 /nfs/dbraw/zinc/37/41/59/240374159.db2.gz LGKBDHJSFMXOBM-RNCFNFMXSA-N -1 0 346.210 2.869 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262961970 240374259 /nfs/dbraw/zinc/37/42/59/240374259.db2.gz RVUYMZLRYJNNOH-ZWNOBZJWSA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000263000183 240374364 /nfs/dbraw/zinc/37/43/64/240374364.db2.gz MEPRMJJYUWCHSD-UKRRQHHQSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262918109 240374800 /nfs/dbraw/zinc/37/48/00/240374800.db2.gz FYHUFSIVSVYFQY-GXFFZTMASA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262960799 240374827 /nfs/dbraw/zinc/37/48/27/240374827.db2.gz RSVANJGWTNPZGB-NSHDSACASA-N -1 0 331.290 2.620 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC000262916255 240374913 /nfs/dbraw/zinc/37/49/13/240374913.db2.gz NPUGANQZWXUTIG-LLVKDONJSA-N -1 0 334.397 2.790 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC000262970811 240374945 /nfs/dbraw/zinc/37/49/45/240374945.db2.gz JXEZOHZLPMKLIG-PBHICJAKSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000262918111 240375341 /nfs/dbraw/zinc/37/53/41/240375341.db2.gz FYHUFSIVSVYFQY-ZWNOBZJWSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000262981368 240375548 /nfs/dbraw/zinc/37/55/48/240375548.db2.gz UKXLNIRSUUWJLK-CYBMUJFWSA-N -1 0 327.327 2.756 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000262969531 240375716 /nfs/dbraw/zinc/37/57/16/240375716.db2.gz JVVREAHTKXMNEO-KURKYZTESA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000262905560 240375729 /nfs/dbraw/zinc/37/57/29/240375729.db2.gz MRSJTRPLRJDQHF-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000263062978 240376462 /nfs/dbraw/zinc/37/64/62/240376462.db2.gz QSXVBCJSMRQPFV-GDBMZVCRSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(=O)[O-] ZINC000263022136 240376615 /nfs/dbraw/zinc/37/66/15/240376615.db2.gz YCSBHAUQZBWWKQ-LLVKDONJSA-N -1 0 335.429 2.907 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000263025252 240377560 /nfs/dbraw/zinc/37/75/60/240377560.db2.gz OCWXURYWEDXJMQ-SFHVURJKSA-N -1 0 341.407 2.935 20 30 EFEDRM C=CCC[C@H](NC(=O)CSc1nc2ccccc2s1)C(=O)[O-] ZINC000263029179 240377567 /nfs/dbraw/zinc/37/75/67/240377567.db2.gz YSPBRFOKWSSYKE-NSHDSACASA-N -1 0 336.438 2.924 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263067352 240377638 /nfs/dbraw/zinc/37/76/38/240377638.db2.gz RCEMTJLJCCDFMW-CYBMUJFWSA-N -1 0 345.317 2.567 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC000263040705 240377992 /nfs/dbraw/zinc/37/79/92/240377992.db2.gz PFCATXNHWOPKPL-MRXNPFEDSA-N -1 0 349.402 2.800 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263163751 240380832 /nfs/dbraw/zinc/38/08/32/240380832.db2.gz YDCISKSXNBSHQN-BBRMVZONSA-N -1 0 349.427 2.523 20 30 EFEDRM CN(CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(F)(F)F ZINC000264765974 240433812 /nfs/dbraw/zinc/43/38/12/240433812.db2.gz JXLHGHZYNSKBMG-UBKPWBPPSA-N -1 0 339.701 2.867 20 30 EFEDRM N#CCN1CCC[C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000267496952 240522960 /nfs/dbraw/zinc/52/29/60/240522960.db2.gz HPZSGEBMOZHODE-JTQLQIEISA-N -1 0 342.226 2.664 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000295483706 241053882 /nfs/dbraw/zinc/05/38/82/241053882.db2.gz JKPOIAOEIWJIRT-KRWDZBQOSA-N -1 0 348.424 2.598 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1 ZINC000298687544 241157233 /nfs/dbraw/zinc/15/72/33/241157233.db2.gz CDTRZUZBCUIMMW-NTEUORMPSA-N -1 0 346.408 2.653 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s[n-]1 ZINC000328760045 241238029 /nfs/dbraw/zinc/23/80/29/241238029.db2.gz XFFWMTORVQPYRN-HBNTYKKESA-N -1 0 336.461 2.541 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000340076626 241778378 /nfs/dbraw/zinc/77/83/78/241778378.db2.gz MJWJFRQWARBCBT-UHFFFAOYSA-N -1 0 330.409 2.712 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000352192140 241921383 /nfs/dbraw/zinc/92/13/83/241921383.db2.gz JWPQPPUQBHJYHX-UHFFFAOYSA-N -1 0 331.393 2.685 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccc(F)cc1F ZINC000354467147 242000199 /nfs/dbraw/zinc/00/01/99/242000199.db2.gz NUHDBAPUSYEVMF-LBPRGKRZSA-N -1 0 339.305 2.739 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000355877635 242050657 /nfs/dbraw/zinc/05/06/57/242050657.db2.gz DARJUWMZOCFUHM-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000356294169 242066801 /nfs/dbraw/zinc/06/68/01/242066801.db2.gz DKENPLNZSCZAJL-CQSZACIVSA-N -1 0 331.715 2.948 20 30 EFEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1 ZINC000356947178 242084472 /nfs/dbraw/zinc/08/44/72/242084472.db2.gz CYCUZWDAFTXMBC-UHFFFAOYSA-N -1 0 349.412 2.515 20 30 EFEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)sc2n1 ZINC000356430262 242070198 /nfs/dbraw/zinc/07/01/98/242070198.db2.gz DRAQVODUZLDOGU-SNVBAGLBSA-N -1 0 336.380 2.774 20 30 EFEDRM C=C(C)Cn1c(Cn2ccc3ccccc32)n[n-]c1=Nc1cnn(C)c1 ZINC000359252852 242145306 /nfs/dbraw/zinc/14/53/06/242145306.db2.gz MBYVXAQXOGOKOC-UHFFFAOYSA-N -1 0 347.426 2.756 20 30 EFEDRM Cn1cnc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cnc21 ZINC000362117531 242242578 /nfs/dbraw/zinc/24/25/78/242242578.db2.gz KJXBZNFLDJXEMT-LLVKDONJSA-N -1 0 345.284 2.872 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc12 ZINC000361531202 242226322 /nfs/dbraw/zinc/22/63/22/242226322.db2.gz PPESAXHTFCIHNZ-CYBMUJFWSA-N -1 0 342.362 2.710 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1F ZINC000362576398 242260477 /nfs/dbraw/zinc/26/04/77/242260477.db2.gz NJNAGYGEKAHALA-OAHLLOKOSA-N -1 0 336.326 2.712 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000365614529 242331651 /nfs/dbraw/zinc/33/16/51/242331651.db2.gz NNNUWUOTDGSCCL-KGLIPLIRSA-N -1 0 341.440 2.826 20 30 EFEDRM C#CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000367772663 242392414 /nfs/dbraw/zinc/39/24/14/242392414.db2.gz PILMDKBWCGXOPX-RBUKOAKNSA-N -1 0 349.386 2.639 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])oc2C)CCCC1 ZINC000414347104 244099378 /nfs/dbraw/zinc/09/93/78/244099378.db2.gz VNYVIRVLKRCPHA-UHFFFAOYSA-N -1 0 327.402 2.701 20 30 EFEDRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883915 203136837 /nfs/dbraw/zinc/13/68/37/203136837.db2.gz XJDCSORQOCPJKG-ZETCQYMHSA-N -1 0 343.298 2.915 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000416949486 244928489 /nfs/dbraw/zinc/92/84/89/244928489.db2.gz CYYRAKCCBIZDTF-SSDOTTSWSA-N -1 0 339.161 2.771 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000101927901 204026893 /nfs/dbraw/zinc/02/68/93/204026893.db2.gz UXQCVFZAXNODEW-CYBMUJFWSA-N -1 0 343.408 2.666 20 30 EFEDRM CCCOc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1OC ZINC000103279953 204072105 /nfs/dbraw/zinc/07/21/05/204072105.db2.gz MRBDOJZUUDFEEJ-SUQGKYDKSA-N -1 0 344.363 2.712 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000155868730 206040889 /nfs/dbraw/zinc/04/08/89/206040889.db2.gz ZHZAIWLPMMJASZ-WMZOPIPTSA-N -1 0 341.455 2.881 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000421803629 246122008 /nfs/dbraw/zinc/12/20/08/246122008.db2.gz ILZJTDPYZHRVER-WDEREUQCSA-N -1 0 334.372 2.552 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000421806710 246124479 /nfs/dbraw/zinc/12/44/79/246124479.db2.gz MLMGHYNNPVXPFR-VHSXEESVSA-N -1 0 336.413 2.705 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000156224663 206063268 /nfs/dbraw/zinc/06/32/68/206063268.db2.gz GJKKYUNAEJBRTN-LBPRGKRZSA-N -1 0 346.184 2.696 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000422534517 246379485 /nfs/dbraw/zinc/37/94/85/246379485.db2.gz AWUHMXNLTPPHNT-JQWIXIFHSA-N -1 0 335.791 2.981 20 30 EFEDRM Cc1cc(Sc2n[n-]c(=NCC(F)(F)F)s2)c(C#N)cn1 ZINC000425233987 247008843 /nfs/dbraw/zinc/00/88/43/247008843.db2.gz ZHYWVRUYSIXVNX-UHFFFAOYSA-N -1 0 331.348 2.661 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Br)c(C)s1)C(=O)[O-] ZINC000425248915 247015081 /nfs/dbraw/zinc/01/50/81/247015081.db2.gz CPLMVELUWDANLY-VIFPVBQESA-N -1 0 332.219 2.968 20 30 EFEDRM C=CCC1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CCOCC1 ZINC000425258106 247018344 /nfs/dbraw/zinc/01/83/44/247018344.db2.gz QRZRKYXFAGZTGD-IRXDYDNUSA-N -1 0 343.423 2.686 20 30 EFEDRM C=CCCn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1 ZINC000425314159 247039529 /nfs/dbraw/zinc/03/95/29/247039529.db2.gz CAUWOCDIRDATTE-LLVKDONJSA-N -1 0 335.289 2.758 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)C1 ZINC000425659625 247160247 /nfs/dbraw/zinc/16/02/47/247160247.db2.gz WKXVPZXNHPGZHF-WCQYABFASA-N -1 0 345.403 2.504 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1F ZINC000427313394 247336351 /nfs/dbraw/zinc/33/63/51/247336351.db2.gz DWMVHEUZFTUJFA-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427113946 247317306 /nfs/dbraw/zinc/31/73/06/247317306.db2.gz MGSKOANRUWFIHK-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427107949 247317394 /nfs/dbraw/zinc/31/73/94/247317394.db2.gz MGTNDMYQZYEOBD-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427122659 247320466 /nfs/dbraw/zinc/32/04/66/247320466.db2.gz RZPBDXGGAPOZQE-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427136679 247322203 /nfs/dbraw/zinc/32/22/03/247322203.db2.gz LVZCKMYCEYPVLB-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)cc1F ZINC000427797624 247395285 /nfs/dbraw/zinc/39/52/85/247395285.db2.gz LSQCYMCPKJULEE-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C#N)cc3C)noc2c1 ZINC000427793812 247396025 /nfs/dbraw/zinc/39/60/25/247396025.db2.gz POOFHVYQVKNDMU-UHFFFAOYSA-N -1 0 343.364 2.817 20 30 EFEDRM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427768184 247392995 /nfs/dbraw/zinc/39/29/95/247392995.db2.gz RBKWIHFHJWEEBP-UHFFFAOYSA-N -1 0 348.334 2.524 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])c(C)c3)nc1-2 ZINC000429597244 247659158 /nfs/dbraw/zinc/65/91/58/247659158.db2.gz KEPFARVBLYLENI-LBPRGKRZSA-N -1 0 335.323 2.973 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnnn2-c2cccc(F)c2)n1 ZINC000434616178 248169196 /nfs/dbraw/zinc/16/91/96/248169196.db2.gz OTXHCPPGUGEFIE-LBPRGKRZSA-N -1 0 327.344 2.661 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1C#N ZINC000435141004 248215559 /nfs/dbraw/zinc/21/55/59/248215559.db2.gz MFTVWQJLUYRILT-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM CCn1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435198002 248218286 /nfs/dbraw/zinc/21/82/86/248218286.db2.gz VYMQNXGYSRHXET-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)s1 ZINC000435496467 248245333 /nfs/dbraw/zinc/24/53/33/248245333.db2.gz KVDBUJFTXXCQCU-UHFFFAOYSA-N -1 0 332.406 2.940 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435476945 248245605 /nfs/dbraw/zinc/24/56/05/248245605.db2.gz KXIAWZSZFHBOAK-UHFFFAOYSA-N -1 0 337.382 2.946 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1CCC(C)C ZINC000435489390 248245739 /nfs/dbraw/zinc/24/57/39/248245739.db2.gz KEHAXKXHXWJHQD-UHFFFAOYSA-N -1 0 338.458 2.972 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435485655 248246105 /nfs/dbraw/zinc/24/61/05/248246105.db2.gz XRJRMRFMJVACTR-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435504765 248246941 /nfs/dbraw/zinc/24/69/41/248246941.db2.gz KNQIVPCJJYECPK-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM N#CC1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436858592 249616060 /nfs/dbraw/zinc/61/60/60/249616060.db2.gz PBQWWLRWIRUIBW-UHFFFAOYSA-N -1 0 327.153 2.670 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1 ZINC000167798941 206540875 /nfs/dbraw/zinc/54/08/75/206540875.db2.gz ZYJAWQWGOWJFOR-CQSZACIVSA-N -1 0 329.400 2.640 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc([N+](=O)[O-])c1OC ZINC000442607512 250090412 /nfs/dbraw/zinc/09/04/12/250090412.db2.gz SBQYMMJVNXRBRZ-SNVBAGLBSA-N -1 0 347.352 2.867 20 30 EFEDRM COc1cc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc(OC)c1OC ZINC000442674632 250100131 /nfs/dbraw/zinc/10/01/31/250100131.db2.gz WUAHFTDLSRGUNO-UHFFFAOYSA-N -1 0 342.351 2.566 20 30 EFEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(O)c1 ZINC000443529775 250205225 /nfs/dbraw/zinc/20/52/25/250205225.db2.gz MUFAZASKUIRESM-UHFFFAOYSA-N -1 0 331.397 2.757 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1OC ZINC000095956984 218464047 /nfs/dbraw/zinc/46/40/47/218464047.db2.gz CMIYKYADLAAKGN-UHFFFAOYSA-N -1 0 335.400 2.833 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1noc(Cc2ccc(F)cc2F)n1 ZINC000451090511 251441518 /nfs/dbraw/zinc/44/15/18/251441518.db2.gz PCGPMQKUCINTTL-UHFFFAOYSA-N -1 0 343.355 2.647 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C#N)c2)c1C ZINC000013078617 207280580 /nfs/dbraw/zinc/28/05/80/207280580.db2.gz LFZPCYZZVCVANQ-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000177300446 207317001 /nfs/dbraw/zinc/31/70/01/207317001.db2.gz ZKWONIGBUZOGGU-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000177300482 207319318 /nfs/dbraw/zinc/31/93/18/207319318.db2.gz OJHYXOUCGAVILJ-UHFFFAOYSA-N -1 0 332.429 2.927 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000452143808 251806547 /nfs/dbraw/zinc/80/65/47/251806547.db2.gz DHXTZSJSFMLZTF-UHFFFAOYSA-N -1 0 329.169 2.916 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000455878592 255624486 /nfs/dbraw/zinc/62/44/86/255624486.db2.gz OODXHNFGSQIQSV-MRXNPFEDSA-N -1 0 343.379 2.651 20 30 EFEDRM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000013459936 258056142 /nfs/dbraw/zinc/05/61/42/258056142.db2.gz ZBWDZGJJXMSPJA-BQYQJAHWSA-N -1 0 334.759 2.741 20 30 EFEDRM CC(=Cc1cncc(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339456 533412868 /nfs/dbraw/zinc/41/28/68/533412868.db2.gz UDIQJUIZPSGGMN-FPYGCLRLSA-N -1 0 331.173 2.668 20 30 EFEDRM COC(=O)c1coc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000270296621 292033011 /nfs/dbraw/zinc/03/30/11/292033011.db2.gz YAAVNKFJTLOMIG-UHFFFAOYSA-N -1 0 331.372 2.770 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354105382 146633664 /nfs/dbraw/zinc/63/36/64/146633664.db2.gz ABSORRKMLJXMKP-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000126440199 141367204 /nfs/dbraw/zinc/36/72/04/141367204.db2.gz KYXMXCVXUMYTPV-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000343166363 141948340 /nfs/dbraw/zinc/94/83/40/141948340.db2.gz ZCYZXMLTQLTTML-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cc1cc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2n(C)c1=O ZINC000345006164 142111030 /nfs/dbraw/zinc/11/10/30/142111030.db2.gz XOKXBBHQLAMDBB-UHFFFAOYSA-N -1 0 333.347 2.677 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)c1 ZINC000352217512 142448168 /nfs/dbraw/zinc/44/81/68/142448168.db2.gz PJIBSRDDRKPNDJ-UHFFFAOYSA-N -1 0 347.762 2.872 20 30 EFEDRM CCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nnn[n-]1 ZINC000342347972 145105995 /nfs/dbraw/zinc/10/59/95/145105995.db2.gz RSQOOQMEKKXRBO-LBPRGKRZSA-N -1 0 340.412 2.866 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)o1 ZINC000342453358 145129475 /nfs/dbraw/zinc/12/94/75/145129475.db2.gz SRXKMABWEIZPLK-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(/C=C\c3ccco3)s2)o1 ZINC000342468167 145132855 /nfs/dbraw/zinc/13/28/55/145132855.db2.gz YKTZHHIXELLLRJ-HYXAFXHYSA-N -1 0 348.365 2.567 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(Cc2ccccc2)n1 ZINC000342491338 145137586 /nfs/dbraw/zinc/13/75/86/145137586.db2.gz OCPXUFIGCROKFN-UHFFFAOYSA-N -1 0 342.380 2.505 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cscc2Br)[n-]1 ZINC000342515712 145141419 /nfs/dbraw/zinc/14/14/19/145141419.db2.gz LCZRJSIQQDZIRR-UHFFFAOYSA-N -1 0 339.218 2.834 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C2CCC(OC(F)F)CC2)[n-]1 ZINC000342522875 145142637 /nfs/dbraw/zinc/14/26/37/145142637.db2.gz SZOHVCAFKVXTEA-UHFFFAOYSA-N -1 0 340.374 2.668 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c(C)c1C ZINC000343686395 145271185 /nfs/dbraw/zinc/27/11/85/145271185.db2.gz JGRPKRDYGKLXFI-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000350974350 146103966 /nfs/dbraw/zinc/10/39/66/146103966.db2.gz ZWPQJEPYEOIIFJ-UHFFFAOYSA-N -1 0 346.799 2.926 20 30 EFEDRM COc1ccc(C(=O)COc2ccc(C#N)cc2F)c2occ([O-])c21 ZINC000351647673 146167815 /nfs/dbraw/zinc/16/78/15/146167815.db2.gz DFQQMQVZNPVLJL-UHFFFAOYSA-N -1 0 341.294 2.543 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C#N ZINC000351696492 146180596 /nfs/dbraw/zinc/18/05/96/146180596.db2.gz MCXLYWBPHDRQFI-UHFFFAOYSA-N -1 0 332.429 2.933 20 30 EFEDRM N#Cc1c(F)ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1Cl ZINC000352013446 146264198 /nfs/dbraw/zinc/26/41/98/146264198.db2.gz JWFGYNRBEXXJMN-DUXPYHPUSA-N -1 0 336.666 2.631 20 30 EFEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000355820708 147074164 /nfs/dbraw/zinc/07/41/64/147074164.db2.gz RAWFQMKUIROVFW-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM COCc1n[n-]c(=NC2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000357126244 147433260 /nfs/dbraw/zinc/43/32/60/147433260.db2.gz NNJWUPDVERJUNT-UHFFFAOYSA-N -1 0 344.440 2.780 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1 ZINC000357454284 147529851 /nfs/dbraw/zinc/52/98/51/147529851.db2.gz KPDZGYTWHKXUMM-UHFFFAOYSA-N -1 0 345.424 2.742 20 30 EFEDRM CCOC(=O)c1[n-]c(=NC(=O)N2CCC[C@H]2CC)sc1C(C)=O ZINC000331290703 285976928 /nfs/dbraw/zinc/97/69/28/285976928.db2.gz BEMBYSNZWAGKNR-SNVBAGLBSA-N -1 0 339.417 2.942 20 30 EFEDRM CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000359146632 148007596 /nfs/dbraw/zinc/00/75/96/148007596.db2.gz MWKGOTOTXRWNMI-UHFFFAOYSA-N -1 0 343.408 2.650 20 30 EFEDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)ccc12 ZINC000359576972 148128547 /nfs/dbraw/zinc/12/85/47/148128547.db2.gz APXUZSRLJUAKLR-UHFFFAOYSA-N -1 0 332.410 2.616 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000359715118 148169461 /nfs/dbraw/zinc/16/94/61/148169461.db2.gz IWGFGJCRCNBDHW-UHFFFAOYSA-N -1 0 349.419 2.880 20 30 EFEDRM Cc1oc(-c2ccccc2)nc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000359717748 148170200 /nfs/dbraw/zinc/17/02/00/148170200.db2.gz NWPZYJFGAUVRSW-UHFFFAOYSA-N -1 0 333.351 2.796 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1Cl ZINC000361780890 148697626 /nfs/dbraw/zinc/69/76/26/148697626.db2.gz KICAZJDHGHDMFI-UHFFFAOYSA-N -1 0 332.719 2.604 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(Cl)c1 ZINC000375646888 151568855 /nfs/dbraw/zinc/56/88/55/151568855.db2.gz LZXMTWMMEGAYSC-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000408482457 152198514 /nfs/dbraw/zinc/19/85/14/152198514.db2.gz HYHKKUMSZVQWMX-XJKCOSOUSA-N -1 0 334.441 2.577 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000122112482 222016640 /nfs/dbraw/zinc/01/66/40/222016640.db2.gz NTKNFYUROXKXTQ-CQSZACIVSA-N -1 0 342.362 2.644 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000185109263 544970410 /nfs/dbraw/zinc/97/04/10/544970410.db2.gz STTGIWDBSWRXDP-UHFFFAOYSA-N -1 0 334.397 2.588 20 30 EFEDRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc21 ZINC000525956717 269935762 /nfs/dbraw/zinc/93/57/62/269935762.db2.gz HBJVSHUZXZLKBW-UHFFFAOYSA-N -1 0 329.356 2.990 20 30 EFEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290756789 270024641 /nfs/dbraw/zinc/02/46/41/270024641.db2.gz YWXFLVXYLFBBMA-UHFFFAOYSA-N -1 0 331.397 2.851 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(C3CCOCC3)s2)c1 ZINC000295658444 270025332 /nfs/dbraw/zinc/02/53/32/270025332.db2.gz BLFZHQFVGVYTLP-UHFFFAOYSA-N -1 0 349.437 2.710 20 30 EFEDRM CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000326775841 270026314 /nfs/dbraw/zinc/02/63/14/270026314.db2.gz SGPVBLLFBZXBBB-UHFFFAOYSA-N -1 0 344.392 2.928 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c(F)c1 ZINC000424056961 270028139 /nfs/dbraw/zinc/02/81/39/270028139.db2.gz APLMXEMRMPZGJI-UHFFFAOYSA-N -1 0 340.355 2.723 20 30 EFEDRM N#Cc1ccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000492009203 270032115 /nfs/dbraw/zinc/03/21/15/270032115.db2.gz RMQUPHWDOBOOJJ-BJMVGYQFSA-N -1 0 332.319 2.553 20 30 EFEDRM N#Cc1ccc(CSc2n[n-]c(=NC[C@@H]3CCCO3)s2)s1 ZINC000519782879 270034250 /nfs/dbraw/zinc/03/42/50/270034250.db2.gz USIIZHYXJTVLRR-VIFPVBQESA-N -1 0 338.483 2.776 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1C#N ZINC000187726188 265114637 /nfs/dbraw/zinc/11/46/37/265114637.db2.gz MQHBXYTZCDPSMT-GFCCVEGCSA-N -1 0 330.413 2.835 20 30 EFEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000293256879 266357335 /nfs/dbraw/zinc/35/73/35/266357335.db2.gz GMFFPKSDKCEHLL-SECBINFHSA-N -1 0 343.305 2.609 20 30 EFEDRM CCn1nncc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000345065431 266476428 /nfs/dbraw/zinc/47/64/28/266476428.db2.gz YEXHEOCOXULEQW-CYBMUJFWSA-N -1 0 348.391 2.783 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cnn1CCC(C)C ZINC000276897481 267072222 /nfs/dbraw/zinc/07/22/22/267072222.db2.gz LEIFTHSYBGYBSU-UHFFFAOYSA-N -1 0 347.444 2.559 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000292370514 267110853 /nfs/dbraw/zinc/11/08/53/267110853.db2.gz RWTUGYCNKUGGMF-PSASIEDQSA-N -1 0 346.740 2.642 20 30 EFEDRM CCO[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000415260385 267144707 /nfs/dbraw/zinc/14/47/07/267144707.db2.gz WWFIEAMPQHKDLR-OAHLLOKOSA-N -1 0 326.400 2.648 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)NCCCCCCCC(=O)[O-] ZINC000275278485 267309242 /nfs/dbraw/zinc/30/92/42/267309242.db2.gz NZGWCMKPUUJDOF-UHFFFAOYSA-N -1 0 338.429 2.570 20 30 EFEDRM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000331672978 267335130 /nfs/dbraw/zinc/33/51/30/267335130.db2.gz QGOYTCDOSSDEDR-UHFFFAOYSA-N -1 0 331.397 2.861 20 30 EFEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)ncc2C1 ZINC000278262372 267384014 /nfs/dbraw/zinc/38/40/14/267384014.db2.gz DCZUABANMLJAPY-UHFFFAOYSA-N -1 0 342.424 2.664 20 30 EFEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000278444701 267443161 /nfs/dbraw/zinc/44/31/61/267443161.db2.gz WTEWPLNFLFMMKL-ZWNOBZJWSA-N -1 0 334.363 2.955 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1[O-] ZINC000188833213 268046798 /nfs/dbraw/zinc/04/67/98/268046798.db2.gz YIGOQLREGCZLSY-UHFFFAOYSA-N -1 0 325.299 2.540 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)cc1[O-] ZINC000188421073 268048179 /nfs/dbraw/zinc/04/81/79/268048179.db2.gz GPKAMTGDLXFXNQ-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)o1 ZINC000288518153 268207331 /nfs/dbraw/zinc/20/73/31/268207331.db2.gz NLGKJPADCCSNSR-UHFFFAOYSA-N -1 0 335.360 2.691 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1F ZINC000427250894 268259943 /nfs/dbraw/zinc/25/99/43/268259943.db2.gz QXJWHOFSGWEJQI-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c(F)c1 ZINC000530899766 268260993 /nfs/dbraw/zinc/26/09/93/268260993.db2.gz JFIMDZJMRZCNBM-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c(F)c1 ZINC000525327594 268261075 /nfs/dbraw/zinc/26/10/75/268261075.db2.gz XVPPVJTTYJSFSM-UHFFFAOYSA-N -1 0 337.401 2.833 20 30 EFEDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000106008682 275789574 /nfs/dbraw/zinc/78/95/74/275789574.db2.gz CWAWROUNMAEOFQ-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1-c1ccccc1 ZINC000155077656 280583390 /nfs/dbraw/zinc/58/33/90/280583390.db2.gz MLQROKYBWWPUCB-UHFFFAOYSA-N -1 0 345.366 2.714 20 30 EFEDRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000073288913 281880858 /nfs/dbraw/zinc/88/08/58/281880858.db2.gz SONBWBLDXHBUIQ-AWEZNQCLSA-N -1 0 344.477 2.644 20 30 EFEDRM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000088546043 292829927 /nfs/dbraw/zinc/82/99/27/292829927.db2.gz ZWRXFJBXLMOOAS-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000125485524 293011438 /nfs/dbraw/zinc/01/14/38/293011438.db2.gz OJJRRPVXYLOUGT-UHFFFAOYSA-N -1 0 348.403 2.739 20 30 EFEDRM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125790471 293017163 /nfs/dbraw/zinc/01/71/63/293017163.db2.gz YHAFXVKSOICLBW-VIFPVBQESA-N -1 0 334.413 2.646 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C ZINC000131301295 293192622 /nfs/dbraw/zinc/19/26/22/293192622.db2.gz DKRILMXPOWVNBD-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(C#N)cc1F ZINC000131603922 293202365 /nfs/dbraw/zinc/20/23/65/293202365.db2.gz XMJOGIXIZSOVST-UHFFFAOYSA-N -1 0 328.372 2.627 20 30 EFEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000132719524 293235349 /nfs/dbraw/zinc/23/53/49/293235349.db2.gz PRSYQBVPAWCKSD-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C#N)cc1OC ZINC000152720145 293345714 /nfs/dbraw/zinc/34/57/14/293345714.db2.gz ZQPLNZBXQVZWKX-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1 ZINC000153441792 293375844 /nfs/dbraw/zinc/37/58/44/293375844.db2.gz ACVZZTAMGNVSKR-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000069900512 293396961 /nfs/dbraw/zinc/39/69/61/293396961.db2.gz IFUIUJCLSSFBBK-LURJTMIESA-N -1 0 329.271 2.525 20 30 EFEDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000158052178 293563471 /nfs/dbraw/zinc/56/34/71/293563471.db2.gz VADCEIHBJUULGY-UHFFFAOYSA-N -1 0 347.371 2.847 20 30 EFEDRM COc1ccc(=NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)[n-]n1 ZINC000329141037 295064441 /nfs/dbraw/zinc/06/44/41/295064441.db2.gz UABGOESWMWUILD-LBPRGKRZSA-N -1 0 328.372 2.535 20 30 EFEDRM COc1ccc(=NC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)[n-]n1 ZINC000329149605 295064596 /nfs/dbraw/zinc/06/45/96/295064596.db2.gz YZMAMHFXRJFQCU-LBPRGKRZSA-N -1 0 346.362 2.675 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000263103171 300473023 /nfs/dbraw/zinc/47/30/23/300473023.db2.gz KEWUAYGNVAFIDT-AAEUAGOBSA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@]1(/N=C(/[O-])c2cnc3n(c2=O)CCS3)CCCc2ccccc21 ZINC000328660826 300742365 /nfs/dbraw/zinc/74/23/65/300742365.db2.gz WBBVEWKHYHOYNJ-SFHVURJKSA-N -1 0 341.436 2.905 20 30 EFEDRM N#CC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOCC1 ZINC000178192057 303141453 /nfs/dbraw/zinc/14/14/53/303141453.db2.gz NIYWTABBDUESEY-UHFFFAOYSA-N -1 0 330.365 2.858 20 30 EFEDRM N#CC1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCSCC1 ZINC000270245633 303145314 /nfs/dbraw/zinc/14/53/14/303145314.db2.gz WNQHKKQLCBQJQK-UHFFFAOYSA-N -1 0 332.322 2.962 20 30 EFEDRM N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](C(=O)[O-])C1 ZINC000263532038 303213212 /nfs/dbraw/zinc/21/32/12/303213212.db2.gz XBOLQJSMBATYDR-VIFPVBQESA-N -1 0 346.184 2.780 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)[n-]c1C#N ZINC000075555075 303216679 /nfs/dbraw/zinc/21/66/79/303216679.db2.gz LDBDLQUSIZWMNG-UWVGGRQHSA-N -1 0 345.284 2.914 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2N=S=N3)n1 ZINC000164017010 310729212 /nfs/dbraw/zinc/72/92/12/310729212.db2.gz MJXTYSWMKAHSLY-UHFFFAOYSA-N -1 0 348.413 2.863 20 30 EFEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)nc3)nc21 ZINC000171148800 310743077 /nfs/dbraw/zinc/74/30/77/310743077.db2.gz DAUNLVUMYWJEAH-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cn1 ZINC000535780406 317611027 /nfs/dbraw/zinc/61/10/27/317611027.db2.gz BZQBNKNERIIPMN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccc(CN(C(=O)N=c2ccc(C3CC3)n[n-]2)C2CC2)cc1 ZINC000541458603 317777276 /nfs/dbraw/zinc/77/72/76/317777276.db2.gz NSEUJPMJZFWHEO-UHFFFAOYSA-N -1 0 333.395 2.844 20 30 EFEDRM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F ZINC000543683697 317858166 /nfs/dbraw/zinc/85/81/66/317858166.db2.gz BXRQDFNLDVMEEC-NSHDSACASA-N -1 0 338.326 2.953 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2c(C)nn(CC)c2C)s1 ZINC000555194427 318348758 /nfs/dbraw/zinc/34/87/58/318348758.db2.gz GTSFPZGHWYQVCQ-UHFFFAOYSA-N -1 0 338.458 2.816 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N=c1[n-]nc(CC2CCCCC2)s1 ZINC000555870887 318372100 /nfs/dbraw/zinc/37/21/00/318372100.db2.gz MDUXAZMPBUETTF-UHFFFAOYSA-N -1 0 341.440 2.910 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C1CC1 ZINC000562707248 318688101 /nfs/dbraw/zinc/68/81/01/318688101.db2.gz KTTJXRFJWSUZEM-UHFFFAOYSA-N -1 0 336.442 2.904 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000568789657 319319293 /nfs/dbraw/zinc/31/92/93/319319293.db2.gz IXSVIAQHZSDCMY-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000569440276 319380323 /nfs/dbraw/zinc/38/03/23/319380323.db2.gz VVTVNWKHAOFNCJ-GFCCVEGCSA-N -1 0 332.404 2.833 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000571103316 319542672 /nfs/dbraw/zinc/54/26/72/319542672.db2.gz FFPUBARSMANPCI-UHFFFAOYSA-N -1 0 348.355 2.796 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000571850386 319611254 /nfs/dbraw/zinc/61/12/54/319611254.db2.gz RNYGGLMPFGPUNE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])ccc1C#N ZINC000574830461 319898439 /nfs/dbraw/zinc/89/84/39/319898439.db2.gz BKHPTKNTXKHOIT-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000577459057 320111431 /nfs/dbraw/zinc/11/14/31/320111431.db2.gz PHJOLVQHVLHZFC-QGZVFWFLSA-N -1 0 348.362 2.857 20 30 EFEDRM COc1ccc([C@H](NC(=O)Nc2cccc(C#N)c2)C(=O)[O-])cc1F ZINC000578110062 320173378 /nfs/dbraw/zinc/17/33/78/320173378.db2.gz MRUFXILJUUPDLT-HNNXBMFYSA-N -1 0 343.314 2.653 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000007056918 323210677 /nfs/dbraw/zinc/21/06/77/323210677.db2.gz WDHIARPEDQCTAE-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1 ZINC000181147505 323228850 /nfs/dbraw/zinc/22/88/50/323228850.db2.gz WZYHCTMWDDRTCT-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000182737151 323299302 /nfs/dbraw/zinc/29/93/02/323299302.db2.gz TVMWMHKEONKEBH-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000391267266 323783158 /nfs/dbraw/zinc/78/31/58/323783158.db2.gz XNSZKJXYYHRVLM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C(=O)[O-] ZINC000578867554 323829980 /nfs/dbraw/zinc/82/99/80/323829980.db2.gz SVJWETSTDCPPTR-QMTHXVAHSA-N -1 0 340.339 2.562 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)cc1OCC ZINC000580564425 324189362 /nfs/dbraw/zinc/18/93/62/324189362.db2.gz ZGEFOARFVZMPDD-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM COc1ccc(=NCc2cccc(OCc3ccccc3C#N)c2)[n-]n1 ZINC000580967948 324277580 /nfs/dbraw/zinc/27/75/80/324277580.db2.gz QMODMWYIUDEMBB-UHFFFAOYSA-N -1 0 346.390 2.970 20 30 EFEDRM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000581285650 324341708 /nfs/dbraw/zinc/34/17/08/324341708.db2.gz ZUQCRXKQWLVRSX-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000610725202 450312678 /nfs/dbraw/zinc/31/26/78/450312678.db2.gz MONHSXRKXGWLQK-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2C1 ZINC000066249577 462867370 /nfs/dbraw/zinc/86/73/70/462867370.db2.gz TUBKXOOIHMMJSM-SNVBAGLBSA-N -1 0 333.438 2.940 20 30 EFEDRM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124213269 473221070 /nfs/dbraw/zinc/22/10/70/473221070.db2.gz NCEWBYHGXMQXQA-SECBINFHSA-N -1 0 342.392 2.807 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)sc1C ZINC000095959563 473230695 /nfs/dbraw/zinc/23/06/95/473230695.db2.gz CZINQQVZXQJDEL-UHFFFAOYSA-N -1 0 327.818 2.508 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)CSc1n[n-]c(=S)s1 ZINC000081681225 473242685 /nfs/dbraw/zinc/24/26/85/473242685.db2.gz KWVIEYTVRPYFLJ-UHFFFAOYSA-N -1 0 330.504 2.707 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccccc2F)c1 ZINC000096008073 473254354 /nfs/dbraw/zinc/25/43/54/473254354.db2.gz BTUIRGKRTPMSTE-UHFFFAOYSA-N -1 0 339.392 2.566 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000184868731 473259412 /nfs/dbraw/zinc/25/94/12/473259412.db2.gz YHELQYUVZHFSSV-UHFFFAOYSA-N -1 0 348.428 2.610 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1[N+](=O)[O-] ZINC000124588824 473269090 /nfs/dbraw/zinc/26/90/90/473269090.db2.gz FKIFSDVTFSDLEK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@H]3C)cc2[n-]c1=S ZINC000177024666 473288748 /nfs/dbraw/zinc/28/87/48/473288748.db2.gz XAIKRKSANNLTFS-VXGBXAGGSA-N -1 0 343.452 2.742 20 30 EFEDRM N#Cc1c[nH]nc1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000601638130 468947037 /nfs/dbraw/zinc/94/70/37/468947037.db2.gz DPTYAMDDGWZFSC-UHFFFAOYSA-N -1 0 344.425 2.805 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)s1 ZINC000618602925 469401123 /nfs/dbraw/zinc/40/11/23/469401123.db2.gz XWWYWJAOXXTMMP-UHFFFAOYSA-N -1 0 331.781 2.749 20 30 EFEDRM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000185189880 473356772 /nfs/dbraw/zinc/35/67/72/473356772.db2.gz UFMZYOUEDSGBFU-VIFPVBQESA-N -1 0 341.758 2.654 20 30 EFEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000177358297 473363026 /nfs/dbraw/zinc/36/30/26/473363026.db2.gz FQNCAQFEQGTMIP-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CCCCCc1nnc([N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000083955694 473377272 /nfs/dbraw/zinc/37/72/72/473377272.db2.gz DKWJHKAMSHLZSG-UHFFFAOYSA-N -1 0 336.442 2.943 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)CCO2 ZINC000084025684 473384291 /nfs/dbraw/zinc/38/42/91/473384291.db2.gz SYLPEZPBLAXUEC-GQCTYLIASA-N -1 0 348.380 2.585 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000084025700 473384657 /nfs/dbraw/zinc/38/46/57/473384657.db2.gz WFSYCYJTTVHVJD-SKDRFNHKSA-N -1 0 330.406 2.532 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000619780659 479883976 /nfs/dbraw/zinc/88/39/76/479883976.db2.gz ZUURFTAZIXSABD-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)n[nH]2)o1 ZINC000446649806 476900866 /nfs/dbraw/zinc/90/08/66/476900866.db2.gz VPXIUSROHATQTP-UHFFFAOYSA-N -1 0 328.353 2.651 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1 ZINC000619816860 479890041 /nfs/dbraw/zinc/89/00/41/479890041.db2.gz ONHXIQLAZNAYHZ-VIFPVBQESA-N -1 0 331.353 2.675 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000010514757 471737581 /nfs/dbraw/zinc/73/75/81/471737581.db2.gz ANMJYXGUBFLJBT-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013170937 471820598 /nfs/dbraw/zinc/82/05/98/471820598.db2.gz ZKGUQRGKXGYPPT-LOWQCSRCSA-N -1 0 345.395 2.596 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)[n-]c1C#N ZINC000067150953 471998657 /nfs/dbraw/zinc/99/86/57/471998657.db2.gz URPPZXAWWAKLQM-UHFFFAOYSA-N -1 0 349.272 2.623 20 30 EFEDRM Cc1ccccc1-c1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cs1 ZINC000067150948 471999320 /nfs/dbraw/zinc/99/93/20/471999320.db2.gz FIINSNXMNRDNKW-UHFFFAOYSA-N -1 0 334.364 2.837 20 30 EFEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC(C)(C)C1 ZINC000067600762 472056899 /nfs/dbraw/zinc/05/68/99/472056899.db2.gz HWIZQOCGRBVNDE-VXGBXAGGSA-N -1 0 327.450 2.918 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000041508364 472066662 /nfs/dbraw/zinc/06/66/62/472066662.db2.gz WHKRLMNJOPDKHR-LLVKDONJSA-N -1 0 328.397 2.759 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2nc(C)n(-c3ccc(F)cc3)n2)n1 ZINC000041518130 472067307 /nfs/dbraw/zinc/06/73/07/472067307.db2.gz PXKBMSNHOXEXBY-ZDUSSCGKSA-N -1 0 341.371 2.970 20 30 EFEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2ccccc2o1 ZINC000041539573 472068664 /nfs/dbraw/zinc/06/86/64/472068664.db2.gz OBVURUKVUQBXBF-ZDUSSCGKSA-N -1 0 329.319 2.899 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)cs1 ZINC000041539884 472068918 /nfs/dbraw/zinc/06/89/18/472068918.db2.gz IRHFESLIDVAGQI-VIFPVBQESA-N -1 0 326.337 2.733 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)n1 ZINC000067898364 472106234 /nfs/dbraw/zinc/10/62/34/472106234.db2.gz AFCFEDFJVFNKMF-LLVKDONJSA-N -1 0 345.336 2.718 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2CC)n1 ZINC000067893872 472106458 /nfs/dbraw/zinc/10/64/58/472106458.db2.gz YRFILWDLDNNVSZ-SECBINFHSA-N -1 0 333.369 2.669 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)ccc2OC)n1 ZINC000067894234 472106813 /nfs/dbraw/zinc/10/68/13/472106813.db2.gz ZQCIKYYSTXBABV-NSHDSACASA-N -1 0 348.355 2.958 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2OC)n1 ZINC000067898388 472107064 /nfs/dbraw/zinc/10/70/64/472107064.db2.gz STCVKBGXNUUPIN-NSHDSACASA-N -1 0 330.365 2.818 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OC)c2)n1 ZINC000067895368 472107091 /nfs/dbraw/zinc/10/70/91/472107091.db2.gz AFMFUYPWPCRYEH-LBPRGKRZSA-N -1 0 330.365 2.818 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1C(C)(C)C ZINC000054727197 472111914 /nfs/dbraw/zinc/11/19/14/472111914.db2.gz XGOFYRGOTRAORM-CYBMUJFWSA-N -1 0 340.431 2.755 20 30 EFEDRM N#Cc1nc(NC(=O)CCCc2nc3ccccc3s2)[n-]c1C#N ZINC000026272685 472130067 /nfs/dbraw/zinc/13/00/67/472130067.db2.gz DBKBTWPUTMKSFW-UHFFFAOYSA-N -1 0 336.380 2.724 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]c1C#N ZINC000026272282 472130825 /nfs/dbraw/zinc/13/08/25/472130825.db2.gz IBHAIRDIDGOPCI-UHFFFAOYSA-N -1 0 338.308 2.528 20 30 EFEDRM N#Cc1nc(NC(=O)Cc2csc(-c3cccs3)n2)[n-]c1C#N ZINC000026271220 472130919 /nfs/dbraw/zinc/13/09/19/472130919.db2.gz AQDHCWQFFBZBKQ-UHFFFAOYSA-N -1 0 340.393 2.519 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)OCC)cc1 ZINC000042344660 472131817 /nfs/dbraw/zinc/13/18/17/472131817.db2.gz BSHTVKXGTYVDMY-UHFFFAOYSA-N -1 0 328.390 2.690 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccccc2Cl)cc1C#N ZINC000027607162 472187315 /nfs/dbraw/zinc/18/73/15/472187315.db2.gz YOCNCNLMFRVLJM-UHFFFAOYSA-N -1 0 333.800 2.964 20 30 EFEDRM COc1ccccc1CN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000027606976 472187579 /nfs/dbraw/zinc/18/75/79/472187579.db2.gz WOKPMSXWLGNDBP-UHFFFAOYSA-N -1 0 343.408 2.662 20 30 EFEDRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055589441 472209919 /nfs/dbraw/zinc/20/99/19/472209919.db2.gz CGCLOTPRZLAGGA-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1OC ZINC000055631828 472214217 /nfs/dbraw/zinc/21/42/17/472214217.db2.gz NEKMEBYJQUWDDM-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000044476879 472309120 /nfs/dbraw/zinc/30/91/20/472309120.db2.gz CFTLEJNZNNZFEC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1C#N ZINC000076384665 472336086 /nfs/dbraw/zinc/33/60/86/472336086.db2.gz SEHWVPNCAZCWTD-FZMZJTMJSA-N -1 0 349.456 2.706 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)ccc1OC ZINC000088474251 472366857 /nfs/dbraw/zinc/36/68/57/472366857.db2.gz SCWYRMCKZJBTHH-VIFPVBQESA-N -1 0 333.207 2.502 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000057125792 472383421 /nfs/dbraw/zinc/38/34/21/472383421.db2.gz FVENCNCESKWGFP-UHFFFAOYSA-N -1 0 330.409 2.941 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)CCCC3)cc1C#N ZINC000031907000 472401492 /nfs/dbraw/zinc/40/14/92/472401492.db2.gz OBKPKOZCQGSJDA-UHFFFAOYSA-N -1 0 346.437 2.968 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000097048799 472425367 /nfs/dbraw/zinc/42/53/67/472425367.db2.gz CUSNQCQDNDALOD-UHFFFAOYSA-N -1 0 349.343 2.590 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)Cc1ccc(Br)cc1C ZINC000097141037 472459887 /nfs/dbraw/zinc/45/98/87/472459887.db2.gz UDPPYAJXOYAYSX-UHFFFAOYSA-N -1 0 334.235 2.996 20 30 EFEDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058102388 472504662 /nfs/dbraw/zinc/50/46/62/472504662.db2.gz NHIWMHFFYQDACT-UHFFFAOYSA-N -1 0 339.760 2.583 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(F)c(F)c1 ZINC000058149915 472507744 /nfs/dbraw/zinc/50/77/44/472507744.db2.gz DCZIKUOPUUSVNU-UHFFFAOYSA-N -1 0 346.742 2.848 20 30 EFEDRM CCc1c([O-])nc(SCCCC#N)n(-c2ccc(OC)cc2)c1=O ZINC000128952991 472513831 /nfs/dbraw/zinc/51/38/31/472513831.db2.gz MQZYKWYBFWZHAB-UHFFFAOYSA-N -1 0 345.424 2.905 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2c(C)noc2C(C)C)c1 ZINC000058187426 472514682 /nfs/dbraw/zinc/51/46/82/472514682.db2.gz KKSZETATZAOYKH-UHFFFAOYSA-N -1 0 338.385 2.809 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1Cl ZINC000098052290 472516327 /nfs/dbraw/zinc/51/63/27/472516327.db2.gz HRCPCPUCTYZXSH-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCCCC#N)c2)C(=O)O1 ZINC000100700652 472528295 /nfs/dbraw/zinc/52/82/95/472528295.db2.gz IMTBIWCETHGYGN-DVBCCOPCSA-N -1 0 339.347 2.597 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000101671926 472548546 /nfs/dbraw/zinc/54/85/46/472548546.db2.gz OLTMJCXGNCXRMK-UHFFFAOYSA-N -1 0 341.798 2.880 20 30 EFEDRM Cc1cccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nn2)c1 ZINC000102116013 472564500 /nfs/dbraw/zinc/56/45/00/472564500.db2.gz UJOZNNNZVLXBAX-CQSZACIVSA-N -1 0 342.362 2.942 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000089977549 472569424 /nfs/dbraw/zinc/56/94/24/472569424.db2.gz AYYSTXFOMHCYDU-UHFFFAOYSA-N -1 0 341.396 2.667 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc2cc(Br)cc(C)c2o1 ZINC000102317518 472571781 /nfs/dbraw/zinc/57/17/81/472571781.db2.gz JROYKQVQUXUIEK-JTQLQIEISA-N -1 0 335.157 2.572 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071874471 472592608 /nfs/dbraw/zinc/59/26/08/472592608.db2.gz KCDDMMICCTUVLY-UHFFFAOYSA-N -1 0 336.394 2.555 20 30 EFEDRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000071883894 472598917 /nfs/dbraw/zinc/59/89/17/472598917.db2.gz HCPIADYWVHJZSH-SECBINFHSA-N -1 0 342.804 2.672 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1F ZINC000130409625 472603551 /nfs/dbraw/zinc/60/35/51/472603551.db2.gz VUJYJSOKQGNHPH-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000103502743 472638494 /nfs/dbraw/zinc/63/84/94/472638494.db2.gz MFDTUJYGXOJWLA-INIZCTEOSA-N -1 0 335.407 2.992 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)CCC3CC3)cc2[n-]c1=S ZINC000131051261 472645865 /nfs/dbraw/zinc/64/58/65/472645865.db2.gz NXJSRZIYKAALIB-UHFFFAOYSA-N -1 0 343.452 2.743 20 30 EFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000047211726 472671141 /nfs/dbraw/zinc/67/11/41/472671141.db2.gz VCVPUPABQLPJSG-UHFFFAOYSA-N -1 0 348.811 2.504 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)[n-]c1C#N ZINC000132529407 472739983 /nfs/dbraw/zinc/73/99/83/472739983.db2.gz UOUJUBNGEXXQIK-UHFFFAOYSA-N -1 0 338.714 2.714 20 30 EFEDRM CCc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120848854 472756743 /nfs/dbraw/zinc/75/67/43/472756743.db2.gz BREPAWFOYVBFPS-UHFFFAOYSA-N -1 0 345.380 2.507 20 30 EFEDRM CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000078796538 472771344 /nfs/dbraw/zinc/77/13/44/472771344.db2.gz DPZKAGVHRKZACQ-ZCFIWIBFSA-N -1 0 329.271 2.525 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H](C)c2ccccc2)cc1C#N ZINC000078899173 472786859 /nfs/dbraw/zinc/78/68/59/472786859.db2.gz GMMKLCQZIQIYKH-NSHDSACASA-N -1 0 327.409 2.914 20 30 EFEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cn1 ZINC000121122620 472802068 /nfs/dbraw/zinc/80/20/68/472802068.db2.gz KNNYVLFHAOQVJT-SECBINFHSA-N -1 0 339.298 2.751 20 30 EFEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc2cc(F)ccc2s1 ZINC000073532728 472824757 /nfs/dbraw/zinc/82/47/57/472824757.db2.gz YLOMMOYLLAGSHV-NSHDSACASA-N -1 0 337.339 2.968 20 30 EFEDRM O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000079201400 472831241 /nfs/dbraw/zinc/83/12/41/472831241.db2.gz KIHNNLZCJRMKSX-RMKNXTFCSA-N -1 0 339.373 2.772 20 30 EFEDRM Cc1cccc(C=CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 ZINC000079201728 472832326 /nfs/dbraw/zinc/83/23/26/472832326.db2.gz PCULNYNUUWFUSF-VMPITWQZSA-N -1 0 347.352 2.657 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)c3c[nH]nc32)cc1C#N ZINC000064056832 472833130 /nfs/dbraw/zinc/83/31/30/472833130.db2.gz DFCLKGNNTZRGDM-UHFFFAOYSA-N -1 0 339.380 2.818 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000064102115 472834718 /nfs/dbraw/zinc/83/47/18/472834718.db2.gz STLSQNDZNOUHJR-AWEZNQCLSA-N -1 0 339.355 2.711 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000064478958 472857638 /nfs/dbraw/zinc/85/76/38/472857638.db2.gz VDEYFXTZOUXEOT-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048405666 472873348 /nfs/dbraw/zinc/87/33/48/472873348.db2.gz UUAIZELTLHYXNB-HJWRWDBZSA-N -1 0 339.804 2.741 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000048423195 472875417 /nfs/dbraw/zinc/87/54/17/472875417.db2.gz QDDUPXOTMPMRAF-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)COCCOc1ccccc1 ZINC000048426619 472875490 /nfs/dbraw/zinc/87/54/90/472875490.db2.gz XYROHEUILQGVOR-UHFFFAOYSA-N -1 0 349.408 2.736 20 30 EFEDRM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000048475114 472881547 /nfs/dbraw/zinc/88/15/47/472881547.db2.gz FMXQBGOFXXIBEJ-UHFFFAOYSA-N -1 0 340.445 2.645 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000106724377 472884381 /nfs/dbraw/zinc/88/43/81/472884381.db2.gz HYDJSVHXZXFYGG-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc([N+](=O)[O-])c1[O-] ZINC000064926112 472885921 /nfs/dbraw/zinc/88/59/21/472885921.db2.gz VFPABZYCXKWYLW-AATRIKPKSA-N -1 0 331.328 2.555 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000048536512 472887128 /nfs/dbraw/zinc/88/71/28/472887128.db2.gz KTQQKYCAZOGDLT-PKNBQFBNSA-N -1 0 337.397 2.849 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(F)c1 ZINC000158095812 472892251 /nfs/dbraw/zinc/89/22/51/472892251.db2.gz BJCHPAUPCSJVOH-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000092389375 472905401 /nfs/dbraw/zinc/90/54/01/472905401.db2.gz VUCFINOEBCYHQN-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)cs1 ZINC000121749423 472906264 /nfs/dbraw/zinc/90/62/64/472906264.db2.gz YOOXOMZQFREWHY-SNVBAGLBSA-N -1 0 326.381 2.666 20 30 EFEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)nn2)cc1 ZINC000048813547 472912492 /nfs/dbraw/zinc/91/24/92/472912492.db2.gz BDKBINXURZBTJR-CQSZACIVSA-N -1 0 342.362 2.942 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000073975890 472914189 /nfs/dbraw/zinc/91/41/89/472914189.db2.gz XHUQKWBNOWUTIV-JTQLQIEISA-N -1 0 345.336 2.621 20 30 EFEDRM COc1cc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)ccc1C ZINC000065418497 472937754 /nfs/dbraw/zinc/93/77/54/472937754.db2.gz NEHLYJHVDFDEHF-UHFFFAOYSA-N -1 0 343.408 2.628 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000134619980 472940756 /nfs/dbraw/zinc/94/07/56/472940756.db2.gz VIGAZPQQTHQATK-UHFFFAOYSA-N -1 0 344.392 2.766 20 30 EFEDRM N#CC(=C([O-])c1cccs1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391662 472947191 /nfs/dbraw/zinc/94/71/91/472947191.db2.gz XMAJQIFSRDFPHR-NSHDSACASA-N -1 0 336.380 2.749 20 30 EFEDRM N#CC(=C([O-])c1cccc(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391638 472947750 /nfs/dbraw/zinc/94/77/50/472947750.db2.gz NKUPLHPBGAPJST-AWEZNQCLSA-N -1 0 348.341 2.827 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000108250844 473009379 /nfs/dbraw/zinc/00/93/79/473009379.db2.gz BGBOMPPIZUMVOB-UHFFFAOYSA-N -1 0 336.442 2.833 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cs1 ZINC000066003621 473036683 /nfs/dbraw/zinc/03/66/83/473036683.db2.gz CQNHIEPKTKMNDR-UHFFFAOYSA-N -1 0 340.426 2.602 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)n(CCC#N)n1 ZINC000066248014 473063064 /nfs/dbraw/zinc/06/30/64/473063064.db2.gz XNMSEHRXPXZNEL-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n(CCC#N)n1 ZINC000066247952 473063288 /nfs/dbraw/zinc/06/32/88/473063288.db2.gz IJTYUHHXDVDLSL-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)n(CCC#N)n1 ZINC000066248030 473063546 /nfs/dbraw/zinc/06/35/46/473063546.db2.gz WWHARKRTMMRMHR-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cscn2)c(F)c1 ZINC000080667413 473065839 /nfs/dbraw/zinc/06/58/39/473065839.db2.gz BQJNINYMLKYKIF-HWKANZROSA-N -1 0 326.374 2.949 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)nc1 ZINC000051953464 473074601 /nfs/dbraw/zinc/07/46/01/473074601.db2.gz GXQUBXMRAIUFDC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccccc1F ZINC000109422663 473100078 /nfs/dbraw/zinc/10/00/78/473100078.db2.gz WXIXVSQURZOWCJ-UHFFFAOYSA-N -1 0 335.360 2.704 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000160665086 473157202 /nfs/dbraw/zinc/15/72/02/473157202.db2.gz SSWKIPIUDNZKON-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM C#CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCCC1 ZINC000081300701 473179655 /nfs/dbraw/zinc/17/96/55/473179655.db2.gz QQZHLTFRHIFEQW-UHFFFAOYSA-N -1 0 337.423 2.882 20 30 EFEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000123764846 473182779 /nfs/dbraw/zinc/18/27/79/473182779.db2.gz REMMPSOMYQPDFQ-SNVBAGLBSA-N -1 0 349.343 2.645 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)cc1OC ZINC000095385807 473194751 /nfs/dbraw/zinc/19/47/51/473194751.db2.gz DWYGRJSLSPEIFV-UHFFFAOYSA-N -1 0 339.344 2.536 20 30 EFEDRM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137340554 473203872 /nfs/dbraw/zinc/20/38/72/473203872.db2.gz ROVKZBGVWVZXGY-UHFFFAOYSA-N -1 0 343.408 2.650 20 30 EFEDRM COCCOc1cc(OC)ccc1C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000190787772 473392771 /nfs/dbraw/zinc/39/27/71/473392771.db2.gz UQNSTESMFDPWSB-AWEZNQCLSA-N -1 0 346.408 2.975 20 30 EFEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190907608 473425949 /nfs/dbraw/zinc/42/59/49/473425949.db2.gz LPAINBPTAAYERN-CQSZACIVSA-N -1 0 331.331 2.906 20 30 EFEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190937547 473434186 /nfs/dbraw/zinc/43/41/86/473434186.db2.gz DDYDNLKDSDTGKE-BZQUYTCOSA-N -1 0 349.415 2.998 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1C#N ZINC000151344928 473445733 /nfs/dbraw/zinc/44/57/33/473445733.db2.gz ZWAOHTZRECYFCE-AWBCAMRRSA-N -1 0 340.379 2.807 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1cnc2ccccc2n1 ZINC000190994960 473450660 /nfs/dbraw/zinc/45/06/60/473450660.db2.gz QLFUPYXCVAXZPN-CYBMUJFWSA-N -1 0 340.346 2.701 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000185608078 473467600 /nfs/dbraw/zinc/46/76/00/473467600.db2.gz YKDLYLRBVQEGLP-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000185638237 473475169 /nfs/dbraw/zinc/47/51/69/473475169.db2.gz MFKJTTOMHVCSCI-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000191101056 473479279 /nfs/dbraw/zinc/47/92/79/473479279.db2.gz HVGDQUBARJVKLK-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC(F)F ZINC000114674301 473492498 /nfs/dbraw/zinc/49/24/98/473492498.db2.gz CXBIEEYYVXHKJE-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000172123958 473529440 /nfs/dbraw/zinc/52/94/40/473529440.db2.gz IWGUXVMUHWEVBM-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000178599728 473535662 /nfs/dbraw/zinc/53/56/62/473535662.db2.gz ZKJSHORZSWPEMC-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C2CC2)n1 ZINC000633898917 480045365 /nfs/dbraw/zinc/04/53/65/480045365.db2.gz BTJHHBHPPPXHBJ-CYBMUJFWSA-N -1 0 338.415 2.588 20 30 EFEDRM N#CC(=C([O-])c1cncc(N2CCCC2)n1)c1nc2ccccc2o1 ZINC000633901142 480045795 /nfs/dbraw/zinc/04/57/95/480045795.db2.gz XRSVRFQKTCCJDX-GFCCVEGCSA-N -1 0 333.351 2.708 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)c3ccccc32)cc1C#N ZINC000126960209 473563366 /nfs/dbraw/zinc/56/33/66/473563366.db2.gz ZGLDLTORQNQRCL-SNVBAGLBSA-N -1 0 325.393 2.732 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC(C)(C)c2cccc(Cl)c2F)[n-]1 ZINC000613590092 480048174 /nfs/dbraw/zinc/04/81/74/480048174.db2.gz SCFUQTXDJGGXLF-UHFFFAOYSA-N -1 0 349.797 2.605 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179026030 473614361 /nfs/dbraw/zinc/61/43/61/473614361.db2.gz OIBXCBQVCBXFTE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CC(C)CN(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)C1CC1 ZINC000153455749 473624921 /nfs/dbraw/zinc/62/49/21/473624921.db2.gz USKOGHJXKZWZKI-UHFFFAOYSA-N -1 0 346.475 2.989 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000186349515 473656558 /nfs/dbraw/zinc/65/65/58/473656558.db2.gz JUUQDGKNVBGCRS-LBPRGKRZSA-N -1 0 331.715 2.948 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000179377100 473682153 /nfs/dbraw/zinc/68/21/53/473682153.db2.gz LDTKHNIAJPGUAJ-BZUAXINKSA-N -1 0 346.452 2.970 20 30 EFEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000172816230 473688059 /nfs/dbraw/zinc/68/80/59/473688059.db2.gz IUZXTROWGBWBHQ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1O ZINC000179483952 473690267 /nfs/dbraw/zinc/69/02/67/473690267.db2.gz QKRSGCXXDXTMRI-UHFFFAOYSA-N -1 0 341.386 2.607 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(F)cc3C)nn2)n1 ZINC000179486023 473690682 /nfs/dbraw/zinc/69/06/82/473690682.db2.gz SKGLNCNMKDJIJL-GFCCVEGCSA-N -1 0 341.371 2.970 20 30 EFEDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000186650676 473714099 /nfs/dbraw/zinc/71/40/99/473714099.db2.gz YVMBNKQGEXYMOF-UHFFFAOYSA-N -1 0 340.792 2.693 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000245901144 473758542 /nfs/dbraw/zinc/75/85/42/473758542.db2.gz LDTKHNIAJPGUAJ-HRCADAONSA-N -1 0 346.452 2.970 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1[N+](=O)[O-] ZINC000193355857 473784418 /nfs/dbraw/zinc/78/44/18/473784418.db2.gz AUMBAEBGDUOIPK-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193358986 473784433 /nfs/dbraw/zinc/78/44/33/473784433.db2.gz DCEYOKVCCFPONS-UHFFFAOYSA-N -1 0 348.380 2.550 20 30 EFEDRM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000187076350 473814141 /nfs/dbraw/zinc/81/41/41/473814141.db2.gz KHIDUZWOFBBXGW-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000281754733 473827922 /nfs/dbraw/zinc/82/79/22/473827922.db2.gz KAFLXEDXUIMKGX-FNHZYXHNSA-N -1 0 331.412 2.516 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccccc2[nH]c1=O ZINC000194084732 473839057 /nfs/dbraw/zinc/83/90/57/473839057.db2.gz YEJDOANUBCBCDT-CQSZACIVSA-N -1 0 342.358 2.905 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccccc2[nH]c1=O ZINC000194084713 473840227 /nfs/dbraw/zinc/84/02/27/473840227.db2.gz YEJDOANUBCBCDT-AWEZNQCLSA-N -1 0 342.358 2.905 20 30 EFEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2ccccc2[nH]1 ZINC000194087952 473841177 /nfs/dbraw/zinc/84/11/77/473841177.db2.gz RKCARPXWLGSDQR-CYBMUJFWSA-N -1 0 328.331 2.894 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000281985373 473907473 /nfs/dbraw/zinc/90/74/73/473907473.db2.gz MIRGVRDCLLGHQZ-UHFFFAOYSA-N -1 0 331.397 2.692 20 30 EFEDRM CC(C)c1nnc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cn21 ZINC000187782995 473921578 /nfs/dbraw/zinc/92/15/78/473921578.db2.gz ZTZBQZDUSYXPJX-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000194804021 473955408 /nfs/dbraw/zinc/95/54/08/473955408.db2.gz DEJPBUANXDHYQW-UHFFFAOYSA-N -1 0 340.792 2.738 20 30 EFEDRM C=CC1CCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])CC1 ZINC000181065451 474002746 /nfs/dbraw/zinc/00/27/46/474002746.db2.gz GPFLGLZQQVXRCP-UHFFFAOYSA-N -1 0 327.384 2.625 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cccc2ccccc12 ZINC000181260717 474019822 /nfs/dbraw/zinc/01/98/22/474019822.db2.gz VLMJSNKKRLONMO-ZHACJKMWSA-N -1 0 328.393 2.603 20 30 EFEDRM COC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000188435719 474094213 /nfs/dbraw/zinc/09/42/13/474094213.db2.gz CKBJPRFJASLNTN-UHFFFAOYSA-N -1 0 330.727 2.956 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000182218528 474126145 /nfs/dbraw/zinc/12/61/45/474126145.db2.gz ASGKNVMOZXGXSW-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000212946741 474132357 /nfs/dbraw/zinc/13/23/57/474132357.db2.gz WXZWTMBCRHEYIS-UHFFFAOYSA-N -1 0 329.805 2.686 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1O ZINC000188832507 474210920 /nfs/dbraw/zinc/21/09/20/474210920.db2.gz COMWEIGHQMCHFX-KRWDZBQOSA-N -1 0 344.317 2.756 20 30 EFEDRM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)O1 ZINC000188975215 474251200 /nfs/dbraw/zinc/25/12/00/474251200.db2.gz FYBNIEWAUYWBNO-ZWKOTPCHSA-N -1 0 335.359 2.657 20 30 EFEDRM COCCCn1nccc1/C=C1\CCc2oc(C(=O)[O-])c(C)c2C1=O ZINC000283090246 474299480 /nfs/dbraw/zinc/29/94/80/474299480.db2.gz UUGPGJHEWOEHBE-ZRDIBKRKSA-N -1 0 344.367 2.732 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c(C)o1 ZINC000183117374 474331469 /nfs/dbraw/zinc/33/14/69/474331469.db2.gz CNTGPWLTJGZHSF-UHFFFAOYSA-N -1 0 335.385 2.775 20 30 EFEDRM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nc2ccccc2o1 ZINC000183516421 474389104 /nfs/dbraw/zinc/38/91/04/474389104.db2.gz UVWSESDPFDYEOQ-UONOGXRCSA-N -1 0 349.346 2.881 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)nn1CCC#N ZINC000271080971 474399300 /nfs/dbraw/zinc/39/93/00/474399300.db2.gz RKYOBYQGAVTGBJ-UHFFFAOYSA-N -1 0 336.392 2.662 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1 ZINC000608927405 480104778 /nfs/dbraw/zinc/10/47/78/480104778.db2.gz LJJIWTRUHPVWER-UHFFFAOYSA-N -1 0 336.442 2.628 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC(C)(C)c2cccc(Cl)c2F)[n-]1 ZINC000613772731 480107339 /nfs/dbraw/zinc/10/73/39/480107339.db2.gz IASBMDDAAFORIV-UHFFFAOYSA-N -1 0 335.770 2.563 20 30 EFEDRM Cn1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC000237890966 474495421 /nfs/dbraw/zinc/49/54/21/474495421.db2.gz RJRGYEIRAZSNAG-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000189899436 474502032 /nfs/dbraw/zinc/50/20/32/474502032.db2.gz DSCIJSYXXNNOGY-UHFFFAOYSA-N -1 0 346.390 2.996 20 30 EFEDRM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000241586447 474555191 /nfs/dbraw/zinc/55/51/91/474555191.db2.gz OWBZNBODASMTCA-GFCCVEGCSA-N -1 0 325.372 2.668 20 30 EFEDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2O1 ZINC000290460544 474572181 /nfs/dbraw/zinc/57/21/81/474572181.db2.gz FGMMNRWCWQAGAF-MRXNPFEDSA-N -1 0 345.380 2.651 20 30 EFEDRM C=CC[C@H]1N(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCCC1(C)C ZINC000277918578 474598082 /nfs/dbraw/zinc/59/80/82/474598082.db2.gz HFOSWEVSPMUSJH-CYBMUJFWSA-N -1 0 342.399 2.643 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000272181478 474604476 /nfs/dbraw/zinc/60/44/76/474604476.db2.gz SSDWRZAGGLIUMF-CYBMUJFWSA-N -1 0 334.363 2.773 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)ccc1C#N ZINC000278317920 474608056 /nfs/dbraw/zinc/60/80/56/474608056.db2.gz FVGIVBSLBJJPGW-UHFFFAOYSA-N -1 0 334.401 2.639 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C)c1 ZINC000184841329 474617617 /nfs/dbraw/zinc/61/76/17/474617617.db2.gz CTYJNDICQFEKEI-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000184846065 474618902 /nfs/dbraw/zinc/61/89/02/474618902.db2.gz RNAQHQNUSACKBQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H]2CCO[C@H](c3ccncc3)C2)s1 ZINC000629085669 480119571 /nfs/dbraw/zinc/11/95/71/480119571.db2.gz ALEXOXJQBMDFEK-STQMWFEESA-N -1 0 334.470 2.965 20 30 EFEDRM CCOc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)ccc1O ZINC000252636086 474701742 /nfs/dbraw/zinc/70/17/42/474701742.db2.gz XDQHVQRTGOYWNW-UHFFFAOYSA-N -1 0 332.307 2.572 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1Cl ZINC000340840405 474707675 /nfs/dbraw/zinc/70/76/75/474707675.db2.gz DPYAVBFPSUNXKQ-UHFFFAOYSA-N -1 0 339.760 2.564 20 30 EFEDRM COC(=O)c1ccoc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000340892503 474756075 /nfs/dbraw/zinc/75/60/75/474756075.db2.gz KEPVMPJZILEFOT-UHFFFAOYSA-N -1 0 331.372 2.770 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccnc(NC(=O)C(C)C)c2)n1 ZINC000344627240 474772564 /nfs/dbraw/zinc/77/25/64/474772564.db2.gz DBOZYZFAMLACRM-GFCCVEGCSA-N -1 0 328.397 2.931 20 30 EFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000337197208 474775166 /nfs/dbraw/zinc/77/51/66/474775166.db2.gz WXRVTPDDKMSYBC-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000340925875 474785530 /nfs/dbraw/zinc/78/55/30/474785530.db2.gz QOYNPYHRSQQCKS-UHFFFAOYSA-N -1 0 346.408 2.904 20 30 EFEDRM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000344811276 474793639 /nfs/dbraw/zinc/79/36/39/474793639.db2.gz UZNBAIQTNIZZHW-GFCCVEGCSA-N -1 0 349.437 2.581 20 30 EFEDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)n1 ZINC000340955277 474815808 /nfs/dbraw/zinc/81/58/08/474815808.db2.gz DOEPZQDLZOXFFQ-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307973056 474815777 /nfs/dbraw/zinc/81/57/77/474815777.db2.gz ZTNIKYCAUWIQTE-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1 ZINC000344954944 474818302 /nfs/dbraw/zinc/81/83/02/474818302.db2.gz YNTYHCZHNQFJMI-LBPRGKRZSA-N -1 0 335.319 2.890 20 30 EFEDRM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000345003473 474823935 /nfs/dbraw/zinc/82/39/35/474823935.db2.gz WCJLSSOXAJKGDZ-UHFFFAOYSA-N -1 0 338.326 2.851 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000340969952 474833081 /nfs/dbraw/zinc/83/30/81/474833081.db2.gz VPFLUHCHJPZNPR-UHFFFAOYSA-N -1 0 341.270 2.843 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c(C)c1C ZINC000340981335 474844140 /nfs/dbraw/zinc/84/41/40/474844140.db2.gz QAFWXVCYIVEQNA-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000316738315 474881573 /nfs/dbraw/zinc/88/15/73/474881573.db2.gz WXGPEYJBJBZGRS-UHFFFAOYSA-N -1 0 340.357 2.566 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000339069933 474898234 /nfs/dbraw/zinc/89/82/34/474898234.db2.gz AMNLIFWKDLEOFX-UHFFFAOYSA-N -1 0 339.804 2.683 20 30 EFEDRM Cc1n[n-]c(=NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000339069377 474898431 /nfs/dbraw/zinc/89/84/31/474898431.db2.gz DLZCZWAXVTYQSO-UHFFFAOYSA-N -1 0 329.429 2.830 20 30 EFEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cncc(C#N)c3)sc2c1 ZINC000319625297 474903269 /nfs/dbraw/zinc/90/32/69/474903269.db2.gz JCJDJOHFTBIRPB-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2c(F)c(F)cc(F)c2F)[n-]1 ZINC000345162246 474949779 /nfs/dbraw/zinc/94/97/79/474949779.db2.gz KGCRWDFXJGQMEY-UHFFFAOYSA-N -1 0 326.253 2.566 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)ccc1C#N ZINC000323680772 474953269 /nfs/dbraw/zinc/95/32/69/474953269.db2.gz HAAVBQMGOUCMSO-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000323873997 474957912 /nfs/dbraw/zinc/95/79/12/474957912.db2.gz BAZVREYJUOWNRI-UHFFFAOYSA-N -1 0 339.457 2.874 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000257353714 474967109 /nfs/dbraw/zinc/96/71/09/474967109.db2.gz SSYLUXGUUQGTTK-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000293444842 474982692 /nfs/dbraw/zinc/98/26/92/474982692.db2.gz XCZDLGSKCSXLBW-OLZOCXBDSA-N -1 0 349.456 2.971 20 30 EFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000261601443 474988934 /nfs/dbraw/zinc/98/89/34/474988934.db2.gz BKHLWFFUEWWDEH-AWEZNQCLSA-N -1 0 341.289 2.906 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C1CC1 ZINC000279819856 474994454 /nfs/dbraw/zinc/99/44/54/474994454.db2.gz AWOGIVOXTZIQFX-UHFFFAOYSA-N -1 0 330.413 2.647 20 30 EFEDRM COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C(=O)[O-])c1 ZINC000327554180 475023210 /nfs/dbraw/zinc/02/32/10/475023210.db2.gz XSWHLQOZQVUZNT-LLVKDONJSA-N -1 0 340.335 2.671 20 30 EFEDRM C=CCc1ccc(OCC(=O)N=c2ccc(C3CC3)n[n-]2)c(OC)c1 ZINC000341201532 475026821 /nfs/dbraw/zinc/02/68/21/475026821.db2.gz WXIDQSNQVPLETE-UHFFFAOYSA-N -1 0 339.395 2.531 20 30 EFEDRM CC1(C)C[C@@]1(C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000292436973 475028307 /nfs/dbraw/zinc/02/83/07/475028307.db2.gz JKPBXPPZGAEZHU-INIZCTEOSA-N -1 0 330.775 2.653 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000339200496 475034082 /nfs/dbraw/zinc/03/40/82/475034082.db2.gz NQXORCNCWUNXMI-UKRRQHHQSA-N -1 0 327.384 2.841 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000280812466 475050587 /nfs/dbraw/zinc/05/05/87/475050587.db2.gz MIKGHVQHTMAKEI-LTBMOJJQSA-N -1 0 345.395 2.643 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)NCc2ccc(OC3CCCC3)cc2)o1 ZINC000286777708 475080965 /nfs/dbraw/zinc/08/09/65/475080965.db2.gz FZBSQWWLNQPAMK-UHFFFAOYSA-N -1 0 346.408 2.951 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000268943455 475085123 /nfs/dbraw/zinc/08/51/23/475085123.db2.gz GMDUBMDNXMCQQP-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC(C)n1cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)nn1 ZINC000286980973 475088509 /nfs/dbraw/zinc/08/85/09/475088509.db2.gz CPZQRFOJUWGAHB-JXMROGBWSA-N -1 0 343.383 2.999 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1C#N ZINC000329646495 475105405 /nfs/dbraw/zinc/10/54/05/475105405.db2.gz IWSPWRMNGDYHHF-ZDUSSCGKSA-N -1 0 329.425 2.785 20 30 EFEDRM Cc1sc2ncc(/C([O-])=N/C[C@@H]3CCCCS3)c(=O)n2c1C ZINC000329660409 475107600 /nfs/dbraw/zinc/10/76/00/475107600.db2.gz ONLBCHZHQYJHFW-NSHDSACASA-N -1 0 337.470 2.963 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cs1 ZINC000345383137 475145152 /nfs/dbraw/zinc/14/51/52/475145152.db2.gz UJULUTYYTGLUNL-SNVBAGLBSA-N -1 0 339.380 2.776 20 30 EFEDRM Cc1n[n-]c(=NC(=O)c2ccc(Sc3ccccc3C#N)cc2)n1C ZINC000345390213 475151571 /nfs/dbraw/zinc/15/15/71/475151571.db2.gz CZGNCYBBWJLPFR-UHFFFAOYSA-N -1 0 349.419 2.821 20 30 EFEDRM CO[C@@H]1CC[C@H](NC(=O)N=c2nc(-c3sccc3C)[n-]s2)C1 ZINC000329897264 475158648 /nfs/dbraw/zinc/15/86/48/475158648.db2.gz CUKCKEICTHPHCY-VHSXEESVSA-N -1 0 338.458 2.890 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2CCCOC2)s[n-]1 ZINC000329974248 475177276 /nfs/dbraw/zinc/17/72/76/475177276.db2.gz XENWXOVCWZLDJU-SNVBAGLBSA-N -1 0 338.458 2.749 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nc1 ZINC000345430326 475185158 /nfs/dbraw/zinc/18/51/58/475185158.db2.gz RIDAXSMAZTXUIE-CYBMUJFWSA-N -1 0 348.362 2.933 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000341657736 475210068 /nfs/dbraw/zinc/21/00/68/475210068.db2.gz NIPKKHULWZMLBQ-LLVKDONJSA-N -1 0 338.738 2.831 20 30 EFEDRM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1csc(NC2CC2)n1 ZINC000330244402 475217585 /nfs/dbraw/zinc/21/75/85/475217585.db2.gz XFEAYJPENIKKMK-OCCSQVGLSA-N -1 0 331.445 2.824 20 30 EFEDRM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000330310207 475225379 /nfs/dbraw/zinc/22/53/79/475225379.db2.gz UTXPXWZTZXPZNL-JSGCOSHPSA-N -1 0 336.432 2.625 20 30 EFEDRM CC[C@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)C1CCOCC1 ZINC000330958115 475295328 /nfs/dbraw/zinc/29/53/28/475295328.db2.gz IIFYKOPHWHGMGA-QMMMGPOBSA-N -1 0 338.355 2.510 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000347406855 475303577 /nfs/dbraw/zinc/30/35/77/475303577.db2.gz DUYWFIQGZGPCRL-SFHVURJKSA-N -1 0 347.374 2.660 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)cc1C#N ZINC000331118607 475312287 /nfs/dbraw/zinc/31/22/87/475312287.db2.gz NJWCHWUDFQOFPZ-KGLIPLIRSA-N -1 0 349.456 2.704 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)cc1C#N ZINC000331118608 475313392 /nfs/dbraw/zinc/31/33/92/475313392.db2.gz NJWCHWUDFQOFPZ-UONOGXRCSA-N -1 0 349.456 2.704 20 30 EFEDRM CCN=c1[n-]nc(SCc2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000357990288 475315383 /nfs/dbraw/zinc/31/53/83/475315383.db2.gz ORVICOWZHQUMOP-UHFFFAOYSA-N -1 0 344.425 2.606 20 30 EFEDRM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000331189210 475319333 /nfs/dbraw/zinc/31/93/33/475319333.db2.gz OUXOVKONEAMRLF-MNOVXSKESA-N -1 0 326.466 2.645 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NC[C@@](C)(O)C2CCCCC2)s[n-]1 ZINC000331180144 475319480 /nfs/dbraw/zinc/31/94/80/475319480.db2.gz RIBVEBOATQJFJH-MRXNPFEDSA-N -1 0 340.493 2.915 20 30 EFEDRM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])N1CCCCC1=O ZINC000331224063 475323669 /nfs/dbraw/zinc/32/36/69/475323669.db2.gz CQYCQTCVQNLGCI-VIFPVBQESA-N -1 0 328.771 2.890 20 30 EFEDRM CC1(C)CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@H]1C#N ZINC000331219533 475324599 /nfs/dbraw/zinc/32/45/99/475324599.db2.gz SURBYPNIUIYFCA-HNNXBMFYSA-N -1 0 342.374 2.871 20 30 EFEDRM CCOC(=O)c1[n-]c(=NC(=O)N2CCC[C@@H]2CC)sc1C(C)=O ZINC000331290702 475334502 /nfs/dbraw/zinc/33/45/02/475334502.db2.gz BEMBYSNZWAGKNR-JTQLQIEISA-N -1 0 339.417 2.942 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCC(C)C)[nH]n1 ZINC000345674658 475356503 /nfs/dbraw/zinc/35/65/03/475356503.db2.gz JKMZUJJRIPHWHO-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000345782654 475447818 /nfs/dbraw/zinc/44/78/18/475447818.db2.gz RBQKQPCTFWYBRT-INIZCTEOSA-N -1 0 326.327 2.838 20 30 EFEDRM C=CCOc1cccnc1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000341962730 475454323 /nfs/dbraw/zinc/45/43/23/475454323.db2.gz BASKSZCSLBPNKS-UHFFFAOYSA-N -1 0 332.363 2.778 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)c2cccc(SCC#N)c2)s[n-]1 ZINC000338026933 475520794 /nfs/dbraw/zinc/52/07/94/475520794.db2.gz HZSISPHIYIALKX-VIFPVBQESA-N -1 0 334.426 2.535 20 30 EFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C#N ZINC000361530104 475523014 /nfs/dbraw/zinc/52/30/14/475523014.db2.gz YPPWAHVJYQVIOS-UHFFFAOYSA-N -1 0 347.444 2.545 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345874198 475527213 /nfs/dbraw/zinc/52/72/13/475527213.db2.gz NXVFYKIORWBQAH-OAHLLOKOSA-N -1 0 328.755 2.962 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccccc3)cc1[O-])CC2 ZINC000339826585 475539383 /nfs/dbraw/zinc/53/93/83/475539383.db2.gz REKNHOUWZFMSPU-UHFFFAOYSA-N -1 0 330.347 2.652 20 30 EFEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332205798 475557147 /nfs/dbraw/zinc/55/71/47/475557147.db2.gz SSQGTSCCZKKPSP-MFKMUULPSA-N -1 0 330.775 2.653 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(OC)ccc1O ZINC000342390204 475593231 /nfs/dbraw/zinc/59/32/31/475593231.db2.gz BRZGSPFLUBFONC-UHFFFAOYSA-N -1 0 331.368 2.705 20 30 EFEDRM N#CCCN(CC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000346433938 475600988 /nfs/dbraw/zinc/60/09/88/475600988.db2.gz AJUQQSLHSWRWIR-UHFFFAOYSA-N -1 0 348.346 2.725 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3cccc(C#N)c3)n2)nc(C)n1 ZINC000342631151 475620823 /nfs/dbraw/zinc/62/08/23/475620823.db2.gz KRVURJKRDYGHPY-INIZCTEOSA-N -1 0 342.362 2.641 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccn(-c3cccc(C#N)c3)n2)n1 ZINC000342635987 475621628 /nfs/dbraw/zinc/62/16/28/475621628.db2.gz RIIXIHQPHBNRBA-CQSZACIVSA-N -1 0 333.376 2.999 20 30 EFEDRM Cn1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000338147807 475627248 /nfs/dbraw/zinc/62/72/48/475627248.db2.gz QUFCECJXRGLPOX-SECBINFHSA-N -1 0 338.245 2.837 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c2c[nH]nc21 ZINC000361650208 475630408 /nfs/dbraw/zinc/63/04/08/475630408.db2.gz MTHVKAALIHOZAI-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1nn(-c3cccc(F)c3)cc1[O-])CC2 ZINC000339959836 475642298 /nfs/dbraw/zinc/64/22/98/475642298.db2.gz JCFDCOZBMSXWFK-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000352931386 475668439 /nfs/dbraw/zinc/66/84/39/475668439.db2.gz PQIRVNUSAXMOSW-UHFFFAOYSA-N -1 0 348.413 2.635 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(C)cc1C ZINC000358500519 475728904 /nfs/dbraw/zinc/72/89/04/475728904.db2.gz VFQYSNCVNUSSIQ-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000361770985 475737779 /nfs/dbraw/zinc/73/77/79/475737779.db2.gz HSBVHLWFEQLRJA-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2c1 ZINC000343092268 475760744 /nfs/dbraw/zinc/76/07/44/475760744.db2.gz ADOOOFLSXDXYMQ-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM CC[C@@H](C(=O)N=c1[n-]n(C(C)C)cc1C#N)c1ccc(OC)cc1 ZINC000361914824 475863960 /nfs/dbraw/zinc/86/39/60/475863960.db2.gz RKRUMJZSGRURGQ-MRXNPFEDSA-N -1 0 326.400 2.898 20 30 EFEDRM C=CCOc1cccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000348896408 475880606 /nfs/dbraw/zinc/88/06/06/475880606.db2.gz VAHZRPUWTRVRFG-UHFFFAOYSA-N -1 0 337.335 2.847 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)nn1CCC#N ZINC000348905246 475880915 /nfs/dbraw/zinc/88/09/15/475880915.db2.gz BNNDKGSQGVBHRM-UHFFFAOYSA-N -1 0 347.425 2.516 20 30 EFEDRM C[C@@H]1CC(CCNS(=O)(=O)c2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000338424231 475891618 /nfs/dbraw/zinc/89/16/18/475891618.db2.gz MVQXLFCWNAGENK-VXGBXAGGSA-N -1 0 340.420 2.569 20 30 EFEDRM CC(=O)c1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c(F)c1 ZINC000346859267 475918653 /nfs/dbraw/zinc/91/86/53/475918653.db2.gz YXXNERCXPSUFPS-UHFFFAOYSA-N -1 0 328.347 2.526 20 30 EFEDRM Cc1sc(CNS(=O)(=O)CC2(C#N)CCC2)nc1C(C)C ZINC000349625820 475980784 /nfs/dbraw/zinc/98/07/84/475980784.db2.gz HUCXXWDFVDFUGI-UHFFFAOYSA-N -1 0 327.475 2.688 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000362133305 476022071 /nfs/dbraw/zinc/02/20/71/476022071.db2.gz IUHFOMHSIGVHFZ-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM Cc1nc(=NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s[n-]1 ZINC000362137556 476025017 /nfs/dbraw/zinc/02/50/17/476025017.db2.gz JDSUAAKPJXNYIK-UHFFFAOYSA-N -1 0 340.364 2.564 20 30 EFEDRM Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000350129152 476061758 /nfs/dbraw/zinc/06/17/58/476061758.db2.gz ZPXRATLWLYKOPT-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2S[C@@H](C)C(N)=O)n1 ZINC000338620811 476061743 /nfs/dbraw/zinc/06/17/43/476061743.db2.gz AFPKPQBCRPMLRK-CMPLNLGQSA-N -1 0 345.449 2.908 20 30 EFEDRM CCc1oc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C(=O)OC ZINC000338627448 476062881 /nfs/dbraw/zinc/06/28/81/476062881.db2.gz WSCPPLAGBLCEKV-LLVKDONJSA-N -1 0 337.335 2.995 20 30 EFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355835085 476063784 /nfs/dbraw/zinc/06/37/84/476063784.db2.gz QRPIMJILLOUOHT-UHFFFAOYSA-N -1 0 335.316 2.601 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1C(=O)[O-] ZINC000355841158 476065811 /nfs/dbraw/zinc/06/58/11/476065811.db2.gz ZQLRRQVKQDVKQH-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355848037 476066478 /nfs/dbraw/zinc/06/64/78/476066478.db2.gz WFLMDZQAMFEKHJ-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nc2ccccc2o1 ZINC000353554462 476072961 /nfs/dbraw/zinc/07/29/61/476072961.db2.gz KTJURXALWIKCCN-CYBMUJFWSA-N -1 0 348.362 2.882 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000338688043 476113166 /nfs/dbraw/zinc/11/31/66/476113166.db2.gz MJQKQMGTDXLQAN-HNNXBMFYSA-N -1 0 348.362 2.540 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000336873386 476156587 /nfs/dbraw/zinc/15/65/87/476156587.db2.gz SPCQCEYVKKCOHV-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000357018372 476160194 /nfs/dbraw/zinc/16/01/94/476160194.db2.gz SCTXLNONJXFWKK-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000357023602 476164688 /nfs/dbraw/zinc/16/46/88/476164688.db2.gz CRXVPGNEXXHYJE-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccn(Cc3ccccc3)c2)[n-]1 ZINC000359072374 476165087 /nfs/dbraw/zinc/16/50/87/476165087.db2.gz YDZCASIXIOVNFW-UHFFFAOYSA-N -1 0 333.395 2.860 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1F ZINC000350515944 476225897 /nfs/dbraw/zinc/22/58/97/476225897.db2.gz PBFJZRAIAUIEOF-UHFFFAOYSA-N -1 0 349.343 2.969 20 30 EFEDRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)n1 ZINC000340727097 476235760 /nfs/dbraw/zinc/23/57/60/476235760.db2.gz VJCKQZUIOHNOPR-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(F)cc2F)cc1C#N ZINC000353786032 476271140 /nfs/dbraw/zinc/27/11/40/476271140.db2.gz KUYYVMYAPHEEOC-UHFFFAOYSA-N -1 0 335.335 2.589 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)c1C#N ZINC000357167961 476273436 /nfs/dbraw/zinc/27/34/36/476273436.db2.gz UKBMCPYRIHHXNU-UHFFFAOYSA-N -1 0 348.410 2.883 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Cl)c(Br)c2)c1C#N ZINC000357178724 476278967 /nfs/dbraw/zinc/27/89/67/476278967.db2.gz OWEGMICKNMSEAV-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM CO[C@H](C)c1nc(=NC(=O)N[C@H](CCC#N)c2ccccc2)s[n-]1 ZINC000350717364 476293858 /nfs/dbraw/zinc/29/38/58/476293858.db2.gz RKOADMKLDNBZTB-DGCLKSJQSA-N -1 0 345.428 2.834 20 30 EFEDRM C=CCn1c(-c2ccc3ccccc3n2)n[n-]c1=Nc1cnn(C)c1 ZINC000350751560 476296754 /nfs/dbraw/zinc/29/67/54/476296754.db2.gz FSPIUCVZSCDGMT-UHFFFAOYSA-N -1 0 331.383 2.578 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1 ZINC000360320746 476298607 /nfs/dbraw/zinc/29/86/07/476298607.db2.gz WJUZFHBQTHCYFK-GFCCVEGCSA-N -1 0 348.284 2.944 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(OC3CCC3)cc2Cl)c1C#N ZINC000357241024 476301540 /nfs/dbraw/zinc/30/15/40/476301540.db2.gz JSRMLLUTZVDEOG-UHFFFAOYSA-N -1 0 330.775 2.849 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000360413754 476301782 /nfs/dbraw/zinc/30/17/82/476301782.db2.gz YVXBQEUEKURXOP-UHFFFAOYSA-N -1 0 330.363 2.777 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2coc(-c3ccccc3Cl)n2)c1C#N ZINC000357246994 476304057 /nfs/dbraw/zinc/30/40/57/476304057.db2.gz ANDCJXRRUANVMY-UHFFFAOYSA-N -1 0 327.731 2.572 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(F)c(C(F)(F)F)cc2F)c1C#N ZINC000357248379 476304151 /nfs/dbraw/zinc/30/41/51/476304151.db2.gz VXCSYZHBTNVAMD-UHFFFAOYSA-N -1 0 330.216 2.561 20 30 EFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000350873395 476308795 /nfs/dbraw/zinc/30/87/95/476308795.db2.gz YLSBUKPHSFKUDE-UHFFFAOYSA-N -1 0 346.408 2.708 20 30 EFEDRM COc1cc(Cl)c(Cl)cc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000357267048 476309342 /nfs/dbraw/zinc/30/93/42/476309342.db2.gz ZKMYFGXZAYVUFV-UHFFFAOYSA-N -1 0 325.155 2.579 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2ccc(Br)cc2)c1C#N ZINC000357266535 476309449 /nfs/dbraw/zinc/30/94/49/476309449.db2.gz XTSDPAVAVVTMHP-MRVPVSSYSA-N -1 0 333.189 2.516 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000357309008 476325154 /nfs/dbraw/zinc/32/51/54/476325154.db2.gz FGTRKIIECAVKQV-UHFFFAOYSA-N -1 0 341.352 2.813 20 30 EFEDRM CSc1ccccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000362652639 476341680 /nfs/dbraw/zinc/34/16/80/476341680.db2.gz AHGIDUZVSXAKTI-UHFFFAOYSA-N -1 0 334.426 2.681 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n[nH]c1C1CC1 ZINC000362661164 476343853 /nfs/dbraw/zinc/34/38/53/476343853.db2.gz CKNPOAPXSDLGFX-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000357369396 476348024 /nfs/dbraw/zinc/34/80/24/476348024.db2.gz KPWZUXIRAOFQIN-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000357389528 476353677 /nfs/dbraw/zinc/35/36/77/476353677.db2.gz OGNZOYMFAOAGDB-UHFFFAOYSA-N -1 0 341.270 2.843 20 30 EFEDRM Cc1cc2sc([N-]S(=O)(=O)c3cncc(C#N)c3)nc2c(C)c1 ZINC000357394997 476357235 /nfs/dbraw/zinc/35/72/35/476357235.db2.gz WRXOXOJHKJIWOP-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000351218349 476366658 /nfs/dbraw/zinc/36/66/58/476366658.db2.gz SBQCEHGGYGEYTA-SECBINFHSA-N -1 0 335.820 2.904 20 30 EFEDRM COc1ccc2c(c1OC)O/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C2=O ZINC000369046078 476386854 /nfs/dbraw/zinc/38/68/54/476386854.db2.gz CXUMCECRJGGUCD-ZSOIEALJSA-N -1 0 343.291 2.934 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc12 ZINC000357460757 476398597 /nfs/dbraw/zinc/39/85/97/476398597.db2.gz BMMPGUIVJONIER-UHFFFAOYSA-N -1 0 346.343 2.597 20 30 EFEDRM N#CC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCC1 ZINC000363482046 476403826 /nfs/dbraw/zinc/40/38/26/476403826.db2.gz MRWXNKGCHCORDA-UHFFFAOYSA-N -1 0 337.379 2.835 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000357522235 476430602 /nfs/dbraw/zinc/43/06/02/476430602.db2.gz BZTLRMOPMUZEIR-VIFPVBQESA-N -1 0 333.442 2.826 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cn1 ZINC000357537470 476439736 /nfs/dbraw/zinc/43/97/36/476439736.db2.gz SOOPHSKUWFWJAX-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000357539734 476440972 /nfs/dbraw/zinc/44/09/72/476440972.db2.gz WUQKFYSOIVBUHW-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000361118649 476613754 /nfs/dbraw/zinc/61/37/54/476613754.db2.gz CJCCUSYGVRVKCJ-UHFFFAOYSA-N -1 0 344.295 2.562 20 30 EFEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1ccncn1 ZINC000354455920 476672058 /nfs/dbraw/zinc/67/20/58/476672058.db2.gz BQRXDGOGUYMYHP-SNVBAGLBSA-N -1 0 347.128 2.637 20 30 EFEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3ccncn3)c3c2CCC3)cc1 ZINC000354479035 476681307 /nfs/dbraw/zinc/68/13/07/476681307.db2.gz VOKDRWWMVAQZFK-MRXNPFEDSA-N -1 0 343.390 2.950 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1C#N ZINC000430062718 476746258 /nfs/dbraw/zinc/74/62/58/476746258.db2.gz VUPPNBKTWVMBMS-UHFFFAOYSA-N -1 0 349.174 2.837 20 30 EFEDRM C=C(CC)CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000452039983 476788612 /nfs/dbraw/zinc/78/86/12/476788612.db2.gz IEGSEXZBVYKHSN-UHFFFAOYSA-N -1 0 346.836 2.552 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000398092884 476868278 /nfs/dbraw/zinc/86/82/78/476868278.db2.gz YXYSSMXFVVIURT-ZDUSSCGKSA-N -1 0 341.429 2.563 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000430622469 476881225 /nfs/dbraw/zinc/88/12/25/476881225.db2.gz FIQZJMGCHZFHEW-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)ccc1C#N ZINC000446818543 476923451 /nfs/dbraw/zinc/92/34/51/476923451.db2.gz OFSVMJWUNOHYBB-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000408515080 476958161 /nfs/dbraw/zinc/95/81/61/476958161.db2.gz FAYJVVUTOOTPFJ-MRXNPFEDSA-N -1 0 348.402 2.995 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)s1 ZINC000431188482 476991791 /nfs/dbraw/zinc/99/17/91/476991791.db2.gz AHNZWXXXSSOMAN-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCSCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447495311 476998728 /nfs/dbraw/zinc/99/87/28/476998728.db2.gz INMJYQYYRDIHNM-UHFFFAOYSA-N -1 0 337.832 2.880 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cc3ccncc3s2)[n-]1 ZINC000410536963 477015790 /nfs/dbraw/zinc/01/57/90/477015790.db2.gz FCKWDVAUCOITDL-UHFFFAOYSA-N -1 0 325.397 2.794 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2c3ccccc3Oc3ccccc32)c1C#N ZINC000431450511 477032154 /nfs/dbraw/zinc/03/21/54/477032154.db2.gz FGXPSTJXCRUJFA-UHFFFAOYSA-N -1 0 330.347 2.888 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)c3c(F)cc(C#N)cc3F)[nH][n-]2)o1 ZINC000447801895 477058572 /nfs/dbraw/zinc/05/85/72/477058572.db2.gz FPOVODZKZQRVRS-UHFFFAOYSA-N -1 0 328.278 2.802 20 30 EFEDRM C=CCOc1cccnc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000431654679 477068843 /nfs/dbraw/zinc/06/88/43/477068843.db2.gz RXAVXMBZBIVMFF-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Br)cc2Cl)c1C#N ZINC000431696412 477077462 /nfs/dbraw/zinc/07/74/62/477077462.db2.gz YXYHADXHXKZUAB-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1C#N ZINC000431712040 477079477 /nfs/dbraw/zinc/07/94/77/477079477.db2.gz QFVSYGBSJIABOA-NWDGAFQWSA-N -1 0 345.200 2.516 20 30 EFEDRM COC(=O)c1cnc(C(=O)Nc2sc(C(C)(C)C)cc2C#N)cn1 ZINC000411007367 477089153 /nfs/dbraw/zinc/08/91/53/477089153.db2.gz MUOJLOFZHFSVOX-UHFFFAOYSA-N -1 0 344.396 2.746 20 30 EFEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccnc1 ZINC000416628532 477242643 /nfs/dbraw/zinc/24/26/43/477242643.db2.gz GLJAXKIKMKIPOR-UHFFFAOYSA-N -1 0 349.843 2.863 20 30 EFEDRM C=CCN=c1[n-]nc(SCC[C@H](C(=O)OC)c2ccccc2)s1 ZINC000424090954 477288640 /nfs/dbraw/zinc/28/86/40/477288640.db2.gz YNYMLNLECMEXJM-ZDUSSCGKSA-N -1 0 349.481 2.997 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1OC ZINC000424256269 477343798 /nfs/dbraw/zinc/34/37/98/477343798.db2.gz MKZUWCYIOBYBPA-BLLLJJGKSA-N -1 0 333.384 2.585 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)ccc1C#N ZINC000435717777 477356686 /nfs/dbraw/zinc/35/66/86/477356686.db2.gz RGQJSMLPNBFLIG-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435763431 477366927 /nfs/dbraw/zinc/36/69/27/477366927.db2.gz VRNDUVWXYXOQAL-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000416947297 477382663 /nfs/dbraw/zinc/38/26/63/477382663.db2.gz XVWDGPVINAAZOV-MRXNPFEDSA-N -1 0 347.440 2.545 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1nn([C@H](C)c2ccccc2)cc1C ZINC000416954832 477385676 /nfs/dbraw/zinc/38/56/76/477385676.db2.gz JAJJBQFORXFVKK-UKRRQHHQSA-N -1 0 332.429 2.845 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000416967927 477393546 /nfs/dbraw/zinc/39/35/46/477393546.db2.gz XVFNHBAEPVWWEM-LLVKDONJSA-N -1 0 340.355 2.503 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000371601364 477404736 /nfs/dbraw/zinc/40/47/36/477404736.db2.gz IETVKDUSAOMKHP-UHFFFAOYSA-N -1 0 342.376 2.633 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424473652 477419330 /nfs/dbraw/zinc/41/93/30/477419330.db2.gz QMSKJDWSYGRDAP-CYBMUJFWSA-N -1 0 333.388 2.825 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000436258011 477451138 /nfs/dbraw/zinc/45/11/38/477451138.db2.gz AIMQARLIXLCECB-QWHCGFSZSA-N -1 0 338.477 2.966 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000436258012 477451309 /nfs/dbraw/zinc/45/13/09/477451309.db2.gz AIMQARLIXLCECB-STQMWFEESA-N -1 0 338.477 2.966 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000455049618 477480860 /nfs/dbraw/zinc/48/08/60/477480860.db2.gz MMSJFIKNVNZNDC-NAISLTENSA-N -1 0 346.412 2.579 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000455148162 477520108 /nfs/dbraw/zinc/52/01/08/477520108.db2.gz AYASLNXVFIGHKT-AWEZNQCLSA-N -1 0 346.456 2.692 20 30 EFEDRM C=CCN(CCC#N)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000455168644 477528713 /nfs/dbraw/zinc/52/87/13/477528713.db2.gz AJPGBNAIOQTZNH-UHFFFAOYSA-N -1 0 343.412 2.569 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000436611559 477533707 /nfs/dbraw/zinc/53/37/07/477533707.db2.gz WQNDLEHBSKPUPU-UHFFFAOYSA-N -1 0 330.365 2.657 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000424962722 477575273 /nfs/dbraw/zinc/57/52/73/477575273.db2.gz ADEOOGPNSQTLDN-IONNQARKSA-N -1 0 327.153 2.716 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436828205 477604853 /nfs/dbraw/zinc/60/48/53/477604853.db2.gz PUVRKBPFZIURQV-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436845622 477609548 /nfs/dbraw/zinc/60/95/48/477609548.db2.gz DQKXSCLLODEORU-QMMMGPOBSA-N -1 0 329.169 2.916 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436845621 477609640 /nfs/dbraw/zinc/60/96/40/477609640.db2.gz DQKXSCLLODEORU-MRVPVSSYSA-N -1 0 329.169 2.916 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436973731 477653725 /nfs/dbraw/zinc/65/37/25/477653725.db2.gz UYVNMQNNGCWQEV-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM N#CCC1(O)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000436989532 477659089 /nfs/dbraw/zinc/65/90/89/477659089.db2.gz MNIWQVTXPHRHIX-UHFFFAOYSA-N -1 0 342.782 2.813 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cnn1-c1ccccc1F ZINC000377162878 477672332 /nfs/dbraw/zinc/67/23/32/477672332.db2.gz WBGGCDGRWWIZTH-UHFFFAOYSA-N -1 0 346.343 2.585 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2ccccc2n1C(F)F ZINC000437369370 477700635 /nfs/dbraw/zinc/70/06/35/477700635.db2.gz FBXWIYGQZRQJAE-MRVPVSSYSA-N -1 0 344.277 2.613 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1 ZINC000426520840 477713957 /nfs/dbraw/zinc/71/39/57/477713957.db2.gz FOPUKUPALIPCOX-NSHDSACASA-N -1 0 343.339 2.821 20 30 EFEDRM C=CCc1cc(CNCc2nc(C)c(C(=O)[O-])s2)cc(OC)c1O ZINC000426702285 477740213 /nfs/dbraw/zinc/74/02/13/477740213.db2.gz AHHKVWMLNWBYTO-UHFFFAOYSA-N -1 0 348.424 2.882 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c(Cl)c1 ZINC000450983327 477783970 /nfs/dbraw/zinc/78/39/70/477783970.db2.gz XPIHLPPVKXEZTR-UHFFFAOYSA-N -1 0 336.804 2.807 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(CC#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455958866 477790332 /nfs/dbraw/zinc/79/03/32/477790332.db2.gz WHYCIYUHDIYXFT-KDOFPFPSSA-N -1 0 336.391 2.814 20 30 EFEDRM N#CCCCCS(=O)(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000372493890 477798989 /nfs/dbraw/zinc/79/89/89/477798989.db2.gz APRKKDUSSLAIEE-NSHDSACASA-N -1 0 342.442 2.607 20 30 EFEDRM CC1(C)C(c2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)n[nH]2)C1(C)C ZINC000451056231 477804432 /nfs/dbraw/zinc/80/44/32/477804432.db2.gz OCDBFYPKFGZWTG-UHFFFAOYSA-N -1 0 345.428 2.627 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)c1 ZINC000451072774 477810029 /nfs/dbraw/zinc/81/00/29/477810029.db2.gz XVILCEDBNBCSAC-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM C=C(C)Cn1c(CCCc2cccs2)n[n-]c1=Nc1cnn(C)c1 ZINC000460935726 477868652 /nfs/dbraw/zinc/86/86/52/477868652.db2.gz WIXKENQSGRAVIK-UHFFFAOYSA-N -1 0 342.472 2.990 20 30 EFEDRM C=CCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000438690166 477877297 /nfs/dbraw/zinc/87/72/97/477877297.db2.gz DUGXNZXTHPHDOO-UHFFFAOYSA-N -1 0 346.412 2.572 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCCCNC(=O)OC(C)(C)C ZINC000494002666 477899513 /nfs/dbraw/zinc/89/95/13/477899513.db2.gz SJHHUSHREDOYQP-UHFFFAOYSA-N -1 0 337.376 2.706 20 30 EFEDRM CC(C)(c1n[n-]c(=NC(=O)N2CC(C)(C#N)C2)s1)c1ccccc1 ZINC000439027147 477921508 /nfs/dbraw/zinc/92/15/08/477921508.db2.gz IIDPLZZBZNNWIU-UHFFFAOYSA-N -1 0 341.440 2.663 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000532417217 477923896 /nfs/dbraw/zinc/92/38/96/477923896.db2.gz PXTGZSGERTWJEK-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000516371201 477927185 /nfs/dbraw/zinc/92/71/85/477927185.db2.gz JBKCZCDUQDVEQJ-UHFFFAOYSA-N -1 0 342.399 2.930 20 30 EFEDRM N#CCCOCCSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000558828544 477935363 /nfs/dbraw/zinc/93/53/63/477935363.db2.gz PHFNMOOFVLWQLW-UHFFFAOYSA-N -1 0 334.470 2.637 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000439246129 477948680 /nfs/dbraw/zinc/94/86/80/477948680.db2.gz KPZGMIOBBLYHCJ-UHFFFAOYSA-N -1 0 346.368 2.617 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@H](CN=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000494298921 477961271 /nfs/dbraw/zinc/96/12/71/477961271.db2.gz KXMWAWJIFSOEOO-GFCCVEGCSA-N -1 0 348.403 2.825 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccc(C(=O)[O-])cn2)CC1 ZINC000494298890 477961912 /nfs/dbraw/zinc/96/19/12/477961912.db2.gz KTYKGAMLLVSASH-UHFFFAOYSA-N -1 0 348.403 2.825 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(N2CCOC2=O)c1 ZINC000494299571 477962514 /nfs/dbraw/zinc/96/25/14/477962514.db2.gz NNGVZGCKOGABLN-UHFFFAOYSA-N -1 0 340.339 2.573 20 30 EFEDRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000559214717 477965393 /nfs/dbraw/zinc/96/53/93/477965393.db2.gz YTBSIDHCXQNOBD-UHFFFAOYSA-N -1 0 336.392 2.741 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000559251537 477968549 /nfs/dbraw/zinc/96/85/49/477968549.db2.gz WIAWQRPGPKOGJS-UHFFFAOYSA-N -1 0 330.793 2.720 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(OC)c1 ZINC000532694599 477972488 /nfs/dbraw/zinc/97/24/88/477972488.db2.gz QLRIVODVUAFFQV-HNNXBMFYSA-N -1 0 347.411 2.516 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000439626443 478008502 /nfs/dbraw/zinc/00/85/02/478008502.db2.gz QUUNPKMLDNMSAB-UHFFFAOYSA-N -1 0 333.417 2.568 20 30 EFEDRM C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C#N)cc1 ZINC000471970619 478012259 /nfs/dbraw/zinc/01/22/59/478012259.db2.gz YUQXNEMQCSOYOV-VIFPVBQESA-N -1 0 335.289 2.672 20 30 EFEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000421253936 478021304 /nfs/dbraw/zinc/02/13/04/478021304.db2.gz XUHBVWWYOJYBSJ-CQSZACIVSA-N -1 0 347.440 2.909 20 30 EFEDRM C=CCN=c1[n-]nc(S(=O)(=O)CC[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000479031320 478022650 /nfs/dbraw/zinc/02/26/50/478022650.db2.gz LYPKJDLEULBLEF-ITGUQSILSA-N -1 0 343.518 2.794 20 30 EFEDRM C=C(C)[C@H](NC(=O)N=c1[n-]nc2ccccn21)c1ccc(F)c(F)c1 ZINC000480553478 478025502 /nfs/dbraw/zinc/02/55/02/478025502.db2.gz QOVJRIHHSJKRFI-HNNXBMFYSA-N -1 0 343.337 2.868 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481567776 478026250 /nfs/dbraw/zinc/02/62/50/478026250.db2.gz BCBORADWYVXZAK-SECBINFHSA-N -1 0 335.820 2.904 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)s1 ZINC000487241614 478034313 /nfs/dbraw/zinc/03/43/13/478034313.db2.gz OCBMOVFYFVCBEM-UHFFFAOYSA-N -1 0 344.396 2.875 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2cnc(OC)c(Cl)c2)s1 ZINC000533091223 478034601 /nfs/dbraw/zinc/03/46/01/478034601.db2.gz SPTHHLOAQLHMQK-UHFFFAOYSA-N -1 0 328.850 2.907 20 30 EFEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NN=c1ccc(Cl)n[n-]1 ZINC000494659128 478036315 /nfs/dbraw/zinc/03/63/15/478036315.db2.gz MNSSDYNFVJECBA-SECBINFHSA-N -1 0 327.816 2.643 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000439943067 478052624 /nfs/dbraw/zinc/05/26/24/478052624.db2.gz IPAHOHYJMRAENQ-UHFFFAOYSA-N -1 0 337.788 2.718 20 30 EFEDRM N#C[C@H](C(=O)c1cnc(OCc2ccccc2)cn1)c1ccccn1 ZINC000429097434 478058715 /nfs/dbraw/zinc/05/87/15/478058715.db2.gz HAVGMRLXNXUXRU-HNNXBMFYSA-N -1 0 330.347 2.941 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3n[nH]c(=O)n3c2)n1 ZINC000534260459 478131835 /nfs/dbraw/zinc/13/18/35/478131835.db2.gz TYAPOOGPFCYETI-JTQLQIEISA-N -1 0 327.369 2.505 20 30 EFEDRM C=CCCS(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@]1(C)C(=O)[O-] ZINC000518056489 478140891 /nfs/dbraw/zinc/14/08/91/478140891.db2.gz VIHVUOINTYYPSF-NVXWUHKLSA-N -1 0 337.441 2.534 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429558991 478154836 /nfs/dbraw/zinc/15/48/36/478154836.db2.gz GENAGLBWYZXRBY-CYBMUJFWSA-N -1 0 334.335 2.543 20 30 EFEDRM CCOC(=O)N1CC[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000495343049 478176287 /nfs/dbraw/zinc/17/62/87/478176287.db2.gz QZJFMUFFGPDWHC-FQKZPNAISA-N -1 0 341.751 2.604 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000488765358 478182482 /nfs/dbraw/zinc/18/24/82/478182482.db2.gz MBJDXPCUOWHXOM-FPLPWBNLSA-N -1 0 326.381 2.963 20 30 EFEDRM COC(=O)N1CCC[C@H]([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000495475111 478205346 /nfs/dbraw/zinc/20/53/46/478205346.db2.gz WBNXGFYQMZKWLM-FAJFRMSXSA-N -1 0 335.360 2.586 20 30 EFEDRM CC(=NN=c1ccc(Cl)n[n-]1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495588209 478239012 /nfs/dbraw/zinc/23/90/12/478239012.db2.gz LKVBMOBCDOPYFT-NSHDSACASA-N -1 0 339.827 2.739 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c(F)c1 ZINC000536421718 478251054 /nfs/dbraw/zinc/25/10/54/478251054.db2.gz WVAXWBMTHNHPBA-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000562494682 478257274 /nfs/dbraw/zinc/25/72/74/478257274.db2.gz TYGYKCWZBNSOSN-UHFFFAOYSA-N -1 0 344.440 2.674 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000489962595 478294149 /nfs/dbraw/zinc/29/41/49/478294149.db2.gz PGCFKWOBOYDWMN-MRXNPFEDSA-N -1 0 325.324 2.857 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000537482480 478304876 /nfs/dbraw/zinc/30/48/76/478304876.db2.gz QLKKMNHMFMRJHB-UHFFFAOYSA-N -1 0 341.363 2.758 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)n1 ZINC000597350502 478307803 /nfs/dbraw/zinc/30/78/03/478307803.db2.gz KCHGCTQODCLTNH-HNNXBMFYSA-N -1 0 326.400 2.808 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3n(n2)CCCO3)s1 ZINC000570264921 478322186 /nfs/dbraw/zinc/32/21/86/478322186.db2.gz HHJSYZVVPOZKMJ-SNVBAGLBSA-N -1 0 330.413 2.910 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3n2CCCC3)c(Cl)c1 ZINC000562706699 478325491 /nfs/dbraw/zinc/32/54/91/478325491.db2.gz GITZDODGFREEIH-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM C=CCn1c(Cc2ccccc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000580008449 478350838 /nfs/dbraw/zinc/35/08/38/478350838.db2.gz LKDRZXIOWZULPO-UHFFFAOYSA-N -1 0 336.443 2.879 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)[n-]1 ZINC000590819291 478355652 /nfs/dbraw/zinc/35/56/52/478355652.db2.gz FHPFCLYSOTWSJX-RDJZCZTQSA-N -1 0 337.427 2.809 20 30 EFEDRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(CC#N)cc2)c1 ZINC000538473779 478360611 /nfs/dbraw/zinc/36/06/11/478360611.db2.gz ZYVJDNKCBYWUOC-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000580563871 478365944 /nfs/dbraw/zinc/36/59/44/478365944.db2.gz GPBWEDPGZQSTSX-UHFFFAOYSA-N -1 0 345.399 2.502 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(Cl)cc1OC)C(=O)[O-] ZINC000570492719 478370274 /nfs/dbraw/zinc/37/02/74/478370274.db2.gz XYGOOTQWCUNWHN-LBPRGKRZSA-N -1 0 326.780 2.567 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c1 ZINC000521175045 478370700 /nfs/dbraw/zinc/37/07/00/478370700.db2.gz GAWVBOMHBFDVGZ-MRXNPFEDSA-N -1 0 348.399 2.643 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000581229248 478375876 /nfs/dbraw/zinc/37/58/76/478375876.db2.gz WSYVUNNGQHRWAR-ZDUSSCGKSA-N -1 0 347.396 2.587 20 30 EFEDRM COc1ccc(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000562911302 478378346 /nfs/dbraw/zinc/37/83/46/478378346.db2.gz MAVZFOWBRVMQJG-NSHDSACASA-N -1 0 332.157 2.738 20 30 EFEDRM C=CCC[C@@H](NC(=O)N=c1nc2n([n-]1)CCCC2)c1ccccc1 ZINC000562926393 478381790 /nfs/dbraw/zinc/38/17/90/478381790.db2.gz HYNOIUXZDQOCAB-OAHLLOKOSA-N -1 0 325.416 2.865 20 30 EFEDRM N#CCc1ccnc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000538785640 478385360 /nfs/dbraw/zinc/38/53/60/478385360.db2.gz DQCVNJMCCORBMD-UHFFFAOYSA-N -1 0 332.157 2.868 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594529237 478426903 /nfs/dbraw/zinc/42/69/03/478426903.db2.gz PXGFENGMOUCVJY-LEWSCRJBSA-N -1 0 347.390 2.632 20 30 EFEDRM C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594526991 478427032 /nfs/dbraw/zinc/42/70/32/478427032.db2.gz ASYOOEAYYLFHOX-DDTOSNHZSA-N -1 0 347.390 2.632 20 30 EFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1ccc(C(F)(F)F)cn1 ZINC000527590928 478436476 /nfs/dbraw/zinc/43/64/76/478436476.db2.gz HFOGVRSYAYUYGD-VIFPVBQESA-N -1 0 337.257 2.651 20 30 EFEDRM CC1(C)C[C@]1(C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597670319 478457063 /nfs/dbraw/zinc/45/70/63/478457063.db2.gz QEEPZFLYHUNHOT-MRXNPFEDSA-N -1 0 330.775 2.653 20 30 EFEDRM C[C@@H](Cc1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1)C(=O)[O-] ZINC000582006280 478489162 /nfs/dbraw/zinc/48/91/62/478489162.db2.gz FOKVQAYPSOOPMI-LBPRGKRZSA-N -1 0 338.429 2.631 20 30 EFEDRM C=CCCSCCNC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000594689963 478495083 /nfs/dbraw/zinc/49/50/83/478495083.db2.gz CDSTWXVCRJOMRI-UHFFFAOYSA-N -1 0 340.420 2.731 20 30 EFEDRM N#CC1(CNC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)CCCCC1 ZINC000594691483 478496836 /nfs/dbraw/zinc/49/68/36/478496836.db2.gz UTOIPKKAFGTLDQ-LJQANCHMSA-N -1 0 341.411 2.686 20 30 EFEDRM COc1ccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1 ZINC000594690140 478496982 /nfs/dbraw/zinc/49/69/82/478496982.db2.gz FUVCCHYUNGOUBL-OAHLLOKOSA-N -1 0 345.399 2.594 20 30 EFEDRM CC(C)(C#N)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591269376 478503533 /nfs/dbraw/zinc/50/35/33/478503533.db2.gz AVALCUHQKBIXPP-UHFFFAOYSA-N -1 0 329.400 2.824 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000591270271 478503949 /nfs/dbraw/zinc/50/39/49/478503949.db2.gz XNCDCRBNXBSPRX-LBPRGKRZSA-N -1 0 335.791 2.608 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000597793852 478510488 /nfs/dbraw/zinc/51/04/88/478510488.db2.gz YUNUPRGWOZFXOJ-CMPLNLGQSA-N -1 0 330.775 2.653 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)c1 ZINC000594724419 478514968 /nfs/dbraw/zinc/51/49/68/478514968.db2.gz VTHZUIRRQKNKST-GFCCVEGCSA-N -1 0 348.428 2.753 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC000600800497 478526268 /nfs/dbraw/zinc/52/62/68/478526268.db2.gz MFLOBAVXTRKBAS-SMDDNHRTSA-N -1 0 325.368 2.662 20 30 EFEDRM CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000591338180 478528138 /nfs/dbraw/zinc/52/81/38/478528138.db2.gz SLEVVTVOIJPDLA-IRXDYDNUSA-N -1 0 337.427 2.904 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000571164445 478536296 /nfs/dbraw/zinc/53/62/96/478536296.db2.gz YLVLLDGFOQWDAT-OAGGEKHMSA-N -1 0 338.448 2.690 20 30 EFEDRM C=C(C)CS(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@]1(C)C(=O)[O-] ZINC000571288975 478562673 /nfs/dbraw/zinc/56/26/73/478562673.db2.gz LLSZXHQPDKESJL-DOTOQJQBSA-N -1 0 337.441 2.534 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000597901347 478565581 /nfs/dbraw/zinc/56/55/81/478565581.db2.gz UYMDWUHYTPCRQN-GFCCVEGCSA-N -1 0 344.802 2.997 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000597899963 478566028 /nfs/dbraw/zinc/56/60/28/478566028.db2.gz GORVWSWGOXFENE-LLVKDONJSA-N -1 0 346.337 2.622 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@H](CC#N)C3)n2)c1 ZINC000597904174 478566901 /nfs/dbraw/zinc/56/69/01/478566901.db2.gz PKAVHEHQVOFHDT-CYBMUJFWSA-N -1 0 342.374 2.791 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1[n-]nc(SCC)s1)c1ccc(F)cc1 ZINC000491556600 478587051 /nfs/dbraw/zinc/58/70/51/478587051.db2.gz YKECIUNXBVXPLT-LLVKDONJSA-N -1 0 336.417 2.707 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000600964573 478587957 /nfs/dbraw/zinc/58/79/57/478587957.db2.gz QWWJJYURTFQQHJ-YPMHNXCESA-N -1 0 332.404 2.689 20 30 EFEDRM C#C[C@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000491632370 478607293 /nfs/dbraw/zinc/60/72/93/478607293.db2.gz PSASHISVTATUTE-VIFPVBQESA-N -1 0 344.293 2.614 20 30 EFEDRM C#C[C@@H](NC(=O)N=c1[n-]nc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000491632368 478607598 /nfs/dbraw/zinc/60/75/98/478607598.db2.gz PSASHISVTATUTE-SECBINFHSA-N -1 0 344.293 2.614 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000591692004 478609190 /nfs/dbraw/zinc/60/91/90/478609190.db2.gz FVDBNNFDIRXFFU-ZDUSSCGKSA-N -1 0 337.807 2.758 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(C3CCOCC3)nn2)n1 ZINC000582517898 478616096 /nfs/dbraw/zinc/61/60/96/478616096.db2.gz DPDCENDMDYNBJU-GFCCVEGCSA-N -1 0 345.428 2.700 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(C3CCOCC3)nn2)n1 ZINC000582517900 478616963 /nfs/dbraw/zinc/61/69/63/478616963.db2.gz DPDCENDMDYNBJU-LBPRGKRZSA-N -1 0 345.428 2.700 20 30 EFEDRM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542101316 478629323 /nfs/dbraw/zinc/62/93/23/478629323.db2.gz UBALHBQNYJEWNW-LLVKDONJSA-N -1 0 333.351 2.540 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582583706 478633015 /nfs/dbraw/zinc/63/30/15/478633015.db2.gz GUKKDUGPQORUBA-OCCSQVGLSA-N -1 0 346.383 2.757 20 30 EFEDRM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccncn2)n1 ZINC000496251116 478640146 /nfs/dbraw/zinc/64/01/46/478640146.db2.gz CALCYHZERHLVPA-NSHDSACASA-N -1 0 339.355 2.709 20 30 EFEDRM CC[C@H](NN=C(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000496311292 478646622 /nfs/dbraw/zinc/64/66/22/478646622.db2.gz OCDHKHFCHRLYIP-STQMWFEESA-N -1 0 327.425 2.605 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)CCCC1 ZINC000571767190 478674699 /nfs/dbraw/zinc/67/46/99/478674699.db2.gz XVOKCIVDJNLESQ-UHFFFAOYSA-N -1 0 337.441 2.729 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000571800618 478680544 /nfs/dbraw/zinc/68/05/44/478680544.db2.gz FRAUHUXOHXGDJQ-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1C#N ZINC000582825390 478692532 /nfs/dbraw/zinc/69/25/32/478692532.db2.gz ALDSCVWCWMMLKL-UHFFFAOYSA-N -1 0 348.281 2.549 20 30 EFEDRM C=CCCSCCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000595263487 478707247 /nfs/dbraw/zinc/70/72/47/478707247.db2.gz QQHDYXMCXDXTTR-QGZVFWFLSA-N -1 0 336.457 2.637 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497020101 478719243 /nfs/dbraw/zinc/71/92/43/478719243.db2.gz UHAQKCAGRZRUIB-DZGCQCFKSA-N -1 0 334.416 2.917 20 30 EFEDRM N#CC1(CNC(=O)N=c2nc(Sc3ccccc3)[n-]s2)CCC1 ZINC000583073845 478756456 /nfs/dbraw/zinc/75/64/56/478756456.db2.gz CEMVOOQHIKVNLA-UHFFFAOYSA-N -1 0 345.453 2.927 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1C1CC1 ZINC000564733698 478799621 /nfs/dbraw/zinc/79/96/21/478799621.db2.gz BEABWPGRAHYQBT-UHFFFAOYSA-N -1 0 333.399 2.668 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000592215131 478828789 /nfs/dbraw/zinc/82/87/89/478828789.db2.gz KOTDABXEQVUVRG-SJORKVTESA-N -1 0 339.395 2.610 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000572601136 478877756 /nfs/dbraw/zinc/87/77/56/478877756.db2.gz QLXRVNWDJKXJKE-WMLDXEAASA-N -1 0 346.427 2.834 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c2c1 ZINC000592421190 478890140 /nfs/dbraw/zinc/89/01/40/478890140.db2.gz QDQCSRNXMYMVAC-VXGBXAGGSA-N -1 0 325.368 2.662 20 30 EFEDRM C=CCOc1ccccc1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000507072062 478901279 /nfs/dbraw/zinc/90/12/79/478901279.db2.gz YHRITFRLGRZFMQ-UHFFFAOYSA-N -1 0 341.363 2.888 20 30 EFEDRM CC(C)COc1ccc(C(C)(C)C(=O)N=c2[nH][n-]cc2C#N)cc1 ZINC000601641051 478921766 /nfs/dbraw/zinc/92/17/66/478921766.db2.gz MKVVZVYAPBREPI-UHFFFAOYSA-N -1 0 326.400 2.654 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC000507567189 478927480 /nfs/dbraw/zinc/92/74/80/478927480.db2.gz MVMXOUVADIHDSO-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\c1cccc2ccccc12 ZINC000492347566 478943476 /nfs/dbraw/zinc/94/34/76/478943476.db2.gz YRCYCVZJQPJIJC-KHPPLWFESA-N -1 0 342.420 2.849 20 30 EFEDRM COc1cc(C2(C(=O)N=c3[nH][n-]c(C)c3C#N)CCCC2)ccc1C ZINC000601678888 478946809 /nfs/dbraw/zinc/94/68/09/478946809.db2.gz HCFBNSBYNJFFPO-UHFFFAOYSA-N -1 0 338.411 2.779 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)c1C#N ZINC000601681083 478949235 /nfs/dbraw/zinc/94/92/35/478949235.db2.gz YUZHWPNHRGTDOE-UHFFFAOYSA-N -1 0 330.338 2.740 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000572955533 478957971 /nfs/dbraw/zinc/95/79/71/478957971.db2.gz STEJSMQXXSZISU-OLZOCXBDSA-N -1 0 348.403 2.540 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000492385702 478961357 /nfs/dbraw/zinc/96/13/57/478961357.db2.gz JTOVASABPJZUIE-ARJAWSKDSA-N -1 0 347.223 2.756 20 30 EFEDRM CSc1nc(C)c(CCC(=O)Nc2cc(F)cc(C#N)c2)c(=O)[nH]1 ZINC000601716032 478969832 /nfs/dbraw/zinc/96/98/32/478969832.db2.gz SXVXEMRXVTVASC-UHFFFAOYSA-N -1 0 346.387 2.795 20 30 EFEDRM C[C@@H](c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1)c1ccccc1 ZINC000528917505 478985168 /nfs/dbraw/zinc/98/51/68/478985168.db2.gz UONJRUNMVYQOBS-UKRRQHHQSA-N -1 0 336.395 2.506 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000528968151 479004448 /nfs/dbraw/zinc/00/44/48/479004448.db2.gz JFDAJXPJDDHDJX-UHFFFAOYSA-N -1 0 346.811 2.922 20 30 EFEDRM Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000492516776 479004647 /nfs/dbraw/zinc/00/46/47/479004647.db2.gz CIADMCWDJBINKY-BQYQJAHWSA-N -1 0 332.425 2.538 20 30 EFEDRM Cc1ccccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000492524019 479005193 /nfs/dbraw/zinc/00/51/93/479005193.db2.gz ZETJXJHHPXGKTJ-CMDGGOBGSA-N -1 0 332.425 2.538 20 30 EFEDRM C=CCN(C)C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000492719954 479016534 /nfs/dbraw/zinc/01/65/34/479016534.db2.gz OUXAKQPAQDVFOZ-WAYWQWQTSA-N -1 0 326.190 2.821 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000492992269 479029088 /nfs/dbraw/zinc/02/90/88/479029088.db2.gz QGOJNSNUBUGKBX-UTSBKAFOSA-N -1 0 325.311 2.837 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cccc3c2OC(F)(F)O3)[n-]1 ZINC000598816825 479036956 /nfs/dbraw/zinc/03/69/56/479036956.db2.gz CBVGYFJMGMLAPM-UHFFFAOYSA-N -1 0 348.309 2.505 20 30 EFEDRM CCOC(=O)Nc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000493378360 479047234 /nfs/dbraw/zinc/04/72/34/479047234.db2.gz XGLKPWGYZKHEJO-UHFFFAOYSA-N -1 0 341.371 2.578 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000584212567 479052310 /nfs/dbraw/zinc/05/23/10/479052310.db2.gz FMVKBAZACJHANA-GFCCVEGCSA-N -1 0 339.775 2.651 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000493489795 479052407 /nfs/dbraw/zinc/05/24/07/479052407.db2.gz OPZPFFUDHKAUKU-PPOCWRSBSA-N -1 0 345.395 2.737 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000493489792 479052685 /nfs/dbraw/zinc/05/26/85/479052685.db2.gz OPZPFFUDHKAUKU-AGEOTTOMSA-N -1 0 345.395 2.737 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(C)c1 ZINC000546707189 479060459 /nfs/dbraw/zinc/06/04/59/479060459.db2.gz JBXBWVHLJWDHAK-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CC(C)c1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000546859535 479077390 /nfs/dbraw/zinc/07/73/90/479077390.db2.gz KPMYKNBVLJKORY-ZDUSSCGKSA-N -1 0 332.367 2.671 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ncc1C#N ZINC000514873223 479083419 /nfs/dbraw/zinc/08/34/19/479083419.db2.gz OCBKGONHXQTAJK-UHFFFAOYSA-N -1 0 335.454 2.843 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3O)c2c1 ZINC000595979051 479087436 /nfs/dbraw/zinc/08/74/36/479087436.db2.gz PUTUYUKDYJQPNI-FZZIBODNSA-N -1 0 345.786 2.704 20 30 EFEDRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601947224 479087476 /nfs/dbraw/zinc/08/74/76/479087476.db2.gz GETHIOLACBJZDP-CYBMUJFWSA-N -1 0 333.775 2.894 20 30 EFEDRM C=C(C)Cn1c(-c2scnc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000566219937 479089011 /nfs/dbraw/zinc/08/90/11/479089011.db2.gz HABABBBQAILUGM-UHFFFAOYSA-N -1 0 343.460 2.802 20 30 EFEDRM COC[C@@H](C)Oc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000596012764 479094864 /nfs/dbraw/zinc/09/48/64/479094864.db2.gz WVTYACMYLZOCCA-CNELAYHGSA-N -1 0 339.395 2.924 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(Br)c1F ZINC000596021506 479098156 /nfs/dbraw/zinc/09/81/56/479098156.db2.gz LGEVOKGWNHBFFI-ZCFIWIBFSA-N -1 0 339.161 2.771 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cn1CC1CC1 ZINC000596024639 479099168 /nfs/dbraw/zinc/09/91/68/479099168.db2.gz QGRNKJGPUVYKQF-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)ccc1F ZINC000601976382 479105334 /nfs/dbraw/zinc/10/53/34/479105334.db2.gz QFGYZBDMFKVDOO-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000601978858 479106124 /nfs/dbraw/zinc/10/61/24/479106124.db2.gz ZEXSOMPWZFFNSS-UHFFFAOYSA-N -1 0 345.428 2.712 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)sn1 ZINC000601977650 479106936 /nfs/dbraw/zinc/10/69/36/479106936.db2.gz OFJLFGYSPFUWNI-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C2CC2)c(C)o1 ZINC000515036096 479107351 /nfs/dbraw/zinc/10/73/51/479107351.db2.gz HYBGNBOAKXTGGR-UHFFFAOYSA-N -1 0 333.369 2.542 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000567439859 479107405 /nfs/dbraw/zinc/10/74/05/479107405.db2.gz KDZHLMRIQGBUIR-PWSUYJOCSA-N -1 0 335.816 2.810 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000601982390 479109125 /nfs/dbraw/zinc/10/91/25/479109125.db2.gz KHWMPHSTSPCJJK-QMMMGPOBSA-N -1 0 330.262 2.896 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000596059112 479113150 /nfs/dbraw/zinc/11/31/50/479113150.db2.gz VEERIEGLSVJTIX-UHFFFAOYSA-N -1 0 331.372 2.722 20 30 EFEDRM C=C(C)CS(=O)(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000567896336 479117231 /nfs/dbraw/zinc/11/72/31/479117231.db2.gz YYTXXUNLYQSEEE-KRWDZBQOSA-N -1 0 347.436 2.579 20 30 EFEDRM C=CCCSCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000601993905 479120159 /nfs/dbraw/zinc/12/01/59/479120159.db2.gz OYZBJLQBMTWHTE-HNNXBMFYSA-N -1 0 327.471 2.906 20 30 EFEDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)CCC(C)(C)C#N)o1 ZINC000568095452 479120818 /nfs/dbraw/zinc/12/08/18/479120818.db2.gz CWDZDWFVQIENIR-UHFFFAOYSA-N -1 0 334.401 2.727 20 30 EFEDRM CC(C)c1csc(S([O-])=CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000593001554 479120936 /nfs/dbraw/zinc/12/09/36/479120936.db2.gz OZGMUVNILHBSNE-QHCPKHFHSA-N -1 0 347.465 2.562 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1C#N ZINC000601994699 479121659 /nfs/dbraw/zinc/12/16/59/479121659.db2.gz ZDORUDZPBZYGMQ-MNOVXSKESA-N -1 0 336.413 2.879 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1C#N ZINC000601994701 479121823 /nfs/dbraw/zinc/12/18/23/479121823.db2.gz ZDORUDZPBZYGMQ-WDEREUQCSA-N -1 0 336.413 2.879 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601995440 479122855 /nfs/dbraw/zinc/12/28/55/479122855.db2.gz OFCCDCRTUWXGSK-VXGBXAGGSA-N -1 0 325.405 2.935 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601995438 479122940 /nfs/dbraw/zinc/12/29/40/479122940.db2.gz OFCCDCRTUWXGSK-RYUDHWBXSA-N -1 0 325.405 2.935 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1cccc(C)c1)[C@@H](C(=O)[O-])C(C)C ZINC000548218105 479123762 /nfs/dbraw/zinc/12/37/62/479123762.db2.gz UIFDBDKMKDVAGY-MRXNPFEDSA-N -1 0 339.457 2.812 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000568726649 479129035 /nfs/dbraw/zinc/12/90/35/479129035.db2.gz SLDHROHGGGYBPK-HNNXBMFYSA-N -1 0 338.448 2.835 20 30 EFEDRM C[C@H](S[C@@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC000602003797 479129952 /nfs/dbraw/zinc/12/99/52/479129952.db2.gz WYMQYPCKDIPEGU-PGUXBMHVSA-N -1 0 332.425 2.647 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000568827490 479130205 /nfs/dbraw/zinc/13/02/05/479130205.db2.gz ZZMSEXJSXNEBAZ-CYBMUJFWSA-N -1 0 332.400 2.789 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCOCc1ccc(Cl)cc1)C(=O)[O-] ZINC000573778296 479140277 /nfs/dbraw/zinc/14/02/77/479140277.db2.gz JWIBJGAPUFVKKJ-CQSZACIVSA-N -1 0 340.807 2.575 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000569654226 479147051 /nfs/dbraw/zinc/14/70/51/479147051.db2.gz RKLROIKGCIHNME-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000551912882 479149805 /nfs/dbraw/zinc/14/98/05/479149805.db2.gz CUOXAMQDKGMTOX-UHFFFAOYSA-N -1 0 331.393 2.615 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](OC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584514149 479160341 /nfs/dbraw/zinc/16/03/41/479160341.db2.gz KPVBAOBOZIYKEG-UONOGXRCSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](OC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584514147 479160390 /nfs/dbraw/zinc/16/03/90/479160390.db2.gz KPVBAOBOZIYKEG-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](OC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000584514148 479160428 /nfs/dbraw/zinc/16/04/28/479160428.db2.gz KPVBAOBOZIYKEG-KGLIPLIRSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCCCS(=O)(=O)N(CCCC(=O)[O-])Cc1ccccc1C ZINC000569766648 479168454 /nfs/dbraw/zinc/16/84/54/479168454.db2.gz YTVLANMETJHGIS-UHFFFAOYSA-N -1 0 339.457 2.958 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000584707435 479212866 /nfs/dbraw/zinc/21/28/66/479212866.db2.gz VTBSWGBXQNCJLQ-QWHCGFSZSA-N -1 0 326.787 2.976 20 30 EFEDRM COc1ccccc1-c1cc([N-]S(=O)(=O)CCC(C)(C)C#N)n[nH]1 ZINC000593207970 479240169 /nfs/dbraw/zinc/24/01/69/479240169.db2.gz YVTLESKSIHJKPQ-UHFFFAOYSA-N -1 0 348.428 2.767 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2ccc(C#N)cc2)n1C1CC1 ZINC000574527033 479305015 /nfs/dbraw/zinc/30/50/15/479305015.db2.gz QQLXIUIDFCJHIN-UHFFFAOYSA-N -1 0 333.399 2.668 20 30 EFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F ZINC000574751059 479342119 /nfs/dbraw/zinc/34/21/19/479342119.db2.gz PNZLGELCCMATSE-PELKAZGASA-N -1 0 338.326 2.953 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000574775219 479346923 /nfs/dbraw/zinc/34/69/23/479346923.db2.gz ZZRKWECQQZSYNW-CJNGLKHVSA-N -1 0 342.399 2.652 20 30 EFEDRM CC(C)n1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cn1 ZINC000574879027 479363743 /nfs/dbraw/zinc/36/37/43/479363743.db2.gz LOIDFKKGYFWDRA-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000596637210 479367520 /nfs/dbraw/zinc/36/75/20/479367520.db2.gz UDQQTZAKGVCRFU-AWEZNQCLSA-N -1 0 341.440 2.708 20 30 EFEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)s1 ZINC000611437626 479380370 /nfs/dbraw/zinc/38/03/70/479380370.db2.gz NYVTUNMKOGLEGD-JTQLQIEISA-N -1 0 349.437 2.618 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000596698165 479392165 /nfs/dbraw/zinc/39/21/65/479392165.db2.gz SKMZUCIMOROIMD-JTQLQIEISA-N -1 0 333.442 2.846 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)ccc1Cl ZINC000611487208 479392370 /nfs/dbraw/zinc/39/23/70/479392370.db2.gz HPADEPQKOUMNKC-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000603835643 479434600 /nfs/dbraw/zinc/43/46/00/479434600.db2.gz DAPRMKRYKPAQTB-JTQLQIEISA-N -1 0 338.245 2.837 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000588769607 479440033 /nfs/dbraw/zinc/44/00/33/479440033.db2.gz WQNWZYNBCFFASK-LBPRGKRZSA-N -1 0 326.787 2.903 20 30 EFEDRM C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000575412823 479441681 /nfs/dbraw/zinc/44/16/81/479441681.db2.gz VNHICTRLZLOOQV-NSHDSACASA-N -1 0 338.212 2.615 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000575412822 479441726 /nfs/dbraw/zinc/44/17/26/479441726.db2.gz VNHICTRLZLOOQV-LLVKDONJSA-N -1 0 338.212 2.615 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000599863618 479458169 /nfs/dbraw/zinc/45/81/69/479458169.db2.gz DYQXIKWCUQTNLZ-FVQBIDKESA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@H](NC(=O)N=c1nc2cc(Cl)ccn2[n-]1)c1cccc(C#N)c1 ZINC000589344515 479516125 /nfs/dbraw/zinc/51/61/25/479516125.db2.gz VTTPHMZMPPULIA-JTQLQIEISA-N -1 0 340.774 2.559 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[n-]1 ZINC000576090049 479536022 /nfs/dbraw/zinc/53/60/22/479536022.db2.gz IVNJQQLMBDCGOH-JKSUJKDBSA-N -1 0 333.395 2.546 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c1 ZINC000589588033 479541831 /nfs/dbraw/zinc/54/18/31/479541831.db2.gz LNZKAVOQKYGSCE-UHFFFAOYSA-N -1 0 340.364 2.603 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)ccc1C(F)(F)F ZINC000589586779 479542386 /nfs/dbraw/zinc/54/23/86/479542386.db2.gz APHNYUJMOMOTDB-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)c1 ZINC000589589159 479542748 /nfs/dbraw/zinc/54/27/48/479542748.db2.gz ZZQDNIJUXMNWKB-UHFFFAOYSA-N -1 0 346.412 2.669 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c1 ZINC000589592115 479542965 /nfs/dbraw/zinc/54/29/65/479542965.db2.gz NJGNWNMHDDGCFF-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618744285 479576648 /nfs/dbraw/zinc/57/66/48/479576648.db2.gz MXWPUPPCXUHKJI-ZDUSSCGKSA-N -1 0 327.413 2.593 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2sccc2Cl)n(CCC#N)n1 ZINC000576701200 479582739 /nfs/dbraw/zinc/58/27/39/479582739.db2.gz OELPAWXKLRMASA-UHFFFAOYSA-N -1 0 330.822 2.621 20 30 EFEDRM Cn1ncc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cnc21 ZINC000576999925 479586820 /nfs/dbraw/zinc/58/68/20/479586820.db2.gz LMNWMNRKGKDYBM-GFCCVEGCSA-N -1 0 345.284 2.872 20 30 EFEDRM N#CC1(CS(=O)(=O)Nc2cccc(C(=O)[O-])c2F)CCCCC1 ZINC000589974531 479588763 /nfs/dbraw/zinc/58/87/63/479588763.db2.gz VZSJMDMVEJVDRA-UHFFFAOYSA-N -1 0 340.376 2.740 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1cccc(F)c1)[C@@H](C(=O)[O-])C(C)C ZINC000577224361 479589524 /nfs/dbraw/zinc/58/95/24/479589524.db2.gz WDERSBVQPKWCDP-OAHLLOKOSA-N -1 0 343.420 2.643 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000577823031 479597095 /nfs/dbraw/zinc/59/70/95/479597095.db2.gz RSZDSEGQWYUILF-HFTRVMKXSA-N -1 0 346.427 2.825 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000590116219 479606530 /nfs/dbraw/zinc/60/65/30/479606530.db2.gz NTDXZGFPYXMBNY-UHFFFAOYSA-N -1 0 347.419 2.703 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000578511252 479606740 /nfs/dbraw/zinc/60/67/40/479606740.db2.gz LSDMTZOAIALDIO-MDZRGWNJSA-N -1 0 331.412 2.516 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000578946209 479633959 /nfs/dbraw/zinc/63/39/59/479633959.db2.gz PGCWJMFQUZGNEV-MRXNPFEDSA-N -1 0 333.409 2.851 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000612321158 479642505 /nfs/dbraw/zinc/64/25/05/479642505.db2.gz OTECIFBUZCDCNG-JFDDCEBESA-N -1 0 343.412 2.881 20 30 EFEDRM N#Cc1nccc(Sc2n[n-]c(=NCc3ccc(F)cc3)s2)n1 ZINC000590573434 479662251 /nfs/dbraw/zinc/66/22/51/479662251.db2.gz ZNAIVSOVDHXYPC-UHFFFAOYSA-N -1 0 344.400 2.524 20 30 EFEDRM O=S(=O)([N-]c1cccc(C#Cc2cccs2)c1)c1c[nH]cn1 ZINC000605651316 479663954 /nfs/dbraw/zinc/66/39/54/479663954.db2.gz OPIITVKHHDTBEF-UHFFFAOYSA-N -1 0 329.406 2.672 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(F)cc1[N+](=O)[O-] ZINC000590598257 479665971 /nfs/dbraw/zinc/66/59/71/479665971.db2.gz RHINRLUZXANVFU-UHFFFAOYSA-N -1 0 349.343 2.909 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621564776 479698811 /nfs/dbraw/zinc/69/88/11/479698811.db2.gz VQTJOTRYEOLSGP-SECBINFHSA-N -1 0 329.299 2.906 20 30 EFEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)cc(OC)c1OC ZINC000621574623 479704859 /nfs/dbraw/zinc/70/48/59/479704859.db2.gz ZUQAQTIXGAVALJ-UHFFFAOYSA-N -1 0 347.411 2.902 20 30 EFEDRM N#C[C@@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCC[C@]12CCCCO2 ZINC000619221937 479722909 /nfs/dbraw/zinc/72/29/09/479722909.db2.gz GUYXVWTXYDOUOF-DLBZAZTESA-N -1 0 331.372 2.728 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(OC)c1OC ZINC000621620379 479726747 /nfs/dbraw/zinc/72/67/47/479726747.db2.gz DELHYSFGEHNYNO-HNNXBMFYSA-N -1 0 347.411 2.902 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccccc2CC#N)cnn1CC(C)C ZINC000619463465 479801344 /nfs/dbraw/zinc/80/13/44/479801344.db2.gz DMSLCNQDOCAIMZ-UHFFFAOYSA-N -1 0 346.456 2.968 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)cc1 ZINC000619472323 479803956 /nfs/dbraw/zinc/80/39/56/479803956.db2.gz FEUSQTFNOWFJMV-INIZCTEOSA-N -1 0 346.394 2.520 20 30 EFEDRM C=CCc1cc(CN=c2[n-]nc([C@H]3CCCO3)s2)cc(OC)c1O ZINC000630963491 479805070 /nfs/dbraw/zinc/80/50/70/479805070.db2.gz RLLLSIKNKNBZDG-CYBMUJFWSA-N -1 0 347.440 2.866 20 30 EFEDRM C=CCSCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000619542613 479823533 /nfs/dbraw/zinc/82/35/33/479823533.db2.gz REVLFBGFHZSMJJ-GJZGRUSLSA-N -1 0 334.441 2.906 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000613015383 479840135 /nfs/dbraw/zinc/84/01/35/479840135.db2.gz LYKAMMPHQGPXOK-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM C=C[C@@H](Sc1n[n-]c(=Nc2cccc(OC)c2)s1)C(=O)OC ZINC000619686403 479856729 /nfs/dbraw/zinc/85/67/29/479856729.db2.gz GQBSVCYWTLINQS-LLVKDONJSA-N -1 0 337.426 2.532 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(CC#N)c2)cc1 ZINC000609750000 480201191 /nfs/dbraw/zinc/20/11/91/480201191.db2.gz PZFOSUWMPIEIDV-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000614182405 480218344 /nfs/dbraw/zinc/21/83/44/480218344.db2.gz PUGMJXRCQZUZNH-UHFFFAOYSA-N -1 0 335.820 2.649 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000629334014 480221694 /nfs/dbraw/zinc/22/16/94/480221694.db2.gz HBARBQSEPPEBTJ-JTQLQIEISA-N -1 0 329.805 2.625 20 30 EFEDRM C[C@H](NC(=O)N=c1ncn(Cc2ccccc2)[n-]1)c1cccc(C#N)c1 ZINC000610322807 480280454 /nfs/dbraw/zinc/28/04/54/480280454.db2.gz HOYIRKPQQOFPTB-AWEZNQCLSA-N -1 0 346.394 2.503 20 30 EFEDRM N#CC(=C([O-])c1cn(C2CC2)nn1)c1nc2ccccc2n1C(F)F ZINC000626299872 480301002 /nfs/dbraw/zinc/30/10/02/480301002.db2.gz BQQNGFVXRHKGMJ-SNVBAGLBSA-N -1 0 342.309 2.848 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)[n-]1 ZINC000614430786 480304390 /nfs/dbraw/zinc/30/43/90/480304390.db2.gz APNNFXGKRREMKC-RCCFBDPRSA-N -1 0 349.438 2.904 20 30 EFEDRM CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000610483435 480317655 /nfs/dbraw/zinc/31/76/55/480317655.db2.gz CMNAIEHJARACMN-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM C[C@@H]1C[C@H]1[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610562132 480337199 /nfs/dbraw/zinc/33/71/99/480337199.db2.gz XRTMNHXHSFFJLG-KMUNFCNLSA-N -1 0 343.818 2.886 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000610560481 480337604 /nfs/dbraw/zinc/33/76/04/480337604.db2.gz DLEBDSAEXZCOCI-SFHVURJKSA-N -1 0 345.406 2.819 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N(Cc2ccccc2)Cc2ccccc2)[n-]1 ZINC000610563739 480337846 /nfs/dbraw/zinc/33/78/46/480337846.db2.gz FTUMYYSYUCSYKM-UHFFFAOYSA-N -1 0 345.406 2.948 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(c3ccccc3)CCCCC2)[n-]1 ZINC000610562263 480338287 /nfs/dbraw/zinc/33/82/87/480338287.db2.gz MICCKFWDGMBPOA-UHFFFAOYSA-N -1 0 337.427 2.737 20 30 EFEDRM CN(Cc1csc2ccccc12)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563930 480338766 /nfs/dbraw/zinc/33/87/66/480338766.db2.gz BSSOHXFHFCVNQP-UHFFFAOYSA-N -1 0 325.397 2.592 20 30 EFEDRM CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1OC(F)F ZINC000610565247 480338774 /nfs/dbraw/zinc/33/87/74/480338774.db2.gz RFRNQTIOGWHOAC-LBPRGKRZSA-N -1 0 349.341 2.588 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C#N)CC(C)C)n1 ZINC000610578968 480342591 /nfs/dbraw/zinc/34/25/91/480342591.db2.gz WNRCXUQLWPGFQS-ZDUSSCGKSA-N -1 0 330.363 2.694 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc3ccnn32)s1 ZINC000626423164 480352488 /nfs/dbraw/zinc/35/24/88/480352488.db2.gz JOWGSUCVKLUNAD-JTQLQIEISA-N -1 0 325.397 2.973 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@@](C)(CC)CC(=O)[O-])cc(OC)c1OC ZINC000634876756 480600063 /nfs/dbraw/zinc/60/00/63/480600063.db2.gz WKQFQHLLGQPLLV-IBGZPJMESA-N -1 0 349.427 2.940 20 30 EFEDRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893722 480613167 /nfs/dbraw/zinc/61/31/67/480613167.db2.gz ZLLXKHWYSSJBDL-UONOGXRCSA-N -1 0 339.313 2.674 20 30 EFEDRM C=C(C)COCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000634909565 480625272 /nfs/dbraw/zinc/62/52/72/480625272.db2.gz IZYWDPTYXPJTBY-QGZVFWFLSA-N -1 0 339.819 2.781 20 30 EFEDRM C=CCC1(NC(=O)c2cc(F)c(F)cc2C(=O)[O-])CCOCC1 ZINC000634928550 480641138 /nfs/dbraw/zinc/64/11/38/480641138.db2.gz PMYMRKWDTDCKDJ-UHFFFAOYSA-N -1 0 325.311 2.518 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000630316520 480667902 /nfs/dbraw/zinc/66/79/02/480667902.db2.gz FENAFLGIXAJVDP-LBPRGKRZSA-N -1 0 334.397 2.790 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1ccc(/C=C\C)cc1OC)C(=O)[O-] ZINC000630319100 480668988 /nfs/dbraw/zinc/66/89/88/480668988.db2.gz RUYYKHRKNAKSCK-GXMNPTEKSA-N -1 0 333.384 2.643 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000630320278 480669650 /nfs/dbraw/zinc/66/96/50/480669650.db2.gz SDYBQDCLFZAJNI-CYBMUJFWSA-N -1 0 327.327 2.756 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000630321037 480669752 /nfs/dbraw/zinc/66/97/52/480669752.db2.gz DUCNXBVWNVPINR-QWHCGFSZSA-N -1 0 325.311 2.622 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000630320244 480669836 /nfs/dbraw/zinc/66/98/36/480669836.db2.gz RQIJEBVQTMCEOH-HNNXBMFYSA-N -1 0 333.384 2.584 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322823 480670668 /nfs/dbraw/zinc/67/06/68/480670668.db2.gz WOBSPBYGQKLKQO-DOTOQJQBSA-N -1 0 348.443 2.681 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000630322403 480670885 /nfs/dbraw/zinc/67/08/85/480670885.db2.gz RSKMQJWEUXHYBK-OAHLLOKOSA-N -1 0 347.411 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)C(=O)[O-] ZINC000630323866 480671620 /nfs/dbraw/zinc/67/16/20/480671620.db2.gz ATIXAUFWFGPEKY-KRWDZBQOSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC000630326422 480672742 /nfs/dbraw/zinc/67/27/42/480672742.db2.gz PXYDFLUOPUBRFH-LLVKDONJSA-N -1 0 346.246 2.979 20 30 EFEDRM C=C(C)C[C@H](NC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)C(=O)[O-] ZINC000630482265 480739850 /nfs/dbraw/zinc/73/98/50/480739850.db2.gz YQNJBLVHVRXKOZ-PMPSAXMXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=C(C)C[C@H](NC(=O)NC[C@@H]1CC[C@@H](c2ccccc2)O1)C(=O)[O-] ZINC000630482263 480740453 /nfs/dbraw/zinc/74/04/53/480740453.db2.gz YQNJBLVHVRXKOZ-JYJNAYRXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065461 481198069 /nfs/dbraw/zinc/19/80/69/481198069.db2.gz XITRFMJGPPJXJV-JSGCOSHPSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000653659041 481391351 /nfs/dbraw/zinc/39/13/51/481391351.db2.gz BBIULAIKPDBEGO-SKDRFNHKSA-N -1 0 346.210 2.869 20 30 EFEDRM CCOc1cnc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000643777967 481588063 /nfs/dbraw/zinc/58/80/63/481588063.db2.gz AFDALVPAPWDGHH-JTQLQIEISA-N -1 0 336.273 2.779 20 30 EFEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647379684 481792684 /nfs/dbraw/zinc/79/26/84/481792684.db2.gz DPSRYHJVKKIHFM-AWEZNQCLSA-N -1 0 343.408 2.931 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCO[C@@H]2C)n[n-]c1=Nc1cccc(OC)c1 ZINC000647406671 481806393 /nfs/dbraw/zinc/80/63/93/481806393.db2.gz WXXFEOYXNALLLB-CJNGLKHVSA-N -1 0 328.416 2.921 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc(OC)c1OC ZINC000663065539 482053898 /nfs/dbraw/zinc/05/38/98/482053898.db2.gz BPXKNJKIEJRZNP-HNNXBMFYSA-N -1 0 349.427 2.795 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](CC)Oc1ccccc1F)C(=O)[O-] ZINC000654804170 482058301 /nfs/dbraw/zinc/05/83/01/482058301.db2.gz HDGOGXCHCXULFI-OCCSQVGLSA-N -1 0 338.379 2.702 20 30 EFEDRM C=CCCCCNC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000654810036 482060339 /nfs/dbraw/zinc/06/03/39/482060339.db2.gz HPGQUEHWSIBCQM-UHFFFAOYSA-N -1 0 326.343 2.917 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000654817918 482063801 /nfs/dbraw/zinc/06/38/01/482063801.db2.gz XHZXQLIDDPDULH-PMPSAXMXSA-N -1 0 332.400 2.625 20 30 EFEDRM C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663293406 482152793 /nfs/dbraw/zinc/15/27/93/482152793.db2.gz GKEMTLKKHARDHE-NSHDSACASA-N -1 0 338.212 2.615 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000652386073 482206860 /nfs/dbraw/zinc/20/68/60/482206860.db2.gz HMLOQHHOSYVLFZ-MNOVXSKESA-N -1 0 336.442 2.544 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC000663434666 482233705 /nfs/dbraw/zinc/23/37/05/482233705.db2.gz CJQFNCWCDHVNCH-UHFFFAOYSA-N -1 0 341.429 2.554 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(OC)c1 ZINC000172589566 534187712 /nfs/dbraw/zinc/18/77/12/534187712.db2.gz MMHLGOPQQYTYCQ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N(CCC#N)CCC(C)C)cc2=O)cc1 ZINC000172772252 534236902 /nfs/dbraw/zinc/23/69/02/534236902.db2.gz NBNHJBRNNNTIHY-UHFFFAOYSA-N -1 0 340.427 2.876 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)c1 ZINC000333177999 518196525 /nfs/dbraw/zinc/19/65/25/518196525.db2.gz RONWMIRALOFWQW-UHFFFAOYSA-N -1 0 326.368 2.838 20 30 EFEDRM C=C(C)[C@H](NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000421809526 534339474 /nfs/dbraw/zinc/33/94/74/534339474.db2.gz VGNZWINAVHHBBS-BHDSKKPTSA-N -1 0 327.327 2.576 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc(OC)c1OC ZINC000262524754 534411776 /nfs/dbraw/zinc/41/17/76/534411776.db2.gz NGGDRXBGICSECG-IAQYHMDHSA-N -1 0 335.400 2.661 20 30 EFEDRM C=CCc1ccc(OCC(=O)NC2(CC(=O)[O-])CCCC2)c(OC)c1 ZINC000262821767 534420127 /nfs/dbraw/zinc/42/01/27/534420127.db2.gz FCQOOPVADGTLCT-UHFFFAOYSA-N -1 0 347.411 2.706 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1Cl ZINC000063443995 519706940 /nfs/dbraw/zinc/70/69/40/519706940.db2.gz DYOIGSZQDAPOJZ-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CSCc1ccc(C#N)cc1 ZINC000263160987 519829149 /nfs/dbraw/zinc/82/91/49/519829149.db2.gz ZUIARYBRZLIYML-KRWDZBQOSA-N -1 0 334.441 2.797 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263130308 520867930 /nfs/dbraw/zinc/86/79/30/520867930.db2.gz NANRDWPDHCLQJP-DGCLKSJQSA-N -1 0 331.372 2.531 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000057125624 520869821 /nfs/dbraw/zinc/86/98/21/520869821.db2.gz ZJLWVLAARYUSCA-UHFFFAOYSA-N -1 0 342.380 2.634 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057125725 520870241 /nfs/dbraw/zinc/87/02/41/520870241.db2.gz DGXGPLJRFFIIAQ-UHFFFAOYSA-N -1 0 327.365 2.629 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000057125693 520870731 /nfs/dbraw/zinc/87/07/31/520870731.db2.gz FOYGRQDUEXGYAT-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM C=CCC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)CCOCC1 ZINC000425250457 534588293 /nfs/dbraw/zinc/58/82/93/534588293.db2.gz FYBDCORHQPRTDE-GOSISDBHSA-N -1 0 349.402 2.657 20 30 EFEDRM C=CCC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)CCOCC1 ZINC000425250458 534590180 /nfs/dbraw/zinc/59/01/80/534590180.db2.gz FYBDCORHQPRTDE-SFHVURJKSA-N -1 0 349.402 2.657 20 30 EFEDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccccc1C#N ZINC000189661108 522437313 /nfs/dbraw/zinc/43/73/13/522437313.db2.gz VXIUQVPOSNQTGS-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000063878496 522986027 /nfs/dbraw/zinc/98/60/27/522986027.db2.gz JRGARVATWJDYCL-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM O=C([N-]Cc1cccnc1OCC(F)(F)F)C(F)(F)C(F)F ZINC000175949176 534687209 /nfs/dbraw/zinc/68/72/09/534687209.db2.gz ZRVQZFLXDJABLQ-UHFFFAOYSA-N -1 0 334.191 2.539 20 30 EFEDRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc21 ZINC000195328367 523703403 /nfs/dbraw/zinc/70/34/03/523703403.db2.gz GGVOHSARGHNOJD-UHFFFAOYSA-N -1 0 326.381 2.729 20 30 EFEDRM Cc1cccc(C)c1OCCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532709 524310592 /nfs/dbraw/zinc/31/05/92/524310592.db2.gz BLHUFZMBDDWYOW-UHFFFAOYSA-N -1 0 334.397 2.813 20 30 EFEDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000073353842 525470096 /nfs/dbraw/zinc/47/00/96/525470096.db2.gz HVOGLXFZQYGGCE-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2c1 ZINC000057723416 525676401 /nfs/dbraw/zinc/67/64/01/525676401.db2.gz XBQFJEQHADFENE-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM CSc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120661742 526046121 /nfs/dbraw/zinc/04/61/21/526046121.db2.gz AKLZQFHMVBFRJB-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000124581620 526087133 /nfs/dbraw/zinc/08/71/33/526087133.db2.gz OZDOCCIPUOIJFY-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000076936656 526194457 /nfs/dbraw/zinc/19/44/57/526194457.db2.gz XAVGNVCJRAJSJW-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000177752914 526194569 /nfs/dbraw/zinc/19/45/69/526194569.db2.gz OLKHADRQFHQGKF-UHFFFAOYSA-N -1 0 332.429 2.979 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCCc2ccccc2)cc1C#N ZINC000074343918 526214414 /nfs/dbraw/zinc/21/44/14/526214414.db2.gz UVELCMLTZLCCCE-UHFFFAOYSA-N -1 0 327.409 2.743 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(F)c(F)c2)cc1C#N ZINC000074352477 526215289 /nfs/dbraw/zinc/21/52/89/526215289.db2.gz XWFQVENOYNFWNB-UHFFFAOYSA-N -1 0 349.362 2.931 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCSc2ccccc2)cc1C#N ZINC000074344963 526215352 /nfs/dbraw/zinc/21/53/52/526215352.db2.gz GSBXXILMPINTFJ-UHFFFAOYSA-N -1 0 345.449 2.903 20 30 EFEDRM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc2ccccc2o1 ZINC000041541645 526492427 /nfs/dbraw/zinc/49/24/27/526492427.db2.gz LBBHNRQANMTQBP-HNNXBMFYSA-N -1 0 343.346 2.958 20 30 EFEDRM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc2ccccc2o1 ZINC000041541647 526507021 /nfs/dbraw/zinc/50/70/21/526507021.db2.gz LBBHNRQANMTQBP-OAHLLOKOSA-N -1 0 343.346 2.958 20 30 EFEDRM N#Cc1c(C#N)c(N2CCC[C@@H](C(=O)[O-])C2)nc2c1CCCCCC2 ZINC000262171362 526517565 /nfs/dbraw/zinc/51/75/65/526517565.db2.gz VCNWKTAMDVSNGC-CYBMUJFWSA-N -1 0 338.411 2.785 20 30 EFEDRM N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000048532786 526630729 /nfs/dbraw/zinc/63/07/29/526630729.db2.gz PADONGBWTMLFOE-UHFFFAOYSA-N -1 0 347.421 2.532 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000262984404 526630929 /nfs/dbraw/zinc/63/09/29/526630929.db2.gz NQOPIRYUNLTYPW-UXLLHSPISA-N -1 0 344.436 2.503 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262401023 526631038 /nfs/dbraw/zinc/63/10/38/526631038.db2.gz UZOVUSIBTNNNGC-HNNXBMFYSA-N -1 0 344.436 2.505 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)c1 ZINC000225224829 526665376 /nfs/dbraw/zinc/66/53/76/526665376.db2.gz PSFUTPLWECZGMZ-UHFFFAOYSA-N -1 0 342.785 2.772 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1C(F)(F)F ZINC000131923387 526665750 /nfs/dbraw/zinc/66/57/50/526665750.db2.gz JEKWAQHENRHCRW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)cn1 ZINC000182962652 526683996 /nfs/dbraw/zinc/68/39/96/526683996.db2.gz DAWNQPFHTMOGJF-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000075555090 526786921 /nfs/dbraw/zinc/78/69/21/526786921.db2.gz GZVZGSGZGVHNKQ-MNOVXSKESA-N -1 0 345.284 2.914 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]c1C#N ZINC000077612887 526787785 /nfs/dbraw/zinc/78/77/85/526787785.db2.gz RJDDPLJKJBJSMH-YUMQZZPRSA-N -1 0 329.722 2.688 20 30 EFEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)s1 ZINC000161408299 526788182 /nfs/dbraw/zinc/78/81/82/526788182.db2.gz BRHWAXZQJAHSEX-UHFFFAOYSA-N -1 0 338.458 2.957 20 30 EFEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1 ZINC000158624815 527879821 /nfs/dbraw/zinc/87/98/21/527879821.db2.gz JZVLWECYJILMBF-ZDUSSCGKSA-N -1 0 336.399 2.701 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000176271060 528704582 /nfs/dbraw/zinc/70/45/82/528704582.db2.gz OOVSXUBGZCLBNB-LLVKDONJSA-N -1 0 330.363 2.647 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ncccc1OCCCC#N ZINC000263069189 535008563 /nfs/dbraw/zinc/00/85/63/535008563.db2.gz PRTQQKWULKCNDZ-UHFFFAOYSA-N -1 0 334.376 2.529 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000330997533 535461047 /nfs/dbraw/zinc/46/10/47/535461047.db2.gz YFHWUUXMTLABNU-QMMMGPOBSA-N -1 0 338.437 2.680 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266109102 535696156 /nfs/dbraw/zinc/69/61/56/535696156.db2.gz VLVKACYUHYYZSN-UHFFFAOYSA-N -1 0 334.401 2.535 20 30 EFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cs1 ZINC000343814632 536584997 /nfs/dbraw/zinc/58/49/97/536584997.db2.gz VCTZMHUIJIGRNT-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000351230043 537103864 /nfs/dbraw/zinc/10/38/64/537103864.db2.gz ZXLLWCIYXGAYQY-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000316568479 545813512 /nfs/dbraw/zinc/81/35/12/545813512.db2.gz HDTZYUOSQWRNIG-CQSZACIVSA-N -1 0 325.430 2.536 20 30 EFEDRM C=CCOC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000656244382 546741191 /nfs/dbraw/zinc/74/11/91/546741191.db2.gz VIGDOGLMSGTUAN-CYBMUJFWSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cccc(O[C@@H](C)CC)c1)C(=O)[O-] ZINC000656513288 546826062 /nfs/dbraw/zinc/82/60/62/546826062.db2.gz VBDNIESCOSYBLA-WFASDCNBSA-N -1 0 341.429 2.562 20 30 EFEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)nn1 ZINC000656571900 546845582 /nfs/dbraw/zinc/84/55/82/546845582.db2.gz DCFOUXWEBUOFSW-HNNXBMFYSA-N -1 0 334.807 2.732 20 30 EFEDRM C=CCCNC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000656588169 546854454 /nfs/dbraw/zinc/85/44/54/546854454.db2.gz DRQQPDVZUNCCPR-UHFFFAOYSA-N -1 0 330.306 2.878 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000671644951 547637419 /nfs/dbraw/zinc/63/74/19/547637419.db2.gz GJGJHLKTNAFSFI-UHFFFAOYSA-N -1 0 331.821 2.725 20 30 EFEDRM C=CCOc1ccc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000675978007 548385733 /nfs/dbraw/zinc/38/57/33/548385733.db2.gz KNZGSVVOHBYUHU-UHFFFAOYSA-N -1 0 337.375 2.603 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000675987834 548388078 /nfs/dbraw/zinc/38/80/78/548388078.db2.gz SZHREMGHLIDPEF-HXUWFJFHSA-N -1 0 337.375 2.908 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc2cc(F)ccc2s1 ZINC000676591472 548502907 /nfs/dbraw/zinc/50/29/07/548502907.db2.gz JNKQKFLGBMXIRD-MRVPVSSYSA-N -1 0 329.312 2.617 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1csc2ccc(Cl)cc21)C(=O)[O-] ZINC000681557464 549566315 /nfs/dbraw/zinc/56/63/15/549566315.db2.gz APKACHMAPLDXJI-SNVBAGLBSA-N -1 0 345.829 2.862 20 30 EFEDRM C=CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000681577777 549569408 /nfs/dbraw/zinc/56/94/08/549569408.db2.gz GYWMYANUDLXNKQ-INIZCTEOSA-N -1 0 333.409 2.851 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)O1 ZINC000682521359 549756585 /nfs/dbraw/zinc/75/65/85/549756585.db2.gz IVJWCJBVWDDWHF-HOTGVXAUSA-N -1 0 341.388 2.719 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000683326147 549883248 /nfs/dbraw/zinc/88/32/48/549883248.db2.gz YHHULYYRNMTGHZ-CYBMUJFWSA-N -1 0 332.400 2.609 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1nc2cc(F)ccc2s1 ZINC000683372848 549889280 /nfs/dbraw/zinc/88/92/80/549889280.db2.gz RSPUDWRQFONRCQ-SNVBAGLBSA-N -1 0 342.355 2.904 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1nc2cc(F)ccc2s1 ZINC000683372847 549889500 /nfs/dbraw/zinc/88/95/00/549889500.db2.gz RSPUDWRQFONRCQ-JTQLQIEISA-N -1 0 342.355 2.904 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2ccccc2n1C(F)F ZINC000685784904 550181809 /nfs/dbraw/zinc/18/18/09/550181809.db2.gz IISWTJPVZSWVPO-SECBINFHSA-N -1 0 343.293 2.510 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753934845 575362418 /nfs/dbraw/zinc/36/24/18/575362418.db2.gz KRZVZHLYVRYSMC-TXEJJXNPSA-N -1 0 327.215 2.893 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1cc(C(=O)[O-])ccc1O ZINC000754711665 575475658 /nfs/dbraw/zinc/47/56/58/575475658.db2.gz SZAHAJUNOORRLL-UHFFFAOYSA-N -1 0 340.261 2.735 20 30 EFEDRM C=CCN(CC=C)C(=O)c1cccc(I)c1[O-] ZINC000754831818 575499084 /nfs/dbraw/zinc/49/90/84/575499084.db2.gz PZSHSZSYPHWHMI-UHFFFAOYSA-N -1 0 343.164 2.811 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)c2ccncc2)n1 ZINC000754942922 575517478 /nfs/dbraw/zinc/51/74/78/575517478.db2.gz ARYBKZRHNUCDLO-SMDDNHRTSA-N -1 0 343.408 2.760 20 30 EFEDRM C=CC[C@@H](C)NC(=O)c1cccc(I)c1[O-] ZINC000755361714 575578416 /nfs/dbraw/zinc/57/84/16/575578416.db2.gz XWQLDFGWOHRVNE-MRVPVSSYSA-N -1 0 331.153 2.691 20 30 EFEDRM CN(N=Cc1cc(C(=O)[O-])cs1)C(=S)NCc1ccccc1 ZINC000755522850 575595475 /nfs/dbraw/zinc/59/54/75/575595475.db2.gz AXLSCJSCKQGFFX-UHFFFAOYSA-N -1 0 333.438 2.787 20 30 EFEDRM COc1cc(C=NNCc2cccc(Cl)c2)ccc1OCC(=O)[O-] ZINC000755771121 575631052 /nfs/dbraw/zinc/63/10/52/575631052.db2.gz SLXCCHJFRCOREN-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)OCC ZINC000756523136 575754986 /nfs/dbraw/zinc/75/49/86/575754986.db2.gz FCYUOSVNEBISRV-QGZVFWFLSA-N -1 0 349.452 2.791 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)OCC ZINC000756530152 575755729 /nfs/dbraw/zinc/75/57/29/575755729.db2.gz AACLVJBQQUWGOU-LBPRGKRZSA-N -1 0 349.811 2.655 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1c[nH]nc1-c1cccnc1 ZINC000756898978 575798475 /nfs/dbraw/zinc/79/84/75/575798475.db2.gz KEQURTRIPHSJGZ-UHFFFAOYSA-N -1 0 337.339 2.625 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1c(F)ccc2C ZINC000756898855 575798486 /nfs/dbraw/zinc/79/84/86/575798486.db2.gz DTCMHOIZTZGAJW-UHFFFAOYSA-N -1 0 343.314 2.609 20 30 EFEDRM COc1nc2sccn2c1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000756899082 575798488 /nfs/dbraw/zinc/79/84/88/575798488.db2.gz OVVURTSMSZYCKB-UHFFFAOYSA-N -1 0 346.368 2.557 20 30 EFEDRM CCOC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)o1 ZINC000756899310 575798588 /nfs/dbraw/zinc/79/85/88/575798588.db2.gz VSQISYLNPUNNIK-UHFFFAOYSA-N -1 0 332.312 2.609 20 30 EFEDRM CC(=NNC(=S)NCCc1cccs1)c1ccccc1C(=O)[O-] ZINC000757459057 575839679 /nfs/dbraw/zinc/83/96/79/575839679.db2.gz CYXYECOZHGYBHH-UHFFFAOYSA-N -1 0 347.465 2.877 20 30 EFEDRM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(O)cc1[O-] ZINC000757473424 575840456 /nfs/dbraw/zinc/84/04/56/575840456.db2.gz XFPKKJAFJHMPLF-DAFODLJHSA-N -1 0 343.291 2.673 20 30 EFEDRM CC(C)(C)SCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757879292 575855100 /nfs/dbraw/zinc/85/51/00/575855100.db2.gz FYPGFOWUWITUMH-UHFFFAOYSA-N -1 0 334.413 2.646 20 30 EFEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1 ZINC000758168487 575861587 /nfs/dbraw/zinc/86/15/87/575861587.db2.gz VPYUPHAIWAHOBU-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1C#N ZINC000758407186 575868950 /nfs/dbraw/zinc/86/89/50/575868950.db2.gz FRXHNXBUBBPBGK-UHFFFAOYSA-N -1 0 346.412 2.712 20 30 EFEDRM COCCn1cc2c(n1)[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000758817013 575877890 /nfs/dbraw/zinc/87/78/90/575877890.db2.gz WOMANAIZUWPKTK-PACYTGELSA-N -1 0 344.371 2.640 20 30 EFEDRM COCCn1cc2c(n1)[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])CCC2 ZINC000758817016 575877937 /nfs/dbraw/zinc/87/79/37/575877937.db2.gz WOMANAIZUWPKTK-ZNBBLSJYSA-N -1 0 344.371 2.640 20 30 EFEDRM COc1cc2c(cc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-])OCO2 ZINC000758929609 575880495 /nfs/dbraw/zinc/88/04/95/575880495.db2.gz DFISTHKGBIFEPE-RQOWECAXSA-N -1 0 343.291 2.934 20 30 EFEDRM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCO2 ZINC000758930384 575880517 /nfs/dbraw/zinc/88/05/17/575880517.db2.gz IFBLDFDCZVZBDH-ARJAWSKDSA-N -1 0 343.291 2.934 20 30 EFEDRM COc1cc2c(cc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1)OCO2 ZINC000758931853 575880555 /nfs/dbraw/zinc/88/05/55/575880555.db2.gz PRUGVLYYLUJAQL-VOTSOKGWSA-N -1 0 340.331 2.947 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)nn1 ZINC000759077716 575884124 /nfs/dbraw/zinc/88/41/24/575884124.db2.gz VXVUNHXPEKRHRE-BQYQJAHWSA-N -1 0 339.376 2.987 20 30 EFEDRM Cc1cc2cc(C(=O)/C=C\c3cn(CC(=O)[O-])nn3)oc2cc1C ZINC000759084855 575884220 /nfs/dbraw/zinc/88/42/20/575884220.db2.gz RRRMBSNVAYFVCS-ARJAWSKDSA-N -1 0 325.324 2.622 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1O ZINC000759088463 575884281 /nfs/dbraw/zinc/88/42/81/575884281.db2.gz ADRMFDWVVSJYHL-HWKANZROSA-N -1 0 345.307 2.919 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(SC(F)F)cc2)nn1 ZINC000759085250 575884315 /nfs/dbraw/zinc/88/43/15/575884315.db2.gz UJYJJWDKCHVDGP-ZZXKWVIFSA-N -1 0 339.323 2.574 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C1CC1 ZINC000759229735 575887354 /nfs/dbraw/zinc/88/73/54/575887354.db2.gz BLRFAQBCAMCYIR-RNCFNFMXSA-N -1 0 330.384 2.746 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1 ZINC000759270930 575888250 /nfs/dbraw/zinc/88/82/50/575888250.db2.gz CYJZSJPQMOVIDP-BTDICHCPSA-N -1 0 327.365 2.604 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1 ZINC000759270932 575888298 /nfs/dbraw/zinc/88/82/98/575888298.db2.gz CYJZSJPQMOVIDP-FOQNGQEVSA-N -1 0 327.365 2.604 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000759496837 575893253 /nfs/dbraw/zinc/89/32/53/575893253.db2.gz DNNHBFNSILUHDB-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1nc2ccc(Cl)cc2n1C ZINC000760252681 575995807 /nfs/dbraw/zinc/99/58/07/575995807.db2.gz DEEKAPDFJVJBSK-UHFFFAOYSA-N -1 0 340.778 2.729 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000760339456 576007667 /nfs/dbraw/zinc/00/76/67/576007667.db2.gz SNAZIPGUBMIOTA-UHFFFAOYSA-N -1 0 329.377 2.784 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000760361244 576012220 /nfs/dbraw/zinc/01/22/20/576012220.db2.gz PHIZULQSTAWGHD-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000761288341 576140745 /nfs/dbraw/zinc/14/07/45/576140745.db2.gz BAIQSAFKGXCCET-INIZCTEOSA-N -1 0 347.367 2.567 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc3ccc(F)cc3s2)C(=O)O1 ZINC000761476139 576167728 /nfs/dbraw/zinc/16/77/28/576167728.db2.gz RKUKZJJAODILRU-FOSCPCJNSA-N -1 0 331.324 2.664 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761953954 576233630 /nfs/dbraw/zinc/23/36/30/576233630.db2.gz IBLUASHZFMEEDA-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM C#CCOCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000762327140 576289799 /nfs/dbraw/zinc/28/97/99/576289799.db2.gz CXWBGIGMKHVHPD-UHFFFAOYSA-N -1 0 332.581 2.787 20 30 EFEDRM CCN(CC)c1ccnc(N=NC(C)c2ccc(CC(=O)[O-])cc2)n1 ZINC000762618790 576318661 /nfs/dbraw/zinc/31/86/61/576318661.db2.gz XTXMPLAJNTXHKC-UHFFFAOYSA-N -1 0 341.415 2.786 20 30 EFEDRM COC(=O)c1coc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000763173682 576365604 /nfs/dbraw/zinc/36/56/04/576365604.db2.gz BKIQFAQPVYBBHT-SNAWJCMRSA-N -1 0 344.319 2.598 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000763252595 576369704 /nfs/dbraw/zinc/36/97/04/576369704.db2.gz OITIPVCYTCPMGH-UHFFFAOYSA-N -1 0 327.409 2.827 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2c(F)cccc2N2CCCC2)nc1 ZINC000763367997 576374377 /nfs/dbraw/zinc/37/43/77/576374377.db2.gz IIMAOKZEOHBTEZ-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000763368915 576374579 /nfs/dbraw/zinc/37/45/79/576374579.db2.gz CFKZHFCYXLRQQX-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCC(=O)N2C ZINC000763372407 576374621 /nfs/dbraw/zinc/37/46/21/576374621.db2.gz XOTYNIASBHCMJI-UHFFFAOYSA-N -1 0 338.367 2.525 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cn1)c1c(Cl)nc2sccn21 ZINC000763370524 576374702 /nfs/dbraw/zinc/37/47/02/576374702.db2.gz QMFOGMVCNLFNNQ-UHFFFAOYSA-N -1 0 335.776 2.979 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)s1 ZINC000763372812 576374733 /nfs/dbraw/zinc/37/47/33/576374733.db2.gz ANNYMYDKBBETLZ-JTQLQIEISA-N -1 0 337.426 2.797 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cncc(F)c2)ccc1OCCC(=O)[O-] ZINC000763373455 576374748 /nfs/dbraw/zinc/37/47/48/576374748.db2.gz LMZKYTFCQTVKLF-RQOWECAXSA-N -1 0 345.326 2.979 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2ccc(O)c(Br)c2)nc1 ZINC000763376945 576374921 /nfs/dbraw/zinc/37/49/21/576374921.db2.gz JDGYCWDIQVFKAD-UHFFFAOYSA-N -1 0 336.145 2.694 20 30 EFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)c1ccccc1 ZINC000764287052 576446424 /nfs/dbraw/zinc/44/64/24/576446424.db2.gz FZEVTFXMFZXRIB-HNNXBMFYSA-N -1 0 339.457 2.607 20 30 EFEDRM N#CC(=C([O-])c1sc(N2CCCC2)nc1Cl)c1ccncn1 ZINC000764809109 576506331 /nfs/dbraw/zinc/50/63/31/576506331.db2.gz GJIAJUISHGXGGK-SECBINFHSA-N -1 0 333.804 2.677 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000765992113 577096239 /nfs/dbraw/zinc/09/62/39/577096239.db2.gz GRMKIFGHDSQTKQ-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)c(Cl)cc1O ZINC000765995395 577096656 /nfs/dbraw/zinc/09/66/56/577096656.db2.gz SAZSMMOOHINTNG-UHFFFAOYSA-N -1 0 328.159 2.734 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766244093 577125924 /nfs/dbraw/zinc/12/59/24/577125924.db2.gz TWWLCFLNPBFQHA-GFCCVEGCSA-N -1 0 346.408 2.873 20 30 EFEDRM Cc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1C#N ZINC000766290270 577131578 /nfs/dbraw/zinc/13/15/78/577131578.db2.gz UXQLDJOIWVPBAJ-JYRVWZFOSA-N -1 0 346.433 2.933 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000766501089 577158649 /nfs/dbraw/zinc/15/86/49/577158649.db2.gz FBONXMAKKCPYNZ-ONEGZZNKSA-N -1 0 347.279 2.585 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1 ZINC000766503113 577158884 /nfs/dbraw/zinc/15/88/84/577158884.db2.gz USOXMACYSVOLNM-AATRIKPKSA-N -1 0 344.319 2.816 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000766503114 577158949 /nfs/dbraw/zinc/15/89/49/577158949.db2.gz USOXMACYSVOLNM-WAYWQWQTSA-N -1 0 344.319 2.816 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])CC(C)C)cc1OC ZINC000766924916 577188272 /nfs/dbraw/zinc/18/82/72/577188272.db2.gz UAXSKEBADMYAPI-VQHVLOKHSA-N -1 0 347.411 2.842 20 30 EFEDRM CC(=O)c1cccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000767442616 577208689 /nfs/dbraw/zinc/20/86/89/577208689.db2.gz IWKICVPXQWGAJN-CQSZACIVSA-N -1 0 342.376 2.687 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000767563521 577214690 /nfs/dbraw/zinc/21/46/90/577214690.db2.gz RBFZCAQETAKURT-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM COc1ccc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737983352 577221134 /nfs/dbraw/zinc/22/11/34/577221134.db2.gz UNEMSHSWSRDGQD-PMQIGOLDSA-N -1 0 337.331 2.949 20 30 EFEDRM COc1ccc(N=NCc2ccccc2OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000767801202 577234791 /nfs/dbraw/zinc/23/47/91/577234791.db2.gz HTSOBKCSPIVFTO-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM COc1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000767801451 577234809 /nfs/dbraw/zinc/23/48/09/577234809.db2.gz LRJCPCHRLZLUCB-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnn(-c2ccccc2)c1 ZINC000725859020 577253342 /nfs/dbraw/zinc/25/33/42/577253342.db2.gz JTKWWNXRZYTNIE-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000737689480 577254164 /nfs/dbraw/zinc/25/41/64/577254164.db2.gz PNEJVYFMSAYQSU-SNVBAGLBSA-N -1 0 328.299 2.693 20 30 EFEDRM CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(O)c1 ZINC000768241229 577262537 /nfs/dbraw/zinc/26/25/37/577262537.db2.gz PVBMWYGCGMVKOZ-UHFFFAOYSA-N -1 0 337.423 2.985 20 30 EFEDRM N#C[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000739073680 577264192 /nfs/dbraw/zinc/26/41/92/577264192.db2.gz FKYQCPZRURIRDG-LLVKDONJSA-N -1 0 347.223 2.882 20 30 EFEDRM N#C[C@@H](NC(=O)CCCNC(=O)[O-])c1c(Cl)cccc1Cl ZINC000739073948 577264770 /nfs/dbraw/zinc/26/47/70/577264770.db2.gz GEOGAMXVVJUQFH-SNVBAGLBSA-N -1 0 330.171 2.722 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000739077132 577267943 /nfs/dbraw/zinc/26/79/43/577267943.db2.gz IPDMPMKQUCBKQL-QWRGUYRKSA-N -1 0 327.167 2.534 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000739077131 577267946 /nfs/dbraw/zinc/26/79/46/577267946.db2.gz IPDMPMKQUCBKQL-MNOVXSKESA-N -1 0 327.167 2.534 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000768355280 577268250 /nfs/dbraw/zinc/26/82/50/577268250.db2.gz OUWYVMQFXSQGGV-JTQLQIEISA-N -1 0 342.783 2.799 20 30 EFEDRM COC(=O)c1ccc([O-])c(C=NNc2cc(C#N)cc(Cl)n2)c1 ZINC000768374721 577269611 /nfs/dbraw/zinc/26/96/11/577269611.db2.gz JKGZKUCORSAOLX-UHFFFAOYSA-N -1 0 330.731 2.545 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000739087629 577273524 /nfs/dbraw/zinc/27/35/24/577273524.db2.gz LHDVTZOADKPKMN-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1ccccc1OCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739147244 577284901 /nfs/dbraw/zinc/28/49/01/577284901.db2.gz QXTFOZDEVQSAEU-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739146586 577284912 /nfs/dbraw/zinc/28/49/12/577284912.db2.gz IJEZYDXBXUYRDL-UHFFFAOYSA-N -1 0 329.287 2.805 20 30 EFEDRM Cc1nn(Cc2c3ccccc3sc2C(=O)[O-])c(=O)c(C#N)c1C ZINC000738926605 577296839 /nfs/dbraw/zinc/29/68/39/577296839.db2.gz IEMCWJJOAZFHOW-UHFFFAOYSA-N -1 0 339.376 2.693 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(F)c1 ZINC000737946992 577303464 /nfs/dbraw/zinc/30/34/64/577303464.db2.gz GADHCYDOQYSGBN-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM Cc1noc(C)c1[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738942249 577320975 /nfs/dbraw/zinc/32/09/75/577320975.db2.gz YXQPVJVKAOUGDD-RFAUZJTJSA-N -1 0 328.324 2.636 20 30 EFEDRM COC(=O)N1CCC[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000726428515 577364433 /nfs/dbraw/zinc/36/44/33/577364433.db2.gz BXYVCTCTIITQCR-FQKZPNAISA-N -1 0 341.751 2.604 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769508130 577368542 /nfs/dbraw/zinc/36/85/42/577368542.db2.gz SSKWIALMMCRBEB-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM Cc1nnc(NN=C2CCCc3ccc(Br)cc32)[n-]c1=O ZINC000769568838 577372923 /nfs/dbraw/zinc/37/29/23/577372923.db2.gz MDGIXSVDJXSCOT-UHFFFAOYSA-N -1 0 348.204 2.801 20 30 EFEDRM COCCN(C(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737764920 577378505 /nfs/dbraw/zinc/37/85/05/577378505.db2.gz KICLETRRUPYOJB-UHFFFAOYSA-N -1 0 339.351 2.941 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1 ZINC000726732654 577382252 /nfs/dbraw/zinc/38/22/52/577382252.db2.gz INAQSKBMCHDEGE-AWEZNQCLSA-N -1 0 338.354 2.878 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21 ZINC000726733079 577382355 /nfs/dbraw/zinc/38/23/55/577382355.db2.gz PKNUETICHGFERG-HNNXBMFYSA-N -1 0 326.400 2.890 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccnc(Br)c1 ZINC000769804408 577386510 /nfs/dbraw/zinc/38/65/10/577386510.db2.gz HUKWNXQTJOPQBR-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM CC(C)(C)n1ncc2c1nc(N=NC=CCc1ccco1)[n-]c2=O ZINC000769806662 577386751 /nfs/dbraw/zinc/38/67/51/577386751.db2.gz AJNDBACZDXUBPL-RGPRWDKUSA-N -1 0 326.360 2.991 20 30 EFEDRM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000769818417 577387669 /nfs/dbraw/zinc/38/76/69/577387669.db2.gz KKUHHAJXWBLGCS-UHFFFAOYSA-N -1 0 330.779 2.949 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000769822801 577387982 /nfs/dbraw/zinc/38/79/82/577387982.db2.gz MHFBOBAMZJWPHJ-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(C(C)(C)c2ccccc2)nc1C ZINC000770106500 577402363 /nfs/dbraw/zinc/40/23/63/577402363.db2.gz MPDAZIKQBKICMJ-ZDUSSCGKSA-N -1 0 341.436 2.846 20 30 EFEDRM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000770376499 577413689 /nfs/dbraw/zinc/41/36/89/577413689.db2.gz IKQNTSYPDABIRJ-QMMMGPOBSA-N -1 0 337.184 2.592 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770433527 577417962 /nfs/dbraw/zinc/41/79/62/577417962.db2.gz TUTAQOPOLGLVJU-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM Cc1cc(C)n([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738370901 577420443 /nfs/dbraw/zinc/42/04/43/577420443.db2.gz WMUBEMZNSMIWJH-SUMWQHHRSA-N -1 0 341.367 2.692 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000770505203 577422117 /nfs/dbraw/zinc/42/21/17/577422117.db2.gz XMVOWKPSTRFCGK-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000770866562 581143497 /nfs/dbraw/zinc/14/34/97/581143497.db2.gz UBHACUCHTVVXMH-KCYZZUKISA-N -1 0 345.443 2.789 20 30 EFEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770868168 581143513 /nfs/dbraw/zinc/14/35/13/581143513.db2.gz FGZPYHOQOCTYMK-JTQLQIEISA-N -1 0 330.413 2.688 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCC)cc1Cl ZINC000770898264 581147607 /nfs/dbraw/zinc/14/76/07/581147607.db2.gz PJMRINBDHDEUJZ-UHFFFAOYSA-N -1 0 331.821 2.765 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c(Cl)c1C ZINC000771054694 581169504 /nfs/dbraw/zinc/16/95/04/581169504.db2.gz CPCFDRHYKAMOKR-UHFFFAOYSA-N -1 0 340.832 2.710 20 30 EFEDRM Cc1cc2occ(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)c2cc1C ZINC000771071322 581171211 /nfs/dbraw/zinc/17/12/11/581171211.db2.gz LRSWCTQZVLSHIP-UHFFFAOYSA-N -1 0 346.408 2.803 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000771071762 581171446 /nfs/dbraw/zinc/17/14/46/581171446.db2.gz NUGUKLFBICLLRD-UHFFFAOYSA-N -1 0 347.223 2.747 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCCCC1 ZINC000771075177 581171920 /nfs/dbraw/zinc/17/19/20/581171920.db2.gz HFQNFYKGOSYXIB-CYBMUJFWSA-N -1 0 326.462 2.733 20 30 EFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771075906 581171989 /nfs/dbraw/zinc/17/19/89/581171989.db2.gz KHPKRHVNCYRMAN-AWEZNQCLSA-N -1 0 334.441 2.710 20 30 EFEDRM CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771076764 581172192 /nfs/dbraw/zinc/17/21/92/581172192.db2.gz BWLRRUONRFSDOJ-UHFFFAOYSA-N -1 0 348.468 2.882 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCCC2)CCC1 ZINC000771076996 581172221 /nfs/dbraw/zinc/17/22/21/581172221.db2.gz AZKXMPGTZKJGSY-UHFFFAOYSA-N -1 0 346.452 2.638 20 30 EFEDRM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771077287 581172225 /nfs/dbraw/zinc/17/22/25/581172225.db2.gz DUSXDHQWKRSMGI-UHFFFAOYSA-N -1 0 340.470 2.519 20 30 EFEDRM CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771078042 581172257 /nfs/dbraw/zinc/17/22/57/581172257.db2.gz ILWXJSUIJXMENB-MRXNPFEDSA-N -1 0 348.468 2.641 20 30 EFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771077752 581172260 /nfs/dbraw/zinc/17/22/60/581172260.db2.gz GZZYTJADCPJZJL-INIZCTEOSA-N -1 0 348.468 2.956 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)CCC1 ZINC000771079190 581172471 /nfs/dbraw/zinc/17/24/71/581172471.db2.gz KOMMZSJMKFGDRO-UHFFFAOYSA-N -1 0 342.420 2.522 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCC(C)CC1 ZINC000771079742 581172502 /nfs/dbraw/zinc/17/25/02/581172502.db2.gz JXCLZYIIDBIBIW-YMAMQOFZSA-N -1 0 340.489 2.979 20 30 EFEDRM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(F)cc(Cl)c1[O-] ZINC000771511577 581219825 /nfs/dbraw/zinc/21/98/25/581219825.db2.gz NCNFSMHWDORPEF-UHFFFAOYSA-N -1 0 333.702 2.904 20 30 EFEDRM CC(C)CNN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000771567061 581223247 /nfs/dbraw/zinc/22/32/47/581223247.db2.gz NALBBDOWRMPUDM-UHFFFAOYSA-N -1 0 331.338 2.806 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000772708739 581358073 /nfs/dbraw/zinc/35/80/73/581358073.db2.gz AKSOBXFBFCPQGR-NSHDSACASA-N -1 0 332.425 2.538 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000772715095 581359181 /nfs/dbraw/zinc/35/91/81/581359181.db2.gz GMUQTHRWONDZNN-UHFFFAOYSA-N -1 0 335.356 2.864 20 30 EFEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000772798092 581369619 /nfs/dbraw/zinc/36/96/19/581369619.db2.gz SLLPRIFGASCXOK-KTAJNNJTSA-N -1 0 340.291 2.527 20 30 EFEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000772798095 581369664 /nfs/dbraw/zinc/36/96/64/581369664.db2.gz SLLPRIFGASCXOK-ORCRQEGFSA-N -1 0 340.291 2.527 20 30 EFEDRM C[C@@H](O)c1ncc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000772991570 581386101 /nfs/dbraw/zinc/38/61/01/581386101.db2.gz VHKHULKHGJDBAE-SSDOTTSWSA-N -1 0 325.777 2.994 20 30 EFEDRM O=C([O-])c1ccc(N=NC2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000773079663 581394648 /nfs/dbraw/zinc/39/46/48/581394648.db2.gz OOKKFCJBJOOINI-UHFFFAOYSA-N -1 0 326.312 2.841 20 30 EFEDRM COc1ccc(CN=Nc2nccnc2C(C)C)c(OCC(=O)[O-])c1 ZINC000773085465 581395178 /nfs/dbraw/zinc/39/51/78/581395178.db2.gz JBDCXGMLERMQIK-UHFFFAOYSA-N -1 0 344.371 2.518 20 30 EFEDRM CC(C)c1nccnc1N=NCc1cccc(OCCC(=O)[O-])c1 ZINC000773085009 581395208 /nfs/dbraw/zinc/39/52/08/581395208.db2.gz AVMYDOLUEJZLRM-UHFFFAOYSA-N -1 0 328.372 2.900 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773731897 581459134 /nfs/dbraw/zinc/45/91/34/581459134.db2.gz XHHVJBKKRKHLBC-SNVBAGLBSA-N -1 0 327.296 2.844 20 30 EFEDRM C[C@H](Cc1ccccc1)n1cccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000773769016 581463223 /nfs/dbraw/zinc/46/32/23/581463223.db2.gz IJGJRQLLBZRUID-PBHICJAKSA-N -1 0 335.407 2.893 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)co1 ZINC000773978320 581476541 /nfs/dbraw/zinc/47/65/41/581476541.db2.gz BMZLRYQEOFWPBL-VIFPVBQESA-N -1 0 333.731 2.688 20 30 EFEDRM COC(=O)c1coc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)c1 ZINC000774119369 581484313 /nfs/dbraw/zinc/48/43/13/581484313.db2.gz MLJUPBYZGPKYSM-UITAMQMPSA-N -1 0 330.292 2.878 20 30 EFEDRM COC(=O)c1coc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000774125879 581484601 /nfs/dbraw/zinc/48/46/01/581484601.db2.gz CQHXFHGIYOAGOK-MLRMMBSGSA-N -1 0 344.319 2.814 20 30 EFEDRM COC(=O)c1coc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000774125882 581484632 /nfs/dbraw/zinc/48/46/32/581484632.db2.gz CQHXFHGIYOAGOK-XUIVZRPNSA-N -1 0 344.319 2.814 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2\CC(=O)Nc3ccccc3C2=O)c1 ZINC000774147034 581485539 /nfs/dbraw/zinc/48/55/39/581485539.db2.gz XXKOYMGVIXUTBK-MDWZMJQESA-N -1 0 337.331 2.759 20 30 EFEDRM Cc1cc(C(=O)N(C)CCC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738203467 597011298 /nfs/dbraw/zinc/01/12/98/597011298.db2.gz OQPDJJXQBPQWKD-UHFFFAOYSA-N -1 0 325.368 2.513 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817675274 597121350 /nfs/dbraw/zinc/12/13/50/597121350.db2.gz IPTLZUHRDYOMMS-LBPRGKRZSA-N -1 0 334.347 2.556 20 30 EFEDRM N#Cc1ccccc1COc1cccc(C(=O)NCCCC(=O)[O-])c1 ZINC000819106235 597276421 /nfs/dbraw/zinc/27/64/21/597276421.db2.gz IEQGNBOZIATWRS-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM N#Cc1ccccc1Oc1ccc(C(=O)NCC(=O)[O-])cc1Cl ZINC000821340642 597467551 /nfs/dbraw/zinc/46/75/51/597467551.db2.gz TWNNVZPAPUVRON-UHFFFAOYSA-N -1 0 330.727 2.818 20 30 EFEDRM CCOc1ccc(C2=CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC000820386944 597607941 /nfs/dbraw/zinc/60/79/41/597607941.db2.gz BZKOSPQDEFWLGC-LJQANCHMSA-N -1 0 342.395 2.706 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1-c1ccccc1Cl ZINC000821008416 597610477 /nfs/dbraw/zinc/61/04/77/597610477.db2.gz FSBMIRCWVXRCCG-MRXNPFEDSA-N -1 0 346.774 2.777 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1c(Cl)cccc1Cl ZINC000819866463 597612995 /nfs/dbraw/zinc/61/29/95/597612995.db2.gz XGKDZDSAISBCAS-CQSZACIVSA-N -1 0 346.166 2.920 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1cccc2ccccc21 ZINC000819874953 597613003 /nfs/dbraw/zinc/61/30/03/597613003.db2.gz SYUGLOZWLIXREG-GOSISDBHSA-N -1 0 327.336 2.766 20 30 EFEDRM Cc1ccc(-c2nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])co2)cc1 ZINC000821052213 597613891 /nfs/dbraw/zinc/61/38/91/597613891.db2.gz KAZCTNLMFYIHPB-KRWDZBQOSA-N -1 0 328.324 2.698 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820161659 597614321 /nfs/dbraw/zinc/61/43/21/597614321.db2.gz QVEWDLSKXAVRRM-SGTLLEGYSA-N -1 0 346.383 2.685 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1c(Cl)ccc2cccnc21 ZINC000819875544 597617075 /nfs/dbraw/zinc/61/70/75/597617075.db2.gz YTBLTRSJIAPGTJ-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccccc2F)o1 ZINC000819874026 597619635 /nfs/dbraw/zinc/61/96/35/597619635.db2.gz GLFKFUVDQHBIDK-MRXNPFEDSA-N -1 0 332.287 2.528 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(OC(F)(F)F)cc1 ZINC000819875149 597619773 /nfs/dbraw/zinc/61/97/73/597619773.db2.gz ULNQSYNRFDHFIS-ZDUSSCGKSA-N -1 0 331.246 2.633 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ncc(-c2cccc(F)c2)o1 ZINC000819873599 597623347 /nfs/dbraw/zinc/62/33/47/597623347.db2.gz BYJSAYNPDBKOMK-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM Cc1ccc(-c2nnc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052011 597624233 /nfs/dbraw/zinc/62/42/33/597624233.db2.gz GZTXPPAOQYHSHE-PIGZYNQJSA-N -1 0 343.339 2.654 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000819864589 597625571 /nfs/dbraw/zinc/62/55/71/597625571.db2.gz AANUYCZRQGBUIO-AWEZNQCLSA-N -1 0 344.150 2.724 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000819810895 597629410 /nfs/dbraw/zinc/62/94/10/597629410.db2.gz HHUXCEYEJJIDIS-IBGZPJMESA-N -1 0 339.395 2.878 20 30 EFEDRM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602159 597630704 /nfs/dbraw/zinc/63/07/04/597630704.db2.gz KAGMOGLTTMEMFR-IBGZPJMESA-N -1 0 343.427 2.640 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000819855815 597636262 /nfs/dbraw/zinc/63/62/62/597636262.db2.gz DEUDXVHQDRCAOL-KRWDZBQOSA-N -1 0 338.323 2.766 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000819811764 597646221 /nfs/dbraw/zinc/64/62/21/597646221.db2.gz VTSFVRSLGAKSBD-GOSISDBHSA-N -1 0 332.375 2.611 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000819873414 597659899 /nfs/dbraw/zinc/65/98/99/597659899.db2.gz BGMOFUCZPVHTEA-HIFPTAJRSA-N -1 0 331.372 2.742 20 30 EFEDRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2 ZINC000819821570 597672862 /nfs/dbraw/zinc/67/28/62/597672862.db2.gz IKGPCKIHSUEEIC-LJQANCHMSA-N -1 0 328.412 2.873 20 30 EFEDRM O=C([O-])CCNN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000821524399 597739563 /nfs/dbraw/zinc/73/95/63/597739563.db2.gz HYMZCLDBZWVHEK-UHFFFAOYSA-N -1 0 340.408 2.999 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000820730078 598154350 /nfs/dbraw/zinc/15/43/50/598154350.db2.gz JDNRTUMNXBIVHX-UHFFFAOYSA-N -1 0 338.363 2.545 20 30 EFEDRM Cc1sc2ncn(N=Cc3cccc(C(=O)[O-])c3)c(=O)c2c1C ZINC000814728991 598201063 /nfs/dbraw/zinc/20/10/63/598201063.db2.gz VJDPMOKMZAQJAR-UHFFFAOYSA-N -1 0 327.365 2.655 20 30 EFEDRM O=C([O-])c1cccc(C=NN2C(=S)N=NC2c2ccccc2F)c1 ZINC000814741870 598201106 /nfs/dbraw/zinc/20/11/06/598201106.db2.gz SBONEXPNGQRWSE-UHFFFAOYSA-N -1 0 342.355 2.953 20 30 EFEDRM CCOc1ccc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2c1 ZINC000820387001 598221629 /nfs/dbraw/zinc/22/16/29/598221629.db2.gz INWUWJYTVNEBAV-OAHLLOKOSA-N -1 0 333.369 2.638 20 30 EFEDRM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820517462 598222168 /nfs/dbraw/zinc/22/21/68/598222168.db2.gz HWXSYNMOOXTAMN-SFHVURJKSA-N -1 0 346.383 2.605 20 30 EFEDRM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820517460 598222200 /nfs/dbraw/zinc/22/22/00/598222200.db2.gz HWXSYNMOOXTAMN-GOSISDBHSA-N -1 0 346.383 2.605 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000819864999 598222337 /nfs/dbraw/zinc/22/23/37/598222337.db2.gz FVXQNGJMIMAUFL-MRXNPFEDSA-N -1 0 345.380 2.665 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000820113763 598222352 /nfs/dbraw/zinc/22/23/52/598222352.db2.gz GIRPKBYVLSVUOZ-OTYXRUKQSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000819857174 598222370 /nfs/dbraw/zinc/22/23/70/598222370.db2.gz UAFNJQMQSRTVLH-MRXNPFEDSA-N -1 0 330.340 2.671 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000819848285 598222621 /nfs/dbraw/zinc/22/26/21/598222621.db2.gz RSGIVPXHVCRSPP-LJQANCHMSA-N -1 0 348.362 2.969 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000819865888 598222847 /nfs/dbraw/zinc/22/28/47/598222847.db2.gz PJYNWGFBHYCZKB-HNNXBMFYSA-N -1 0 333.344 2.892 20 30 EFEDRM Cc1nc(-c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])s2)cs1 ZINC000821152536 598222982 /nfs/dbraw/zinc/22/29/82/598222982.db2.gz FFMDIYDCYHNRCE-OAHLLOKOSA-N -1 0 349.437 2.801 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000819847746 598223129 /nfs/dbraw/zinc/22/31/29/598223129.db2.gz OOHANKJUEBWNTM-LJQANCHMSA-N -1 0 348.362 2.944 20 30 EFEDRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821087886 598224208 /nfs/dbraw/zinc/22/42/08/598224208.db2.gz KBUASKIQIVWBMS-KRWDZBQOSA-N -1 0 331.372 2.533 20 30 EFEDRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820602277 598224526 /nfs/dbraw/zinc/22/45/26/598224526.db2.gz VGTBYRKLQQYPSQ-CQSZACIVSA-N -1 0 328.290 2.668 20 30 EFEDRM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820261576 598224528 /nfs/dbraw/zinc/22/45/28/598224528.db2.gz RSCOBOUCHAFRPB-GOSISDBHSA-N -1 0 345.399 2.548 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000820115671 598225024 /nfs/dbraw/zinc/22/50/24/598225024.db2.gz ZAPTYTIBBUAMLJ-YMTOWFKASA-N -1 0 328.290 2.887 20 30 EFEDRM CC(C)COC(=O)Nc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000819979981 598225240 /nfs/dbraw/zinc/22/52/40/598225240.db2.gz BXPSNPJBZZNFHQ-QGZVFWFLSA-N -1 0 347.371 2.834 20 30 EFEDRM CC(C)COC(=O)Nc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000819979979 598225288 /nfs/dbraw/zinc/22/52/88/598225288.db2.gz BXPSNPJBZZNFHQ-KRWDZBQOSA-N -1 0 347.371 2.834 20 30 EFEDRM CCCCc1nc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2[nH]1 ZINC000820317137 598225323 /nfs/dbraw/zinc/22/53/23/598225323.db2.gz GUPOUHPVBVMRIT-QGZVFWFLSA-N -1 0 328.372 2.849 20 30 EFEDRM CCCCc1nc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2[nH]1 ZINC000820317136 598225347 /nfs/dbraw/zinc/22/53/47/598225347.db2.gz GUPOUHPVBVMRIT-KRWDZBQOSA-N -1 0 328.372 2.849 20 30 EFEDRM CCCC(=O)Nc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000820303435 598225358 /nfs/dbraw/zinc/22/53/58/598225358.db2.gz CATBSDACBGLDTJ-KRWDZBQOSA-N -1 0 331.372 2.677 20 30 EFEDRM Cc1ccc(C)c(OC2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000821076021 598225464 /nfs/dbraw/zinc/22/54/64/598225464.db2.gz PSTFDVUENCNCJJ-LJQANCHMSA-N -1 0 344.411 2.678 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000819856819 598226768 /nfs/dbraw/zinc/22/67/68/598226768.db2.gz NJQUZKNQZONNEZ-GOSISDBHSA-N -1 0 339.351 2.604 20 30 EFEDRM CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1Cl ZINC000819833518 598227390 /nfs/dbraw/zinc/22/73/90/598227390.db2.gz HLSJRXCEZVRBGY-MRXNPFEDSA-N -1 0 340.782 2.877 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Br)ccc1F ZINC000819875548 598228165 /nfs/dbraw/zinc/22/81/65/598228165.db2.gz YUDRNSIQPHHLII-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OCC(F)(F)F ZINC000821008872 598228345 /nfs/dbraw/zinc/22/83/45/598228345.db2.gz QHGLPFQLQZLJNN-CQSZACIVSA-N -1 0 344.289 2.879 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000819811770 598228796 /nfs/dbraw/zinc/22/87/96/598228796.db2.gz VXBBJKWGVMVLMW-DYVFJYSZSA-N -1 0 332.425 2.632 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)c(Br)c1 ZINC000819846608 598228939 /nfs/dbraw/zinc/22/89/39/598228939.db2.gz DULDSEDASLDDEX-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819914799 598229144 /nfs/dbraw/zinc/22/91/44/598229144.db2.gz GYWIWECYWGWYLL-GOSISDBHSA-N -1 0 346.383 2.514 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000820211949 598229785 /nfs/dbraw/zinc/22/97/85/598229785.db2.gz ORPHXRKIOBRQCH-RTBURBONSA-N -1 0 328.412 2.862 20 30 EFEDRM CC(C)COc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819979957 598230233 /nfs/dbraw/zinc/23/02/33/598230233.db2.gz AUPLWJBOVLDVMA-ACJLOTCBSA-N -1 0 332.400 2.903 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000820115147 598230255 /nfs/dbraw/zinc/23/02/55/598230255.db2.gz UHAIEAYJUFTFKT-BBATYDOGSA-N -1 0 348.374 2.796 20 30 EFEDRM Cc1coc(-c2ccc(C)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)n1 ZINC000821147087 598230344 /nfs/dbraw/zinc/23/03/44/598230344.db2.gz WHMXAGIFROEMCD-KRWDZBQOSA-N -1 0 327.340 2.902 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(F)cc1Br ZINC000819848664 598230860 /nfs/dbraw/zinc/23/08/60/598230860.db2.gz UMCIVIQWXZICHM-GFCCVEGCSA-N -1 0 347.115 2.670 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cncc(F)c1 ZINC000735451158 599534558 /nfs/dbraw/zinc/53/45/58/599534558.db2.gz QSEPMBIRTOCFBH-UHFFFAOYSA-N -1 0 344.354 2.522 20 30 EFEDRM CCOc1ccc(C[C@@H](CNc2ncccc2C#N)C(=O)[O-])cc1 ZINC000737205329 599707670 /nfs/dbraw/zinc/70/76/70/599707670.db2.gz JITXGKABXOLAGA-HNNXBMFYSA-N -1 0 325.368 2.707 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1C#N ZINC000737175809 599709608 /nfs/dbraw/zinc/70/96/08/599709608.db2.gz FLVHIBDGFFPVBC-UHFFFAOYSA-N -1 0 328.368 2.888 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736095031 599714337 /nfs/dbraw/zinc/71/43/37/599714337.db2.gz FNTYIXAQYQJGGU-UHFFFAOYSA-N -1 0 332.129 2.946 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccccc2C#N)CC1 ZINC000736718103 599716904 /nfs/dbraw/zinc/71/69/04/599716904.db2.gz QQTJKHTWJBJVEL-CYBMUJFWSA-N -1 0 325.368 2.733 20 30 EFEDRM Cc1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)oc1C(=O)[O-] ZINC000738386030 599718306 /nfs/dbraw/zinc/71/83/06/599718306.db2.gz RGZRAMJRQWAGDY-UHFFFAOYSA-N -1 0 343.358 2.619 20 30 EFEDRM N#Cc1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000739139127 599722602 /nfs/dbraw/zinc/72/26/02/599722602.db2.gz FLKAWZRCWQOUTN-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)[O-])cc2)cc1 ZINC000739129831 599727600 /nfs/dbraw/zinc/72/76/00/599727600.db2.gz GRTVUXJYAGNYSC-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM COc1ccc([C@H](NC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])cc1 ZINC000737960148 599758931 /nfs/dbraw/zinc/75/89/31/599758931.db2.gz VFPNZWNPIYQGEA-MZEUMTGBSA-N -1 0 336.347 2.522 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000739119081 599783427 /nfs/dbraw/zinc/78/34/27/599783427.db2.gz XLDMTSFBFWNNSC-MRXNPFEDSA-N -1 0 343.770 2.566 20 30 EFEDRM CCn1nc(C)c(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000737309110 599794298 /nfs/dbraw/zinc/79/42/98/599794298.db2.gz FPEQZFAXJBBAFV-MDZDMXLPSA-N -1 0 328.368 2.879 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890418 599798511 /nfs/dbraw/zinc/79/85/11/599798511.db2.gz APHBDLJVDITYHT-WFASDCNBSA-N -1 0 345.399 2.895 20 30 EFEDRM Cc1ccc(-c2csc(C(C#N)C(=O)CCNC(=O)[O-])n2)cc1 ZINC000738488060 599798695 /nfs/dbraw/zinc/79/86/95/599798695.db2.gz FTSPZUWCMXKLBN-GFCCVEGCSA-N -1 0 329.381 2.953 20 30 EFEDRM N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000739074955 599799160 /nfs/dbraw/zinc/79/91/60/599799160.db2.gz NXVJMKIDMPDTOH-AWEZNQCLSA-N -1 0 339.351 2.535 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736895510 599801701 /nfs/dbraw/zinc/80/17/01/599801701.db2.gz PQSQHEMURIPYCF-UHFFFAOYSA-N -1 0 344.458 2.787 20 30 EFEDRM N#Cc1ccc(-c2ccn(CC(=O)Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000739101806 599827176 /nfs/dbraw/zinc/82/71/76/599827176.db2.gz LXSPXDUXJKKHTK-UHFFFAOYSA-N -1 0 346.346 2.759 20 30 EFEDRM N#Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739132359 599830624 /nfs/dbraw/zinc/83/06/24/599830624.db2.gz LWBGHXBOQOQBDI-UHFFFAOYSA-N -1 0 330.290 2.563 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000738432291 599833971 /nfs/dbraw/zinc/83/39/71/599833971.db2.gz HJBKEVADGIXZCW-QGZVFWFLSA-N -1 0 336.347 2.831 20 30 EFEDRM C=CCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736098148 599835102 /nfs/dbraw/zinc/83/51/02/599835102.db2.gz SIJWSIVLBGWDON-CQSZACIVSA-N -1 0 326.190 2.831 20 30 EFEDRM Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000826243497 607399601 /nfs/dbraw/zinc/39/96/01/607399601.db2.gz KHGMOQUBQOFYDI-ZDUSSCGKSA-N -1 0 344.334 2.806 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])cc1 ZINC000739093012 599856911 /nfs/dbraw/zinc/85/69/11/599856911.db2.gz YHXCGKNBEARDEU-UHFFFAOYSA-N -1 0 327.315 2.641 20 30 EFEDRM C[C@@H](CN(C)C(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000736574401 599875251 /nfs/dbraw/zinc/87/52/51/599875251.db2.gz CSLOMUKSLMHWGE-LBPRGKRZSA-N -1 0 342.351 2.523 20 30 EFEDRM C=CCCC(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736097402 599885976 /nfs/dbraw/zinc/88/59/76/599885976.db2.gz KRWZWTFFSNPGCG-UHFFFAOYSA-N -1 0 337.397 2.773 20 30 EFEDRM CCOc1cccc(/C=N\CCOc2ccc(C(=O)[O-])cc2)c1O ZINC000737211810 599886363 /nfs/dbraw/zinc/88/63/63/599886363.db2.gz WOVWDALJOMAJKM-UNOMPAQXSA-N -1 0 329.352 2.987 20 30 EFEDRM C#Cc1cccc(NC(=S)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000736090719 599886958 /nfs/dbraw/zinc/88/69/58/599886958.db2.gz IBHRZSNBUCIHHR-UHFFFAOYSA-N -1 0 340.404 2.732 20 30 EFEDRM N#Cc1ccc(SCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000739132926 599895478 /nfs/dbraw/zinc/89/54/78/599895478.db2.gz WROKBGZZMCUYHQ-UHFFFAOYSA-N -1 0 327.361 2.883 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000739131632 599905037 /nfs/dbraw/zinc/90/50/37/599905037.db2.gz CQLZSONVOIQGHU-BPUTZDHNSA-N -1 0 344.436 2.895 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC000739118610 599905174 /nfs/dbraw/zinc/90/51/74/599905174.db2.gz VOMYIGDILNFFDV-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2cc(C(=O)[O-])ccc2O)o1 ZINC000736298645 599906315 /nfs/dbraw/zinc/90/63/15/599906315.db2.gz FNTCIVGXOONKFM-UHFFFAOYSA-N -1 0 328.328 2.694 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000740161937 599907219 /nfs/dbraw/zinc/90/72/19/599907219.db2.gz VIBBUBLTZUDPJK-UHFFFAOYSA-N -1 0 346.393 2.581 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2ccccc2-n2cncn2)cc1 ZINC000739818759 599907843 /nfs/dbraw/zinc/90/78/43/599907843.db2.gz BYVNXTYVBXYEQR-JXMROGBWSA-N -1 0 349.346 2.627 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000736091439 599925727 /nfs/dbraw/zinc/92/57/27/599925727.db2.gz SWHDSEPKHJADRF-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM Cc1ncc(CO)c(/C=N\[C@@H](CCC(=O)[O-])c2ccccc2)c1O ZINC000738884776 599926157 /nfs/dbraw/zinc/92/61/57/599926157.db2.gz CLSOGBPZTVABKJ-OBLBUWMUSA-N -1 0 328.368 2.613 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000107885651 599932074 /nfs/dbraw/zinc/93/20/74/599932074.db2.gz BLGHVAZJHXDQDN-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM N#CC1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CCCCC1 ZINC000739066535 599941532 /nfs/dbraw/zinc/94/15/32/599941532.db2.gz OFFYDBAVEBYHHJ-AWEZNQCLSA-N -1 0 332.375 2.659 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(O[C@H](C)C#N)cc2)C(C(=O)[O-])=C1C ZINC000736106834 599983462 /nfs/dbraw/zinc/98/34/62/599983462.db2.gz MOMGBPZLAASSBL-BDJLRTHQSA-N -1 0 341.367 2.588 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@@H](c2cccc(OCC#N)c2)C(C(=O)[O-])=C1C ZINC000736881841 599984714 /nfs/dbraw/zinc/98/47/14/599984714.db2.gz CCMNXHRPGHAQIK-BZNIZROVSA-N -1 0 343.383 2.812 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=O)N1C1CC1 ZINC000736752274 599984777 /nfs/dbraw/zinc/98/47/77/599984777.db2.gz VUJVIYLLBFTMFM-QFYYESIMSA-N -1 0 341.367 2.565 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(O[C@H](C)C#N)cc2)NC(=O)N1C1CC1 ZINC000736752276 599984798 /nfs/dbraw/zinc/98/47/98/599984798.db2.gz VUJVIYLLBFTMFM-QLJPJBMISA-N -1 0 341.367 2.565 20 30 EFEDRM N#Cc1cc(F)ccc1COC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000739099330 599994405 /nfs/dbraw/zinc/99/44/05/599994405.db2.gz UVDXXLNQPXFWLD-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736095385 599997453 /nfs/dbraw/zinc/99/74/53/599997453.db2.gz TVAOFZJDZFAWNU-GFCCVEGCSA-N -1 0 334.372 2.746 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736107916 599997545 /nfs/dbraw/zinc/99/75/45/599997545.db2.gz AMTUHBCYDVKPMJ-LBPRGKRZSA-N -1 0 332.356 2.522 20 30 EFEDRM C#CCCOC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000736077206 600002093 /nfs/dbraw/zinc/00/20/93/600002093.db2.gz OUWFMMMFWLTYEA-UHFFFAOYSA-N -1 0 340.379 2.686 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNCc1ccccc1Cl ZINC000738922022 600006095 /nfs/dbraw/zinc/00/60/95/600006095.db2.gz BXUPVXDMCSTTGE-UHFFFAOYSA-N -1 0 334.807 2.752 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc(C)c(F)c1 ZINC000736125345 600016668 /nfs/dbraw/zinc/01/66/68/600016668.db2.gz HQYVUKRRUPFURU-HNNXBMFYSA-N -1 0 346.358 2.538 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(C)c(F)c1 ZINC000736125350 600016763 /nfs/dbraw/zinc/01/67/63/600016763.db2.gz HQYVUKRRUPFURU-OAHLLOKOSA-N -1 0 346.358 2.538 20 30 EFEDRM C=CCn1c(Cc2ccccc2)nn(CN(CC)CC(=O)[O-])c1=S ZINC000736116941 600026452 /nfs/dbraw/zinc/02/64/52/600026452.db2.gz GIOOCOGHPDOULG-UHFFFAOYSA-N -1 0 346.456 2.555 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)o1 ZINC000740124318 600030090 /nfs/dbraw/zinc/03/00/90/600030090.db2.gz VHFVHYWQRKQLAV-RJRFIUFISA-N -1 0 327.214 2.993 20 30 EFEDRM N#CCOc1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000739086683 600033398 /nfs/dbraw/zinc/03/33/98/600033398.db2.gz BQFSULZPLKMQOH-WTKPLQERSA-N -1 0 337.331 2.948 20 30 EFEDRM C=C(Cl)CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000736094593 600044010 /nfs/dbraw/zinc/04/40/10/600044010.db2.gz OLSVYDXULAVNSX-ZDUSSCGKSA-N -1 0 325.792 2.830 20 30 EFEDRM C=C(Cl)CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000736094592 600043921 /nfs/dbraw/zinc/04/39/21/600043921.db2.gz OLSVYDXULAVNSX-CYBMUJFWSA-N -1 0 325.792 2.830 20 30 EFEDRM N#C[C@H](C(=O)c1cccc(NC(=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000739074940 600056859 /nfs/dbraw/zinc/05/68/59/600056859.db2.gz NQJKSWQIWPFBBO-CYBMUJFWSA-N -1 0 339.355 2.584 20 30 EFEDRM C#Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])nc1 ZINC000736091588 600062773 /nfs/dbraw/zinc/06/27/73/600062773.db2.gz ZAYYJWFOIHTHGD-UHFFFAOYSA-N -1 0 346.136 2.743 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])c1 ZINC000738701847 600064403 /nfs/dbraw/zinc/06/44/03/600064403.db2.gz GQYNMJYODGKQBH-ZBTAVZRMSA-N -1 0 348.402 2.940 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738473894 600070928 /nfs/dbraw/zinc/07/09/28/600070928.db2.gz FDRXCBJJQVNYFZ-KGLIPLIRSA-N -1 0 337.335 2.713 20 30 EFEDRM N#C[C@H](NC(=O)CCSCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000739074654 600072517 /nfs/dbraw/zinc/07/25/17/600072517.db2.gz KQTDDPFRKSXQHN-NSHDSACASA-N -1 0 346.330 2.594 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(C(F)(F)F)c1 ZINC000739075612 600072613 /nfs/dbraw/zinc/07/26/13/600072613.db2.gz UCYUKTVAPHRPKQ-ZDUSSCGKSA-N -1 0 349.268 2.793 20 30 EFEDRM N#CCCCCS(=O)(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC000739072047 600081589 /nfs/dbraw/zinc/08/15/89/600081589.db2.gz DNLICBWFORHOIK-UHFFFAOYSA-N -1 0 333.365 2.940 20 30 EFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736090685 600083823 /nfs/dbraw/zinc/08/38/23/600083823.db2.gz GRLFYEHEYVBLQG-UHFFFAOYSA-N -1 0 333.365 2.563 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736217702 600083825 /nfs/dbraw/zinc/08/38/25/600083825.db2.gz FAPQVKOTFCKEKB-LBPRGKRZSA-N -1 0 335.363 2.599 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739140433 600087476 /nfs/dbraw/zinc/08/74/76/600087476.db2.gz TVQUEAHGLUOPIS-UHFFFAOYSA-N -1 0 329.287 2.805 20 30 EFEDRM N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000739074489 600099987 /nfs/dbraw/zinc/09/99/87/600099987.db2.gz KMFPIGSXIRUGBC-MRXNPFEDSA-N -1 0 336.347 2.665 20 30 EFEDRM C=CCc1ccc(OCC(=O)Nc2cc(C)[nH]c2C(=O)[O-])c(OC)c1 ZINC000736114780 600122970 /nfs/dbraw/zinc/12/29/70/600122970.db2.gz RKHNVIRFHAZFJI-UHFFFAOYSA-N -1 0 344.367 2.776 20 30 EFEDRM CON=Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000737838709 600124346 /nfs/dbraw/zinc/12/43/46/600124346.db2.gz AERDZJQUTNEPFT-UHFFFAOYSA-N -1 0 341.319 2.787 20 30 EFEDRM CC[C@](NCC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000736917485 600132003 /nfs/dbraw/zinc/13/20/03/600132003.db2.gz MZZKEWOQOACNKQ-QGZVFWFLSA-N -1 0 343.408 2.538 20 30 EFEDRM C#CCOc1cccc(OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736087920 600148655 /nfs/dbraw/zinc/14/86/55/600148655.db2.gz MJILRHGZOWQOAN-UHFFFAOYSA-N -1 0 349.342 2.957 20 30 EFEDRM COc1ccc(O)c(/C=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000738042366 600153674 /nfs/dbraw/zinc/15/36/74/600153674.db2.gz RZNRILZNHXFZSJ-LASGFXPTSA-N -1 0 338.363 2.997 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736108648 600163110 /nfs/dbraw/zinc/16/31/10/600163110.db2.gz LQGTYHYLZONWFY-UHFFFAOYSA-N -1 0 331.393 2.907 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3nc(-c4ccncc4)no3)c2c1 ZINC000740190221 600182162 /nfs/dbraw/zinc/18/21/62/600182162.db2.gz MYZIHNFMYNPUDS-UHFFFAOYSA-N -1 0 348.322 2.757 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000738501587 600183900 /nfs/dbraw/zinc/18/39/00/600183900.db2.gz VSNVGHZGUSCLGL-UHFFFAOYSA-N -1 0 339.351 2.652 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000738433515 600193186 /nfs/dbraw/zinc/19/31/86/600193186.db2.gz GSVDHRFSFNQTDX-MRXNPFEDSA-N -1 0 330.384 2.573 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000739087347 600202363 /nfs/dbraw/zinc/20/23/63/600202363.db2.gz HVZQGQLAYJDARH-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000738433443 600202415 /nfs/dbraw/zinc/20/24/15/600202415.db2.gz CVXVZHIREBUFOY-UHFFFAOYSA-N -1 0 344.411 2.867 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1C ZINC000737108224 600245106 /nfs/dbraw/zinc/24/51/06/600245106.db2.gz GPUBLVKAAGMPOH-UHFFFAOYSA-N -1 0 344.392 2.780 20 30 EFEDRM CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736384423 600247363 /nfs/dbraw/zinc/24/73/63/600247363.db2.gz DWKOENPGOSLFDY-INIZCTEOSA-N -1 0 339.351 2.585 20 30 EFEDRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1ccc(C#N)cc1 ZINC000738084930 600249995 /nfs/dbraw/zinc/24/99/95/600249995.db2.gz JKNHXQLGHNEZNX-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C=NOC)cc1)(C(=O)[O-])c1ccccc1 ZINC000736917190 600258616 /nfs/dbraw/zinc/25/86/16/600258616.db2.gz QMTQAJWLOHVQKO-IBGZPJMESA-N -1 0 340.379 2.787 20 30 EFEDRM C=CC[C@H](C)NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736095899 600266262 /nfs/dbraw/zinc/26/62/62/600266262.db2.gz CKCXELVABJYCIF-UONOGXRCSA-N -1 0 331.416 2.570 20 30 EFEDRM C=CC[C@@H](C)NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736095897 600266441 /nfs/dbraw/zinc/26/64/41/600266441.db2.gz CKCXELVABJYCIF-KGLIPLIRSA-N -1 0 331.416 2.570 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1=S ZINC000736118177 600279080 /nfs/dbraw/zinc/27/90/80/600279080.db2.gz RGGRNHBXXWOYBA-ZDUSSCGKSA-N -1 0 348.472 2.622 20 30 EFEDRM CN(Cc1ccc(NC(=O)COc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737479267 600286640 /nfs/dbraw/zinc/28/66/40/600286640.db2.gz QQCVISGBXCHFMS-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737839297 600307723 /nfs/dbraw/zinc/30/77/23/600307723.db2.gz JHHLHGQAVISUFH-UHFFFAOYSA-N -1 0 327.340 2.687 20 30 EFEDRM CC(C)(C)CN(CCC#N)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736261483 600324494 /nfs/dbraw/zinc/32/44/94/600324494.db2.gz PGKNWUBWWNUBTL-UHFFFAOYSA-N -1 0 346.431 2.654 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739087517 600369725 /nfs/dbraw/zinc/36/97/25/600369725.db2.gz JNYSHNNCGGBUAO-KRWDZBQOSA-N -1 0 325.320 2.501 20 30 EFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000739088210 600389151 /nfs/dbraw/zinc/38/91/51/600389151.db2.gz PTTNUBIOGDODKT-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CSCC#N)cc1 ZINC000141265384 600391976 /nfs/dbraw/zinc/39/19/76/600391976.db2.gz SSSMUBSOWLVZON-AWEZNQCLSA-N -1 0 334.441 2.873 20 30 EFEDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N(CC#N)CC(=O)[O-])cc2C1 ZINC000736252863 600405349 /nfs/dbraw/zinc/40/53/49/600405349.db2.gz SCNAPNSIFQFEJF-GFCCVEGCSA-N -1 0 334.441 2.949 20 30 EFEDRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CC#N)CC(=O)[O-] ZINC000736712169 600406408 /nfs/dbraw/zinc/40/64/08/600406408.db2.gz JQQRWONUPMMUAL-MRVPVSSYSA-N -1 0 347.223 2.911 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736203874 600406689 /nfs/dbraw/zinc/40/66/89/600406689.db2.gz WFSFFIQQUXLPRK-QMMMGPOBSA-N -1 0 327.287 2.610 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2)cc1 ZINC000739092667 600407701 /nfs/dbraw/zinc/40/77/01/600407701.db2.gz SNEVOKYAERSSLR-UHFFFAOYSA-N -1 0 349.346 2.595 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000739139936 600428360 /nfs/dbraw/zinc/42/83/60/600428360.db2.gz MNVDYBBNGBCWIM-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1OC ZINC000736114319 600434630 /nfs/dbraw/zinc/43/46/30/600434630.db2.gz SKOXCPCZXFWPKI-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM N#Cc1ccccc1OCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000739147609 600442452 /nfs/dbraw/zinc/44/24/52/600442452.db2.gz XFTCJKQHCDGCPV-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1cccc(OCCOc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000739139450 600444075 /nfs/dbraw/zinc/44/40/75/600444075.db2.gz HBJVXVLLNRCOLN-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736700857 600447132 /nfs/dbraw/zinc/44/71/32/600447132.db2.gz NUDRPVJIIIHMIP-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736700859 600447213 /nfs/dbraw/zinc/44/72/13/600447213.db2.gz NUDRPVJIIIHMIP-ZBEGNZNMSA-N -1 0 343.310 2.834 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736700852 600447258 /nfs/dbraw/zinc/44/72/58/600447258.db2.gz NUDRPVJIIIHMIP-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739117149 600449307 /nfs/dbraw/zinc/44/93/07/600449307.db2.gz IVQLSQOCSZUVTE-KRWDZBQOSA-N -1 0 327.311 2.999 20 30 EFEDRM N#Cc1ccc(NC(=S)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000739120930 600467153 /nfs/dbraw/zinc/46/71/53/600467153.db2.gz GNPJOHIXAXBIML-UHFFFAOYSA-N -1 0 335.772 2.989 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736390145 600474496 /nfs/dbraw/zinc/47/44/96/600474496.db2.gz GPTXFGNRNPRCLD-MRXNPFEDSA-N -1 0 342.351 2.569 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000736088638 600480998 /nfs/dbraw/zinc/48/09/98/600480998.db2.gz YDGZYKWETHUDSY-UHFFFAOYSA-N -1 0 340.379 2.526 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000738649812 600517573 /nfs/dbraw/zinc/51/75/73/600517573.db2.gz QJBNKBPNXLMFED-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ncoc1CC ZINC000736114142 600521507 /nfs/dbraw/zinc/52/15/07/600521507.db2.gz HYTCOALXORJYHO-UHFFFAOYSA-N -1 0 331.324 2.892 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736307003 600525781 /nfs/dbraw/zinc/52/57/81/600525781.db2.gz ZSUVKTQGRIKNEY-UHFFFAOYSA-N -1 0 330.344 2.728 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736087768 600541789 /nfs/dbraw/zinc/54/17/89/600541789.db2.gz KCRUTLWTWOICJD-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736087016 600543476 /nfs/dbraw/zinc/54/34/76/600543476.db2.gz BFKSRTXDCALSBC-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000736095992 600551588 /nfs/dbraw/zinc/55/15/88/600551588.db2.gz DPGNWVZRQCLZHY-HNNXBMFYSA-N -1 0 341.323 2.735 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccsc3)CC2)cc1 ZINC000739105919 600563034 /nfs/dbraw/zinc/56/30/34/600563034.db2.gz OQEZRJVITMRMJH-KRWDZBQOSA-N -1 0 341.436 2.563 20 30 EFEDRM Cc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738777403 600563090 /nfs/dbraw/zinc/56/30/90/600563090.db2.gz GKJOIOSPAGBRHB-IBGZPJMESA-N -1 0 335.407 2.815 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cn1 ZINC000738430246 600569182 /nfs/dbraw/zinc/56/91/82/600569182.db2.gz HVBMMPSFPAEAJR-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM CC(C)c1nc2c(n1C)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736524102 600569667 /nfs/dbraw/zinc/56/96/67/600569667.db2.gz ISIIRJNXMQVKEH-KRWDZBQOSA-N -1 0 338.411 2.599 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736097340 600588508 /nfs/dbraw/zinc/58/85/08/600588508.db2.gz IEMDFPWRKMKADR-UHFFFAOYSA-N -1 0 325.430 2.681 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736699910 600590410 /nfs/dbraw/zinc/59/04/10/600590410.db2.gz GWTRRQPVCSNCDB-GUYCJALGSA-N -1 0 338.363 2.610 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2cccc(N3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739108201 600592028 /nfs/dbraw/zinc/59/20/28/600592028.db2.gz DRIFBLCEAQWRFL-GOSISDBHSA-N -1 0 335.363 2.923 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(N3CCOC3=O)cc2)C(=O)[O-])cc1 ZINC000739109710 600596625 /nfs/dbraw/zinc/59/66/25/600596625.db2.gz MQWZPRBMIIZJDY-INIZCTEOSA-N -1 0 337.335 2.753 20 30 EFEDRM C[C@@H](CS[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(=O)[O-] ZINC000736607731 600597353 /nfs/dbraw/zinc/59/73/53/600597353.db2.gz WQOHSRRIPDOTNQ-RYUDHWBXSA-N -1 0 338.404 2.915 20 30 EFEDRM C[C@H](CS[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(=O)[O-] ZINC000736607729 600597438 /nfs/dbraw/zinc/59/74/38/600597438.db2.gz WQOHSRRIPDOTNQ-NEPJUHHUSA-N -1 0 338.404 2.915 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])cc1 ZINC000739112256 600599740 /nfs/dbraw/zinc/59/97/40/600599740.db2.gz YMXQPPGJECUVIA-QZTJIDSGSA-N -1 0 338.363 2.964 20 30 EFEDRM CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737200335 600603205 /nfs/dbraw/zinc/60/32/05/600603205.db2.gz QTDNHYZBIJXNQP-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM C[C@H](Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736703412 600603463 /nfs/dbraw/zinc/60/34/63/600603463.db2.gz DWOPYGAODPEQBI-BLLLJJGKSA-N -1 0 325.320 2.695 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)c(N)c2)C(=O)[O-])cc1 ZINC000739113558 600605211 /nfs/dbraw/zinc/60/52/11/600605211.db2.gz AIWLZKKVOQOHJR-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM COCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737833859 600605622 /nfs/dbraw/zinc/60/56/22/600605622.db2.gz ARCMXFIPEWDVSN-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736614434 600606344 /nfs/dbraw/zinc/60/63/44/600606344.db2.gz CNJXGGGSGFDOBQ-RKDXNWHRSA-N -1 0 338.454 2.889 20 30 EFEDRM NC(=NOCc1ccc(F)cc1C(=O)[O-])c1nccc2ccccc21 ZINC000739149921 600613007 /nfs/dbraw/zinc/61/30/07/600613007.db2.gz ZHTYKZKCGNJZRE-UHFFFAOYSA-N -1 0 339.326 2.909 20 30 EFEDRM Cc1ccc(F)c(N)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738602728 600613818 /nfs/dbraw/zinc/61/38/18/600613818.db2.gz CLYLQZCETXLLPG-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738483383 600616024 /nfs/dbraw/zinc/61/60/24/600616024.db2.gz YPQUJRQNIMODMC-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736605331 600616230 /nfs/dbraw/zinc/61/62/30/600616230.db2.gz AXKNBUGNBAKDAY-ZDUSSCGKSA-N -1 0 338.363 2.588 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])cc1 ZINC000739113576 600617247 /nfs/dbraw/zinc/61/72/47/600617247.db2.gz AJPNEAKKOBYXIH-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cnc(C3CC3)s2)C(=O)[O-])cc1 ZINC000739118334 600617255 /nfs/dbraw/zinc/61/72/55/600617255.db2.gz QNBQEIWUTOFCRV-ZDUSSCGKSA-N -1 0 328.349 2.875 20 30 EFEDRM CCN(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737079075 600617673 /nfs/dbraw/zinc/61/76/73/600617673.db2.gz HUJMUBYMXIODKL-GOSISDBHSA-N -1 0 338.363 2.754 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736095742 600638088 /nfs/dbraw/zinc/63/80/88/600638088.db2.gz AQDMHFLYWMLDDE-INIZCTEOSA-N -1 0 346.408 2.517 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736108421 600645450 /nfs/dbraw/zinc/64/54/50/600645450.db2.gz DYLDASUPRWHRBG-UHFFFAOYSA-N -1 0 331.393 2.695 20 30 EFEDRM C#Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)nc1 ZINC000825636921 600659739 /nfs/dbraw/zinc/65/97/39/600659739.db2.gz WYWZVRBJEOJMPL-UHFFFAOYSA-N -1 0 345.738 2.650 20 30 EFEDRM N#CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000833068452 600666760 /nfs/dbraw/zinc/66/67/60/600666760.db2.gz YWAQDLBFYFNKQQ-QGZVFWFLSA-N -1 0 343.310 2.640 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739128666 600686226 /nfs/dbraw/zinc/68/62/26/600686226.db2.gz GFCQZPUYPRVKIT-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM COc1ccc(CNc2c(C#N)nnc3ccccc32)cc1C(=O)[O-] ZINC000738008157 600686874 /nfs/dbraw/zinc/68/68/74/600686874.db2.gz HBRNXODBRWYLDI-UHFFFAOYSA-N -1 0 334.335 2.820 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000825632140 600692542 /nfs/dbraw/zinc/69/25/42/600692542.db2.gz SRPXBTXUGBLOJW-QGZVFWFLSA-N -1 0 335.315 2.553 20 30 EFEDRM CCCc1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000829571800 600698105 /nfs/dbraw/zinc/69/81/05/600698105.db2.gz XEMNVCMSKJVRRE-CQSZACIVSA-N -1 0 330.365 2.950 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832958293 600707583 /nfs/dbraw/zinc/70/75/83/600707583.db2.gz SSWMBSHEFZUTOM-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000832902699 600708845 /nfs/dbraw/zinc/70/88/45/600708845.db2.gz JFNVJJJPPDENKN-LBPRGKRZSA-N -1 0 344.392 2.604 20 30 EFEDRM C[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000827652672 600762546 /nfs/dbraw/zinc/76/25/46/600762546.db2.gz HWQPFTWXRWIKGK-IUODEOHRSA-N -1 0 327.384 2.516 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC000832868804 600777591 /nfs/dbraw/zinc/77/75/91/600777591.db2.gz UHGFODKXPWRRNI-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000825702922 600794336 /nfs/dbraw/zinc/79/43/36/600794336.db2.gz ZVDIIESFKQTYDF-UHFFFAOYSA-N -1 0 334.349 2.717 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC000825636170 600803451 /nfs/dbraw/zinc/80/34/51/600803451.db2.gz DMWUXZDTQAIFSX-HNNXBMFYSA-N -1 0 328.755 2.662 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000736089327 600835400 /nfs/dbraw/zinc/83/54/00/600835400.db2.gz KAPHWFGFZCVRSY-UHFFFAOYSA-N -1 0 325.320 2.658 20 30 EFEDRM C=CC[C@H](C)NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737527361 600855438 /nfs/dbraw/zinc/85/54/38/600855438.db2.gz BJHYNUNGTFWFRJ-VIFPVBQESA-N -1 0 338.429 2.763 20 30 EFEDRM C#CCOc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000736076127 600861710 /nfs/dbraw/zinc/86/17/10/600861710.db2.gz LFJWBSUSCAXQKE-OAHLLOKOSA-N -1 0 335.359 2.917 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000736076888 600878310 /nfs/dbraw/zinc/87/83/10/600878310.db2.gz WEKYNLSGLAKMNP-UHFFFAOYSA-N -1 0 344.342 2.987 20 30 EFEDRM C=CCOCCCC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000825699170 600882646 /nfs/dbraw/zinc/88/26/46/600882646.db2.gz SBFYJMIZBXYUIC-UHFFFAOYSA-N -1 0 335.385 2.619 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000736089303 600884666 /nfs/dbraw/zinc/88/46/66/600884666.db2.gz JGQMAURUISFUCH-UHFFFAOYSA-N -1 0 344.342 2.987 20 30 EFEDRM N#Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739133633 600887790 /nfs/dbraw/zinc/88/77/90/600887790.db2.gz LQKNJVJWEYRPAK-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM COc1cc(C(=O)[O-])cc(N[C@H](C#N)Cc2ccccc2)c1OC ZINC000831909085 600893973 /nfs/dbraw/zinc/89/39/73/600893973.db2.gz QUJBMCNEZHCXLD-AWEZNQCLSA-N -1 0 326.352 2.949 20 30 EFEDRM CON=Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737840176 600911923 /nfs/dbraw/zinc/91/19/23/600911923.db2.gz RFPPFLPJCZGMAO-HNNXBMFYSA-N -1 0 338.363 2.886 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC000736401990 600922973 /nfs/dbraw/zinc/92/29/73/600922973.db2.gz MXAZBBNYQLTTEU-DOTOQJQBSA-N -1 0 346.427 2.825 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000738958117 600927829 /nfs/dbraw/zinc/92/78/29/600927829.db2.gz QJKLLKQZWWLNJZ-CYBMUJFWSA-N -1 0 343.383 2.727 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825967485 600943617 /nfs/dbraw/zinc/94/36/17/600943617.db2.gz XJVSRNXTIIYINW-JTDSTZFVSA-N -1 0 328.412 2.909 20 30 EFEDRM Cc1cc(CN=Nc2cc(Cl)nc(C)n2)cc(C)c1OCC(=O)[O-] ZINC000738858520 600947194 /nfs/dbraw/zinc/94/71/94/600947194.db2.gz FKRLBQYHAMHSAM-UHFFFAOYSA-N -1 0 348.790 2.965 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833070546 600951583 /nfs/dbraw/zinc/95/15/83/600951583.db2.gz LWZONZKUISBZPB-UONOGXRCSA-N -1 0 338.367 2.573 20 30 EFEDRM O=C([O-])c1occc1C=NNc1nc(-c2ccccn2)nc2c1CCC2 ZINC000740282176 600981756 /nfs/dbraw/zinc/98/17/56/600981756.db2.gz TTYYDIUSTAWVBS-UHFFFAOYSA-N -1 0 349.350 2.765 20 30 EFEDRM N#Cc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833075573 600994964 /nfs/dbraw/zinc/99/49/64/600994964.db2.gz TUSBLNIJJBJYDZ-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN[C@@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000833070656 600998010 /nfs/dbraw/zinc/99/80/10/600998010.db2.gz PWGJOJJPSNDQPI-MRXNPFEDSA-N -1 0 334.335 2.524 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000739077846 601020155 /nfs/dbraw/zinc/02/01/55/601020155.db2.gz UTTRBVGSJVSZTP-NEPJUHHUSA-N -1 0 327.167 2.534 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000739087604 601020335 /nfs/dbraw/zinc/02/03/35/601020335.db2.gz OTWXCHCUTMLEMN-UHFFFAOYSA-N -1 0 348.280 2.821 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827879461 601072685 /nfs/dbraw/zinc/07/26/85/601072685.db2.gz QVENWMHKMDNISX-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1ccc(CC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000833071625 601080627 /nfs/dbraw/zinc/08/06/27/601080627.db2.gz HVUKDRJYWHVAAC-ROUUACIJSA-N -1 0 340.423 2.983 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000825631794 601098163 /nfs/dbraw/zinc/09/81/63/601098163.db2.gz MQTIVCKNLZHHMJ-GFCCVEGCSA-N -1 0 336.363 2.706 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000825631966 601098282 /nfs/dbraw/zinc/09/82/82/601098282.db2.gz ODQTUEITVBALLG-ZDUSSCGKSA-N -1 0 346.358 2.556 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000261703611 601099158 /nfs/dbraw/zinc/09/91/58/601099158.db2.gz KIFBSKYODOGTON-SECBINFHSA-N -1 0 327.262 2.515 20 30 EFEDRM N#CCSCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833067880 601101509 /nfs/dbraw/zinc/10/15/09/601101509.db2.gz JANSQQHMXPMFII-NSHDSACASA-N -1 0 334.180 2.919 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000825682308 601116743 /nfs/dbraw/zinc/11/67/43/601116743.db2.gz WVUFELKMNXGYDM-ZDUSSCGKSA-N -1 0 346.383 2.547 20 30 EFEDRM CCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829692542 601129496 /nfs/dbraw/zinc/12/94/96/601129496.db2.gz KJXOWWLZPJYJHE-UHFFFAOYSA-N -1 0 327.287 2.754 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827880030 601145493 /nfs/dbraw/zinc/14/54/93/601145493.db2.gz YVESXRSMCZARRC-LBPRGKRZSA-N -1 0 342.326 2.582 20 30 EFEDRM COCCON=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000831767067 601149939 /nfs/dbraw/zinc/14/99/39/601149939.db2.gz GPRQLEXLFQDZSZ-UHFFFAOYSA-N -1 0 329.352 2.961 20 30 EFEDRM N#Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)s1 ZINC000749011277 601201458 /nfs/dbraw/zinc/20/14/58/601201458.db2.gz SBRQJMXXMQMBCN-POHAHGRESA-N -1 0 338.435 2.686 20 30 EFEDRM CCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1CC1CC1 ZINC000829069846 601202450 /nfs/dbraw/zinc/20/24/50/601202450.db2.gz TXOMHLKBGRSVTP-AWEZNQCLSA-N -1 0 331.397 2.845 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)OCC(F)(F)C(F)F)c1C ZINC000832866118 601204211 /nfs/dbraw/zinc/20/42/11/601204211.db2.gz CEHFXIPMIVIBII-UHFFFAOYSA-N -1 0 344.282 2.607 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825609103 601228599 /nfs/dbraw/zinc/22/85/99/601228599.db2.gz URRVECDQJXJBJG-JLHYYAGUSA-N -1 0 347.436 2.741 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832859793 601233373 /nfs/dbraw/zinc/23/33/73/601233373.db2.gz XEBQSFNNCFAFOA-WEVVVXLNSA-N -1 0 343.360 2.732 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000833071064 601240979 /nfs/dbraw/zinc/24/09/79/601240979.db2.gz GPWWNEFSSYNCQS-FPYGCLRLSA-N -1 0 347.323 2.563 20 30 EFEDRM C#CCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000825614511 601242627 /nfs/dbraw/zinc/24/26/27/601242627.db2.gz PKCTXQJOPMJJSK-UHFFFAOYSA-N -1 0 344.289 2.813 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc(F)c(C(=O)[O-])c3)C2=O)cc1 ZINC000833073589 601263732 /nfs/dbraw/zinc/26/37/32/601263732.db2.gz RHWYUTULNAKYQH-MRXNPFEDSA-N -1 0 339.326 2.613 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)cn2C)cc1 ZINC000832777682 601264515 /nfs/dbraw/zinc/26/45/15/601264515.db2.gz XJIJEGFVWLAILP-CQSZACIVSA-N -1 0 343.408 2.564 20 30 EFEDRM Cc1c(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1C(=O)[O-] ZINC000832856818 601264527 /nfs/dbraw/zinc/26/45/27/601264527.db2.gz VOWDAGXCWBNTQL-QGZVFWFLSA-N -1 0 335.363 2.782 20 30 EFEDRM N#Cc1cc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)ccc1F ZINC000833069808 601265632 /nfs/dbraw/zinc/26/56/32/601265632.db2.gz RSNIGMXXYUYKEB-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000833066126 601268956 /nfs/dbraw/zinc/26/89/56/601268956.db2.gz OVCMOQNBMRNUDM-UHFFFAOYSA-N -1 0 343.770 2.816 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000833066121 601268977 /nfs/dbraw/zinc/26/89/77/601268977.db2.gz ORGWZZDEXWGZSL-MPLXBHQASA-N -1 0 344.333 2.572 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000832875548 601286524 /nfs/dbraw/zinc/28/65/24/601286524.db2.gz VGDAZPBSQLHMHQ-UHFFFAOYSA-N -1 0 339.395 2.761 20 30 EFEDRM C[C@@H]1Oc2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2NC1=O ZINC000828520741 601298288 /nfs/dbraw/zinc/29/82/88/601298288.db2.gz AESLBXRDCTWEIW-MGPLVRAMSA-N -1 0 337.335 2.515 20 30 EFEDRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000825890163 601299312 /nfs/dbraw/zinc/29/93/12/601299312.db2.gz BJXMBVNWRYOXDE-INIZCTEOSA-N -1 0 327.315 2.894 20 30 EFEDRM CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1CO ZINC000830084807 601301598 /nfs/dbraw/zinc/30/15/98/601301598.db2.gz MTLZJPPDURBANR-KRWDZBQOSA-N -1 0 326.352 2.687 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000833074213 601302237 /nfs/dbraw/zinc/30/22/37/601302237.db2.gz RVRKIHMYJLDLBZ-ZIAGYGMSSA-N -1 0 342.317 2.727 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc(N3CCOCC3)c2)C(=O)[O-])c1 ZINC000833075349 601302485 /nfs/dbraw/zinc/30/24/85/601302485.db2.gz KLUKHMVTOQNIBP-GOSISDBHSA-N -1 0 337.379 2.633 20 30 EFEDRM CN1c2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2CCC1=O ZINC000830901672 601304011 /nfs/dbraw/zinc/30/40/11/601304011.db2.gz JYIICDYGDRZENN-SFHVURJKSA-N -1 0 335.363 2.705 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])c1 ZINC000833074883 601306258 /nfs/dbraw/zinc/30/62/58/601306258.db2.gz GARXAKBCAYXRAP-MSOLQXFVSA-N -1 0 338.363 2.964 20 30 EFEDRM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832971604 601310894 /nfs/dbraw/zinc/31/08/94/601310894.db2.gz QLXJGZLKBNSGME-LJQANCHMSA-N -1 0 335.407 2.815 20 30 EFEDRM Cc1csc([C@H]2CN([C@H](C(=O)[O-])c3cccc(C#N)c3)CCO2)n1 ZINC000832988966 601313986 /nfs/dbraw/zinc/31/39/86/601313986.db2.gz CEIAOIVYEVFWHI-CABCVRRESA-N -1 0 343.408 2.522 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826723177 601317979 /nfs/dbraw/zinc/31/79/79/601317979.db2.gz QBGQZLAMSUYTHS-INIZCTEOSA-N -1 0 341.367 2.637 20 30 EFEDRM C=CCc1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc(OC)c1OC ZINC000825702651 601318658 /nfs/dbraw/zinc/31/86/58/601318658.db2.gz RHIITVOQICSKAS-UHFFFAOYSA-N -1 0 344.367 2.721 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1 ZINC000829852452 601331359 /nfs/dbraw/zinc/33/13/59/601331359.db2.gz DOWGFRQPAZGJGM-CLFYSBASSA-N -1 0 343.335 2.551 20 30 EFEDRM COCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1OC ZINC000831773793 601331562 /nfs/dbraw/zinc/33/15/62/601331562.db2.gz JDGJVLMTTNRRDG-ALCCZGGFSA-N -1 0 345.351 2.643 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)[nH]1 ZINC000833095599 601331852 /nfs/dbraw/zinc/33/18/52/601331852.db2.gz UZCIFBSKYFABEB-XBXARRHUSA-N -1 0 326.308 2.566 20 30 EFEDRM CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830071185 601343367 /nfs/dbraw/zinc/34/33/67/601343367.db2.gz QCNWMTBYLDGWJY-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM CCc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830282409 601344957 /nfs/dbraw/zinc/34/49/57/601344957.db2.gz UJDUANLQUCZILI-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3ccccc3c(=O)[nH]2)C(=O)[O-])c1 ZINC000833077527 601345503 /nfs/dbraw/zinc/34/55/03/601345503.db2.gz VKNASSPRGQMJHP-MRXNPFEDSA-N -1 0 348.314 2.795 20 30 EFEDRM COc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832378386 601345743 /nfs/dbraw/zinc/34/57/43/601345743.db2.gz LXDUMDFFGHYLBC-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1cc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831982716 601347410 /nfs/dbraw/zinc/34/74/10/601347410.db2.gz CMACCWCBQMMJGH-SFHVURJKSA-N -1 0 339.347 2.787 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827894939 601348129 /nfs/dbraw/zinc/34/81/29/601348129.db2.gz CSUADAOGKHPIBT-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)C(=O)[O-])c1 ZINC000833077287 601349643 /nfs/dbraw/zinc/34/96/43/601349643.db2.gz OKVJMGKKPLCBJW-OAHLLOKOSA-N -1 0 337.291 2.524 20 30 EFEDRM Cc1ccc(F)c(N)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832935948 601350391 /nfs/dbraw/zinc/35/03/91/601350391.db2.gz RLBJMBPBXAEKGI-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM CCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000830309983 601351027 /nfs/dbraw/zinc/35/10/27/601351027.db2.gz UKVCXHOCCCYYII-ZDUSSCGKSA-N -1 0 330.365 2.868 20 30 EFEDRM Cc1cc(F)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832887714 601351304 /nfs/dbraw/zinc/35/13/04/601351304.db2.gz ZTZJXHVRAIPAKT-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc3c(s2)CCOC3)C(=O)[O-])c1 ZINC000833077738 601352379 /nfs/dbraw/zinc/35/23/79/601352379.db2.gz ZSGVJSOJZGRCAE-HNNXBMFYSA-N -1 0 343.360 2.675 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)c(F)c(F)c2)C(=O)[O-])c1 ZINC000833077363 601352575 /nfs/dbraw/zinc/35/25/75/601352575.db2.gz QJXKOFDTRSTWDP-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM COc1cc(C)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831972795 601353763 /nfs/dbraw/zinc/35/37/63/601353763.db2.gz RBHHEPHVWYRPDK-CYBMUJFWSA-N -1 0 331.349 2.920 20 30 EFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)OC/C=C(/C)C(=O)[O-] ZINC000825702334 601409761 /nfs/dbraw/zinc/40/97/61/601409761.db2.gz KKPQBDPBAKTMOA-LCYFTJDESA-N -1 0 342.351 2.625 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C(=O)[O-])oc2CC)c1 ZINC000825636264 601413044 /nfs/dbraw/zinc/41/30/44/601413044.db2.gz GFJRFPUHUUMITH-UHFFFAOYSA-N -1 0 340.379 2.592 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825702870 601415671 /nfs/dbraw/zinc/41/56/71/601415671.db2.gz YRUPSMNENXJTIT-UHFFFAOYSA-N -1 0 332.400 2.696 20 30 EFEDRM C/C(=C\COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000825780315 601425914 /nfs/dbraw/zinc/42/59/14/601425914.db2.gz CLAPQFGNBJQSMN-XYOKQWHBSA-N -1 0 338.319 2.933 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000833064158 601427759 /nfs/dbraw/zinc/42/77/59/601427759.db2.gz FULXVYICCQLIQE-RDJZCZTQSA-N -1 0 335.363 2.692 20 30 EFEDRM N#Cc1c[nH]c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000833067391 601437308 /nfs/dbraw/zinc/43/73/08/601437308.db2.gz CDPCAFSQSHBCRK-UHFFFAOYSA-N -1 0 325.349 2.729 20 30 EFEDRM CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000829878112 601445133 /nfs/dbraw/zinc/44/51/33/601445133.db2.gz IJFVVSFGTJAPBR-VQHVLOKHSA-N -1 0 344.319 2.816 20 30 EFEDRM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000829878111 601445285 /nfs/dbraw/zinc/44/52/85/601445285.db2.gz IJFVVSFGTJAPBR-CLFYSBASSA-N -1 0 344.319 2.816 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)CNc1ccc(C#N)cc1 ZINC000830388792 601463386 /nfs/dbraw/zinc/46/33/86/601463386.db2.gz ITSJBIVIWFRMRX-UHFFFAOYSA-N -1 0 328.324 2.567 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833074925 601475258 /nfs/dbraw/zinc/47/52/58/601475258.db2.gz GLAZQIUWXISJBC-VJIACCKLSA-N -1 0 332.359 2.782 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000825632220 601486337 /nfs/dbraw/zinc/48/63/37/601486337.db2.gz VMTBIIOCWMMLLZ-UHFFFAOYSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000825625464 601486963 /nfs/dbraw/zinc/48/69/63/601486963.db2.gz DHPQIPWPIVBZEN-UHFFFAOYSA-N -1 0 348.374 2.946 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000833069029 601607623 /nfs/dbraw/zinc/60/76/23/601607623.db2.gz RRQSFGZPZYNURR-CQSZACIVSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1cc(F)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(F)c1 ZINC000833069028 601607745 /nfs/dbraw/zinc/60/77/45/601607745.db2.gz RRQSFGZPZYNURR-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000833072183 601608351 /nfs/dbraw/zinc/60/83/51/601608351.db2.gz LHIXICPODFOYCU-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC000825636779 601622530 /nfs/dbraw/zinc/62/25/30/601622530.db2.gz STFOJNMILDJRJW-HNNXBMFYSA-N -1 0 328.755 2.662 20 30 EFEDRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000833199618 601624706 /nfs/dbraw/zinc/62/47/06/601624706.db2.gz VBGSOYCSPIYTPQ-GOSISDBHSA-N -1 0 349.390 2.856 20 30 EFEDRM Cc1cc(C=NNc2ccncc2Cl)cc(C)c1OCC(=O)[O-] ZINC000832881627 601626863 /nfs/dbraw/zinc/62/68/63/601626863.db2.gz SZQIRGCNBAHQEE-UHFFFAOYSA-N -1 0 333.775 2.683 20 30 EFEDRM COC(=O)c1ccc(C=NOCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000831378692 601628548 /nfs/dbraw/zinc/62/85/48/601628548.db2.gz DEPBZMINLOEBBH-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CSc1nc(N)c(C#N)cc1C#N ZINC000833031928 601632312 /nfs/dbraw/zinc/63/23/12/601632312.db2.gz WQUJTBRSBBWOON-UHFFFAOYSA-N -1 0 330.394 2.768 20 30 EFEDRM NC(=NOCc1ccc(C(=O)[O-])c(F)c1)c1nccc2ccccc21 ZINC000833079382 601636940 /nfs/dbraw/zinc/63/69/40/601636940.db2.gz XIIBJLAWOKIDEB-UHFFFAOYSA-N -1 0 339.326 2.909 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(F)c1 ZINC000833068631 601676330 /nfs/dbraw/zinc/67/63/30/601676330.db2.gz FOZKOEQXVNELNK-UHFFFAOYSA-N -1 0 328.274 2.691 20 30 EFEDRM CC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000818308204 601676493 /nfs/dbraw/zinc/67/64/93/601676493.db2.gz ZZPLXZDFYVILAN-MRXNPFEDSA-N -1 0 338.363 2.730 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000826568241 601686478 /nfs/dbraw/zinc/68/64/78/601686478.db2.gz SHQAAMJXJQAJHU-GJZGRUSLSA-N -1 0 329.400 2.579 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1cccc(C#N)c1 ZINC000833032210 601723831 /nfs/dbraw/zinc/72/38/31/601723831.db2.gz WBPFMCWCTPWTBE-UHFFFAOYSA-N -1 0 331.349 2.749 20 30 EFEDRM CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC000828957920 601754419 /nfs/dbraw/zinc/75/44/19/601754419.db2.gz INAWLIJMAYMSGM-MRXNPFEDSA-N -1 0 325.368 2.559 20 30 EFEDRM CC(C)(CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC000826591119 601756186 /nfs/dbraw/zinc/75/61/86/601756186.db2.gz WSUWXGMSUPNGPV-UHFFFAOYSA-N -1 0 337.379 2.714 20 30 EFEDRM COc1cc(C#N)ccc1OCCn1nc(C)c([C@@H](C)C(=O)[O-])c1C ZINC000831861093 601778523 /nfs/dbraw/zinc/77/85/23/601778523.db2.gz NRNZNTCFVGFYDV-LLVKDONJSA-N -1 0 343.383 2.647 20 30 EFEDRM COC(=O)c1cc(/C=C2/CC/C(=C\c3c[nH]c(C(=O)[O-])c3)C2=O)c[nH]1 ZINC000831248676 601791254 /nfs/dbraw/zinc/79/12/54/601791254.db2.gz ORAOVRURYNCNRA-OMKNBNTGSA-N -1 0 340.335 2.658 20 30 EFEDRM COc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc(OC)c1OC ZINC000831861458 601791291 /nfs/dbraw/zinc/79/12/91/601791291.db2.gz XMANBZSIMVHZRX-SNAWJCMRSA-N -1 0 331.324 2.635 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1 ZINC000829852562 601792738 /nfs/dbraw/zinc/79/27/38/601792738.db2.gz FYMJJVUOULEOCD-SREVYHEPSA-N -1 0 343.335 2.551 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c[nH]1 ZINC000833092670 601793325 /nfs/dbraw/zinc/79/33/25/601793325.db2.gz JIJVPNUVZDABJN-SNAWJCMRSA-N -1 0 326.308 2.566 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CC[C@@H](CC)O1 ZINC000825702711 601801031 /nfs/dbraw/zinc/80/10/31/601801031.db2.gz WLVDJSRIBXBMQA-ZIAGYGMSSA-N -1 0 334.368 2.985 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000728508949 601828408 /nfs/dbraw/zinc/82/84/08/601828408.db2.gz HOINFWJVIJHFGV-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(C(C)C)cc1C(=O)[O-] ZINC000829642359 601829174 /nfs/dbraw/zinc/82/91/74/601829174.db2.gz KKVWRCZJINDUSG-CYBMUJFWSA-N -1 0 331.416 2.928 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-n3cccc3)nc2)C(=O)[O-])cc1 ZINC000833073183 601846807 /nfs/dbraw/zinc/84/68/07/601846807.db2.gz WXKJBRFKFDXCPA-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000825702133 601869400 /nfs/dbraw/zinc/86/94/00/601869400.db2.gz FLSXKRZFDPBZMU-UHFFFAOYSA-N -1 0 340.379 2.949 20 30 EFEDRM C[C@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC000828128641 601896218 /nfs/dbraw/zinc/89/62/18/601896218.db2.gz UABBKMWNXNTXPT-UYAOXDASSA-N -1 0 336.391 2.932 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833068112 601909409 /nfs/dbraw/zinc/90/94/09/601909409.db2.gz PTBOARLJZNIGEM-IRXDYDNUSA-N -1 0 344.411 2.671 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000833069151 601912207 /nfs/dbraw/zinc/91/22/07/601912207.db2.gz VVHHIWLTUZMVDU-FZMZJTMJSA-N -1 0 336.338 2.990 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000833069149 601912307 /nfs/dbraw/zinc/91/23/07/601912307.db2.gz VVHHIWLTUZMVDU-BXUZGUMPSA-N -1 0 336.338 2.990 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2c(F)cc(C(=O)NC3CC3)cc2F)o1 ZINC000833129338 601956570 /nfs/dbraw/zinc/95/65/70/601956570.db2.gz HPZOGYLQHBPKMF-UHFFFAOYSA-N -1 0 349.293 2.594 20 30 EFEDRM N#Cc1cccc(-c2nnc(CNc3cccc(CC(=O)[O-])c3)o2)c1 ZINC000819106243 601967852 /nfs/dbraw/zinc/96/78/52/601967852.db2.gz IGRRGNPTYIWBRC-UHFFFAOYSA-N -1 0 334.335 2.847 20 30 EFEDRM CC(C)Oc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000827038170 601982388 /nfs/dbraw/zinc/98/23/88/601982388.db2.gz JALCMFRXDLCXDD-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825676086 602005975 /nfs/dbraw/zinc/00/59/75/602005975.db2.gz SSDODUYFKBQPLZ-XPTSAGLGSA-N -1 0 345.317 2.669 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000794855422 602065737 /nfs/dbraw/zinc/06/57/37/602065737.db2.gz SSPXGPMXZPGCIP-LLVKDONJSA-N -1 0 329.312 2.893 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNC(=S)NC2CCCCC2)cc1)C(=O)[O-] ZINC000794864916 602067737 /nfs/dbraw/zinc/06/77/37/602067737.db2.gz FNESOKMVDYPSCL-GFCCVEGCSA-N -1 0 349.456 2.669 20 30 EFEDRM C[C@@H](Oc1ccc(C=NN2C(=S)N=NC2C(C)(C)C)cc1)C(=O)[O-] ZINC000794870202 602068173 /nfs/dbraw/zinc/06/81/73/602068173.db2.gz IDGMOHWEXPGOKG-SNVBAGLBSA-N -1 0 348.428 2.598 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794865614 602068269 /nfs/dbraw/zinc/06/82/69/602068269.db2.gz RNFJZHQHIHJOGH-LLVKDONJSA-N -1 0 348.428 2.644 20 30 EFEDRM C[C@H](Oc1ccc(C=NNCCc2ccccc2F)cc1)C(=O)[O-] ZINC000794917538 602180097 /nfs/dbraw/zinc/18/00/97/602180097.db2.gz DLFBAWOQAJFOTM-ZDUSSCGKSA-N -1 0 330.359 2.844 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000828764679 602182720 /nfs/dbraw/zinc/18/27/20/602182720.db2.gz LILONMBCNQGFMF-ZOWXZIJZSA-N -1 0 330.384 2.958 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nn(CN(CC)CC(=O)[O-])c1=S ZINC000825705668 602192086 /nfs/dbraw/zinc/19/20/86/602192086.db2.gz QKSUOAMSXFJJMQ-UHFFFAOYSA-N -1 0 346.456 2.940 20 30 EFEDRM C#CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000825605483 602192825 /nfs/dbraw/zinc/19/28/25/602192825.db2.gz GONDYIFILXKXCM-UHFFFAOYSA-N -1 0 329.400 2.910 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2ccc(F)cc2OCC#N)c(C)c1C(=O)[O-] ZINC000830196496 602198068 /nfs/dbraw/zinc/19/80/68/602198068.db2.gz LFLOSHAEJJYQBC-UHFFFAOYSA-N -1 0 345.330 2.878 20 30 EFEDRM N#Cc1cc(COC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000833069230 602267807 /nfs/dbraw/zinc/26/78/07/602267807.db2.gz YELUEGNESSEROS-UHFFFAOYSA-N -1 0 329.283 2.518 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2cc(F)ccc2C#N)c(C)c1C(=O)[O-] ZINC000830202803 602328760 /nfs/dbraw/zinc/32/87/60/602328760.db2.gz RCFGGZDVTDFXJM-UHFFFAOYSA-N -1 0 330.315 2.952 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736545027 602690309 /nfs/dbraw/zinc/69/03/09/602690309.db2.gz NLZSUTCUBBSEGD-GFCCVEGCSA-N -1 0 348.428 2.908 20 30 EFEDRM O=C([O-])N1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000739920533 602731958 /nfs/dbraw/zinc/73/19/58/602731958.db2.gz MMHULXYMWMTAFE-UHFFFAOYSA-N -1 0 335.751 2.932 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)CCNC(=O)[O-])c2)s1 ZINC000738431090 603006935 /nfs/dbraw/zinc/00/69/35/603006935.db2.gz SPZWETCNIMMCCR-UHFFFAOYSA-N -1 0 329.381 2.561 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000738434353 603132663 /nfs/dbraw/zinc/13/26/63/603132663.db2.gz BITSGFJAGUKPKU-UHFFFAOYSA-N -1 0 336.300 2.555 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736486389 603285127 /nfs/dbraw/zinc/28/51/27/603285127.db2.gz SGTPXCSPXXYXPO-CYBMUJFWSA-N -1 0 346.387 2.609 20 30 EFEDRM CON=Cc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737839312 603451956 /nfs/dbraw/zinc/45/19/56/603451956.db2.gz JPXAGUIICLNQJP-UHFFFAOYSA-N -1 0 341.367 2.729 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000826044412 604368906 /nfs/dbraw/zinc/36/89/06/604368906.db2.gz GKUKVZJFXJTZEI-QMTHXVAHSA-N -1 0 343.770 2.798 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000825692126 604432884 /nfs/dbraw/zinc/43/28/84/604432884.db2.gz JFHCEMGOIIPSEQ-ZDUSSCGKSA-N -1 0 343.364 2.595 20 30 EFEDRM O=C([O-])N1CC(NC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000833159341 604448496 /nfs/dbraw/zinc/44/84/96/604448496.db2.gz ABROUURCNWCTTP-UHFFFAOYSA-N -1 0 341.392 2.632 20 30 EFEDRM C#C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CC1 ZINC000833360089 604476197 /nfs/dbraw/zinc/47/61/97/604476197.db2.gz BYDHMVHGPDMMEH-CYBMUJFWSA-N -1 0 349.364 2.730 20 30 EFEDRM C=CCOCCCC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833375490 604486222 /nfs/dbraw/zinc/48/62/22/604486222.db2.gz AOZAHMCCSGTYHR-UHFFFAOYSA-N -1 0 343.383 2.800 20 30 EFEDRM C[C@@H](Oc1ccc(CN(CCC#N)Cc2cccnc2)cc1)C(=O)[O-] ZINC000833539207 604518063 /nfs/dbraw/zinc/51/80/63/604518063.db2.gz XPVZKYZDSQXRNL-OAHLLOKOSA-N -1 0 339.395 2.849 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000833469690 604518413 /nfs/dbraw/zinc/51/84/13/604518413.db2.gz YCLYIPOARFBPCP-LSDHHAIUSA-N -1 0 331.416 2.957 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCC ZINC000833366757 604537567 /nfs/dbraw/zinc/53/75/67/604537567.db2.gz CRMGERFTSPWAFX-IAGOWNOFSA-N -1 0 344.411 2.651 20 30 EFEDRM CNC(=O)c1ccc(Cl)c(NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833699799 604538763 /nfs/dbraw/zinc/53/87/63/604538763.db2.gz ABTKQYHEXMGINN-UHFFFAOYSA-N -1 0 343.770 2.882 20 30 EFEDRM CC(C)C[C@@]1(C)CC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833481836 604548869 /nfs/dbraw/zinc/54/88/69/604548869.db2.gz WQJHJCHYGGQRCS-SFHVURJKSA-N -1 0 328.368 2.568 20 30 EFEDRM Cc1nc2ccccc2n1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833757422 604581668 /nfs/dbraw/zinc/58/16/68/604581668.db2.gz ZGMKGCWRDPQKMC-UHFFFAOYSA-N -1 0 349.346 2.658 20 30 EFEDRM C[C@H]1CCC[C@H](OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833611748 604583105 /nfs/dbraw/zinc/58/31/05/604583105.db2.gz ZLHXKUCPLMMGMF-JSGCOSHPSA-N -1 0 331.368 2.895 20 30 EFEDRM C[C@@H]1CCC[C@H](OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833611749 604583109 /nfs/dbraw/zinc/58/31/09/604583109.db2.gz ZLHXKUCPLMMGMF-OCCSQVGLSA-N -1 0 331.368 2.895 20 30 EFEDRM CC(C)Nc1ncccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833504350 604584412 /nfs/dbraw/zinc/58/44/12/604584412.db2.gz HDNFHTRZCJWQAQ-UHFFFAOYSA-N -1 0 339.351 2.829 20 30 EFEDRM COc1cc(OC)cc([C@H](OC(=O)c2ccc(C#N)s2)C(=O)[O-])c1 ZINC000832080387 604595937 /nfs/dbraw/zinc/59/59/37/604595937.db2.gz IZDBCCJNJQGCPI-AWEZNQCLSA-N -1 0 347.348 2.620 20 30 EFEDRM C#CCSCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833368368 604601455 /nfs/dbraw/zinc/60/14/55/604601455.db2.gz NRMCOHADYUKQRE-UHFFFAOYSA-N -1 0 338.454 2.741 20 30 EFEDRM CCc1nc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC000833673997 604606018 /nfs/dbraw/zinc/60/60/18/604606018.db2.gz NJBWZJFJCFTPJQ-OAHLLOKOSA-N -1 0 340.383 2.929 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccnn2C2CCCC2)C(=O)[O-])cc1 ZINC000833071851 604606132 /nfs/dbraw/zinc/60/61/32/604606132.db2.gz JEFIQLHEVONXSM-MRXNPFEDSA-N -1 0 339.351 2.853 20 30 EFEDRM CCCCn1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829447779 604608815 /nfs/dbraw/zinc/60/88/15/604608815.db2.gz SAMFSJAOTUNGLT-MRXNPFEDSA-N -1 0 341.367 2.846 20 30 EFEDRM Cc1nc(C2(NCc3cccc(C(=O)[O-])c3C#N)CCCC2)no1 ZINC000833755465 604611891 /nfs/dbraw/zinc/61/18/91/604611891.db2.gz OHLNHNAJMCUGEM-UHFFFAOYSA-N -1 0 326.356 2.507 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)c2ccccc2NC1=O ZINC000833629672 604615445 /nfs/dbraw/zinc/61/54/45/604615445.db2.gz KYGQDRBPWQASJP-GFCCVEGCSA-N -1 0 335.363 2.851 20 30 EFEDRM O=C([O-])N1C/C(=C\c2cncs2)C(=O)/C(=C/c2cncs2)C1 ZINC000833356968 604628854 /nfs/dbraw/zinc/62/88/54/604628854.db2.gz XXXVDJIMKKVHMO-UVEKSMONSA-N -1 0 333.394 2.629 20 30 EFEDRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000833213585 604631344 /nfs/dbraw/zinc/63/13/44/604631344.db2.gz KTMNCPHNTWIXDU-GOSISDBHSA-N -1 0 349.390 2.952 20 30 EFEDRM CC(=NNS(=O)(=O)c1ccccc1)[C@H](C)CCCCC(=O)[O-] ZINC000814693766 604633026 /nfs/dbraw/zinc/63/30/26/604633026.db2.gz GUAIQKXTCVRNFY-GFCCVEGCSA-N -1 0 326.418 2.622 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ncc(C#N)cc1Cl ZINC000830001232 604635427 /nfs/dbraw/zinc/63/54/27/604635427.db2.gz ULQDJXOMTTUJNS-NSHDSACASA-N -1 0 325.796 2.560 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000794822997 604637267 /nfs/dbraw/zinc/63/72/67/604637267.db2.gz KHKUDCBLBNXQDU-KRWDZBQOSA-N -1 0 343.404 2.736 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833360157 604638016 /nfs/dbraw/zinc/63/80/16/604638016.db2.gz FFDLNPPMOMPEOF-QGZVFWFLSA-N -1 0 343.404 2.569 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccccc1 ZINC000833362649 604638078 /nfs/dbraw/zinc/63/80/78/604638078.db2.gz BWNKMACUPBKIMS-MRXNPFEDSA-N -1 0 343.404 2.736 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1C#N ZINC000827054174 604639317 /nfs/dbraw/zinc/63/93/17/604639317.db2.gz CDGGJHNCOTUXIP-CQSZACIVSA-N -1 0 346.387 2.609 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000827054627 604639364 /nfs/dbraw/zinc/63/93/64/604639364.db2.gz MFSVUCASBTUOAY-FZMZJTMJSA-N -1 0 331.372 2.530 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000833373080 604699165 /nfs/dbraw/zinc/69/91/65/604699165.db2.gz FBHBHZLIGAKTSE-OAHLLOKOSA-N -1 0 346.408 2.766 20 30 EFEDRM CN(C(=O)c1cc2ccccc2n1CC#N)C1(C(=O)[O-])CCCC1 ZINC000830523153 604715768 /nfs/dbraw/zinc/71/57/68/604715768.db2.gz GHPXKVAIJCOTNH-UHFFFAOYSA-N -1 0 325.368 2.634 20 30 EFEDRM COC1CCC(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833718807 604717006 /nfs/dbraw/zinc/71/70/06/604717006.db2.gz GFWNFFSJOBJLGR-MWHAMWOXSA-N -1 0 331.368 2.822 20 30 EFEDRM CN(C(=O)CSCc1ccc(C#N)cc1)C1(C(=O)[O-])CCCC1 ZINC000830490085 604720632 /nfs/dbraw/zinc/72/06/32/604720632.db2.gz IRDCOPVDWFGIQQ-UHFFFAOYSA-N -1 0 332.425 2.647 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000825702038 604729473 /nfs/dbraw/zinc/72/94/73/604729473.db2.gz AAPWLSMYRCUYOI-UHFFFAOYSA-N -1 0 332.381 2.977 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1C#N ZINC000827058775 604748300 /nfs/dbraw/zinc/74/83/00/604748300.db2.gz VXXCOUROPQIVDW-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000825676115 604780259 /nfs/dbraw/zinc/78/02/59/604780259.db2.gz VIYDTVZCTCYEHG-CQSZACIVSA-N -1 0 346.427 2.769 20 30 EFEDRM O=C([O-])[C@@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833188791 604796907 /nfs/dbraw/zinc/79/69/07/604796907.db2.gz ISMOEXVZIVCRHN-AWEZNQCLSA-N -1 0 327.302 2.876 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409306 604846742 /nfs/dbraw/zinc/84/67/42/604846742.db2.gz LJMMVHHVBICUIK-CYBMUJFWSA-N -1 0 349.390 2.642 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000833076274 604854435 /nfs/dbraw/zinc/85/44/35/604854435.db2.gz APKJDXRCUCGQPH-UHFFFAOYSA-N -1 0 336.756 2.989 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC000833373544 604894689 /nfs/dbraw/zinc/89/46/89/604894689.db2.gz RWKMVBXCPKDICO-SJORKVTESA-N -1 0 346.427 2.561 20 30 EFEDRM C[C@]1(NC(=O)c2cc3ccccc3n2CC#N)CCCC[C@H]1C(=O)[O-] ZINC000833567773 604959497 /nfs/dbraw/zinc/95/94/97/604959497.db2.gz QEWOPPQJKJPWKK-LIRRHRJNSA-N -1 0 339.395 2.928 20 30 EFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000833760926 605013822 /nfs/dbraw/zinc/01/38/22/605013822.db2.gz JQUDHIGAEWAOJE-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1c(F)c(F)nc(F)c1F ZINC000833408550 605038367 /nfs/dbraw/zinc/03/83/67/605038367.db2.gz ZURQYGDDTJJVNC-ZCFIWIBFSA-N -1 0 330.241 2.531 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000833407141 605039162 /nfs/dbraw/zinc/03/91/62/605039162.db2.gz RNLPMHSURFOYQE-QMMMGPOBSA-N -1 0 333.298 2.734 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000833378052 605041265 /nfs/dbraw/zinc/04/12/65/605041265.db2.gz WWEMKAFHEKRVQL-UHFFFAOYSA-N -1 0 340.378 2.779 20 30 EFEDRM C#CCCCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000318730444 605046729 /nfs/dbraw/zinc/04/67/29/605046729.db2.gz UIMFBUKEPSRYRY-UHFFFAOYSA-N -1 0 337.422 2.681 20 30 EFEDRM CN(CC(=O)N(CCC#N)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833690814 605083217 /nfs/dbraw/zinc/08/32/17/605083217.db2.gz DPKRHMHEHGAMJK-UHFFFAOYSA-N -1 0 337.379 2.768 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833373518 605084138 /nfs/dbraw/zinc/08/41/38/605084138.db2.gz RETBMDDSRMCSIO-JTQLQIEISA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833378988 605084490 /nfs/dbraw/zinc/08/44/90/605084490.db2.gz SLLXJWSQNVJGNY-UHFFFAOYSA-N -1 0 342.351 2.752 20 30 EFEDRM C=CCOc1cccnc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000833379047 605087576 /nfs/dbraw/zinc/08/75/76/605087576.db2.gz WOFVFHRMTBWJGN-UHFFFAOYSA-N -1 0 341.367 2.709 20 30 EFEDRM CN(Cc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1)C(=O)[O-] ZINC000833694897 605095800 /nfs/dbraw/zinc/09/58/00/605095800.db2.gz DDJSBJWRBHSWKH-UHFFFAOYSA-N -1 0 330.388 2.954 20 30 EFEDRM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000812441500 605099140 /nfs/dbraw/zinc/09/91/40/605099140.db2.gz AOGQWXHPMDJMEM-UHFFFAOYSA-N -1 0 331.397 2.729 20 30 EFEDRM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccccc1N1CCOCC1 ZINC000833783793 605099880 /nfs/dbraw/zinc/09/98/80/605099880.db2.gz QQRQYZJMBAPEDI-UHFFFAOYSA-N -1 0 325.368 2.667 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000833371647 605172147 /nfs/dbraw/zinc/17/21/47/605172147.db2.gz UBALZYYAWBRUCR-UHFFFAOYSA-N -1 0 329.805 2.625 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833367887 605202155 /nfs/dbraw/zinc/20/21/55/605202155.db2.gz ALVJDRFEQKKZBQ-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000833750970 605210025 /nfs/dbraw/zinc/21/00/25/605210025.db2.gz JVSKOUPSJTXGOS-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833373726 605210896 /nfs/dbraw/zinc/21/08/96/605210896.db2.gz ZLQOIXOHPWMIGS-CQSZACIVSA-N -1 0 335.381 2.964 20 30 EFEDRM C#CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000833366383 605225249 /nfs/dbraw/zinc/22/52/49/605225249.db2.gz USFIIXCCCUOEMQ-HNNXBMFYSA-N -1 0 337.375 2.814 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000833379104 605248078 /nfs/dbraw/zinc/24/80/78/605248078.db2.gz ZUPYSUZRJQOMMC-UHFFFAOYSA-N -1 0 347.392 2.892 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833367807 605282417 /nfs/dbraw/zinc/28/24/17/605282417.db2.gz VYFMWVHLOUJCRN-UHFFFAOYSA-N -1 0 332.129 2.946 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833372994 605291035 /nfs/dbraw/zinc/29/10/35/605291035.db2.gz CRRXSTXZBNGVDL-JTQLQIEISA-N -1 0 337.351 2.715 20 30 EFEDRM C=CCn1c(C)cc(C(=O)Cn2nc(C(=O)[O-])c3c2CCCC3)c1C ZINC000833379543 605296261 /nfs/dbraw/zinc/29/62/61/605296261.db2.gz FSPCWVATCUFHKP-UHFFFAOYSA-N -1 0 341.411 2.947 20 30 EFEDRM C=C(C)CN(C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833368909 605311484 /nfs/dbraw/zinc/31/14/84/605311484.db2.gz XGHKLVLFUHWKEH-UHFFFAOYSA-N -1 0 338.429 2.717 20 30 EFEDRM CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccccc1C(=O)[O-] ZINC000833417995 605351974 /nfs/dbraw/zinc/35/19/74/605351974.db2.gz AODCEWISDLGNOS-NVNXTCNLSA-N -1 0 333.409 2.917 20 30 EFEDRM C=CCOc1ccccc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000833378879 605460018 /nfs/dbraw/zinc/46/00/18/605460018.db2.gz PXEJSEKRQDTMAC-UHFFFAOYSA-N -1 0 341.363 2.991 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833515586 605565122 /nfs/dbraw/zinc/56/51/22/605565122.db2.gz IYZHQCDSZHNYDH-JTQLQIEISA-N -1 0 342.380 2.821 20 30 EFEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000833368353 605565333 /nfs/dbraw/zinc/56/53/33/605565333.db2.gz NEZZVNOGCCSRBX-UHFFFAOYSA-N -1 0 347.330 2.596 20 30 EFEDRM C#CCCCCCC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000833361876 605629582 /nfs/dbraw/zinc/62/95/82/605629582.db2.gz QJXYYHUJYFPCPE-LBPRGKRZSA-N -1 0 348.374 2.551 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736108673 605661722 /nfs/dbraw/zinc/66/17/22/605661722.db2.gz MRUOYILVWVAQGE-AWEZNQCLSA-N -1 0 335.379 2.666 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000833432157 605667953 /nfs/dbraw/zinc/66/79/53/605667953.db2.gz JCFWRRPBQCJONA-SFHVURJKSA-N -1 0 347.367 2.690 20 30 EFEDRM C=CCc1cc(OCC)ccc1OC(=O)c1cnc(C(=O)[O-])cn1 ZINC000833380129 605676696 /nfs/dbraw/zinc/67/66/96/605676696.db2.gz VETBBYYREPGCNR-UHFFFAOYSA-N -1 0 328.324 2.521 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000833454247 605704494 /nfs/dbraw/zinc/70/44/94/605704494.db2.gz JCWRCYUVKXZIMY-UHFFFAOYSA-N -1 0 343.427 2.534 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000833417911 605757102 /nfs/dbraw/zinc/75/71/02/605757102.db2.gz BYPGSLQGNBZBNL-INIZCTEOSA-N -1 0 338.363 2.593 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833378496 605819045 /nfs/dbraw/zinc/81/90/45/605819045.db2.gz GUSLRXHPOKQZTH-UHFFFAOYSA-N -1 0 331.299 2.841 20 30 EFEDRM C=CC1CCN(C(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC000833371997 605914925 /nfs/dbraw/zinc/91/49/25/605914925.db2.gz YXWYXKRWAWSPEE-UHFFFAOYSA-N -1 0 344.411 2.871 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833373850 605921883 /nfs/dbraw/zinc/92/18/83/605921883.db2.gz GIZSBDGCECVLKQ-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H](C)CCc2ccccc2)o1 ZINC000822424152 606434499 /nfs/dbraw/zinc/43/44/99/606434499.db2.gz SDQNLXDHGQJMQQ-NSHDSACASA-N -1 0 325.376 2.830 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2ccccc2-c2nn[nH]n2)s1 ZINC000826461741 607884643 /nfs/dbraw/zinc/88/46/43/607884643.db2.gz FLIFEWGZANQFCW-AATRIKPKSA-N -1 0 326.337 2.523 20 30 EFEDRM Cc1ncc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC000823962789 608053802 /nfs/dbraw/zinc/05/38/02/608053802.db2.gz OQUZOGPDIORGKU-UHFFFAOYSA-N -1 0 346.420 2.654 20 30 EFEDRM O=C([O-])c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)s1 ZINC000826461696 608878401 /nfs/dbraw/zinc/87/84/01/608878401.db2.gz DIMJQFQXZCRUBD-RQOWECAXSA-N -1 0 344.327 2.662 20 30 EFEDRM CC[C@H]1C[C@@H](CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184740 609517321 /nfs/dbraw/zinc/51/73/21/609517321.db2.gz YXAKFQOQANEISM-RYUDHWBXSA-N -1 0 347.423 2.656 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(Br)c(OC)c1)C(=O)[O-] ZINC000169258877 1249133751 /nfs/dbraw/zinc/13/37/51/1249133751.db2.gz BZOGKTLOAAUDEV-SNVBAGLBSA-N -1 0 343.177 2.609 20 30 EFEDRM COCC/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000006625622 1249346619 /nfs/dbraw/zinc/34/66/19/1249346619.db2.gz DSSBRDFOBXTNOR-AWNIVKPZSA-N -1 0 337.011 2.983 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(N2CCCC2)c1 ZINC000850758154 1250596438 /nfs/dbraw/zinc/59/64/38/1250596438.db2.gz ZBRROWBGJIXNMH-LJQANCHMSA-N -1 0 347.418 2.926 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850782128 1250615705 /nfs/dbraw/zinc/61/57/05/1250615705.db2.gz IXYLFVUQNLAIMR-CYBMUJFWSA-N -1 0 342.395 2.890 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850782130 1250615951 /nfs/dbraw/zinc/61/59/51/1250615951.db2.gz IXYLFVUQNLAIMR-ZDUSSCGKSA-N -1 0 342.395 2.890 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC3(CC3)CC2)CCCCC1 ZINC000850947226 1250705534 /nfs/dbraw/zinc/70/55/34/1250705534.db2.gz HCUGVMYUWWEGSX-UHFFFAOYSA-N -1 0 338.473 2.877 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCC1 ZINC000850960847 1250713093 /nfs/dbraw/zinc/71/30/93/1250713093.db2.gz NHUXGPLZYNGKTA-SHTZXODSSA-N -1 0 338.473 2.733 20 30 EFEDRM COCc1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000850977289 1250722050 /nfs/dbraw/zinc/72/20/50/1250722050.db2.gz QGAJRXBGIBGOCT-OAHLLOKOSA-N -1 0 342.420 2.842 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000850976985 1250722798 /nfs/dbraw/zinc/72/27/98/1250722798.db2.gz KNWNAJLBFPAILK-KSSFIOAISA-N -1 0 348.402 2.957 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000850976986 1250722894 /nfs/dbraw/zinc/72/28/94/1250722894.db2.gz KNWNAJLBFPAILK-RDTXWAMCSA-N -1 0 348.402 2.957 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1C ZINC000850977047 1250723391 /nfs/dbraw/zinc/72/33/91/1250723391.db2.gz LVFVHMQGOBMSAL-KRWDZBQOSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1C ZINC000850977049 1250723459 /nfs/dbraw/zinc/72/34/59/1250723459.db2.gz LVFVHMQGOBMSAL-QGZVFWFLSA-N -1 0 336.391 2.951 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(F)F)c1ccccc1 ZINC000850978052 1250725075 /nfs/dbraw/zinc/72/50/75/1250725075.db2.gz KPYWGPRULFSQDS-CHWSQXEVSA-N -1 0 346.337 2.868 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000851032600 1250760715 /nfs/dbraw/zinc/76/07/15/1250760715.db2.gz UZDQAVHJKDVAPD-SFHVURJKSA-N -1 0 333.453 2.909 20 30 EFEDRM CC1(C)CC(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC(C)(C)C1 ZINC000851041318 1250764622 /nfs/dbraw/zinc/76/46/22/1250764622.db2.gz SFAVBUNZTSIAEN-UHFFFAOYSA-N -1 0 349.456 2.611 20 30 EFEDRM CCC1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCCC1 ZINC000851192722 1250851470 /nfs/dbraw/zinc/85/14/70/1250851470.db2.gz PHMCKFYLJZOXDC-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192844 1250852456 /nfs/dbraw/zinc/85/24/56/1250852456.db2.gz UDGWHNRLGJCZJD-ZDUSSCGKSA-N -1 0 340.420 2.860 20 30 EFEDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192978 1250852784 /nfs/dbraw/zinc/85/27/84/1250852784.db2.gz YXEPGVXLFLACDQ-UHFFFAOYSA-N -1 0 340.420 2.716 20 30 EFEDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191646 1250857893 /nfs/dbraw/zinc/85/78/93/1250857893.db2.gz JLQQTAIZAKBJLL-LLVKDONJSA-N -1 0 340.420 2.716 20 30 EFEDRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192091 1250858458 /nfs/dbraw/zinc/85/84/58/1250858458.db2.gz YBMXBYSMAKFIBI-MRXNPFEDSA-N -1 0 340.420 2.860 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCCCC1 ZINC000851192105 1250858771 /nfs/dbraw/zinc/85/87/71/1250858771.db2.gz YOTUVFPNICWSHB-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000851190195 1250859069 /nfs/dbraw/zinc/85/90/69/1250859069.db2.gz CWBZFBZXYTYRND-YRNVUSSQSA-N -1 0 338.404 2.636 20 30 EFEDRM C=CCc1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000851625704 1251146054 /nfs/dbraw/zinc/14/60/54/1251146054.db2.gz TXDNANGHKXJJQA-DNVCBOLYSA-N -1 0 347.411 2.806 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C ZINC000176514557 1252013703 /nfs/dbraw/zinc/01/37/03/1252013703.db2.gz ZYCAYDCELBXTON-UHFFFAOYSA-N -1 0 332.381 2.690 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(O)c(F)c1F)CC2 ZINC001272724881 1253075432 /nfs/dbraw/zinc/07/54/32/1253075432.db2.gz PMJDXSMXRACOMC-ZDUSSCGKSA-N -1 0 336.382 2.575 20 30 EFEDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073268192 1253757810 /nfs/dbraw/zinc/75/78/10/1253757810.db2.gz HKUFIIUOMLIZGM-MCIONIFRSA-N -1 0 332.466 2.657 20 30 EFEDRM Cc1cn2c(C=N[N-]c3nc(-c4ccncc4)no3)c(C)nc2s1 ZINC000750948230 1256348307 /nfs/dbraw/zinc/34/83/07/1256348307.db2.gz HREOEVGJMVAWQW-UHFFFAOYSA-N -1 0 339.384 2.904 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000921525233 1256913372 /nfs/dbraw/zinc/91/33/72/1256913372.db2.gz POQGQKWCLAVODS-LLVKDONJSA-N -1 0 338.205 2.600 20 30 EFEDRM N#CC(=C([O-])[C@@H]1Cc2ccccc2C(=O)O1)c1nc(C2CC2)cs1 ZINC000842938458 1257069391 /nfs/dbraw/zinc/06/93/91/1257069391.db2.gz JOHKAJIUWOKCOX-ZFWWWQNUSA-N -1 0 338.388 2.978 20 30 EFEDRM N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000921542421 1257093104 /nfs/dbraw/zinc/09/31/04/1257093104.db2.gz GAJKKVPDAUXBAW-AWEZNQCLSA-N -1 0 328.347 2.529 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)CCc1scnc1C ZINC000803022395 1259537616 /nfs/dbraw/zinc/53/76/16/1259537616.db2.gz JYKVUYAJDFJFSB-UHFFFAOYSA-N -1 0 332.491 2.801 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cc(C)on2)ccc1OCCC(=O)[O-] ZINC000791434177 1278101600 /nfs/dbraw/zinc/10/16/00/1278101600.db2.gz VWXREFHYNMOEQE-HWKANZROSA-N -1 0 331.324 2.741 20 30 EFEDRM CCC1=C(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCO1 ZINC000791537494 1278153199 /nfs/dbraw/zinc/15/31/99/1278153199.db2.gz ONSGBMHDPXAAHT-GFCCVEGCSA-N -1 0 334.397 2.646 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(C2CC2)s1 ZINC000729889863 1264101973 /nfs/dbraw/zinc/10/19/73/1264101973.db2.gz WCGCQQRZOXQLDH-NSHDSACASA-N -1 0 341.392 2.990 20 30 EFEDRM Cc1nnc(NN=C2c3ccc(Cl)c(Cl)c3O[C@H]2C)[n-]c1=O ZINC000729932545 1264115145 /nfs/dbraw/zinc/11/51/45/1264115145.db2.gz LVRFYEXVSMNTMQ-LURJTMIESA-N -1 0 340.170 2.790 20 30 EFEDRM C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(OCC#N)c3)ccc2O1 ZINC000729963692 1264129813 /nfs/dbraw/zinc/12/98/13/1264129813.db2.gz PBTSLLPOTABYJW-LBPRGKRZSA-N -1 0 344.392 2.713 20 30 EFEDRM C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(OCC#N)c3)ccc2O1 ZINC000729963691 1264130423 /nfs/dbraw/zinc/13/04/23/1264130423.db2.gz PBTSLLPOTABYJW-GFCCVEGCSA-N -1 0 344.392 2.713 20 30 EFEDRM COc1cc(C=NNc2ccnc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000730147617 1264214723 /nfs/dbraw/zinc/21/47/23/1264214723.db2.gz GSWAOXJZLSWNLB-UHFFFAOYSA-N -1 0 338.323 2.725 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730150684 1264215822 /nfs/dbraw/zinc/21/58/22/1264215822.db2.gz WNGKUFCKZIBXMR-QPJJXVBHSA-N -1 0 336.390 2.746 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130976539 1264513985 /nfs/dbraw/zinc/51/39/85/1264513985.db2.gz FYWWHQLYJZIZKU-ZDUSSCGKSA-N -1 0 337.763 2.877 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000751131465 1264996636 /nfs/dbraw/zinc/99/66/36/1264996636.db2.gz PTJAOZHZDRLMSW-UHFFFAOYSA-N -1 0 330.369 2.929 20 30 EFEDRM CO[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000733204891 1265110282 /nfs/dbraw/zinc/11/02/82/1265110282.db2.gz CUCBPQMHHYZWEV-NHAFSGSUSA-N -1 0 326.658 2.950 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2\COc3ccc(F)cc3C2=O)c1 ZINC000733206339 1265126475 /nfs/dbraw/zinc/12/64/75/1265126475.db2.gz HDZHSFGRIYFSSX-WUXMJOGZSA-N -1 0 328.295 2.948 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNc2cnnc3ccccc32)c1)C(=O)[O-] ZINC000733749951 1265401281 /nfs/dbraw/zinc/40/12/81/1265401281.db2.gz GPRAUYWLMPFYGX-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM COc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000734082568 1266865318 /nfs/dbraw/zinc/86/53/18/1266865318.db2.gz FAYVIWRHCAVXDX-SNVBAGLBSA-N -1 0 328.328 2.724 20 30 EFEDRM C#C[C@H](CCC)NC(=O)c1cccc(I)c1[O-] ZINC000791742746 1278286316 /nfs/dbraw/zinc/28/63/16/1278286316.db2.gz WEYPDUIWXSXXFH-SECBINFHSA-N -1 0 343.164 2.529 20 30 EFEDRM Cc1ccc(-c2ncc(C=NNc3nnc(C)c(=O)[n-]3)s2)cc1 ZINC000734295248 1266938899 /nfs/dbraw/zinc/93/88/99/1266938899.db2.gz UKEYSTFODLUHSU-UHFFFAOYSA-N -1 0 326.385 2.764 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(-c3c(F)cccc3F)o2)[n-]c1=O ZINC000734363347 1266955083 /nfs/dbraw/zinc/95/50/83/1266955083.db2.gz IPLKFKDRAFOCCF-UHFFFAOYSA-N -1 0 331.282 2.870 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000734419834 1266968446 /nfs/dbraw/zinc/96/84/46/1266968446.db2.gz RVVGEHDHJNHWQK-UHFFFAOYSA-N -1 0 348.428 2.784 20 30 EFEDRM CCc1nn(C)c(Cl)c1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000734746170 1267086554 /nfs/dbraw/zinc/08/65/54/1267086554.db2.gz HYLKPBNEKMJZGB-UHFFFAOYSA-N -1 0 347.831 2.517 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000747042033 1278310543 /nfs/dbraw/zinc/31/05/43/1278310543.db2.gz DMCSYSLMZMLBNF-UHFFFAOYSA-N -1 0 347.396 2.592 20 30 EFEDRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000735204646 1267229291 /nfs/dbraw/zinc/22/92/91/1267229291.db2.gz ZTRCJCNUJLLXDB-SNAWJCMRSA-N -1 0 346.330 2.738 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC1CCOCC1 ZINC000735398024 1267294457 /nfs/dbraw/zinc/29/44/57/1267294457.db2.gz ZUWDJIXBGFQVAR-HNNXBMFYSA-N -1 0 340.379 2.564 20 30 EFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc3cn[nH]c32)cc1 ZINC000131781101 1267441734 /nfs/dbraw/zinc/44/17/34/1267441734.db2.gz LSRWVQOIIYFMQZ-OAHLLOKOSA-N -1 0 334.335 2.533 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(CN=Nc2cccnn2)cc1 ZINC000735977028 1267463143 /nfs/dbraw/zinc/46/31/43/1267463143.db2.gz QIULGKSIWZLIRX-UHFFFAOYSA-N -1 0 338.323 2.793 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC000073837842 1267533396 /nfs/dbraw/zinc/53/33/96/1267533396.db2.gz OGWBHZRWKPZCAC-STQMWFEESA-N -1 0 346.493 2.746 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000073838210 1267534312 /nfs/dbraw/zinc/53/43/12/1267534312.db2.gz WSOQSCSCTGJZQE-UHFFFAOYSA-N -1 0 337.392 2.912 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)CNC(=O)CCC1CCCC1 ZINC000073838387 1267535662 /nfs/dbraw/zinc/53/56/62/1267535662.db2.gz SWUMJPXUSCLXKP-UHFFFAOYSA-N -1 0 332.466 2.548 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1csc2c1CC[C@H](C)C2 ZINC000073838633 1267535913 /nfs/dbraw/zinc/53/59/13/1267535913.db2.gz XVNYONZATFYVBL-UWVGGRQHSA-N -1 0 331.459 2.542 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000073837587 1267553294 /nfs/dbraw/zinc/55/32/94/1267553294.db2.gz AMOTZHBDFAXCRV-UHFFFAOYSA-N -1 0 335.429 2.890 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(CC)C3CCC3)cc2[n-]c1=S ZINC000740747730 1269052226 /nfs/dbraw/zinc/05/22/26/1269052226.db2.gz JHJQMJZTUUWDFT-UHFFFAOYSA-N -1 0 343.452 2.886 20 30 EFEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)n2n1 ZINC000792107615 1278546655 /nfs/dbraw/zinc/54/66/55/1278546655.db2.gz GKJLFCJQLPLFKT-ZDUSSCGKSA-N -1 0 342.362 2.779 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(Br)cc2Cl)[n-]c1=O ZINC000743427111 1270572005 /nfs/dbraw/zinc/57/20/05/1270572005.db2.gz PUDKJNQBMBIYDZ-UHFFFAOYSA-N -1 0 342.584 2.748 20 30 EFEDRM CC#CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000744679756 1271131832 /nfs/dbraw/zinc/13/18/32/1271131832.db2.gz YWABQUWBCNLKQT-UHFFFAOYSA-N -1 0 349.433 2.658 20 30 EFEDRM COC(=O)c1occc1/C=C\C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000745020446 1271274646 /nfs/dbraw/zinc/27/46/46/1271274646.db2.gz FHPCEHSJHBPEPO-ZADCQDASSA-N -1 0 344.319 2.814 20 30 EFEDRM COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)ccc1SC ZINC000746340573 1272065482 /nfs/dbraw/zinc/06/54/82/1272065482.db2.gz LFXNPQDHQGRZBQ-MQDFFIGUSA-N -1 0 332.377 2.645 20 30 EFEDRM N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NCc1cc(=O)[n-]o1 ZINC001169484315 1272949622 /nfs/dbraw/zinc/94/96/22/1272949622.db2.gz MBYWJUAZZRMUSM-UHFFFAOYSA-N -1 0 345.702 2.974 20 30 EFEDRM Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000867012265 1273228484 /nfs/dbraw/zinc/22/84/84/1273228484.db2.gz DGCXWTXGSBDZQD-NSHDSACASA-N -1 0 329.381 2.785 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1nc(C)cc(-c2ccccc2)n1 ZINC001169962493 1273283403 /nfs/dbraw/zinc/28/34/03/1273283403.db2.gz PRUYJRCVKPBVRY-UHFFFAOYSA-N -1 0 334.339 2.878 20 30 EFEDRM CC(C)(C)c1nc(C#N)c([N-]N=C2c3ccc(F)cc3NC2=O)o1 ZINC000746497832 1274303875 /nfs/dbraw/zinc/30/38/75/1274303875.db2.gz DWFVSUYXSJIVKS-UHFFFAOYSA-N -1 0 327.319 2.751 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCC[C@@H]1C ZINC000792562289 1278901371 /nfs/dbraw/zinc/90/13/71/1278901371.db2.gz KCPCIKLVBIOVNI-LSDHHAIUSA-N -1 0 348.509 2.899 20 30 EFEDRM CCCNC(=S)NN=C(C)c1cc(Br)c(F)cc1[O-] ZINC000746556767 1275172082 /nfs/dbraw/zinc/17/20/82/1275172082.db2.gz ANDAAZQDKPDQER-UHFFFAOYSA-N -1 0 348.241 2.892 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccccn3c2)n1 ZINC000785996395 1275267979 /nfs/dbraw/zinc/26/79/79/1275267979.db2.gz HNZWTSXTLVIAGS-CQSZACIVSA-N -1 0 339.376 2.738 20 30 EFEDRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805929113 1278938264 /nfs/dbraw/zinc/93/82/64/1278938264.db2.gz YZTWAUPFBUNBJG-UHFFFAOYSA-N -1 0 326.393 2.554 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000786104337 1275298207 /nfs/dbraw/zinc/29/82/07/1275298207.db2.gz BUPOHEVFYYMJBO-LJQANCHMSA-N -1 0 340.354 2.766 20 30 EFEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000786258043 1275337246 /nfs/dbraw/zinc/33/72/46/1275337246.db2.gz JSJNWWDHWRINNR-UHFFFAOYSA-N -1 0 335.212 2.738 20 30 EFEDRM C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)c1c[nH]c2ccccc21 ZINC000786472546 1275404478 /nfs/dbraw/zinc/40/44/78/1275404478.db2.gz UICCIJLHLFODFI-JSGCOSHPSA-N -1 0 334.379 2.987 20 30 EFEDRM Cc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)s1 ZINC000786531642 1275420907 /nfs/dbraw/zinc/42/09/07/1275420907.db2.gz SETSMUUTRITWJV-GFCCVEGCSA-N -1 0 333.800 2.744 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786530813 1275421194 /nfs/dbraw/zinc/42/11/94/1275421194.db2.gz KELHEARFTXZQBK-GFCCVEGCSA-N -1 0 347.827 2.998 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(C#N)cs1 ZINC000786537401 1275423951 /nfs/dbraw/zinc/42/39/51/1275423951.db2.gz IRWWTNNOLHLYIA-ZDUSSCGKSA-N -1 0 343.795 2.912 20 30 EFEDRM COCc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786540144 1275424255 /nfs/dbraw/zinc/42/42/55/1275424255.db2.gz HBCILXBCBHIVKE-SFHVURJKSA-N -1 0 336.391 2.780 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)c1 ZINC000786539159 1275424436 /nfs/dbraw/zinc/42/44/36/1275424436.db2.gz IJIPLUIMHBIYEJ-AWEZNQCLSA-N -1 0 338.411 2.655 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538876 1275424791 /nfs/dbraw/zinc/42/47/91/1275424791.db2.gz BPQVWOYALUIVIN-SFHVURJKSA-N -1 0 334.375 2.837 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786538824 1275425041 /nfs/dbraw/zinc/42/50/41/1275425041.db2.gz BYEZLQYSOYHMAV-SFHVURJKSA-N -1 0 349.390 2.592 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2csc(C3CC3)n2)c1 ZINC000786541653 1275436782 /nfs/dbraw/zinc/43/67/82/1275436782.db2.gz QNHNBHISZZPLLL-AWEZNQCLSA-N -1 0 339.420 2.968 20 30 EFEDRM CON=Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786541928 1275437219 /nfs/dbraw/zinc/43/72/19/1275437219.db2.gz MSSRKEHLALXCGH-GOSISDBHSA-N -1 0 349.390 2.614 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1F ZINC000786550041 1275439730 /nfs/dbraw/zinc/43/97/30/1275439730.db2.gz MJCRUEQCUVPSNU-OAHLLOKOSA-N -1 0 340.354 2.782 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2scnc2Cl)c1 ZINC000786551246 1275440791 /nfs/dbraw/zinc/44/07/91/1275440791.db2.gz CGKQRJXOJWWQAO-LLVKDONJSA-N -1 0 333.800 2.744 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786554875 1275441351 /nfs/dbraw/zinc/44/13/51/1275441351.db2.gz PLXVYOZPZDBQQY-LLVKDONJSA-N -1 0 349.362 2.623 20 30 EFEDRM CC(C)n1cccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786554991 1275441541 /nfs/dbraw/zinc/44/15/41/1275441541.db2.gz QUSZROCFFOEELS-CQSZACIVSA-N -1 0 345.349 2.986 20 30 EFEDRM CC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786552787 1275441720 /nfs/dbraw/zinc/44/17/20/1275441720.db2.gz QGUUMYKDSGPTSU-SFHVURJKSA-N -1 0 334.375 2.837 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786559483 1275443810 /nfs/dbraw/zinc/44/38/10/1275443810.db2.gz OYHQDPUIUNFOTB-OAHLLOKOSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786562932 1275444102 /nfs/dbraw/zinc/44/41/02/1275444102.db2.gz FOFKQLUPIHCSRD-NSHDSACASA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786572067 1275447224 /nfs/dbraw/zinc/44/72/24/1275447224.db2.gz VNVGHJBORCFDPX-LLVKDONJSA-N -1 0 334.347 2.974 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc(Cl)n1 ZINC000786571013 1275447379 /nfs/dbraw/zinc/44/73/79/1275447379.db2.gz QHSCBTGIXFTOFX-JTQLQIEISA-N -1 0 349.724 2.652 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(F)cc1 ZINC000786571904 1275447594 /nfs/dbraw/zinc/44/75/94/1275447594.db2.gz USDCUGBXRPLOHI-CYBMUJFWSA-N -1 0 332.281 2.743 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000786764762 1275516506 /nfs/dbraw/zinc/51/65/06/1275516506.db2.gz GYWDOZMDVZNSDH-MFKMUULPSA-N -1 0 342.317 2.866 20 30 EFEDRM Cc1cc(COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)ccc1C#N ZINC000786770325 1275520228 /nfs/dbraw/zinc/52/02/28/1275520228.db2.gz ONWBCQHKAOPBPV-ZDUSSCGKSA-N -1 0 342.317 2.613 20 30 EFEDRM Cc1cc(C#N)ccc1COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786779039 1275526448 /nfs/dbraw/zinc/52/64/48/1275526448.db2.gz PJTRDVVBCWSZEI-ZDUSSCGKSA-N -1 0 342.317 2.613 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cn2ccccc2n1)c1ccccc1 ZINC000787032249 1275621309 /nfs/dbraw/zinc/62/13/09/1275621309.db2.gz QEVUSKNYIPZWLF-HZPDHXFCSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cncc(F)c1)c1ccccc1 ZINC000787041319 1275623945 /nfs/dbraw/zinc/62/39/45/1275623945.db2.gz OQRNXTQGLDYKRT-CVEARBPZSA-N -1 0 325.343 2.811 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(OC)nc1)c1ccccc1 ZINC000787046273 1275628039 /nfs/dbraw/zinc/62/80/39/1275628039.db2.gz PVRCCVABQLWIDG-HZPDHXFCSA-N -1 0 337.379 2.680 20 30 EFEDRM C[C@H]1[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000787155314 1275690810 /nfs/dbraw/zinc/69/08/10/1275690810.db2.gz PWUCVNWWDFPARH-WCQYABFASA-N -1 0 345.399 2.848 20 30 EFEDRM CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167916 1275700856 /nfs/dbraw/zinc/70/08/56/1275700856.db2.gz GZQOHPVULUSONS-SAPJKDLVSA-N -1 0 341.319 2.769 20 30 EFEDRM C[C@H](Oc1cccc(C=NNC(=S)NC2CCCCC2)c1)C(=O)[O-] ZINC000746678942 1275767649 /nfs/dbraw/zinc/76/76/49/1275767649.db2.gz KCAGCLHNGVUHOL-LBPRGKRZSA-N -1 0 349.456 2.669 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNCc2ccc(F)c(F)c2)c1 ZINC000746680646 1275779268 /nfs/dbraw/zinc/77/92/68/1275779268.db2.gz ZGBHVPFEGLBMPA-UHFFFAOYSA-N -1 0 334.322 2.942 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])[C@H](C)CC)cc1OC ZINC000746692813 1275815667 /nfs/dbraw/zinc/81/56/67/1275815667.db2.gz AYOSVUTZMSCPEM-QSYFUGGGSA-N -1 0 347.411 2.985 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000787681806 1275854688 /nfs/dbraw/zinc/85/46/88/1275854688.db2.gz RUIRYOKGICWVSC-ZDUSSCGKSA-N -1 0 343.452 2.642 20 30 EFEDRM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NC(=O)CCS ZINC001143985576 1278992064 /nfs/dbraw/zinc/99/20/64/1278992064.db2.gz PKOLIHUNTPVQOR-UHFFFAOYSA-N -1 0 343.404 2.803 20 30 EFEDRM Cc1cccc2c1NC(=O)C2=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788030499 1276010345 /nfs/dbraw/zinc/01/03/45/1276010345.db2.gz OSZJZUWYODWGFW-UHFFFAOYSA-N -1 0 336.380 2.677 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000788072476 1276027214 /nfs/dbraw/zinc/02/72/14/1276027214.db2.gz VSPGRNCMDWYKRA-UHFFFAOYSA-N -1 0 345.445 2.597 20 30 EFEDRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000788493024 1276199168 /nfs/dbraw/zinc/19/91/68/1276199168.db2.gz YSSITVVETWRHMF-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817714901 1276290235 /nfs/dbraw/zinc/29/02/35/1276290235.db2.gz YMKWZIPSAWHQNY-CQSZACIVSA-N -1 0 331.372 2.841 20 30 EFEDRM N#CCN(C(=O)COC(=O)c1cc([S-])ccc1F)c1ccccc1 ZINC000798724258 1279018981 /nfs/dbraw/zinc/01/89/81/1279018981.db2.gz OENODLGNILLNHR-UHFFFAOYSA-N -1 0 344.367 2.828 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000817854880 1276348472 /nfs/dbraw/zinc/34/84/72/1276348472.db2.gz BJHJDDSZWIQHEY-INIZCTEOSA-N -1 0 330.428 2.671 20 30 EFEDRM C=CCCCCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000817881055 1276360176 /nfs/dbraw/zinc/36/01/76/1276360176.db2.gz KHDWEFSXAWADSK-UHFFFAOYSA-N -1 0 332.400 2.884 20 30 EFEDRM O=C([O-])[C@H]1CCC(N=Nc2ncccc2[N+](=O)[O-])c2ccccc21 ZINC000789023824 1276461200 /nfs/dbraw/zinc/46/12/00/1276461200.db2.gz PJMYEPKQQRKJBW-LBPRGKRZSA-N -1 0 326.312 2.768 20 30 EFEDRM CCOc1ccc(C[C@H](CNC(=O)C(C#N)(CC)CC)C(=O)[O-])cc1 ZINC000923062007 1276681660 /nfs/dbraw/zinc/68/16/60/1276681660.db2.gz KPOASPARQNFJGT-OAHLLOKOSA-N -1 0 346.427 2.775 20 30 EFEDRM C[C@H](NC(=O)C1(C#N)CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000923084026 1276752991 /nfs/dbraw/zinc/75/29/91/1276752991.db2.gz VQNFNZQHVHZBIA-GOEBONIOSA-N -1 0 328.412 2.909 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000819964609 1276954446 /nfs/dbraw/zinc/95/44/46/1276954446.db2.gz XCJNDMAUBSOKFC-UHFFFAOYSA-N -1 0 346.792 2.655 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)c(OC)c1 ZINC000923150401 1277019790 /nfs/dbraw/zinc/01/97/90/1277019790.db2.gz HEVMQLMSUYBGQZ-ZFWWWQNUSA-N -1 0 347.411 2.514 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947536 1287262181 /nfs/dbraw/zinc/26/21/81/1287262181.db2.gz MCSIIFRZUSXMPI-UHFFFAOYSA-N -1 0 332.157 2.591 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1CC1CCCC1 ZINC000790007252 1277166874 /nfs/dbraw/zinc/16/68/74/1277166874.db2.gz PEBNMYKKAMTRTM-UHFFFAOYSA-N -1 0 325.372 2.606 20 30 EFEDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000820627868 1277254416 /nfs/dbraw/zinc/25/44/16/1277254416.db2.gz USLKPMDUASXSGJ-KBPBESRZSA-N -1 0 326.462 2.733 20 30 EFEDRM COC(=O)c1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cn1C ZINC000790141630 1277276019 /nfs/dbraw/zinc/27/60/19/1277276019.db2.gz PWCIRXIHWWXHKJ-UHFFFAOYSA-N -1 0 335.747 2.609 20 30 EFEDRM CC[C@@H](C)NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000790184220 1277331356 /nfs/dbraw/zinc/33/13/56/1277331356.db2.gz SBLIWAYACUTWHF-SNVBAGLBSA-N -1 0 331.338 2.948 20 30 EFEDRM COc1cc(C=NNc2ncccc2C)ccc1OCCC(=O)[O-] ZINC000790186594 1277335958 /nfs/dbraw/zinc/33/59/58/1277335958.db2.gz NCWRVLODXQLIAX-UHFFFAOYSA-N -1 0 329.356 2.698 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cnnn2-c2ccccc2)ccc1O ZINC000821007824 1277415030 /nfs/dbraw/zinc/41/50/30/1277415030.db2.gz LEZCCMSUDCVEBG-CLFYSBASSA-N -1 0 335.319 2.567 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n1 ZINC000585128419 1277458772 /nfs/dbraw/zinc/45/87/72/1277458772.db2.gz AREUCUZHOIPBNA-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CC2CCN(CC(F)(F)F)CC2)c1 ZINC000821348304 1277526331 /nfs/dbraw/zinc/52/63/31/1277526331.db2.gz AQTTWUCOTQINSH-UHFFFAOYSA-N -1 0 341.333 2.867 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000790399162 1277539722 /nfs/dbraw/zinc/53/97/22/1277539722.db2.gz ZZQHIUJWHLPNPK-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM Cc1c(N=NC2CCC(CS(C)(=O)=O)CC2)cccc1C(=O)[O-] ZINC000844622469 1279129108 /nfs/dbraw/zinc/12/91/08/1279129108.db2.gz CWEMRZKFGZGGHE-UHFFFAOYSA-N -1 0 338.429 2.696 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000792916832 1279275667 /nfs/dbraw/zinc/27/56/67/1279275667.db2.gz DWTBSBQHWFWHDF-YCRREMRBSA-N -1 0 340.335 2.898 20 30 EFEDRM CC[C@@H](NN=Cc1ccc2ccc(Br)cc2n1)C(=O)[O-] ZINC000793070783 1279354935 /nfs/dbraw/zinc/35/49/35/1279354935.db2.gz ABXPHIUSTCRJDW-GFCCVEGCSA-N -1 0 336.189 2.784 20 30 EFEDRM CC[C@@H](NN=C(C)c1cc(Br)cc(C)c1O)C(=O)[O-] ZINC000793071032 1279356152 /nfs/dbraw/zinc/35/61/52/1279356152.db2.gz CAPHMGWQRMYRES-LLVKDONJSA-N -1 0 329.194 2.640 20 30 EFEDRM CC[C@H](NN=C(C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000793072606 1279357372 /nfs/dbraw/zinc/35/73/72/1279357372.db2.gz UANKVBHCFHDHGJ-QWHCGFSZSA-N -1 0 327.425 2.605 20 30 EFEDRM CC[C@H](NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000793072115 1279357462 /nfs/dbraw/zinc/35/74/62/1279357462.db2.gz PSOZIRIEQMAEDW-LBPRGKRZSA-N -1 0 340.305 2.678 20 30 EFEDRM CC[C@@H](NN=Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000793073101 1279357541 /nfs/dbraw/zinc/35/75/41/1279357541.db2.gz YHZYGBBGLGPPNT-CYBMUJFWSA-N -1 0 340.305 2.678 20 30 EFEDRM CC[C@@H](NN=C1CCCc2ccc(Br)cc21)C(=O)[O-] ZINC000793073467 1279357604 /nfs/dbraw/zinc/35/76/04/1279357604.db2.gz WBEUMRDVRAMDOL-GFCCVEGCSA-N -1 0 325.206 2.942 20 30 EFEDRM CC[C@H](NN=Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000793072215 1279357615 /nfs/dbraw/zinc/35/76/15/1279357615.db2.gz MMBDKXYCAFMWAT-INIZCTEOSA-N -1 0 348.834 2.988 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(-c2ccccc2C(=O)OC)o1)C(=O)[O-] ZINC000793073123 1279357878 /nfs/dbraw/zinc/35/78/78/1279357878.db2.gz YRWBLTXKUSHHGP-CQSZACIVSA-N -1 0 330.340 2.520 20 30 EFEDRM CC[C@H](NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000793072752 1279358057 /nfs/dbraw/zinc/35/80/57/1279358057.db2.gz WCNFMHVONYSMDA-KRWDZBQOSA-N -1 0 329.400 2.889 20 30 EFEDRM CC[C@H](NN=Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)[O-] ZINC000793077843 1279359104 /nfs/dbraw/zinc/35/91/04/1279359104.db2.gz ISIFUZXIAJUGPH-KRWDZBQOSA-N -1 0 349.394 2.721 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000793079438 1279360038 /nfs/dbraw/zinc/36/00/38/1279360038.db2.gz SIUKMUXQSBAELH-QGZVFWFLSA-N -1 0 328.416 2.643 20 30 EFEDRM CC[C@H](NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000793080486 1279360294 /nfs/dbraw/zinc/36/02/94/1279360294.db2.gz ZOKXEJUWEGABMO-ZDUSSCGKSA-N -1 0 347.327 2.650 20 30 EFEDRM COC(=O)c1cc(NN=Cc2cccc(OCC(=O)[O-])c2)ccc1C ZINC000793090423 1279367065 /nfs/dbraw/zinc/36/70/65/1279367065.db2.gz QVUPZJDJZAKLEH-UHFFFAOYSA-N -1 0 342.351 2.691 20 30 EFEDRM CC[C@@H](NN=C([C@@H](C)OCc1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000793058604 1279367609 /nfs/dbraw/zinc/36/76/09/1279367609.db2.gz WKFGWWCPUINUAA-ZYHUDNBSSA-N -1 0 332.322 2.963 20 30 EFEDRM COc1cc(CN=Nc2cccc(Cl)n2)ccc1OCC(=O)[O-] ZINC000793160999 1279391128 /nfs/dbraw/zinc/39/11/28/1279391128.db2.gz GYFUGQFCLRTPIM-UHFFFAOYSA-N -1 0 335.747 2.653 20 30 EFEDRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194850 1279436792 /nfs/dbraw/zinc/43/67/92/1279436792.db2.gz ATEMWRKHGSVASG-OAHLLOKOSA-N -1 0 340.489 2.979 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCC(C)CC1 ZINC000793204222 1279465003 /nfs/dbraw/zinc/46/50/03/1279465003.db2.gz FXYPMUURFXOOFA-JXQTWKCFSA-N -1 0 326.462 2.589 20 30 EFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000793203439 1279465170 /nfs/dbraw/zinc/46/51/70/1279465170.db2.gz LGAOOQUEMGVWQC-HNNXBMFYSA-N -1 0 334.441 2.566 20 30 EFEDRM CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793204773 1279465263 /nfs/dbraw/zinc/46/52/63/1279465263.db2.gz LDJIAABNMLLVNC-UHFFFAOYSA-N -1 0 338.454 2.550 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCC(C)CC1 ZINC000793204223 1279465276 /nfs/dbraw/zinc/46/52/76/1279465276.db2.gz FXYPMUURFXOOFA-RUXDESIVSA-N -1 0 326.462 2.589 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cnc1Cl ZINC000793406352 1279600100 /nfs/dbraw/zinc/60/01/00/1279600100.db2.gz RUYVDQHTMOLGSV-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(C#N)c1 ZINC000793381265 1279606076 /nfs/dbraw/zinc/60/60/76/1279606076.db2.gz NHIHIWLRVGOCAQ-UHFFFAOYSA-N -1 0 348.355 2.529 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845442161 1279633844 /nfs/dbraw/zinc/63/38/44/1279633844.db2.gz WPCZABJFQPLAGF-MRXNPFEDSA-N -1 0 348.406 2.915 20 30 EFEDRM Cc1nc(-c2ccccc2F)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000845441682 1279633902 /nfs/dbraw/zinc/63/39/02/1279633902.db2.gz GXFMPUPOVGJYAJ-GFCCVEGCSA-N -1 0 343.383 2.859 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCCc1ccc2c(c1)CCCC2 ZINC000845502254 1279687505 /nfs/dbraw/zinc/68/75/05/1279687505.db2.gz KLAUUEOREMAITM-UHFFFAOYSA-N -1 0 348.468 2.638 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000871956154 1287375399 /nfs/dbraw/zinc/37/53/99/1287375399.db2.gz ZTQNZFNGOKTMRK-SECBINFHSA-N -1 0 347.820 2.680 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(C)(C)C#N)c1Cl ZINC000871967258 1287379287 /nfs/dbraw/zinc/37/92/87/1287379287.db2.gz ISMLZZCSWSORCT-UHFFFAOYSA-N -1 0 344.820 2.517 20 30 EFEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C#N ZINC000871967223 1287379382 /nfs/dbraw/zinc/37/93/82/1287379382.db2.gz GZUJDHZDDFLOAF-UHFFFAOYSA-N -1 0 344.820 2.517 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000846149004 1280037063 /nfs/dbraw/zinc/03/70/63/1280037063.db2.gz FMGVZDNMXCAOCI-UHFFFAOYSA-N -1 0 334.416 2.982 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000846147276 1280037589 /nfs/dbraw/zinc/03/75/89/1280037589.db2.gz UHDPPPGGFKWMHK-OAHLLOKOSA-N -1 0 345.443 2.936 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000846152911 1280038620 /nfs/dbraw/zinc/03/86/20/1280038620.db2.gz CNWRWPGGHORPES-VIFPVBQESA-N -1 0 346.305 2.665 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000846155094 1280039337 /nfs/dbraw/zinc/03/93/37/1280039337.db2.gz UDGWWAJUCVFCET-QMMMGPOBSA-N -1 0 347.198 2.953 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000846152377 1280039790 /nfs/dbraw/zinc/03/97/90/1280039790.db2.gz AUEIYUCHRYBOOA-SNVBAGLBSA-N -1 0 330.306 2.742 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000846155796 1280040470 /nfs/dbraw/zinc/04/04/70/1280040470.db2.gz YOCNLNIUYIILBW-LBPRGKRZSA-N -1 0 348.399 2.511 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000846155366 1280040476 /nfs/dbraw/zinc/04/04/76/1280040476.db2.gz SKMLTQIJMBQPLH-JTQLQIEISA-N -1 0 345.424 2.736 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000846157710 1280041152 /nfs/dbraw/zinc/04/11/52/1280041152.db2.gz WBBLNQGTRAYYJK-QMMMGPOBSA-N -1 0 348.733 2.545 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000846147559 1280053045 /nfs/dbraw/zinc/05/30/45/1280053045.db2.gz SCSUCCMFNALDLD-UHFFFAOYSA-N -1 0 341.205 2.628 20 30 EFEDRM Cc1nc(SCC(=O)[N-]OC/C=C\Cl)c(C#N)c(C)c1C ZINC000794288323 1280111949 /nfs/dbraw/zinc/11/19/49/1280111949.db2.gz FZJNTZAOHIZZCP-PLNGDYQASA-N -1 0 325.821 2.771 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000846540835 1280234840 /nfs/dbraw/zinc/23/48/40/1280234840.db2.gz AUDDAWULUJRCOL-QWRGUYRKSA-N -1 0 326.393 2.508 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000846541719 1280235672 /nfs/dbraw/zinc/23/56/72/1280235672.db2.gz LNGWSWZMOGHJEF-CYBMUJFWSA-N -1 0 346.456 2.988 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000846542387 1280236021 /nfs/dbraw/zinc/23/60/21/1280236021.db2.gz ARBPYXXIHDVZHQ-GFCCVEGCSA-N -1 0 333.413 2.595 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nnc(-c2cccs2)n1CC ZINC000846542024 1280237668 /nfs/dbraw/zinc/23/76/68/1280237668.db2.gz RYBNSHRCYLBZQR-SNVBAGLBSA-N -1 0 338.458 2.741 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000846547407 1280239993 /nfs/dbraw/zinc/23/99/93/1280239993.db2.gz AABHIQKISXIVAY-KEYYUXOJSA-N -1 0 330.428 2.608 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000846546530 1280241954 /nfs/dbraw/zinc/24/19/54/1280241954.db2.gz CPNIXHTXCUJCDK-ZSGNIPIJSA-N -1 0 340.782 2.621 20 30 EFEDRM C=C(C)CO[N-]C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000846536915 1280251737 /nfs/dbraw/zinc/25/17/37/1280251737.db2.gz BGNQOCPJLQETDW-UHFFFAOYSA-N -1 0 348.424 2.994 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1C ZINC000805851763 1280812703 /nfs/dbraw/zinc/81/27/03/1280812703.db2.gz PCWWBAYYFZDSDD-AWEZNQCLSA-N -1 0 332.400 2.641 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000805892484 1280850715 /nfs/dbraw/zinc/85/07/15/1280850715.db2.gz FTIWEIMPUBOFLL-UHFFFAOYSA-N -1 0 328.821 2.760 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1F ZINC000805896084 1280854693 /nfs/dbraw/zinc/85/46/93/1280854693.db2.gz BXGVNOXCURTTGN-UHFFFAOYSA-N -1 0 330.356 2.552 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000747323420 1281038364 /nfs/dbraw/zinc/03/83/64/1281038364.db2.gz BBQKPSZOMSCUIJ-UHFFFAOYSA-N -1 0 337.404 2.714 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC001175536835 1287471324 /nfs/dbraw/zinc/47/13/24/1287471324.db2.gz IXOAECVMHZPLGT-UHFFFAOYSA-N -1 0 329.381 2.541 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000123981917 1287471307 /nfs/dbraw/zinc/47/13/07/1287471307.db2.gz BKXDKZPFBSDCHP-UHFFFAOYSA-N -1 0 337.351 2.703 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000123981211 1287471366 /nfs/dbraw/zinc/47/13/66/1287471366.db2.gz KWRAFWZGTBWDOJ-UHFFFAOYSA-N -1 0 343.408 2.628 20 30 EFEDRM COC(=O)c1coc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806563245 1281095672 /nfs/dbraw/zinc/09/56/72/1281095672.db2.gz UELRSYITXDLKHO-MLBQELRYSA-N -1 0 326.304 2.904 20 30 EFEDRM COC(=O)c1coc(/C=C2\C[C@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806563249 1281096396 /nfs/dbraw/zinc/09/63/96/1281096396.db2.gz UELRSYITXDLKHO-WGPYJDKQSA-N -1 0 326.304 2.904 20 30 EFEDRM COC(=O)CCOc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000747361898 1281163648 /nfs/dbraw/zinc/16/36/48/1281163648.db2.gz BMKLVWSMLFQHSB-UHFFFAOYSA-N -1 0 344.323 2.993 20 30 EFEDRM CCc1cc(NC(=O)c2c([O-])c(C)ncc2CO)cc(CC)c1C#N ZINC001147842652 1281315241 /nfs/dbraw/zinc/31/52/41/1281315241.db2.gz HWVGXHHVTVPPDN-UHFFFAOYSA-N -1 0 339.395 2.837 20 30 EFEDRM N#CCn1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000747406213 1281356144 /nfs/dbraw/zinc/35/61/44/1281356144.db2.gz AEBZAEOXQUBZAT-UHFFFAOYSA-N -1 0 331.184 2.514 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c[nH]c(C(F)(F)F)c1 ZINC000807958936 1281478574 /nfs/dbraw/zinc/47/85/74/1281478574.db2.gz KHMMQAVSAPAFPH-UHFFFAOYSA-N -1 0 338.314 2.914 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cn2c(n1)CCCC2 ZINC000807982339 1281481279 /nfs/dbraw/zinc/48/12/79/1281481279.db2.gz XLOFUUUVASKCQW-UHFFFAOYSA-N -1 0 328.372 2.762 20 30 EFEDRM O=C([O-])c1ccccc1COc1cccc(CN=Nc2nc[nH]n2)c1 ZINC000807998847 1281489782 /nfs/dbraw/zinc/48/97/82/1281489782.db2.gz SEXVDEULWROZSN-UHFFFAOYSA-N -1 0 337.339 2.528 20 30 EFEDRM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000808065932 1281512118 /nfs/dbraw/zinc/51/21/18/1281512118.db2.gz CNBBPDTZHIYTDL-UHFFFAOYSA-N -1 0 348.380 2.909 20 30 EFEDRM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000808069529 1281514902 /nfs/dbraw/zinc/51/49/02/1281514902.db2.gz XYBHTVFVWPKTLZ-UHFFFAOYSA-N -1 0 334.353 2.519 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c(Cl)c1 ZINC000808127101 1281527162 /nfs/dbraw/zinc/52/71/62/1281527162.db2.gz OIBKBVWAGSSYAW-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808112092 1281540494 /nfs/dbraw/zinc/54/04/94/1281540494.db2.gz XNBJCYLPAPFVDX-UHFFFAOYSA-N -1 0 336.804 2.758 20 30 EFEDRM C#C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000805305180 1281575361 /nfs/dbraw/zinc/57/53/61/1281575361.db2.gz DQYWEEHSZSHSIX-STQMWFEESA-N -1 0 343.210 2.679 20 30 EFEDRM CC(C)Oc1ccc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)cc1C#N ZINC001148768206 1281752956 /nfs/dbraw/zinc/75/29/56/1281752956.db2.gz KUQUTBFEGUADMQ-UHFFFAOYSA-N -1 0 332.747 2.747 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C(F)F)CCCC2)n1 ZINC000808648089 1281818982 /nfs/dbraw/zinc/81/89/82/1281818982.db2.gz RSXADMBPYHHALI-SNVBAGLBSA-N -1 0 342.367 2.997 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808979856 1281979702 /nfs/dbraw/zinc/97/97/02/1281979702.db2.gz NXNBXXZMMLAIEC-ZDUSSCGKSA-N -1 0 347.296 2.739 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cncc(C(F)(F)F)c1 ZINC000808979025 1281980882 /nfs/dbraw/zinc/98/08/82/1281980882.db2.gz DGNNJAZWCVPJDJ-CYBMUJFWSA-N -1 0 339.317 2.872 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000809066985 1282012371 /nfs/dbraw/zinc/01/23/71/1282012371.db2.gz GJEQLCUUKUUZNA-UHFFFAOYSA-N -1 0 345.420 2.820 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c(C)n1 ZINC000872340329 1287544816 /nfs/dbraw/zinc/54/48/16/1287544816.db2.gz VWBPKCIPDTYCKA-UHFFFAOYSA-N -1 0 348.428 2.695 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809158565 1282068709 /nfs/dbraw/zinc/06/87/09/1282068709.db2.gz UHBAVICGFIKUFZ-KRXBUXKQSA-N -1 0 325.320 2.945 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809158562 1282069409 /nfs/dbraw/zinc/06/94/09/1282069409.db2.gz UGJDYXMVRBOBQY-KRXBUXKQSA-N -1 0 326.304 2.773 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCc2cccc(C(C)=O)c2)cc1C#N ZINC001411324104 1282070693 /nfs/dbraw/zinc/07/06/93/1282070693.db2.gz CJIOASGUNDMLNA-UHFFFAOYSA-N -1 0 342.376 2.940 20 30 EFEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)n1 ZINC000124056872 1287550241 /nfs/dbraw/zinc/55/02/41/1287550241.db2.gz HDJDWTDSLMPTAB-CQSZACIVSA-N -1 0 325.393 2.720 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1 ZINC000748005598 1287571797 /nfs/dbraw/zinc/57/17/97/1287571797.db2.gz YPEOTTGYDSIKCH-UHFFFAOYSA-N -1 0 345.399 2.849 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OC2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000809750323 1282449376 /nfs/dbraw/zinc/44/93/76/1282449376.db2.gz XQPVPRNDDBHDKJ-SFHVURJKSA-N -1 0 336.432 2.770 20 30 EFEDRM CCOC(=O)c1cc(F)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000872420113 1287572840 /nfs/dbraw/zinc/57/28/40/1287572840.db2.gz JKEXVYXFUDSTAC-UHFFFAOYSA-N -1 0 342.392 2.684 20 30 EFEDRM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000809846915 1282503800 /nfs/dbraw/zinc/50/38/00/1282503800.db2.gz MMIUENPSPYSHGR-GFCCVEGCSA-N -1 0 348.783 2.714 20 30 EFEDRM C[C@@H]1CC(N=Nc2cc(Br)ncn2)CC[C@@H]1C(=O)[O-] ZINC000872436868 1287582174 /nfs/dbraw/zinc/58/21/74/1287582174.db2.gz SMNHXAAULPBZPA-APPZFPTMSA-N -1 0 327.182 2.528 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1 ZINC000810528872 1283320787 /nfs/dbraw/zinc/32/07/87/1283320787.db2.gz XRPZWODTMUEWCX-ZDUSSCGKSA-N -1 0 330.409 2.685 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000810529628 1283324086 /nfs/dbraw/zinc/32/40/86/1283324086.db2.gz KYJCJDZYPZNOIP-INIZCTEOSA-N -1 0 342.395 2.635 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000810668800 1283474775 /nfs/dbraw/zinc/47/47/75/1283474775.db2.gz BDORZVAKZXORJJ-UHFFFAOYSA-N -1 0 332.425 2.708 20 30 EFEDRM Cc1ccc2sc(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)cc2c1 ZINC000810668926 1283476496 /nfs/dbraw/zinc/47/64/96/1283476496.db2.gz GCMHKUBQRCFHGC-UHFFFAOYSA-N -1 0 334.422 2.573 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1)c1ccccc1 ZINC000810709432 1283546173 /nfs/dbraw/zinc/54/61/73/1283546173.db2.gz APUTYSYLCBGLES-HOTGVXAUSA-N -1 0 332.363 2.543 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccnc3ccncc32)c1 ZINC000810709099 1283547980 /nfs/dbraw/zinc/54/79/80/1283547980.db2.gz PSXDZLILWNXUJT-MRXNPFEDSA-N -1 0 344.374 2.577 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1N(C)c1ccccc1 ZINC000810782359 1283586557 /nfs/dbraw/zinc/58/65/57/1283586557.db2.gz NSBKYHGMOBZDOQ-UHFFFAOYSA-N -1 0 342.420 2.537 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000810785966 1283587649 /nfs/dbraw/zinc/58/76/49/1283587649.db2.gz VMHNGYNLNPKVFJ-UHFFFAOYSA-N -1 0 339.482 2.546 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000810784281 1283587657 /nfs/dbraw/zinc/58/76/57/1283587657.db2.gz ZBWSCWNXMCFYQM-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000810784163 1283588097 /nfs/dbraw/zinc/58/80/97/1283588097.db2.gz UVNWHHZRDXYXKM-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000810786382 1283588121 /nfs/dbraw/zinc/58/81/21/1283588121.db2.gz GWHZOWASZGEUFM-UHFFFAOYSA-N -1 0 327.814 2.638 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1ccco1 ZINC000810771298 1283622433 /nfs/dbraw/zinc/62/24/33/1283622433.db2.gz IQSFVSOXCFVSCF-UHFFFAOYSA-N -1 0 349.433 2.655 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1N(C)c1ccccc1 ZINC000810775237 1283633587 /nfs/dbraw/zinc/63/35/87/1283633587.db2.gz XNECEKNZWZKHCT-UHFFFAOYSA-N -1 0 342.420 2.537 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000810777729 1283633910 /nfs/dbraw/zinc/63/39/10/1283633910.db2.gz MWHPJJFAUKJOKV-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000810776230 1283633925 /nfs/dbraw/zinc/63/39/25/1283633925.db2.gz KUDCEPHNBVAKIU-CYBMUJFWSA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000810776771 1283634067 /nfs/dbraw/zinc/63/40/67/1283634067.db2.gz HTDKLFNMFCJIJU-HZPDHXFCSA-N -1 0 343.489 2.611 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000810980755 1283885248 /nfs/dbraw/zinc/88/52/48/1283885248.db2.gz DFUIXZORHRGLBN-UHFFFAOYSA-N -1 0 332.425 2.656 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ncsc2-c2ccccc2)CC1 ZINC000810980452 1283886064 /nfs/dbraw/zinc/88/60/64/1283886064.db2.gz YVICRNYOUFMOAC-UHFFFAOYSA-N -1 0 348.449 2.978 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC000810983826 1283907769 /nfs/dbraw/zinc/90/77/69/1283907769.db2.gz IECVYDMFJLCMNL-UHFFFAOYSA-N -1 0 333.453 2.971 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000810985497 1283913176 /nfs/dbraw/zinc/91/31/76/1283913176.db2.gz NMGIAOQOPPXDRR-RYUDHWBXSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2nc(-c3ccccc3)oc2C)CC1 ZINC000810985658 1283913239 /nfs/dbraw/zinc/91/32/39/1283913239.db2.gz PLSAKORMYFGBTK-UHFFFAOYSA-N -1 0 346.408 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC000810986442 1283913525 /nfs/dbraw/zinc/91/35/25/1283913525.db2.gz ZTPKKPUZYCJVTM-GFCCVEGCSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(OCC)cc2)CC1 ZINC000810985782 1283914211 /nfs/dbraw/zinc/91/42/11/1283914211.db2.gz GVAUKWOJNWJZOP-UHFFFAOYSA-N -1 0 337.441 2.573 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)c2ccc(F)cc2)CC1 ZINC000810987713 1283914951 /nfs/dbraw/zinc/91/49/51/1283914951.db2.gz XBHOXODHFDOTFQ-CQSZACIVSA-N -1 0 325.405 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC000810986861 1283915272 /nfs/dbraw/zinc/91/52/72/1283915272.db2.gz PVKBUCOXCXLEDD-GFCCVEGCSA-N -1 0 325.405 2.559 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC000810987631 1283915459 /nfs/dbraw/zinc/91/54/59/1283915459.db2.gz SNNHHIRAYRJCNN-CQSZACIVSA-N -1 0 329.462 2.669 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 ZINC000810987079 1283915472 /nfs/dbraw/zinc/91/54/72/1283915472.db2.gz XITDUSXINLJMLH-UHFFFAOYSA-N -1 0 333.453 2.890 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Br)cc2)CC1 ZINC000810987429 1283915590 /nfs/dbraw/zinc/91/55/90/1283915590.db2.gz LUTGSHIPBUCKJA-UHFFFAOYSA-N -1 0 344.230 2.617 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000810986837 1283915664 /nfs/dbraw/zinc/91/56/64/1283915664.db2.gz OVPULJOAHWNPTG-UHFFFAOYSA-N -1 0 347.358 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)O[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000810987904 1283915819 /nfs/dbraw/zinc/91/58/19/1283915819.db2.gz DPNJDXNNVCPKEK-KFWWJZLASA-N -1 0 343.489 2.915 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2NCC)CC1 ZINC000810987536 1283915962 /nfs/dbraw/zinc/91/59/62/1283915962.db2.gz OVURPXUTEJOSDX-UHFFFAOYSA-N -1 0 342.848 2.940 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000810988238 1283917025 /nfs/dbraw/zinc/91/70/25/1283917025.db2.gz DRPXQRLZZNFOPC-CQSZACIVSA-N -1 0 333.453 2.736 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC000810989059 1283917383 /nfs/dbraw/zinc/91/73/83/1283917383.db2.gz YSNPHPJVFUROGZ-UHFFFAOYSA-N -1 0 341.454 2.574 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000811664475 1284493673 /nfs/dbraw/zinc/49/36/73/1284493673.db2.gz DWVZPEZYKPHBPB-GJZGRUSLSA-N -1 0 342.395 2.930 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000811667443 1284496629 /nfs/dbraw/zinc/49/66/29/1284496629.db2.gz VNZKXTAIKHTPFB-AWEZNQCLSA-N -1 0 328.368 2.541 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12 ZINC000811667409 1284496708 /nfs/dbraw/zinc/49/67/08/1284496708.db2.gz UWGYUWRSVIHVHD-GFCCVEGCSA-N -1 0 338.367 2.652 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1O ZINC000811697897 1284546417 /nfs/dbraw/zinc/54/64/17/1284546417.db2.gz OAXCBIVLVRFNRM-FNORWQNLSA-N -1 0 328.320 2.760 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000811830636 1284659583 /nfs/dbraw/zinc/65/95/83/1284659583.db2.gz XJJUKDXRAUHMBW-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM O=C1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1F ZINC000812444954 1285139696 /nfs/dbraw/zinc/13/96/96/1285139696.db2.gz PVXWWVMKXLQYLS-DKSCHZSNSA-N -1 0 343.314 2.664 20 30 EFEDRM COc1ccc(C=NNc2ccccc2C(=O)[O-])c(OC)c1OC ZINC000812441600 1285139923 /nfs/dbraw/zinc/13/99/23/1285139923.db2.gz CWSBBBJBCZZQNC-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2c(C)nn(C)c2Cl)cc1CC(=O)[O-] ZINC000812495310 1285178645 /nfs/dbraw/zinc/17/86/45/1285178645.db2.gz NTKOUGYCDOKPLD-AATRIKPKSA-N -1 0 348.786 2.914 20 30 EFEDRM N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000813067751 1285626670 /nfs/dbraw/zinc/62/66/70/1285626670.db2.gz QZQCUFXQRKWRNR-UHFFFAOYSA-N -1 0 328.393 2.852 20 30 EFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CCCC#N)c1Cl ZINC000813099410 1285650448 /nfs/dbraw/zinc/65/04/48/1285650448.db2.gz ZPQIBDGKXFAERB-UHFFFAOYSA-N -1 0 335.212 2.801 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000813194772 1285725175 /nfs/dbraw/zinc/72/51/75/1285725175.db2.gz IOYZYUWOMLJHIS-UHFFFAOYSA-N -1 0 329.368 2.662 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCC(C)CC1 ZINC000813982895 1286231693 /nfs/dbraw/zinc/23/16/93/1286231693.db2.gz YEYOUXVLMHIYAE-PXCJXSSVSA-N -1 0 349.456 2.611 20 30 EFEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CCC(C)CC1 ZINC000813982894 1286231862 /nfs/dbraw/zinc/23/18/62/1286231862.db2.gz YEYOUXVLMHIYAE-LDZOIKDWSA-N -1 0 349.456 2.611 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1)OCC ZINC000814016996 1286237848 /nfs/dbraw/zinc/23/78/48/1286237848.db2.gz RIJHNEVOKHZTQG-HZPDHXFCSA-N -1 0 339.457 2.955 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)OCC ZINC000814016994 1286237998 /nfs/dbraw/zinc/23/79/98/1286237998.db2.gz RIJHNEVOKHZTQG-CVEARBPZSA-N -1 0 339.457 2.955 20 30 EFEDRM C=CCC(C)(C)COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000814004381 1286256288 /nfs/dbraw/zinc/25/62/88/1286256288.db2.gz NNMHPNQTGSBLPH-UHFFFAOYSA-N -1 0 332.425 2.981 20 30 EFEDRM C=C[C@@H]1C[C@]1(Nc1c(C)cc(C)cc1C)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170743919 1286532904 /nfs/dbraw/zinc/53/29/04/1286532904.db2.gz AMYVZDGVHLVLLC-RDTXWAMCSA-N -1 0 348.468 2.577 20 30 EFEDRM C=C[C@@H]1C[C@]1(Nc1ccccc1C1CC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170745238 1286542057 /nfs/dbraw/zinc/54/20/57/1286542057.db2.gz CCEFHAHXMAQJGJ-FZKQIMNGSA-N -1 0 346.452 2.529 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC3CCC2CC3)n1 ZINC000814496328 1286705852 /nfs/dbraw/zinc/70/58/52/1286705852.db2.gz PLOOPIWFJVGYJR-PQAZSJQKSA-N -1 0 332.425 2.997 20 30 EFEDRM Cc1cc(C)nc(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)n1 ZINC000814681444 1286890892 /nfs/dbraw/zinc/89/08/92/1286890892.db2.gz MSXKLVPXDHFDAS-CYBMUJFWSA-N -1 0 328.372 2.781 20 30 EFEDRM CCc1nn(C)c(OC)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000814689293 1286935770 /nfs/dbraw/zinc/93/57/70/1286935770.db2.gz YEVGGZPPYBKTFE-UHFFFAOYSA-N -1 0 336.779 2.789 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000814729872 1286951918 /nfs/dbraw/zinc/95/19/18/1286951918.db2.gz FCRRNRGIWCQQLB-WVWOOGAGSA-N -1 0 325.478 2.906 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000814729871 1286952254 /nfs/dbraw/zinc/95/22/54/1286952254.db2.gz FCRRNRGIWCQQLB-RFHZTLPTSA-N -1 0 325.478 2.906 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000822769464 1289114208 /nfs/dbraw/zinc/11/42/08/1289114208.db2.gz LBGRZUJBGFWIBZ-KRWDZBQOSA-N -1 0 341.455 2.679 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000822769466 1289114251 /nfs/dbraw/zinc/11/42/51/1289114251.db2.gz LBGRZUJBGFWIBZ-QGZVFWFLSA-N -1 0 341.455 2.679 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1cc(C(=O)[O-])cs1 ZINC000814715765 1286960737 /nfs/dbraw/zinc/96/07/37/1286960737.db2.gz JWTYPRWVHMTSFA-UHFFFAOYSA-N -1 0 325.459 2.967 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2cccnc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814720471 1286964535 /nfs/dbraw/zinc/96/45/35/1286964535.db2.gz MKGKENALLLMEEK-PWSUYJOCSA-N -1 0 334.445 2.881 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@H](C(=O)[O-])C[C@H]1C ZINC000814770447 1287013865 /nfs/dbraw/zinc/01/38/65/1287013865.db2.gz FPWRURWJUHFEQT-NEPJUHHUSA-N -1 0 342.399 2.705 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)n1C)c1csc(C(=O)[O-])c1 ZINC000814771403 1287016461 /nfs/dbraw/zinc/01/64/61/1287016461.db2.gz RIPYDHNWTPAQEZ-UHFFFAOYSA-N -1 0 342.380 2.529 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)NCc1ccc(F)cc1 ZINC000814785932 1287036817 /nfs/dbraw/zinc/03/68/17/1287036817.db2.gz OAYHGVTZOIEEJH-JQWIXIFHSA-N -1 0 337.420 2.667 20 30 EFEDRM C[C@H]1CC(=NNC(=S)NCc2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000814785976 1287037370 /nfs/dbraw/zinc/03/73/70/1287037370.db2.gz PIZUZHXEFDJJSF-IINYFYTJSA-N -1 0 337.420 2.667 20 30 EFEDRM Cc1nc(C#N)c(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)o1 ZINC000814812910 1287047599 /nfs/dbraw/zinc/04/75/99/1287047599.db2.gz QKOIJAYERHPOFO-SNVBAGLBSA-N -1 0 328.328 2.543 20 30 EFEDRM CC(CCCCCCC(=O)[O-])=NNS(=O)(=O)Cc1ccccc1 ZINC000814815908 1287048094 /nfs/dbraw/zinc/04/80/94/1287048094.db2.gz FSEBNPUGPBXWQI-UHFFFAOYSA-N -1 0 340.445 2.907 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814821678 1287056169 /nfs/dbraw/zinc/05/61/69/1287056169.db2.gz FQOAIXMPSPMVON-SFYZADRCSA-N -1 0 339.383 2.526 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCC2CCC2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814833395 1287081844 /nfs/dbraw/zinc/08/18/44/1287081844.db2.gz HYGUHYXNASUMJF-PWSUYJOCSA-N -1 0 325.478 2.764 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814838317 1287087249 /nfs/dbraw/zinc/08/72/49/1287087249.db2.gz JESKFEVOJNMBCM-VXGBXAGGSA-N -1 0 348.472 2.916 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000814838754 1287087287 /nfs/dbraw/zinc/08/72/87/1287087287.db2.gz AGFBSEPAIQPIBL-VXGBXAGGSA-N -1 0 348.472 2.916 20 30 EFEDRM CC(=NNc1ccccc1S(C)(=O)=O)c1csc(C(=O)[O-])c1 ZINC000814846391 1287096113 /nfs/dbraw/zinc/09/61/13/1287096113.db2.gz PKLQINCSFWKKKL-UHFFFAOYSA-N -1 0 338.410 2.686 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1cccnn1 ZINC000814852723 1287100004 /nfs/dbraw/zinc/10/00/04/1287100004.db2.gz MHFATWNOZCCMGQ-ZDUSSCGKSA-N -1 0 328.372 2.749 20 30 EFEDRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1C#N ZINC001174675161 1287109529 /nfs/dbraw/zinc/10/95/29/1287109529.db2.gz FTJDNFSQCYUEME-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM CC(N=Nc1ccncc1Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814869027 1287109915 /nfs/dbraw/zinc/10/99/15/1287109915.db2.gz QMTUWBKFMJESRR-NSHDSACASA-N -1 0 333.775 2.845 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1Nc1ccc(NC(C)=O)c(C#N)c1 ZINC001174676978 1287111130 /nfs/dbraw/zinc/11/11/30/1287111130.db2.gz QKGXWMBAVIERKJ-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM COc1ccc(CCNN=C2CC(C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000814855249 1287121358 /nfs/dbraw/zinc/12/13/58/1287121358.db2.gz JEQUOYIBRRUOIJ-UHFFFAOYSA-N -1 0 338.407 3.000 20 30 EFEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ncc(F)cn2)C1 ZINC000814889155 1287130911 /nfs/dbraw/zinc/13/09/11/1287130911.db2.gz GRJGMEFSRHDQNO-UHFFFAOYSA-N -1 0 334.738 2.853 20 30 EFEDRM CCOC(=O)c1cnc(N=NC(C)c2cc(C(=O)[O-])cs2)nc1C ZINC000814895276 1287136744 /nfs/dbraw/zinc/13/67/44/1287136744.db2.gz JIFAYPDAOVCXFK-UHFFFAOYSA-N -1 0 348.384 2.558 20 30 EFEDRM COc1nccnc1N=NC(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814905825 1287145976 /nfs/dbraw/zinc/14/59/76/1287145976.db2.gz UMSYXCCGLGPTSJ-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM CC[C@@H](NN=C(C)Cc1ccc(F)cc1Br)C(=O)[O-] ZINC000814936692 1287166887 /nfs/dbraw/zinc/16/68/87/1287166887.db2.gz GGDQKEBPZVQOEY-GFCCVEGCSA-N -1 0 331.185 2.959 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nnc(-c2ccccn2)s1 ZINC000814911201 1287172760 /nfs/dbraw/zinc/17/27/60/1287172760.db2.gz WWXJZIHKZWBLKA-UWVGGRQHSA-N -1 0 331.401 2.889 20 30 EFEDRM CC(=NNc1cnn(C)c1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814915080 1287173902 /nfs/dbraw/zinc/17/39/02/1287173902.db2.gz NTAKVTUQRTVMHX-UHFFFAOYSA-N -1 0 326.356 2.938 20 30 EFEDRM COc1ccccc1Nc1nc(Cl)c(C=NNCC(=O)[O-])s1 ZINC000814958611 1287186946 /nfs/dbraw/zinc/18/69/46/1287186946.db2.gz FWYVEEFSLWRIFF-UHFFFAOYSA-N -1 0 340.792 2.557 20 30 EFEDRM C[C@H]1CCc2ccc(Br)cc2C(=NNCC(=O)[O-])C1 ZINC000814958269 1287187482 /nfs/dbraw/zinc/18/74/82/1287187482.db2.gz IIQYHIOSVGWETL-VIFPVBQESA-N -1 0 325.206 2.800 20 30 EFEDRM CC(C)(C)n1cc(C=NNCC(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000814958444 1287187575 /nfs/dbraw/zinc/18/75/75/1287187575.db2.gz SRJMDACETOPHIL-UHFFFAOYSA-N -1 0 334.807 2.967 20 30 EFEDRM C[C@H]1CSc2ccc(Br)cc2C1=NNCC(=O)[O-] ZINC000814960852 1287188126 /nfs/dbraw/zinc/18/81/26/1287188126.db2.gz WVVFPAXZQRPNEG-ZETCQYMHSA-N -1 0 329.219 2.569 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000871652191 1287192126 /nfs/dbraw/zinc/19/21/26/1287192126.db2.gz ZFAXYKWYPSITFR-JTQLQIEISA-N -1 0 346.305 2.928 20 30 EFEDRM CCC(N=Nc1cnnn1C)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814979838 1287201354 /nfs/dbraw/zinc/20/13/54/1287201354.db2.gz SUSLCJODQKAXPY-UHFFFAOYSA-N -1 0 345.403 2.675 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(CC)nc1C ZINC000815908969 1287879564 /nfs/dbraw/zinc/87/95/64/1287879564.db2.gz OCYCNBRNXDDDHM-GFCCVEGCSA-N -1 0 341.367 2.905 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C(F)=C/C2CCCCC2)c1 ZINC000815898904 1287889853 /nfs/dbraw/zinc/88/98/53/1287889853.db2.gz YCQDISUWTOWHKN-GDNBJRDFSA-N -1 0 336.388 2.797 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000816037008 1287949189 /nfs/dbraw/zinc/94/91/89/1287949189.db2.gz BFFWSXWIYZXZTH-ZDUSSCGKSA-N -1 0 345.786 2.838 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000816038286 1287949465 /nfs/dbraw/zinc/94/94/65/1287949465.db2.gz QWPMRSSACVUWQI-UHFFFAOYSA-N -1 0 341.738 2.637 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ncoc1C1CC1 ZINC000816037439 1287950146 /nfs/dbraw/zinc/95/01/46/1287950146.db2.gz NRCBUGFAZFTBOS-ZDUSSCGKSA-N -1 0 343.770 2.844 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C(F)=C/C2CCCCC2)CCC1 ZINC000816025671 1287958762 /nfs/dbraw/zinc/95/87/62/1287958762.db2.gz AJVQVUGNTHZUGN-LCYFTJDESA-N -1 0 328.409 2.560 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000816078566 1287990192 /nfs/dbraw/zinc/99/01/92/1287990192.db2.gz KEZJVFUAGCLRPE-UHFFFAOYSA-N -1 0 345.701 2.635 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C)OCC ZINC000816336735 1288059229 /nfs/dbraw/zinc/05/92/29/1288059229.db2.gz OZXCPLSQDHJTEJ-MRXNPFEDSA-N -1 0 339.457 2.621 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)nc1C#N ZINC001176663913 1288060421 /nfs/dbraw/zinc/06/04/21/1288060421.db2.gz PINUDYQVUHBXFJ-UHFFFAOYSA-N -1 0 325.637 2.740 20 30 EFEDRM C#CC[C@@]1(C(=O)[N-]OC[C@@H](C)CC)CCCN1C(=O)OC(C)(C)C ZINC000816977094 1288357111 /nfs/dbraw/zinc/35/71/11/1288357111.db2.gz QQDKIKNVJHYLCT-KSSFIOAISA-N -1 0 338.448 2.873 20 30 EFEDRM C#Cc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1F ZINC001177343490 1288401006 /nfs/dbraw/zinc/40/10/06/1288401006.db2.gz GPYILZRJZHMKCI-UHFFFAOYSA-N -1 0 325.415 2.678 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000817351959 1288546229 /nfs/dbraw/zinc/54/62/29/1288546229.db2.gz FMPBUTXEIMIJJH-CQSZACIVSA-N -1 0 343.420 2.641 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794723960 1303026256 /nfs/dbraw/zinc/02/62/56/1303026256.db2.gz ALPULIUNXNAEDQ-ORCRQEGFSA-N -1 0 340.291 2.527 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821556176 1288753978 /nfs/dbraw/zinc/75/39/78/1288753978.db2.gz MFOZIYAOPIBBOU-UHFFFAOYSA-N -1 0 337.775 2.540 20 30 EFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821555229 1288754005 /nfs/dbraw/zinc/75/40/05/1288754005.db2.gz APKAHYXEWZMMDL-UHFFFAOYSA-N -1 0 329.849 2.931 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000870242463 1305220521 /nfs/dbraw/zinc/22/05/21/1305220521.db2.gz CORGWTSGHAISMW-CQSZACIVSA-N -1 0 327.359 2.819 20 30 EFEDRM COC(=O)[C@@H]([N-]c1c(F)c(F)c(C#N)c(F)c1F)C(F)(F)F ZINC001171015596 1289290891 /nfs/dbraw/zinc/29/08/91/1289290891.db2.gz QCBVEAPMXOFIPA-SECBINFHSA-N -1 0 330.159 2.630 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1C#N ZINC000872852501 1289426203 /nfs/dbraw/zinc/42/62/03/1289426203.db2.gz KQRUFSRYGUVOAA-UHFFFAOYSA-N -1 0 336.413 2.880 20 30 EFEDRM CC[C@H](CC#N)NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181017719 1289676878 /nfs/dbraw/zinc/67/68/78/1289676878.db2.gz LGHTYLLAAGPPFT-OLZOCXBDSA-N -1 0 341.333 2.605 20 30 EFEDRM CCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000873501989 1289876954 /nfs/dbraw/zinc/87/69/54/1289876954.db2.gz MRTAKKMZJOGRAB-JTQLQIEISA-N -1 0 328.821 2.843 20 30 EFEDRM CC[C@H](Cc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000873520212 1289891822 /nfs/dbraw/zinc/89/18/22/1289891822.db2.gz NIDGDVUHHWTXJS-MRXNPFEDSA-N -1 0 348.468 2.704 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC000873526662 1289897025 /nfs/dbraw/zinc/89/70/25/1289897025.db2.gz XZKUBHQEJKZSLF-UHFFFAOYSA-N -1 0 348.449 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2cc(Cl)ccc2C)CC1 ZINC000873531311 1289900098 /nfs/dbraw/zinc/90/00/98/1289900098.db2.gz MWYDRKIMHCVDDP-UHFFFAOYSA-N -1 0 343.832 2.582 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCC1 ZINC000817554329 1289959103 /nfs/dbraw/zinc/95/91/03/1289959103.db2.gz GUPKDJADDCDOCP-HNNXBMFYSA-N -1 0 345.399 2.896 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC000873934640 1290127628 /nfs/dbraw/zinc/12/76/28/1290127628.db2.gz PPJDDJIHRGCQRR-UHFFFAOYSA-N -1 0 334.269 2.715 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC000873933815 1290128194 /nfs/dbraw/zinc/12/81/94/1290128194.db2.gz BCINLOTUPUVKDJ-QMMMGPOBSA-N -1 0 334.269 2.714 20 30 EFEDRM CCOC[C@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2nn(CC)cc21 ZINC001232677530 1312759989 /nfs/dbraw/zinc/75/99/89/1312759989.db2.gz MJUXBRPTTSUODT-MRXNPFEDSA-N -1 0 340.427 2.616 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001232679147 1312760237 /nfs/dbraw/zinc/76/02/37/1312760237.db2.gz FCOKPWFICRBLSC-UHFFFAOYSA-N -1 0 336.395 2.614 20 30 EFEDRM CN(C)C(=O)[C@@H]1CC[C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])O1 ZINC000091515472 1290163011 /nfs/dbraw/zinc/16/30/11/1290163011.db2.gz JAJRNJGCLIMERM-QADNVRDMSA-N -1 0 345.226 2.754 20 30 EFEDRM N#Cc1cc(NC(=O)CC2CCC3(CC2)OCCO3)c([O-])cc1F ZINC001183334881 1290333629 /nfs/dbraw/zinc/33/36/29/1290333629.db2.gz CPPBWPVWVNYVST-UHFFFAOYSA-N -1 0 334.347 2.665 20 30 EFEDRM C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)[N-]C#N ZINC001183430968 1290346681 /nfs/dbraw/zinc/34/66/81/1290346681.db2.gz BBXFDSSOGJWQKA-LLVKDONJSA-N -1 0 325.299 2.854 20 30 EFEDRM COc1ccc(C2(C(=O)Nc3ccc(O)c(C#N)c3)CC2)c(OC)c1 ZINC001184140997 1290423819 /nfs/dbraw/zinc/42/38/19/1290423819.db2.gz GNUQRXPRYDJVPS-UHFFFAOYSA-N -1 0 338.363 2.951 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000821187027 1290427480 /nfs/dbraw/zinc/42/74/80/1290427480.db2.gz YPOOJZOYESQIFY-UHFFFAOYSA-N -1 0 337.228 2.796 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC001184696204 1290494148 /nfs/dbraw/zinc/49/41/48/1290494148.db2.gz QWUCPTCSVGLDME-UHFFFAOYSA-N -1 0 333.340 2.614 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC001184695903 1290494434 /nfs/dbraw/zinc/49/44/34/1290494434.db2.gz NDCJLOHBVSCAIC-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cc1C(=O)[O-] ZINC001184710617 1290496924 /nfs/dbraw/zinc/49/69/24/1290496924.db2.gz DDYOKARDOZGIIA-UHFFFAOYSA-N -1 0 336.413 2.588 20 30 EFEDRM Cc1ccc(S(=O)(=O)NC23CCC(C#N)(CC2)CC3)cc1C(=O)[O-] ZINC001184715909 1290498262 /nfs/dbraw/zinc/49/82/62/1290498262.db2.gz CBOXIYNQAUFSDO-UHFFFAOYSA-N -1 0 348.424 2.588 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001185795948 1290765387 /nfs/dbraw/zinc/76/53/87/1290765387.db2.gz UCSZRBIHKCGNNK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COC(=O)c1cc(NS(=O)(=O)c2cccc(F)c2C)ccc1C#N ZINC001185837093 1290768830 /nfs/dbraw/zinc/76/88/30/1290768830.db2.gz VABNNHQNBPBHFQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cnn1C(C)C ZINC000092693792 1290821150 /nfs/dbraw/zinc/82/11/50/1290821150.db2.gz RSGPHOPUYYOWSM-UHFFFAOYSA-N -1 0 347.440 2.955 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3nsnc3c2)c1C#N ZINC001186261873 1290915179 /nfs/dbraw/zinc/91/51/79/1290915179.db2.gz YSVDLYZMXVPXCZ-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)c(C#N)c1 ZINC001186261811 1290915865 /nfs/dbraw/zinc/91/58/65/1290915865.db2.gz XFYVQJQNQBRMOC-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cnn(CCO[C@@H]2CCCCO2)c1 ZINC001212948698 1290918707 /nfs/dbraw/zinc/91/87/07/1290918707.db2.gz ZZERDAHMFRVSCW-CQSZACIVSA-N -1 0 334.401 2.809 20 30 EFEDRM COCCCn1nccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1C ZINC000876498298 1290931545 /nfs/dbraw/zinc/93/15/45/1290931545.db2.gz UTPITRBZYQSKSY-SREVYHEPSA-N -1 0 328.368 2.822 20 30 EFEDRM CC(C)COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000093099809 1290995740 /nfs/dbraw/zinc/99/57/40/1290995740.db2.gz QCXPZHONEICNBK-UHFFFAOYSA-N -1 0 334.397 2.810 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186767877 1291016711 /nfs/dbraw/zinc/01/67/11/1291016711.db2.gz UZNOPWYXJNDTIO-UHFFFAOYSA-N -1 0 344.252 2.877 20 30 EFEDRM Cc1ccc(C)n1-c1ccc(O)c(C(=O)Nc2nnccc2C#N)c1 ZINC001186829797 1291025837 /nfs/dbraw/zinc/02/58/37/1291025837.db2.gz NKYOIXKXNVLCQD-UHFFFAOYSA-N -1 0 333.351 2.714 20 30 EFEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186863348 1291040997 /nfs/dbraw/zinc/04/09/97/1291040997.db2.gz MOVHMKZKQGEALA-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(C#N)n1 ZINC001187044552 1291082227 /nfs/dbraw/zinc/08/22/27/1291082227.db2.gz UPUPIUCXRLFQFO-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187043757 1291082545 /nfs/dbraw/zinc/08/25/45/1291082545.db2.gz HQASHMKBIFSPEK-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000126320566 1291114089 /nfs/dbraw/zinc/11/40/89/1291114089.db2.gz NPCKLAUHLUWOOP-JTQLQIEISA-N -1 0 328.397 2.797 20 30 EFEDRM COC(=O)c1ccc(NC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001187794016 1291234426 /nfs/dbraw/zinc/23/44/26/1291234426.db2.gz XDZZTYOKNIYKRH-UHFFFAOYSA-N -1 0 329.287 2.834 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1ncnc2c1ncn2CC ZINC001187994800 1291280928 /nfs/dbraw/zinc/28/09/28/1291280928.db2.gz SACJGYQPJBURCT-UHFFFAOYSA-N -1 0 339.465 2.948 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nc(C)cc(C)c1C(N)=O ZINC001187993103 1291280945 /nfs/dbraw/zinc/28/09/45/1291280945.db2.gz ISRHWGIOKPELOF-UHFFFAOYSA-N -1 0 341.477 2.900 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nccnc1C(=O)OCC ZINC001187994239 1291281134 /nfs/dbraw/zinc/28/11/34/1291281134.db2.gz GJCYVOUYADCJQW-UHFFFAOYSA-N -1 0 343.449 2.756 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1c(OC)ncnc1OC ZINC001187994335 1291281296 /nfs/dbraw/zinc/28/12/96/1291281296.db2.gz JAJLIZGVEZXNIU-UHFFFAOYSA-N -1 0 331.438 2.596 20 30 EFEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC001188024026 1291297494 /nfs/dbraw/zinc/29/74/94/1291297494.db2.gz FUCMTJNPRYSUTO-UHFFFAOYSA-N -1 0 339.330 2.655 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(-c3cnc(N)nc3)c2)c([O-])cc1F ZINC001188462549 1291394075 /nfs/dbraw/zinc/39/40/75/1291394075.db2.gz LOAXVJNAUYRZAL-UHFFFAOYSA-N -1 0 349.325 2.694 20 30 EFEDRM N#Cc1cnn(-c2cccc(Cl)c2)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188576082 1291423061 /nfs/dbraw/zinc/42/30/61/1291423061.db2.gz FEYORNLLCCZRDI-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1cnn(-c2cccc(Cl)c2)c1[N-]S(=O)(=O)CC1CC1 ZINC001188936976 1291520072 /nfs/dbraw/zinc/52/00/72/1291520072.db2.gz DWUYEJBDACDSSN-UHFFFAOYSA-N -1 0 336.804 2.549 20 30 EFEDRM Cc1cc(Cl)nc(N2CCC([N-]C(=O)C(F)(F)F)CC2)c1C#N ZINC001166895986 1312862736 /nfs/dbraw/zinc/86/27/36/1312862736.db2.gz DBULCPIBGABYDX-UHFFFAOYSA-N -1 0 346.740 2.562 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC001189232416 1291625500 /nfs/dbraw/zinc/62/55/00/1291625500.db2.gz KJFMKRWNJPGSAY-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1 ZINC000775230837 1291644913 /nfs/dbraw/zinc/64/49/13/1291644913.db2.gz ADWRYECXNGHWSG-MRXNPFEDSA-N -1 0 344.411 2.751 20 30 EFEDRM Cc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c(=O)n1C ZINC000775233464 1291658421 /nfs/dbraw/zinc/65/84/21/1291658421.db2.gz NLWCGFZJGNVFFY-CAOOACKPSA-N -1 0 335.747 2.580 20 30 EFEDRM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]CC(F)(F)C(F)(F)F ZINC001189328574 1291677828 /nfs/dbraw/zinc/67/78/28/1291677828.db2.gz WFNGSMBEORBXHX-UHFFFAOYSA-N -1 0 339.232 2.582 20 30 EFEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000775240464 1291687445 /nfs/dbraw/zinc/68/74/45/1291687445.db2.gz NPZGWZFJNYVJNW-JTQLQIEISA-N -1 0 332.356 2.955 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)cn1 ZINC001189497970 1291738189 /nfs/dbraw/zinc/73/81/89/1291738189.db2.gz BUKIJVHFLLKJIS-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM N#Cc1cc(NC(=O)c2cnccc2Br)c([O-])cc1F ZINC001189584913 1291770732 /nfs/dbraw/zinc/77/07/32/1291770732.db2.gz HEWDBMBLOWSXLK-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)cnc2C)c1 ZINC001189586097 1291771695 /nfs/dbraw/zinc/77/16/95/1291771695.db2.gz HNHJBOHPXCYJCB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2C#N)c1 ZINC001189609086 1291781823 /nfs/dbraw/zinc/78/18/23/1291781823.db2.gz IOQDXZZEQTVKTE-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1)OCC ZINC000775291593 1291818891 /nfs/dbraw/zinc/81/88/91/1291818891.db2.gz AOFXYXDGHLGMAP-GFCCVEGCSA-N -1 0 331.459 2.541 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(C#N)c1 ZINC001189698790 1291819988 /nfs/dbraw/zinc/81/99/88/1291819988.db2.gz MDRZGKZVBZONHW-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000775295645 1291820933 /nfs/dbraw/zinc/82/09/33/1291820933.db2.gz NGCNCRRRAXWRBV-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccc(C(=O)N2CCC(=O)CC2)cc1 ZINC001189940164 1291941814 /nfs/dbraw/zinc/94/18/14/1291941814.db2.gz FNSHTIQDJGKSQL-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM C#C[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1F ZINC000796086849 1291950156 /nfs/dbraw/zinc/95/01/56/1291950156.db2.gz WRNDFFPZSXTZFL-CYBMUJFWSA-N -1 0 342.779 2.737 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2cncc(C)c2)n1 ZINC000796111193 1291982481 /nfs/dbraw/zinc/98/24/81/1291982481.db2.gz WDJFLOOQGUDYHP-AWEZNQCLSA-N -1 0 343.408 2.507 20 30 EFEDRM Cn1cc(Br)cc1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001190359215 1292135897 /nfs/dbraw/zinc/13/58/97/1292135897.db2.gz OKLDKRGARQEBBI-UHFFFAOYSA-N -1 0 338.136 2.756 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387563 1292142028 /nfs/dbraw/zinc/14/20/28/1292142028.db2.gz HPGSFUYEDIOFKM-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(O)cc1F ZINC001190392424 1292146160 /nfs/dbraw/zinc/14/61/60/1292146160.db2.gz TZCWOPZPVOOOFG-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1 ZINC001190395162 1292147535 /nfs/dbraw/zinc/14/75/35/1292147535.db2.gz FICUWXHACCMCGS-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(F)cc1 ZINC001190401242 1292151450 /nfs/dbraw/zinc/15/14/50/1292151450.db2.gz HJWSQHNTIMINPH-GFCCVEGCSA-N -1 0 344.289 2.786 20 30 EFEDRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cc1 ZINC001190431300 1292172239 /nfs/dbraw/zinc/17/22/39/1292172239.db2.gz ICCVUCRIWBKFEK-UHFFFAOYSA-N -1 0 332.429 2.780 20 30 EFEDRM COc1cc(Cl)nc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190619385 1292229434 /nfs/dbraw/zinc/22/94/34/1292229434.db2.gz JUDFYDSMYYZGPJ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190647691 1292263553 /nfs/dbraw/zinc/26/35/53/1292263553.db2.gz GXALHXARPNUORI-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc2o1 ZINC001190647969 1292263993 /nfs/dbraw/zinc/26/39/93/1292263993.db2.gz OSKLVOKNEMMJLP-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C ZINC001190648476 1292265315 /nfs/dbraw/zinc/26/53/15/1292265315.db2.gz RCFNZFHPCGHWLQ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3nnsc3c2)c1 ZINC001190655311 1292267861 /nfs/dbraw/zinc/26/78/61/1292267861.db2.gz CZWAIWLMSMSCDA-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190655710 1292268679 /nfs/dbraw/zinc/26/86/79/1292268679.db2.gz LMOMMFHIKUTTBY-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(C#N)c1 ZINC001190656257 1292269022 /nfs/dbraw/zinc/26/90/22/1292269022.db2.gz XUKYIVMEHIPRSU-UHFFFAOYSA-N -1 0 343.339 2.572 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c1 ZINC001190655624 1292269189 /nfs/dbraw/zinc/26/91/89/1292269189.db2.gz HUDYJSHMSNUFDP-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCCO3)c1 ZINC001190657529 1292270403 /nfs/dbraw/zinc/27/04/03/1292270403.db2.gz CJXHOMLKYRZWSC-UHFFFAOYSA-N -1 0 332.356 2.823 20 30 EFEDRM CC1(c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc2)COC1 ZINC001190657466 1292271195 /nfs/dbraw/zinc/27/11/95/1292271195.db2.gz ASCUZIJOAFXCMA-UHFFFAOYSA-N -1 0 346.383 2.786 20 30 EFEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ncc[nH]3)c2)cc1 ZINC001190730739 1292294064 /nfs/dbraw/zinc/29/40/64/1292294064.db2.gz ZBAVCTFFJWMHOS-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)CC1 ZINC001190773582 1292308593 /nfs/dbraw/zinc/30/85/93/1292308593.db2.gz HNHSQNNDXZRLKL-UHFFFAOYSA-N -1 0 340.408 2.866 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190896262 1292367864 /nfs/dbraw/zinc/36/78/64/1292367864.db2.gz IEOUUPNHTYUTQN-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC(=O)c1cccnc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937783 1292378239 /nfs/dbraw/zinc/37/82/39/1292378239.db2.gz VVKQUOZKEBEKJL-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC001190939279 1292378392 /nfs/dbraw/zinc/37/83/92/1292378392.db2.gz YMYPYVWAAQJSOX-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CCOc1cncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190939255 1292378793 /nfs/dbraw/zinc/37/87/93/1292378793.db2.gz XEHOYJHPVPMUEA-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c1 ZINC001190969560 1292403822 /nfs/dbraw/zinc/40/38/22/1292403822.db2.gz CNXIFTCUWFRGCZ-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2CO)c1 ZINC001190972557 1292408089 /nfs/dbraw/zinc/40/80/89/1292408089.db2.gz CPGFUSGJJSYZMJ-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190981396 1292411098 /nfs/dbraw/zinc/41/10/98/1292411098.db2.gz JGRSYYWYTCACEQ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CO)c(F)c2)c1 ZINC001190981934 1292412333 /nfs/dbraw/zinc/41/23/33/1292412333.db2.gz VEHGTWBNSUBFLA-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncccc1C#N ZINC001191656060 1292606618 /nfs/dbraw/zinc/60/66/18/1292606618.db2.gz VJBHNFMRNGKWJZ-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191663496 1292608436 /nfs/dbraw/zinc/60/84/36/1292608436.db2.gz OAPUYGNIXGHNMB-UHFFFAOYSA-N -1 0 330.409 2.996 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnccc1C#N ZINC001191662279 1292609935 /nfs/dbraw/zinc/60/99/35/1292609935.db2.gz ALNOIBBWBRBPNZ-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnc(C#N)nc2)c1Cl ZINC001191727949 1292625106 /nfs/dbraw/zinc/62/51/06/1292625106.db2.gz CPRLUVNDALXFRP-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)c1Cl ZINC001191731048 1292644392 /nfs/dbraw/zinc/64/43/92/1292644392.db2.gz KINVQSHONRAQFM-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)ccnc1C#N ZINC001191793371 1292665001 /nfs/dbraw/zinc/66/50/01/1292665001.db2.gz SPJSLOZBKAOVCI-UHFFFAOYSA-N -1 0 331.397 2.770 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(O)cccc1C#N ZINC001191828564 1292683041 /nfs/dbraw/zinc/68/30/41/1292683041.db2.gz POTYCGUHKNVXJA-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866594 1292699581 /nfs/dbraw/zinc/69/95/81/1292699581.db2.gz WRFPSFIPCOVEKE-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1Cl ZINC001192005493 1292746853 /nfs/dbraw/zinc/74/68/53/1292746853.db2.gz VIZQLNDLKNGFGF-UHFFFAOYSA-N -1 0 334.999 2.676 20 30 EFEDRM N#Cc1cc(F)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(F)c1 ZINC001192035018 1292755773 /nfs/dbraw/zinc/75/57/73/1292755773.db2.gz MQBAEDOPPAPXRX-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192040332 1292757653 /nfs/dbraw/zinc/75/76/53/1292757653.db2.gz HUCRGXQAELOROD-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM CC[C@@H]1CCCC[C@@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000796320201 1292915616 /nfs/dbraw/zinc/91/56/16/1292915616.db2.gz FLZFEGXEYMBNBA-RISCZKNCSA-N -1 0 328.372 2.566 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cnc1Cl ZINC001192534590 1292919006 /nfs/dbraw/zinc/91/90/06/1292919006.db2.gz WXVDGLSWDRJONE-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cnc1Cl ZINC001192576338 1292928728 /nfs/dbraw/zinc/92/87/28/1292928728.db2.gz KZYMUCGMNAGTTP-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2c(F)ccc(F)c2[O-])CC1 ZINC001192695272 1292993618 /nfs/dbraw/zinc/99/36/18/1292993618.db2.gz XAJJELCVOOOSAV-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192729300 1293001815 /nfs/dbraw/zinc/00/18/15/1293001815.db2.gz FXRBMMSZBQJMKV-UHFFFAOYSA-N -1 0 326.262 2.738 20 30 EFEDRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000129294126 1293038204 /nfs/dbraw/zinc/03/82/04/1293038204.db2.gz BFQGIYFXLQEVEG-KBPBESRZSA-N -1 0 346.433 2.537 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c1 ZINC001192819283 1293062683 /nfs/dbraw/zinc/06/26/83/1293062683.db2.gz YFEUEODQKBLBQY-UHFFFAOYSA-N -1 0 341.392 2.802 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1 ZINC001192821336 1293064234 /nfs/dbraw/zinc/06/42/34/1293064234.db2.gz NKCOVUNUMRXVFU-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2cc(F)c([O-])cc2F)c1 ZINC001192879530 1293102557 /nfs/dbraw/zinc/10/25/57/1293102557.db2.gz HIDMUYREHLOZEZ-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1c(Cl)nc(Cl)cc1C(F)(F)F ZINC001192934628 1293114830 /nfs/dbraw/zinc/11/48/30/1293114830.db2.gz AZBKULUHNUPCRA-UHFFFAOYSA-N -1 0 334.106 2.672 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)CC#N)c(C(=O)c2ccccc2)c1C ZINC001192939298 1293115569 /nfs/dbraw/zinc/11/55/69/1293115569.db2.gz MNENFHONHZLLLZ-UHFFFAOYSA-N -1 0 334.422 2.861 20 30 EFEDRM Cc1cccc(NC(=O)OC(C)(C)C)c1[N-]S(=O)(=O)CC#N ZINC001192982449 1293115739 /nfs/dbraw/zinc/11/57/39/1293115739.db2.gz QBPKMOPSNDRBFF-UHFFFAOYSA-N -1 0 325.390 2.607 20 30 EFEDRM CC(C)Oc1cc(Br)ccc1[N-]S(=O)(=O)CC#N ZINC001192985565 1293116905 /nfs/dbraw/zinc/11/69/05/1293116905.db2.gz HADLZQUHRXIHQE-UHFFFAOYSA-N -1 0 333.207 2.502 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(F)cc(Br)c1Cl ZINC001192986298 1293118001 /nfs/dbraw/zinc/11/80/01/1293118001.db2.gz WILUWPLZGIJVID-UHFFFAOYSA-N -1 0 327.562 2.507 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001192971879 1293129184 /nfs/dbraw/zinc/12/91/84/1293129184.db2.gz BGPQWMFFTZXKMW-UHFFFAOYSA-N -1 0 332.225 2.989 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2cccc(Br)c2c1 ZINC001193107228 1293171624 /nfs/dbraw/zinc/17/16/24/1293171624.db2.gz RKHDONJDMXIBDU-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)nc2ccccc12 ZINC001193107126 1293171937 /nfs/dbraw/zinc/17/19/37/1293171937.db2.gz ONBNIGIJWWWBDU-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001193107573 1293172793 /nfs/dbraw/zinc/17/27/93/1293172793.db2.gz XPERMUAOWZHUGI-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1F ZINC001193148759 1293186209 /nfs/dbraw/zinc/18/62/09/1293186209.db2.gz DOJHREBFBPVYRC-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM Cc1cccc(NC(=O)OC(C)(C)C)c1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193158332 1293188467 /nfs/dbraw/zinc/18/84/67/1293188467.db2.gz NYEXFSJGSQWJME-NSHDSACASA-N -1 0 339.417 2.996 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193169145 1293192834 /nfs/dbraw/zinc/19/28/34/1293192834.db2.gz VGQYAZIMZVJBBF-GMSGAONNSA-N -1 0 326.727 2.775 20 30 EFEDRM N#Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193279610 1293233790 /nfs/dbraw/zinc/23/37/90/1293233790.db2.gz IHTDJGINBWWYRC-VIFPVBQESA-N -1 0 335.212 2.786 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2csc(C#N)c2)c1 ZINC001193399438 1293288879 /nfs/dbraw/zinc/28/88/79/1293288879.db2.gz SVRBPUBEQKOBRJ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)ccc1[O-] ZINC001193493874 1293325965 /nfs/dbraw/zinc/32/59/65/1293325965.db2.gz GPENFKISBQJVBE-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM COc1ccccc1-n1nccc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193499427 1293327354 /nfs/dbraw/zinc/32/73/54/1293327354.db2.gz RCLKBLQEBHWKMN-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1cc(C(=O)N(Cc2c[nH]cn2)Cc2ccccc2)ccc1[O-] ZINC001193504180 1293335837 /nfs/dbraw/zinc/33/58/37/1293335837.db2.gz OIBAXKPUMWWGFX-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM N#Cc1cc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)ccc1[O-] ZINC001193514177 1293341741 /nfs/dbraw/zinc/34/17/41/1293341741.db2.gz CJXXLGIYEYFBDD-UHFFFAOYSA-N -1 0 331.331 2.668 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589160 1293354122 /nfs/dbraw/zinc/35/41/22/1293354122.db2.gz FILDDVXAUGJWNU-UHFFFAOYSA-N -1 0 340.726 2.818 20 30 EFEDRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(-c2ccc(C#N)cc2)cc1 ZINC001193549437 1293356279 /nfs/dbraw/zinc/35/62/79/1293356279.db2.gz GEZRZBCXNFACSV-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2nccnc2OCc2ccccc2)c1[O-] ZINC001193634898 1293377444 /nfs/dbraw/zinc/37/74/44/1293377444.db2.gz LHGODNWVKXPEKA-UHFFFAOYSA-N -1 0 346.346 2.885 20 30 EFEDRM Cc1cc(NC(=O)c2cccc(C#N)c2[O-])n(C(=O)OC(C)(C)C)n1 ZINC001193635146 1293377634 /nfs/dbraw/zinc/37/76/34/1293377634.db2.gz PCVDFUCSJLDQFY-UHFFFAOYSA-N -1 0 342.355 2.804 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC001193635963 1293377800 /nfs/dbraw/zinc/37/78/00/1293377800.db2.gz HXCXHNRZDVIYTJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCc1cc(C(=O)OC)c(NC(=O)c2cccc(C#N)c2[O-])s1 ZINC001193635417 1293378088 /nfs/dbraw/zinc/37/80/88/1293378088.db2.gz SXYASPBDNRJYKB-UHFFFAOYSA-N -1 0 330.365 2.927 20 30 EFEDRM C#CC(C#C)Oc1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC001233816460 1312998049 /nfs/dbraw/zinc/99/80/49/1312998049.db2.gz NBIVGPYDOYURBJ-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM Cc1ccc([C@]2(C)CN(C(=O)c3cccc(C#N)c3[O-])CCO2)cc1 ZINC001193646962 1293392136 /nfs/dbraw/zinc/39/21/36/1293392136.db2.gz RPNWMXUJKJWTFN-FQEVSTJZSA-N -1 0 336.391 2.960 20 30 EFEDRM COC(Cc1ccc(NC(=O)c2cccc(C#N)c2[O-])cc1)OC ZINC001193652304 1293395477 /nfs/dbraw/zinc/39/54/77/1293395477.db2.gz CXPKOXLZYWKSRS-UHFFFAOYSA-N -1 0 326.352 2.678 20 30 EFEDRM COCCOc1c(F)cccc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193652293 1293395645 /nfs/dbraw/zinc/39/56/45/1293395645.db2.gz CILYLUGCBZWSNP-UHFFFAOYSA-N -1 0 330.315 2.680 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncc(C(C)C)c2)c1 ZINC001193655499 1293397254 /nfs/dbraw/zinc/39/72/54/1293397254.db2.gz VAGSMQWJBRWIKM-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC001193655152 1293397348 /nfs/dbraw/zinc/39/73/48/1293397348.db2.gz IAQUVOJFDDSAPP-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM COc1cccc2c1SC[C@@H](NC(=O)c1cccc(C#N)c1[O-])C2 ZINC001193658892 1293398274 /nfs/dbraw/zinc/39/82/74/1293398274.db2.gz GCAZRJYTNHINOI-ZDUSSCGKSA-N -1 0 340.404 2.719 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)c2ccccc12 ZINC001193833750 1293456867 /nfs/dbraw/zinc/45/68/67/1293456867.db2.gz HFYKHUYWRAGKQJ-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194095454 1293529862 /nfs/dbraw/zinc/52/98/62/1293529862.db2.gz WJTYJZASTANXLJ-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194101209 1293532135 /nfs/dbraw/zinc/53/21/35/1293532135.db2.gz XECOEBVHNOEASN-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM N#Cc1cc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)ccc1O ZINC001194148876 1293536535 /nfs/dbraw/zinc/53/65/35/1293536535.db2.gz DEMAKLQKWJXQJV-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM C#CCCC1(CCNC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)N=N1 ZINC001194279750 1293564678 /nfs/dbraw/zinc/56/46/78/1293564678.db2.gz ZLLDSHUHPLWGOK-UHFFFAOYSA-N -1 0 337.383 2.582 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cs1 ZINC001194271905 1293576750 /nfs/dbraw/zinc/57/67/50/1293576750.db2.gz SPFOYPMIIXQYCZ-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM C=CCOC(=O)Nc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001194318770 1293584049 /nfs/dbraw/zinc/58/40/49/1293584049.db2.gz AEPDTKNBCJJSFF-UHFFFAOYSA-N -1 0 330.134 2.676 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194293683 1293591394 /nfs/dbraw/zinc/59/13/94/1293591394.db2.gz DQZJBYIEPORMLI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194458592 1293629693 /nfs/dbraw/zinc/62/96/93/1293629693.db2.gz KYAZIYFHKIRAHN-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1C#N ZINC001194539976 1293661163 /nfs/dbraw/zinc/66/11/63/1293661163.db2.gz QIVAMPULBURDGQ-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)s1 ZINC001194537560 1293661293 /nfs/dbraw/zinc/66/12/93/1293661293.db2.gz YLOSMLIMFQFFED-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194561582 1293668964 /nfs/dbraw/zinc/66/89/64/1293668964.db2.gz FREBOVOATLWCNX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C#CCOCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000132581039 1293681138 /nfs/dbraw/zinc/68/11/38/1293681138.db2.gz HUCAPAMMWQBCPL-UHFFFAOYSA-N -1 0 332.581 2.787 20 30 EFEDRM N#Cc1oc2ccccc2c1NC(=O)c1cn(-c2cnccn2)cn1 ZINC001194712444 1293703458 /nfs/dbraw/zinc/70/34/58/1293703458.db2.gz FOPQQBIAKFVCKT-UHFFFAOYSA-N -1 0 330.307 2.532 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194804611 1293719633 /nfs/dbraw/zinc/71/96/33/1293719633.db2.gz VOFIWLLYJNQWJN-UHFFFAOYSA-N -1 0 346.330 2.830 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194839208 1293726978 /nfs/dbraw/zinc/72/69/78/1293726978.db2.gz SHPHWWLKMBSWJD-UHFFFAOYSA-N -1 0 330.409 2.798 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194986256 1293768650 /nfs/dbraw/zinc/76/86/50/1293768650.db2.gz PQGNJAOJUIRWEB-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM C=CCN(C(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195224533 1293855517 /nfs/dbraw/zinc/85/55/17/1293855517.db2.gz CYSHWOMLXXJBDM-UHFFFAOYSA-N -1 0 333.356 2.638 20 30 EFEDRM C#CCCC1(CCNC(=O)c2c([O-])c(F)c(F)c(F)c2F)N=N1 ZINC001195312803 1293889953 /nfs/dbraw/zinc/88/99/53/1293889953.db2.gz VBRMZBBNVVAXSA-UHFFFAOYSA-N -1 0 329.253 2.644 20 30 EFEDRM N#CC1(CCCOC(=O)c2cc(F)c([O-])c(F)c2)CCOCC1 ZINC000800177601 1293943377 /nfs/dbraw/zinc/94/33/77/1293943377.db2.gz LADNQNPCNJZOPN-UHFFFAOYSA-N -1 0 325.311 2.928 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000102115026 1293998976 /nfs/dbraw/zinc/99/89/76/1293998976.db2.gz WGGXPKHWWIIPQX-CYBMUJFWSA-N -1 0 334.441 2.970 20 30 EFEDRM COc1ccc(-c2ccccn2)nc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195733730 1294004550 /nfs/dbraw/zinc/00/45/50/1294004550.db2.gz VPPMIXHBIGDYLR-UHFFFAOYSA-N -1 0 346.346 2.982 20 30 EFEDRM Cc1nc(Br)ccc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195733570 1294004833 /nfs/dbraw/zinc/00/48/33/1294004833.db2.gz RCVIREUHZNJCQU-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C#N)cc3[O-])CC2)c1 ZINC001195733127 1294004971 /nfs/dbraw/zinc/00/49/71/1294004971.db2.gz AAAHRRUSVVHOCI-UHFFFAOYSA-N -1 0 335.407 2.843 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)cn1 ZINC001195722634 1294012386 /nfs/dbraw/zinc/01/23/86/1294012386.db2.gz DFEWKKWCCOLZAK-UHFFFAOYSA-N -1 0 331.397 2.692 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccccc2CN2CCCC2=O)c([O-])c1 ZINC001195758722 1294014681 /nfs/dbraw/zinc/01/46/81/1294014681.db2.gz QPKWAWXJQYGQPB-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM COC(=O)[C@@H]1CCc2cc(NC(=O)c3ccc(C#N)cc3[O-])ccc21 ZINC001195758142 1294014840 /nfs/dbraw/zinc/01/48/40/1294014840.db2.gz JWTROXKRRSGHBF-OAHLLOKOSA-N -1 0 336.347 2.719 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)c([O-])c1 ZINC001195750727 1294029161 /nfs/dbraw/zinc/02/91/61/1294029161.db2.gz KAKYXRZBOYOPPD-CYBMUJFWSA-N -1 0 336.273 2.761 20 30 EFEDRM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1ccc(C#N)cc1[O-] ZINC001195750722 1294029331 /nfs/dbraw/zinc/02/93/31/1294029331.db2.gz JRMCVFXONWNNML-UHFFFAOYSA-N -1 0 332.363 2.722 20 30 EFEDRM C[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196110533 1294122410 /nfs/dbraw/zinc/12/24/10/1294122410.db2.gz NVKAJWDNVXVQAS-LBPRGKRZSA-N -1 0 344.392 2.632 20 30 EFEDRM C=CCN(C)S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196085571 1294128689 /nfs/dbraw/zinc/12/86/89/1294128689.db2.gz ARIRZLVUTNBFFS-UHFFFAOYSA-N -1 0 331.393 2.858 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC001196118846 1294146552 /nfs/dbraw/zinc/14/65/52/1294146552.db2.gz YROFAMDHBIPMJU-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245534 1294183923 /nfs/dbraw/zinc/18/39/23/1294183923.db2.gz BTJKAYYJHDXRJN-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196382176 1294218160 /nfs/dbraw/zinc/21/81/60/1294218160.db2.gz FDFYGCPRGXHDNP-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000121458354 1294306577 /nfs/dbraw/zinc/30/65/77/1294306577.db2.gz ITHXZYOPUYMBNQ-HNNXBMFYSA-N -1 0 336.819 2.902 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1O ZINC001196639959 1294314603 /nfs/dbraw/zinc/31/46/03/1294314603.db2.gz XTTHLNTYOBIPNP-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1c(CO)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680559 1294315949 /nfs/dbraw/zinc/31/59/49/1294315949.db2.gz QSOJOGTTXZEJJI-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM CC(=O)c1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648007 1294318361 /nfs/dbraw/zinc/31/83/61/1294318361.db2.gz OINWMCCVKSWYIR-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196650162 1294319622 /nfs/dbraw/zinc/31/96/22/1294319622.db2.gz HEZQVVLWURPJHZ-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)c1 ZINC001196650172 1294319758 /nfs/dbraw/zinc/31/97/58/1294319758.db2.gz HMUDLSFYWGIOMM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn2ccccc12 ZINC001196651713 1294320592 /nfs/dbraw/zinc/32/05/92/1294320592.db2.gz JYSLVBDTHANTMD-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1cc(F)nc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196652332 1294320855 /nfs/dbraw/zinc/32/08/55/1294320855.db2.gz VVKAPODMEVNBHM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ncc1C ZINC001196652016 1294321111 /nfs/dbraw/zinc/32/11/11/1294321111.db2.gz OYWNQCTYYSZBAH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c1 ZINC001196720741 1294342308 /nfs/dbraw/zinc/34/23/08/1294342308.db2.gz OUPFXPZPBIWPGW-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC(C)(C)c1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000903691143 1313074360 /nfs/dbraw/zinc/07/43/60/1313074360.db2.gz IDQKJNOLVUIHPM-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C#N ZINC001196992045 1294430826 /nfs/dbraw/zinc/43/08/26/1294430826.db2.gz ZYQHQNYJLLWGER-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1 ZINC001197040076 1294438118 /nfs/dbraw/zinc/43/81/18/1294438118.db2.gz PCMWAGXTRUHGFF-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CC(C)(C)c1ccnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000903691485 1313075196 /nfs/dbraw/zinc/07/51/96/1313075196.db2.gz XMQAWCZFXAWLNX-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC001197031609 1294445687 /nfs/dbraw/zinc/44/56/87/1294445687.db2.gz UDVNDXKEYCXEAV-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2sccc2C#N)c1 ZINC001197071780 1294452546 /nfs/dbraw/zinc/45/25/46/1294452546.db2.gz OYKIJQZWCYNRHW-AATRIKPKSA-N -1 0 348.405 2.607 20 30 EFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccsc2C#N)c1 ZINC001197074149 1294453213 /nfs/dbraw/zinc/45/32/13/1294453213.db2.gz AAHFYDAYJCHCCL-AATRIKPKSA-N -1 0 348.405 2.607 20 30 EFEDRM Cc1nc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C#N)cc1C#N ZINC001197076142 1294454314 /nfs/dbraw/zinc/45/43/14/1294454314.db2.gz AGIWAFYJMQUIOS-UHFFFAOYSA-N -1 0 337.364 2.640 20 30 EFEDRM Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC001251115530 1294457479 /nfs/dbraw/zinc/45/74/79/1294457479.db2.gz GAFQXNJLPLNVKU-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Br ZINC001197271335 1294494202 /nfs/dbraw/zinc/49/42/02/1294494202.db2.gz JODCRYGAVRDOGL-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCC(=O)OC)c1 ZINC001197365051 1294513986 /nfs/dbraw/zinc/51/39/86/1294513986.db2.gz HISNKSYQVUDPOZ-UHFFFAOYSA-N -1 0 335.400 2.838 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1 ZINC001197382563 1294522531 /nfs/dbraw/zinc/52/25/31/1294522531.db2.gz HECJZGFMQPFJKW-UHFFFAOYSA-N -1 0 341.392 2.689 20 30 EFEDRM O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136508528 1294646609 /nfs/dbraw/zinc/64/66/09/1294646609.db2.gz FOBVKQJIJBOWSC-DAFODLJHSA-N -1 0 327.292 2.968 20 30 EFEDRM CN(C)C(=O)c1cccc(NC(=S)Nc2cccc(C#N)c2)c1[O-] ZINC001197718442 1294662159 /nfs/dbraw/zinc/66/21/59/1294662159.db2.gz LLNGHSQRHGBNFM-UHFFFAOYSA-N -1 0 340.408 2.775 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc2ncccc2c1 ZINC000136568223 1294678017 /nfs/dbraw/zinc/67/80/17/1294678017.db2.gz LTKWGZRGGZWPGW-KRWDZBQOSA-N -1 0 329.359 2.874 20 30 EFEDRM COC(=O)c1ccc(O)cc1NC(=S)Nc1cccc(C#N)c1 ZINC001197722820 1294693227 /nfs/dbraw/zinc/69/32/27/1294693227.db2.gz HLNIIKLIALIUOW-UHFFFAOYSA-N -1 0 327.365 2.859 20 30 EFEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)c1 ZINC001198004546 1294826873 /nfs/dbraw/zinc/82/68/73/1294826873.db2.gz LVQVRMUQWBPIRH-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(C#N)c1C ZINC001198111628 1294899392 /nfs/dbraw/zinc/89/93/92/1294899392.db2.gz IRLNCOHLPJUKOG-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C=C[C@@H](CCCCC)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC ZINC001234353260 1313111827 /nfs/dbraw/zinc/11/18/27/1313111827.db2.gz WBUMMEDAFNFICN-JTQLQIEISA-N -1 0 325.361 2.807 20 30 EFEDRM C=C[C@@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)c1ccccc1 ZINC001234356211 1313112643 /nfs/dbraw/zinc/11/26/43/1313112643.db2.gz ZLBOUQIAUJUTBA-LLVKDONJSA-N -1 0 331.324 2.600 20 30 EFEDRM C[C@](O)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000304121217 1294927325 /nfs/dbraw/zinc/92/73/25/1294927325.db2.gz QUEQMACBSAXLRZ-SNTNMBAUSA-N -1 0 336.294 2.905 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000886402358 1294935541 /nfs/dbraw/zinc/93/55/41/1294935541.db2.gz GDKFAGBRFNNTDR-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2c(C#N)ccc3ccccc32)n1C ZINC001198392603 1295047421 /nfs/dbraw/zinc/04/74/21/1295047421.db2.gz VYEKLNCRCAUHMO-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(F)cccc1C#N ZINC001198690833 1295178870 /nfs/dbraw/zinc/17/88/70/1295178870.db2.gz SHBPCMGSSINSLP-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC001198701840 1295187185 /nfs/dbraw/zinc/18/71/85/1295187185.db2.gz OKWDIXSXRAPSLH-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198826558 1295252471 /nfs/dbraw/zinc/25/24/71/1295252471.db2.gz OALRBOBNOBDJJV-UHFFFAOYSA-N -1 0 330.369 2.883 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2C#N)c(C)c1 ZINC001198943960 1295378354 /nfs/dbraw/zinc/37/83/54/1295378354.db2.gz VCZLZIXXSYYEHH-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=C1O[C@@H](C)C(=O)C1Oc1[n-]c2sccc2c(=O)c1C(=O)OCC ZINC001234596321 1313165258 /nfs/dbraw/zinc/16/52/58/1313165258.db2.gz AGGCOUGRLIYSFW-ZETCQYMHSA-N -1 0 349.364 2.777 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nccc(OC2CCC2)n1 ZINC001199635636 1295643266 /nfs/dbraw/zinc/64/32/66/1295643266.db2.gz MIJGNGJQZRQXHR-UHFFFAOYSA-N -1 0 330.294 2.810 20 30 EFEDRM CC(C)Oc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])cnc1F ZINC001199721466 1295705757 /nfs/dbraw/zinc/70/57/57/1295705757.db2.gz ODMPYUYQHVMSGZ-UHFFFAOYSA-N -1 0 333.294 2.977 20 30 EFEDRM C=CCSc1ncccc1C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001199735376 1295739254 /nfs/dbraw/zinc/73/92/54/1295739254.db2.gz ANGRMHNUCZYGCV-UHFFFAOYSA-N -1 0 332.385 2.512 20 30 EFEDRM CCOC(=O)c1c(C)oc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C#N ZINC001199818825 1295741167 /nfs/dbraw/zinc/74/11/67/1295741167.db2.gz FKPCWDQFJSFNGE-UHFFFAOYSA-N -1 0 331.284 2.994 20 30 EFEDRM COCOc1ccccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204657025 1313178270 /nfs/dbraw/zinc/17/82/70/1313178270.db2.gz ZCQOGWNVAHGMGL-UHFFFAOYSA-N -1 0 325.344 2.921 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234821526 1313194857 /nfs/dbraw/zinc/19/48/57/1313194857.db2.gz GLVUAWIWXULCIT-DZGCQCFKSA-N -1 0 331.372 2.633 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3sccc3[nH]2)C[C@H]1C#N ZINC001234846848 1313198150 /nfs/dbraw/zinc/19/81/50/1313198150.db2.gz DCSQYKYDNKXLTE-VHSXEESVSA-N -1 0 334.401 2.905 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000776069547 1296072773 /nfs/dbraw/zinc/07/27/73/1296072773.db2.gz KGQWPTDNTFLXCW-UHFFFAOYSA-N -1 0 339.457 2.871 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000776095582 1296282174 /nfs/dbraw/zinc/28/21/74/1296282174.db2.gz YRPNXLJLZLJJKN-GFCCVEGCSA-N -1 0 347.367 2.805 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000776123088 1296496812 /nfs/dbraw/zinc/49/68/12/1296496812.db2.gz WYBKMJLJZOPEPL-UHFFFAOYSA-N -1 0 342.829 2.918 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Br)c(Cl)c1 ZINC000121564491 1296628383 /nfs/dbraw/zinc/62/83/83/1296628383.db2.gz WLJUOYFGABHFFH-VIFPVBQESA-N -1 0 341.592 2.704 20 30 EFEDRM CC(C)Sc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc1 ZINC000776142209 1296648745 /nfs/dbraw/zinc/64/87/45/1296648745.db2.gz APUUXDABALGOKO-UHFFFAOYSA-N -1 0 340.470 2.796 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000776145544 1296650950 /nfs/dbraw/zinc/65/09/50/1296650950.db2.gz CHUPDDALLUKTCK-YRNVUSSQSA-N -1 0 340.832 2.739 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000776143603 1296651692 /nfs/dbraw/zinc/65/16/92/1296651692.db2.gz IPYFJNMYTMEQBW-HZSPNIEDSA-N -1 0 326.462 2.589 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1occc1-c1ccccc1 ZINC000776140613 1296669113 /nfs/dbraw/zinc/66/91/13/1296669113.db2.gz CVBYWZHKDSZCMW-UHFFFAOYSA-N -1 0 332.381 2.556 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1C#N ZINC001201292312 1296684247 /nfs/dbraw/zinc/68/42/47/1296684247.db2.gz DJFWPLHCNQRNEL-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201293136 1296699220 /nfs/dbraw/zinc/69/92/20/1296699220.db2.gz QJAKPKSOJVLMEG-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294677 1296708557 /nfs/dbraw/zinc/70/85/57/1296708557.db2.gz CQXCNSKZKMJPGV-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)cc1C#N ZINC001201295093 1296708702 /nfs/dbraw/zinc/70/87/02/1296708702.db2.gz MCSOGOVUZTVPRO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C)cc1C#N ZINC001201295737 1296710770 /nfs/dbraw/zinc/71/07/70/1296710770.db2.gz YGECLGTVRASFKP-UHFFFAOYSA-N -1 0 332.429 2.699 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201316975 1296723471 /nfs/dbraw/zinc/72/34/71/1296723471.db2.gz KIHLNJXNMJEANZ-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317494 1296723750 /nfs/dbraw/zinc/72/37/50/1296723750.db2.gz SYTVSPAIDVNPNO-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201320271 1296725698 /nfs/dbraw/zinc/72/56/98/1296725698.db2.gz UUWYGXJNZRFYTC-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2sc(Cl)nc2C)c1 ZINC001201760979 1297059156 /nfs/dbraw/zinc/05/91/56/1297059156.db2.gz YIYLRQOQSGLCEV-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM N#Cc1ccnc(N2CCC(OCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001205689082 1313338833 /nfs/dbraw/zinc/33/88/33/1313338833.db2.gz FIRKSNSHDNZTRC-UHFFFAOYSA-N -1 0 337.379 2.837 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ncc(C#N)cc1Cl ZINC001201732004 1297072104 /nfs/dbraw/zinc/07/21/04/1297072104.db2.gz OEWQNASZGGNRER-UHFFFAOYSA-N -1 0 349.224 2.826 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-][C@H](CO)C(F)(F)F ZINC001201837582 1297121987 /nfs/dbraw/zinc/12/19/87/1297121987.db2.gz ZWZGAXQEGLNTDH-GFCCVEGCSA-N -1 0 333.416 2.970 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2nc(C(C)C)oc2C)n1 ZINC000803911856 1313352789 /nfs/dbraw/zinc/35/27/89/1313352789.db2.gz YNASEWHVAHCCDQ-LLVKDONJSA-N -1 0 347.396 2.905 20 30 EFEDRM Cc1ccc(C#N)c(N[C@@H](CNC(=O)c2ccccc2O)C2CC2)n1 ZINC001096581738 1313407264 /nfs/dbraw/zinc/40/72/64/1313407264.db2.gz OKOLLDPISJMXHS-INIZCTEOSA-N -1 0 336.395 2.588 20 30 EFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000778597353 1297695279 /nfs/dbraw/zinc/69/52/79/1297695279.db2.gz YXPQNXRAOOXEJX-INIZCTEOSA-N -1 0 333.384 2.991 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000042290505 1297696791 /nfs/dbraw/zinc/69/67/91/1297696791.db2.gz LITPZYFGMZNEMH-UHFFFAOYSA-N -1 0 332.740 2.777 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)cc1 ZINC000042290710 1297697141 /nfs/dbraw/zinc/69/71/41/1297697141.db2.gz MQAYBWYHBPQUCI-UHFFFAOYSA-N -1 0 345.380 2.776 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000042290099 1297697508 /nfs/dbraw/zinc/69/75/08/1297697508.db2.gz KINDKYAEWNBRJR-UHFFFAOYSA-N -1 0 346.311 2.586 20 30 EFEDRM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000042304171 1297698123 /nfs/dbraw/zinc/69/81/23/1297698123.db2.gz OCEUIVJWEKSJAO-UHFFFAOYSA-N -1 0 344.392 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(F)cc2)cc1 ZINC000042303427 1297698353 /nfs/dbraw/zinc/69/83/53/1297698353.db2.gz AJSGEXKHEUITNZ-UHFFFAOYSA-N -1 0 332.356 2.975 20 30 EFEDRM CCNC(=O)C(C)(C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000157191303 1297725283 /nfs/dbraw/zinc/72/52/83/1297725283.db2.gz LEFNYKSRZPCIBS-FRKPEAEDSA-N -1 0 327.768 2.535 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1csc(C(=O)[O-])c1 ZINC001206265730 1313428289 /nfs/dbraw/zinc/42/82/89/1313428289.db2.gz OXKWNJOYOSVBHT-SNVBAGLBSA-N -1 0 345.380 2.852 20 30 EFEDRM N#CC(=C([O-])C=Cc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391309 1297785496 /nfs/dbraw/zinc/78/54/96/1297785496.db2.gz XYQKXPISMFFTRY-VFNNOXKTSA-N -1 0 346.350 2.680 20 30 EFEDRM N#CC(=C([O-])C=Cc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391313 1297785581 /nfs/dbraw/zinc/78/55/81/1297785581.db2.gz XYQKXPISMFFTRY-MYSGNRETSA-N -1 0 346.350 2.680 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)C(C)C)cc1 ZINC000193379938 1298433086 /nfs/dbraw/zinc/43/30/86/1298433086.db2.gz YXPPSCDFRRLTSC-INIZCTEOSA-N -1 0 343.427 2.910 20 30 EFEDRM COCCS(=O)(=O)[N-]C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000084849496 1298857835 /nfs/dbraw/zinc/85/78/35/1298857835.db2.gz UQQFBVHGLZCHJB-UHFFFAOYSA-N -1 0 333.837 2.841 20 30 EFEDRM O=C(Cc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)C1CCCC1 ZINC000086055002 1299256256 /nfs/dbraw/zinc/25/62/56/1299256256.db2.gz BQIHEFLDLJNUBK-UHFFFAOYSA-N -1 0 333.413 2.644 20 30 EFEDRM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001252367593 1299359706 /nfs/dbraw/zinc/35/97/06/1299359706.db2.gz INPRVXYDMKKHPG-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC000776596422 1299712942 /nfs/dbraw/zinc/71/29/42/1299712942.db2.gz FOXDVKDTDSGBQY-ZDUSSCGKSA-N -1 0 325.430 2.682 20 30 EFEDRM CCCn1nccc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000853002192 1299965360 /nfs/dbraw/zinc/96/53/60/1299965360.db2.gz IMNIIWHYBVOAED-AATRIKPKSA-N -1 0 328.368 2.825 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001237524315 1313660865 /nfs/dbraw/zinc/66/08/65/1313660865.db2.gz ZREOOPFKOIVHNK-UHFFFAOYSA-N -1 0 346.214 2.534 20 30 EFEDRM Cc1cc(C)cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000853115083 1300013963 /nfs/dbraw/zinc/01/39/63/1300013963.db2.gz DKTSZYLLWWPQSE-UHFFFAOYSA-N -1 0 348.468 2.766 20 30 EFEDRM C#CCOc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000776650051 1300068890 /nfs/dbraw/zinc/06/88/90/1300068890.db2.gz RDPMEIPAVZZSKU-UHFFFAOYSA-N -1 0 345.358 2.905 20 30 EFEDRM CCCCCC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000776691199 1300249751 /nfs/dbraw/zinc/24/97/51/1300249751.db2.gz DZTDJOWKKYAOFC-OAHLLOKOSA-N -1 0 338.429 2.602 20 30 EFEDRM CCCCCC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N ZINC000776695075 1300305351 /nfs/dbraw/zinc/30/53/51/1300305351.db2.gz YNGVQNFVITVZOJ-AWEZNQCLSA-N -1 0 338.429 2.602 20 30 EFEDRM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000795276615 1300584450 /nfs/dbraw/zinc/58/44/50/1300584450.db2.gz RHNXVYNJYYQOMB-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)[N-]Oc1ccccc1 ZINC000854535533 1300614567 /nfs/dbraw/zinc/61/45/67/1300614567.db2.gz ARQQJRJZXWJYBE-AWEZNQCLSA-N -1 0 333.388 2.684 20 30 EFEDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1cccs1 ZINC000088799660 1300630175 /nfs/dbraw/zinc/63/01/75/1300630175.db2.gz CLBBCIFIDMHLCG-UHFFFAOYSA-N -1 0 340.382 2.934 20 30 EFEDRM O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1cccs1 ZINC000088799663 1300630801 /nfs/dbraw/zinc/63/08/01/1300630801.db2.gz FAHNDUZEJLAWQX-UHFFFAOYSA-N -1 0 328.440 2.971 20 30 EFEDRM O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000088800662 1300631879 /nfs/dbraw/zinc/63/18/79/1300631879.db2.gz AQECVJKFPLOIQI-UHFFFAOYSA-N -1 0 329.299 2.992 20 30 EFEDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000088810033 1300641014 /nfs/dbraw/zinc/64/10/14/1300641014.db2.gz LSCWJXOWNAURCY-ZDUSSCGKSA-N -1 0 334.397 2.839 20 30 EFEDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000088809172 1300641108 /nfs/dbraw/zinc/64/11/08/1300641108.db2.gz VKPJGOCNJRLUPN-AWEZNQCLSA-N -1 0 338.429 2.600 20 30 EFEDRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCCCC1=O ZINC000088818506 1300641987 /nfs/dbraw/zinc/64/19/87/1300641987.db2.gz FIQZLUNUFZXJFQ-AWEZNQCLSA-N -1 0 344.477 2.643 20 30 EFEDRM C=CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F ZINC000854853122 1300712973 /nfs/dbraw/zinc/71/29/73/1300712973.db2.gz XOOCKTKSWMMVFQ-CYBMUJFWSA-N -1 0 342.342 2.764 20 30 EFEDRM COc1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)ccc2c1 ZINC000795365539 1300849729 /nfs/dbraw/zinc/84/97/29/1300849729.db2.gz GSEGJRSCVRIKNV-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000855440372 1300957001 /nfs/dbraw/zinc/95/70/01/1300957001.db2.gz IMGQDXZSOUPIHT-GFCCVEGCSA-N -1 0 343.452 2.651 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cccc(-c2ccoc2)c1 ZINC000089967598 1300961172 /nfs/dbraw/zinc/96/11/72/1300961172.db2.gz HZGPKWZAOYXNJD-UHFFFAOYSA-N -1 0 334.397 2.982 20 30 EFEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2cccnc2)c1C1CC1 ZINC000089964193 1300961295 /nfs/dbraw/zinc/96/12/95/1300961295.db2.gz JTCKBGZJAHXBCF-NSHDSACASA-N -1 0 348.428 2.820 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000089971928 1300962305 /nfs/dbraw/zinc/96/23/05/1300962305.db2.gz VWTMAAPNOYZOLI-OAHLLOKOSA-N -1 0 342.436 2.877 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC(C)(C)F)cc2[n-]c1=S ZINC000855746462 1301092383 /nfs/dbraw/zinc/09/23/83/1301092383.db2.gz CXQHSGQFWTUFCS-UHFFFAOYSA-N -1 0 349.431 2.739 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1coc2ccccc12 ZINC000113651814 1301106738 /nfs/dbraw/zinc/10/67/38/1301106738.db2.gz GGOCZUQGSPOJIC-AWEZNQCLSA-N -1 0 328.368 2.687 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(OCc2cccnc2)c1 ZINC000113651644 1301106942 /nfs/dbraw/zinc/10/69/42/1301106942.db2.gz GIDVYGUCXKGOIQ-SFHVURJKSA-N -1 0 349.390 2.605 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000856028948 1301211023 /nfs/dbraw/zinc/21/10/23/1301211023.db2.gz SVYSSPSFPXINOL-LLVKDONJSA-N -1 0 326.393 2.510 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000856034694 1301212784 /nfs/dbraw/zinc/21/27/84/1301212784.db2.gz JXADVUAGORZKBI-NSHDSACASA-N -1 0 334.363 2.503 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000856032612 1301212285 /nfs/dbraw/zinc/21/22/85/1301212285.db2.gz NWLBMTQCGPMUTR-ZDUSSCGKSA-N -1 0 332.429 2.592 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117082632 1301658183 /nfs/dbraw/zinc/65/81/83/1301658183.db2.gz SPUIQSSYFMBSOB-QGZVFWFLSA-N -1 0 338.411 2.891 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2)oc1C ZINC000860461276 1301813576 /nfs/dbraw/zinc/81/35/76/1301813576.db2.gz HOFJPKHBGYWSHW-MRXNPFEDSA-N -1 0 340.379 2.730 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)cn1 ZINC000860655548 1301871740 /nfs/dbraw/zinc/87/17/40/1301871740.db2.gz QKNSQTLZILFVPT-LBPRGKRZSA-N -1 0 339.355 2.709 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1)c1ccccc1 ZINC000860693060 1301888048 /nfs/dbraw/zinc/88/80/48/1301888048.db2.gz CLLSYITVMQQGQM-DLBZAZTESA-N -1 0 336.395 2.808 20 30 EFEDRM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1cnc3ccccc3n1)OC2=O ZINC000860702455 1301892571 /nfs/dbraw/zinc/89/25/71/1301892571.db2.gz QRWYFZGZZFDIOW-OCCQLPPTSA-N -1 0 349.390 2.928 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000117741005 1301927712 /nfs/dbraw/zinc/92/77/12/1301927712.db2.gz MXHOYCZAUZLWMV-UHFFFAOYSA-N -1 0 328.397 2.526 20 30 EFEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861012425 1301989252 /nfs/dbraw/zinc/98/92/52/1301989252.db2.gz AMGSYUWCCMAWQN-CYBMUJFWSA-N -1 0 340.420 2.860 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000118322200 1302153585 /nfs/dbraw/zinc/15/35/85/1302153585.db2.gz UBFYDUMZEUTBQO-UHFFFAOYSA-N -1 0 332.363 2.792 20 30 EFEDRM C=CCCCCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000861755795 1302202761 /nfs/dbraw/zinc/20/27/61/1302202761.db2.gz QBEQDUAFOANXTM-UHFFFAOYSA-N -1 0 339.461 2.710 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCCCCCC(C)=O)cc1C#N ZINC000862073149 1302276209 /nfs/dbraw/zinc/27/62/09/1302276209.db2.gz HPVZCMHRYUNFOL-UHFFFAOYSA-N -1 0 335.429 2.650 20 30 EFEDRM CCCCCCCNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000862359549 1302346729 /nfs/dbraw/zinc/34/67/29/1302346729.db2.gz NJYMJKZGYIISSZ-UHFFFAOYSA-N -1 0 343.431 2.577 20 30 EFEDRM Cc1nnc(NN=C2CCCc3cc(Br)ccc32)[n-]c1=O ZINC000794474774 1302513231 /nfs/dbraw/zinc/51/32/31/1302513231.db2.gz UAJZAMHTMVOAAQ-UHFFFAOYSA-N -1 0 348.204 2.801 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CC[C@@H]3C)cc2[n-]c1=S ZINC000119314913 1302545619 /nfs/dbraw/zinc/54/56/19/1302545619.db2.gz WBZKSZCLXCVVTQ-TXEJJXNPSA-N -1 0 343.452 2.884 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1CC ZINC000864447480 1302940679 /nfs/dbraw/zinc/94/06/79/1302940679.db2.gz GQRHBMBRARIXDM-HNNXBMFYSA-N -1 0 325.430 2.650 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000794723183 1303024986 /nfs/dbraw/zinc/02/49/86/1303024986.db2.gz BHGPEUZUDIJVEQ-DAXSKMNVSA-N -1 0 346.360 2.894 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccnc(F)c2)ccc1OCC(=O)[O-] ZINC000794722148 1303041075 /nfs/dbraw/zinc/04/10/75/1303041075.db2.gz OUEKCGNLKAFTLJ-RQOWECAXSA-N -1 0 331.299 2.589 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1cnc(C#N)c(F)c1 ZINC001238996627 1313890972 /nfs/dbraw/zinc/89/09/72/1313890972.db2.gz XOLDGBRGUPXIJW-UHFFFAOYSA-N -1 0 345.359 2.597 20 30 EFEDRM O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1ccc(Cl)cc1[O-] ZINC000865226292 1303195569 /nfs/dbraw/zinc/19/55/69/1303195569.db2.gz RYBMZWDSPSZSIO-DIECRNLCSA-N -1 0 333.775 2.712 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120584690 1303280390 /nfs/dbraw/zinc/28/03/90/1303280390.db2.gz ZPVDFZNTLKPGGO-UHFFFAOYSA-N -1 0 346.380 2.899 20 30 EFEDRM COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410906 1313911972 /nfs/dbraw/zinc/91/19/72/1313911972.db2.gz UAIFKDPWFPCTNO-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM Cc1nn(C)c2nc(C)c(CC(=O)Nc3cc(C#N)ccc3[O-])c(C)c12 ZINC000748411512 1313912762 /nfs/dbraw/zinc/91/27/62/1313912762.db2.gz PNCOUWGKJDBKSF-UHFFFAOYSA-N -1 0 349.394 2.652 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(C(=O)[O-])cc2F)c1C#N ZINC001239245125 1313919208 /nfs/dbraw/zinc/91/92/08/1313919208.db2.gz KHPIJWHRBRMAJA-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COC(OC)c1c(C#N)ccnc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239336192 1313926503 /nfs/dbraw/zinc/92/65/03/1313926503.db2.gz BIHRZPBIYUQGNN-UHFFFAOYSA-N -1 0 334.278 2.888 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000794938490 1303705743 /nfs/dbraw/zinc/70/57/43/1303705743.db2.gz PUUQFYDQAKQQRY-XVNBXDOJSA-N -1 0 337.331 2.541 20 30 EFEDRM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794946488 1303763752 /nfs/dbraw/zinc/76/37/52/1303763752.db2.gz ORMGKVSOXNNWDI-RJRFIUFISA-N -1 0 340.291 2.527 20 30 EFEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794946106 1303771182 /nfs/dbraw/zinc/77/11/82/1303771182.db2.gz NKRIXCNYXXJBAX-GQCTYLIASA-N -1 0 348.336 2.830 20 30 EFEDRM Cn1cc2c(n1)CC/C(=C/c1ccc(OC(F)(F)C(=O)[O-])cc1)C2=O ZINC000794964621 1303858035 /nfs/dbraw/zinc/85/80/35/1303858035.db2.gz GIDVTHMOXJFPKH-FLIBITNWSA-N -1 0 348.305 2.689 20 30 EFEDRM CS(=O)(=O)c1cncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1 ZINC001239708276 1313957529 /nfs/dbraw/zinc/95/75/29/1313957529.db2.gz SKOWLXKWVMYRTF-KPSZGOFPSA-N -1 0 344.314 2.979 20 30 EFEDRM COc1cc(CN=Nc2cccc(F)n2)ccc1OCCC(=O)[O-] ZINC000795009250 1304247172 /nfs/dbraw/zinc/24/71/72/1304247172.db2.gz YHOFOWDUZZPSJC-UHFFFAOYSA-N -1 0 333.319 2.529 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1 ZINC000122343249 1304530547 /nfs/dbraw/zinc/53/05/47/1304530547.db2.gz IXRXMNRODKFWBX-UHFFFAOYSA-N -1 0 348.355 2.731 20 30 EFEDRM NS(=O)(=O)c1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1 ZINC001240159948 1313997455 /nfs/dbraw/zinc/99/74/55/1313997455.db2.gz NLYDVUCXUUYUEV-UFWORHAWSA-N -1 0 344.314 2.828 20 30 EFEDRM NS(=O)(=O)c1cccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1 ZINC001240164973 1313998197 /nfs/dbraw/zinc/99/81/97/1313998197.db2.gz QIKXDJUVGKGBRM-UFWORHAWSA-N -1 0 344.314 2.828 20 30 EFEDRM CC(C)=CCOc1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000122502344 1304689474 /nfs/dbraw/zinc/68/94/74/1304689474.db2.gz RBSIHIQNRFLNFG-INIZCTEOSA-N -1 0 337.379 2.970 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1ccccc1Cl ZINC000122526072 1304728654 /nfs/dbraw/zinc/72/86/54/1304728654.db2.gz QGQODKIDBMMVOJ-LBPRGKRZSA-N -1 0 345.786 2.824 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122695276 1304897768 /nfs/dbraw/zinc/89/77/68/1304897768.db2.gz FLTUFZRTZUGLHP-WCQYABFASA-N -1 0 345.786 2.741 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1ccc(Cl)cc1 ZINC000122793004 1304987835 /nfs/dbraw/zinc/98/78/35/1304987835.db2.gz ZDPASHDPDHVQRP-AWEZNQCLSA-N -1 0 345.786 2.824 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000122812748 1305016246 /nfs/dbraw/zinc/01/62/46/1305016246.db2.gz VSDVTUKIFMSQCT-OAHLLOKOSA-N -1 0 346.390 2.986 20 30 EFEDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122868678 1305062325 /nfs/dbraw/zinc/06/23/25/1305062325.db2.gz GYNNFSIWFBUCKF-NEPJUHHUSA-N -1 0 345.786 2.741 20 30 EFEDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122868235 1305062408 /nfs/dbraw/zinc/06/24/08/1305062408.db2.gz GYNNFSIWFBUCKF-VXGBXAGGSA-N -1 0 345.786 2.741 20 30 EFEDRM CC(C)c1ccc(OCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122873320 1305064247 /nfs/dbraw/zinc/06/42/47/1305064247.db2.gz WWKXHVOBUANFMS-OAHLLOKOSA-N -1 0 325.368 2.514 20 30 EFEDRM CC(C)c1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122877634 1305066155 /nfs/dbraw/zinc/06/61/55/1305066155.db2.gz FCFPDCWZHVEBHO-CZUORRHYSA-N -1 0 339.395 2.903 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122881748 1305086305 /nfs/dbraw/zinc/08/63/05/1305086305.db2.gz BMVTZYGNHQYYET-SNVBAGLBSA-N -1 0 340.364 2.650 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2ccccc2)cn1 ZINC000870133304 1305158985 /nfs/dbraw/zinc/15/89/85/1305158985.db2.gz SRXVSRFMIPDXKL-KRWDZBQOSA-N -1 0 349.390 2.605 20 30 EFEDRM CCCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)s1 ZINC000870134891 1305161192 /nfs/dbraw/zinc/16/11/92/1305161192.db2.gz VSHLQBWFLOOXJQ-CQSZACIVSA-N -1 0 336.457 2.954 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1 ZINC000870135023 1305161229 /nfs/dbraw/zinc/16/12/29/1305161229.db2.gz RLLRJSZESPCDBG-HNNXBMFYSA-N -1 0 330.432 2.702 20 30 EFEDRM C/C(=C/C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000870270457 1305234097 /nfs/dbraw/zinc/23/40/97/1305234097.db2.gz GTBVCABKFXCFJL-LCYFTJDESA-N -1 0 326.462 2.755 20 30 EFEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2)c1 ZINC000123112341 1305300804 /nfs/dbraw/zinc/30/08/04/1305300804.db2.gz CYTMYIFJKCUHRZ-KRWDZBQOSA-N -1 0 344.374 2.996 20 30 EFEDRM COc1ccccc1C[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123228171 1305440817 /nfs/dbraw/zinc/44/08/17/1305440817.db2.gz GDXVYBCTIUUBKA-UKRRQHHQSA-N -1 0 339.395 2.589 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000123363454 1305649400 /nfs/dbraw/zinc/64/94/00/1305649400.db2.gz VEGWMUCHLDRULK-OAHLLOKOSA-N -1 0 346.346 2.813 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc(C(=O)[O-])s1 ZINC001240846033 1314076941 /nfs/dbraw/zinc/07/69/41/1314076941.db2.gz POSAOONAAFQZRN-VIFPVBQESA-N -1 0 345.380 2.852 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cccc(C(=O)[O-])c1 ZINC001241358347 1314113282 /nfs/dbraw/zinc/11/32/82/1314113282.db2.gz VRONYCAAIJWWMW-ZDUSSCGKSA-N -1 0 339.351 2.791 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ncccc2Cl)n1 ZINC000796565546 1306412647 /nfs/dbraw/zinc/41/26/47/1306412647.db2.gz HLSNIBOXPNBHGM-VIFPVBQESA-N -1 0 335.772 2.533 20 30 EFEDRM COCCON=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000748789440 1314129655 /nfs/dbraw/zinc/12/96/55/1314129655.db2.gz HJLKIWCRFAEHTM-UHFFFAOYSA-N -1 0 329.352 2.961 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001209328338 1314140341 /nfs/dbraw/zinc/14/03/41/1314140341.db2.gz HZNPXDHPTLJSGC-UHFFFAOYSA-N -1 0 337.788 2.603 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](F)CC2CCCCC2)cc1 ZINC000796616070 1306847642 /nfs/dbraw/zinc/84/76/42/1306847642.db2.gz XJJZCBUPACQCTD-OAHLLOKOSA-N -1 0 338.404 2.672 20 30 EFEDRM N#CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000796619599 1306917408 /nfs/dbraw/zinc/91/74/08/1306917408.db2.gz QHDBHRWLEVLWKZ-CQSZACIVSA-N -1 0 346.383 2.718 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(OC)c(C(=O)[O-])c2)c1C#N ZINC001241854730 1314157622 /nfs/dbraw/zinc/15/76/22/1314157622.db2.gz KBTKIRBHTYSZNU-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](F)CC2CCCCC2)c1 ZINC000796625854 1306961985 /nfs/dbraw/zinc/96/19/85/1306961985.db2.gz MGSNSGFEYFYXQY-HNNXBMFYSA-N -1 0 338.404 2.672 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccccc1Br ZINC001257327161 1316056218 /nfs/dbraw/zinc/05/62/18/1316056218.db2.gz OLDDGZINHFNLSE-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259287736 1316225360 /nfs/dbraw/zinc/22/53/60/1316225360.db2.gz GICBWWDTJSFSNM-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1cc(C#N)cc(-c2cccc(CC(=O)[O-])c2)c1OC(C)=O ZINC001242262874 1314194980 /nfs/dbraw/zinc/19/49/80/1314194980.db2.gz VLMOFSGWWWIXFG-UHFFFAOYSA-N -1 0 325.320 2.786 20 30 EFEDRM CCc1ccc(O)c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000748921245 1314197435 /nfs/dbraw/zinc/19/74/35/1314197435.db2.gz RTNXIFZWWOAUCJ-CYBMUJFWSA-N -1 0 344.392 2.753 20 30 EFEDRM N#Cc1nc(-c2ccccc2)c(-c2ccc(C(=O)[O-])nc2)nc1C#N ZINC001242336013 1314199553 /nfs/dbraw/zinc/19/95/53/1314199553.db2.gz UENGGSOETVHYBO-UHFFFAOYSA-N -1 0 327.303 2.647 20 30 EFEDRM COc1cc(CN[C@@H](C)c2nc(C(=O)[O-])c(C)s2)ccc1C#N ZINC000900078188 1307639478 /nfs/dbraw/zinc/63/94/78/1307639478.db2.gz HSNCIKOHZSWVFA-VIFPVBQESA-N -1 0 331.397 2.881 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000800279176 1307648100 /nfs/dbraw/zinc/64/81/00/1307648100.db2.gz FFJWJMKIGHIMLG-GHMZBOCLSA-N -1 0 342.367 2.997 20 30 EFEDRM CCOC(=O)Oc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000800386840 1307779924 /nfs/dbraw/zinc/77/99/24/1307779924.db2.gz OAJPZHLXKQUAMM-OAHLLOKOSA-N -1 0 344.367 2.603 20 30 EFEDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000800392436 1307786806 /nfs/dbraw/zinc/78/68/06/1307786806.db2.gz WTZZIFVGNIIVGM-JTQLQIEISA-N -1 0 328.821 2.843 20 30 EFEDRM C=CCN(C(=O)Nc1ccnn1CC)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000900325016 1307975157 /nfs/dbraw/zinc/97/51/57/1307975157.db2.gz DXMWMQWLNXNVOO-OAHLLOKOSA-N -1 0 342.399 2.619 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OC(C)C)cc1C)C(=O)[O-] ZINC000900330756 1307988537 /nfs/dbraw/zinc/98/85/37/1307988537.db2.gz FZXXUPUYTAPSMH-OAHLLOKOSA-N -1 0 336.388 2.560 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC000900333751 1307996752 /nfs/dbraw/zinc/99/67/52/1307996752.db2.gz QPPVDXPBEMUPIN-UHFFFAOYSA-N -1 0 333.388 2.838 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cccc(C(=O)[O-])c2OC)c1C#N ZINC001242921730 1314245411 /nfs/dbraw/zinc/24/54/11/1314245411.db2.gz ZTKIWJDSSCRITO-UHFFFAOYSA-N -1 0 340.335 2.812 20 30 EFEDRM Cn1cnc(/C=C\C(=O)c2cc(Br)cc(F)c2[O-])c1 ZINC000800794692 1308433097 /nfs/dbraw/zinc/43/30/97/1308433097.db2.gz NPKYVCHOHTZSOM-IHWYPQMZSA-N -1 0 325.137 2.923 20 30 EFEDRM Cc1[nH]c(C=NN2C(=O)c3cccc4cccc(c43)C2=O)cc1C(=O)[O-] ZINC000800807220 1308457945 /nfs/dbraw/zinc/45/79/45/1308457945.db2.gz SPJOTAOABKMORQ-UHFFFAOYSA-N -1 0 347.330 2.805 20 30 EFEDRM COC(=O)c1c(F)cccc1NN=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000800818204 1308483112 /nfs/dbraw/zinc/48/31/12/1308483112.db2.gz MNJIZWHSAFSSCK-UHFFFAOYSA-N -1 0 333.275 2.672 20 30 EFEDRM COC(=O)c1ncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1 ZINC001243011837 1314252726 /nfs/dbraw/zinc/25/27/26/1314252726.db2.gz WCHSLTSRPCZJOE-DENHBWNVSA-N -1 0 325.246 2.757 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209893337 1314255315 /nfs/dbraw/zinc/25/53/15/1314255315.db2.gz FVPRBBOABJMTDA-UHFFFAOYSA-N -1 0 327.315 2.807 20 30 EFEDRM Cc1nc(C#N)c(C#N)nc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001243155568 1314266180 /nfs/dbraw/zinc/26/61/80/1314266180.db2.gz MXBNACGDVINTRX-UHFFFAOYSA-N -1 0 332.241 2.912 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1Nc1c(C#N)cnn1C1CCOCC1 ZINC001210254716 1314302815 /nfs/dbraw/zinc/30/28/15/1314302815.db2.gz UEIICNOYPSLMOL-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC001413298872 1309452186 /nfs/dbraw/zinc/45/21/86/1309452186.db2.gz QRPODUKZCGPUEQ-GPCCPHFNSA-N -1 0 328.384 2.939 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3=CC[C@@H](C#N)CC3)nc2)no1 ZINC001243799063 1314324058 /nfs/dbraw/zinc/32/40/58/1314324058.db2.gz PSOQYZBMAJDXAW-GFCCVEGCSA-N -1 0 344.396 2.886 20 30 EFEDRM N#Cc1c[nH]c2nc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)ccc12 ZINC001244029860 1314345176 /nfs/dbraw/zinc/34/51/76/1314345176.db2.gz TYPAZXOMDPSPRF-UHFFFAOYSA-N -1 0 334.335 2.905 20 30 EFEDRM N#CCc1cnc(F)c(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001244036650 1314346002 /nfs/dbraw/zinc/34/60/02/1314346002.db2.gz WOBQDJSNRRISRJ-UHFFFAOYSA-N -1 0 327.315 2.757 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C)cc2C#N)cc1 ZINC001210568348 1314355028 /nfs/dbraw/zinc/35/50/28/1314355028.db2.gz HOIKBJPZZNOXCW-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM COc1nc(C)nc(-c2cc(OC(F)(F)F)ccc2[O-])c1C#N ZINC001244457680 1314382219 /nfs/dbraw/zinc/38/22/19/1314382219.db2.gz PVKDSMDJBRYTHL-UHFFFAOYSA-N -1 0 325.246 2.937 20 30 EFEDRM CC(C)c1cccc2c1OC/C(=C\c1c(C(=O)[O-])cnn1C)C2=O ZINC000901487095 1310558400 /nfs/dbraw/zinc/55/84/00/1310558400.db2.gz ZZDSNSYXBUIBCD-YRNVUSSQSA-N -1 0 326.352 2.900 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C#N ZINC001259931304 1310574544 /nfs/dbraw/zinc/57/45/44/1310574544.db2.gz CXQLNWMQNAIGQX-UHFFFAOYSA-N -1 0 335.610 2.902 20 30 EFEDRM C=CCOc1c(Cl)cc(CN2CC[C@](F)(C(=O)[O-])C2)cc1OC ZINC000901516817 1310594869 /nfs/dbraw/zinc/59/48/69/1310594869.db2.gz WHKRQGFHCHHDFR-MRXNPFEDSA-N -1 0 343.782 2.912 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)cc1)C(=O)[O-] ZINC000901559946 1310667615 /nfs/dbraw/zinc/66/76/15/1310667615.db2.gz CDWLURNECAXYMB-UVMWJGKXSA-N -1 0 326.352 2.577 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2cc3n(n2)CCC3)cc1)C(=O)[O-] ZINC000901559944 1310667767 /nfs/dbraw/zinc/66/77/67/1310667767.db2.gz CDWLURNECAXYMB-OJIASSBASA-N -1 0 326.352 2.577 20 30 EFEDRM COc1cc(C(F)(F)F)c(C#N)c(-c2cnc(F)c(C(=O)[O-])c2)n1 ZINC001244753809 1314408393 /nfs/dbraw/zinc/40/83/93/1314408393.db2.gz ZFMMDVCEOZTLHH-UHFFFAOYSA-N -1 0 341.220 2.880 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc(CC(=O)[O-])cc3)cc12 ZINC000750904252 1311101843 /nfs/dbraw/zinc/10/18/43/1311101843.db2.gz HFRSUAVTKVAHSZ-VMPITWQZSA-N -1 0 335.363 2.800 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000751134052 1311108933 /nfs/dbraw/zinc/10/89/33/1311108933.db2.gz SWPWWFRBGLKOHH-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)N[C@H](C)C1CC1)CCC2 ZINC000751531039 1311122263 /nfs/dbraw/zinc/12/22/63/1311122263.db2.gz GRLAOOPVMVJVHH-SECBINFHSA-N -1 0 335.429 2.589 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c1 ZINC000901867095 1311135816 /nfs/dbraw/zinc/13/58/16/1311135816.db2.gz IHUFMBBRNIAWCD-UHFFFAOYSA-N -1 0 333.413 2.663 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)nc2C)n1 ZINC000751771169 1311136755 /nfs/dbraw/zinc/13/67/55/1311136755.db2.gz JADPFHNUBPWMNF-LLVKDONJSA-N -1 0 349.799 2.842 20 30 EFEDRM N#CCCN1CC(OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222938459 1311200921 /nfs/dbraw/zinc/20/09/21/1311200921.db2.gz HVUCPACLJPIUBA-UYRXBGFRSA-N -1 0 329.734 2.725 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802037473 1311252048 /nfs/dbraw/zinc/25/20/48/1311252048.db2.gz ILXUAGQGUOJDGF-CYBMUJFWSA-N -1 0 327.771 2.833 20 30 EFEDRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000901976820 1311270173 /nfs/dbraw/zinc/27/01/73/1311270173.db2.gz QHULBUBWPSCCLN-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@H]2CCCn3cc(C)nc32)c1 ZINC001223891425 1311316569 /nfs/dbraw/zinc/31/65/69/1311316569.db2.gz JSQPPXYAOYFGBZ-DXQAYGFFSA-N -1 0 331.372 2.896 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cc(Cl)ncc1F ZINC001158964924 1311425380 /nfs/dbraw/zinc/42/53/80/1311425380.db2.gz KEYCXUOMDLPOIK-UHFFFAOYSA-N -1 0 345.668 2.718 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1ncc([N+](=O)[O-])c2ccccc12 ZINC001158965405 1311425480 /nfs/dbraw/zinc/42/54/80/1311425480.db2.gz RDPTUVUVOJNHSW-UHFFFAOYSA-N -1 0 338.283 2.569 20 30 EFEDRM COC(=O)n1ncc(C#N)c1Nc1ncc(F)c(-c2ccsc2)n1 ZINC001158970493 1311427094 /nfs/dbraw/zinc/42/70/94/1311427094.db2.gz YITKYNVZDGTOCI-UHFFFAOYSA-N -1 0 344.331 2.770 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000802212944 1311464950 /nfs/dbraw/zinc/46/49/50/1311464950.db2.gz JNVKTHLORGQRPT-HNNXBMFYSA-N -1 0 341.798 2.991 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(CC)c1 ZINC001225316811 1311506907 /nfs/dbraw/zinc/50/69/07/1311506907.db2.gz QNHYMJAEPQLXOX-CYBMUJFWSA-N -1 0 334.821 2.740 20 30 EFEDRM N#Cc1ccnc(N2CCC(Oc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC001225492461 1311532048 /nfs/dbraw/zinc/53/20/48/1311532048.db2.gz WSYVTVPKDCMRIH-UHFFFAOYSA-N -1 0 340.339 2.615 20 30 EFEDRM C#C[C@@H](C)Oc1c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c2c1=O ZINC001225624966 1311556152 /nfs/dbraw/zinc/55/61/52/1311556152.db2.gz GBOLCWHRZRJZGQ-SNVBAGLBSA-N -1 0 338.315 2.977 20 30 EFEDRM CCC[C@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)cc(=O)[n-]1 ZINC001225729544 1311569860 /nfs/dbraw/zinc/56/98/60/1311569860.db2.gz ALNFSNYBUQIFAL-CQSZACIVSA-N -1 0 326.352 2.568 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001225980936 1311597702 /nfs/dbraw/zinc/59/77/02/1311597702.db2.gz SDUSKFBFQWPLHC-QMMMGPOBSA-N -1 0 334.294 2.866 20 30 EFEDRM CCCCOC[C@@H](C)OC[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009077 1311600839 /nfs/dbraw/zinc/60/08/39/1311600839.db2.gz RMGQZKDRMTWNKY-NEPJUHHUSA-N -1 0 326.368 2.787 20 30 EFEDRM CCCCOC[C@H](C)OC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009078 1311600988 /nfs/dbraw/zinc/60/09/88/1311600988.db2.gz RMGQZKDRMTWNKY-NWDGAFQWSA-N -1 0 326.368 2.787 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC12CC(Oc1[n-]c(=O)c(F)cc1C#N)C2 ZINC001226012592 1311601278 /nfs/dbraw/zinc/60/12/78/1311601278.db2.gz CAFWHWYHXNJODC-UHFFFAOYSA-N -1 0 349.362 2.719 20 30 EFEDRM C=C[C@@H](CCCCC)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-] ZINC001226017800 1311601988 /nfs/dbraw/zinc/60/19/88/1311601988.db2.gz HVOOLRDKMCKLJN-JTQLQIEISA-N -1 0 339.348 2.781 20 30 EFEDRM CCC[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)OCC ZINC001226066218 1311608348 /nfs/dbraw/zinc/60/83/48/1311608348.db2.gz ZGJUDJXFWOOTKP-JTQLQIEISA-N -1 0 332.278 2.788 20 30 EFEDRM CCOC(=O)[C@@H]1CC[C@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066276 1311608352 /nfs/dbraw/zinc/60/83/52/1311608352.db2.gz AAKWDLWDGNAZBA-BDAKNGLRSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221580 1311632797 /nfs/dbraw/zinc/63/27/97/1311632797.db2.gz MRPGVSWHQZWUBU-VXGBXAGGSA-N -1 0 333.388 2.744 20 30 EFEDRM CCN(CC)C(=O)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1 ZINC001226223188 1311633099 /nfs/dbraw/zinc/63/30/99/1311633099.db2.gz MEHQQGDHWHEZQC-QGZVFWFLSA-N -1 0 339.395 2.956 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C[C@@H](C(=O)OCc3ccccc3)C2)c1C#N ZINC001226223574 1311633181 /nfs/dbraw/zinc/63/31/81/1311633181.db2.gz RJMSAFQAWZVSTR-GASCZTMLSA-N -1 0 338.363 2.868 20 30 EFEDRM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(O)cc2S(=O)(=O)[O-])O1 ZINC001226413521 1311663604 /nfs/dbraw/zinc/66/36/04/1311663604.db2.gz RBLYDFRJDSZTDB-ZBFHGGJFSA-N -1 0 342.413 2.920 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(F)c2ccccc12 ZINC001226546471 1311686537 /nfs/dbraw/zinc/68/65/37/1311686537.db2.gz JTJDFAVLRNEMCE-LBPRGKRZSA-N -1 0 340.372 2.817 20 30 EFEDRM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(=O)[n-]c(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001226651895 1311702622 /nfs/dbraw/zinc/70/26/22/1311702622.db2.gz KHNQKGCEPLLMBJ-MNOVXSKESA-N -1 0 349.343 2.557 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(-c2ccccc2)ccn1 ZINC001226950895 1311745900 /nfs/dbraw/zinc/74/59/00/1311745900.db2.gz XWKSQRNEMGDSNC-MRXNPFEDSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1csc(C(F)(F)F)c1 ZINC001227324657 1311793850 /nfs/dbraw/zinc/79/38/50/1311793850.db2.gz RNQSCQRHQLTYGM-VIFPVBQESA-N -1 0 346.348 2.605 20 30 EFEDRM C=CCC[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227333358 1311794700 /nfs/dbraw/zinc/79/47/00/1311794700.db2.gz XPPZWVZXRGONDH-MRVPVSSYSA-N -1 0 345.193 2.855 20 30 EFEDRM Cc1cccc2nc(Cl)c(C#N)c(NCC(=O)CCC(=O)[O-])c12 ZINC001160880219 1311801931 /nfs/dbraw/zinc/80/19/31/1311801931.db2.gz ZLOXIWQFTHIEQI-UHFFFAOYSA-N -1 0 331.759 2.914 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(/C=C/C)cc1OC ZINC001227410405 1311804278 /nfs/dbraw/zinc/80/42/78/1311804278.db2.gz GBRXJLLBTKAKEO-YVZNUBBCSA-N -1 0 342.413 2.566 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccccc1C(C)(C)C ZINC001227470979 1311810461 /nfs/dbraw/zinc/81/04/61/1311810461.db2.gz ZLCXQRLWKXSYKG-ZDUSSCGKSA-N -1 0 328.430 2.822 20 30 EFEDRM C#C[C@H](Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC)C(C)C ZINC001227494435 1311812420 /nfs/dbraw/zinc/81/24/20/1311812420.db2.gz AXGKGHIGKQPGOX-JTQLQIEISA-N -1 0 340.397 2.844 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(CCCC)cc1 ZINC001227622256 1311832120 /nfs/dbraw/zinc/83/21/20/1311832120.db2.gz JXFUSGQSMIEQDG-INIZCTEOSA-N -1 0 328.430 2.867 20 30 EFEDRM C#C[C@H](CCCC)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636890 1311834933 /nfs/dbraw/zinc/83/49/33/1311834933.db2.gz CRCBTEQAVCKKIN-LLVKDONJSA-N -1 0 338.356 2.909 20 30 EFEDRM C#C[C@@H](C)Oc1cc(OC)cc2oc3ccc(O)c(=O)c-3c([O-])c12 ZINC001227658427 1311836415 /nfs/dbraw/zinc/83/64/15/1311836415.db2.gz VTUKXEJCAGTJPB-SECBINFHSA-N -1 0 326.304 2.767 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(C)C)c(C)c1 ZINC001228199918 1311913575 /nfs/dbraw/zinc/91/35/75/1311913575.db2.gz XJZWVMJKXODHDV-HNNXBMFYSA-N -1 0 328.430 2.956 20 30 EFEDRM N#C[C@H](Oc1ccc(-n2nn[n-]c2=S)cc1)c1ccccc1F ZINC001228442145 1311948459 /nfs/dbraw/zinc/94/84/59/1311948459.db2.gz VKKNHEXAQAMYQY-AWEZNQCLSA-N -1 0 327.344 2.734 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C(=O)CCC)cc1 ZINC001228463757 1311951114 /nfs/dbraw/zinc/95/11/14/1311951114.db2.gz PCTGCOROFSZKEY-HNNXBMFYSA-N -1 0 342.413 2.507 20 30 EFEDRM CC[C@@H](NN=Cc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000381280926 1311977477 /nfs/dbraw/zinc/97/74/77/1311977477.db2.gz YDIWCMZRBIFLJK-SSDOTTSWSA-N -1 0 325.615 2.951 20 30 EFEDRM Cc1cc(=O)c(COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n[n-]1 ZINC000802767250 1311999498 /nfs/dbraw/zinc/99/94/98/1311999498.db2.gz MLBUKUQQVVXZMH-UHFFFAOYSA-N -1 0 329.331 2.522 20 30 EFEDRM CCc1ccc2occ(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)c2c1 ZINC000802769609 1312001240 /nfs/dbraw/zinc/00/12/40/1312001240.db2.gz OHACBZVDNZRADA-UHFFFAOYSA-N -1 0 346.408 2.749 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)C#C[Si](C)(C)C)cc1[O-] ZINC001228813418 1312004319 /nfs/dbraw/zinc/00/43/19/1312004319.db2.gz CHNTXQSILZDZMI-JTQLQIEISA-N -1 0 337.404 2.735 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228900024 1312016895 /nfs/dbraw/zinc/01/68/95/1312016895.db2.gz BWJFVELVGJXLJZ-ZDUSSCGKSA-N -1 0 345.399 2.827 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]c(=O)ccc3C#N)C[C@H]21 ZINC001228898914 1312017088 /nfs/dbraw/zinc/01/70/88/1312017088.db2.gz OUPMRIHVHSIVQA-MRVWCRGKSA-N -1 0 345.399 2.826 20 30 EFEDRM C[C@@H]1CC[C@@H](Oc2[n-]c(=O)ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228902082 1312017449 /nfs/dbraw/zinc/01/74/49/1312017449.db2.gz PQTLTZPXCODJEH-DGCLKSJQSA-N -1 0 333.388 2.826 20 30 EFEDRM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228903283 1312017636 /nfs/dbraw/zinc/01/76/36/1312017636.db2.gz WNTITPFNIAFVBK-WCQYABFASA-N -1 0 333.388 2.683 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]c(=O)ccc3C#N)[C@H]2C1 ZINC001228904999 1312018181 /nfs/dbraw/zinc/01/81/81/1312018181.db2.gz DZTTYUFLVYFCPD-MELADBBJSA-N -1 0 345.399 2.683 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]c(=O)ccc3C#N)[C@@H]2C1 ZINC001228904997 1312018202 /nfs/dbraw/zinc/01/82/02/1312018202.db2.gz DZTTYUFLVYFCPD-BFHYXJOUSA-N -1 0 345.399 2.683 20 30 EFEDRM C=CCC[C@@H](CC)Oc1nc[n-]c(=O)c1I ZINC001228931732 1312022555 /nfs/dbraw/zinc/02/25/55/1312022555.db2.gz DRFDILFJJAGLLT-MRVPVSSYSA-N -1 0 334.157 2.910 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccc2)cn1 ZINC001229077322 1312044475 /nfs/dbraw/zinc/04/44/75/1312044475.db2.gz NXCXXKDCAVWFAE-INIZCTEOSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2sccc2c1 ZINC001229123337 1312050077 /nfs/dbraw/zinc/05/00/77/1312050077.db2.gz YINWFWUYJPUVDC-ZDUSSCGKSA-N -1 0 328.411 2.739 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2c(C)cccc12 ZINC001229401630 1312090119 /nfs/dbraw/zinc/09/01/19/1312090119.db2.gz CANCLCOVJMMTJY-UHFFFAOYSA-N -1 0 330.384 2.796 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000802867010 1312091346 /nfs/dbraw/zinc/09/13/46/1312091346.db2.gz MVUNRZMJDCREFL-UHFFFAOYSA-N -1 0 348.449 2.976 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)cc(C)c1Cl ZINC001229524479 1312109547 /nfs/dbraw/zinc/10/95/47/1312109547.db2.gz RYXKMFNETPMLQC-GFCCVEGCSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(O)ccc1CCCC ZINC001229572759 1312114946 /nfs/dbraw/zinc/11/49/46/1312114946.db2.gz MQDLUPHEYRBFEY-HNNXBMFYSA-N -1 0 344.429 2.573 20 30 EFEDRM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1ccc([S-])cc1C ZINC001229634409 1312121700 /nfs/dbraw/zinc/12/17/00/1312121700.db2.gz IGUKMLPMUQAKIC-ZDUSSCGKSA-N -1 0 336.409 2.880 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000803006699 1312199940 /nfs/dbraw/zinc/19/99/40/1312199940.db2.gz SSDOCVYAVSXTBO-HNNXBMFYSA-N -1 0 333.494 3.000 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncc([N+](=O)[O-])cc1C#N ZINC001163111095 1312243484 /nfs/dbraw/zinc/24/34/84/1312243484.db2.gz NLZFNADHJDGPQD-UHFFFAOYSA-N -1 0 336.311 2.805 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)c1C#N ZINC000903095767 1312350782 /nfs/dbraw/zinc/35/07/82/1312350782.db2.gz YFPBVXMNBVSTDA-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2cccc(Cl)c21 ZINC001230883780 1312381113 /nfs/dbraw/zinc/38/11/13/1312381113.db2.gz BHJWAMDDDXGBDW-SECBINFHSA-N -1 0 335.747 2.603 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)c(C)c1 ZINC000903140820 1312400349 /nfs/dbraw/zinc/40/03/49/1312400349.db2.gz IAAORJSHNAREPR-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM CCOC(=O)C[C@@H](CC#N)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1 ZINC001231045603 1312418369 /nfs/dbraw/zinc/41/83/69/1312418369.db2.gz XPUXNJDQEZKCHW-SSDOTTSWSA-N -1 0 343.170 2.879 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1 ZINC000903169273 1312425084 /nfs/dbraw/zinc/42/50/84/1312425084.db2.gz FBRQTKBVXNMTFB-UHFFFAOYSA-N -1 0 336.438 2.918 20 30 EFEDRM CC[C@H](C#CC(=O)OC)Oc1ccccc1C(=O)c1ccccc1[O-] ZINC001231218965 1312455686 /nfs/dbraw/zinc/45/56/86/1312455686.db2.gz NZIKWNRVPNJSHY-CQSZACIVSA-N -1 0 338.359 2.957 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC[C@H]2CCCO2)c1C#N ZINC001231227458 1312457372 /nfs/dbraw/zinc/45/73/72/1312457372.db2.gz GBVSAVUTXJIDEP-SNVBAGLBSA-N -1 0 339.307 2.755 20 30 EFEDRM C[C@H](CS)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231228075 1312458281 /nfs/dbraw/zinc/45/82/81/1312458281.db2.gz CCWIXVDZMFUELE-MRVPVSSYSA-N -1 0 329.337 2.894 20 30 EFEDRM N#Cc1cc2ccc(NCC[N-]C(=O)C(F)(F)F)cc2cc1C#N ZINC001164246002 1312477767 /nfs/dbraw/zinc/47/77/67/1312477767.db2.gz IXVJSFSPXKLIQP-UHFFFAOYSA-N -1 0 332.285 2.674 20 30 EFEDRM N#CN=C(Nc1cc(Br)cc(C(=O)[O-])c1)c1ccncc1 ZINC001164517715 1312531232 /nfs/dbraw/zinc/53/12/32/1312531232.db2.gz WIWJIVFGLIMUHU-UHFFFAOYSA-N -1 0 345.156 2.691 20 30 EFEDRM N#CC1CN(Cc2ccccc2-c2ccccc2C(=O)[O-])CCC1=O ZINC001231679352 1312548904 /nfs/dbraw/zinc/54/89/04/1312548904.db2.gz IWTZCHACDAVMPI-HNNXBMFYSA-N -1 0 334.375 2.966 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803407522 1312594803 /nfs/dbraw/zinc/59/48/03/1312594803.db2.gz HMOYIKCYSVNLDP-CMDGGOBGSA-N -1 0 331.335 2.701 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cccc(C(=O)[O-])c1OC ZINC001211033103 1314426458 /nfs/dbraw/zinc/42/64/58/1314426458.db2.gz FYPLJTDKILPWFP-UHFFFAOYSA-N -1 0 348.156 2.671 20 30 EFEDRM COc1c(Nc2c(C#N)cnn2C2CCOCC2)cccc1C(=O)[O-] ZINC001211033499 1314426575 /nfs/dbraw/zinc/42/65/75/1314426575.db2.gz OYXBLPWMFJUSFZ-UHFFFAOYSA-N -1 0 342.355 2.557 20 30 EFEDRM N#Cc1ccc(NC(=S)NCc2cc(=O)[n-]o2)cc1C(F)(F)F ZINC001245787999 1314535070 /nfs/dbraw/zinc/53/50/70/1314535070.db2.gz MVOMFPBYIHFZMA-UHFFFAOYSA-N -1 0 342.302 2.757 20 30 EFEDRM N#CCCn1[n-]c(-c2ccc(I)cc2)cc1=O ZINC001245921503 1314549999 /nfs/dbraw/zinc/54/99/99/1314549999.db2.gz UZBCTRGSQWMZHF-UHFFFAOYSA-N -1 0 339.136 2.774 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213623653 1314583170 /nfs/dbraw/zinc/58/31/70/1314583170.db2.gz YDLBCUUNKXFYKX-UHFFFAOYSA-N -1 0 333.351 2.900 20 30 EFEDRM CON(C)C(=O)c1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1F ZINC001214263320 1314668863 /nfs/dbraw/zinc/66/88/63/1314668863.db2.gz UYYRTRMVBSRUOJ-UHFFFAOYSA-N -1 0 333.294 2.919 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Br)cc1 ZINC000119681483 1314687129 /nfs/dbraw/zinc/68/71/29/1314687129.db2.gz XNBJCVNSDNHNPS-CYBMUJFWSA-N -1 0 335.201 2.830 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119685687 1314688429 /nfs/dbraw/zinc/68/84/29/1314688429.db2.gz VLTCMTULDCTGER-LBPRGKRZSA-N -1 0 335.747 2.629 20 30 EFEDRM N#Cc1nc(N)c(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)nc1C#N ZINC001214512175 1314700419 /nfs/dbraw/zinc/70/04/19/1314700419.db2.gz SNRNUYSEIWYYED-UHFFFAOYSA-N -1 0 349.137 2.551 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000119874121 1314727448 /nfs/dbraw/zinc/72/74/48/1314727448.db2.gz FWQXTOQNSUHNNI-AWEZNQCLSA-N -1 0 340.358 2.597 20 30 EFEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119877693 1314728726 /nfs/dbraw/zinc/72/87/26/1314728726.db2.gz AWIXIGAKSYMIKD-MRXNPFEDSA-N -1 0 341.411 2.662 20 30 EFEDRM CON(C)C(=O)c1cc(F)cc(Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001215593028 1314854874 /nfs/dbraw/zinc/85/48/74/1314854874.db2.gz LEKSCQCTXAFTBE-UHFFFAOYSA-N -1 0 333.294 2.919 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(-c3ccccc3-c3nn[nH]n3)n2)c1 ZINC001216014076 1314901458 /nfs/dbraw/zinc/90/14/58/1314901458.db2.gz FKQAOBARXZBBFP-UHFFFAOYSA-N -1 0 333.286 2.594 20 30 EFEDRM CCc1cc(Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)ccc1C#N ZINC001216314588 1314939815 /nfs/dbraw/zinc/93/98/15/1314939815.db2.gz HEAUKPAMGUMFQS-UHFFFAOYSA-N -1 0 343.408 2.689 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216679745 1314992414 /nfs/dbraw/zinc/99/24/14/1314992414.db2.gz YWIGXGAEGSBVJX-UHFFFAOYSA-N -1 0 344.346 2.616 20 30 EFEDRM N#Cc1cccc(-c2noc(-c3ccccc3S(=O)(=O)[O-])n2)c1 ZINC001216732179 1315000557 /nfs/dbraw/zinc/00/05/57/1315000557.db2.gz MCDSLEUJCPWBPE-UHFFFAOYSA-N -1 0 327.321 2.522 20 30 EFEDRM COC(=O)c1ccc([O-])c(-c2nc(-c3cc(C#N)ccc3F)no2)c1 ZINC001216912568 1315022103 /nfs/dbraw/zinc/02/21/03/1315022103.db2.gz PHFVUCAINIAWJJ-UHFFFAOYSA-N -1 0 339.282 2.907 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3cccnc3OC(F)F)no2)c1[O-] ZINC001216980262 1315027816 /nfs/dbraw/zinc/02/78/16/1315027816.db2.gz YCQYTOMDFIEXCQ-UHFFFAOYSA-N -1 0 330.250 2.977 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3c([O-])c(F)c(F)c(F)c3F)n2)nc1 ZINC001217025387 1315030968 /nfs/dbraw/zinc/03/09/68/1315030968.db2.gz SZCMWFKQPLUIGW-UHFFFAOYSA-N -1 0 336.204 2.932 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3ccc4c(c3)OCCC4=O)no2)c([O-])c1 ZINC001217039830 1315032424 /nfs/dbraw/zinc/03/24/24/1315032424.db2.gz OMYFPKWMVZETIO-UHFFFAOYSA-N -1 0 333.303 2.946 20 30 EFEDRM N#Cc1ccc(-c2nc(-c3ccc(OC4COC4)cc3)no2)c([O-])c1 ZINC001217039624 1315032485 /nfs/dbraw/zinc/03/24/85/1315032485.db2.gz VCZNXWODSMVYGD-UHFFFAOYSA-N -1 0 335.319 2.758 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3c[n-]c4c(F)cccc4c3=O)n2)nc1 ZINC001217274422 1315054526 /nfs/dbraw/zinc/05/45/26/1315054526.db2.gz NPHCSVLXKNCXKH-UHFFFAOYSA-N -1 0 333.282 2.651 20 30 EFEDRM COc1ccc2[n-]c(-c3nc(-c4ccc(C#N)cn4)no3)cc(=O)c2c1 ZINC001217445886 1315074114 /nfs/dbraw/zinc/07/41/14/1315074114.db2.gz NKOZQMXNDSWYIF-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1cccnc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502711 1315079085 /nfs/dbraw/zinc/07/90/85/1315079085.db2.gz RIHLUPOHGIQRKO-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1ncccc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502659 1315079160 /nfs/dbraw/zinc/07/91/60/1315079160.db2.gz QGTWISDOPXXMJM-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM Cc1cnccc1-c1noc(-c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001217502259 1315079647 /nfs/dbraw/zinc/07/96/47/1315079647.db2.gz IYCIPFFHWRRULN-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccs2)c(Br)c1 ZINC001250867268 1315283395 /nfs/dbraw/zinc/28/33/95/1315283395.db2.gz ISABAEWJUIAFBR-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251247349 1315334271 /nfs/dbraw/zinc/33/42/71/1315334271.db2.gz YKJSDVHFGNGMIT-ZCFIWIBFSA-N -1 0 342.289 2.599 20 30 EFEDRM C#CC(CC)(CC)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251186602 1315328767 /nfs/dbraw/zinc/32/87/67/1315328767.db2.gz YZNWSKRNKDVVSX-UHFFFAOYSA-N -1 0 341.301 2.852 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C#N ZINC001251312768 1315339989 /nfs/dbraw/zinc/33/99/89/1315339989.db2.gz BKKASDWFYHKWFX-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM C#CC1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251411485 1315346973 /nfs/dbraw/zinc/34/69/73/1315346973.db2.gz DLYMKWYIXFJNKD-UHFFFAOYSA-N -1 0 334.224 2.733 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251611761 1315359361 /nfs/dbraw/zinc/35/93/61/1315359361.db2.gz SGSMYIDCRORYBD-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)cc1 ZINC001251838653 1315381468 /nfs/dbraw/zinc/38/14/68/1315381468.db2.gz XFJXLVYIIJCBHI-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2OC)cc1 ZINC001251934121 1315390232 /nfs/dbraw/zinc/39/02/32/1315390232.db2.gz NYSYPVZRUCFRKY-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001251993719 1315401908 /nfs/dbraw/zinc/40/19/08/1315401908.db2.gz YNRZGVBUHOUNST-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)C(F)(F)F ZINC001252364629 1315439452 /nfs/dbraw/zinc/43/94/52/1315439452.db2.gz PYEVOTAWROQHAT-UHFFFAOYSA-N -1 0 347.087 2.721 20 30 EFEDRM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC001252386691 1315443825 /nfs/dbraw/zinc/44/38/25/1315443825.db2.gz ZSVIRNJJGZHTDR-ZETCQYMHSA-N -1 0 325.205 2.868 20 30 EFEDRM C=CCC[C@H](O)CNc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001252606958 1315475154 /nfs/dbraw/zinc/47/51/54/1315475154.db2.gz CNKPJRTUQVHELV-NSHDSACASA-N -1 0 337.397 2.531 20 30 EFEDRM C=CCOC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)[C@@H](C)CC ZINC001253064630 1315562135 /nfs/dbraw/zinc/56/21/35/1315562135.db2.gz FWNVRJKIWFGCOZ-QNICALHASA-N -1 0 337.441 2.721 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1C(F)(F)F ZINC001253183320 1315577722 /nfs/dbraw/zinc/57/77/22/1315577722.db2.gz FPAVOUCDIFNCAF-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC001253188873 1315578044 /nfs/dbraw/zinc/57/80/44/1315578044.db2.gz LYMGAQCSLXJGGZ-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1ccc(C[N-]S(=O)(=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC001253253903 1315585259 /nfs/dbraw/zinc/58/52/59/1315585259.db2.gz CXSQEQFBVBCHKU-UHFFFAOYSA-N -1 0 346.252 2.559 20 30 EFEDRM CCS(=O)(=O)[N-]c1cc(OC)c(OCc2ccccc2)cc1C#N ZINC001253367276 1315596530 /nfs/dbraw/zinc/59/65/30/1315596530.db2.gz WDWUPCYBBYKXDR-UHFFFAOYSA-N -1 0 346.408 2.907 20 30 EFEDRM C=C[C@@H](O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001253592286 1315617512 /nfs/dbraw/zinc/61/75/12/1315617512.db2.gz LQYFDMAMOKIQTN-OAHLLOKOSA-N -1 0 325.364 2.504 20 30 EFEDRM C#Cc1ccc(-c2ccc(-c3cn(CCOCC(=O)[O-])nn3)cc2)cc1 ZINC001254089432 1315672326 /nfs/dbraw/zinc/67/23/26/1315672326.db2.gz FTKMUAIIJWRFJP-UHFFFAOYSA-N -1 0 347.374 2.695 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC001254218244 1315683226 /nfs/dbraw/zinc/68/32/26/1315683226.db2.gz VFVYYDBLNUIMNU-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1ccccc1C ZINC001254519242 1315714309 /nfs/dbraw/zinc/71/43/09/1315714309.db2.gz GMJWWKBTWMGOAU-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254875456 1315753911 /nfs/dbraw/zinc/75/39/11/1315753911.db2.gz WJBOILRLRPWRKK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC001255496989 1315832885 /nfs/dbraw/zinc/83/28/85/1315832885.db2.gz DZNJQEJPYCJKBW-UHFFFAOYSA-N -1 0 333.384 2.749 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001255732601 1315862718 /nfs/dbraw/zinc/86/27/18/1315862718.db2.gz MFSRHIZVEKRXSN-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC001255862643 1315874015 /nfs/dbraw/zinc/87/40/15/1315874015.db2.gz CAWWXVGKIGALEQ-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#CC12CCC(NS(=O)(=O)c3ccc(F)cc3F)(CC1)CC2 ZINC001256098664 1315904500 /nfs/dbraw/zinc/90/45/00/1315904500.db2.gz UKVASJYSSMXCEV-UHFFFAOYSA-N -1 0 326.368 2.860 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1F ZINC001256101812 1315904868 /nfs/dbraw/zinc/90/48/68/1315904868.db2.gz CUALMLGBPKDDQQ-UHFFFAOYSA-N -1 0 343.195 2.736 20 30 EFEDRM C#Cc1cnc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c(C#C)n1 ZINC001256146507 1315908960 /nfs/dbraw/zinc/90/89/60/1315908960.db2.gz DGVOUVPEGUXNSU-UHFFFAOYSA-N -1 0 345.811 2.510 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(O)cc1F ZINC001256502181 1315949637 /nfs/dbraw/zinc/94/96/37/1315949637.db2.gz UOJTXTFVOUXBRG-UHFFFAOYSA-N -1 0 332.765 2.919 20 30 EFEDRM C=CC[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC001256551032 1315955363 /nfs/dbraw/zinc/95/53/63/1315955363.db2.gz MRKCZJIMGMRVGI-KRWDZBQOSA-N -1 0 339.391 2.802 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC001256550524 1315955402 /nfs/dbraw/zinc/95/54/02/1315955402.db2.gz ITXYQTKHEIUJAT-BXKDBHETSA-N -1 0 326.190 2.698 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC001256550525 1315955614 /nfs/dbraw/zinc/95/56/14/1315955614.db2.gz ITXYQTKHEIUJAT-CABZTGNLSA-N -1 0 326.190 2.698 20 30 EFEDRM C=CC[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC001256551033 1315955966 /nfs/dbraw/zinc/95/59/66/1315955966.db2.gz MRKCZJIMGMRVGI-QGZVFWFLSA-N -1 0 339.391 2.802 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C#N)cc1C#N ZINC001256723231 1315985097 /nfs/dbraw/zinc/98/50/97/1315985097.db2.gz XTCGVTSFSZJAIX-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2Br)n1 ZINC001257327676 1316056829 /nfs/dbraw/zinc/05/68/29/1316056829.db2.gz YIDQNPYEYMHHMY-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CN(C)Cc1cnc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC001257399139 1316062363 /nfs/dbraw/zinc/06/23/63/1316062363.db2.gz MRHQONYCWNFLMJ-FPLPWBNLSA-N -1 0 330.409 2.728 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)cn1 ZINC001257433013 1316065473 /nfs/dbraw/zinc/06/54/73/1316065473.db2.gz IGROATWVRRMCBN-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnnc3ccc(Cl)cc23)cc1 ZINC001258045831 1316115052 /nfs/dbraw/zinc/11/50/52/1316115052.db2.gz XTPZCHPFTBKPIO-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COC(=O)c1c(C)scc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258045567 1316115198 /nfs/dbraw/zinc/11/51/98/1316115198.db2.gz NHSGALAMIWUXIJ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)cc1 ZINC001258053298 1316115612 /nfs/dbraw/zinc/11/56/12/1316115612.db2.gz ATVWLNJGBOBRNV-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC001258116244 1316119763 /nfs/dbraw/zinc/11/97/63/1316119763.db2.gz GEVFIMZDPPRJJP-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnc(C(F)(F)F)c1 ZINC001258196256 1316130804 /nfs/dbraw/zinc/13/08/04/1316130804.db2.gz CKOJMNGMKIADLW-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258208155 1316131385 /nfs/dbraw/zinc/13/13/85/1316131385.db2.gz JZEISBPWFITYQG-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC001258208412 1316131523 /nfs/dbraw/zinc/13/15/23/1316131523.db2.gz OGKMONCUFLKDAR-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccncn2)cs1 ZINC001258207993 1316131645 /nfs/dbraw/zinc/13/16/45/1316131645.db2.gz FLVOSSMUFFNESY-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)nc1 ZINC001258208097 1316131652 /nfs/dbraw/zinc/13/16/52/1316131652.db2.gz HRAKVLRTUUGBLX-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnc(OC(F)(F)F)c1 ZINC001258214735 1316131783 /nfs/dbraw/zinc/13/17/83/1316131783.db2.gz QQFAIFYICCPMAR-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1cccc(-n2nccc2[N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258214376 1316132079 /nfs/dbraw/zinc/13/20/79/1316132079.db2.gz BSXFALMRWJMHTL-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1OC(F)(F)F ZINC001258214931 1316132083 /nfs/dbraw/zinc/13/20/83/1316132083.db2.gz VFOJJPXHXWTYTQ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258278772 1316135810 /nfs/dbraw/zinc/13/58/10/1316135810.db2.gz FSAHLWLGTBMKEC-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC001258283254 1316136197 /nfs/dbraw/zinc/13/61/97/1316136197.db2.gz MUUQSFPIIJSHAX-UHFFFAOYSA-N -1 0 326.377 2.878 20 30 EFEDRM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001258283348 1316136454 /nfs/dbraw/zinc/13/64/54/1316136454.db2.gz RSXNQMCBAMUFBS-LBPRGKRZSA-N -1 0 344.392 2.636 20 30 EFEDRM COc1cc(C(C)=O)c([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC001258290455 1316137584 /nfs/dbraw/zinc/13/75/84/1316137584.db2.gz RUPZCWGYFZGVQZ-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001258933258 1316193551 /nfs/dbraw/zinc/19/35/51/1316193551.db2.gz YIKCCXJUOQDKCP-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(OC)c1 ZINC001258951903 1316196468 /nfs/dbraw/zinc/19/64/68/1316196468.db2.gz IVZQCBGZQVGLAL-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(OC)c1 ZINC001258959209 1316197374 /nfs/dbraw/zinc/19/73/74/1316197374.db2.gz NYIZJODNJPYOGJ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC001259034171 1316199807 /nfs/dbraw/zinc/19/98/07/1316199807.db2.gz AUGCDYBQBZABGW-ZDUSSCGKSA-N -1 0 326.299 2.647 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(Cl)c1 ZINC001259035029 1316200268 /nfs/dbraw/zinc/20/02/68/1316200268.db2.gz YIBLFKGJFHJYBI-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259040385 1316201122 /nfs/dbraw/zinc/20/11/22/1316201122.db2.gz GKKFSJPKRPOUFN-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC001259063956 1316203278 /nfs/dbraw/zinc/20/32/78/1316203278.db2.gz BMULICGWDWOGMZ-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259062480 1316203353 /nfs/dbraw/zinc/20/33/53/1316203353.db2.gz JUWYDXZMKWMFDH-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259068943 1316204141 /nfs/dbraw/zinc/20/41/41/1316204141.db2.gz CAQIVANEFJJPTM-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259084379 1316206830 /nfs/dbraw/zinc/20/68/30/1316206830.db2.gz UPGKQMIUUOSPNR-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091032 1316207436 /nfs/dbraw/zinc/20/74/36/1316207436.db2.gz LWXCQMQQECNKTI-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C#N)c1 ZINC001259090889 1316207519 /nfs/dbraw/zinc/20/75/19/1316207519.db2.gz CXGKYHLWEAUBQP-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090747 1316207832 /nfs/dbraw/zinc/20/78/32/1316207832.db2.gz SJDSJTURKZQGNH-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1ccc(F)c(F)c1 ZINC001259094090 1316208009 /nfs/dbraw/zinc/20/80/09/1316208009.db2.gz OXLHEVQFVDJKQV-UHFFFAOYSA-N -1 0 343.195 2.736 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C ZINC001259107020 1316210387 /nfs/dbraw/zinc/21/03/87/1316210387.db2.gz YSZCXTUCQFEQQT-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)c(Cl)c1 ZINC001259107641 1316210648 /nfs/dbraw/zinc/21/06/48/1316210648.db2.gz JGEQFOCWKXWBJP-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)c(Cl)c1 ZINC001259114310 1316211123 /nfs/dbraw/zinc/21/11/23/1316211123.db2.gz UBURGAVEBMEPCC-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1CO ZINC001259113695 1316211285 /nfs/dbraw/zinc/21/12/85/1316211285.db2.gz XPVYOVIIDSLUQW-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)c1 ZINC001259118480 1316211616 /nfs/dbraw/zinc/21/16/16/1316211616.db2.gz ILABFWHCLOCAHZ-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC001259157231 1316214152 /nfs/dbraw/zinc/21/41/52/1316214152.db2.gz QLSOMZBJIODCRG-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2C#N)cc1 ZINC001259172136 1316214878 /nfs/dbraw/zinc/21/48/78/1316214878.db2.gz AJVVQESRJITKLZ-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2OC)c1C#N ZINC001259205017 1316220392 /nfs/dbraw/zinc/22/03/92/1316220392.db2.gz DEKRISFBZXMPDU-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cn1 ZINC001259226279 1316221723 /nfs/dbraw/zinc/22/17/23/1316221723.db2.gz OBRYRHZJWIJUKU-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccccn1 ZINC001259288273 1316225587 /nfs/dbraw/zinc/22/55/87/1316225587.db2.gz HUOAKWKYKYWMJP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccn2)c(C(F)(F)F)c1 ZINC001259287964 1316225598 /nfs/dbraw/zinc/22/55/98/1316225598.db2.gz RDVPKJBVVKISDC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccccn2)c1Br ZINC001259289568 1316225967 /nfs/dbraw/zinc/22/59/67/1316225967.db2.gz NASZRSGILDNJPN-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1F ZINC001259312542 1316228989 /nfs/dbraw/zinc/22/89/89/1316228989.db2.gz QMZZJQIGUVJHML-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC001259332093 1316230975 /nfs/dbraw/zinc/23/09/75/1316230975.db2.gz FQRNOFNTTIMDPL-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259412380 1316239330 /nfs/dbraw/zinc/23/93/30/1316239330.db2.gz FGYVHRXLPGBUFH-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259413605 1316239973 /nfs/dbraw/zinc/23/99/73/1316239973.db2.gz RCMYIAJCDSWMDH-UHFFFAOYSA-N -1 0 348.403 2.803 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418833 1316240237 /nfs/dbraw/zinc/24/02/37/1316240237.db2.gz UAJSOUKEYZIWNF-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)ccc1F ZINC001259418629 1316240403 /nfs/dbraw/zinc/24/04/03/1316240403.db2.gz IOBDSBVMAYGCGK-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c1C#N ZINC001259425630 1316241859 /nfs/dbraw/zinc/24/18/59/1316241859.db2.gz XVQPZZYGSHXNOI-UHFFFAOYSA-N -1 0 328.296 2.862 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)c(C#N)c1 ZINC001259432132 1316242622 /nfs/dbraw/zinc/24/26/22/1316242622.db2.gz DDJUSWGSMHXYLG-UHFFFAOYSA-N -1 0 349.318 2.832 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1C#N ZINC001259440198 1316243610 /nfs/dbraw/zinc/24/36/10/1316243610.db2.gz NTNPMVQWWYEIRI-UHFFFAOYSA-N -1 0 328.296 2.862 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(O)cc1F ZINC001259469628 1316247425 /nfs/dbraw/zinc/24/74/25/1316247425.db2.gz VBLZZYCWJPCHNR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)cc1F ZINC001259474169 1316248346 /nfs/dbraw/zinc/24/83/46/1316248346.db2.gz LPCBDQRHOFJLDO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001259490364 1316250583 /nfs/dbraw/zinc/25/05/83/1316250583.db2.gz MZJRLOSWLBFYJH-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259496068 1316251529 /nfs/dbraw/zinc/25/15/29/1316251529.db2.gz ACAWWIDPZJWJNP-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C#N)c1C ZINC001259495393 1316251676 /nfs/dbraw/zinc/25/16/76/1316251676.db2.gz LLRCEOLXIGWYNN-UHFFFAOYSA-N -1 0 330.287 2.986 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(O)cc1F ZINC001259512334 1316254120 /nfs/dbraw/zinc/25/41/20/1316254120.db2.gz YXQHLXLSDITVCI-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccnc1 ZINC001259607442 1316260907 /nfs/dbraw/zinc/26/09/07/1316260907.db2.gz VUGYSOBBEBJXIW-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)CCc2ccccc2)c1C#N ZINC001259733117 1316269209 /nfs/dbraw/zinc/26/92/09/1316269209.db2.gz GDHSUJOFGSHLGY-UHFFFAOYSA-N -1 0 335.816 2.900 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259754689 1316273103 /nfs/dbraw/zinc/27/31/03/1316273103.db2.gz CGZYDCFEZDXLDB-UHFFFAOYSA-N -1 0 339.779 2.730 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259760410 1316274231 /nfs/dbraw/zinc/27/42/31/1316274231.db2.gz CNRCUTVWYSRJBF-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761472 1316274488 /nfs/dbraw/zinc/27/44/88/1316274488.db2.gz FJZQRYAONDLJKW-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761563 1316274496 /nfs/dbraw/zinc/27/44/96/1316274496.db2.gz JRLHVMYZSQKELH-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)CCc2ccccc2F)c1 ZINC001259786435 1316278462 /nfs/dbraw/zinc/27/84/62/1316278462.db2.gz VEIZNRPQBGNEQN-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1ncc(Br)cc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259808809 1316282270 /nfs/dbraw/zinc/28/22/70/1316282270.db2.gz GLXXLEYPUMWVSM-UHFFFAOYSA-N -1 0 344.234 2.790 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2oc(-c3ccccc3)cc2C#N)cn1 ZINC001259832450 1316284728 /nfs/dbraw/zinc/28/47/28/1316284728.db2.gz DFGDPODHQFBTEQ-UHFFFAOYSA-N -1 0 342.380 2.835 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2C#N)cn1 ZINC001259838814 1316285693 /nfs/dbraw/zinc/28/56/93/1316285693.db2.gz KKHOEUPKLKNOCU-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259844559 1316286288 /nfs/dbraw/zinc/28/62/88/1316286288.db2.gz XYYBZFLUEKWDHI-UHFFFAOYSA-N -1 0 342.332 2.834 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C#N)c1 ZINC001259860743 1316288216 /nfs/dbraw/zinc/28/82/16/1316288216.db2.gz LFKPMNXNLJODLA-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001259922589 1316298160 /nfs/dbraw/zinc/29/81/60/1316298160.db2.gz NRLXNSHLNXSRBH-SNVBAGLBSA-N -1 0 343.470 2.977 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259997912 1316304576 /nfs/dbraw/zinc/30/45/76/1316304576.db2.gz WJPCZAHVLAVPHU-UHFFFAOYSA-N -1 0 347.377 2.781 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260005024 1316305056 /nfs/dbraw/zinc/30/50/56/1316305056.db2.gz MDLKQZWREPPVRY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1ccccc1C ZINC001260022686 1316307978 /nfs/dbraw/zinc/30/79/78/1316307978.db2.gz JDKDZAYULAGTJO-UHFFFAOYSA-N -1 0 334.372 2.956 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC001260026604 1316308865 /nfs/dbraw/zinc/30/88/65/1316308865.db2.gz BLPJIZFYLKQPMD-UHFFFAOYSA-N -1 0 345.302 2.815 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001260062792 1316312418 /nfs/dbraw/zinc/31/24/18/1316312418.db2.gz WHZXGMBUZGTTLS-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)cnc1C#N ZINC001260129249 1316317691 /nfs/dbraw/zinc/31/76/91/1316317691.db2.gz UFKZSDNINGYYLW-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C#N)cnc1C ZINC001260129757 1316317817 /nfs/dbraw/zinc/31/78/17/1316317817.db2.gz RDNNUACXGFSOOR-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(Oc2ccccn2)cc1 ZINC001260140278 1316318958 /nfs/dbraw/zinc/31/89/58/1316318958.db2.gz NVZMWHJMRBGNLF-UHFFFAOYSA-N -1 0 342.336 2.534 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)c1 ZINC001260195525 1316322235 /nfs/dbraw/zinc/32/22/35/1316322235.db2.gz DJNWFVBHWCSVTL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM O=C(/C=C/[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl)C(F)(F)F ZINC001260287949 1316328917 /nfs/dbraw/zinc/32/89/17/1316328917.db2.gz STWISUBCDAVCQP-OWOJBTEDSA-N -1 0 349.664 2.542 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC001260296588 1316329769 /nfs/dbraw/zinc/32/97/69/1316329769.db2.gz AEMDTDXKWLMVDG-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cccc(F)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001260353429 1316333490 /nfs/dbraw/zinc/33/34/90/1316333490.db2.gz UIBZPNVGYQGGCV-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC001260355489 1316333941 /nfs/dbraw/zinc/33/39/41/1316333941.db2.gz YBBRARVVSLXSMA-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc(CNS(=O)(=O)c2c(F)cc(F)cc2F)cs1 ZINC001260358098 1316334647 /nfs/dbraw/zinc/33/46/47/1316334647.db2.gz XANNOWKEHZRNIR-UHFFFAOYSA-N -1 0 332.328 2.516 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366096 1316335222 /nfs/dbraw/zinc/33/52/22/1316335222.db2.gz MQPYBRKWDVXLGY-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260388197 1316336487 /nfs/dbraw/zinc/33/64/87/1316336487.db2.gz ZCFGKHUADGNZBA-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260388175 1316336632 /nfs/dbraw/zinc/33/66/32/1316336632.db2.gz YBAGRVGEMRFPCG-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260436176 1316338347 /nfs/dbraw/zinc/33/83/47/1316338347.db2.gz QMQVLZMLYNBDCJ-UHFFFAOYSA-N -1 0 340.320 2.641 20 30 EFEDRM N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260440994 1316338637 /nfs/dbraw/zinc/33/86/37/1316338637.db2.gz FYIDMNSDCCCPBC-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260441055 1316339056 /nfs/dbraw/zinc/33/90/56/1316339056.db2.gz KORHMOWZQCBMRO-UHFFFAOYSA-N -1 0 334.744 2.549 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260451754 1316339994 /nfs/dbraw/zinc/33/99/94/1316339994.db2.gz XHXZFKVXSUKQQN-UHFFFAOYSA-N -1 0 344.323 2.605 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1 ZINC001260496671 1316342251 /nfs/dbraw/zinc/34/22/51/1316342251.db2.gz ONWGJYUOUDTVGN-UHFFFAOYSA-N -1 0 342.298 2.762 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)cn1C ZINC001260541679 1316344589 /nfs/dbraw/zinc/34/45/89/1316344589.db2.gz IXHCQOZYJWFNIT-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2)cc1 ZINC001260573415 1316347611 /nfs/dbraw/zinc/34/76/11/1316347611.db2.gz BXHMQXQLMRXLON-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260621741 1316349325 /nfs/dbraw/zinc/34/93/25/1316349325.db2.gz YUVYYFXKUZSUAV-UHFFFAOYSA-N -1 0 336.392 2.591 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1C ZINC001260634159 1316351582 /nfs/dbraw/zinc/35/15/82/1316351582.db2.gz SGBZILZGRGJBJM-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1scc(C)c1C#N ZINC001260642862 1316353233 /nfs/dbraw/zinc/35/32/33/1316353233.db2.gz JKJDXEJWOAIDIZ-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2ccccc2Cl)SCC1=O ZINC001260690108 1316359408 /nfs/dbraw/zinc/35/94/08/1316359408.db2.gz LDSBQXFHBVAKMM-UHFFFAOYSA-N -1 0 328.802 2.921 20 30 EFEDRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccnc3C#N)ccc2O1 ZINC001260713084 1316362064 /nfs/dbraw/zinc/36/20/64/1316362064.db2.gz PVVGIGWSGQWQPM-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)ccc1F ZINC001260763696 1316365816 /nfs/dbraw/zinc/36/58/16/1316365816.db2.gz WMCWUNVZJLSVIE-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ncc(C)cc1C#N ZINC001260765507 1316366244 /nfs/dbraw/zinc/36/62/44/1316366244.db2.gz MFRRBQLJXBDDEK-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cnc(C#N)c(C)c1 ZINC001260766197 1316366373 /nfs/dbraw/zinc/36/63/73/1316366373.db2.gz LAMDXYNECXKICJ-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)C ZINC001260765930 1316366458 /nfs/dbraw/zinc/36/64/58/1316366458.db2.gz XANUNZZIPNTGNH-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(C)ccnc1C#N ZINC001260766234 1316366575 /nfs/dbraw/zinc/36/65/75/1316366575.db2.gz NBEJJSHULACXRN-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC001260808955 1316370281 /nfs/dbraw/zinc/37/02/81/1316370281.db2.gz ADDQWFLLYJOMHC-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)c1 ZINC001260811366 1316370621 /nfs/dbraw/zinc/37/06/21/1316370621.db2.gz NOCODEOZSTUBTF-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260818737 1316371729 /nfs/dbraw/zinc/37/17/29/1316371729.db2.gz TWMIZIZHOGIGGP-UHFFFAOYSA-N -1 0 342.207 2.707 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C#N ZINC001260827184 1316371935 /nfs/dbraw/zinc/37/19/35/1316371935.db2.gz DWQUCQFDEMLHLT-UHFFFAOYSA-N -1 0 327.818 2.919 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC001260828815 1316371953 /nfs/dbraw/zinc/37/19/53/1316371953.db2.gz CHQPDTRJEJWJLD-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC001260828511 1316372003 /nfs/dbraw/zinc/37/20/03/1316372003.db2.gz NAWULLGMJMUYOI-UHFFFAOYSA-N -1 0 338.820 2.931 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2cccc(Cl)c2)SCC1=O ZINC001260828501 1316372138 /nfs/dbraw/zinc/37/21/38/1316372138.db2.gz MNMXTIVONNMONB-UHFFFAOYSA-N -1 0 328.802 2.921 20 30 EFEDRM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260953958 1316377866 /nfs/dbraw/zinc/37/78/66/1316377866.db2.gz BEKZMMMTSQVIFN-UHFFFAOYSA-N -1 0 348.384 2.950 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)cnc2C)cc1Cl ZINC001260967715 1316378740 /nfs/dbraw/zinc/37/87/40/1316378740.db2.gz DFNTWVFNIPTJBA-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C#N)cc1Cl ZINC001260967633 1316378829 /nfs/dbraw/zinc/37/88/29/1316378829.db2.gz AJLOMSFQQDMZPM-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)cc1Cl ZINC001260972575 1316379203 /nfs/dbraw/zinc/37/92/03/1316379203.db2.gz STIACDBINXVHLX-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(O)c1 ZINC001260982339 1316380849 /nfs/dbraw/zinc/38/08/49/1316380849.db2.gz IMMGYKBOZFYUQM-UHFFFAOYSA-N -1 0 328.393 2.943 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C)c(C#N)c1 ZINC001260999706 1316383386 /nfs/dbraw/zinc/38/33/86/1316383386.db2.gz ZQZZPUAPZUDNOL-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC001261015389 1316384875 /nfs/dbraw/zinc/38/48/75/1316384875.db2.gz RSZGAIWVSBTADR-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1C(F)(F)F ZINC001261029704 1316386093 /nfs/dbraw/zinc/38/60/93/1316386093.db2.gz NTQCCICPLATKBT-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261071042 1316387890 /nfs/dbraw/zinc/38/78/90/1316387890.db2.gz JBHBAHMREJDCHY-UHFFFAOYSA-N -1 0 333.756 2.658 20 30 EFEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072991 1316388401 /nfs/dbraw/zinc/38/84/01/1316388401.db2.gz MBMVTYRNQHNNQL-UHFFFAOYSA-N -1 0 348.771 2.743 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001261078159 1316388794 /nfs/dbraw/zinc/38/87/94/1316388794.db2.gz ZOCILCJPTJFKNV-UHFFFAOYSA-N -1 0 342.207 2.707 20 30 EFEDRM Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC2(CC2)c2ccccc21 ZINC001262865293 1316497846 /nfs/dbraw/zinc/49/78/46/1316497846.db2.gz GQKDVAUQCSAWAS-UHFFFAOYSA-N -1 0 344.378 2.638 20 30 EFEDRM CCN(Cc1cccs1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001262865231 1316497938 /nfs/dbraw/zinc/49/79/38/1316497938.db2.gz DLIYBRJLCXFNEJ-UHFFFAOYSA-N -1 0 340.412 2.542 20 30 EFEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n(C)n1 ZINC001263291185 1316527618 /nfs/dbraw/zinc/52/76/18/1316527618.db2.gz OQMGFZKAQCFOCE-GFCCVEGCSA-N -1 0 334.383 2.559 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cn1 ZINC001263294348 1316528336 /nfs/dbraw/zinc/52/83/36/1316528336.db2.gz TYZFYIFNESTESH-CYBMUJFWSA-N -1 0 346.394 2.790 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C ZINC001263292619 1316528412 /nfs/dbraw/zinc/52/84/12/1316528412.db2.gz MYVNQTPNXUAQAY-CQSZACIVSA-N -1 0 326.400 2.592 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263323634 1316530495 /nfs/dbraw/zinc/53/04/95/1316530495.db2.gz VOMPYHARRIMWKG-MNOVXSKESA-N -1 0 335.433 2.545 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N1CCCC[C@@H](SC)C1 ZINC001263323149 1316530718 /nfs/dbraw/zinc/53/07/18/1316530718.db2.gz HSSPZMAWLLXVIN-GFCCVEGCSA-N -1 0 349.460 2.937 20 30 EFEDRM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001263386577 1316540504 /nfs/dbraw/zinc/54/05/04/1316540504.db2.gz XOZUBHGBXLSJEK-GHMZBOCLSA-N -1 0 331.372 2.980 20 30 EFEDRM CC1=CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC(C)C)C1 ZINC001263415017 1316542535 /nfs/dbraw/zinc/54/25/35/1316542535.db2.gz PTXMBHPPFHTGIE-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001263771843 1316560842 /nfs/dbraw/zinc/56/08/42/1316560842.db2.gz UGZOICXYBWKMGM-OAHLLOKOSA-N -1 0 329.400 2.630 20 30 EFEDRM COc1nc(Cl)c(/C=C/C(=O)c2cc(F)cc(F)c2[O-])n1C ZINC001319075143 1328775957 /nfs/dbraw/zinc/77/59/57/1328775957.db2.gz MVEJVXFBGNTHCD-ONEGZZNKSA-N -1 0 328.702 2.962 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CC#Cc2ccccc2)n1 ZINC001319332675 1328855519 /nfs/dbraw/zinc/85/55/19/1328855519.db2.gz GEJRVNGQNNSVHR-HNNXBMFYSA-N -1 0 338.388 2.613 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001334276202 1321980785 /nfs/dbraw/zinc/98/07/85/1321980785.db2.gz IUQJWOJYKCPSSZ-UHFFFAOYSA-N -1 0 346.246 2.856 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001292110057 1322038559 /nfs/dbraw/zinc/03/85/59/1322038559.db2.gz QWUWXXJGHNYZNY-UHFFFAOYSA-N -1 0 338.323 2.840 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc(F)c3[O-])n2)c1 ZINC001294847190 1322580287 /nfs/dbraw/zinc/58/02/87/1322580287.db2.gz GIRVOLRVCFXMII-UHFFFAOYSA-N -1 0 336.326 2.723 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1sc2cccc(F)c2c1C ZINC001320435188 1329130437 /nfs/dbraw/zinc/13/04/37/1329130437.db2.gz WTYHBWHLPVSDKU-UHFFFAOYSA-N -1 0 343.401 2.610 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001321111231 1329344498 /nfs/dbraw/zinc/34/44/98/1329344498.db2.gz PZHHMBFMTSLSBE-UWVGGRQHSA-N -1 0 325.434 2.830 20 30 EFEDRM C=CC[C@@H](NC(=O)/C=C(\C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001321206775 1329356536 /nfs/dbraw/zinc/35/65/36/1329356536.db2.gz RSMNKLVDKCPFMU-BZYZDCJZSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC001321207481 1329356640 /nfs/dbraw/zinc/35/66/40/1329356640.db2.gz ZFPJKKBAKKZUHQ-JTQLQIEISA-N -1 0 338.157 2.954 20 30 EFEDRM C=CC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1CC)C(=O)[O-] ZINC001321167366 1329351577 /nfs/dbraw/zinc/35/15/77/1329351577.db2.gz VKSKXLDHGOLZQY-AWEZNQCLSA-N -1 0 347.802 2.847 20 30 EFEDRM C=CC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001321167046 1329351820 /nfs/dbraw/zinc/35/18/20/1329351820.db2.gz OYPCKYUOGPFNIG-AWEZNQCLSA-N -1 0 330.409 2.807 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1CCC)C(=O)[O-] ZINC001321340248 1329375127 /nfs/dbraw/zinc/37/51/27/1329375127.db2.gz NBMFVCMBSVRCSU-MRXNPFEDSA-N -1 0 341.411 2.643 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)[O-] ZINC001321657531 1329401660 /nfs/dbraw/zinc/40/16/60/1329401660.db2.gz ISOMBYNSSWHTIX-AWEZNQCLSA-N -1 0 337.803 2.534 20 30 EFEDRM CCOC(=O)COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1 ZINC001322495585 1329462879 /nfs/dbraw/zinc/46/28/79/1329462879.db2.gz PTWGYELCOLBMLR-YHYXMXQVSA-N -1 0 342.347 2.936 20 30 EFEDRM Cc1ccc2c(c1)oc(C(C)N=Nc1ccn(C)n1)c2CC(=O)[O-] ZINC001324258939 1329611867 /nfs/dbraw/zinc/61/18/67/1329611867.db2.gz VKYYWXOFDVHXEQ-UHFFFAOYSA-N -1 0 326.356 2.938 20 30 EFEDRM COc1nc(Cl)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)n1C ZINC001326235159 1329740703 /nfs/dbraw/zinc/74/07/03/1329740703.db2.gz WUUUFEQQSLENQY-UHFFFAOYSA-N -1 0 343.170 2.880 20 30 EFEDRM CN(C)c1ncccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001326683353 1330347250 /nfs/dbraw/zinc/34/72/50/1330347250.db2.gz BRORYULQCPFYPF-HJWRWDBZSA-N -1 0 326.352 2.507 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001326735409 1330355886 /nfs/dbraw/zinc/35/58/86/1330355886.db2.gz GMQQQUAVCHTVJP-HNNXBMFYSA-N -1 0 343.383 2.603 20 30 EFEDRM C=CC[C@@H](NC(=O)NC[C@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC001326930565 1330385532 /nfs/dbraw/zinc/38/55/32/1330385532.db2.gz LEYNCIHEHAXZEF-WCQYABFASA-N -1 0 340.807 2.826 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(OCCOC)c(Cl)c1)C(=O)[O-] ZINC001326931007 1330385539 /nfs/dbraw/zinc/38/55/39/1330385539.db2.gz OYVSUKVYMRVALO-GFCCVEGCSA-N -1 0 342.779 2.516 20 30 EFEDRM Nc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(Cl)c1 ZINC001327706389 1330510959 /nfs/dbraw/zinc/51/09/59/1330510959.db2.gz NBKIPMVFSOFJQR-UHFFFAOYSA-N -1 0 330.800 2.803 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)/C=C\Sc1ccccc1 ZINC001328917257 1330646503 /nfs/dbraw/zinc/64/65/03/1330646503.db2.gz QZJWMRZKKPEADI-KHPPLWFESA-N -1 0 344.417 2.669 20 30 EFEDRM C#C[C@@H](C)N(C)c1nnc(-c2cc(Cl)c([O-])c(Cl)c2)n1C ZINC001337955136 1331621417 /nfs/dbraw/zinc/62/14/17/1331621417.db2.gz GBULSBBWQWXVMJ-MRVPVSSYSA-N -1 0 325.199 2.952 20 30 EFEDRM C[C@@H](CN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C)c1ccccc1 ZINC001338206895 1331672415 /nfs/dbraw/zinc/67/24/15/1331672415.db2.gz YUEJKHUDSFGNED-ZDUSSCGKSA-N -1 0 348.410 2.694 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001338851862 1331747041 /nfs/dbraw/zinc/74/70/41/1331747041.db2.gz OJAZKJYEUHHWJZ-OLZOCXBDSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cnc(C3CC3)[nH]c2=O)nnc1N1CCC[C@@H](C)C1 ZINC001338862243 1331749006 /nfs/dbraw/zinc/74/90/06/1331749006.db2.gz CKNSOYYZSJQXMJ-GFCCVEGCSA-N -1 0 340.431 2.740 20 30 EFEDRM C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001338963206 1331762084 /nfs/dbraw/zinc/76/20/84/1331762084.db2.gz HVICGCGMGDJOSI-CQSZACIVSA-N -1 0 340.431 2.643 20 30 EFEDRM C=C(C)CN(C)c1nnc(-c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1C ZINC001339180701 1331810035 /nfs/dbraw/zinc/81/00/35/1331810035.db2.gz YVVAENOTBXPAIX-UHFFFAOYSA-N -1 0 337.767 2.762 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001339567763 1331901572 /nfs/dbraw/zinc/90/15/72/1331901572.db2.gz PSIHZHOTIHWXHM-DGCLKSJQSA-N -1 0 341.371 2.591 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(Cl)cc1OCC)C(=O)[O-] ZINC001339754058 1331951071 /nfs/dbraw/zinc/95/10/71/1331951071.db2.gz JRXVPFKDGTWSJW-GFCCVEGCSA-N -1 0 326.780 2.567 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H](CC)C1 ZINC001340207531 1332153865 /nfs/dbraw/zinc/15/38/65/1332153865.db2.gz SVAGHMPRKBLQTA-CYBMUJFWSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001340296509 1332169249 /nfs/dbraw/zinc/16/92/49/1332169249.db2.gz DEBCXHFJCOGMEN-UHFFFAOYSA-N -1 0 329.360 2.591 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CCC1CC1 ZINC001340332162 1332175917 /nfs/dbraw/zinc/17/59/17/1332175917.db2.gz VOXOFBNONCIERT-UHFFFAOYSA-N -1 0 330.436 2.680 20 30 EFEDRM C=CC[C@H]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])c([O-])c3)n2C)C1 ZINC001341371539 1332254561 /nfs/dbraw/zinc/25/45/61/1332254561.db2.gz KYUGHYHFHHROQG-LBPRGKRZSA-N -1 0 343.387 2.888 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001342027380 1332296452 /nfs/dbraw/zinc/29/64/52/1332296452.db2.gz YEFVGNYRZXTPFU-STQMWFEESA-N -1 0 330.436 2.535 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001342027377 1332296503 /nfs/dbraw/zinc/29/65/03/1332296503.db2.gz YEFVGNYRZXTPFU-QWHCGFSZSA-N -1 0 330.436 2.535 20 30 EFEDRM Cn1ccnc1[C@@H](C#N)C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC001342173246 1332312982 /nfs/dbraw/zinc/31/29/82/1332312982.db2.gz KYDNJUFAALYCRB-HNNXBMFYSA-N -1 0 331.379 2.973 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC2(CC2)C1 ZINC001342247600 1332323509 /nfs/dbraw/zinc/32/35/09/1332323509.db2.gz LUJPVQLHNZOWIU-UHFFFAOYSA-N -1 0 342.447 2.824 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN1CCSC1=O ZINC001342548111 1332333221 /nfs/dbraw/zinc/33/32/21/1332333221.db2.gz IGMYORHHZHLKLK-LBPRGKRZSA-N -1 0 341.392 2.537 20 30 EFEDRM CCc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC3CC3)cs2)cc1 ZINC001342603722 1332334311 /nfs/dbraw/zinc/33/43/11/1332334311.db2.gz ATHGFGRKAMAXFK-AWEZNQCLSA-N -1 0 339.420 2.974 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nccn3C)cs2)n1C ZINC001343705234 1332371657 /nfs/dbraw/zinc/37/16/57/1332371657.db2.gz OPTNVIQBQYAIRV-NSHDSACASA-N -1 0 325.397 2.681 20 30 EFEDRM Cc1cnc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)c1 ZINC001344403658 1332450184 /nfs/dbraw/zinc/45/01/84/1332450184.db2.gz XEVXKQIKMXWYBH-OAHLLOKOSA-N -1 0 341.798 2.991 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCOc1ccc2ccccc2c1)C(=O)[O-] ZINC001344464492 1332455703 /nfs/dbraw/zinc/45/57/03/1332455703.db2.gz KMDYUEPHMONPEM-KRWDZBQOSA-N -1 0 342.395 2.937 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001344553298 1332463048 /nfs/dbraw/zinc/46/30/48/1332463048.db2.gz BCCQWEGLUYHTGN-NSHDSACASA-N -1 0 331.290 2.663 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc([N+](=O)[O-])c1 ZINC001344557577 1332463245 /nfs/dbraw/zinc/46/32/45/1332463245.db2.gz KDWYGEXHKPSMMB-AWEZNQCLSA-N -1 0 347.334 2.919 20 30 EFEDRM CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC001344572927 1332463989 /nfs/dbraw/zinc/46/39/89/1332463989.db2.gz ZBGSZVFQDVRGAB-HOCLYGCPSA-N -1 0 338.411 2.801 20 30 EFEDRM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C1 ZINC001344849752 1332487575 /nfs/dbraw/zinc/48/75/75/1332487575.db2.gz BSUDUKAQZSECSC-AAEUAGOBSA-N -1 0 331.379 2.968 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001345108627 1332509711 /nfs/dbraw/zinc/50/97/11/1332509711.db2.gz VSASWEPHMSKHRP-XQQFMLRXSA-N -1 0 325.311 2.537 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001345108629 1332509854 /nfs/dbraw/zinc/50/98/54/1332509854.db2.gz VSASWEPHMSKHRP-YNEHKIRRSA-N -1 0 325.311 2.537 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccnc1OC)c1ccccc1 ZINC001345871540 1332580275 /nfs/dbraw/zinc/58/02/75/1332580275.db2.gz DQQIVPBKBRXOLX-JKSUJKDBSA-N -1 0 337.379 2.680 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)N[C@@H](CC)c1ccccc1 ZINC001345874653 1332580478 /nfs/dbraw/zinc/58/04/78/1332580478.db2.gz VCDUMOPZRWKHJR-KBPBESRZSA-N -1 0 325.368 2.827 20 30 EFEDRM C=C(C)Cn1c(-c2cc(=O)[nH]c(C)n2)nnc1N(C)C1CC(C)(C)C1 ZINC001345973536 1332589319 /nfs/dbraw/zinc/58/93/19/1332589319.db2.gz IVXNPBKMYJLKTD-UHFFFAOYSA-N -1 0 342.447 2.950 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2 ZINC001346121892 1332601149 /nfs/dbraw/zinc/60/11/49/1332601149.db2.gz NFXCIHXYXQUMJP-AWEZNQCLSA-N -1 0 330.432 2.628 20 30 EFEDRM C=C(C)Cn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC=CCC1 ZINC001346450491 1332642657 /nfs/dbraw/zinc/64/26/57/1332642657.db2.gz FVECBXROJMJVPY-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM C[C@@H](C#N)NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001346850850 1332695946 /nfs/dbraw/zinc/69/59/46/1332695946.db2.gz KGSTXLUMAYLDQA-YFKPBYRVSA-N -1 0 347.994 2.559 20 30 EFEDRM CSc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC001347587060 1332758407 /nfs/dbraw/zinc/75/84/07/1332758407.db2.gz MYDIMOFTTTVSTH-CQSZACIVSA-N -1 0 327.409 2.666 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001348023680 1332793800 /nfs/dbraw/zinc/79/38/00/1332793800.db2.gz KUWASPIOGWUTNV-NSHDSACASA-N -1 0 334.269 2.673 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001352013113 1333352219 /nfs/dbraw/zinc/35/22/19/1333352219.db2.gz IYEZNWINWWGAFG-OLZOCXBDSA-N -1 0 338.415 2.586 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001352013120 1333352249 /nfs/dbraw/zinc/35/22/49/1333352249.db2.gz IYEZNWINWWGAFG-STQMWFEESA-N -1 0 338.415 2.586 20 30 EFEDRM CC(C)c1ccc(NC(=S)NN=Cc2c(C(=O)[O-])cnn2C)cc1 ZINC000848400303 1334707149 /nfs/dbraw/zinc/70/71/49/1334707149.db2.gz GEBFDFVHWSMFAY-UHFFFAOYSA-N -1 0 345.428 2.562 20 30 EFEDRM O=C([O-])Cc1ccc(N=NC2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000848415191 1334712778 /nfs/dbraw/zinc/71/27/78/1334712778.db2.gz IWQRSQCECIDRKS-UHFFFAOYSA-N -1 0 330.306 2.949 20 30 EFEDRM C[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](n2cncn2)C1 ZINC000848414897 1334712785 /nfs/dbraw/zinc/71/27/85/1334712785.db2.gz TUHHYQHTNVQQJP-BLLLJJGKSA-N -1 0 327.388 2.734 20 30 EFEDRM C[C@@H]1CC(N=Nc2ncc(Br)cn2)CC[C@@H]1C(=O)[O-] ZINC000848420140 1334714459 /nfs/dbraw/zinc/71/44/59/1334714459.db2.gz QNBQMGOUYWHGAE-XCBNKYQSSA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@H]1CC(N=Nc2ncc(Br)cn2)CC[C@@H]1C(=O)[O-] ZINC000848420141 1334714530 /nfs/dbraw/zinc/71/45/30/1334714530.db2.gz QNBQMGOUYWHGAE-XVKPBYJWSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001355889008 1334899051 /nfs/dbraw/zinc/89/90/51/1334899051.db2.gz VPGWNYHDKHZLQR-DZGCQCFKSA-N -1 0 342.447 2.822 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000848951253 1335005562 /nfs/dbraw/zinc/00/55/62/1335005562.db2.gz XTCZGXZNVDWPGK-MGPLVRAMSA-N -1 0 338.791 2.645 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001356276138 1335008551 /nfs/dbraw/zinc/00/85/51/1335008551.db2.gz QMZRCXPBWUGPFG-STQMWFEESA-N -1 0 338.415 2.586 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)nnn1-c1ccc(C)cc1 ZINC001357598668 1335319642 /nfs/dbraw/zinc/31/96/42/1335319642.db2.gz KDSHHJKWJFRIMM-CQSZACIVSA-N -1 0 335.342 2.908 20 30 EFEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1cccc(F)n1 ZINC001357598643 1335319680 /nfs/dbraw/zinc/31/96/80/1335319680.db2.gz JQNFEIKDKKAXFC-VIFPVBQESA-N -1 0 325.328 2.624 20 30 EFEDRM C=CCCSCCNC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000849183789 1335565012 /nfs/dbraw/zinc/56/50/12/1335565012.db2.gz UUEIZCYONHOGCY-UHFFFAOYSA-N -1 0 333.453 2.672 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CC3)c2F)C(=O)O1 ZINC000849241719 1335575193 /nfs/dbraw/zinc/57/51/93/1335575193.db2.gz LTRYREXNZIXMEQ-CDVVCGDMSA-N -1 0 330.311 2.595 20 30 EFEDRM Cn1ncc(C2CC2)c1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000849242894 1335575419 /nfs/dbraw/zinc/57/54/19/1335575419.db2.gz NPDRXFZULDBHPT-FPLPWBNLSA-N -1 0 326.352 2.657 20 30 EFEDRM C=CC[C@@H](NC(=O)CSc1ccc(Br)cc1)C(=O)[O-] ZINC000150244462 1335944106 /nfs/dbraw/zinc/94/41/06/1335944106.db2.gz ROICGLUCPVCFAF-LLVKDONJSA-N -1 0 344.230 2.687 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCSc3ncccc32)cc1C#N ZINC001361340377 1336005721 /nfs/dbraw/zinc/00/57/21/1336005721.db2.gz FADNFJXZYSTXRY-UHFFFAOYSA-N -1 0 344.421 2.528 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(OCC#N)c2)cc1C#N ZINC001361361623 1336025078 /nfs/dbraw/zinc/02/50/78/1336025078.db2.gz GPQSGWPVZMVNSF-UHFFFAOYSA-N -1 0 340.364 2.535 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2NC(C)=O)cc1C#N ZINC001361444728 1336086368 /nfs/dbraw/zinc/08/63/68/1336086368.db2.gz ISWIDHSSQCUOLU-UHFFFAOYSA-N -1 0 342.380 2.591 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccnc2OC(C)C)cc1C#N ZINC001361464904 1336101295 /nfs/dbraw/zinc/10/12/95/1336101295.db2.gz YXOLIQUUWSKHNW-UHFFFAOYSA-N -1 0 344.396 2.815 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1C#N ZINC001361688893 1336273737 /nfs/dbraw/zinc/27/37/37/1336273737.db2.gz KCFLVHAOZWEWGA-JFJFPDHYSA-N -1 0 343.452 2.889 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2ccc(C#N)cc2F)cc1C#N ZINC001361700149 1336281006 /nfs/dbraw/zinc/28/10/06/1336281006.db2.gz AMCKFNLWZMQRJS-UHFFFAOYSA-N -1 0 342.355 2.668 20 30 EFEDRM CSc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)nc1 ZINC001362144121 1336523038 /nfs/dbraw/zinc/52/30/38/1336523038.db2.gz BJYDDPLTYGNGRP-UHFFFAOYSA-N -1 0 332.410 2.750 20 30 EFEDRM CCc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1C(CC)CC ZINC001362612497 1336673643 /nfs/dbraw/zinc/67/36/43/1336673643.db2.gz LZUHAWNLMCYQMZ-UHFFFAOYSA-N -1 0 325.376 2.525 20 30 EFEDRM CC(C)C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)cc1 ZINC001363734797 1337018052 /nfs/dbraw/zinc/01/80/52/1337018052.db2.gz MVTLDYRBDPOSIE-CQSZACIVSA-N -1 0 346.818 2.798 20 30 EFEDRM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C ZINC001364736854 1337200389 /nfs/dbraw/zinc/20/03/89/1337200389.db2.gz XKKNUZTUQXVVQN-ISTVAULSSA-N -1 0 328.384 2.939 20 30 EFEDRM Cc1onc(OC(F)F)c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC001417372942 1372755816 /nfs/dbraw/zinc/75/58/16/1372755816.db2.gz FENRGVWPYASWSE-UHFFFAOYSA-N -1 0 328.662 2.757 20 30 EFEDRM CCCc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC001418238045 1373792429 /nfs/dbraw/zinc/79/24/29/1373792429.db2.gz PLURLHWKIPCEFA-UHFFFAOYSA-N -1 0 335.367 2.707 20 30 EFEDRM Cc1c2ccccc2sc1[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001458309868 1395442929 /nfs/dbraw/zinc/44/29/29/1395442929.db2.gz NMDZGXASXNQTFC-SNVBAGLBSA-N -1 0 340.408 2.642 20 30 EFEDRM CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1F ZINC001469561767 1397038235 /nfs/dbraw/zinc/03/82/35/1397038235.db2.gz XYIMRKGJTMZPOD-UHFFFAOYSA-N -1 0 331.738 2.862 20 30 EFEDRM N#Cc1nc(NC(=O)C2(Cc3ccccc3Cl)CC2)[n-]c1C#N ZINC001469559650 1397038727 /nfs/dbraw/zinc/03/87/27/1397038727.db2.gz BJMUDAMDOHYQND-UHFFFAOYSA-N -1 0 325.759 2.768 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001471868459 1397217582 /nfs/dbraw/zinc/21/75/82/1397217582.db2.gz MQXRKJWUYNZJET-RKNYENMMSA-N -1 0 342.420 2.552 20 30 EFEDRM CCC(CC)CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825106476 1427283562 /nfs/dbraw/zinc/28/35/62/1427283562.db2.gz CYNOVHVKQJJLOU-UHFFFAOYSA-N -1 0 343.391 2.931 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503230 1428333855 /nfs/dbraw/zinc/33/38/55/1428333855.db2.gz JKTMDZAHZYQLQP-NSHDSACASA-N -1 0 335.323 2.728 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824141587 1428350366 /nfs/dbraw/zinc/35/03/66/1428350366.db2.gz KIQZRNCICJRHKJ-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM O=[N+]([O-])c1ccc(N=NCc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000823640118 1428374480 /nfs/dbraw/zinc/37/44/80/1428374480.db2.gz UAIBLTMVAQXYNR-UHFFFAOYSA-N -1 0 349.763 2.936 20 30 EFEDRM Cc1cc(F)ccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826268898 1428453542 /nfs/dbraw/zinc/45/35/42/1428453542.db2.gz SCWKPOJRGJBVJG-UHFFFAOYSA-N -1 0 331.742 2.809 20 30 EFEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N)cc1 ZINC000823958488 1428688224 /nfs/dbraw/zinc/68/82/24/1428688224.db2.gz OVNLFQFHDXQENN-UHFFFAOYSA-N -1 0 327.779 2.938 20 30 EFEDRM CCn1nccc1[C@@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1 ZINC001552448829 1414456289 /nfs/dbraw/zinc/45/62/89/1414456289.db2.gz HLACSKZSPUFQCE-MLGOLLRUSA-N -1 0 343.387 2.562 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449317 1414456368 /nfs/dbraw/zinc/45/63/68/1414456368.db2.gz ZXGBFYURYLAOCR-CJNGLKHVSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552452229 1414456993 /nfs/dbraw/zinc/45/69/93/1414456993.db2.gz CXBVWRIHTCKWTP-ZBEGNZNMSA-N -1 0 346.362 2.823 20 30 EFEDRM CCn1cc([C@H]2OCC[C@@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552453191 1414457005 /nfs/dbraw/zinc/45/70/05/1414457005.db2.gz JZSWNPCBJOLZNX-WBMJQRKESA-N -1 0 346.362 2.916 20 30 EFEDRM N#CC1(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000822801688 1428818173 /nfs/dbraw/zinc/81/81/73/1428818173.db2.gz MKOBWOOEAKMNTM-UHFFFAOYSA-N -1 0 329.335 2.523 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(C#N)c1C ZINC001556322877 1415064055 /nfs/dbraw/zinc/06/40/55/1415064055.db2.gz KECZBQDYYGGRSA-UHFFFAOYSA-N -1 0 333.351 2.918 20 30 EFEDRM CC(C)(C)[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1nc(=O)o[n-]1 ZINC001557155363 1415109369 /nfs/dbraw/zinc/10/93/69/1415109369.db2.gz FTMOGYPAHATWCU-ZFWWWQNUSA-N -1 0 342.399 2.654 20 30 EFEDRM COC(=O)c1cc2cccnc2c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001558539600 1415187638 /nfs/dbraw/zinc/18/76/38/1415187638.db2.gz WPMYNZJTHNENMS-UHFFFAOYSA-N -1 0 347.330 2.851 20 30 EFEDRM Cn1c(=O)[n-]c(Oc2cccc(Oc3ccccc3)c2)c(C#N)c1=O ZINC001559054228 1415221533 /nfs/dbraw/zinc/22/15/33/1415221533.db2.gz GTMFFMRGYMNSPE-UHFFFAOYSA-N -1 0 335.319 2.530 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826281261 1428891661 /nfs/dbraw/zinc/89/16/61/1428891661.db2.gz KZPDEILPMKDQRF-CMDGGOBGSA-N -1 0 335.323 2.979 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824034771 1428975247 /nfs/dbraw/zinc/97/52/47/1428975247.db2.gz OUAWGMPCEHHEIE-LLVKDONJSA-N -1 0 338.346 2.909 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C)c1C#N ZINC001646231439 1416636433 /nfs/dbraw/zinc/63/64/33/1416636433.db2.gz IJXUTHIPOGASFR-UHFFFAOYSA-N -1 0 332.429 2.699 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000159779198 1418286959 /nfs/dbraw/zinc/28/69/59/1418286959.db2.gz NVYMSANJCMPYJV-SKDRFNHKSA-N -1 0 341.205 2.839 20 30 EFEDRM CC(C)n1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000820211381 1429266511 /nfs/dbraw/zinc/26/65/11/1429266511.db2.gz KRCNKILSYPUTER-AATRIKPKSA-N -1 0 326.335 2.679 20 30 EFEDRM C#CCCCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000819693179 1429428986 /nfs/dbraw/zinc/42/89/86/1429428986.db2.gz OKKGFOVVPVZYEK-UHFFFAOYSA-N -1 0 326.791 2.706 20 30 EFEDRM C=C[C@@H](CC)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823882977 1429485819 /nfs/dbraw/zinc/48/58/19/1429485819.db2.gz HLFWSTSZNQQAOA-NSHDSACASA-N -1 0 327.344 2.680 20 30 EFEDRM C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735387904 1429582359 /nfs/dbraw/zinc/58/23/59/1429582359.db2.gz KHCKTBYZJNSFFY-UHFFFAOYSA-N -1 0 346.394 2.546 20 30 EFEDRM C#CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1 ZINC000823845426 1423451493 /nfs/dbraw/zinc/45/14/93/1423451493.db2.gz ROAACBGSUDOVAQ-UHFFFAOYSA-N -1 0 327.388 2.703 20 30 EFEDRM Clc1ccc(C=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826351855 1423455272 /nfs/dbraw/zinc/45/52/72/1423455272.db2.gz DHEFTTJSYFOTPN-UHFFFAOYSA-N -1 0 343.774 2.950 20 30 EFEDRM N#CC1(c2ccc(COC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380806 1423479676 /nfs/dbraw/zinc/47/96/76/1423479676.db2.gz NBABWGBUXSDJTR-UHFFFAOYSA-N -1 0 345.362 2.779 20 30 EFEDRM C=C(C)[C@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823874285 1423529642 /nfs/dbraw/zinc/52/96/42/1423529642.db2.gz UYNLBUIZLNNSST-HNNXBMFYSA-N -1 0 329.404 2.591 20 30 EFEDRM COc1ccc(C)cc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821783152 1423799110 /nfs/dbraw/zinc/79/91/10/1423799110.db2.gz XPQISCREGBOJAT-UHFFFAOYSA-N -1 0 336.399 2.698 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@H]1C ZINC000823909458 1423939138 /nfs/dbraw/zinc/93/91/38/1423939138.db2.gz FFYGUYULFQIATK-CJNGLKHVSA-N -1 0 325.416 2.818 20 30 EFEDRM C#CCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819693442 1429693759 /nfs/dbraw/zinc/69/37/59/1429693759.db2.gz SDCYMVORFZTYTB-UHFFFAOYSA-N -1 0 337.343 2.539 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736816668 1424066325 /nfs/dbraw/zinc/06/63/25/1424066325.db2.gz MRSYOIJEZGVZAM-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1-c1nn[n-]n1 ZINC000737706678 1424075510 /nfs/dbraw/zinc/07/55/10/1424075510.db2.gz YAMQXGYFFZMGBL-UHFFFAOYSA-N -1 0 348.341 2.548 20 30 EFEDRM CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820198218 1424119457 /nfs/dbraw/zinc/11/94/57/1424119457.db2.gz SWONQKZXRTZDAG-LBPRGKRZSA-N -1 0 338.396 2.937 20 30 EFEDRM N#Cc1c(Cl)nsc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822819284 1424144109 /nfs/dbraw/zinc/14/41/09/1424144109.db2.gz NZUMCDZDMVMLDO-UHFFFAOYSA-N -1 0 335.755 2.599 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC000176559819 1424198587 /nfs/dbraw/zinc/19/85/87/1424198587.db2.gz IOJCXBFJJPVVBW-UHFFFAOYSA-N -1 0 338.248 2.672 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480515 1424564570 /nfs/dbraw/zinc/56/45/70/1424564570.db2.gz FLOWNSWUOGMYCJ-RMKNXTFCSA-N -1 0 345.362 2.648 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000826401791 1424626069 /nfs/dbraw/zinc/62/60/69/1424626069.db2.gz HBNOVZFYOYADNG-FNORWQNLSA-N -1 0 334.335 2.534 20 30 EFEDRM C=C(C)[C@H]1CC=C(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819722406 1424839993 /nfs/dbraw/zinc/83/99/93/1424839993.db2.gz IOMULXRWPXAVLZ-ZDUSSCGKSA-N -1 0 325.372 2.721 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826379781 1425055859 /nfs/dbraw/zinc/05/58/59/1425055859.db2.gz BIDYADYKSRCTMI-SJLPKXTDSA-N -1 0 345.410 2.533 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000735420717 1425063575 /nfs/dbraw/zinc/06/35/75/1425063575.db2.gz QYQATIPSRBKQTH-INIZCTEOSA-N -1 0 338.415 2.673 20 30 EFEDRM CC#CCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823942739 1425065527 /nfs/dbraw/zinc/06/55/27/1425065527.db2.gz IHRQJBWPBSSBKX-UHFFFAOYSA-N -1 0 349.419 2.771 20 30 EFEDRM C#Cc1cccc(N(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735390043 1425072888 /nfs/dbraw/zinc/07/28/88/1425072888.db2.gz NKGRXUDJCAGSEO-UHFFFAOYSA-N -1 0 345.406 2.832 20 30 EFEDRM C=CCN(Cc1coc(C2CC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914360 1425105180 /nfs/dbraw/zinc/10/51/80/1425105180.db2.gz HJJZTWZLGPTSRY-UHFFFAOYSA-N -1 0 336.399 2.920 20 30 EFEDRM CCN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377200 1425134545 /nfs/dbraw/zinc/13/45/45/1425134545.db2.gz WOHLXTKQQFKSGU-UHFFFAOYSA-N -1 0 346.394 2.528 20 30 EFEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(F)c1 ZINC000737807016 1425338774 /nfs/dbraw/zinc/33/87/74/1425338774.db2.gz MXVOQFQDEHWYQR-WAYWQWQTSA-N -1 0 334.314 2.550 20 30 EFEDRM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000822801949 1425358150 /nfs/dbraw/zinc/35/81/50/1425358150.db2.gz RZRVITIMCHMRDB-NSHDSACASA-N -1 0 344.787 2.576 20 30 EFEDRM C[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163323 1425611482 /nfs/dbraw/zinc/61/14/82/1425611482.db2.gz MYXMVSXZXKNJEC-LBPRGKRZSA-N -1 0 333.351 2.851 20 30 EFEDRM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819697882 1425896807 /nfs/dbraw/zinc/89/68/07/1425896807.db2.gz NBVKGBAQXXIJKV-ZDUSSCGKSA-N -1 0 338.415 2.515 20 30 EFEDRM O=[N+]([O-])c1ccccc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823646929 1425943043 /nfs/dbraw/zinc/94/30/43/1425943043.db2.gz DEBKPWGAVVYCOA-UHFFFAOYSA-N -1 0 349.354 2.927 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826384106 1426012487 /nfs/dbraw/zinc/01/24/87/1426012487.db2.gz HCJLXAUBCZFPBP-HWKANZROSA-N -1 0 325.328 2.835 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000821566521 1426094062 /nfs/dbraw/zinc/09/40/62/1426094062.db2.gz IEXKWYOSYFJJKW-FPLPWBNLSA-N -1 0 340.362 2.735 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000823958351 1426295524 /nfs/dbraw/zinc/29/55/24/1426295524.db2.gz KOTLVXOXMZPSNH-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM N#Cc1ccc(F)cc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822829852 1426407691 /nfs/dbraw/zinc/40/76/91/1426407691.db2.gz MAPFKLBIWMTOCT-VURMDHGXSA-N -1 0 349.325 2.634 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)OCC ZINC000823873314 1426464258 /nfs/dbraw/zinc/46/42/58/1426464258.db2.gz KZTMNCLIDQDIFG-OAHLLOKOSA-N -1 0 345.403 2.575 20 30 EFEDRM COCCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000736976340 1426539781 /nfs/dbraw/zinc/53/97/81/1426539781.db2.gz KGYXZOMFEPFAFZ-UHFFFAOYSA-N -1 0 340.362 2.859 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826257346 1426544962 /nfs/dbraw/zinc/54/49/62/1426544962.db2.gz YKYXMZHHGKIJQS-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM N#Cc1cc(NC(=O)c2sccc2C2CC2)ccc1-c1nn[n-]n1 ZINC000737709523 1426586226 /nfs/dbraw/zinc/58/62/26/1426586226.db2.gz LNDUKAUDHMCWIS-UHFFFAOYSA-N -1 0 336.380 2.930 20 30 EFEDRM N#Cc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737716238 1426631271 /nfs/dbraw/zinc/63/12/71/1426631271.db2.gz NHJMHLNJGRVNEP-UHFFFAOYSA-N -1 0 344.334 2.666 20 30 EFEDRM FC(F)Oc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822737232 1426671910 /nfs/dbraw/zinc/67/19/10/1426671910.db2.gz RJYXHHWJAJLBHS-UHFFFAOYSA-N -1 0 336.327 2.976 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(O)cccc2Cl)o1 ZINC000824352807 1426695107 /nfs/dbraw/zinc/69/51/07/1426695107.db2.gz ORGIFFHCXQDPIR-UHFFFAOYSA-N -1 0 347.766 2.783 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000826384351 1426707937 /nfs/dbraw/zinc/70/79/37/1426707937.db2.gz RROKHYBNFPKWHC-DJWKRKHSSA-N -1 0 325.328 2.835 20 30 EFEDRM C=CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735437960 1426788595 /nfs/dbraw/zinc/78/85/95/1426788595.db2.gz VAYBCLVHMLJLBV-UHFFFAOYSA-N -1 0 336.351 2.789 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820076555 1426902211 /nfs/dbraw/zinc/90/22/11/1426902211.db2.gz MINZRUHCZJQALF-UHFFFAOYSA-N -1 0 327.392 2.660 20 30 EFEDRM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822832556 1426932978 /nfs/dbraw/zinc/93/29/78/1426932978.db2.gz CLNBNNOGDUVFTP-UHFFFAOYSA-N -1 0 343.293 2.919 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(O)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201304 1426942038 /nfs/dbraw/zinc/94/20/38/1426942038.db2.gz CBQHRIHTRZIKHK-BQYQJAHWSA-N -1 0 335.367 2.525 20 30 EFEDRM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819698163 1426975647 /nfs/dbraw/zinc/97/56/47/1426975647.db2.gz SWWLJZMZGWYXLN-ZDUSSCGKSA-N -1 0 338.415 2.515 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737347025 1427023385 /nfs/dbraw/zinc/02/33/85/1427023385.db2.gz KVPIPSXEJKEFDD-UHFFFAOYSA-N -1 0 346.394 2.665 20 30 EFEDRM Fc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826374129 1427251769 /nfs/dbraw/zinc/25/17/69/1427251769.db2.gz MMCIAJFWVCGMEG-UHFFFAOYSA-N -1 0 335.705 2.639 20 30 EFEDRM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736312557 1427303440 /nfs/dbraw/zinc/30/34/40/1427303440.db2.gz IIBZGTTUEQMLKM-HNNXBMFYSA-N -1 0 332.367 2.871 20 30 EFEDRM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823837339 1427351954 /nfs/dbraw/zinc/35/19/54/1427351954.db2.gz BWIRSJMMKABJLI-UHFFFAOYSA-N -1 0 335.314 2.600 20 30 EFEDRM C#C[C@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823838890 1427352511 /nfs/dbraw/zinc/35/25/11/1427352511.db2.gz WJXAHWXSXUUVLQ-GOSISDBHSA-N -1 0 346.390 2.587 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(F)cc(F)cc21 ZINC000823505317 1427431635 /nfs/dbraw/zinc/43/16/35/1427431635.db2.gz ZWMUQQOYVLWHGN-XVNBXDOJSA-N -1 0 346.318 2.865 20 30 EFEDRM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1O)c1ccccc1 ZINC000823883286 1427467606 /nfs/dbraw/zinc/46/76/06/1427467606.db2.gz NGSQMNJBPSIGBH-GFCCVEGCSA-N -1 0 335.367 2.871 20 30 EFEDRM CCc1cnccc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825734651 1427506410 /nfs/dbraw/zinc/50/64/10/1427506410.db2.gz LYSLAFQWNULGQV-XQRVVYSFSA-N -1 0 335.367 2.729 20 30 EFEDRM CC(C)Oc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735912399 1427640877 /nfs/dbraw/zinc/64/08/77/1427640877.db2.gz BLJFNOXZZTYXIC-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM C=CCN(Cc1ccc(C#N)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914674 1427657556 /nfs/dbraw/zinc/65/75/56/1427657556.db2.gz LPKGOLFLZPKPPD-UHFFFAOYSA-N -1 0 336.424 2.988 20 30 EFEDRM N#Cc1ccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737723620 1427682116 /nfs/dbraw/zinc/68/21/16/1427682116.db2.gz ZODMQPZWTKUHQC-UHFFFAOYSA-N -1 0 331.364 2.833 20 30 EFEDRM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823837716 1427688355 /nfs/dbraw/zinc/68/83/55/1427688355.db2.gz GCSLILZDRJKTLS-MRXNPFEDSA-N -1 0 332.363 2.576 20 30 EFEDRM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826164319 1427705837 /nfs/dbraw/zinc/70/58/37/1427705837.db2.gz QXZDJSOVIUYAKG-SREVYHEPSA-N -1 0 326.381 2.971 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccc(F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201364 1427712064 /nfs/dbraw/zinc/71/20/64/1427712064.db2.gz DCJHVOUVUUOBCE-TWGQIWQCSA-N -1 0 337.358 2.958 20 30 EFEDRM COc1cccc(OC)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826217735 1427713253 /nfs/dbraw/zinc/71/32/53/1427713253.db2.gz ZVJBTQMETYJVGT-KTKRTIGZSA-N -1 0 336.351 2.780 20 30 EFEDRM COCC#CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826146770 1427943661 /nfs/dbraw/zinc/94/36/61/1427943661.db2.gz CMYWDSQVDVYZIL-UHFFFAOYSA-N -1 0 337.408 2.671 20 30 EFEDRM C=C(CC)COC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000823877589 1427965879 /nfs/dbraw/zinc/96/58/79/1427965879.db2.gz AAHGLTJPJBJHGI-UHFFFAOYSA-N -1 0 346.387 2.544 20 30 EFEDRM CC1(C)Cc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000820607170 1427998986 /nfs/dbraw/zinc/99/89/86/1427998986.db2.gz KZRGPNSVBGMXFE-UHFFFAOYSA-N -1 0 348.410 2.704 20 30 EFEDRM N#Cc1cc(NC(=O)CCCOc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737705246 1428088902 /nfs/dbraw/zinc/08/89/02/1428088902.db2.gz PEEDWRARMHFLPB-UHFFFAOYSA-N -1 0 348.366 2.536 20 30 EFEDRM N#CCc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826382428 1428119390 /nfs/dbraw/zinc/11/93/90/1428119390.db2.gz DODANPJZDUHMOQ-UHFFFAOYSA-N -1 0 338.758 2.838 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000822928595 1429920451 /nfs/dbraw/zinc/92/04/51/1429920451.db2.gz KVNNHYVQUAKDDY-XQRVVYSFSA-N -1 0 327.325 2.733 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000819734323 1429965838 /nfs/dbraw/zinc/96/58/38/1429965838.db2.gz LWOPXNXDGJKLIR-OAHLLOKOSA-N -1 0 334.383 2.699 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000826384457 1430063440 /nfs/dbraw/zinc/06/34/40/1430063440.db2.gz WKJLFOZETAHDJR-DUXPYHPUSA-N -1 0 325.328 2.835 20 30 EFEDRM CCOc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821417019 1430089028 /nfs/dbraw/zinc/08/90/28/1430089028.db2.gz GZBWFYLRGQJPCU-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccs1 ZINC000735580798 1430096791 /nfs/dbraw/zinc/09/67/91/1430096791.db2.gz LKQYDFBGOKPGJZ-UHFFFAOYSA-N -1 0 338.396 2.716 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3ccccc3n2)o1 ZINC000735938632 1430117971 /nfs/dbraw/zinc/11/79/71/1430117971.db2.gz CJCXWLCQCXWTMG-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM N#CC1(c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC000826380953 1430146614 /nfs/dbraw/zinc/14/66/14/1430146614.db2.gz RSYZWHXRHIJZPW-UHFFFAOYSA-N -1 0 349.325 2.780 20 30 EFEDRM CCOc1ccc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c(O)c1 ZINC000821416748 1430171207 /nfs/dbraw/zinc/17/12/07/1430171207.db2.gz CXBICVUSEGSPCC-OCKHKDLRSA-N -1 0 341.346 2.729 20 30 EFEDRM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735976298 1430179674 /nfs/dbraw/zinc/17/96/74/1430179674.db2.gz KTLTYPGWMUZGST-LBPRGKRZSA-N -1 0 332.367 2.871 20 30 EFEDRM Cc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000822202200 1441496591 /nfs/dbraw/zinc/49/65/91/1441496591.db2.gz OYSWUENXMPDGKM-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCO2 ZINC000820831934 1441569087 /nfs/dbraw/zinc/56/90/87/1441569087.db2.gz FJIYTNCCPGZGAP-UHFFFAOYSA-N -1 0 348.410 2.706 20 30 EFEDRM C=CCCCCCN(C)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408642 1441689750 /nfs/dbraw/zinc/68/97/50/1441689750.db2.gz QHUKTUWWTHTKMI-MRXNPFEDSA-N -1 0 343.431 2.759 20 30 EFEDRM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826164320 1441701256 /nfs/dbraw/zinc/70/12/56/1441701256.db2.gz QXZDJSOVIUYAKG-VOTSOKGWSA-N -1 0 326.381 2.971 20 30 EFEDRM Cc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1F ZINC000737329565 1441713885 /nfs/dbraw/zinc/71/38/85/1441713885.db2.gz MXCWQMNNXMFHDK-UHFFFAOYSA-N -1 0 329.339 2.872 20 30 EFEDRM CCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825272303 1441739765 /nfs/dbraw/zinc/73/97/65/1441739765.db2.gz ZVEQMPBTUVVQSK-UHFFFAOYSA-N -1 0 326.404 2.855 20 30 EFEDRM CO[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821673431 1441772356 /nfs/dbraw/zinc/77/23/56/1441772356.db2.gz AYTBUACCOHGAEZ-MRVPVSSYSA-N -1 0 328.298 2.708 20 30 EFEDRM COc1ccc(CON=Cc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826206934 1441776412 /nfs/dbraw/zinc/77/64/12/1441776412.db2.gz RTIKZHNDSFCHRD-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823899585 1441872423 /nfs/dbraw/zinc/87/24/23/1441872423.db2.gz YWKHSDFDRPFMLL-UHFFFAOYSA-N -1 0 329.404 2.877 20 30 EFEDRM C#CCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735374239 1441930421 /nfs/dbraw/zinc/93/04/21/1441930421.db2.gz FVXWEMNIRHMVHC-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM Brc1ccoc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000735375090 1441954476 /nfs/dbraw/zinc/95/44/76/1441954476.db2.gz JLBRUNCOTWJYFK-UHFFFAOYSA-N -1 0 333.149 2.668 20 30 EFEDRM CCOCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736607965 1441991039 /nfs/dbraw/zinc/99/10/39/1441991039.db2.gz DJBNRXFPXVCSSP-UHFFFAOYSA-N -1 0 328.298 2.710 20 30 EFEDRM CCO[C@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C1(CC)CC ZINC000821351513 1442035805 /nfs/dbraw/zinc/03/58/05/1442035805.db2.gz RSGPVZPDAYZLOS-NSHDSACASA-N -1 0 333.396 2.546 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2cccc(C)c2)C2CC2)o1 ZINC000737391533 1442176421 /nfs/dbraw/zinc/17/64/21/1442176421.db2.gz DEHPRCRXMPWZCO-UHFFFAOYSA-N -1 0 337.387 2.892 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2cc3ccccc3o2)ccc1-c1nn[n-]n1 ZINC000737708954 1442237402 /nfs/dbraw/zinc/23/74/02/1442237402.db2.gz JZWQXPZMXXTGLJ-UHFFFAOYSA-N -1 0 344.334 2.666 20 30 EFEDRM COc1cc(C)nc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826178056 1442246404 /nfs/dbraw/zinc/24/64/04/1442246404.db2.gz IBFVWHWPFJZQNE-UHFFFAOYSA-N -1 0 343.778 2.678 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401162 1442311271 /nfs/dbraw/zinc/31/12/71/1442311271.db2.gz RFBZKCHJXSUKOI-BAQGIRSFSA-N -1 0 339.286 2.810 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2s1 ZINC000819773957 1442321083 /nfs/dbraw/zinc/32/10/83/1442321083.db2.gz YGLRAZRVDATSHK-UHFFFAOYSA-N -1 0 349.423 2.990 20 30 EFEDRM CN(C(=O)c1ccc(C#N)s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573372 1442398125 /nfs/dbraw/zinc/39/81/25/1442398125.db2.gz NQSHZXLLCSVGSS-UHFFFAOYSA-N -1 0 344.787 2.730 20 30 EFEDRM C#CC(C)(C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375329 1442405231 /nfs/dbraw/zinc/40/52/31/1442405231.db2.gz JTSXOVNCTXCOGT-UHFFFAOYSA-N -1 0 347.378 2.801 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC ZINC000825480691 1442424077 /nfs/dbraw/zinc/42/40/77/1442424077.db2.gz GRMWRWISHQUFDE-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM N#Cc1csc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822846322 1442451484 /nfs/dbraw/zinc/45/14/84/1442451484.db2.gz WOEBPLLQXYJIFN-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000820842853 1442460708 /nfs/dbraw/zinc/46/07/08/1442460708.db2.gz QKORJTVQOPYTBE-CQSZACIVSA-N -1 0 335.371 2.555 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000821769821 1442460718 /nfs/dbraw/zinc/46/07/18/1442460718.db2.gz KYONWEHTZNTBGA-HWKANZROSA-N -1 0 330.344 2.972 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822822756 1443072531 /nfs/dbraw/zinc/07/25/31/1443072531.db2.gz DWSKXRRLRGZPGY-CXAGYDPISA-N -1 0 344.378 2.556 20 30 EFEDRM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823953638 1443165491 /nfs/dbraw/zinc/16/54/91/1443165491.db2.gz JWDLSYWPLLINSM-UHFFFAOYSA-N -1 0 334.355 2.720 20 30 EFEDRM CCCNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736489231 1443207809 /nfs/dbraw/zinc/20/78/09/1443207809.db2.gz YTVJFPVFIBMXLL-UHFFFAOYSA-N -1 0 336.399 2.779 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)cc1C ZINC000825609990 1443209063 /nfs/dbraw/zinc/20/90/63/1443209063.db2.gz VULHBOSNRLVTKH-UHFFFAOYSA-N -1 0 349.350 2.665 20 30 EFEDRM CC(C)c1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000735939041 1443213206 /nfs/dbraw/zinc/21/32/06/1443213206.db2.gz HKLITBVKFCXXID-UHFFFAOYSA-N -1 0 339.384 2.571 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819759152 1443235344 /nfs/dbraw/zinc/23/53/44/1443235344.db2.gz PEKJMBOGAFHINA-UHFFFAOYSA-N -1 0 335.367 2.992 20 30 EFEDRM C#CCCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000819692739 1443243998 /nfs/dbraw/zinc/24/39/98/1443243998.db2.gz JCCAYGZSSJFILP-UHFFFAOYSA-N -1 0 331.383 2.801 20 30 EFEDRM CCOc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825632245 1443260408 /nfs/dbraw/zinc/26/04/08/1443260408.db2.gz MVFBJGUEURXVDN-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM C#CCOc1ccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380212 1443262423 /nfs/dbraw/zinc/26/24/23/1443262423.db2.gz FNZFJVGVBGHUSO-ZDUSSCGKSA-N -1 0 348.362 2.797 20 30 EFEDRM Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000826261859 1443283228 /nfs/dbraw/zinc/28/32/28/1443283228.db2.gz VSOUKTZEIGKGBZ-UHFFFAOYSA-N -1 0 335.415 2.898 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380135 1443291562 /nfs/dbraw/zinc/29/15/62/1443291562.db2.gz LUXKJKJAYBOIAK-NSHDSACASA-N -1 0 333.355 2.621 20 30 EFEDRM C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712975 1443317667 /nfs/dbraw/zinc/31/76/67/1443317667.db2.gz FVQAVPPTWPPXRZ-CYBMUJFWSA-N -1 0 347.378 2.780 20 30 EFEDRM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C#N)cc1 ZINC000820512275 1443321179 /nfs/dbraw/zinc/32/11/79/1443321179.db2.gz IQQIWODTOYRDDN-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM C=CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000735409814 1443346600 /nfs/dbraw/zinc/34/66/00/1443346600.db2.gz LXOFQIRFUXVIHY-IJDCCNJMSA-N -1 0 346.394 2.709 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cc(-c4nnn[n-]4)cs3)nc21 ZINC000822333141 1443375220 /nfs/dbraw/zinc/37/52/20/1443375220.db2.gz YEWQRJZNHDDLGX-JTQLQIEISA-N -1 0 349.379 2.603 20 30 EFEDRM N#Cc1cc(Cl)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822819440 1443391670 /nfs/dbraw/zinc/39/16/70/1443391670.db2.gz SLWXZUNWUNPUOJ-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM CSc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737193082 1443449513 /nfs/dbraw/zinc/44/95/13/1443449513.db2.gz WDBYMFASKUDJMK-UHFFFAOYSA-N -1 0 336.380 2.713 20 30 EFEDRM CC(C)(C)c1nc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819965674 1443493901 /nfs/dbraw/zinc/49/39/01/1443493901.db2.gz MJGNIBWFDUOMRL-UHFFFAOYSA-N -1 0 341.444 2.744 20 30 EFEDRM FC(F)Oc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826369636 1443546515 /nfs/dbraw/zinc/54/65/15/1443546515.db2.gz KUSUZGGORUVTML-UHFFFAOYSA-N -1 0 330.298 2.914 20 30 EFEDRM CCc1c(C)sc(NC(=O)C2(C#N)CCCC2)c1-c1nnn[n-]1 ZINC000736672130 1443547158 /nfs/dbraw/zinc/54/71/58/1443547158.db2.gz ZHXJAXOGTLNYHB-UHFFFAOYSA-N -1 0 330.417 2.822 20 30 EFEDRM C[C@@H](C#N)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819856072 1443587459 /nfs/dbraw/zinc/58/74/59/1443587459.db2.gz HJQTXXDVSZJRDN-LBPRGKRZSA-N -1 0 348.366 2.927 20 30 EFEDRM C=C(C)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735402104 1443590511 /nfs/dbraw/zinc/59/05/11/1443590511.db2.gz IAJPXPHYQMJCRA-UHFFFAOYSA-N -1 0 340.339 2.772 20 30 EFEDRM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000826384458 1443605646 /nfs/dbraw/zinc/60/56/46/1443605646.db2.gz WKJLFOZETAHDJR-RQOWECAXSA-N -1 0 325.328 2.835 20 30 EFEDRM Cc1cccc2c1CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826304971 1443614441 /nfs/dbraw/zinc/61/44/41/1443614441.db2.gz GEFGFEKOACQQJA-UHFFFAOYSA-N -1 0 339.790 2.986 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821589538 1443618044 /nfs/dbraw/zinc/61/80/44/1443618044.db2.gz SAIGDJRUVRCKOB-CLFYSBASSA-N -1 0 325.397 2.890 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C12CCCCC2 ZINC000736619608 1443663170 /nfs/dbraw/zinc/66/31/70/1443663170.db2.gz YKQALMSGEDJXBW-GFCCVEGCSA-N -1 0 345.407 2.690 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)nc1 ZINC000826399713 1443782487 /nfs/dbraw/zinc/78/24/87/1443782487.db2.gz CWGGGJVKZMKCNE-HWKANZROSA-N -1 0 329.722 2.950 20 30 EFEDRM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451160 1443816621 /nfs/dbraw/zinc/81/66/21/1443816621.db2.gz QUGGNSIKXOIAET-UHFFFAOYSA-N -1 0 346.354 2.753 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000826257333 1443821794 /nfs/dbraw/zinc/82/17/94/1443821794.db2.gz XYFSBUVCSSNAAE-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM CN(C)c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736772980 1444024261 /nfs/dbraw/zinc/02/42/61/1444024261.db2.gz IVYWNXZNHNKVBT-UHFFFAOYSA-N -1 0 325.351 2.518 20 30 EFEDRM C[C@H]1CCC[C@@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000824929733 1446131341 /nfs/dbraw/zinc/13/13/41/1446131341.db2.gz YFXBVRALRFVCEY-VHSXEESVSA-N -1 0 329.433 2.634 20 30 EFEDRM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819763697 1446176144 /nfs/dbraw/zinc/17/61/44/1446176144.db2.gz AKHREBGBPGASTM-DHZHZOJOSA-N -1 0 348.341 2.919 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736309911 1446215746 /nfs/dbraw/zinc/21/57/46/1446215746.db2.gz UJTQLNOGGASDNZ-AWEZNQCLSA-N -1 0 347.382 2.642 20 30 EFEDRM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401084 1446228107 /nfs/dbraw/zinc/22/81/07/1446228107.db2.gz PAXAWDWKPVBBBH-ALCCZGGFSA-N -1 0 338.298 2.631 20 30 EFEDRM C=CCOc1ccc(OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000823932060 1446357131 /nfs/dbraw/zinc/35/71/31/1446357131.db2.gz MMCIKVYRFSAQCX-UHFFFAOYSA-N -1 0 338.367 2.889 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735561157 1446365084 /nfs/dbraw/zinc/36/50/84/1446365084.db2.gz WFCOWSDQTHRXOD-SNVBAGLBSA-N -1 0 336.330 2.620 20 30 EFEDRM CCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000825733315 1446395272 /nfs/dbraw/zinc/39/52/72/1446395272.db2.gz BXGUTCPWMRUBGN-AATRIKPKSA-N -1 0 329.360 2.921 20 30 EFEDRM N#CCc1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382634 1446419320 /nfs/dbraw/zinc/41/93/20/1446419320.db2.gz OCEBIPHRUQOBLE-UHFFFAOYSA-N -1 0 347.378 2.609 20 30 EFEDRM Fc1ccc(CCN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826374194 1446509072 /nfs/dbraw/zinc/50/90/72/1446509072.db2.gz PFUUKEQOKBAGND-UHFFFAOYSA-N -1 0 331.742 2.695 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccc(F)cc1 ZINC000822934646 1446513729 /nfs/dbraw/zinc/51/37/29/1446513729.db2.gz ATOUTJIFJUOMTL-FMIVXFBMSA-N -1 0 348.337 2.614 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1-c1nn[n-]n1 ZINC000737709284 1446561004 /nfs/dbraw/zinc/56/10/04/1446561004.db2.gz MJEIRHDWLFGWGX-UHFFFAOYSA-N -1 0 330.307 2.737 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874853 1446639505 /nfs/dbraw/zinc/63/95/05/1446639505.db2.gz ZRAFESIOYJVHFJ-ZDUSSCGKSA-N -1 0 335.795 2.830 20 30 EFEDRM Cc1ccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000822233774 1446691635 /nfs/dbraw/zinc/69/16/35/1446691635.db2.gz UURHTRKOKOXAQT-UHFFFAOYSA-N -1 0 332.367 2.979 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736774707 1446795251 /nfs/dbraw/zinc/79/52/51/1446795251.db2.gz YDQXOOZURMOISG-CLFYSBASSA-N -1 0 337.358 2.968 20 30 EFEDRM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1 ZINC000820508002 1446809395 /nfs/dbraw/zinc/80/93/95/1446809395.db2.gz KZAKEUYQRIMREL-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccco2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359851 1446911870 /nfs/dbraw/zinc/91/18/70/1446911870.db2.gz RPDWEZNWTCJKNP-CMDGGOBGSA-N -1 0 346.350 2.756 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826380050 1447060871 /nfs/dbraw/zinc/06/08/71/1447060871.db2.gz LERLUNHXXZTHGS-HOTGVXAUSA-N -1 0 334.383 2.731 20 30 EFEDRM CC(CC1CCOCC1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824402436 1447128585 /nfs/dbraw/zinc/12/85/85/1447128585.db2.gz WNKRCYJQMNDNBG-UHFFFAOYSA-N -1 0 335.799 2.520 20 30 EFEDRM C=CCOc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819758633 1447133708 /nfs/dbraw/zinc/13/37/08/1447133708.db2.gz CHJFHCBFLWCSCB-UHFFFAOYSA-N -1 0 334.383 2.555 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CO2 ZINC000826212598 1447145439 /nfs/dbraw/zinc/14/54/39/1447145439.db2.gz VLAKWCIZFRFAAV-WQLSENKSSA-N -1 0 334.335 2.534 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000737065322 1447147279 /nfs/dbraw/zinc/14/72/79/1447147279.db2.gz JBYBNQRPAABYQP-OQFOIZHKSA-N -1 0 336.351 2.780 20 30 EFEDRM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000826386170 1447191680 /nfs/dbraw/zinc/19/16/80/1447191680.db2.gz SDMVSWWPJOUXCW-UHFFFAOYSA-N -1 0 349.301 2.698 20 30 EFEDRM N#Cc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826386583 1447217109 /nfs/dbraw/zinc/21/71/09/1447217109.db2.gz KQQSXHLZWDXJEN-UHFFFAOYSA-N -1 0 339.742 2.749 20 30 EFEDRM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000826384759 1447230387 /nfs/dbraw/zinc/23/03/87/1447230387.db2.gz IKSUPTQQAMIVMY-UHFFFAOYSA-N -1 0 341.737 2.977 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958555 1449161316 /nfs/dbraw/zinc/16/13/16/1449161316.db2.gz QJPZLQOLXCMNOX-UHFFFAOYSA-N -1 0 341.306 2.750 20 30 EFEDRM Oc1ccc2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823733554 1449301685 /nfs/dbraw/zinc/30/16/85/1449301685.db2.gz YTQQBTLXZXONPP-UHFFFAOYSA-N -1 0 344.378 2.849 20 30 EFEDRM C#Cc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709358 1449302659 /nfs/dbraw/zinc/30/26/59/1449302659.db2.gz FEEHGMXHQRETJP-LBPRGKRZSA-N -1 0 348.435 2.896 20 30 EFEDRM Cc1ccc(C#N)cc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822224869 1449384989 /nfs/dbraw/zinc/38/49/89/1449384989.db2.gz DBXYQBAVVKVOAQ-UHFFFAOYSA-N -1 0 335.367 2.895 20 30 EFEDRM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000823904245 1449389174 /nfs/dbraw/zinc/38/91/74/1449389174.db2.gz XRRXJVVGWUGJPR-UHFFFAOYSA-N -1 0 329.408 2.606 20 30 EFEDRM Cc1ccncc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000823962921 1449418926 /nfs/dbraw/zinc/41/89/26/1449418926.db2.gz RTIAWUUFPFRAFC-UHFFFAOYSA-N -1 0 340.391 2.692 20 30 EFEDRM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403371 1449438972 /nfs/dbraw/zinc/43/89/72/1449438972.db2.gz QDWRXXVXKJXOCC-FNORWQNLSA-N -1 0 334.314 2.550 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826382062 1449456823 /nfs/dbraw/zinc/45/68/23/1449456823.db2.gz MTFFDHLCJZSDJA-QPJJXVBHSA-N -1 0 349.325 2.804 20 30 EFEDRM C=C(C)CN(CC)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735398614 1449513391 /nfs/dbraw/zinc/51/33/91/1449513391.db2.gz LGGMPVGZRXOXTK-UHFFFAOYSA-N -1 0 343.431 2.840 20 30 EFEDRM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735977947 1449537571 /nfs/dbraw/zinc/53/75/71/1449537571.db2.gz XNNFFLXYLBRSMR-GFCCVEGCSA-N -1 0 332.367 2.871 20 30 EFEDRM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)nn2)cc1C(F)(F)F ZINC000826386303 1449573423 /nfs/dbraw/zinc/57/34/23/1449573423.db2.gz YHARRVGYWKYYFS-UHFFFAOYSA-N -1 0 349.301 2.698 20 30 EFEDRM CCC(COC)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736351027 1449617752 /nfs/dbraw/zinc/61/77/52/1449617752.db2.gz DUOZMWNVWTWPRV-UHFFFAOYSA-N -1 0 328.298 2.710 20 30 EFEDRM N#CCCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000737685479 1449795956 /nfs/dbraw/zinc/79/59/56/1449795956.db2.gz CXVPRVBPSPSRRZ-UHFFFAOYSA-N -1 0 342.359 2.628 20 30 EFEDRM Cc1c(C#N)cccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822016305 1449844591 /nfs/dbraw/zinc/84/45/91/1449844591.db2.gz WZTSEVBQMFFAPN-UHFFFAOYSA-N -1 0 334.383 2.928 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1F ZINC000735552189 1449880457 /nfs/dbraw/zinc/88/04/57/1449880457.db2.gz VQPORYKIJWQVIV-SNVBAGLBSA-N -1 0 336.330 2.620 20 30 EFEDRM C[C@H]1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000824925205 1449976398 /nfs/dbraw/zinc/97/63/98/1449976398.db2.gz BOAGXUDINQDJQY-UWVGGRQHSA-N -1 0 329.433 2.634 20 30 EFEDRM C=CCN(CC=C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819740080 1450096815 /nfs/dbraw/zinc/09/68/15/1450096815.db2.gz NRHGUNDOSIEUJW-UHFFFAOYSA-N -1 0 349.847 2.813 20 30 EFEDRM O=C1C(=Cc2cnc3ccccn23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503358 1450126808 /nfs/dbraw/zinc/12/68/08/1450126808.db2.gz DNLDVKIIAICJLV-JLHYYAGUSA-N -1 0 342.362 2.727 20 30 EFEDRM N#CCc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382711 1450343694 /nfs/dbraw/zinc/34/36/94/1450343694.db2.gz RLEWKQHYYKPDLV-MDZDMXLPSA-N -1 0 345.362 2.689 20 30 EFEDRM Cc1ccc(-c2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)co2)cc1 ZINC000175316058 713049686 /nfs/dbraw/zinc/04/96/86/713049686.db2.gz VKKMAUNBMXWGEM-OZSKJFCKSA-N -1 0 337.331 2.878 20 30 EFEDRM Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000121259525 713073839 /nfs/dbraw/zinc/07/38/39/713073839.db2.gz XIZPRZSWCKNDBO-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM CN(C)C(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000255032874 713334833 /nfs/dbraw/zinc/33/48/33/713334833.db2.gz MHBHJRDRZNJWDG-UHFFFAOYSA-N -1 0 331.303 2.892 20 30 EFEDRM COc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1F ZINC000007760994 713476968 /nfs/dbraw/zinc/47/69/68/713476968.db2.gz WTCJODWIWCLUPH-NSHDSACASA-N -1 0 348.355 2.633 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000804836693 713511649 /nfs/dbraw/zinc/51/16/49/713511649.db2.gz GWZYPXFFKFCDRV-UHFFFAOYSA-N -1 0 349.365 2.993 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C(F)(F)F)n1 ZINC000120955128 713597871 /nfs/dbraw/zinc/59/78/71/713597871.db2.gz GSZTWISIGOKURY-VIFPVBQESA-N -1 0 347.300 2.816 20 30 EFEDRM CC(C)CCOc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000255083859 713647697 /nfs/dbraw/zinc/64/76/97/713647697.db2.gz PKFLQWJBMCNCMD-TWGQIWQCSA-N -1 0 342.395 2.807 20 30 EFEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000892483824 717918602 /nfs/dbraw/zinc/91/86/02/717918602.db2.gz BCDKTBFHKUIRFI-OAHLLOKOSA-N -1 0 336.395 2.547 20 30 EFEDRM CS(=O)(=O)[N-]C(=O)CCSc1ccccc1Br ZINC000048486734 713794893 /nfs/dbraw/zinc/79/48/93/713794893.db2.gz HFBZAOGCDPHJKR-UHFFFAOYSA-N -1 0 338.248 2.847 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255172929 714059127 /nfs/dbraw/zinc/05/91/27/714059127.db2.gz HFEOUBFWDAMRTJ-UHFFFAOYSA-N -1 0 349.368 2.813 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1cnc(-c2ccccc2)s1 ZINC000048532873 714119085 /nfs/dbraw/zinc/11/90/85/714119085.db2.gz XFALFQYHLSVMOQ-UHFFFAOYSA-N -1 0 345.405 2.899 20 30 EFEDRM CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000048613173 714120851 /nfs/dbraw/zinc/12/08/51/714120851.db2.gz ZSGPTFARPQGTGC-UHFFFAOYSA-N -1 0 325.430 2.883 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)c(C)ccc2C ZINC000121185451 714125270 /nfs/dbraw/zinc/12/52/70/714125270.db2.gz AOLWWZRNEBJHGK-AWEZNQCLSA-N -1 0 342.395 2.833 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121368787 714609774 /nfs/dbraw/zinc/60/97/74/714609774.db2.gz PVNHLYSBVIBIKY-INIZCTEOSA-N -1 0 337.379 2.508 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OC(F)F)cc1 ZINC000126664080 714666532 /nfs/dbraw/zinc/66/65/32/714666532.db2.gz ALLQMHUDIVRSHW-OAHLLOKOSA-N -1 0 344.317 2.927 20 30 EFEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000066003941 718023818 /nfs/dbraw/zinc/02/38/18/718023818.db2.gz ORYPLNUCVXWLBG-UHFFFAOYSA-N -1 0 326.443 2.983 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(OC)c1)c1ccccc1 ZINC000121272889 715213205 /nfs/dbraw/zinc/21/32/05/715213205.db2.gz NDUGWQBDOSKCSQ-AWEZNQCLSA-N -1 0 345.420 2.860 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)(F)F)C(=O)O1 ZINC000255472784 715271782 /nfs/dbraw/zinc/27/17/82/715271782.db2.gz YOVRGRVLMXHTDU-LMVHVUTASA-N -1 0 340.253 2.813 20 30 EFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893431998 715341477 /nfs/dbraw/zinc/34/14/77/715341477.db2.gz UWIBCOGZURFFAH-UHFFFAOYSA-N -1 0 331.821 2.756 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1oc2c(cccc2C)c1C ZINC000121163447 724386578 /nfs/dbraw/zinc/38/65/78/724386578.db2.gz LDKAUYUYDDOQFN-OAHLLOKOSA-N -1 0 342.395 2.915 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000026537046 715438122 /nfs/dbraw/zinc/43/81/22/715438122.db2.gz UHIQUJNJKUFKBV-UHFFFAOYSA-N -1 0 349.795 2.909 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000124865920 715513335 /nfs/dbraw/zinc/51/33/35/715513335.db2.gz UNYZSXZIKGKAJX-CYBMUJFWSA-N -1 0 325.393 2.755 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000124866109 715513519 /nfs/dbraw/zinc/51/35/19/715513519.db2.gz UNYZSXZIKGKAJX-ZDUSSCGKSA-N -1 0 325.393 2.755 20 30 EFEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000255514317 715604153 /nfs/dbraw/zinc/60/41/53/715604153.db2.gz SKSSIIVMOWLAOO-TWGQIWQCSA-N -1 0 336.307 2.777 20 30 EFEDRM O=C(CCCOc1ccccc1Cl)[N-]S(=O)(=O)N1CCCC1 ZINC000051900577 715803589 /nfs/dbraw/zinc/80/35/89/715803589.db2.gz NENHKZLMZPKMKT-UHFFFAOYSA-N -1 0 346.836 2.796 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000121416401 724424134 /nfs/dbraw/zinc/42/41/34/724424134.db2.gz XWJMZDHMEIEEQT-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000125151691 715988839 /nfs/dbraw/zinc/98/88/39/715988839.db2.gz SILGQQRMHWKVBN-LLVKDONJSA-N -1 0 344.714 2.604 20 30 EFEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052368357 716155633 /nfs/dbraw/zinc/15/56/33/716155633.db2.gz BUMPZCFQSJIKOO-UHFFFAOYSA-N -1 0 345.333 2.584 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1 ZINC000125569933 716483005 /nfs/dbraw/zinc/48/30/05/716483005.db2.gz BFUVAINBTSMEGR-MRXNPFEDSA-N -1 0 329.400 2.664 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(OC2CCCC2)cc1 ZINC000052772363 716584223 /nfs/dbraw/zinc/58/42/23/716584223.db2.gz VBQAOFZFQCIUTH-UHFFFAOYSA-N -1 0 338.429 2.653 20 30 EFEDRM Cc1ccc(C)c(C(=O)CCC(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052771953 716584591 /nfs/dbraw/zinc/58/45/91/716584591.db2.gz HWNUDJYAKQNGFG-UHFFFAOYSA-N -1 0 338.429 2.563 20 30 EFEDRM CC(C)Sc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1 ZINC000052771479 716584644 /nfs/dbraw/zinc/58/46/44/716584644.db2.gz LVHBHQUHPMVYRX-UHFFFAOYSA-N -1 0 328.459 2.832 20 30 EFEDRM O=C(CCCOc1ccc(Cl)cc1)[N-]S(=O)(=O)N1CCCC1 ZINC000052771884 716584825 /nfs/dbraw/zinc/58/48/25/716584825.db2.gz HUBCALWYFHDTGW-UHFFFAOYSA-N -1 0 346.836 2.796 20 30 EFEDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)[N-]S(=O)(=O)N2CCCC2)c1 ZINC000052792923 716605856 /nfs/dbraw/zinc/60/58/56/716605856.db2.gz DGLXZSRITYFYPU-LLVKDONJSA-N -1 0 346.836 2.713 20 30 EFEDRM C[C@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794441 716610448 /nfs/dbraw/zinc/61/04/48/716610448.db2.gz ZHVOGEXDRZTQSM-ZDUSSCGKSA-N -1 0 342.486 2.996 20 30 EFEDRM O=C(CCc1cccc(Cl)c1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795013 716611147 /nfs/dbraw/zinc/61/11/47/716611147.db2.gz RXTUEOQYYPASPC-UHFFFAOYSA-N -1 0 330.837 2.960 20 30 EFEDRM CCCCOc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1 ZINC000052793116 716613360 /nfs/dbraw/zinc/61/33/60/716613360.db2.gz KSKGXKLMKNLKGX-UHFFFAOYSA-N -1 0 326.418 2.511 20 30 EFEDRM O=C(CCc1ncc(-c2ccccc2)o1)[N-]S(=O)(=O)N1CCCC1 ZINC000052793328 716614270 /nfs/dbraw/zinc/61/42/70/716614270.db2.gz GLEOAFLJNCMGDG-UHFFFAOYSA-N -1 0 349.412 2.571 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000176818625 716696761 /nfs/dbraw/zinc/69/67/61/716696761.db2.gz ONPSAIOILGZNCV-UHFFFAOYSA-N -1 0 340.364 2.947 20 30 EFEDRM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176824863 716715808 /nfs/dbraw/zinc/71/58/08/716715808.db2.gz HDYZLAPGNLKEFK-UHFFFAOYSA-N -1 0 339.380 2.682 20 30 EFEDRM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2[O-])c(C)n1 ZINC000176824568 716715970 /nfs/dbraw/zinc/71/59/70/716715970.db2.gz WXJKTGPIZAFPNR-UHFFFAOYSA-N -1 0 342.424 2.964 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1 ZINC000125597384 716862063 /nfs/dbraw/zinc/86/20/63/716862063.db2.gz VRMJHJZMPLXLPX-AWEZNQCLSA-N -1 0 331.372 2.922 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000051897210 716900782 /nfs/dbraw/zinc/90/07/82/716900782.db2.gz RCRLAUVMFZMWRP-UHFFFAOYSA-N -1 0 340.426 2.716 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1-c1ccccn1 ZINC000166784119 716967494 /nfs/dbraw/zinc/96/74/94/716967494.db2.gz AMLFVCBVRUPRSJ-INIZCTEOSA-N -1 0 349.390 2.702 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2nnc3n2CCCC3)c1[O-] ZINC000255626242 717192982 /nfs/dbraw/zinc/19/29/82/717192982.db2.gz RUHRNEUIOIFMAY-APSNUPSMSA-N -1 0 335.751 2.501 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000255635788 717292082 /nfs/dbraw/zinc/29/20/82/717292082.db2.gz DJIAQQOCHWHAHN-JPYSRSMKSA-N -1 0 338.388 2.688 20 30 EFEDRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000065764362 717347232 /nfs/dbraw/zinc/34/72/32/717347232.db2.gz UOSDNNFLHFRXMP-UHFFFAOYSA-N -1 0 346.836 2.538 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC000892427847 717379422 /nfs/dbraw/zinc/37/94/22/717379422.db2.gz QZRHPIZUAHRDOP-UHFFFAOYSA-N -1 0 334.397 2.520 20 30 EFEDRM O=C(C/N=C\c1cc(Cl)cc(Cl)c1[O-])NCC(F)(F)F ZINC000255673599 717381441 /nfs/dbraw/zinc/38/14/41/717381441.db2.gz RLDBJQDBVFZBCG-YPEHOIGNSA-N -1 0 329.105 2.796 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1F ZINC000105429590 717423373 /nfs/dbraw/zinc/42/33/73/717423373.db2.gz BKHHAPAPGDHREI-AWEZNQCLSA-N -1 0 345.374 2.555 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892464728 717665773 /nfs/dbraw/zinc/66/57/73/717665773.db2.gz JCZGGHLVIYNXKY-ZDUSSCGKSA-N -1 0 348.472 2.762 20 30 EFEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000892466051 717692566 /nfs/dbraw/zinc/69/25/66/717692566.db2.gz XCJVRIYJXFRNNK-INIZCTEOSA-N -1 0 343.427 2.521 20 30 EFEDRM C#CCCCS(=O)(=O)[N-]c1nc(COc2ccccc2)cs1 ZINC000840946049 717845085 /nfs/dbraw/zinc/84/50/85/717845085.db2.gz GVQDZRPJRGNVKJ-UHFFFAOYSA-N -1 0 336.438 2.877 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000127263936 724479891 /nfs/dbraw/zinc/47/98/91/724479891.db2.gz BSKBSNOMLWYFJC-CQSZACIVSA-N -1 0 329.356 2.675 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(F)c(C)c2)nc1C ZINC000892518027 718195353 /nfs/dbraw/zinc/19/53/53/718195353.db2.gz IKNYQUISEKKUJL-LLVKDONJSA-N -1 0 331.372 2.635 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2Br)C(=O)O1 ZINC000003543743 718219909 /nfs/dbraw/zinc/21/99/09/718219909.db2.gz DMSPCRKFINVEPC-UZYOAWRESA-N -1 0 335.153 2.677 20 30 EFEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000892550381 718271242 /nfs/dbraw/zinc/27/12/42/718271242.db2.gz HUPLHVBHNQLMDO-VIFPVBQESA-N -1 0 335.820 2.913 20 30 EFEDRM CC(C)n1c(CNC(=O)CSc2ccc(C#N)cc2)n[nH]c1=S ZINC000066640149 718283294 /nfs/dbraw/zinc/28/32/94/718283294.db2.gz TWSIMUCBQNXNSJ-UHFFFAOYSA-N -1 0 347.469 2.802 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)c(F)c2)C(=O)O1 ZINC000255905716 718341729 /nfs/dbraw/zinc/34/17/29/718341729.db2.gz UPZULCNWSKEOLI-XBPVQUQDSA-N -1 0 340.253 2.655 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000122147879 718383169 /nfs/dbraw/zinc/38/31/69/718383169.db2.gz GHZWSXYSGVMYFL-PBHICJAKSA-N -1 0 345.358 2.531 20 30 EFEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000067003437 719187577 /nfs/dbraw/zinc/18/75/77/719187577.db2.gz MROSJFQSFZWYLP-LLVKDONJSA-N -1 0 328.459 2.640 20 30 EFEDRM C#CCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909324428 719397700 /nfs/dbraw/zinc/39/77/00/719397700.db2.gz ZKRWIAVSWHPSEM-HNNXBMFYSA-N -1 0 338.201 2.669 20 30 EFEDRM COc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1Cl ZINC000122699494 719685209 /nfs/dbraw/zinc/68/52/09/719685209.db2.gz SJCPCPDTNKFTSQ-GFCCVEGCSA-N -1 0 345.786 2.606 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000120204140 720013903 /nfs/dbraw/zinc/01/39/03/720013903.db2.gz NLKPMEJXCJOIMM-UHFFFAOYSA-N -1 0 342.417 2.901 20 30 EFEDRM O=C(Nc1n[nH]c(-c2ccccn2)n1)c1c(Cl)nc2ccccn21 ZINC000053527671 720822122 /nfs/dbraw/zinc/82/21/22/720822122.db2.gz AQECVYUSQKIWKQ-UHFFFAOYSA-N -1 0 339.746 2.804 20 30 EFEDRM O=C(NCc1nc(C(F)(F)F)n[nH]1)c1csc([C@@H]2CCCO2)n1 ZINC000330166007 720833005 /nfs/dbraw/zinc/83/30/05/720833005.db2.gz XOPJKCAJTQMLNP-ZETCQYMHSA-N -1 0 347.322 2.636 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000123520457 720841660 /nfs/dbraw/zinc/84/16/60/720841660.db2.gz ZQZYPLVAINGXIA-UHFFFAOYSA-N -1 0 340.445 2.810 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2scnc2C)n1 ZINC000840604375 721109488 /nfs/dbraw/zinc/10/94/88/721109488.db2.gz WUOQXAIMCWKMRO-NSHDSACASA-N -1 0 349.437 2.569 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2nc(C)cs2)c1 ZINC000124042104 721252844 /nfs/dbraw/zinc/25/28/44/721252844.db2.gz RIUGZBQVXOUGOQ-CQSZACIVSA-N -1 0 325.393 2.743 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000124173626 721383375 /nfs/dbraw/zinc/38/33/75/721383375.db2.gz WBYWWYYYDBXBGX-CYBMUJFWSA-N -1 0 342.317 2.571 20 30 EFEDRM Cc1cc(CSc2ccccc2C(=O)[N-]S(C)(=O)=O)on1 ZINC000048480314 722151086 /nfs/dbraw/zinc/15/10/86/722151086.db2.gz APINKQZNPPTLEG-UHFFFAOYSA-N -1 0 326.399 2.540 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000048554374 722636650 /nfs/dbraw/zinc/63/66/50/722636650.db2.gz WYJOHZUZDAWMEN-UHFFFAOYSA-N -1 0 325.365 2.650 20 30 EFEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(Br)cc1 ZINC000917554368 728759461 /nfs/dbraw/zinc/75/94/61/728759461.db2.gz CUUXEDJATBABEG-UHFFFAOYSA-N -1 0 331.177 2.952 20 30 EFEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1nc2ccccc2n1C(F)F ZINC000917555893 728759720 /nfs/dbraw/zinc/75/97/20/728759720.db2.gz QKBMCOLJEZRZSB-UHFFFAOYSA-N -1 0 342.313 2.934 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC2)c1 ZINC000181285635 728827666 /nfs/dbraw/zinc/82/76/66/728827666.db2.gz QLQGXHJAESBFSK-UHFFFAOYSA-N -1 0 334.441 2.557 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000179025933 723822554 /nfs/dbraw/zinc/82/25/54/723822554.db2.gz UMYXBNMGLKQYOG-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000918156671 728847376 /nfs/dbraw/zinc/84/73/76/728847376.db2.gz RYCZRWJXCAFZQJ-QPJJXVBHSA-N -1 0 336.390 2.746 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cscc2Br)C(=O)O1 ZINC000794689699 723831822 /nfs/dbraw/zinc/83/18/22/723831822.db2.gz CPLAQDSAUMKFOD-ZZKXABKFSA-N -1 0 341.182 2.739 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)ccc2F)n1 ZINC000727215283 723862007 /nfs/dbraw/zinc/86/20/07/723862007.db2.gz PVAMQTOPLWYXGH-LBPRGKRZSA-N -1 0 332.356 2.932 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000126962261 723942141 /nfs/dbraw/zinc/94/21/41/723942141.db2.gz WRZDAXQKQFTVRX-QGZVFWFLSA-N -1 0 344.374 2.511 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000130572813 728859252 /nfs/dbraw/zinc/85/92/52/728859252.db2.gz LUEFIIGLDUVLPL-AWEZNQCLSA-N -1 0 332.400 2.721 20 30 EFEDRM CC(C)(CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])S(C)(=O)=O ZINC000840713572 724045808 /nfs/dbraw/zinc/04/58/08/724045808.db2.gz SXKHNHWDMCFRAK-NVNXTCNLSA-N -1 0 348.808 2.586 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000728510069 724066114 /nfs/dbraw/zinc/06/61/14/724066114.db2.gz BNCXESZAVYVZKG-UHFFFAOYSA-N -1 0 343.404 2.808 20 30 EFEDRM CC(=NNS(=O)(=O)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000727651437 724290610 /nfs/dbraw/zinc/29/06/10/724290610.db2.gz YSLUNLKUSPMTFL-UHFFFAOYSA-N -1 0 325.217 2.751 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000263383341 725724678 /nfs/dbraw/zinc/72/46/78/725724678.db2.gz DDHBKLAUCOUPDS-MRXNPFEDSA-N -1 0 335.285 2.825 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000321699300 726031884 /nfs/dbraw/zinc/03/18/84/726031884.db2.gz VXKSAHISLBSPKW-UHFFFAOYSA-N -1 0 347.783 2.915 20 30 EFEDRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000730405890 726127811 /nfs/dbraw/zinc/12/78/11/726127811.db2.gz NFCNAOSWLPNHQD-UHFFFAOYSA-N -1 0 348.811 2.947 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(Br)c1 ZINC000152594050 726184936 /nfs/dbraw/zinc/18/49/36/726184936.db2.gz LDSFVDXRVGHDKZ-LLYBFZRZSA-N -1 0 349.180 2.986 20 30 EFEDRM C#CCSCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000897499261 726334679 /nfs/dbraw/zinc/33/46/79/726334679.db2.gz JHNJQKJNHXOEGX-UHFFFAOYSA-N -1 0 332.194 2.502 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000929034590 726337700 /nfs/dbraw/zinc/33/77/00/726337700.db2.gz UMIFPJKHVAAOTN-NXEZZACHSA-N -1 0 346.836 2.808 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccsc1 ZINC000054488478 726353367 /nfs/dbraw/zinc/35/33/67/726353367.db2.gz BIPLAHRGSBZPKI-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccn2C(C)C)cc1 ZINC000153440145 726844755 /nfs/dbraw/zinc/84/47/55/726844755.db2.gz CZQYTHPXVQDQBK-INIZCTEOSA-N -1 0 339.395 2.716 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1C ZINC000193366854 726873718 /nfs/dbraw/zinc/87/37/18/726873718.db2.gz FVGNDZCYPLSIHA-CQSZACIVSA-N -1 0 332.448 2.966 20 30 EFEDRM Cc1cccc(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC000731559840 726894848 /nfs/dbraw/zinc/89/48/48/726894848.db2.gz LYVCWPYXMTZRON-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC000907609368 726970436 /nfs/dbraw/zinc/97/04/36/726970436.db2.gz BOTTZVIIBCYLAT-SWLSCSKDSA-N -1 0 335.400 2.938 20 30 EFEDRM N#CC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)CCSCC1 ZINC000907853602 727032704 /nfs/dbraw/zinc/03/27/04/727032704.db2.gz LNQWZBSAUMEDQI-AWEZNQCLSA-N -1 0 338.473 2.811 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000129135246 727038695 /nfs/dbraw/zinc/03/86/95/727038695.db2.gz POZIPSGRAXBBHL-GOSISDBHSA-N -1 0 334.375 2.867 20 30 EFEDRM CCCCCCCCC/C=C\C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000907943299 727058959 /nfs/dbraw/zinc/05/89/59/727058959.db2.gz HBOBLLZGTZKFFC-KHPPLWFESA-N -1 0 349.479 2.707 20 30 EFEDRM N#CC1(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908179069 727113912 /nfs/dbraw/zinc/11/39/12/727113912.db2.gz GYORNRKITVASFV-UIORMTCPSA-N -1 0 336.457 2.706 20 30 EFEDRM Cc1ccc(F)c2c1C(=N[N-]c1oc(C(C)C)nc1C#N)C(=O)N2 ZINC000732713175 727194988 /nfs/dbraw/zinc/19/49/88/727194988.db2.gz YVZIVSPUFNGZLY-UHFFFAOYSA-N -1 0 327.319 2.886 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cccs2)n1 ZINC000213868399 727198049 /nfs/dbraw/zinc/19/80/49/727198049.db2.gz LQUCMAOLGGJYFB-QMAVJUDZSA-N -1 0 332.406 2.946 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC000908616858 727232150 /nfs/dbraw/zinc/23/21/50/727232150.db2.gz CRQOATNLSFJDCQ-HNNXBMFYSA-N -1 0 327.384 2.895 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000908846854 727274624 /nfs/dbraw/zinc/27/46/24/727274624.db2.gz DYZNEMRAACXBBK-INIZCTEOSA-N -1 0 331.416 2.505 20 30 EFEDRM C=CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000908909777 727286973 /nfs/dbraw/zinc/28/69/73/727286973.db2.gz NLIIGQZTODQIFV-UHFFFAOYSA-N -1 0 335.400 2.719 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC1CCC(O)(c2ccccc2)CC1)C(=O)[O-] ZINC000909057168 727315580 /nfs/dbraw/zinc/31/55/80/727315580.db2.gz SNUKOJPFBNRITA-KOHRHEQBSA-N -1 0 346.427 2.535 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909097118 727321944 /nfs/dbraw/zinc/32/19/44/727321944.db2.gz KACXBJNHIOHIDK-RDJZCZTQSA-N -1 0 345.443 2.622 20 30 EFEDRM C=CCCOCCNC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909114267 727324771 /nfs/dbraw/zinc/32/47/71/727324771.db2.gz BNNNMLIMXZTBOT-UHFFFAOYSA-N -1 0 340.807 2.529 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1c(F)cccc1SC)C(=O)[O-] ZINC000909146707 727336336 /nfs/dbraw/zinc/33/63/36/727336336.db2.gz BSFXDYAHXRRKDT-GFCCVEGCSA-N -1 0 326.393 2.766 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000909182922 727338564 /nfs/dbraw/zinc/33/85/64/727338564.db2.gz PDEZEMDIJHIVFX-BBWFWOEESA-N -1 0 346.427 2.525 20 30 EFEDRM C=CCC[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909712392 727366117 /nfs/dbraw/zinc/36/61/17/727366117.db2.gz JJFZNCZQUFARLV-QWHCGFSZSA-N -1 0 346.210 2.953 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)[O-] ZINC000909713143 727366319 /nfs/dbraw/zinc/36/63/19/727366319.db2.gz FITYFFLHNXFEHJ-SNVBAGLBSA-N -1 0 341.289 2.502 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)C(=O)[O-] ZINC000909715519 727366574 /nfs/dbraw/zinc/36/65/74/727366574.db2.gz MKFWCLSPOZOFEK-TZMCWYRMSA-N -1 0 336.819 2.702 20 30 EFEDRM C#CCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909692111 727367401 /nfs/dbraw/zinc/36/74/01/727367401.db2.gz ANBYGPZGFUCZJW-GUYCJALGSA-N -1 0 325.364 2.510 20 30 EFEDRM C#CCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909692110 727367545 /nfs/dbraw/zinc/36/75/45/727367545.db2.gz ANBYGPZGFUCZJW-DYVFJYSZSA-N -1 0 325.364 2.510 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccn2)c1C(C)C)C(=O)[O-] ZINC000909718411 727368291 /nfs/dbraw/zinc/36/82/91/727368291.db2.gz NUYSDXMMBGODRL-CQSZACIVSA-N -1 0 342.399 2.540 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-] ZINC000909767789 727373264 /nfs/dbraw/zinc/37/32/64/727373264.db2.gz QLEZJZJIPDKZDN-OAHLLOKOSA-N -1 0 331.368 2.942 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC000909771275 727373678 /nfs/dbraw/zinc/37/36/78/727373678.db2.gz LXLLKXLRZUZISD-QGZVFWFLSA-N -1 0 346.427 2.817 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)OCC ZINC000909799267 727375943 /nfs/dbraw/zinc/37/59/43/727375943.db2.gz WKERGWRYEOAJMH-CJNGLKHVSA-N -1 0 335.400 2.699 20 30 EFEDRM C#CCCCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000909806816 727381673 /nfs/dbraw/zinc/38/16/73/727381673.db2.gz QZGGNGOGCALSCN-UHFFFAOYSA-N -1 0 338.201 2.666 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)OCC ZINC000909855511 727386039 /nfs/dbraw/zinc/38/60/39/727386039.db2.gz HBYZQVAJCDDGFE-VQIMIIECSA-N -1 0 331.412 2.613 20 30 EFEDRM C#CC[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000910053157 727406094 /nfs/dbraw/zinc/40/60/94/727406094.db2.gz DFTUGYAVKNQEPJ-VIFPVBQESA-N -1 0 334.224 2.970 20 30 EFEDRM C#CC[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910055147 727406128 /nfs/dbraw/zinc/40/61/28/727406128.db2.gz YITWVKLHMGMOKB-QGZVFWFLSA-N -1 0 329.396 2.533 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910054774 727406167 /nfs/dbraw/zinc/40/61/67/727406167.db2.gz SMUZEKXJHHEUAD-NOZJJQNGSA-N -1 0 328.195 2.765 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000910068750 727409901 /nfs/dbraw/zinc/40/99/01/727409901.db2.gz JFJPINVJRPEKKR-KSSFIOAISA-N -1 0 341.407 2.933 20 30 EFEDRM C=CC[C@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000910120450 727415356 /nfs/dbraw/zinc/41/53/56/727415356.db2.gz RSFISOGSAUUFDJ-INIZCTEOSA-N -1 0 331.412 2.734 20 30 EFEDRM C#CCCCC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000910167787 727416526 /nfs/dbraw/zinc/41/65/26/727416526.db2.gz MHXXWCPCNHGQNZ-UHFFFAOYSA-N -1 0 342.214 2.855 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)Oc2ccccc2)n1 ZINC000028080218 727417012 /nfs/dbraw/zinc/41/70/12/727417012.db2.gz ARMFPQCVMRNVQJ-GXTWGEPZSA-N -1 0 344.392 2.639 20 30 EFEDRM C=CCCC[C@H](C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910226861 727420063 /nfs/dbraw/zinc/42/00/63/727420063.db2.gz CXZSSZJHVMYNCU-PVAVHDDUSA-N -1 0 331.412 2.827 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910251329 727424015 /nfs/dbraw/zinc/42/40/15/727424015.db2.gz IXHQOCQKBOFMPF-SGTLLEGYSA-N -1 0 342.395 2.506 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(Cc2ccccn2)c1C)C(=O)[O-] ZINC000910288616 727428040 /nfs/dbraw/zinc/42/80/40/727428040.db2.gz YONRRHAMAXDGQC-QGZVFWFLSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncc(C(=O)[O-])c(C)n1 ZINC000910310073 727429706 /nfs/dbraw/zinc/42/97/06/727429706.db2.gz ZXAQOZOLTMILJN-UHFFFAOYSA-N -1 0 329.404 2.843 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000910293531 727430943 /nfs/dbraw/zinc/43/09/43/727430943.db2.gz JRGMQEWMGNWZMW-NWDGAFQWSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCN(CC=C)c1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000910337157 727432056 /nfs/dbraw/zinc/43/20/56/727432056.db2.gz YTOWQBCSVMEVDI-UHFFFAOYSA-N -1 0 346.456 2.938 20 30 EFEDRM C=CC(C)(C)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000910380746 727437467 /nfs/dbraw/zinc/43/74/67/727437467.db2.gz YEAAHPPOCNHKKP-LBPRGKRZSA-N -1 0 345.317 2.909 20 30 EFEDRM CCOc1ccc(C[C@H](CNc2ccc(C#N)nc2)C(=O)[O-])cc1 ZINC000910409715 727438786 /nfs/dbraw/zinc/43/87/86/727438786.db2.gz SKLOHGQXXYKNEV-CQSZACIVSA-N -1 0 325.368 2.707 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910577333 727451439 /nfs/dbraw/zinc/45/14/39/727451439.db2.gz BLSXKBRNQLTOOH-SWLSCSKDSA-N -1 0 331.368 2.526 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910577331 727451453 /nfs/dbraw/zinc/45/14/53/727451453.db2.gz BLSXKBRNQLTOOH-DOMZBBRYSA-N -1 0 331.368 2.526 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)OCC ZINC000910686870 727458813 /nfs/dbraw/zinc/45/88/13/727458813.db2.gz ZVCNQAKXJXMDIM-ZYHUDNBSSA-N -1 0 338.429 2.642 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NCC(C)(C)CC(=O)[O-])cc1OC ZINC000910823579 727466442 /nfs/dbraw/zinc/46/64/42/727466442.db2.gz HTXRCXVKPOJSTE-CLFYSBASSA-N -1 0 347.411 2.890 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1oc(Br)cc1C)C(=O)[O-] ZINC000910913810 727471680 /nfs/dbraw/zinc/47/16/80/727471680.db2.gz DERBMEKRKGSFTC-VIFPVBQESA-N -1 0 330.178 2.890 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)C(=O)[O-] ZINC000910913437 727471709 /nfs/dbraw/zinc/47/17/09/727471709.db2.gz WTWZVLJQQOSVKA-LLVKDONJSA-N -1 0 346.305 2.562 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000910914771 727471793 /nfs/dbraw/zinc/47/17/93/727471793.db2.gz OFPKJAQBVNIXEW-MRXNPFEDSA-N -1 0 339.395 2.991 20 30 EFEDRM C=CCCC[C@H](NC(=O)/C=C\c1ccc(O)c(OCC)c1)C(=O)[O-] ZINC000910915983 727471856 /nfs/dbraw/zinc/47/18/56/727471856.db2.gz SBFOORLUYPOTCK-FPAJZGIOSA-N -1 0 333.384 2.730 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)C(=O)[O-] ZINC000910915364 727471890 /nfs/dbraw/zinc/47/18/90/727471890.db2.gz YEEVWHNQRQMZBC-OAHLLOKOSA-N -1 0 344.411 2.599 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC)cc1OC(F)F)C(=O)[O-] ZINC000910916263 727471959 /nfs/dbraw/zinc/47/19/59/727471959.db2.gz GKSRWNACGQDXMU-LBPRGKRZSA-N -1 0 343.326 2.836 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC)cc1OC(F)F)C(=O)[O-] ZINC000910916261 727471965 /nfs/dbraw/zinc/47/19/65/727471965.db2.gz GKSRWNACGQDXMU-GFCCVEGCSA-N -1 0 343.326 2.836 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000910917170 727472035 /nfs/dbraw/zinc/47/20/35/727472035.db2.gz NAYQCWPXBMYFHK-GJZGRUSLSA-N -1 0 338.835 2.868 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000910919537 727472116 /nfs/dbraw/zinc/47/21/16/727472116.db2.gz WYCIBDOZQZXQNR-ZDUSSCGKSA-N -1 0 327.327 2.756 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2csnn2)cc1)C(=O)[O-] ZINC000910921783 727472131 /nfs/dbraw/zinc/47/21/31/727472131.db2.gz FYWPEBGYOBOKAT-CYBMUJFWSA-N -1 0 331.397 2.744 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)C(=O)[O-] ZINC000910925707 727472403 /nfs/dbraw/zinc/47/24/03/727472403.db2.gz NSXJPHNJAIUORC-OAHLLOKOSA-N -1 0 333.432 2.956 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000910926543 727472433 /nfs/dbraw/zinc/47/24/33/727472433.db2.gz LFTKDFDUQIEZGY-GVDBMIGSSA-N -1 0 330.428 2.782 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000910926542 727472498 /nfs/dbraw/zinc/47/24/98/727472498.db2.gz LFTKDFDUQIEZGY-BBWFWOEESA-N -1 0 330.428 2.782 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)oc1C)C(=O)[O-] ZINC000910927160 727472550 /nfs/dbraw/zinc/47/25/50/727472550.db2.gz XRYQDIITBXDCTE-JTQLQIEISA-N -1 0 330.178 2.890 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911068092 727493966 /nfs/dbraw/zinc/49/39/66/727493966.db2.gz WXZHCHYFSIJCQE-GXFFZTMASA-N -1 0 345.317 2.929 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000911152398 727502484 /nfs/dbraw/zinc/50/24/84/727502484.db2.gz TUMIBWGYJLOFTF-JKSUJKDBSA-N -1 0 334.375 2.921 20 30 EFEDRM C=C(C)[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccc(F)c(F)c1 ZINC000911678887 727580650 /nfs/dbraw/zinc/58/06/50/727580650.db2.gz NNXILWRVOVRDBA-SEWBAHNZSA-N -1 0 339.338 2.576 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000911745052 727591973 /nfs/dbraw/zinc/59/19/73/727591973.db2.gz AFYGSLJCHINPIV-UHFFFAOYSA-N -1 0 342.399 2.776 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000911747797 727592809 /nfs/dbraw/zinc/59/28/09/727592809.db2.gz PGGHXKIUOUBOTH-UHFFFAOYSA-N -1 0 342.399 2.776 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1ncnc3sccc31)O2 ZINC000915956103 727642461 /nfs/dbraw/zinc/64/24/61/727642461.db2.gz ONUAGEYZBLOKLV-UHFFFAOYSA-N -1 0 326.337 2.706 20 30 EFEDRM O=C([O-])COc1ccc(C=NNCc2cccc3cccnc32)cc1 ZINC000915959870 727642707 /nfs/dbraw/zinc/64/27/07/727642707.db2.gz SWONLJRJQWLTCO-UHFFFAOYSA-N -1 0 335.363 2.822 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=c1[nH]c3cc(F)c(F)cc3[nH]1)O2 ZINC000915959768 727642721 /nfs/dbraw/zinc/64/27/21/727642721.db2.gz WRAPKDVUIGGSJX-UHFFFAOYSA-N -1 0 344.277 2.856 20 30 EFEDRM O=C([O-])CCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1 ZINC000915934947 727642776 /nfs/dbraw/zinc/64/27/76/727642776.db2.gz OFPMVKDZSLSPGK-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=c1sc3ccccc3n1C)O2 ZINC000915935953 727642845 /nfs/dbraw/zinc/64/28/45/727642845.db2.gz XMISNFVPEYUKKC-UHFFFAOYSA-N -1 0 339.376 2.743 20 30 EFEDRM COc1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000915988810 727646060 /nfs/dbraw/zinc/64/60/60/727646060.db2.gz IBEXKESRWFEAEW-NSIKDUERSA-N -1 0 343.291 2.939 20 30 EFEDRM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1nccnc1Cl ZINC000733078573 727659720 /nfs/dbraw/zinc/65/97/20/727659720.db2.gz FUSTWIOCJXKPRS-UHFFFAOYSA-N -1 0 326.118 2.691 20 30 EFEDRM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1nccnc1Cl ZINC000733079852 727662835 /nfs/dbraw/zinc/66/28/35/727662835.db2.gz VTTVAWLZVCLSAC-UHFFFAOYSA-N -1 0 341.680 2.917 20 30 EFEDRM COc1cc(OC)c(C=NNc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000916240414 727668233 /nfs/dbraw/zinc/66/82/33/727668233.db2.gz IYDCEMADFKMHHW-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM CCN(CCO)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000916255353 727669782 /nfs/dbraw/zinc/66/97/82/727669782.db2.gz UUMCOFXQCMZXIU-UHFFFAOYSA-N -1 0 341.411 2.958 20 30 EFEDRM CCOc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1OCC ZINC000916283133 727671456 /nfs/dbraw/zinc/67/14/56/727671456.db2.gz ZYZUSXRCHMQNSQ-UHFFFAOYSA-N -1 0 331.376 2.519 20 30 EFEDRM Cn1c2ccccc2sc1=NN=Cc1ccccc1OCC(=O)[O-] ZINC000916271467 727672326 /nfs/dbraw/zinc/67/23/26/727672326.db2.gz SQPPRHUADULGEN-UHFFFAOYSA-N -1 0 341.392 2.638 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000916277569 727672748 /nfs/dbraw/zinc/67/27/48/727672748.db2.gz LSKQYOZDTGOQTA-GXTWGEPZSA-N -1 0 349.456 2.527 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(N2CCCCC2)cc1 ZINC000916279626 727672950 /nfs/dbraw/zinc/67/29/50/727672950.db2.gz DKGNYTAISGDRRZ-UHFFFAOYSA-N -1 0 326.404 2.712 20 30 EFEDRM CCOc1cccc2cc(C(C)=NNc3nnc(C)c(=O)[n-]3)oc21 ZINC000916282697 727673603 /nfs/dbraw/zinc/67/36/03/727673603.db2.gz NEJDJEURHUEWQT-UHFFFAOYSA-N -1 0 327.344 2.867 20 30 EFEDRM COc1cccc(NC(=S)NN=Cc2ccccc2C(=O)[O-])c1 ZINC000916298093 727674751 /nfs/dbraw/zinc/67/47/51/727674751.db2.gz FGUUBRPGRZCNGS-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM CCOc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OC ZINC000916303275 727675271 /nfs/dbraw/zinc/67/52/71/727675271.db2.gz AYQZFBYZIVDANP-UHFFFAOYSA-N -1 0 346.334 2.875 20 30 EFEDRM O=c1[nH]c2ccccc2cc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916305515 727675346 /nfs/dbraw/zinc/67/53/46/727675346.db2.gz TZZWGWUBKLIRRI-UHFFFAOYSA-N -1 0 339.302 2.722 20 30 EFEDRM CCCCCNC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000916360991 727679268 /nfs/dbraw/zinc/67/92/68/727679268.db2.gz MXAOOBVYULSATJ-UHFFFAOYSA-N -1 0 344.824 2.942 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)ccc1O ZINC000916546809 727694615 /nfs/dbraw/zinc/69/46/15/727694615.db2.gz GZVAMSIMMJEGHU-ZZXKWVIFSA-N -1 0 342.347 2.933 20 30 EFEDRM COCc1c(C([O-])=C(C#N)C(=O)NC2CC2)sc2cccc(F)c21 ZINC000129441404 727730322 /nfs/dbraw/zinc/73/03/22/727730322.db2.gz MZSLMIKLXKYZEB-SNVBAGLBSA-N -1 0 346.383 2.788 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000916758506 727735891 /nfs/dbraw/zinc/73/58/91/727735891.db2.gz BRDGRKQMKCKDLY-UHFFFAOYSA-N -1 0 341.429 2.623 20 30 EFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)c1C ZINC000916802095 727736730 /nfs/dbraw/zinc/73/67/30/727736730.db2.gz AEOSXEIQZDDSKE-UHFFFAOYSA-N -1 0 342.420 2.911 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000916876683 727740459 /nfs/dbraw/zinc/74/04/59/727740459.db2.gz GKQVKDUFRVWJOZ-NSHDSACASA-N -1 0 327.306 2.729 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916890460 727740721 /nfs/dbraw/zinc/74/07/21/727740721.db2.gz HZFXZMWUZSWHGW-SNVBAGLBSA-N -1 0 336.800 2.640 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000916917174 727741619 /nfs/dbraw/zinc/74/16/19/727741619.db2.gz AOBIUBVEYVWCGF-GOSISDBHSA-N -1 0 334.375 2.890 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1sc(-c2cccs2)nc1C ZINC000916918652 727741818 /nfs/dbraw/zinc/74/18/18/727741818.db2.gz VBZZWKXSUPMYIY-SNVBAGLBSA-N -1 0 331.422 2.805 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCOCC(F)(F)F)c1[O-] ZINC000912782301 727743990 /nfs/dbraw/zinc/74/39/90/727743990.db2.gz ITTFHVGUKFEMSV-BNCCVWRVSA-N -1 0 326.658 2.952 20 30 EFEDRM O=[N+]([O-])c1cc(C=NNc2nc3cc(F)c(F)cc3[nH]2)ccc1[O-] ZINC000912825348 727748264 /nfs/dbraw/zinc/74/82/64/727748264.db2.gz UJHOSIBYIRDWDL-UHFFFAOYSA-N -1 0 333.254 2.901 20 30 EFEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917044593 727756496 /nfs/dbraw/zinc/75/64/96/727756496.db2.gz LKOXVBTUKQWUAT-OAHLLOKOSA-N -1 0 336.395 2.766 20 30 EFEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1ccsc1 ZINC000917032197 727757037 /nfs/dbraw/zinc/75/70/37/727757037.db2.gz HEUTYJPJDWTKCM-UHFFFAOYSA-N -1 0 348.409 2.967 20 30 EFEDRM C=CCC1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCCCC1 ZINC000913439019 727839340 /nfs/dbraw/zinc/83/93/40/727839340.db2.gz WHRFNQSEWSQBDQ-HNNXBMFYSA-N -1 0 325.416 2.932 20 30 EFEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000054801368 727879962 /nfs/dbraw/zinc/87/99/62/727879962.db2.gz PBMAGZJTCFGIFI-UHFFFAOYSA-N -1 0 330.365 2.650 20 30 EFEDRM Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000070035131 727950357 /nfs/dbraw/zinc/95/03/57/727950357.db2.gz CGKSPNHKFJLDFV-UHFFFAOYSA-N -1 0 345.490 2.685 20 30 EFEDRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000070036508 727950888 /nfs/dbraw/zinc/95/08/88/727950888.db2.gz SBARRHIVXZMUAW-ZDUSSCGKSA-N -1 0 331.821 2.738 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183126699 727968303 /nfs/dbraw/zinc/96/83/03/727968303.db2.gz LJLQYZUADMJHKN-ZDUSSCGKSA-N -1 0 341.392 2.958 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000183127553 727968390 /nfs/dbraw/zinc/96/83/90/727968390.db2.gz VLDNTHNTWOBSON-LBPRGKRZSA-N -1 0 327.365 2.650 20 30 EFEDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000045100342 727972559 /nfs/dbraw/zinc/97/25/59/727972559.db2.gz LEAUQZSJOKMAGN-UHFFFAOYSA-N -1 0 328.390 2.734 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1 ZINC000183135617 727974949 /nfs/dbraw/zinc/97/49/49/727974949.db2.gz WUFPEYPJMHGYQG-CYBMUJFWSA-N -1 0 346.408 2.925 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165590121 728058498 /nfs/dbraw/zinc/05/84/98/728058498.db2.gz LFGBXWFBUHOGQS-SECBINFHSA-N -1 0 349.106 2.536 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c1Cl ZINC000058056142 728133495 /nfs/dbraw/zinc/13/34/95/728133495.db2.gz AMCJSSOFMOJSDG-UHFFFAOYSA-N -1 0 349.799 2.920 20 30 EFEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058113311 728144517 /nfs/dbraw/zinc/14/45/17/728144517.db2.gz LTRNKOSFUFKUKB-UHFFFAOYSA-N -1 0 347.421 2.822 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000131014579 728154062 /nfs/dbraw/zinc/15/40/62/728154062.db2.gz CCGMTOSKFUDLIX-CQSZACIVSA-N -1 0 344.802 2.681 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1 ZINC000167732048 728227580 /nfs/dbraw/zinc/22/75/80/728227580.db2.gz XMCNDWCQIAFIIQ-HNNXBMFYSA-N -1 0 337.379 2.508 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000157963372 728265455 /nfs/dbraw/zinc/26/54/55/728265455.db2.gz IDHYYKWFMPIHFD-UHFFFAOYSA-N -1 0 330.340 2.510 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000157990524 728268678 /nfs/dbraw/zinc/26/86/78/728268678.db2.gz LURQQWZQZZHKNI-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000131035222 728332779 /nfs/dbraw/zinc/33/27/79/728332779.db2.gz VJYQCRPXNDRZBB-ZDUSSCGKSA-N -1 0 329.381 2.782 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)COCCc1ccccc1 ZINC000060765329 728421042 /nfs/dbraw/zinc/42/10/42/728421042.db2.gz QWJWHMDMRIWOLY-UHFFFAOYSA-N -1 0 333.409 2.900 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000170709781 728467153 /nfs/dbraw/zinc/46/71/53/728467153.db2.gz AGLZDEXNOBZPOL-ZDUSSCGKSA-N -1 0 345.399 2.720 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000171329270 728530013 /nfs/dbraw/zinc/53/00/13/728530013.db2.gz PPNWVCZKISGWCG-SECBINFHSA-N -1 0 347.346 2.689 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 ZINC000172209229 728574253 /nfs/dbraw/zinc/57/42/53/728574253.db2.gz FZBZAGPVRNMYRY-LBPRGKRZSA-N -1 0 346.383 2.696 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 ZINC000172209234 728574297 /nfs/dbraw/zinc/57/42/97/728574297.db2.gz FZBZAGPVRNMYRY-GFCCVEGCSA-N -1 0 346.383 2.696 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000172883632 728609000 /nfs/dbraw/zinc/60/90/00/728609000.db2.gz QAUMTNXMNWEFRK-UHFFFAOYSA-N -1 0 341.367 2.794 20 30 EFEDRM CCOc1ccc(NC(=O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000063427725 728625799 /nfs/dbraw/zinc/62/57/99/728625799.db2.gz KEAZQRRFMRQRBT-VCHYOVAHSA-N -1 0 343.339 2.757 20 30 EFEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000173936379 728640918 /nfs/dbraw/zinc/64/09/18/728640918.db2.gz SCUNNMCAJSLGKO-GFCCVEGCSA-N -1 0 335.201 2.702 20 30 EFEDRM C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCCCCCC)cc1 ZINC000173942390 728643787 /nfs/dbraw/zinc/64/37/87/728643787.db2.gz IXUJOLHFPOQENY-KRWDZBQOSA-N -1 0 326.396 2.718 20 30 EFEDRM Cn1c(C([O-])=C(C#N)C(=O)NC2CC2)cc2cc(C(F)(F)F)ccc21 ZINC000173975759 728643943 /nfs/dbraw/zinc/64/39/43/728643943.db2.gz LITBZKXTKOJPIE-LBPRGKRZSA-N -1 0 349.312 2.798 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1NC(=O)CC(C)C ZINC000173984027 728644548 /nfs/dbraw/zinc/64/45/48/728644548.db2.gz KPNWTUPKXJJJTM-HNNXBMFYSA-N -1 0 343.427 2.827 20 30 EFEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NC(C)C)c2)cs1 ZINC000173983651 728644660 /nfs/dbraw/zinc/64/46/60/728644660.db2.gz UPVDDAZPGYVSBX-CQSZACIVSA-N -1 0 327.409 2.966 20 30 EFEDRM CC(C)Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cs1 ZINC000064099776 728670571 /nfs/dbraw/zinc/67/05/71/728670571.db2.gz CLIAJNFSXYCKGG-UHFFFAOYSA-N -1 0 349.437 2.907 20 30 EFEDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571583 729003773 /nfs/dbraw/zinc/00/37/73/729003773.db2.gz XJGOSHRJCVYNJN-UHFFFAOYSA-N -1 0 337.319 2.777 20 30 EFEDRM C[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000919351422 729013860 /nfs/dbraw/zinc/01/38/60/729013860.db2.gz JCRHCSYQDJMIQK-JTQLQIEISA-N -1 0 336.394 2.618 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)s2)cc1 ZINC000154962113 729016917 /nfs/dbraw/zinc/01/69/17/729016917.db2.gz QCMBOCAYEARLPH-HNNXBMFYSA-N -1 0 342.420 2.747 20 30 EFEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000069604381 729047271 /nfs/dbraw/zinc/04/72/71/729047271.db2.gz YXLVFNPLDVSNFB-KGLIPLIRSA-N -1 0 325.430 2.990 20 30 EFEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000069614490 729058617 /nfs/dbraw/zinc/05/86/17/729058617.db2.gz PWQASRTYKBKIDK-UHFFFAOYSA-N -1 0 344.392 2.845 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(C)c2)cc1 ZINC000155039569 729063263 /nfs/dbraw/zinc/06/32/63/729063263.db2.gz WTTOTJNSVZRTTP-GOSISDBHSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(C)c2)cc1 ZINC000155039674 729063495 /nfs/dbraw/zinc/06/34/95/729063495.db2.gz WTTOTJNSVZRTTP-SFHVURJKSA-N -1 0 336.391 2.951 20 30 EFEDRM CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622506 729075398 /nfs/dbraw/zinc/07/53/98/729075398.db2.gz VTAIFZZXGIWEFD-MNOVXSKESA-N -1 0 337.319 2.776 20 30 EFEDRM C#CCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000920361181 729175979 /nfs/dbraw/zinc/17/59/79/729175979.db2.gz JINXOLVJMUOHBN-UHFFFAOYSA-N -1 0 340.330 2.870 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])[C@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC000069831973 729253549 /nfs/dbraw/zinc/25/35/49/729253549.db2.gz SYFBJBZNVMTPSW-DYVFJYSZSA-N -1 0 326.377 2.800 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)nn1 ZINC000901529381 729274548 /nfs/dbraw/zinc/27/45/48/729274548.db2.gz KYXICFWDGOOWAX-LZGFCCKTSA-N -1 0 329.356 2.607 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccsc2)n1 ZINC000921253604 729278959 /nfs/dbraw/zinc/27/89/59/729278959.db2.gz QAZLNJLMBDBTRQ-DLGQBQFBSA-N -1 0 332.406 2.946 20 30 EFEDRM COc1c(Cl)cc(Cl)cc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000921254914 729279368 /nfs/dbraw/zinc/27/93/68/729279368.db2.gz GNEFTWJHNBWRPM-UHFFFAOYSA-N -1 0 328.159 2.647 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1 ZINC000179564409 729593784 /nfs/dbraw/zinc/59/37/84/729593784.db2.gz DBCLHGWECRCNNL-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000179976584 729661305 /nfs/dbraw/zinc/66/13/05/729661305.db2.gz HJODHUWZWHCHPO-INIZCTEOSA-N -1 0 331.416 2.888 20 30 EFEDRM C#CCOc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000237918173 729662321 /nfs/dbraw/zinc/66/23/21/729662321.db2.gz DUQKSQSPFYEZJZ-UHFFFAOYSA-N -1 0 349.386 2.897 20 30 EFEDRM C=CCN(Cc1ccc(C)cc1)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001465118060 804178999 /nfs/dbraw/zinc/17/89/99/804178999.db2.gz VNKXPCWWMQIFTF-HOTGVXAUSA-N -1 0 337.441 2.566 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000780569169 939133075 /nfs/dbraw/zinc/13/30/75/939133075.db2.gz SBANFBIQHOHSNX-MRXNPFEDSA-N -1 0 330.384 2.854 20 30 EFEDRM C=C(Br)CNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000797715521 939176182 /nfs/dbraw/zinc/17/61/82/939176182.db2.gz PBHOZHZDZHAWOH-LBPRGKRZSA-N -1 0 341.205 2.637 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000849212709 939235829 /nfs/dbraw/zinc/23/58/29/939235829.db2.gz KSUDPMOOPAHKPK-KTXOBNNYSA-N -1 0 330.384 2.854 20 30 EFEDRM C#CCN(CC1CC1)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000321791508 970808333 /nfs/dbraw/zinc/80/83/33/970808333.db2.gz VEGMOWDQQLRXNC-UHFFFAOYSA-N -1 0 349.433 2.633 20 30 EFEDRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)c1 ZINC001611146391 970911381 /nfs/dbraw/zinc/91/13/81/970911381.db2.gz LELRVWKFWILJAC-IAGOWNOFSA-N -1 0 336.338 2.536 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Nc3cc(C(=O)[O-])ccn3)CCC2)cc1 ZINC001601098325 970932373 /nfs/dbraw/zinc/93/23/73/970932373.db2.gz XMCRQMXXFRUXRI-UHFFFAOYSA-N -1 0 336.351 2.852 20 30 EFEDRM N#Cc1cn(CCOc2ccccc2C(=O)[O-])c2ccccc2c1=O ZINC001601128982 970938517 /nfs/dbraw/zinc/93/85/17/970938517.db2.gz GLYIZXPNOARAAX-UHFFFAOYSA-N -1 0 334.331 2.650 20 30 EFEDRM N#Cc1cc(F)c(C(=O)OCCOc2ccccc2C(=O)[O-])c(F)c1 ZINC001611295615 970979021 /nfs/dbraw/zinc/97/90/21/970979021.db2.gz AVANZMAXDZTUQL-UHFFFAOYSA-N -1 0 347.273 2.770 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC001611295932 970981054 /nfs/dbraw/zinc/98/10/54/970981054.db2.gz YWNBCSZKOXBPDD-BBWFWOEESA-N -1 0 326.396 2.539 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001602683385 971272936 /nfs/dbraw/zinc/27/29/36/971272936.db2.gz COJHXGCMQBSLQY-ZFWWWQNUSA-N -1 0 334.803 2.706 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001602685630 971281796 /nfs/dbraw/zinc/28/17/96/971281796.db2.gz CASMCSQXJSVKLD-IRXDYDNUSA-N -1 0 328.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC001602686295 971287299 /nfs/dbraw/zinc/28/72/99/971287299.db2.gz ZYRXEFGZOGIKKN-UHFFFAOYSA-N -1 0 336.391 2.891 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)c(F)cc1C ZINC001602688280 971289914 /nfs/dbraw/zinc/28/99/14/971289914.db2.gz HUNNFGYPQJEGOY-UHFFFAOYSA-N -1 0 332.253 2.705 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001602688294 971290073 /nfs/dbraw/zinc/29/00/73/971290073.db2.gz IGJIKNFAZXSFDB-UHFFFAOYSA-N -1 0 347.371 2.585 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC001602688487 971291025 /nfs/dbraw/zinc/29/10/25/971291025.db2.gz NITOHQMVFLNVMW-UHFFFAOYSA-N -1 0 348.362 2.553 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(SC)c(Cl)cc1Cl ZINC001602691315 971294280 /nfs/dbraw/zinc/29/42/80/971294280.db2.gz GOUMGBIDHLUUGV-UHFFFAOYSA-N -1 0 332.208 2.875 20 30 EFEDRM C#CCOc1ccc(COC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001602704802 971337340 /nfs/dbraw/zinc/33/73/40/971337340.db2.gz ULYUPCFFPJJAOP-NTMALXAHSA-N -1 0 326.304 2.746 20 30 EFEDRM C#Cc1cncc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001602707424 971344697 /nfs/dbraw/zinc/34/46/97/971344697.db2.gz UYVWQYFJNOGHBJ-HNNXBMFYSA-N -1 0 334.375 2.747 20 30 EFEDRM C=C(C)Cn1c(C2CC2)nnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602710047 971348749 /nfs/dbraw/zinc/34/87/49/971348749.db2.gz OTLLPQGFXPSFMZ-MRXNPFEDSA-N -1 0 338.411 2.920 20 30 EFEDRM C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602709920 971348764 /nfs/dbraw/zinc/34/87/64/971348764.db2.gz LMPBIAZUDYXPMY-SFHVURJKSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001602728966 971398524 /nfs/dbraw/zinc/39/85/24/971398524.db2.gz RVQMWIHSDCNKSZ-KRWDZBQOSA-N -1 0 335.425 2.528 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCc2c(OC(F)F)cccc21 ZINC001602778349 971511605 /nfs/dbraw/zinc/51/16/05/971511605.db2.gz GEQNBWVXNYGOAC-MRXNPFEDSA-N -1 0 338.310 2.572 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCSc1ccc(F)cc1F ZINC001602781750 971525350 /nfs/dbraw/zinc/52/53/50/971525350.db2.gz GXJZBFCUAWQLHP-AWEZNQCLSA-N -1 0 329.324 2.605 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)c(F)cc1F ZINC001602781603 971525374 /nfs/dbraw/zinc/52/53/74/971525374.db2.gz DNZDBLMBQZDBNQ-LBPRGKRZSA-N -1 0 347.115 2.670 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC001589585032 949037435 /nfs/dbraw/zinc/03/74/35/949037435.db2.gz YRNRFXRQDGGYTC-APWZRJJASA-N -1 0 328.412 2.862 20 30 EFEDRM C[C@H](C#N)Oc1ccc(CNc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001602786397 971534224 /nfs/dbraw/zinc/53/42/24/971534224.db2.gz ORXRXNFYNNSKIH-GFCCVEGCSA-N -1 0 328.372 2.606 20 30 EFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC001589596312 949148624 /nfs/dbraw/zinc/14/86/24/949148624.db2.gz KMLCOSBIVFNZJH-QFBILLFUSA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@@H](C(=O)[O-])C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC001602797679 971569231 /nfs/dbraw/zinc/56/92/31/971569231.db2.gz URKFOGIJJDBDCY-VHSXEESVSA-N -1 0 328.290 2.667 20 30 EFEDRM C[C@H](C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001602800064 971572068 /nfs/dbraw/zinc/57/20/68/971572068.db2.gz CJNCUORPJZHXTO-SUMWQHHRSA-N -1 0 338.363 2.667 20 30 EFEDRM C#CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000229852807 949662644 /nfs/dbraw/zinc/66/26/44/949662644.db2.gz UAPBLGCJJCPOEJ-UHFFFAOYSA-N -1 0 325.162 2.682 20 30 EFEDRM CCCCCCCC[C@H](C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589645376 949724611 /nfs/dbraw/zinc/72/46/11/949724611.db2.gz YTWGGTSAGMTSNW-MPGHIAIKSA-N -1 0 325.449 2.933 20 30 EFEDRM CCCN(CC(=O)[O-])C(=O)c1occc1COc1cccc(C#N)c1 ZINC001589667778 949911760 /nfs/dbraw/zinc/91/17/60/949911760.db2.gz RYHNBPJOVHKHEH-UHFFFAOYSA-N -1 0 342.351 2.667 20 30 EFEDRM CCCc1c(NC(=O)C(C)(C)C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001589688751 950092321 /nfs/dbraw/zinc/09/23/21/950092321.db2.gz RQEXWXZENPWVPI-UHFFFAOYSA-N -1 0 340.383 2.746 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000318340032 950924613 /nfs/dbraw/zinc/92/46/13/950924613.db2.gz UNFXEGPSGWHKLF-UHFFFAOYSA-N -1 0 334.681 2.911 20 30 EFEDRM O=C([O-])C[C@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001594987937 951030806 /nfs/dbraw/zinc/03/08/06/951030806.db2.gz OWZDXMIJEDQNCU-CYBMUJFWSA-N -1 0 339.313 2.770 20 30 EFEDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)N(O)Cc2cccc3ccccc32)CO1 ZINC001594999818 951107030 /nfs/dbraw/zinc/10/70/30/951107030.db2.gz BEVWHZWCFJTTHX-JKSUJKDBSA-N -1 0 343.379 2.828 20 30 EFEDRM O=C([O-])[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001595186217 952267505 /nfs/dbraw/zinc/26/75/05/952267505.db2.gz HRMKOFPBCTZEDD-RBUKOAKNSA-N -1 0 348.402 2.548 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602930370 971898258 /nfs/dbraw/zinc/89/82/58/971898258.db2.gz RPYONFNKAYXLNU-UHFFFAOYSA-N -1 0 330.363 2.571 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001593635222 953605792 /nfs/dbraw/zinc/60/57/92/953605792.db2.gz IATSRLBOURSBBU-BBWFWOEESA-N -1 0 344.411 2.542 20 30 EFEDRM CCc1ccc([C@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001593637225 953615037 /nfs/dbraw/zinc/61/50/37/953615037.db2.gz ONOCXLVCJUEZOR-LPHOPBHVSA-N -1 0 328.412 2.960 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589298521 953669521 /nfs/dbraw/zinc/66/95/21/953669521.db2.gz ATGMYMWZSRMNAL-AAEUAGOBSA-N -1 0 339.313 2.769 20 30 EFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001602969999 971964817 /nfs/dbraw/zinc/96/48/17/971964817.db2.gz HIMAMNJXTDCSEA-LLVKDONJSA-N -1 0 325.162 2.616 20 30 EFEDRM C[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1C(=O)[O-] ZINC001589325925 953910014 /nfs/dbraw/zinc/91/00/14/953910014.db2.gz VYDXGTIFVLBBQN-ZBEGNZNMSA-N -1 0 339.351 2.539 20 30 EFEDRM C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1C(=O)[O-] ZINC001589325922 953910057 /nfs/dbraw/zinc/91/00/57/953910057.db2.gz VYDXGTIFVLBBQN-BDJLRTHQSA-N -1 0 339.351 2.539 20 30 EFEDRM CN(CCOc1ccccc1C(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593754527 954439013 /nfs/dbraw/zinc/43/90/13/954439013.db2.gz KUUMLXNBZSNKIS-LJQANCHMSA-N -1 0 346.427 2.826 20 30 EFEDRM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC001593766590 954523059 /nfs/dbraw/zinc/52/30/59/954523059.db2.gz TUCZQGXPMICGIE-SFHVURJKSA-N -1 0 349.390 2.607 20 30 EFEDRM CC(C)C[C@H](C)Oc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1 ZINC001603002411 972045401 /nfs/dbraw/zinc/04/54/01/972045401.db2.gz PASPSQYKWLEZEN-UGSOOPFHSA-N -1 0 347.415 2.516 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001589477421 954961402 /nfs/dbraw/zinc/96/14/02/954961402.db2.gz GJNAQBBPULLJIQ-UHFFFAOYSA-N -1 0 339.735 2.949 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1OC ZINC000750083114 955262969 /nfs/dbraw/zinc/26/29/69/955262969.db2.gz MOVDLJHHKSULOG-DKMNPUHCSA-N -1 0 347.411 2.889 20 30 EFEDRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001589001751 955331932 /nfs/dbraw/zinc/33/19/32/955331932.db2.gz FIUBGEANHRRWNV-CYBMUJFWSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001594506305 955361121 /nfs/dbraw/zinc/36/11/21/955361121.db2.gz JZNQGYSYUKMBBR-CQSZACIVSA-N -1 0 326.352 2.666 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000817859994 955370102 /nfs/dbraw/zinc/37/01/02/955370102.db2.gz XQZKUIJIUSROCU-UPJWGTAASA-N -1 0 331.372 2.552 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000819856764 955459229 /nfs/dbraw/zinc/45/92/29/955459229.db2.gz MUCRAVQSBFIEQU-QGZVFWFLSA-N -1 0 343.314 2.956 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)cc1F ZINC000819873977 955461075 /nfs/dbraw/zinc/46/10/75/955461075.db2.gz FUGKSTNMXBNKSF-CYBMUJFWSA-N -1 0 344.136 2.636 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(C)C ZINC000840990740 955573225 /nfs/dbraw/zinc/57/32/25/955573225.db2.gz WBNNHFYEPNTJID-QGZVFWFLSA-N -1 0 328.412 2.932 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000848450352 955736901 /nfs/dbraw/zinc/73/69/01/955736901.db2.gz ASCFUXUOFZDOAC-SOIVGHGOSA-N -1 0 347.411 2.746 20 30 EFEDRM N#C[C@H](C(=O)[C@@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600725 956124346 /nfs/dbraw/zinc/12/43/46/956124346.db2.gz DQOQOGSJQAVHER-SKDRFNHKSA-N -1 0 333.294 2.718 20 30 EFEDRM N#C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594601650 956138049 /nfs/dbraw/zinc/13/80/49/956138049.db2.gz OHAOKCFJTZNRKS-GFCCVEGCSA-N -1 0 344.289 2.911 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001594601738 956139092 /nfs/dbraw/zinc/13/90/92/956139092.db2.gz QESLZSIDRDRJRK-DMDPSCGWSA-N -1 0 340.301 2.887 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001594602739 956150929 /nfs/dbraw/zinc/15/09/29/956150929.db2.gz YWEDWTKBLDSZNG-KRWDZBQOSA-N -1 0 328.412 2.862 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874413435 956193830 /nfs/dbraw/zinc/19/38/30/956193830.db2.gz ZWOHAZJILZMAJH-AOOOYVTPSA-N -1 0 328.821 2.962 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001594611189 956210686 /nfs/dbraw/zinc/21/06/86/956210686.db2.gz NWFWTAXZXRXOMD-AWEZNQCLSA-N -1 0 326.377 2.638 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001593934381 956212664 /nfs/dbraw/zinc/21/26/64/956212664.db2.gz VOCUZPPMULVQAQ-GOSISDBHSA-N -1 0 341.319 2.746 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C2 ZINC001594611587 956217367 /nfs/dbraw/zinc/21/73/67/956217367.db2.gz ZOKNAZIWTXZUCE-ALCCZGGFSA-N -1 0 336.347 2.642 20 30 EFEDRM N#Cc1c(-c2ccccc2)nnn1CCOc1ccccc1C(=O)[O-] ZINC001594612056 956224140 /nfs/dbraw/zinc/22/41/40/956224140.db2.gz VTQSSRPTLYMNKC-UHFFFAOYSA-N -1 0 334.335 2.594 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)ccc12 ZINC001594613844 956226885 /nfs/dbraw/zinc/22/68/85/956226885.db2.gz DCYDQDBHXUAYDN-INIZCTEOSA-N -1 0 337.310 2.734 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1F ZINC001594613928 956228638 /nfs/dbraw/zinc/22/86/38/956228638.db2.gz HLKUKNLBXSZGTE-JKSUJKDBSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1cc(NC(=O)NCc2ccccc2C(=O)[O-])c(F)cc1F ZINC001594616652 956243078 /nfs/dbraw/zinc/24/30/78/956243078.db2.gz VXRKGVKAYQWQIO-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(N3CCC[C@@H](CC(=O)[O-])C3)n2)c1 ZINC000886907886 956246726 /nfs/dbraw/zinc/24/67/26/956246726.db2.gz KYMHSFSFYSNBEK-AWEZNQCLSA-N -1 0 338.367 2.832 20 30 EFEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001594618146 956260471 /nfs/dbraw/zinc/26/04/71/956260471.db2.gz FRCZASQYNPZIQR-CHWSQXEVSA-N -1 0 340.301 2.560 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001594618195 956261450 /nfs/dbraw/zinc/26/14/50/956261450.db2.gz IGTUPRVRSHJTQH-SFHVURJKSA-N -1 0 334.375 2.701 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])cc1Cl ZINC001594620174 956274602 /nfs/dbraw/zinc/27/46/02/956274602.db2.gz AGNHAPRQWFREIY-UHFFFAOYSA-N -1 0 330.731 2.627 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NCCCCCC(=O)[O-])cc2n1 ZINC000899317460 956287371 /nfs/dbraw/zinc/28/73/71/956287371.db2.gz MANMCWJGPQAKDR-UHFFFAOYSA-N -1 0 330.388 2.989 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2n1 ZINC000899317785 956288012 /nfs/dbraw/zinc/28/80/12/956288012.db2.gz QSPSJPLZJLEXLL-ZDUSSCGKSA-N -1 0 328.372 2.551 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc2n1 ZINC000899317771 956288317 /nfs/dbraw/zinc/28/83/17/956288317.db2.gz QAKFDLGLRZPXBJ-UHFFFAOYSA-N -1 0 330.388 2.845 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)cc1F ZINC001594627069 956320586 /nfs/dbraw/zinc/32/05/86/956320586.db2.gz LDIHNFPAHAJBQT-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ncccc3C(=O)[O-])on2)c1 ZINC001594627494 956323386 /nfs/dbraw/zinc/32/33/86/956323386.db2.gz QXSZJMLTEPUGQZ-UHFFFAOYSA-N -1 0 334.291 2.559 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000901499723 956330070 /nfs/dbraw/zinc/33/00/70/956330070.db2.gz KUDJQLYECMWHKP-OAHLLOKOSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cn2)c1 ZINC001594628755 956335688 /nfs/dbraw/zinc/33/56/88/956335688.db2.gz ODVYOJSIDBTVSX-MRXNPFEDSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccnc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001594631396 956341551 /nfs/dbraw/zinc/34/15/51/956341551.db2.gz FDMCAXGRQAUUNQ-CQSZACIVSA-N -1 0 335.363 2.637 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901574543 956347025 /nfs/dbraw/zinc/34/70/25/956347025.db2.gz YKDKBMZSHFTKHP-HNNXBMFYSA-N -1 0 328.412 2.821 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000901734836 956446037 /nfs/dbraw/zinc/44/60/37/956446037.db2.gz YKUJIAJYLLLZNI-IAGOWNOFSA-N -1 0 331.412 2.514 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)Cc1ccccc1C(=O)[O-])C2 ZINC000902246324 956687075 /nfs/dbraw/zinc/68/70/75/956687075.db2.gz NARRDMZSGLXHKO-UHFFFAOYSA-N -1 0 334.375 2.578 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)[C@H](C#N)c1nccn1Cc1ccccc1 ZINC001589212356 956701769 /nfs/dbraw/zinc/70/17/69/956701769.db2.gz OTUKUINDNGTHCO-LIRRHRJNSA-N -1 0 337.379 2.609 20 30 EFEDRM COCC[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001593990898 956843758 /nfs/dbraw/zinc/84/37/58/956843758.db2.gz JTCBGMOLLDPNTH-ACJLOTCBSA-N -1 0 330.384 2.548 20 30 EFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001594012542 957009865 /nfs/dbraw/zinc/00/98/65/957009865.db2.gz PSGPWJGKLMOPHW-UHFFFAOYSA-N -1 0 344.411 2.568 20 30 EFEDRM C[C@@H]1/C(=C\c2ccc(N3CCC(C(=O)[O-])CC3)o2)C(=O)c2nccn21 ZINC001589257702 957013807 /nfs/dbraw/zinc/01/38/07/957013807.db2.gz BYJNJPHEIXDVLW-ZTMOJVSCSA-N -1 0 341.367 2.618 20 30 EFEDRM N#Cc1cc(COc2ccc(C(=O)[O-])cc2Br)ccn1 ZINC000068755745 957648392 /nfs/dbraw/zinc/64/83/92/957648392.db2.gz KPLUHRFGYNJRAK-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)c1 ZINC001594281378 957748000 /nfs/dbraw/zinc/74/80/00/957748000.db2.gz KUKDZWIPIZJPGJ-ZDUSSCGKSA-N -1 0 334.335 2.763 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccncc1 ZINC001335501102 957816804 /nfs/dbraw/zinc/81/68/04/957816804.db2.gz RJKMRHYPHXBJMG-QAPCUYQASA-N -1 0 331.416 2.985 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001339821441 957886697 /nfs/dbraw/zinc/88/66/97/957886697.db2.gz ISGGOMQXLUFLLD-UAGQMJEPSA-N -1 0 330.428 2.926 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603199637 972303740 /nfs/dbraw/zinc/30/37/40/972303740.db2.gz IMZMVIUATQMYHE-PXAZEXFGSA-N -1 0 340.354 2.818 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588374174 957966242 /nfs/dbraw/zinc/96/62/42/957966242.db2.gz PYEORCDISJPTHV-AWEZNQCLSA-N -1 0 329.743 2.929 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603200205 972308291 /nfs/dbraw/zinc/30/82/91/972308291.db2.gz XRPLJMWMBZAKGX-VLIAUNLRSA-N -1 0 336.391 2.853 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341432184 957992974 /nfs/dbraw/zinc/99/29/74/957992974.db2.gz JZISTWRUEKBMOA-ZCPGHIKRSA-N -1 0 344.411 2.580 20 30 EFEDRM C#CCCN(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588390984 958019131 /nfs/dbraw/zinc/01/91/31/958019131.db2.gz YALJTQVIZJLIAQ-UHFFFAOYSA-N -1 0 342.754 2.681 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCc2ccccc21 ZINC001588396667 958051195 /nfs/dbraw/zinc/05/11/95/958051195.db2.gz XWDSHPXUWMEMFD-GOSISDBHSA-N -1 0 334.375 2.933 20 30 EFEDRM COc1cc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1C#N ZINC001594057714 958053169 /nfs/dbraw/zinc/05/31/69/958053169.db2.gz YMVIEAXYARKAER-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001588397898 958064853 /nfs/dbraw/zinc/06/48/53/958064853.db2.gz YAMVFTLXVJYQQD-UHFFFAOYSA-N -1 0 331.387 2.865 20 30 EFEDRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C#N)cc1N(C)C ZINC001594317140 958078728 /nfs/dbraw/zinc/07/87/28/958078728.db2.gz PCSPPZKEYYDVBP-FNORWQNLSA-N -1 0 339.351 2.876 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001588400417 958083295 /nfs/dbraw/zinc/08/32/95/958083295.db2.gz XDCJOWXTXPSBGB-LLVKDONJSA-N -1 0 327.302 2.745 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC001588408509 958111578 /nfs/dbraw/zinc/11/15/78/958111578.db2.gz QAUYPVFICURGJV-UHFFFAOYSA-N -1 0 346.402 2.757 20 30 EFEDRM COc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(F)cc1C#N ZINC001594063542 958118653 /nfs/dbraw/zinc/11/86/53/958118653.db2.gz JLJRXPLCHQDNIJ-GFCCVEGCSA-N -1 0 349.362 2.957 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001588409239 958124727 /nfs/dbraw/zinc/12/47/27/958124727.db2.gz CRGCMGYRVRXCPX-QGZVFWFLSA-N -1 0 332.375 2.786 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(N[C@H]3CCC[C@H]3C(=O)[O-])c2c1 ZINC001594067374 958146959 /nfs/dbraw/zinc/14/69/59/958146959.db2.gz UYWPVNKBSAAVCN-OCCSQVGLSA-N -1 0 341.367 2.789 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1SC(F)(F)F ZINC001588412912 958154491 /nfs/dbraw/zinc/15/44/91/958154491.db2.gz MTZWRFOQCNLPNF-UHFFFAOYSA-N -1 0 332.303 2.850 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC001588413315 958158374 /nfs/dbraw/zinc/15/83/74/958158374.db2.gz YOQXSKSYRWECGN-UHFFFAOYSA-N -1 0 339.323 2.786 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC001588416948 958167239 /nfs/dbraw/zinc/16/72/39/958167239.db2.gz XVXXBISECYDLNB-UHFFFAOYSA-N -1 0 340.360 2.716 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC001588417335 958170688 /nfs/dbraw/zinc/17/06/88/958170688.db2.gz IYZULIYMLJPQEV-HNNXBMFYSA-N -1 0 338.407 2.874 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001588419191 958192938 /nfs/dbraw/zinc/19/29/38/958192938.db2.gz XBNFJDLDBQCWES-UHFFFAOYSA-N -1 0 327.311 2.778 20 30 EFEDRM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603216035 972329790 /nfs/dbraw/zinc/32/97/90/972329790.db2.gz MXAYVEVNORHBIX-DRPJVOAASA-N -1 0 328.412 2.935 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588432287 958276642 /nfs/dbraw/zinc/27/66/42/958276642.db2.gz JCKHLPNFRBCEIG-CSKARUKUSA-N -1 0 327.311 2.792 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001588433314 958294003 /nfs/dbraw/zinc/29/40/03/958294003.db2.gz JPJWTRRPBWQQSW-KRWDZBQOSA-N -1 0 338.363 2.954 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001588433548 958298901 /nfs/dbraw/zinc/29/89/01/958298901.db2.gz OXWPCUIWUMZMIW-GOSISDBHSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588433893 958301431 /nfs/dbraw/zinc/30/14/31/958301431.db2.gz WLFTVLXRQMINLG-CQSZACIVSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001588434139 958302932 /nfs/dbraw/zinc/30/29/32/958302932.db2.gz ZPUQTCMHZGRYPM-SFHVURJKSA-N -1 0 348.374 2.946 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001594343047 958312627 /nfs/dbraw/zinc/31/26/27/958312627.db2.gz PYVDBGZKRCYBSJ-OFAQMXQXSA-N -1 0 329.396 2.980 20 30 EFEDRM C=C(C)C(C)(C)c1nc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)no1 ZINC001588439230 958314990 /nfs/dbraw/zinc/31/49/90/958314990.db2.gz KZHOWTNFTDLCGB-JTQLQIEISA-N -1 0 339.392 2.964 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588443640 958355095 /nfs/dbraw/zinc/35/50/95/958355095.db2.gz VKAUGMOZIRSOCA-AWEZNQCLSA-N -1 0 326.400 2.741 20 30 EFEDRM C=CCC[C@@H](C(=O)N1CC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC001588457188 958446285 /nfs/dbraw/zinc/44/62/85/958446285.db2.gz OVHRBUDRSYRORO-APWZRJJASA-N -1 0 331.412 2.686 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC001573317911 958457625 /nfs/dbraw/zinc/45/76/25/958457625.db2.gz INCKTPBQXGYHRY-UHFFFAOYSA-N -1 0 334.224 2.924 20 30 EFEDRM C=CCCCCCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588458518 958464298 /nfs/dbraw/zinc/46/42/98/958464298.db2.gz RBOCZJGIGKJTCI-CSLYMUCUSA-N -1 0 338.448 2.835 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC001573318523 958465167 /nfs/dbraw/zinc/46/51/67/958465167.db2.gz PQQPJNXCTGISKV-CSKARUKUSA-N -1 0 326.179 2.943 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588460541 958477497 /nfs/dbraw/zinc/47/74/97/958477497.db2.gz ORFBIVVYDDVTBO-UHFFFAOYSA-N -1 0 328.162 2.679 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001573321111 958479978 /nfs/dbraw/zinc/47/99/78/958479978.db2.gz SOQVMHUPQOMNFJ-UHFFFAOYSA-N -1 0 340.166 2.563 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001573321484 958482350 /nfs/dbraw/zinc/48/23/50/958482350.db2.gz YCAOAIMSSGGUTG-UHFFFAOYSA-N -1 0 345.301 2.917 20 30 EFEDRM C=CCCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001573328986 958504448 /nfs/dbraw/zinc/50/44/48/958504448.db2.gz UDGVSBIABFWXHB-VHSXEESVSA-N -1 0 339.413 3.000 20 30 EFEDRM C=CCOc1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001588466504 958513682 /nfs/dbraw/zinc/51/36/82/958513682.db2.gz VYAJVMRGVZGENE-NTMALXAHSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCc1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc(OC)c1OC ZINC001588469426 958517057 /nfs/dbraw/zinc/51/70/57/958517057.db2.gz GPZOJBUFBGULIG-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM C=CCc1ccc(OC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(OC)c1 ZINC001588470095 958522280 /nfs/dbraw/zinc/52/22/80/958522280.db2.gz CEYBYLJDGLEABI-UONOGXRCSA-N -1 0 334.368 2.599 20 30 EFEDRM C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588470130 958523592 /nfs/dbraw/zinc/52/35/92/958523592.db2.gz FJAKXKIXKXCHRD-HIFRSBDPSA-N -1 0 326.400 2.678 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588473033 958549582 /nfs/dbraw/zinc/54/95/82/958549582.db2.gz WHRJBVWYJOMLBW-XQQFMLRXSA-N -1 0 336.461 2.579 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCOc1ccc(Cl)cc1 ZINC001573364851 958617601 /nfs/dbraw/zinc/61/76/01/958617601.db2.gz RDLZQWWQAMYHHU-INIZCTEOSA-N -1 0 338.791 2.620 20 30 EFEDRM C[C@@](NC(=O)c1[nH]c2ccccc2c1C#N)(C(=O)[O-])c1ccccc1 ZINC001603234686 972365715 /nfs/dbraw/zinc/36/57/15/972365715.db2.gz UBYDSFZWLPOOHM-IBGZPJMESA-N -1 0 333.347 2.769 20 30 EFEDRM COc1ccccc1[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC001594144633 958752060 /nfs/dbraw/zinc/75/20/60/958752060.db2.gz XRDXULNDKDNOKW-LIRRHRJNSA-N -1 0 344.411 2.796 20 30 EFEDRM Cc1cccc([C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C(=O)[O-])c1 ZINC001594395488 958766379 /nfs/dbraw/zinc/76/63/79/958766379.db2.gz AYFFAZYWJYJLDP-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)nc1 ZINC000132352150 958783266 /nfs/dbraw/zinc/78/32/66/958783266.db2.gz XDLGGUKUJQCPMG-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132530473 958786477 /nfs/dbraw/zinc/78/64/77/958786477.db2.gz MGZRWDZNRDLDCC-QMMMGPOBSA-N -1 0 340.177 2.771 20 30 EFEDRM C[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239366 972378439 /nfs/dbraw/zinc/37/84/39/972378439.db2.gz HMJAHSDDEXFJGG-WKPIXPDZSA-N -1 0 339.395 2.905 20 30 EFEDRM COc1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C#N ZINC001594160433 958878555 /nfs/dbraw/zinc/87/85/55/958878555.db2.gz IMLZOOYABWHGKM-UHFFFAOYSA-N -1 0 340.339 2.623 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCOCC2)cc1C#N ZINC001573457760 958908696 /nfs/dbraw/zinc/90/86/96/958908696.db2.gz JGGPVQHIILLKFM-UHFFFAOYSA-N -1 0 346.383 2.555 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC001588533944 958914900 /nfs/dbraw/zinc/91/49/00/958914900.db2.gz BRMKDSLGEJOVGI-CRAIPNDOSA-N -1 0 326.396 2.787 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001588538140 958939498 /nfs/dbraw/zinc/93/94/98/958939498.db2.gz CWOSFEOQBDEPNA-KBXCAEBGSA-N -1 0 340.383 2.621 20 30 EFEDRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2 ZINC001588538522 958942166 /nfs/dbraw/zinc/94/21/66/958942166.db2.gz JSQVAJAWRJNQEM-IBGZPJMESA-N -1 0 328.412 2.873 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001588538723 958944485 /nfs/dbraw/zinc/94/44/85/958944485.db2.gz MWFYPFNCLLBRPU-OAHLLOKOSA-N -1 0 340.301 2.595 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC001588538893 958946708 /nfs/dbraw/zinc/94/67/08/958946708.db2.gz QACXVYIVPBQYJC-LKFCYVNXSA-N -1 0 326.805 2.900 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Br)c1F ZINC001588539978 958957065 /nfs/dbraw/zinc/95/70/65/958957065.db2.gz JHADAXDCDWGOJD-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001588540271 958960167 /nfs/dbraw/zinc/96/01/67/958960167.db2.gz WHQBSKCUPZJSHR-OAHLLOKOSA-N -1 0 333.344 2.892 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588542203 958968881 /nfs/dbraw/zinc/96/88/81/958968881.db2.gz UFZSZNUQXSCALY-NVBFEUDRSA-N -1 0 341.194 2.970 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588542893 958974500 /nfs/dbraw/zinc/97/45/00/958974500.db2.gz FLIOFCUEKKFIRH-UTUOFQBUSA-N -1 0 333.413 2.923 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588543099 958975812 /nfs/dbraw/zinc/97/58/12/958975812.db2.gz HNKAIDOMOQEGDD-SNVBAGLBSA-N -1 0 344.396 2.622 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588545410 958996369 /nfs/dbraw/zinc/99/63/69/958996369.db2.gz SROUOBRZNSTIAX-ZADCQDASSA-N -1 0 326.308 2.921 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000149872135 959029179 /nfs/dbraw/zinc/02/91/79/959029179.db2.gz LVXXMXONQHABOQ-CQSZACIVSA-N -1 0 346.180 2.809 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001588558501 959088249 /nfs/dbraw/zinc/08/82/49/959088249.db2.gz XEUQSKHNERSDGI-QGZVFWFLSA-N -1 0 330.315 2.706 20 30 EFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cccc(C(=O)[O-])c1 ZINC001594425567 959118600 /nfs/dbraw/zinc/11/86/00/959118600.db2.gz QXJOXIGHHFVOMY-UHFFFAOYSA-N -1 0 333.351 2.758 20 30 EFEDRM CC(C)OCCOCc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001573549426 959226416 /nfs/dbraw/zinc/22/64/16/959226416.db2.gz IDRUWXNLRJZBHB-GOSISDBHSA-N -1 0 348.399 2.571 20 30 EFEDRM C[C@](CNC(=O)/C=C\c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573591888 959402299 /nfs/dbraw/zinc/40/22/99/959402299.db2.gz NXTWMXMSXRVFEP-ZCPJJFRWSA-N -1 0 334.375 2.730 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001573608117 959461740 /nfs/dbraw/zinc/46/17/40/959461740.db2.gz MTGMZIIQFKPBII-AUUYWEPGSA-N -1 0 348.402 2.947 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588607544 959489503 /nfs/dbraw/zinc/48/95/03/959489503.db2.gz JXKNXUYYAVKIHZ-UHFFFAOYSA-N -1 0 340.177 2.819 20 30 EFEDRM C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573616531 959496209 /nfs/dbraw/zinc/49/62/09/959496209.db2.gz NPCGDXXRAUMKOK-TUKIKUTGSA-N -1 0 346.452 2.902 20 30 EFEDRM CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cccc(C(=O)[O-])c1 ZINC001588628915 959603956 /nfs/dbraw/zinc/60/39/56/959603956.db2.gz YRRBLZMPFIDPOT-NVNXTCNLSA-N -1 0 333.409 2.917 20 30 EFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCSCc1ccccc1C#N ZINC001588635230 959652462 /nfs/dbraw/zinc/65/24/62/959652462.db2.gz XOHNGSKKVUJIDF-AWEZNQCLSA-N -1 0 334.441 2.655 20 30 EFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC001573655231 959666704 /nfs/dbraw/zinc/66/67/04/959666704.db2.gz BZVXPXVSHKGNIR-UHFFFAOYSA-N -1 0 336.338 2.590 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001573666896 959693929 /nfs/dbraw/zinc/69/39/29/959693929.db2.gz AIEVWPGZSGGMJD-AWEZNQCLSA-N -1 0 342.273 2.896 20 30 EFEDRM COc1ccccc1N=C1SCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574239332 960458143 /nfs/dbraw/zinc/45/81/43/960458143.db2.gz NNSJDJNFNSOAKZ-NWDGAFQWSA-N -1 0 348.424 2.759 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001603286770 972526038 /nfs/dbraw/zinc/52/60/38/972526038.db2.gz KXUSJWALLBKGQZ-LBPRGKRZSA-N -1 0 332.425 2.676 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574307610 960749518 /nfs/dbraw/zinc/74/95/18/960749518.db2.gz DPGQEVDPKCPIQX-KRWDZBQOSA-N -1 0 334.375 2.999 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001574351355 960990658 /nfs/dbraw/zinc/99/06/58/960990658.db2.gz QBKZCLXHOODUHG-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM Cc1ccc(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C#N ZINC001574367185 961044983 /nfs/dbraw/zinc/04/49/83/961044983.db2.gz AIGSSUGLOADOTG-CQSZACIVSA-N -1 0 329.400 2.653 20 30 EFEDRM Cc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C#N ZINC001574367789 961050560 /nfs/dbraw/zinc/05/05/60/961050560.db2.gz MTNNWUNDDLEADL-HNNXBMFYSA-N -1 0 331.416 2.803 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588794764 961369636 /nfs/dbraw/zinc/36/96/36/961369636.db2.gz KZIVMGSGEHQMIC-OAHLLOKOSA-N -1 0 344.411 2.819 20 30 EFEDRM C=C(C)C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001331981400 961448742 /nfs/dbraw/zinc/44/87/42/961448742.db2.gz FUNIVTIYZXHWAS-LLVKDONJSA-N -1 0 332.169 2.803 20 30 EFEDRM N#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001574474544 961641585 /nfs/dbraw/zinc/64/15/85/961641585.db2.gz POQJWTAAVVKMDU-VAOFZXAKSA-N -1 0 327.167 2.785 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC001574479928 961654565 /nfs/dbraw/zinc/65/45/65/961654565.db2.gz QQRJQJSLDCSBTA-MLGOLLRUSA-N -1 0 342.301 2.879 20 30 EFEDRM N#CCC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001574480449 961664372 /nfs/dbraw/zinc/66/43/72/961664372.db2.gz JRLNSIKBXFXBMR-BBWFWOEESA-N -1 0 341.411 2.784 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])s2)cc1 ZINC001574488599 961697362 /nfs/dbraw/zinc/69/73/62/961697362.db2.gz TXRCUUJMRKBSNT-ZIAGYGMSSA-N -1 0 341.392 2.655 20 30 EFEDRM N#Cc1ccccc1N(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C1CCC1 ZINC001574490243 961713304 /nfs/dbraw/zinc/71/33/04/961713304.db2.gz YDTWERJYNPXKSI-HOCLYGCPSA-N -1 0 342.395 2.714 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588835465 961763612 /nfs/dbraw/zinc/76/36/12/961763612.db2.gz JPVJMMSZOXAMJD-KBXCAEBGSA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001588835491 961763691 /nfs/dbraw/zinc/76/36/91/961763691.db2.gz JZRXCRGAGVACKP-KMFMINBZSA-N -1 0 344.411 2.531 20 30 EFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)cc1F ZINC001571170631 962045143 /nfs/dbraw/zinc/04/51/43/962045143.db2.gz HRBSQFUUTSHHAA-GFCCVEGCSA-N -1 0 326.327 2.813 20 30 EFEDRM CC(C)CN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872641 962098070 /nfs/dbraw/zinc/09/80/70/962098070.db2.gz YXMOYMBEGGTJLO-DOTOQJQBSA-N -1 0 344.411 2.817 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C#N)cc1F ZINC001571179229 962134568 /nfs/dbraw/zinc/13/45/68/962134568.db2.gz JOQOMOFCCFKZIK-UHFFFAOYSA-N -1 0 328.299 2.681 20 30 EFEDRM N#Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cccc1OC(F)(F)F ZINC001571179501 962138326 /nfs/dbraw/zinc/13/83/26/962138326.db2.gz OFDHGXBSVUDKGF-JGVFFNPUSA-N -1 0 328.246 2.506 20 30 EFEDRM C=CCCC(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001344551239 962199578 /nfs/dbraw/zinc/19/95/78/962199578.db2.gz REHGGTWOWRXJJU-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001571190206 962239195 /nfs/dbraw/zinc/23/91/95/962239195.db2.gz CKMUEGPCNMLQBC-CQSZACIVSA-N -1 0 330.384 2.578 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(C#N)s2)c1 ZINC001571192022 962270662 /nfs/dbraw/zinc/27/06/62/962270662.db2.gz YSRAWNGXVYYGEC-AWEZNQCLSA-N -1 0 330.365 2.526 20 30 EFEDRM COC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2ccccc21 ZINC001574083497 962310245 /nfs/dbraw/zinc/31/02/45/962310245.db2.gz QHFRGSUTOCRTCB-SFHVURJKSA-N -1 0 340.335 2.569 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588920299 962368238 /nfs/dbraw/zinc/36/82/38/962368238.db2.gz GGGKAFCROUPRGN-UHFFFAOYSA-N -1 0 331.416 2.979 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001574111622 962459100 /nfs/dbraw/zinc/45/91/00/962459100.db2.gz OHTBBXMEENVSMA-KRWDZBQOSA-N -1 0 329.377 2.576 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC001571216196 962500122 /nfs/dbraw/zinc/50/01/22/962500122.db2.gz ITTPVPBLELPODJ-AWEZNQCLSA-N -1 0 334.253 2.531 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cn1 ZINC001571216304 962504360 /nfs/dbraw/zinc/50/43/60/962504360.db2.gz MZPVLBCRGSPLET-UHFFFAOYSA-N -1 0 333.706 2.625 20 30 EFEDRM N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC001571228708 962607520 /nfs/dbraw/zinc/60/75/20/962607520.db2.gz DQRSXLUDUHCPRI-SMDDNHRTSA-N -1 0 335.791 2.654 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2ccsc2CC(=O)[O-])cc1Cl ZINC001571230081 962626375 /nfs/dbraw/zinc/62/63/75/962626375.db2.gz ZKEZVJWPSZHVPJ-UHFFFAOYSA-N -1 0 334.784 2.830 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CSC1 ZINC001573302493 962653166 /nfs/dbraw/zinc/65/31/66/962653166.db2.gz WZVLHDGOEQLCSH-UHFFFAOYSA-N -1 0 341.392 2.516 20 30 EFEDRM C#CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001573302646 962658708 /nfs/dbraw/zinc/65/87/08/962658708.db2.gz YTIWEJSFTOQMOT-UHFFFAOYSA-N -1 0 325.320 2.745 20 30 EFEDRM C#C[C@H](Nc1ncncc1C(=O)[O-])c1ccc(Br)cc1 ZINC001573303176 962671543 /nfs/dbraw/zinc/67/15/43/962671543.db2.gz VZRHQQUNSVGZFP-LBPRGKRZSA-N -1 0 332.157 2.724 20 30 EFEDRM C#CCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001573310830 962690292 /nfs/dbraw/zinc/69/02/92/962690292.db2.gz DCIMMNNMDQXBCR-UHFFFAOYSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001573311037 962693539 /nfs/dbraw/zinc/69/35/39/962693539.db2.gz GYNLCKXYECKGBN-SFHVURJKSA-N -1 0 337.375 2.953 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001573311431 962702099 /nfs/dbraw/zinc/70/20/99/962702099.db2.gz PXIHYPBICXEGJZ-FPLPWBNLSA-N -1 0 327.311 2.792 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001573311787 962712996 /nfs/dbraw/zinc/71/29/96/962712996.db2.gz GVGIDTBVYOQFSM-HNNXBMFYSA-N -1 0 348.402 2.717 20 30 EFEDRM C#CCOc1cccc(Cl)c1CNCc1cc(C(=O)[O-])c(C)n1C ZINC001573312232 962719562 /nfs/dbraw/zinc/71/95/62/962719562.db2.gz OSQHYRBNQMNECR-UHFFFAOYSA-N -1 0 346.814 2.987 20 30 EFEDRM C#CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001573312811 962726129 /nfs/dbraw/zinc/72/61/29/962726129.db2.gz ZHTOXKNBJQYVFH-YLJYHZDGSA-N -1 0 335.359 2.896 20 30 EFEDRM C#Cc1ccc([C@@H](OC(=O)c2cc(C(=O)[O-])on2)C(F)(F)F)cc1 ZINC001573312829 962726225 /nfs/dbraw/zinc/72/62/25/962726225.db2.gz ZRIZPVIYBFCNDK-GFCCVEGCSA-N -1 0 339.225 2.815 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001573313421 962730627 /nfs/dbraw/zinc/73/06/27/962730627.db2.gz HUQQWYUIQCRWIN-GOSISDBHSA-N -1 0 342.782 2.532 20 30 EFEDRM C#Cc1ccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC001573313612 962732743 /nfs/dbraw/zinc/73/27/43/962732743.db2.gz MDBVYGUNCYWDSF-HNNXBMFYSA-N -1 0 340.354 2.872 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001573320309 962748453 /nfs/dbraw/zinc/74/84/53/962748453.db2.gz CNENROFZIODZPR-OAHLLOKOSA-N -1 0 347.802 2.983 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001573320972 962754340 /nfs/dbraw/zinc/75/43/40/962754340.db2.gz HHQOSWUEFAHSCS-MRXNPFEDSA-N -1 0 330.384 2.643 20 30 EFEDRM C=C(C)C[C@H](Nc1nc(C)nc2c1cnn2-c1ccccc1)C(=O)[O-] ZINC001573323995 962780420 /nfs/dbraw/zinc/78/04/20/962780420.db2.gz LJCQRURHHQKOKH-HNNXBMFYSA-N -1 0 337.383 2.955 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCCOc1cccc(Cl)c1 ZINC001573325768 962799017 /nfs/dbraw/zinc/79/90/17/962799017.db2.gz NTZPFGHZAGHEGW-UHFFFAOYSA-N -1 0 325.792 2.988 20 30 EFEDRM C=C(CC)C(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001573326711 962807432 /nfs/dbraw/zinc/80/74/32/962807432.db2.gz ZXTHFUJQADSVTJ-HNNXBMFYSA-N -1 0 336.819 2.576 20 30 EFEDRM C=CCC[C@H](NC(=O)COCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573328875 962811136 /nfs/dbraw/zinc/81/11/36/962811136.db2.gz QPLSYKGBMUBXAV-ZDUSSCGKSA-N -1 0 345.317 2.930 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC001573332998 962847682 /nfs/dbraw/zinc/84/76/82/962847682.db2.gz VGRDBUUROMVVHP-CVEARBPZSA-N -1 0 339.819 2.935 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC001573338778 962881208 /nfs/dbraw/zinc/88/12/08/962881208.db2.gz IMBBFIHDDZCASA-UHFFFAOYSA-N -1 0 335.360 2.628 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001573346591 962940219 /nfs/dbraw/zinc/94/02/19/962940219.db2.gz DHNMMANUMDVHLF-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001573348522 962959209 /nfs/dbraw/zinc/95/92/09/962959209.db2.gz YBLBBKNQLVMZLO-LBTNJELSSA-N -1 0 346.431 2.616 20 30 EFEDRM C=CCCC[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001573357056 963012881 /nfs/dbraw/zinc/01/28/81/963012881.db2.gz JARRJSOLFRIURD-ZDUSSCGKSA-N -1 0 338.335 2.592 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573357656 963019304 /nfs/dbraw/zinc/01/93/04/963019304.db2.gz QGQDZZSBOLYPHS-YGRLFVJLSA-N -1 0 327.327 2.658 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c[nH]nc1-c1ccc(OC)cc1)C(=O)[O-] ZINC001573364813 963051586 /nfs/dbraw/zinc/05/15/86/963051586.db2.gz BUFRIZCPVWYPST-HNNXBMFYSA-N -1 0 343.383 2.625 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC001573365944 963057180 /nfs/dbraw/zinc/05/71/80/963057180.db2.gz JDSUUNMUKBOIMQ-CYBMUJFWSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC001573366103 963058827 /nfs/dbraw/zinc/05/88/27/963058827.db2.gz JPXZXFZWXRIRSW-RYUDHWBXSA-N -1 0 339.404 2.541 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC001573366243 963059106 /nfs/dbraw/zinc/05/91/06/963059106.db2.gz KSCARZRBBLGUNE-NSHDSACASA-N -1 0 325.748 2.608 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc(C)c1Cl)C(=O)[O-] ZINC001573366177 963059139 /nfs/dbraw/zinc/05/91/39/963059139.db2.gz KBEWFGYRDCVEHM-NSHDSACASA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573367252 963064798 /nfs/dbraw/zinc/06/47/98/963064798.db2.gz TUGPZLYAZWKKTR-OAHLLOKOSA-N -1 0 341.415 2.607 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001573379403 963107008 /nfs/dbraw/zinc/10/70/08/963107008.db2.gz GPZNERWPNRLQHV-KEYYUXOJSA-N -1 0 337.803 2.737 20 30 EFEDRM Cc1cc(C(=O)[O-])nc(Oc2cc(Br)ccc2C#N)n1 ZINC000308015669 963251212 /nfs/dbraw/zinc/25/12/12/963251212.db2.gz RGWKYIFNLQKJRT-UHFFFAOYSA-N -1 0 334.129 2.910 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001588440207 964034826 /nfs/dbraw/zinc/03/48/26/964034826.db2.gz PQYPSYLPKFKUBJ-UHFFFAOYSA-N -1 0 343.379 2.618 20 30 EFEDRM C#CCCCCC(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001588440619 964040542 /nfs/dbraw/zinc/04/05/42/964040542.db2.gz DQMXRHWIKXYQMX-UHFFFAOYSA-N -1 0 335.356 2.543 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588442252 964055980 /nfs/dbraw/zinc/05/59/80/964055980.db2.gz HCFBSHSYEQQWFU-LBPRGKRZSA-N -1 0 330.363 2.571 20 30 EFEDRM C#CCCCc1nnc(N2CCc3ccc(C(=O)[O-])cc3C2)n1CC ZINC001588446492 964074746 /nfs/dbraw/zinc/07/47/46/964074746.db2.gz IGVZGFHQPGXLDP-UHFFFAOYSA-N -1 0 338.411 2.515 20 30 EFEDRM C#CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588446605 964076078 /nfs/dbraw/zinc/07/60/78/964076078.db2.gz SLLFMQNZDWYZNC-UHFFFAOYSA-N -1 0 326.299 2.564 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000232523450 967742973 /nfs/dbraw/zinc/74/29/73/967742973.db2.gz QQZCCJYQDFPXLY-UHFFFAOYSA-N -1 0 325.162 2.681 20 30 EFEDRM CSc1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C#N ZINC000898871488 969416992 /nfs/dbraw/zinc/41/69/92/969416992.db2.gz MOGVXHLDQMTPBF-SMDDNHRTSA-N -1 0 347.440 2.532 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)cc2n1 ZINC000899316595 969420210 /nfs/dbraw/zinc/42/02/10/969420210.db2.gz GQOOBUUCYPYFNS-GXTWGEPZSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000901755633 969471446 /nfs/dbraw/zinc/47/14/46/969471446.db2.gz UUKWKIYFSLSPHF-CABCVRRESA-N -1 0 335.375 2.610 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903690641 969587574 /nfs/dbraw/zinc/58/75/74/969587574.db2.gz LXXBYCXQYYYRSF-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001341452835 969754583 /nfs/dbraw/zinc/75/45/83/969754583.db2.gz XSVODNYLXXDOSL-HYVNUMGLSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001341452833 969754631 /nfs/dbraw/zinc/75/46/31/969754631.db2.gz XSVODNYLXXDOSL-BHYGNILZSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC(C)(C)c1nc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)no1 ZINC001609626224 970426914 /nfs/dbraw/zinc/42/69/14/970426914.db2.gz JOBTZHSMUHAUKF-VIFPVBQESA-N -1 0 325.365 2.574 20 30 EFEDRM C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001609903431 970597856 /nfs/dbraw/zinc/59/78/56/970597856.db2.gz CPEWFJXBVBEUSN-ZUZCIYMTSA-N -1 0 342.317 2.930 20 30 EFEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc2ccccc2n1CC#N ZINC001604999626 972599140 /nfs/dbraw/zinc/59/91/40/972599140.db2.gz RRJJRFCBMJEDOU-IUODEOHRSA-N -1 0 325.368 2.633 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396471233 972899953 /nfs/dbraw/zinc/89/99/53/972899953.db2.gz YGDJSSXGGJZTHW-VIFPVBQESA-N -1 0 327.178 2.905 20 30 EFEDRM Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001605201107 972930133 /nfs/dbraw/zinc/93/01/33/972930133.db2.gz ZFWHWNUSHRSQDE-BXUZGUMPSA-N -1 0 344.415 2.507 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001605244320 973006266 /nfs/dbraw/zinc/00/62/66/973006266.db2.gz CDKGSWLWBSOADF-JPMGXVIASA-N -1 0 349.386 2.945 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605244654 973007943 /nfs/dbraw/zinc/00/79/43/973007943.db2.gz NTCYQJIJRHSUQB-HNNXBMFYSA-N -1 0 327.315 2.953 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000398071810 973063142 /nfs/dbraw/zinc/06/31/42/973063142.db2.gz MOWZDPJHIWPKCT-SNVBAGLBSA-N -1 0 329.393 2.855 20 30 EFEDRM C[C@@H]1CCc2nc(NC(=O)Cc3ccccc3C(=O)[O-])c(C#N)cc2C1 ZINC001603438894 973210906 /nfs/dbraw/zinc/21/09/06/973210906.db2.gz GMHVBZPVSXLXFW-GFCCVEGCSA-N -1 0 349.390 2.957 20 30 EFEDRM C[C@@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC001603440352 973224299 /nfs/dbraw/zinc/22/42/99/973224299.db2.gz WWLIIJLCYZUXPF-RISCZKNCSA-N -1 0 339.313 2.626 20 30 EFEDRM C[C@@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC001603440350 973224365 /nfs/dbraw/zinc/22/43/65/973224365.db2.gz WWLIIJLCYZUXPF-BXUZGUMPSA-N -1 0 339.313 2.626 20 30 EFEDRM O=C([O-])CC1(C(=O)OCC#Cc2ccccc2Cl)CCOCC1 ZINC001606074597 973230381 /nfs/dbraw/zinc/23/03/81/973230381.db2.gz HTEHFXYYGSXYDX-UHFFFAOYSA-N -1 0 336.771 2.506 20 30 EFEDRM O=C([O-])CCC(Cc1ccccc1)N=Nc1cn[nH]c(=O)c1Cl ZINC001606103529 973284529 /nfs/dbraw/zinc/28/45/29/973284529.db2.gz JWIFZVRLHQELSP-UHFFFAOYSA-N -1 0 334.763 2.711 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC001604461932 973308130 /nfs/dbraw/zinc/30/81/30/973308130.db2.gz NBARQNSBEQXKIO-BEPCFFQHSA-N -1 0 336.413 2.734 20 30 EFEDRM Cc1nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc1SCC#N ZINC001605408980 973411250 /nfs/dbraw/zinc/41/12/50/973411250.db2.gz XDKXTYULQRDWPK-QMMMGPOBSA-N -1 0 327.431 2.753 20 30 EFEDRM Cc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)sc1SCC#N ZINC001605410995 973414795 /nfs/dbraw/zinc/41/47/95/973414795.db2.gz SEJWQSNIUARFMF-BDAKNGLRSA-N -1 0 325.415 2.507 20 30 EFEDRM CC[C@@H](C(=O)[O-])N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001603498607 973461161 /nfs/dbraw/zinc/46/11/61/973461161.db2.gz PUKXWCDZXPPVOG-HNNXBMFYSA-N -1 0 327.384 2.533 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604597629 973693280 /nfs/dbraw/zinc/69/32/80/973693280.db2.gz LTOJFVBPKMZRCX-UHFFFAOYSA-N -1 0 343.742 2.571 20 30 EFEDRM COCCN(CCC(=O)[O-])c1cc(C(F)(F)F)c(F)cc1C#N ZINC001604610262 973720092 /nfs/dbraw/zinc/72/00/92/973720092.db2.gz IMTTZAVDUYJGCD-UHFFFAOYSA-N -1 0 334.269 2.644 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1CNc1ccc(OC(C)(C)C)c(C#N)c1 ZINC001605545310 973753962 /nfs/dbraw/zinc/75/39/62/973753962.db2.gz VTBDUFGQOLJWLV-UHFFFAOYSA-N -1 0 328.372 2.779 20 30 EFEDRM COCc1cc(C#N)ccc1NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001604640843 973772816 /nfs/dbraw/zinc/77/28/16/973772816.db2.gz UNQSHQNYALSBAM-SWKXRBFHSA-N -1 0 330.384 2.529 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC001603594553 973825243 /nfs/dbraw/zinc/82/52/43/973825243.db2.gz ZFFSAQHIOGDWBS-INIZCTEOSA-N -1 0 336.338 2.753 20 30 EFEDRM N#CC[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C(F)(F)F ZINC001605581690 973859709 /nfs/dbraw/zinc/85/97/09/973859709.db2.gz HLFKMSPEGFXDCY-NSHDSACASA-N -1 0 329.278 2.670 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC001605590863 973886254 /nfs/dbraw/zinc/88/62/54/973886254.db2.gz OSMREJFIJSMQMI-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1ccc(C(=O)[O-])nc1)CCCC2 ZINC001605591026 973888181 /nfs/dbraw/zinc/88/81/81/973888181.db2.gz UIUCWZFHTFJEBA-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(F)cc1F ZINC001605592073 973893554 /nfs/dbraw/zinc/89/35/54/973893554.db2.gz RZVZUTJXHSESOR-CQSZACIVSA-N -1 0 349.268 2.923 20 30 EFEDRM N#CCc1ccc(Oc2ccc(C(=O)N3CC(C(=O)[O-])C3)cc2)cc1 ZINC001605601242 973901867 /nfs/dbraw/zinc/90/18/67/973901867.db2.gz DOWMISUIPOOKLH-UHFFFAOYSA-N -1 0 336.347 2.702 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001605611191 973916251 /nfs/dbraw/zinc/91/62/51/973916251.db2.gz KEYQSBPFHVBIJS-OAHLLOKOSA-N -1 0 332.425 2.647 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605619878 973941259 /nfs/dbraw/zinc/94/12/59/973941259.db2.gz KZQBAUGTQRXJNP-VIBWXPCQSA-N -1 0 346.386 2.898 20 30 EFEDRM N#Cc1sc(NC(=O)Nc2cccc(CC(=O)[O-])c2)nc1Cl ZINC001605626163 973953194 /nfs/dbraw/zinc/95/31/94/973953194.db2.gz GWYPGIZKYSTXGQ-UHFFFAOYSA-N -1 0 336.760 2.939 20 30 EFEDRM COc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C#N ZINC001604813260 974053685 /nfs/dbraw/zinc/05/36/85/974053685.db2.gz ZCEHWNWMJCLQQE-LEWSCRJBSA-N -1 0 345.399 2.824 20 30 EFEDRM O=C([O-])C1(NC(=O)C(=O)/C=C\c2ccc(F)cc2)CCCCCC1 ZINC001605669011 974072902 /nfs/dbraw/zinc/07/29/02/974072902.db2.gz YJZLLZCDAINOAD-YFHOEESVSA-N -1 0 333.359 2.702 20 30 EFEDRM CC[C@H](C)[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001603926255 974418348 /nfs/dbraw/zinc/41/83/48/974418348.db2.gz SQSOILXNKDJHMP-GUYCJALGSA-N -1 0 332.400 2.723 20 30 EFEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC001604025351 974549968 /nfs/dbraw/zinc/54/99/68/974549968.db2.gz SJNRDMRCGGXYPW-AWEZNQCLSA-N -1 0 337.788 2.917 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1C#N ZINC001591786776 975959931 /nfs/dbraw/zinc/95/99/31/975959931.db2.gz RJOZUBXAPHMGPG-TZMCWYRMSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2cc(C#N)ccn2)c(C(=O)[O-])c1 ZINC001591787839 975965180 /nfs/dbraw/zinc/96/51/80/975965180.db2.gz DWDZYKWRJWWZOQ-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1C#N ZINC001591788719 975976655 /nfs/dbraw/zinc/97/66/55/975976655.db2.gz TZGRCNSTLDYPEP-UHFFFAOYSA-N -1 0 328.324 2.818 20 30 EFEDRM CC(C)[C@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001591883378 976240789 /nfs/dbraw/zinc/24/07/89/976240789.db2.gz GBQHMQMMXYSKBK-ZDUSSCGKSA-N -1 0 326.805 2.529 20 30 EFEDRM CN(c1cc(Br)c(C#N)cc1F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693017764 976567125 /nfs/dbraw/zinc/56/71/25/976567125.db2.gz OCJBYQXYJIUKFE-OTSSQURYSA-N -1 0 327.153 2.759 20 30 EFEDRM CC(C)c1ccccc1[C@@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)C1CC1 ZINC001591995100 976639007 /nfs/dbraw/zinc/63/90/07/976639007.db2.gz SEORGUYXBAMCRF-AWEZNQCLSA-N -1 0 344.436 2.647 20 30 EFEDRM C[C@H](CC#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1Br ZINC001592222293 977405972 /nfs/dbraw/zinc/40/59/72/977405972.db2.gz UKVGGFXPWWAKBI-KCJUWKMLSA-N -1 0 326.146 2.668 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592226484 977419505 /nfs/dbraw/zinc/41/95/05/977419505.db2.gz ZIOXTBHCJNTAFW-NDPMZMCLSA-N -1 0 348.424 2.898 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1cccnc1 ZINC001592289029 977603695 /nfs/dbraw/zinc/60/36/95/977603695.db2.gz BDHJKXVBLIDCRI-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC001592374533 977901446 /nfs/dbraw/zinc/90/14/46/977901446.db2.gz APKRAZXTFIBVIE-BXKDBHETSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592458617 978172194 /nfs/dbraw/zinc/17/21/94/978172194.db2.gz BMAZQZFWZPGZFT-ZDUSSCGKSA-N -1 0 342.399 2.632 20 30 EFEDRM CC(CCC(=O)[O-])N=Nc1c(F)cc(C(=O)NC2CC2)cc1F ZINC001592470027 978216898 /nfs/dbraw/zinc/21/68/98/978216898.db2.gz FDEWLNMOZZZXHM-UHFFFAOYSA-N -1 0 325.315 2.510 20 30 EFEDRM C[C@H](CCC#N)Sc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001592472067 978236462 /nfs/dbraw/zinc/23/64/62/978236462.db2.gz ZSRKKVXDKVQKIM-LLVKDONJSA-N -1 0 331.397 2.656 20 30 EFEDRM C[C@@H](CCC#N)Sc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001592472070 978236740 /nfs/dbraw/zinc/23/67/40/978236740.db2.gz ZSRKKVXDKVQKIM-NSHDSACASA-N -1 0 331.397 2.656 20 30 EFEDRM C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736545485 978342254 /nfs/dbraw/zinc/34/22/54/978342254.db2.gz QCRDJVTZPZNAPV-JTQLQIEISA-N -1 0 328.290 2.636 20 30 EFEDRM Cc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(OCC#N)cc2)s1 ZINC000738216654 978501850 /nfs/dbraw/zinc/50/18/50/978501850.db2.gz HTTWWASRCSICMG-UHFFFAOYSA-N -1 0 330.365 2.838 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000746498366 978685556 /nfs/dbraw/zinc/68/55/56/978685556.db2.gz XHXFPEJQXISGRP-UHFFFAOYSA-N -1 0 342.355 2.753 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000781957220 978791049 /nfs/dbraw/zinc/79/10/49/978791049.db2.gz FKYMIFVXYVPODJ-NSHDSACASA-N -1 0 327.377 2.562 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000781957929 978791089 /nfs/dbraw/zinc/79/10/89/978791089.db2.gz KEQWTVZTZHXYSJ-GFCCVEGCSA-N -1 0 327.377 2.562 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000781957192 978791159 /nfs/dbraw/zinc/79/11/59/978791159.db2.gz DPDYFIQMFJPWQG-LLVKDONJSA-N -1 0 329.805 2.767 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])cs2)c1C ZINC000782205680 978791833 /nfs/dbraw/zinc/79/18/33/978791833.db2.gz ADOJMBHEYWADLA-PLNGDYQASA-N -1 0 334.397 2.802 20 30 EFEDRM O=C([O-])COc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790308672 978799413 /nfs/dbraw/zinc/79/94/13/978799413.db2.gz KLRQRFCQQAGJIE-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM O=C([O-])c1cccc(/C=C2/CCc3c(cnn3-c3ncccn3)C2=O)c1 ZINC000792918205 978801315 /nfs/dbraw/zinc/80/13/15/978801315.db2.gz XCAWMYYZRIXCNP-LCYFTJDESA-N -1 0 346.346 2.573 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793384719 978806074 /nfs/dbraw/zinc/80/60/74/978806074.db2.gz LPOYNILQOPMDEY-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)cn1 ZINC000794526958 978812774 /nfs/dbraw/zinc/81/27/74/978812774.db2.gz ZKPYIPFGSJQOFS-UHFFFAOYSA-N -1 0 335.161 2.773 20 30 EFEDRM Cc1nn(-c2ccccc2)c(N)c1C=[NH+][N-]c1ccccc1C(=O)[O-] ZINC000794887488 978825908 /nfs/dbraw/zinc/82/59/08/978825908.db2.gz IPHRZRDXRUTNEF-UHFFFAOYSA-N -1 0 335.367 2.907 20 30 EFEDRM C[C@@H]1C(=NNC(=S)NCc2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000814786077 978885150 /nfs/dbraw/zinc/88/51/50/978885150.db2.gz TYQMTMMNWUNOOK-JQWIXIFHSA-N -1 0 337.420 2.667 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000820352679 978925658 /nfs/dbraw/zinc/92/56/58/978925658.db2.gz BBWSGAZESKDEQA-UPJWGTAASA-N -1 0 326.179 2.690 20 30 EFEDRM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001592688799 979132725 /nfs/dbraw/zinc/13/27/25/979132725.db2.gz NXTGBDDVDTUXDJ-LBPRGKRZSA-N -1 0 347.415 2.601 20 30 EFEDRM CC[C@H](C)n1nccc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001595030040 979163442 /nfs/dbraw/zinc/16/34/42/979163442.db2.gz KGPXREOUNLAZRE-ZDUSSCGKSA-N -1 0 326.352 2.761 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)nc1 ZINC000833367889 979171810 /nfs/dbraw/zinc/17/18/10/979171810.db2.gz ANGFXOSZYFEUGR-AWEZNQCLSA-N -1 0 333.702 2.838 20 30 EFEDRM CCOc1cc(C#N)ccc1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC000833661888 979217256 /nfs/dbraw/zinc/21/72/56/979217256.db2.gz WZUNYASHELEDBM-UHFFFAOYSA-N -1 0 346.364 2.734 20 30 EFEDRM C[C@](CNc1cc(C#N)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592728416 979236327 /nfs/dbraw/zinc/23/63/27/979236327.db2.gz BOANRSSJQZFLCC-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001595047978 979263504 /nfs/dbraw/zinc/26/35/04/979263504.db2.gz RMBVOOGPGBPUOD-GFCCVEGCSA-N -1 0 346.383 2.710 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1nc(Cl)c(C#N)s1)C(=O)[O-] ZINC001595071961 979344217 /nfs/dbraw/zinc/34/42/17/979344217.db2.gz SVUNYHQKYUYICM-UHFFFAOYSA-N -1 0 330.797 2.681 20 30 EFEDRM CC[C@@](C/N=C\c1ccc(O)c(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131561 979554960 /nfs/dbraw/zinc/55/49/60/979554960.db2.gz XCNOLUBYOYILLY-LTUPMRBCSA-N -1 0 329.352 2.655 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001592834769 979579448 /nfs/dbraw/zinc/57/94/48/979579448.db2.gz WMQNLBSBRQPEQY-AWEZNQCLSA-N -1 0 336.391 2.680 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC001592846905 979622680 /nfs/dbraw/zinc/62/26/80/979622680.db2.gz DPGLDRCTUNBYLI-GOSISDBHSA-N -1 0 344.317 2.652 20 30 EFEDRM CC[C@@H](CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001595147219 979625118 /nfs/dbraw/zinc/62/51/18/979625118.db2.gz OPNXWGAWOMUVCY-CMPLNLGQSA-N -1 0 343.305 2.572 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1C)C(=O)[O-] ZINC000864187789 979835090 /nfs/dbraw/zinc/83/50/90/979835090.db2.gz OPWWOKCUOCVOHA-MRXNPFEDSA-N -1 0 328.368 2.701 20 30 EFEDRM CC[C@@](COC)(NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001595194915 979907132 /nfs/dbraw/zinc/90/71/32/979907132.db2.gz SXPNHXOMEPVFGZ-KRWDZBQOSA-N -1 0 346.408 2.691 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864449562 979935849 /nfs/dbraw/zinc/93/58/49/979935849.db2.gz OLVOASCITXVZDY-SNVBAGLBSA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864449561 979936068 /nfs/dbraw/zinc/93/60/68/979936068.db2.gz OLVOASCITXVZDY-JTQLQIEISA-N -1 0 338.212 2.691 20 30 EFEDRM CC[C@@H](Cc1cn(Cc2ccccc2C(C)(C)C#N)nn1)C(=O)[O-] ZINC001595218248 980031495 /nfs/dbraw/zinc/03/14/95/980031495.db2.gz KQGSFRVUYXSXTE-ZDUSSCGKSA-N -1 0 326.400 2.781 20 30 EFEDRM C[C@H](Oc1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1)C(=O)[O-] ZINC000872406984 980075282 /nfs/dbraw/zinc/07/52/82/980075282.db2.gz NUGDPFHJCVTOKN-AAEUAGOBSA-N -1 0 326.343 2.897 20 30 EFEDRM C[C@@](NC(=O)C#CC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001592969622 980100832 /nfs/dbraw/zinc/10/08/32/980100832.db2.gz VFNFURLJMDPDAE-HNNXBMFYSA-N -1 0 326.179 2.823 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2n1 ZINC000899318221 980227551 /nfs/dbraw/zinc/22/75/51/980227551.db2.gz RQQWZPJWOKTIDO-YPMHNXCESA-N -1 0 328.372 2.597 20 30 EFEDRM O=C([O-])c1ccc(N=NC2C[C@]3(CCOC3)Oc3ccccc32)nc1 ZINC000901205727 980259284 /nfs/dbraw/zinc/25/92/84/980259284.db2.gz PPGZVKUROCNNBH-SFHVURJKSA-N -1 0 339.351 2.538 20 30 EFEDRM O=C([O-])c1ccc(N=NC2C[C@@]3(CCOC3)Oc3ccccc32)nc1 ZINC000901205724 980259627 /nfs/dbraw/zinc/25/96/27/980259627.db2.gz PPGZVKUROCNNBH-GOSISDBHSA-N -1 0 339.351 2.538 20 30 EFEDRM CC[C@@](NC(=O)c1ccc(C#N)cn1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595266539 980280938 /nfs/dbraw/zinc/28/09/38/980280938.db2.gz YPVBLNDASVORHC-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000901576298 980390096 /nfs/dbraw/zinc/39/00/96/980390096.db2.gz YYRGIHASRSWFJA-OAHLLOKOSA-N -1 0 328.412 2.939 20 30 EFEDRM CC[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](C)C(=O)[O-] ZINC001595353132 980678243 /nfs/dbraw/zinc/67/82/43/980678243.db2.gz NKZWHPVSURHDBD-XCBNKYQSSA-N -1 0 330.262 2.628 20 30 EFEDRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595355244 980700477 /nfs/dbraw/zinc/70/04/77/980700477.db2.gz SJHMCEYLSUANFT-KFWWJZLASA-N -1 0 336.432 2.577 20 30 EFEDRM N#C[C@@]1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC2CCC1CC2 ZINC000902069798 980719625 /nfs/dbraw/zinc/71/96/25/980719625.db2.gz OVQFWQKPILYLDJ-WXIRVQQESA-N -1 0 338.407 2.917 20 30 EFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1(C#N)CCOCC1 ZINC001595361862 980765884 /nfs/dbraw/zinc/76/58/84/980765884.db2.gz QHXOCSBQMCVOSH-INIZCTEOSA-N -1 0 344.411 2.761 20 30 EFEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc1)C(=O)[O-] ZINC000905075747 981088732 /nfs/dbraw/zinc/08/87/32/981088732.db2.gz ZGDLXANZOIAYOJ-RSPDNQDQSA-N -1 0 340.379 2.967 20 30 EFEDRM CCC[C@@H]1C[C@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001595620480 981689969 /nfs/dbraw/zinc/68/99/69/981689969.db2.gz JRPKWZJXDNKHHB-IAGOWNOFSA-N -1 0 330.380 2.875 20 30 EFEDRM CCC[C@H]1CCCC[C@H]1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595622974 981715597 /nfs/dbraw/zinc/71/55/97/981715597.db2.gz ZBAPYBFJXFALKO-GJZGRUSLSA-N -1 0 335.448 2.993 20 30 EFEDRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001594766113 981720531 /nfs/dbraw/zinc/72/05/31/981720531.db2.gz TXJONGMCIUHHPP-BVTUPMQUSA-N -1 0 345.395 2.521 20 30 EFEDRM CCCC[C@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)[O-] ZINC001595636551 981918556 /nfs/dbraw/zinc/91/85/56/981918556.db2.gz ATQDRQGZDWAJHL-LBPRGKRZSA-N -1 0 339.189 2.694 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001595651520 982022895 /nfs/dbraw/zinc/02/28/95/982022895.db2.gz HFIBKNXWXVHDFH-CRAIPNDOSA-N -1 0 349.431 2.859 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC001595652367 982033159 /nfs/dbraw/zinc/03/31/59/982033159.db2.gz SSCKBSUJMIIEHF-LSDHHAIUSA-N -1 0 335.404 2.685 20 30 EFEDRM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC001595652366 982033637 /nfs/dbraw/zinc/03/36/37/982033637.db2.gz SSCKBSUJMIIEHF-HUUCEWRRSA-N -1 0 335.404 2.685 20 30 EFEDRM CCCCCCCNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595704475 982275275 /nfs/dbraw/zinc/27/52/75/982275275.db2.gz PQHQUJPCTZHBPH-GOSISDBHSA-N -1 0 340.464 2.748 20 30 EFEDRM CCCCCCCNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595704476 982275290 /nfs/dbraw/zinc/27/52/90/982275290.db2.gz PQHQUJPCTZHBPH-SFHVURJKSA-N -1 0 340.464 2.748 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595705408 982285784 /nfs/dbraw/zinc/28/57/84/982285784.db2.gz YZPVBOMNKBGFHA-HUUCEWRRSA-N -1 0 340.464 2.517 20 30 EFEDRM CCCCCCCS(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001595709042 982289919 /nfs/dbraw/zinc/28/99/19/982289919.db2.gz RIFOTMRSMRLYIU-MRXNPFEDSA-N -1 0 339.457 2.971 20 30 EFEDRM CCCCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595709232 982291049 /nfs/dbraw/zinc/29/10/49/982291049.db2.gz XGCMPKNKEANYOL-CQSZACIVSA-N -1 0 349.399 2.980 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000914840763 982660698 /nfs/dbraw/zinc/66/06/98/982660698.db2.gz SMSJVDYUFMXVOD-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM C[C@](CNC(=O)[C@]1(C#N)CC12CCCC2)(C(=O)[O-])c1ccccc1 ZINC000923075974 982708219 /nfs/dbraw/zinc/70/82/19/982708219.db2.gz UBIYPNDURRKPTF-IEBWSBKVSA-N -1 0 326.396 2.619 20 30 EFEDRM CN(C(=O)[C@]1(C#N)CC2CCC1CC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923079226 982710190 /nfs/dbraw/zinc/71/01/90/982710190.db2.gz CDVHCAGJQHUBGH-MHVYXZCWSA-N -1 0 342.395 2.833 20 30 EFEDRM C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000923082340 982712350 /nfs/dbraw/zinc/71/23/50/982712350.db2.gz QHXNJLGHFBHYMK-BFUOFWGJSA-N -1 0 342.395 2.801 20 30 EFEDRM N#C[C@]1(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])CC2CCC1CC2 ZINC000923104916 982727936 /nfs/dbraw/zinc/72/79/36/982727936.db2.gz UKZCKMPFLYQKHJ-GFTQOHIISA-N -1 0 344.386 2.658 20 30 EFEDRM N#C[C@]1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CC12CCCC2 ZINC000923106048 982728709 /nfs/dbraw/zinc/72/87/09/982728709.db2.gz JJZJMXRKPQBCTK-GTNSWQLSSA-N -1 0 345.424 2.631 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000923113420 982732644 /nfs/dbraw/zinc/73/26/44/982732644.db2.gz TUBLQHOMCKEKKS-CQSZACIVSA-N -1 0 343.427 2.752 20 30 EFEDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(C#N)c1Br ZINC001594977066 982754030 /nfs/dbraw/zinc/75/40/30/982754030.db2.gz BSGBHFJXFBAJKT-SECBINFHSA-N -1 0 339.189 2.646 20 30 EFEDRM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(C#N)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985370 982800140 /nfs/dbraw/zinc/80/01/40/982800140.db2.gz OGLHFHZBQPIBJU-RFAUZJTJSA-N -1 0 331.347 2.921 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001595885712 982909059 /nfs/dbraw/zinc/90/90/59/982909059.db2.gz CLIIYBXNEKTTRJ-KRWDZBQOSA-N -1 0 343.427 2.981 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001595886011 982912957 /nfs/dbraw/zinc/91/29/57/982912957.db2.gz SHJGTUQIGLAJDN-DLBZAZTESA-N -1 0 344.411 2.567 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001119586244 982994295 /nfs/dbraw/zinc/99/42/95/982994295.db2.gz BPRSOPLBRATHKP-HNNXBMFYSA-N -1 0 328.368 2.810 20 30 EFEDRM C=CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361728 983026788 /nfs/dbraw/zinc/02/67/88/983026788.db2.gz BCOHKJBCGPDNSY-ZDUSSCGKSA-N -1 0 340.217 2.924 20 30 EFEDRM CCCOc1cc(F)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595949894 983117957 /nfs/dbraw/zinc/11/79/57/983117957.db2.gz DDMHDYXPVLVYIV-UHFFFAOYSA-N -1 0 349.362 2.837 20 30 EFEDRM C#C[C@@](C)(CC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588367398 983298626 /nfs/dbraw/zinc/29/86/26/983298626.db2.gz SFHVDTKXPKBHDE-SFHVURJKSA-N -1 0 341.367 2.622 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588368344 983305706 /nfs/dbraw/zinc/30/57/06/983305706.db2.gz KNROGNGPXWCBDM-VIFPVBQESA-N -1 0 339.189 2.941 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588368342 983305790 /nfs/dbraw/zinc/30/57/90/983305790.db2.gz KNROGNGPXWCBDM-SECBINFHSA-N -1 0 339.189 2.941 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588369269 983312290 /nfs/dbraw/zinc/31/22/90/983312290.db2.gz HIFWWUDXKCVJDX-ZDUSSCGKSA-N -1 0 339.395 2.736 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588369463 983314291 /nfs/dbraw/zinc/31/42/91/983314291.db2.gz MNJRBIFVBPKYLU-CVEARBPZSA-N -1 0 328.412 2.906 20 30 EFEDRM C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])C(C)(C)C ZINC001588370712 983321832 /nfs/dbraw/zinc/32/18/32/983321832.db2.gz LMFGBDBXQWLEFX-OAHLLOKOSA-N -1 0 344.411 2.611 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372082 983327734 /nfs/dbraw/zinc/32/77/34/983327734.db2.gz CMSIKIKNUOQLRI-LSDHHAIUSA-N -1 0 346.814 2.911 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372275 983329267 /nfs/dbraw/zinc/32/92/67/983329267.db2.gz HCDCWISAURGTNE-FZMZJTMJSA-N -1 0 336.750 2.626 20 30 EFEDRM C#C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001588372219 983329430 /nfs/dbraw/zinc/32/94/30/983329430.db2.gz FXLMJMGRZYSHBF-GUDVDZBRSA-N -1 0 348.402 2.871 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001588372794 983334392 /nfs/dbraw/zinc/33/43/92/983334392.db2.gz SVTSLDQRXMFYQG-NVXWUHKLSA-N -1 0 328.412 2.762 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001588373375 983337938 /nfs/dbraw/zinc/33/79/38/983337938.db2.gz FHBXGDSZNHDZIY-LLVKDONJSA-N -1 0 349.799 2.668 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001588373378 983338155 /nfs/dbraw/zinc/33/81/55/983338155.db2.gz FHBXGDSZNHDZIY-NSHDSACASA-N -1 0 349.799 2.668 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001588373790 983339809 /nfs/dbraw/zinc/33/98/09/983339809.db2.gz KBWVFDKJBKZNER-AWEZNQCLSA-N -1 0 334.335 2.757 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001588374501 983344705 /nfs/dbraw/zinc/34/47/05/983344705.db2.gz YEIVZQBFJYVWFQ-CQSZACIVSA-N -1 0 327.315 2.723 20 30 EFEDRM C#C[C@@H](Nc1ncc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC001588375524 983345415 /nfs/dbraw/zinc/34/54/15/983345415.db2.gz AJZFZCVPMMLTJS-GFCCVEGCSA-N -1 0 332.157 2.724 20 30 EFEDRM C#CC1(F)CN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001588375779 983347767 /nfs/dbraw/zinc/34/77/67/983347767.db2.gz IPPKZAXBOIBKMM-UHFFFAOYSA-N -1 0 345.374 2.564 20 30 EFEDRM C#C[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588376399 983351546 /nfs/dbraw/zinc/35/15/46/983351546.db2.gz SZVCYQYFXZVBHZ-LLVKDONJSA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001588377267 983356361 /nfs/dbraw/zinc/35/63/61/983356361.db2.gz KGZKSFKSIOMJBU-CQSZACIVSA-N -1 0 343.832 2.579 20 30 EFEDRM C#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377938 983360085 /nfs/dbraw/zinc/36/00/85/983360085.db2.gz SMZUCNUGDSKLEK-ZDUSSCGKSA-N -1 0 332.718 2.677 20 30 EFEDRM C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588382044 983368259 /nfs/dbraw/zinc/36/82/59/983368259.db2.gz DQOLFAQKNNZDFJ-ZDUSSCGKSA-N -1 0 343.404 2.714 20 30 EFEDRM C#CC1CCC(c2nnc(N3C[C@@H](C)[C@H](C(=O)[O-])C3)n2CC=C)CC1 ZINC001588382101 983368637 /nfs/dbraw/zinc/36/86/37/983368637.db2.gz GJWWLFZOVFGFSB-PRLABOORSA-N -1 0 342.443 2.528 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001588382214 983369204 /nfs/dbraw/zinc/36/92/04/983369204.db2.gz JWBSWEHIWMZLJN-NSHDSACASA-N -1 0 334.347 2.942 20 30 EFEDRM C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001588382798 983375101 /nfs/dbraw/zinc/37/51/01/983375101.db2.gz JEMFLEUNXQDABU-CYBMUJFWSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1CC=C ZINC001588389792 983389007 /nfs/dbraw/zinc/38/90/07/983389007.db2.gz BFFNUAFSZSQJIA-HNNXBMFYSA-N -1 0 344.459 2.846 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCc3cc(C(=O)[O-])ccc3C2)n1C ZINC001588390102 983391695 /nfs/dbraw/zinc/39/16/95/983391695.db2.gz KZDQELPAXNYRET-CYBMUJFWSA-N -1 0 338.411 2.593 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1C ZINC001588390306 983393072 /nfs/dbraw/zinc/39/30/72/983393072.db2.gz QWKXGAIXTXYTDJ-UONOGXRCSA-N -1 0 332.448 2.659 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588390503 983394773 /nfs/dbraw/zinc/39/47/73/983394773.db2.gz WJNYWTHVHZHMLO-PKOBYXMFSA-N -1 0 337.419 2.729 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588393436 983398095 /nfs/dbraw/zinc/39/80/95/983398095.db2.gz BQAQGALXWZDHDR-GOSISDBHSA-N -1 0 336.391 2.819 20 30 EFEDRM C#CC[C@H](CCOC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001588393709 983399723 /nfs/dbraw/zinc/39/97/23/983399723.db2.gz JEKBNUWNASNFHU-SECBINFHSA-N -1 0 326.736 2.787 20 30 EFEDRM C#CC[C@H](NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC001588405785 983422679 /nfs/dbraw/zinc/42/26/79/983422679.db2.gz JFQMEUUJSDHWDZ-HNNXBMFYSA-N -1 0 329.396 2.558 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588406919 983426860 /nfs/dbraw/zinc/42/68/60/983426860.db2.gz BTAUQGJSSVOILD-CWSCBRNRSA-N -1 0 326.179 2.690 20 30 EFEDRM C#CC[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC001588413662 983431749 /nfs/dbraw/zinc/43/17/49/983431749.db2.gz FKXCPYWWTIONMK-JTQLQIEISA-N -1 0 325.151 2.681 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001588414452 983434215 /nfs/dbraw/zinc/43/42/15/983434215.db2.gz SZVQOAVNHQAAAK-INIZCTEOSA-N -1 0 336.391 2.935 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc(-c2cccc(Cl)c2)nc1C)C(=O)[O-] ZINC001588421329 983440501 /nfs/dbraw/zinc/44/05/01/983440501.db2.gz HDALDKHAGHDJJS-LBPRGKRZSA-N -1 0 348.811 2.978 20 30 EFEDRM C#CCC1(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CCCCC1 ZINC001588427550 983456742 /nfs/dbraw/zinc/45/67/42/983456742.db2.gz CEDVOLMFYBOZNY-UHFFFAOYSA-N -1 0 349.818 2.959 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC001588427647 983457202 /nfs/dbraw/zinc/45/72/02/983457202.db2.gz HAWFIDFRPQBYQS-NSHDSACASA-N -1 0 334.347 2.745 20 30 EFEDRM CCN(C(=O)[C@@H](C#N)CCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596126522 983465563 /nfs/dbraw/zinc/46/55/63/983465563.db2.gz AUONNXMHUJZUPE-CYBMUJFWSA-N -1 0 343.408 2.967 20 30 EFEDRM C#CC[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C1 ZINC001588433513 983467937 /nfs/dbraw/zinc/46/79/37/983467937.db2.gz ABPDLUNYFMBLOO-CYBMUJFWSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001588434020 983468989 /nfs/dbraw/zinc/46/89/89/983468989.db2.gz FRORWRSACGBJTQ-JTQLQIEISA-N -1 0 338.310 2.863 20 30 EFEDRM CCN(C(=O)C(=O)/C=C/c1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC001596128239 983472398 /nfs/dbraw/zinc/47/23/98/983472398.db2.gz LUWPFUXMQRHTDX-VMPITWQZSA-N -1 0 348.355 2.616 20 30 EFEDRM C#CCN(C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCCCC1 ZINC001588459635 983485318 /nfs/dbraw/zinc/48/53/18/983485318.db2.gz FRNFGZIAMOTIRC-NSHDSACASA-N -1 0 335.429 2.880 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001588466078 983498331 /nfs/dbraw/zinc/49/83/31/983498331.db2.gz UMTYCRXYZUKGFI-OAHLLOKOSA-N -1 0 337.803 2.743 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001588469960 983503871 /nfs/dbraw/zinc/50/38/71/983503871.db2.gz WGLCNYQNJLCWAY-UHFFFAOYSA-N -1 0 336.391 2.659 20 30 EFEDRM C#CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CSC1 ZINC001588471428 983506231 /nfs/dbraw/zinc/50/62/31/983506231.db2.gz NPGYESCDKZOFJW-UHFFFAOYSA-N -1 0 328.393 2.590 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588471476 983506798 /nfs/dbraw/zinc/50/67/98/983506798.db2.gz QFCLVEXWQXJMKT-UHFFFAOYSA-N -1 0 349.433 2.579 20 30 EFEDRM CCN(C(=O)c1[nH]c2ccccc2c1C#N)c1ncc(C(=O)[O-])s1 ZINC001596161351 983525393 /nfs/dbraw/zinc/52/53/93/983525393.db2.gz SXJAWCPHCOWJHH-UHFFFAOYSA-N -1 0 340.364 2.861 20 30 EFEDRM CCN(C(=O)c1cc(F)c(C#N)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001596164284 983526736 /nfs/dbraw/zinc/52/67/36/983526736.db2.gz KQHCHUHLJUESBQ-UHFFFAOYSA-N -1 0 337.307 2.658 20 30 EFEDRM CCN(C(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1C(=O)[O-] ZINC001596165662 983530495 /nfs/dbraw/zinc/53/04/95/983530495.db2.gz ZLOSIDPVWUZUEY-UHFFFAOYSA-N -1 0 329.743 2.972 20 30 EFEDRM C#CCOc1ccc(CNc2nnc(CCCC(=O)[O-])s2)cc1 ZINC001588497355 983538101 /nfs/dbraw/zinc/53/81/01/983538101.db2.gz AHKBLYXVISUXIC-UHFFFAOYSA-N -1 0 331.397 2.570 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC001588497782 983541012 /nfs/dbraw/zinc/54/10/12/983541012.db2.gz BJTFTAQBWQFZTF-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#CCOc1ccc(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001588497761 983541106 /nfs/dbraw/zinc/54/11/06/983541106.db2.gz ZNIGPUCUYCMCHQ-WIYYLYMNSA-N -1 0 349.386 2.573 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001588499191 983545101 /nfs/dbraw/zinc/54/51/01/983545101.db2.gz PAGKRPZECHIOGC-SFHVURJKSA-N -1 0 337.375 2.871 20 30 EFEDRM C#CCSCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC001588506523 983551887 /nfs/dbraw/zinc/55/18/87/983551887.db2.gz VEKWXGNAWYWTFQ-UHFFFAOYSA-N -1 0 342.214 2.761 20 30 EFEDRM C#CCSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC001588509574 983553349 /nfs/dbraw/zinc/55/33/49/983553349.db2.gz KYUALPXDQCEXHZ-UHFFFAOYSA-N -1 0 330.409 2.767 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC001588510315 983555184 /nfs/dbraw/zinc/55/51/84/983555184.db2.gz DUQGVGXJFYPQJA-CTYIDZIISA-N -1 0 326.396 2.645 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001588511001 983558542 /nfs/dbraw/zinc/55/85/42/983558542.db2.gz QVPLBSLLUUUMNW-NNUKFRKNSA-N -1 0 330.384 2.845 20 30 EFEDRM C#Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c(Cl)c1 ZINC001588516868 983562618 /nfs/dbraw/zinc/56/26/18/983562618.db2.gz FRSDDUSUEORMOC-UHFFFAOYSA-N -1 0 331.759 2.635 20 30 EFEDRM C#Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001588517753 983566659 /nfs/dbraw/zinc/56/66/59/983566659.db2.gz HJNHYWQWEDZLLU-QGZVFWFLSA-N -1 0 349.452 2.617 20 30 EFEDRM C#Cc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588517985 983567443 /nfs/dbraw/zinc/56/74/43/983567443.db2.gz LRYNFDCPDXAUFD-UHFFFAOYSA-N -1 0 338.363 2.739 20 30 EFEDRM C#Cc1cccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001588522188 983569904 /nfs/dbraw/zinc/56/99/04/983569904.db2.gz HDOHGFDMASRHQK-SFHVURJKSA-N -1 0 334.375 2.562 20 30 EFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2ccc(CC)cc2C(=O)[O-])c1 ZINC001588523837 983573203 /nfs/dbraw/zinc/57/32/03/983573203.db2.gz XCJOBIBLGVRHPO-UHFFFAOYSA-N -1 0 336.347 2.506 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001588523691 983573229 /nfs/dbraw/zinc/57/32/29/983573229.db2.gz TVEBZEASVRJTBY-LBPRGKRZSA-N -1 0 326.352 2.591 20 30 EFEDRM C#Cc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2OC)c1 ZINC001588524299 983574489 /nfs/dbraw/zinc/57/44/89/983574489.db2.gz FEUUKQHUDILHOX-UHFFFAOYSA-N -1 0 338.363 2.739 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001588524855 983576280 /nfs/dbraw/zinc/57/62/80/983576280.db2.gz VNVDSBCXNLCIMT-HXUWFJFHSA-N -1 0 339.366 2.552 20 30 EFEDRM C=C(Br)CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588528659 983577401 /nfs/dbraw/zinc/57/74/01/983577401.db2.gz BTNCTKYJCKJELS-LBPRGKRZSA-N -1 0 339.233 2.804 20 30 EFEDRM C#Cc1cncc(C(=O)Oc2c(CC=C)cc(C(=O)[O-])cc2OC)c1 ZINC001588528681 983577847 /nfs/dbraw/zinc/57/78/47/983577847.db2.gz DKNQDLCTKRLFGJ-UHFFFAOYSA-N -1 0 337.331 2.717 20 30 EFEDRM C=C(Br)CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588529380 983581162 /nfs/dbraw/zinc/58/11/62/983581162.db2.gz XQYABSYQMAUHCP-VIFPVBQESA-N -1 0 331.235 2.929 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cccnc1SCCC(=O)[O-])OCC ZINC001588534512 983585922 /nfs/dbraw/zinc/58/59/22/983585922.db2.gz HHVZTZGGDUCBID-ZDUSSCGKSA-N -1 0 338.429 2.958 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588534582 983586232 /nfs/dbraw/zinc/58/62/32/983586232.db2.gz AJYVFWLAUWBEGI-YMTOWFKASA-N -1 0 340.326 2.766 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001588534998 983587552 /nfs/dbraw/zinc/58/75/52/983587552.db2.gz DUWGOHSCDKOZAO-ZANVPECISA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001588534958 983587571 /nfs/dbraw/zinc/58/75/71/983587571.db2.gz DLBAMSHVTCNUQR-GHMZBOCLSA-N -1 0 336.363 2.569 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001588536698 983595488 /nfs/dbraw/zinc/59/54/88/983595488.db2.gz CZGDEVSUXORKIU-BREBYQMCSA-N -1 0 327.302 2.743 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588536859 983596181 /nfs/dbraw/zinc/59/61/81/983596181.db2.gz VAHNMXLUSJMBGX-XBVQOTNRSA-N -1 0 344.411 2.977 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)C(=O)[O-] ZINC001588543624 983612016 /nfs/dbraw/zinc/61/20/16/983612016.db2.gz LODYYMCQGFVMMK-SNVBAGLBSA-N -1 0 348.143 2.877 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588544088 983613055 /nfs/dbraw/zinc/61/30/55/983613055.db2.gz UCXVODROLJYYBV-ZDUSSCGKSA-N -1 0 339.775 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)[O-] ZINC001588546199 983614286 /nfs/dbraw/zinc/61/42/86/983614286.db2.gz AMBNEODNCQSVHV-INIZCTEOSA-N -1 0 339.395 2.999 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001588546261 983614580 /nfs/dbraw/zinc/61/45/80/983614580.db2.gz COKJCQDRZSAYKH-AWEZNQCLSA-N -1 0 330.359 2.980 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1csc2ccccc21)C(=O)[O-] ZINC001588555697 983636591 /nfs/dbraw/zinc/63/65/91/983636591.db2.gz PMRZVNBBZHYECM-NSHDSACASA-N -1 0 325.411 2.599 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc([C@@H](C)CC)cc1)C(=O)[O-] ZINC001588555783 983637443 /nfs/dbraw/zinc/63/74/43/983637443.db2.gz RXAVALXJBZCYHF-WFASDCNBSA-N -1 0 325.430 2.898 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588559488 983640293 /nfs/dbraw/zinc/64/02/93/983640293.db2.gz OSKNFVXWEIJTMY-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM C=C(C)CN(C)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001588561548 983641853 /nfs/dbraw/zinc/64/18/53/983641853.db2.gz KLIOKJRQSGDGSR-UHFFFAOYSA-N -1 0 345.182 2.665 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1occc1C(=O)[O-] ZINC001588567102 983645957 /nfs/dbraw/zinc/64/59/57/983645957.db2.gz CVTJSOLYUMKJNK-UHFFFAOYSA-N -1 0 335.381 2.745 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588567253 983646489 /nfs/dbraw/zinc/64/64/89/983646489.db2.gz HBMJVSXLKJIKDQ-UHFFFAOYSA-N -1 0 328.372 2.578 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001588567601 983647391 /nfs/dbraw/zinc/64/73/91/983647391.db2.gz OHVNBMQRMDRJFR-UHFFFAOYSA-N -1 0 346.408 2.547 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001588567789 983647842 /nfs/dbraw/zinc/64/78/42/983647842.db2.gz SJMPIINJJQDVTL-UHFFFAOYSA-N -1 0 333.340 2.590 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001588567844 983647917 /nfs/dbraw/zinc/64/79/17/983647917.db2.gz UEMHDTJYLZAPOK-UHFFFAOYSA-N -1 0 337.441 2.649 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC=CCC2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588591645 983673793 /nfs/dbraw/zinc/67/37/93/983673793.db2.gz LASZMLFWAWJSGC-RBSFLKMASA-N -1 0 330.432 2.835 20 30 EFEDRM C=C(C)Cn1c(CC)nnc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001588598149 983681828 /nfs/dbraw/zinc/68/18/28/983681828.db2.gz SOBHWNLKOWSRRE-MNOVXSKESA-N -1 0 346.353 2.506 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001588599109 983688204 /nfs/dbraw/zinc/68/82/04/983688204.db2.gz VJXXBWWOAIIMBD-SFHVURJKSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001588599309 983689525 /nfs/dbraw/zinc/68/95/25/983689525.db2.gz LSDMTZOAIALDIO-BXWFABGCSA-N -1 0 331.412 2.516 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588599477 983690242 /nfs/dbraw/zinc/69/02/42/983690242.db2.gz RZQSEXZJMGFYOJ-BXUZGUMPSA-N -1 0 334.328 2.521 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001588599553 983690499 /nfs/dbraw/zinc/69/04/99/983690499.db2.gz WMYWDUOVATUKKP-FSJMSVOZSA-N -1 0 332.352 2.680 20 30 EFEDRM C=C(C)c1cccc(NC(=O)C(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC001588605684 983694356 /nfs/dbraw/zinc/69/43/56/983694356.db2.gz NCBNNHQMIGPXJZ-UHFFFAOYSA-N -1 0 330.384 2.562 20 30 EFEDRM C=C(CC)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001588606042 983696010 /nfs/dbraw/zinc/69/60/10/983696010.db2.gz VLAVCARYTAPVHD-UHFFFAOYSA-N -1 0 345.182 2.713 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccccc1Br ZINC001588612133 983701876 /nfs/dbraw/zinc/70/18/76/983701876.db2.gz JKABNOMDHAAFLZ-UHFFFAOYSA-N -1 0 326.190 2.829 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC001588613691 983704741 /nfs/dbraw/zinc/70/47/41/983704741.db2.gz CGWSNWJZTZBJIW-KRWDZBQOSA-N -1 0 329.396 2.788 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001588613692 983704834 /nfs/dbraw/zinc/70/48/34/983704834.db2.gz CGWSNWJZTZBJIW-QGZVFWFLSA-N -1 0 329.396 2.788 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC001588613832 983705168 /nfs/dbraw/zinc/70/51/68/983705168.db2.gz FPFUXRZYRBIGFM-GFCCVEGCSA-N -1 0 349.349 2.615 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001588622279 983722987 /nfs/dbraw/zinc/72/29/87/983722987.db2.gz TURHQCASYFFPHS-CYBMUJFWSA-N -1 0 346.210 2.954 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001588622257 983723039 /nfs/dbraw/zinc/72/30/39/983723039.db2.gz SMQXLXKHJVTELW-HZPDHXFCSA-N -1 0 331.412 2.908 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC001588622339 983723267 /nfs/dbraw/zinc/72/32/67/983723267.db2.gz VYXQUHYTHCJILL-LBPRGKRZSA-N -1 0 345.399 2.569 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCCc1cn(-c2ccccc2)nc1C ZINC001588624454 983732289 /nfs/dbraw/zinc/73/22/89/983732289.db2.gz JELKJQSRQZEDJU-UHFFFAOYSA-N -1 0 341.411 2.651 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC001588629422 983737434 /nfs/dbraw/zinc/73/74/34/983737434.db2.gz KVASBTJAXXBUKM-AWEZNQCLSA-N -1 0 333.384 2.912 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(O)c(C(=O)OC(C)(C)C)c1 ZINC001588629489 983737816 /nfs/dbraw/zinc/73/78/16/983737816.db2.gz LEWLYWFYRBCGTC-UHFFFAOYSA-N -1 0 335.356 2.707 20 30 EFEDRM CCN(CCC(=O)[O-])C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001596312481 983740124 /nfs/dbraw/zinc/74/01/24/983740124.db2.gz LHWYDYRMDSNFAH-UHFFFAOYSA-N -1 0 327.384 2.882 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1Sc1nccn1C ZINC001588633187 983748334 /nfs/dbraw/zinc/74/83/34/983748334.db2.gz DMLSOKATTQKPQE-UHFFFAOYSA-N -1 0 331.397 2.931 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001588633707 983750882 /nfs/dbraw/zinc/75/08/82/983750882.db2.gz QDUAMYMRVYNIBO-UHFFFAOYSA-N -1 0 339.323 2.843 20 30 EFEDRM C=C(Cl)CNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588642621 983764981 /nfs/dbraw/zinc/76/49/81/983764981.db2.gz YLDCLXCQRSCFLH-UHFFFAOYSA-N -1 0 347.596 2.699 20 30 EFEDRM C=C(Cl)Cn1c(Br)nc(C(=O)[O-])c1Br ZINC001588643386 983766172 /nfs/dbraw/zinc/76/61/72/983766172.db2.gz ICYOMCPHCJLLKK-UHFFFAOYSA-N -1 0 344.390 2.859 20 30 EFEDRM C=C(Cn1c(CC)nnc1N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001588643586 983766560 /nfs/dbraw/zinc/76/65/60/983766560.db2.gz MYPXJRGWACCSAB-MRXNPFEDSA-N -1 0 340.427 2.855 20 30 EFEDRM C=C1CCC(C(=O)Nc2c(C(=O)[O-])nnn2Cc2ccccc2)CC1 ZINC001588649914 983770988 /nfs/dbraw/zinc/77/09/88/983770988.db2.gz LPUSYHJPOQJNFK-UHFFFAOYSA-N -1 0 340.383 2.710 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001588650129 983771956 /nfs/dbraw/zinc/77/19/56/983771956.db2.gz ZUOJAMHHFKAISR-UHFFFAOYSA-N -1 0 329.462 2.687 20 30 EFEDRM C=C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001588663040 983793155 /nfs/dbraw/zinc/79/31/55/983793155.db2.gz BQGXSTYCKZSEIB-SJORKVTESA-N -1 0 327.355 2.907 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1C[C@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664239 983799124 /nfs/dbraw/zinc/79/91/24/983799124.db2.gz OYWZSQWLSUSNIA-DZGCQCFKSA-N -1 0 346.427 2.829 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1C[C@@H](CNC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588664241 983799676 /nfs/dbraw/zinc/79/96/76/983799676.db2.gz OYWZSQWLSUSNIA-HIFRSBDPSA-N -1 0 346.427 2.829 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001588672916 983827874 /nfs/dbraw/zinc/82/78/74/983827874.db2.gz DQGAYQVEEWFQLX-CYBMUJFWSA-N -1 0 346.427 2.922 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588676777 983830742 /nfs/dbraw/zinc/83/07/42/983830742.db2.gz ASCOESCZZIUMQF-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001588677146 983833908 /nfs/dbraw/zinc/83/39/08/983833908.db2.gz UAHKPYWVUVQYPT-UHFFFAOYSA-N -1 0 325.430 2.964 20 30 EFEDRM C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588681318 983840052 /nfs/dbraw/zinc/84/00/52/983840052.db2.gz WJCAQAYRMLWRHB-UHFFFAOYSA-N -1 0 337.319 2.647 20 30 EFEDRM C=CC(C)(C)Cc1nnc(N(C)Cc2cc(C(=O)[O-])c(C)o2)n1C ZINC001588681593 983841041 /nfs/dbraw/zinc/84/10/41/983841041.db2.gz ZUDPLRCUAOECLM-UHFFFAOYSA-N -1 0 332.404 2.806 20 30 EFEDRM C=C[C@](C)(O)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588683821 983851548 /nfs/dbraw/zinc/85/15/48/983851548.db2.gz FMNIIPYIFKLFGF-PXNSSMCTSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@H](C)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588686629 983865771 /nfs/dbraw/zinc/86/57/71/983865771.db2.gz AGKCVJCISCUPBH-ZCFIWIBFSA-N -1 0 331.141 2.982 20 30 EFEDRM C=C[C@@H](C)ONC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588686820 983866514 /nfs/dbraw/zinc/86/65/14/983866514.db2.gz GHAZGIJIUBNDGF-DDTOSNHZSA-N -1 0 338.791 2.656 20 30 EFEDRM C=C[C@@H](C)ONC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588687643 983871262 /nfs/dbraw/zinc/87/12/62/983871262.db2.gz QSGCMWXLSPEHIR-CYBMUJFWSA-N -1 0 332.400 2.855 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001588690590 983875502 /nfs/dbraw/zinc/87/55/02/983875502.db2.gz DAXAVFAMHDWGBK-BPLDGKMQSA-N -1 0 346.431 2.616 20 30 EFEDRM C=C[C@@H](CC(=O)Nc1c(C(=O)[O-])c[nH]c1C(=O)OC)c1ccccc1 ZINC001588690833 983876721 /nfs/dbraw/zinc/87/67/21/983876721.db2.gz MIVPFLYUQRYWKH-NSHDSACASA-N -1 0 342.351 2.798 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001588690830 983877043 /nfs/dbraw/zinc/87/70/43/983877043.db2.gz MINQFOFSNRPAGT-SWLSCSKDSA-N -1 0 330.409 2.615 20 30 EFEDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C#N)s1 ZINC001596387346 983915668 /nfs/dbraw/zinc/91/56/68/983915668.db2.gz XGLZPGQFLUHWEY-UHFFFAOYSA-N -1 0 336.394 2.533 20 30 EFEDRM C=C[C@@H](Nc1cc(Br)ccc1OCCOC)C(=O)[O-] ZINC001588701985 983917660 /nfs/dbraw/zinc/91/76/60/983917660.db2.gz FKTGGMSLFVYTQC-SNVBAGLBSA-N -1 0 330.178 2.525 20 30 EFEDRM C=C[C@H](OC(=O)c1cc(C2CC2)nc2onc(CCC)c21)C(=O)[O-] ZINC001588713039 983947645 /nfs/dbraw/zinc/94/76/45/983947645.db2.gz QBEBHXQDEWQVEB-ZDUSSCGKSA-N -1 0 330.340 2.849 20 30 EFEDRM C=C[C@@H](OC(=O)c1cc(NC(=O)OCC)ccc1Cl)C(=O)[O-] ZINC001588713524 983949821 /nfs/dbraw/zinc/94/98/21/983949821.db2.gz XWPJRYNROQRFIQ-LLVKDONJSA-N -1 0 327.720 2.704 20 30 EFEDRM C=C[C@H](Sc1nnc(COc2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001588714292 983951361 /nfs/dbraw/zinc/95/13/61/983951361.db2.gz FGBJNGMPZJLFGM-ZDUSSCGKSA-N -1 0 333.413 2.917 20 30 EFEDRM C=C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)[O-] ZINC001588715046 983954576 /nfs/dbraw/zinc/95/45/76/983954576.db2.gz SNFAXICTOIWDLE-VIFPVBQESA-N -1 0 327.456 2.986 20 30 EFEDRM C=C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)[O-] ZINC001588715283 983954987 /nfs/dbraw/zinc/95/49/87/983954987.db2.gz UNKIDPLIQJJUJP-CQSZACIVSA-N -1 0 328.393 2.858 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CC1 ZINC001588719503 983960931 /nfs/dbraw/zinc/96/09/31/983960931.db2.gz AEBYCUQVNRREKL-UHFFFAOYSA-N -1 0 343.832 2.933 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001588719584 983961511 /nfs/dbraw/zinc/96/15/11/983961511.db2.gz WBQTWSWOXVQSOF-ZDUSSCGKSA-N -1 0 339.413 2.513 20 30 EFEDRM C=C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588719589 983961608 /nfs/dbraw/zinc/96/16/08/983961608.db2.gz WGESCFNOQCYBQT-LLVKDONJSA-N -1 0 334.441 2.914 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588719690 983962382 /nfs/dbraw/zinc/96/23/82/983962382.db2.gz WYQSKJJPJKCAMR-NSHDSACASA-N -1 0 329.805 2.767 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC001588728176 983980756 /nfs/dbraw/zinc/98/07/56/983980756.db2.gz IEUQIOQYSOVSTM-CYBMUJFWSA-N -1 0 344.333 2.995 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001588729397 983989575 /nfs/dbraw/zinc/98/95/75/983989575.db2.gz JVFZOEHIBGFGNX-CQSZACIVSA-N -1 0 344.436 2.688 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588736124 984023600 /nfs/dbraw/zinc/02/36/00/984023600.db2.gz SVJDJGRUDVVYMO-GFCCVEGCSA-N -1 0 337.445 2.633 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588736266 984023936 /nfs/dbraw/zinc/02/39/36/984023936.db2.gz FZFOMUOQGVYSEZ-UHFFFAOYSA-N -1 0 343.383 2.523 20 30 EFEDRM C=CCC(C)(C)CNC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC001588736473 984025478 /nfs/dbraw/zinc/02/54/78/984025478.db2.gz JYVJDQXSOCASIX-UHFFFAOYSA-N -1 0 335.400 2.881 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccncc1 ZINC001588742844 984034856 /nfs/dbraw/zinc/03/48/56/984034856.db2.gz LMQMJPJOIVVRSX-RKVPGOIHSA-N -1 0 329.400 2.738 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc(N)cc(Br)c1C)C(=O)[O-] ZINC001588757341 984102555 /nfs/dbraw/zinc/10/25/55/984102555.db2.gz YOCKMHMAJJINFV-NSHDSACASA-N -1 0 328.162 2.526 20 30 EFEDRM C=CC[C@H](OC(=O)c1cnc(Br)c(Cl)c1)C(=O)[O-] ZINC001588758466 984106189 /nfs/dbraw/zinc/10/61/89/984106189.db2.gz GSJHZGHRWGNZKQ-QMMMGPOBSA-N -1 0 334.553 2.684 20 30 EFEDRM C=CC[C@@H](Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)[O-] ZINC001588759137 984110297 /nfs/dbraw/zinc/11/02/97/984110297.db2.gz QBMZYCBCBNAXFQ-GFCCVEGCSA-N -1 0 336.369 2.875 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O)C(=O)[O-] ZINC001588759473 984111577 /nfs/dbraw/zinc/11/15/77/984111577.db2.gz UTOQDOPUWSOKQO-CQSZACIVSA-N -1 0 349.770 2.861 20 30 EFEDRM C=CC[C@@H](Sc1nnc2ccc(Br)cn21)C(=O)[O-] ZINC001588762727 984116718 /nfs/dbraw/zinc/11/67/18/984116718.db2.gz LTJRECOKXKGMMC-MRVPVSSYSA-N -1 0 328.191 2.613 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001588767187 984128647 /nfs/dbraw/zinc/12/86/47/984128647.db2.gz NTYMZNHWBAZUDR-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)CCCC1 ZINC001588768753 984130949 /nfs/dbraw/zinc/13/09/49/984130949.db2.gz DRHLGPHMNFHNOP-UHFFFAOYSA-N -1 0 341.404 3.000 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CCCC1 ZINC001588769189 984132842 /nfs/dbraw/zinc/13/28/42/984132842.db2.gz PDFINGZAMUFXDB-YFHOEESVSA-N -1 0 335.425 2.952 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588770688 984135737 /nfs/dbraw/zinc/13/57/37/984135737.db2.gz DCAXTYTZDOJDIR-QPSCCSFWSA-N -1 0 329.462 2.684 20 30 EFEDRM C=CC[C@H]1CCCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001588771412 984139677 /nfs/dbraw/zinc/13/96/77/984139677.db2.gz TZFPHVWMWLXUJQ-NSHDSACASA-N -1 0 338.433 2.765 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588771475 984140191 /nfs/dbraw/zinc/14/01/91/984140191.db2.gz VURGFPDJEPTQCK-RDBSUJKOSA-N -1 0 346.431 2.850 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC001588772374 984142392 /nfs/dbraw/zinc/14/23/92/984142392.db2.gz DQBFAQCDFZZXNP-LLVKDONJSA-N -1 0 327.377 2.501 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC001588772551 984143699 /nfs/dbraw/zinc/14/36/99/984143699.db2.gz IKFVSISAUMJUDZ-JTQLQIEISA-N -1 0 329.805 2.625 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001588778023 984158883 /nfs/dbraw/zinc/15/88/83/984158883.db2.gz PZPNMNIPNBGVFH-UHFFFAOYSA-N -1 0 345.392 2.556 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588778194 984159808 /nfs/dbraw/zinc/15/98/08/984159808.db2.gz XLRKVVONWNQRJC-UHFFFAOYSA-N -1 0 336.413 2.527 20 30 EFEDRM C=CCCC1(CN2C(=O)[C@@H]3C[C@@H](C(=O)[O-])CCN3C2=O)CCCC1 ZINC001588779025 984164180 /nfs/dbraw/zinc/16/41/80/984164180.db2.gz QPEQQQMTUCEQCS-KBPBESRZSA-N -1 0 334.416 2.640 20 30 EFEDRM C=CCC[C@H](O)CN(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588779346 984165170 /nfs/dbraw/zinc/16/51/70/984165170.db2.gz WQGSKTBBWNMJJZ-CABZTGNLSA-N -1 0 348.262 2.895 20 30 EFEDRM C=CCCC1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCCC1 ZINC001588782567 984172795 /nfs/dbraw/zinc/17/27/95/984172795.db2.gz WGFXOUWKZRZRIV-UHFFFAOYSA-N -1 0 329.462 2.687 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588782673 984174042 /nfs/dbraw/zinc/17/40/42/984174042.db2.gz YVUZTTVRDQJWAD-STQMWFEESA-N -1 0 332.404 2.556 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC001588786231 984183941 /nfs/dbraw/zinc/18/39/41/984183941.db2.gz NZWCIKRJEWQAAG-OLZOCXBDSA-N -1 0 327.421 2.526 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)cnc1F)C(=O)[O-] ZINC001588792350 984208671 /nfs/dbraw/zinc/20/86/71/984208671.db2.gz DPFWSFKWWIDTLT-SNVBAGLBSA-N -1 0 345.168 2.523 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2ccccc2c(OC)n1)C(=O)[O-] ZINC001588793240 984217003 /nfs/dbraw/zinc/21/70/03/984217003.db2.gz UWFNYCUGJUNHQE-AWEZNQCLSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1)C(=O)[O-] ZINC001588798111 984233411 /nfs/dbraw/zinc/23/34/11/984233411.db2.gz UGJGEEGZRIWHII-OAHLLOKOSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncoc1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588798149 984233628 /nfs/dbraw/zinc/23/36/28/984233628.db2.gz VPGFJYGYXFWZDL-CQSZACIVSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(C)cc2cccnc21)C(=O)[O-] ZINC001588798978 984239735 /nfs/dbraw/zinc/23/97/35/984239735.db2.gz WWTSPLPIFGNNLR-AWEZNQCLSA-N -1 0 348.424 2.631 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588801521 984246049 /nfs/dbraw/zinc/24/60/49/984246049.db2.gz NDEINQWZMZGURN-ZDUSSCGKSA-N -1 0 332.400 2.628 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588802179 984248200 /nfs/dbraw/zinc/24/82/00/984248200.db2.gz FNRHDDKAEHNNSI-UHFFFAOYSA-N -1 0 342.754 2.540 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588803660 984251370 /nfs/dbraw/zinc/25/13/70/984251370.db2.gz BHXLGGHDGHNENC-LLVKDONJSA-N -1 0 344.458 2.583 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588805515 984254236 /nfs/dbraw/zinc/25/42/36/984254236.db2.gz AOAWKHFTKJFZGF-CQSZACIVSA-N -1 0 325.430 2.724 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588807698 984261216 /nfs/dbraw/zinc/26/12/16/984261216.db2.gz SPSUOMQZUSDSRC-GJYPPUQNSA-N -1 0 344.411 2.959 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001588814633 984271428 /nfs/dbraw/zinc/27/14/28/984271428.db2.gz IYSHOSOQHQRHKO-XJKSGUPXSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001588814630 984271531 /nfs/dbraw/zinc/27/15/31/984271531.db2.gz IYSHOSOQHQRHKO-BBRMVZONSA-N -1 0 337.441 2.679 20 30 EFEDRM C=CCN(C(=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CC1 ZINC001588820148 984282421 /nfs/dbraw/zinc/28/24/21/984282421.db2.gz SNUISMOPRWLREP-UHFFFAOYSA-N -1 0 344.392 2.715 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)SCc1nc(C(=O)[O-])cs1 ZINC001588825400 984300580 /nfs/dbraw/zinc/30/05/80/984300580.db2.gz OSOKULJCTMIKIF-SNVBAGLBSA-N -1 0 326.443 2.664 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588826746 984306350 /nfs/dbraw/zinc/30/63/50/984306350.db2.gz UPMWFFQNPOLLLC-NSHDSACASA-N -1 0 335.335 2.611 20 30 EFEDRM C=CCN(Cc1snc(OC)c1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588832361 984321509 /nfs/dbraw/zinc/32/15/09/984321509.db2.gz GANWHQSDDQINFA-UHFFFAOYSA-N -1 0 343.408 2.910 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(C(=O)[O-])n1 ZINC001588832548 984323440 /nfs/dbraw/zinc/32/34/40/984323440.db2.gz JCQSQBXBFDMCPG-UHFFFAOYSA-N -1 0 332.381 2.678 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588832698 984325168 /nfs/dbraw/zinc/32/51/68/984325168.db2.gz NCSDEEVVYCATAB-CABCVRRESA-N -1 0 332.400 2.646 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2ccc(Cl)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588832678 984325391 /nfs/dbraw/zinc/32/53/91/984325391.db2.gz VNFAQNOUTCBPQT-CQSZACIVSA-N -1 0 336.775 2.960 20 30 EFEDRM C=CCNC(=O)COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC001588844503 984358393 /nfs/dbraw/zinc/35/83/93/984358393.db2.gz JLYONSNYNIDVQJ-UHFFFAOYSA-N -1 0 339.347 2.511 20 30 EFEDRM C=CCNc1nnc(SCC(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001588849151 984369217 /nfs/dbraw/zinc/36/92/17/984369217.db2.gz ATOSGSZTACRLML-UHFFFAOYSA-N -1 0 335.410 2.809 20 30 EFEDRM C=CCO[C@@H]1CCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001588850032 984377424 /nfs/dbraw/zinc/37/74/24/984377424.db2.gz UIFYFOOXQABIFV-SECBINFHSA-N -1 0 330.178 2.517 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588856460 984400503 /nfs/dbraw/zinc/40/05/03/984400503.db2.gz ZTXPMRKGZNQOFJ-GWCFXTLKSA-N -1 0 345.317 2.581 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1C)C(=O)[O-] ZINC001588859176 984403873 /nfs/dbraw/zinc/40/38/73/984403873.db2.gz BZFWDHXMGVNRSC-NSHDSACASA-N -1 0 349.280 2.539 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001588859405 984405331 /nfs/dbraw/zinc/40/53/31/984405331.db2.gz KPLGSCFOBMQKCT-INIZCTEOSA-N -1 0 344.411 2.851 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588860017 984410281 /nfs/dbraw/zinc/41/02/81/984410281.db2.gz GBCPDTFNIBSSAZ-CYBMUJFWSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(Cl)c(CCC)c1)C(=O)[O-] ZINC001588862140 984417549 /nfs/dbraw/zinc/41/75/49/984417549.db2.gz QUSPKFZHOYDCBO-AWEZNQCLSA-N -1 0 325.792 2.678 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC001588862364 984418474 /nfs/dbraw/zinc/41/84/74/984418474.db2.gz WKLFNPKFFDDQGU-KRWDZBQOSA-N -1 0 340.379 2.816 20 30 EFEDRM C=CCONC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001588868592 984433827 /nfs/dbraw/zinc/43/38/27/984433827.db2.gz LYGSYWYFVGQSDX-UHFFFAOYSA-N -1 0 343.383 2.873 20 30 EFEDRM C=CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588869592 984439828 /nfs/dbraw/zinc/43/98/28/984439828.db2.gz NUYTZZRUSPMXKE-QGZVFWFLSA-N -1 0 343.354 2.989 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588869733 984440779 /nfs/dbraw/zinc/44/07/79/984440779.db2.gz XNYMGEZRFQCBJU-UHFFFAOYSA-N -1 0 328.324 2.606 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC001588869760 984440883 /nfs/dbraw/zinc/44/08/83/984440883.db2.gz YHSAAFJYNOOYJW-INIZCTEOSA-N -1 0 326.352 2.592 20 30 EFEDRM C=CCOc1cccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC001588872895 984443258 /nfs/dbraw/zinc/44/32/58/984443258.db2.gz RLJJWLJASOGGCQ-UHFFFAOYSA-N -1 0 340.379 2.678 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001588873971 984446591 /nfs/dbraw/zinc/44/65/91/984446591.db2.gz PLWGGSGBUCUXEC-SJORKVTESA-N -1 0 331.412 2.944 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC001588874094 984447605 /nfs/dbraw/zinc/44/76/05/984447605.db2.gz WKTIFCVDORPWSN-UHFFFAOYSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588877469 984453431 /nfs/dbraw/zinc/45/34/31/984453431.db2.gz RGASQZNFTHCKLD-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588879004 984456067 /nfs/dbraw/zinc/45/60/67/984456067.db2.gz QLWGPPAORPFKSD-HNNXBMFYSA-N -1 0 345.326 2.638 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001588878917 984456194 /nfs/dbraw/zinc/45/61/94/984456194.db2.gz OAANCXKZVGMWDC-UHFFFAOYSA-N -1 0 349.289 2.980 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](F)C(F)(F)F ZINC001588881588 984460676 /nfs/dbraw/zinc/46/06/76/984460676.db2.gz BGTUMHQMIOJKEW-NSHDSACASA-N -1 0 336.237 2.928 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCCN1C(C)C ZINC001588882484 984463492 /nfs/dbraw/zinc/46/34/92/984463492.db2.gz VWTYIPPRTRSAQP-OAHLLOKOSA-N -1 0 347.411 2.900 20 30 EFEDRM C=CCc1ccc(OCC(=O)N([C@H](C)C(=O)[O-])C2CCC2)c(OC)c1 ZINC001588885139 984465835 /nfs/dbraw/zinc/46/58/35/984465835.db2.gz CEWFQMNHVOPNIW-CYBMUJFWSA-N -1 0 347.411 2.657 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588886141 984471121 /nfs/dbraw/zinc/47/11/21/984471121.db2.gz ARLXXGYIADCRCY-MRXNPFEDSA-N -1 0 332.429 2.802 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588887010 984474784 /nfs/dbraw/zinc/47/47/84/984474784.db2.gz XWJVXWUXBOELLW-OAHLLOKOSA-N -1 0 336.392 2.504 20 30 EFEDRM C=CCn1c(-c2cc(C)cs2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588887009 984474828 /nfs/dbraw/zinc/47/48/28/984474828.db2.gz XWJVXWUXBOELLW-HNNXBMFYSA-N -1 0 336.392 2.504 20 30 EFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588888753 984475397 /nfs/dbraw/zinc/47/53/97/984475397.db2.gz CDBWDCMARNZXIW-UHFFFAOYSA-N -1 0 341.371 2.695 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588888881 984476298 /nfs/dbraw/zinc/47/62/98/984476298.db2.gz HJJKINFBZAQGDC-SFHVURJKSA-N -1 0 344.390 2.697 20 30 EFEDRM C=CCn1c(-c2cnoc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588889823 984481999 /nfs/dbraw/zinc/48/19/99/984481999.db2.gz FEGHOKSMOMOXJG-ZDUSSCGKSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c(-c2ccsc2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588890249 984485397 /nfs/dbraw/zinc/48/53/97/984485397.db2.gz UWOFVZYTVOCNDM-UONOGXRCSA-N -1 0 344.440 2.740 20 30 EFEDRM C=CCn1c([C@@H](CC)OCC)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895559 984494505 /nfs/dbraw/zinc/49/45/05/984494505.db2.gz INEWJOPFXRGHKV-DYVFJYSZSA-N -1 0 336.436 2.643 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588896411 984501551 /nfs/dbraw/zinc/50/15/51/984501551.db2.gz CGKHJBKEWDAXHO-MKBNYLNASA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c([C@H]2C[C@H]2C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896479 984502049 /nfs/dbraw/zinc/50/20/49/984502049.db2.gz KBLYYPRTEGBMGY-MFKMUULPSA-N -1 0 330.388 2.824 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588897188 984508161 /nfs/dbraw/zinc/50/81/61/984508161.db2.gz XUCVBBGVGPTZHT-NSHDSACASA-N -1 0 347.444 2.736 20 30 EFEDRM C=CCn1c(CSC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588900251 984520391 /nfs/dbraw/zinc/52/03/91/984520391.db2.gz DGVAWBGUNBXUTH-UHFFFAOYSA-N -1 0 338.477 2.797 20 30 EFEDRM C=CCn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001588905013 984534974 /nfs/dbraw/zinc/53/49/74/984534974.db2.gz MDBVRBXNYQETOH-ZIAGYGMSSA-N -1 0 345.447 2.592 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cc2n1 ZINC001588908961 984541288 /nfs/dbraw/zinc/54/12/88/984541288.db2.gz BXMKNSQDDUIUFT-SGTLLEGYSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NC[C@H](CC3CC3)C(=O)[O-])cc2n1 ZINC001588909331 984543620 /nfs/dbraw/zinc/54/36/20/984543620.db2.gz PQMFDLPWVFVWLL-AWEZNQCLSA-N -1 0 342.399 2.845 20 30 EFEDRM C=CCn1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])nn1 ZINC001588909460 984544710 /nfs/dbraw/zinc/54/47/10/984544710.db2.gz VMQRPWBSKILUBY-UHFFFAOYSA-N -1 0 334.401 2.774 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])cc2n1 ZINC001588909505 984544797 /nfs/dbraw/zinc/54/47/97/984544797.db2.gz XBVVWPVIBPOQKY-SWLSCSKDSA-N -1 0 342.399 2.987 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001588916235 984558949 /nfs/dbraw/zinc/55/89/49/984558949.db2.gz BEHVLRHMHPDWOV-YIYSPXCVSA-N -1 0 329.396 2.571 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588916462 984561094 /nfs/dbraw/zinc/56/10/94/984561094.db2.gz NLQIMBLGOQLING-PWSUYJOCSA-N -1 0 341.310 2.558 20 30 EFEDRM C/C(=C\COc1cc(C#N)ccc1I)C(=O)[O-] ZINC001588991370 984915357 /nfs/dbraw/zinc/91/53/57/984915357.db2.gz UWEWJKLIFYNGOR-XBXARRHUSA-N -1 0 343.120 2.573 20 30 EFEDRM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ncc(C(=O)[O-])s1 ZINC001589016848 984998412 /nfs/dbraw/zinc/99/84/12/984998412.db2.gz MLMIFLBBZXJTMF-WCBMZHEXSA-N -1 0 340.474 2.608 20 30 EFEDRM CC(N=Nc1cc(C(=O)[O-])ccc1Br)[C@H]1CCOC1 ZINC001589017059 985000926 /nfs/dbraw/zinc/00/09/26/985000926.db2.gz VBXRWZAAGXQETN-JTQLQIEISA-N -1 0 327.178 2.972 20 30 EFEDRM CC(=NOCc1cc(CO)ccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001589021895 985015195 /nfs/dbraw/zinc/01/51/95/985015195.db2.gz YQYCDFLWGXYSSP-UHFFFAOYSA-N -1 0 347.342 2.722 20 30 EFEDRM CCOC(=O)c1nnc(SCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001596754927 985118972 /nfs/dbraw/zinc/11/89/72/985118972.db2.gz BSTQQUYFGJWPTF-UHFFFAOYSA-N -1 0 349.393 2.577 20 30 EFEDRM C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@]1(C)C(=O)[O-] ZINC001599922178 985149588 /nfs/dbraw/zinc/14/95/88/985149588.db2.gz YLFBPVXNQFEEQK-GTNSWQLSSA-N -1 0 332.404 2.689 20 30 EFEDRM C[C@](NC(=O)c1cc(C#N)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589114631 985362094 /nfs/dbraw/zinc/36/20/94/985362094.db2.gz BYCDUAJECIHXTN-QGZVFWFLSA-N -1 0 328.755 2.941 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599942607 985473264 /nfs/dbraw/zinc/47/32/64/985473264.db2.gz QDHLSUGYXSKMOT-KRWDZBQOSA-N -1 0 345.786 2.664 20 30 EFEDRM Cc1[nH]c(C(=O)CN(CCC#N)Cc2ccco2)c(C)c1C(=O)[O-] ZINC001599943930 985491004 /nfs/dbraw/zinc/49/10/04/985491004.db2.gz HOGXHMBENVJHLQ-UHFFFAOYSA-N -1 0 329.356 2.521 20 30 EFEDRM Cc1[nH]c(C(=O)CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599946688 985538506 /nfs/dbraw/zinc/53/85/06/985538506.db2.gz DNHSACWZUJPMPB-NSHDSACASA-N -1 0 325.368 2.735 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)c(C)c1C(=O)[O-] ZINC001599948890 985575393 /nfs/dbraw/zinc/57/53/93/985575393.db2.gz TUOVZVCXXOFFTA-SNVBAGLBSA-N -1 0 329.381 2.960 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)O[C@H](C#N)C2CCCCC2)c(C(=O)[O-])c1C ZINC001589248375 985855473 /nfs/dbraw/zinc/85/54/73/985855473.db2.gz RAQFFFYKCUCRPJ-CQSZACIVSA-N -1 0 346.383 2.782 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001589253713 985877499 /nfs/dbraw/zinc/87/74/99/985877499.db2.gz OYNAMQTTZBTTOJ-UHFFFAOYSA-N -1 0 326.352 2.734 20 30 EFEDRM C[C@](C#N)(NC(=O)CNc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001589324239 986155212 /nfs/dbraw/zinc/15/52/12/986155212.db2.gz YXCATMPJDGBDLV-QGZVFWFLSA-N -1 0 343.408 2.820 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589334476 986202470 /nfs/dbraw/zinc/20/24/70/986202470.db2.gz FCWJGNSUBKTJIY-DJYGCBNOSA-N -1 0 326.308 2.921 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001597055961 986538259 /nfs/dbraw/zinc/53/82/59/986538259.db2.gz NFHFOAZYHVDWHE-KRWDZBQOSA-N -1 0 331.372 2.722 20 30 EFEDRM CCOc1ccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1F ZINC001597081962 986628664 /nfs/dbraw/zinc/62/86/64/986628664.db2.gz SEXIHYBCSPQYEC-YRNVUSSQSA-N -1 0 330.315 2.789 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001597105188 986733979 /nfs/dbraw/zinc/73/39/79/986733979.db2.gz BWUSZLWLBQVIQG-UHFFFAOYSA-N -1 0 328.324 2.937 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001597106760 986749955 /nfs/dbraw/zinc/74/99/55/986749955.db2.gz ULMZEGSWJIQOAB-UHFFFAOYSA-N -1 0 327.340 2.672 20 30 EFEDRM CCOc1ccc(NC(=O)Cc2cccc(C#N)c2)c(C(=O)[O-])c1F ZINC001597117661 986794471 /nfs/dbraw/zinc/79/44/71/986794471.db2.gz MEDFAVSIFOMUGF-UHFFFAOYSA-N -1 0 342.326 2.975 20 30 EFEDRM C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445858 986816995 /nfs/dbraw/zinc/81/69/95/986816995.db2.gz XZHXSAIXEZLEAR-CYBMUJFWSA-N -1 0 349.390 2.642 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)c1ccccc1 ZINC001589461203 986909934 /nfs/dbraw/zinc/90/99/34/986909934.db2.gz BLBXMKRWBFCNFB-HZMBPMFUSA-N -1 0 343.770 2.798 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589469804 986947830 /nfs/dbraw/zinc/94/78/30/986947830.db2.gz YWQSPXMWILHLQD-NSHDSACASA-N -1 0 339.313 2.911 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC001589533259 987224723 /nfs/dbraw/zinc/22/47/23/987224723.db2.gz LCHPKXKNBBOXSH-LLVKDONJSA-N -1 0 327.344 2.629 20 30 EFEDRM CC(C)(C#N)CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001589554661 987302059 /nfs/dbraw/zinc/30/20/59/987302059.db2.gz KAWACYISIYHJGX-AWEZNQCLSA-N -1 0 329.400 2.654 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589554626 987302223 /nfs/dbraw/zinc/30/22/23/987302223.db2.gz GZDFGYZITRZAFA-UHFFFAOYSA-N -1 0 348.783 2.859 20 30 EFEDRM CC(C)(C(=O)N1CCC(CC(=O)[O-])CC1)c1cc(F)cc(C#N)c1 ZINC001589560456 987313680 /nfs/dbraw/zinc/31/36/80/987313680.db2.gz DGOBUFZNZCUIFC-UHFFFAOYSA-N -1 0 332.375 2.688 20 30 EFEDRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001589571858 987342411 /nfs/dbraw/zinc/34/24/11/987342411.db2.gz BYRBVCVIVLKZGW-UHFFFAOYSA-N -1 0 328.393 2.912 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC001589636276 987552629 /nfs/dbraw/zinc/55/26/29/987552629.db2.gz LDKBFURHVXYVSJ-MRXNPFEDSA-N -1 0 344.411 2.743 20 30 EFEDRM CCc1[nH]c(CN=Nc2ccc(C(F)(F)F)nn2)cc1C(=O)[O-] ZINC001597380481 987575487 /nfs/dbraw/zinc/57/54/87/987575487.db2.gz MSYIFZKVFSJASU-UHFFFAOYSA-N -1 0 327.266 2.530 20 30 EFEDRM CCc1[nH]c(CN2CCN(c3ccsc3C#N)CC2)cc1C(=O)[O-] ZINC001597386210 987601767 /nfs/dbraw/zinc/60/17/67/987601767.db2.gz FUGFFIVTDDUBHW-UHFFFAOYSA-N -1 0 344.440 2.531 20 30 EFEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)COc2ccccc2C#N)c1 ZINC001589651366 987603300 /nfs/dbraw/zinc/60/33/00/987603300.db2.gz ZDLAERLZSQEHTN-UHFFFAOYSA-N -1 0 339.347 2.905 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)cn1 ZINC001589663834 987641608 /nfs/dbraw/zinc/64/16/08/987641608.db2.gz MYTZEDBCRNOOPF-CQSZACIVSA-N -1 0 340.383 2.729 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])n1)c1cc(F)cc(C#N)c1 ZINC001589681692 987714174 /nfs/dbraw/zinc/71/41/74/987714174.db2.gz ZWDCVCHAOIUEKR-UHFFFAOYSA-N -1 0 342.326 2.812 20 30 EFEDRM CCc1ccc(C#CC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001597495380 988042611 /nfs/dbraw/zinc/04/26/11/988042611.db2.gz URTNCFXFIYJYJU-UHFFFAOYSA-N -1 0 337.375 2.624 20 30 EFEDRM CC(C)(C)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)[O-] ZINC001589752128 988061003 /nfs/dbraw/zinc/06/10/03/988061003.db2.gz XECOYMDWHOECOL-CQSZACIVSA-N -1 0 341.367 2.832 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001597509139 988090530 /nfs/dbraw/zinc/09/05/30/988090530.db2.gz YNMHMJRSPLKOBR-BBWFWOEESA-N -1 0 344.411 2.542 20 30 EFEDRM CSc1ccc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001599812806 988367731 /nfs/dbraw/zinc/36/77/31/988367731.db2.gz GXOUHERQGPEBKG-UHFFFAOYSA-N -1 0 340.404 2.837 20 30 EFEDRM CSc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001599815916 988423460 /nfs/dbraw/zinc/42/34/60/988423460.db2.gz ISNJBUJLVNIFPB-OAHLLOKOSA-N -1 0 342.376 2.650 20 30 EFEDRM CCc1nc(C)c(CON=C(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001597662009 988734205 /nfs/dbraw/zinc/73/42/05/988734205.db2.gz ZWJQRMOFNPRCKH-UHFFFAOYSA-N -1 0 332.356 2.950 20 30 EFEDRM C[C@@H]1CN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC(=O)[O-] ZINC001599848278 988969765 /nfs/dbraw/zinc/96/97/65/988969765.db2.gz ZCEFYZMGCAMPTQ-DGCLKSJQSA-N -1 0 339.313 2.626 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC001597763575 989208808 /nfs/dbraw/zinc/20/88/08/989208808.db2.gz ZKEFHJHRZQLAOG-UHFFFAOYSA-N -1 0 339.395 2.993 20 30 EFEDRM CCc1oc(C=NNc2ccc3c(cc[nH]c3=O)c2)cc1C(=O)[O-] ZINC001597793004 989339892 /nfs/dbraw/zinc/33/98/92/989339892.db2.gz PUCRPIAZCAHRSQ-UHFFFAOYSA-N -1 0 325.324 2.828 20 30 EFEDRM CCc1oc(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798676 989369987 /nfs/dbraw/zinc/36/99/87/989369987.db2.gz HVADVJDLECZEOC-GOSISDBHSA-N -1 0 340.379 2.985 20 30 EFEDRM CCc1oc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798678 989371467 /nfs/dbraw/zinc/37/14/67/989371467.db2.gz HVADVJDLECZEOC-SFHVURJKSA-N -1 0 340.379 2.985 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC001599880434 989476353 /nfs/dbraw/zinc/47/63/53/989476353.db2.gz NJBXDUDQFSRNQR-BMIGLBTASA-N -1 0 326.377 2.912 20 30 EFEDRM CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001597839411 989529921 /nfs/dbraw/zinc/52/99/21/989529921.db2.gz ADRFWNNUOVKIMA-ZIAGYGMSSA-N -1 0 333.436 2.786 20 30 EFEDRM CCn1c(CCCCC#N)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597850575 989590283 /nfs/dbraw/zinc/59/02/83/989590283.db2.gz PNJFYTZTTMYJDB-UHFFFAOYSA-N -1 0 341.415 2.869 20 30 EFEDRM CC(C)(C)c1ccc(C#N)c(OCC(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001590472671 990045611 /nfs/dbraw/zinc/04/56/11/990045611.db2.gz UTVUCBGSXSJYOE-UHFFFAOYSA-N -1 0 328.324 2.804 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001590536500 990147321 /nfs/dbraw/zinc/14/73/21/990147321.db2.gz BCBDVIPKFRPRPH-UHFFFAOYSA-N -1 0 326.352 2.614 20 30 EFEDRM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1nc(CC(=O)[O-])cs1 ZINC001598007688 990167600 /nfs/dbraw/zinc/16/76/00/990167600.db2.gz MGESIDYUDYUZRX-ZDUSSCGKSA-N -1 0 343.408 2.821 20 30 EFEDRM CC(C)(C)c1ncc(/C=C\C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001590550665 990189188 /nfs/dbraw/zinc/18/91/88/990189188.db2.gz KWSCZOWFFVBNPN-PLNGDYQASA-N -1 0 347.440 2.671 20 30 EFEDRM CN(C(=O)COc1ccc(C#N)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC001598031788 990252944 /nfs/dbraw/zinc/25/29/44/990252944.db2.gz XXHOVOZPSJWHTO-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C(C)(C)CC(=O)[O-] ZINC001598072592 990371325 /nfs/dbraw/zinc/37/13/25/990371325.db2.gz AEJCHINDWVJZRQ-UHFFFAOYSA-N -1 0 327.340 2.539 20 30 EFEDRM CN(C(=O)c1cccc(C#N)c1Br)C(C)(C)CC(=O)[O-] ZINC001598089433 990431155 /nfs/dbraw/zinc/43/11/55/990431155.db2.gz UYWZIMSLLDTWDG-UHFFFAOYSA-N -1 0 339.189 2.646 20 30 EFEDRM CC(C)(CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(F)c1 ZINC001590716159 990475194 /nfs/dbraw/zinc/47/51/94/990475194.db2.gz OMAJGKXYUHNAIQ-UHFFFAOYSA-N -1 0 347.390 2.503 20 30 EFEDRM CC(C)(CNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001590723882 990506832 /nfs/dbraw/zinc/50/68/32/990506832.db2.gz KKSONGOYPROPLR-LLVKDONJSA-N -1 0 343.305 2.572 20 30 EFEDRM CC(C)(NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cccc(C#N)c1 ZINC001590854601 990734349 /nfs/dbraw/zinc/73/43/49/990734349.db2.gz BVCROOHSHGBSJF-DZGCQCFKSA-N -1 0 329.400 2.736 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001590904784 990867118 /nfs/dbraw/zinc/86/71/18/990867118.db2.gz NQAVCFYNIFMEMF-UHFFFAOYSA-N -1 0 340.335 2.552 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001598287552 991189288 /nfs/dbraw/zinc/18/92/88/991189288.db2.gz IIZKAQKJJCNOKB-MRXNPFEDSA-N -1 0 343.427 2.635 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)c1 ZINC001598288099 991193006 /nfs/dbraw/zinc/19/30/06/991193006.db2.gz PBNNXGPKQLMDDP-UHFFFAOYSA-N -1 0 342.326 2.610 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC001598300470 991244114 /nfs/dbraw/zinc/24/41/14/991244114.db2.gz LJBYIDWBHBIKRN-UHFFFAOYSA-N -1 0 327.315 2.714 20 30 EFEDRM CN(C)c1cc(OCc2cccc(C(=O)[O-])c2C#N)cc(N(C)C)c1 ZINC001598307715 991276886 /nfs/dbraw/zinc/27/68/86/991276886.db2.gz HHTVXDBCKYUGBN-UHFFFAOYSA-N -1 0 339.395 2.967 20 30 EFEDRM CC(C)[C@@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001591047016 991439237 /nfs/dbraw/zinc/43/92/37/991439237.db2.gz JGPJPCPOEWCHIL-MRXNPFEDSA-N -1 0 343.335 2.996 20 30 EFEDRM COc1ccccc1OC[C@@H](C)CNc1ccc(C(=O)[O-])nc1C#N ZINC001599716727 991468855 /nfs/dbraw/zinc/46/88/55/991468855.db2.gz ICSHPOOVFPWBSE-LBPRGKRZSA-N -1 0 341.367 2.787 20 30 EFEDRM CN(C)c1ncccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598358687 991478940 /nfs/dbraw/zinc/47/89/40/991478940.db2.gz IUXFJFIUBAPHID-YFHOEESVSA-N -1 0 326.352 2.507 20 30 EFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001598419086 991750739 /nfs/dbraw/zinc/75/07/39/991750739.db2.gz BMMOPVBOBQIPDD-UHFFFAOYSA-N -1 0 346.408 2.708 20 30 EFEDRM CN(CCC#N)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001598468549 991988148 /nfs/dbraw/zinc/98/81/48/991988148.db2.gz PAEFWDJRFVADCZ-UHFFFAOYSA-N -1 0 326.150 2.525 20 30 EFEDRM CC(C)CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001591245335 992134901 /nfs/dbraw/zinc/13/49/01/992134901.db2.gz OGODJECRYWCCBK-UHFFFAOYSA-N -1 0 348.808 2.582 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC001591310390 992271986 /nfs/dbraw/zinc/27/19/86/992271986.db2.gz XQNPFAQEXJQUFS-AWEZNQCLSA-N -1 0 346.427 2.921 20 30 EFEDRM CC(C)CN(CCC#N)CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001591322321 992294276 /nfs/dbraw/zinc/29/42/76/992294276.db2.gz XWNVFBXEXHQSDO-UHFFFAOYSA-N -1 0 327.384 2.920 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001591342840 992322674 /nfs/dbraw/zinc/32/26/74/992322674.db2.gz NBNYXJFYQLVUMN-UHFFFAOYSA-N -1 0 343.427 2.979 20 30 EFEDRM CS(C)(=O)=Nc1cccc(Nc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599779849 992349855 /nfs/dbraw/zinc/34/98/55/992349855.db2.gz LQRWUFMSEIKSGV-UHFFFAOYSA-N -1 0 330.369 2.754 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001591507550 992659380 /nfs/dbraw/zinc/65/93/80/992659380.db2.gz GSGRSFNASJXKBW-CXAGYDPISA-N -1 0 333.436 2.642 20 30 EFEDRM CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507768 992659918 /nfs/dbraw/zinc/65/99/18/992659918.db2.gz HYDNUQSWKUXSNR-GJZGRUSLSA-N -1 0 345.447 2.642 20 30 EFEDRM CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507767 992659965 /nfs/dbraw/zinc/65/99/65/992659965.db2.gz HYDNUQSWKUXSNR-CABCVRRESA-N -1 0 345.447 2.642 20 30 EFEDRM CC(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001591516357 992682400 /nfs/dbraw/zinc/68/24/00/992682400.db2.gz QTJFHMPQGAOYKD-AWEZNQCLSA-N -1 0 345.447 2.570 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1c(C#N)cccc1[N+](=O)[O-] ZINC001598524334 992699618 /nfs/dbraw/zinc/69/96/18/992699618.db2.gz YHOFQWVOSJWSKN-UHFFFAOYSA-N -1 0 341.323 2.566 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001591596390 992821915 /nfs/dbraw/zinc/82/19/15/992821915.db2.gz ABGRTUMSBBUBII-DLBZAZTESA-N -1 0 344.411 2.565 20 30 EFEDRM CN1C(=O)CCc2cc(/C=C/C(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC001598551452 993008221 /nfs/dbraw/zinc/00/82/21/993008221.db2.gz CKYHJGUPSLBDGL-ZZXKWVIFSA-N -1 0 325.320 2.783 20 30 EFEDRM C[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC001593079472 993648008 /nfs/dbraw/zinc/64/80/08/993648008.db2.gz UGYAJJVWGDLBPS-ZJUUUORDSA-N -1 0 344.396 2.834 20 30 EFEDRM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1C#N ZINC001599591833 993693960 /nfs/dbraw/zinc/69/39/60/993693960.db2.gz NXRLYLORMVUBMU-UHFFFAOYSA-N -1 0 349.346 2.858 20 30 EFEDRM COc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001599591870 993695260 /nfs/dbraw/zinc/69/52/60/993695260.db2.gz LMTFNOLPRJNNMK-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1C#N ZINC001599593122 993714228 /nfs/dbraw/zinc/71/42/28/993714228.db2.gz TZNQPFMLUKZLIT-CQSZACIVSA-N -1 0 331.372 2.722 20 30 EFEDRM COc1ccc(N=C2NN=C(c3cccc(C(=O)[O-])c3)CS2)cn1 ZINC001599596842 993759545 /nfs/dbraw/zinc/75/95/45/993759545.db2.gz ANLOSKBAEZCHIU-UHFFFAOYSA-N -1 0 342.380 2.517 20 30 EFEDRM C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593112700 993789081 /nfs/dbraw/zinc/78/90/81/993789081.db2.gz PSOMCPGYTBZNMF-ZETCQYMHSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593156382 993974674 /nfs/dbraw/zinc/97/46/74/993974674.db2.gz JMASNTHUGQHMLR-LLVKDONJSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1ccc2[nH]cc(CCNc3ccc(C(=O)[O-])nc3C#N)c2c1 ZINC001599622908 994108522 /nfs/dbraw/zinc/10/85/22/994108522.db2.gz ANPPOWPXUGANHS-UHFFFAOYSA-N -1 0 336.351 2.796 20 30 EFEDRM C[C@@H](NC(=S)NN=Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001593190401 994120900 /nfs/dbraw/zinc/12/09/00/994120900.db2.gz NDGXRNBYYQUGSV-MRVPVSSYSA-N -1 0 325.821 2.635 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc(C(=O)[O-])n(C)c1)CCO2 ZINC001599624921 994134573 /nfs/dbraw/zinc/13/45/73/994134573.db2.gz DIJGEOBJSCYWMP-KPKJPENVSA-N -1 0 327.336 2.781 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CCC[C@](C)(C(=O)[O-])C3)c2c1 ZINC001599634826 994271955 /nfs/dbraw/zinc/27/19/55/994271955.db2.gz HXDXZLRAFVCUQJ-SFHVURJKSA-N -1 0 325.368 2.806 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C#Cc2cccs2)c1 ZINC001599648751 994463034 /nfs/dbraw/zinc/46/30/34/994463034.db2.gz CYGWIWMDIGKICR-SFHVURJKSA-N -1 0 343.404 2.615 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc(CC#N)c2)c1 ZINC001599650164 994485701 /nfs/dbraw/zinc/48/57/01/994485701.db2.gz SXRCWTYSLNXBKW-KRWDZBQOSA-N -1 0 338.363 2.659 20 30 EFEDRM C[C@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292329 994675975 /nfs/dbraw/zinc/67/59/75/994675975.db2.gz KIUATZSGPJJKPZ-QGZVFWFLSA-N -1 0 343.314 2.695 20 30 EFEDRM COc1cccc([C@H](OC(=O)Cc2ccccc2CC#N)C(=O)[O-])c1 ZINC001599662912 994683040 /nfs/dbraw/zinc/68/30/40/994683040.db2.gz VPXLBKYSHXKTRL-SFHVURJKSA-N -1 0 339.347 2.673 20 30 EFEDRM CNc1ccc(C#N)cc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598677791 994874793 /nfs/dbraw/zinc/87/47/93/994874793.db2.gz FHHPXWGTKGKEKS-LIRRHRJNSA-N -1 0 335.363 2.797 20 30 EFEDRM COc1cccc(O[C@H](C)CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599682823 995009897 /nfs/dbraw/zinc/00/98/97/995009897.db2.gz IJIULNLSUOLTEU-LLVKDONJSA-N -1 0 327.340 2.539 20 30 EFEDRM C[C@](O)(CC(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001593386236 995100874 /nfs/dbraw/zinc/10/08/74/995100874.db2.gz HKKWCKJKPBQKOU-IBGZPJMESA-N -1 0 339.347 2.597 20 30 EFEDRM COC(=O)[C@@H](NCc1ccc(C)c(C#N)c1)c1cccc(C(=O)[O-])c1 ZINC001598709556 995331733 /nfs/dbraw/zinc/33/17/33/995331733.db2.gz PFOSAZTUHSEERD-KRWDZBQOSA-N -1 0 338.363 2.569 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593612738 995817381 /nfs/dbraw/zinc/81/73/81/995817381.db2.gz ZELUKKBRIKGULS-ORAYPTAESA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593641260 995950362 /nfs/dbraw/zinc/95/03/62/995950362.db2.gz BSPZOFHAPKBOIO-GFCCVEGCSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)NOc1cccc(C#N)c1)C(=O)[O-] ZINC001593672088 996073597 /nfs/dbraw/zinc/07/35/97/996073597.db2.gz GISQRKCJLWCVMA-LLVKDONJSA-N -1 0 342.376 2.847 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001593699247 996169165 /nfs/dbraw/zinc/16/91/65/996169165.db2.gz RLHNOBQUBCRWIL-ZDUSSCGKSA-N -1 0 337.379 2.888 20 30 EFEDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C#CC1CC1 ZINC001593716929 996233050 /nfs/dbraw/zinc/23/30/50/996233050.db2.gz FMCIRIXFLRNVPG-ZDUSSCGKSA-N -1 0 338.363 2.876 20 30 EFEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C#CC1CC1 ZINC001593716928 996233053 /nfs/dbraw/zinc/23/30/53/996233053.db2.gz FMCIRIXFLRNVPG-CYBMUJFWSA-N -1 0 338.363 2.876 20 30 EFEDRM C[C@H](c1nc(C(=O)[O-])co1)N1CCCN(c2ccccc2C#N)CC1 ZINC001593728100 996287531 /nfs/dbraw/zinc/28/75/31/996287531.db2.gz AZVJWBLYMRUXBO-CYBMUJFWSA-N -1 0 340.383 2.518 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCN(c2ccccc2C#N)CC1 ZINC001593736864 996330731 /nfs/dbraw/zinc/33/07/31/996330731.db2.gz IMQGGRFGZGVKGF-GFCCVEGCSA-N -1 0 342.424 2.596 20 30 EFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN(c2ccccc2C#N)CC1 ZINC001593736876 996330776 /nfs/dbraw/zinc/33/07/76/996330776.db2.gz IMQGGRFGZGVKGF-LBPRGKRZSA-N -1 0 342.424 2.596 20 30 EFEDRM C[C@]1(C#N)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001593743225 996366451 /nfs/dbraw/zinc/36/64/51/996366451.db2.gz SRNQITLFZDUKCX-GOSISDBHSA-N -1 0 342.399 2.752 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001593769559 996456638 /nfs/dbraw/zinc/45/66/38/996456638.db2.gz SETQNAXPSOSTQN-APWZRJJASA-N -1 0 341.411 2.832 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC001593772952 996469740 /nfs/dbraw/zinc/46/97/40/996469740.db2.gz OCSPUIZOVFWFBJ-GOSISDBHSA-N -1 0 339.351 2.540 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC001593772953 996469876 /nfs/dbraw/zinc/46/98/76/996469876.db2.gz OCSPUIZOVFWFBJ-SFHVURJKSA-N -1 0 339.351 2.540 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001593779343 996489409 /nfs/dbraw/zinc/48/94/09/996489409.db2.gz XWKWKMDNXNJAEV-KRWDZBQOSA-N -1 0 340.339 2.706 20 30 EFEDRM CC1(C)C[C@]1(C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001593863035 996661859 /nfs/dbraw/zinc/66/18/59/996661859.db2.gz AULFYGLOUPRWSI-CQSZACIVSA-N -1 0 337.173 2.569 20 30 EFEDRM CC1(C)CCc2onc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2C1 ZINC001593924477 996850298 /nfs/dbraw/zinc/85/02/98/996850298.db2.gz LIANXTNZGLJWDJ-QGZVFWFLSA-N -1 0 339.395 2.977 20 30 EFEDRM COc1cc(C)c(C(=O)/C=C/c2c(C)n(C)nc2C(=O)[O-])cc1OC ZINC001599389935 997014936 /nfs/dbraw/zinc/01/49/36/997014936.db2.gz NIFNZLOVFUETKM-VOTSOKGWSA-N -1 0 344.367 2.648 20 30 EFEDRM CC1(C)CO[C@H](CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001593954266 997043070 /nfs/dbraw/zinc/04/30/70/997043070.db2.gz JMIINCYZCVEMHU-ZBFHGGJFSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc(O)c1O ZINC001599399007 997180943 /nfs/dbraw/zinc/18/09/43/997180943.db2.gz ADVPTSCFUFCADK-UHFFFAOYSA-N -1 0 336.731 2.904 20 30 EFEDRM COc1cc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)ccc1C#N ZINC001599399594 997190569 /nfs/dbraw/zinc/19/05/69/997190569.db2.gz UQTFIFXVDYDIRR-UUILKARUSA-N -1 0 338.294 2.897 20 30 EFEDRM CC1(C)OCC[C@@H]1NN=Cc1ccc(C(=O)[O-])cc1Br ZINC001593981294 997201596 /nfs/dbraw/zinc/20/15/96/997201596.db2.gz KLANKXWELBAZGE-LBPRGKRZSA-N -1 0 341.205 2.638 20 30 EFEDRM COc1cc(CN(CC#N)C2CC2)c(Br)cc1C(=O)[O-] ZINC001599405403 997287313 /nfs/dbraw/zinc/28/73/13/997287313.db2.gz ZXPKVYPVLLSAOA-UHFFFAOYSA-N -1 0 339.189 2.644 20 30 EFEDRM COc1cc(CN(C)[C@H](C)CC#N)c(Br)cc1C(=O)[O-] ZINC001599406163 997305867 /nfs/dbraw/zinc/30/58/67/997305867.db2.gz VMVJRIZUKWBAPB-SECBINFHSA-N -1 0 341.205 2.890 20 30 EFEDRM COc1cc(CNC(=O)Nc2cc(C)cc(C#N)c2)ccc1C(=O)[O-] ZINC001599410974 997421350 /nfs/dbraw/zinc/42/13/50/997421350.db2.gz IAFORAWTWWRJMP-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1cc(CNC(=O)NCC2CCC(C#N)CC2)ccc1C(=O)[O-] ZINC001599411144 997423335 /nfs/dbraw/zinc/42/33/35/997423335.db2.gz FUFRBNIPIIUPBU-UHFFFAOYSA-N -1 0 345.399 2.523 20 30 EFEDRM COc1cc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C#N ZINC001599413581 997466508 /nfs/dbraw/zinc/46/65/08/997466508.db2.gz SOUXVFBGQCBCIN-UHFFFAOYSA-N -1 0 344.754 2.848 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C(=O)[O-])cc1 ZINC001599524090 997529165 /nfs/dbraw/zinc/52/91/65/997529165.db2.gz MUGPNBORMOPOKA-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001599320108 997566776 /nfs/dbraw/zinc/56/67/76/997566776.db2.gz BVJASMHMHAEIEK-UHFFFAOYSA-N -1 0 328.324 2.626 20 30 EFEDRM COc1ccc([C@H](NCC#Cc2ccc(F)cc2)C(=O)[O-])c(OC)c1 ZINC001599527983 997596452 /nfs/dbraw/zinc/59/64/52/997596452.db2.gz RLUNKTLAXSYAOS-SFHVURJKSA-N -1 0 343.354 2.610 20 30 EFEDRM COc1cc(NC(=O)[C@@H](C)CC#N)c(C(=O)[O-])cc1Br ZINC001599433688 997804806 /nfs/dbraw/zinc/80/48/06/997804806.db2.gz XIJPGQQZALNCTK-ZETCQYMHSA-N -1 0 341.161 2.644 20 30 EFEDRM COC(=O)c1cc(CNc2cc(C#N)ccc2OC)cc(C(=O)[O-])c1 ZINC001598933372 997813625 /nfs/dbraw/zinc/81/36/25/997813625.db2.gz JTHLEFMZJDVZCA-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)c(C(=O)[O-])cc1OC ZINC001599435343 997834702 /nfs/dbraw/zinc/83/47/02/997834702.db2.gz NALWZMBWJNGREZ-NSHDSACASA-N -1 0 347.371 2.560 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC001599230930 997852135 /nfs/dbraw/zinc/85/21/35/997852135.db2.gz HFQPEUWNIKQNKH-OQFOIZHKSA-N -1 0 340.379 2.759 20 30 EFEDRM COc1cc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(F)cc1C#N ZINC001599438499 997891570 /nfs/dbraw/zinc/89/15/70/997891570.db2.gz YIBHFIIMPPKONQ-CYBMUJFWSA-N -1 0 337.351 2.717 20 30 EFEDRM COc1cc(NC(=O)NCCc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001599439681 997911014 /nfs/dbraw/zinc/91/10/14/997911014.db2.gz OQUNJGWYFZPDLW-UHFFFAOYSA-N -1 0 339.351 2.629 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cc1ccc(C#N)cc1 ZINC001599546494 997931608 /nfs/dbraw/zinc/93/16/08/997931608.db2.gz OMVMUPPHOYNMFK-VQHVLOKHSA-N -1 0 337.331 2.813 20 30 EFEDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C#N)c(C)n1 ZINC001599546512 997932001 /nfs/dbraw/zinc/93/20/01/997932001.db2.gz OYSRWTQZUBYMHS-YWEYNIOJSA-N -1 0 338.319 2.587 20 30 EFEDRM C[C@]1(c2ccc(F)cc2)CCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001594073880 997935217 /nfs/dbraw/zinc/93/52/17/997935217.db2.gz UEFGGYUESFFCLK-SFHVURJKSA-N -1 0 325.343 2.959 20 30 EFEDRM COc1cc(NCCc2ccc(C#N)cc2)c(C(=O)[O-])cc1OC ZINC001599444240 997981318 /nfs/dbraw/zinc/98/13/18/997981318.db2.gz OGXHMUYQDYYIKY-UHFFFAOYSA-N -1 0 326.352 2.928 20 30 EFEDRM COc1ccc(C[C@H](C)Nc2ccc(C(=O)[O-])nc2C#N)cc1OC ZINC001599550552 997999475 /nfs/dbraw/zinc/99/94/75/997999475.db2.gz FVMVQUBHNOCXNT-NSHDSACASA-N -1 0 341.367 2.712 20 30 EFEDRM COc1cc(C#N)ccc1CSCc1noc(CCCC(=O)[O-])n1 ZINC001599347642 998036191 /nfs/dbraw/zinc/03/61/91/998036191.db2.gz ILCUAZVAQUXFCW-UHFFFAOYSA-N -1 0 347.396 2.791 20 30 EFEDRM COc1cc(C#N)ccc1COC(=O)c1ccsc1CC(=O)[O-] ZINC001599348218 998048460 /nfs/dbraw/zinc/04/84/60/998048460.db2.gz UWLKPDPVEWRLSS-UHFFFAOYSA-N -1 0 331.349 2.612 20 30 EFEDRM COc1cc(C#N)ccc1CN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001599348382 998049849 /nfs/dbraw/zinc/04/98/49/998049849.db2.gz VUDQTJOBBMNENG-KRWDZBQOSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599349071 998062105 /nfs/dbraw/zinc/06/21/05/998062105.db2.gz IDOOBYRTLBCPMV-QGZVFWFLSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1cc(C#N)cc(Br)c1OCCCCC(=O)[O-] ZINC001599349341 998066282 /nfs/dbraw/zinc/06/62/82/998066282.db2.gz PQCGLGRZRBLGOI-UHFFFAOYSA-N -1 0 328.162 2.963 20 30 EFEDRM COC(=O)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1C(=O)[O-] ZINC001598947729 998088410 /nfs/dbraw/zinc/08/84/10/998088410.db2.gz NIUMPFLAZIBEOU-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC(=O)c1cc(NCCCC2(C#N)CCOCC2)cc(C(=O)[O-])c1 ZINC001598947930 998090156 /nfs/dbraw/zinc/09/01/56/998090156.db2.gz AZISRKDELOEOQM-UHFFFAOYSA-N -1 0 346.383 2.684 20 30 EFEDRM COc1ccc(CN(C)c2ccc(C(=O)[O-])nc2C#N)cc1Cl ZINC001599559081 998153682 /nfs/dbraw/zinc/15/36/82/998153682.db2.gz SIEPRGWNXKFSIL-UHFFFAOYSA-N -1 0 331.759 2.950 20 30 EFEDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)ccc1C#N ZINC001599354593 998158146 /nfs/dbraw/zinc/15/81/46/998158146.db2.gz DCOCILJVMOZSPP-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM COc1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1C#N ZINC001599560566 998185508 /nfs/dbraw/zinc/18/55/08/998185508.db2.gz LHCJTGCGSXKRFC-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](CC#N)c2ccccc2)c1O ZINC001599357889 998209403 /nfs/dbraw/zinc/20/94/03/998209403.db2.gz FUPKQRTXXMBJKP-CYBMUJFWSA-N -1 0 340.335 2.735 20 30 EFEDRM COCCOCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599253100 998265107 /nfs/dbraw/zinc/26/51/07/998265107.db2.gz SLLPNUDYAKOYCT-SFHVURJKSA-N -1 0 340.379 2.959 20 30 EFEDRM C[C@@H]1/C(=C\c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120553 998272469 /nfs/dbraw/zinc/27/24/69/998272469.db2.gz OQGHHXRMYWGRGF-JTACMZLOSA-N -1 0 337.257 2.836 20 30 EFEDRM COc1cc2c(cc1F)CC[C@H]2Nc1ccc(C(=O)[O-])nc1C#N ZINC001599465054 998343841 /nfs/dbraw/zinc/34/38/41/998343841.db2.gz PQQSYCIQNKIYBB-GFCCVEGCSA-N -1 0 327.315 2.899 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1c(C#N)cnc2ccccc21 ZINC001599367511 998359221 /nfs/dbraw/zinc/35/92/21/998359221.db2.gz HPWGCEKNABEHBW-UHFFFAOYSA-N -1 0 347.374 2.890 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccc(C)c(C#N)c2)c1 ZINC001598962644 998360688 /nfs/dbraw/zinc/36/06/88/998360688.db2.gz LKDWYGYVIRWHST-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC[C@@H](C)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599161548 998466207 /nfs/dbraw/zinc/46/62/07/998466207.db2.gz XLUTXYZVRVPRLV-CQSZACIVSA-N -1 0 342.395 2.922 20 30 EFEDRM COc1ccc(Cl)cc1C#CCOC(=O)c1cc(C(=O)[O-])co1 ZINC001599577499 998469112 /nfs/dbraw/zinc/46/91/12/998469112.db2.gz XUMNMYFFZYWBJX-UHFFFAOYSA-N -1 0 334.711 2.848 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001599476932 998548305 /nfs/dbraw/zinc/54/83/05/998548305.db2.gz PWUQCEMVFXZRHO-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1ccc(C#N)cc1NCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599476953 998548753 /nfs/dbraw/zinc/54/87/53/998548753.db2.gz QSOZWPKOIBRZHH-UHFFFAOYSA-N -1 0 339.351 2.624 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2csc(C(=O)[O-])c2)c1C ZINC001599274488 998591129 /nfs/dbraw/zinc/59/11/29/998591129.db2.gz YOOUCTVUNPIEMM-PLNGDYQASA-N -1 0 334.397 2.802 20 30 EFEDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)C1(C#N)CC(C)C1 ZINC001599274714 998593730 /nfs/dbraw/zinc/59/37/30/998593730.db2.gz LIVHOGYPGONYHH-UHFFFAOYSA-N -1 0 346.383 2.565 20 30 EFEDRM COC(=O)c1ccccc1N=NC(C)c1ccccc1OCC(=O)[O-] ZINC001599003202 998836321 /nfs/dbraw/zinc/83/63/21/998836321.db2.gz YZJSKXOLQCLKOM-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM COC(=O)c1sc(N)c(C(=O)[O-])c1CSc1ccc(C#N)cc1 ZINC001599021032 998979568 /nfs/dbraw/zinc/97/95/68/998979568.db2.gz RHDGEPMTQFFYER-UHFFFAOYSA-N -1 0 348.405 2.979 20 30 EFEDRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1cccc(C#N)c1 ZINC001599027518 999026720 /nfs/dbraw/zinc/02/67/20/999026720.db2.gz UGMRMEIBJAVXJY-KRWDZBQOSA-N -1 0 327.336 2.788 20 30 EFEDRM C[C@H]1CC[C@@](NCc2nc(C#N)cs2)(C(=O)[O-])c2ccccc21 ZINC001594322073 999240006 /nfs/dbraw/zinc/24/00/06/999240006.db2.gz ZBDGHNFQLBOSGV-GTNSWQLSSA-N -1 0 327.409 2.982 20 30 EFEDRM CO[C@H](c1ccccc1F)[C@H](C)Nc1ccc(C(=O)[O-])nc1C#N ZINC001599064664 999290414 /nfs/dbraw/zinc/29/04/14/999290414.db2.gz YSLXSVCOHQBXGZ-QFYYESIMSA-N -1 0 329.331 2.979 20 30 EFEDRM CC#CC[C@H](NCc1cnc(CCc2ccccc2)s1)C(=O)[O-] ZINC001119615675 1126148088 /nfs/dbraw/zinc/14/80/88/1126148088.db2.gz OXXGVIKIUZAVPR-INIZCTEOSA-N -1 0 328.437 2.885 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-n3cccc3)ccc2Cl)[n-]c1C#N ZINC001570861120 1086573678 /nfs/dbraw/zinc/57/36/78/1086573678.db2.gz NQJKDSHKPRJIEC-UHFFFAOYSA-N -1 0 336.742 2.849 20 30 EFEDRM C#C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001573463798 1087795853 /nfs/dbraw/zinc/79/58/53/1087795853.db2.gz BGOHYNCMDSNTIQ-ZDUSSCGKSA-N -1 0 333.185 2.940 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574040906 1087924765 /nfs/dbraw/zinc/92/47/65/1087924765.db2.gz WUSFQAQSEBRDIJ-ZCPGHIKRSA-N -1 0 326.396 2.591 20 30 EFEDRM C[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC001575445027 1088472300 /nfs/dbraw/zinc/47/23/00/1088472300.db2.gz PPLUKZNTZDKSGX-SECBINFHSA-N -1 0 348.395 2.916 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1F ZINC001647200870 1089077240 /nfs/dbraw/zinc/07/72/40/1089077240.db2.gz YUBJRFHRLCTRTO-UHFFFAOYSA-N -1 0 333.266 2.845 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC001647217121 1089103218 /nfs/dbraw/zinc/10/32/18/1089103218.db2.gz KLIHPSGDUNSOEL-UHFFFAOYSA-N -1 0 334.441 2.897 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001647701741 1089797121 /nfs/dbraw/zinc/79/71/21/1089797121.db2.gz PVOJOYIMSIQYDW-IUODEOHRSA-N -1 0 338.415 2.706 20 30 EFEDRM CCOc1c(Cl)cccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000782301119 1092209217 /nfs/dbraw/zinc/20/92/17/1092209217.db2.gz JYWCGXDBWLEOHR-ZPIQOJFGSA-N -1 0 334.755 2.967 20 30 EFEDRM O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1ccc([O-])c(Cl)c1 ZINC000588480316 1092321938 /nfs/dbraw/zinc/32/19/38/1092321938.db2.gz AYCTZQDOOYYFCP-XQRVVYSFSA-N -1 0 340.770 2.977 20 30 EFEDRM CC(C)(C(=O)Nc1n[nH]c(-c2ccco2)n1)c1cc(F)cc(C#N)c1 ZINC001584910920 1092322426 /nfs/dbraw/zinc/32/24/26/1092322426.db2.gz JGOVISWEGRDTST-UHFFFAOYSA-N -1 0 339.330 2.992 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001649711451 1092612581 /nfs/dbraw/zinc/61/25/81/1092612581.db2.gz ZZMJSMZKWFPUOO-UHFFFAOYSA-N -1 0 344.392 2.730 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cc(C(F)(F)F)cc1C ZINC001588411087 1092942614 /nfs/dbraw/zinc/94/26/14/1092942614.db2.gz JLFZQGUZRQIWRI-UHFFFAOYSA-N -1 0 328.290 2.874 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[nH]n2)cc1Br ZINC001588455783 1092946665 /nfs/dbraw/zinc/94/66/65/1092946665.db2.gz CZTKBILCLQJKLW-PHIMTYICSA-N -1 0 347.220 2.712 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001588456204 1092946906 /nfs/dbraw/zinc/94/69/06/1092946906.db2.gz IRFQERDKJVWXHG-TXEJJXNPSA-N -1 0 326.360 2.771 20 30 EFEDRM C=C(CNC(=O)Nc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC001588443930 1092948326 /nfs/dbraw/zinc/94/83/26/1092948326.db2.gz BCMTXCJHKQTOFH-UHFFFAOYSA-N -1 0 338.346 2.841 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001588486698 1092949333 /nfs/dbraw/zinc/94/93/33/1092949333.db2.gz INVSHYCTVKEDCO-UHFFFAOYSA-N -1 0 346.410 2.797 20 30 EFEDRM C=C[C@@H](C(=O)N1CCc2c1cccc2-c1nn[nH]n1)c1ccccc1 ZINC001588467137 1092949613 /nfs/dbraw/zinc/94/96/13/1092949613.db2.gz CYKQGKNEYRTCNY-CQSZACIVSA-N -1 0 331.379 2.726 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588486916 1092949675 /nfs/dbraw/zinc/94/96/75/1092949675.db2.gz MGBLFAQPOPACSC-LBPRGKRZSA-N -1 0 328.420 2.829 20 30 EFEDRM C=CC1(CC(=O)OCc2cc(-c3nn[nH]n3)ccn2)CCCCC1 ZINC001588527163 1092952697 /nfs/dbraw/zinc/95/26/97/1092952697.db2.gz DNYIKXMNVKJKDB-UHFFFAOYSA-N -1 0 327.388 2.832 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC001588541798 1092954363 /nfs/dbraw/zinc/95/43/63/1092954363.db2.gz SPLQXNPGVASXGQ-GFCCVEGCSA-N -1 0 331.424 2.899 20 30 EFEDRM C=CCC(C)(C)c1noc(-c2ccc(-c3nn[nH]n3)cc2OC)n1 ZINC001588539563 1092954657 /nfs/dbraw/zinc/95/46/57/1092954657.db2.gz PZGXFGHGASNEIB-UHFFFAOYSA-N -1 0 326.360 2.779 20 30 EFEDRM C=CCC(C)(C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001588538609 1092955289 /nfs/dbraw/zinc/95/52/89/1092955289.db2.gz SWRQBNIIYAHQPV-NSHDSACASA-N -1 0 346.410 2.525 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N(c1ccc(-c2nn[nH]n2)cc1)C1CCC1 ZINC001588609050 1092967612 /nfs/dbraw/zinc/96/76/12/1092967612.db2.gz TXOCLOZPNBTVLP-CYBMUJFWSA-N -1 0 341.415 2.733 20 30 EFEDRM C=CCCCNC(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001588600729 1092967904 /nfs/dbraw/zinc/96/79/04/1092967904.db2.gz NWKUFRVACBIYAO-UHFFFAOYSA-N -1 0 328.420 2.753 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588653501 1092975327 /nfs/dbraw/zinc/97/53/27/1092975327.db2.gz JLVYKTPZYJXNPB-UHFFFAOYSA-N -1 0 333.395 2.624 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)c1csc(-c2nn[nH]n2)c1 ZINC001588653424 1092975934 /nfs/dbraw/zinc/97/59/34/1092975934.db2.gz HUODTEBZCNCCDF-UHFFFAOYSA-N -1 0 343.387 2.896 20 30 EFEDRM CC#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC001588747861 1092982864 /nfs/dbraw/zinc/98/28/64/1092982864.db2.gz YCPLMOQKWYQVMB-UHFFFAOYSA-N -1 0 348.366 2.804 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)C2CCSCC2)o1 ZINC001588781321 1092991358 /nfs/dbraw/zinc/99/13/58/1092991358.db2.gz UFZRCGRIVYVHOM-UHFFFAOYSA-N -1 0 335.437 2.909 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc(O)c2)o1 ZINC001588781132 1092991576 /nfs/dbraw/zinc/99/15/76/1092991576.db2.gz GTRBZOYPEOEBOD-UHFFFAOYSA-N -1 0 327.348 2.520 20 30 EFEDRM CC(=O)Nc1cccc(C(C)=NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC001588882913 1092998697 /nfs/dbraw/zinc/99/86/97/1092998697.db2.gz YPNFEPOEVYVYBW-UHFFFAOYSA-N -1 0 335.371 2.661 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc(-c3nn[nH]n3)c2)s1 ZINC001589231561 1093053793 /nfs/dbraw/zinc/05/37/93/1093053793.db2.gz AEFVHTUDDADHOL-SECBINFHSA-N -1 0 342.384 2.704 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCC(F)(F)C2)o1 ZINC001589237678 1093055145 /nfs/dbraw/zinc/05/51/45/1093055145.db2.gz CODYBXXLXMVYGR-MRVPVSSYSA-N -1 0 339.350 2.985 20 30 EFEDRM CCN(CC1CCC1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC ZINC001650299439 1093124505 /nfs/dbraw/zinc/12/45/05/1093124505.db2.gz RBMZADLNPQQXOH-UHFFFAOYSA-N -1 0 326.404 2.564 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCCCC#N)o1 ZINC001589804568 1093154268 /nfs/dbraw/zinc/15/42/68/1093154268.db2.gz HVAALGAXSMQRAG-UHFFFAOYSA-N -1 0 330.396 2.925 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000588579473 1093442741 /nfs/dbraw/zinc/44/27/41/1093442741.db2.gz PJXFTDHIZRGEDS-HYXAFXHYSA-N -1 0 346.408 2.820 20 30 EFEDRM CCCCCCCS(=O)(=O)Oc1cc(-c2nn[nH]n2)ccc1C ZINC001590594618 1093505438 /nfs/dbraw/zinc/50/54/38/1093505438.db2.gz OXFSYBPLHPQAOK-UHFFFAOYSA-N -1 0 338.433 2.854 20 30 EFEDRM CCSCc1ccc(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001590853519 1093600632 /nfs/dbraw/zinc/60/06/32/1093600632.db2.gz HJJKYICBGAQJCH-UHFFFAOYSA-N -1 0 338.400 2.525 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2ccc(-c3nnn[n-]3)o2)c1C#N ZINC001590872083 1093607313 /nfs/dbraw/zinc/60/73/13/1093607313.db2.gz FSYBRLGHNZSTFW-UHFFFAOYSA-N -1 0 328.357 2.516 20 30 EFEDRM CC(C)C#CC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001590927010 1093633670 /nfs/dbraw/zinc/63/36/70/1093633670.db2.gz OOSDTEBZNPPCQC-LBPRGKRZSA-N -1 0 344.230 2.754 20 30 EFEDRM CCn1c(CNc2c(C#N)cccc2-c2nn[nH]n2)nc2ccccc21 ZINC001590945798 1093639098 /nfs/dbraw/zinc/63/90/98/1093639098.db2.gz RRCCMEWXRSUNKP-UHFFFAOYSA-N -1 0 344.382 2.720 20 30 EFEDRM CO[C@@]1(C)CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC001591338950 1093698498 /nfs/dbraw/zinc/69/84/98/1093698498.db2.gz IOIWINCDJRLXSX-INIZCTEOSA-N -1 0 347.423 2.656 20 30 EFEDRM CSc1ccc(CSc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001591715050 1093840625 /nfs/dbraw/zinc/84/06/25/1093840625.db2.gz YIJNVIMAGYGGFL-UHFFFAOYSA-N -1 0 341.425 2.543 20 30 EFEDRM Cc1cc(C=CC(=O)c2cccc(C(=O)[O-])c2)ccc1-c1nn[nH]n1 ZINC001591959657 1093933003 /nfs/dbraw/zinc/93/30/03/1093933003.db2.gz VDOGBONGOOJCSE-VURMDHGXSA-N -1 0 334.335 2.769 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001592113068 1093984397 /nfs/dbraw/zinc/98/43/97/1093984397.db2.gz DLJLRXVFGNOAIR-GFCCVEGCSA-N -1 0 332.367 2.538 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001592113027 1093984971 /nfs/dbraw/zinc/98/49/71/1093984971.db2.gz CZTLLKBUNVJRHX-JKSUJKDBSA-N -1 0 344.378 2.789 20 30 EFEDRM Cc1ccccc1SC[C@H](C)Cn1cnc(-c2nnn[n-]2)c1C#N ZINC001592259918 1094057676 /nfs/dbraw/zinc/05/76/76/1094057676.db2.gz WFDGTLHFAYPZTI-LLVKDONJSA-N -1 0 339.428 2.672 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2csc(Cl)c2Cl)o1 ZINC001592338551 1094081716 /nfs/dbraw/zinc/08/17/16/1094081716.db2.gz HAZVZULNCXJJAM-UHFFFAOYSA-N -1 0 344.187 2.977 20 30 EFEDRM O=C([O-])c1cccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC001593283388 1094265074 /nfs/dbraw/zinc/26/50/74/1094265074.db2.gz QCXJYJVRGAIMKF-SNAWJCMRSA-N -1 0 326.337 2.523 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccnc(C(F)(F)F)c2)n1C ZINC001599984365 1094701034 /nfs/dbraw/zinc/70/10/34/1094701034.db2.gz GMXROLDEVXNLNJ-UHFFFAOYSA-N -1 0 326.278 2.892 20 30 EFEDRM Cc1c(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cnn1CCC#N ZINC001600007552 1094716771 /nfs/dbraw/zinc/71/67/71/1094716771.db2.gz SNVCZZQYKODWJB-UHFFFAOYSA-N -1 0 333.731 2.676 20 30 EFEDRM Cc1c(/C=C\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])nn1C ZINC001600009201 1094717384 /nfs/dbraw/zinc/71/73/84/1094717384.db2.gz IPJWHIPFJWKJFQ-XQRVVYSFSA-N -1 0 349.730 2.884 20 30 EFEDRM Cc1c(/C=C2/CSc3ccc(F)cc3C2=O)c(C(=O)[O-])nn1C ZINC001600009738 1094718389 /nfs/dbraw/zinc/71/83/89/1094718389.db2.gz QJCSKRRGRCMSAA-UITAMQMPSA-N -1 0 332.356 2.938 20 30 EFEDRM Cc1c(/C=C/C(=O)c2c[nH]c3cc(F)ccc23)c(C(=O)[O-])nn1C ZINC001600009772 1094719049 /nfs/dbraw/zinc/71/90/49/1094719049.db2.gz RIRDEBKTIVFFJX-AATRIKPKSA-N -1 0 327.315 2.943 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C#N)CC(C)C ZINC001600014322 1094721845 /nfs/dbraw/zinc/72/18/45/1094721845.db2.gz WKZFBTXUFYDFJA-LLVKDONJSA-N -1 0 344.820 2.563 20 30 EFEDRM Cc1c(NC(=O)COc2ccccc2C#N)ccc(F)c1C(=O)[O-] ZINC001600036044 1094732559 /nfs/dbraw/zinc/73/25/59/1094732559.db2.gz VPGWTJQDMMWOPY-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM Cc1c(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cnn1C1CCOCC1 ZINC001600049323 1094742412 /nfs/dbraw/zinc/74/24/12/1094742412.db2.gz PQPXJXWVMJZAHR-KRWDZBQOSA-N -1 0 340.383 2.653 20 30 EFEDRM Cc1cc(Br)c(=O)n(Cc2cccc(C(=O)[O-])c2C#N)c1 ZINC001600066531 1094749964 /nfs/dbraw/zinc/74/99/64/1094749964.db2.gz DOACKNGPXRXBNM-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)c1cc(C#N)c[nH]1 ZINC001600067822 1094750437 /nfs/dbraw/zinc/75/04/37/1094750437.db2.gz IQYIGIUIMDODLW-UHFFFAOYSA-N -1 0 348.156 2.908 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001600075188 1094753094 /nfs/dbraw/zinc/75/30/94/1094753094.db2.gz LISFCQLBASBNBV-SFHVURJKSA-N -1 0 347.374 2.774 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001600074726 1094753512 /nfs/dbraw/zinc/75/35/12/1094753512.db2.gz QJTRDGPUMDOQNQ-GOSISDBHSA-N -1 0 336.391 2.702 20 30 EFEDRM Cc1cc(C#N)cc(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001600074032 1094753557 /nfs/dbraw/zinc/75/35/57/1094753557.db2.gz IQBJNPMYBCJNNJ-UHFFFAOYSA-N -1 0 336.413 2.644 20 30 EFEDRM Cc1oc(CN(C)C(=O)Cc2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC001600074394 1094753847 /nfs/dbraw/zinc/75/38/47/1094753847.db2.gz BUFHCWVCTHTXGL-UHFFFAOYSA-N -1 0 340.379 2.976 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001600074282 1094753935 /nfs/dbraw/zinc/75/39/35/1094753935.db2.gz WBUQIXKNNVJXCH-RDTXWAMCSA-N -1 0 327.384 2.975 20 30 EFEDRM Cc1cc(C#N)cc(C)c1Cc1nc(-c2cc(C(=O)[O-])n(C)c2)no1 ZINC001600074013 1094754016 /nfs/dbraw/zinc/75/40/16/1094754016.db2.gz HNSPUSSPDJIMAC-UHFFFAOYSA-N -1 0 336.351 2.853 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001600074517 1094754068 /nfs/dbraw/zinc/75/40/68/1094754068.db2.gz HTRUTCZZIIWWNN-UHFFFAOYSA-N -1 0 343.770 2.852 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600076297 1094755759 /nfs/dbraw/zinc/75/57/59/1094755759.db2.gz RTVIRTKMOKLXKN-CQSZACIVSA-N -1 0 344.754 2.768 20 30 EFEDRM Cc1cc(C(=O)NC2(C(=O)[O-])CCC2)c(C)n1-c1ccc(C#N)cc1 ZINC001600087320 1094764267 /nfs/dbraw/zinc/76/42/67/1094764267.db2.gz FNOSJBPAZOZKBT-UHFFFAOYSA-N -1 0 337.379 2.703 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001600088934 1094765419 /nfs/dbraw/zinc/76/54/19/1094765419.db2.gz YPIZHXHCGAGZKB-REPPVQDKSA-N -1 0 337.379 2.725 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)ncc1C#N ZINC001600098745 1094769878 /nfs/dbraw/zinc/76/98/78/1094769878.db2.gz BWZWPUMEKCDJAE-UHFFFAOYSA-N -1 0 345.742 2.631 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2 ZINC001600131782 1094792284 /nfs/dbraw/zinc/79/22/84/1094792284.db2.gz IUBUWBHQLJZPTA-VIFPVBQESA-N -1 0 339.351 2.930 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(Cl)n1 ZINC001600134641 1094793223 /nfs/dbraw/zinc/79/32/23/1094793223.db2.gz NKFHWNVOHUQLIA-AWEZNQCLSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(Cl)n1 ZINC001600134642 1094793565 /nfs/dbraw/zinc/79/35/65/1094793565.db2.gz NKFHWNVOHUQLIA-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1cc(C(=O)OCc2ccc(C#N)o2)cc(C)c1OCC(=O)[O-] ZINC001600137167 1094794623 /nfs/dbraw/zinc/79/46/23/1094794623.db2.gz CHXLSQJTOCNVJV-UHFFFAOYSA-N -1 0 329.308 2.589 20 30 EFEDRM Cc1nc(COC(=O)c2cc(C)c(C#N)c(C)c2)sc1C(=O)[O-] ZINC001600138210 1094796665 /nfs/dbraw/zinc/79/66/65/1094796665.db2.gz IJHGBOLKCBSYKP-UHFFFAOYSA-N -1 0 330.365 2.995 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])ccc1F ZINC001600151116 1094813375 /nfs/dbraw/zinc/81/33/75/1094813375.db2.gz STWVWHYNHAIQMU-OAHLLOKOSA-N -1 0 330.290 2.701 20 30 EFEDRM Cc1cc(C)c(CN(CC#N)CC(=O)[O-])c(OCc2ccccc2)n1 ZINC001600160419 1094824646 /nfs/dbraw/zinc/82/46/46/1094824646.db2.gz WKNZMLYULJZBKS-UHFFFAOYSA-N -1 0 339.395 2.688 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2sccc2CC#N)C(=O)[O-])c1 ZINC001600167745 1094833363 /nfs/dbraw/zinc/83/33/63/1094833363.db2.gz ICPOGXVBAQZRAV-CQSZACIVSA-N -1 0 328.393 2.987 20 30 EFEDRM Cc1cc(C)n2nc(SCc3cccc(C(=O)[O-])c3C#N)nc2n1 ZINC001600180827 1094848042 /nfs/dbraw/zinc/84/80/42/1094848042.db2.gz WMFACZPGZXPYDX-UHFFFAOYSA-N -1 0 339.380 2.603 20 30 EFEDRM Cc1cc(CN=Nc2ncc(Cl)cn2)cc(C)c1OCC(=O)[O-] ZINC001600185345 1094851258 /nfs/dbraw/zinc/85/12/58/1094851258.db2.gz MYVOBXIDLAJSFS-UHFFFAOYSA-N -1 0 334.763 2.656 20 30 EFEDRM Cc1cc(CN(c2ccc(C(=O)[O-])cc2)S(C)(=O)=O)ccc1C#N ZINC001600190616 1094860357 /nfs/dbraw/zinc/86/03/57/1094860357.db2.gz NXKYTHNPAUSLEB-UHFFFAOYSA-N -1 0 344.392 2.531 20 30 EFEDRM Cc1cc(N[C@H](CCC#N)c2ccccc2)n2nc(C(=O)[O-])nc2n1 ZINC001600279102 1094939840 /nfs/dbraw/zinc/93/98/40/1094939840.db2.gz GLPLJOMFFRXINX-CYBMUJFWSA-N -1 0 336.355 2.588 20 30 EFEDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1OCC#N ZINC001600290451 1094949122 /nfs/dbraw/zinc/94/91/22/1094949122.db2.gz XOEBUDRGUCBSEM-UHFFFAOYSA-N -1 0 340.335 2.613 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2cccc(C)c2C(=O)[O-])ccc1C#N ZINC001600292539 1094951424 /nfs/dbraw/zinc/95/14/24/1094951424.db2.gz SXYZYOJVYBLRFU-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2cc(C)c(C#N)c(C)c2C)oc1C(=O)[O-] ZINC001600301201 1094953796 /nfs/dbraw/zinc/95/37/96/1094953796.db2.gz ZRHFQEKNDCVCSA-UHFFFAOYSA-N -1 0 349.364 2.851 20 30 EFEDRM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001600305660 1094957770 /nfs/dbraw/zinc/95/77/70/1094957770.db2.gz GMCDJXHTYPOTSN-UHFFFAOYSA-N -1 0 334.335 2.622 20 30 EFEDRM Cc1ccc(-c2nnc([C@@H](C)N(CC#N)CCC(=O)[O-])o2)cc1C ZINC001600318698 1094969120 /nfs/dbraw/zinc/96/91/20/1094969120.db2.gz HLHZLOPIYXIQOQ-CYBMUJFWSA-N -1 0 328.372 2.715 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001600328935 1094975329 /nfs/dbraw/zinc/97/53/29/1094975329.db2.gz YWFDXARDVMZJSE-SECBINFHSA-N -1 0 330.369 2.904 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001600328882 1094975666 /nfs/dbraw/zinc/97/56/66/1094975666.db2.gz WOODTMOEXSSEEI-IBGZPJMESA-N -1 0 340.354 2.822 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001600328533 1094975776 /nfs/dbraw/zinc/97/57/76/1094975776.db2.gz AFMPQANSMPUFKA-BLIJAFNYSA-N -1 0 329.396 2.884 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001600328571 1094975965 /nfs/dbraw/zinc/97/59/65/1094975965.db2.gz BEQUDTZXXNNQNM-FJVVXJACSA-N -1 0 329.396 2.837 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001600329363 1094977813 /nfs/dbraw/zinc/97/78/13/1094977813.db2.gz PNUQXGSMNKLYJN-VAWYXSNFSA-N -1 0 329.396 2.980 20 30 EFEDRM Cc1[nH]c(C(=O)COC(=O)c2ccc(C)c(C#N)c2)c(C)c1C(=O)[O-] ZINC001600365752 1095005954 /nfs/dbraw/zinc/00/59/54/1095005954.db2.gz QNNYZIWRAFYASE-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001600371306 1095010593 /nfs/dbraw/zinc/01/05/93/1095010593.db2.gz DHLWAPDUOFEYFP-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600413462 1095047512 /nfs/dbraw/zinc/04/75/12/1095047512.db2.gz XRRMWSHWCYPJEV-HNNXBMFYSA-N -1 0 336.395 2.646 20 30 EFEDRM Cc1ccc(CS(=O)(=O)C[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C#N ZINC001600421664 1095052158 /nfs/dbraw/zinc/05/21/58/1095052158.db2.gz FUHJAURLAHPJQI-HOCLYGCPSA-N -1 0 335.425 2.673 20 30 EFEDRM Cc1ccc(COCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001600421212 1095053378 /nfs/dbraw/zinc/05/33/78/1095053378.db2.gz KFAXQZUTLAYKQH-GOSISDBHSA-N -1 0 339.347 2.752 20 30 EFEDRM Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)c(C(=O)[O-])c1 ZINC001600450529 1095074479 /nfs/dbraw/zinc/07/44/79/1095074479.db2.gz SYGPGTKAVLCDIC-UHFFFAOYSA-N -1 0 344.367 2.563 20 30 EFEDRM Cc1c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cnn1CCC#N ZINC001600458118 1095082026 /nfs/dbraw/zinc/08/20/26/1095082026.db2.gz LDWIVGPRGHVFDM-UHFFFAOYSA-N -1 0 326.356 2.673 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2c(C)cc(F)cc2C#N)c(C(=O)[O-])c1 ZINC001600472540 1095094276 /nfs/dbraw/zinc/09/42/76/1095094276.db2.gz SBKOABAMDQANMO-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc2c(cnn2CN(CCC#N)CC(F)(F)F)c1C(=O)[O-] ZINC001600498885 1095113190 /nfs/dbraw/zinc/11/31/90/1095113190.db2.gz VHZXETFOWQMSQG-UHFFFAOYSA-N -1 0 340.305 2.778 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2cscc2C#N)C(=O)[O-])c1 ZINC001600526887 1095136996 /nfs/dbraw/zinc/13/69/96/1095136996.db2.gz BGBWWTMAPCMVGT-ZDUSSCGKSA-N -1 0 328.393 2.602 20 30 EFEDRM Cc1cccc(CN2CCC(C#N)(C(=O)[O-])CC2)c1Br ZINC001600532361 1095141656 /nfs/dbraw/zinc/14/16/56/1095141656.db2.gz ISHVFRCUEWIYGV-UHFFFAOYSA-N -1 0 337.217 2.948 20 30 EFEDRM Cc1ccccc1[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1 ZINC001600572144 1095177060 /nfs/dbraw/zinc/17/70/60/1095177060.db2.gz GEBYAMDWGWFRJF-MRXNPFEDSA-N -1 0 341.411 2.846 20 30 EFEDRM Cc1ccccc1CNC(=O)[C@@H](C)ON=Cc1ccc(C(=O)[O-])cc1 ZINC001600581460 1095184324 /nfs/dbraw/zinc/18/43/24/1095184324.db2.gz XNYGBNKIQWBWRP-CQSZACIVSA-N -1 0 340.379 2.749 20 30 EFEDRM Cc1cnc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001600620384 1095214861 /nfs/dbraw/zinc/21/48/61/1095214861.db2.gz LZDZMUXOBTUYBD-MRXNPFEDSA-N -1 0 328.324 2.547 20 30 EFEDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)N(C)C[C@H](C)C#N)c1 ZINC001600632900 1095224949 /nfs/dbraw/zinc/22/49/49/1095224949.db2.gz KFWDWYPJJZVEKB-LLVKDONJSA-N -1 0 341.371 2.502 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1c(C#N)c(C)c2ccccn21 ZINC001600642287 1095230549 /nfs/dbraw/zinc/23/05/49/1095230549.db2.gz GQVQJNHYFDGQPA-UHFFFAOYSA-N -1 0 337.335 2.900 20 30 EFEDRM Cc1csc(NC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])c1C#N ZINC001600661732 1095243209 /nfs/dbraw/zinc/24/32/09/1095243209.db2.gz CIQWYHDZTMHFNM-CYBMUJFWSA-N -1 0 345.380 2.582 20 30 EFEDRM Cc1nc(-c2cccc(C(=O)N(CC#N)CCC(=O)[O-])c2)cs1 ZINC001600677837 1095253394 /nfs/dbraw/zinc/25/33/94/1095253394.db2.gz NKMDGPXRSYEVQN-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1nc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])ccc1C#N ZINC001600684454 1095258859 /nfs/dbraw/zinc/25/88/59/1095258859.db2.gz CPYXMBXXUYSYRZ-UHFFFAOYSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC001600691588 1095264862 /nfs/dbraw/zinc/26/48/62/1095264862.db2.gz KKGGUCLOCQTBSJ-OAHLLOKOSA-N -1 0 330.365 2.543 20 30 EFEDRM Cc1nc(CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C)s1 ZINC001600697461 1095267712 /nfs/dbraw/zinc/26/77/12/1095267712.db2.gz GGXKLOLRWFKXJG-UHFFFAOYSA-N -1 0 329.377 2.596 20 30 EFEDRM Cc1nc(COC(=O)[C@@H](CC#N)c2ccccc2)sc1C(=O)[O-] ZINC001600705733 1095274303 /nfs/dbraw/zinc/27/43/03/1095274303.db2.gz QGBBUMJEOMFGHS-LBPRGKRZSA-N -1 0 330.365 2.890 20 30 EFEDRM Cc1nc(Cl)ccc1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600707596 1095276548 /nfs/dbraw/zinc/27/65/48/1095276548.db2.gz XBWHTXRCBMIXEU-INIZCTEOSA-N -1 0 344.754 2.827 20 30 EFEDRM Cc1ncc(CO)c(/C=N\C[C@@H](C(=O)[O-])C2CCCCCC2)c1O ZINC001600738240 1095299359 /nfs/dbraw/zinc/29/93/59/1095299359.db2.gz UEYOBEDRKCTHTQ-OSSOMXAKSA-N -1 0 334.416 2.678 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001600783633 1095330332 /nfs/dbraw/zinc/33/03/32/1095330332.db2.gz SFJBNMOEHCRUEH-CABCVRRESA-N -1 0 347.415 2.533 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211649996 1095336781 /nfs/dbraw/zinc/33/67/81/1095336781.db2.gz KJYKROOPBWJKLR-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1C(=O)OCCCOc1cccc(C#N)c1 ZINC001600828108 1095360321 /nfs/dbraw/zinc/36/03/21/1095360321.db2.gz IDZXSMMBWNJKEZ-UHFFFAOYSA-N -1 0 329.308 2.784 20 30 EFEDRM Cc1oc(C2CC2)nc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600837932 1095369469 /nfs/dbraw/zinc/36/94/69/1095369469.db2.gz HPBYULWFBNXASU-AWEZNQCLSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC001600841304 1095371321 /nfs/dbraw/zinc/37/13/21/1095371321.db2.gz WDAZGBKNJDCDEB-UHFFFAOYSA-N -1 0 345.330 2.639 20 30 EFEDRM Cc1oc(CN(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600841373 1095371482 /nfs/dbraw/zinc/37/14/82/1095371482.db2.gz XJCJEIAAHRYIRB-YVMONPNESA-N -1 0 345.326 2.666 20 30 EFEDRM Cc1onc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1C#N ZINC001600863743 1095388146 /nfs/dbraw/zinc/38/81/46/1095388146.db2.gz CCWPUKQHEBGQIY-UHFFFAOYSA-N -1 0 343.339 2.521 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001600902729 1095417064 /nfs/dbraw/zinc/41/70/64/1095417064.db2.gz OZNPQXMORWNEDR-UHFFFAOYSA-N -1 0 337.379 2.615 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)Nc1ccccc1C(=O)[O-] ZINC001600908929 1095420308 /nfs/dbraw/zinc/42/03/08/1095420308.db2.gz KTLQHCSDKBZAFX-LBPRGKRZSA-N -1 0 334.335 2.517 20 30 EFEDRM Cn1c(/C=C\C(=O)c2c(Cl)nc3sccn32)ccc1C(=O)[O-] ZINC001600911540 1095423852 /nfs/dbraw/zinc/42/38/52/1095423852.db2.gz HYIVTOMYBIJLBV-HYXAFXHYSA-N -1 0 335.772 2.982 20 30 EFEDRM Cn1c(/C=C/C(=O)c2c(Cl)nc3sccn32)ccc1C(=O)[O-] ZINC001600911535 1095424084 /nfs/dbraw/zinc/42/40/84/1095424084.db2.gz HYIVTOMYBIJLBV-HWKANZROSA-N -1 0 335.772 2.982 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 ZINC001600912535 1095424798 /nfs/dbraw/zinc/42/47/98/1095424798.db2.gz ZNUUIKIEBWIWLB-MRXNPFEDSA-N -1 0 337.379 2.962 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000835939142 1095427972 /nfs/dbraw/zinc/42/79/72/1095427972.db2.gz GPVOVDIEKJWIIX-MRXNPFEDSA-N -1 0 331.478 2.632 20 30 EFEDRM Cn1cc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001600964899 1095448010 /nfs/dbraw/zinc/44/80/10/1095448010.db2.gz PBQQIJOFGOHAFV-HNNXBMFYSA-N -1 0 338.367 2.794 20 30 EFEDRM Cn1nc(C(F)(F)F)cc1CON=Cc1ccc(C(=O)[O-])cc1 ZINC001601019518 1095468924 /nfs/dbraw/zinc/46/89/24/1095468924.db2.gz FKWFDZDGVGBCSH-UHFFFAOYSA-N -1 0 327.262 2.688 20 30 EFEDRM Cn1ncc(C2CCC2)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001601026763 1095472195 /nfs/dbraw/zinc/47/21/95/1095472195.db2.gz RMOSVKFRWGYWKJ-INIZCTEOSA-N -1 0 339.351 2.542 20 30 EFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001601047119 1095477373 /nfs/dbraw/zinc/47/73/73/1095477373.db2.gz JLUKGRDOOIDLLE-JTQLQIEISA-N -1 0 332.699 2.592 20 30 EFEDRM N#CC(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1nc2ccccc2s1 ZINC001601047620 1095477547 /nfs/dbraw/zinc/47/75/47/1095477547.db2.gz VUVJQMDFNBYNTK-QJPTWQEYSA-N -1 0 344.392 2.742 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])[nH]1)c1nc2cc(F)ccc2s1 ZINC001601047342 1095478142 /nfs/dbraw/zinc/47/81/42/1095478142.db2.gz NIRXWIRZHXLGET-QMMMGPOBSA-N -1 0 329.312 2.952 20 30 EFEDRM N#C[C@H](C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC001601047327 1095478451 /nfs/dbraw/zinc/47/84/51/1095478451.db2.gz MUZNFSHGMPUUSA-SECBINFHSA-N -1 0 344.277 2.948 20 30 EFEDRM N#C[C@H](COC(=O)c1cccc(CC(=O)[O-])c1)Cc1cccs1 ZINC001601048874 1095479641 /nfs/dbraw/zinc/47/96/41/1095479641.db2.gz QXTJQYFEOFGVOH-CYBMUJFWSA-N -1 0 329.377 2.914 20 30 EFEDRM N#CC1(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CCCCC1 ZINC001601050346 1095479753 /nfs/dbraw/zinc/47/97/53/1095479753.db2.gz LWVXOAMWGCFHBD-WDEREUQCSA-N -1 0 332.322 2.572 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001601048852 1095479842 /nfs/dbraw/zinc/47/98/42/1095479842.db2.gz QNBBIDMRSYOLBD-JTQLQIEISA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC001601049848 1095479969 /nfs/dbraw/zinc/47/99/69/1095479969.db2.gz WXQHTEGABLWDTE-LSDHHAIUSA-N -1 0 330.359 2.536 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCCc3sccc32)CC1 ZINC001601051515 1095481290 /nfs/dbraw/zinc/48/12/90/1095481290.db2.gz QTEMKHOKOBKGAO-GFCCVEGCSA-N -1 0 333.413 2.525 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCCc3sccc32)CC1 ZINC001601051517 1095481611 /nfs/dbraw/zinc/48/16/11/1095481611.db2.gz QTEMKHOKOBKGAO-LBPRGKRZSA-N -1 0 333.413 2.525 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC001601051234 1095481620 /nfs/dbraw/zinc/48/16/20/1095481620.db2.gz HRLUNBVFRAHKHV-UHFFFAOYSA-N -1 0 338.816 2.649 20 30 EFEDRM N#C[C@]1(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CC12CCCC2 ZINC001601050715 1095481691 /nfs/dbraw/zinc/48/16/91/1095481691.db2.gz HMYACULZCSRWEC-SFHVURJKSA-N -1 0 338.367 2.533 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC001601053370 1095482698 /nfs/dbraw/zinc/48/26/98/1095482698.db2.gz WEJVLPPHPFVWLP-CQSZACIVSA-N -1 0 347.802 2.523 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC001601053998 1095482822 /nfs/dbraw/zinc/48/28/22/1095482822.db2.gz ZAULINFUSKUBMD-UHFFFAOYSA-N -1 0 332.747 2.585 20 30 EFEDRM N#CC1(CC(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC001601055128 1095483153 /nfs/dbraw/zinc/48/31/53/1095483153.db2.gz SBDQPZOYTZDFBS-GFCCVEGCSA-N -1 0 326.274 2.798 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC001601053084 1095483357 /nfs/dbraw/zinc/48/33/57/1095483357.db2.gz NGGIIBGMYXUYJP-UHFFFAOYSA-N -1 0 335.363 2.579 20 30 EFEDRM N#C[C@@]1(c2ccccn2)CCCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC001601057786 1095484297 /nfs/dbraw/zinc/48/42/97/1095484297.db2.gz FEOJUNMULWLIKK-KRWDZBQOSA-N -1 0 327.409 2.899 20 30 EFEDRM N#C[C@]1(NC(=O)/C=C\c2cc(C(=O)[O-])co2)CCc2ccccc2C1 ZINC001601056895 1095484445 /nfs/dbraw/zinc/48/44/45/1095484445.db2.gz DKHYTQZVUPOCSA-VOFKWLDRSA-N -1 0 336.347 2.558 20 30 EFEDRM N#C[C@@]1(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)CCc2ccccc2C1 ZINC001601058107 1095484643 /nfs/dbraw/zinc/48/46/43/1095484643.db2.gz IUXOTQUUXRSZNV-MONCILHSSA-N -1 0 336.347 2.558 20 30 EFEDRM N#CC1(c2ccc(C(=O)OCC(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001601057542 1095484934 /nfs/dbraw/zinc/48/49/34/1095484934.db2.gz ALLSCXMZLAPVJW-UHFFFAOYSA-N -1 0 349.342 2.980 20 30 EFEDRM N#CC[C@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001601062321 1095486137 /nfs/dbraw/zinc/48/61/37/1095486137.db2.gz NJEQHXLNAXBLTG-GFCCVEGCSA-N -1 0 329.381 2.796 20 30 EFEDRM N#CCC1(CS(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC001601061962 1095486261 /nfs/dbraw/zinc/48/62/61/1095486261.db2.gz BANAILVGTZJIHA-UHFFFAOYSA-N -1 0 345.376 2.940 20 30 EFEDRM N#CC[C@H](C(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC001601061277 1095486299 /nfs/dbraw/zinc/48/62/99/1095486299.db2.gz SHOCMQOBVRJYJZ-LBPRGKRZSA-N -1 0 344.396 2.581 20 30 EFEDRM N#C[C@@H]1CC[C@@H](N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC001601059536 1095486436 /nfs/dbraw/zinc/48/64/36/1095486436.db2.gz GRPHZIGJHDOYNO-XYPHTWIQSA-N -1 0 347.846 2.776 20 30 EFEDRM N#CC[C@@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001601061627 1095486600 /nfs/dbraw/zinc/48/66/00/1095486600.db2.gz YMOKBFXOCXLNHG-JKSUJKDBSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC[C@H](CC(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001601062075 1095486653 /nfs/dbraw/zinc/48/66/53/1095486653.db2.gz MEAXDRYOKPWKTN-GFCCVEGCSA-N -1 0 329.381 2.545 20 30 EFEDRM N#CC[C@@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001601060318 1095486720 /nfs/dbraw/zinc/48/67/20/1095486720.db2.gz BYWGCUCWVFKNIQ-CYBMUJFWSA-N -1 0 343.770 2.747 20 30 EFEDRM N#CCCCn1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC001601067073 1095487725 /nfs/dbraw/zinc/48/77/25/1095487725.db2.gz PZHNUYKPKFDHTG-INIZCTEOSA-N -1 0 326.352 2.965 20 30 EFEDRM N#CCCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001601067000 1095487936 /nfs/dbraw/zinc/48/79/36/1095487936.db2.gz SYFLQAOADHPBAI-MRXNPFEDSA-N -1 0 337.379 2.874 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c1 ZINC001601065812 1095488028 /nfs/dbraw/zinc/48/80/28/1095488028.db2.gz WSLVDAKEAZNYSS-XJKSGUPXSA-N -1 0 346.383 2.578 20 30 EFEDRM N#CCC[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001601066085 1095488039 /nfs/dbraw/zinc/48/80/39/1095488039.db2.gz COPMSPJATMKMPN-ARFHVFGLSA-N -1 0 330.384 2.560 20 30 EFEDRM N#CCCC[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC001601065996 1095488437 /nfs/dbraw/zinc/48/84/37/1095488437.db2.gz BJLWIZOICWYERT-GVDBMIGSSA-N -1 0 344.411 2.808 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001601073012 1095489372 /nfs/dbraw/zinc/48/93/72/1095489372.db2.gz WQTIHLZHIGKGLS-UHFFFAOYSA-N -1 0 334.379 2.826 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001601070894 1095489807 /nfs/dbraw/zinc/48/98/07/1095489807.db2.gz ZMKHLTRVGNAXSR-UHFFFAOYSA-N -1 0 340.166 2.915 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001601072702 1095489822 /nfs/dbraw/zinc/48/98/22/1095489822.db2.gz LVNKAQRPZORUFZ-UHFFFAOYSA-N -1 0 334.269 2.567 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001601067624 1095489977 /nfs/dbraw/zinc/48/99/77/1095489977.db2.gz BELSSMDBHNNSGC-UHFFFAOYSA-N -1 0 342.330 2.867 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC001601071341 1095489983 /nfs/dbraw/zinc/48/99/83/1095489983.db2.gz AIDDDZURDLAKKB-UHFFFAOYSA-N -1 0 347.374 2.740 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)COc1ccc(-c2ccccc2)cc1 ZINC001601071209 1095490037 /nfs/dbraw/zinc/49/00/37/1095490037.db2.gz VXTZIBGUCBRVLL-UHFFFAOYSA-N -1 0 338.363 2.559 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001601073668 1095491068 /nfs/dbraw/zinc/49/10/68/1095491068.db2.gz HZOPHCPHOVFYCA-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC001601075283 1095491298 /nfs/dbraw/zinc/49/12/98/1095491298.db2.gz GCLIBMZOTIRLSE-UHFFFAOYSA-N -1 0 343.310 2.712 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001601075765 1095491490 /nfs/dbraw/zinc/49/14/90/1095491490.db2.gz KQIPWZPYMZCTAQ-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCc2ccccc2C(=O)[O-])c1 ZINC001601075536 1095491905 /nfs/dbraw/zinc/49/19/05/1095491905.db2.gz KCAVCJBYQZDKHK-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001601077087 1095493175 /nfs/dbraw/zinc/49/31/75/1095493175.db2.gz LAXSGBNCZIDXIX-UHFFFAOYSA-N -1 0 345.305 2.780 20 30 EFEDRM N#Cc1c(COC(=O)c2ccsc2CC(=O)[O-])cn2ccccc12 ZINC001601080262 1095494810 /nfs/dbraw/zinc/49/48/10/1095494810.db2.gz FUGUZEZARSECIB-UHFFFAOYSA-N -1 0 340.360 2.857 20 30 EFEDRM N#CCn1c(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc2ccccc21 ZINC001601079307 1095494831 /nfs/dbraw/zinc/49/48/31/1095494831.db2.gz UVHINVVXYCZRLP-OCCSQVGLSA-N -1 0 325.368 2.538 20 30 EFEDRM N#Cc1c(COC(=O)c2n[nH]c3c2CCCCC3)cccc1C(=O)[O-] ZINC001601080610 1095494964 /nfs/dbraw/zinc/49/49/64/1095494964.db2.gz PMOGTDUUYZENQH-UHFFFAOYSA-N -1 0 339.351 2.605 20 30 EFEDRM N#Cc1c(COC(=O)c2nc(Cl)ccc2F)cccc1C(=O)[O-] ZINC001601080244 1095494977 /nfs/dbraw/zinc/49/49/77/1095494977.db2.gz DWWZIGDOGHFPAJ-UHFFFAOYSA-N -1 0 334.690 2.801 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001601078700 1095495120 /nfs/dbraw/zinc/49/51/20/1095495120.db2.gz WJRAICFEPXUITE-BZSNNMDCSA-N -1 0 340.423 2.787 20 30 EFEDRM N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001601079290 1095495219 /nfs/dbraw/zinc/49/52/19/1095495219.db2.gz IUWLGHYFCIULBP-VBNZEHGJSA-N -1 0 341.411 2.796 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001601078701 1095495265 /nfs/dbraw/zinc/49/52/65/1095495265.db2.gz WJRAICFEPXUITE-FGTMMUONSA-N -1 0 340.423 2.787 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1F ZINC001601081202 1095496148 /nfs/dbraw/zinc/49/61/48/1095496148.db2.gz QBUNIKFWFRNCFZ-UHFFFAOYSA-N -1 0 330.290 2.507 20 30 EFEDRM N#Cc1c(CN[C@@H](CO)c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001601082417 1095496398 /nfs/dbraw/zinc/49/63/98/1095496398.db2.gz TYDIDFARPHREIB-INIZCTEOSA-N -1 0 330.771 2.733 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC001601081305 1095496744 /nfs/dbraw/zinc/49/67/44/1095496744.db2.gz SMANCOQRVRCCQY-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001601081589 1095496870 /nfs/dbraw/zinc/49/68/70/1095496870.db2.gz NGRZZIZQJGKAOB-UHFFFAOYSA-N -1 0 333.347 2.710 20 30 EFEDRM N#Cc1c(CN2CCO[C@H](c3ccsc3)C2)cccc1C(=O)[O-] ZINC001601082431 1095496900 /nfs/dbraw/zinc/49/69/00/1095496900.db2.gz UKYLJRFSTQHDBO-INIZCTEOSA-N -1 0 328.393 2.891 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2COc3ccccc3C2)cccc1C(=O)[O-] ZINC001601083193 1095497537 /nfs/dbraw/zinc/49/75/37/1095497537.db2.gz ANRDHJQPLMBYJN-CQSZACIVSA-N -1 0 337.331 2.551 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2COc3ccccc3C2)cccc1C(=O)[O-] ZINC001601083191 1095497674 /nfs/dbraw/zinc/49/76/74/1095497674.db2.gz ANRDHJQPLMBYJN-AWEZNQCLSA-N -1 0 337.331 2.551 20 30 EFEDRM N#Cc1c(COC(=O)CCCC2CCOCC2)cccc1C(=O)[O-] ZINC001601083916 1095497888 /nfs/dbraw/zinc/49/78/88/1095497888.db2.gz XUTPHKLVCRJUEB-UHFFFAOYSA-N -1 0 331.368 2.897 20 30 EFEDRM N#Cc1c(COC(=O)C[C@@H]2CC[C@H](C3CC3)O2)cccc1C(=O)[O-] ZINC001601083671 1095498117 /nfs/dbraw/zinc/49/81/17/1095498117.db2.gz NGMBCPXHOQRLRD-XJKSGUPXSA-N -1 0 329.352 2.647 20 30 EFEDRM N#Cc1c(COC(=O)[C@@H]2CCc3ccccc3O2)cccc1C(=O)[O-] ZINC001601083922 1095498184 /nfs/dbraw/zinc/49/81/84/1095498184.db2.gz YAGFFANDNDRQKJ-KRWDZBQOSA-N -1 0 337.331 2.693 20 30 EFEDRM N#Cc1c2c(cn(Cc3ccc(C(=O)[O-])c(Cl)c3)c1=O)CCC2 ZINC001601084001 1095498240 /nfs/dbraw/zinc/49/82/40/1095498240.db2.gz CFJYGDAXZPNEIS-UHFFFAOYSA-N -1 0 328.755 2.609 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC001601085576 1095499047 /nfs/dbraw/zinc/49/90/47/1095499047.db2.gz DEZGDGUOENOSEK-CQSZACIVSA-N -1 0 332.718 2.906 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cs1 ZINC001601085552 1095499086 /nfs/dbraw/zinc/49/90/86/1095499086.db2.gz BWAZROLLJNMKQP-UHFFFAOYSA-N -1 0 344.392 2.793 20 30 EFEDRM N#Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1Cl ZINC001601085641 1095499125 /nfs/dbraw/zinc/49/91/25/1095499125.db2.gz GTSRRUDCJDQJHA-MRXNPFEDSA-N -1 0 340.766 2.863 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(CC(=O)c2csc3ccccc32)c1=O ZINC001601086258 1095499211 /nfs/dbraw/zinc/49/92/11/1095499211.db2.gz GHHWEXBZQRXJMP-UHFFFAOYSA-N -1 0 338.344 2.516 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])co1 ZINC001601085853 1095499330 /nfs/dbraw/zinc/49/93/30/1095499330.db2.gz OKXAJXJFPDTWJO-INIZCTEOSA-N -1 0 348.358 2.978 20 30 EFEDRM N#Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)ccn1 ZINC001601086439 1095499348 /nfs/dbraw/zinc/49/93/48/1095499348.db2.gz QHOFCHWNYGYEEU-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001601086687 1095499428 /nfs/dbraw/zinc/49/94/28/1095499428.db2.gz DXMORBRBHJFKRM-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CCC[C@H](c3ccccc3)O2)c1=O ZINC001601086947 1095499473 /nfs/dbraw/zinc/49/94/73/1095499473.db2.gz CCZZDLMQFDWKFH-DLBZAZTESA-N -1 0 338.363 2.729 20 30 EFEDRM N#Cc1cc(C(=O)NCc2ccccc2CC(=O)[O-])ccc1Cl ZINC001601085989 1095499490 /nfs/dbraw/zinc/49/94/90/1095499490.db2.gz SLSZYOATKSJXPL-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1cc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC001601087983 1095500372 /nfs/dbraw/zinc/50/03/72/1095500372.db2.gz UCTUBKNQKZFPKP-OAHLLOKOSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1cc(NCc2ccoc2C(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001601088837 1095501011 /nfs/dbraw/zinc/50/10/11/1095501011.db2.gz GQLDTIHSEJUETD-UHFFFAOYSA-N -1 0 338.279 2.918 20 30 EFEDRM N#Cc1cc(F)cc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001601089656 1095502197 /nfs/dbraw/zinc/50/21/97/1095502197.db2.gz PNBNGHDQJLXSCQ-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1cc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(F)cc1F ZINC001601090558 1095502489 /nfs/dbraw/zinc/50/24/89/1095502489.db2.gz HQUJSBARCNMBDW-LBPRGKRZSA-N -1 0 345.305 2.826 20 30 EFEDRM N#Cc1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)nc2ccccc12 ZINC001601090016 1095502603 /nfs/dbraw/zinc/50/26/03/1095502603.db2.gz DQSJVMUBQJDJPX-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])[nH]1 ZINC001601091925 1095502683 /nfs/dbraw/zinc/50/26/83/1095502683.db2.gz HFYSHAGKOCWEPC-MRXNPFEDSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc(N2CCc3[nH]nc(C(=O)[O-])c3C2)ccc1C(F)(F)F ZINC001601089997 1095502910 /nfs/dbraw/zinc/50/29/10/1095502910.db2.gz BYMCBKGVTARBBH-UHFFFAOYSA-N -1 0 336.273 2.561 20 30 EFEDRM N#Cc1cc2c(nc1N1CCC(c3cc(C(=O)[O-])on3)CC1)CCC2 ZINC001601091441 1095502983 /nfs/dbraw/zinc/50/29/83/1095502983.db2.gz KZYSRFKVTBVMOS-UHFFFAOYSA-N -1 0 338.367 2.512 20 30 EFEDRM N#Cc1ccc(-c2nnc(CN[C@H](C(=O)[O-])C3CCCCC3)o2)cc1 ZINC001601092457 1095503632 /nfs/dbraw/zinc/50/36/32/1095503632.db2.gz HDVRFKWRYVAUKZ-INIZCTEOSA-N -1 0 340.383 2.731 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC001601094111 1095504710 /nfs/dbraw/zinc/50/47/10/1095504710.db2.gz NGOPVUIQZCSPKJ-LBPRGKRZSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001601095515 1095505492 /nfs/dbraw/zinc/50/54/92/1095505492.db2.gz TVOJYPVUGTXBPW-NEPJUHHUSA-N -1 0 330.331 2.664 20 30 EFEDRM N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)nc1 ZINC001601094622 1095505864 /nfs/dbraw/zinc/50/58/64/1095505864.db2.gz PKJLPSNZZOSDMS-CYBMUJFWSA-N -1 0 334.690 2.728 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccc(Cl)nc2)C(=O)[O-])cc1 ZINC001601095773 1095506575 /nfs/dbraw/zinc/50/65/75/1095506575.db2.gz BYOAQZGBAOGKHQ-YCOJEUHLSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccnc(Cl)c2)C(=O)[O-])cc1 ZINC001601095733 1095507119 /nfs/dbraw/zinc/50/71/19/1095507119.db2.gz ANYRBSFCNRAWSH-GIZXNFQBSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CSC[C@H]2CCCCO2)C(=O)[O-])cc1 ZINC001601095826 1095507277 /nfs/dbraw/zinc/50/72/77/1095507277.db2.gz DDZVAABILSFVCI-GDBMZVCRSA-N -1 0 349.408 2.529 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCCCC(=O)C2)C(=O)[O-])cc1 ZINC001601096162 1095508262 /nfs/dbraw/zinc/50/82/62/1095508262.db2.gz POFCEXQRACTZHL-GDBMZVCRSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CC(=O)c3ccccc32)C(=O)[O-])cc1 ZINC001601096118 1095508748 /nfs/dbraw/zinc/50/87/48/1095508748.db2.gz OILPPXLTBWSMKQ-DOTOQJQBSA-N -1 0 335.315 2.597 20 30 EFEDRM N#Cc1ccc(CCSCc2noc(CCCC(=O)[O-])n2)cc1 ZINC001601098242 1095509457 /nfs/dbraw/zinc/50/94/57/1095509457.db2.gz UXZAVAKQDSMCQW-UHFFFAOYSA-N -1 0 331.397 2.824 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccnn2CC2CCC2)C(=O)[O-])cc1 ZINC001601099037 1095510158 /nfs/dbraw/zinc/51/01/58/1095510158.db2.gz HMKVCLGBPAZSCQ-MRXNPFEDSA-N -1 0 339.351 2.538 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001601098657 1095510381 /nfs/dbraw/zinc/51/03/81/1095510381.db2.gz UULZXSOUDJPOOQ-INIZCTEOSA-N -1 0 343.427 2.816 20 30 EFEDRM N#Cc1ccc(CCNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001601097408 1095510460 /nfs/dbraw/zinc/51/04/60/1095510460.db2.gz DWSWDAUBGFPSQH-UHFFFAOYSA-N -1 0 347.374 2.570 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCc4cc(C(=O)[O-])ccc43)CC2)cc1 ZINC001601098848 1095510561 /nfs/dbraw/zinc/51/05/61/1095510561.db2.gz FGHXSSXZIPWIRY-UHFFFAOYSA-N -1 0 332.359 2.877 20 30 EFEDRM N#Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001601100327 1095511917 /nfs/dbraw/zinc/51/19/17/1095511917.db2.gz YMHPULKIUOUTTC-GOSISDBHSA-N -1 0 336.391 2.693 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3ccnc3)cc2)C(=O)[O-])cc1 ZINC001601099350 1095511986 /nfs/dbraw/zinc/51/19/86/1095511986.db2.gz NLBGUDXUWOOYPP-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2ncc3c(n2)CCCC3=O)C(=O)[O-])cc1 ZINC001601099453 1095512028 /nfs/dbraw/zinc/51/20/28/1095512028.db2.gz PPPOVIXYWVGAHO-OAHLLOKOSA-N -1 0 339.376 2.785 20 30 EFEDRM N#Cc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(Cl)c1 ZINC001601100945 1095513058 /nfs/dbraw/zinc/51/30/58/1095513058.db2.gz RUBONOLANZGWEF-UHFFFAOYSA-N -1 0 348.830 2.793 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001601103267 1095513583 /nfs/dbraw/zinc/51/35/83/1095513583.db2.gz KPRMWKALFSDMAL-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601103105 1095513923 /nfs/dbraw/zinc/51/39/23/1095513923.db2.gz CRFNQKNZOBGMBY-ZDUSSCGKSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1ccc(Cl)cc1OC[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001601103806 1095514828 /nfs/dbraw/zinc/51/48/28/1095514828.db2.gz OTQLLIASWXKYSW-AWEZNQCLSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001601105385 1095514978 /nfs/dbraw/zinc/51/49/78/1095514978.db2.gz WSXMEMZWRYOQAS-BHYGNILZSA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001601103660 1095514989 /nfs/dbraw/zinc/51/49/89/1095514989.db2.gz VFESRQOSFRSNDK-CABCVRRESA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001601103663 1095514999 /nfs/dbraw/zinc/51/49/99/1095514999.db2.gz VFESRQOSFRSNDK-LSDHHAIUSA-N -1 0 333.409 2.978 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(/C=C/C(=O)[O-])o3)CC2)cc1 ZINC001601106079 1095515063 /nfs/dbraw/zinc/51/50/63/1095515063.db2.gz NPPWLPSLJNUWEU-BQYQJAHWSA-N -1 0 337.379 2.571 20 30 EFEDRM N#Cc1ccc(Cl)cc1OC[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001601103807 1095515186 /nfs/dbraw/zinc/51/51/86/1095515186.db2.gz OTQLLIASWXKYSW-CQSZACIVSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC001601105923 1095515219 /nfs/dbraw/zinc/51/52/19/1095515219.db2.gz HYHAXTKFFUZFKH-LSDHHAIUSA-N -1 0 326.327 2.708 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001601105969 1095515323 /nfs/dbraw/zinc/51/53/23/1095515323.db2.gz LYSSLQAIGZAGME-UHFFFAOYSA-N -1 0 327.315 2.760 20 30 EFEDRM N#Cc1ccc(F)c(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001601105742 1095515370 /nfs/dbraw/zinc/51/53/70/1095515370.db2.gz GZVFXBNVVIELFV-UHFFFAOYSA-N -1 0 339.326 2.986 20 30 EFEDRM N#Cc1ccc(Cn2cc(NCc3ncc(C(=O)[O-])s3)cn2)cc1 ZINC001601103899 1095515426 /nfs/dbraw/zinc/51/54/26/1095515426.db2.gz UJLTYEVQIFNNPR-UHFFFAOYSA-N -1 0 339.380 2.570 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(Cl)c1 ZINC001601107338 1095515990 /nfs/dbraw/zinc/51/59/90/1095515990.db2.gz JZUYXIQMJFIFFY-ZBEGNZNMSA-N -1 0 333.775 2.930 20 30 EFEDRM N#Cc1ccc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001601108016 1095516002 /nfs/dbraw/zinc/51/60/02/1095516002.db2.gz XJPOZQZQSJJCHT-CYBMUJFWSA-N -1 0 343.314 2.961 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC001601108815 1095516028 /nfs/dbraw/zinc/51/60/28/1095516028.db2.gz UMRBNNVNBRDXIT-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM N#Cc1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1C(F)(F)F ZINC001601107085 1095516074 /nfs/dbraw/zinc/51/60/74/1095516074.db2.gz ADFYQHHTSXYQHF-UHFFFAOYSA-N -1 0 327.262 2.706 20 30 EFEDRM N#Cc1ccc(NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001601107782 1095516574 /nfs/dbraw/zinc/51/65/74/1095516574.db2.gz KKNDJRDKDMSZQW-AWEZNQCLSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1ccc(OC2CCC(Nc3ncc(C(=O)[O-])s3)CC2)nc1 ZINC001601109284 1095516894 /nfs/dbraw/zinc/51/68/94/1095516894.db2.gz MKZIJQMFWOXRQO-UHFFFAOYSA-N -1 0 344.396 2.910 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)c(Cl)c1 ZINC001601107304 1095517068 /nfs/dbraw/zinc/51/70/68/1095517068.db2.gz JFGJZTZTEWWKGB-DEKYYXRVSA-N -1 0 333.775 2.832 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC001601110636 1095517875 /nfs/dbraw/zinc/51/78/75/1095517875.db2.gz CDZBNJSTDAWAHP-YPMHNXCESA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001601109512 1095518064 /nfs/dbraw/zinc/51/80/64/1095518064.db2.gz BFDZGFZUNFKTHY-UHFFFAOYSA-N -1 0 329.352 2.515 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001601110087 1095518473 /nfs/dbraw/zinc/51/84/73/1095518473.db2.gz HDHQCDGJLVFGLR-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccc(SCCCN2C(=O)CS/C2=C\C(=O)[O-])cc1 ZINC001601113399 1095518758 /nfs/dbraw/zinc/51/87/58/1095518758.db2.gz BSJIKJUVSOJOOS-ZSOIEALJSA-N -1 0 334.422 2.542 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C2 ZINC001601114209 1095519565 /nfs/dbraw/zinc/51/95/65/1095519565.db2.gz ODGGSMOSXHKEID-CQSZACIVSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001601113924 1095519682 /nfs/dbraw/zinc/51/96/82/1095519682.db2.gz DPVCTRMTUSUTAT-SFHVURJKSA-N -1 0 334.375 2.993 20 30 EFEDRM N#Cc1ccc(SCCn2cc(C(=O)[O-])nn2)cc1C(F)(F)F ZINC001601113503 1095519708 /nfs/dbraw/zinc/51/97/08/1095519708.db2.gz IGJUHGCEVNGYIZ-UHFFFAOYSA-N -1 0 342.302 2.659 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3CC(=O)[O-])n2)c1 ZINC001601115578 1095519983 /nfs/dbraw/zinc/51/99/83/1095519983.db2.gz YCNKUIOXZCLDQC-UHFFFAOYSA-N -1 0 346.346 2.623 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001601113975 1095520372 /nfs/dbraw/zinc/52/03/72/1095520372.db2.gz GSUIHTJRFJOQLZ-UHFFFAOYSA-N -1 0 341.298 2.866 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccccc2Cl)c(C(=O)[O-])c1 ZINC001601113623 1095520456 /nfs/dbraw/zinc/52/04/56/1095520456.db2.gz PLRCPCFQFZCCRK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)NCc3ccccc3C(=O)[O-])on2)c1 ZINC001601116097 1095521216 /nfs/dbraw/zinc/52/12/16/1095521216.db2.gz KJBWMUZKJVUOQZ-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM N#Cc1ccc2ncc(/C=C3\C(=O)Nc4cc(F)c(C(=O)[O-])cc43)n2c1 ZINC001601116226 1095521910 /nfs/dbraw/zinc/52/19/10/1095521910.db2.gz OZISTRZUGYUNRG-BASWHVEKSA-N -1 0 348.293 2.536 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2Cc3ccc(F)cc32)C(=O)[O-])c1 ZINC001601119303 1095523174 /nfs/dbraw/zinc/52/31/74/1095523174.db2.gz XMKMVMYYDUIUKL-JKSUJKDBSA-N -1 0 325.295 2.706 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2coc3c2C(=O)CCC3)C(=O)[O-])c1 ZINC001601120143 1095524997 /nfs/dbraw/zinc/52/49/97/1095524997.db2.gz JMJJQDBSEOFFPH-INIZCTEOSA-N -1 0 339.303 2.653 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCOc3cccc(F)c3C2)c1 ZINC001601119706 1095525398 /nfs/dbraw/zinc/52/53/98/1095525398.db2.gz WSNIOYQWQOHTEY-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cccc([C@H]2CN(Cc3ccc(/C=C/C(=O)[O-])o3)CCO2)c1 ZINC001601120054 1095526060 /nfs/dbraw/zinc/52/60/60/1095526060.db2.gz GLACPZJPQPTZQA-IPLHWJFFSA-N -1 0 338.363 2.823 20 30 EFEDRM N#Cc1cccc(COC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001601122699 1095526696 /nfs/dbraw/zinc/52/66/96/1095526696.db2.gz FSKATHRFRRPFET-UHFFFAOYSA-N -1 0 334.331 2.955 20 30 EFEDRM N#Cc1cccc(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001601123105 1095526775 /nfs/dbraw/zinc/52/67/75/1095526775.db2.gz XGQXTPWQLNIFPI-KRWDZBQOSA-N -1 0 348.358 2.659 20 30 EFEDRM N#Cc1cccc(OCC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001601121342 1095527156 /nfs/dbraw/zinc/52/71/56/1095527156.db2.gz IWQSAWRWULQFDD-UHFFFAOYSA-N -1 0 331.711 2.894 20 30 EFEDRM N#Cc1cccc(CNC(=O)COc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001601123166 1095527776 /nfs/dbraw/zinc/52/77/76/1095527776.db2.gz MJUSWFVCLMGWKR-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601124663 1095528511 /nfs/dbraw/zinc/52/85/11/1095528511.db2.gz QJHACXJHDYYVLO-ZJUUUORDSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601124611 1095529220 /nfs/dbraw/zinc/52/92/20/1095529220.db2.gz VKAWMXYUIAOWKB-CQSZACIVSA-N -1 0 336.338 2.800 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001601124318 1095529411 /nfs/dbraw/zinc/52/94/11/1095529411.db2.gz KSCRUDTVCMRUGA-CQSZACIVSA-N -1 0 344.317 2.635 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001601124975 1095529628 /nfs/dbraw/zinc/52/96/28/1095529628.db2.gz AEMVGZTXIGVELJ-FVNWOWOISA-N -1 0 332.359 2.862 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001601126369 1095530450 /nfs/dbraw/zinc/53/04/50/1095530450.db2.gz WANYURHBPOJBOZ-RXQFDZFGSA-N -1 0 334.375 2.774 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001601125181 1095530463 /nfs/dbraw/zinc/53/04/63/1095530463.db2.gz CYDGEUGZMUHQNU-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1cncc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])n1 ZINC001601131006 1095532981 /nfs/dbraw/zinc/53/29/81/1095532981.db2.gz QQKLLXHZHKPINP-HNNXBMFYSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC001601133134 1095534219 /nfs/dbraw/zinc/53/42/19/1095534219.db2.gz MMZZWSIPLLYVBQ-JTQLQIEISA-N -1 0 344.321 2.620 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCc1cccc2c1OC(F)(F)O2 ZINC001601133332 1095534586 /nfs/dbraw/zinc/53/45/86/1095534586.db2.gz PSPYVDNOIMSGSF-UHFFFAOYSA-N -1 0 347.277 2.628 20 30 EFEDRM N#Cc1ncc(Br)cc1N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601134124 1095536062 /nfs/dbraw/zinc/53/60/62/1095536062.db2.gz JPBBGLMMSREKNB-MKHNBGRSSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(OC2CC2)c1F ZINC001601135053 1095536115 /nfs/dbraw/zinc/53/61/15/1095536115.db2.gz VRLYBTFXVZFIQW-UHFFFAOYSA-N -1 0 327.315 2.944 20 30 EFEDRM N#Cc1ncc(Br)cc1N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001601134125 1095536151 /nfs/dbraw/zinc/53/61/51/1095536151.db2.gz JPBBGLMMSREKNB-OYBPUVFXSA-N -1 0 336.189 2.627 20 30 EFEDRM N#Cc1sc(NCc2nc3cc(C(=O)[O-])ccc3[nH]2)nc1Cl ZINC001601136513 1095536161 /nfs/dbraw/zinc/53/61/61/1095536161.db2.gz RMKKJZJVDPKJPX-UHFFFAOYSA-N -1 0 333.760 2.855 20 30 EFEDRM N#Cc1nc(N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)ccc1Cl ZINC001601134072 1095536461 /nfs/dbraw/zinc/53/64/61/1095536461.db2.gz GRXQRQBKPKGRCO-QWHCGFSZSA-N -1 0 343.770 2.617 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1nc(-c2ccncc2)cs1 ZINC001601134615 1095536500 /nfs/dbraw/zinc/53/65/00/1095536500.db2.gz JFDQEHCVTJMYJF-UHFFFAOYSA-N -1 0 337.364 2.782 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cnn(Cc2ccccc2)c1 ZINC001601134526 1095536723 /nfs/dbraw/zinc/53/67/23/1095536723.db2.gz GQEFRKCGACHWSC-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1nc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC001601134110 1095536749 /nfs/dbraw/zinc/53/67/49/1095536749.db2.gz ILSZYUCSPVPLIA-JTQLQIEISA-N -1 0 341.751 2.751 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601136610 1095538530 /nfs/dbraw/zinc/53/85/30/1095538530.db2.gz WREJFVOSOQIPGI-UHFFFAOYSA-N -1 0 330.347 2.762 20 30 EFEDRM NC(=NOCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1cccs1 ZINC001601137247 1095538618 /nfs/dbraw/zinc/53/86/18/1095538618.db2.gz XZVBPXHADGDOGP-UHFFFAOYSA-N -1 0 343.364 2.938 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC001601224278 1095562847 /nfs/dbraw/zinc/56/28/47/1095562847.db2.gz RXKRLIPVCMAWKB-UHFFFAOYSA-N -1 0 334.253 2.789 20 30 EFEDRM O=C([O-])c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c[nH]1 ZINC001601616109 1095765887 /nfs/dbraw/zinc/76/58/87/1095765887.db2.gz WREDLGODTZIEFF-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000785243530 1095943825 /nfs/dbraw/zinc/94/38/25/1095943825.db2.gz PSJQPKHUVIPZNA-UHFFFAOYSA-N -1 0 343.420 2.535 20 30 EFEDRM O=C([O-])/C=C/c1ccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)o1 ZINC001601877433 1095949539 /nfs/dbraw/zinc/94/95/39/1095949539.db2.gz RPNVLSJDBWFKLF-UFVXJIOISA-N -1 0 332.381 2.880 20 30 EFEDRM O=C([O-])CCC[C@@H]1CCCC(N=Nc2ccc(-n3cccn3)nn2)C1 ZINC001601980813 1096004178 /nfs/dbraw/zinc/00/41/78/1096004178.db2.gz RXORCDZRPNWFJD-ZDUSSCGKSA-N -1 0 342.403 2.875 20 30 EFEDRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001602196715 1096113110 /nfs/dbraw/zinc/11/31/10/1096113110.db2.gz KVWOROZDLXBJEX-ROUUACIJSA-N -1 0 337.350 2.724 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1cn(-c2ccccc2)nn1 ZINC001602230039 1096128205 /nfs/dbraw/zinc/12/82/05/1096128205.db2.gz BUHYWMIVABKTIK-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM O=C([O-])c1cc(C=NNc2nc3cccnc3s2)n2c1CCCC2 ZINC001602256742 1096142894 /nfs/dbraw/zinc/14/28/94/1096142894.db2.gz JYJXLGDZGRWGSO-UHFFFAOYSA-N -1 0 341.396 2.973 20 30 EFEDRM O=C([O-])c1ccc(C=NNC[C@H]2CCSC2)c(Br)c1 ZINC001602331288 1096182169 /nfs/dbraw/zinc/18/21/69/1096182169.db2.gz ZCVCGBYULGKVOB-SECBINFHSA-N -1 0 343.246 2.824 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001602333350 1096183866 /nfs/dbraw/zinc/18/38/66/1096183866.db2.gz VYJWGAAUTKNBKL-UHFFFAOYSA-N -1 0 330.296 2.723 20 30 EFEDRM O=C([O-])c1cnc(C2CCN(C(=O)C#Cc3cccs3)CC2)s1 ZINC001602510840 1096274438 /nfs/dbraw/zinc/27/44/38/1096274438.db2.gz INPCXCIRHGXVLL-UHFFFAOYSA-N -1 0 346.433 2.661 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C/c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC001602533442 1096285678 /nfs/dbraw/zinc/28/56/78/1096285678.db2.gz DIBWCFQQNDFQHA-ZNNBYXKUSA-N -1 0 339.347 2.844 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C\c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC001602533440 1096285737 /nfs/dbraw/zinc/28/57/37/1096285737.db2.gz DIBWCFQQNDFQHA-GPCFVJJQSA-N -1 0 339.347 2.844 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)[nH]1 ZINC001602653270 1096339546 /nfs/dbraw/zinc/33/95/46/1096339546.db2.gz OJNBMMBYALPZBK-DUXPYHPUSA-N -1 0 334.378 2.715 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC001602670907 1096344968 /nfs/dbraw/zinc/34/49/68/1096344968.db2.gz LGRHRZQGLDLVNJ-XHSDSOJGSA-N -1 0 348.830 2.952 20 30 EFEDRM C#C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001602672404 1096345135 /nfs/dbraw/zinc/34/51/35/1096345135.db2.gz CKIHNANUPBCELE-DZGCQCFKSA-N -1 0 334.803 2.814 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001602672673 1096346078 /nfs/dbraw/zinc/34/60/78/1096346078.db2.gz GKOKBFWSRSMZST-MRXNPFEDSA-N -1 0 326.327 2.698 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC001602675092 1096346416 /nfs/dbraw/zinc/34/64/16/1096346416.db2.gz ZBMBYPCBASKZSV-CQSZACIVSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccccc1 ZINC001602674607 1096346547 /nfs/dbraw/zinc/34/65/47/1096346547.db2.gz TWOMUQDJNSOIQT-WIYYLYMNSA-N -1 0 348.402 2.799 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)(C)C ZINC001602674785 1096346804 /nfs/dbraw/zinc/34/68/04/1096346804.db2.gz VISZJAOXSPLWBD-OAGGEKHMSA-N -1 0 328.412 2.544 20 30 EFEDRM C#C[C@H]1CCCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001602677424 1096346846 /nfs/dbraw/zinc/34/68/46/1096346846.db2.gz XEEDQIXWRZBQNY-NEPJUHHUSA-N -1 0 334.347 2.555 20 30 EFEDRM C#C[C@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC001602678076 1096347377 /nfs/dbraw/zinc/34/73/77/1096347377.db2.gz HSYYZBCLUAQPNZ-NSHDSACASA-N -1 0 332.157 2.724 20 30 EFEDRM C#C[C@@H]1CCCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001602677427 1096348796 /nfs/dbraw/zinc/34/87/96/1096348796.db2.gz XEEDQIXWRZBQNY-VXGBXAGGSA-N -1 0 334.347 2.555 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC001602677942 1096348806 /nfs/dbraw/zinc/34/88/06/1096348806.db2.gz FWIGPQZZVSRYSY-MJBXVCDLSA-N -1 0 328.195 2.890 20 30 EFEDRM C#C[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1 ZINC001602677425 1096348872 /nfs/dbraw/zinc/34/88/72/1096348872.db2.gz XEEDQIXWRZBQNY-NWDGAFQWSA-N -1 0 334.347 2.555 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001602679543 1096348966 /nfs/dbraw/zinc/34/89/66/1096348966.db2.gz YEIMKHNOJBRYPS-MJBXVCDLSA-N -1 0 327.302 2.602 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001602684760 1096349319 /nfs/dbraw/zinc/34/93/19/1096349319.db2.gz FORGQXVNFIDCOK-OAHLLOKOSA-N -1 0 325.339 2.888 20 30 EFEDRM C#CCC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001602681178 1096349640 /nfs/dbraw/zinc/34/96/40/1096349640.db2.gz BXZRLFPUSMQDMF-LBPRGKRZSA-N -1 0 331.368 2.613 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC001602687842 1096349846 /nfs/dbraw/zinc/34/98/46/1096349846.db2.gz XTHABWBUWSNWOA-KGTBHZDVSA-N -1 0 345.704 2.878 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC=C ZINC001602683200 1096350080 /nfs/dbraw/zinc/35/00/80/1096350080.db2.gz KTTNXAWIPJYHQJ-KSSFIOAISA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC001602693556 1096351984 /nfs/dbraw/zinc/35/19/84/1096351984.db2.gz XRWWGTMLJLCGCA-ZDUSSCGKSA-N -1 0 344.754 2.734 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])CCC1 ZINC001602700088 1096353764 /nfs/dbraw/zinc/35/37/64/1096353764.db2.gz QAXCSJSIDSGFTH-UHFFFAOYSA-N -1 0 343.404 2.762 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1 ZINC001602708303 1096355146 /nfs/dbraw/zinc/35/51/46/1096355146.db2.gz MEXSQSOWLGWMIA-KBPBESRZSA-N -1 0 329.396 2.803 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602708502 1096355216 /nfs/dbraw/zinc/35/52/16/1096355216.db2.gz SMZAEPYNWDIWDH-KRWDZBQOSA-N -1 0 335.359 2.917 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC001602711641 1096355312 /nfs/dbraw/zinc/35/53/12/1096355312.db2.gz MFFNWEDMQHCEPP-UHFFFAOYSA-N -1 0 337.375 2.759 20 30 EFEDRM C#CCCCC(=O)Nc1ccc(Br)c(-c2nn[nH]n2)c1C ZINC001602706634 1096355512 /nfs/dbraw/zinc/35/55/12/1096355512.db2.gz XKBCNZCLBTWTQY-UHFFFAOYSA-N -1 0 348.204 2.680 20 30 EFEDRM C#CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCc2ccccc21 ZINC001602711700 1096355615 /nfs/dbraw/zinc/35/56/15/1096355615.db2.gz PPCCPEVHTJISPL-RYRKJORJSA-N -1 0 340.423 2.962 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001602730431 1096356303 /nfs/dbraw/zinc/35/63/03/1096356303.db2.gz IUUIQCARYOLTDB-OAHLLOKOSA-N -1 0 348.374 2.993 20 30 EFEDRM C#CCO[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001602726235 1096356436 /nfs/dbraw/zinc/35/64/36/1096356436.db2.gz MXADWGMDUUBMJY-HNNXBMFYSA-N -1 0 347.370 2.761 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001602720840 1096356586 /nfs/dbraw/zinc/35/65/86/1096356586.db2.gz IXPYFPXJJNIGIX-UHFFFAOYSA-N -1 0 338.363 2.817 20 30 EFEDRM C#CCON=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OCC)c1 ZINC001602730368 1096356631 /nfs/dbraw/zinc/35/66/31/1096356631.db2.gz DRVPFTHYQBMDRW-UHFFFAOYSA-N -1 0 343.335 2.939 20 30 EFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001602721047 1096357129 /nfs/dbraw/zinc/35/71/29/1096357129.db2.gz RRRKLECJTWBPCO-UHFFFAOYSA-N -1 0 343.404 2.517 20 30 EFEDRM C#CCN(Cc1ccc(C(=O)[O-])cc1Br)C1CSC1 ZINC001602719434 1096357365 /nfs/dbraw/zinc/35/73/65/1096357365.db2.gz LESKYOODVSDJFB-UHFFFAOYSA-N -1 0 340.242 2.698 20 30 EFEDRM C#CCOc1cccc(-c2noc([C@H]3CC[C@@H](CCC(=O)[O-])O3)n2)c1 ZINC001602734553 1096357874 /nfs/dbraw/zinc/35/78/74/1096357874.db2.gz YRQOVPGUFVIMIC-DZGCQCFKSA-N -1 0 342.351 2.834 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC001602738138 1096357978 /nfs/dbraw/zinc/35/79/78/1096357978.db2.gz LHMWBRWSLNAGQH-UHFFFAOYSA-N -1 0 330.361 2.989 20 30 EFEDRM C#CCOc1ccccc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001602734000 1096358017 /nfs/dbraw/zinc/35/80/17/1096358017.db2.gz DZWSDHROOPQNCS-UHFFFAOYSA-N -1 0 343.766 2.980 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001602734147 1096358218 /nfs/dbraw/zinc/35/82/18/1096358218.db2.gz MGMGBYWGPUHCBP-VMPITWQZSA-N -1 0 329.283 2.781 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001602743902 1096359661 /nfs/dbraw/zinc/35/96/61/1096359661.db2.gz YKEUVQYUPDNZOM-LJQANCHMSA-N -1 0 337.375 2.503 20 30 EFEDRM C#Cc1cccc(NC(=S)NC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001602743925 1096359721 /nfs/dbraw/zinc/35/97/21/1096359721.db2.gz ZHUCDQDIPLNIHU-UHFFFAOYSA-N -1 0 329.381 2.576 20 30 EFEDRM C#Cc1ccc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cn1 ZINC001602738709 1096360380 /nfs/dbraw/zinc/36/03/80/1096360380.db2.gz LGAUPARZQXECLT-HNNXBMFYSA-N -1 0 329.739 2.569 20 30 EFEDRM C=C(Br)Cn1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001602744512 1096361113 /nfs/dbraw/zinc/36/11/13/1096361113.db2.gz BXJORVQOBDWOPP-UHFFFAOYSA-N -1 0 328.210 2.764 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)OCC ZINC001602747458 1096361373 /nfs/dbraw/zinc/36/13/73/1096361373.db2.gz SCDAVCPZHWSTTF-CQSZACIVSA-N -1 0 349.383 2.856 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC001602748554 1096361963 /nfs/dbraw/zinc/36/19/63/1096361963.db2.gz BXIGLCIVVWAUFD-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001602750216 1096362667 /nfs/dbraw/zinc/36/26/67/1096362667.db2.gz PJBYDHFXNDBINP-CYBMUJFWSA-N -1 0 329.755 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)[O-] ZINC001602754322 1096362895 /nfs/dbraw/zinc/36/28/95/1096362895.db2.gz DZTKAIVIHOLVMW-ZDUSSCGKSA-N -1 0 333.775 2.675 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)[O-] ZINC001602750319 1096363140 /nfs/dbraw/zinc/36/31/40/1096363140.db2.gz QQYJLDPSKDESTI-MRXNPFEDSA-N -1 0 326.396 2.906 20 30 EFEDRM C=C(C)C[C@H](NC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1)C(=O)[O-] ZINC001602750828 1096363192 /nfs/dbraw/zinc/36/31/92/1096363192.db2.gz YTCAAAQWNWCWDQ-XOVSCCBYSA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC001602754754 1096363999 /nfs/dbraw/zinc/36/39/99/1096363999.db2.gz UEFSXNBMOSVFNH-NSHDSACASA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)CN(CC(=O)Nc1cccc(C(=O)[O-])n1)Cc1ccccc1 ZINC001602761220 1096364790 /nfs/dbraw/zinc/36/47/90/1096364790.db2.gz XEAVRSAVEFHXQK-UHFFFAOYSA-N -1 0 339.395 2.797 20 30 EFEDRM C=C(C)C[C@@H](Nc1nc(C2CC2)ncc1Br)C(=O)[O-] ZINC001602757382 1096365158 /nfs/dbraw/zinc/36/51/58/1096365158.db2.gz MWAPUMWMIOJECX-SNVBAGLBSA-N -1 0 326.194 2.948 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602755280 1096365277 /nfs/dbraw/zinc/36/52/77/1096365277.db2.gz NFOPIPUJSKJNQD-UZYOAWRESA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602765674 1096365633 /nfs/dbraw/zinc/36/56/33/1096365633.db2.gz GQNIIFQYLMGBSW-OLZOCXBDSA-N -1 0 336.436 2.641 20 30 EFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001602762059 1096365678 /nfs/dbraw/zinc/36/56/78/1096365678.db2.gz PRLVBKIKVQYRCQ-UHFFFAOYSA-N -1 0 348.399 2.535 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001602764855 1096366117 /nfs/dbraw/zinc/36/61/17/1096366117.db2.gz USYPVNQOGRKXOT-CJNGLKHVSA-N -1 0 348.399 2.500 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001602766079 1096366401 /nfs/dbraw/zinc/36/64/01/1096366401.db2.gz UNJNFRNTUGPFOC-SJCJKPOMSA-N -1 0 330.388 2.661 20 30 EFEDRM C=C(C)CN(CC)C(=O)CN[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001602762097 1096366429 /nfs/dbraw/zinc/36/64/29/1096366429.db2.gz RNWCFIJZKRUFCD-OAHLLOKOSA-N -1 0 342.798 2.619 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001602773295 1096367481 /nfs/dbraw/zinc/36/74/81/1096367481.db2.gz TUQGQWFKSKBYNF-WQVCFCJDSA-N -1 0 338.415 2.820 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602768365 1096367976 /nfs/dbraw/zinc/36/79/76/1096367976.db2.gz GUTVCRXOZWAVNV-STQMWFEESA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2cccc(Br)c2C1 ZINC001602779040 1096368876 /nfs/dbraw/zinc/36/88/76/1096368876.db2.gz ZPCNLQZEFZGJBS-UHFFFAOYSA-N -1 0 338.201 2.755 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC001602777958 1096369072 /nfs/dbraw/zinc/36/90/72/1096369072.db2.gz JOKCFXBMLNVOFQ-LLVKDONJSA-N -1 0 340.217 2.917 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001602782211 1096369870 /nfs/dbraw/zinc/36/98/70/1096369870.db2.gz KDCJPCQGEGIDQG-UHFFFAOYSA-N -1 0 325.286 2.594 20 30 EFEDRM C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001602786947 1096370086 /nfs/dbraw/zinc/37/00/86/1096370086.db2.gz RKDZVIPUMRXRHF-GFCCVEGCSA-N -1 0 328.420 2.781 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001602785719 1096370687 /nfs/dbraw/zinc/37/06/87/1096370687.db2.gz GUEJRQMIGRGKAE-ZIAGYGMSSA-N -1 0 332.400 2.660 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC001602785852 1096370725 /nfs/dbraw/zinc/37/07/25/1096370725.db2.gz MOMYTMHYOJNNAJ-ZDUSSCGKSA-N -1 0 336.363 2.776 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602786959 1096371049 /nfs/dbraw/zinc/37/10/49/1096371049.db2.gz RXEJQCPSKBMNAT-UHFFFAOYSA-N -1 0 328.420 2.610 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001602792278 1096371580 /nfs/dbraw/zinc/37/15/80/1096371580.db2.gz UFTLZXGAGIUQSS-UHFFFAOYSA-N -1 0 327.377 2.549 20 30 EFEDRM C=C1CCC(CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC001602791901 1096371719 /nfs/dbraw/zinc/37/17/19/1096371719.db2.gz DYJWKKXOIPLRIV-UHFFFAOYSA-N -1 0 332.400 2.809 20 30 EFEDRM C=C1CC(C)(C(=O)N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)C1 ZINC001602791611 1096372205 /nfs/dbraw/zinc/37/22/05/1096372205.db2.gz YAEKSYVRCNSKOS-UHFFFAOYSA-N -1 0 334.441 2.979 20 30 EFEDRM C=C(Cl)CNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001602791293 1096372257 /nfs/dbraw/zinc/37/22/57/1096372257.db2.gz JQCGNNNRQBKKLO-UHFFFAOYSA-N -1 0 325.773 2.569 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NCCCC(=O)[O-])s1 ZINC001602791259 1096372268 /nfs/dbraw/zinc/37/22/68/1096372268.db2.gz HZMNMTPLKCHTIR-UHFFFAOYSA-N -1 0 348.877 2.820 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001602792191 1096372583 /nfs/dbraw/zinc/37/25/83/1096372583.db2.gz QVFIHSRWWJFMQN-QZERPFSJSA-N -1 0 333.409 2.656 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001602807703 1096372941 /nfs/dbraw/zinc/37/29/41/1096372941.db2.gz UJLOSJDGPBYAHD-UHFFFAOYSA-N -1 0 331.416 2.840 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001602806210 1096372958 /nfs/dbraw/zinc/37/29/58/1096372958.db2.gz VEPPDYZAJURGJA-CYBMUJFWSA-N -1 0 335.201 2.928 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC001602803394 1096373734 /nfs/dbraw/zinc/37/37/34/1096373734.db2.gz BINDMHBQJRESNK-CQSZACIVSA-N -1 0 344.436 2.607 20 30 EFEDRM C=C[C@@H](C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001602803618 1096373849 /nfs/dbraw/zinc/37/38/49/1096373849.db2.gz FSFMQZNTEXAABE-SJORKVTESA-N -1 0 343.354 2.744 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001602807486 1096374014 /nfs/dbraw/zinc/37/40/14/1096374014.db2.gz MQAYFCUDTHAIIN-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=C[C@H](C(=O)[O-])N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001602804371 1096374237 /nfs/dbraw/zinc/37/42/37/1096374237.db2.gz NYSDWJMPKSUHFR-GXTWGEPZSA-N -1 0 331.441 2.614 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001602806211 1096374271 /nfs/dbraw/zinc/37/42/71/1096374271.db2.gz VEPPDYZAJURGJA-ZDUSSCGKSA-N -1 0 335.201 2.928 20 30 EFEDRM C=C[C@H](N[C@@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602817062 1096374714 /nfs/dbraw/zinc/37/47/14/1096374714.db2.gz UTSJKSDDIMDQEE-IRXDYDNUSA-N -1 0 327.380 2.543 20 30 EFEDRM C=C[C@H](Sc1nnc([C@H](CC)N(C)C)n1CCCC)C(=O)[O-] ZINC001602828633 1096377223 /nfs/dbraw/zinc/37/72/23/1096377223.db2.gz MHOQZVLSSRGBGL-RYUDHWBXSA-N -1 0 326.466 2.822 20 30 EFEDRM C=C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)[O-] ZINC001602828925 1096380029 /nfs/dbraw/zinc/38/00/29/1096380029.db2.gz RXFRCZRYZHRVQB-CQSZACIVSA-N -1 0 342.376 2.769 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001602836150 1096381200 /nfs/dbraw/zinc/38/12/00/1096381200.db2.gz HFZYRJJDGUEINQ-UHFFFAOYSA-N -1 0 329.393 2.713 20 30 EFEDRM C=CC[C@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)C(=O)[O-] ZINC001602845204 1096382312 /nfs/dbraw/zinc/38/23/12/1096382312.db2.gz LNEFATPUFIIKOT-DOMZBBRYSA-N -1 0 328.372 2.524 20 30 EFEDRM C=CC[C@@H](OC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C(=O)[O-] ZINC001602845365 1096383118 /nfs/dbraw/zinc/38/31/18/1096383118.db2.gz NGEKXYHBRTWUCH-CYBMUJFWSA-N -1 0 348.330 2.689 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccncc1 ZINC001602841937 1096383459 /nfs/dbraw/zinc/38/34/59/1096383459.db2.gz ANROVFCUJFZCJS-JQWIXIFHSA-N -1 0 346.412 2.914 20 30 EFEDRM C=CCC(F)(F)C(=O)O[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602842361 1096383482 /nfs/dbraw/zinc/38/34/82/1096383482.db2.gz HQOAEUXMWMAMLH-QMMMGPOBSA-N -1 0 347.339 2.836 20 30 EFEDRM C=CCC1(NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCC1 ZINC001602851697 1096384196 /nfs/dbraw/zinc/38/41/96/1096384196.db2.gz VNMJPJSGTVLQAI-UHFFFAOYSA-N -1 0 344.411 2.647 20 30 EFEDRM C=CCC1(C(=O)N[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)CCC1 ZINC001602850266 1096384218 /nfs/dbraw/zinc/38/42/18/1096384218.db2.gz VKIBAITYDJHNRB-HNNXBMFYSA-N -1 0 342.395 2.501 20 30 EFEDRM C=CC[C@@H](OC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001602848573 1096384571 /nfs/dbraw/zinc/38/45/71/1096384571.db2.gz DIUHLXBEIXOFGK-FRRDWIJNSA-N -1 0 341.404 2.642 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC001602851126 1096384876 /nfs/dbraw/zinc/38/48/76/1096384876.db2.gz AHTGTOQCPZXBKO-UHFFFAOYSA-N -1 0 345.367 2.830 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(CC)nc2onc(CCC)c21)C(=O)[O-] ZINC001602849830 1096384911 /nfs/dbraw/zinc/38/49/11/1096384911.db2.gz RPFRZYLRQAVBRT-CYBMUJFWSA-N -1 0 332.356 2.924 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C1 ZINC001602855278 1096385762 /nfs/dbraw/zinc/38/57/62/1096385762.db2.gz LLENWUCZUBVXQF-GFCCVEGCSA-N -1 0 341.404 2.809 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001602860761 1096387506 /nfs/dbraw/zinc/38/75/06/1096387506.db2.gz PCSYADWXZGBOPM-DGSCNEQVSA-N -1 0 336.432 2.539 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001602856738 1096387513 /nfs/dbraw/zinc/38/75/13/1096387513.db2.gz GQNNNJWCDOKFHY-UHFFFAOYSA-N -1 0 336.363 2.632 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001602859709 1096387605 /nfs/dbraw/zinc/38/76/05/1096387605.db2.gz GQDAAHDAFLKBRM-UHFFFAOYSA-N -1 0 337.358 2.834 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001602860673 1096387795 /nfs/dbraw/zinc/38/77/95/1096387795.db2.gz LMOXIPQMNSRJIH-CYBMUJFWSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001602860674 1096388201 /nfs/dbraw/zinc/38/82/01/1096388201.db2.gz LMOXIPQMNSRJIH-ZDUSSCGKSA-N -1 0 339.413 2.513 20 30 EFEDRM C=CCCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860581 1096388364 /nfs/dbraw/zinc/38/83/64/1096388364.db2.gz IFSRJRACBNUUHN-ZWKOTPCHSA-N -1 0 344.455 2.601 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602862483 1096388694 /nfs/dbraw/zinc/38/86/94/1096388694.db2.gz FPPGQUIMCYTNII-GUYCJALGSA-N -1 0 331.412 2.868 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC001602865604 1096388934 /nfs/dbraw/zinc/38/89/34/1096388934.db2.gz NEKOWPIIQSFOER-GFCCVEGCSA-N -1 0 340.807 2.686 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC001602862894 1096389648 /nfs/dbraw/zinc/38/96/48/1096389648.db2.gz JPZDPSHQNIAVCW-GXTWGEPZSA-N -1 0 337.803 2.817 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001602869507 1096389849 /nfs/dbraw/zinc/38/98/49/1096389849.db2.gz BWYTXBKGQACUGA-GFCCVEGCSA-N -1 0 332.312 2.880 20 30 EFEDRM C=CCCCCCCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001602870021 1096390087 /nfs/dbraw/zinc/39/00/87/1096390087.db2.gz HLFJVDCUKDNUAG-CYBMUJFWSA-N -1 0 334.420 2.852 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(N=S(C)(C)=O)c1)C(=O)[O-] ZINC001602870323 1096390102 /nfs/dbraw/zinc/39/01/02/1096390102.db2.gz GHSPYFWKBKWYIJ-CQSZACIVSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCCCn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602874874 1096390637 /nfs/dbraw/zinc/39/06/37/1096390637.db2.gz GZADQFTXEOSCEG-AWEZNQCLSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001602870774 1096390686 /nfs/dbraw/zinc/39/06/86/1096390686.db2.gz HOOGLOHPGQFLOU-AWEZNQCLSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1csc(-c2ccc(C)n2C)n1)C(=O)[O-] ZINC001602873526 1096390820 /nfs/dbraw/zinc/39/08/20/1096390820.db2.gz XGMYKTONGGGLKM-GFCCVEGCSA-N -1 0 347.440 2.996 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1csc(-c2ccc(C)n2C)n1)C(=O)[O-] ZINC001602873533 1096391016 /nfs/dbraw/zinc/39/10/16/1096391016.db2.gz XGMYKTONGGGLKM-LBPRGKRZSA-N -1 0 347.440 2.996 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)C(=O)[O-] ZINC001602871151 1096391067 /nfs/dbraw/zinc/39/10/67/1096391067.db2.gz KCRLHEROKQRLAJ-CQSZACIVSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCCOC)C(C)C ZINC001602887126 1096391400 /nfs/dbraw/zinc/39/14/00/1096391400.db2.gz IAOZKWTYEHIRSA-UHFFFAOYSA-N -1 0 336.388 2.838 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@@](C)(CCC)C(=O)[O-])cc1 ZINC001602881092 1096391417 /nfs/dbraw/zinc/39/14/17/1096391417.db2.gz RXDDUAUQESNSDX-INIZCTEOSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCCSCCNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001602881188 1096391499 /nfs/dbraw/zinc/39/14/99/1096391499.db2.gz VJMWURMLYFQNPY-UHFFFAOYSA-N -1 0 348.428 2.552 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N[C@](C)(CCC)C(=O)[O-])cc1 ZINC001602881093 1096391622 /nfs/dbraw/zinc/39/16/22/1096391622.db2.gz RXDDUAUQESNSDX-MRXNPFEDSA-N -1 0 325.430 2.727 20 30 EFEDRM C=CCN(C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)C1CC1 ZINC001602887096 1096392310 /nfs/dbraw/zinc/39/23/10/1096392310.db2.gz GBKQCMTZSKYYDQ-UHFFFAOYSA-N -1 0 332.356 2.728 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)[C@@H](C)COC ZINC001602887518 1096392348 /nfs/dbraw/zinc/39/23/48/1096392348.db2.gz ZDWKFUCYZRIIAZ-LBPRGKRZSA-N -1 0 335.404 2.506 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001602894052 1096392922 /nfs/dbraw/zinc/39/29/22/1096392922.db2.gz RGORPGYBHWFODH-UHFFFAOYSA-N -1 0 332.356 2.820 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001602894452 1096393516 /nfs/dbraw/zinc/39/35/16/1096393516.db2.gz CZLFKJLQJQHSTO-UHFFFAOYSA-N -1 0 346.412 2.809 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001602894787 1096393930 /nfs/dbraw/zinc/39/39/30/1096393930.db2.gz YQJACQBBRWUCPT-UHFFFAOYSA-N -1 0 347.440 2.991 20 30 EFEDRM CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC001602908408 1096396926 /nfs/dbraw/zinc/39/69/26/1096396926.db2.gz WEQZFOAMJNCELM-OCCSQVGLSA-N -1 0 342.403 2.792 20 30 EFEDRM C=CCNc1nnc(SCC(=O)C(CC)(CC)C(=O)[O-])s1 ZINC001602907107 1096397538 /nfs/dbraw/zinc/39/75/38/1096397538.db2.gz XKYOMRZQKQJMQW-UHFFFAOYSA-N -1 0 329.447 2.688 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(OC(F)F)cc2)o1 ZINC001602912493 1096398922 /nfs/dbraw/zinc/39/89/22/1096398922.db2.gz RRLJEDWLUQRTSK-UHFFFAOYSA-N -1 0 349.301 2.601 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(O)ccc2F)o1 ZINC001602912675 1096399947 /nfs/dbraw/zinc/39/99/47/1096399947.db2.gz VWWKWWNCUHRRIH-UHFFFAOYSA-N -1 0 345.338 2.659 20 30 EFEDRM Cc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c(C)n1 ZINC001602911746 1096400234 /nfs/dbraw/zinc/40/02/34/1096400234.db2.gz IKOVEJYEZQPHJH-UHFFFAOYSA-N -1 0 340.391 2.826 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC001602921911 1096400903 /nfs/dbraw/zinc/40/09/03/1096400903.db2.gz XCPWHTJYRKDRQD-UHFFFAOYSA-N -1 0 339.413 2.638 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001602922215 1096401159 /nfs/dbraw/zinc/40/11/59/1096401159.db2.gz UTENKYCUWMJMFR-LLVKDONJSA-N -1 0 349.280 2.813 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(C)nc(C)n1 ZINC001602925947 1096401212 /nfs/dbraw/zinc/40/12/12/1096401212.db2.gz ILEAAJRJJFFYIG-UHFFFAOYSA-N -1 0 342.351 2.748 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001602922176 1096401292 /nfs/dbraw/zinc/40/12/92/1096401292.db2.gz RJMMWTWOHBGTAO-UHFFFAOYSA-N -1 0 329.356 2.520 20 30 EFEDRM C=CCOc1ccc(C(=O)OCc2ccoc2C(=O)[O-])cc1OC ZINC001602922041 1096401389 /nfs/dbraw/zinc/40/13/89/1096401389.db2.gz JLGIMVOOJCOFOX-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCOc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001602921764 1096401458 /nfs/dbraw/zinc/40/14/58/1096401458.db2.gz QHJORQVAYZMSQW-UHFFFAOYSA-N -1 0 329.312 2.865 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001602921574 1096401513 /nfs/dbraw/zinc/40/15/13/1096401513.db2.gz BOJMNGLIZMOGTL-KXBFYZLASA-N -1 0 344.411 2.648 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001602930705 1096402375 /nfs/dbraw/zinc/40/23/75/1096402375.db2.gz AXBODOVQGLLHRM-JTQLQIEISA-N -1 0 328.363 2.729 20 30 EFEDRM C=CCc1cc(CNc2nccc(C(=O)[O-])n2)cc(OC)c1OC ZINC001602927012 1096402566 /nfs/dbraw/zinc/40/25/66/1096402566.db2.gz VUPNCHRQUZFBGC-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM C=CCn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602930223 1096402780 /nfs/dbraw/zinc/40/27/80/1096402780.db2.gz QEUFXNJKMFINDH-KRWDZBQOSA-N -1 0 330.363 2.571 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CC)C(C)(C)C(=O)[O-])c(OC)c1 ZINC001602927055 1096402869 /nfs/dbraw/zinc/40/28/69/1096402869.db2.gz YIMPCBIZYZMRMC-UHFFFAOYSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCn1c([C@H](C)SC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602931020 1096402985 /nfs/dbraw/zinc/40/29/85/1096402985.db2.gz JAGGMBIDMSZCNF-LBPRGKRZSA-N -1 0 338.477 2.969 20 30 EFEDRM C=CCn1c(S[C@H](C(=O)[O-])[C@H](C)CC)nnc1-c1cnccn1 ZINC001602936759 1096403430 /nfs/dbraw/zinc/40/34/30/1096403430.db2.gz DXAXYCJRBSPGTH-PWSUYJOCSA-N -1 0 333.417 2.513 20 30 EFEDRM C=CCn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001602937254 1096403922 /nfs/dbraw/zinc/40/39/22/1096403922.db2.gz SFZFPBYLTPEGDE-CQSZACIVSA-N -1 0 345.447 2.737 20 30 EFEDRM C=CCn1c(CC(F)F)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001602935441 1096404241 /nfs/dbraw/zinc/40/42/41/1096404241.db2.gz LJTCGZFOWDIYFW-UHFFFAOYSA-N -1 0 348.353 2.533 20 30 EFEDRM CC#CCCCC(=O)N(c1nc(CC(=O)[O-])cs1)N1CCCCC1 ZINC001602946683 1096405259 /nfs/dbraw/zinc/40/52/59/1096405259.db2.gz BMANVRNWDCEFOK-UHFFFAOYSA-N -1 0 349.456 2.698 20 30 EFEDRM C/C(=C/CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)C(=O)[O-] ZINC001602967945 1096409145 /nfs/dbraw/zinc/40/91/45/1096409145.db2.gz MMYXPUSDIPPECJ-ZSOIEALJSA-N -1 0 329.400 2.757 20 30 EFEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001602992250 1096418199 /nfs/dbraw/zinc/41/81/99/1096418199.db2.gz OZFLCFXLFUABCY-UHFFFAOYSA-N -1 0 346.408 2.933 20 30 EFEDRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC001603102981 1096442686 /nfs/dbraw/zinc/44/26/86/1096442686.db2.gz GNDLFGGWSBYLJO-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001603131370 1096454428 /nfs/dbraw/zinc/45/44/28/1096454428.db2.gz AVAPBSQUMWPIDD-IJLUTSLNSA-N -1 0 333.413 2.781 20 30 EFEDRM C[C@@H](C#N)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001603130203 1096454556 /nfs/dbraw/zinc/45/45/56/1096454556.db2.gz SZXGAEHDCCINRT-QMMMGPOBSA-N -1 0 344.198 2.722 20 30 EFEDRM C[C@H](C#N)OCCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001603131535 1096454636 /nfs/dbraw/zinc/45/46/36/1096454636.db2.gz GCAQTOUBSZEZNS-SECBINFHSA-N -1 0 332.278 2.666 20 30 EFEDRM CC(C)(C#N)c1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001603230749 1096478928 /nfs/dbraw/zinc/47/89/28/1096478928.db2.gz YMDQQPACGQKAQK-CYBMUJFWSA-N -1 0 345.447 2.570 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603230329 1096479460 /nfs/dbraw/zinc/47/94/60/1096479460.db2.gz SKXAHCFWAWZFBM-GFCCVEGCSA-N -1 0 328.290 2.887 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NCc2cnc3c(C#N)cnn3c2)cc1 ZINC001603270752 1096491080 /nfs/dbraw/zinc/49/10/80/1096491080.db2.gz HMIDGOWSQHMNLZ-UHFFFAOYSA-N -1 0 335.367 2.575 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(CC#N)c2)n1 ZINC001603281718 1096494766 /nfs/dbraw/zinc/49/47/66/1096494766.db2.gz YNCOHMLMXQZRFS-UHFFFAOYSA-N -1 0 329.381 2.824 20 30 EFEDRM CC(C)(C)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001603302152 1096499063 /nfs/dbraw/zinc/49/90/63/1096499063.db2.gz FSGFUHMTUVIWSZ-UHFFFAOYSA-N -1 0 338.429 2.607 20 30 EFEDRM CC(C)(CC#N)CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001603575731 1096557232 /nfs/dbraw/zinc/55/72/32/1096557232.db2.gz DLAAHNXOLRRGOJ-UHFFFAOYSA-N -1 0 339.779 2.865 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001603661459 1096582933 /nfs/dbraw/zinc/58/29/33/1096582933.db2.gz RODJMDSGIWRHQB-CVEARBPZSA-N -1 0 343.427 2.822 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001603744448 1096610603 /nfs/dbraw/zinc/61/06/03/1096610603.db2.gz RPFAUDYQVBBBQS-AXHNFQJDSA-N -1 0 344.411 2.531 20 30 EFEDRM C[C@@H]1C[C@@H](CCNc2cnc(C#N)c(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001603850972 1096645565 /nfs/dbraw/zinc/64/55/65/1096645565.db2.gz OSSQMPNPSSSJBD-VXGBXAGGSA-N -1 0 340.435 2.793 20 30 EFEDRM CC(C)Cn1ccc2c1cccc2C(=O)N(CC#N)CCC(=O)[O-] ZINC001603859787 1096646608 /nfs/dbraw/zinc/64/66/08/1096646608.db2.gz QHIJZFOJZCAWOR-UHFFFAOYSA-N -1 0 327.384 2.738 20 30 EFEDRM CC(C)N(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001603877419 1096653789 /nfs/dbraw/zinc/65/37/89/1096653789.db2.gz POWDIPYNICRIEV-UHFFFAOYSA-N -1 0 346.408 2.851 20 30 EFEDRM CC(C)OCc1noc(CSCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001603929703 1096670918 /nfs/dbraw/zinc/67/09/18/1096670918.db2.gz YJPGTKVZYNVLHJ-UHFFFAOYSA-N -1 0 347.396 2.998 20 30 EFEDRM CC(C)Oc1c(NC(=O)NCC2(C#N)CCC2)cccc1C(=O)[O-] ZINC001603932813 1096672577 /nfs/dbraw/zinc/67/25/77/1096672577.db2.gz PTECDHVTXCSZGJ-UHFFFAOYSA-N -1 0 331.372 2.987 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1(C#N)CCOCC1 ZINC001603941484 1096675519 /nfs/dbraw/zinc/67/55/19/1096675519.db2.gz VDWONQFOXJFCIH-UHFFFAOYSA-N -1 0 346.383 2.821 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)cc1C#N ZINC001603944325 1096676861 /nfs/dbraw/zinc/67/68/61/1096676861.db2.gz OAKFGHONJOOBJT-UHFFFAOYSA-N -1 0 339.351 2.620 20 30 EFEDRM CC(C)c1sc(NC(=O)CC2(C#N)CCOCC2)nc1C(=O)[O-] ZINC001604029479 1096704154 /nfs/dbraw/zinc/70/41/54/1096704154.db2.gz MNVXNWKXGZUDBA-UHFFFAOYSA-N -1 0 337.401 2.614 20 30 EFEDRM C[C@H](CC#N)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001604060479 1096714963 /nfs/dbraw/zinc/71/49/63/1096714963.db2.gz MRQREWXKDBBQDQ-XLKFXECMSA-N -1 0 329.183 2.959 20 30 EFEDRM C[C@@H](CC#N)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001604059206 1096715099 /nfs/dbraw/zinc/71/50/99/1096715099.db2.gz BWGOQPIWXMUOON-JOYOIKCWSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@H](CC#N)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001604059205 1096715572 /nfs/dbraw/zinc/71/55/72/1096715572.db2.gz BWGOQPIWXMUOON-BXKDBHETSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@]1(C#N)CC2CCC1CC2)c1ccccn1 ZINC001604077180 1096721757 /nfs/dbraw/zinc/72/17/57/1096721757.db2.gz BITVCICHXNAELS-AREIWFIDSA-N -1 0 341.411 2.608 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)ccc1OCC#N ZINC001604113312 1096742699 /nfs/dbraw/zinc/74/26/99/1096742699.db2.gz REQNDJKPCBQRMV-JTQLQIEISA-N -1 0 325.748 2.786 20 30 EFEDRM C[C@H](NC(=O)C#Cc1cccs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604255594 1096787837 /nfs/dbraw/zinc/78/78/37/1096787837.db2.gz IXNCLBJKBWSZDB-BBRMVZONSA-N -1 0 327.405 2.548 20 30 EFEDRM C[C@@](NC(=O)[C@H](C#N)CCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001604263376 1096788648 /nfs/dbraw/zinc/78/86/48/1096788648.db2.gz TVBHBCLYVCQLHN-JXFKEZNVSA-N -1 0 336.391 2.875 20 30 EFEDRM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001604265948 1096790178 /nfs/dbraw/zinc/79/01/78/1096790178.db2.gz WPROYEKCZPUNBP-JTQLQIEISA-N -1 0 341.392 2.622 20 30 EFEDRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001604265418 1096790366 /nfs/dbraw/zinc/79/03/66/1096790366.db2.gz PLKMFTQDSBFOGE-WSXQUGQNSA-N -1 0 334.375 2.994 20 30 EFEDRM C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1ncc(C(=O)[O-])s1 ZINC001604305836 1096801233 /nfs/dbraw/zinc/80/12/33/1096801233.db2.gz CMNVFWWUEOLQSN-MRVPVSSYSA-N -1 0 340.364 2.685 20 30 EFEDRM C[C@](NC(=O)c1cn(CCCC#N)c2ccccc12)(C(=O)[O-])C1CC1 ZINC001604316342 1096805443 /nfs/dbraw/zinc/80/54/43/1096805443.db2.gz MUKRIHZYERXCBO-LJQANCHMSA-N -1 0 339.395 2.928 20 30 EFEDRM C[C@H](NC(=O)c1sccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001604320246 1096807062 /nfs/dbraw/zinc/80/70/62/1096807062.db2.gz WBHCNNFZYRXKQU-JTQLQIEISA-N -1 0 330.365 2.574 20 30 EFEDRM C[C@](O)(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001604367011 1096829640 /nfs/dbraw/zinc/82/96/40/1096829640.db2.gz IPTSTQKQUMHDPJ-HKUYNNGSSA-N -1 0 339.347 2.525 20 30 EFEDRM C[C@@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC001604426887 1096848069 /nfs/dbraw/zinc/84/80/69/1096848069.db2.gz JOEJYJJUWNWDID-GFCCVEGCSA-N -1 0 344.342 2.579 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-] ZINC001604453735 1096862908 /nfs/dbraw/zinc/86/29/08/1096862908.db2.gz DOELWYMOCLKGFH-LDYMZIIASA-N -1 0 346.330 2.826 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001604480651 1096874842 /nfs/dbraw/zinc/87/48/42/1096874842.db2.gz LIAKEKURNSQGGL-BXUZGUMPSA-N -1 0 343.408 2.847 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC001604482078 1096877019 /nfs/dbraw/zinc/87/70/19/1096877019.db2.gz FUMZTBHOTPDZCD-KBXCAEBGSA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@]1(C#N)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001604484257 1096879244 /nfs/dbraw/zinc/87/92/44/1096879244.db2.gz CZICDOWKVDQBCV-JSGCOSHPSA-N -1 0 329.183 2.734 20 30 EFEDRM CC1(C)CCC(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001604525537 1096892568 /nfs/dbraw/zinc/89/25/68/1096892568.db2.gz LWVCBZFGDLDZLP-UHFFFAOYSA-N -1 0 336.413 2.504 20 30 EFEDRM CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001604535771 1096897940 /nfs/dbraw/zinc/89/79/40/1096897940.db2.gz ANAFMTYVXFGLFD-CQSZACIVSA-N -1 0 336.413 2.504 20 30 EFEDRM CC1(C)Cc2cccc(/C=C3\CCn4nc(C(=O)[O-])cc4C3=O)c2O1 ZINC001604554908 1096902694 /nfs/dbraw/zinc/90/26/94/1096902694.db2.gz VOYCQKCYPQTKRH-DHZHZOJOSA-N -1 0 338.363 2.965 20 30 EFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001604636980 1096918848 /nfs/dbraw/zinc/91/88/48/1096918848.db2.gz LEXWEVFXZIWZPC-CHWSQXEVSA-N -1 0 338.411 2.783 20 30 EFEDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001604636985 1096919547 /nfs/dbraw/zinc/91/95/47/1096919547.db2.gz LEXWEVFXZIWZPC-OLZOCXBDSA-N -1 0 338.411 2.783 20 30 EFEDRM C[C@H]1CCCC[C@@H]1N(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001604723883 1096941140 /nfs/dbraw/zinc/94/11/40/1096941140.db2.gz FLXXWABKDSLKJX-BBRMVZONSA-N -1 0 332.400 2.772 20 30 EFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CC#Cc1ccccc1 ZINC001604811897 1096962201 /nfs/dbraw/zinc/96/22/01/1096962201.db2.gz XMSSXDDXPRYBEG-QGZVFWFLSA-N -1 0 334.419 2.947 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001604864467 1096972565 /nfs/dbraw/zinc/97/25/65/1096972565.db2.gz MBOGVQFQXKMEOS-CYBMUJFWSA-N -1 0 342.351 2.518 20 30 EFEDRM CC[C@@](NC(=O)Cc1ccccc1CC#N)(C(=O)[O-])c1ccccc1 ZINC001605085320 1097018650 /nfs/dbraw/zinc/01/86/50/1097018650.db2.gz PHKPZGUPRCEGJF-FQEVSTJZSA-N -1 0 336.391 2.801 20 30 EFEDRM CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605164617 1097039438 /nfs/dbraw/zinc/03/94/38/1097039438.db2.gz GDGAHSDNPAKYOE-TZMCWYRMSA-N -1 0 336.413 2.504 20 30 EFEDRM CCCC[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605252681 1097068735 /nfs/dbraw/zinc/06/87/35/1097068735.db2.gz YYCCNPCYQOVYEW-HNNXBMFYSA-N -1 0 327.340 2.544 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)c([O-])c1 ZINC001605255313 1097070321 /nfs/dbraw/zinc/07/03/21/1097070321.db2.gz KRDWWNJRBRCVCP-VMPITWQZSA-N -1 0 340.314 2.616 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001605266383 1097074748 /nfs/dbraw/zinc/07/47/48/1097074748.db2.gz GYBRXTPFRYHRAG-KBPBESRZSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCCOc1ccc(C(=O)N(CC#N)CCC(=O)[O-])c(Cl)c1 ZINC001605286551 1097082567 /nfs/dbraw/zinc/08/25/67/1097082567.db2.gz ZJKAJOAOYCDTLV-UHFFFAOYSA-N -1 0 338.791 2.959 20 30 EFEDRM CCCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H](C)C(=O)[O-] ZINC001605299081 1097087493 /nfs/dbraw/zinc/08/74/93/1097087493.db2.gz KENKMBNHNUYTMS-AWEZNQCLSA-N -1 0 332.400 2.819 20 30 EFEDRM CCCc1c(C(=O)NCc2ccc(CC#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC001605364246 1097105127 /nfs/dbraw/zinc/10/51/27/1097105127.db2.gz CYJCETZUONXBAP-UHFFFAOYSA-N -1 0 339.395 2.970 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)/C=C/c1ccccc1C#N ZINC001605631658 1097174517 /nfs/dbraw/zinc/17/45/17/1097174517.db2.gz YVADZGDVMKOHIX-BOLDSZDNSA-N -1 0 344.411 2.547 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001605631012 1097174649 /nfs/dbraw/zinc/17/46/49/1097174649.db2.gz MGQYHOXXUCCRML-OAHLLOKOSA-N -1 0 346.427 2.765 20 30 EFEDRM CCOc1c(Cl)cc(C=NOCC2(C(=O)[O-])CC2)cc1OC ZINC001605653971 1097180496 /nfs/dbraw/zinc/18/04/96/1097180496.db2.gz QXHNJRFUQJVWSW-UHFFFAOYSA-N -1 0 327.764 2.963 20 30 EFEDRM CCOc1ccc(NC(=O)Cc2ccc(C#N)cc2)c(C(=O)[O-])c1F ZINC001605693890 1097197759 /nfs/dbraw/zinc/19/77/59/1097197759.db2.gz FSGPKWLUIZOSHQ-UHFFFAOYSA-N -1 0 342.326 2.975 20 30 EFEDRM CCOc1ccc(S(=O)(=O)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001605699447 1097198538 /nfs/dbraw/zinc/19/85/38/1097198538.db2.gz CGSWRUZRUXGHBF-UHFFFAOYSA-N -1 0 345.376 2.629 20 30 EFEDRM Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc(-c2nn[nH]n2)c1 ZINC001605716259 1097205921 /nfs/dbraw/zinc/20/59/21/1097205921.db2.gz GVGLIDIOITWCRB-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM CCc1[nH]c(CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001605771629 1097221076 /nfs/dbraw/zinc/22/10/76/1097221076.db2.gz GFQKQGGNBIGVLJ-SFHVURJKSA-N -1 0 339.395 2.720 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC001605804094 1097232855 /nfs/dbraw/zinc/23/28/55/1097232855.db2.gz GZTSFJKYVJTRSN-SQNIBIBYSA-N -1 0 325.408 2.702 20 30 EFEDRM CCc1ccc(C#CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC001605804101 1097233104 /nfs/dbraw/zinc/23/31/04/1097233104.db2.gz HEUAHLZPAIKYHP-LJQANCHMSA-N -1 0 333.387 2.639 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)cc1 ZINC001605807646 1097233392 /nfs/dbraw/zinc/23/33/92/1097233392.db2.gz OQKUSBHYTNXXQG-IKGGRYGDSA-N -1 0 344.411 2.684 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1-c1nn[nH]n1 ZINC001605824268 1097238756 /nfs/dbraw/zinc/23/87/56/1097238756.db2.gz UVULYJJNZAKZMA-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CCc1nc(NC(=O)c2ccc(C=NOC)cc2)sc1C(=O)[O-] ZINC001605854563 1097253688 /nfs/dbraw/zinc/25/36/88/1097253688.db2.gz CGHOMGGFJPIKEF-UHFFFAOYSA-N -1 0 333.369 2.636 20 30 EFEDRM CCc1onc(C)c1CON=C(C)c1ccc(OCC(=O)[O-])cc1 ZINC001605896032 1097270300 /nfs/dbraw/zinc/27/03/00/1097270300.db2.gz AYUJBRKLJNFUTB-UHFFFAOYSA-N -1 0 332.356 2.950 20 30 EFEDRM CN(C(=O)CC(C)(C)C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001605957194 1097286212 /nfs/dbraw/zinc/28/62/12/1097286212.db2.gz KDDKTWMVQODKPF-CYBMUJFWSA-N -1 0 328.290 2.628 20 30 EFEDRM CN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1ccccc1C#N ZINC001605979914 1097291677 /nfs/dbraw/zinc/29/16/77/1097291677.db2.gz WXPSPUHWKJBNMB-UHFFFAOYSA-N -1 0 346.346 2.719 20 30 EFEDRM CN(C)C(=O)c1cc(F)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001606003272 1097294991 /nfs/dbraw/zinc/29/49/91/1097294991.db2.gz SCLDUPXVQBHHKB-UHFFFAOYSA-N -1 0 341.342 2.709 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)s1 ZINC001606053587 1097308283 /nfs/dbraw/zinc/30/82/83/1097308283.db2.gz YKVABLWPGUNGDX-UHFFFAOYSA-N -1 0 344.396 2.706 20 30 EFEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001606095217 1097317521 /nfs/dbraw/zinc/31/75/21/1097317521.db2.gz IGPVIRLCZOQOOB-LBPRGKRZSA-N -1 0 345.380 2.515 20 30 EFEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001606095216 1097317886 /nfs/dbraw/zinc/31/78/86/1097317886.db2.gz IGPVIRLCZOQOOB-GFCCVEGCSA-N -1 0 345.380 2.515 20 30 EFEDRM CN(C[C@H](O)c1cccc(C#N)c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001606096673 1097318428 /nfs/dbraw/zinc/31/84/28/1097318428.db2.gz ZJAZMSSFJYSCJA-JTQLQIEISA-N -1 0 337.788 2.536 20 30 EFEDRM CN(CCCOc1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001606126243 1097324340 /nfs/dbraw/zinc/32/43/40/1097324340.db2.gz QHNXBOGUWKCTQM-UHFFFAOYSA-N -1 0 340.379 2.927 20 30 EFEDRM CN(CCOc1cccc(Cl)c1)c1ccc(C(=O)[O-])nc1C#N ZINC001606138043 1097324953 /nfs/dbraw/zinc/32/49/53/1097324953.db2.gz CGDWOYKTMXWRKP-UHFFFAOYSA-N -1 0 331.759 2.820 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001606139415 1097326281 /nfs/dbraw/zinc/32/62/81/1097326281.db2.gz GTRVAOZJNBBDAD-UHFFFAOYSA-N -1 0 326.327 2.710 20 30 EFEDRM CN(Cc1ccnc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001606173500 1097338172 /nfs/dbraw/zinc/33/81/72/1097338172.db2.gz QYTXTFFGKMPLBX-HNNXBMFYSA-N -1 0 335.285 2.628 20 30 EFEDRM COC(=O)[C@H](Sc1cccnc1C#N)c1cccc(C(=O)[O-])c1 ZINC001606341510 1097388791 /nfs/dbraw/zinc/38/87/91/1097388791.db2.gz JSKZXODOMSKFOC-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001606343332 1097389260 /nfs/dbraw/zinc/38/92/60/1097389260.db2.gz YHGARKMLGATGMZ-CVEARBPZSA-N -1 0 344.411 2.595 20 30 EFEDRM N#Cc1nc(Oc2ccc(Cl)c(Cl)c2)cnc1-c1nnn[n-]1 ZINC001606397498 1097398392 /nfs/dbraw/zinc/39/83/92/1097398392.db2.gz QVVLHWZMODXBID-UHFFFAOYSA-N -1 0 334.126 2.627 20 30 EFEDRM N#Cc1ncc(N[C@@H]2CCC[C@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC001606398043 1097398585 /nfs/dbraw/zinc/39/85/85/1097398585.db2.gz ISHHWQOVIMHOCW-UONOGXRCSA-N -1 0 346.398 2.667 20 30 EFEDRM COC(=O)c1c(F)cccc1N=NCc1cccn1[C@@H](C)C(=O)[O-] ZINC001606526027 1097413544 /nfs/dbraw/zinc/41/35/44/1097413544.db2.gz GHANYIJFNAKMDL-JTQLQIEISA-N -1 0 333.319 2.505 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2cccc(C#N)c2C)c1 ZINC001606577181 1097421473 /nfs/dbraw/zinc/42/14/73/1097421473.db2.gz UBJOLOXKHYMJLH-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC(=O)c1ccc(Oc2ccc(C(=O)[O-])cc2Cl)c(C#N)n1 ZINC001606601756 1097427045 /nfs/dbraw/zinc/42/70/45/1097427045.db2.gz DNDWRGISVMJZEJ-UHFFFAOYSA-N -1 0 332.699 2.884 20 30 EFEDRM COC(=O)c1cccc([C@@H](Sc2ccncc2C#N)C(=O)[O-])c1 ZINC001606611745 1097428976 /nfs/dbraw/zinc/42/89/76/1097428976.db2.gz RUGIYGNVQUEQQM-CQSZACIVSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)c1cnc(C(C)=NNc2cccc(C(=O)[O-])c2C)s1 ZINC001606625381 1097431803 /nfs/dbraw/zinc/43/18/03/1097431803.db2.gz ILMJQFIJSUATOF-UHFFFAOYSA-N -1 0 333.369 2.772 20 30 EFEDRM COCCOCc1cc(C#N)ccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001606906695 1097470242 /nfs/dbraw/zinc/47/02/42/1097470242.db2.gz PUSBUXHYLKHCMX-OAHLLOKOSA-N -1 0 346.427 2.802 20 30 EFEDRM COCc1cc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc(C(=O)[O-])c1 ZINC001606947713 1097478106 /nfs/dbraw/zinc/47/81/06/1097478106.db2.gz NFESXVMJWKIUMS-DOMZBBRYSA-N -1 0 331.372 2.687 20 30 EFEDRM CON(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@@H](C)CC(=O)[O-] ZINC001606984031 1097489719 /nfs/dbraw/zinc/48/97/19/1097489719.db2.gz BMWORTHOAJEXDL-ZDUSSCGKSA-N -1 0 330.384 2.623 20 30 EFEDRM COc1cc(C#N)ccc1OCCSc1nc(C(=O)[O-])cs1 ZINC001607064990 1097503923 /nfs/dbraw/zinc/50/39/23/1097503923.db2.gz IIKQLECMEVEZJW-UHFFFAOYSA-N -1 0 336.394 2.893 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001607064935 1097504086 /nfs/dbraw/zinc/50/40/86/1097504086.db2.gz CTAAFEDFQWFHBW-UHFFFAOYSA-N -1 0 330.384 2.864 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001607065764 1097504094 /nfs/dbraw/zinc/50/40/94/1097504094.db2.gz YXGXSZLJCAOYJZ-UHFFFAOYSA-N -1 0 328.299 2.585 20 30 EFEDRM COc1cc(C#N)ccc1OCCOC(=O)c1ccc(C(=O)[O-])s1 ZINC001607064784 1097504124 /nfs/dbraw/zinc/50/41/24/1097504124.db2.gz BCAJYIZBTXGJEF-UHFFFAOYSA-N -1 0 347.348 2.562 20 30 EFEDRM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC001607073366 1097505754 /nfs/dbraw/zinc/50/57/54/1097505754.db2.gz DUTVYZNHETYLBF-YVEFUNNKSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1nc2c(cc1C#N)CCC2 ZINC001607121293 1097522693 /nfs/dbraw/zinc/52/26/93/1097522693.db2.gz NCHSDLZHUUEPHK-UHFFFAOYSA-N -1 0 337.379 2.803 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC001607122231 1097523690 /nfs/dbraw/zinc/52/36/90/1097523690.db2.gz HWBOCZBLPUWOGW-HNNXBMFYSA-N -1 0 349.346 2.586 20 30 EFEDRM COc1cc(C=NNC2CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001607153969 1097545096 /nfs/dbraw/zinc/54/50/96/1097545096.db2.gz WPXDKMHUTRVNLF-UHFFFAOYSA-N -1 0 330.340 2.651 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])co2)ccc1OCC#N ZINC001607153638 1097545574 /nfs/dbraw/zinc/54/55/74/1097545574.db2.gz SXAGVYUPCWDMPL-DUXPYHPUSA-N -1 0 327.292 2.785 20 30 EFEDRM COc1cc(CNC(=O)c2c(C)cc(C#N)cc2C)ccc1C(=O)[O-] ZINC001607161931 1097547325 /nfs/dbraw/zinc/54/73/25/1097547325.db2.gz BXQWLEWDJYDEDO-UHFFFAOYSA-N -1 0 338.363 2.812 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)ccc1C(=O)[O-] ZINC001607162299 1097547413 /nfs/dbraw/zinc/54/74/13/1097547413.db2.gz OZDTUPZNQXALLU-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CC=C(C(=O)[O-])C3)c2c1 ZINC001607184350 1097554600 /nfs/dbraw/zinc/55/46/00/1097554600.db2.gz JHVGBUHJSMPHNK-GFCCVEGCSA-N -1 0 339.351 2.709 20 30 EFEDRM COc1ccc(C[C@H](C)CN(C)c2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001607244644 1097572904 /nfs/dbraw/zinc/57/29/04/1097572904.db2.gz XLPXRZGDDAWUIN-ZDUSSCGKSA-N -1 0 339.395 2.975 20 30 EFEDRM COc1ccc(CCNN=Cc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001607249401 1097575075 /nfs/dbraw/zinc/57/50/75/1097575075.db2.gz RQKXHEHGODNFFV-UHFFFAOYSA-N -1 0 341.411 2.697 20 30 EFEDRM COc1ccc(CNC(=O)[C@H](CC#N)c2ccccc2)cc1C(=O)[O-] ZINC001607254219 1097575986 /nfs/dbraw/zinc/57/59/86/1097575986.db2.gz PIWVLKQGJPMUAY-OAHLLOKOSA-N -1 0 338.363 2.707 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C#N ZINC001607258506 1097576995 /nfs/dbraw/zinc/57/69/95/1097576995.db2.gz PAIBQQZRRPRITC-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc(COC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1C#N ZINC001607260606 1097577543 /nfs/dbraw/zinc/57/75/43/1097577543.db2.gz DPUMSMSUVDYAFE-UHFFFAOYSA-N -1 0 329.352 2.645 20 30 EFEDRM COc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1C(=O)[O-] ZINC001607261188 1097577743 /nfs/dbraw/zinc/57/77/43/1097577743.db2.gz JWNOZWUTGSJWJQ-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C/c1c(C)n(C)nc1C(=O)[O-])CC2 ZINC001607294090 1097586525 /nfs/dbraw/zinc/58/65/25/1097586525.db2.gz CKXRVUYSMQHPHE-XYOKQWHBSA-N -1 0 326.352 2.648 20 30 EFEDRM COc1ccc2c(c1)C(=NOCc1cc(C(=O)[O-])oc1C)CCO2 ZINC001607295209 1097587315 /nfs/dbraw/zinc/58/73/15/1097587315.db2.gz OQOBLDWVGDDGSV-UHFFFAOYSA-N -1 0 331.324 2.998 20 30 EFEDRM COc1cccc(C(=O)[O-])c1CSc1nc(C)nc(C)c1C#N ZINC001607306464 1097592683 /nfs/dbraw/zinc/59/26/83/1097592683.db2.gz CVVVTTYHXJAUDO-UHFFFAOYSA-N -1 0 329.381 2.964 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cccc(C#N)c2F)c1 ZINC001607311259 1097594269 /nfs/dbraw/zinc/59/42/69/1097594269.db2.gz ZZQWTMLCVVIJEJ-KRWDZBQOSA-N -1 0 328.343 2.964 20 30 EFEDRM COc1nccnc1N=NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001607361513 1097613150 /nfs/dbraw/zinc/61/31/50/1097613150.db2.gz IMLBUTYZTOGGPZ-UHFFFAOYSA-N -1 0 338.323 2.889 20 30 EFEDRM CSc1ccc(/C=C\C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001607404782 1097620103 /nfs/dbraw/zinc/62/01/03/1097620103.db2.gz BILZZFZCRMXWCZ-RQOWECAXSA-N -1 0 336.438 2.700 20 30 EFEDRM CSc1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C#N ZINC001607408668 1097621758 /nfs/dbraw/zinc/62/17/58/1097621758.db2.gz OZCRNPKHBMLANT-QPJJXVBHSA-N -1 0 342.376 2.901 20 30 EFEDRM CSc1ccc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001607410989 1097622641 /nfs/dbraw/zinc/62/26/41/1097622641.db2.gz YDXSCYSBTCZZGX-GFCCVEGCSA-N -1 0 347.440 2.869 20 30 EFEDRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001607453146 1097631966 /nfs/dbraw/zinc/63/19/66/1097631966.db2.gz ZTTWNYACVGDLTP-LLVKDONJSA-N -1 0 329.308 2.750 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001607484485 1097637758 /nfs/dbraw/zinc/63/77/58/1097637758.db2.gz LIBYAAZUELHAIE-AWEZNQCLSA-N -1 0 331.759 2.794 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC001607483603 1097637939 /nfs/dbraw/zinc/63/79/39/1097637939.db2.gz ZYRKHVWYVYOGID-UHFFFAOYSA-N -1 0 340.335 2.512 20 30 EFEDRM Cc1[nH]c(C(=O)CSCc2nc(C#N)cs2)c(C)c1C(=O)[O-] ZINC001607488947 1097639910 /nfs/dbraw/zinc/63/99/10/1097639910.db2.gz GYRFAPFUWYAKDZ-UHFFFAOYSA-N -1 0 335.410 2.774 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001607504437 1097644909 /nfs/dbraw/zinc/64/49/09/1097644909.db2.gz MQIBUOLEWZUTKR-GOSISDBHSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])co2)nnn1-c1ccc(F)cc1 ZINC001607503624 1097645109 /nfs/dbraw/zinc/64/51/09/1097645109.db2.gz IFXFRFOKXXDGSI-SREVYHEPSA-N -1 0 341.298 2.902 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(=O)[O-])nn1 ZINC001607509747 1097646889 /nfs/dbraw/zinc/64/68/89/1097646889.db2.gz HNRRSILUNCWJSD-UHFFFAOYSA-N -1 0 338.348 2.822 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001607510452 1097647022 /nfs/dbraw/zinc/64/70/22/1097647022.db2.gz PKAGDNOYIQCYAT-UHFFFAOYSA-N -1 0 340.364 2.615 20 30 EFEDRM Cc1cc(C#N)c(=O)n(Cc2c(Br)cccc2C(=O)[O-])c1 ZINC001607564679 1097661554 /nfs/dbraw/zinc/66/15/54/1097661554.db2.gz PYBULRHXBUOKIK-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(C#N)cc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC001607565139 1097662538 /nfs/dbraw/zinc/66/25/38/1097662538.db2.gz BGHINVWJYOBMJR-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1nc(COC(=O)Cc2c(C)cc(C#N)cc2C)sc1C(=O)[O-] ZINC001607565147 1097662701 /nfs/dbraw/zinc/66/27/01/1097662701.db2.gz BLCSQBGHFPWCBF-UHFFFAOYSA-N -1 0 344.392 2.924 20 30 EFEDRM Cc1cc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc(C)c1C#N ZINC001607569083 1097662851 /nfs/dbraw/zinc/66/28/51/1097662851.db2.gz CQSAFRKFWDMTKJ-UHFFFAOYSA-N -1 0 328.290 2.654 20 30 EFEDRM Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC001607581280 1097666338 /nfs/dbraw/zinc/66/63/38/1097666338.db2.gz JLGBFYZQFXDCAO-SHTZXODSSA-N -1 0 337.379 2.559 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)OCCCC2(C#N)CCOCC2)c1 ZINC001607590023 1097668831 /nfs/dbraw/zinc/66/88/31/1097668831.db2.gz FRNXNKOTRZFVRJ-UHFFFAOYSA-N -1 0 331.368 2.951 20 30 EFEDRM Cc1cc(C)c(C#N)c(N2CCN(c3ccc(C(=O)[O-])s3)CC2)n1 ZINC001607613663 1097676659 /nfs/dbraw/zinc/67/66/59/1097676659.db2.gz OISPCWYSLIXWHQ-UHFFFAOYSA-N -1 0 342.424 2.656 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2sccc2CC#N)C(=O)[O-])ccc1F ZINC001607613864 1097677725 /nfs/dbraw/zinc/67/77/25/1097677725.db2.gz CHTDIEJNXIDRPT-ZDUSSCGKSA-N -1 0 332.356 2.817 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2ccc(C#N)cc2F)C(=O)[O-])c1 ZINC001607627287 1097682328 /nfs/dbraw/zinc/68/23/28/1097682328.db2.gz SBJBUZOUXVOVPU-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(/C=C2/CCn3ccnc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001607634757 1097684512 /nfs/dbraw/zinc/68/45/12/1097684512.db2.gz KXMCCKZLXABNEK-ZROIWOOFSA-N -1 0 326.352 2.633 20 30 EFEDRM Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607676578 1097696349 /nfs/dbraw/zinc/69/63/49/1097696349.db2.gz FTKHWPXBNQDZND-QWHCGFSZSA-N -1 0 329.400 2.762 20 30 EFEDRM Cc1cc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ncc1C#N ZINC001607683659 1097697789 /nfs/dbraw/zinc/69/77/89/1097697789.db2.gz XWEXXYDQQDDWJL-ZDUSSCGKSA-N -1 0 330.388 2.616 20 30 EFEDRM Cc1cc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607683672 1097697983 /nfs/dbraw/zinc/69/79/83/1097697983.db2.gz YFYWSAATDYGMKF-SFHVURJKSA-N -1 0 344.415 2.651 20 30 EFEDRM Cc1cc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)ncc1C#N ZINC001607686406 1097698808 /nfs/dbraw/zinc/69/88/08/1097698808.db2.gz IGLJGVMWWRYFMT-CQSZACIVSA-N -1 0 330.388 2.664 20 30 EFEDRM Cc1cc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc(C#N)n1 ZINC001607685391 1097698861 /nfs/dbraw/zinc/69/88/61/1097698861.db2.gz WTJOTGFYFCQJHY-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1cc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])ccc1C#N ZINC001607710572 1097706306 /nfs/dbraw/zinc/70/63/06/1097706306.db2.gz KSPGXNGQFPRBMG-MRXNPFEDSA-N -1 0 340.404 2.842 20 30 EFEDRM Cc1ccc(C(=O)N(C)C)cc1OCc1cccc(C(=O)[O-])c1C#N ZINC001607725834 1097710214 /nfs/dbraw/zinc/71/02/14/1097710214.db2.gz NOIDJDGMFSLVRH-UHFFFAOYSA-N -1 0 338.363 2.846 20 30 EFEDRM Cc1oc(CNC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC001607725440 1097710555 /nfs/dbraw/zinc/71/05/55/1097710555.db2.gz ZLUFCWWBYJAOKV-BQYQJAHWSA-N -1 0 327.336 2.650 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@](C)(C#N)C1 ZINC001607741393 1097716757 /nfs/dbraw/zinc/71/67/57/1097716757.db2.gz XTFORUNTUJVHJH-UGSOOPFHSA-N -1 0 329.400 2.646 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)NCc2ccc(C#N)cc2)cc1 ZINC001607753971 1097720326 /nfs/dbraw/zinc/72/03/26/1097720326.db2.gz LGDSNKSMGYNEHI-QGZVFWFLSA-N -1 0 337.379 2.882 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C)c(C#N)cn2)C(=O)[O-])cc1 ZINC001607758376 1097723226 /nfs/dbraw/zinc/72/32/26/1097723226.db2.gz TYEBEBLJQDBBBF-OAHLLOKOSA-N -1 0 338.367 2.560 20 30 EFEDRM Cc1ccc(C[C@@H](SCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-])cc1 ZINC001607775839 1097728769 /nfs/dbraw/zinc/72/87/69/1097728769.db2.gz NLPCWGFIJQSTNT-CRAIPNDOSA-N -1 0 348.468 2.778 20 30 EFEDRM Cc1ccc(N=NCc2ccc(C(=O)[O-])cc2Br)nn1 ZINC001607808162 1097740315 /nfs/dbraw/zinc/74/03/15/1097740315.db2.gz GUPZKPKSESWNIH-UHFFFAOYSA-N -1 0 335.161 2.692 20 30 EFEDRM Cc1ccc2c(n1)c(=O)c(C#N)cn2CCc1ccccc1C(=O)[O-] ZINC001607833964 1097747372 /nfs/dbraw/zinc/74/73/72/1097747372.db2.gz IHTQGVBIMHUGOX-UHFFFAOYSA-N -1 0 333.347 2.518 20 30 EFEDRM Cc1cc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)oc1C(=O)[O-] ZINC001607854919 1097755360 /nfs/dbraw/zinc/75/53/60/1097755360.db2.gz MFVVIVKVYVSXMK-UHFFFAOYSA-N -1 0 348.380 2.704 20 30 EFEDRM Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607867637 1097760053 /nfs/dbraw/zinc/76/00/53/1097760053.db2.gz KMQNOERNNIZQCL-MRXNPFEDSA-N -1 0 341.411 2.772 20 30 EFEDRM Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C#N)sc1C(=O)[O-] ZINC001607958531 1097788322 /nfs/dbraw/zinc/78/83/22/1097788322.db2.gz UDSXYVAHIKWBAC-JTQLQIEISA-N -1 0 346.364 2.532 20 30 EFEDRM Cc1ncc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001607983183 1097796203 /nfs/dbraw/zinc/79/62/03/1097796203.db2.gz RPUZDKWJQUSPKX-UHFFFAOYSA-N -1 0 344.758 2.935 20 30 EFEDRM Cc1oc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608046176 1097815204 /nfs/dbraw/zinc/81/52/04/1097815204.db2.gz QXAJRDPLGSFMMP-LLVKDONJSA-N -1 0 341.367 2.617 20 30 EFEDRM Cc1onc(CC(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1C#N ZINC001608058719 1097820756 /nfs/dbraw/zinc/82/07/56/1097820756.db2.gz OWJMGGUVIDACJF-UHFFFAOYSA-N -1 0 341.348 2.949 20 30 EFEDRM Cn1c(C=NNCc2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC001608086883 1097830980 /nfs/dbraw/zinc/83/09/80/1097830980.db2.gz FVODYCYJQIXOJD-UHFFFAOYSA-N -1 0 325.290 2.866 20 30 EFEDRM Cn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Br)cn1 ZINC001608097308 1097833474 /nfs/dbraw/zinc/83/34/74/1097833474.db2.gz WHKROESSLGCBDD-PLNGDYQASA-N -1 0 335.157 2.777 20 30 EFEDRM Cn1cc(C(=O)[O-])c(NC(=O)c2ccc(C#Cc3ccccc3)cc2)n1 ZINC001608100349 1097834598 /nfs/dbraw/zinc/83/45/98/1097834598.db2.gz QHIIWXKLHSDJER-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC001608107541 1097836243 /nfs/dbraw/zinc/83/62/43/1097836243.db2.gz QOYZRSXAWFLEMQ-FPLPWBNLSA-N -1 0 335.363 2.864 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001608170472 1097849705 /nfs/dbraw/zinc/84/97/05/1097849705.db2.gz OMOPLVJWGUBAPE-INIZCTEOSA-N -1 0 328.412 2.910 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)CC1 ZINC001608173516 1097850461 /nfs/dbraw/zinc/85/04/61/1097850461.db2.gz XIHYWCXBMYMELZ-UHFFFAOYSA-N -1 0 337.379 2.876 20 30 EFEDRM N#C[C@H](COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC001608173086 1097851023 /nfs/dbraw/zinc/85/10/23/1097851023.db2.gz BFNPUOWPECULPO-RBSFLKMASA-N -1 0 333.359 2.942 20 30 EFEDRM N#C[C@@H](COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)Cc1ccc(F)cc1 ZINC001608173083 1097851063 /nfs/dbraw/zinc/85/10/63/1097851063.db2.gz BFNPUOWPECULPO-KKUMJFAQSA-N -1 0 333.359 2.942 20 30 EFEDRM N#C[C@]1(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)CC2CCC1CC2 ZINC001608175418 1097851732 /nfs/dbraw/zinc/85/17/32/1097851732.db2.gz BCBAUBVLYDSEAZ-UZABCXPZSA-N -1 0 341.363 2.831 20 30 EFEDRM N#CC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCCC1 ZINC001608174833 1097851844 /nfs/dbraw/zinc/85/18/44/1097851844.db2.gz DLBSLYDWNFCYME-DNVCBOLYSA-N -1 0 326.396 2.835 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC001608174565 1097852074 /nfs/dbraw/zinc/85/20/74/1097852074.db2.gz RFEDZUDJUNJDSW-UHFFFAOYSA-N -1 0 346.774 2.580 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cccc(F)c2OC(F)F)CC1 ZINC001608174149 1097852420 /nfs/dbraw/zinc/85/24/20/1097852420.db2.gz JFTKYLKKTXEFSR-UHFFFAOYSA-N -1 0 328.290 2.617 20 30 EFEDRM N#C[C@]1(F)CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001608176749 1097852603 /nfs/dbraw/zinc/85/26/03/1097852603.db2.gz CIQYGVLHBWDQCE-DGCLKSJQSA-N -1 0 327.153 2.512 20 30 EFEDRM N#CCC1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001608181083 1097853219 /nfs/dbraw/zinc/85/32/19/1097853219.db2.gz GJNWIDADEAVWDV-UHFFFAOYSA-N -1 0 325.368 2.561 20 30 EFEDRM N#CCCCCCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001608180535 1097853226 /nfs/dbraw/zinc/85/32/26/1097853226.db2.gz RYWRPLCOGLECLL-UHFFFAOYSA-N -1 0 338.791 2.933 20 30 EFEDRM N#CC1CCC(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001608177886 1097853487 /nfs/dbraw/zinc/85/34/87/1097853487.db2.gz CRQSUCYOKCNNSH-MQBCKMQZSA-N -1 0 341.411 2.710 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001608187175 1097853780 /nfs/dbraw/zinc/85/37/80/1097853780.db2.gz QNZMKGJJTLSGHH-GFCCVEGCSA-N -1 0 330.365 2.596 20 30 EFEDRM N#CCOc1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001608187367 1097853882 /nfs/dbraw/zinc/85/38/82/1097853882.db2.gz VKZMXESRAJZQTI-INIZCTEOSA-N -1 0 344.411 2.990 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001608187338 1097854118 /nfs/dbraw/zinc/85/41/18/1097854118.db2.gz TWGZAAJOEOLVSP-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM N#CCCc1ccc(NC[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001608182847 1097854284 /nfs/dbraw/zinc/85/42/84/1097854284.db2.gz DRJBKBFQUVHPRI-KRWDZBQOSA-N -1 0 340.379 2.693 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001608187347 1097854341 /nfs/dbraw/zinc/85/43/41/1097854341.db2.gz ULQNFTBSUIDUFE-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#CCOc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001608187359 1097854371 /nfs/dbraw/zinc/85/43/71/1097854371.db2.gz VHKIRVWKCRHMPE-UHFFFAOYSA-N -1 0 329.283 2.574 20 30 EFEDRM N#CCCc1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC001608183841 1097854483 /nfs/dbraw/zinc/85/44/83/1097854483.db2.gz PVLAXUJEBVBSDW-UHFFFAOYSA-N -1 0 336.413 2.529 20 30 EFEDRM N#CCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001608183663 1097854511 /nfs/dbraw/zinc/85/45/11/1097854511.db2.gz GFHWJBAFEYDASL-UHFFFAOYSA-N -1 0 339.182 2.881 20 30 EFEDRM N#CCOc1cccc(CC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001608188952 1097854797 /nfs/dbraw/zinc/85/47/97/1097854797.db2.gz RIQSGQFHJQWBFE-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCOc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001608187368 1097855435 /nfs/dbraw/zinc/85/54/35/1097855435.db2.gz VKZMXESRAJZQTI-MRXNPFEDSA-N -1 0 344.411 2.990 20 30 EFEDRM N#CCc1cccc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC001608189743 1097856175 /nfs/dbraw/zinc/85/61/75/1097856175.db2.gz KFOVALCUJOYVBD-UHFFFAOYSA-N -1 0 328.397 2.686 20 30 EFEDRM N#Cc1cn(Cc2cccc(C(=O)[O-])c2C#N)c(=O)c2sccc21 ZINC001608192052 1097856186 /nfs/dbraw/zinc/85/61/86/1097856186.db2.gz HIMBEHWZGBHMKI-UHFFFAOYSA-N -1 0 335.344 2.553 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001608189656 1097856869 /nfs/dbraw/zinc/85/68/69/1097856869.db2.gz FMHLGDMBHXSWAM-AWEZNQCLSA-N -1 0 342.330 2.624 20 30 EFEDRM N#Cc1c(CN[C@]2(CO)CCCc3ccccc32)cccc1C(=O)[O-] ZINC001608191046 1097856917 /nfs/dbraw/zinc/85/69/17/1097856917.db2.gz NUPZZWQBCALTSO-FQEVSTJZSA-N -1 0 336.391 2.570 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001608192568 1097857254 /nfs/dbraw/zinc/85/72/54/1097857254.db2.gz SJYSRPORYUMUPJ-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM N#Cc1c(CSc2ncc3c(n2)CCCC3=O)cccc1C(=O)[O-] ZINC001608192477 1097857276 /nfs/dbraw/zinc/85/72/76/1097857276.db2.gz QCHIGOXIYIUKCV-UHFFFAOYSA-N -1 0 339.376 2.858 20 30 EFEDRM N#Cc1c(Cn2cnc3c(Cl)cccc3c2=O)cccc1C(=O)[O-] ZINC001608192557 1097857374 /nfs/dbraw/zinc/85/73/74/1097857374.db2.gz SFSDJJXUEUELJL-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1Cl ZINC001608194301 1097858052 /nfs/dbraw/zinc/85/80/52/1097858052.db2.gz TYGDQECCOBPNID-ZDUSSCGKSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1cc(N[C@H](CC2CC2)C(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001608197561 1097858230 /nfs/dbraw/zinc/85/82/30/1097858230.db2.gz GINFEDAUFFGGNT-CQSZACIVSA-N -1 0 326.312 2.680 20 30 EFEDRM N#Cc1cc(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1OC(F)(F)F ZINC001608197587 1097858274 /nfs/dbraw/zinc/85/82/74/1097858274.db2.gz HHKRMQHJWMZTFL-WPRPVWTQSA-N -1 0 336.216 2.835 20 30 EFEDRM N#Cc1c[nH]c(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1 ZINC001608195589 1097858290 /nfs/dbraw/zinc/85/82/90/1097858290.db2.gz UEUXLIOXFLQENK-UHFFFAOYSA-N -1 0 338.367 2.827 20 30 EFEDRM N#Cc1cc(F)ccc1CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001608196775 1097858334 /nfs/dbraw/zinc/85/83/34/1097858334.db2.gz FUFIYKJIOCNDIQ-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c(Cl)c1 ZINC001608196824 1097858364 /nfs/dbraw/zinc/85/83/64/1097858364.db2.gz JQAMDHJSSHEIHC-QMMMGPOBSA-N -1 0 337.109 2.703 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC001608196610 1097858630 /nfs/dbraw/zinc/85/86/30/1097858630.db2.gz COVZOZRQCWBUQB-UHFFFAOYSA-N -1 0 338.338 2.995 20 30 EFEDRM N#Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1F ZINC001608197123 1097858914 /nfs/dbraw/zinc/85/89/14/1097858914.db2.gz PZESAKNAPVJQJC-NEPJUHHUSA-N -1 0 330.281 2.782 20 30 EFEDRM N#Cc1cc(F)ccc1CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001608196774 1097859076 /nfs/dbraw/zinc/85/90/76/1097859076.db2.gz FUFIYKJIOCNDIQ-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cc(NC[C@H](CC(=O)[O-])C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001608197926 1097859149 /nfs/dbraw/zinc/85/91/49/1097859149.db2.gz VPEVFAZCCKUWEP-LBPRGKRZSA-N -1 0 340.339 2.927 20 30 EFEDRM N#Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)cc1 ZINC001608199303 1097859445 /nfs/dbraw/zinc/85/94/45/1097859445.db2.gz BLLLYRCMPFKWJL-UHFFFAOYSA-N -1 0 348.314 2.777 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c(F)c1 ZINC001608199365 1097859762 /nfs/dbraw/zinc/85/97/62/1097859762.db2.gz DRTSMHKRXPRCOE-SECBINFHSA-N -1 0 345.355 2.596 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC001608198832 1097859874 /nfs/dbraw/zinc/85/98/74/1097859874.db2.gz DWAJSPTYCLVOFX-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC001608200310 1097859898 /nfs/dbraw/zinc/85/98/98/1097859898.db2.gz ZAFHLXOYQWGYSZ-MOPGFXCFSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(c3nc(Cl)c(C(=O)[O-])s3)CCO2)cc1 ZINC001608203984 1097861549 /nfs/dbraw/zinc/86/15/49/1097861549.db2.gz NKAUBIOFXATGSO-NSHDSACASA-N -1 0 349.799 2.944 20 30 EFEDRM N#Cc1ccc(C2(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)CC2)cc1 ZINC001608203810 1097861720 /nfs/dbraw/zinc/86/17/20/1097861720.db2.gz WKQIFQPDWHNUGX-UHFFFAOYSA-N -1 0 338.338 2.995 20 30 EFEDRM N#Cc1ccc(CCC(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001608204798 1097861738 /nfs/dbraw/zinc/86/17/38/1097861738.db2.gz PAUPHXFSIPXOJD-QGZVFWFLSA-N -1 0 341.338 2.869 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001608204411 1097862003 /nfs/dbraw/zinc/86/20/03/1097862003.db2.gz GEFDTBVGRHPATD-UHFFFAOYSA-N -1 0 334.375 2.774 20 30 EFEDRM N#Cc1ccc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001608204488 1097862047 /nfs/dbraw/zinc/86/20/47/1097862047.db2.gz CQTRYQVSESSLCF-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001608206396 1097862793 /nfs/dbraw/zinc/86/27/93/1097862793.db2.gz XYNJGIMMFZSWMN-UHFFFAOYSA-N -1 0 333.394 2.585 20 30 EFEDRM N#Cc1ccc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c(CO)c1 ZINC001608207074 1097862942 /nfs/dbraw/zinc/86/29/42/1097862942.db2.gz KWGFAXXZALWJPJ-UHFFFAOYSA-N -1 0 343.408 2.589 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001608206298 1097863233 /nfs/dbraw/zinc/86/32/33/1097863233.db2.gz FKASHTBDKIGJJY-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608206964 1097863347 /nfs/dbraw/zinc/86/33/47/1097863347.db2.gz RNMJNFNZAXNVMD-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)cc2)nc1 ZINC001608209487 1097863789 /nfs/dbraw/zinc/86/37/89/1097863789.db2.gz HAUDEWRBSVHWIA-BETUJISGSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC001608207792 1097863877 /nfs/dbraw/zinc/86/38/77/1097863877.db2.gz SCLQEUVRBKFZDO-UHFFFAOYSA-N -1 0 329.287 2.845 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001608210658 1097863886 /nfs/dbraw/zinc/86/38/86/1097863886.db2.gz UUHVIWUXRDPTRN-ZDUSSCGKSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(NCCSCCC(=O)[O-])cc1Br ZINC001608208499 1097864003 /nfs/dbraw/zinc/86/40/03/1097864003.db2.gz CCESPZMISQGJSB-UHFFFAOYSA-N -1 0 329.219 2.941 20 30 EFEDRM N#Cc1ccc(OCCOc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001608210773 1097864068 /nfs/dbraw/zinc/86/40/68/1097864068.db2.gz XRAYKJFNOOHRBZ-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1ccc(F)cc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001608207775 1097864130 /nfs/dbraw/zinc/86/41/30/1097864130.db2.gz VCLDXCABQRPXAL-LBPRGKRZSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001608208143 1097864143 /nfs/dbraw/zinc/86/41/43/1097864143.db2.gz GESXOLNGCPJFCS-WDEREUQCSA-N -1 0 341.289 2.675 20 30 EFEDRM N#Cc1ccc(N[C@@H](CC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001608209607 1097864291 /nfs/dbraw/zinc/86/42/91/1097864291.db2.gz UOHWHPOLGLMLLT-CQSZACIVSA-N -1 0 325.324 2.964 20 30 EFEDRM N#Cc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001608210653 1097864365 /nfs/dbraw/zinc/86/43/65/1097864365.db2.gz UUHVIWUXRDPTRN-CYBMUJFWSA-N -1 0 347.754 2.729 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001608213888 1097864807 /nfs/dbraw/zinc/86/48/07/1097864807.db2.gz ZVMHZOLFERETLW-MRXNPFEDSA-N -1 0 332.425 2.800 20 30 EFEDRM N#Cc1ccc(SCC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001608212826 1097865109 /nfs/dbraw/zinc/86/51/09/1097865109.db2.gz BWVWIRYWVKJXLG-UHFFFAOYSA-N -1 0 332.425 2.896 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001608213887 1097865142 /nfs/dbraw/zinc/86/51/42/1097865142.db2.gz ZVMHZOLFERETLW-INIZCTEOSA-N -1 0 332.425 2.800 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3O)on2)c1 ZINC001608214026 1097865256 /nfs/dbraw/zinc/86/52/56/1097865256.db2.gz BTEJMWLTXAGPKX-UHFFFAOYSA-N -1 0 349.302 2.869 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C2 ZINC001608213238 1097865264 /nfs/dbraw/zinc/86/52/64/1097865264.db2.gz KAUJBZOQVKMSFA-AWEZNQCLSA-N -1 0 339.326 2.684 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001608213533 1097865283 /nfs/dbraw/zinc/86/52/83/1097865283.db2.gz PTSLCHUGJIAWCW-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc(-c2nnc(CON=Cc3ccc(C(=O)[O-])cc3)o2)c1 ZINC001608214674 1097865517 /nfs/dbraw/zinc/86/55/17/1097865517.db2.gz RZKXIJQMWYQWPR-UHFFFAOYSA-N -1 0 348.318 2.857 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC001608214764 1097865981 /nfs/dbraw/zinc/86/59/81/1097865981.db2.gz FSDIYVCZRCJMRH-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)/C=C/c2ccnc(Cl)c2)C(=O)[O-])c1 ZINC001608216458 1097866482 /nfs/dbraw/zinc/86/64/82/1097866482.db2.gz KCGBNJFSJLYYEY-DWTRPJMMSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)/C=C\c2ccnc(Cl)c2)C(=O)[O-])c1 ZINC001608216459 1097866520 /nfs/dbraw/zinc/86/65/20/1097866520.db2.gz KCGBNJFSJLYYEY-YIEVGGLXSA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCOC(C3CC3)(C3CC3)C2)c1 ZINC001608215339 1097866580 /nfs/dbraw/zinc/86/65/80/1097866580.db2.gz JOZCHPDVWIETEE-QGZVFWFLSA-N -1 0 326.396 2.575 20 30 EFEDRM N#Cc1cccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)n1 ZINC001608215764 1097866663 /nfs/dbraw/zinc/86/66/63/1097866663.db2.gz OWRMCZXDRRKRPX-UHFFFAOYSA-N -1 0 346.726 2.541 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCc2ccc(O)cc2)C(=O)[O-])c1 ZINC001608216852 1097867065 /nfs/dbraw/zinc/86/70/65/1097867065.db2.gz YBHZQUNHDMBXCR-QGZVFWFLSA-N -1 0 325.320 2.566 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCc2ccc(O)cc2)C(=O)[O-])c1 ZINC001608216851 1097867221 /nfs/dbraw/zinc/86/72/21/1097867221.db2.gz YBHZQUNHDMBXCR-KRWDZBQOSA-N -1 0 325.320 2.566 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2CCCCCC(=O)C2)C(=O)[O-])c1 ZINC001608216722 1097867311 /nfs/dbraw/zinc/86/73/11/1097867311.db2.gz SBSIQXATXZIMNI-GOEBONIOSA-N -1 0 329.352 2.767 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC001608218058 1097867597 /nfs/dbraw/zinc/86/75/97/1097867597.db2.gz DNNSRNUBPFLSGT-UHFFFAOYSA-N -1 0 344.411 2.963 20 30 EFEDRM N#Cc1cccc(NCCOc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001608217941 1097867802 /nfs/dbraw/zinc/86/78/02/1097867802.db2.gz ALAQIUNVMDOJTJ-UHFFFAOYSA-N -1 0 327.296 2.656 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001608220657 1097868406 /nfs/dbraw/zinc/86/84/06/1097868406.db2.gz GUVXTJHFQMFCBP-PYUISTEWSA-N -1 0 338.338 2.695 20 30 EFEDRM N#Cc1ccsc1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608220588 1097868449 /nfs/dbraw/zinc/86/84/49/1097868449.db2.gz FZRZMHDVHBRAHN-JTQLQIEISA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001608218599 1097868634 /nfs/dbraw/zinc/86/86/34/1097868634.db2.gz SKDYAEWKJNWVJL-ZWKOTPCHSA-N -1 0 334.375 2.605 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001608218793 1097868703 /nfs/dbraw/zinc/86/87/03/1097868703.db2.gz YYALOQOFIDBKRY-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001608218964 1097868762 /nfs/dbraw/zinc/86/87/62/1097868762.db2.gz CQOSFBZAUIRRTF-UHFFFAOYSA-N -1 0 343.364 2.608 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001608223335 1097869393 /nfs/dbraw/zinc/86/93/93/1097869393.db2.gz SVNMZRRTGHSIAC-UHFFFAOYSA-N -1 0 346.368 2.717 20 30 EFEDRM N#Cc1cnccc1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001608221990 1097869529 /nfs/dbraw/zinc/86/95/29/1097869529.db2.gz DSAWNICARKPYKI-UHFFFAOYSA-N -1 0 338.348 2.593 20 30 EFEDRM N#Cc1csc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001608222735 1097869831 /nfs/dbraw/zinc/86/98/31/1097869831.db2.gz VYQXSRIDDKCZJW-UHFFFAOYSA-N -1 0 330.340 2.656 20 30 EFEDRM N#Cc1ccccc1C(F)(F)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001608220990 1097869921 /nfs/dbraw/zinc/86/99/21/1097869921.db2.gz OIFPDUKIBPZMGI-UHFFFAOYSA-N -1 0 342.301 2.938 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001608224806 1097870331 /nfs/dbraw/zinc/87/03/31/1097870331.db2.gz DMECQUYQNSDJQC-UHFFFAOYSA-N -1 0 333.438 2.702 20 30 EFEDRM N#Cc1sc(NC(=O)CCc2ccc(C(=O)[O-])cc2)nc1Cl ZINC001608224728 1097870504 /nfs/dbraw/zinc/87/05/04/1097870504.db2.gz AEZKOVHYXOOFOB-UHFFFAOYSA-N -1 0 335.772 2.938 20 30 EFEDRM N#Cc1sc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)nc1Cl ZINC001608225256 1097870993 /nfs/dbraw/zinc/87/09/93/1097870993.db2.gz RCHXWRKHSQNALB-OAHLLOKOSA-N -1 0 333.800 2.901 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC2(CC1)C(F)(F)C2(F)F ZINC001608224395 1097871033 /nfs/dbraw/zinc/87/10/33/1097871033.db2.gz WVTAQHBLLUZDOH-UHFFFAOYSA-N -1 0 329.253 2.522 20 30 EFEDRM NC(=NOCc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC001608227389 1097871049 /nfs/dbraw/zinc/87/10/49/1097871049.db2.gz OMZRKCCTHAQHIX-UHFFFAOYSA-N -1 0 349.184 2.984 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001608224385 1097871140 /nfs/dbraw/zinc/87/11/40/1097871140.db2.gz QOQUCWSJPWFLCJ-QPUJVOFHSA-N -1 0 329.278 2.563 20 30 EFEDRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)C#Cc1ccccc1)CCC2 ZINC001608277845 1097879623 /nfs/dbraw/zinc/87/96/23/1097879623.db2.gz URZVGLWSULUPBJ-GOSISDBHSA-N -1 0 333.387 2.973 20 30 EFEDRM O=C([O-])c1cccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)n1 ZINC001608287948 1097883113 /nfs/dbraw/zinc/88/31/13/1097883113.db2.gz PMIXKNOJDLATRF-BQYQJAHWSA-N -1 0 338.319 2.633 20 30 EFEDRM O=C([O-])[C@H](NC(=O)CC#Cc1ccccc1)c1cc(F)ccc1F ZINC001608289298 1097884383 /nfs/dbraw/zinc/88/43/83/1097884383.db2.gz WPMKFIZKXAPBEJ-QGZVFWFLSA-N -1 0 329.302 2.649 20 30 EFEDRM O=C([O-])c1ccc(C=NOCC(=O)NCCC2=CCCCC2)cc1 ZINC001608350184 1097899342 /nfs/dbraw/zinc/89/93/42/1097899342.db2.gz XWDFQARCWCNDNN-UHFFFAOYSA-N -1 0 330.384 2.742 20 30 EFEDRM O=C([O-])Cc1ccc(NN=Cc2cccc3c2OCCCO3)cc1 ZINC001608780287 1098019731 /nfs/dbraw/zinc/01/97/31/1098019731.db2.gz DGIGSZRTLLGTMJ-UHFFFAOYSA-N -1 0 326.352 2.921 20 30 EFEDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCC#C[C@@H]1CCCCO1 ZINC001608863191 1098048775 /nfs/dbraw/zinc/04/87/75/1098048775.db2.gz XYLIRGSUUZSNQT-NSHDSACASA-N -1 0 338.747 2.931 20 30 EFEDRM O=C([O-])c1ccc(C=NN[C@@H]2CCSC2)cc1Br ZINC001608879084 1098055920 /nfs/dbraw/zinc/05/59/20/1098055920.db2.gz OOXFIIDFTVFBGX-SECBINFHSA-N -1 0 329.219 2.576 20 30 EFEDRM O=C([O-])c1cncc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC001608979292 1098097353 /nfs/dbraw/zinc/09/73/53/1098097353.db2.gz TUQARZTUYHQIGQ-ZZXKWVIFSA-N -1 0 338.363 2.513 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)c1 ZINC001608986032 1098099197 /nfs/dbraw/zinc/09/91/97/1098099197.db2.gz WGOVSOBIRKTFTI-RQOWECAXSA-N -1 0 345.326 2.850 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001609057866 1098124119 /nfs/dbraw/zinc/12/41/19/1098124119.db2.gz IGEHNZLPWFASLK-DLBZAZTESA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001609057963 1098124136 /nfs/dbraw/zinc/12/41/36/1098124136.db2.gz LBCPDLXQMFZOGW-OLZOCXBDSA-N -1 0 342.317 2.945 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001609057868 1098124334 /nfs/dbraw/zinc/12/43/34/1098124334.db2.gz IGEHNZLPWFASLK-IRXDYDNUSA-N -1 0 341.338 2.702 20 30 EFEDRM C#C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001609057757 1098124721 /nfs/dbraw/zinc/12/47/21/1098124721.db2.gz FCUAYOWUAZISMY-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@H](C)CCCCC(=O)[O-] ZINC001609061147 1098125442 /nfs/dbraw/zinc/12/54/42/1098125442.db2.gz HLYLKJGKVDUMAO-LLVKDONJSA-N -1 0 330.392 2.936 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2O)o1 ZINC001609061534 1098127488 /nfs/dbraw/zinc/12/74/88/1098127488.db2.gz JWAJBSYCTCZKDT-UHFFFAOYSA-N -1 0 341.375 2.595 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CC1 ZINC001609137417 1098162751 /nfs/dbraw/zinc/16/27/51/1098162751.db2.gz SPRUISBFONLDSO-UHFFFAOYSA-N -1 0 327.384 2.615 20 30 EFEDRM C#CCN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001609137456 1098163271 /nfs/dbraw/zinc/16/32/71/1098163271.db2.gz WHNRFHLGYLDTTF-UHFFFAOYSA-N -1 0 329.377 2.975 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609152855 1098171251 /nfs/dbraw/zinc/17/12/51/1098171251.db2.gz KLLPNVXWNOPGDN-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609167549 1098180082 /nfs/dbraw/zinc/18/00/82/1098180082.db2.gz HKCYFYQOOIRYHW-KRWDZBQOSA-N -1 0 334.347 2.556 20 30 EFEDRM C#CCOc1cccc(Cl)c1CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC001609167735 1098180655 /nfs/dbraw/zinc/18/06/55/1098180655.db2.gz XPTQGTUCOWOPTB-OAHLLOKOSA-N -1 0 339.819 2.662 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001609174831 1098183466 /nfs/dbraw/zinc/18/34/66/1098183466.db2.gz OBKQEXBMLZTNDC-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609190091 1098189873 /nfs/dbraw/zinc/18/98/73/1098189873.db2.gz WZDIRKMLGBHCIA-DNVCBOLYSA-N -1 0 335.403 2.659 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001609189964 1098189918 /nfs/dbraw/zinc/18/99/18/1098189918.db2.gz OCNNARIBNLXRLE-UHFFFAOYSA-N -1 0 328.393 2.713 20 30 EFEDRM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2occc2c1[O-] ZINC001269503877 1098192342 /nfs/dbraw/zinc/19/23/42/1098192342.db2.gz IUXJYXZREWURDT-HUUCEWRRSA-N -1 0 340.379 2.530 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN2C(=O)c2ccc3occc3c2[O-])C1=O ZINC001269504115 1098192435 /nfs/dbraw/zinc/19/24/35/1098192435.db2.gz QELQDOUYYIFQLB-IBGZPJMESA-N -1 0 340.379 2.532 20 30 EFEDRM CCc1cnc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC001609253798 1098227389 /nfs/dbraw/zinc/22/73/89/1098227389.db2.gz PABUEAZMVGFXQI-UHFFFAOYSA-N -1 0 346.420 2.617 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001609257668 1098228977 /nfs/dbraw/zinc/22/89/77/1098228977.db2.gz KWGKPBMRKVANJC-QGZVFWFLSA-N -1 0 330.363 2.524 20 30 EFEDRM C=C[C@](C)(O)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001609267586 1098231974 /nfs/dbraw/zinc/23/19/74/1098231974.db2.gz YZUKWKDZAJBUHN-BEFAXECRSA-N -1 0 333.428 2.943 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001609267354 1098232015 /nfs/dbraw/zinc/23/20/15/1098232015.db2.gz RTRJXEANOSCPFM-HUUCEWRRSA-N -1 0 346.210 2.737 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)[O-] ZINC001609287182 1098239182 /nfs/dbraw/zinc/23/91/82/1098239182.db2.gz HSQOCSQPFWVOAW-ZDUSSCGKSA-N -1 0 342.380 2.713 20 30 EFEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001609290710 1098239791 /nfs/dbraw/zinc/23/97/91/1098239791.db2.gz UBHFRUWCAQYYKQ-UHFFFAOYSA-N -1 0 334.372 2.895 20 30 EFEDRM C=CCC1(CNS(=O)(=O)c2cccc(F)c2C(=O)[O-])CCCC1 ZINC001609320527 1098246219 /nfs/dbraw/zinc/24/62/19/1098246219.db2.gz PWPHSIQHGCYDFF-UHFFFAOYSA-N -1 0 341.404 2.939 20 30 EFEDRM C=CCC[C@H](c1ccccc1)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001609324634 1098247760 /nfs/dbraw/zinc/24/77/60/1098247760.db2.gz HXQHHDCKWSKOFZ-ARFHVFGLSA-N -1 0 342.395 2.821 20 30 EFEDRM C=CCC[C@H](c1ccccc1)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O ZINC001609324637 1098248241 /nfs/dbraw/zinc/24/82/41/1098248241.db2.gz HXQHHDCKWSKOFZ-XHSDSOJGSA-N -1 0 342.395 2.821 20 30 EFEDRM C=CCCN(OCc1ccccc1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001609340937 1098255349 /nfs/dbraw/zinc/25/53/49/1098255349.db2.gz JUMMWOYJAATAQG-UHFFFAOYSA-N -1 0 326.352 2.930 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001609356989 1098264342 /nfs/dbraw/zinc/26/43/42/1098264342.db2.gz ZYKNXASPCIORNA-UHFFFAOYSA-N -1 0 335.834 2.747 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001609371844 1098270344 /nfs/dbraw/zinc/27/03/44/1098270344.db2.gz ZYWCFEWSVKUCQB-NSHDSACASA-N -1 0 349.412 2.936 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001609373850 1098272529 /nfs/dbraw/zinc/27/25/29/1098272529.db2.gz SMUQXCLAOXVARC-UHFFFAOYSA-N -1 0 341.410 2.725 20 30 EFEDRM C=CCN1CC[C@@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1=O ZINC001609398963 1098287790 /nfs/dbraw/zinc/28/77/90/1098287790.db2.gz UDRGKMDJEIHVJM-MRXNPFEDSA-N -1 0 343.427 2.574 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2cccs2)nc1C)C(=O)[O-] ZINC001609443277 1098325313 /nfs/dbraw/zinc/32/53/13/1098325313.db2.gz YEDMHUMVEJAHKC-AWEZNQCLSA-N -1 0 346.408 2.504 20 30 EFEDRM C=CCc1ccc(OCC(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC001609463845 1098335982 /nfs/dbraw/zinc/33/59/82/1098335982.db2.gz BPIWLMIXVMVQPM-LSDHHAIUSA-N -1 0 348.395 2.989 20 30 EFEDRM C=CCOc1ccc(CNc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001609460501 1098336871 /nfs/dbraw/zinc/33/68/71/1098336871.db2.gz YSNROZRBOIJCIT-UHFFFAOYSA-N -1 0 340.379 2.678 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1c(C)nn(C)c1C ZINC001609464039 1098339140 /nfs/dbraw/zinc/33/91/40/1098339140.db2.gz IJYPACLCKXUEQO-UHFFFAOYSA-N -1 0 344.367 2.691 20 30 EFEDRM C=CCn1c(=O)c2c(nc1S[C@H](C=C)C(=O)[O-])sc1c2CCC1 ZINC001609485266 1098351380 /nfs/dbraw/zinc/35/13/80/1098351380.db2.gz KAPXXKDOGMZCHE-SNVBAGLBSA-N -1 0 348.449 2.864 20 30 EFEDRM C=CCn1c(SCC(=O)C(C)(C)C(=O)[O-])nnc1-c1ccoc1C ZINC001609485026 1098352147 /nfs/dbraw/zinc/35/21/47/1098352147.db2.gz BTMXWLDJCCXFNE-UHFFFAOYSA-N -1 0 349.412 2.805 20 30 EFEDRM CC#CCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001609495827 1098362472 /nfs/dbraw/zinc/36/24/72/1098362472.db2.gz QNPDDEJDXQFQDJ-UHFFFAOYSA-N -1 0 325.162 2.601 20 30 EFEDRM CC(=NNc1cc(C(=O)[O-])ccc1Br)c1csnn1 ZINC001609556904 1098380020 /nfs/dbraw/zinc/38/00/20/1098380020.db2.gz SACNDOKVEGIAEX-UHFFFAOYSA-N -1 0 341.190 2.835 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001609572931 1098385660 /nfs/dbraw/zinc/38/56/60/1098385660.db2.gz PEXVWYWOSXKLAC-RQOWECAXSA-N -1 0 344.327 2.662 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001609631682 1098410237 /nfs/dbraw/zinc/41/02/37/1098410237.db2.gz LYOQZWDOBCNHEG-RGZNSWCXSA-N -1 0 328.368 2.951 20 30 EFEDRM CC(C)(CC(=O)[O-])C(=O)OCc1cc(C#N)ccc1Br ZINC001609673204 1098422627 /nfs/dbraw/zinc/42/26/27/1098422627.db2.gz UAKDOJFUTZZUKE-UHFFFAOYSA-N -1 0 340.173 2.865 20 30 EFEDRM CC(C)(CC(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC#N ZINC001609673287 1098422724 /nfs/dbraw/zinc/42/27/24/1098422724.db2.gz ZURUTUNLUVVRQY-UHFFFAOYSA-N -1 0 325.748 2.786 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001609683334 1098426249 /nfs/dbraw/zinc/42/62/49/1098426249.db2.gz DRKJVANHMYXEKU-INIZCTEOSA-N -1 0 335.835 2.704 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1occc1C(=O)[O-] ZINC001609687184 1098427793 /nfs/dbraw/zinc/42/77/93/1098427793.db2.gz AFMDXULEWQJOMF-MRXNPFEDSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001609687857 1098427927 /nfs/dbraw/zinc/42/79/27/1098427927.db2.gz XMNVRFYQVLSCSQ-MRXNPFEDSA-N -1 0 343.335 2.996 20 30 EFEDRM CC(C)n1ccc(=O)nc1SCc1cccc(C(=O)[O-])c1C#N ZINC001609724166 1098437817 /nfs/dbraw/zinc/43/78/17/1098437817.db2.gz VXDQYQWURCUVTI-UHFFFAOYSA-N -1 0 329.381 2.686 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccncc1 ZINC001609728658 1098440576 /nfs/dbraw/zinc/44/05/76/1098440576.db2.gz KVZFSMBAOINFKO-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001609734341 1098441954 /nfs/dbraw/zinc/44/19/54/1098441954.db2.gz WIPSSSOGWFZAQK-JTQLQIEISA-N -1 0 346.774 2.837 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001609734342 1098442012 /nfs/dbraw/zinc/44/20/12/1098442012.db2.gz WIPSSSOGWFZAQK-SNVBAGLBSA-N -1 0 346.774 2.837 20 30 EFEDRM C[C@@H](Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1)C(=O)[O-] ZINC001609755217 1098447548 /nfs/dbraw/zinc/44/75/48/1098447548.db2.gz XMLGPKOZFKQCSL-JTQLQIEISA-N -1 0 326.312 2.868 20 30 EFEDRM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC001609790595 1098458297 /nfs/dbraw/zinc/45/82/97/1098458297.db2.gz IEJUTNGDTHDNQI-FZMZJTMJSA-N -1 0 338.319 2.836 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001609803949 1098463460 /nfs/dbraw/zinc/46/34/60/1098463460.db2.gz ZMFDGNJHUAGWAG-GFCCVEGCSA-N -1 0 325.320 2.558 20 30 EFEDRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC#N)CC(=O)[O-] ZINC001609925659 1098496136 /nfs/dbraw/zinc/49/61/36/1098496136.db2.gz WUVZBRXZAOSBOS-GFCCVEGCSA-N -1 0 342.317 2.711 20 30 EFEDRM CC[C@](NC(=O)c1cccc(C#N)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929031 1098497234 /nfs/dbraw/zinc/49/72/34/1098497234.db2.gz RUDHVYGJYBKFSX-QGZVFWFLSA-N -1 0 343.770 2.727 20 30 EFEDRM CCN(C)c1ccc(C(=O)/C=C/c2c(C)n(C)nc2C(=O)[O-])cc1 ZINC001609991033 1098516590 /nfs/dbraw/zinc/51/65/90/1098516590.db2.gz DYASUAWZSAAPRG-ZHACJKMWSA-N -1 0 327.384 2.779 20 30 EFEDRM CCNc1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001610010464 1098520929 /nfs/dbraw/zinc/52/09/29/1098520929.db2.gz HOMJBOICHPMDFX-UHFFFAOYSA-N -1 0 345.380 2.810 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2cccc(C#N)c2F)c(C)c1C(=O)[O-] ZINC001610054710 1098533085 /nfs/dbraw/zinc/53/30/85/1098533085.db2.gz DDGXLLBLCCWDGW-UHFFFAOYSA-N -1 0 330.315 2.952 20 30 EFEDRM CCc1cc2nncn2c(SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001610059974 1098533815 /nfs/dbraw/zinc/53/38/15/1098533815.db2.gz LCCHRGXSHQBMJU-UHFFFAOYSA-N -1 0 339.380 2.549 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001610060592 1098534592 /nfs/dbraw/zinc/53/45/92/1098534592.db2.gz XPRLOOWXLBYCTM-OAHLLOKOSA-N -1 0 327.405 2.994 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001610060195 1098534880 /nfs/dbraw/zinc/53/48/80/1098534880.db2.gz HVSBTFNVSBSUOY-NSHDSACASA-N -1 0 328.393 2.633 20 30 EFEDRM CN(C(=O)/C=C\c1ccccc1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001610088950 1098545106 /nfs/dbraw/zinc/54/51/06/1098545106.db2.gz ITFNQCVFRFJOBP-WDZFZDKYSA-N -1 0 336.347 2.698 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])c(Cl)c1 ZINC001269982340 1098558520 /nfs/dbraw/zinc/55/85/20/1098558520.db2.gz BTQJAJMUMGWRRZ-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001610153859 1098559358 /nfs/dbraw/zinc/55/93/58/1098559358.db2.gz AEESLPHCEIHFRK-HZPDHXFCSA-N -1 0 344.411 2.595 20 30 EFEDRM COC(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001610155902 1098559704 /nfs/dbraw/zinc/55/97/04/1098559704.db2.gz UBXLXPRKLXOKHQ-PXAZEXFGSA-N -1 0 338.363 2.821 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cccc(Cl)c1[O-])CC2 ZINC001269983411 1098566644 /nfs/dbraw/zinc/56/66/44/1098566644.db2.gz PXKIJNJEZZQCHB-CYBMUJFWSA-N -1 0 348.830 2.590 20 30 EFEDRM COC(=O)c1cc(NCc2cccc(C#N)c2F)ccc1C(=O)[O-] ZINC001610203943 1098570878 /nfs/dbraw/zinc/57/08/78/1098570878.db2.gz URYYHNRMAMQZTA-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM CON=Cc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001610277850 1098597691 /nfs/dbraw/zinc/59/76/91/1098597691.db2.gz SHOINXSPPYRORB-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM COc1c(C)cnc(CN(C)Cc2cccc(C(=O)[O-])c2C#N)c1C ZINC001610279155 1098597800 /nfs/dbraw/zinc/59/78/00/1098597800.db2.gz RBHRBHGUDSRRNW-UHFFFAOYSA-N -1 0 339.395 2.909 20 30 EFEDRM COc1cc(C#N)ccc1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610280202 1098599254 /nfs/dbraw/zinc/59/92/54/1098599254.db2.gz WBBDMLLQIGPFIM-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])n2)cc(OC)c1OC ZINC001610279806 1098599537 /nfs/dbraw/zinc/59/95/37/1098599537.db2.gz MSPIMOXAARNJGA-BQYQJAHWSA-N -1 0 343.335 2.702 20 30 EFEDRM COc1cc(NC(=O)c2sccc2C#N)c(C(=O)[O-])cc1OC ZINC001610301487 1098610108 /nfs/dbraw/zinc/61/01/08/1098610108.db2.gz DOWHZDKJUHQZEB-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C(=O)[O-])cc1 ZINC001610325043 1098622038 /nfs/dbraw/zinc/62/20/38/1098622038.db2.gz MAPGNRCCNGSFJT-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc(COC(=O)c2cccc(CC(=O)[O-])c2)cc1C#N ZINC001610337020 1098627232 /nfs/dbraw/zinc/62/72/32/1098627232.db2.gz XZZXMBQLAYVZJT-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ccc(N=NCc2cc(C)c(OCC(=O)[O-])c(C)c2)nc1 ZINC001610342090 1098628231 /nfs/dbraw/zinc/62/82/31/1098628231.db2.gz BPWAUDDAIIGAIY-UHFFFAOYSA-N -1 0 329.356 2.616 20 30 EFEDRM COc1ccc(F)cc1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610339460 1098628640 /nfs/dbraw/zinc/62/86/40/1098628640.db2.gz SXOTXPKYXFKQCS-UHFFFAOYSA-N -1 0 343.310 2.690 20 30 EFEDRM COc1ccc2c(c1)OCCN(Cc1cccc(C(=O)[O-])c1C#N)C2 ZINC001610350988 1098632351 /nfs/dbraw/zinc/63/23/51/1098632351.db2.gz BVPMCRMNCJZGLS-UHFFFAOYSA-N -1 0 338.363 2.660 20 30 EFEDRM COc1ccccc1CN(OC)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610365050 1098641148 /nfs/dbraw/zinc/64/11/48/1098641148.db2.gz CJMFUMJWVHUGMV-KRWDZBQOSA-N -1 0 326.352 2.756 20 30 EFEDRM CSc1ccc(Cl)c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001610386403 1098650581 /nfs/dbraw/zinc/65/05/81/1098650581.db2.gz YHRFLZRSYHUTJP-UHFFFAOYSA-N -1 0 338.816 2.892 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C2(C#N)CCCCC2)c(C)c1C(=O)[O-] ZINC001610396552 1098654922 /nfs/dbraw/zinc/65/49/22/1098654922.db2.gz CBRZIIKBOBRXNG-GFCCVEGCSA-N -1 0 346.383 2.918 20 30 EFEDRM Cc1c(NS(=O)(=O)c2ccccc2CC#N)ccc(F)c1C(=O)[O-] ZINC001610426824 1098671847 /nfs/dbraw/zinc/67/18/47/1098671847.db2.gz FMRDYOMUEFHENX-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001610432896 1098673742 /nfs/dbraw/zinc/67/37/42/1098673742.db2.gz OXXAMTOBWXIYBC-KBXCAEBGSA-N -1 0 336.391 2.929 20 30 EFEDRM Cc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)cc(C)c1OCC(=O)[O-] ZINC001610434208 1098675314 /nfs/dbraw/zinc/67/53/14/1098675314.db2.gz JZSSXADKYJHXJO-UHFFFAOYSA-N -1 0 342.395 2.818 20 30 EFEDRM Cc1cc([C@H](NC(=O)c2ccccc2OCC#N)C(=O)[O-])ccc1F ZINC001610447453 1098683556 /nfs/dbraw/zinc/68/35/56/1098683556.db2.gz NRSMRKBBRKJLAB-INIZCTEOSA-N -1 0 342.326 2.592 20 30 EFEDRM Cc1cc(Cl)cc(C#N)c1OCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001610462887 1098693561 /nfs/dbraw/zinc/69/35/61/1098693561.db2.gz XDLWESKJAQWVOQ-ZDUSSCGKSA-N -1 0 338.791 2.514 20 30 EFEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC001610465656 1098694306 /nfs/dbraw/zinc/69/43/06/1098694306.db2.gz QOEUETRLZBETDV-UHFFFAOYSA-N -1 0 349.339 2.666 20 30 EFEDRM Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)nn1CCC#N ZINC001610473219 1098697524 /nfs/dbraw/zinc/69/75/24/1098697524.db2.gz VTEPQDOTQBPCRI-NSHDSACASA-N -1 0 347.400 2.504 20 30 EFEDRM Cc1cc(=O)[nH]c(NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC001610475553 1098698845 /nfs/dbraw/zinc/69/88/45/1098698845.db2.gz BJCBXDRHOQJQTB-UHFFFAOYSA-N -1 0 338.323 2.895 20 30 EFEDRM Cc1cc(OS(=O)(=O)CC2(C(=O)[O-])CCCCC2)ccc1C#N ZINC001610476346 1098699047 /nfs/dbraw/zinc/69/90/47/1098699047.db2.gz OOTTVDUDPZSJRN-UHFFFAOYSA-N -1 0 337.397 2.610 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1cccc(C)c1C#N ZINC001610490132 1098708851 /nfs/dbraw/zinc/70/88/51/1098708851.db2.gz YJZLCILAAKMETR-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1ccc([C@@H](NCC(=O)Nc2cccc(C#N)c2)C(=O)[O-])cc1C ZINC001610494903 1098713145 /nfs/dbraw/zinc/71/31/45/1098713145.db2.gz JGFVTWMYFVGJOJ-GOSISDBHSA-N -1 0 337.379 2.529 20 30 EFEDRM Cc1ccc(OS(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001610511696 1098723277 /nfs/dbraw/zinc/72/32/77/1098723277.db2.gz XMVIBDXEACVIJS-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1cccc(S(=O)(=O)Oc2cccc(CC#N)c2)c1C(=O)[O-] ZINC001610526427 1098731551 /nfs/dbraw/zinc/73/15/51/1098731551.db2.gz XQNCNSSHYBIDPX-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1cccc2c1ncc(C#N)c2N1CCSC[C@H](C(=O)[O-])C1 ZINC001610526907 1098733308 /nfs/dbraw/zinc/73/33/08/1098733308.db2.gz FHJIFVMFHXFSIZ-CYBMUJFWSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1n[nH]c(C)c1C=NNc1cc(C(=O)[O-])ccc1Br ZINC001610551227 1098747850 /nfs/dbraw/zinc/74/78/50/1098747850.db2.gz XTQRWBXKMYYUTN-UHFFFAOYSA-N -1 0 337.177 2.933 20 30 EFEDRM Cc1nc(C(C)C)oc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610553467 1098749033 /nfs/dbraw/zinc/74/90/33/1098749033.db2.gz ZVZSCJFQJPZEFD-CQSZACIVSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1ncc(CO)c(C=Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1O ZINC001610562546 1098755967 /nfs/dbraw/zinc/75/59/67/1098755967.db2.gz BYTNOXLNEPGHPV-LLVKDONJSA-N -1 0 328.368 2.602 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(C(=O)[O-])cs3)cc12 ZINC001610568055 1098758083 /nfs/dbraw/zinc/75/80/83/1098758083.db2.gz HSIWABMWGPSTFJ-ONEGZZNKSA-N -1 0 327.365 2.933 20 30 EFEDRM Cc1nn(Cc2cccc(C(=O)[O-])c2C#N)c2ccc([N+](=O)[O-])cc12 ZINC001610571917 1098760940 /nfs/dbraw/zinc/76/09/40/1098760940.db2.gz FLUPYAGQAWAQED-UHFFFAOYSA-N -1 0 336.307 2.871 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001610619285 1098785984 /nfs/dbraw/zinc/78/59/84/1098785984.db2.gz RKYKKIQNRRGFJM-SNVBAGLBSA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC001610617403 1098786011 /nfs/dbraw/zinc/78/60/11/1098786011.db2.gz BKMLZDXEMWCJLY-UHFFFAOYSA-N -1 0 342.424 2.765 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001610619491 1098786067 /nfs/dbraw/zinc/78/60/67/1098786067.db2.gz XXZSCHIJDOJOSL-PKOBYXMFSA-N -1 0 348.402 2.797 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3F)s2)CC1 ZINC001610617533 1098786598 /nfs/dbraw/zinc/78/65/98/1098786598.db2.gz HUSNCSQYZYMGDT-UHFFFAOYSA-N -1 0 332.356 2.871 20 30 EFEDRM N#C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001610619386 1098786699 /nfs/dbraw/zinc/78/66/99/1098786699.db2.gz UDQRKNXNHMNLSD-ZDUSSCGKSA-N -1 0 349.268 2.793 20 30 EFEDRM N#CCCCNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001610621988 1098787372 /nfs/dbraw/zinc/78/73/72/1098787372.db2.gz YFEJVDPNWKTNJX-UHFFFAOYSA-N -1 0 344.140 2.712 20 30 EFEDRM N#CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001610621361 1098787842 /nfs/dbraw/zinc/78/78/42/1098787842.db2.gz GQGXVHUJBKAOLE-INIZCTEOSA-N -1 0 344.392 2.708 20 30 EFEDRM N#CCC1(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001610620553 1098788051 /nfs/dbraw/zinc/78/80/51/1098788051.db2.gz IXJHHQUBLGTLGJ-UHFFFAOYSA-N -1 0 325.727 2.993 20 30 EFEDRM N#CC[C@H](CC(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001610620892 1098788108 /nfs/dbraw/zinc/78/81/08/1098788108.db2.gz PRHLECHTKFBBLN-GFCCVEGCSA-N -1 0 344.396 2.581 20 30 EFEDRM N#CC1(c2ccc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC001610620384 1098788198 /nfs/dbraw/zinc/78/81/98/1098788198.db2.gz NAKNXFGZHQABML-QGZVFWFLSA-N -1 0 334.375 2.840 20 30 EFEDRM N#CCc1ccccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610624385 1098788984 /nfs/dbraw/zinc/78/89/84/1098788984.db2.gz NNSZHJNYDDQUJB-MRXNPFEDSA-N -1 0 327.311 2.744 20 30 EFEDRM N#CCc1ccccc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC001610624055 1098789002 /nfs/dbraw/zinc/78/90/02/1098789002.db2.gz BQFYNVDLCNIOTB-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1c(CN2CCOC[C@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001610623570 1098789118 /nfs/dbraw/zinc/78/91/18/1098789118.db2.gz PVDNYLUFRYHZFS-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#CCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001610623716 1098789193 /nfs/dbraw/zinc/78/91/93/1098789193.db2.gz XTRQRACBHBFUFP-UHFFFAOYSA-N -1 0 331.372 2.698 20 30 EFEDRM N#Cc1c(CSCc2cccc(C(N)=O)c2)cccc1C(=O)[O-] ZINC001610624735 1098789314 /nfs/dbraw/zinc/78/93/14/1098789314.db2.gz CRKDYYXESOPSNC-UHFFFAOYSA-N -1 0 326.377 2.789 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001610624617 1098789496 /nfs/dbraw/zinc/78/94/96/1098789496.db2.gz ZUKAYFUQTFJNPD-UHFFFAOYSA-N -1 0 338.157 2.732 20 30 EFEDRM N#Cc1c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nc2ccccn12 ZINC001610624191 1098789571 /nfs/dbraw/zinc/78/95/71/1098789571.db2.gz MHVRHVVYCKEQPU-HUUCEWRRSA-N -1 0 332.363 2.511 20 30 EFEDRM N#CCc1cccc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n1 ZINC001610624363 1098789840 /nfs/dbraw/zinc/78/98/40/1098789840.db2.gz MSYBVMHLDFZPSD-UHFFFAOYSA-N -1 0 332.363 2.890 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)nc1 ZINC001610626178 1098790553 /nfs/dbraw/zinc/79/05/53/1098790553.db2.gz DRMMUHBNNJALBQ-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1c(COC(=O)c2cncn2-c2ccccc2)cccc1C(=O)[O-] ZINC001610625399 1098790906 /nfs/dbraw/zinc/79/09/06/1098790906.db2.gz TVUDLLVJMWAGLO-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1cc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)ccn1 ZINC001610626224 1098791217 /nfs/dbraw/zinc/79/12/17/1098791217.db2.gz NHHJQQQAXJMLEI-UHFFFAOYSA-N -1 0 336.376 2.809 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC001610626126 1098791420 /nfs/dbraw/zinc/79/14/20/1098791420.db2.gz NLGHHZKVJSNJCZ-LBPRGKRZSA-N -1 0 348.280 2.574 20 30 EFEDRM N#Cc1ccc(CCC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001610627868 1098791960 /nfs/dbraw/zinc/79/19/60/1098791960.db2.gz SQYVWNSKVFYIKL-QGZVFWFLSA-N -1 0 340.354 2.615 20 30 EFEDRM N#Cc1ccc(COc2cccnc2C(=O)[O-])c(Br)c1 ZINC001610627056 1098792043 /nfs/dbraw/zinc/79/20/43/1098792043.db2.gz IXWIZVHAMKWTMU-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc(CN2CCSC[C@H]2CC(=O)[O-])c(OC(F)F)c1 ZINC001610628050 1098792169 /nfs/dbraw/zinc/79/21/69/1098792169.db2.gz MYYWPONPWPDJID-GFCCVEGCSA-N -1 0 342.367 2.552 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1O ZINC001610626831 1098792336 /nfs/dbraw/zinc/79/23/36/1098792336.db2.gz XDVAALLZLSCAKT-CVEARBPZSA-N -1 0 342.395 2.759 20 30 EFEDRM N#Cc1ccc(CC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001610627906 1098792373 /nfs/dbraw/zinc/79/23/73/1098792373.db2.gz USFMZKWQXIREKL-ROUUACIJSA-N -1 0 334.375 2.918 20 30 EFEDRM N#Cc1ccc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)nc1 ZINC001610627388 1098793095 /nfs/dbraw/zinc/79/30/95/1098793095.db2.gz GDMLZHQJYJJEEL-UHFFFAOYSA-N -1 0 347.124 2.633 20 30 EFEDRM N#Cc1cccc(NC(=O)CNc2cc(F)c(F)cc2C(=O)[O-])c1 ZINC001610631215 1098793440 /nfs/dbraw/zinc/79/34/40/1098793440.db2.gz SKFFEBWCHZCHGM-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3ccc(C(=O)[O-])s3)CCO2)c1 ZINC001610632314 1098795257 /nfs/dbraw/zinc/79/52/57/1098795257.db2.gz VHBVIXKQHOJMGW-CYBMUJFWSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC001610632487 1098795267 /nfs/dbraw/zinc/79/52/67/1098795267.db2.gz XINLAVZJKNBNAR-OALUTQOASA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1ccccc1NC(=S)Nc1cccc(OCC(=O)[O-])c1 ZINC001610632892 1098795339 /nfs/dbraw/zinc/79/53/39/1098795339.db2.gz JQYFTIALMWTYMU-UHFFFAOYSA-N -1 0 327.365 2.831 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(N)cc(F)cc2Cl)C(=O)[O-])c1 ZINC001610632189 1098795668 /nfs/dbraw/zinc/79/56/68/1098795668.db2.gz SNFUFOPTRQPTEK-CQSZACIVSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2ccc3c(c2)COC3)C(=O)[O-])c1 ZINC001610632050 1098796083 /nfs/dbraw/zinc/79/60/83/1098796083.db2.gz QKGUBWNJXDCUFX-SFHVURJKSA-N -1 0 337.331 2.500 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610632798 1098796349 /nfs/dbraw/zinc/79/63/49/1098796349.db2.gz GRXLVOWFLGNEDY-JEJOPICUSA-N -1 0 339.322 2.950 20 30 EFEDRM N#Cc1cnc(NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(Cl)c1 ZINC001610633887 1098796895 /nfs/dbraw/zinc/79/68/95/1098796895.db2.gz UXQVIAIRCDXZQP-ZDUSSCGKSA-N -1 0 335.722 2.690 20 30 EFEDRM N#Cc1nnc2ccccc2c1NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610636289 1098797891 /nfs/dbraw/zinc/79/78/91/1098797891.db2.gz KHDOWTUDFKGVPF-AWEZNQCLSA-N -1 0 336.326 2.921 20 30 EFEDRM O=C([O-])C1=C(C(=O)C2CC2)[C@@H](c2ccsc2)NC(=O)N1CC1CC1 ZINC001610732199 1098855968 /nfs/dbraw/zinc/85/59/68/1098855968.db2.gz RQJKCTLAWBQPIV-CYBMUJFWSA-N -1 0 346.408 2.542 20 30 EFEDRM O=C([O-])C1=C(C(=O)C2CC2)[C@H](c2ccsc2)NC(=O)N1CC1CC1 ZINC001610732200 1098857299 /nfs/dbraw/zinc/85/72/99/1098857299.db2.gz RQJKCTLAWBQPIV-ZDUSSCGKSA-N -1 0 346.408 2.542 20 30 EFEDRM O=C([O-])[C@H]1CCCC(N=Nc2cc(CO)ccc2Br)C1 ZINC001610740010 1098860816 /nfs/dbraw/zinc/86/08/16/1098860816.db2.gz DOVKZIIWSUHMPN-JTQLQIEISA-N -1 0 341.205 2.984 20 30 EFEDRM O=C([O-])c1cc(C=NNc2ccc(F)cc2Br)on1 ZINC001610811370 1098906084 /nfs/dbraw/zinc/90/60/84/1098906084.db2.gz SWLFZPOSJMUZTA-UHFFFAOYSA-N -1 0 328.097 2.720 20 30 EFEDRM O=C([O-])c1ccc(C2=NN/C(=N/Cc3ccccc3)SC2)cc1 ZINC001610824279 1098914979 /nfs/dbraw/zinc/91/49/79/1098914979.db2.gz PWEYPPQMVLHQJW-UHFFFAOYSA-N -1 0 325.393 2.982 20 30 EFEDRM O=C([O-])c1ccc(CON=Cc2ccc(-n3cncn3)cc2)c(F)c1 ZINC001610828923 1098918655 /nfs/dbraw/zinc/91/86/55/1098918655.db2.gz AKHMTYBPPTVTPM-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM O=C([O-])c1cccc(/C=C2\S/C(=N\C3CCCCC3)NC2=O)n1 ZINC001610886490 1098959359 /nfs/dbraw/zinc/95/93/59/1098959359.db2.gz IONCTRMSMQHORB-LCYFTJDESA-N -1 0 331.397 2.672 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)c[nH]1 ZINC001610886285 1098959543 /nfs/dbraw/zinc/95/95/43/1098959543.db2.gz GFTYGZVXEOHLBB-OWOJBTEDSA-N -1 0 334.378 2.715 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cc1ccccc1CC#N ZINC001625896841 1099748561 /nfs/dbraw/zinc/74/85/61/1099748561.db2.gz RDXVIMUJODAHKQ-UHFFFAOYSA-N -1 0 347.378 2.733 20 30 EFEDRM Cc1noc(Cc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC001636389959 1100717063 /nfs/dbraw/zinc/71/70/63/1100717063.db2.gz NDRIJJNAJAKZDA-UHFFFAOYSA-N -1 0 334.335 2.798 20 30 EFEDRM Cc1ccnc(Oc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc2)c1 ZINC001640271133 1101031335 /nfs/dbraw/zinc/03/13/35/1101031335.db2.gz NUGVLOLSYFAPND-UHFFFAOYSA-N -1 0 344.334 2.901 20 30 EFEDRM CC#CC[C@@H](CC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621488 1101759160 /nfs/dbraw/zinc/75/91/60/1101759160.db2.gz FJWVLWNHBBTRMB-SECBINFHSA-N -1 0 326.370 2.598 20 30 EFEDRM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000785410729 1102263188 /nfs/dbraw/zinc/26/31/88/1102263188.db2.gz DHAWLWQKIVRGEI-UHFFFAOYSA-N -1 0 337.335 2.781 20 30 EFEDRM C#CCCCS(=O)(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000840945527 1102524871 /nfs/dbraw/zinc/52/48/71/1102524871.db2.gz PNQNHIXBVIYHOI-UHFFFAOYSA-N -1 0 335.454 2.977 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000783608242 1102541837 /nfs/dbraw/zinc/54/18/37/1102541837.db2.gz AWSFGEXFQSMNIX-FPLPWBNLSA-N -1 0 336.804 2.841 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccn(C)n1 ZINC000796715922 1102599184 /nfs/dbraw/zinc/59/91/84/1102599184.db2.gz UQZLTLOHGQTOKG-HNNXBMFYSA-N -1 0 334.379 2.734 20 30 EFEDRM N#CCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436816533 1103473625 /nfs/dbraw/zinc/47/36/25/1103473625.db2.gz FAWRFTIAHQJXEG-UHFFFAOYSA-N -1 0 347.994 2.561 20 30 EFEDRM CO[C@H](C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000906072816 1103903315 /nfs/dbraw/zinc/90/33/15/1103903315.db2.gz LEVLRKICTAFFJP-SNVBAGLBSA-N -1 0 328.459 2.665 20 30 EFEDRM CO[C@H]1CCc2c(C#N)c([N-]S(=O)(=O)CCCCF)sc2C1 ZINC000906075939 1103905811 /nfs/dbraw/zinc/90/58/11/1103905811.db2.gz QRSARZKEGJOGOZ-JTQLQIEISA-N -1 0 346.449 2.615 20 30 EFEDRM CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000179218835 1105016790 /nfs/dbraw/zinc/01/67/90/1105016790.db2.gz MWOPTTQDRQOXLQ-UHFFFAOYSA-N -1 0 340.470 2.675 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C3CC3)s2)n1 ZINC000729771506 1105261002 /nfs/dbraw/zinc/26/10/02/1105261002.db2.gz KMVAWBZTJUJORU-JTQLQIEISA-N -1 0 347.421 2.819 20 30 EFEDRM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)CC1 ZINC000897757149 1106073314 /nfs/dbraw/zinc/07/33/14/1106073314.db2.gz WTQBLMBTKJOMNT-STQMWFEESA-N -1 0 331.416 2.613 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)COCCc1ccc(Br)cc1 ZINC000898281494 1106302679 /nfs/dbraw/zinc/30/26/79/1106302679.db2.gz XUEYZMQUDLYABC-LLVKDONJSA-N -1 0 328.206 2.631 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128830805 1106924535 /nfs/dbraw/zinc/92/45/35/1106924535.db2.gz CGTGQQRXMMZGJW-OAHLLOKOSA-N -1 0 326.352 2.544 20 30 EFEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)cc1 ZINC000903173188 1107046271 /nfs/dbraw/zinc/04/62/71/1107046271.db2.gz KSPPLCLLJDODBD-LLVKDONJSA-N -1 0 332.429 2.915 20 30 EFEDRM COc1csc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000080286086 1107645512 /nfs/dbraw/zinc/64/55/12/1107645512.db2.gz AJDCKVIPGQNJOH-UHFFFAOYSA-N -1 0 346.817 2.640 20 30 EFEDRM CCC[C@H](CCCS(C)(=O)=O)C(=O)N(O)Cc1ccc(F)cc1 ZINC000904172803 1107689329 /nfs/dbraw/zinc/68/93/29/1107689329.db2.gz CJKARFNLIXIBOM-CQSZACIVSA-N -1 0 345.436 2.785 20 30 EFEDRM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001272219686 1107960229 /nfs/dbraw/zinc/96/02/29/1107960229.db2.gz PKXCRPLZRLRYFR-CYBMUJFWSA-N -1 0 348.830 2.590 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc([S-])c1)CC2 ZINC001272378570 1108130119 /nfs/dbraw/zinc/13/01/19/1108130119.db2.gz BHCUYGGZSSPZAG-HNNXBMFYSA-N -1 0 330.453 2.520 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cccc([S-])c2)C1=O ZINC001272379642 1108130945 /nfs/dbraw/zinc/13/09/45/1108130945.db2.gz OTWBNQFJLRHLJI-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc([S-])c1 ZINC001272379208 1108132044 /nfs/dbraw/zinc/13/20/44/1108132044.db2.gz JXIRGGFLLMTGCN-HZPDHXFCSA-N -1 0 330.453 2.757 20 30 EFEDRM Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2O)ccc1C#N ZINC001089244006 1108164487 /nfs/dbraw/zinc/16/44/87/1108164487.db2.gz LTGOPQGJLBCUHS-QWHCGFSZSA-N -1 0 338.411 2.976 20 30 EFEDRM COCCOCc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1F ZINC000176407187 1108458647 /nfs/dbraw/zinc/45/86/47/1108458647.db2.gz BWOAFCRKUGJRJU-UHFFFAOYSA-N -1 0 344.342 2.818 20 30 EFEDRM Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176408834 1108459966 /nfs/dbraw/zinc/45/99/66/1108459966.db2.gz DFYNTSVKELBZPK-UHFFFAOYSA-N -1 0 337.364 2.738 20 30 EFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3cccc(F)c3[O-])CC2)C1=O ZINC001272235316 1109197895 /nfs/dbraw/zinc/19/78/95/1109197895.db2.gz XWCGBNQSUSILBH-LJQANCHMSA-N -1 0 346.402 2.562 20 30 EFEDRM N#Cc1ccc(Br)c(-n2[n-]c(C3CCOCC3)cc2=O)c1 ZINC000899352590 1109294847 /nfs/dbraw/zinc/29/48/47/1109294847.db2.gz AGEDKARXXPUHSH-UHFFFAOYSA-N -1 0 348.200 2.840 20 30 EFEDRM COC(=O)c1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)n1C ZINC000899348450 1109296071 /nfs/dbraw/zinc/29/60/71/1109296071.db2.gz ZBNYZTFTLSCORY-CSKARUKUSA-N -1 0 343.335 2.624 20 30 EFEDRM CC(C)c1cccc2c1OC/C(=C/c1cc(C(=O)[O-])nn1C)C2=O ZINC000899363461 1109297471 /nfs/dbraw/zinc/29/74/71/1109297471.db2.gz CJEUAHGOBWABPH-XFFZJAGNSA-N -1 0 326.352 2.900 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C)/C(=C/c1cc(C(=O)[O-])nn1C)C2=O ZINC000899392888 1109313106 /nfs/dbraw/zinc/31/31/06/1109313106.db2.gz XNYPUNKMGKGIMM-SOOGHKCXSA-N -1 0 326.352 2.585 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000842323665 1109447420 /nfs/dbraw/zinc/44/74/20/1109447420.db2.gz OWDBEVXNCNIHFO-KGLIPLIRSA-N -1 0 337.379 2.657 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899767172 1109470388 /nfs/dbraw/zinc/47/03/88/1109470388.db2.gz WPPHHLTZSXEYMO-YGOSVGOTSA-N -1 0 340.379 2.808 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899783029 1109476803 /nfs/dbraw/zinc/47/68/03/1109476803.db2.gz SPNHTCVTEYELGK-BQFCYCMXSA-N -1 0 331.412 2.651 20 30 EFEDRM C=CCC1(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)CCOCC1 ZINC000899826290 1109504140 /nfs/dbraw/zinc/50/41/40/1109504140.db2.gz VIMJTDSPDTUJOL-INIZCTEOSA-N -1 0 331.412 2.795 20 30 EFEDRM Cc1ccc(C)n1-c1sccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000914532235 1111241333 /nfs/dbraw/zinc/24/13/33/1111241333.db2.gz BBAHDWJTADCJRS-UHFFFAOYSA-N -1 0 336.380 2.874 20 30 EFEDRM CC1C=C(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)CC1 ZINC000914700237 1111334642 /nfs/dbraw/zinc/33/46/42/1111334642.db2.gz NGGPLDBZEVNTRQ-UHFFFAOYSA-N -1 0 343.412 2.785 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1oc(Br)cc1C ZINC000916878454 1111994465 /nfs/dbraw/zinc/99/44/65/1111994465.db2.gz XFBAMLYPZCIQFN-JTQLQIEISA-N -1 0 341.205 2.979 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000916764030 1111981565 /nfs/dbraw/zinc/98/15/65/1111981565.db2.gz ZBPCSEIITLBAIG-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c(C)n1CC(F)(F)F ZINC000916871307 1111993251 /nfs/dbraw/zinc/99/32/51/1111993251.db2.gz KTSMGSYCQSDYDT-ZDUSSCGKSA-N -1 0 341.333 2.612 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000916877130 1111993946 /nfs/dbraw/zinc/99/39/46/1111993946.db2.gz BWNYKQGVZOMVID-LBPRGKRZSA-N -1 0 342.355 2.705 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000916877636 1111994423 /nfs/dbraw/zinc/99/44/23/1111994423.db2.gz IJKWCKMEGIPFLZ-ZDUSSCGKSA-N -1 0 342.355 2.705 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000916887841 1111994990 /nfs/dbraw/zinc/99/49/90/1111994990.db2.gz ZQHGITFLCMXJLM-ZDUSSCGKSA-N -1 0 326.377 2.590 20 30 EFEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1C ZINC000916895886 1111997633 /nfs/dbraw/zinc/99/76/33/1111997633.db2.gz VXGCGOXGZSHMRH-INIZCTEOSA-N -1 0 341.411 2.725 20 30 EFEDRM C[C@H](Oc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cn1)c1ccccc1 ZINC000916927533 1112000772 /nfs/dbraw/zinc/00/07/72/1112000772.db2.gz LFWOYKBNEBPQPI-SUMWQHHRSA-N -1 0 349.390 2.823 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916931504 1112001484 /nfs/dbraw/zinc/00/14/84/1112001484.db2.gz QTLIJOVHWWHUEU-LJQANCHMSA-N -1 0 328.371 2.687 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)cc2)cc1 ZINC000155003161 1112246919 /nfs/dbraw/zinc/24/69/19/1112246919.db2.gz GJKHPIQBKGQVLD-SFHVURJKSA-N -1 0 336.391 2.685 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622372 1117956313 /nfs/dbraw/zinc/95/63/13/1117956313.db2.gz RNJOKNBBSNWORV-MRVPVSSYSA-N -1 0 325.308 2.776 20 30 EFEDRM Cc1cc(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1C(C)C ZINC000052557302 214133686 /nfs/dbraw/zinc/13/36/86/214133686.db2.gz GNGMOPLSWKBONT-LBPRGKRZSA-N -1 0 337.383 2.991 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000056668643 214383130 /nfs/dbraw/zinc/38/31/30/214383130.db2.gz FCMDQDTYAOXNOB-FLIBITNWSA-N -1 0 327.361 2.567 20 30 EFEDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2C1 ZINC000066253057 215027911 /nfs/dbraw/zinc/02/79/11/215027911.db2.gz LSLZQSTUEUHBFY-NSHDSACASA-N -1 0 347.465 2.752 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(-n2cncn2)c(F)c1 ZINC000103446070 219299956 /nfs/dbraw/zinc/29/99/56/219299956.db2.gz SIGWXBASKCVCTE-RJRFIUFISA-N -1 0 335.298 2.542 20 30 EFEDRM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OCC ZINC000103841185 219326117 /nfs/dbraw/zinc/32/61/17/219326117.db2.gz GPJGXGYXIHOPHI-IWHGQQBYSA-N -1 0 344.363 2.712 20 30 EFEDRM O=C([O-])CCCNC(=S)NN=C(c1ccccc1)c1ccccc1 ZINC000040875117 213396233 /nfs/dbraw/zinc/39/62/33/213396233.db2.gz XTZXLDHXGBHLOY-UHFFFAOYSA-N -1 0 341.436 2.768 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C(C)C ZINC000359660881 282986113 /nfs/dbraw/zinc/98/61/13/282986113.db2.gz MCUAMJNUABJIIQ-UHFFFAOYSA-N -1 0 347.444 2.874 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cncnc3)c2)c1 ZINC000431641113 295990688 /nfs/dbraw/zinc/99/06/88/295990688.db2.gz UYUOVELOBOTKMJ-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000330769560 283454320 /nfs/dbraw/zinc/45/43/20/283454320.db2.gz NCDACJWURXITAQ-UHFFFAOYSA-N -1 0 349.456 2.604 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000262622012 240361436 /nfs/dbraw/zinc/36/14/36/240361436.db2.gz FEHFAQNGJLCAHB-UHFFFAOYSA-N -1 0 334.441 2.700 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cncc(Br)c1 ZINC000049513558 238762320 /nfs/dbraw/zinc/76/23/20/238762320.db2.gz YBWQYORZUWRQOC-UHFFFAOYSA-N -1 0 347.234 2.811 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1Br)C1CCOCC1 ZINC000069617694 238798076 /nfs/dbraw/zinc/79/80/76/238798076.db2.gz UIEQXGUHSWWNMC-UHFFFAOYSA-N -1 0 348.218 2.521 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(Cl)c1 ZINC000169255707 239126273 /nfs/dbraw/zinc/12/62/73/239126273.db2.gz CBFCNFPCOMEQEU-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#CC(=C([O-])c1ccc(-n2cnnc2)cc1)c1nc2ccccc2o1 ZINC000171530544 239146340 /nfs/dbraw/zinc/14/63/40/239146340.db2.gz HXVJQZDXOHUCIC-CQSZACIVSA-N -1 0 329.319 2.899 20 30 EFEDRM N#CC(=C([O-])c1ccc(-n2cnnc2)cc1)c1nc2ccccc2o1 ZINC000171530541 239146579 /nfs/dbraw/zinc/14/65/79/239146579.db2.gz HXVJQZDXOHUCIC-AWEZNQCLSA-N -1 0 329.319 2.899 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1[N+](=O)[O-] ZINC000172182383 239163070 /nfs/dbraw/zinc/16/30/70/239163070.db2.gz NKAGWFMDAPFNHH-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM N#CCCn1ccc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000173698419 239199621 /nfs/dbraw/zinc/19/96/21/239199621.db2.gz QVLWFQDUFSLPSL-UHFFFAOYSA-N -1 0 335.161 2.517 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000187766927 239725584 /nfs/dbraw/zinc/72/55/84/239725584.db2.gz NHVTZWTWCCKSRC-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM N#CCc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191535498 239993043 /nfs/dbraw/zinc/99/30/43/239993043.db2.gz AJYCPWZSROSFJT-SFHVURJKSA-N -1 0 336.391 2.959 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000194649275 240167169 /nfs/dbraw/zinc/16/71/69/240167169.db2.gz BAAJJJTZMNOMKM-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM Cn1nccc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237676312 240246545 /nfs/dbraw/zinc/24/65/45/240246545.db2.gz PNKSRWNHNBZJHD-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cn1 ZINC000195438170 240225037 /nfs/dbraw/zinc/22/50/37/240225037.db2.gz AUKINTBIJLPLAL-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000238122999 240250747 /nfs/dbraw/zinc/25/07/47/240250747.db2.gz OWWNNPIWUZTNLR-UHFFFAOYSA-N -1 0 331.393 2.762 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OC)c(Br)c1)C(=O)[O-] ZINC000262813326 240369789 /nfs/dbraw/zinc/36/97/89/240369789.db2.gz DOQSHVLGCOOGQG-NSHDSACASA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(OC)c(Br)s1)C(=O)[O-] ZINC000262808679 240369818 /nfs/dbraw/zinc/36/98/18/240369818.db2.gz DGJWMEGDQZLODZ-ZETCQYMHSA-N -1 0 348.218 2.668 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC000262799555 240369917 /nfs/dbraw/zinc/36/99/17/240369917.db2.gz CNFMRGFBBRUAOH-LLVKDONJSA-N -1 0 343.221 2.981 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CC(=O)[O-])[C@@H](C)CC)c(OC)c1 ZINC000262785076 240370596 /nfs/dbraw/zinc/37/05/96/240370596.db2.gz PZUWFFCPUMZUAS-ZDUSSCGKSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000262860497 240371415 /nfs/dbraw/zinc/37/14/15/240371415.db2.gz ARKMBWAZCGFSOB-BBRMVZONSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000262880670 240371454 /nfs/dbraw/zinc/37/14/54/240371454.db2.gz KODMVNNTGZIQQW-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000262873512 240372563 /nfs/dbraw/zinc/37/25/63/240372563.db2.gz JWZQCYUJWNLQEO-QGZVFWFLSA-N -1 0 341.411 2.567 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000262878338 240372744 /nfs/dbraw/zinc/37/27/44/240372744.db2.gz KHZHQDULSCTERU-SKDRFNHKSA-N -1 0 329.755 2.782 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC000262846593 240372781 /nfs/dbraw/zinc/37/27/81/240372781.db2.gz HLRBLMSMMADUDW-MRXNPFEDSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000262898772 240372919 /nfs/dbraw/zinc/37/29/19/240372919.db2.gz MDBFCJONPVQYSY-ZDUSSCGKSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(CC(C)C)c1C(F)F)C(=O)[O-] ZINC000262870744 240372977 /nfs/dbraw/zinc/37/29/77/240372977.db2.gz JPGXQDXNHPDQPO-NSHDSACASA-N -1 0 329.347 2.626 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000263000180 240374615 /nfs/dbraw/zinc/37/46/15/240374615.db2.gz MEPRMJJYUWCHSD-HIFRSBDPSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1)C(=O)[O-] ZINC000262906915 240374937 /nfs/dbraw/zinc/37/49/37/240374937.db2.gz MUFUSQNDOWUZRZ-INIZCTEOSA-N -1 0 341.411 2.947 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262973657 240375095 /nfs/dbraw/zinc/37/50/95/240375095.db2.gz KCKZBINHTCAOIV-BZSNNMDCSA-N -1 0 339.391 2.715 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(Br)cc1C)C(=O)[O-] ZINC000262987597 240375129 /nfs/dbraw/zinc/37/51/29/240375129.db2.gz UXCANIIHTKDATB-ZDUSSCGKSA-N -1 0 340.217 2.836 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC000262916630 240375220 /nfs/dbraw/zinc/37/52/20/240375220.db2.gz FUVPMKIHYVUYJB-QGZVFWFLSA-N -1 0 342.395 2.744 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262979993 240375239 /nfs/dbraw/zinc/37/52/39/240375239.db2.gz UFIFTDNOZXZPBS-LBPRGKRZSA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262967208 240375261 /nfs/dbraw/zinc/37/52/61/240375261.db2.gz SFKICEAPHQBUSE-LBPRGKRZSA-N -1 0 331.290 2.620 20 30 EFEDRM CC[C@@](CNC(=O)c1ccc(CC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000262908506 240375332 /nfs/dbraw/zinc/37/53/32/240375332.db2.gz DLFNDJVTVXVXNB-FQEVSTJZSA-N -1 0 336.391 2.915 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccccc2C)CCCCC1)C(=O)[O-] ZINC000262918227 240375394 /nfs/dbraw/zinc/37/53/94/240375394.db2.gz FZQCDLYYXBLIMR-QGZVFWFLSA-N -1 0 345.439 2.969 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000262909708 240375461 /nfs/dbraw/zinc/37/54/61/240375461.db2.gz NAJKAKGRWHBELU-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-] ZINC000262915312 240375491 /nfs/dbraw/zinc/37/54/91/240375491.db2.gz FRJORJYFUXZPKO-CQSZACIVSA-N -1 0 325.792 2.849 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000262916265 240375670 /nfs/dbraw/zinc/37/56/70/240375670.db2.gz NQBDRQDLIPSFAV-GFCCVEGCSA-N -1 0 326.190 2.907 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)[O-] ZINC000263042350 240376401 /nfs/dbraw/zinc/37/64/01/240376401.db2.gz ZTWDBMWLIILTIH-OAHLLOKOSA-N -1 0 328.368 2.701 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000263042487 240378243 /nfs/dbraw/zinc/37/82/43/240378243.db2.gz PHMLBGBWFWMSLU-CYBMUJFWSA-N -1 0 343.782 2.529 20 30 EFEDRM C=CCC[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000263005268 240378268 /nfs/dbraw/zinc/37/82/68/240378268.db2.gz WRZRIOZVSYJCIH-HNNXBMFYSA-N -1 0 339.395 2.510 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000263111322 240379314 /nfs/dbraw/zinc/37/93/14/240379314.db2.gz URLPRIVGHYZODY-JQWIXIFHSA-N -1 0 343.832 2.593 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc(CC)c(CCC)s1)C(=O)[O-] ZINC000263127890 240380441 /nfs/dbraw/zinc/38/04/41/240380441.db2.gz VUUPXMZJNQHOIM-GFCCVEGCSA-N -1 0 325.430 2.649 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263133644 240380697 /nfs/dbraw/zinc/38/06/97/240380697.db2.gz WEBDLEHPDLEQRY-INIZCTEOSA-N -1 0 333.428 2.689 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263214009 240381913 /nfs/dbraw/zinc/38/19/13/240381913.db2.gz JEGXIEHMQWSBRT-UHFFFAOYSA-N -1 0 332.400 2.694 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000263327197 240382646 /nfs/dbraw/zinc/38/26/46/240382646.db2.gz BOJMNGLIZMOGTL-HNAYVOBHSA-N -1 0 344.411 2.648 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263355680 240382741 /nfs/dbraw/zinc/38/27/41/240382741.db2.gz QTGHTUGLQMRAPL-UKRRQHHQSA-N -1 0 332.400 2.504 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000263374231 240382962 /nfs/dbraw/zinc/38/29/62/240382962.db2.gz WIJKHORHKIKFPH-KBMXLJTQSA-N -1 0 329.400 2.784 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263286383 240383159 /nfs/dbraw/zinc/38/31/59/240383159.db2.gz YBQJDAGRBWTVJN-OCCSQVGLSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263355682 240383603 /nfs/dbraw/zinc/38/36/03/240383603.db2.gz QTGHTUGLQMRAPL-ZFWWWQNUSA-N -1 0 332.400 2.504 20 30 EFEDRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000263510002 240385103 /nfs/dbraw/zinc/38/51/03/240385103.db2.gz XHKXCUUVUXNOEH-MRXNPFEDSA-N -1 0 349.390 2.810 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000263506248 240385211 /nfs/dbraw/zinc/38/52/11/240385211.db2.gz BFAVTBYMZWMWFW-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263495361 240385587 /nfs/dbraw/zinc/38/55/87/240385587.db2.gz SPVXIOCJAQNRCY-UHFFFAOYSA-N -1 0 341.411 2.899 20 30 EFEDRM C=CCN1CC[C@H](N(C)C(=O)c2c([O-])cc(Cl)cc2Cl)C1=O ZINC000281821178 240955370 /nfs/dbraw/zinc/95/53/70/240955370.db2.gz VRPPYSJDUIZUAO-NSHDSACASA-N -1 0 343.210 2.558 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NCCC(C)(C)C(=O)[O-])cc1OC ZINC000296857459 241101202 /nfs/dbraw/zinc/10/12/02/241101202.db2.gz XJFKEJHKMLIWHG-VQHVLOKHSA-N -1 0 347.411 2.890 20 30 EFEDRM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000295665869 241060042 /nfs/dbraw/zinc/06/00/42/241060042.db2.gz AVXKMBVNKZNOLJ-LLVKDONJSA-N -1 0 340.804 2.542 20 30 EFEDRM Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cccc(Cl)c2[O-])CC(=O)N1C ZINC000328925407 241268629 /nfs/dbraw/zinc/26/86/29/241268629.db2.gz DUUOCOPLSXUYRO-OTYXRUKQSA-N -1 0 348.790 2.587 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000324431675 241205204 /nfs/dbraw/zinc/20/52/04/241205204.db2.gz ULKFWRWQWSGQMA-UHFFFAOYSA-N -1 0 335.316 2.601 20 30 EFEDRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328831903 241251816 /nfs/dbraw/zinc/25/18/16/241251816.db2.gz KLUONHLBDNJHNZ-MNOVXSKESA-N -1 0 336.442 2.582 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H](C(=O)OC)c2ccsc2)s1 ZINC000344605543 241816506 /nfs/dbraw/zinc/81/65/06/241816506.db2.gz DATLNZOFJNMEIP-SECBINFHSA-N -1 0 327.456 2.626 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350653019 241886802 /nfs/dbraw/zinc/88/68/02/241886802.db2.gz LHDOJINXTURCTB-GFCCVEGCSA-N -1 0 332.429 2.888 20 30 EFEDRM C=CCn1c([C@H](C)Oc2ccc(F)cc2)n[n-]c1=Nc1cnn(C)c1 ZINC000350740518 241891881 /nfs/dbraw/zinc/89/18/81/241891881.db2.gz DGHDSADZYBPPBN-LBPRGKRZSA-N -1 0 342.378 2.642 20 30 EFEDRM C=C(CNS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000352193880 241921999 /nfs/dbraw/zinc/92/19/99/241921999.db2.gz UTENLNOQNLARQU-UHFFFAOYSA-N -1 0 331.393 2.685 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1-c1ccccc1Cl ZINC000354466185 242001305 /nfs/dbraw/zinc/00/13/05/242001305.db2.gz KEVVEKLBFMCLTB-LLVKDONJSA-N -1 0 338.758 2.509 20 30 EFEDRM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354471710 242001536 /nfs/dbraw/zinc/00/15/36/242001536.db2.gz TWIJGMIDYWHVEZ-AWEZNQCLSA-N -1 0 346.346 2.836 20 30 EFEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)sc2n1 ZINC000356430261 242069453 /nfs/dbraw/zinc/06/94/53/242069453.db2.gz DRAQVODUZLDOGU-JTQLQIEISA-N -1 0 336.380 2.774 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356556824 242076025 /nfs/dbraw/zinc/07/60/25/242076025.db2.gz ZKXRQIATCCJQAF-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc(-c2ccccc2)cs1 ZINC000355075691 242021576 /nfs/dbraw/zinc/02/15/76/242021576.db2.gz AYMXHZNECONZRJ-GFCCVEGCSA-N -1 0 336.376 2.889 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000355182764 242024587 /nfs/dbraw/zinc/02/45/87/242024587.db2.gz QUTSOFNEZYPNIH-AWEZNQCLSA-N -1 0 348.362 2.933 20 30 EFEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000357879329 242109699 /nfs/dbraw/zinc/10/96/99/242109699.db2.gz IYOPTLOHGLUVRK-UHFFFAOYSA-N -1 0 346.408 2.579 20 30 EFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000358498367 242121258 /nfs/dbraw/zinc/12/12/58/242121258.db2.gz QONCTQVCDSVXGZ-GFCCVEGCSA-N -1 0 330.413 2.857 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000359097234 242141807 /nfs/dbraw/zinc/14/18/07/242141807.db2.gz JYNIWXNIBNDMKU-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC000359100547 242143305 /nfs/dbraw/zinc/14/33/05/242143305.db2.gz UGYVLYMDNJPZGU-UHFFFAOYSA-N -1 0 326.331 2.592 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000360277837 242193953 /nfs/dbraw/zinc/19/39/53/242193953.db2.gz FMTWSENQTNHQMY-UHFFFAOYSA-N -1 0 336.804 2.715 20 30 EFEDRM Cn1c2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2[nH]c1=O ZINC000361530858 242224826 /nfs/dbraw/zinc/22/48/26/242224826.db2.gz MFVWOTYLQNFCPE-LBPRGKRZSA-N -1 0 343.346 2.712 20 30 EFEDRM N#CC(=C([O-])c1cnn2ccncc12)c1cc(C(F)(F)F)ccn1 ZINC000362181767 242245342 /nfs/dbraw/zinc/24/53/42/242245342.db2.gz HIQLPBQNAUUQDF-JTQLQIEISA-N -1 0 331.257 2.633 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1cc(C(F)(F)F)ccn1 ZINC000362134843 242246543 /nfs/dbraw/zinc/24/65/43/242246543.db2.gz DKUHUAPXCHJUOE-QMMMGPOBSA-N -1 0 339.298 2.751 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2cc(-c3cnn(C)c3C)no2)s1 ZINC000362231157 242247426 /nfs/dbraw/zinc/24/74/26/242247426.db2.gz RHGURBSYTLMKIK-UHFFFAOYSA-N -1 0 348.457 2.547 20 30 EFEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000362356038 242252350 /nfs/dbraw/zinc/25/23/50/242252350.db2.gz IPRPIAUQDDLKAG-UHFFFAOYSA-N -1 0 345.211 2.904 20 30 EFEDRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000365614530 242330846 /nfs/dbraw/zinc/33/08/46/242330846.db2.gz NNNUWUOTDGSCCL-UONOGXRCSA-N -1 0 341.440 2.826 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1OC ZINC000364200749 242292440 /nfs/dbraw/zinc/29/24/40/242292440.db2.gz KTYWEMWEJHCWIG-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2csc(C(=O)OC)c2)s1 ZINC000412976994 243404348 /nfs/dbraw/zinc/40/43/48/243404348.db2.gz JWEWNTCCYMGJCK-UHFFFAOYSA-N -1 0 327.456 2.698 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)CCCCF)cccc1OC(F)(F)F ZINC000414470528 244179141 /nfs/dbraw/zinc/17/91/41/244179141.db2.gz MMQUSFJEKQZWQB-UHFFFAOYSA-N -1 0 340.298 2.948 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)CCC2CC2)cccc1OC(F)(F)F ZINC000414473549 244183875 /nfs/dbraw/zinc/18/38/75/244183875.db2.gz VYDRYFUXONGXEW-UHFFFAOYSA-N -1 0 334.319 2.999 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1OCC ZINC000048493773 213943623 /nfs/dbraw/zinc/94/36/23/213943623.db2.gz YKAHYZANDBHUGR-ZYHUDNBSSA-N -1 0 327.402 2.785 20 30 EFEDRM Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1-n1cncn1 ZINC000078931707 217149885 /nfs/dbraw/zinc/14/98/85/217149885.db2.gz OTYNJQGYHPRFGD-GORDUTHDSA-N -1 0 331.335 2.711 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000421808588 246123509 /nfs/dbraw/zinc/12/35/09/246123509.db2.gz SCRVVFDZKATHBA-WOPDTQHZSA-N -1 0 336.413 2.755 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3C)cc2[n-]c1=S ZINC000264304865 246323299 /nfs/dbraw/zinc/32/32/99/246323299.db2.gz WYLQRGIZHXHRCN-BXUZGUMPSA-N -1 0 343.452 2.790 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]3C)cc2[n-]c1=S ZINC000264304872 246323319 /nfs/dbraw/zinc/32/33/19/246323319.db2.gz WYLQRGIZHXHRCN-RISCZKNCSA-N -1 0 343.452 2.790 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(F)c1 ZINC000424204026 246695775 /nfs/dbraw/zinc/69/57/75/246695775.db2.gz DCPLWIZQPOGRRD-UHFFFAOYSA-N -1 0 338.339 2.546 20 30 EFEDRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427295043 247334167 /nfs/dbraw/zinc/33/41/67/247334167.db2.gz LOXPTLMGCMTOHA-JTQLQIEISA-N -1 0 336.392 2.974 20 30 EFEDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427295044 247335511 /nfs/dbraw/zinc/33/55/11/247335511.db2.gz LOXPTLMGCMTOHA-SNVBAGLBSA-N -1 0 336.392 2.974 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427136856 247321483 /nfs/dbraw/zinc/32/14/83/247321483.db2.gz MUOWRNQMPGQOAV-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2C2CCCC2)cc1C#N ZINC000089493795 217805303 /nfs/dbraw/zinc/80/53/03/217805303.db2.gz ADGKDQVOQKYBCB-CQSZACIVSA-N -1 0 331.441 2.763 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)c2n1 ZINC000433194430 248025356 /nfs/dbraw/zinc/02/53/56/248025356.db2.gz WZMRZXSJCIYXFO-GFCCVEGCSA-N -1 0 330.351 2.713 20 30 EFEDRM CC(=Cc1cnc(C(F)(F)F)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340870 248226967 /nfs/dbraw/zinc/22/69/67/248226967.db2.gz OEOKEOGDROXCLV-UTCJRWHESA-N -1 0 326.303 2.986 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)C2(c3cccc(C#N)c3)CC2)s[n-]1 ZINC000435364136 248231203 /nfs/dbraw/zinc/23/12/03/248231203.db2.gz PMNGBSGTYSEIBE-UHFFFAOYSA-N -1 0 326.425 2.799 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)s1 ZINC000435485204 248245827 /nfs/dbraw/zinc/24/58/27/248245827.db2.gz UHILVDJKGRLOOZ-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)s1 ZINC000435481841 248246096 /nfs/dbraw/zinc/24/60/96/248246096.db2.gz FXHFNCYDEXNLOS-UHFFFAOYSA-N -1 0 348.384 2.745 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)s1 ZINC000435504381 248247154 /nfs/dbraw/zinc/24/71/54/248247154.db2.gz ZLERGFUAIYPJGL-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000439625307 249844699 /nfs/dbraw/zinc/84/46/99/249844699.db2.gz ZEQSQZSIYSMOBS-UHFFFAOYSA-N -1 0 347.444 2.624 20 30 EFEDRM N#CC1CCC(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000440642927 249947311 /nfs/dbraw/zinc/94/73/11/249947311.db2.gz MQNUTWXLGKEQSW-UHFFFAOYSA-N -1 0 327.344 2.809 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441385939 250025907 /nfs/dbraw/zinc/02/59/07/250025907.db2.gz OABNFFQTFWIBJM-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000442619647 250090802 /nfs/dbraw/zinc/09/08/02/250090802.db2.gz KTNMKBSLZXYPHN-CABZTGNLSA-N -1 0 347.234 2.793 20 30 EFEDRM COCCOc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OC ZINC000442622831 250092132 /nfs/dbraw/zinc/09/21/32/250092132.db2.gz RLXBKOYZIWFYLF-UHFFFAOYSA-N -1 0 342.351 2.550 20 30 EFEDRM Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(C#N)c([O-])c3)c2)n[nH]1 ZINC000442683470 250103446 /nfs/dbraw/zinc/10/34/46/250103446.db2.gz VZDVHHASGAWGGS-UHFFFAOYSA-N -1 0 333.351 2.918 20 30 EFEDRM CCOc1cc2c(cc1NC(=O)c1ccc(C#N)c([O-])c1)OCCO2 ZINC000442799398 250121430 /nfs/dbraw/zinc/12/14/30/250121430.db2.gz IANYOZCHILSOJH-UHFFFAOYSA-N -1 0 340.335 2.686 20 30 EFEDRM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442657565 250096881 /nfs/dbraw/zinc/09/68/81/250096881.db2.gz YMBOJPYFWWQFAT-UHFFFAOYSA-N -1 0 338.363 2.967 20 30 EFEDRM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C#N)c([O-])c1 ZINC000442661231 250097514 /nfs/dbraw/zinc/09/75/14/250097514.db2.gz XVEGDSWBPQXXTM-UHFFFAOYSA-N -1 0 335.363 2.815 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nnn1C ZINC000442672535 250100145 /nfs/dbraw/zinc/10/01/45/250100145.db2.gz QSQBNVCSCPJWCJ-SECBINFHSA-N -1 0 331.788 2.877 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCOC3)s1 ZINC000095349737 218283558 /nfs/dbraw/zinc/28/35/58/218283558.db2.gz YKVMRTGHVVRRIV-UHFFFAOYSA-N -1 0 343.451 2.884 20 30 EFEDRM COc1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2c1 ZINC000446764208 250528094 /nfs/dbraw/zinc/52/80/94/250528094.db2.gz DYTWJLWURRYVIT-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM O=C([O-])c1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccn1 ZINC000237977581 304222537 /nfs/dbraw/zinc/22/25/37/304222537.db2.gz PMRNGWIQKJALNI-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000096003071 218505301 /nfs/dbraw/zinc/50/53/01/218505301.db2.gz SVSIKPNIWQSKBM-QGZVFWFLSA-N -1 0 340.379 2.877 20 30 EFEDRM O=C([O-])c1ccc(/C=C2/CCc3c(cnn3-c3ncccn3)C2=O)cc1 ZINC000366530523 304231484 /nfs/dbraw/zinc/23/14/84/304231484.db2.gz LRWAMTIKZBSPSC-UVTDQMKNSA-N -1 0 346.346 2.573 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC000455898192 255625055 /nfs/dbraw/zinc/62/50/55/255625055.db2.gz IALWZWDIXRGTQC-INIZCTEOSA-N -1 0 347.411 2.784 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cnn(CC)c1)c1ccc(F)cc1 ZINC000097142067 258068655 /nfs/dbraw/zinc/06/86/55/258068655.db2.gz ZPURAUWQJXTYRE-AWEZNQCLSA-N -1 0 339.392 2.881 20 30 EFEDRM COc1ccc2sc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c(C)c2c1 ZINC000175293689 533366188 /nfs/dbraw/zinc/36/61/88/533366188.db2.gz SJNYZRHSDQUMRW-UHFFFAOYSA-N -1 0 337.364 2.937 20 30 EFEDRM CC(=Cc1cnc(C(F)(F)F)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340871 533413589 /nfs/dbraw/zinc/41/35/89/533413589.db2.gz OEOKEOGDROXCLV-ZZXKWVIFSA-N -1 0 326.303 2.986 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)cc1Cl ZINC000107022952 141356719 /nfs/dbraw/zinc/35/67/19/141356719.db2.gz HWRPUKKPFIVEHY-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM C[C@H](CN(C)c1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC000263558715 141405109 /nfs/dbraw/zinc/40/51/09/141405109.db2.gz PWOFWJFQMKMGRZ-GFCCVEGCSA-N -1 0 326.400 2.641 20 30 EFEDRM CC(C)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344526255 142034381 /nfs/dbraw/zinc/03/43/81/142034381.db2.gz JPSRNDINRLESQY-HNNXBMFYSA-N -1 0 336.388 2.836 20 30 EFEDRM C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(C#N)cc1 ZINC000344859032 142088156 /nfs/dbraw/zinc/08/81/56/142088156.db2.gz HZHFOEATYGGUFF-CYBMUJFWSA-N -1 0 332.363 2.941 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000346009227 142132828 /nfs/dbraw/zinc/13/28/28/142132828.db2.gz YBFRWWJWANDWCB-CZUORRHYSA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1cccc(OCc2cccc(C(=O)N=c3cccn[n-]3)c2)c1 ZINC000346064334 142141863 /nfs/dbraw/zinc/14/18/63/142141863.db2.gz IXZLFCOCNDYDNU-UHFFFAOYSA-N -1 0 330.347 2.601 20 30 EFEDRM N#Cc1cc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])ccc1F ZINC000339930319 144882679 /nfs/dbraw/zinc/88/26/79/144882679.db2.gz ZJWYVYGCCVVBQV-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(-c3ccccc3OC)o2)cc1C#N ZINC000340702034 144920333 /nfs/dbraw/zinc/92/03/33/144920333.db2.gz HYXPZJJDGNTCCU-UHFFFAOYSA-N -1 0 336.351 2.659 20 30 EFEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C1CC1 ZINC000340941436 144957682 /nfs/dbraw/zinc/95/76/82/144957682.db2.gz QPOTWHJRMBLSBZ-JTQLQIEISA-N -1 0 334.401 2.997 20 30 EFEDRM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000340980851 144965955 /nfs/dbraw/zinc/96/59/55/144965955.db2.gz YUGRAVIRKZZSHS-UHFFFAOYSA-N -1 0 349.437 2.512 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C#N ZINC000340983615 144967036 /nfs/dbraw/zinc/96/70/36/144967036.db2.gz QVXABSCPERLYCP-UHFFFAOYSA-N -1 0 331.353 2.611 20 30 EFEDRM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)o1)(c1ccccc1)C(F)(F)F ZINC000342463782 145131722 /nfs/dbraw/zinc/13/17/22/145131722.db2.gz GDCWIUBKPCPNJU-CYBMUJFWSA-N -1 0 344.314 2.907 20 30 EFEDRM COCc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)o3)nc21 ZINC000342472598 145133620 /nfs/dbraw/zinc/13/36/20/145133620.db2.gz BQGATDXSMHZDEW-UHFFFAOYSA-N -1 0 349.393 2.708 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)o1 ZINC000342581814 145153723 /nfs/dbraw/zinc/15/37/23/145153723.db2.gz KPGGDVNKNICLJH-UHFFFAOYSA-N -1 0 333.300 2.746 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(F)c1 ZINC000342607362 145158473 /nfs/dbraw/zinc/15/84/73/145158473.db2.gz RKIKHXNUIDCLEZ-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)s1 ZINC000343813082 145300413 /nfs/dbraw/zinc/30/04/13/145300413.db2.gz OILRSDGKSUROQX-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc(C(=O)[O-])c1C ZINC000348455991 145950739 /nfs/dbraw/zinc/95/07/39/145950739.db2.gz PZBXMMDCQYXSSP-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cn1 ZINC000350729650 146084869 /nfs/dbraw/zinc/08/48/69/146084869.db2.gz MNWXCBFEBDQGAO-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Br ZINC000351113318 146111693 /nfs/dbraw/zinc/11/16/93/146111693.db2.gz YOPFQFYZYPTLGN-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)cc1 ZINC000351112797 146111744 /nfs/dbraw/zinc/11/17/44/146111744.db2.gz WIYVUEOIVQKKJI-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM COCc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000351183992 146114678 /nfs/dbraw/zinc/11/46/78/146114678.db2.gz XRDCIEMIFBVDIK-UHFFFAOYSA-N -1 0 343.817 2.615 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)cn1 ZINC000351218743 146117083 /nfs/dbraw/zinc/11/70/83/146117083.db2.gz FYYLCRZZMMRNLU-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C#N ZINC000356158544 147163120 /nfs/dbraw/zinc/16/31/20/147163120.db2.gz FNEAJHGVLACJJH-UHFFFAOYSA-N -1 0 330.216 2.561 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1C ZINC000356676632 147307066 /nfs/dbraw/zinc/30/70/66/147307066.db2.gz FVNLYGLITLVSDP-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccc(Br)cc2)c1C#N ZINC000357266536 147473268 /nfs/dbraw/zinc/47/32/68/147473268.db2.gz XTSDPAVAVVTMHP-QMMMGPOBSA-N -1 0 333.189 2.516 20 30 EFEDRM N#Cc1c(COc2ccc(-c3n[n-]c(=N)o3)cc2)cn2ccccc12 ZINC000359396073 148075237 /nfs/dbraw/zinc/07/52/37/148075237.db2.gz UGMXLIWYBYRQAD-UHFFFAOYSA-N -1 0 331.335 2.853 20 30 EFEDRM N#Cc1cccc(OCCCOc2ccc(-c3n[n-]c(=N)o3)cc2)c1 ZINC000359400219 148075930 /nfs/dbraw/zinc/07/59/30/148075930.db2.gz ZWEZHDPSUHKLEY-UHFFFAOYSA-N -1 0 336.351 2.869 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000359468093 148093706 /nfs/dbraw/zinc/09/37/06/148093706.db2.gz BZIJHJWUIKOXAH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000359721762 148171963 /nfs/dbraw/zinc/17/19/63/148171963.db2.gz YRFSMZXPNLZMLL-UHFFFAOYSA-N -1 0 335.342 2.967 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)c2cccc(Br)c2)c1C#N ZINC000360454983 148365571 /nfs/dbraw/zinc/36/55/71/148365571.db2.gz LKIOMMCRVZMUPR-MRVPVSSYSA-N -1 0 333.189 2.516 20 30 EFEDRM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000361130295 148550206 /nfs/dbraw/zinc/55/02/06/148550206.db2.gz GHOYNLCCZBCFHX-UHFFFAOYSA-N -1 0 333.369 2.547 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000362689905 148868819 /nfs/dbraw/zinc/86/88/19/148868819.db2.gz DMDOVARCVBZFSF-FZKQIMNGSA-N -1 0 338.363 2.515 20 30 EFEDRM Cc1nc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)ccc1C#N ZINC000365277089 149360508 /nfs/dbraw/zinc/36/05/08/149360508.db2.gz IKKARESAZNDWPF-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM COCC1(C#N)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436730184 292207833 /nfs/dbraw/zinc/20/78/33/292207833.db2.gz VQXDZDWSCHZVTO-UHFFFAOYSA-N -1 0 326.755 2.577 20 30 EFEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC(C)(C)C1 ZINC000408486922 152199010 /nfs/dbraw/zinc/19/90/10/152199010.db2.gz KOLFSWBTLWOTDT-QWHCGFSZSA-N -1 0 349.456 2.611 20 30 EFEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000123339509 222259134 /nfs/dbraw/zinc/25/91/34/222259134.db2.gz IVTXBSBMLNKPFP-UHFFFAOYSA-N -1 0 348.428 2.517 20 30 EFEDRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000123363112 222264209 /nfs/dbraw/zinc/26/42/09/222264209.db2.gz BREWRSZVGXCMKS-UHFFFAOYSA-N -1 0 332.429 2.681 20 30 EFEDRM N#CC(=C([O-])c1occc1Br)c1nnc2n1CCCCC2 ZINC000083764844 544504747 /nfs/dbraw/zinc/50/47/47/544504747.db2.gz YCMONGVHALHNON-SECBINFHSA-N -1 0 349.188 2.850 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1C(C)C ZINC000092695708 544550206 /nfs/dbraw/zinc/55/02/06/544550206.db2.gz YDTNKUBCECSWSO-ZDUSSCGKSA-N -1 0 326.404 2.580 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000509520989 269903315 /nfs/dbraw/zinc/90/33/15/269903315.db2.gz FUNMUYGCVDNXPN-UHFFFAOYSA-N -1 0 334.404 2.983 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000281656708 269952744 /nfs/dbraw/zinc/95/27/44/269952744.db2.gz NFMCNGDXEUOQQB-QMMMGPOBSA-N -1 0 336.310 2.550 20 30 EFEDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048597750 263985078 /nfs/dbraw/zinc/98/50/78/263985078.db2.gz JHJWIVRDUGPACI-UHFFFAOYSA-N -1 0 330.365 2.650 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]C(=O)/C=C\c2cccc(C#N)c2)c1 ZINC000492749265 270032771 /nfs/dbraw/zinc/03/27/71/270032771.db2.gz GIJGSZWPRQEZNE-HJWRWDBZSA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(F)C[C@H]1C ZINC000530019436 270035459 /nfs/dbraw/zinc/03/54/59/270035459.db2.gz XIXGACBKDCNHNA-SNVBAGLBSA-N -1 0 337.370 2.855 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)[n-]1 ZINC000532087629 270035681 /nfs/dbraw/zinc/03/56/81/270035681.db2.gz GNGTVKVBRKEVSE-CYBMUJFWSA-N -1 0 338.411 2.652 20 30 EFEDRM Cc1csc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1Br ZINC000190881498 265242872 /nfs/dbraw/zinc/24/28/72/265242872.db2.gz WDTNFEVONIYFHQ-UHFFFAOYSA-N -1 0 336.174 2.538 20 30 EFEDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290622002 266363429 /nfs/dbraw/zinc/36/34/29/266363429.db2.gz KNFUQRKIQNIULE-GFCCVEGCSA-N -1 0 331.397 2.931 20 30 EFEDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cncc(C#N)c3)sc2C1 ZINC000290889840 266372043 /nfs/dbraw/zinc/37/20/43/266372043.db2.gz CSQGMOVXMCUUAK-SNVBAGLBSA-N -1 0 348.453 2.725 20 30 EFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000530972804 266879545 /nfs/dbraw/zinc/87/95/45/266879545.db2.gz IMKJZWBDSKAFHK-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1F ZINC000277127417 267118272 /nfs/dbraw/zinc/11/82/72/267118272.db2.gz ZSXCPUDRTSGFJU-UHFFFAOYSA-N -1 0 334.376 2.548 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)sc1Cl ZINC000276836110 267359332 /nfs/dbraw/zinc/35/93/32/267359332.db2.gz IEVKQSYNQSLMGK-UHFFFAOYSA-N -1 0 342.833 2.983 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(F)cc1F ZINC000276818962 267359411 /nfs/dbraw/zinc/35/94/11/267359411.db2.gz FRBYKZZJLSVOES-UHFFFAOYSA-N -1 0 338.339 2.546 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1C#N ZINC000441316024 268056383 /nfs/dbraw/zinc/05/63/83/268056383.db2.gz DNXAXTOEYKHCTO-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000472322766 268069438 /nfs/dbraw/zinc/06/94/38/268069438.db2.gz SQDBNFLTCVPQDU-UHFFFAOYSA-N -1 0 334.383 2.504 20 30 EFEDRM N#Cc1c(F)ccc(CN=c2[n-]nc(-c3ccncc3)o2)c1Cl ZINC000432433118 268161442 /nfs/dbraw/zinc/16/14/42/268161442.db2.gz ZOXDCHUZGVUGHJ-UHFFFAOYSA-N -1 0 329.722 2.830 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)o1 ZINC000288495801 268207396 /nfs/dbraw/zinc/20/73/96/268207396.db2.gz TWNBUYCRSHBHMZ-UHFFFAOYSA-N -1 0 331.397 2.942 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)o1 ZINC000288417360 268207801 /nfs/dbraw/zinc/20/78/01/268207801.db2.gz GXDIHXPPFMZYSW-UHFFFAOYSA-N -1 0 332.381 2.879 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cn1 ZINC000432350204 268261492 /nfs/dbraw/zinc/26/14/92/268261492.db2.gz CESQEAKNBVHNOP-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000282014098 273502261 /nfs/dbraw/zinc/50/22/61/273502261.db2.gz OQGDIIWELPPOMZ-UHFFFAOYSA-N -1 0 330.413 2.964 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(C3CCOCC3)cs2)c1 ZINC000285016405 273927018 /nfs/dbraw/zinc/92/70/18/273927018.db2.gz HETWLZFMZYLHGE-UHFFFAOYSA-N -1 0 349.437 2.710 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000067456270 279725781 /nfs/dbraw/zinc/72/57/81/279725781.db2.gz JZFWPXOPVURGOW-GFOFROLCSA-N -1 0 340.379 2.807 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)[n-]1 ZINC000345183622 280763247 /nfs/dbraw/zinc/76/32/47/280763247.db2.gz CPGIERNBNUCKLZ-FXAWDEMLSA-N -1 0 334.423 2.990 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1 ZINC000069676292 292711305 /nfs/dbraw/zinc/71/13/05/292711305.db2.gz QBBNCGBQXTVILF-UHFFFAOYSA-N -1 0 335.388 2.843 20 30 EFEDRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000075082616 292741786 /nfs/dbraw/zinc/74/17/86/292741786.db2.gz PUGABZGRDCGIDO-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125917565 293020465 /nfs/dbraw/zinc/02/04/65/293020465.db2.gz OGKNTKGVNGVRDB-STQMWFEESA-N -1 0 346.424 2.789 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1C#N ZINC000152640022 293342966 /nfs/dbraw/zinc/34/29/66/293342966.db2.gz YIIPAMSNBAJFDV-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)cc1 ZINC000153435573 293375242 /nfs/dbraw/zinc/37/52/42/293375242.db2.gz AYYPGVDTAIIRJL-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158135781 293565528 /nfs/dbraw/zinc/56/55/28/293565528.db2.gz FQAZCTRMONPGFR-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000255714503 293881074 /nfs/dbraw/zinc/88/10/74/293881074.db2.gz ZUTGOZRXFOIHOK-KHPPLWFESA-N -1 0 340.404 2.526 20 30 EFEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1[N+](=O)[O-] ZINC000358972187 295062929 /nfs/dbraw/zinc/06/29/29/295062929.db2.gz DZEWOBFVWMLRKT-DJWKRKHSSA-N -1 0 325.280 2.739 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000191102406 303208966 /nfs/dbraw/zinc/20/89/66/303208966.db2.gz BQTVJAQSCIBREK-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1C#N ZINC000137280976 310668345 /nfs/dbraw/zinc/66/83/45/310668345.db2.gz MBSZYAPJVMBXLX-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137626291 310669729 /nfs/dbraw/zinc/66/97/29/310669729.db2.gz WDIUFGNHENEQKA-UHFFFAOYSA-N -1 0 340.408 2.971 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1F ZINC000137670466 310669761 /nfs/dbraw/zinc/66/97/61/310669761.db2.gz JNKFTIHXBFVDDH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cn1 ZINC000150821484 310675403 /nfs/dbraw/zinc/67/54/03/310675403.db2.gz YCERQRYEXCPXLI-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000160657493 310701390 /nfs/dbraw/zinc/70/13/90/310701390.db2.gz XJQWCOWUTPEYBC-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000164017266 310729165 /nfs/dbraw/zinc/72/91/65/310729165.db2.gz DIFVPOOENUTGIK-UHFFFAOYSA-N -1 0 344.318 2.554 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)ccc1C(=O)[O-] ZINC000320593678 311238027 /nfs/dbraw/zinc/23/80/27/311238027.db2.gz WGDUVXSGGMHDAZ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1 ZINC000324340033 311241591 /nfs/dbraw/zinc/24/15/91/311241591.db2.gz YOPPAMFNBRDVHK-UHFFFAOYSA-N -1 0 344.392 2.537 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000326159002 311243756 /nfs/dbraw/zinc/24/37/56/311243756.db2.gz HQMHSCXRSIJYTR-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000539554458 317722718 /nfs/dbraw/zinc/72/27/18/317722718.db2.gz VHQXOUMONMJPLF-UHFFFAOYSA-N -1 0 325.390 2.907 20 30 EFEDRM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542101317 317803809 /nfs/dbraw/zinc/80/38/09/317803809.db2.gz UBALHBQNYJEWNW-NSHDSACASA-N -1 0 333.351 2.540 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000545294022 317918045 /nfs/dbraw/zinc/91/80/45/317918045.db2.gz QUHGHTOBWUIBOZ-NSHDSACASA-N -1 0 344.392 2.691 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000547414247 318005184 /nfs/dbraw/zinc/00/51/84/318005184.db2.gz OIQKVVRUXFUORR-UHFFFAOYSA-N -1 0 345.405 2.977 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000547414957 318005358 /nfs/dbraw/zinc/00/53/58/318005358.db2.gz WWBIEEKUCKBZQX-UHFFFAOYSA-N -1 0 327.365 2.548 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)Oc2cnc3ccccc3c2)[n-]1 ZINC000547771463 318039490 /nfs/dbraw/zinc/03/94/90/318039490.db2.gz IHYJYPDMRJTCJY-ZDUSSCGKSA-N -1 0 349.394 2.712 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000548544923 318118777 /nfs/dbraw/zinc/11/87/77/318118777.db2.gz YFMUCNROZNQGGW-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(C)c1 ZINC000563764793 318814593 /nfs/dbraw/zinc/81/45/93/318814593.db2.gz XTPDXEOQXAUJSH-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000566238591 319051074 /nfs/dbraw/zinc/05/10/74/319051074.db2.gz CGGBPVSWKPELID-GXTWGEPZSA-N -1 0 345.399 2.920 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)s1 ZINC000566311830 319061690 /nfs/dbraw/zinc/06/16/90/319061690.db2.gz IYVVJBKEWIIOBY-UHFFFAOYSA-N -1 0 338.458 2.840 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC000570665071 319499823 /nfs/dbraw/zinc/49/98/23/319499823.db2.gz REGXITNBKYUWTA-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc3c(c2)CC(C)(C)O3)[n-]1 ZINC000572485422 319674482 /nfs/dbraw/zinc/67/44/82/319674482.db2.gz SFSAVDNZFXCQBB-UHFFFAOYSA-N -1 0 338.411 2.897 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000574453316 319863831 /nfs/dbraw/zinc/86/38/31/319863831.db2.gz NOSRJZMPDAQFSP-DOMZBBRYSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(=Cc1cnc(-c2ccccc2)nc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000576299518 320003336 /nfs/dbraw/zinc/00/33/36/320003336.db2.gz GXDAKVBLZVJWOY-WQLSENKSSA-N -1 0 329.363 2.968 20 30 EFEDRM COc1ccc([C@@H](NC(=O)Nc2cccc(C#N)c2)C(=O)[O-])cc1F ZINC000578110063 320173213 /nfs/dbraw/zinc/17/32/13/320173213.db2.gz MRUFXILJUUPDLT-OAHLLOKOSA-N -1 0 343.314 2.653 20 30 EFEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccn1 ZINC000578707865 320230200 /nfs/dbraw/zinc/23/02/00/320230200.db2.gz RRVBFEWQAQZVIV-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000181142133 323228468 /nfs/dbraw/zinc/22/84/68/323228468.db2.gz JDHKBUNISXLFJX-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000581153725 324316275 /nfs/dbraw/zinc/31/62/75/324316275.db2.gz YQEPZGYGOHRECQ-UHFFFAOYSA-N -1 0 348.380 2.862 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)s1 ZINC000619196769 450424547 /nfs/dbraw/zinc/42/45/47/450424547.db2.gz QMJPZDYOAWIZFA-UHFFFAOYSA-N -1 0 349.315 2.556 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1C#N ZINC000137438054 473205524 /nfs/dbraw/zinc/20/55/24/473205524.db2.gz AEECTHBTUGSWNQ-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCC1=O ZINC000095461487 473208701 /nfs/dbraw/zinc/20/87/01/473208701.db2.gz HDDXQEPLUUSFPR-UWVGGRQHSA-N -1 0 329.805 2.991 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)cc1C#N ZINC000124157292 473215919 /nfs/dbraw/zinc/21/59/19/473215919.db2.gz IZNKNMPZVKHQMS-ZDUSSCGKSA-N -1 0 339.420 2.598 20 30 EFEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cccnc1 ZINC000111995040 473238123 /nfs/dbraw/zinc/23/81/23/473238123.db2.gz WOMFQJNCEZCBLG-UHFFFAOYSA-N -1 0 335.388 2.677 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccs2)ncc1Br ZINC000095995722 473249132 /nfs/dbraw/zinc/24/91/32/473249132.db2.gz SMZNVULNVJHPCE-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c1 ZINC000096008074 473254231 /nfs/dbraw/zinc/25/42/31/473254231.db2.gz LEGFXTAQVXDOKJ-UHFFFAOYSA-N -1 0 341.820 2.886 20 30 EFEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000124581395 473266976 /nfs/dbraw/zinc/26/69/76/473266976.db2.gz FOJDEZYAJWPEPP-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000184937934 473278101 /nfs/dbraw/zinc/27/81/01/473278101.db2.gz KWHSIQVQJWDUKH-VIFPVBQESA-N -1 0 344.820 2.517 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000185000538 473296161 /nfs/dbraw/zinc/29/61/61/473296161.db2.gz DELWVFLASVBMFE-UHFFFAOYSA-N -1 0 344.458 2.787 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncc(C#N)s2)c1 ZINC000610725577 469052781 /nfs/dbraw/zinc/05/27/81/469052781.db2.gz GISUMWSBJKSFHR-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1C(F)(F)F ZINC000083577138 473352545 /nfs/dbraw/zinc/35/25/45/473352545.db2.gz BRAHGMPPWBCGKN-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000185189898 473356289 /nfs/dbraw/zinc/35/62/89/473356289.db2.gz UFMZYOUEDSGBFU-SECBINFHSA-N -1 0 341.758 2.654 20 30 EFEDRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000096298232 473372519 /nfs/dbraw/zinc/37/25/19/473372519.db2.gz HZLZBONCKMABEG-RUDMXATFSA-N -1 0 346.330 2.738 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)C=Cc1ccc2ccccc2n1 ZINC000083942187 473373752 /nfs/dbraw/zinc/37/37/52/473373752.db2.gz QCIBHAIQMOYYAR-VMPCVLLUSA-N -1 0 334.397 2.569 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000619780519 479883237 /nfs/dbraw/zinc/88/32/37/479883237.db2.gz VBORXGSLQSRSNO-UHFFFAOYSA-N -1 0 331.715 2.755 20 30 EFEDRM C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)CC(F)(F)F ZINC000416603020 477235170 /nfs/dbraw/zinc/23/51/70/477235170.db2.gz KEYXITFCJNDFSZ-ZETCQYMHSA-N -1 0 342.289 2.703 20 30 EFEDRM C=CCn1c(=N)[n-]nc1SCc1c(Cl)cccc1C(=O)OC ZINC000505664117 478878883 /nfs/dbraw/zinc/87/88/83/478878883.db2.gz OMQMVAZQHWVJAW-UHFFFAOYSA-N -1 0 338.820 2.609 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCC[C@H]3C#N)s2)cc1 ZINC000613144508 479890092 /nfs/dbraw/zinc/89/00/92/479890092.db2.gz ZPCCLGROZLGEIK-UONOGXRCSA-N -1 0 341.440 2.673 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000008345724 471683542 /nfs/dbraw/zinc/68/35/42/471683542.db2.gz LBTZALSTGVNJMK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013093507 471816835 /nfs/dbraw/zinc/81/68/35/471816835.db2.gz BNEJQAKRPWUQRU-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013093498 471817030 /nfs/dbraw/zinc/81/70/30/471817030.db2.gz IDOWACCPSVIDCN-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C(F)(F)F ZINC000613286948 479953171 /nfs/dbraw/zinc/95/31/71/479953171.db2.gz ZNQUTKIZMMEHHR-VIFPVBQESA-N -1 0 347.300 2.816 20 30 EFEDRM N#Cc1nc(NC(=O)CCc2ccccc2OC(F)(F)F)[n-]c1C#N ZINC000067150930 471998973 /nfs/dbraw/zinc/99/89/73/471998973.db2.gz VYSMQVHTAPCPLO-UHFFFAOYSA-N -1 0 349.272 2.623 20 30 EFEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC(C)(C)C1 ZINC000067600765 472056555 /nfs/dbraw/zinc/05/65/55/472056555.db2.gz HWIZQOCGRBVNDE-RYUDHWBXSA-N -1 0 327.450 2.918 20 30 EFEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC(C)(C)C1 ZINC000067600764 472057143 /nfs/dbraw/zinc/05/71/43/472057143.db2.gz HWIZQOCGRBVNDE-NEPJUHHUSA-N -1 0 327.450 2.918 20 30 EFEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000041544125 472068965 /nfs/dbraw/zinc/06/89/65/472068965.db2.gz IZMGELIJLSMNOF-HNNXBMFYSA-N -1 0 333.347 2.954 20 30 EFEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562822 472069402 /nfs/dbraw/zinc/06/94/02/472069402.db2.gz FDHBPFSKPORTSQ-OAHLLOKOSA-N -1 0 347.378 2.778 20 30 EFEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1 ZINC000041561502 472069579 /nfs/dbraw/zinc/06/95/79/472069579.db2.gz DGYANZWFQGKDEX-SECBINFHSA-N -1 0 333.804 2.749 20 30 EFEDRM COc1ccc(C)cc1CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000025557755 472101892 /nfs/dbraw/zinc/10/18/92/472101892.db2.gz ULSPUJFJHONZTF-UHFFFAOYSA-N -1 0 343.408 2.628 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)nc(C)n1 ZINC000067893488 472106315 /nfs/dbraw/zinc/10/63/15/472106315.db2.gz GINMYASLDCMNCR-HNNXBMFYSA-N -1 0 335.342 2.908 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2COC)n1 ZINC000067897774 472106627 /nfs/dbraw/zinc/10/66/27/472106627.db2.gz KRQXKURUNXSYOX-CYBMUJFWSA-N -1 0 344.392 2.956 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)ccc2OC)n1 ZINC000067894237 472106852 /nfs/dbraw/zinc/10/68/52/472106852.db2.gz ZQCIKYYSTXBABV-LLVKDONJSA-N -1 0 348.355 2.958 20 30 EFEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1-n1cccc1 ZINC000054733979 472112751 /nfs/dbraw/zinc/11/27/51/472112751.db2.gz UNDJTEFMXBMWPX-LBPRGKRZSA-N -1 0 331.335 2.842 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)cc1 ZINC000054802316 472116872 /nfs/dbraw/zinc/11/68/72/472116872.db2.gz QBXFMBDPBKCXSO-TWGQIWQCSA-N -1 0 340.331 2.817 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)c(F)c2)cc1C#N ZINC000027608686 472187726 /nfs/dbraw/zinc/18/77/26/472187726.db2.gz XETCMNWSNRHXSX-UHFFFAOYSA-N -1 0 331.372 2.758 20 30 EFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000076017097 472240788 /nfs/dbraw/zinc/24/07/88/472240788.db2.gz NDRSNFJJLXDSLD-ZHACJKMWSA-N -1 0 332.425 2.641 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(-n2cncn2)c(F)c1 ZINC000044919505 472353584 /nfs/dbraw/zinc/35/35/84/472353584.db2.gz SIGWXBASKCVCTE-DAFODLJHSA-N -1 0 335.298 2.542 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C#N ZINC000031432954 472378358 /nfs/dbraw/zinc/37/83/58/472378358.db2.gz GBONZDAZBLBAND-JTQLQIEISA-N -1 0 338.392 2.743 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)c1 ZINC000057124026 472383453 /nfs/dbraw/zinc/38/34/53/472383453.db2.gz ZCRDKDIGECTDGT-UHFFFAOYSA-N -1 0 347.392 2.839 20 30 EFEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000057123176 472383570 /nfs/dbraw/zinc/38/35/70/472383570.db2.gz KGXUQTXMBUNNNU-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCCOC2CCCCC2)cc1C#N ZINC000031893760 472400602 /nfs/dbraw/zinc/40/06/02/472400602.db2.gz NZHQWPJWZACFNR-UHFFFAOYSA-N -1 0 349.456 2.850 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)CCC3)cc1C#N ZINC000031911584 472401286 /nfs/dbraw/zinc/40/12/86/472401286.db2.gz HGSCWPUHLVDFEW-UHFFFAOYSA-N -1 0 332.410 2.578 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cncc(F)c1 ZINC000097014667 472408666 /nfs/dbraw/zinc/40/86/66/472408666.db2.gz LQQKSJHZFZVDLB-UHFFFAOYSA-N -1 0 332.715 2.707 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2n[nH]cc21 ZINC000076936721 472426823 /nfs/dbraw/zinc/42/68/23/472426823.db2.gz VLBSFKWEBUJALA-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(Cl)c1 ZINC000097053760 472428869 /nfs/dbraw/zinc/42/88/69/472428869.db2.gz IVSPPWIPIAJVQL-UHFFFAOYSA-N -1 0 334.788 2.680 20 30 EFEDRM N#Cc1nc(NC(=O)c2cccc(Oc3nccs3)c2)[n-]c1C#N ZINC000076990355 472441377 /nfs/dbraw/zinc/44/13/77/472441377.db2.gz QIXKLQMZVDYSGV-UHFFFAOYSA-N -1 0 336.336 2.654 20 30 EFEDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000117095152 472454515 /nfs/dbraw/zinc/45/45/15/472454515.db2.gz VWPOHACOHIMAQA-VOTSOKGWSA-N -1 0 326.805 2.619 20 30 EFEDRM N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097138732 472460049 /nfs/dbraw/zinc/46/00/49/472460049.db2.gz WYLOYDXWGUHPTM-UHFFFAOYSA-N -1 0 332.356 2.780 20 30 EFEDRM CCn1nccc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000097164007 472470532 /nfs/dbraw/zinc/47/05/32/472470532.db2.gz CDLGDZGIHINEII-UHFFFAOYSA-N -1 0 348.211 2.903 20 30 EFEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000069938102 472471197 /nfs/dbraw/zinc/47/11/97/472471197.db2.gz OLZYJEZVWSCSFK-CQSZACIVSA-N -1 0 334.383 2.551 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)cc1C#N ZINC000077212578 472475859 /nfs/dbraw/zinc/47/58/59/472475859.db2.gz WMWWRGOTWPVIGK-GFCCVEGCSA-N -1 0 344.396 2.655 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)CO2 ZINC000129538431 472550591 /nfs/dbraw/zinc/55/05/91/472550591.db2.gz XKBURQPZDYMMDW-WDZFZDKYSA-N -1 0 327.292 2.968 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000071846861 472583308 /nfs/dbraw/zinc/58/33/08/472583308.db2.gz OEDYVSNVEAPBOR-LJQANCHMSA-N -1 0 338.363 2.938 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000071883905 472598975 /nfs/dbraw/zinc/59/89/75/472598975.db2.gz SQAXLVCCQDNAIG-SSDOTTSWSA-N -1 0 343.298 2.915 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130454649 472606060 /nfs/dbraw/zinc/60/60/60/472606060.db2.gz NSYOWCIFGGHFBH-UHFFFAOYSA-N -1 0 328.299 2.715 20 30 EFEDRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000077958003 472643377 /nfs/dbraw/zinc/64/33/77/472643377.db2.gz PRRGJYLKGJDCPG-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131236246 472658043 /nfs/dbraw/zinc/65/80/43/472658043.db2.gz KBKOMZCHRDOHFP-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000156072536 472662473 /nfs/dbraw/zinc/66/24/73/472662473.db2.gz SPUMKQWTPOBROW-UHFFFAOYSA-N -1 0 339.420 2.797 20 30 EFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091014339 472674775 /nfs/dbraw/zinc/67/47/75/472674775.db2.gz LVFKTMBGDJEUBY-UHFFFAOYSA-N -1 0 348.449 2.529 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)sc1C ZINC000091018576 472675721 /nfs/dbraw/zinc/67/57/21/472675721.db2.gz SZYQVOCFPKGENE-UHFFFAOYSA-N -1 0 338.458 2.989 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1 ZINC000091018888 472676317 /nfs/dbraw/zinc/67/63/17/472676317.db2.gz ZFNWZIDQPQBKBY-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM CN(CCC#N)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000120413071 472683303 /nfs/dbraw/zinc/68/33/03/472683303.db2.gz OOTIBIWNERMVPA-UHFFFAOYSA-N -1 0 338.289 2.582 20 30 EFEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000078285755 472687777 /nfs/dbraw/zinc/68/77/77/472687777.db2.gz GHYJOKCPJRBKSU-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000156309620 472689749 /nfs/dbraw/zinc/68/97/49/472689749.db2.gz UKWOJIDZAVERNL-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N(C)c2cccc(C#N)c2)c1 ZINC000156309481 472690171 /nfs/dbraw/zinc/69/01/71/472690171.db2.gz WAVLBTYPVXGKGJ-UHFFFAOYSA-N -1 0 348.355 2.529 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000156493420 472714404 /nfs/dbraw/zinc/71/44/04/472714404.db2.gz FVAKNQXUEZCXNU-UHFFFAOYSA-N -1 0 335.784 2.764 20 30 EFEDRM CC#CCNC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000120895493 472765512 /nfs/dbraw/zinc/76/55/12/472765512.db2.gz JFFUZNMIAYHPEZ-UHFFFAOYSA-N -1 0 348.449 2.610 20 30 EFEDRM CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017652 472783475 /nfs/dbraw/zinc/78/34/75/472783475.db2.gz GMYFHEGVEKHACJ-RYUDHWBXSA-N -1 0 337.401 2.714 20 30 EFEDRM CCCCc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n[nH]1 ZINC000064079134 472833357 /nfs/dbraw/zinc/83/33/57/472833357.db2.gz NFTSDIPKIVXOCQ-UHFFFAOYSA-N -1 0 331.401 2.699 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(NC(=O)NC2CC2)c1 ZINC000064267458 472840537 /nfs/dbraw/zinc/84/05/37/472840537.db2.gz WYVUVQLXPRLOKG-AWEZNQCLSA-N -1 0 328.372 2.671 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000064475551 472857332 /nfs/dbraw/zinc/85/73/32/472857332.db2.gz ZRDOELMKIDAVNE-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000064478988 472857567 /nfs/dbraw/zinc/85/75/67/472857567.db2.gz LKMXHCFGTVVOOR-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000064477511 472857921 /nfs/dbraw/zinc/85/79/21/472857921.db2.gz TXONNOGOLSYCTP-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000064479061 472857931 /nfs/dbraw/zinc/85/79/31/472857931.db2.gz CNCCDFKMNUPLEJ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC)cc1 ZINC000048492839 472882854 /nfs/dbraw/zinc/88/28/54/472882854.db2.gz MXSFKFYHSVLEOA-LLVKDONJSA-N -1 0 342.417 2.624 20 30 EFEDRM COc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000048496874 472882954 /nfs/dbraw/zinc/88/29/54/472882954.db2.gz GUEWLKKQZUONEF-DHZHZOJOSA-N -1 0 342.376 2.925 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000048511577 472885171 /nfs/dbraw/zinc/88/51/71/472885171.db2.gz XTGYAKDJQOASNX-LLVKDONJSA-N -1 0 342.417 2.553 20 30 EFEDRM COCc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048531881 472885774 /nfs/dbraw/zinc/88/57/74/472885774.db2.gz RZFKLEIEYQVQED-UHFFFAOYSA-N -1 0 346.364 2.668 20 30 EFEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cn1 ZINC000048813642 472911867 /nfs/dbraw/zinc/91/18/67/472911867.db2.gz IEABOJSNYPYODP-NSHDSACASA-N -1 0 348.391 2.910 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000073975893 472914933 /nfs/dbraw/zinc/91/49/33/472914933.db2.gz XHUQKWBNOWUTIV-SNVBAGLBSA-N -1 0 345.336 2.621 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)o1 ZINC000049394281 472947384 /nfs/dbraw/zinc/94/73/84/472947384.db2.gz QPMYVAGXJXMFIQ-LBPRGKRZSA-N -1 0 334.339 2.589 20 30 EFEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000134682571 472952456 /nfs/dbraw/zinc/95/24/56/472952456.db2.gz LJZAIIISQDCZAL-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#CCN1CCC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000080026361 472962439 /nfs/dbraw/zinc/96/24/39/472962439.db2.gz XABPRYZQRPMGBS-UHFFFAOYSA-N -1 0 343.814 2.917 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000122150342 472980220 /nfs/dbraw/zinc/98/02/20/472980220.db2.gz ZBCIZTZYGPYYGN-SNVBAGLBSA-N -1 0 339.376 2.911 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccn1 ZINC000065650466 472997469 /nfs/dbraw/zinc/99/74/69/472997469.db2.gz RTKMPNPXMTVKFO-AWEZNQCLSA-N -1 0 333.307 2.666 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)cn1 ZINC000135517478 473086774 /nfs/dbraw/zinc/08/67/74/473086774.db2.gz OJFHZIVOTBEBPS-UHFFFAOYSA-N -1 0 349.322 2.568 20 30 EFEDRM N#CC(=C([O-])c1cccc(N2CCNC2=O)c1)c1nc2ccccc2o1 ZINC000066516528 473108223 /nfs/dbraw/zinc/10/82/23/473108223.db2.gz BKLKAVNWJYBVFI-AWEZNQCLSA-N -1 0 346.346 2.847 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000066814355 473157710 /nfs/dbraw/zinc/15/77/10/473157710.db2.gz RGNNSMYDRZYDAU-NSHDSACASA-N -1 0 336.442 2.615 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137182748 473197184 /nfs/dbraw/zinc/19/71/84/473197184.db2.gz UIBKMZJGSJCDCH-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190895070 473422078 /nfs/dbraw/zinc/42/20/78/473422078.db2.gz LUXXYLLWXILUHZ-SHACYNPGSA-N -1 0 335.388 2.857 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000163229797 473425617 /nfs/dbraw/zinc/42/56/17/473425617.db2.gz BETUALGBVGKVHX-UHFFFAOYSA-N -1 0 326.765 2.519 20 30 EFEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190937494 473433882 /nfs/dbraw/zinc/43/38/82/473433882.db2.gz DDYDNLKDSDTGKE-ODCWNRFASA-N -1 0 349.415 2.998 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190968897 473443620 /nfs/dbraw/zinc/44/36/20/473443620.db2.gz ITBZKIGCGPPBRB-CQSZACIVSA-N -1 0 331.331 2.906 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cn(Cc3cccc(F)c3)nn2)n1 ZINC000151527711 473468880 /nfs/dbraw/zinc/46/88/80/473468880.db2.gz VLCAIENIVMYSTH-ZDUSSCGKSA-N -1 0 341.371 2.721 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C ZINC000164021010 473475335 /nfs/dbraw/zinc/47/53/35/473475335.db2.gz RYJVPKNPBGVHHR-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM C#CCN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC000191102048 473478889 /nfs/dbraw/zinc/47/88/89/473478889.db2.gz XHFPESAGBSXTEF-UHFFFAOYSA-N -1 0 344.317 2.628 20 30 EFEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(-c2ccncc2)cs1 ZINC000114621209 473487098 /nfs/dbraw/zinc/48/70/98/473487098.db2.gz UZVNICRATHREOZ-ZDUSSCGKSA-N -1 0 346.375 2.738 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000114673786 473492080 /nfs/dbraw/zinc/49/20/80/473492080.db2.gz HVSAHKVAYYVUQL-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM C=CCN(CC=C)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151834492 473497559 /nfs/dbraw/zinc/49/75/59/473497559.db2.gz KCELFQHEPRJLNX-UHFFFAOYSA-N -1 0 330.432 2.543 20 30 EFEDRM COCc1c(C(=O)C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000186198048 473614000 /nfs/dbraw/zinc/61/40/00/473614000.db2.gz WNGVMCKFELIGRB-HNNXBMFYSA-N -1 0 332.363 2.904 20 30 EFEDRM CC(C)(C)c1[n-]n(CC(=O)NC(C2CC2)C2CC2)c(=O)c1CCC#N ZINC000153462180 473625550 /nfs/dbraw/zinc/62/55/50/473625550.db2.gz XIDCPUPAQFIOCJ-UHFFFAOYSA-N -1 0 344.459 2.647 20 30 EFEDRM CC(C)Cc1noc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000153453818 473625591 /nfs/dbraw/zinc/62/55/91/473625591.db2.gz VVPWVYYJASNOQB-UHFFFAOYSA-N -1 0 331.420 2.972 20 30 EFEDRM N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1Cl ZINC000186349570 473657104 /nfs/dbraw/zinc/65/71/04/473657104.db2.gz JYSYCXCWTSIZDX-CYBMUJFWSA-N -1 0 331.715 2.948 20 30 EFEDRM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179434113 473687439 /nfs/dbraw/zinc/68/74/39/473687439.db2.gz NIPGXYMXOOHYIB-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000186542786 473688073 /nfs/dbraw/zinc/68/80/73/473688073.db2.gz LBFQRAZWTZQNGF-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc2ccccc2o1 ZINC000179701839 473709936 /nfs/dbraw/zinc/70/99/36/473709936.db2.gz LDHKQZDJORNXOJ-ZDUSSCGKSA-N -1 0 329.319 2.899 20 30 EFEDRM C[C@@]1(NC(=O)CSCc2ccc(C#N)cc2)CCCC[C@H]1C(=O)[O-] ZINC000262777701 473722629 /nfs/dbraw/zinc/72/26/29/473722629.db2.gz LXASGTZFVHDUQL-MAUKXSAKSA-N -1 0 346.452 2.941 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192835732 473735182 /nfs/dbraw/zinc/73/51/82/473735182.db2.gz MPHXYYZMSKCLGT-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nnc2n1CCCCC2 ZINC000193261691 473778112 /nfs/dbraw/zinc/77/81/12/473778112.db2.gz MPANMFPQBBWAOR-CQSZACIVSA-N -1 0 346.394 2.885 20 30 EFEDRM N#C[C@@]1(NC(=O)c2cc(F)c([O-])c(F)c2)CCc2ccccc2C1 ZINC000186911757 473780314 /nfs/dbraw/zinc/78/03/14/473780314.db2.gz ZANMZFWSOFMRLJ-GOSISDBHSA-N -1 0 328.318 2.851 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193354968 473781758 /nfs/dbraw/zinc/78/17/58/473781758.db2.gz GZVSVQHTIPPWEF-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C ZINC000193360354 473783258 /nfs/dbraw/zinc/78/32/58/473783258.db2.gz DVJVJYROEXAKPH-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000186955637 473788852 /nfs/dbraw/zinc/78/88/52/473788852.db2.gz FDSKZSKJHXVDBN-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186996023 473798840 /nfs/dbraw/zinc/79/88/40/473798840.db2.gz LMBRPYADACIPAN-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000180353936 473857943 /nfs/dbraw/zinc/85/79/43/473857943.db2.gz UJRHKCAFSVCSFT-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187552712 473884168 /nfs/dbraw/zinc/88/41/68/473884168.db2.gz FMUMMESUKUCGEQ-UHFFFAOYSA-N -1 0 340.339 2.619 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000187758261 473915941 /nfs/dbraw/zinc/91/59/41/473915941.db2.gz SJSCXQCJIBVXJM-UHFFFAOYSA-N -1 0 338.458 2.934 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000187767046 473916348 /nfs/dbraw/zinc/91/63/48/473916348.db2.gz OJHCCIWPVAUVBI-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)o3)c2C1 ZINC000288396584 473931554 /nfs/dbraw/zinc/93/15/54/473931554.db2.gz FVAWXTSGASUQIJ-UHFFFAOYSA-N -1 0 331.397 2.678 20 30 EFEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000274735684 473938206 /nfs/dbraw/zinc/93/82/06/473938206.db2.gz KAMOOJLVOZRRKD-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)s1 ZINC000269989880 473945719 /nfs/dbraw/zinc/94/57/19/473945719.db2.gz ULKDCWGTFMOQFC-UHFFFAOYSA-N -1 0 337.426 2.935 20 30 EFEDRM CCOCC(C)(C)CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000288461700 473949322 /nfs/dbraw/zinc/94/93/22/473949322.db2.gz SPJMYCYNJRBNCT-UHFFFAOYSA-N -1 0 330.837 2.553 20 30 EFEDRM COc1ccc([C@H]([N-]S(=O)(=O)CCCC#N)C(F)(F)F)cc1 ZINC000180749435 473956661 /nfs/dbraw/zinc/95/66/61/473956661.db2.gz NBROGFLQIQCFNU-LBPRGKRZSA-N -1 0 336.335 2.522 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000194858633 473964432 /nfs/dbraw/zinc/96/44/32/473964432.db2.gz VOVKLACEMAMPPA-UHFFFAOYSA-N -1 0 340.792 2.594 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCCC1 ZINC000180843543 473976000 /nfs/dbraw/zinc/97/60/00/473976000.db2.gz RXUFXMNYXYEBIF-OAHLLOKOSA-N -1 0 342.374 2.919 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000188145439 473999779 /nfs/dbraw/zinc/99/97/79/473999779.db2.gz APUQJQYZKPEPKR-UHFFFAOYSA-N -1 0 343.355 2.514 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1C#N ZINC000181148296 474008629 /nfs/dbraw/zinc/00/86/29/474008629.db2.gz IYNGNVGVVHBZSK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181149306 474009583 /nfs/dbraw/zinc/00/95/83/474009583.db2.gz DVUWETVSCXVQEW-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000264502109 474015007 /nfs/dbraw/zinc/01/50/07/474015007.db2.gz MJSAIFBPECZXSJ-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2nc1C1CC1 ZINC000288679463 474020167 /nfs/dbraw/zinc/02/01/67/474020167.db2.gz WSQVCMIFFHSYKK-UHFFFAOYSA-N -1 0 342.380 2.716 20 30 EFEDRM N#C[C@@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cccc(F)c1 ZINC000181291061 474020913 /nfs/dbraw/zinc/02/09/13/474020913.db2.gz NGRSTKDBDTZVJU-QMMMGPOBSA-N -1 0 342.252 2.525 20 30 EFEDRM N#C[C@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1F ZINC000181292083 474024329 /nfs/dbraw/zinc/02/43/29/474024329.db2.gz QZMWTWZKNMHEPC-MRVPVSSYSA-N -1 0 342.252 2.525 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000282328598 474024455 /nfs/dbraw/zinc/02/44/55/474024455.db2.gz YXQSYUVARPCADK-UHFFFAOYSA-N -1 0 348.428 2.709 20 30 EFEDRM N#CCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000275063331 474056341 /nfs/dbraw/zinc/05/63/41/474056341.db2.gz VCQXVYRVVLIULN-MRXNPFEDSA-N -1 0 346.408 2.579 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000275187723 474099126 /nfs/dbraw/zinc/09/91/26/474099126.db2.gz YYSRLNQTFCSHKI-NSHDSACASA-N -1 0 331.821 2.521 20 30 EFEDRM C=C[C@](C)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 ZINC000288950543 474100701 /nfs/dbraw/zinc/10/07/01/474100701.db2.gz PCGNCHJMLPYAGP-MSOLQXFVSA-N -1 0 340.383 2.645 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000225392513 474209685 /nfs/dbraw/zinc/20/96/85/474209685.db2.gz YIOCAEVPDNIFQF-UHFFFAOYSA-N -1 0 349.799 2.732 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000182988224 474301986 /nfs/dbraw/zinc/30/19/86/474301986.db2.gz PEOBARQIJJIUQM-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM Cc1cc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc(C(=O)[O-])c1C ZINC000237050387 474328477 /nfs/dbraw/zinc/32/84/77/474328477.db2.gz XPPWPBTYQYENHZ-UHFFFAOYSA-N -1 0 344.392 2.698 20 30 EFEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)s1 ZINC000183124785 474333120 /nfs/dbraw/zinc/33/31/20/474333120.db2.gz NFRGENRCFJPNCF-SECBINFHSA-N -1 0 337.426 2.852 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1 ZINC000271032191 474377249 /nfs/dbraw/zinc/37/72/49/474377249.db2.gz INUVKVLDRRFTNO-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000183397582 474377527 /nfs/dbraw/zinc/37/75/27/474377527.db2.gz VHKPPZCGRZBUAV-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccccc1CS(=O)(=O)c1n[nH]c(CCC2CCCC2)n1 ZINC000283427416 474401021 /nfs/dbraw/zinc/40/10/21/474401021.db2.gz PTJARMOKPZNHLP-UHFFFAOYSA-N -1 0 344.440 2.773 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000276173124 474441302 /nfs/dbraw/zinc/44/13/02/474441302.db2.gz RLZACOPLFNJZEY-RTXFEEFZSA-N -1 0 334.397 2.509 20 30 EFEDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000189661135 474458721 /nfs/dbraw/zinc/45/87/21/474458721.db2.gz KXVNBIRXPUOJDS-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237935436 474507113 /nfs/dbraw/zinc/50/71/13/474507113.db2.gz LIINLZKWHAKKHC-DHINHOHASA-N -1 0 342.395 2.848 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[O-] ZINC000189924467 474507505 /nfs/dbraw/zinc/50/75/05/474507505.db2.gz QTZMWRIUSYFOCZ-SFHVURJKSA-N -1 0 335.407 2.831 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000238032499 474525483 /nfs/dbraw/zinc/52/54/83/474525483.db2.gz IXTZYXUWQMSIIO-UHFFFAOYSA-N -1 0 337.253 2.778 20 30 EFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290542292 474576738 /nfs/dbraw/zinc/57/67/38/474576738.db2.gz PJOCSRMUGBBMBQ-UHFFFAOYSA-N -1 0 340.445 2.761 20 30 EFEDRM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000184659483 474576898 /nfs/dbraw/zinc/57/68/98/474576898.db2.gz UXZSTNSEDJCCKT-LBPRGKRZSA-N -1 0 344.392 2.622 20 30 EFEDRM COc1ccc(CNCc2cc(C(=O)[O-])co2)cc1OCCCC#N ZINC000277100612 474578074 /nfs/dbraw/zinc/57/80/74/474578074.db2.gz ZATRDAJHLLTPEY-UHFFFAOYSA-N -1 0 344.367 2.959 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290702187 474583173 /nfs/dbraw/zinc/58/31/73/474583173.db2.gz NNBXVXOBTQAIRT-JTQLQIEISA-N -1 0 329.297 2.592 20 30 EFEDRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290906425 474586752 /nfs/dbraw/zinc/58/67/52/474586752.db2.gz GCDMDGCCDIPAIR-UHFFFAOYSA-N -1 0 330.413 2.599 20 30 EFEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C)n(CCC#N)n1 ZINC000277472966 474587933 /nfs/dbraw/zinc/58/79/33/474587933.db2.gz JWUPTXMLNNCNPV-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)CC(=O)[O-])cc1OC ZINC000271936955 474597718 /nfs/dbraw/zinc/59/77/18/474597718.db2.gz CTDZQLPIADUHFH-STMXVASLSA-N -1 0 333.384 2.500 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000272181480 474605059 /nfs/dbraw/zinc/60/50/59/474605059.db2.gz SSDWRZAGGLIUMF-ZDUSSCGKSA-N -1 0 334.363 2.773 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1C ZINC000272445134 474612383 /nfs/dbraw/zinc/61/23/83/474612383.db2.gz LRXJWNXGMXUDNU-NSHDSACASA-N -1 0 348.428 2.612 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)o1 ZINC000340789080 474668209 /nfs/dbraw/zinc/66/82/09/474668209.db2.gz RUUVFXWYMQIZCK-UHFFFAOYSA-N -1 0 332.259 2.851 20 30 EFEDRM C=CCNC(=S)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000252631720 474700880 /nfs/dbraw/zinc/70/08/80/474700880.db2.gz VMCZYFBQGKCMSM-UHFFFAOYSA-N -1 0 329.381 2.629 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000340846803 474711784 /nfs/dbraw/zinc/71/17/84/474711784.db2.gz MXDAPOUVMJKXCJ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COCC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000291842915 474715073 /nfs/dbraw/zinc/71/50/73/474715073.db2.gz GZPMIGPKJAYIKF-CAOOACKPSA-N -1 0 342.779 2.816 20 30 EFEDRM CCn1nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337132566 474725748 /nfs/dbraw/zinc/72/57/48/474725748.db2.gz KIZVSECAJYCVHS-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(-c2ccc(OC)cc2)s1 ZINC000291885897 474734192 /nfs/dbraw/zinc/73/41/92/474734192.db2.gz NVQNYEAIFDZSGC-UHFFFAOYSA-N -1 0 339.442 2.922 20 30 EFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000337176206 474760439 /nfs/dbraw/zinc/76/04/39/474760439.db2.gz JDNMUPRKEJNDON-UHFFFAOYSA-N -1 0 347.352 2.666 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\Sc2ccccc2)cc1 ZINC000255042094 474792166 /nfs/dbraw/zinc/79/21/66/474792166.db2.gz DPOVREHGPHRKLX-KHPPLWFESA-N -1 0 344.417 2.669 20 30 EFEDRM C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000291996711 474793660 /nfs/dbraw/zinc/79/36/60/474793660.db2.gz XBHNZUQMOFMAKV-UHFFFAOYSA-N -1 0 336.413 2.599 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255104115 474803287 /nfs/dbraw/zinc/80/32/87/474803287.db2.gz JCWJTFDJLBONJN-BAQGIRSFSA-N -1 0 339.307 2.855 20 30 EFEDRM Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000340948018 474807984 /nfs/dbraw/zinc/80/79/84/474807984.db2.gz HIALOEDLHSWZDD-UHFFFAOYSA-N -1 0 342.380 2.505 20 30 EFEDRM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268144891 474824753 /nfs/dbraw/zinc/82/47/53/474824753.db2.gz FYMUYZVTPZVWSO-SNVBAGLBSA-N -1 0 340.351 2.729 20 30 EFEDRM CC[C@H](c1n[n-]c(=NC(=O)N2CC(C)(C#N)C2)s1)c1ccccc1 ZINC000345047545 474844391 /nfs/dbraw/zinc/84/43/91/474844391.db2.gz YFBKAVAGDPKUBX-ZDUSSCGKSA-N -1 0 341.440 2.879 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)C(=O)[O-] ZINC000315949720 474876292 /nfs/dbraw/zinc/87/62/92/474876292.db2.gz UYUBJFVQJZRPSY-CQSZACIVSA-N -1 0 325.430 2.618 20 30 EFEDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000318577926 474891805 /nfs/dbraw/zinc/89/18/05/474891805.db2.gz GIQXZXNBAAZUOS-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)s1 ZINC000339071917 474899947 /nfs/dbraw/zinc/89/99/47/474899947.db2.gz DJQQYMOZKAACNJ-UHFFFAOYSA-N -1 0 345.352 2.725 20 30 EFEDRM CCC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CCOCC1 ZINC000320001920 474906017 /nfs/dbraw/zinc/90/60/17/474906017.db2.gz SORJWMQUDALQJC-UHFFFAOYSA-N -1 0 342.848 2.697 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000324208501 474962876 /nfs/dbraw/zinc/96/28/76/474962876.db2.gz CNJIUROZPMIZLT-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000293416466 474969201 /nfs/dbraw/zinc/96/92/01/474969201.db2.gz UKVIAEZWPWAXFB-LBPRGKRZSA-N -1 0 335.429 2.725 20 30 EFEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000345183145 474969572 /nfs/dbraw/zinc/96/95/72/474969572.db2.gz AKHDCZFIQFXXCT-UHFFFAOYSA-N -1 0 336.442 2.799 20 30 EFEDRM CC(C)(C)[C@H](C#N)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000279534189 474980616 /nfs/dbraw/zinc/98/06/16/474980616.db2.gz SNACHWPUIKSCRG-ZDUSSCGKSA-N -1 0 332.791 2.899 20 30 EFEDRM C#CCn1ccc(CN(CC)Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000279755314 474989083 /nfs/dbraw/zinc/98/90/83/474989083.db2.gz QUMOKQNADHHCKF-UHFFFAOYSA-N -1 0 329.375 2.586 20 30 EFEDRM CCC1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)(C(=O)[O-])CC1 ZINC000326746165 475010013 /nfs/dbraw/zinc/01/00/13/475010013.db2.gz KOLDZCLWKIXNPE-VFPJAPOESA-N -1 0 344.411 2.865 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000280691787 475043719 /nfs/dbraw/zinc/04/37/19/475043719.db2.gz FWOHHYAJBFEIFT-HZMBPMFUSA-N -1 0 333.812 2.739 20 30 EFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000341439530 475052511 /nfs/dbraw/zinc/05/25/11/475052511.db2.gz NVWFXSYJOXGIPU-UHFFFAOYSA-N -1 0 345.424 2.749 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000273791251 475056690 /nfs/dbraw/zinc/05/66/90/475056690.db2.gz RNHSCQMQSDXRES-UHFFFAOYSA-N -1 0 329.805 2.686 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1C#N ZINC000329646494 475105426 /nfs/dbraw/zinc/10/54/26/475105426.db2.gz IWSPWRMNGDYHHF-CYBMUJFWSA-N -1 0 329.425 2.785 20 30 EFEDRM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329675650 475110979 /nfs/dbraw/zinc/11/09/79/475110979.db2.gz VUYKIAJZLOYMJM-RQJABVFESA-N -1 0 335.452 2.613 20 30 EFEDRM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329675649 475111559 /nfs/dbraw/zinc/11/15/59/475111559.db2.gz VUYKIAJZLOYMJM-RFGFWPKPSA-N -1 0 335.452 2.613 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000261990652 475139116 /nfs/dbraw/zinc/13/91/16/475139116.db2.gz CUCXUTQYUQEMKO-HOTGVXAUSA-N -1 0 342.395 2.550 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(-c4ccccc4)nn3)nc21 ZINC000345384308 475146367 /nfs/dbraw/zinc/14/63/67/475146367.db2.gz UXJDZXMSQNQFLQ-CQSZACIVSA-N -1 0 342.362 2.942 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cs1 ZINC000345387394 475148326 /nfs/dbraw/zinc/14/83/26/475148326.db2.gz YLRWOYSIHCZQHA-SNVBAGLBSA-N -1 0 326.381 2.964 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)nn(CC)c2C)n1 ZINC000339359909 475162052 /nfs/dbraw/zinc/16/20/52/475162052.db2.gz MQPXUORZANZOSP-NSHDSACASA-N -1 0 346.412 2.643 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N[C@H]2CCOC3(CCCC3)C2)s1 ZINC000330203945 475211222 /nfs/dbraw/zinc/21/12/22/475211222.db2.gz BELPWUPMIFMRSA-JTQLQIEISA-N -1 0 342.490 2.890 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000262284803 475213988 /nfs/dbraw/zinc/21/39/88/475213988.db2.gz ZGGKGUSVIAAALJ-CQSZACIVSA-N -1 0 333.384 2.512 20 30 EFEDRM CN1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1=O ZINC000330244050 475217539 /nfs/dbraw/zinc/21/75/39/475217539.db2.gz XCVOMDNLZDBHKI-SECBINFHSA-N -1 0 338.820 2.717 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1OC ZINC000337700948 475253133 /nfs/dbraw/zinc/25/31/33/475253133.db2.gz BVGYZCJIIIIZEY-UHFFFAOYSA-N -1 0 341.363 2.991 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000330628512 475261528 /nfs/dbraw/zinc/26/15/28/475261528.db2.gz ZDCQEWBPFMXPQB-CHWSQXEVSA-N -1 0 340.445 2.710 20 30 EFEDRM C=CCOc1ccccc1C(=O)N=c1nc(C(C)(C)OC)[n-]s1 ZINC000634152249 480156487 /nfs/dbraw/zinc/15/64/87/480156487.db2.gz ARJKMYOPDFGVGX-UHFFFAOYSA-N -1 0 333.413 2.659 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s[n-]1 ZINC000330872452 475283840 /nfs/dbraw/zinc/28/38/40/475283840.db2.gz YGDKCJQRYCTFJF-MRVPVSSYSA-N -1 0 338.437 2.680 20 30 EFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000337741100 475287043 /nfs/dbraw/zinc/28/70/43/475287043.db2.gz BCRHOXGTGFJCMM-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000347391750 475291384 /nfs/dbraw/zinc/29/13/84/475291384.db2.gz SXBNAAQJPUHGBV-UHFFFAOYSA-N -1 0 329.312 2.538 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC2(CCO)CCCCC2)cc1C#N ZINC000330948641 475293458 /nfs/dbraw/zinc/29/34/58/475293458.db2.gz GVJROWAPXMXPAZ-UHFFFAOYSA-N -1 0 335.429 2.771 20 30 EFEDRM CC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C1CCOCC1 ZINC000330990361 475299631 /nfs/dbraw/zinc/29/96/31/475299631.db2.gz HEMSXSKZUKIXGL-NSHDSACASA-N -1 0 326.466 2.789 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c(C)o1 ZINC000337778282 475315805 /nfs/dbraw/zinc/31/58/05/475315805.db2.gz RIRGDNWMMJFWPV-UHFFFAOYSA-N -1 0 334.401 2.881 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NCC2(CCO)CCCCC2)s[n-]1 ZINC000331314829 475337224 /nfs/dbraw/zinc/33/72/24/475337224.db2.gz XHAIYFFDKZEOMV-UHFFFAOYSA-N -1 0 340.493 2.916 20 30 EFEDRM N#CCCCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000347750638 475338677 /nfs/dbraw/zinc/33/86/77/475338677.db2.gz IBAHAMQSFIIXCZ-UHFFFAOYSA-N -1 0 327.369 2.798 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000345673264 475355136 /nfs/dbraw/zinc/35/51/36/475355136.db2.gz FSRLFZQCPYKSJW-UHFFFAOYSA-N -1 0 348.428 2.679 20 30 EFEDRM CCc1oncc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000337851625 475377251 /nfs/dbraw/zinc/37/72/51/475377251.db2.gz JKEVBSBAZBOITH-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccn(C3CCCCC3)n2)[n-]1 ZINC000348263860 475541101 /nfs/dbraw/zinc/54/11/01/475541101.db2.gz BACBUDVRROVUFJ-UHFFFAOYSA-N -1 0 326.404 2.712 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000352729945 475571415 /nfs/dbraw/zinc/57/14/15/475571415.db2.gz PERNWXLNOZLKLM-UHFFFAOYSA-N -1 0 336.363 2.770 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000342348689 475586466 /nfs/dbraw/zinc/58/64/66/475586466.db2.gz SHBFRCQBDIKDIE-JTQLQIEISA-N -1 0 326.381 2.964 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000342370954 475589553 /nfs/dbraw/zinc/58/95/53/475589553.db2.gz FIIHCLVXBOIEFG-QGZVFWFLSA-N -1 0 341.363 2.816 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccc(F)cc3)cc1[O-])CC2 ZINC000339930824 475619688 /nfs/dbraw/zinc/61/96/88/475619688.db2.gz IGRFGYMORKSRIW-UHFFFAOYSA-N -1 0 348.337 2.792 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)nn1CCC#N ZINC000342781713 475640436 /nfs/dbraw/zinc/64/04/36/475640436.db2.gz MZGXYLBQAZCQOM-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000343010248 475696701 /nfs/dbraw/zinc/69/67/01/475696701.db2.gz KIZNDRFYOHEUBR-UHFFFAOYSA-N -1 0 347.392 2.823 20 30 EFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000332645336 475698803 /nfs/dbraw/zinc/69/88/03/475698803.db2.gz IPISVPGGVCXEGH-KZULUSFZSA-N -1 0 342.374 2.919 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C ZINC000361772717 475739636 /nfs/dbraw/zinc/73/96/36/475739636.db2.gz OVBJVGCFXFCRAS-UHFFFAOYSA-N -1 0 348.428 2.529 20 30 EFEDRM COCc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC000340096360 475756063 /nfs/dbraw/zinc/75/60/63/475756063.db2.gz WUUDUEGQARGIHI-UHFFFAOYSA-N -1 0 332.381 2.514 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)CC(C)(C)C#N)n2)c1 ZINC000353268973 475819812 /nfs/dbraw/zinc/81/98/12/475819812.db2.gz YYGAKDBELAYCGE-UHFFFAOYSA-N -1 0 330.363 2.647 20 30 EFEDRM N#Cc1ccc(SCC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000361879362 475833573 /nfs/dbraw/zinc/83/35/73/475833573.db2.gz GYDVSCMXOUTTHV-UHFFFAOYSA-N -1 0 338.314 2.520 20 30 EFEDRM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000338424228 475892130 /nfs/dbraw/zinc/89/21/30/475892130.db2.gz MVQXLFCWNAGENK-CLLJXQQHSA-N -1 0 340.420 2.569 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000358813996 475960646 /nfs/dbraw/zinc/96/06/46/475960646.db2.gz OGTLHFPCYJKNPM-UHFFFAOYSA-N -1 0 346.746 2.982 20 30 EFEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000347001782 476021843 /nfs/dbraw/zinc/02/18/43/476021843.db2.gz HXEPIRXEKVTMTM-UHFFFAOYSA-N -1 0 347.783 2.884 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cn1 ZINC000350032006 476034886 /nfs/dbraw/zinc/03/48/86/476034886.db2.gz AAPYXTLOURBRFB-UHFFFAOYSA-N -1 0 331.397 2.873 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)nn1C ZINC000362185189 476057048 /nfs/dbraw/zinc/05/70/48/476057048.db2.gz JAHMGSWHJPDVRK-SNVBAGLBSA-N -1 0 338.289 2.641 20 30 EFEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355840339 476064720 /nfs/dbraw/zinc/06/47/20/476064720.db2.gz HGZXXLULRUYRHP-UHFFFAOYSA-N -1 0 330.413 2.641 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000357026595 476168420 /nfs/dbraw/zinc/16/84/20/476168420.db2.gz KXQPKRGLIMNBIY-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C#N ZINC000357155543 476268087 /nfs/dbraw/zinc/26/80/87/476268087.db2.gz GJEJBWHKVUFBFW-UHFFFAOYSA-N -1 0 328.681 2.936 20 30 EFEDRM COCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000353790112 476273953 /nfs/dbraw/zinc/27/39/53/476273953.db2.gz BGWWLPHFQJPCIB-UHFFFAOYSA-N -1 0 334.372 2.687 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350640192 476277233 /nfs/dbraw/zinc/27/72/33/476277233.db2.gz SMOPRBIZNLADGS-JTQLQIEISA-N -1 0 338.458 2.949 20 30 EFEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357178998 476278734 /nfs/dbraw/zinc/27/87/34/476278734.db2.gz XCRDMQUWNRRQBG-UHFFFAOYSA-N -1 0 335.360 2.682 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c[nH]c3ccc(Br)cc23)c1C#N ZINC000357182662 476280388 /nfs/dbraw/zinc/28/03/88/476280388.db2.gz WVRUBFPTIAUJSG-UHFFFAOYSA-N -1 0 344.172 2.508 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c(C)onc2-c2cccc(Cl)c2)c1C#N ZINC000357239002 476301055 /nfs/dbraw/zinc/30/10/55/476301055.db2.gz GXLYFEALCXSEDO-UHFFFAOYSA-N -1 0 341.758 2.881 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000350801841 476301748 /nfs/dbraw/zinc/30/17/48/476301748.db2.gz LFVPKKBIHDKVTP-UHFFFAOYSA-N -1 0 330.413 2.884 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(COc3ccc(C)nc3)c2)c1C#N ZINC000357252759 476305558 /nfs/dbraw/zinc/30/55/58/476305558.db2.gz GMCZVOGJSNOFME-UHFFFAOYSA-N -1 0 347.378 2.546 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000362587891 476319755 /nfs/dbraw/zinc/31/97/55/476319755.db2.gz NTGFOJZGYZESTB-LLVKDONJSA-N -1 0 336.438 2.853 20 30 EFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000357339282 476337733 /nfs/dbraw/zinc/33/77/33/476337733.db2.gz KSSMEDVUOXMSAC-UHFFFAOYSA-N -1 0 330.337 2.707 20 30 EFEDRM Cc1cccc2sc([N-]S(=O)(=O)c3cncc(C#N)c3)nc21 ZINC000357391982 476354914 /nfs/dbraw/zinc/35/49/14/476354914.db2.gz QZIYUBHLYBSJAQ-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1C#N ZINC000360774372 476379456 /nfs/dbraw/zinc/37/94/56/476379456.db2.gz YPNRNMAWTRLRAG-UHFFFAOYSA-N -1 0 330.365 2.705 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(Cl)cc3c2OCC3)[n-]1 ZINC000360803165 476398278 /nfs/dbraw/zinc/39/82/78/476398278.db2.gz PVHKKFDOBCDQEE-UHFFFAOYSA-N -1 0 330.775 2.598 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357463254 476399400 /nfs/dbraw/zinc/39/94/00/476399400.db2.gz DMENOTFOSHMRAY-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c(C)o1 ZINC000357467658 476401347 /nfs/dbraw/zinc/40/13/47/476401347.db2.gz ZQHHGOZJKJFCFP-UHFFFAOYSA-N -1 0 333.413 2.943 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000357478695 476407331 /nfs/dbraw/zinc/40/73/31/476407331.db2.gz SFBDXGOAXQWREC-UHFFFAOYSA-N -1 0 335.454 2.670 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)s1 ZINC000362892891 476466991 /nfs/dbraw/zinc/46/69/91/476466991.db2.gz LKCKLRNFQQUXIQ-UHFFFAOYSA-N -1 0 330.394 2.602 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[nH]1 ZINC000352217097 476558869 /nfs/dbraw/zinc/55/88/69/476558869.db2.gz NBBRDFLJINXJLN-UHFFFAOYSA-N -1 0 347.762 2.872 20 30 EFEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)o1 ZINC000361127910 476620977 /nfs/dbraw/zinc/62/09/77/476620977.db2.gz BPOAZXPNVSFXKX-UHFFFAOYSA-N -1 0 329.337 2.916 20 30 EFEDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000361129769 476623206 /nfs/dbraw/zinc/62/32/06/476623206.db2.gz FDUQQJUHNIWYPI-UHFFFAOYSA-N -1 0 333.369 2.609 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)o1 ZINC000361132143 476624445 /nfs/dbraw/zinc/62/44/45/476624445.db2.gz NVVAUBVDMFHTDA-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(OC)cc1 ZINC000352369659 476667464 /nfs/dbraw/zinc/66/74/64/476667464.db2.gz ZUWZRLGMTWBUHJ-HNNXBMFYSA-N -1 0 347.378 2.723 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2ccncn2)ccc1NC(C)=O ZINC000354458290 476673508 /nfs/dbraw/zinc/67/35/08/476673508.db2.gz CVALJZMJQZZHRG-GFCCVEGCSA-N -1 0 326.381 2.647 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC(C)(C)C#N)n1 ZINC000452151241 476856964 /nfs/dbraw/zinc/85/69/64/476856964.db2.gz ZQHMIOPMTIYZKT-UHFFFAOYSA-N -1 0 326.400 2.762 20 30 EFEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000431195926 476994006 /nfs/dbraw/zinc/99/40/06/476994006.db2.gz ZXFPQCZKKIQHGB-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)c2cc(Br)co2)[n-]1 ZINC000410542181 477016936 /nfs/dbraw/zinc/01/69/36/477016936.db2.gz UNAPKWBMUVUNLX-UHFFFAOYSA-N -1 0 337.177 2.539 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)Oc3ccc(C#N)cc3)[nH][n-]2)o1 ZINC000447800127 477058442 /nfs/dbraw/zinc/05/84/42/477058442.db2.gz PWYHGLWZSUQVOU-LBPRGKRZSA-N -1 0 336.351 2.678 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC000431688012 477075598 /nfs/dbraw/zinc/07/55/98/477075598.db2.gz SEKFGUIHRMKFGK-VIFPVBQESA-N -1 0 336.317 2.848 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c1C#N ZINC000431712041 477079324 /nfs/dbraw/zinc/07/93/24/477079324.db2.gz QFVSYGBSJIABOA-RYUDHWBXSA-N -1 0 345.200 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000431713826 477080919 /nfs/dbraw/zinc/08/09/19/477080919.db2.gz XBWATRBMKCJUPN-QWRGUYRKSA-N -1 0 334.301 2.773 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448156827 477139500 /nfs/dbraw/zinc/13/95/00/477139500.db2.gz PLCSEWAWZCYJII-UHFFFAOYSA-N -1 0 333.395 2.868 20 30 EFEDRM CC/C=C/CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416492375 477185592 /nfs/dbraw/zinc/18/55/92/477185592.db2.gz CYFUVGFWLSAEQJ-ONEGZZNKSA-N -1 0 329.219 2.565 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000416530332 477204641 /nfs/dbraw/zinc/20/46/41/477204641.db2.gz LVNCMMJOXWXXPG-UHFFFAOYSA-N -1 0 336.335 2.629 20 30 EFEDRM N#Cc1c[nH]c(C(=O)N=c2[n-]nc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432571308 477234250 /nfs/dbraw/zinc/23/42/50/477234250.db2.gz GVDRJMMTECUAAN-AWEZNQCLSA-N -1 0 349.419 2.880 20 30 EFEDRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc12 ZINC000435713408 477356914 /nfs/dbraw/zinc/35/69/14/477356914.db2.gz DCDMDYLWTYAEDJ-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435716602 477356994 /nfs/dbraw/zinc/35/69/94/477356994.db2.gz WISANXPSSQNDLV-UHFFFAOYSA-N -1 0 326.328 2.637 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435720429 477357530 /nfs/dbraw/zinc/35/75/30/477357530.db2.gz BEOLASDKECTXCI-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000435746012 477363687 /nfs/dbraw/zinc/36/36/87/477363687.db2.gz SJVNCFGYODVDJP-KGLIPLIRSA-N -1 0 344.440 2.730 20 30 EFEDRM C#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000376515134 477377583 /nfs/dbraw/zinc/37/75/83/477377583.db2.gz NSTOAVMXSLXMMR-ZFWWWQNUSA-N -1 0 340.345 2.512 20 30 EFEDRM CCCNC(=O)c1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1Cl ZINC000416937916 477378759 /nfs/dbraw/zinc/37/87/59/477378759.db2.gz KAHAPONSNYZJEN-NSHDSACASA-N -1 0 343.836 2.524 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(OC)cc2)nc1 ZINC000416951414 477384551 /nfs/dbraw/zinc/38/45/51/477384551.db2.gz IKMMPJFJEZVODO-HNNXBMFYSA-N -1 0 347.396 2.926 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000416957276 477386635 /nfs/dbraw/zinc/38/66/35/477386635.db2.gz NOQWAAZMWIXOBQ-SSDOTTSWSA-N -1 0 337.184 2.735 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000416963554 477390032 /nfs/dbraw/zinc/39/00/32/477390032.db2.gz VGKNJTYUQBGDHG-NSHDSACASA-N -1 0 342.392 2.825 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000416963552 477390878 /nfs/dbraw/zinc/39/08/78/477390878.db2.gz VGKNJTYUQBGDHG-LLVKDONJSA-N -1 0 342.392 2.825 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000416967586 477392937 /nfs/dbraw/zinc/39/29/37/477392937.db2.gz ZSMQSDGQVRFNOU-ZDUSSCGKSA-N -1 0 332.385 2.658 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)NCC(C)(C)CC#N)n1 ZINC000412414530 477425808 /nfs/dbraw/zinc/42/58/08/477425808.db2.gz GHQJSPOVTVZBQN-UHFFFAOYSA-N -1 0 326.400 2.810 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000449146875 477458386 /nfs/dbraw/zinc/45/83/86/477458386.db2.gz OTHOMQOOFGIQIE-DOMZBBRYSA-N -1 0 332.400 2.721 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000455053811 477482594 /nfs/dbraw/zinc/48/25/94/477482594.db2.gz OWJWGUZJGYDIFD-VOTSOKGWSA-N -1 0 331.401 2.737 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000436606099 477531746 /nfs/dbraw/zinc/53/17/46/477531746.db2.gz LXGLXPCFRFEIRX-UHFFFAOYSA-N -1 0 330.365 2.657 20 30 EFEDRM CN(C(=O)c1cc(F)cc(Br)c1[O-])C1(C#N)CCC1 ZINC000436891495 477627633 /nfs/dbraw/zinc/62/76/33/477627633.db2.gz IYIBYTRSMIGZRK-UHFFFAOYSA-N -1 0 327.153 2.812 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436941075 477643234 /nfs/dbraw/zinc/64/32/34/477643234.db2.gz ZYIPQGHPLHWUBF-UHFFFAOYSA-N -1 0 346.333 2.831 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C(N)=O)o1 ZINC000437229522 477686337 /nfs/dbraw/zinc/68/63/37/477686337.db2.gz UZYXRSNHUSSHOR-JTQLQIEISA-N -1 0 329.381 2.883 20 30 EFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccco3)n2)c(Cl)c1 ZINC000437667054 477737569 /nfs/dbraw/zinc/73/75/69/477737569.db2.gz HJXBOYMDEJWXMZ-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000437922255 477775223 /nfs/dbraw/zinc/77/52/23/477775223.db2.gz SLTSORXTPVZCDD-UHFFFAOYSA-N -1 0 338.367 2.918 20 30 EFEDRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450963236 477777324 /nfs/dbraw/zinc/77/73/24/477777324.db2.gz DEMSJGPDWFLTHC-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(Cl)c1 ZINC000451008434 477789658 /nfs/dbraw/zinc/78/96/58/477789658.db2.gz GGNUTWIKWDCKJI-UHFFFAOYSA-N -1 0 348.815 2.874 20 30 EFEDRM C[C@H](NC(=O)c1ccc(CC#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455958865 477790222 /nfs/dbraw/zinc/79/02/22/477790222.db2.gz WHYCIYUHDIYXFT-KBXCAEBGSA-N -1 0 336.391 2.814 20 30 EFEDRM C=CCCCS(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451062496 477806840 /nfs/dbraw/zinc/80/68/40/477806840.db2.gz DDCAHTXBJQLNQM-VIFPVBQESA-N -1 0 328.381 2.941 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000438224549 477810967 /nfs/dbraw/zinc/81/09/67/477810967.db2.gz PUHIFBJLULONGZ-UHFFFAOYSA-N -1 0 348.428 2.610 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C(C)C)c(C(=O)OC)s1 ZINC000451092467 477818907 /nfs/dbraw/zinc/81/89/07/477818907.db2.gz ACBWMMTYJSQPGZ-UHFFFAOYSA-N -1 0 332.447 2.761 20 30 EFEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)cc1 ZINC000451097960 477822893 /nfs/dbraw/zinc/82/28/93/477822893.db2.gz QRTXYVCKKSGHBC-GFCCVEGCSA-N -1 0 329.425 2.998 20 30 EFEDRM C=C(C)Cn1c(Cc2ccccc2Cl)n[n-]c1=Nc1cnn(C)c1 ZINC000460777240 477866178 /nfs/dbraw/zinc/86/61/78/477866178.db2.gz GHTRQPRVCYMCDE-UHFFFAOYSA-N -1 0 342.834 2.997 20 30 EFEDRM CC#CCCNC(=O)N=c1nc(Sc2ccc(OC)cc2)[n-]s1 ZINC000558450452 477871962 /nfs/dbraw/zinc/87/19/62/477871962.db2.gz QTARNMVFUBUFHB-UHFFFAOYSA-N -1 0 348.453 2.655 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCOC4)nc1-2 ZINC000530947062 477894053 /nfs/dbraw/zinc/89/40/53/477894053.db2.gz WVHYDIMYVZWROI-LLVKDONJSA-N -1 0 338.392 2.891 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000531652726 477907625 /nfs/dbraw/zinc/90/76/25/477907625.db2.gz FASFNGSTJDJLEO-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C[C@H]1CC(=NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])NO1 ZINC000494044644 477909388 /nfs/dbraw/zinc/90/93/88/477909388.db2.gz RXOSGKJBFONJEA-VIFPVBQESA-N -1 0 335.360 2.591 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000516236952 477911185 /nfs/dbraw/zinc/91/11/85/477911185.db2.gz RECSWBJTIYDIMP-CYBMUJFWSA-N -1 0 347.371 2.729 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(F)c1 ZINC000531810075 477912253 /nfs/dbraw/zinc/91/22/53/477912253.db2.gz SDGBWKCWJCXVNB-UHFFFAOYSA-N -1 0 326.368 2.551 20 30 EFEDRM Cc1cc(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[n-]nc1C ZINC000531813696 477912701 /nfs/dbraw/zinc/91/27/01/477912701.db2.gz QQOSWXDPYGDNES-IAGOWNOFSA-N -1 0 335.411 2.819 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000531907583 477913689 /nfs/dbraw/zinc/91/36/89/477913689.db2.gz JRQNYCLOXYDLGK-UHFFFAOYSA-N -1 0 327.409 2.827 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000532162976 477919449 /nfs/dbraw/zinc/91/94/49/477919449.db2.gz FEWZFFQKACIOHP-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000532417398 477924802 /nfs/dbraw/zinc/92/48/02/477924802.db2.gz GAIVHNSDYZRABH-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCCSc1nc(=NC(=O)NCc2ccc(C#N)s2)s[n-]1 ZINC000421073785 477947009 /nfs/dbraw/zinc/94/70/09/477947009.db2.gz WKURCJFRAWWFAT-UHFFFAOYSA-N -1 0 339.471 2.717 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000559354281 477978923 /nfs/dbraw/zinc/97/89/23/477978923.db2.gz QCRBQHPNWZQMBM-CXAGYDPISA-N -1 0 342.395 2.856 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)o1 ZINC000421175072 477996002 /nfs/dbraw/zinc/99/60/02/477996002.db2.gz PICDQVIQMYDPHH-UHFFFAOYSA-N -1 0 330.365 2.861 20 30 EFEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1 ZINC000559961390 478009583 /nfs/dbraw/zinc/00/95/83/478009583.db2.gz WOUSPABTCBRFBU-UHFFFAOYSA-N -1 0 335.816 2.953 20 30 EFEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000559949864 478009675 /nfs/dbraw/zinc/00/96/75/478009675.db2.gz PRDUGZFNIIBJSF-UHFFFAOYSA-N -1 0 331.397 2.574 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)nc1C ZINC000487009026 478032291 /nfs/dbraw/zinc/03/22/91/478032291.db2.gz KNFSPQRYSJZHJT-OAHLLOKOSA-N -1 0 347.378 2.971 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1c(F)cccc1Cl)[C@@H](C)C(=O)[O-] ZINC000517033929 478041190 /nfs/dbraw/zinc/04/11/90/478041190.db2.gz PNUOKVBHMDXYBK-JTQLQIEISA-N -1 0 349.811 2.660 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)nc1 ZINC000439879565 478041237 /nfs/dbraw/zinc/04/12/37/478041237.db2.gz HGFYRAUESHFFAF-UHFFFAOYSA-N -1 0 343.795 2.983 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000494693046 478045249 /nfs/dbraw/zinc/04/52/49/478045249.db2.gz HLTSLMYFSILZMD-NSHDSACASA-N -1 0 334.376 2.625 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1csc2ccccc21)C(=O)[O-] ZINC000560416066 478072086 /nfs/dbraw/zinc/07/20/86/478072086.db2.gz WWIKOBVARCZNPY-LLVKDONJSA-N -1 0 325.411 2.599 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@](CC)(COC)C(=O)[O-])c1 ZINC000517307966 478078026 /nfs/dbraw/zinc/07/80/26/478078026.db2.gz IYNUIRAJCZPOEW-QGZVFWFLSA-N -1 0 336.388 2.643 20 30 EFEDRM C=CCN(CCC#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451563078 478096478 /nfs/dbraw/zinc/09/64/78/478096478.db2.gz GLZVYZDSKALJCK-UHFFFAOYSA-N -1 0 334.319 2.501 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c([N+](=O)[O-])c3)nc1-2 ZINC000429576331 478158274 /nfs/dbraw/zinc/15/82/74/478158274.db2.gz XYNVWZUFYQCLQM-LBPRGKRZSA-N -1 0 335.323 2.973 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@](C)(CN=Nc2ccc(C(=O)[O-])cn2)C1 ZINC000495486083 478206756 /nfs/dbraw/zinc/20/67/56/478206756.db2.gz DUQHYZRZEHSIDI-QGZVFWFLSA-N -1 0 348.403 2.825 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535895289 478236119 /nfs/dbraw/zinc/23/61/19/478236119.db2.gz BZARVPKEUIEVRP-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000562458874 478252927 /nfs/dbraw/zinc/25/29/27/478252927.db2.gz HMGRGBAYGVBFCS-LRDDRELGSA-N -1 0 332.400 2.791 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000489967742 478294837 /nfs/dbraw/zinc/29/48/37/478294837.db2.gz RUIXQBFJVDVQDO-AWEZNQCLSA-N -1 0 325.324 2.857 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000562647531 478297503 /nfs/dbraw/zinc/29/75/03/478297503.db2.gz CNOAJFOFMCSMNA-LBPRGKRZSA-N -1 0 328.315 2.507 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2cccc(CC#N)c2)nc1 ZINC000590745029 478315007 /nfs/dbraw/zinc/31/50/07/478315007.db2.gz AKWKJTOZKLYCTN-UHFFFAOYSA-N -1 0 330.413 2.686 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000590745439 478315486 /nfs/dbraw/zinc/31/54/86/478315486.db2.gz WAAQDFMWOXBYOY-UHFFFAOYSA-N -1 0 332.429 2.526 20 30 EFEDRM Cc1n[nH]c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1CC1CC1 ZINC000597426290 478346699 /nfs/dbraw/zinc/34/66/99/478346699.db2.gz KCELZHBZIFMPEC-UHFFFAOYSA-N -1 0 333.399 2.732 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](OC3CCC3)C2)cc1C#N ZINC000594390872 478358046 /nfs/dbraw/zinc/35/80/46/478358046.db2.gz XNNFFDIBIKHXJT-ZDUSSCGKSA-N -1 0 347.440 2.554 20 30 EFEDRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(CC#N)cc2)c1 ZINC000538473773 478360206 /nfs/dbraw/zinc/36/02/06/478360206.db2.gz ZYVJDNKCBYWUOC-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2F)C1)C(=O)[O-] ZINC000581532907 478380794 /nfs/dbraw/zinc/38/07/94/478380794.db2.gz RRGMWRSPNHMNHJ-ZFWWWQNUSA-N -1 0 349.406 2.513 20 30 EFEDRM C[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000562927168 478381808 /nfs/dbraw/zinc/38/18/08/478381808.db2.gz RPTOAZPRPRDWED-NSHDSACASA-N -1 0 341.371 2.582 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(F)c1 ZINC000523534249 478387197 /nfs/dbraw/zinc/38/71/97/478387197.db2.gz WKNVHEKIBHYEGD-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CCCN=c1[n-]nc(SCc2cccc(C(=O)OC)c2C#N)s1 ZINC000581561954 478387885 /nfs/dbraw/zinc/38/78/85/478387885.db2.gz RKNGGRZABIZVQO-UHFFFAOYSA-N -1 0 348.453 2.732 20 30 EFEDRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000591030263 478439766 /nfs/dbraw/zinc/43/97/66/478439766.db2.gz CVZWERCFLRFDTC-NWDGAFQWSA-N -1 0 334.301 2.773 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1C#N ZINC000591088386 478460012 /nfs/dbraw/zinc/46/00/12/478460012.db2.gz MHZLWXKIDDLASR-WCQYABFASA-N -1 0 331.441 2.937 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](CC)c1cccc(Cl)c1)C(=O)[O-] ZINC000570887141 478467581 /nfs/dbraw/zinc/46/75/81/478467581.db2.gz YUORMQSFZXMTLQ-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC(CCC#N)CC2)c1 ZINC000563183765 478472638 /nfs/dbraw/zinc/47/26/38/478472638.db2.gz CYHILVHMZCENOU-UHFFFAOYSA-N -1 0 349.456 2.523 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000491221700 478476540 /nfs/dbraw/zinc/47/65/40/478476540.db2.gz ZAEOXDOPFYAHOE-UHFFFAOYSA-N -1 0 334.301 2.585 20 30 EFEDRM COc1ccnc2c([N-]S(=O)(=O)CCC(C)(C)C#N)cccc12 ZINC000563223888 478489039 /nfs/dbraw/zinc/48/90/39/478489039.db2.gz DSRPSRXCEJPNEV-UHFFFAOYSA-N -1 0 333.413 2.925 20 30 EFEDRM N#Cc1c(OCC(=O)[O-])cccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000570986854 478495879 /nfs/dbraw/zinc/49/58/79/478495879.db2.gz PXDQNDBSJUUTCX-OAHLLOKOSA-N -1 0 339.347 2.856 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000594691170 478496128 /nfs/dbraw/zinc/49/61/28/478496128.db2.gz QSWDSPGXKNZXLM-CQSZACIVSA-N -1 0 340.420 2.868 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000594690549 478496753 /nfs/dbraw/zinc/49/67/53/478496753.db2.gz LHLRDLPINPJPGD-KRWDZBQOSA-N -1 0 334.441 2.521 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)NCCCCC(=O)[O-])CC2)cc1 ZINC000591270145 478503800 /nfs/dbraw/zinc/50/38/00/478503800.db2.gz SHERXQSDECXQER-UHFFFAOYSA-N -1 0 327.384 2.612 20 30 EFEDRM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1C#N)C1CCCC1 ZINC000594722372 478511974 /nfs/dbraw/zinc/51/19/74/478511974.db2.gz ILMUFIMILUNQGX-OAHLLOKOSA-N -1 0 326.393 2.644 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000594720146 478513333 /nfs/dbraw/zinc/51/33/33/478513333.db2.gz CSZYIMVPGFNJPJ-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CC[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000600800496 478526732 /nfs/dbraw/zinc/52/67/32/478526732.db2.gz MFLOBAVXTRKBAS-RISCZKNCSA-N -1 0 325.368 2.662 20 30 EFEDRM C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[C@@H]1C(=O)[O-] ZINC000600802857 478527116 /nfs/dbraw/zinc/52/71/16/478527116.db2.gz VBKAJPRYMMRFFV-SKDRFNHKSA-N -1 0 331.322 2.932 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1[O-] ZINC000594756080 478531519 /nfs/dbraw/zinc/53/15/19/478531519.db2.gz BHKFWZKETLVTMJ-HZPDHXFCSA-N -1 0 342.420 2.853 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000571164447 478535482 /nfs/dbraw/zinc/53/54/82/478535482.db2.gz YLVLLDGFOQWDAT-XHSDSOJGSA-N -1 0 338.448 2.690 20 30 EFEDRM C=CCn1c(-c2cc(C)nc3ccccc32)n[n-]c1=Nc1cnn(C)c1 ZINC000582209993 478538833 /nfs/dbraw/zinc/53/88/33/478538833.db2.gz QXGTXPSJVQEXRW-UHFFFAOYSA-N -1 0 345.410 2.887 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000600873470 478547254 /nfs/dbraw/zinc/54/72/54/478547254.db2.gz LAVIHKZMHYXLQZ-GXFFZTMASA-N -1 0 338.385 2.611 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000600878545 478548812 /nfs/dbraw/zinc/54/88/12/478548812.db2.gz XPABHVSMVFRUHL-CZUORRHYSA-N -1 0 344.411 2.723 20 30 EFEDRM C=C(C)CS(=O)(=O)N1C[C@H](c2ccc(C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000571288978 478562619 /nfs/dbraw/zinc/56/26/19/478562619.db2.gz LLSZXHQPDKESJL-WBVHZDCISA-N -1 0 337.441 2.534 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000597899964 478565538 /nfs/dbraw/zinc/56/55/38/478565538.db2.gz GORVWSWGOXFENE-NSHDSACASA-N -1 0 346.337 2.622 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H](CC#N)C2)n1 ZINC000597900096 478565547 /nfs/dbraw/zinc/56/55/47/478565547.db2.gz IRHKVVAKQCFCFC-CQSZACIVSA-N -1 0 338.411 2.906 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000597901349 478565858 /nfs/dbraw/zinc/56/58/58/478565858.db2.gz UYMDWUHYTPCRQN-LBPRGKRZSA-N -1 0 344.802 2.997 20 30 EFEDRM C=CCC1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000594865417 478566577 /nfs/dbraw/zinc/56/65/77/478566577.db2.gz SGELHVNXVXTPAA-UHFFFAOYSA-N -1 0 328.365 2.901 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](CC#N)C2)n1 ZINC000597908166 478568545 /nfs/dbraw/zinc/56/85/45/478568545.db2.gz NUWZAMODNSDTDC-ZDUSSCGKSA-N -1 0 342.374 2.791 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597913381 478572218 /nfs/dbraw/zinc/57/22/18/478572218.db2.gz KWRRJNPZADBKDV-AWEZNQCLSA-N -1 0 349.456 2.604 20 30 EFEDRM COCCOc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000591531468 478576055 /nfs/dbraw/zinc/57/60/55/478576055.db2.gz VPKJVWDSKIARBF-UHFFFAOYSA-N -1 0 346.383 2.557 20 30 EFEDRM N#Cc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1 ZINC000600983923 478596342 /nfs/dbraw/zinc/59/63/42/478596342.db2.gz MTRBHDPNUICQIH-ZWKOTPCHSA-N -1 0 349.390 2.615 20 30 EFEDRM C=CCCSCCNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000597968544 478599870 /nfs/dbraw/zinc/59/98/70/478599870.db2.gz XONJZARYLFECGG-UHFFFAOYSA-N -1 0 331.441 2.513 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000563619984 478603181 /nfs/dbraw/zinc/60/31/81/478603181.db2.gz FMAGKXGLPFNULX-HNNXBMFYSA-N -1 0 345.848 2.916 20 30 EFEDRM C#C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000491663357 478621692 /nfs/dbraw/zinc/62/16/92/478621692.db2.gz POHFSVLEHUCZEZ-ZDUSSCGKSA-N -1 0 340.782 2.954 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])nc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496238926 478631122 /nfs/dbraw/zinc/63/11/22/478631122.db2.gz VQWSAXGYSPCIHP-LBPRGKRZSA-N -1 0 348.403 2.825 20 30 EFEDRM C=CCCS(=O)(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000563807887 478636822 /nfs/dbraw/zinc/63/68/22/478636822.db2.gz JHORRHGJNCCRRP-KRWDZBQOSA-N -1 0 347.436 2.579 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NCC2(CNC(=O)OC(C)(C)C)CCC2)n1 ZINC000496301111 478645827 /nfs/dbraw/zinc/64/58/27/478645827.db2.gz DBUCKHPEVLDKKL-UHFFFAOYSA-N -1 0 335.408 2.583 20 30 EFEDRM CN(CCCCN=Nc1ccc(C(=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496410968 478655312 /nfs/dbraw/zinc/65/53/12/478655312.db2.gz NMWYEVSWLSQVGH-UHFFFAOYSA-N -1 0 336.392 2.825 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccoc1C([O-])=C(C#N)c1ccncn1 ZINC000496564823 478671008 /nfs/dbraw/zinc/67/10/08/478671008.db2.gz NANQRAUXWDHWFE-SNVBAGLBSA-N -1 0 328.328 2.907 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000582769815 478677327 /nfs/dbraw/zinc/67/73/27/478677327.db2.gz LKGKHDZTXQHSLS-URLQWDBASA-N -1 0 346.427 2.657 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000582769812 478677627 /nfs/dbraw/zinc/67/76/27/478677627.db2.gz LKGKHDZTXQHSLS-ALKREAHSSA-N -1 0 346.427 2.657 20 30 EFEDRM Cc1cn2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)sc2n1 ZINC000542806312 478691294 /nfs/dbraw/zinc/69/12/94/478691294.db2.gz XLCJGRNRXQBUND-NSHDSACASA-N -1 0 340.412 2.512 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H]1CC(=NN=c2ccc(Cl)n[n-]2)C1(C)C ZINC000496759924 478691521 /nfs/dbraw/zinc/69/15/21/478691521.db2.gz RRWOYQNSBFTBMT-SECBINFHSA-N -1 0 339.827 2.643 20 30 EFEDRM C=CCn1c(CCc2ccco2)n[n-]c1=Nc1cnn(C(C)C)c1 ZINC000564100548 478695001 /nfs/dbraw/zinc/69/50/01/478695001.db2.gz VHQVBCVLYOPRBI-UHFFFAOYSA-N -1 0 326.404 2.785 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000571873757 478695820 /nfs/dbraw/zinc/69/58/20/478695820.db2.gz PPBVMBZHFVDTFT-KGLIPLIRSA-N -1 0 344.440 2.709 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)CSc2ccc(C#N)cc2)s[n-]1 ZINC000598192126 478698510 /nfs/dbraw/zinc/69/85/10/478698510.db2.gz UIJKMQNBQAJUEI-UHFFFAOYSA-N -1 0 332.454 2.761 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)CSCc2ccc(C#N)cc2)s[n-]1 ZINC000598192089 478698533 /nfs/dbraw/zinc/69/85/33/478698533.db2.gz TUZNILYWNRJLKH-UHFFFAOYSA-N -1 0 346.481 2.902 20 30 EFEDRM C=CCCSCCNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000595262538 478706355 /nfs/dbraw/zinc/70/63/55/478706355.db2.gz JYPSXFIOPHYHMT-FRRDWIJNSA-N -1 0 328.478 2.730 20 30 EFEDRM CC(C)(C)OC(=O)NC1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000496911276 478708369 /nfs/dbraw/zinc/70/83/69/478708369.db2.gz QXFCYEXIQZULJO-UHFFFAOYSA-N -1 0 337.351 2.979 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(CC(N=Nc3ccc(C(=O)[O-])cn3)C2)C1 ZINC000497090349 478726826 /nfs/dbraw/zinc/72/68/26/478726826.db2.gz PQAXEKMMOQRFSE-UHFFFAOYSA-N -1 0 346.387 2.579 20 30 EFEDRM CC(C)(C)OC(=O)NCCCCCN=Nc1ccc(C(=O)[O-])cn1 ZINC000497182837 478736029 /nfs/dbraw/zinc/73/60/29/478736029.db2.gz AZAYFHVWCRMUNI-UHFFFAOYSA-N -1 0 336.392 2.873 20 30 EFEDRM CC[C@@H](C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)[O-] ZINC000583206413 478791524 /nfs/dbraw/zinc/79/15/24/478791524.db2.gz MTJNGBJKIZFNBU-IUODEOHRSA-N -1 0 334.441 2.797 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000583241537 478797940 /nfs/dbraw/zinc/79/79/40/478797940.db2.gz XESZCVSCDNKDKK-OAHLLOKOSA-N -1 0 345.399 2.829 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000572400258 478827181 /nfs/dbraw/zinc/82/71/81/478827181.db2.gz ZIQSEVQFZGZBQD-QMMMGPOBSA-N -1 0 337.319 2.647 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592212896 478828594 /nfs/dbraw/zinc/82/85/94/478828594.db2.gz JDDLNBGMPNFAOY-LTIDMASMSA-N -1 0 341.411 2.721 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592212615 478828732 /nfs/dbraw/zinc/82/87/32/478828732.db2.gz DVJUYTIIPSSKMQ-CVEARBPZSA-N -1 0 327.384 2.509 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000492120555 478833499 /nfs/dbraw/zinc/83/34/99/478833499.db2.gz UFQCIHDRCCURPP-WWRUEGTHSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000492120554 478833729 /nfs/dbraw/zinc/83/37/29/478833729.db2.gz UFQCIHDRCCURPP-WKTRQSJXSA-N -1 0 345.395 2.739 20 30 EFEDRM N#CC1(C(=O)N=c2nc(Cc3ccc(F)cc3F)[n-]s2)CCCC1 ZINC000544475786 478839335 /nfs/dbraw/zinc/83/93/35/478839335.db2.gz ODXVVKFEBBVSJU-UHFFFAOYSA-N -1 0 348.378 2.851 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NCC(C)(C)C(=O)[O-])cc1OC ZINC000492138044 478842466 /nfs/dbraw/zinc/84/24/66/478842466.db2.gz LGZLGBFQEBTCMF-CLFYSBASSA-N -1 0 333.384 2.500 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000492141184 478845860 /nfs/dbraw/zinc/84/58/60/478845860.db2.gz SFCKYSOCKPKJGQ-MONCILHSSA-N -1 0 345.395 2.596 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000545293787 478918989 /nfs/dbraw/zinc/91/89/89/478918989.db2.gz GBCXBXTVCIYGSZ-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N=c3[nH][n-]cc3C#N)c2c1 ZINC000601640116 478922472 /nfs/dbraw/zinc/92/24/72/478922472.db2.gz VPAMNVISAQYFRT-UHFFFAOYSA-N -1 0 331.379 2.998 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000583935244 478974470 /nfs/dbraw/zinc/97/44/70/478974470.db2.gz ZFZIJYYYVJYSLT-YPMHNXCESA-N -1 0 331.372 2.531 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000528906472 478980527 /nfs/dbraw/zinc/98/05/27/478980527.db2.gz IJAGNTBXSFIDPI-UHFFFAOYSA-N -1 0 348.346 2.840 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000573064414 478981215 /nfs/dbraw/zinc/98/12/15/478981215.db2.gz RHSIZYIVPQJQDH-LLVKDONJSA-N -1 0 333.171 2.771 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)(C)C ZINC000598735145 478996770 /nfs/dbraw/zinc/99/67/70/478996770.db2.gz PUSAXAHBUFVUNJ-GFCCVEGCSA-N -1 0 346.431 2.523 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000528961969 479002169 /nfs/dbraw/zinc/00/21/69/479002169.db2.gz YVRWZVZJRPIBDO-UHFFFAOYSA-N -1 0 328.821 2.783 20 30 EFEDRM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)o1 ZINC000492577612 479007669 /nfs/dbraw/zinc/00/76/69/479007669.db2.gz VBACMKZNGIOHAU-HRLNJXSSSA-N -1 0 348.424 2.556 20 30 EFEDRM COC(C)(C)c1nc(=NC(=O)c2cc(C#N)ccc2Cl)s[n-]1 ZINC000601795861 479009597 /nfs/dbraw/zinc/00/95/97/479009597.db2.gz MLESGUCCTWHCTC-UHFFFAOYSA-N -1 0 336.804 2.619 20 30 EFEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1N1CCOC1=O ZINC000492608802 479010268 /nfs/dbraw/zinc/01/02/68/479010268.db2.gz MUKGHXBCIZHEGE-UHFFFAOYSA-N -1 0 337.335 2.781 20 30 EFEDRM CCc1ccc(C)nc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000598759294 479010311 /nfs/dbraw/zinc/01/03/11/479010311.db2.gz DQBXLLJGJXGKMJ-UHFFFAOYSA-N -1 0 328.397 2.899 20 30 EFEDRM CC(C)[C@@H](C=NN=c1ccc(Cl)n[n-]1)CNC(=O)OC(C)(C)C ZINC000492658481 479011783 /nfs/dbraw/zinc/01/17/83/479011783.db2.gz SPEFGIKKUGECKT-LLVKDONJSA-N -1 0 341.843 2.747 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cc3ccccc3o2)CCC1 ZINC000492647393 479012397 /nfs/dbraw/zinc/01/23/97/479012397.db2.gz OGMSRDPGPGIMRY-VOTSOKGWSA-N -1 0 344.392 2.586 20 30 EFEDRM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1ccncn1 ZINC000546153154 479012363 /nfs/dbraw/zinc/01/23/63/479012363.db2.gz NTURCAAJUHVZRT-INIZCTEOSA-N -1 0 331.379 2.828 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)CCC1CCCCC1)C(=O)[O-] ZINC000514584171 479026761 /nfs/dbraw/zinc/02/67/61/479026761.db2.gz ZJHBTNWMFOBNHN-HIFRSBDPSA-N -1 0 326.437 2.690 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C\c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000492992267 479028888 /nfs/dbraw/zinc/02/88/88/479028888.db2.gz QGOJNSNUBUGKBX-SZNGSJQDSA-N -1 0 325.311 2.837 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\SCc2ccco2)CC1 ZINC000493006498 479029679 /nfs/dbraw/zinc/02/96/79/479029679.db2.gz PIRFPBZUEGBZDJ-YHYXMXQVSA-N -1 0 327.427 2.581 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cn(C)c3ccccc23)CC1 ZINC000493255688 479041986 /nfs/dbraw/zinc/04/19/86/479041986.db2.gz NVAFIUSVINHDSM-HJWRWDBZSA-N -1 0 344.436 2.746 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000573328724 479043283 /nfs/dbraw/zinc/04/32/83/479043283.db2.gz WAXXFYDRIZDVRL-UHFFFAOYSA-N -1 0 332.429 2.613 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](C)CC(=O)[O-])cc1OC ZINC000493431726 479049698 /nfs/dbraw/zinc/04/96/98/479049698.db2.gz JRCKQLKGKZSOBJ-FNOHHLHBSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)CCC(=O)[O-] ZINC000584223498 479058893 /nfs/dbraw/zinc/05/88/93/479058893.db2.gz MEQRMVWRXPEIJU-UHFFFAOYSA-N -1 0 344.180 2.968 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000546707056 479060181 /nfs/dbraw/zinc/06/01/81/479060181.db2.gz DUVJVJZGCFXLJD-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CCn1cc(-c2cc(=O)n(-c3ccc(C#N)c(C(F)(F)F)c3)[n-]2)cn1 ZINC000601940191 479083471 /nfs/dbraw/zinc/08/34/71/479083471.db2.gz PTEHSEFASBKEBY-UHFFFAOYSA-N -1 0 347.300 2.934 20 30 EFEDRM N#Cc1sccc1N1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000595968207 479085368 /nfs/dbraw/zinc/08/53/68/479085368.db2.gz IJIHARXKTOMNKX-UHFFFAOYSA-N -1 0 348.815 2.693 20 30 EFEDRM C=CCCCS(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccsc1 ZINC000584327626 479092325 /nfs/dbraw/zinc/09/23/25/479092325.db2.gz BDWVOVXQNATRMQ-NEPJUHHUSA-N -1 0 347.483 2.545 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)cc1F ZINC000601960294 479095736 /nfs/dbraw/zinc/09/57/36/479095736.db2.gz RYLBDGWFKWLBPT-UHFFFAOYSA-N -1 0 334.376 2.810 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cn1CC1CC1 ZINC000596023214 479099035 /nfs/dbraw/zinc/09/90/35/479099035.db2.gz LXSPAMROJOODCF-UHFFFAOYSA-N -1 0 330.413 2.528 20 30 EFEDRM N#CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000567042965 479101621 /nfs/dbraw/zinc/10/16/21/479101621.db2.gz QMGFMTQAZBZHOZ-UHFFFAOYSA-N -1 0 329.287 3.000 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c(C)n1 ZINC000601976071 479105281 /nfs/dbraw/zinc/10/52/81/479105281.db2.gz CVVOSHLIWLSYCH-UHFFFAOYSA-N -1 0 347.444 2.706 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000601982389 479109133 /nfs/dbraw/zinc/10/91/33/479109133.db2.gz KHWMPHSTSPCJJK-MRVPVSSYSA-N -1 0 330.262 2.896 20 30 EFEDRM CC[C@](CC(=O)[O-])(C(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 ZINC000601983701 479110727 /nfs/dbraw/zinc/11/07/27/479110727.db2.gz SGXUDPLNQVQPGM-LJQANCHMSA-N -1 0 328.412 2.928 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000601985505 479112349 /nfs/dbraw/zinc/11/23/49/479112349.db2.gz ZNMOEIATTNJDCR-WDEREUQCSA-N -1 0 342.273 2.896 20 30 EFEDRM C=CCOC[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000584387663 479114737 /nfs/dbraw/zinc/11/47/37/479114737.db2.gz KWOHHQAGESWFKK-JCYILVPMSA-N -1 0 346.427 2.668 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)CCCC1 ZINC000547889781 479121054 /nfs/dbraw/zinc/12/10/54/479121054.db2.gz LXUKQWFOYGANFC-UHFFFAOYSA-N -1 0 348.424 2.551 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2c[nH]nc2-c2cnn(C)c2)n1 ZINC000548381807 479126140 /nfs/dbraw/zinc/12/61/40/479126140.db2.gz KVIYKYQCQBUXQU-LLVKDONJSA-N -1 0 340.412 2.880 20 30 EFEDRM COC[C@]1(C(=O)[O-])CCN(c2cc(C#N)ccc2C(F)(F)F)C1 ZINC000602010033 479134367 /nfs/dbraw/zinc/13/43/67/479134367.db2.gz AKNGSLGLPWSSPR-AWEZNQCLSA-N -1 0 328.290 2.505 20 30 EFEDRM CC(C)(C)c1[n-]n(Cc2ncnn2C(C)(C)C)c(=O)c1CCC#N ZINC000549013811 479136508 /nfs/dbraw/zinc/13/65/08/479136508.db2.gz KKNWOKFHAJTFDZ-UHFFFAOYSA-N -1 0 330.436 2.737 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(C)(C)CCC#N)c1C ZINC000554400443 479156432 /nfs/dbraw/zinc/15/64/32/479156432.db2.gz GQTHRJNRTYVDHN-UHFFFAOYSA-N -1 0 338.429 2.610 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000555629508 479166005 /nfs/dbraw/zinc/16/60/05/479166005.db2.gz GWGJXIGLNKHWPS-LBPRGKRZSA-N -1 0 345.848 2.911 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000573897402 479167320 /nfs/dbraw/zinc/16/73/20/479167320.db2.gz HYQCOOMUDXHYCV-YPMHNXCESA-N -1 0 340.807 2.826 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C)C(=O)[O-] ZINC000556708998 479180027 /nfs/dbraw/zinc/18/00/27/479180027.db2.gz KFMAYPGTOZXCHY-RDBSUJKOSA-N -1 0 326.437 2.546 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000556709691 479181311 /nfs/dbraw/zinc/18/13/11/479181311.db2.gz UXEDOVVVZTXIGG-ZACQAIPSSA-N -1 0 346.427 2.710 20 30 EFEDRM N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])s1 ZINC000610796110 479191494 /nfs/dbraw/zinc/19/14/94/479191494.db2.gz KYAJUHCYTYVXHS-BQYQJAHWSA-N -1 0 337.360 2.585 20 30 EFEDRM N#Cc1[n-]c(=NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)sc1Cl ZINC000596221009 479207796 /nfs/dbraw/zinc/20/77/96/479207796.db2.gz GKAOSMCJKSAQRM-WRWORJQWSA-N -1 0 339.770 2.986 20 30 EFEDRM N#Cc1[n-]c(=NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)sc1Cl ZINC000596221008 479208155 /nfs/dbraw/zinc/20/81/55/479208155.db2.gz GKAOSMCJKSAQRM-RDDDGLTNSA-N -1 0 339.770 2.986 20 30 EFEDRM N#Cc1[n-]c(=NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)sc1Cl ZINC000596220994 479208775 /nfs/dbraw/zinc/20/87/75/479208775.db2.gz GKAOSMCJKSAQRM-CPCISQLKSA-N -1 0 339.770 2.986 20 30 EFEDRM CC(C)(C)c1[n-]n(Cc2cn(C(C)(C)C)nn2)c(=O)c1CCC#N ZINC000596260648 479228698 /nfs/dbraw/zinc/22/86/98/479228698.db2.gz NHJOWGDXQLJXTQ-UHFFFAOYSA-N -1 0 330.436 2.737 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000574546839 479308008 /nfs/dbraw/zinc/30/80/08/479308008.db2.gz UEECZENPPQUFHS-CYBMUJFWSA-N -1 0 338.429 2.994 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000586755943 479344263 /nfs/dbraw/zinc/34/42/63/479344263.db2.gz QBIRPVJHWGZHJS-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000574775221 479346992 /nfs/dbraw/zinc/34/69/92/479346992.db2.gz ZZRKWECQQZSYNW-XJKSGUPXSA-N -1 0 342.399 2.652 20 30 EFEDRM C=CCc1cc(CNC(=O)CC(C)(C)C(=O)[O-])cc(OC)c1OC ZINC000574790167 479348984 /nfs/dbraw/zinc/34/89/84/479348984.db2.gz ZWNOXHOHBAXHLO-UHFFFAOYSA-N -1 0 335.400 2.549 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000586770252 479349037 /nfs/dbraw/zinc/34/90/37/479349037.db2.gz KHVNBWRWADSXKT-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000574880807 479364432 /nfs/dbraw/zinc/36/44/32/479364432.db2.gz IBBGUXJAODDKTE-UHFFFAOYSA-N -1 0 344.458 2.668 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000611462664 479385478 /nfs/dbraw/zinc/38/54/78/479385478.db2.gz IVGDWQWFMKSCGC-QGZVFWFLSA-N -1 0 338.363 2.707 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000596698167 479392335 /nfs/dbraw/zinc/39/23/35/479392335.db2.gz SKMZUCIMOROIMD-SNVBAGLBSA-N -1 0 333.442 2.846 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)[n-]1 ZINC000611503763 479398231 /nfs/dbraw/zinc/39/82/31/479398231.db2.gz IKDHXSYRRGNGRS-CYBMUJFWSA-N -1 0 341.390 2.654 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)[n-]1 ZINC000588259840 479411068 /nfs/dbraw/zinc/41/10/68/479411068.db2.gz NNDIQEURFKGJRD-BRWVUGGUSA-N -1 0 335.411 2.514 20 30 EFEDRM C[C@@](CNC(=O)NCC1CCC(C#N)CC1)(C(=O)[O-])c1ccccc1 ZINC000593698964 479427995 /nfs/dbraw/zinc/42/79/95/479427995.db2.gz VMSJDCKPNHDOML-ZOJXTTQQSA-N -1 0 343.427 2.658 20 30 EFEDRM CC(C)Oc1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1Cl ZINC000588767300 479439750 /nfs/dbraw/zinc/43/97/50/479439750.db2.gz BAJKDDZVODGPSL-UHFFFAOYSA-N -1 0 345.790 2.669 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(F)c2ccccc21 ZINC000589001908 479468506 /nfs/dbraw/zinc/46/85/06/479468506.db2.gz FKZZSMXIPSEUMQ-NSHDSACASA-N -1 0 337.358 2.889 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000575805442 479476978 /nfs/dbraw/zinc/47/69/78/479476978.db2.gz MBEPXTYXBNDNDR-XQLPTFJDSA-N -1 0 326.437 2.689 20 30 EFEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)s1 ZINC000604205249 479487466 /nfs/dbraw/zinc/48/74/66/479487466.db2.gz AOXQKZJVMJNUAB-JTQLQIEISA-N -1 0 349.437 2.618 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(C)c(C)s2)n1 ZINC000618561475 479492874 /nfs/dbraw/zinc/49/28/74/479492874.db2.gz ZSBGJGCRMKSLMA-SECBINFHSA-N -1 0 335.410 2.883 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000593951448 479517050 /nfs/dbraw/zinc/51/70/50/479517050.db2.gz KMXKBFWMBGOEMA-ZDUSSCGKSA-N -1 0 333.388 2.824 20 30 EFEDRM Cc1nsc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N ZINC000593960646 479522826 /nfs/dbraw/zinc/52/28/26/479522826.db2.gz BBOPQECTFCKYCC-DVVUODLYSA-N -1 0 336.417 2.580 20 30 EFEDRM CC1N=NC(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)=C1[O-] ZINC000589541864 479538294 /nfs/dbraw/zinc/53/82/94/479538294.db2.gz MYHCNXVPMUMISX-UHFFFAOYSA-N -1 0 335.323 2.735 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC000589588652 479541899 /nfs/dbraw/zinc/54/18/99/479541899.db2.gz BLFNIKUSQWGCQN-UHFFFAOYSA-N -1 0 327.409 2.827 20 30 EFEDRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589588812 479542579 /nfs/dbraw/zinc/54/25/79/479542579.db2.gz IVMFVAIUAPHDTN-UHFFFAOYSA-N -1 0 334.401 2.525 20 30 EFEDRM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589585981 479543003 /nfs/dbraw/zinc/54/30/03/479543003.db2.gz ZRUZTCIWJOXWEJ-UHFFFAOYSA-N -1 0 344.371 2.579 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1 ZINC000589659856 479557085 /nfs/dbraw/zinc/55/70/85/479557085.db2.gz SURJRULGFFTBPR-UHFFFAOYSA-N -1 0 327.409 2.827 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000618750663 479580257 /nfs/dbraw/zinc/58/02/57/479580257.db2.gz GQXXLZPVFUWKFV-SNVBAGLBSA-N -1 0 335.339 2.578 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000576587046 479581469 /nfs/dbraw/zinc/58/14/69/479581469.db2.gz NYQPDMMVBZVSLB-WBVHZDCISA-N -1 0 341.411 2.775 20 30 EFEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597147006 479592475 /nfs/dbraw/zinc/59/24/75/479592475.db2.gz JZKMSOWGHINELR-UHFFFAOYSA-N -1 0 344.802 2.997 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000597158844 479597653 /nfs/dbraw/zinc/59/76/53/479597653.db2.gz GIOWESVHGSXCAQ-UHFFFAOYSA-N -1 0 342.399 2.822 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1c(F)cccc1OC(F)F)C(=O)[O-] ZINC000578221273 479603698 /nfs/dbraw/zinc/60/36/98/479603698.db2.gz JVJLVLVNVOWNSK-NSHDSACASA-N -1 0 346.305 2.646 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@@H](c2ccc(C)cc2)[C@H]1C(=O)[O-] ZINC000578731379 479610001 /nfs/dbraw/zinc/61/00/01/479610001.db2.gz RBZGFNPCEXMMKR-HOTGVXAUSA-N -1 0 337.441 2.534 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000578946208 479634513 /nfs/dbraw/zinc/63/45/13/479634513.db2.gz PGCWJMFQUZGNEV-INIZCTEOSA-N -1 0 333.409 2.851 20 30 EFEDRM C=CCOc1cccc(NC(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000579189754 479670441 /nfs/dbraw/zinc/67/04/41/479670441.db2.gz RPIRYAMCMHKZNG-UHFFFAOYSA-N -1 0 336.413 2.723 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CCCCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000621565757 479700159 /nfs/dbraw/zinc/70/01/59/479700159.db2.gz LNBQWQLEBKNMDX-OAHLLOKOSA-N -1 0 347.411 2.658 20 30 EFEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1OC ZINC000621574161 479703970 /nfs/dbraw/zinc/70/39/70/479703970.db2.gz GWIGOZNKWGVFHL-UHFFFAOYSA-N -1 0 333.384 2.729 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000619462307 479799742 /nfs/dbraw/zinc/79/97/42/479799742.db2.gz CODUZMRUIZQAAT-UHFFFAOYSA-N -1 0 338.392 2.739 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)ccc1C(=O)[O-] ZINC000619462574 479800123 /nfs/dbraw/zinc/80/01/23/479800123.db2.gz NRZUGYATHVGTNV-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1ccc(F)c(NS(=O)(=O)c2cccc(CC#N)c2)c1C(=O)[O-] ZINC000619462100 479800462 /nfs/dbraw/zinc/80/04/62/479800462.db2.gz BLIJZSZUMLUWQI-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1cccc(C#N)c1 ZINC000615981644 479800836 /nfs/dbraw/zinc/80/08/36/479800836.db2.gz IUXSJZHFSZOMKX-VIFPVBQESA-N -1 0 335.289 2.672 20 30 EFEDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000619467176 479802458 /nfs/dbraw/zinc/80/24/58/479802458.db2.gz RSACKTVELTXLGE-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000619547359 479825040 /nfs/dbraw/zinc/82/50/40/479825040.db2.gz QKXQOPCQXLSICW-UHFFFAOYSA-N -1 0 349.437 2.996 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC000619569647 479830911 /nfs/dbraw/zinc/83/09/11/479830911.db2.gz KFIWAQYPHHKQSH-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1 ZINC000609473121 480164495 /nfs/dbraw/zinc/16/44/95/480164495.db2.gz JJSXSODTSIMRJP-UHFFFAOYSA-N -1 0 347.396 2.574 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629500690 480284553 /nfs/dbraw/zinc/28/45/53/480284553.db2.gz JWYGBDNTNXCOEQ-ZIAGYGMSSA-N -1 0 348.468 2.946 20 30 EFEDRM C=CCN(C(=O)c1cccc(Br)c1[O-])[C@@H](C)COC ZINC000617581627 480287820 /nfs/dbraw/zinc/28/78/20/480287820.db2.gz VRWTZLQMAJMVAP-JTQLQIEISA-N -1 0 328.206 2.818 20 30 EFEDRM C=CCN(C(=O)c1cccc(Br)c1[O-])[C@H](C)COC ZINC000617581628 480287967 /nfs/dbraw/zinc/28/79/67/480287967.db2.gz VRWTZLQMAJMVAP-SNVBAGLBSA-N -1 0 328.206 2.818 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccccc2CC)cc1[O-])[C@@H](C)COC ZINC000617583971 480288741 /nfs/dbraw/zinc/28/87/41/480288741.db2.gz UEJKFFCEVCFATQ-AWEZNQCLSA-N -1 0 343.427 2.803 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)[n-]1 ZINC000614430783 480304145 /nfs/dbraw/zinc/30/41/45/480304145.db2.gz APNNFXGKRREMKC-KURKYZTESA-N -1 0 349.438 2.904 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1Cl ZINC000610528189 480330912 /nfs/dbraw/zinc/33/09/12/480330912.db2.gz UYWQWWMVUIZYEG-QMMMGPOBSA-N -1 0 338.198 2.903 20 30 EFEDRM CC[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000610564507 480338305 /nfs/dbraw/zinc/33/83/05/480338305.db2.gz REFZRWXAHYLKNC-PBHICJAKSA-N -1 0 337.427 2.761 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC(C)(c2ccccc2)c2ccccc2)[n-]1 ZINC000610562963 480338390 /nfs/dbraw/zinc/33/83/90/480338390.db2.gz MMRRTHMCIYSYSK-UHFFFAOYSA-N -1 0 345.406 2.799 20 30 EFEDRM CCN(Cc1ccc2ccccc2c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610565260 480338482 /nfs/dbraw/zinc/33/84/82/480338482.db2.gz YBEVCBSWNDNVBK-UHFFFAOYSA-N -1 0 333.395 2.921 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)[n-]1 ZINC000610564579 480338618 /nfs/dbraw/zinc/33/86/18/480338618.db2.gz JLNZPOLAKCXVLC-UHFFFAOYSA-N -1 0 329.791 2.564 20 30 EFEDRM CC(C)[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccc1Cl ZINC000610562598 480338662 /nfs/dbraw/zinc/33/86/62/480338662.db2.gz YPHOKQBFVODOGD-CQSZACIVSA-N -1 0 331.807 2.886 20 30 EFEDRM CC(C)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000610565242 480338726 /nfs/dbraw/zinc/33/87/26/480338726.db2.gz REYPMBYHRMSXPI-AWEZNQCLSA-N -1 0 331.807 2.886 20 30 EFEDRM CN(Cc1cccc(Cl)c1Cl)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563083 480338846 /nfs/dbraw/zinc/33/88/46/480338846.db2.gz RGPGNOWYFYIMTK-UHFFFAOYSA-N -1 0 338.198 2.684 20 30 EFEDRM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610711233 480370866 /nfs/dbraw/zinc/37/08/66/480370866.db2.gz AYOKHHITHPWTIK-RDJZCZTQSA-N -1 0 348.374 2.845 20 30 EFEDRM CCC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(F)cc1F ZINC000610718316 480373417 /nfs/dbraw/zinc/37/34/17/480373417.db2.gz PTOLNYXNZRSTDP-AWEZNQCLSA-N -1 0 333.342 2.655 20 30 EFEDRM Cc1cc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])ccc1C#N ZINC000618085872 480511425 /nfs/dbraw/zinc/51/14/25/480511425.db2.gz OKTKUURNMVVOSC-VQHVLOKHSA-N -1 0 345.358 2.832 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000626753030 480514617 /nfs/dbraw/zinc/51/46/17/480514617.db2.gz DGMCLNFKGGGLGN-HIFRSBDPSA-N -1 0 332.400 2.504 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634834064 480567988 /nfs/dbraw/zinc/56/79/88/480567988.db2.gz UCUQJZNYLFQKDH-ISTRZQFTSA-N -1 0 337.441 2.578 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630182294 480595873 /nfs/dbraw/zinc/59/58/73/480595873.db2.gz NFPXMSAVFKSTBY-GUYCJALGSA-N -1 0 326.396 2.949 20 30 EFEDRM C=CCc1cc(CNC(=O)C(C)(C)CCC(=O)[O-])cc(OC)c1OC ZINC000634876746 480600607 /nfs/dbraw/zinc/60/06/07/480600607.db2.gz VYOZJJCMNQFVLT-UHFFFAOYSA-N -1 0 349.427 2.940 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245025 480630521 /nfs/dbraw/zinc/63/05/21/480630521.db2.gz FNPANZQSINAIAA-LLVKDONJSA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630254956 480634538 /nfs/dbraw/zinc/63/45/38/480634538.db2.gz CPRFNHDDLROGRX-JTQLQIEISA-N -1 0 343.326 2.948 20 30 EFEDRM C=CCN(C(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1)[C@H](C)COC ZINC000634928903 480641363 /nfs/dbraw/zinc/64/13/63/480641363.db2.gz AGPZRCSZNAAMKV-ACJLOTCBSA-N -1 0 337.391 2.608 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000630301051 480661173 /nfs/dbraw/zinc/66/11/73/480661173.db2.gz GOMWMPHWQDGBBB-CQSZACIVSA-N -1 0 333.384 2.729 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000630318630 480668562 /nfs/dbraw/zinc/66/85/62/480668562.db2.gz KOFKEBPSKKXMBB-LBPRGKRZSA-N -1 0 326.190 2.907 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000630317790 480668752 /nfs/dbraw/zinc/66/87/52/480668752.db2.gz AFSLLZUSYRMLRI-NSHDSACASA-N -1 0 332.183 2.908 20 30 EFEDRM C=C(C)C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000630318990 480668780 /nfs/dbraw/zinc/66/87/80/480668780.db2.gz PNSZACOCFYDASV-LBPRGKRZSA-N -1 0 331.290 2.620 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000630319372 480669007 /nfs/dbraw/zinc/66/90/07/480669007.db2.gz ZDXJYPFECWVXAT-LLVKDONJSA-N -1 0 336.438 2.950 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000630317786 480669009 /nfs/dbraw/zinc/66/90/09/480669009.db2.gz AEZCCSAMHLQEGZ-YPMHNXCESA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000630318605 480669018 /nfs/dbraw/zinc/66/90/18/480669018.db2.gz KDUBGZGNNSWVIY-HNNXBMFYSA-N -1 0 328.368 2.728 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)[O-] ZINC000630319890 480669692 /nfs/dbraw/zinc/66/96/92/480669692.db2.gz KAWVSIKXRNKMAH-CYBMUJFWSA-N -1 0 338.791 2.673 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCCC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000630320245 480670018 /nfs/dbraw/zinc/67/00/18/480670018.db2.gz RQIJEBVQTMCEOH-OAHLLOKOSA-N -1 0 333.384 2.584 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C)C(=O)[O-] ZINC000630322160 480670819 /nfs/dbraw/zinc/67/08/19/480670819.db2.gz QCYGBJRWWAIDIH-GOEBONIOSA-N -1 0 334.416 2.606 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000630322402 480670987 /nfs/dbraw/zinc/67/09/87/480670987.db2.gz RSKMQJWEUXHYBK-HNNXBMFYSA-N -1 0 347.411 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(=O)[O-] ZINC000630325107 480671602 /nfs/dbraw/zinc/67/16/02/480671602.db2.gz HUAHHAMTUFZVMR-AWEZNQCLSA-N -1 0 341.367 2.763 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCOc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000630325131 480671752 /nfs/dbraw/zinc/67/17/52/480671752.db2.gz IDHBELVRENPSMC-INIZCTEOSA-N -1 0 333.384 2.584 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000630327169 480672472 /nfs/dbraw/zinc/67/24/72/480672472.db2.gz XSKMMPMKQXMKTE-ZDUSSCGKSA-N -1 0 340.807 2.686 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000630327361 480673008 /nfs/dbraw/zinc/67/30/08/480673008.db2.gz ZVZMKLQIPIYLGF-SMDDNHRTSA-N -1 0 325.792 2.951 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-] ZINC000630489280 480744295 /nfs/dbraw/zinc/74/42/95/480744295.db2.gz ADDSRHISDIDQTE-YESZJQIVSA-N -1 0 346.427 2.826 20 30 EFEDRM C=CCC[C@H](C(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132533 480817109 /nfs/dbraw/zinc/81/71/09/480817109.db2.gz WCYIPERYGTYANL-INIZCTEOSA-N -1 0 340.427 2.938 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000647695904 481058856 /nfs/dbraw/zinc/05/88/56/481058856.db2.gz YVFZBTWNPWDEJA-UHFFFAOYSA-N -1 0 348.399 2.644 20 30 EFEDRM C=CCCCS(=O)(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000669448757 481131586 /nfs/dbraw/zinc/13/15/86/481131586.db2.gz PZLYRVNSGSPBRP-UHFFFAOYSA-N -1 0 337.441 2.860 20 30 EFEDRM C=CCn1c(=N)[n-]nc1SCc1nc(-c2ccccc2C)no1 ZINC000641980697 481134796 /nfs/dbraw/zinc/13/47/96/481134796.db2.gz PCAITGGAKGVEMK-UHFFFAOYSA-N -1 0 328.401 2.527 20 30 EFEDRM C=CCC1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC000653327276 481228766 /nfs/dbraw/zinc/22/87/66/481228766.db2.gz URZOXJBZQPNOSI-JKSUJKDBSA-N -1 0 329.396 2.789 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](CCC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659155906 481238420 /nfs/dbraw/zinc/23/84/20/481238420.db2.gz GRBJZXVFTHKGJO-CABCVRRESA-N -1 0 339.819 2.996 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659237216 481296458 /nfs/dbraw/zinc/29/64/58/481296458.db2.gz BDUDBKOONAUUSL-QAPCUYQASA-N -1 0 333.384 2.633 20 30 EFEDRM C=CCCOCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000653665298 481397187 /nfs/dbraw/zinc/39/71/87/481397187.db2.gz LYOMPGGGTYZZOQ-DOTOQJQBSA-N -1 0 331.412 2.659 20 30 EFEDRM C=CCCn1cc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])nn1 ZINC000659793393 481553966 /nfs/dbraw/zinc/55/39/66/481553966.db2.gz UKMHTQNGHBIHIM-RDJZCZTQSA-N -1 0 332.448 2.710 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2ncc(Cl)c(OCC)n2)s1 ZINC000651294008 481683900 /nfs/dbraw/zinc/68/39/00/481683900.db2.gz YANLKTAOWCJRCL-UHFFFAOYSA-N -1 0 329.838 2.551 20 30 EFEDRM CSc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000647194901 481697625 /nfs/dbraw/zinc/69/76/25/481697625.db2.gz RAPLDZGWDLKUCU-NSHDSACASA-N -1 0 327.413 2.611 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](CC)Oc1ccccc1F)C(=O)[O-] ZINC000654804171 482058333 /nfs/dbraw/zinc/05/83/33/482058333.db2.gz HDGOGXCHCXULFI-TZMCWYRMSA-N -1 0 338.379 2.702 20 30 EFEDRM C=CCCN(C)c1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649394095 482059035 /nfs/dbraw/zinc/05/90/35/482059035.db2.gz FAZXHIGVCZVQNX-UHFFFAOYSA-N -1 0 334.445 2.772 20 30 EFEDRM C=CCOCCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000654813994 482062159 /nfs/dbraw/zinc/06/21/59/482062159.db2.gz NXUWTPLAQCDLNJ-MRXNPFEDSA-N -1 0 340.807 2.532 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1OC ZINC000652075925 482063516 /nfs/dbraw/zinc/06/35/16/482063516.db2.gz CWMCGUPQQCPWRC-CYBMUJFWSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000654817915 482064024 /nfs/dbraw/zinc/06/40/24/482064024.db2.gz XHZXQLIDDPDULH-HRCADAONSA-N -1 0 332.400 2.625 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663426857 482227316 /nfs/dbraw/zinc/22/73/16/482227316.db2.gz FSBHUDZAJPMBOJ-NEPJUHHUSA-N -1 0 327.402 2.699 20 30 EFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000177994658 519727092 /nfs/dbraw/zinc/72/70/92/519727092.db2.gz LXHCGPARWMLDPU-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc21 ZINC000195448446 520088290 /nfs/dbraw/zinc/08/82/90/520088290.db2.gz YBRKYMCEUUHUAK-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000362613335 534503284 /nfs/dbraw/zinc/50/32/84/534503284.db2.gz LNOQHEHYHVOEKL-GFCCVEGCSA-N -1 0 348.399 2.931 20 30 EFEDRM CCOc1ccccc1CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000065110903 521498889 /nfs/dbraw/zinc/49/88/89/521498889.db2.gz ODHUESNDCSRGCS-UHFFFAOYSA-N -1 0 343.408 2.709 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CCOCC1 ZINC000425247747 534593465 /nfs/dbraw/zinc/59/34/65/534593465.db2.gz YXAZCWKQFIJWPA-UHFFFAOYSA-N -1 0 333.384 2.843 20 30 EFEDRM C=CCC1(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CCC1 ZINC000263185730 534595438 /nfs/dbraw/zinc/59/54/38/534595438.db2.gz RZNPKVXTKLDZEJ-UHFFFAOYSA-N -1 0 330.384 2.576 20 30 EFEDRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181079379 523003926 /nfs/dbraw/zinc/00/39/26/523003926.db2.gz VULQHYIJOIANDV-UHFFFAOYSA-N -1 0 348.380 2.610 20 30 EFEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000176997151 523332402 /nfs/dbraw/zinc/33/24/02/523332402.db2.gz ABFFHZBPRQPWOY-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(F)c(F)c1 ZINC000048677127 523348355 /nfs/dbraw/zinc/34/83/55/523348355.db2.gz ZSJZQOWJLSTBPF-UHFFFAOYSA-N -1 0 340.351 2.646 20 30 EFEDRM COCCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000057120987 523424303 /nfs/dbraw/zinc/42/43/03/523424303.db2.gz WLQXHBLGZRKRSH-UHFFFAOYSA-N -1 0 346.408 2.774 20 30 EFEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120553149 523844046 /nfs/dbraw/zinc/84/40/46/523844046.db2.gz FAANATJWWXBMMZ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1noc(COc2ccc(C)cc2)n1 ZINC000427784249 534745660 /nfs/dbraw/zinc/74/56/60/534745660.db2.gz XZQCPFPFVYRQBC-UHFFFAOYSA-N -1 0 337.401 2.665 20 30 EFEDRM O=C1N/C(=N\C2CCCC2)S/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000176380017 534782081 /nfs/dbraw/zinc/78/20/81/534782081.db2.gz XVTGELHMEFXXNG-MDWZMJQESA-N -1 0 333.369 2.803 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1CCC)C(=O)[O-] ZINC000262800942 534795207 /nfs/dbraw/zinc/79/52/07/534795207.db2.gz CPCMXKGHZBAFSD-MRXNPFEDSA-N -1 0 341.411 2.974 20 30 EFEDRM C=CCC[C@H](NC(=O)C(C)(C)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262873463 534805229 /nfs/dbraw/zinc/80/52/29/534805229.db2.gz JVBQAJHIDSHBIP-ZDUSSCGKSA-N -1 0 335.400 2.517 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC000437665389 534826317 /nfs/dbraw/zinc/82/63/17/534826317.db2.gz YVCJLMFGKHYMAY-UHFFFAOYSA-N -1 0 346.408 2.895 20 30 EFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237976381 534840199 /nfs/dbraw/zinc/84/01/99/534840199.db2.gz ITOSZNMHFQQHOC-UHFFFAOYSA-N -1 0 341.323 2.516 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000336943813 534841430 /nfs/dbraw/zinc/84/14/30/534841430.db2.gz KBUYZDWOGPCUHH-UHFFFAOYSA-N -1 0 341.392 2.920 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1F ZINC000120553962 525304188 /nfs/dbraw/zinc/30/41/88/525304188.db2.gz HEIGLYFZHHRRBS-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000120496496 525305537 /nfs/dbraw/zinc/30/55/37/525305537.db2.gz GFGIYBUNXZUJLP-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263027172 525548207 /nfs/dbraw/zinc/54/82/07/525548207.db2.gz KBSAORHKORGGHB-GHMZBOCLSA-N -1 0 341.289 2.594 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000262938843 534880786 /nfs/dbraw/zinc/88/07/86/534880786.db2.gz HPEUYXVXCLYHKR-LBPRGKRZSA-N -1 0 337.372 2.734 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262154885 525960278 /nfs/dbraw/zinc/96/02/78/525960278.db2.gz OVIHGKIBVOFZOQ-CWRNSKLLSA-N -1 0 344.411 2.865 20 30 EFEDRM CSc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cc1Cl ZINC000185649691 526053054 /nfs/dbraw/zinc/05/30/54/526053054.db2.gz CJTKQOIQAJKZIC-UHFFFAOYSA-N -1 0 342.833 2.766 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)cc1C#N ZINC000074351524 526214219 /nfs/dbraw/zinc/21/42/19/526214219.db2.gz UYVGMAWONQVINX-UHFFFAOYSA-N -1 0 349.441 2.683 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000184931464 526358975 /nfs/dbraw/zinc/35/89/75/526358975.db2.gz VAPDRTHFWCPRBN-UHFFFAOYSA-N -1 0 349.383 2.901 20 30 EFEDRM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc2ccccc2o1 ZINC000041542116 526493079 /nfs/dbraw/zinc/49/30/79/526493079.db2.gz NNEADJWXBMIHON-AWEZNQCLSA-N -1 0 346.346 2.847 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160803743 526543887 /nfs/dbraw/zinc/54/38/87/526543887.db2.gz WXZOLMMILJLJHG-HNNXBMFYSA-N -1 0 332.444 2.825 20 30 EFEDRM C=C(C)CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000154350954 526611966 /nfs/dbraw/zinc/61/19/66/526611966.db2.gz GDRCFWHXEITISH-UHFFFAOYSA-N -1 0 345.468 2.938 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCCCC#N)cc2[n-]c1=S ZINC000170902781 527285443 /nfs/dbraw/zinc/28/54/43/527285443.db2.gz JBJGACRCXOUMBT-UHFFFAOYSA-N -1 0 342.424 2.669 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)C[C@@H](C)CC)cc2[n-]c1=S ZINC000171866839 527333983 /nfs/dbraw/zinc/33/39/83/527333983.db2.gz OBZCIEQNVIQAFI-LBPRGKRZSA-N -1 0 345.468 2.989 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231728129 527564891 /nfs/dbraw/zinc/56/48/91/527564891.db2.gz LTWBCHFRGFWQMR-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000048534526 527653937 /nfs/dbraw/zinc/65/39/37/527653937.db2.gz UHJPAMWWHIWVKL-UHFFFAOYSA-N -1 0 347.440 2.804 20 30 EFEDRM CC(C)OC(=O)[C@@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000173989633 527829651 /nfs/dbraw/zinc/82/96/51/527829651.db2.gz RQDCIAJFFDNMEI-UVSFYCKTSA-N -1 0 328.752 2.960 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C)o2)C1=O ZINC000298196009 534990009 /nfs/dbraw/zinc/99/00/09/534990009.db2.gz CWRHQDKFVGQKGS-QGZVFWFLSA-N -1 0 335.404 2.904 20 30 EFEDRM CC(C)(C#N)CNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000349364739 534995999 /nfs/dbraw/zinc/99/59/99/534995999.db2.gz FUWAVIFORJEGQW-UHFFFAOYSA-N -1 0 343.456 2.957 20 30 EFEDRM CCC(CC)n1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1C ZINC000359723997 535176871 /nfs/dbraw/zinc/17/68/71/535176871.db2.gz KRYATFWAQWQRNE-UHFFFAOYSA-N -1 0 326.404 2.699 20 30 EFEDRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435488846 535326337 /nfs/dbraw/zinc/32/63/37/535326337.db2.gz GJNDHGPSROSHFE-UHFFFAOYSA-N -1 0 337.426 2.994 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435484878 535697274 /nfs/dbraw/zinc/69/72/74/535697274.db2.gz RNSJODVJADOPEY-UHFFFAOYSA-N -1 0 333.394 2.691 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000360561136 535970005 /nfs/dbraw/zinc/97/00/05/535970005.db2.gz NKILZSOMJMWMRK-IBGZPJMESA-N -1 0 348.410 2.622 20 30 EFEDRM CCc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cnn1C(CC)CC ZINC000359722165 536048662 /nfs/dbraw/zinc/04/86/62/536048662.db2.gz GCAKZMXONPRZAV-UHFFFAOYSA-N -1 0 340.431 2.953 20 30 EFEDRM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000359834711 536507551 /nfs/dbraw/zinc/50/75/51/536507551.db2.gz PPTUALYAOHUDQD-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM O=C([O-])c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000190664982 545506057 /nfs/dbraw/zinc/50/60/57/545506057.db2.gz FGEYYNBZMUZNPE-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1nnc2n1CCCCC2 ZINC000192541449 545527518 /nfs/dbraw/zinc/52/75/18/545527518.db2.gz ZZFWJGHPHOGZII-LBPRGKRZSA-N -1 0 325.372 2.750 20 30 EFEDRM Cn1cc(Br)cc(N=C([O-])N2CC[C@H]3CCC[C@H]32)c1=O ZINC000330252178 545849126 /nfs/dbraw/zinc/84/91/26/545849126.db2.gz ODGLSKZITZSQRO-BXKDBHETSA-N -1 0 340.221 2.568 20 30 EFEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])oc2CC)C1 ZINC000656718573 546899684 /nfs/dbraw/zinc/89/96/84/546899684.db2.gz VGWQVIHDTKYMAH-LLVKDONJSA-N -1 0 327.402 2.517 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nccc(-c2ccc(OC)cc2)n1 ZINC000656739243 546907268 /nfs/dbraw/zinc/90/72/68/546907268.db2.gz PLMFMNOOALAXTD-UHFFFAOYSA-N -1 0 333.413 2.860 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C ZINC000681357029 549515758 /nfs/dbraw/zinc/51/57/58/549515758.db2.gz URGHCBVZMTWFAO-SECBINFHSA-N -1 0 330.344 2.668 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000681557699 549565828 /nfs/dbraw/zinc/56/58/28/549565828.db2.gz DQHNHLBCDYKHMM-SNVBAGLBSA-N -1 0 345.829 2.862 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1c(CC)cccc1CC)C(=O)[O-] ZINC000681578955 549570544 /nfs/dbraw/zinc/57/05/44/549570544.db2.gz JXTYFVKZLVAZLU-CQSZACIVSA-N -1 0 325.430 2.509 20 30 EFEDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)O1 ZINC000682521358 549756893 /nfs/dbraw/zinc/75/68/93/549756893.db2.gz IVJWCJBVWDDWHF-CVEARBPZSA-N -1 0 341.388 2.719 20 30 EFEDRM C=CCOC[C@H](NC(=O)NCC1(CC(C)C)CCCC1)C(=O)[O-] ZINC000684742583 550087618 /nfs/dbraw/zinc/08/76/18/550087618.db2.gz RHQMMJVBLQCKAB-AWEZNQCLSA-N -1 0 326.437 2.548 20 30 EFEDRM O=C([O-])c1cnc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cn1 ZINC000685019668 550127644 /nfs/dbraw/zinc/12/76/44/550127644.db2.gz WRHKXWWNORTMPA-UHFFFAOYSA-N -1 0 349.371 2.888 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc2cc(F)ccc2s1 ZINC000685787834 550182487 /nfs/dbraw/zinc/18/24/87/550182487.db2.gz BXVAPDIXTWPUQL-SECBINFHSA-N -1 0 328.328 2.514 20 30 EFEDRM CC(C)(C)c1nc(C#N)c([N-]N=C2c3cccc(F)c3NC2=O)o1 ZINC000753960418 575366986 /nfs/dbraw/zinc/36/69/86/575366986.db2.gz RPSZUPRHFWDXGX-UHFFFAOYSA-N -1 0 327.319 2.751 20 30 EFEDRM Cc1cc(C)nc([N-]N=C2c3cc(C(F)(F)F)ccc3NC2=O)n1 ZINC000754253204 575411042 /nfs/dbraw/zinc/41/10/42/575411042.db2.gz BHTAWCVDLMQEIE-UHFFFAOYSA-N -1 0 335.289 2.881 20 30 EFEDRM C=C1CCN(C(=O)c2cccc(I)c2[O-])CC1 ZINC000755257082 575566487 /nfs/dbraw/zinc/56/64/87/575566487.db2.gz PRVQBUZDMUFYJO-UHFFFAOYSA-N -1 0 343.164 2.789 20 30 EFEDRM Oc1cc(Br)c(O)c(CN=Nc2ccc(Cl)nn2)c1 ZINC000755480150 575590217 /nfs/dbraw/zinc/59/02/17/575590217.db2.gz CNUPKWWZEGVPAQ-UHFFFAOYSA-N -1 0 343.568 2.750 20 30 EFEDRM CSCCC=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000755598014 575605969 /nfs/dbraw/zinc/60/59/69/575605969.db2.gz BAWHXAXQGUMRBB-UHFFFAOYSA-N -1 0 340.430 2.610 20 30 EFEDRM COc1cc(CN=Nc2ncccc2Cl)ccc1OCC(=O)[O-] ZINC000755656649 575614134 /nfs/dbraw/zinc/61/41/34/575614134.db2.gz WVHRYPKHTRONFC-UHFFFAOYSA-N -1 0 335.747 2.653 20 30 EFEDRM COC(=O)c1cccc(COC(=O)c2c(F)cc([O-])cc2F)c1C#N ZINC000756190673 575700285 /nfs/dbraw/zinc/70/02/85/575700285.db2.gz IIFJPNWDNSYBTN-UHFFFAOYSA-N -1 0 347.273 2.686 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)OCC ZINC000756502883 575749826 /nfs/dbraw/zinc/74/98/26/575749826.db2.gz ZJTBBPFNOMWSFC-CYBMUJFWSA-N -1 0 331.821 2.516 20 30 EFEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)OCC ZINC000756578990 575764936 /nfs/dbraw/zinc/76/49/36/575764936.db2.gz HZFLDDDIDUZRHR-CQSZACIVSA-N -1 0 345.848 2.657 20 30 EFEDRM Cn1c(=O)oc2cc(/C=C\C(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000756630663 575770675 /nfs/dbraw/zinc/77/06/75/575770675.db2.gz GICFGNOJACILID-HYXAFXHYSA-N -1 0 329.333 2.787 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(NC(C)=O)cc1 ZINC000756905766 575799687 /nfs/dbraw/zinc/79/96/87/575799687.db2.gz IXPPDVLAJFEMSV-UHFFFAOYSA-N -1 0 327.340 2.798 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1ccc(C)c2C ZINC000756906261 575799689 /nfs/dbraw/zinc/79/96/89/575799689.db2.gz XHCQFFSVOYCADI-UHFFFAOYSA-N -1 0 339.351 2.779 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000756906208 575799697 /nfs/dbraw/zinc/79/96/97/575799697.db2.gz UVIZNWLHRHKIMP-UHFFFAOYSA-N -1 0 345.311 2.756 20 30 EFEDRM CO[C@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)C(F)(F)F ZINC000756997729 575809407 /nfs/dbraw/zinc/80/94/07/575809407.db2.gz MMNSNCAAPWBSDI-MRVPVSSYSA-N -1 0 333.203 2.750 20 30 EFEDRM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000757009671 575810489 /nfs/dbraw/zinc/81/04/89/575810489.db2.gz MFMARKUQRGTYTF-VIFPVBQESA-N -1 0 336.335 2.561 20 30 EFEDRM CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000757310478 575836601 /nfs/dbraw/zinc/83/66/01/575836601.db2.gz BCWMABPPMQZKLV-UHFFFAOYSA-N -1 0 344.392 2.739 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC000757451684 575839661 /nfs/dbraw/zinc/83/96/61/575839661.db2.gz XPSOSDWNIKJHDG-UHFFFAOYSA-N -1 0 335.429 2.611 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NC(C)c2cccc(OCC(=O)[O-])c2)o1 ZINC000757460322 575839747 /nfs/dbraw/zinc/83/97/47/575839747.db2.gz DNESCUZMCXWRHY-UHFFFAOYSA-N -1 0 342.355 2.969 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1OCC#N ZINC000757472676 575840178 /nfs/dbraw/zinc/84/01/78/575840178.db2.gz RPNGRDKRXBBGSR-KXFIGUGUSA-N -1 0 325.320 2.905 20 30 EFEDRM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1 ZINC000758434359 575869680 /nfs/dbraw/zinc/86/96/80/575869680.db2.gz PXVVQDRBGZHCFE-SBKJXLNCSA-N -1 0 342.347 2.934 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc3c4c(cccc42)CC3)nn1 ZINC000759075531 575884123 /nfs/dbraw/zinc/88/41/23/575884123.db2.gz HRCNGCOKJAKROL-CLFYSBASSA-N -1 0 333.347 2.511 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)nn1 ZINC000759082534 575884216 /nfs/dbraw/zinc/88/42/16/575884216.db2.gz DGZYRHCZAIUFRY-SNAWJCMRSA-N -1 0 326.139 2.566 20 30 EFEDRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2[nH]1 ZINC000759148185 575885647 /nfs/dbraw/zinc/88/56/47/575885647.db2.gz PIAMCLLGBTUUFS-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM Cc1nn(C)c(C)c1C(=N[N-]c1ncccc1[N+](=O)[O-])C(F)(F)F ZINC000759203664 575886920 /nfs/dbraw/zinc/88/69/20/575886920.db2.gz SPBWUYXOOHHXPU-UHFFFAOYSA-N -1 0 342.281 2.719 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccco1 ZINC000759235389 575887459 /nfs/dbraw/zinc/88/74/59/575887459.db2.gz AXSIRYPIULMDEU-LLVKDONJSA-N -1 0 328.324 2.607 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CO[C@@H](C)CC ZINC000759239439 575887545 /nfs/dbraw/zinc/88/75/45/575887545.db2.gz OPWPUCMYLOVYDH-GWCFXTLKSA-N -1 0 348.399 2.515 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1 ZINC000759271380 575888301 /nfs/dbraw/zinc/88/83/01/575888301.db2.gz HNRZRCGUASORSK-PCAWENJQSA-N -1 0 345.355 2.744 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cs1 ZINC000759429373 575891510 /nfs/dbraw/zinc/89/15/10/575891510.db2.gz JDYIUOXCAVZRKI-NSHDSACASA-N -1 0 328.821 2.655 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cs1 ZINC000759429371 575891519 /nfs/dbraw/zinc/89/15/19/575891519.db2.gz JDYIUOXCAVZRKI-LLVKDONJSA-N -1 0 328.821 2.655 20 30 EFEDRM COC(=O)[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(C#N)c1 ZINC000759543307 575897655 /nfs/dbraw/zinc/89/76/55/575897655.db2.gz ZKLMRJIMGWCSDZ-OAHLLOKOSA-N -1 0 347.273 2.613 20 30 EFEDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC1 ZINC000759549842 575899116 /nfs/dbraw/zinc/89/91/16/575899116.db2.gz KNXMQSPUKBZFJK-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000759549271 575899148 /nfs/dbraw/zinc/89/91/48/575899148.db2.gz FTMYTQOHYVFOAY-GHMZBOCLSA-N -1 0 340.832 2.843 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713242 575924761 /nfs/dbraw/zinc/92/47/61/575924761.db2.gz JRCBMLGDKNILPH-OLZOCXBDSA-N -1 0 345.399 2.896 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cnnn2-c2ccccc2Cl)c1 ZINC000759720486 575925920 /nfs/dbraw/zinc/92/59/20/575925920.db2.gz IJTRPCSCTLMFJW-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM CNC(=S)NN=C(C)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000760244950 575994802 /nfs/dbraw/zinc/99/48/02/575994802.db2.gz ZGEIZVLOWWVFBU-UHFFFAOYSA-N -1 0 343.408 2.995 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000760365848 576013098 /nfs/dbraw/zinc/01/30/98/576013098.db2.gz ZHXKESMFVUECEH-UHFFFAOYSA-N -1 0 336.344 2.537 20 30 EFEDRM COC(=O)[C@H](CC(F)F)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761180034 576126165 /nfs/dbraw/zinc/12/61/65/576126165.db2.gz GYSGEKSUMJMFHK-RQKSUGJFSA-N -1 0 336.678 2.570 20 30 EFEDRM Cn1cnc2cc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)ccc21 ZINC000761200435 576128892 /nfs/dbraw/zinc/12/88/92/576128892.db2.gz LQZPCSQVECMODW-SOFGYWHQSA-N -1 0 336.347 2.933 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)nc2Cl)C(=O)O1 ZINC000761475157 576167909 /nfs/dbraw/zinc/16/79/09/576167909.db2.gz MVHDFGYVQXVVEN-QQHVMHFCSA-N -1 0 326.135 2.617 20 30 EFEDRM CN(C)c1ccc2c(c1)NC(=O)C2=NN=c1[n-]c(-c2ccccc2)no1 ZINC000761804566 576213630 /nfs/dbraw/zinc/21/36/30/576213630.db2.gz VMGWAAUCIWNCHU-UHFFFAOYSA-N -1 0 348.366 2.571 20 30 EFEDRM COc1cc(F)ccc1NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000761889248 576225901 /nfs/dbraw/zinc/22/59/01/576225901.db2.gz CNLMSEXUIKWEHE-UHFFFAOYSA-N -1 0 328.303 2.855 20 30 EFEDRM O=C([N-]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000762397777 576298168 /nfs/dbraw/zinc/29/81/68/576298168.db2.gz MRPVJFQNHYVXOK-QMMMGPOBSA-N -1 0 349.202 2.635 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000763252030 576369699 /nfs/dbraw/zinc/36/96/99/576369699.db2.gz KLFUFJIPKTUZCE-UHFFFAOYSA-N -1 0 343.195 2.650 20 30 EFEDRM CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000763367499 576374411 /nfs/dbraw/zinc/37/44/11/576374411.db2.gz AOUSKWQDXNNPPQ-UHFFFAOYSA-N -1 0 327.340 2.777 20 30 EFEDRM Cc1nn(C)c(C)c1C(=NNc1ccc(C(=O)[O-])cn1)C(F)(F)F ZINC000763369415 576374535 /nfs/dbraw/zinc/37/45/35/576374535.db2.gz VBAVMJJZHKPZDA-UHFFFAOYSA-N -1 0 341.293 2.509 20 30 EFEDRM COc1ccc(OC(F)F)c(CN=Nc2ccc(C(=O)[O-])cn2)c1 ZINC000763369598 576374572 /nfs/dbraw/zinc/37/45/72/576374572.db2.gz INTYFHDBNNVFCX-UHFFFAOYSA-N -1 0 337.282 2.836 20 30 EFEDRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)s1 ZINC000763372813 576374783 /nfs/dbraw/zinc/37/47/83/576374783.db2.gz ANNYMYDKBBETLZ-SNVBAGLBSA-N -1 0 337.426 2.797 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000763927838 576411189 /nfs/dbraw/zinc/41/11/89/576411189.db2.gz OFYQEJZWJCWSGB-SWLSCSKDSA-N -1 0 346.390 2.896 20 30 EFEDRM C=CC[C@@H](C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)c1ccccc1 ZINC000764287055 576446479 /nfs/dbraw/zinc/44/64/79/576446479.db2.gz FZEVTFXMFZXRIB-OAHLLOKOSA-N -1 0 339.457 2.607 20 30 EFEDRM N#Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(Cl)c([N+](=O)[O-])c1 ZINC000764306359 576446994 /nfs/dbraw/zinc/44/69/94/576446994.db2.gz TVBMOYZVSMDXJS-UHFFFAOYSA-N -1 0 336.647 2.873 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c1 ZINC000765072346 577003503 /nfs/dbraw/zinc/00/35/03/577003503.db2.gz ANWDHAGIRXARNZ-UHFFFAOYSA-N -1 0 341.820 2.829 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1cccc([N+](=O)[O-])c1 ZINC000765547509 577053235 /nfs/dbraw/zinc/05/32/35/577053235.db2.gz BKNATWKIIUJUOV-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM Cc1c(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)cccc1[N+](=O)[O-] ZINC000765572435 577055361 /nfs/dbraw/zinc/05/53/61/577055361.db2.gz RMJLNOQDALDCFJ-UHFFFAOYSA-N -1 0 339.311 2.924 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000765982167 577095092 /nfs/dbraw/zinc/09/50/92/577095092.db2.gz IBLJNTIINZXEIG-AWEZNQCLSA-N -1 0 342.361 2.904 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)ccc1C#N ZINC000766547284 577164922 /nfs/dbraw/zinc/16/49/22/577164922.db2.gz ITJZIRUMTRMJGG-ZDUSSCGKSA-N -1 0 341.392 2.958 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000766548452 577165021 /nfs/dbraw/zinc/16/50/21/577165021.db2.gz PXXPRCPJSGAUJS-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1nnc(C)c(=O)[n-]1 ZINC000766688814 577177174 /nfs/dbraw/zinc/17/71/74/577177174.db2.gz OBFZXAUKJXHQBZ-UHFFFAOYSA-N -1 0 348.388 2.764 20 30 EFEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766981355 577190675 /nfs/dbraw/zinc/19/06/75/577190675.db2.gz FWQFXYBYDYRLQY-ZDUSSCGKSA-N -1 0 338.429 2.588 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@](C)(CC)CC(=O)[O-])c(OC)c1 ZINC000767051507 577194242 /nfs/dbraw/zinc/19/42/42/577194242.db2.gz LPKBLRRFTANLKU-SFHVURJKSA-N -1 0 335.400 2.562 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cnc1Cl ZINC000767452620 577208934 /nfs/dbraw/zinc/20/89/34/577208934.db2.gz AOEPJFIDZKYXFS-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)OCC ZINC000767569696 577215396 /nfs/dbraw/zinc/21/53/96/577215396.db2.gz VQDBEAZGMSLNAU-ZDUSSCGKSA-N -1 0 345.848 2.825 20 30 EFEDRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F ZINC000767602310 577217804 /nfs/dbraw/zinc/21/78/04/577217804.db2.gz DPVFCUHBBCDJPB-PRHODGIISA-N -1 0 338.326 2.953 20 30 EFEDRM Fc1cc(F)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000767756001 577232075 /nfs/dbraw/zinc/23/20/75/577232075.db2.gz XQYVCGLLIZMRFT-UHFFFAOYSA-N -1 0 326.225 2.885 20 30 EFEDRM C#C[C@@H](CC)OC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000768042680 577250903 /nfs/dbraw/zinc/25/09/03/577250903.db2.gz SLVQGPZTDZZMRO-NSHDSACASA-N -1 0 335.303 2.517 20 30 EFEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc2cc(F)ccc2s1 ZINC000739075676 577266586 /nfs/dbraw/zinc/26/65/86/577266586.db2.gz UWWNKAKMIDXHMK-VIFPVBQESA-N -1 0 338.385 2.820 20 30 EFEDRM [O-]c1c(F)cc(Cl)cc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000768355282 577268149 /nfs/dbraw/zinc/26/81/49/577268149.db2.gz OUWYVMQFXSQGGV-SNVBAGLBSA-N -1 0 342.783 2.799 20 30 EFEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739102248 577279779 /nfs/dbraw/zinc/27/97/79/577279779.db2.gz UDOGSEQUPUVLCQ-UHFFFAOYSA-N -1 0 344.317 2.954 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)COc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739109806 577281318 /nfs/dbraw/zinc/28/13/18/577281318.db2.gz NGBPCHXIBPOZQE-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(N)c(Cl)c2)C(=O)[O-])cc1 ZINC000739113975 577282098 /nfs/dbraw/zinc/28/20/98/577282098.db2.gz DIAZKRCHLODZDW-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(N)c(Cl)c2)C(=O)[O-])cc1 ZINC000739113974 577282109 /nfs/dbraw/zinc/28/21/09/577282109.db2.gz DIAZKRCHLODZDW-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2c(O)cccc2Cl)C(=O)[O-])cc1 ZINC000739115375 577282224 /nfs/dbraw/zinc/28/22/24/577282224.db2.gz PXSMAESHWCWMNF-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnc(N3CCCC3)s2)C(=O)[O-])cc1 ZINC000739117021 577282330 /nfs/dbraw/zinc/28/23/30/577282330.db2.gz HLVQKUKWSJNKTR-LBPRGKRZSA-N -1 0 346.437 2.928 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000739132477 577284080 /nfs/dbraw/zinc/28/40/80/577284080.db2.gz SRCLEFNLEGLGJL-UHFFFAOYSA-N -1 0 342.376 2.752 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000768764579 577299654 /nfs/dbraw/zinc/29/96/54/577299654.db2.gz WDBLCTAELLIQCV-ZDUSSCGKSA-N -1 0 341.411 2.545 20 30 EFEDRM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)nn1 ZINC000768849999 577309482 /nfs/dbraw/zinc/30/94/82/577309482.db2.gz VVRDTECRLLZWSL-KHPPLWFESA-N -1 0 333.347 2.926 20 30 EFEDRM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)nn1 ZINC000768849083 577309487 /nfs/dbraw/zinc/30/94/87/577309487.db2.gz QYWBQBPQUNFVPR-DUXPYHPUSA-N -1 0 326.139 2.566 20 30 EFEDRM COC(=O)N1CCC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000726428501 577364380 /nfs/dbraw/zinc/36/43/80/577364380.db2.gz BXYVCTCTIITQCR-CRZGJZTJSA-N -1 0 341.751 2.604 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1C#N ZINC000769620991 577375652 /nfs/dbraw/zinc/37/56/52/577375652.db2.gz JKLLNVQKWQCHAE-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCNC(=O)[O-] ZINC000738290413 577378254 /nfs/dbraw/zinc/37/82/54/577378254.db2.gz CLVHNOOGUNQDCV-UHFFFAOYSA-N -1 0 341.820 2.869 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000769728606 577381567 /nfs/dbraw/zinc/38/15/67/577381567.db2.gz RBFPXXLVXCITBK-UHFFFAOYSA-N -1 0 335.784 2.812 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(F)F)cc2)c1 ZINC000726731243 577382305 /nfs/dbraw/zinc/38/23/05/577382305.db2.gz WXPZVIKQPIFSOF-UHFFFAOYSA-N -1 0 336.319 2.615 20 30 EFEDRM O=C([O-])COc1ccccc1CN=Nc1nc(-c2ccccc2)no1 ZINC000726739084 577383253 /nfs/dbraw/zinc/38/32/53/577383253.db2.gz CHUPAOVYHDKWNT-UHFFFAOYSA-N -1 0 338.323 2.646 20 30 EFEDRM COC(=O)c1cc(NCCOc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000737663036 577388066 /nfs/dbraw/zinc/38/80/66/577388066.db2.gz ADRRPYIMVDNJPF-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1 ZINC000769941048 577394576 /nfs/dbraw/zinc/39/45/76/577394576.db2.gz HMPKINNGAANLEE-INIZCTEOSA-N -1 0 338.411 2.883 20 30 EFEDRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738319477 577394652 /nfs/dbraw/zinc/39/46/52/577394652.db2.gz MDRRVAFLKNYGDL-GFCCVEGCSA-N -1 0 339.395 2.759 20 30 EFEDRM CN(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000770101080 577402090 /nfs/dbraw/zinc/40/20/90/577402090.db2.gz XAJZFYGZKPJXKJ-CQSZACIVSA-N -1 0 331.391 2.663 20 30 EFEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)nn1C(C)(C)C ZINC000738347630 577405886 /nfs/dbraw/zinc/40/58/86/577405886.db2.gz QUDFCIKDHQAKFS-HNNXBMFYSA-N -1 0 341.367 2.801 20 30 EFEDRM Cc1cc(C)n([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738370894 577420446 /nfs/dbraw/zinc/42/04/46/577420446.db2.gz WMUBEMZNSMIWJH-GUYCJALGSA-N -1 0 341.367 2.692 20 30 EFEDRM COC(=O)c1cc(NCCOc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000737665967 577423049 /nfs/dbraw/zinc/42/30/49/577423049.db2.gz PTGRBRRGKJPXSC-UHFFFAOYSA-N -1 0 340.335 2.534 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000740159763 577428280 /nfs/dbraw/zinc/42/82/80/577428280.db2.gz CQBZUHAQHFRKIK-UHFFFAOYSA-N -1 0 325.246 2.950 20 30 EFEDRM Cc1cc(F)cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1N ZINC000738396277 577429341 /nfs/dbraw/zinc/42/93/41/577429341.db2.gz AEGMZIBMPVKDGJ-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1-n1cccc1 ZINC000770860987 581142600 /nfs/dbraw/zinc/14/26/00/581142600.db2.gz CMQGKJUDKTZHBZ-HNNXBMFYSA-N -1 0 332.363 2.725 20 30 EFEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770869152 581143782 /nfs/dbraw/zinc/14/37/82/581143782.db2.gz RIGWCBWDERDPBX-SNVBAGLBSA-N -1 0 340.364 2.650 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccnc(Oc2ccccc2)c1 ZINC000770872088 581144141 /nfs/dbraw/zinc/14/41/41/581144141.db2.gz RCDJWKNKWZOBPX-OAHLLOKOSA-N -1 0 346.346 2.813 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000770876444 581144551 /nfs/dbraw/zinc/14/45/51/581144551.db2.gz LCUWBEYXBHKJIA-LLVKDONJSA-N -1 0 327.340 2.979 20 30 EFEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770877790 581144853 /nfs/dbraw/zinc/14/48/53/581144853.db2.gz UHVWRESLXGVNPG-LBPRGKRZSA-N -1 0 337.335 2.518 20 30 EFEDRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771073524 581171554 /nfs/dbraw/zinc/17/15/54/581171554.db2.gz BKVGNKLNNMVCQZ-UHFFFAOYSA-N -1 0 334.441 2.639 20 30 EFEDRM CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771073444 581171687 /nfs/dbraw/zinc/17/16/87/581171687.db2.gz AGCOFJDVCGQOGQ-ZDUSSCGKSA-N -1 0 334.441 2.954 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)CCC1 ZINC000771075585 581171936 /nfs/dbraw/zinc/17/19/36/581171936.db2.gz ZTUUMSDFTBLRPF-UHFFFAOYSA-N -1 0 346.452 2.539 20 30 EFEDRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)CC3(C#N)CCC3)cc2c1C ZINC000771078152 581172277 /nfs/dbraw/zinc/17/22/77/581172277.db2.gz YQHSXKPSCOOIMC-UHFFFAOYSA-N -1 0 345.424 2.538 20 30 EFEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771079926 581172479 /nfs/dbraw/zinc/17/24/79/581172479.db2.gz NNHDZCRWITVIGK-HNNXBMFYSA-N -1 0 334.441 2.566 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCC(F)(F)F)n1 ZINC000771130009 581178523 /nfs/dbraw/zinc/17/85/23/581178523.db2.gz HBEYGPLPEWVBOL-VIFPVBQESA-N -1 0 334.319 2.904 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)cc2C)n1 ZINC000771404213 581208356 /nfs/dbraw/zinc/20/83/56/581208356.db2.gz FSZHRIYONHJDCE-ZDUSSCGKSA-N -1 0 332.356 2.932 20 30 EFEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000772682614 581355452 /nfs/dbraw/zinc/35/54/52/581355452.db2.gz YJZIXKXNSADSOY-AWEZNQCLSA-N -1 0 347.378 2.632 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000772713390 581358887 /nfs/dbraw/zinc/35/88/87/581358887.db2.gz PFGSKOICIGRUPW-CQSZACIVSA-N -1 0 346.452 2.960 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)c1)C(=O)[O-] ZINC000773158169 581401547 /nfs/dbraw/zinc/40/15/47/581401547.db2.gz ACQWOQATZPZGIL-FNQVVVRFSA-N -1 0 334.331 2.903 20 30 EFEDRM COc1cc(/C=C2/Oc3cc(F)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000773170102 581402639 /nfs/dbraw/zinc/40/26/39/581402639.db2.gz CQTDIVMUOYWWOE-FRKPEAEDSA-N -1 0 344.294 2.914 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1 ZINC000774045873 581480214 /nfs/dbraw/zinc/48/02/14/581480214.db2.gz ZSGUUGBFTBMJQV-AWEZNQCLSA-N -1 0 347.390 2.803 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000774052076 581480594 /nfs/dbraw/zinc/48/05/94/581480594.db2.gz GZTRFNFPRKWXGD-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM COC(=O)c1coc(/C=C\C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000774125885 581484645 /nfs/dbraw/zinc/48/46/45/581484645.db2.gz CQHXFHGIYOAGOK-ZADCQDASSA-N -1 0 344.319 2.814 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc1 ZINC000774143087 581485388 /nfs/dbraw/zinc/48/53/88/581485388.db2.gz BGBXZNJCRJGOJS-UKTHLTGXSA-N -1 0 337.331 2.759 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)OCc3n[nH]c(=O)[n-]3)c2)cc1 ZINC000774944401 581504825 /nfs/dbraw/zinc/50/48/25/581504825.db2.gz CMAPSWGYBYLBNS-UHFFFAOYSA-N -1 0 336.307 2.531 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000818432298 597002776 /nfs/dbraw/zinc/00/27/76/597002776.db2.gz MFGQEYANIPPOKY-UHFFFAOYSA-N -1 0 343.408 2.903 20 30 EFEDRM C=CCn1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000738503402 597049858 /nfs/dbraw/zinc/04/98/58/597049858.db2.gz QHQHBZBAAIZSHN-MRVPVSSYSA-N -1 0 336.438 2.698 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000819106476 597091690 /nfs/dbraw/zinc/09/16/90/597091690.db2.gz TYVHTSWQNUPNJS-MRXNPFEDSA-N -1 0 344.411 2.821 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000819051392 597093065 /nfs/dbraw/zinc/09/30/65/597093065.db2.gz NYXALYCVSVOLFZ-CYBMUJFWSA-N -1 0 341.367 2.577 20 30 EFEDRM N#CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000819090805 597172460 /nfs/dbraw/zinc/17/24/60/597172460.db2.gz DFRINJSCPRZSPU-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000817791942 597298670 /nfs/dbraw/zinc/29/86/70/597298670.db2.gz UWTFLUQYJCCHSA-OVCLIPMQSA-N -1 0 333.409 2.917 20 30 EFEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000817762280 597465451 /nfs/dbraw/zinc/46/54/51/597465451.db2.gz FCIJMVKOMLWXCG-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(=O)[O-])cc1 ZINC000818556064 597491506 /nfs/dbraw/zinc/49/15/06/597491506.db2.gz LDCNPSZSPWKCIK-UHFFFAOYSA-N -1 0 341.323 2.565 20 30 EFEDRM Cc1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000821076037 597603184 /nfs/dbraw/zinc/60/31/84/597603184.db2.gz QKLSOPRAXHJPHN-SFHVURJKSA-N -1 0 340.383 2.741 20 30 EFEDRM Cn1c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2nc1C(C)(C)C ZINC000821269401 597605087 /nfs/dbraw/zinc/60/50/87/597605087.db2.gz VHVNBUAROSSXBH-SFHVURJKSA-N -1 0 342.399 2.814 20 30 EFEDRM Cc1c(Br)cccc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820934100 597605136 /nfs/dbraw/zinc/60/51/36/597605136.db2.gz CPVUDQPSMDKNOI-AWEZNQCLSA-N -1 0 340.173 2.805 20 30 EFEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819821378 597605678 /nfs/dbraw/zinc/60/56/78/597605678.db2.gz FKICUSJEZMZZQC-KSSFIOAISA-N -1 0 327.384 2.670 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819821379 597605784 /nfs/dbraw/zinc/60/57/84/597605784.db2.gz FKICUSJEZMZZQC-RDTXWAMCSA-N -1 0 327.384 2.670 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000819810530 597607204 /nfs/dbraw/zinc/60/72/04/597607204.db2.gz CCWSWJRATROMEZ-KRWDZBQOSA-N -1 0 332.787 2.960 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000819821683 597608229 /nfs/dbraw/zinc/60/82/29/597608229.db2.gz JFANBMBDKQGFBI-WBMJQRKESA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000819821051 597608574 /nfs/dbraw/zinc/60/85/74/597608574.db2.gz CCRYZEOJWFLGAR-WBMJQRKESA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820106892 597611742 /nfs/dbraw/zinc/61/17/42/597611742.db2.gz BRAZXFQQOWPECV-MEBBXXQBSA-N -1 0 342.317 2.757 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cnc1N1CCCC[C@H]1C ZINC000821009090 597612159 /nfs/dbraw/zinc/61/21/59/597612159.db2.gz VKJXDFZKWNSHQS-FZKQIMNGSA-N -1 0 344.415 2.712 20 30 EFEDRM Cc1ccc(-c2cnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052604 597615891 /nfs/dbraw/zinc/61/58/91/597615891.db2.gz POMNPMRLDBGRPV-QGZVFWFLSA-N -1 0 328.324 2.698 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cccc2ccccc21 ZINC000819866314 597619752 /nfs/dbraw/zinc/61/97/52/597619752.db2.gz VKNPAFFRVQOEIS-GOSISDBHSA-N -1 0 325.320 2.570 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCOc1ccc2ccccc2c1 ZINC000819864700 597621779 /nfs/dbraw/zinc/62/17/79/597621779.db2.gz BUBKUKISQPYZMG-GOSISDBHSA-N -1 0 327.336 2.766 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Cl)cc2cccnc21 ZINC000819875244 597622337 /nfs/dbraw/zinc/62/23/37/597622337.db2.gz VYGRZDVLXBOEDG-MRXNPFEDSA-N -1 0 332.743 2.936 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000819875487 597625035 /nfs/dbraw/zinc/62/50/35/597625035.db2.gz XLHGXIDGEVLQID-MRXNPFEDSA-N -1 0 348.355 2.997 20 30 EFEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000820161556 597625391 /nfs/dbraw/zinc/62/53/91/597625391.db2.gz QQCJQMLVDZSOAL-PCNQAENASA-N -1 0 347.411 2.708 20 30 EFEDRM Cc1cccc(C(C)C)c1NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821106875 597625580 /nfs/dbraw/zinc/62/55/80/597625580.db2.gz BBADDPGABQNVDL-SFHVURJKSA-N -1 0 346.383 2.605 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000819821516 597635869 /nfs/dbraw/zinc/63/58/69/597635869.db2.gz HYRKXSHZDUPRJL-KRWDZBQOSA-N -1 0 345.786 2.711 20 30 EFEDRM CC(C)c1csc([C@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)n1 ZINC000820061571 597650285 /nfs/dbraw/zinc/65/02/85/597650285.db2.gz KUIQVGJBGGGYLN-YVEFUNNKSA-N -1 0 349.456 2.977 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000819874379 597658858 /nfs/dbraw/zinc/65/88/58/597658858.db2.gz KOJDBEVOKGBJHH-LBPRGKRZSA-N -1 0 339.351 2.997 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000819875422 597660201 /nfs/dbraw/zinc/66/02/01/597660201.db2.gz WPESLPRLFUODSY-STQMWFEESA-N -1 0 331.372 2.696 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000820479802 598148681 /nfs/dbraw/zinc/14/86/81/598148681.db2.gz BLUDJYRCULKGFI-MRXNPFEDSA-N -1 0 336.347 2.908 20 30 EFEDRM O=C([O-])c1cccc(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000814738558 598201107 /nfs/dbraw/zinc/20/11/07/598201107.db2.gz DMFLZGOHWWAANE-UHFFFAOYSA-N -1 0 330.394 2.876 20 30 EFEDRM Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(Br)c1 ZINC000821088463 598221983 /nfs/dbraw/zinc/22/19/83/598221983.db2.gz USVPPKFVVNOECQ-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Br ZINC000820115876 598222517 /nfs/dbraw/zinc/22/25/17/598222517.db2.gz ZYKIOYUUGQAYFX-XPTSAGLGSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Br)c1 ZINC000820115472 598223369 /nfs/dbraw/zinc/22/33/69/598223369.db2.gz WTLXYUZOYLVMCS-YMTOWFKASA-N -1 0 339.189 2.631 20 30 EFEDRM Cc1ccc(Br)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821058448 598224334 /nfs/dbraw/zinc/22/43/34/598224334.db2.gz QXEXVGQIGMFRHE-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM CN(CCCOc1ccc(Cl)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820592183 598224827 /nfs/dbraw/zinc/22/48/27/598224827.db2.gz PJVHSKQWAPDGLJ-INIZCTEOSA-N -1 0 338.791 2.572 20 30 EFEDRM Cc1nc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)oc1C ZINC000821152577 598224851 /nfs/dbraw/zinc/22/48/51/598224851.db2.gz GRCWRYHVGPYVER-QGZVFWFLSA-N -1 0 327.340 2.902 20 30 EFEDRM Cc1cc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)c(C)o1 ZINC000820949389 598225133 /nfs/dbraw/zinc/22/51/33/598225133.db2.gz VMCZCZGWHUSNMU-HNNXBMFYSA-N -1 0 333.369 2.963 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000819835759 598225190 /nfs/dbraw/zinc/22/51/90/598225190.db2.gz XNEJDYZLMLGCBG-HNNXBMFYSA-N -1 0 342.317 2.759 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000819856500 598225249 /nfs/dbraw/zinc/22/52/49/598225249.db2.gz IZQYGHKZWIIFPG-ZDUSSCGKSA-N -1 0 341.245 2.790 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000819857186 598225255 /nfs/dbraw/zinc/22/52/55/598225255.db2.gz UHCSJRZBKGYFCH-FZKQIMNGSA-N -1 0 346.383 2.578 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000819848238 598225267 /nfs/dbraw/zinc/22/52/67/598225267.db2.gz RPLJJYQEWRRJFU-AWEZNQCLSA-N -1 0 337.788 2.570 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000819856723 598225730 /nfs/dbraw/zinc/22/57/30/598225730.db2.gz MNJRDDQTDCLNIK-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM CC(C)c1noc(-c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000820062015 598226270 /nfs/dbraw/zinc/22/62/70/598226270.db2.gz VQNPGUQECDCLFA-QGZVFWFLSA-N -1 0 342.355 2.803 20 30 EFEDRM CC(C)(C)OCc1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000819927457 598226350 /nfs/dbraw/zinc/22/63/50/598226350.db2.gz IUXYVJVCQQXITK-GOSISDBHSA-N -1 0 332.400 2.622 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000819865122 598226699 /nfs/dbraw/zinc/22/66/99/598226699.db2.gz HVJZSUZKGSNWFE-HNNXBMFYSA-N -1 0 336.417 2.604 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000819811896 598226756 /nfs/dbraw/zinc/22/67/56/598226756.db2.gz WPEGUMGUIMOBFX-QGZVFWFLSA-N -1 0 336.338 2.675 20 30 EFEDRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821088208 598227555 /nfs/dbraw/zinc/22/75/55/598227555.db2.gz QOWFIBXROREJAA-GOSISDBHSA-N -1 0 345.399 2.923 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000819834305 598227636 /nfs/dbraw/zinc/22/76/36/598227636.db2.gz MYECOAMBGYRWPZ-VQIMIIECSA-N -1 0 344.411 2.591 20 30 EFEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000820160951 598227667 /nfs/dbraw/zinc/22/76/67/598227667.db2.gz KULZHEKCYKGTDZ-VFZGTOFNSA-N -1 0 327.283 2.897 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(F)c1 ZINC000819847390 598228608 /nfs/dbraw/zinc/22/86/08/598228608.db2.gz LTACIAVCKRIKAA-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000820278335 598229239 /nfs/dbraw/zinc/22/92/39/598229239.db2.gz MRSQYSFURQOFHJ-JVXZTZIISA-N -1 0 349.334 2.734 20 30 EFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000820115404 598229430 /nfs/dbraw/zinc/22/94/30/598229430.db2.gz VTEJQHYNCVOLNL-BFUOFWGJSA-N -1 0 337.379 2.930 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000820211947 598229769 /nfs/dbraw/zinc/22/97/69/598229769.db2.gz ORPHXRKIOBRQCH-OALUTQOASA-N -1 0 328.412 2.862 20 30 EFEDRM CCc1cc(Br)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820474099 598230829 /nfs/dbraw/zinc/23/08/29/598230829.db2.gz KUDHXJGSJGHSKX-CQSZACIVSA-N -1 0 339.189 2.955 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000819856607 598230890 /nfs/dbraw/zinc/23/08/90/598230890.db2.gz KVGYKAZTPAVEPJ-IBGZPJMESA-N -1 0 348.362 2.969 20 30 EFEDRM CN(CC#N)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000737386585 599701278 /nfs/dbraw/zinc/70/12/78/599701278.db2.gz KRGFGQYHFICVHT-UHFFFAOYSA-N -1 0 330.365 2.866 20 30 EFEDRM CCOc1ccc(C[C@H](CNc2ccc(C#N)cn2)C(=O)[O-])cc1 ZINC000737204960 599707554 /nfs/dbraw/zinc/70/75/54/599707554.db2.gz FTIAUGHEJSROJN-OAHLLOKOSA-N -1 0 325.368 2.707 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000739117712 599717712 /nfs/dbraw/zinc/71/77/12/599717712.db2.gz IENCVTJLCBGOHN-UHFFFAOYSA-N -1 0 342.376 2.834 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1OC ZINC000736114081 599719347 /nfs/dbraw/zinc/71/93/47/599719347.db2.gz MDYFDYOTYRIDMC-UHFFFAOYSA-N -1 0 343.335 2.916 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000737908653 599729133 /nfs/dbraw/zinc/72/91/33/599729133.db2.gz GDRFRVHFFOJNJQ-RWMBFGLXSA-N -1 0 342.376 2.716 20 30 EFEDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2ccccc2n1CC#N ZINC000736432808 599736813 /nfs/dbraw/zinc/73/68/13/599736813.db2.gz OOPQLQRBKXELJV-UHFFFAOYSA-N -1 0 327.384 2.738 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCSCC(=O)[O-] ZINC000736432129 599752337 /nfs/dbraw/zinc/75/23/37/599752337.db2.gz CYCUVLXQPUXYHW-UHFFFAOYSA-N -1 0 334.441 2.751 20 30 EFEDRM C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000736605615 599773268 /nfs/dbraw/zinc/77/32/68/599773268.db2.gz LXKUHHNQPBHHOK-ZDUSSCGKSA-N -1 0 338.363 2.588 20 30 EFEDRM C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000736605324 599781362 /nfs/dbraw/zinc/78/13/62/599781362.db2.gz AOYOXSJKYPXFFD-CYBMUJFWSA-N -1 0 338.363 2.588 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736305219 599803934 /nfs/dbraw/zinc/80/39/34/599803934.db2.gz DWTOREXWQPMVAN-UHFFFAOYSA-N -1 0 341.367 2.830 20 30 EFEDRM N#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739101812 599831562 /nfs/dbraw/zinc/83/15/62/599831562.db2.gz LYGAUTWNQWOWJH-UHFFFAOYSA-N -1 0 330.290 2.563 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000738432997 599835858 /nfs/dbraw/zinc/83/58/58/599835858.db2.gz ULAQLDCKGKVAKO-KRWDZBQOSA-N -1 0 336.347 2.831 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000739122450 599839385 /nfs/dbraw/zinc/83/93/85/599839385.db2.gz FYRSBOBECSBCLB-QGZVFWFLSA-N -1 0 343.427 2.678 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000739122179 599839445 /nfs/dbraw/zinc/83/94/45/599839445.db2.gz AAVHROGXDNTCDS-SFHVURJKSA-N -1 0 349.390 2.793 20 30 EFEDRM N#CCn1c(C(=O)Nc2ncc(C(=O)[O-])s2)cc2ccccc21 ZINC000739092776 599840863 /nfs/dbraw/zinc/84/08/63/599840863.db2.gz JSIWJCKEJDZACF-UHFFFAOYSA-N -1 0 326.337 2.572 20 30 EFEDRM C=C1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000736096701 599856265 /nfs/dbraw/zinc/85/62/65/599856265.db2.gz IZLBYNFFDCKYFD-UHFFFAOYSA-N -1 0 334.441 2.916 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)[O-] ZINC000736095023 599867640 /nfs/dbraw/zinc/86/76/40/599867640.db2.gz FBJNLGBUZXVCID-LBPRGKRZSA-N -1 0 334.372 2.746 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000738326321 599868589 /nfs/dbraw/zinc/86/85/89/599868589.db2.gz KSGOIQNUHCRBFG-KRWDZBQOSA-N -1 0 339.395 2.805 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000739123786 599883778 /nfs/dbraw/zinc/88/37/78/599883778.db2.gz VGVUZMSDQQYCBQ-OAHLLOKOSA-N -1 0 340.335 2.562 20 30 EFEDRM Cc1oc(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000738968003 599887826 /nfs/dbraw/zinc/88/78/26/599887826.db2.gz VLRQLVSHCWCPEF-UHFFFAOYSA-N -1 0 331.303 2.961 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000738435191 599898892 /nfs/dbraw/zinc/89/88/92/599898892.db2.gz VYJCOLNBIQHSQN-INIZCTEOSA-N -1 0 340.404 2.983 20 30 EFEDRM N#Cc1ccc(OCCCOc2ccc(C(=O)[O-])cc2C=O)cc1 ZINC000739129063 599909713 /nfs/dbraw/zinc/90/97/13/599909713.db2.gz QVHLYRFTGXWWAI-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000737204799 599917213 /nfs/dbraw/zinc/91/72/13/599917213.db2.gz XQFNMVASFRZWDG-UHFFFAOYSA-N -1 0 339.351 2.739 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000737202007 599917217 /nfs/dbraw/zinc/91/72/17/599917217.db2.gz DLGKXZYFTWCFSF-UHFFFAOYSA-N -1 0 339.351 2.739 20 30 EFEDRM C[C@@H](CN(C(=O)CSCc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000237439893 599917577 /nfs/dbraw/zinc/91/75/77/599917577.db2.gz PYQDFJPPEFUXRX-LBPRGKRZSA-N -1 0 332.425 2.503 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000739091881 599931662 /nfs/dbraw/zinc/93/16/62/599931662.db2.gz NZRHTMXQEUEJNO-INIZCTEOSA-N -1 0 338.363 2.925 20 30 EFEDRM C=CCOc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000262248890 599932046 /nfs/dbraw/zinc/93/20/46/599932046.db2.gz VFYBAXZZSOJQDU-GFCCVEGCSA-N -1 0 333.384 2.585 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(C#N)c(F)c1 ZINC000738528581 599969350 /nfs/dbraw/zinc/96/93/50/599969350.db2.gz QAHSLEIUJDAJIH-UHFFFAOYSA-N -1 0 328.299 2.722 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(O[C@H](C)C#N)cc2)NC(=S)N1 ZINC000736975724 599985648 /nfs/dbraw/zinc/98/56/48/599985648.db2.gz VGMVCOZENLGJIZ-BMIGLBTASA-N -1 0 345.424 2.635 20 30 EFEDRM N#Cc1ccccc1OCCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000739146501 599996921 /nfs/dbraw/zinc/99/69/21/599996921.db2.gz GFJIUKBZBQFEFJ-UHFFFAOYSA-N -1 0 326.308 2.884 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1cc([N+](=O)[O-])ccc1C ZINC000738663876 600006120 /nfs/dbraw/zinc/00/61/20/600006120.db2.gz BPFFZKQIUPESSN-UHFFFAOYSA-N -1 0 345.359 2.637 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)cc1 ZINC000739819236 600025003 /nfs/dbraw/zinc/02/50/03/600025003.db2.gz JYHRXRLWANQWFM-DHZHZOJOSA-N -1 0 349.346 2.627 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737846438 600034213 /nfs/dbraw/zinc/03/42/13/600034213.db2.gz ZNCMWTXPBOXVSR-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM N#CCn1c(C(=O)NC2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC000738425522 600050220 /nfs/dbraw/zinc/05/02/20/600050220.db2.gz NCBKWGIILGOKJK-UHFFFAOYSA-N -1 0 325.368 2.538 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000738958152 600052968 /nfs/dbraw/zinc/05/29/68/600052968.db2.gz RXZMJTJMAYYHIB-UHFFFAOYSA-N -1 0 341.367 2.624 20 30 EFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738473895 600070710 /nfs/dbraw/zinc/07/07/10/600070710.db2.gz FDRXCBJJQVNYFZ-UONOGXRCSA-N -1 0 337.335 2.713 20 30 EFEDRM C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)[O-])cc1Cl ZINC000736114567 600091431 /nfs/dbraw/zinc/09/14/31/600091431.db2.gz XDUSAHNIZYDPPN-ZDUSSCGKSA-N -1 0 338.816 2.782 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000738346067 600106107 /nfs/dbraw/zinc/10/61/07/600106107.db2.gz UXJKWAOYTACVGZ-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM N#Cc1ccc(OCCCN2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000739128758 600127715 /nfs/dbraw/zinc/12/77/15/600127715.db2.gz JXGZLMYCUXXJTE-SFHVURJKSA-N -1 0 338.363 2.679 20 30 EFEDRM C#CCn1c(-c2cc(C(=O)[O-])co2)csc1=Nc1cnn(CC)c1 ZINC000736088617 600144912 /nfs/dbraw/zinc/14/49/12/600144912.db2.gz XLNFJZFTJJBEAC-UHFFFAOYSA-N -1 0 342.380 2.590 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C2/COc3ccc(F)cc32)cc1 ZINC000739819589 600146819 /nfs/dbraw/zinc/14/68/19/600146819.db2.gz UOULNUFOQBSFKX-GHXNOFRVSA-N -1 0 328.295 2.948 20 30 EFEDRM COc1cccc(/C=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1O ZINC000738095869 600153668 /nfs/dbraw/zinc/15/36/68/600153668.db2.gz KTFOGJDXSIZIDP-PPAWOMOGSA-N -1 0 338.363 2.997 20 30 EFEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000736307206 600180288 /nfs/dbraw/zinc/18/02/88/600180288.db2.gz QWSJHFVASJHGRZ-UHFFFAOYSA-N -1 0 343.412 2.926 20 30 EFEDRM CCCCCNC(=S)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000736990515 600181129 /nfs/dbraw/zinc/18/11/29/600181129.db2.gz ONZYJDBRCSGRHK-UHFFFAOYSA-N -1 0 332.429 2.854 20 30 EFEDRM C=CCn1c2ccccc2nc1SCc1noc(CCC(=O)[O-])n1 ZINC000736117443 600183187 /nfs/dbraw/zinc/18/31/87/600183187.db2.gz KBUPLONMTYDPCS-UHFFFAOYSA-N -1 0 344.396 2.915 20 30 EFEDRM N#Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000739118850 600191369 /nfs/dbraw/zinc/19/13/69/600191369.db2.gz VUKDKCTVHZXLPV-UHFFFAOYSA-N -1 0 339.307 2.736 20 30 EFEDRM N#CCOc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000739088772 600192455 /nfs/dbraw/zinc/19/24/55/600192455.db2.gz WKJNINIPZREYBD-CQSZACIVSA-N -1 0 344.392 2.525 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000739140299 600193324 /nfs/dbraw/zinc/19/33/24/600193324.db2.gz RPTROOYIUKYVNS-UHFFFAOYSA-N -1 0 330.384 2.621 20 30 EFEDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000736455234 600193769 /nfs/dbraw/zinc/19/37/69/600193769.db2.gz WOHGRUVOGCIRMU-UHFFFAOYSA-N -1 0 339.351 2.681 20 30 EFEDRM N#Cc1ccc(CNC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739117702 600207206 /nfs/dbraw/zinc/20/72/06/600207206.db2.gz HTFGVRVOGQQILA-UHFFFAOYSA-N -1 0 343.770 2.638 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736113955 600207428 /nfs/dbraw/zinc/20/74/28/600207428.db2.gz HRXNCRGGIWFKTK-UHFFFAOYSA-N -1 0 341.363 2.645 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736108667 600223193 /nfs/dbraw/zinc/22/31/93/600223193.db2.gz MKHSNFBKIOCGFV-UHFFFAOYSA-N -1 0 345.420 2.903 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cc(C)ccc1F ZINC000736127665 600253542 /nfs/dbraw/zinc/25/35/42/600253542.db2.gz WQCHEVJZKMUGNQ-OAHLLOKOSA-N -1 0 346.358 2.538 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000736849612 600257724 /nfs/dbraw/zinc/25/77/24/600257724.db2.gz WBVMZVDGPKMXQM-INIZCTEOSA-N -1 0 338.363 2.996 20 30 EFEDRM N#CCCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000739072659 600261998 /nfs/dbraw/zinc/26/19/98/600261998.db2.gz LCGRJSNJUGBBKJ-UHFFFAOYSA-N -1 0 342.326 2.850 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])c1 ZINC000736849241 600262949 /nfs/dbraw/zinc/26/29/49/600262949.db2.gz QIJJTDTZMWRGIB-ZBFHGGJFSA-N -1 0 347.415 2.666 20 30 EFEDRM C=CC[C@@H](C)NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736095901 600266494 /nfs/dbraw/zinc/26/64/94/600266494.db2.gz CKCXELVABJYCIF-ZIAGYGMSSA-N -1 0 331.416 2.570 20 30 EFEDRM O=C([O-])N1C/C(=C\c2nccs2)C(=O)/C(=C\c2nccs2)C1 ZINC000740308047 600274462 /nfs/dbraw/zinc/27/44/62/600274462.db2.gz SWICWAAZJWXITH-VTBWALSUSA-N -1 0 333.394 2.629 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=S ZINC000736118174 600278868 /nfs/dbraw/zinc/27/88/68/600278868.db2.gz RGGRNHBXXWOYBA-CYBMUJFWSA-N -1 0 348.472 2.622 20 30 EFEDRM CN(Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737478215 600286946 /nfs/dbraw/zinc/28/69/46/600286946.db2.gz FXYWRLJGGLTQEM-UHFFFAOYSA-N -1 0 339.351 2.686 20 30 EFEDRM N#Cc1ccc(CN(Cc2noc(CCCC(=O)[O-])n2)C2CC2)cc1 ZINC000739117334 600294259 /nfs/dbraw/zinc/29/42/59/600294259.db2.gz LHOOEXLJKOJDKP-UHFFFAOYSA-N -1 0 340.383 2.513 20 30 EFEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(C(=O)[O-])n1 ZINC000739087435 600332978 /nfs/dbraw/zinc/33/29/78/600332978.db2.gz ISSUKEOYEHKMQD-UHFFFAOYSA-N -1 0 346.726 2.693 20 30 EFEDRM C=CCOc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736113741 600337641 /nfs/dbraw/zinc/33/76/41/600337641.db2.gz CROJXLZXPFRNOJ-HNNXBMFYSA-N -1 0 330.384 2.970 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737919768 600338741 /nfs/dbraw/zinc/33/87/41/600338741.db2.gz FFUUJUJZJHTEAQ-UHFFFAOYSA-N -1 0 340.339 2.978 20 30 EFEDRM CN(Cc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000737480373 600345170 /nfs/dbraw/zinc/34/51/70/600345170.db2.gz LYTOYEPHTZNSMU-UHFFFAOYSA-N -1 0 338.367 2.990 20 30 EFEDRM N#Cc1ccc(F)c(CSCc2noc(CCCC(=O)[O-])n2)c1 ZINC000739117141 600354300 /nfs/dbraw/zinc/35/43/00/600354300.db2.gz AGUAVXHWFDWZCI-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000736427275 600359458 /nfs/dbraw/zinc/35/94/58/600359458.db2.gz RRGOYYRBSNLXQC-IUODEOHRSA-N -1 0 334.372 2.551 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739099383 600389852 /nfs/dbraw/zinc/38/98/52/600389852.db2.gz WLYNPTAABGCTFU-ZDUSSCGKSA-N -1 0 341.323 2.527 20 30 EFEDRM N#Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)c(F)c1 ZINC000738432450 600399613 /nfs/dbraw/zinc/39/96/13/600399613.db2.gz MAONRAXGOYNZQM-GOSISDBHSA-N -1 0 339.370 2.645 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000738320886 600401916 /nfs/dbraw/zinc/40/19/16/600401916.db2.gz VCAFYYVWMVAWCY-AWEZNQCLSA-N -1 0 339.395 2.765 20 30 EFEDRM C/C(=C/C(=O)N(CC#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736116945 600404788 /nfs/dbraw/zinc/40/47/88/600404788.db2.gz GOKMNDQJECABKN-NTMALXAHSA-N -1 0 326.274 2.545 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000739077053 600408220 /nfs/dbraw/zinc/40/82/20/600408220.db2.gz GSPUFOUNKHNUBY-UHFFFAOYSA-N -1 0 326.805 2.649 20 30 EFEDRM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(CC#N)CC(=O)[O-] ZINC000738828917 600410004 /nfs/dbraw/zinc/41/00/04/600410004.db2.gz HEMFFNKOIXOSIC-UHFFFAOYSA-N -1 0 349.799 2.822 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000739118589 600432321 /nfs/dbraw/zinc/43/23/21/600432321.db2.gz VEZDYHYUGDAKHQ-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000736544222 600440173 /nfs/dbraw/zinc/44/01/73/600440173.db2.gz BPZMMQKQEHHSQB-JSGCOSHPSA-N -1 0 347.440 2.568 20 30 EFEDRM CC(C)(NC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000736339264 600467722 /nfs/dbraw/zinc/46/77/22/600467722.db2.gz PCJTYAJSZZSPMA-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000736605939 600494098 /nfs/dbraw/zinc/49/40/98/600494098.db2.gz VZNJDXVHGDMECN-ZDUSSCGKSA-N -1 0 338.363 2.588 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1cc(C#N)ccc1C ZINC000738539916 600517560 /nfs/dbraw/zinc/51/75/60/600517560.db2.gz IRTLQSFPXHWBLU-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000739139649 600525366 /nfs/dbraw/zinc/52/53/66/600525366.db2.gz JBRRASBEZJUVOJ-UHFFFAOYSA-N -1 0 346.346 2.759 20 30 EFEDRM C[C@](C#N)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000736201543 600551828 /nfs/dbraw/zinc/55/18/28/600551828.db2.gz HSFJUALBUQAPCJ-QGZVFWFLSA-N -1 0 345.355 2.885 20 30 EFEDRM N#Cc1ccc(Oc2cccc(NC(=O)NCCC(=O)[O-])c2)cc1 ZINC000739130248 600552241 /nfs/dbraw/zinc/55/22/41/600552241.db2.gz OQPMEVZRLFIPPO-UHFFFAOYSA-N -1 0 325.324 2.947 20 30 EFEDRM Cc1csc([C@@H]2CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)n1 ZINC000738817124 600567881 /nfs/dbraw/zinc/56/78/81/600567881.db2.gz UCVVLKZOVYWYLE-LSDHHAIUSA-N -1 0 343.408 2.522 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C#N)nc1 ZINC000736115185 600568556 /nfs/dbraw/zinc/56/85/56/600568556.db2.gz XJFNADZGSAFWSA-UHFFFAOYSA-N -1 0 338.319 2.608 20 30 EFEDRM CC(C)c1ncc2c(n1)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000736525074 600569577 /nfs/dbraw/zinc/56/95/77/600569577.db2.gz SNUJBCVDPIMRPH-QGZVFWFLSA-N -1 0 336.395 2.656 20 30 EFEDRM CC(C)c1ncc2c(n1)CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000736525063 600569835 /nfs/dbraw/zinc/56/98/35/600569835.db2.gz SNUJBCVDPIMRPH-KRWDZBQOSA-N -1 0 336.395 2.656 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000739102005 600571089 /nfs/dbraw/zinc/57/10/89/600571089.db2.gz MXHANSBMYYLZIR-UHFFFAOYSA-N -1 0 335.241 2.923 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736699909 600590377 /nfs/dbraw/zinc/59/03/77/600590377.db2.gz GWTRRQPVCSNCDB-DYVFJYSZSA-N -1 0 338.363 2.610 20 30 EFEDRM COCCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737821632 600594624 /nfs/dbraw/zinc/59/46/24/600594624.db2.gz PRUVVSGIVMYYNJ-QGZVFWFLSA-N -1 0 326.352 2.821 20 30 EFEDRM Cc1nc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc2ccccc12 ZINC000738857784 600598056 /nfs/dbraw/zinc/59/80/56/600598056.db2.gz RGKHOLFGBQYZSG-GOSISDBHSA-N -1 0 332.363 2.725 20 30 EFEDRM COC(=O)NCc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737637931 600599498 /nfs/dbraw/zinc/59/94/98/600599498.db2.gz MDMNRPKZHBBVOZ-MRXNPFEDSA-N -1 0 339.351 2.652 20 30 EFEDRM C[C@H](CS[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(=O)[O-] ZINC000736760310 600600012 /nfs/dbraw/zinc/60/00/12/600600012.db2.gz CBBIXIXPIYPXBZ-WULFKBJJSA-N -1 0 326.462 2.760 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736703418 600603445 /nfs/dbraw/zinc/60/34/45/600603445.db2.gz DWOPYGAODPEQBI-WBMJQRKESA-N -1 0 325.320 2.695 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000739117615 600604117 /nfs/dbraw/zinc/60/41/17/600604117.db2.gz HCKVCAQUFOCNAB-UHFFFAOYSA-N -1 0 340.404 2.909 20 30 EFEDRM COc1cccc(OC)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738109980 600604796 /nfs/dbraw/zinc/60/47/96/600604796.db2.gz XSYYUYHFVKQJDM-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737948872 600605425 /nfs/dbraw/zinc/60/54/25/600605425.db2.gz PDKLJJQFQZDOLC-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-n3cccn3)cc2)C(=O)[O-])cc1 ZINC000739114901 600606393 /nfs/dbraw/zinc/60/63/93/600606393.db2.gz LJJSBFHFJNAGRT-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1C ZINC000737864058 600606604 /nfs/dbraw/zinc/60/66/04/600606604.db2.gz RMWVDIHGRYPDPL-INIZCTEOSA-N -1 0 325.320 2.858 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2Cc3ccccc3S2)C(=O)[O-])cc1 ZINC000739109419 600607073 /nfs/dbraw/zinc/60/70/73/600607073.db2.gz KXUOQNHQALQEGZ-HOTGVXAUSA-N -1 0 339.372 2.944 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cnn(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739118284 600607347 /nfs/dbraw/zinc/60/73/47/600607347.db2.gz QDPLXQVBBVWTMF-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702941 600607515 /nfs/dbraw/zinc/60/75/15/600607515.db2.gz HNJOIVJYWJVLSQ-BZNIZROVSA-N -1 0 343.310 2.834 20 30 EFEDRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736492209 600611761 /nfs/dbraw/zinc/61/17/61/600611761.db2.gz WVCMFGHHSWPGLD-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000738289289 600611766 /nfs/dbraw/zinc/61/17/66/600611766.db2.gz GHJXFEZODVJCMC-HNNXBMFYSA-N -1 0 341.367 2.801 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])cc1 ZINC000739113776 600611999 /nfs/dbraw/zinc/61/19/99/600611999.db2.gz BGNUXMLTNUGPGW-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000739110305 600612775 /nfs/dbraw/zinc/61/27/75/600612775.db2.gz PMIGEUXETGHGKM-KRWDZBQOSA-N -1 0 325.320 2.566 20 30 EFEDRM CCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737210857 600613367 /nfs/dbraw/zinc/61/33/67/600613367.db2.gz MCMTWAKFJJHQHH-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCOCc2ccccc2)C(=O)[O-])cc1 ZINC000739111407 600614467 /nfs/dbraw/zinc/61/44/67/600614467.db2.gz VIBKGRUPLVRCHS-SFHVURJKSA-N -1 0 339.347 2.834 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(N)ccc2Cl)C(=O)[O-])cc1 ZINC000739113529 600615128 /nfs/dbraw/zinc/61/51/28/600615128.db2.gz AHPXKDZEQDDJAE-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(N)ccc2Cl)C(=O)[O-])cc1 ZINC000739113528 600615135 /nfs/dbraw/zinc/61/51/35/600615135.db2.gz AHPXKDZEQDDJAE-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736605343 600616573 /nfs/dbraw/zinc/61/65/73/600616573.db2.gz BTNBZFKTTOMGDB-ZDUSSCGKSA-N -1 0 338.363 2.588 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736785200 600617586 /nfs/dbraw/zinc/61/75/86/600617586.db2.gz OAOLEKIJMAPOGA-ISTRZQFTSA-N -1 0 331.368 2.822 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccncc1 ZINC000736096352 600621292 /nfs/dbraw/zinc/62/12/92/600621292.db2.gz LOBGYLDGIKDRCF-MRXNPFEDSA-N -1 0 326.352 2.592 20 30 EFEDRM C#CCSCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000736088639 600625526 /nfs/dbraw/zinc/62/55/26/600625526.db2.gz YDXAOTSZPKKMRE-UHFFFAOYSA-N -1 0 336.413 2.660 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)cs1 ZINC000822921959 607460102 /nfs/dbraw/zinc/46/01/02/607460102.db2.gz BHNNCADCIBZIRC-ONEGZZNKSA-N -1 0 344.327 2.662 20 30 EFEDRM C#CCOc1cc(F)ccc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000736077015 600679484 /nfs/dbraw/zinc/67/94/84/600679484.db2.gz WTRBVZBEAJYSPY-UHFFFAOYSA-N -1 0 342.326 2.587 20 30 EFEDRM C#Cc1cccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000825636511 600690410 /nfs/dbraw/zinc/69/04/10/600690410.db2.gz MAUIHUIFOFUWFU-CQSZACIVSA-N -1 0 326.377 2.645 20 30 EFEDRM N#CCc1ccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000833069394 600691468 /nfs/dbraw/zinc/69/14/68/600691468.db2.gz WHGNFCQZDGJVBG-CQSZACIVSA-N -1 0 341.392 2.730 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000825631960 600691911 /nfs/dbraw/zinc/69/19/11/600691911.db2.gz OCDMDQHGALZBNJ-INIZCTEOSA-N -1 0 328.295 2.820 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000825631642 600691948 /nfs/dbraw/zinc/69/19/48/600691948.db2.gz HHGMHJSMAIGHOI-MRXNPFEDSA-N -1 0 328.295 2.820 20 30 EFEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000832852416 600708856 /nfs/dbraw/zinc/70/88/56/600708856.db2.gz XSBBXPLRKZYVTG-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccncc1 ZINC000825664831 600750335 /nfs/dbraw/zinc/75/03/35/600750335.db2.gz MXQIUKWUZLFIEN-INIZCTEOSA-N -1 0 346.408 2.684 20 30 EFEDRM Cc1ncc(CO)c(/C=N\[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1O ZINC000833008761 600763726 /nfs/dbraw/zinc/76/37/26/600763726.db2.gz UKXTXGCRJRXZLR-ADFHHPQOSA-N -1 0 348.786 2.876 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC000832918798 600777472 /nfs/dbraw/zinc/77/74/72/600777472.db2.gz ROUSELCTPZCIIZ-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)cc1C(=O)[O-] ZINC000832954303 600780248 /nfs/dbraw/zinc/78/02/48/600780248.db2.gz XOSNTWBUOCVVNU-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1CC1CC1 ZINC000829245595 600783806 /nfs/dbraw/zinc/78/38/06/600783806.db2.gz LHPFGOJVUURZDN-OAHLLOKOSA-N -1 0 329.356 2.766 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000825699420 600794199 /nfs/dbraw/zinc/79/41/99/600794199.db2.gz ZVBLIUZNFRDZPN-UHFFFAOYSA-N -1 0 340.378 2.779 20 30 EFEDRM N#Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000833069692 600814372 /nfs/dbraw/zinc/81/43/72/600814372.db2.gz LVAJHFHRWRHGHA-UHFFFAOYSA-N -1 0 333.347 2.717 20 30 EFEDRM N#Cc1cccc(-c2nnc(CN(CC(=O)[O-])Cc3ccccc3)o2)c1 ZINC000833074230 600821522 /nfs/dbraw/zinc/82/15/22/600821522.db2.gz SCLLGFSNUHALNX-UHFFFAOYSA-N -1 0 348.362 2.695 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000736076732 600828170 /nfs/dbraw/zinc/82/81/70/600828170.db2.gz UAYMXAGDFPHCJM-UHFFFAOYSA-N -1 0 337.375 2.816 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(OC)c(Cl)c2)C(C(=O)[O-])=C1C ZINC000736106338 600884842 /nfs/dbraw/zinc/88/48/42/600884842.db2.gz ADKGJQQSVDGELL-AWEZNQCLSA-N -1 0 336.775 2.960 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000736088682 600893081 /nfs/dbraw/zinc/89/30/81/600893081.db2.gz ALWQBPXKDXEKPB-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832842816 600903206 /nfs/dbraw/zinc/90/32/06/600903206.db2.gz KLSYTTYTCLPXCM-UHFFFAOYSA-N -1 0 345.380 2.607 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825681935 600914017 /nfs/dbraw/zinc/91/40/17/600914017.db2.gz MQXSIOMYXFHRQL-IAGOWNOFSA-N -1 0 326.396 2.964 20 30 EFEDRM CC(C)C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)C(=O)[O-] ZINC000736404559 600921328 /nfs/dbraw/zinc/92/13/28/600921328.db2.gz QSXNCTJSUGVZAD-CQSZACIVSA-N -1 0 327.384 2.642 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736077050 600931815 /nfs/dbraw/zinc/93/18/15/600931815.db2.gz XHQRHGSTHHXYJK-UHFFFAOYSA-N -1 0 330.315 2.733 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnnn2C2CCCC2)C(=O)[O-])cc1 ZINC000739119320 600937711 /nfs/dbraw/zinc/93/77/11/600937711.db2.gz ZDIVOGJYIHPMBE-CYBMUJFWSA-N -1 0 329.385 2.578 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnnn2C2CCCCC2)C(=O)[O-])cc1 ZINC000739119329 600937714 /nfs/dbraw/zinc/93/77/14/600937714.db2.gz ZJDHIUCKXBRZET-CQSZACIVSA-N -1 0 343.412 2.968 20 30 EFEDRM C[C@@H](C#N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000825967424 600961998 /nfs/dbraw/zinc/96/19/98/600961998.db2.gz WNWWDSGMRZHVJG-VIFPVBQESA-N -1 0 329.183 2.609 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000825636117 600989800 /nfs/dbraw/zinc/98/98/00/600989800.db2.gz CRLULLHWIPJUNF-GOSISDBHSA-N -1 0 340.354 2.503 20 30 EFEDRM CC(C)c1ccc([C@H](NC(=O)CN(CC#N)CC(=O)[O-])C(C)C)cc1 ZINC000827118714 601003765 /nfs/dbraw/zinc/00/37/65/601003765.db2.gz ZKSIOUMFLJXOHA-LJQANCHMSA-N -1 0 345.443 2.533 20 30 EFEDRM C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827682425 601017542 /nfs/dbraw/zinc/01/75/42/601017542.db2.gz XRCWYWPTIMHWLV-GFCCVEGCSA-N -1 0 339.351 2.904 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000739139986 601038457 /nfs/dbraw/zinc/03/84/57/601038457.db2.gz OHCDQBREQGOKQJ-YVMONPNESA-N -1 0 339.376 2.922 20 30 EFEDRM C#CCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825631367 601047014 /nfs/dbraw/zinc/04/70/14/601047014.db2.gz BYZPKFMGFAEJON-QGZVFWFLSA-N -1 0 338.363 2.689 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000825625829 601085549 /nfs/dbraw/zinc/08/55/49/601085549.db2.gz NZGSEWMQKUCRGP-UHFFFAOYSA-N -1 0 334.347 2.556 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000825625755 601085708 /nfs/dbraw/zinc/08/57/08/601085708.db2.gz MVFIEOCQJUNCDY-ZDUSSCGKSA-N -1 0 346.358 2.556 20 30 EFEDRM C=CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000825671002 601126399 /nfs/dbraw/zinc/12/63/99/601126399.db2.gz AHTYPKHTSJYDFD-HNNXBMFYSA-N -1 0 347.411 2.961 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827880029 601145509 /nfs/dbraw/zinc/14/55/09/601145509.db2.gz YVESXRSMCZARRC-GFCCVEGCSA-N -1 0 342.326 2.582 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000826031199 601168512 /nfs/dbraw/zinc/16/85/12/601168512.db2.gz HZFCMZGVAUCSDD-ACJLOTCBSA-N -1 0 338.363 2.515 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000825705547 601186155 /nfs/dbraw/zinc/18/61/55/601186155.db2.gz LSSYLFVKQRZMOA-HUUCEWRRSA-N -1 0 347.411 2.908 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000825705545 601186314 /nfs/dbraw/zinc/18/63/14/601186314.db2.gz LSSYLFVKQRZMOA-CABCVRRESA-N -1 0 347.411 2.908 20 30 EFEDRM CC(C)CCN(CCC#N)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000826849227 601219497 /nfs/dbraw/zinc/21/94/97/601219497.db2.gz ZYIBEXKVMCQXAZ-UHFFFAOYSA-N -1 0 331.416 2.609 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828858987 601220334 /nfs/dbraw/zinc/22/03/34/601220334.db2.gz KRGGCLAFNXYSCI-UHFFFAOYSA-N -1 0 342.417 2.627 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830253864 601236202 /nfs/dbraw/zinc/23/62/02/601236202.db2.gz OSIRVBPVNGPREM-IIAWOOMASA-N -1 0 342.395 2.787 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830253867 601236278 /nfs/dbraw/zinc/23/62/78/601236278.db2.gz OSIRVBPVNGPREM-SQWLQELKSA-N -1 0 342.395 2.787 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000827525751 601239840 /nfs/dbraw/zinc/23/98/40/601239840.db2.gz YMSBHGNZKWFLFK-VHDGCEQUSA-N -1 0 331.368 2.760 20 30 EFEDRM C=CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000162569607 601245943 /nfs/dbraw/zinc/24/59/43/601245943.db2.gz VFOUHVRTIXTZLU-SSDOTTSWSA-N -1 0 338.212 2.935 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000833040971 601250249 /nfs/dbraw/zinc/25/02/49/601250249.db2.gz UOANOAPJLOMGLH-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3ccc(F)c(C(=O)[O-])c3)C2=O)cc1 ZINC000833073587 601263903 /nfs/dbraw/zinc/26/39/03/601263903.db2.gz RHWYUTULNAKYQH-INIZCTEOSA-N -1 0 339.326 2.613 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1cccc(C#N)c1 ZINC000831977224 601276656 /nfs/dbraw/zinc/27/66/56/601276656.db2.gz RPIKJLOLEGTTGG-VURMDHGXSA-N -1 0 337.331 2.813 20 30 EFEDRM CCC1CCC(NC(=O)Cc2ccc(OCC#N)cc2)(C(=O)[O-])CC1 ZINC000829089864 601277237 /nfs/dbraw/zinc/27/72/37/601277237.db2.gz PEZVZTLITXRWRI-UHFFFAOYSA-N -1 0 344.411 2.671 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)s2)cc1 ZINC000832235431 601278743 /nfs/dbraw/zinc/27/87/43/601278743.db2.gz KIIUSJWEOSAYSE-CYBMUJFWSA-N -1 0 330.365 2.574 20 30 EFEDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)C#Cc1ccccc1 ZINC000833249167 601280416 /nfs/dbraw/zinc/28/04/16/601280416.db2.gz IBJKVGOHASYJLL-UHFFFAOYSA-N -1 0 327.767 2.805 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000833071601 601285758 /nfs/dbraw/zinc/28/57/58/601285758.db2.gz JTPZPSWQKKMDCH-UHFFFAOYSA-N -1 0 344.392 2.793 20 30 EFEDRM O=C([O-])CCCOc1ccc(CNC(=O)C#Cc2ccccc2)cc1 ZINC000833227600 601286952 /nfs/dbraw/zinc/28/69/52/601286952.db2.gz KALSXXBSGJISPK-UHFFFAOYSA-N -1 0 337.375 2.598 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000826032113 601296415 /nfs/dbraw/zinc/29/64/15/601296415.db2.gz YLXDVPFZTAAJMK-SCLBCKFNSA-N -1 0 338.363 2.515 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000826032115 601296427 /nfs/dbraw/zinc/29/64/27/601296427.db2.gz YLXDVPFZTAAJMK-UGSOOPFHSA-N -1 0 338.363 2.515 20 30 EFEDRM CC(=O)N1CCc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC000825846651 601298286 /nfs/dbraw/zinc/29/82/86/601298286.db2.gz BALUFJXVGZQPKU-GOSISDBHSA-N -1 0 335.363 2.705 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc(CN3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833074580 601299543 /nfs/dbraw/zinc/29/95/43/601299543.db2.gz BBBXFGYGOCEBRL-LJQANCHMSA-N -1 0 349.390 2.918 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(C(N)=O)c(Cl)c2)C(=O)[O-])c1 ZINC000833075287 601299865 /nfs/dbraw/zinc/29/98/65/601299865.db2.gz JTUVPFLKLZXVOD-CQSZACIVSA-N -1 0 329.743 2.548 20 30 EFEDRM COCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831785083 601302030 /nfs/dbraw/zinc/30/20/30/601302030.db2.gz ZORWCVWGRKGRKF-KRWDZBQOSA-N -1 0 326.352 2.821 20 30 EFEDRM COC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831210559 601302125 /nfs/dbraw/zinc/30/21/25/601302125.db2.gz RSSFETWYCREKIS-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM COC(=O)[C@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000831084863 601302127 /nfs/dbraw/zinc/30/21/27/601302127.db2.gz UGVYYHDYTLIVTE-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM CN(Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830859258 601311874 /nfs/dbraw/zinc/31/18/74/601311874.db2.gz CTXCCABNFLNSGT-INIZCTEOSA-N -1 0 325.324 2.724 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000833095404 601331088 /nfs/dbraw/zinc/33/10/88/601331088.db2.gz SOSKGKCRPKAVMZ-ZZXKWVIFSA-N -1 0 344.342 2.585 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)nnn1-c1ccc(F)cc1 ZINC000832848587 601331653 /nfs/dbraw/zinc/33/16/53/601331653.db2.gz IEGYGKBEAIGQSO-UITAMQMPSA-N -1 0 340.314 2.637 20 30 EFEDRM COc1cccc(OC)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832567613 601344072 /nfs/dbraw/zinc/34/40/72/601344072.db2.gz LDXDXXMPVWAYBG-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000832919091 601344500 /nfs/dbraw/zinc/34/45/00/601344500.db2.gz WTTZBBCSOMLKAH-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM COCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831813023 601344890 /nfs/dbraw/zinc/34/48/90/601344890.db2.gz JVHBPVASUSFSDX-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)ccc2O)C(=O)[O-])c1 ZINC000833076072 601345176 /nfs/dbraw/zinc/34/51/76/601345176.db2.gz IFJNRVYETRMVKK-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM COc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832287272 601345821 /nfs/dbraw/zinc/34/58/21/601345821.db2.gz LAVHPGPHNQYKPD-QGZVFWFLSA-N -1 0 343.310 2.618 20 30 EFEDRM CCn1c(C)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000830411113 601345874 /nfs/dbraw/zinc/34/58/74/601345874.db2.gz BLMDGUFGGUFRDO-MRXNPFEDSA-N -1 0 326.352 2.979 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccccc3)[nH]n2)C(=O)[O-])c1 ZINC000833076093 601346412 /nfs/dbraw/zinc/34/64/12/601346412.db2.gz ISYUDCAEMDMQRQ-KRWDZBQOSA-N -1 0 347.330 2.931 20 30 EFEDRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1N ZINC000832774171 601347675 /nfs/dbraw/zinc/34/76/75/601347675.db2.gz CVYHQHGIYLGRTK-HNNXBMFYSA-N -1 0 342.376 2.845 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)[O-])c1 ZINC000833075323 601347816 /nfs/dbraw/zinc/34/78/16/601347816.db2.gz KCPFJJPMADTJJP-QGZVFWFLSA-N -1 0 335.315 2.703 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccco3)[nH]n2)C(=O)[O-])c1 ZINC000833077401 601347996 /nfs/dbraw/zinc/34/79/96/601347996.db2.gz RKXBKCZNGQJJTB-OAHLLOKOSA-N -1 0 337.291 2.524 20 30 EFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000832854179 601349336 /nfs/dbraw/zinc/34/93/36/601349336.db2.gz UZPYRTZERBEMTL-HNNXBMFYSA-N -1 0 341.367 2.801 20 30 EFEDRM Cc1cc(C)n([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880523 601349379 /nfs/dbraw/zinc/34/93/79/601349379.db2.gz SHQHJEVLQHHXJB-CXAGYDPISA-N -1 0 341.367 2.692 20 30 EFEDRM Cc1ccc(F)c(N)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832935947 601350364 /nfs/dbraw/zinc/35/03/64/601350364.db2.gz RLBJMBPBXAEKGI-HNNXBMFYSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cn2ccc3ccccc32)C(=O)[O-])c1 ZINC000833077596 601350593 /nfs/dbraw/zinc/35/05/93/601350593.db2.gz XFFHYKNBFPUSEB-GOSISDBHSA-N -1 0 334.331 2.882 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832905466 601352074 /nfs/dbraw/zinc/35/20/74/601352074.db2.gz NKSVIUDDNGUPMQ-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM Cc1noc(C)c1[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020080 601352170 /nfs/dbraw/zinc/35/21/70/601352170.db2.gz SYESLPOPWZRLBN-RFAUZJTJSA-N -1 0 328.324 2.636 20 30 EFEDRM Cc1ncc(/C=C/C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000833008310 601353148 /nfs/dbraw/zinc/35/31/48/601353148.db2.gz UJHXMXIVGXSZPV-NFAHFFEMSA-N -1 0 328.349 2.706 20 30 EFEDRM Cc1nc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832998541 601354107 /nfs/dbraw/zinc/35/41/07/601354107.db2.gz ICNVFCHTWHBECM-OAHLLOKOSA-N -1 0 330.365 2.625 20 30 EFEDRM COc1cccc(F)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832557946 601354720 /nfs/dbraw/zinc/35/47/20/601354720.db2.gz DWPYEPLGSLEDBL-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832957421 601354841 /nfs/dbraw/zinc/35/48/41/601354841.db2.gz FYLKCJAHXZNWCI-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1 ZINC000832213780 601354911 /nfs/dbraw/zinc/35/49/11/601354911.db2.gz RPIVXSYVVSUTDG-INIZCTEOSA-N -1 0 325.320 2.858 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(F)cc(F)cc2F)C(=O)[O-])c1 ZINC000833077210 601355107 /nfs/dbraw/zinc/35/51/07/601355107.db2.gz NHDHCFIPDMVHKX-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM C=CCn1c2ccccc2n(CN2CC[C@](F)(C(=O)[O-])C2)c1=S ZINC000825705632 601371479 /nfs/dbraw/zinc/37/14/79/601371479.db2.gz POTXSJSYRBTKBJ-MRXNPFEDSA-N -1 0 335.404 2.814 20 30 EFEDRM N#Cc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)s1 ZINC000833071079 601381051 /nfs/dbraw/zinc/38/10/51/601381051.db2.gz WCWFEJOXROIBNJ-UHFFFAOYSA-N -1 0 327.321 2.947 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000826528316 601406710 /nfs/dbraw/zinc/40/67/10/601406710.db2.gz VTGHOMOEFNSUCQ-UHFFFAOYSA-N -1 0 332.404 2.881 20 30 EFEDRM C/C(=C/COC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000825775472 601423334 /nfs/dbraw/zinc/42/33/34/601423334.db2.gz SKCPAWDVRSHKDR-WQLSENKSSA-N -1 0 341.319 2.918 20 30 EFEDRM C/C(=C/COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000825780311 601426047 /nfs/dbraw/zinc/42/60/47/601426047.db2.gz CLAPQFGNBJQSMN-WQLSENKSSA-N -1 0 338.319 2.933 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000833065180 601427201 /nfs/dbraw/zinc/42/72/01/601427201.db2.gz UQFOGIUUZVSLOG-RHSMWYFYSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000833064331 601427775 /nfs/dbraw/zinc/42/77/75/601427775.db2.gz HSWBBJHXQQEMFE-RDJZCZTQSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000833064329 601427847 /nfs/dbraw/zinc/42/78/47/601427847.db2.gz HSWBBJHXQQEMFE-NVXWUHKLSA-N -1 0 335.363 2.692 20 30 EFEDRM N#Cc1ccccc1Sc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000819111098 601435872 /nfs/dbraw/zinc/43/58/72/601435872.db2.gz LOSJGSRUCYIJEW-UHFFFAOYSA-N -1 0 326.377 2.914 20 30 EFEDRM N#Cc1c[nH]c(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000833068026 601438236 /nfs/dbraw/zinc/43/82/36/601438236.db2.gz LHODDPQRKOWBGE-QGZVFWFLSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)[O-])cc1Cl ZINC000833073195 601440557 /nfs/dbraw/zinc/44/05/57/601440557.db2.gz IIZDXFKEIIYTFP-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833074922 601475319 /nfs/dbraw/zinc/47/53/19/601475319.db2.gz GLAZQIUWXISJBC-JBVUFVISSA-N -1 0 332.359 2.782 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826849069 601478734 /nfs/dbraw/zinc/47/87/34/601478734.db2.gz RNFUGYMRPDDSRS-UHFFFAOYSA-N -1 0 333.388 2.944 20 30 EFEDRM COc1cc(NC(=O)c2cc(C#N)cs2)c(C(=O)[O-])cc1OC ZINC000832022208 601526374 /nfs/dbraw/zinc/52/63/74/601526374.db2.gz KZYVKNVAZPDYFD-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM Cn1cc(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1C(=O)[O-] ZINC000833049648 601526943 /nfs/dbraw/zinc/52/69/43/601526943.db2.gz RWRCNQNJLRDYMW-UHFFFAOYSA-N -1 0 329.360 2.795 20 30 EFEDRM Cc1cc(C(=O)NCC#Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000237720128 601529635 /nfs/dbraw/zinc/52/96/35/601529635.db2.gz CHQCZHFENRANIZ-UHFFFAOYSA-N -1 0 337.375 2.548 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832860323 601536670 /nfs/dbraw/zinc/53/66/70/601536670.db2.gz MSZWYXFZCQOUMS-UHFFFAOYSA-N -1 0 338.363 2.937 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)C2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000832860193 601565719 /nfs/dbraw/zinc/56/57/19/601565719.db2.gz FGEWABSLMLRFKN-UHFFFAOYSA-N -1 0 330.384 2.675 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C#N)cs2)c1OC ZINC000831908041 601567782 /nfs/dbraw/zinc/56/77/82/601567782.db2.gz AHNZRSFJUUTUAR-UHFFFAOYSA-N -1 0 332.337 2.587 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(CC(=O)[O-])C1CC1 ZINC000827219072 601579706 /nfs/dbraw/zinc/57/97/06/601579706.db2.gz WKHDXFZJJDWSPI-LBPRGKRZSA-N -1 0 347.440 2.568 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000831837377 601608978 /nfs/dbraw/zinc/60/89/78/601608978.db2.gz YGDDYTMNVPUNDM-SUMWQHHRSA-N -1 0 340.379 2.859 20 30 EFEDRM C[C@H](CNC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC000827493304 601616709 /nfs/dbraw/zinc/61/67/09/601616709.db2.gz OVJLMKOFLKPHJC-GFCCVEGCSA-N -1 0 328.393 2.990 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000827213779 601616844 /nfs/dbraw/zinc/61/68/44/601616844.db2.gz QTJBBOWEDJVMEP-LBPRGKRZSA-N -1 0 330.388 2.751 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC000833070756 601621836 /nfs/dbraw/zinc/62/18/36/601621836.db2.gz AJIFVBYBWMJCNC-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNCc1cccc(Cl)c1 ZINC000833015743 601626945 /nfs/dbraw/zinc/62/69/45/601626945.db2.gz LGOFXPORSNPPBE-UHFFFAOYSA-N -1 0 334.807 2.752 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000833068956 601656944 /nfs/dbraw/zinc/65/69/44/601656944.db2.gz QSUBFBVRCFPJPR-CQSZACIVSA-N -1 0 330.290 2.782 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000833068560 601657932 /nfs/dbraw/zinc/65/79/32/601657932.db2.gz BYCJPRBTXLKOMU-UHFFFAOYSA-N -1 0 344.317 2.954 20 30 EFEDRM CC[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000818308155 601676050 /nfs/dbraw/zinc/67/60/50/601676050.db2.gz GPZXLJNRGVPVCZ-QGZVFWFLSA-N -1 0 338.363 2.730 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000833068948 601679687 /nfs/dbraw/zinc/67/96/87/601679687.db2.gz QLJFOHFPYHYTFZ-UHFFFAOYSA-N -1 0 347.233 2.695 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830059781 601701491 /nfs/dbraw/zinc/70/14/91/601701491.db2.gz OIURUTRPWFCRFR-UHFFFAOYSA-N -1 0 331.372 2.723 20 30 EFEDRM CON=Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000831841560 601702597 /nfs/dbraw/zinc/70/25/97/601702597.db2.gz ICSUQANWTULPRK-UHFFFAOYSA-N -1 0 331.299 2.861 20 30 EFEDRM CC(C)(CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000826602067 601710554 /nfs/dbraw/zinc/71/05/54/601710554.db2.gz JIYIEJCYVQKOJD-UHFFFAOYSA-N -1 0 342.351 2.571 20 30 EFEDRM C#CCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825631714 601730464 /nfs/dbraw/zinc/73/04/64/601730464.db2.gz KFWHDEJISKMPJN-UHFFFAOYSA-N -1 0 328.295 2.893 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832863356 601735719 /nfs/dbraw/zinc/73/57/19/601735719.db2.gz IJVRNBXQAZYBIN-MRXNPFEDSA-N -1 0 344.411 2.969 20 30 EFEDRM Cc1sc(NC(=O)CN(CCC#N)CC(C)C)c(C(=O)[O-])c1C ZINC000833034030 601762321 /nfs/dbraw/zinc/76/23/21/601762321.db2.gz MCPNIVGPSPAVOI-UHFFFAOYSA-N -1 0 337.445 2.873 20 30 EFEDRM Cc1c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(C#N)cc1 ZINC000832848335 601794000 /nfs/dbraw/zinc/79/40/00/601794000.db2.gz AJQRJBQOYQEYMR-QPJJXVBHSA-N -1 0 346.346 2.975 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C1=O ZINC000814745049 601796197 /nfs/dbraw/zinc/79/61/97/601796197.db2.gz GKIKVRUTHHYSEL-KRWDZBQOSA-N -1 0 348.403 2.718 20 30 EFEDRM CCc1cc(N=NCc2c[nH]c(C(=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000814842018 601797566 /nfs/dbraw/zinc/79/75/66/601797566.db2.gz OOPDPFBJYXOKFD-UHFFFAOYSA-N -1 0 336.355 2.573 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000024346716 601826595 /nfs/dbraw/zinc/82/65/95/601826595.db2.gz DDJHYXIXFBLOKB-UHFFFAOYSA-N -1 0 335.768 2.820 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829643253 601828976 /nfs/dbraw/zinc/82/89/76/601828976.db2.gz YAPWSEGXAQUALQ-ZDUSSCGKSA-N -1 0 347.415 2.592 20 30 EFEDRM N#Cc1ccccc1OS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013342478 601832481 /nfs/dbraw/zinc/83/24/81/601832481.db2.gz BARWDEBXSRZIFY-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832910423 601861869 /nfs/dbraw/zinc/86/18/69/601861869.db2.gz ITMDJEYJZIIPCP-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#CCCN(C(=O)CNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000833065433 601908929 /nfs/dbraw/zinc/90/89/29/601908929.db2.gz CQBXLQOHDNIPRL-UHFFFAOYSA-N -1 0 341.342 2.883 20 30 EFEDRM CC(C)Oc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccn1 ZINC000827038171 601982604 /nfs/dbraw/zinc/98/26/04/601982604.db2.gz JALCMFRXDLCXDD-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM CCCn1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000829585394 601985961 /nfs/dbraw/zinc/98/59/61/601985961.db2.gz UILWFTHUTVVTKP-MRXNPFEDSA-N -1 0 341.367 2.764 20 30 EFEDRM CCCn1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829585282 601986159 /nfs/dbraw/zinc/98/61/59/601986159.db2.gz LDRDSOOFRHSIKB-MRXNPFEDSA-N -1 0 341.367 2.764 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827896690 602001970 /nfs/dbraw/zinc/00/19/70/602001970.db2.gz XDQVKWABXGRMOH-JTQLQIEISA-N -1 0 331.349 2.829 20 30 EFEDRM CN(C(=O)c1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830532747 602011034 /nfs/dbraw/zinc/01/10/34/602011034.db2.gz CLMIPSFSDGGYOU-OAHLLOKOSA-N -1 0 348.280 2.873 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820815180 602035580 /nfs/dbraw/zinc/03/55/80/602035580.db2.gz YWSSWWUPFKDHIL-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000831836754 602051976 /nfs/dbraw/zinc/05/19/76/602051976.db2.gz MOEXVDUAFOIWNC-HZPDHXFCSA-N -1 0 332.400 2.820 20 30 EFEDRM C[C@H](Oc1ccc(C=Nn2cnnc2-c2ccccc2)cc1)C(=O)[O-] ZINC000794887795 602071346 /nfs/dbraw/zinc/07/13/46/602071346.db2.gz CYRHEELGSSIGAK-ZDUSSCGKSA-N -1 0 336.351 2.679 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794896174 602072366 /nfs/dbraw/zinc/07/23/66/602072366.db2.gz WJTCETGFYJOMIE-GFCCVEGCSA-N -1 0 338.367 2.871 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1 ZINC000794911342 602075492 /nfs/dbraw/zinc/07/54/92/602075492.db2.gz CAWIKTMMDSNLSL-VIFPVBQESA-N -1 0 334.763 2.736 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738433328 602078040 /nfs/dbraw/zinc/07/80/40/602078040.db2.gz ZVEYLYALCIGUBW-GOSISDBHSA-N -1 0 349.390 2.793 20 30 EFEDRM O=C([O-])c1ccc(CON=Cc2cnn(-c3ccccc3)n2)cc1F ZINC000833314749 602161302 /nfs/dbraw/zinc/16/13/02/602161302.db2.gz KXBRPYFFZIVUAF-UHFFFAOYSA-N -1 0 340.314 2.655 20 30 EFEDRM C#CCOc1ccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000825632074 602170985 /nfs/dbraw/zinc/17/09/85/602170985.db2.gz RXSJRQGETKSSRR-GOSISDBHSA-N -1 0 341.363 2.954 20 30 EFEDRM C#CCOc1cccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000825632398 602171393 /nfs/dbraw/zinc/17/13/93/602171393.db2.gz ZDDLRUZLEKQYED-GOSISDBHSA-N -1 0 341.363 2.954 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000826636902 602180159 /nfs/dbraw/zinc/18/01/59/602180159.db2.gz UCHQCHRDRAMESK-UHFFFAOYSA-N -1 0 338.363 2.981 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000828764678 602182673 /nfs/dbraw/zinc/18/26/73/602182673.db2.gz LILONMBCNQGFMF-YWPYICTPSA-N -1 0 330.384 2.958 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825966713 602226929 /nfs/dbraw/zinc/22/69/29/602226929.db2.gz KXCLPIVFPVEYAD-LBPRGKRZSA-N -1 0 341.367 2.927 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3cccs3)C2)cc1 ZINC000833071877 602232652 /nfs/dbraw/zinc/23/26/52/602232652.db2.gz MAZICVWMGNQKBP-HOCLYGCPSA-N -1 0 328.393 2.819 20 30 EFEDRM C=CCn1c(S[C@@H](CCCC)C(=O)[O-])nnc1-c1cnccn1 ZINC000825710812 602241950 /nfs/dbraw/zinc/24/19/50/602241950.db2.gz CAQIKYPZDXLCEG-LBPRGKRZSA-N -1 0 333.417 2.657 20 30 EFEDRM C[C@@H](COc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827525003 602270751 /nfs/dbraw/zinc/27/07/51/602270751.db2.gz ODIBZOAFVYTTIV-GUYCJALGSA-N -1 0 339.347 2.942 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000833066415 602295999 /nfs/dbraw/zinc/29/59/99/602295999.db2.gz YGUHUDXVXCYAHB-XFFZJAGNSA-N -1 0 346.692 2.722 20 30 EFEDRM N#Cc1ccc(F)cc1CSCc1noc(CCCC(=O)[O-])n1 ZINC000833073582 602309967 /nfs/dbraw/zinc/30/99/67/602309967.db2.gz RDZUEWZWIXWFTR-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825702296 602366107 /nfs/dbraw/zinc/36/61/07/602366107.db2.gz IMYMVCZBWZWLSA-UHFFFAOYSA-N -1 0 329.356 2.610 20 30 EFEDRM O=C([O-])c1cc(Cl)cc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000833091622 602368040 /nfs/dbraw/zinc/36/80/40/602368040.db2.gz BMNJVBRZKJONJS-UHFFFAOYSA-N -1 0 343.722 2.757 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833072478 602373510 /nfs/dbraw/zinc/37/35/10/602373510.db2.gz ZPLASZISUBPDKO-UHFFFAOYSA-N -1 0 343.314 2.596 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737577822 603087627 /nfs/dbraw/zinc/08/76/27/603087627.db2.gz LFDFRUXOOOFAMA-OAHLLOKOSA-N -1 0 325.324 2.974 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736108999 603263093 /nfs/dbraw/zinc/26/30/93/603263093.db2.gz ZUKJIRMELRBVHY-INIZCTEOSA-N -1 0 331.416 2.569 20 30 EFEDRM C=CCCC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825664551 604340998 /nfs/dbraw/zinc/34/09/98/604340998.db2.gz DQIDJMDRMBQIGP-MRXNPFEDSA-N -1 0 336.819 2.576 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000736359588 604376328 /nfs/dbraw/zinc/37/63/28/604376328.db2.gz HTMSPKLTCOOQDQ-CABZTGNLSA-N -1 0 335.360 2.904 20 30 EFEDRM Cc1cc(C(=O)Oc2ccc(C#N)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832869835 604394491 /nfs/dbraw/zinc/39/44/91/604394491.db2.gz PUTFRIBKKGTNQQ-UHFFFAOYSA-N -1 0 343.310 2.997 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000825692116 604432886 /nfs/dbraw/zinc/43/28/86/604432886.db2.gz IOYAXRDXUFGJRY-LBPRGKRZSA-N -1 0 336.344 2.863 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000825692547 604432951 /nfs/dbraw/zinc/43/29/51/604432951.db2.gz XDLHUSWOJLSARV-ZDUSSCGKSA-N -1 0 343.364 2.595 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833374010 604486454 /nfs/dbraw/zinc/48/64/54/604486454.db2.gz NJKKDQPOCWDIST-ZDUSSCGKSA-N -1 0 343.383 2.799 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833540984 604497861 /nfs/dbraw/zinc/49/78/61/604497861.db2.gz OYJUXNWZERUTKO-DNOWBOINSA-N -1 0 331.368 2.902 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000825664468 604509545 /nfs/dbraw/zinc/50/95/45/604509545.db2.gz ALWJKZHHXNUFLQ-AWEZNQCLSA-N -1 0 334.397 2.699 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000825664478 604509816 /nfs/dbraw/zinc/50/98/16/604509816.db2.gz ARQUXKZMRFYDOE-OAHLLOKOSA-N -1 0 348.424 2.709 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000833469686 604518383 /nfs/dbraw/zinc/51/83/83/604518383.db2.gz YCLYIPOARFBPCP-GJZGRUSLSA-N -1 0 331.416 2.957 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000833469688 604518522 /nfs/dbraw/zinc/51/85/22/604518522.db2.gz YCLYIPOARFBPCP-HUUCEWRRSA-N -1 0 331.416 2.957 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832081097 604544206 /nfs/dbraw/zinc/54/42/06/604544206.db2.gz ZAJVEBQYGWWAOH-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM N#Cc1c(Cn2nc(-c3ccccc3)ccc2=O)cccc1C(=O)[O-] ZINC000833761342 604547833 /nfs/dbraw/zinc/54/78/33/604547833.db2.gz WAOLMIWPMYSFCF-UHFFFAOYSA-N -1 0 331.331 2.528 20 30 EFEDRM N#Cc1c(CSc2nnnn2C2CCCC2)cccc1C(=O)[O-] ZINC000833761409 604551761 /nfs/dbraw/zinc/55/17/61/604551761.db2.gz ZJQHZJFJGVSMAG-UHFFFAOYSA-N -1 0 329.385 2.650 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)OCC ZINC000833367818 604552524 /nfs/dbraw/zinc/55/25/24/604552524.db2.gz WGDLGHJZRFPTQE-ZFWWWQNUSA-N -1 0 327.327 2.578 20 30 EFEDRM C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000833522799 604564062 /nfs/dbraw/zinc/56/40/62/604564062.db2.gz RVMNAPBKZREASM-ZDUSSCGKSA-N -1 0 337.379 2.859 20 30 EFEDRM CCOc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833664291 604581760 /nfs/dbraw/zinc/58/17/60/604581760.db2.gz PKMLAJDDQZYDDK-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM C#CCOCCC(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833366077 604587400 /nfs/dbraw/zinc/58/74/00/604587400.db2.gz FDXYMGSFZDCULJ-UHFFFAOYSA-N -1 0 345.376 2.591 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)c1ccccc1 ZINC000825665161 604630156 /nfs/dbraw/zinc/63/01/56/604630156.db2.gz WJFCXOMQUJYKKO-CQSZACIVSA-N -1 0 328.372 2.797 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cnc(N3CCOCC3)s2)cc1 ZINC000833309686 604630813 /nfs/dbraw/zinc/63/08/13/604630813.db2.gz FFPXAYOXONOPBF-WAYWQWQTSA-N -1 0 344.392 2.574 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ccc(Cl)c(C#N)n1 ZINC000830000038 604634735 /nfs/dbraw/zinc/63/47/35/604634735.db2.gz AGLUVNPJUSMWMW-NSHDSACASA-N -1 0 325.796 2.560 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccccc1 ZINC000833362653 604637338 /nfs/dbraw/zinc/63/73/38/604637338.db2.gz CFWWCJUUUCZJPF-OAHLLOKOSA-N -1 0 347.367 2.567 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1C#N ZINC000827055190 604640134 /nfs/dbraw/zinc/64/01/34/604640134.db2.gz ZIJORQNFUHMYHU-AWEZNQCLSA-N -1 0 331.372 2.816 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=S)Nc3ccccn3)c2c1 ZINC000833325321 604644251 /nfs/dbraw/zinc/64/42/51/604644251.db2.gz NUAXCVQLUOXPTE-UHFFFAOYSA-N -1 0 339.380 2.582 20 30 EFEDRM CCOc1cc(C#N)ccc1OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833660579 604670765 /nfs/dbraw/zinc/67/07/65/604670765.db2.gz DDMASTKHULDOKT-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM C#CCNC(=S)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833365207 604677929 /nfs/dbraw/zinc/67/79/29/604677929.db2.gz DJLFWKUTSRVWQY-UHFFFAOYSA-N -1 0 347.621 2.720 20 30 EFEDRM C=CCOc1ccccc1C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833378233 604695599 /nfs/dbraw/zinc/69/55/99/604695599.db2.gz BOHOJBNVZSUJGB-UHFFFAOYSA-N -1 0 340.331 2.989 20 30 EFEDRM COC1CCC(CC(=O)OCc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833718952 604717192 /nfs/dbraw/zinc/71/71/92/604717192.db2.gz HIIICAXEVZRAPE-UHFFFAOYSA-N -1 0 331.368 2.895 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833760670 604738571 /nfs/dbraw/zinc/73/85/71/604738571.db2.gz ZPXBJJAWOPADES-UHFFFAOYSA-N -1 0 339.351 2.644 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000825692173 604743616 /nfs/dbraw/zinc/74/36/16/604743616.db2.gz LRMVRPHGWQEZEQ-RISCZKNCSA-N -1 0 345.424 2.933 20 30 EFEDRM CC(=NNCc1ccc(-c2ccccc2)cc1)c1cn(CC(=O)[O-])nn1 ZINC000825804844 604786679 /nfs/dbraw/zinc/78/66/79/604786679.db2.gz YDXRXOMHIMPODI-UHFFFAOYSA-N -1 0 349.394 2.544 20 30 EFEDRM O=C([O-])Nc1ccc(CNC(=O)CON=Cc2cccc(F)c2)cc1 ZINC000833286824 604795400 /nfs/dbraw/zinc/79/54/00/604795400.db2.gz WKYVEUITNNBEHR-UHFFFAOYSA-N -1 0 345.330 2.583 20 30 EFEDRM O=C([O-])[C@H]1CCCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000833188792 604796925 /nfs/dbraw/zinc/79/69/25/604796925.db2.gz ISMOEXVZIVCRHN-CQSZACIVSA-N -1 0 327.302 2.876 20 30 EFEDRM N#Cc1c(Cl)cccc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833761284 604845226 /nfs/dbraw/zinc/84/52/26/604845226.db2.gz SEOLPXOEJFHWQP-UHFFFAOYSA-N -1 0 338.816 2.627 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181889278 604870999 /nfs/dbraw/zinc/87/09/99/604870999.db2.gz BPDZIDXCPWJXIG-AWEZNQCLSA-N -1 0 329.755 2.704 20 30 EFEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000832845867 604878933 /nfs/dbraw/zinc/87/89/33/604878933.db2.gz ICELLAPMXMMGBO-LLVKDONJSA-N -1 0 336.351 2.707 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000832984251 604886006 /nfs/dbraw/zinc/88/60/06/604886006.db2.gz MQGDKJCSCNQSBA-LLVKDONJSA-N -1 0 338.298 2.594 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000833414936 604894419 /nfs/dbraw/zinc/89/44/19/604894419.db2.gz HDWFOQCHNDUQCQ-YDZSZYSISA-N -1 0 326.396 2.921 20 30 EFEDRM N#Cc1ccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000833071330 604935865 /nfs/dbraw/zinc/93/58/65/604935865.db2.gz FCTXWBJLJPWIKG-UHFFFAOYSA-N -1 0 336.391 2.994 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000833678948 604974323 /nfs/dbraw/zinc/97/43/23/604974323.db2.gz SIRDWMXAGVMYGV-GOSISDBHSA-N -1 0 340.379 2.985 20 30 EFEDRM COC(=O)c1ccc(NCc2cc(C#N)ccc2OC)cc1C(=O)[O-] ZINC000831434858 604984420 /nfs/dbraw/zinc/98/44/20/604984420.db2.gz HPDODNLWLOUOHM-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COc1ccc(C#N)cc1CNc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000832153085 604984852 /nfs/dbraw/zinc/98/48/52/604984852.db2.gz TVJOLXNTQIAAMC-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830844576 604992103 /nfs/dbraw/zinc/99/21/03/604992103.db2.gz FDHBQSHQVUNHTA-UHFFFAOYSA-N -1 0 344.396 2.696 20 30 EFEDRM C#CCCCCC(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833363011 605018795 /nfs/dbraw/zinc/01/87/95/605018795.db2.gz WNRSZCALKPOWPI-UHFFFAOYSA-N -1 0 349.408 2.610 20 30 EFEDRM C=CC[C@H](C)NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000162567497 605029126 /nfs/dbraw/zinc/02/91/26/605029126.db2.gz WUUOAPRSIOJMMZ-VIFPVBQESA-N -1 0 325.411 2.842 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000833455625 605031906 /nfs/dbraw/zinc/03/19/06/605031906.db2.gz WIZGNGPKPNZCOG-UHFFFAOYSA-N -1 0 343.339 2.542 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)Nc1ccc(F)cc1 ZINC000833405658 605037860 /nfs/dbraw/zinc/03/78/60/605037860.db2.gz GJSVRQUCXMFYBJ-SNVBAGLBSA-N -1 0 334.376 2.593 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NN1C(=S)N=NC1c1cccs1 ZINC000833407659 605038547 /nfs/dbraw/zinc/03/85/47/605038547.db2.gz UMQYTCYLCGUZTG-SECBINFHSA-N -1 0 347.425 2.625 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1nc(-c2ccccc2)no1 ZINC000833407643 605040390 /nfs/dbraw/zinc/04/03/90/605040390.db2.gz UHVZCNGEZBKWPE-LLVKDONJSA-N -1 0 325.328 2.630 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833365140 605045905 /nfs/dbraw/zinc/04/59/05/605045905.db2.gz KQKXHSNYCCCPBQ-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000820507207 605051457 /nfs/dbraw/zinc/05/14/57/605051457.db2.gz YWVAROVQYPDCKT-UHFFFAOYSA-N -1 0 334.335 2.878 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833379007 605077492 /nfs/dbraw/zinc/07/74/92/605077492.db2.gz UCFRZAUEISNGGW-HNNXBMFYSA-N -1 0 331.299 2.768 20 30 EFEDRM CC(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(=O)[nH]1 ZINC000833509397 605078554 /nfs/dbraw/zinc/07/85/54/605078554.db2.gz LBJWMMGSUAPSLG-MRXNPFEDSA-N -1 0 340.335 2.765 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000818626747 605098142 /nfs/dbraw/zinc/09/81/42/605098142.db2.gz ICFFJGWUYSSIEF-UHFFFAOYSA-N -1 0 334.391 2.862 20 30 EFEDRM CCn1c2ccc(C#N)cc2nc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000833683213 605113366 /nfs/dbraw/zinc/11/33/66/605113366.db2.gz FYYUCCYANOZXNZ-UHFFFAOYSA-N -1 0 328.372 2.757 20 30 EFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833760209 605127669 /nfs/dbraw/zinc/12/76/69/605127669.db2.gz KRAOYCTXEYOTEM-UHFFFAOYSA-N -1 0 330.369 2.789 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000833379635 605129871 /nfs/dbraw/zinc/12/98/71/605129871.db2.gz JDGHMMIKMVPKKG-WCQYABFASA-N -1 0 334.368 2.842 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833369453 605130795 /nfs/dbraw/zinc/13/07/95/605130795.db2.gz ZFPZAGHLJXMVBD-UHFFFAOYSA-N -1 0 347.415 2.651 20 30 EFEDRM CC1(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)COC1 ZINC000833553380 605148193 /nfs/dbraw/zinc/14/81/93/605148193.db2.gz JLFCWSQMQOIGDJ-UHFFFAOYSA-N -1 0 335.359 2.760 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000833613917 605150948 /nfs/dbraw/zinc/15/09/48/605150948.db2.gz WPBZETNMBKUAFC-IUODEOHRSA-N -1 0 349.456 2.527 20 30 EFEDRM CN(C)C(=O)c1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)[nH]1 ZINC000833687133 605156903 /nfs/dbraw/zinc/15/69/03/605156903.db2.gz IAQMZPCLABMHJE-UHFFFAOYSA-N -1 0 334.763 2.514 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833378486 605171782 /nfs/dbraw/zinc/17/17/82/605171782.db2.gz GCLNYFLPZOSCDN-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC000833373796 605183453 /nfs/dbraw/zinc/18/34/53/605183453.db2.gz CYVNJNOKNOFKMP-UHFFFAOYSA-N -1 0 338.429 2.898 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)O1 ZINC000833581555 605187742 /nfs/dbraw/zinc/18/77/42/605187742.db2.gz OZTNBLUNNCACQO-LBPRGKRZSA-N -1 0 344.754 2.674 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)c1ccccc1 ZINC000833370679 605269821 /nfs/dbraw/zinc/26/98/21/605269821.db2.gz FXVHOCNIHYOQHP-SCLBCKFNSA-N -1 0 325.364 2.994 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)c1ccccc1 ZINC000833370676 605269842 /nfs/dbraw/zinc/26/98/42/605269842.db2.gz FXVHOCNIHYOQHP-FZKQIMNGSA-N -1 0 325.364 2.994 20 30 EFEDRM C=C(C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833368455 605307304 /nfs/dbraw/zinc/30/73/04/605307304.db2.gz KAEGTJJMQOAEGI-UHFFFAOYSA-N -1 0 338.385 2.810 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000833374272 605445599 /nfs/dbraw/zinc/44/55/99/605445599.db2.gz DQMKCYIXHUZILO-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833481798 605450824 /nfs/dbraw/zinc/45/08/24/605450824.db2.gz NRYCYMTVJKBOSM-KRWDZBQOSA-N -1 0 341.411 2.856 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833374478 605477033 /nfs/dbraw/zinc/47/70/33/605477033.db2.gz LAWQJOBCXDRDET-UHFFFAOYSA-N -1 0 330.384 2.836 20 30 EFEDRM C=CCN(CCc1ccco1)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833374300 605477734 /nfs/dbraw/zinc/47/77/34/605477734.db2.gz GEQFJJQBHQBFTD-UHFFFAOYSA-N -1 0 342.395 2.955 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833374212 605486441 /nfs/dbraw/zinc/48/64/41/605486441.db2.gz CMSSEIGYTNNGGN-UHFFFAOYSA-N -1 0 329.352 2.614 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833432475 605600269 /nfs/dbraw/zinc/60/02/69/605600269.db2.gz NMEKRZVUROMIAS-KRWDZBQOSA-N -1 0 347.371 2.977 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819915055 605625316 /nfs/dbraw/zinc/62/53/16/605625316.db2.gz SHRXGBZAVJDKNZ-SFHVURJKSA-N -1 0 346.383 2.514 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819915054 605625635 /nfs/dbraw/zinc/62/56/35/605625635.db2.gz SHRXGBZAVJDKNZ-GOSISDBHSA-N -1 0 346.383 2.514 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833432348 605626307 /nfs/dbraw/zinc/62/63/07/605626307.db2.gz LTCTXKYKMOBCDZ-HNNXBMFYSA-N -1 0 338.385 2.646 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000833431848 605668162 /nfs/dbraw/zinc/66/81/62/605668162.db2.gz FKXYJNKFPLNLMW-SFHVURJKSA-N -1 0 347.367 2.690 20 30 EFEDRM C#CCCCCCC(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833361845 605673231 /nfs/dbraw/zinc/67/32/31/605673231.db2.gz OIWWDTCUVBVZPG-CYBMUJFWSA-N -1 0 349.408 2.679 20 30 EFEDRM C[C@H](Sc1ccccn1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833544774 605717839 /nfs/dbraw/zinc/71/78/39/605717839.db2.gz IWFAEUVUMICOJE-XHDPSFHLSA-N -1 0 342.376 2.803 20 30 EFEDRM CCC(CC)(CNC(=O)Nc1ccccc1O[C@H](C)C#N)C(=O)[O-] ZINC000818624542 605719396 /nfs/dbraw/zinc/71/93/96/605719396.db2.gz SXPGNBOIQNAKRU-GFCCVEGCSA-N -1 0 333.388 2.990 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833542143 605799732 /nfs/dbraw/zinc/79/97/32/605799732.db2.gz GIPQKPCITXVMSR-LLVKDONJSA-N -1 0 343.310 2.697 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C(=O)[O-])no1 ZINC000833486225 605873940 /nfs/dbraw/zinc/87/39/40/605873940.db2.gz DDQABVGTXGAYPY-UHFFFAOYSA-N -1 0 327.340 2.543 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000819713524 605897075 /nfs/dbraw/zinc/89/70/75/605897075.db2.gz PRFDSFVPEOSMJP-UHFFFAOYSA-N -1 0 338.363 2.538 20 30 EFEDRM CC(C)c1csc(C(C#N)=C([O-])c2sccc2-c2nn[nH]n2)n1 ZINC000820198464 606135428 /nfs/dbraw/zinc/13/54/28/606135428.db2.gz WPKXCRTXGANSAT-VIFPVBQESA-N -1 0 344.425 2.998 20 30 EFEDRM COc1ccc([C@@H](C)C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC000821777401 606166003 /nfs/dbraw/zinc/16/60/03/606166003.db2.gz DZOWZYWOLXZIFN-VIFPVBQESA-N -1 0 341.375 2.763 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2c3cccc(F)c3CC[C@H]2C)o1 ZINC000822422646 606238212 /nfs/dbraw/zinc/23/82/12/606238212.db2.gz AWHLWKASFWMIFM-MRVPVSSYSA-N -1 0 341.350 2.701 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(CC(C)C)cc2)o1 ZINC000822422822 606703204 /nfs/dbraw/zinc/70/32/04/606703204.db2.gz DCOQIMNAVUDKGX-UHFFFAOYSA-N -1 0 325.376 2.808 20 30 EFEDRM Cc1cc(N)ccc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823963134 607964983 /nfs/dbraw/zinc/96/49/83/607964983.db2.gz WDFWIEHXKDDXLD-UHFFFAOYSA-N -1 0 340.391 2.705 20 30 EFEDRM Clc1cc(NN=Cc2c[nH]c3ncccc23)ccc1-c1nn[nH]n1 ZINC000826351586 609471569 /nfs/dbraw/zinc/47/15/69/609471569.db2.gz RXSAGTHLJSWOBM-UHFFFAOYSA-N -1 0 338.762 2.842 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000228420244 1249094694 /nfs/dbraw/zinc/09/46/94/1249094694.db2.gz CZWIMXXWAGEZEI-SECBINFHSA-N -1 0 332.581 2.862 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850717998 1250575090 /nfs/dbraw/zinc/57/50/90/1250575090.db2.gz AMZYUSCYRBRDCR-LBPRGKRZSA-N -1 0 347.440 2.867 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)NC2CC2)c1C ZINC000850759388 1250597950 /nfs/dbraw/zinc/59/79/50/1250597950.db2.gz PBLQXBSDJWELQR-CYBMUJFWSA-N -1 0 335.201 2.667 20 30 EFEDRM Cc1cc(Br)cc(C([O-])=C(C#N)C(=O)NC2CC2)c1C ZINC000850759390 1250598318 /nfs/dbraw/zinc/59/83/18/1250598318.db2.gz PBLQXBSDJWELQR-ZDUSSCGKSA-N -1 0 335.201 2.667 20 30 EFEDRM CO[C@@](C)(C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000850781958 1250615926 /nfs/dbraw/zinc/61/59/26/1250615926.db2.gz HIEYUIWLMWDWIT-BBATYDOGSA-N -1 0 344.367 2.751 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c(F)c1 ZINC000850869875 1250659629 /nfs/dbraw/zinc/65/96/29/1250659629.db2.gz FRUXGVCIFGUJIA-UHFFFAOYSA-N -1 0 338.404 2.803 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850899734 1250675145 /nfs/dbraw/zinc/67/51/45/1250675145.db2.gz VKIXWZMGLQMRTM-IXDOHACOSA-N -1 0 335.407 2.971 20 30 EFEDRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000850932964 1250695054 /nfs/dbraw/zinc/69/50/54/1250695054.db2.gz UAFLMUBXJFHIMV-JKSUJKDBSA-N -1 0 346.452 2.629 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000850930898 1250696387 /nfs/dbraw/zinc/69/63/87/1250696387.db2.gz ZNHNLYUIFBBPNB-JKSUJKDBSA-N -1 0 348.468 2.641 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850930895 1250697045 /nfs/dbraw/zinc/69/70/45/1250697045.db2.gz ZNHNLYUIFBBPNB-CVEARBPZSA-N -1 0 348.468 2.641 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccnn1C(F)F)c1ccccc1 ZINC000850978054 1250724665 /nfs/dbraw/zinc/72/46/65/1250724665.db2.gz KPYWGPRULFSQDS-QWHCGFSZSA-N -1 0 346.337 2.868 20 30 EFEDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000850998407 1250738073 /nfs/dbraw/zinc/73/80/73/1250738073.db2.gz PWKXBPKWZIMOCG-UHFFFAOYSA-N -1 0 334.441 2.918 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1 ZINC000851013052 1250740525 /nfs/dbraw/zinc/74/05/25/1250740525.db2.gz HOBBVKWFCWMUTR-UHFFFAOYSA-N -1 0 326.443 2.726 20 30 EFEDRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191647 1250858665 /nfs/dbraw/zinc/85/86/65/1250858665.db2.gz JLQQTAIZAKBJLL-NSHDSACASA-N -1 0 340.420 2.716 20 30 EFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851470889 1251021167 /nfs/dbraw/zinc/02/11/67/1251021167.db2.gz JWFIRXHIBWGRHV-UHFFFAOYSA-N -1 0 349.452 2.862 20 30 EFEDRM N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000851471930 1251022932 /nfs/dbraw/zinc/02/29/32/1251022932.db2.gz FXPMLLAAEJXPGW-UHFFFAOYSA-N -1 0 336.413 2.507 20 30 EFEDRM CCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000751135273 1265935126 /nfs/dbraw/zinc/93/51/26/1265935126.db2.gz WZNQOAZVGRVJBO-UHFFFAOYSA-N -1 0 325.419 2.537 20 30 EFEDRM N#CC(=C([O-])[C@@H]1Cc2ccccc2C(=O)O1)c1nc(C2CC2)cs1 ZINC000842938456 1257067583 /nfs/dbraw/zinc/06/75/83/1257067583.db2.gz JOHKAJIUWOKCOX-HIFRSBDPSA-N -1 0 338.388 2.978 20 30 EFEDRM O=C(/C=C/c1ccc(F)nc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000186394074 1259385000 /nfs/dbraw/zinc/38/50/00/1259385000.db2.gz YKZYDDOIJZSPQV-DAFODLJHSA-N -1 0 342.370 2.655 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cc(C)on2)ccc1OCCC(=O)[O-] ZINC000791434179 1278101338 /nfs/dbraw/zinc/10/13/38/1278101338.db2.gz VWXREFHYNMOEQE-HYXAFXHYSA-N -1 0 331.324 2.741 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC001116906424 1261840648 /nfs/dbraw/zinc/84/06/48/1261840648.db2.gz JIWNZVCIEHCJEQ-AGIUHOORSA-N -1 0 338.201 2.698 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C2/COc3ccc(F)cc32)c1 ZINC000738617758 1262084542 /nfs/dbraw/zinc/08/45/42/1262084542.db2.gz VGSGJWMPRKIWJF-GHXNOFRVSA-N -1 0 328.295 2.948 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2sccc2C2CC2)c1 ZINC000729897722 1264094702 /nfs/dbraw/zinc/09/47/02/1264094702.db2.gz YSLVKBSYBFMMTF-UHFFFAOYSA-N -1 0 346.433 2.757 20 30 EFEDRM COc1ccsc1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000730056232 1264176169 /nfs/dbraw/zinc/17/61/69/1264176169.db2.gz SIADEMVWUATFBP-SECBINFHSA-N -1 0 336.394 2.555 20 30 EFEDRM O=C([O-])COc1cccc(/C=C2/COc3c(F)cccc3C2=O)c1 ZINC000733206962 1265125241 /nfs/dbraw/zinc/12/52/41/1265125241.db2.gz UCZVSSGAVJTNOK-GHXNOFRVSA-N -1 0 328.295 2.948 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000154973436 1266480462 /nfs/dbraw/zinc/48/04/62/1266480462.db2.gz ZFOHIZRSYQGZFH-QGZVFWFLSA-N -1 0 340.379 2.586 20 30 EFEDRM C=CCC1(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC000922751172 1266718084 /nfs/dbraw/zinc/71/80/84/1266718084.db2.gz AYFCNBUGPRUUFB-CYBMUJFWSA-N -1 0 333.436 2.536 20 30 EFEDRM Cc1cc(F)ccc1-c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1 ZINC000734296831 1266939583 /nfs/dbraw/zinc/93/95/83/1266939583.db2.gz DAGVSELZGWHMIU-UHFFFAOYSA-N -1 0 344.371 2.825 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCOC[C@H]2CCCO2)c1[O-] ZINC000734303495 1266942022 /nfs/dbraw/zinc/94/20/22/1266942022.db2.gz RHDQNGFSUBCUGQ-VJMCZWTHSA-N -1 0 328.752 2.568 20 30 EFEDRM COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)c(OCC(=O)[O-])c1 ZINC000734362370 1266954505 /nfs/dbraw/zinc/95/45/05/1266954505.db2.gz OMRMAFYCGLGZFQ-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM CC(CS(=O)(=O)c1ccccc1)N=Nc1ccc(C(=O)[O-])cc1 ZINC000735408252 1267310451 /nfs/dbraw/zinc/31/04/51/1267310451.db2.gz SHUNYYRBBAHISA-UHFFFAOYSA-N -1 0 332.381 2.647 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000073837537 1267488093 /nfs/dbraw/zinc/48/80/93/1267488093.db2.gz ITJFUMYPRISTNQ-GFCCVEGCSA-N -1 0 346.493 2.936 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000073838263 1267534662 /nfs/dbraw/zinc/53/46/62/1267534662.db2.gz VPCSDQRFVIWZAI-CYBMUJFWSA-N -1 0 346.493 2.889 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccn(-c2ccccc2F)n1 ZINC000073838398 1267535331 /nfs/dbraw/zinc/53/53/31/1267535331.db2.gz JVHOPRLVQIXCQV-UHFFFAOYSA-N -1 0 339.392 2.834 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000073838573 1267535687 /nfs/dbraw/zinc/53/56/87/1267535687.db2.gz OASUWKLEGYZGAA-MRVPVSSYSA-N -1 0 346.455 2.541 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000073838614 1267535844 /nfs/dbraw/zinc/53/58/44/1267535844.db2.gz MGSSHOMINMCPQR-LBPRGKRZSA-N -1 0 339.413 2.913 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000073837718 1267553285 /nfs/dbraw/zinc/55/32/85/1267553285.db2.gz RQGJOPLMDYQEOT-UHFFFAOYSA-N -1 0 339.392 2.834 20 30 EFEDRM CCCCCCCCC/C=C/C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000736448065 1267616594 /nfs/dbraw/zinc/61/65/94/1267616594.db2.gz JLJVKDAXWKAVPR-AUECHBEKSA-N -1 0 335.452 2.797 20 30 EFEDRM CCCCCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OC ZINC000747045583 1278404439 /nfs/dbraw/zinc/40/44/39/1278404439.db2.gz GFBNJQREVWIONF-UHFFFAOYSA-N -1 0 345.403 2.909 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515594 1268381005 /nfs/dbraw/zinc/38/10/05/1268381005.db2.gz FHMBOEWILZICES-UHFFFAOYSA-N -1 0 345.305 2.946 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cs1 ZINC000741111117 1269313811 /nfs/dbraw/zinc/31/38/11/1269313811.db2.gz HETHRDZXHFLDLQ-LBPRGKRZSA-N -1 0 342.376 2.920 20 30 EFEDRM COc1ccc(CCNN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000737439650 1269622834 /nfs/dbraw/zinc/62/28/34/1269622834.db2.gz ASLGVLMJWMYNHE-AWEZNQCLSA-N -1 0 342.395 2.713 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000741657792 1269638804 /nfs/dbraw/zinc/63/88/04/1269638804.db2.gz XKYHCXDTPRYLFB-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM COc1ccc(-c2nc(SCC3(C)COC3)[n-]c(=O)c2C#N)cc1 ZINC000741850772 1269732800 /nfs/dbraw/zinc/73/28/00/1269732800.db2.gz YLDITOFTQBCTPB-UHFFFAOYSA-N -1 0 343.408 2.858 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000797967963 1269882080 /nfs/dbraw/zinc/88/20/80/1269882080.db2.gz MTHOKOFJULQYDK-UHFFFAOYSA-N -1 0 341.458 2.857 20 30 EFEDRM Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C(F)(F)F)n1 ZINC000792108917 1278549439 /nfs/dbraw/zinc/54/94/39/1278549439.db2.gz MNKXDERKRLGNKL-VIFPVBQESA-N -1 0 345.284 2.872 20 30 EFEDRM Cc1cccc2oc(CC/N=C/c3c(CO)cnc(C)c3O)nc21 ZINC000743045749 1270380218 /nfs/dbraw/zinc/38/02/18/1270380218.db2.gz WTFVFVPOXKNLCS-DJKKODMXSA-N -1 0 325.368 2.699 20 30 EFEDRM C[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(C#N)c1 ZINC000743246270 1270485973 /nfs/dbraw/zinc/48/59/73/1270485973.db2.gz DQABCWXDDLKLOH-AWEZNQCLSA-N -1 0 348.402 2.995 20 30 EFEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000744001989 1270828961 /nfs/dbraw/zinc/82/89/61/1270828961.db2.gz SOAVWLAFDZOBRB-UHFFFAOYSA-N -1 0 333.475 2.930 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000744030569 1270836588 /nfs/dbraw/zinc/83/65/88/1270836588.db2.gz HWKRROJLZCOPLF-GFCCVEGCSA-N -1 0 349.312 2.822 20 30 EFEDRM Cc1nnc(NN=Cc2c(-c3ccccc3)nc3ccccn32)[n-]c1=O ZINC000744684053 1271133229 /nfs/dbraw/zinc/13/32/29/1271133229.db2.gz ZDWWFWHVWMRLTB-UHFFFAOYSA-N -1 0 345.366 2.646 20 30 EFEDRM COC(=O)c1occc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000745020444 1271274562 /nfs/dbraw/zinc/27/45/62/1271274562.db2.gz FHPCEHSJHBPEPO-XUIVZRPNSA-N -1 0 344.319 2.814 20 30 EFEDRM CCc1ccc(CC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000745117897 1271320560 /nfs/dbraw/zinc/32/05/60/1271320560.db2.gz YEACUGWSJOUTKY-OAHLLOKOSA-N -1 0 342.420 2.976 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000843842218 1278625385 /nfs/dbraw/zinc/62/53/85/1278625385.db2.gz IDAVYYNPTQGAAD-TXEJJXNPSA-N -1 0 331.372 2.506 20 30 EFEDRM COc1cccc(F)c1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000745316265 1271428631 /nfs/dbraw/zinc/42/86/31/1271428631.db2.gz DOYSRAFRQRFWHS-SNVBAGLBSA-N -1 0 348.355 2.633 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cc(F)c2)n1 ZINC000745569819 1271517524 /nfs/dbraw/zinc/51/75/24/1271517524.db2.gz ZLDVKKFVYPOFBF-CYBMUJFWSA-N -1 0 332.356 2.932 20 30 EFEDRM C[C@](C#N)(Nc1cccc(S(=O)(=O)[O-])n1)c1ccccc1Cl ZINC001169379695 1272879114 /nfs/dbraw/zinc/87/91/14/1272879114.db2.gz QBHQSLNBQHVIGV-CQSZACIVSA-N -1 0 337.788 2.833 20 30 EFEDRM COc1ccc(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)nn1 ZINC001169473482 1272963860 /nfs/dbraw/zinc/96/38/60/1272963860.db2.gz GJTOVFJCMCHDDG-FBCYGCLPSA-N -1 0 326.278 2.924 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1 ZINC000805916518 1278753633 /nfs/dbraw/zinc/75/36/33/1278753633.db2.gz ZUIXGXPLYPVIEW-UHFFFAOYSA-N -1 0 338.429 2.754 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]c1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001169970391 1273609542 /nfs/dbraw/zinc/60/95/42/1273609542.db2.gz UCVARMYBMFVCHD-UHFFFAOYSA-N -1 0 335.707 2.983 20 30 EFEDRM COCCN(CCC#N)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000798196384 1274073612 /nfs/dbraw/zinc/07/36/12/1274073612.db2.gz JPYMCJIJNBCGFF-UHFFFAOYSA-N -1 0 336.775 2.514 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c(C)c1 ZINC000798210641 1274193582 /nfs/dbraw/zinc/19/35/82/1274193582.db2.gz CUVZZJXNBQXLIZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000798246793 1274374944 /nfs/dbraw/zinc/37/49/44/1274374944.db2.gz KWMJXAWDTAUCKL-UHFFFAOYSA-N -1 0 336.804 2.758 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cncc(F)c1 ZINC000792561134 1278901066 /nfs/dbraw/zinc/90/10/66/1278901066.db2.gz CGBPPRJSPVWNPX-CYBMUJFWSA-N -1 0 346.424 2.703 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccnc1 ZINC000792561763 1278902551 /nfs/dbraw/zinc/90/25/51/1278902551.db2.gz HYGHMUHDEZUZBA-ZDUSSCGKSA-N -1 0 328.434 2.564 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC[C@H]1C ZINC000792564476 1278909111 /nfs/dbraw/zinc/90/91/11/1278909111.db2.gz WOZQCAXNDBOCJJ-KGLIPLIRSA-N -1 0 334.482 2.509 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCCCC#N)c(F)c1 ZINC000805929927 1278919927 /nfs/dbraw/zinc/91/99/27/1278919927.db2.gz UKRAHPSZKOBYJS-UHFFFAOYSA-N -1 0 326.393 2.554 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000786082549 1275307814 /nfs/dbraw/zinc/30/78/14/1275307814.db2.gz MOKSWXBFDFPVDP-UHFFFAOYSA-N -1 0 335.338 2.975 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)c1 ZINC000786466228 1275415281 /nfs/dbraw/zinc/41/52/81/1275415281.db2.gz QRYJPIROKFNTTI-OAHLLOKOSA-N -1 0 343.289 2.674 20 30 EFEDRM COc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786534400 1275421917 /nfs/dbraw/zinc/42/19/17/1275421917.db2.gz KSUDPANTTPCJNQ-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000786539807 1275424979 /nfs/dbraw/zinc/42/49/79/1275424979.db2.gz IVTFNRXJSBRWKR-MRXNPFEDSA-N -1 0 337.335 2.542 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1)OCC ZINC000786511075 1275431574 /nfs/dbraw/zinc/43/15/74/1275431574.db2.gz YKGZTVFFQWQVKD-AWEZNQCLSA-N -1 0 343.420 2.619 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786541586 1275437314 /nfs/dbraw/zinc/43/73/14/1275437314.db2.gz PTBAJPWAOOAJGB-OAHLLOKOSA-N -1 0 340.404 2.898 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786544756 1275437923 /nfs/dbraw/zinc/43/79/23/1275437923.db2.gz YJCXPDXHAKLTQR-CQSZACIVSA-N -1 0 340.404 2.898 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786548129 1275438110 /nfs/dbraw/zinc/43/81/10/1275438110.db2.gz HSJJRGLGMFTDIZ-CQSZACIVSA-N -1 0 327.409 2.707 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2scnc2Cl)c1 ZINC000786551249 1275439990 /nfs/dbraw/zinc/43/99/90/1275439990.db2.gz CGKQRJXOJWWQAO-NSHDSACASA-N -1 0 333.800 2.744 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)c1 ZINC000786551078 1275440105 /nfs/dbraw/zinc/44/01/05/1275440105.db2.gz USDLKDAFCKGVIM-KRWDZBQOSA-N -1 0 346.390 2.819 20 30 EFEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786553409 1275441297 /nfs/dbraw/zinc/44/12/97/1275441297.db2.gz FYGXJZXZTOBBHG-LBPRGKRZSA-N -1 0 334.347 2.974 20 30 EFEDRM Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786562319 1275444274 /nfs/dbraw/zinc/44/42/74/1275444274.db2.gz IPRZZSJULOVBCR-OAHLLOKOSA-N -1 0 328.318 2.912 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(C#N)s1 ZINC000786571193 1275447659 /nfs/dbraw/zinc/44/76/59/1275447659.db2.gz SHFPMSONIDSWNJ-NSHDSACASA-N -1 0 345.330 2.537 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000786764759 1275516338 /nfs/dbraw/zinc/51/63/38/1275516338.db2.gz GYWDOZMDVZNSDH-GWCFXTLKSA-N -1 0 342.317 2.866 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCCCCC(C)(C)C#N ZINC000786769895 1275519913 /nfs/dbraw/zinc/51/99/13/1275519913.db2.gz FWUMGKTXJVFSLS-NSHDSACASA-N -1 0 336.354 2.953 20 30 EFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000786773505 1275521369 /nfs/dbraw/zinc/52/13/69/1275521369.db2.gz ZENPPWDAZIYRLJ-MFKMUULPSA-N -1 0 342.317 2.866 20 30 EFEDRM CCCn1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc2ccccc21 ZINC000786974579 1275595870 /nfs/dbraw/zinc/59/58/70/1275595870.db2.gz LETFVADCISBIAN-UHFFFAOYSA-N -1 0 347.440 2.661 20 30 EFEDRM CC(C)n1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000786977689 1275608449 /nfs/dbraw/zinc/60/84/49/1275608449.db2.gz CLJQUHGACJGASG-OAHLLOKOSA-N -1 0 344.802 2.756 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cn2ccccc2n1)c1ccccc1 ZINC000787032243 1275620857 /nfs/dbraw/zinc/62/08/57/1275620857.db2.gz QEVUSKNYIPZWLF-CVEARBPZSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1)c1ccccc1 ZINC000787031995 1275621462 /nfs/dbraw/zinc/62/14/62/1275621462.db2.gz OAHFQMNARKSVPO-STQMWFEESA-N -1 0 346.337 2.868 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNC(=S)NC2CCCCC2)c1 ZINC000746680138 1275762983 /nfs/dbraw/zinc/76/29/83/1275762983.db2.gz YHYYWMQATVBGKX-UHFFFAOYSA-N -1 0 349.456 2.671 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000746681525 1275781450 /nfs/dbraw/zinc/78/14/50/1275781450.db2.gz KNQOGOJDQWFWEC-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM C[C@H](Oc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1)C(=O)[O-] ZINC000746684384 1275783234 /nfs/dbraw/zinc/78/32/34/1275783234.db2.gz ONRDNQQYYRSRIK-MDKXCRPYSA-N -1 0 326.304 2.860 20 30 EFEDRM O=C1Nc2cc(F)ccc2C1=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788029498 1276009329 /nfs/dbraw/zinc/00/93/29/1276009329.db2.gz XSOHEQHEHNFRNW-UHFFFAOYSA-N -1 0 340.343 2.508 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)c(Cl)n1 ZINC000788206690 1276090803 /nfs/dbraw/zinc/09/08/03/1276090803.db2.gz YNKIFDSGXJAQCD-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1 ZINC000788375210 1276157003 /nfs/dbraw/zinc/15/70/03/1276157003.db2.gz PRLNMPHFCHAUBX-UHFFFAOYSA-N -1 0 346.452 2.557 20 30 EFEDRM C=C[C@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2O)CCC1 ZINC001062570344 1276272585 /nfs/dbraw/zinc/27/25/85/1276272585.db2.gz VLIBIZDGRJEIEJ-KBPBESRZSA-N -1 0 330.428 2.619 20 30 EFEDRM [O-]c1c(C=NNC2CC2)ccc(Cl)c1I ZINC000788722968 1276280093 /nfs/dbraw/zinc/28/00/93/1276280093.db2.gz IVLCXXPBVDGRLN-UHFFFAOYSA-N -1 0 336.560 2.736 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1coc(-c2c(F)cccc2F)n1 ZINC000817713416 1276289760 /nfs/dbraw/zinc/28/97/60/1276289760.db2.gz CXUIDPHZSCGJQV-JTQLQIEISA-N -1 0 345.305 2.565 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000817714126 1276289984 /nfs/dbraw/zinc/28/99/84/1276289984.db2.gz KOSYKDYVBJQZJI-HNNXBMFYSA-N -1 0 343.383 2.983 20 30 EFEDRM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000789063831 1276472296 /nfs/dbraw/zinc/47/22/96/1276472296.db2.gz WTYDRMNUHWQIBV-UHFFFAOYSA-N -1 0 338.323 2.978 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C(=O)[O-])c1 ZINC000923064286 1276712265 /nfs/dbraw/zinc/71/22/65/1276712265.db2.gz GLNPWXAEZJFQEI-OXJNMPFZSA-N -1 0 340.423 2.829 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000789460574 1276741948 /nfs/dbraw/zinc/74/19/48/1276741948.db2.gz PPGWVTBVBJPKRO-ZDUSSCGKSA-N -1 0 325.430 2.601 20 30 EFEDRM C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000923082375 1276750676 /nfs/dbraw/zinc/75/06/76/1276750676.db2.gz QQPUZZQXHLMHJB-CYBMUJFWSA-N -1 0 330.384 2.801 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000789518709 1276776243 /nfs/dbraw/zinc/77/62/43/1276776243.db2.gz VBSAQSHOLLRROC-UHFFFAOYSA-N -1 0 337.441 2.735 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000789535005 1276789062 /nfs/dbraw/zinc/78/90/62/1276789062.db2.gz UONIFKVEYWVXHX-UHFFFAOYSA-N -1 0 337.441 2.885 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000923112548 1276811361 /nfs/dbraw/zinc/81/13/61/1276811361.db2.gz YGTMSRXNDSZPLP-GOSISDBHSA-N -1 0 329.400 2.728 20 30 EFEDRM COc1cc(C=NN[C@@H](C)c2ccncc2)ccc1OCCC(=O)[O-] ZINC000819816558 1276915688 /nfs/dbraw/zinc/91/56/88/1276915688.db2.gz KYJLNUXIDGVDKB-ZDUSSCGKSA-N -1 0 343.383 2.628 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1OC ZINC000923151732 1277025428 /nfs/dbraw/zinc/02/54/28/1277025428.db2.gz KPPUPQVQCMTGIH-JSGCOSHPSA-N -1 0 333.384 2.585 20 30 EFEDRM C=CC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccncc1 ZINC000789948376 1277111666 /nfs/dbraw/zinc/11/16/66/1277111666.db2.gz QJNCWEMZTFCASZ-STQMWFEESA-N -1 0 343.349 2.518 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000820345459 1277127520 /nfs/dbraw/zinc/12/75/20/1277127520.db2.gz PFZDVZLCNUOMTR-UHFFFAOYSA-N -1 0 336.335 2.508 20 30 EFEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000790000269 1277162222 /nfs/dbraw/zinc/16/22/22/1277162222.db2.gz SNPCMAMJXAVYHN-IWQZZHSRSA-N -1 0 329.333 2.673 20 30 EFEDRM CCc1[nH]nc(C(=O)Nc2cc(C#N)ccc2[O-])c1Br ZINC000790008399 1277180650 /nfs/dbraw/zinc/18/06/50/1277180650.db2.gz YXOLTMDSVYVLLT-UHFFFAOYSA-N -1 0 335.161 2.564 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000820605262 1277264948 /nfs/dbraw/zinc/26/49/48/1277264948.db2.gz HDCZBJKALKQYHB-UHFFFAOYSA-N -1 0 341.477 2.563 20 30 EFEDRM Cc1nnc(NN=Cc2cc(Br)c(Cl)s2)[n-]c1=O ZINC000790148356 1277288204 /nfs/dbraw/zinc/28/82/04/1277288204.db2.gz HFNIOMRKULDZMR-UHFFFAOYSA-N -1 0 348.613 2.809 20 30 EFEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cnnn1-c1ccccc1 ZINC000821007838 1277414831 /nfs/dbraw/zinc/41/48/31/1277414831.db2.gz LKRZRSKBAOTKDT-CLFYSBASSA-N -1 0 336.307 2.777 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000805056973 1277416132 /nfs/dbraw/zinc/41/61/32/1277416132.db2.gz OBJJAQFODYJRSA-AWEZNQCLSA-N -1 0 333.375 2.883 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1c(Cl)n(C)nc1C(F)(F)F ZINC000585129327 1277465958 /nfs/dbraw/zinc/46/59/58/1277465958.db2.gz FYGFEAZPNWYCGC-UHFFFAOYSA-N -1 0 331.747 2.800 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000821156399 1277471656 /nfs/dbraw/zinc/47/16/56/1277471656.db2.gz CLUJIWMRLNBIFQ-UHFFFAOYSA-N -1 0 345.848 2.894 20 30 EFEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000790767424 1277747539 /nfs/dbraw/zinc/74/75/39/1277747539.db2.gz LQKHSZPWODRSMO-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790863547 1277840366 /nfs/dbraw/zinc/84/03/66/1277840366.db2.gz BYZZCNOKRXOXKY-UHFFFAOYSA-N -1 0 348.346 2.962 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000791124390 1277942970 /nfs/dbraw/zinc/94/29/70/1277942970.db2.gz RFQBMWUAPDAFIN-UHFFFAOYSA-N -1 0 348.346 2.762 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]C(=O)CCCCCC#N)cc1C ZINC000805938725 1279050029 /nfs/dbraw/zinc/05/00/29/1279050029.db2.gz UGXFJRIJWNXUNX-UHFFFAOYSA-N -1 0 338.429 2.591 20 30 EFEDRM Cc1c(N=NC2CCN(c3cnccn3)CC2)cccc1C(=O)[O-] ZINC000844628156 1279129880 /nfs/dbraw/zinc/12/98/80/1279129880.db2.gz ZLUTWOJSIXCSSH-UHFFFAOYSA-N -1 0 325.372 2.552 20 30 EFEDRM CCOC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCC1 ZINC000792825654 1279186519 /nfs/dbraw/zinc/18/65/19/1279186519.db2.gz AUMHKKXYGSMLOT-LBPRGKRZSA-N -1 0 336.413 2.520 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000844796463 1279257371 /nfs/dbraw/zinc/25/73/71/1279257371.db2.gz UGYNVHZPFPLPHK-ZNMIVQPWSA-N -1 0 349.493 2.677 20 30 EFEDRM C=CCCn1cc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)nn1 ZINC000871883805 1287338594 /nfs/dbraw/zinc/33/85/94/1287338594.db2.gz YQZZKQCOMPYMDX-HNNXBMFYSA-N -1 0 334.807 2.813 20 30 EFEDRM CC[C@H](NN=C1CCc2cc(Br)cc(C)c21)C(=O)[O-] ZINC000793055675 1279345432 /nfs/dbraw/zinc/34/54/32/1279345432.db2.gz NYXFRBRLAAVLAN-NSHDSACASA-N -1 0 325.206 2.861 20 30 EFEDRM CC[C@@H](NN=C1CCc2c1cc(Br)cc2F)C(=O)[O-] ZINC000793070775 1279353330 /nfs/dbraw/zinc/35/33/30/1279353330.db2.gz DWDZHBITBSKZBV-LLVKDONJSA-N -1 0 329.169 2.691 20 30 EFEDRM CC[C@H](NN=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)[O-] ZINC000793072226 1279357308 /nfs/dbraw/zinc/35/73/08/1279357308.db2.gz MOEVQUMJJUGTPV-KRWDZBQOSA-N -1 0 349.394 2.721 20 30 EFEDRM CC[C@H](NN=C1CCCOc2cc(Br)ccc21)C(=O)[O-] ZINC000793079304 1279360086 /nfs/dbraw/zinc/36/00/86/1279360086.db2.gz QOQDPUXIKVHDCC-NSHDSACASA-N -1 0 341.205 2.779 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000793080485 1279360536 /nfs/dbraw/zinc/36/05/36/1279360536.db2.gz ZOKXEJUWEGABMO-CYBMUJFWSA-N -1 0 347.327 2.650 20 30 EFEDRM CCC(CSc1ccccc1[N+](=O)[O-])=NN[C@H](CC)C(=O)[O-] ZINC000793059195 1279367282 /nfs/dbraw/zinc/36/72/82/1279367282.db2.gz ZMHHJIWODXMAKF-LLVKDONJSA-N -1 0 325.390 2.906 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)CC1 ZINC000793196613 1279439709 /nfs/dbraw/zinc/43/97/09/1279439709.db2.gz YJEHFBPKKPBKQE-UHFFFAOYSA-N -1 0 342.420 2.522 20 30 EFEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793196598 1279440258 /nfs/dbraw/zinc/44/02/58/1279440258.db2.gz UBGVDKGHIBDOFR-CQSZACIVSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1Cl ZINC000793197373 1279441071 /nfs/dbraw/zinc/44/10/71/1279441071.db2.gz PEAUFSNTFPVCTE-UHFFFAOYSA-N -1 0 340.832 2.827 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCCCc2cccs2)CC1 ZINC000793197058 1279441269 /nfs/dbraw/zinc/44/12/69/1279441269.db2.gz ZTKQVKTVMGNQTA-UHFFFAOYSA-N -1 0 340.470 2.601 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccc(C)cc1 ZINC000793204106 1279465636 /nfs/dbraw/zinc/46/56/36/1279465636.db2.gz ONYCTOXCIUMAHX-CQSZACIVSA-N -1 0 334.441 2.629 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CC3(C#N)CC3)CCCC2)c1 ZINC000793212556 1279468009 /nfs/dbraw/zinc/46/80/09/1279468009.db2.gz QGMUTHIZBONLJD-UHFFFAOYSA-N -1 0 346.452 2.557 20 30 EFEDRM CCn1ccc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)n1 ZINC000845438215 1279628913 /nfs/dbraw/zinc/62/89/13/1279628913.db2.gz PCBURRNNVSZPGD-OAHLLOKOSA-N -1 0 334.379 2.827 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1coc2ccc(Cl)cc12 ZINC000845440974 1279633085 /nfs/dbraw/zinc/63/30/85/1279633085.db2.gz WQVTYXHIYBRJRH-GFCCVEGCSA-N -1 0 334.759 2.561 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793402270 1279638898 /nfs/dbraw/zinc/63/88/98/1279638898.db2.gz XOTNQNDGOGSHEJ-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871935947 1287370059 /nfs/dbraw/zinc/37/00/59/1287370059.db2.gz VMLGLNYCWMVCLF-UHFFFAOYSA-N -1 0 338.212 2.888 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845892797 1279915952 /nfs/dbraw/zinc/91/59/52/1279915952.db2.gz LOVLCJDRDQJXBY-UHFFFAOYSA-N -1 0 327.833 2.870 20 30 EFEDRM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1 ZINC000871983249 1287385209 /nfs/dbraw/zinc/38/52/09/1287385209.db2.gz YOCDTZXXPNEFPV-LLVKDONJSA-N -1 0 344.392 2.603 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000846148766 1280037333 /nfs/dbraw/zinc/03/73/33/1280037333.db2.gz CMNMTJQNKMVOLI-UHFFFAOYSA-N -1 0 347.415 2.542 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000846149472 1280037739 /nfs/dbraw/zinc/03/77/39/1280037739.db2.gz NKLMBELMSHZJJC-UHFFFAOYSA-N -1 0 348.346 2.745 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000846152727 1280038851 /nfs/dbraw/zinc/03/88/51/1280038851.db2.gz CLTUOQNCRTUGCU-QMMMGPOBSA-N -1 0 348.346 2.744 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000846152855 1280038859 /nfs/dbraw/zinc/03/88/59/1280038859.db2.gz DOSTVSHJUBWJFP-JTQLQIEISA-N -1 0 330.306 2.742 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000846150151 1280038924 /nfs/dbraw/zinc/03/89/24/1280038924.db2.gz AMCSAVDJKOEUBT-UHFFFAOYSA-N -1 0 346.383 2.681 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000846153538 1280039270 /nfs/dbraw/zinc/03/92/70/1280039270.db2.gz JGTQXFAWGJVSJP-SECBINFHSA-N -1 0 342.342 2.703 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000846153809 1280039539 /nfs/dbraw/zinc/03/95/39/1280039539.db2.gz IKVIUOUMRXHKDO-SECBINFHSA-N -1 0 331.397 2.735 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000846154217 1280039644 /nfs/dbraw/zinc/03/96/44/1280039644.db2.gz LQNKKNOUKDWLRQ-ZDUSSCGKSA-N -1 0 329.400 2.858 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000846153400 1280039680 /nfs/dbraw/zinc/03/96/80/1280039680.db2.gz YFBRIJLWDAYMBY-AWEZNQCLSA-N -1 0 331.416 2.628 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000846145940 1280051719 /nfs/dbraw/zinc/05/17/19/1280051719.db2.gz JCZIVSHTTZHOBS-UHFFFAOYSA-N -1 0 347.198 2.955 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000846146683 1280052907 /nfs/dbraw/zinc/05/29/07/1280052907.db2.gz JNNUQRZUMKYFJY-UHFFFAOYSA-N -1 0 334.372 2.537 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1csc(COc2ccc(F)cc2)n1 ZINC000846263819 1280090547 /nfs/dbraw/zinc/09/05/47/1280090547.db2.gz XUINYPYLIHEULS-UHFFFAOYSA-N -1 0 336.388 2.934 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cccnc2C#N)c1 ZINC000872010274 1287397444 /nfs/dbraw/zinc/39/74/44/1287397444.db2.gz LQEDYWKDZDSSJW-LBPRGKRZSA-N -1 0 331.397 2.931 20 30 EFEDRM Cc1nc(SCC(=O)[N-]OC/C=C/Cl)c(C#N)c(C)c1C ZINC000794288324 1280112017 /nfs/dbraw/zinc/11/20/17/1280112017.db2.gz FZJNTZAOHIZZCP-SNAWJCMRSA-N -1 0 325.821 2.771 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000846540833 1280235918 /nfs/dbraw/zinc/23/59/18/1280235918.db2.gz AUDDAWULUJRCOL-MNOVXSKESA-N -1 0 326.393 2.508 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nncn1-c1ccccc1CC ZINC000846544468 1280237699 /nfs/dbraw/zinc/23/76/99/1280237699.db2.gz RBAXASUCVPKTAR-GFCCVEGCSA-N -1 0 332.429 2.544 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000846545710 1280240771 /nfs/dbraw/zinc/24/07/71/1280240771.db2.gz IPSOVRMJTCUAMM-AWEZNQCLSA-N -1 0 337.441 2.704 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000846549653 1280245892 /nfs/dbraw/zinc/24/58/92/1280245892.db2.gz JNOPSPLZRIZMPT-GXSJLCMTSA-N -1 0 343.210 2.969 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000846552999 1280246618 /nfs/dbraw/zinc/24/66/18/1280246618.db2.gz VCCOAOZPDRTTJE-JOYOIKCWSA-N -1 0 330.837 2.778 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000846555583 1280247908 /nfs/dbraw/zinc/24/79/08/1280247908.db2.gz WPKQBXKSOKUUCF-LBPRGKRZSA-N -1 0 330.384 2.875 20 30 EFEDRM CC(=O)Nc1ccc(CC(=O)Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001144889391 1280365763 /nfs/dbraw/zinc/36/57/63/1280365763.db2.gz MUFMSOJGEHOSPM-UHFFFAOYSA-N -1 0 327.315 2.543 20 30 EFEDRM C=CCCCCCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000805218605 1280491079 /nfs/dbraw/zinc/49/10/79/1280491079.db2.gz GNXSRKFBZQFTFH-UHFFFAOYSA-N -1 0 345.468 2.938 20 30 EFEDRM Cc1c2ccc(F)cc2sc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000805909776 1280866463 /nfs/dbraw/zinc/86/64/63/1280866463.db2.gz GWFDSYXCDYDGKJ-UHFFFAOYSA-N -1 0 340.401 2.712 20 30 EFEDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)CCCCCC#N ZINC000805926773 1280899861 /nfs/dbraw/zinc/89/98/61/1280899861.db2.gz YRHWDVURTPSYFU-UHFFFAOYSA-N -1 0 337.445 2.656 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000806001434 1280938309 /nfs/dbraw/zinc/93/83/09/1280938309.db2.gz KCCWNXFNBPWDTE-UHFFFAOYSA-N -1 0 342.848 2.803 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc3cc[nH]c3cn2)cc1C#N ZINC001130511340 1280978680 /nfs/dbraw/zinc/97/86/80/1280978680.db2.gz NGMAAUQWJPGKFW-UHFFFAOYSA-N -1 0 325.353 2.509 20 30 EFEDRM COC(=O)c1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)o1 ZINC000806561818 1281096007 /nfs/dbraw/zinc/09/60/07/1281096007.db2.gz AJXLKUAGAIDCPV-GDAGCXPBSA-N -1 0 326.304 2.904 20 30 EFEDRM COC(=O)c1occc1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806561784 1281096531 /nfs/dbraw/zinc/09/65/31/1281096531.db2.gz ZVXDUSVMUXAFTM-MSKHEQNASA-N -1 0 326.304 2.904 20 30 EFEDRM O=C([O-])c1csc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)c1 ZINC000806575777 1281101169 /nfs/dbraw/zinc/10/11/69/1281101169.db2.gz MEGTVSMLAFRPGE-PLNGDYQASA-N -1 0 325.349 2.923 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1 ZINC000806637890 1281119379 /nfs/dbraw/zinc/11/93/79/1281119379.db2.gz YXGVZZOFJUQANE-GFCCVEGCSA-N -1 0 342.417 2.633 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1C ZINC000798211091 1281219636 /nfs/dbraw/zinc/21/96/36/1281219636.db2.gz YHCNHKBFLSZPAR-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212275 1281454438 /nfs/dbraw/zinc/45/44/38/1281454438.db2.gz VKSHEOOGHVRYOH-UHFFFAOYSA-N -1 0 332.319 2.679 20 30 EFEDRM COCCOCc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000807943196 1281475235 /nfs/dbraw/zinc/47/52/35/1281475235.db2.gz CRZWTNPBTWDSKI-UHFFFAOYSA-N -1 0 328.368 2.994 20 30 EFEDRM O=C([O-])COc1cccc(CN=Nc2nccnc2C2CCC2)c1 ZINC000807994794 1281486608 /nfs/dbraw/zinc/48/66/08/1281486608.db2.gz ZBLZYBOUYCXNPD-UHFFFAOYSA-N -1 0 326.356 2.654 20 30 EFEDRM CC(N=Nc1nc[nH]n1)c1cc(Br)cc(Cl)c1[O-] ZINC000807995490 1281486681 /nfs/dbraw/zinc/48/66/81/1281486681.db2.gz DRKCFZSQYSSQTL-UHFFFAOYSA-N -1 0 330.573 2.762 20 30 EFEDRM COc1cc(C=NNc2nccnc2C2CCC2)cc([N+](=O)[O-])c1[O-] ZINC000807994733 1281487001 /nfs/dbraw/zinc/48/70/01/1281487001.db2.gz WSQFEGWIYUWUGT-UHFFFAOYSA-N -1 0 343.343 2.813 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)o1 ZINC000808102592 1281536995 /nfs/dbraw/zinc/53/69/95/1281536995.db2.gz HRXAUUFQAWLEFY-LBPRGKRZSA-N -1 0 346.286 2.548 20 30 EFEDRM CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1C#N ZINC001148772674 1281755431 /nfs/dbraw/zinc/75/54/31/1281755431.db2.gz IYPGSDUMKDTDGF-UHFFFAOYSA-N -1 0 348.366 2.778 20 30 EFEDRM C=CC[C@@](C)(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)OC ZINC001148814246 1281771004 /nfs/dbraw/zinc/77/10/04/1281771004.db2.gz RHYSMXKEGGDKEU-CQSZACIVSA-N -1 0 332.183 2.937 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ocnc1C1CC1 ZINC000809003510 1281999714 /nfs/dbraw/zinc/99/97/14/1281999714.db2.gz RKTIFIXUVCUZMC-ZDUSSCGKSA-N -1 0 343.770 2.844 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)nnn1-c1ccccc1 ZINC000809154417 1282067244 /nfs/dbraw/zinc/06/72/44/1282067244.db2.gz UZZGRDMXYBMAPM-NTMALXAHSA-N -1 0 349.346 2.876 20 30 EFEDRM Cc1c(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c(C#N)c2n1CCC2 ZINC000809153741 1282067508 /nfs/dbraw/zinc/06/75/08/1282067508.db2.gz DAZZYYWJFSLGBO-ALCCZGGFSA-N -1 0 336.347 2.914 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cccc(-n3ccnn3)c2)ccc1O ZINC000809156421 1282068714 /nfs/dbraw/zinc/06/87/14/1282068714.db2.gz HCEPZQOVZCQEDK-XQRVVYSFSA-N -1 0 335.319 2.567 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)cc1 ZINC000872351268 1287547437 /nfs/dbraw/zinc/54/74/37/1287547437.db2.gz AYQPPBLTCDGRMR-UHFFFAOYSA-N -1 0 345.424 2.811 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccnn1CC1CCC1 ZINC000872360217 1287551163 /nfs/dbraw/zinc/55/11/63/1287551163.db2.gz DVVJOEUFPMAWDH-UHFFFAOYSA-N -1 0 328.372 2.836 20 30 EFEDRM N#CCc1nn(-c2ccccc2)c(Nc2cncc(C(=O)[O-])c2)c1C#N ZINC001175841044 1287559971 /nfs/dbraw/zinc/55/99/71/1287559971.db2.gz LXIKGBAWIUQJPK-UHFFFAOYSA-N -1 0 344.334 2.647 20 30 EFEDRM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc(O)cc(C#N)c1 ZINC000809541909 1282277692 /nfs/dbraw/zinc/27/76/92/1282277692.db2.gz QAAVWAKIEPEPTA-UHFFFAOYSA-N -1 0 343.770 2.628 20 30 EFEDRM COc1ccc(C=NNC[C@@H]2CCCC2(F)F)c(OCC(=O)[O-])c1 ZINC000872407737 1287566260 /nfs/dbraw/zinc/56/62/60/1287566260.db2.gz BYNDSCMGUAZTEB-LBPRGKRZSA-N -1 0 342.342 2.518 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNC[C@@H]2CCCC2(F)F)c1 ZINC000872408486 1287566314 /nfs/dbraw/zinc/56/63/14/1287566314.db2.gz YPQSMDCGMVEPIL-ZDUSSCGKSA-N -1 0 326.343 2.899 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNC[C@@H]2CCCC2(F)F)c1)C(=O)[O-] ZINC000872407842 1287566560 /nfs/dbraw/zinc/56/65/60/1287566560.db2.gz FDGUCXIMQLFDHQ-YPMHNXCESA-N -1 0 326.343 2.897 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1C#N ZINC000872415797 1287570282 /nfs/dbraw/zinc/57/02/82/1287570282.db2.gz SGNAFVOGYIHTIS-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)cc1C#N ZINC000872416216 1287571286 /nfs/dbraw/zinc/57/12/86/1287571286.db2.gz VQDUSPHIBRBTJU-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM C[C@@H]1Sc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2NC1=O ZINC000748003273 1287582599 /nfs/dbraw/zinc/58/25/99/1287582599.db2.gz DZLGGDVRZUOAKZ-VIFPVBQESA-N -1 0 339.376 2.949 20 30 EFEDRM COc1ccc(-c2nsc([N-]C(=O)c3ccc(C#N)o3)n2)cc1 ZINC000815549703 1287589815 /nfs/dbraw/zinc/58/98/15/1287589815.db2.gz PCNPFKDPAMGOQO-UHFFFAOYSA-N -1 0 326.337 2.931 20 30 EFEDRM Cc1ccc(-c2n[nH]cc2C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000810197757 1283032308 /nfs/dbraw/zinc/03/23/08/1283032308.db2.gz UTBDZHYTQITXBH-OZSKJFCKSA-N -1 0 336.347 2.613 20 30 EFEDRM Cc1ccc(-c2n[nH]cc2C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000810197758 1283032328 /nfs/dbraw/zinc/03/23/28/1283032328.db2.gz UTBDZHYTQITXBH-QWPQOLDESA-N -1 0 336.347 2.613 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c(Cl)c1 ZINC000810530122 1283322988 /nfs/dbraw/zinc/32/29/88/1283322988.db2.gz WLCJGJFLBKPYOX-GFCCVEGCSA-N -1 0 336.819 2.723 20 30 EFEDRM Cc1ccc2sc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc2c1 ZINC000810657036 1283435983 /nfs/dbraw/zinc/43/59/83/1283435983.db2.gz ROIORPSINMYZBY-UHFFFAOYSA-N -1 0 336.438 2.819 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sc(-c2ccccc2C)nc1C ZINC000810780917 1283586041 /nfs/dbraw/zinc/58/60/41/1283586041.db2.gz WWLTXLRKHQCFLA-UHFFFAOYSA-N -1 0 348.449 2.510 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC000810782041 1283586380 /nfs/dbraw/zinc/58/63/80/1283586380.db2.gz GSJNNFVJYSANKU-MDZDMXLPSA-N -1 0 346.235 2.866 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1CCc1ccccc1 ZINC000810782458 1283586490 /nfs/dbraw/zinc/58/64/90/1283586490.db2.gz PSGKXQFQUVSEEZ-UHFFFAOYSA-N -1 0 341.432 2.555 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C1(c2ccccc2C)CCCCC1 ZINC000810786041 1283587616 /nfs/dbraw/zinc/58/76/16/1283587616.db2.gz YFHULJBMSOLTNK-UHFFFAOYSA-N -1 0 333.453 2.666 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000810786477 1283587754 /nfs/dbraw/zinc/58/77/54/1283587754.db2.gz KGYPQHRHRQMCTF-UHFFFAOYSA-N -1 0 349.358 2.715 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000810785501 1283587878 /nfs/dbraw/zinc/58/78/78/1283587878.db2.gz JQJHYNPOIBSBKA-HZPDHXFCSA-N -1 0 343.489 2.611 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000810786687 1283588088 /nfs/dbraw/zinc/58/80/88/1283588088.db2.gz SQWWJPYIQICOPH-UHFFFAOYSA-N -1 0 349.452 2.729 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1SCC ZINC000810771107 1283622637 /nfs/dbraw/zinc/62/26/37/1283622637.db2.gz FWHNLPFUULWKGO-UHFFFAOYSA-N -1 0 331.846 2.535 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000810774455 1283633198 /nfs/dbraw/zinc/63/31/98/1283633198.db2.gz ZZRKTCCUOIQFHB-UHFFFAOYSA-N -1 0 341.860 2.768 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000810777345 1283633316 /nfs/dbraw/zinc/63/33/16/1283633316.db2.gz FDYBICVIQOEGCK-UHFFFAOYSA-N -1 0 348.449 2.510 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000810777390 1283633332 /nfs/dbraw/zinc/63/33/32/1283633332.db2.gz BGHUVACAKQCWCT-VXGBXAGGSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCc1csc2ccccc12 ZINC000810775852 1283634185 /nfs/dbraw/zinc/63/41/85/1283634185.db2.gz WVDXLEUTHZRWDE-UHFFFAOYSA-N -1 0 335.450 2.693 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(C)cc1 ZINC000810776246 1283634603 /nfs/dbraw/zinc/63/46/03/1283634603.db2.gz LLCJFGBWONQORY-UHFFFAOYSA-N -1 0 333.434 2.806 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1occc1CSc1ccccc1 ZINC000810777973 1283639056 /nfs/dbraw/zinc/63/90/56/1283639056.db2.gz SJLOHSDJTIOSMQ-UHFFFAOYSA-N -1 0 349.433 2.655 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000810777905 1283639861 /nfs/dbraw/zinc/63/98/61/1283639861.db2.gz QMAJINYLCOIWNC-UHFFFAOYSA-N -1 0 347.436 2.876 20 30 EFEDRM COc1cc(C)nc([N-]N=C2c3cc(C(C)C)ccc3NC2=O)n1 ZINC000747634723 1283669395 /nfs/dbraw/zinc/66/93/95/1283669395.db2.gz NVRISOACDFDKFL-UHFFFAOYSA-N -1 0 325.372 2.685 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCSCc2ccccc2)CC1 ZINC000810981314 1283874708 /nfs/dbraw/zinc/87/47/08/1283874708.db2.gz PVKQYWXYFNNELJ-UHFFFAOYSA-N -1 0 339.482 2.865 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(F)c(SC)c2)CC1 ZINC000810983522 1283907117 /nfs/dbraw/zinc/90/71/17/1283907117.db2.gz CQCDTBNVIDRJIB-UHFFFAOYSA-N -1 0 329.418 2.716 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(C)cc2)CC1 ZINC000810983889 1283907145 /nfs/dbraw/zinc/90/71/45/1283907145.db2.gz KQIJTDKKQAEOGM-UHFFFAOYSA-N -1 0 335.425 2.513 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ncoc2-c2ccc(C)cc2)CC1 ZINC000810982299 1283907246 /nfs/dbraw/zinc/90/72/46/1283907246.db2.gz NOWGFZFWAYEDNS-UHFFFAOYSA-N -1 0 346.408 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000810983787 1283907659 /nfs/dbraw/zinc/90/76/59/1283907659.db2.gz ZFHPVAHWKAFTRI-UHFFFAOYSA-N -1 0 339.844 2.926 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCOc2ccc(F)cc2)CC1 ZINC000810982435 1283907718 /nfs/dbraw/zinc/90/77/18/1283907718.db2.gz QTYMVENPIAFHOP-UHFFFAOYSA-N -1 0 341.404 2.539 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCCc2sccc2C)CC1 ZINC000810983309 1283908589 /nfs/dbraw/zinc/90/85/89/1283908589.db2.gz PMEVIZDHHHTRQG-UHFFFAOYSA-N -1 0 327.471 2.934 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000810983160 1283909332 /nfs/dbraw/zinc/90/93/32/1283909332.db2.gz JXZIUNQDKQHKTG-LLVKDONJSA-N -1 0 327.833 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccc(Cl)s2)CC1 ZINC000810982972 1283910437 /nfs/dbraw/zinc/91/04/37/1283910437.db2.gz BKJJNAHYCJDKLO-UHFFFAOYSA-N -1 0 333.862 2.889 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC000810984606 1283911745 /nfs/dbraw/zinc/91/17/45/1283911745.db2.gz IPNSQAXJCVTGCM-SNVBAGLBSA-N -1 0 329.368 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2csc3ccccc23)CC1 ZINC000810985939 1283913210 /nfs/dbraw/zinc/91/32/10/1283913210.db2.gz VEIOJXMNHPNDKQ-UHFFFAOYSA-N -1 0 335.450 2.999 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2sc(CCC)nc2C)CC1 ZINC000810985389 1283913268 /nfs/dbraw/zinc/91/32/68/1283913268.db2.gz KCVAFROGIBONGI-UHFFFAOYSA-N -1 0 328.459 2.572 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000810985498 1283913891 /nfs/dbraw/zinc/91/38/91/1283913891.db2.gz NMGIAOQOPPXDRR-VXGBXAGGSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2sc(CC(C)C)nc2C)CC1 ZINC000810985587 1283914222 /nfs/dbraw/zinc/91/42/22/1283914222.db2.gz BNMRYQOTSMIWIA-UHFFFAOYSA-N -1 0 342.486 2.818 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3sccc32)CC1 ZINC000810986221 1283915288 /nfs/dbraw/zinc/91/52/88/1283915288.db2.gz RFLFKFCFRAIQRP-LBPRGKRZSA-N -1 0 325.455 2.723 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2ccc(Cl)cc2C)CC1 ZINC000810986118 1283915499 /nfs/dbraw/zinc/91/54/99/1283915499.db2.gz YZKNHYRMNGNNJZ-UHFFFAOYSA-N -1 0 343.832 2.582 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCc2ccccc2F)CC1 ZINC000810987884 1283915523 /nfs/dbraw/zinc/91/55/23/1283915523.db2.gz CYEZGHIEVHYZAO-CYBMUJFWSA-N -1 0 339.432 2.949 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)CCC1 ZINC000811211102 1284120984 /nfs/dbraw/zinc/12/09/84/1284120984.db2.gz FKXQNATXNKBMCK-UHFFFAOYSA-N -1 0 347.436 2.757 20 30 EFEDRM CCc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccc1O ZINC000811305241 1284201008 /nfs/dbraw/zinc/20/10/08/1284201008.db2.gz IUFSGIOAPGFXKN-CYBMUJFWSA-N -1 0 344.392 2.753 20 30 EFEDRM NC(=O)Cc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000811624716 1284441446 /nfs/dbraw/zinc/44/14/46/1284441446.db2.gz OKWQYHNSRBACMF-DJKKODMXSA-N -1 0 347.758 2.601 20 30 EFEDRM C[C@H](COc1ccccc1)NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000811665710 1284495067 /nfs/dbraw/zinc/49/50/67/1284495067.db2.gz SJTWUPMKIJVWSF-CQSZACIVSA-N -1 0 328.368 2.541 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(O)cc(C(F)(F)F)c2)C(=O)O1 ZINC000811684669 1284512820 /nfs/dbraw/zinc/51/28/20/1284512820.db2.gz AKEFIPFZMCWTMP-PYLYLYNFSA-N -1 0 340.253 2.639 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(O)cc(C(F)(F)F)c2)C(=O)O1 ZINC000811684670 1284512931 /nfs/dbraw/zinc/51/29/31/1284512931.db2.gz AKEFIPFZMCWTMP-SFAKSCPVSA-N -1 0 340.253 2.639 20 30 EFEDRM CCOC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])c(C)[nH]2)cc1C ZINC000812229216 1284955649 /nfs/dbraw/zinc/95/56/49/1284955649.db2.gz AXVVATFDZCISDM-UHFFFAOYSA-N -1 0 329.356 2.952 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c(C(F)F)n1 ZINC000812240656 1284996573 /nfs/dbraw/zinc/99/65/73/1284996573.db2.gz PTYAQJKIRSLYRD-WAYWQWQTSA-N -1 0 336.294 2.717 20 30 EFEDRM O=C1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1F ZINC000812444953 1285139853 /nfs/dbraw/zinc/13/98/53/1285139853.db2.gz PVXWWVMKXLQYLS-BFNDQCEFSA-N -1 0 343.314 2.664 20 30 EFEDRM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000812490471 1285176239 /nfs/dbraw/zinc/17/62/39/1285176239.db2.gz GLTCMVPHMKVXGI-SREVYHEPSA-N -1 0 334.759 2.741 20 30 EFEDRM CCOC(=O)Nc1scnc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000813500387 1285969806 /nfs/dbraw/zinc/96/98/06/1285969806.db2.gz DKWJRQIKOUWQQW-UHFFFAOYSA-N -1 0 332.341 2.541 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C ZINC000813955147 1286205818 /nfs/dbraw/zinc/20/58/18/1286205818.db2.gz BGQAOFORESNQGQ-UHFFFAOYSA-N -1 0 329.466 2.674 20 30 EFEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000813982522 1286231402 /nfs/dbraw/zinc/23/14/02/1286231402.db2.gz LSVIGZRFLQLMDL-UHFFFAOYSA-N -1 0 349.456 2.755 20 30 EFEDRM CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Nn1c(=O)[n-][nH]c1=O ZINC000814231618 1286428183 /nfs/dbraw/zinc/42/81/83/1286428183.db2.gz AXJBMLBWYFJPJS-UHFFFAOYSA-N -1 0 346.778 2.534 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814684916 1286896465 /nfs/dbraw/zinc/89/64/65/1286896465.db2.gz JWWKHVWQNMNJOA-UHFFFAOYSA-N -1 0 336.304 2.936 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001174252562 1286938514 /nfs/dbraw/zinc/93/85/14/1286938514.db2.gz LGJBTBDZZUHTJJ-UHFFFAOYSA-N -1 0 349.437 2.853 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCCCSCC#N)n2)c1 ZINC000805558158 1286947337 /nfs/dbraw/zinc/94/73/37/1286947337.db2.gz SIWKIHDYEDLNPT-UHFFFAOYSA-N -1 0 349.387 2.829 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@H]1CCCC[C@H]1C ZINC000814729942 1286953287 /nfs/dbraw/zinc/95/32/87/1286953287.db2.gz GTZWMILGEFMTFV-LPWJVIDDSA-N -1 0 325.478 2.906 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)N[C@@H]1CCCC[C@H]1C ZINC000814729939 1286953549 /nfs/dbraw/zinc/95/35/49/1286953549.db2.gz GTZWMILGEFMTFV-FDYHWXHSSA-N -1 0 325.478 2.906 20 30 EFEDRM N#Cc1c([O-])csc1Nc1ccc(OCCN2CCOCC2)cc1 ZINC001174431833 1287003408 /nfs/dbraw/zinc/00/34/08/1287003408.db2.gz JQZWZRGWYDGYCR-UHFFFAOYSA-N -1 0 345.424 2.780 20 30 EFEDRM O=C([O-])c1cccc(C=Nn2cnc3ccccc3c2=O)c1Cl ZINC000814767546 1287011504 /nfs/dbraw/zinc/01/15/04/1287011504.db2.gz LLLBZHJOZVYTGX-UHFFFAOYSA-N -1 0 327.727 2.630 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)NCc1ccc(F)cc1 ZINC000814785931 1287036889 /nfs/dbraw/zinc/03/68/89/1287036889.db2.gz OAYHGVTZOIEEJH-CMPLNLGQSA-N -1 0 337.420 2.667 20 30 EFEDRM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814805838 1287074798 /nfs/dbraw/zinc/07/47/98/1287074798.db2.gz JKLRBKVIBPQUJZ-NSHDSACASA-N -1 0 344.327 2.678 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1 ZINC000814831684 1287078172 /nfs/dbraw/zinc/07/81/72/1287078172.db2.gz MWVKJMAQBXCWQR-AAEUAGOBSA-N -1 0 329.425 2.831 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)Nc1ccc(N(C)C)cc1 ZINC000814838751 1287086418 /nfs/dbraw/zinc/08/64/18/1287086418.db2.gz AGFBSEPAIQPIBL-NEPJUHHUSA-N -1 0 348.472 2.916 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2ccc(N(C)C)cc2)CC[C@H]1CC(=O)[O-] ZINC000814838314 1287086454 /nfs/dbraw/zinc/08/64/54/1287086454.db2.gz JESKFEVOJNMBCM-NEPJUHHUSA-N -1 0 348.472 2.916 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNC1CCOCC1 ZINC000814869834 1287109806 /nfs/dbraw/zinc/10/98/06/1287109806.db2.gz XVYSGJMWEOGSOI-CQSZACIVSA-N -1 0 334.416 2.616 20 30 EFEDRM COc1cc(Nc2c(C#N)cnn2-c2ccccn2)ccc1C(=O)[O-] ZINC001174683418 1287112038 /nfs/dbraw/zinc/11/20/38/1287112038.db2.gz XMBUFJOIYOFHLM-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM C[C@@H]1C(N=Nc2cc(Cl)nc(N)n2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814899062 1287140208 /nfs/dbraw/zinc/14/02/08/1287140208.db2.gz GTLIWGLKZRAQNQ-HTQZYQBOSA-N -1 0 325.800 2.637 20 30 EFEDRM C[C@@H]1C(N=Nc2cc(Cl)nc(N)n2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814899065 1287140570 /nfs/dbraw/zinc/14/05/70/1287140570.db2.gz GTLIWGLKZRAQNQ-SFYZADRCSA-N -1 0 325.800 2.637 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNCC(F)(F)F ZINC000814904685 1287144848 /nfs/dbraw/zinc/14/48/48/1287144848.db2.gz UUPFINKQPDHYKB-LLVKDONJSA-N -1 0 332.322 2.999 20 30 EFEDRM CC(=NNCC(C)(C)CO)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814922393 1287155610 /nfs/dbraw/zinc/15/56/10/1287155610.db2.gz GZJMVMZFVKMOCM-UHFFFAOYSA-N -1 0 332.400 2.700 20 30 EFEDRM CC(=NNCCc1ccccn1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814924953 1287157764 /nfs/dbraw/zinc/15/77/64/1287157764.db2.gz IWWROLGUFLYLMS-UHFFFAOYSA-N -1 0 341.411 2.882 20 30 EFEDRM COc1cc(C(C)N=Nc2cncnc2)ccc1OCCCC(=O)[O-] ZINC000814926740 1287160068 /nfs/dbraw/zinc/16/00/68/1287160068.db2.gz HWIZWRNHRGBASP-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)N=Nc1cncnc1 ZINC000814926726 1287160125 /nfs/dbraw/zinc/16/01/25/1287160125.db2.gz GSDOFPBBWOYXDE-ZDUSSCGKSA-N -1 0 328.372 2.749 20 30 EFEDRM CCC(=NN[C@@H]1CCOC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814917899 1287174146 /nfs/dbraw/zinc/17/41/46/1287174146.db2.gz VROKMRRPUHPBBU-OAHLLOKOSA-N -1 0 334.416 2.813 20 30 EFEDRM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1nc(-c2cccnc2)no1 ZINC000814949892 1287180591 /nfs/dbraw/zinc/18/05/91/1287180591.db2.gz XQAGJJQYSUHYPK-UHFFFAOYSA-N -1 0 334.339 2.517 20 30 EFEDRM O=C([O-])CNN=C(Cc1ccc(Br)cc1)C(F)(F)F ZINC000814958590 1287187317 /nfs/dbraw/zinc/18/73/17/1287187317.db2.gz DIAUDRYYVGHQFL-UHFFFAOYSA-N -1 0 339.111 2.584 20 30 EFEDRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NNCC(=O)[O-])cc1 ZINC000814960924 1287188523 /nfs/dbraw/zinc/18/85/23/1287188523.db2.gz TUBFPXJZUQHGQK-UHFFFAOYSA-N -1 0 348.406 2.915 20 30 EFEDRM CCc1sc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Br ZINC000815909384 1287879140 /nfs/dbraw/zinc/87/91/40/1287879140.db2.gz YMXSTFJCOOTNCM-QMMMGPOBSA-N -1 0 341.230 2.674 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000815915793 1287906188 /nfs/dbraw/zinc/90/61/88/1287906188.db2.gz ZKCJPRXGKHPZEC-RDBSUJKOSA-N -1 0 342.395 2.746 20 30 EFEDRM N#Cc1c([O-])csc1Nc1cc(C(=O)N2CCOCC2)ccc1F ZINC001176247638 1287916214 /nfs/dbraw/zinc/91/62/14/1287916214.db2.gz UCHWJNNUTGYTRS-UHFFFAOYSA-N -1 0 347.371 2.680 20 30 EFEDRM COc1nonc1[N-]c1ccc(S(=O)(=O)OCC(C)(C)C)cc1 ZINC001176261029 1287932810 /nfs/dbraw/zinc/93/28/10/1287932810.db2.gz XTUGETORXHRXPX-UHFFFAOYSA-N -1 0 341.389 2.573 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816107736 1287977488 /nfs/dbraw/zinc/97/74/88/1287977488.db2.gz PCDYZEJRCIJSJF-GOEBONIOSA-N -1 0 339.457 2.811 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000816088906 1287979129 /nfs/dbraw/zinc/97/91/29/1287979129.db2.gz ZKLCOPZVVSZFQJ-UHFFFAOYSA-N -1 0 349.321 2.765 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816106769 1287988157 /nfs/dbraw/zinc/98/81/57/1287988157.db2.gz UOBUWFNMFXKZFM-MRXNPFEDSA-N -1 0 346.408 2.917 20 30 EFEDRM N#Cc1cnn(-c2ccccn2)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581179 1288023899 /nfs/dbraw/zinc/02/38/99/1288023899.db2.gz JPAVXMFRQNIEPI-UHFFFAOYSA-N -1 0 345.362 2.999 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])cnc1C(F)(F)F ZINC000816426381 1288126959 /nfs/dbraw/zinc/12/69/59/1288126959.db2.gz GQMIJMFILSYWII-UHFFFAOYSA-N -1 0 342.664 2.978 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccco2)c([O-])cc1F ZINC001177622439 1288494601 /nfs/dbraw/zinc/49/46/01/1288494601.db2.gz NFHNEUDUMRKMIU-HNNXBMFYSA-N -1 0 329.331 2.599 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000794723815 1303026105 /nfs/dbraw/zinc/02/61/05/1303026105.db2.gz LHBCHWWEPIMYAM-AATRIKPKSA-N -1 0 346.360 2.894 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821548834 1288741025 /nfs/dbraw/zinc/74/10/25/1288741025.db2.gz AMWXDGHCAREKGO-UHFFFAOYSA-N -1 0 327.833 2.522 20 30 EFEDRM C#CCOCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825625435 1289370606 /nfs/dbraw/zinc/37/06/06/1289370606.db2.gz BKGVKMOXHJGAMQ-UHFFFAOYSA-N -1 0 331.246 2.602 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872839152 1289416192 /nfs/dbraw/zinc/41/61/92/1289416192.db2.gz OCMGDQIVDKAKMW-UHFFFAOYSA-N -1 0 336.413 2.880 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)C(C)(C)SCC(=O)[O-] ZINC000872909022 1289457490 /nfs/dbraw/zinc/45/74/90/1289457490.db2.gz BPNCNIGJOUQEFD-UHFFFAOYSA-N -1 0 325.405 2.937 20 30 EFEDRM N#Cc1ncc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1C(F)(F)F ZINC001180433343 1289521618 /nfs/dbraw/zinc/52/16/18/1289521618.db2.gz CEEDHGFYENHOKN-UHFFFAOYSA-N -1 0 341.289 2.946 20 30 EFEDRM CCCCCCC[C@@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001181132876 1289717109 /nfs/dbraw/zinc/71/71/09/1289717109.db2.gz LDWSLMLGEOLREP-LLVKDONJSA-N -1 0 338.495 2.655 20 30 EFEDRM C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873583514 1289943198 /nfs/dbraw/zinc/94/31/98/1289943198.db2.gz REQLRVIRKJPWES-UHFFFAOYSA-N -1 0 337.441 2.817 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCC1 ZINC000817554337 1289960059 /nfs/dbraw/zinc/96/00/59/1289960059.db2.gz GUPKDJADDCDOCP-OAHLLOKOSA-N -1 0 345.399 2.896 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccccc2)c([O-])cc1F ZINC001181933223 1290001654 /nfs/dbraw/zinc/00/16/54/1290001654.db2.gz CTFDQJPRTDQHQS-HNNXBMFYSA-N -1 0 339.326 2.537 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1 ZINC000091436779 1290054980 /nfs/dbraw/zinc/05/49/80/1290054980.db2.gz DORYYZZJAYBAPO-UHFFFAOYSA-N -1 0 341.392 2.781 20 30 EFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cccs2)c(-c2ccccc2)n1 ZINC000091436907 1290055232 /nfs/dbraw/zinc/05/52/32/1290055232.db2.gz FRPADPVWDYORQI-UHFFFAOYSA-N -1 0 347.421 2.842 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001232673134 1312757457 /nfs/dbraw/zinc/75/74/57/1312757457.db2.gz ARLXKAIPXCHTBP-SFHVURJKSA-N -1 0 336.391 2.972 20 30 EFEDRM C[C@H]1CN(Cc2cc(C#N)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001232673199 1312757591 /nfs/dbraw/zinc/75/75/91/1312757591.db2.gz CCASKWGSCZFHAN-ZDUSSCGKSA-N -1 0 331.416 2.705 20 30 EFEDRM CCOc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000091699293 1290333533 /nfs/dbraw/zinc/33/35/33/1290333533.db2.gz CSWGIQZUBUDOES-UHFFFAOYSA-N -1 0 338.360 2.621 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@H]1CCCN1Cc1ccccc1 ZINC000091868131 1290574353 /nfs/dbraw/zinc/57/43/53/1290574353.db2.gz MFSLITYNBQDLHM-MRXNPFEDSA-N -1 0 336.457 2.880 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)cc1 ZINC000092313591 1290676695 /nfs/dbraw/zinc/67/66/95/1290676695.db2.gz ILWCUTBSNVFIEM-UHFFFAOYSA-N -1 0 335.429 2.720 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)ccc1Cl ZINC001185499589 1290691808 /nfs/dbraw/zinc/69/18/08/1290691808.db2.gz KELAENCZMALTQA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1F ZINC001185906417 1290782477 /nfs/dbraw/zinc/78/24/77/1290782477.db2.gz UCKKUNUTVWACLG-UHFFFAOYSA-N -1 0 333.340 2.614 20 30 EFEDRM CCCCCCCS(=O)(=O)NCCc1ccccc1C(=O)[O-] ZINC000903522719 1312809296 /nfs/dbraw/zinc/80/92/96/1312809296.db2.gz MCPDZRRAAQYKKH-UHFFFAOYSA-N -1 0 327.446 2.817 20 30 EFEDRM N#Cc1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185954495 1290789750 /nfs/dbraw/zinc/78/97/50/1290789750.db2.gz GFVNGRGJUBLTQF-UHFFFAOYSA-N -1 0 338.348 2.982 20 30 EFEDRM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3nsnc3c2)c1 ZINC001186261022 1290915904 /nfs/dbraw/zinc/91/59/04/1290915904.db2.gz GWPSVZIXIVAACU-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186263226 1290917137 /nfs/dbraw/zinc/91/71/37/1290917137.db2.gz OVMNCAYIDWHMHX-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc(F)c(F)c([O-])c3F)c21 ZINC001186771402 1291017888 /nfs/dbraw/zinc/01/78/88/1291017888.db2.gz VYEMEQKQXRIXQI-UHFFFAOYSA-N -1 0 332.241 2.810 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C#N)c1C ZINC001186892271 1291036085 /nfs/dbraw/zinc/03/60/85/1291036085.db2.gz VUTHFWXVQZIIKF-UHFFFAOYSA-N -1 0 347.421 2.532 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)c1ccco1 ZINC001186855783 1291038882 /nfs/dbraw/zinc/03/88/82/1291038882.db2.gz GKPMKXWPPOBGAQ-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM Cc1oncc1S(=O)(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001187376082 1291153781 /nfs/dbraw/zinc/15/37/81/1291153781.db2.gz KOBXTHSXVVFIHE-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1nc(OC)nc(OC)c1C ZINC001188001813 1291283602 /nfs/dbraw/zinc/28/36/02/1291283602.db2.gz QSNLMHZJXFKEIV-UHFFFAOYSA-N -1 0 345.465 2.904 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(C#N)c1 ZINC001188039707 1291285967 /nfs/dbraw/zinc/28/59/67/1291285967.db2.gz IFKJETVLYOSRJE-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1cnc(CNC(=O)c2ccc([O-])c(C(F)(F)F)c2)s1 ZINC001188588829 1291429857 /nfs/dbraw/zinc/42/98/57/1291429857.db2.gz WADIGLQHJZXMLC-UHFFFAOYSA-N -1 0 327.287 2.669 20 30 EFEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)CC3CC3)n2)s1 ZINC001188938797 1291519768 /nfs/dbraw/zinc/51/97/68/1291519768.db2.gz WUBQAOIKXJCJCC-UHFFFAOYSA-N -1 0 325.440 2.895 20 30 EFEDRM N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)CC1CC1 ZINC001188973668 1291532625 /nfs/dbraw/zinc/53/26/25/1291532625.db2.gz KQYXMIJUVSXHHZ-UHFFFAOYSA-N -1 0 333.182 2.612 20 30 EFEDRM C=C(C)CNS(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189047573 1291562740 /nfs/dbraw/zinc/56/27/40/1291562740.db2.gz NITMQRBITYAMLG-UHFFFAOYSA-N -1 0 326.162 2.582 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c1 ZINC001189196464 1291607676 /nfs/dbraw/zinc/60/76/76/1291607676.db2.gz DNIGQTNUVQPPSB-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1 ZINC001189232937 1291625794 /nfs/dbraw/zinc/62/57/94/1291625794.db2.gz VINRZZINWKKUHZ-UHFFFAOYSA-N -1 0 339.376 2.742 20 30 EFEDRM N#CC1=C([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)SCC1=O ZINC001189275305 1291662878 /nfs/dbraw/zinc/66/28/78/1291662878.db2.gz UGDBCQAKMHBQDX-UHFFFAOYSA-N -1 0 330.337 2.545 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1 ZINC001189308550 1291666688 /nfs/dbraw/zinc/66/66/88/1291666688.db2.gz FXRTVTGMEJEQBW-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309117 1291666726 /nfs/dbraw/zinc/66/67/26/1291666726.db2.gz JKGRBFFLPWRARE-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c(C#N)c1 ZINC001189319737 1291672144 /nfs/dbraw/zinc/67/21/44/1291672144.db2.gz WRIGHDJCGNJJMT-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357652 1291703711 /nfs/dbraw/zinc/70/37/11/1291703711.db2.gz XFYXWZNOIQLIHU-UHFFFAOYSA-N -1 0 327.340 2.551 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1C#N ZINC001189417588 1291718554 /nfs/dbraw/zinc/71/85/54/1291718554.db2.gz WHMQNPCKMKHTFL-UHFFFAOYSA-N -1 0 329.353 2.543 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000775246371 1291719778 /nfs/dbraw/zinc/71/97/78/1291719778.db2.gz SWBGZCQBCGGKJE-LSDHHAIUSA-N -1 0 333.494 2.998 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189426257 1291722161 /nfs/dbraw/zinc/72/21/61/1291722161.db2.gz RIRORFNNSGJTMB-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM CCCn1ccc2cc(NC(=O)N[C@@H]3CCCN(O)C3=O)ccc21 ZINC000878612075 1291734433 /nfs/dbraw/zinc/73/44/33/1291734433.db2.gz GFNPJEYUENLMHP-CQSZACIVSA-N -1 0 330.388 2.553 20 30 EFEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000775284110 1291797340 /nfs/dbraw/zinc/79/73/40/1291797340.db2.gz JYBNASQVCYOKIG-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM CC[C@@H](C#N)Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000127378297 1291833391 /nfs/dbraw/zinc/83/33/91/1291833391.db2.gz IJNKLURGIOBNNK-LBPRGKRZSA-N -1 0 326.381 2.711 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000775305441 1291837981 /nfs/dbraw/zinc/83/79/81/1291837981.db2.gz CYVGZANBSUSLSZ-UHFFFAOYSA-N -1 0 341.429 2.971 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189789243 1291862508 /nfs/dbraw/zinc/86/25/08/1291862508.db2.gz ITMBYPLHKFYMJY-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)CCCF ZINC001189919835 1291918887 /nfs/dbraw/zinc/91/88/87/1291918887.db2.gz OKOPLJARZYRKDR-UHFFFAOYSA-N -1 0 326.271 2.558 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)cn1 ZINC001189957578 1291947677 /nfs/dbraw/zinc/94/76/77/1291947677.db2.gz SNCVZMQAPPFIMQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC001189957026 1291947726 /nfs/dbraw/zinc/94/77/26/1291947726.db2.gz IJFRHAMLLTUCDU-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)ccc1F ZINC001190097452 1291984386 /nfs/dbraw/zinc/98/43/86/1291984386.db2.gz XNVLJNSYAPEFLH-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c2cccnc12 ZINC001190189325 1292025369 /nfs/dbraw/zinc/02/53/69/1292025369.db2.gz CYXMZJKGGXHDBJ-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127678095 1292076574 /nfs/dbraw/zinc/07/65/74/1292076574.db2.gz PXFMTMDZXRVQBL-RYUDHWBXSA-N -1 0 335.429 2.623 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC001190295326 1292111070 /nfs/dbraw/zinc/11/10/70/1292111070.db2.gz AFUKMBHMGGAWPV-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190358759 1292135653 /nfs/dbraw/zinc/13/56/53/1292135653.db2.gz QKIWRMLFABIWCZ-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190387679 1292142432 /nfs/dbraw/zinc/14/24/32/1292142432.db2.gz KWPFYWZMXRJOSK-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190395722 1292147974 /nfs/dbraw/zinc/14/79/74/1292147974.db2.gz ROYQCUDANBIDIL-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(OC3COC3)c(F)c2)c([O-])cc1F ZINC001190476193 1292176974 /nfs/dbraw/zinc/17/69/74/1292176974.db2.gz VJWZMAVVMVHRKS-UHFFFAOYSA-N -1 0 346.289 2.572 20 30 EFEDRM CCOc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(C)n1 ZINC001190617964 1292229166 /nfs/dbraw/zinc/22/91/66/1292229166.db2.gz WUVGVYNYSBRPJA-UHFFFAOYSA-N -1 0 335.360 2.600 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2snc3cccnc32)c1 ZINC001190619327 1292229356 /nfs/dbraw/zinc/22/93/56/1292229356.db2.gz HSUBXQXWUPJMLI-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC001190608600 1292247813 /nfs/dbraw/zinc/24/78/13/1292247813.db2.gz VTGNPZYXZSVSSX-UHFFFAOYSA-N -1 0 348.355 2.659 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)c1 ZINC001190650230 1292264882 /nfs/dbraw/zinc/26/48/82/1292264882.db2.gz AFHFDSNWPLYHHI-UHFFFAOYSA-N -1 0 330.340 2.627 20 30 EFEDRM Cc1noc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3F)cc12 ZINC001190650974 1292265012 /nfs/dbraw/zinc/26/50/12/1292265012.db2.gz QERZDBYBQIWOKK-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM C=CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190657700 1292271389 /nfs/dbraw/zinc/27/13/89/1292271389.db2.gz HNGUUAOSICKFIT-UHFFFAOYSA-N -1 0 345.355 2.623 20 30 EFEDRM N#Cc1cc(Cc2ccccc2)sc1[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190686512 1292285265 /nfs/dbraw/zinc/28/52/65/1292285265.db2.gz LNNOJKFAWSQJLC-UHFFFAOYSA-N -1 0 344.421 2.734 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)cnc2C(=O)OCC)CC1 ZINC001190773809 1292307916 /nfs/dbraw/zinc/30/79/16/1292307916.db2.gz RCDQYGYSXRYGHB-UHFFFAOYSA-N -1 0 344.820 2.762 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nccnc2OCc2ccccc2)CC1 ZINC001190773403 1292308524 /nfs/dbraw/zinc/30/85/24/1292308524.db2.gz YDJJRGXQPZDBEH-UHFFFAOYSA-N -1 0 345.424 2.906 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)OC)CC1 ZINC001190815441 1292324035 /nfs/dbraw/zinc/32/40/35/1292324035.db2.gz LOLWDDAQACTGTQ-UHFFFAOYSA-N -1 0 327.377 2.771 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C(=O)OC)CC1 ZINC001190815457 1292324170 /nfs/dbraw/zinc/32/41/70/1292324170.db2.gz MHLQROYDCMOFTM-UHFFFAOYSA-N -1 0 334.397 2.504 20 30 EFEDRM COc1ccc(Nc2ccc(OC)cc2S(=O)(=O)[O-])c(C#N)c1 ZINC001212784315 1292357601 /nfs/dbraw/zinc/35/76/01/1292357601.db2.gz KOUSYGAYUQPCOJ-UHFFFAOYSA-N -1 0 334.353 2.566 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190893903 1292368270 /nfs/dbraw/zinc/36/82/70/1292368270.db2.gz UPGFCYDIMFTBKC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190894245 1292368650 /nfs/dbraw/zinc/36/86/50/1292368650.db2.gz YVQROWDHKHXTII-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CSc1nccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190932403 1292374799 /nfs/dbraw/zinc/37/47/99/1292374799.db2.gz HSOPAXRDRQFMSM-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn3nccc3c2)c1 ZINC001190939212 1292377906 /nfs/dbraw/zinc/37/79/06/1292377906.db2.gz UONKKIHCXMBMSV-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1nc(Cl)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937456 1292378134 /nfs/dbraw/zinc/37/81/34/1292378134.db2.gz MOIYKKWUHXWUBQ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3ccccn23)c1 ZINC001190937673 1292378526 /nfs/dbraw/zinc/37/85/26/1292378526.db2.gz RNFDKJDPTLJDKK-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CCOc1cccnc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937851 1292378812 /nfs/dbraw/zinc/37/88/12/1292378812.db2.gz ZKJMCSIDURUVIN-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C ZINC001190937492 1292378950 /nfs/dbraw/zinc/37/89/50/1292378950.db2.gz NUBKBNINYPEISI-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc(F)nc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190943034 1292380020 /nfs/dbraw/zinc/38/00/20/1292380020.db2.gz RINBCFTXUFXYDM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CCOC(=O)c1nc(C(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC001190943501 1292381569 /nfs/dbraw/zinc/38/15/69/1292381569.db2.gz QXKJWCZTQYMVEM-UHFFFAOYSA-N -1 0 347.421 2.994 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)c1 ZINC001190971648 1292405745 /nfs/dbraw/zinc/40/57/45/1292405745.db2.gz QPZOTAABIZLSRH-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM Cn1cnc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc21 ZINC001190971354 1292405989 /nfs/dbraw/zinc/40/59/89/1292405989.db2.gz IGNLTTAZYGXQCB-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001190973079 1292406602 /nfs/dbraw/zinc/40/66/02/1292406602.db2.gz STEQAAHIDDJDRL-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C#N)nc2C)c1 ZINC001191153847 1292482719 /nfs/dbraw/zinc/48/27/19/1292482719.db2.gz OAMJBUAFPBXCGF-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1C#N ZINC001191144368 1292492477 /nfs/dbraw/zinc/49/24/77/1292492477.db2.gz ALJPMTDPHZMEAA-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncc(C#N)nc1C ZINC001191663145 1292609988 /nfs/dbraw/zinc/60/99/88/1292609988.db2.gz ZWOPHKBBUVTPEG-UHFFFAOYSA-N -1 0 346.412 2.590 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1Cl ZINC001191728821 1292625924 /nfs/dbraw/zinc/62/59/24/1292625924.db2.gz NISWORVCQOXPTL-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192004729 1292739188 /nfs/dbraw/zinc/73/91/88/1292739188.db2.gz KCZBOAWTNQAWFD-UHFFFAOYSA-N -1 0 334.999 2.676 20 30 EFEDRM N#Cc1cc(F)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1F ZINC001192032472 1292755795 /nfs/dbraw/zinc/75/57/95/1292755795.db2.gz SPAZTLZUGNQFBJ-UHFFFAOYSA-N -1 0 335.546 2.906 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1 ZINC001192034054 1292756115 /nfs/dbraw/zinc/75/61/15/1292756115.db2.gz ARPLWQCHEDPKDT-UHFFFAOYSA-N -1 0 328.604 2.768 20 30 EFEDRM N#Cc1cc(F)cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192131708 1292787469 /nfs/dbraw/zinc/78/74/69/1292787469.db2.gz IJFYRPUXNSOGJD-UHFFFAOYSA-N -1 0 348.355 2.515 20 30 EFEDRM C=C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC001192174895 1292825088 /nfs/dbraw/zinc/82/50/88/1292825088.db2.gz MPRXIWFMJJFGJV-QGZVFWFLSA-N -1 0 345.420 2.909 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2cccc(C#N)c2c1 ZINC001233566866 1312958032 /nfs/dbraw/zinc/95/80/32/1312958032.db2.gz WXAIAGYQBUCKNZ-MRXNPFEDSA-N -1 0 347.392 2.549 20 30 EFEDRM CC(=O)Nc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(C)c1 ZINC001192511722 1292906725 /nfs/dbraw/zinc/90/67/25/1292906725.db2.gz QQRANAFOYCYTBN-UHFFFAOYSA-N -1 0 327.315 2.922 20 30 EFEDRM CC[C@H]1CCCC[C@H]1C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000796320203 1292914522 /nfs/dbraw/zinc/91/45/22/1292914522.db2.gz FLZFEGXEYMBNBA-SMDDNHRTSA-N -1 0 328.372 2.566 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C#N)cnc1Cl ZINC001192570310 1292915946 /nfs/dbraw/zinc/91/59/46/1292915946.db2.gz CWWGDSSZGYVODZ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cnc1Cl ZINC001192534079 1292918773 /nfs/dbraw/zinc/91/87/73/1292918773.db2.gz NYHYBIWEVJNLIZ-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cnc1Cl ZINC001192576591 1292929390 /nfs/dbraw/zinc/92/93/90/1292929390.db2.gz PJFRLVNXQAKBOA-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)ccnc2C#N)c1 ZINC001192774580 1293032621 /nfs/dbraw/zinc/03/26/21/1293032621.db2.gz VGUGXQFERQMXMI-UHFFFAOYSA-N -1 0 331.397 2.634 20 30 EFEDRM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000129294595 1293038305 /nfs/dbraw/zinc/03/83/05/1293038305.db2.gz BFQGIYFXLQEVEG-UONOGXRCSA-N -1 0 346.433 2.537 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)c1 ZINC001192820621 1293062971 /nfs/dbraw/zinc/06/29/71/1293062971.db2.gz BOOQJRGCQIYLBS-UHFFFAOYSA-N -1 0 332.381 2.636 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1ccc([O-])c(F)c1F ZINC001192828372 1293065266 /nfs/dbraw/zinc/06/52/66/1293065266.db2.gz RSNHJWUBGVDOJD-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM CC(C)(C)OC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)CC#N ZINC001192985590 1293116963 /nfs/dbraw/zinc/11/69/63/1293116963.db2.gz IHBOGRTWBMTEOO-UHFFFAOYSA-N -1 0 345.808 2.952 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)ccc1C#N ZINC000903634802 1312978606 /nfs/dbraw/zinc/97/86/06/1312978606.db2.gz PFQQBWCQDWVWPQ-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM COC(=O)c1ccc(Oc2ccccc2[N-]S(=O)(=O)CC#N)cc1 ZINC001192972426 1293129205 /nfs/dbraw/zinc/12/92/05/1293129205.db2.gz YGDQMNIFGAGWRC-UHFFFAOYSA-N -1 0 346.364 2.531 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1nccc2cc(Br)ccc21 ZINC001193106053 1293171538 /nfs/dbraw/zinc/17/15/38/1293171538.db2.gz KDIOROLIJCNCIX-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnc2cc(Br)ccc12 ZINC001193107257 1293171865 /nfs/dbraw/zinc/17/18/65/1293171865.db2.gz RZEZUZRDBNZWOH-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnc2c(Br)cccc12 ZINC001193107267 1293171916 /nfs/dbraw/zinc/17/19/16/1293171916.db2.gz SEHFHXVXVIIIIH-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cnc2c(cccc2C(F)(F)F)c1 ZINC001193111526 1293174050 /nfs/dbraw/zinc/17/40/50/1293174050.db2.gz IPWUYYMLBRBGCP-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccc1 ZINC001193147048 1293185912 /nfs/dbraw/zinc/18/59/12/1293185912.db2.gz WCMQRROEWDIYPE-ZDUSSCGKSA-N -1 0 344.392 2.697 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1OC(F)(F)F ZINC001193151734 1293186914 /nfs/dbraw/zinc/18/69/14/1293186914.db2.gz SUCKKLIVYSOLOT-LURJTMIESA-N -1 0 328.699 2.892 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(OC(F)(F)F)c(F)cc1F ZINC001193150017 1293187166 /nfs/dbraw/zinc/18/71/66/1293187166.db2.gz CCRIXHJCRGAWLA-YFKPBYRVSA-N -1 0 330.234 2.517 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(OC(F)(F)F)c(F)cc1F ZINC001193149962 1293187635 /nfs/dbraw/zinc/18/76/35/1293187635.db2.gz CCRIXHJCRGAWLA-RXMQYKEDSA-N -1 0 330.234 2.517 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c(Br)cncc12 ZINC001193157905 1293188649 /nfs/dbraw/zinc/18/86/49/1293188649.db2.gz JOFCHZNCMMJKMW-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1NC(=O)OC(C)(C)C ZINC001193158938 1293188735 /nfs/dbraw/zinc/18/87/35/1293188735.db2.gz WQCIQEGSCNKLDA-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1NC(=O)OC(C)(C)C ZINC001193157086 1293188879 /nfs/dbraw/zinc/18/88/79/1293188879.db2.gz AFKGTKWYBGWLEJ-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)OCc2ccccc2)c1 ZINC001193161825 1293189762 /nfs/dbraw/zinc/18/97/62/1293189762.db2.gz UHIYXSIKWBXUJK-CYBMUJFWSA-N -1 0 344.392 2.697 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(NC(=O)OC(C)(C)C)c1 ZINC001193160256 1293190049 /nfs/dbraw/zinc/19/00/49/1293190049.db2.gz AVGVQCTXPMPNNM-LLVKDONJSA-N -1 0 339.417 2.996 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)[C@H](C)C#N)c1NC(=O)OC(C)(C)C ZINC001193161216 1293190349 /nfs/dbraw/zinc/19/03/49/1293190349.db2.gz NMARBRBGMOPPMI-LLVKDONJSA-N -1 0 339.417 2.996 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000129962124 1293300896 /nfs/dbraw/zinc/30/08/96/1293300896.db2.gz DEWMGCBNBBZWKV-UHFFFAOYSA-N -1 0 348.330 2.649 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cnc3n2CCCC3)c(C#N)c1C ZINC000903641833 1312992056 /nfs/dbraw/zinc/99/20/56/1312992056.db2.gz UIYCUIVLXJRSGN-UHFFFAOYSA-N -1 0 336.442 2.570 20 30 EFEDRM COc1ccc(Br)nc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193499871 1293328236 /nfs/dbraw/zinc/32/82/36/1293328236.db2.gz WQMHIFMQZWUYSN-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM N#Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccn2)ccc1[O-] ZINC001193504030 1293334628 /nfs/dbraw/zinc/33/46/28/1293334628.db2.gz LRPMLPYXZVQWHN-UHFFFAOYSA-N -1 0 344.374 2.896 20 30 EFEDRM N#Cc1cc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)ccc1[O-] ZINC001193503762 1293335088 /nfs/dbraw/zinc/33/50/88/1293335088.db2.gz GMECNHUFHIMNOS-ZDUSSCGKSA-N -1 0 336.273 2.761 20 30 EFEDRM COc1cc(OC)cc([C@H](C)NC(=O)c2ccc([O-])c(C#N)c2)c1 ZINC001193515455 1293340930 /nfs/dbraw/zinc/34/09/30/1293340930.db2.gz NHOMDQNVOYOHNM-NSHDSACASA-N -1 0 326.352 2.772 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c(C)c1 ZINC001193636280 1293378679 /nfs/dbraw/zinc/37/86/79/1293378679.db2.gz OCCHMHIBYWQSEL-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccccc1-n1nccc1NC(=O)c1cccc(C#N)c1[O-] ZINC001193642937 1293381412 /nfs/dbraw/zinc/38/14/12/1293381412.db2.gz TYECSKZMAVAIBU-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCc3c([nH]nc3C(F)(F)F)C2)c1[O-] ZINC001193647317 1293392767 /nfs/dbraw/zinc/39/27/67/1293392767.db2.gz ZRWDQXUQPOQHFG-CYBMUJFWSA-N -1 0 336.273 2.761 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccccc2CN2CCCC2=O)c1[O-] ZINC001193652463 1293396139 /nfs/dbraw/zinc/39/61/39/1293396139.db2.gz IKXKJCGVOBZSNH-UHFFFAOYSA-N -1 0 335.363 2.639 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1 ZINC001193653615 1293397025 /nfs/dbraw/zinc/39/70/25/1293397025.db2.gz JZDBFTQUDHCLAM-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C)nc(Cl)c2)c1 ZINC001193654020 1293397497 /nfs/dbraw/zinc/39/74/97/1293397497.db2.gz QUYBEUYHGRTUHF-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000026302399 1293400293 /nfs/dbraw/zinc/40/02/93/1293400293.db2.gz OVAYRJAPAVSVGW-VCHYOVAHSA-N -1 0 346.339 2.945 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(F)cccc1C(C)(C)C ZINC001233832227 1313001229 /nfs/dbraw/zinc/00/12/29/1313001229.db2.gz WYZFEAKHEMANGQ-LBPRGKRZSA-N -1 0 346.420 2.961 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193893248 1293481838 /nfs/dbraw/zinc/48/18/38/1293481838.db2.gz RTQYRBQNASZLHB-UHFFFAOYSA-N -1 0 345.500 2.694 20 30 EFEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ncn(-c3ccccc3)n2)c1 ZINC000131202419 1293504556 /nfs/dbraw/zinc/50/45/56/1293504556.db2.gz OHVKVWOSYICDAG-INIZCTEOSA-N -1 0 345.362 2.537 20 30 EFEDRM C[C@@](C#N)([N-]S(=O)(=O)CC(F)(F)F)c1ccccc1Cl ZINC001253224676 1293518222 /nfs/dbraw/zinc/51/82/22/1293518222.db2.gz VFDKQGGSJZZDJN-JTQLQIEISA-N -1 0 326.727 2.560 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C#N)cc1C#N ZINC001194276464 1293563795 /nfs/dbraw/zinc/56/37/95/1293563795.db2.gz IPEVXPAJWHTLNE-UHFFFAOYSA-N -1 0 343.346 2.882 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194260881 1293573845 /nfs/dbraw/zinc/57/38/45/1293573845.db2.gz JQTAPOCUGFAMRH-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000132024735 1293617416 /nfs/dbraw/zinc/61/74/16/1293617416.db2.gz GBTCYVPSJYOWLV-SSDOTTSWSA-N -1 0 349.106 2.536 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194411298 1293622933 /nfs/dbraw/zinc/62/29/33/1293622933.db2.gz KYLFHYSLZHXJOT-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)n1 ZINC001194410994 1293624235 /nfs/dbraw/zinc/62/42/35/1293624235.db2.gz HSBUPUMUPOQBJX-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194459114 1293629675 /nfs/dbraw/zinc/62/96/75/1293629675.db2.gz VLKDMGALKIDDDS-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccnc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194446412 1293644100 /nfs/dbraw/zinc/64/41/00/1293644100.db2.gz BBVXXTAFAYRERH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1C#N ZINC001194524779 1293656723 /nfs/dbraw/zinc/65/67/23/1293656723.db2.gz YJXFJLMCNCTZBW-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194568278 1293671063 /nfs/dbraw/zinc/67/10/63/1293671063.db2.gz ASRIZYDZAHDAJR-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)n2)cc1C#N ZINC001194781807 1293708497 /nfs/dbraw/zinc/70/84/97/1293708497.db2.gz JDNYJZCESVEEFW-UHFFFAOYSA-N -1 0 337.261 2.511 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2O)c(C)c1C ZINC001194864436 1293731698 /nfs/dbraw/zinc/73/16/98/1293731698.db2.gz OKGPOSAGVQGBRJ-UHFFFAOYSA-N -1 0 346.408 2.999 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c(C)c1C ZINC001194864400 1293732327 /nfs/dbraw/zinc/73/23/27/1293732327.db2.gz MZGMLNCVGUQWHV-UHFFFAOYSA-N -1 0 346.408 2.999 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c(C)c1C ZINC001194842925 1293736333 /nfs/dbraw/zinc/73/63/33/1293736333.db2.gz DIENYMSGZWCCCM-UHFFFAOYSA-N -1 0 349.387 2.827 20 30 EFEDRM C=CCNC(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001202570348 1293777560 /nfs/dbraw/zinc/77/75/60/1293777560.db2.gz ULPDTLUXAIGTIU-UHFFFAOYSA-N -1 0 338.363 2.852 20 30 EFEDRM C[Si](C)(C)CCS(=O)(=O)[N-]c1nc2ncccc2cc1C#N ZINC001195040924 1293782012 /nfs/dbraw/zinc/78/20/12/1293782012.db2.gz LAMIJCHGZHDSBJ-UHFFFAOYSA-N -1 0 334.477 2.581 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1-c1ccccc1 ZINC001233980002 1313030274 /nfs/dbraw/zinc/03/02/74/1313030274.db2.gz FNGORGOFCWQUPW-OAHLLOKOSA-N -1 0 349.408 2.586 20 30 EFEDRM C=C1CC=C(F)C=C1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259496 1293865359 /nfs/dbraw/zinc/86/53/59/1293865359.db2.gz DVIWXDDBPQQEIO-UHFFFAOYSA-N -1 0 345.298 2.639 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)cnc1C#N ZINC001195284306 1293879968 /nfs/dbraw/zinc/87/99/68/1293879968.db2.gz KOZJQLONNYFPLM-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1ccc(Br)cc1C#N ZINC001195484088 1293938932 /nfs/dbraw/zinc/93/89/32/1293938932.db2.gz JWVMFTVGWANHDR-UHFFFAOYSA-N -1 0 328.191 2.764 20 30 EFEDRM Cc1nc(NC(=O)c2ccc(C#N)cc2[O-])nc(C)c1Br ZINC001195733335 1294004775 /nfs/dbraw/zinc/00/47/75/1294004775.db2.gz KITRDINZYSCCCT-UHFFFAOYSA-N -1 0 347.172 2.686 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c3c2OCCC3=O)c([O-])c1 ZINC001195757466 1294014709 /nfs/dbraw/zinc/01/47/09/1294014709.db2.gz BZMYCPSSEOPCBE-UHFFFAOYSA-N -1 0 326.283 2.620 20 30 EFEDRM N#Cc1ccc(C(=O)N(Cc2c[nH]cn2)Cc2ccccc2)c([O-])c1 ZINC001195749869 1294029028 /nfs/dbraw/zinc/02/90/28/1294029028.db2.gz BVRRIXXFLGSUIY-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(C#N)cc2[O-])ccc1N1CCOCC1 ZINC001195750740 1294029895 /nfs/dbraw/zinc/02/98/95/1294029895.db2.gz KRJFDSZBVQUJGK-UHFFFAOYSA-N -1 0 337.379 2.661 20 30 EFEDRM CN(CCC#N)S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196066792 1294116150 /nfs/dbraw/zinc/11/61/50/1294116150.db2.gz QYRSZHQAQFRFPP-UHFFFAOYSA-N -1 0 344.392 2.586 20 30 EFEDRM C=C(C)CNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196101853 1294133464 /nfs/dbraw/zinc/13/34/64/1294133464.db2.gz VRCGNZVBMUGWNG-UHFFFAOYSA-N -1 0 331.393 2.906 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC001196154568 1294152715 /nfs/dbraw/zinc/15/27/15/1294152715.db2.gz GYODVFGHKLIEOW-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245521 1294183824 /nfs/dbraw/zinc/18/38/24/1294183824.db2.gz BGZGAWRECOCAAT-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245977 1294184051 /nfs/dbraw/zinc/18/40/51/1294184051.db2.gz IMKZZJQHFQOXSU-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])s1 ZINC001273718638 1294204461 /nfs/dbraw/zinc/20/44/61/1294204461.db2.gz HEUZZGGAFFSVDM-ZIAGYGMSSA-N -1 0 334.441 2.588 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C#N)c(F)c1 ZINC001196347474 1294205920 /nfs/dbraw/zinc/20/59/20/1294205920.db2.gz WUZMYFXTANQGRG-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)c(F)c1 ZINC001196398416 1294224850 /nfs/dbraw/zinc/22/48/50/1294224850.db2.gz NKCXEYCOAXTSKJ-UHFFFAOYSA-N -1 0 339.232 2.906 20 30 EFEDRM COc1cccc(-c2cc(O)cc(C(=O)Nc3[nH]cnc3C#N)c2)c1 ZINC001196365177 1294227917 /nfs/dbraw/zinc/22/79/17/1294227917.db2.gz KXENNQOXHSDMCN-UHFFFAOYSA-N -1 0 334.335 2.915 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196416208 1294240183 /nfs/dbraw/zinc/24/01/83/1294240183.db2.gz FMKFVEOQKGIQPI-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196416667 1294240581 /nfs/dbraw/zinc/24/05/81/1294240581.db2.gz NRICYXLBQKNAHS-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000121458215 1294306165 /nfs/dbraw/zinc/30/61/65/1294306165.db2.gz ITHXZYOPUYMBNQ-OAHLLOKOSA-N -1 0 336.819 2.902 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680139 1294313975 /nfs/dbraw/zinc/31/39/75/1294313975.db2.gz CBLYTTKRJCIYES-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196639544 1294314410 /nfs/dbraw/zinc/31/44/10/1294314410.db2.gz GDQICCQSCYPAKY-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196680344 1294314520 /nfs/dbraw/zinc/31/45/20/1294314520.db2.gz JFMWCJDYCKJNJT-UHFFFAOYSA-N -1 0 333.756 2.590 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(O)c1 ZINC001196680466 1294314997 /nfs/dbraw/zinc/31/49/97/1294314997.db2.gz MAFVZJSHDRCOHN-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc(C)n1 ZINC001196649876 1294319035 /nfs/dbraw/zinc/31/90/35/1294319035.db2.gz BPXTXNXOTUPHDU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196650696 1294319264 /nfs/dbraw/zinc/31/92/64/1294319264.db2.gz WRZDGTNPQNCIKV-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cn1ncc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)ccc21 ZINC001196675131 1294330160 /nfs/dbraw/zinc/33/01/60/1294330160.db2.gz BEJGCOGTALZLLL-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM CC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ccccc1 ZINC001196698574 1294332782 /nfs/dbraw/zinc/33/27/82/1294332782.db2.gz UGHJWLQXIZSZME-INIZCTEOSA-N -1 0 348.811 2.820 20 30 EFEDRM Cc1cccc(CO)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196690168 1294346534 /nfs/dbraw/zinc/34/65/34/1294346534.db2.gz IIIHMBQZRZGNJQ-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1CO ZINC001196690280 1294346971 /nfs/dbraw/zinc/34/69/71/1294346971.db2.gz LSGHKDHLBWRMGN-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM COc1c(O)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196690584 1294347083 /nfs/dbraw/zinc/34/70/83/1294347083.db2.gz PZYBWMFRPSJLSP-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(=O)[n-]c(Cl)n3)no2)c1 ZINC001196759444 1294347879 /nfs/dbraw/zinc/34/78/79/1294347879.db2.gz LSBLEBAXKYTROE-UHFFFAOYSA-N -1 0 341.714 2.615 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C#N)cccc2OC)c(C)c1 ZINC001196880938 1294390932 /nfs/dbraw/zinc/39/09/32/1294390932.db2.gz UPSNDZBARMQJAY-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc2c(n1)CC[C@@H](C)C2 ZINC000903689450 1313071790 /nfs/dbraw/zinc/07/17/90/1313071790.db2.gz MLHDSYLLUSYCBK-LLVKDONJSA-N -1 0 342.424 2.582 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ncc3c(n2)CC[C@@H](C)C3)c1C#N ZINC000903689654 1313072304 /nfs/dbraw/zinc/07/23/04/1313072304.db2.gz OXPNBXQMFWJRKW-LLVKDONJSA-N -1 0 342.424 2.582 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC001197029932 1294444720 /nfs/dbraw/zinc/44/47/20/1294444720.db2.gz RZMMBHAKWDIKFT-UHFFFAOYSA-N -1 0 344.392 2.649 20 30 EFEDRM N#Cc1cc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001197131712 1294455817 /nfs/dbraw/zinc/45/58/17/1294455817.db2.gz QXGKVCJVWUFXSI-UHFFFAOYSA-N -1 0 329.356 2.882 20 30 EFEDRM C#C[C@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)[C@H](CC)CCCC ZINC001234188974 1313077333 /nfs/dbraw/zinc/07/73/33/1313077333.db2.gz HNXBPFBFDAOVOY-NEPJUHHUSA-N -1 0 336.388 2.580 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N=c2nc[nH]n2C)c1 ZINC001197357504 1294510315 /nfs/dbraw/zinc/51/03/15/1294510315.db2.gz LSLJLUDGIPJFSH-UHFFFAOYSA-N -1 0 344.415 2.738 20 30 EFEDRM CN(CC#N)C(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197374010 1294534441 /nfs/dbraw/zinc/53/44/41/1294534441.db2.gz SIHWZIODVUQMEC-UHFFFAOYSA-N -1 0 340.223 2.594 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC[C@H](O)CF)c1 ZINC001197375066 1294535632 /nfs/dbraw/zinc/53/56/32/1294535632.db2.gz HCPDTDNZJYRQGC-CQSZACIVSA-N -1 0 339.407 2.996 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NC[C@@H](O)CF)c1 ZINC001197375065 1294536155 /nfs/dbraw/zinc/53/61/55/1294536155.db2.gz HCPDTDNZJYRQGC-AWEZNQCLSA-N -1 0 339.407 2.996 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(C)c1F ZINC001234224651 1313084325 /nfs/dbraw/zinc/08/43/25/1313084325.db2.gz ZQWSCCHJSDBNMB-SNVBAGLBSA-N -1 0 338.784 2.625 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197457945 1294571828 /nfs/dbraw/zinc/57/18/28/1294571828.db2.gz MUVLKRZIPLJFPZ-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197502745 1294592718 /nfs/dbraw/zinc/59/27/18/1294592718.db2.gz NYSKLYVRQGJSPR-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C ZINC000136409093 1294594918 /nfs/dbraw/zinc/59/49/18/1294594918.db2.gz GAFRMUMIEHRLNT-LBPRGKRZSA-N -1 0 337.445 2.617 20 30 EFEDRM COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000136499696 1294645178 /nfs/dbraw/zinc/64/51/78/1294645178.db2.gz OMPATQCTUSZFQG-XBXARRHUSA-N -1 0 327.292 2.983 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)Cc1ccccn1)CCCC2 ZINC001197774210 1294711984 /nfs/dbraw/zinc/71/19/84/1294711984.db2.gz NVOOBHBOUJQSDJ-UHFFFAOYSA-N -1 0 333.438 2.835 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C2CCC2)cc1 ZINC001234301533 1313098586 /nfs/dbraw/zinc/09/85/86/1313098586.db2.gz UZFAZPZYQBLKSA-MRXNPFEDSA-N -1 0 326.414 2.792 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137479076 1294785970 /nfs/dbraw/zinc/78/59/70/1294785970.db2.gz DPDGTYJGEHTDKM-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137478517 1294786361 /nfs/dbraw/zinc/78/63/61/1294786361.db2.gz WRICDDGPRKQTQU-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1C#N ZINC000137639524 1294844804 /nfs/dbraw/zinc/84/48/04/1294844804.db2.gz FSHXYBNONJGCDD-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM CCC(=O)Oc1cccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001198097109 1294874579 /nfs/dbraw/zinc/87/45/79/1294874579.db2.gz OZMBJRPTFCPKQL-UHFFFAOYSA-N -1 0 328.299 2.971 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)cc(Cl)cc1C ZINC001234354859 1313111517 /nfs/dbraw/zinc/11/15/17/1313111517.db2.gz WCVSUPBXSURQGG-CYBMUJFWSA-N -1 0 334.821 2.795 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(Cl)n2)c1C#N ZINC001198203146 1294921629 /nfs/dbraw/zinc/92/16/29/1294921629.db2.gz DAJRAESPWGXXHU-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C3(C#N)CCCC3)cc2)n1C ZINC001198399872 1295030351 /nfs/dbraw/zinc/03/03/51/1295030351.db2.gz LGWNYOPLXDNENQ-UHFFFAOYSA-N -1 0 344.440 2.865 20 30 EFEDRM N#CC1(COC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000775857394 1295071188 /nfs/dbraw/zinc/07/11/88/1295071188.db2.gz YTTYAJMAJYSLHE-UHFFFAOYSA-N -1 0 347.168 2.751 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1C ZINC001198650884 1295168807 /nfs/dbraw/zinc/16/88/07/1295168807.db2.gz GIYHOXLNYJDARS-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC001198692857 1295179867 /nfs/dbraw/zinc/17/98/67/1295179867.db2.gz HVQFJVCFUWPMAA-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(C)cccc1C#N ZINC001198702470 1295187302 /nfs/dbraw/zinc/18/73/02/1295187302.db2.gz VFFXIEGMJXJFHP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@@H]1CN(c2nccc(Oc3cccc(C#N)c3)n2)CC[C@@H]1C(=O)[O-] ZINC000886911727 1295209423 /nfs/dbraw/zinc/20/94/23/1295209423.db2.gz AMADDFTZHKZETJ-DOMZBBRYSA-N -1 0 338.367 2.688 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2OC)cc1F ZINC001198705378 1295217801 /nfs/dbraw/zinc/21/78/01/1295217801.db2.gz AUNAUCAXYHGZDW-UHFFFAOYSA-N -1 0 340.763 2.665 20 30 EFEDRM N#Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc1Cl ZINC001198780015 1295248764 /nfs/dbraw/zinc/24/87/64/1295248764.db2.gz XOOHCEBPOKYUIH-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001198819562 1295275848 /nfs/dbraw/zinc/27/58/48/1295275848.db2.gz DICHEJDVGGFYST-OAHLLOKOSA-N -1 0 331.393 2.981 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc[nH]c2C(C)C)n1 ZINC000803779825 1313144245 /nfs/dbraw/zinc/14/42/45/1313144245.db2.gz GJSZQGFWCSYXMM-GFCCVEGCSA-N -1 0 331.397 2.936 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887297303 1295342301 /nfs/dbraw/zinc/34/23/01/1295342301.db2.gz YWIZTBREBMQBIM-KSIDHJATSA-N -1 0 336.391 2.575 20 30 EFEDRM Cc1nc(O[C@H](C)C#C[Si](C)(C)C)c(Br)c(=O)[n-]1 ZINC001234570361 1313160582 /nfs/dbraw/zinc/16/05/82/1313160582.db2.gz WYYOPNKAYMJUKQ-MRVPVSSYSA-N -1 0 329.270 2.901 20 30 EFEDRM O=C(CCc1nc(-c2cccc(C3OCCO3)c2)no1)C1=CC=C[CH]1 ZINC001204655957 1313177945 /nfs/dbraw/zinc/17/79/45/1313177945.db2.gz BYPOPVKWNAEJMQ-UHFFFAOYSA-N -1 0 337.355 2.984 20 30 EFEDRM C#C[C@H](C)Oc1cc([O-])cc2oc(-c3c(O)cccc3O)cc(=O)c12 ZINC001234729173 1313186730 /nfs/dbraw/zinc/18/67/30/1313186730.db2.gz RIWSTVGUWZZZCG-JTQLQIEISA-N -1 0 338.315 2.977 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777292903 1295991148 /nfs/dbraw/zinc/99/11/48/1295991148.db2.gz NNZAABVWPGZEJU-INIZCTEOSA-N -1 0 329.400 2.530 20 30 EFEDRM C#C[C@H](CCCC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894782 1313204779 /nfs/dbraw/zinc/20/47/79/1313204779.db2.gz LTZDVXIZYVGQPH-GFCCVEGCSA-N -1 0 341.367 2.602 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000776119096 1296479584 /nfs/dbraw/zinc/47/95/84/1296479584.db2.gz CJXBPIODLNLGDW-UHFFFAOYSA-N -1 0 346.408 2.629 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000776136945 1296587889 /nfs/dbraw/zinc/58/78/89/1296587889.db2.gz BIWQXDNCMAUCCE-UHFFFAOYSA-N -1 0 336.457 2.740 20 30 EFEDRM CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776140920 1296607623 /nfs/dbraw/zinc/60/76/23/1296607623.db2.gz QQNAYJHPYULJQO-CYBMUJFWSA-N -1 0 340.470 2.553 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)ccn1 ZINC001201246079 1296656143 /nfs/dbraw/zinc/65/61/43/1296656143.db2.gz FCDFTTZHFAEALG-UHFFFAOYSA-N -1 0 345.182 2.732 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201252079 1296659634 /nfs/dbraw/zinc/65/96/34/1296659634.db2.gz RRQAEWAWCBORIC-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)cc1C#N ZINC001201287315 1296683406 /nfs/dbraw/zinc/68/34/06/1296683406.db2.gz FLIOAHMNJWCUHI-UHFFFAOYSA-N -1 0 345.405 2.983 20 30 EFEDRM Cc1cn2cccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)c2n1 ZINC001201292701 1296684869 /nfs/dbraw/zinc/68/48/69/1296684869.db2.gz HVMRPIAAKIBFAM-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)s1 ZINC001201293561 1296706695 /nfs/dbraw/zinc/70/66/95/1296706695.db2.gz ZILMMBKRAQRABT-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1C#N ZINC001201294630 1296708059 /nfs/dbraw/zinc/70/80/59/1296708059.db2.gz AZCKDAQQJDNNRK-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1cccc(OC)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201315947 1296722323 /nfs/dbraw/zinc/72/23/23/1296722323.db2.gz RYGJDQIXHHGPCY-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2CO)cc1C#N ZINC001201320443 1296725052 /nfs/dbraw/zinc/72/50/52/1296725052.db2.gz ZMRMJPCEBAOMRE-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1C#N ZINC001201320449 1296725973 /nfs/dbraw/zinc/72/59/73/1296725973.db2.gz ZORVAZXDBGKOQH-UHFFFAOYSA-N -1 0 341.392 2.552 20 30 EFEDRM Cc1cc(COS(C)(=O)=O)ccc1-c1ccsc1C(=O)[O-] ZINC001205609759 1313321465 /nfs/dbraw/zinc/32/14/65/1313321465.db2.gz DKNNSHBALFSEHX-UHFFFAOYSA-N -1 0 326.395 2.898 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOC[C@@H]2CCCO2)c1[O-] ZINC000114990804 1313333308 /nfs/dbraw/zinc/33/33/08/1313333308.db2.gz RHDQNGFSUBCUGQ-WIJRQFRKSA-N -1 0 328.752 2.568 20 30 EFEDRM CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCc1ccc(C(=O)[O-])cc1 ZINC001205680353 1313336783 /nfs/dbraw/zinc/33/67/83/1313336783.db2.gz CGYCLAUKJFRRRA-OAHLLOKOSA-N -1 0 334.444 2.714 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(F)ccc1C#N ZINC001201760815 1297059561 /nfs/dbraw/zinc/05/95/61/1297059561.db2.gz UAYKSFWJUCTOBK-UHFFFAOYSA-N -1 0 331.781 2.917 20 30 EFEDRM CCCCCCCCCCS(=O)(=O)[N-][C@H](C#N)C(=O)OCC ZINC001201837157 1297121657 /nfs/dbraw/zinc/12/16/57/1297121657.db2.gz OJEILMSGQBADHQ-CQSZACIVSA-N -1 0 332.466 2.502 20 30 EFEDRM CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000042292228 1297696828 /nfs/dbraw/zinc/69/68/28/1297696828.db2.gz XOSSFNDHFHZVAA-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM Cc1cc(Br)ccc1SCC(=O)[N-]S(C)(=O)=O ZINC000048478846 1297757991 /nfs/dbraw/zinc/75/79/91/1297757991.db2.gz YBEBXDCOMDXWEK-UHFFFAOYSA-N -1 0 338.248 2.766 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F)c(C)c1 ZINC000048476717 1297758527 /nfs/dbraw/zinc/75/85/27/1297758527.db2.gz CXKZKSFRBCPKGA-UHFFFAOYSA-N -1 0 339.335 2.918 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)o1 ZINC000107022567 1297782749 /nfs/dbraw/zinc/78/27/49/1297782749.db2.gz JMBZFSXKXNEILK-UHFFFAOYSA-N -1 0 338.772 2.540 20 30 EFEDRM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)C1(O)CCC1 ZINC000305702577 1297903740 /nfs/dbraw/zinc/90/37/40/1297903740.db2.gz DGCPHJRQVXHCBP-UHFFFAOYSA-N -1 0 347.283 2.723 20 30 EFEDRM COC(=O)c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)n1 ZINC001236163953 1313449559 /nfs/dbraw/zinc/44/95/59/1313449559.db2.gz GOBMIBOIDCFABM-UHFFFAOYSA-N -1 0 334.690 2.898 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1Cl ZINC000779313000 1298196348 /nfs/dbraw/zinc/19/63/48/1298196348.db2.gz JCZQEWRDLVNKSF-UHFFFAOYSA-N -1 0 340.832 2.792 20 30 EFEDRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779313107 1298196359 /nfs/dbraw/zinc/19/63/59/1298196359.db2.gz JWRLAUAFYPDVED-ZDUSSCGKSA-N -1 0 326.462 2.733 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c(C)s1 ZINC000779320801 1298203747 /nfs/dbraw/zinc/20/37/47/1298203747.db2.gz DBOCUNULGIRFTO-UHFFFAOYSA-N -1 0 326.443 2.509 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000191275039 1298251232 /nfs/dbraw/zinc/25/12/32/1298251232.db2.gz SGUJBJIGTKQERM-UHFFFAOYSA-N -1 0 344.411 2.617 20 30 EFEDRM CCCCCCCS(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000194796427 1298594735 /nfs/dbraw/zinc/59/47/35/1298594735.db2.gz BLJXGYOYRJGWBL-UHFFFAOYSA-N -1 0 336.255 2.951 20 30 EFEDRM N#CC(=C([O-])c1sccc1S(=O)(=O)C(F)F)c1ccccn1 ZINC000108624480 1298759673 /nfs/dbraw/zinc/75/96/73/1298759673.db2.gz OCAUIUDKZIOYIX-QMMMGPOBSA-N -1 0 342.348 2.629 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000779846391 1298953880 /nfs/dbraw/zinc/95/38/80/1298953880.db2.gz ZOKWNNLYXMMGJZ-LBPRGKRZSA-N -1 0 332.381 2.787 20 30 EFEDRM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)C1CCCC1 ZINC000086056348 1299256544 /nfs/dbraw/zinc/25/65/44/1299256544.db2.gz UOIZAZARSFPUTO-UHFFFAOYSA-N -1 0 341.389 2.626 20 30 EFEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056269 1299256671 /nfs/dbraw/zinc/25/66/71/1299256671.db2.gz UDEOTDUJAHLHAN-VIFPVBQESA-N -1 0 333.356 2.961 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1csc(-c2ccoc2)n1 ZINC000086054892 1299257107 /nfs/dbraw/zinc/25/71/07/1299257107.db2.gz UJIQGTGPBHKUAQ-UHFFFAOYSA-N -1 0 326.399 2.980 20 30 EFEDRM CC1=NN(c2ccc(C(=O)[N-]S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000086055525 1299257279 /nfs/dbraw/zinc/25/72/79/1299257279.db2.gz TYVLEUYXCCQKLR-UHFFFAOYSA-N -1 0 335.429 2.850 20 30 EFEDRM C[C@@H]1CCCCN1N=C1C(=O)Nc2cc([O-])c(Br)cc21 ZINC000853381334 1300100517 /nfs/dbraw/zinc/10/05/17/1300100517.db2.gz AOGOYUGZQPKQAV-MRVPVSSYSA-N -1 0 338.205 2.685 20 30 EFEDRM C=C1CCC(C(=O)OCC(=O)c2ccc(OC)c3c([O-])coc32)CC1 ZINC000885649749 1300344126 /nfs/dbraw/zinc/34/41/26/1300344126.db2.gz JCNYLBLCUPDHFL-UHFFFAOYSA-N -1 0 344.363 2.743 20 30 EFEDRM O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccccc1F ZINC000112224113 1300557958 /nfs/dbraw/zinc/55/79/58/1300557958.db2.gz OSGDWBNKFUQMFF-FVOVHSBVSA-N -1 0 343.314 2.664 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2F)cc1 ZINC000088800652 1300632243 /nfs/dbraw/zinc/63/22/43/1300632243.db2.gz LWKAHZYYVGAPIT-UHFFFAOYSA-N -1 0 341.335 2.861 20 30 EFEDRM O=C(C=C1CCC1)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000088818010 1300642723 /nfs/dbraw/zinc/64/27/23/1300642723.db2.gz KRQBXSVGTGXIQO-UHFFFAOYSA-N -1 0 331.397 2.687 20 30 EFEDRM CCOC(=O)C[C@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000089574595 1300831615 /nfs/dbraw/zinc/83/16/15/1300831615.db2.gz JOIOCYUDWDNCRK-VKPPLCHCSA-N -1 0 328.752 2.962 20 30 EFEDRM O=C([N-]C[C@@H](OC1CCCC1)C(F)(F)F)C(F)(F)C(F)F ZINC000855391687 1300940308 /nfs/dbraw/zinc/94/03/08/1300940308.db2.gz SJWYBNOMAMNJSU-SSDOTTSWSA-N -1 0 325.224 2.893 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1cnc([C@H]2CCCO2)s1 ZINC000089963558 1300961022 /nfs/dbraw/zinc/96/10/22/1300961022.db2.gz BKACGFACNAMAHY-LLVKDONJSA-N -1 0 338.410 2.688 20 30 EFEDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cnn([C@H](C)CC)c1C1CC1 ZINC000089982611 1300963409 /nfs/dbraw/zinc/96/34/09/1300963409.db2.gz QBPYGIXXFVRNLU-LLVKDONJSA-N -1 0 342.465 2.623 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)C3CC3)cc2[n-]c1=S ZINC000855859452 1301146941 /nfs/dbraw/zinc/14/69/41/1301146941.db2.gz CENWPKUOIHBJNF-AWEZNQCLSA-N -1 0 343.452 2.790 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC ZINC000856031637 1301211230 /nfs/dbraw/zinc/21/12/30/1301211230.db2.gz YAGCOIHQCDAMTG-RHSMWYFYSA-N -1 0 330.428 2.610 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H]1CC[C@@H](c2ccc(C)o2)N1C(=O)OCC ZINC000856033051 1301211933 /nfs/dbraw/zinc/21/19/33/1301211933.db2.gz YWZADSBRGZWYHW-KBPBESRZSA-N -1 0 336.388 2.874 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000856032676 1301212334 /nfs/dbraw/zinc/21/23/34/1301212334.db2.gz SDWRHJAFDGETTM-HNNXBMFYSA-N -1 0 334.416 2.919 20 30 EFEDRM C=CCCO[N-]C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000856034428 1301212424 /nfs/dbraw/zinc/21/24/24/1301212424.db2.gz GVUCMINHWSKNEH-UHFFFAOYSA-N -1 0 338.201 2.674 20 30 EFEDRM C=CCCO[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000856035801 1301212449 /nfs/dbraw/zinc/21/24/49/1301212449.db2.gz JPGRRAVTOYOCLO-UHFFFAOYSA-N -1 0 337.441 2.787 20 30 EFEDRM C=CCCO[N-]C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000856035637 1301212674 /nfs/dbraw/zinc/21/26/74/1301212674.db2.gz GLZQLSGUOYXCDS-UHFFFAOYSA-N -1 0 331.821 2.516 20 30 EFEDRM N#Cc1ccnc(N2CCN(Cc3cc(Cl)c([O-])cc3F)CC2)c1 ZINC001238151913 1313771726 /nfs/dbraw/zinc/77/17/26/1313771726.db2.gz JCMWDLHJRKPASK-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC001238234965 1313788203 /nfs/dbraw/zinc/78/82/03/1313788203.db2.gz OSONRKUGNHMMKQ-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nn(C)c2ccccc21 ZINC000860464095 1301814711 /nfs/dbraw/zinc/81/47/11/1301814711.db2.gz OAYWITSSLDLUJM-AWEZNQCLSA-N -1 0 326.400 2.592 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cocc1C ZINC000860482997 1301823650 /nfs/dbraw/zinc/82/36/50/1301823650.db2.gz NYCLPBXIARMXHF-LBPRGKRZSA-N -1 0 342.351 2.915 20 30 EFEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1 ZINC000860690863 1301886226 /nfs/dbraw/zinc/88/62/26/1301886226.db2.gz HDIDKPKATMMPHG-CQSZACIVSA-N -1 0 344.802 2.504 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000860692235 1301887476 /nfs/dbraw/zinc/88/74/76/1301887476.db2.gz CGJVIVUTGITREA-UHFFFAOYSA-N -1 0 346.811 2.755 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1)c1ccccc1 ZINC000860693062 1301887727 /nfs/dbraw/zinc/88/77/27/1301887727.db2.gz CLLSYITVMQQGQM-IRXDYDNUSA-N -1 0 336.395 2.808 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCC)c1cccc(Cl)c1 ZINC000860722045 1301899020 /nfs/dbraw/zinc/89/90/20/1301899020.db2.gz QMQHSHKWRCSAJK-CQSZACIVSA-N -1 0 327.833 2.693 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cccc(OCC)c2)CC1 ZINC000860773076 1301917033 /nfs/dbraw/zinc/91/70/33/1301917033.db2.gz FCIWUBSBIMICDF-HJWRWDBZSA-N -1 0 335.425 2.653 20 30 EFEDRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014703 1301990542 /nfs/dbraw/zinc/99/05/42/1301990542.db2.gz RWVNPNOFMZNZDS-DHZHZOJOSA-N -1 0 338.404 2.636 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2[n-]c1=S ZINC000119315041 1302544776 /nfs/dbraw/zinc/54/47/76/1302544776.db2.gz WBZKSZCLXCVVTQ-RYUDHWBXSA-N -1 0 343.452 2.884 20 30 EFEDRM CCCCCCCNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC000863428708 1302610010 /nfs/dbraw/zinc/61/00/10/1302610010.db2.gz CQIWVXXEELLNOH-UHFFFAOYSA-N -1 0 343.445 2.571 20 30 EFEDRM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000119588047 1302683880 /nfs/dbraw/zinc/68/38/80/1302683880.db2.gz DBQKMQDWOKHFRS-MRXNPFEDSA-N -1 0 329.400 2.640 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(OCC)c(C(C)C)c1)C(=O)[O-] ZINC000864428283 1302931761 /nfs/dbraw/zinc/93/17/61/1302931761.db2.gz DLAUGNZRYHJXHE-AWEZNQCLSA-N -1 0 341.429 2.516 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000794723185 1303025129 /nfs/dbraw/zinc/02/51/29/1303025129.db2.gz BHGPEUZUDIJVEQ-QPJJXVBHSA-N -1 0 346.360 2.894 20 30 EFEDRM O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125681 1303027711 /nfs/dbraw/zinc/02/77/11/1303027711.db2.gz DFCOHMQGFYFUOC-UHFFFAOYSA-N -1 0 335.381 2.883 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1-n1ccnn1 ZINC000794732436 1303033732 /nfs/dbraw/zinc/03/37/32/1303033732.db2.gz PXWVARANXQPSIC-SOFGYWHQSA-N -1 0 336.307 2.777 20 30 EFEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1ccc([O-])c(Cl)c1 ZINC000865224481 1303194837 /nfs/dbraw/zinc/19/48/37/1303194837.db2.gz RRBVLRMIMQLEHY-BPJJOFIESA-N -1 0 333.775 2.712 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000794867799 1303401246 /nfs/dbraw/zinc/40/12/46/1303401246.db2.gz KMKXYWRJQMZSLT-UHFFFAOYSA-N -1 0 345.376 2.537 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000748410208 1313911229 /nfs/dbraw/zinc/91/12/29/1313911229.db2.gz DYEDJEJQNLQRJY-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM CCc1nc(C(=O)Nc2cc(C#N)ccc2[O-])nn1-c1ccccc1 ZINC000748411981 1313913018 /nfs/dbraw/zinc/91/30/18/1313913018.db2.gz FXIBJJOSQURHGU-UHFFFAOYSA-N -1 0 333.351 2.659 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000794875874 1303460705 /nfs/dbraw/zinc/46/07/05/1303460705.db2.gz XHLORSXRQPVCOX-UHFFFAOYSA-N -1 0 345.376 2.537 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c([O-])c1 ZINC000794941658 1303742122 /nfs/dbraw/zinc/74/21/22/1303742122.db2.gz UDCOQOTXYAHFFV-KXFIGUGUSA-N -1 0 325.320 2.628 20 30 EFEDRM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000748480451 1313939849 /nfs/dbraw/zinc/93/98/49/1313939849.db2.gz BQXOOOXPWLOSMM-VIFPVBQESA-N -1 0 346.289 2.726 20 30 EFEDRM Cn1cc2c(n1)CC/C(=C\c1ccc(OC(F)(F)C(=O)[O-])cc1)C2=O ZINC000794964620 1303857399 /nfs/dbraw/zinc/85/73/99/1303857399.db2.gz GIDVTHMOXJFPKH-DHZHZOJOSA-N -1 0 348.305 2.689 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000121776656 1303922082 /nfs/dbraw/zinc/92/20/82/1303922082.db2.gz MATDQPKGIBNIJB-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000121804397 1303948057 /nfs/dbraw/zinc/94/80/57/1303948057.db2.gz MCYVCBXYURQPOZ-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM CC(=NNc1cncnc1)c1cc(Br)cc(F)c1[O-] ZINC000794978246 1304018888 /nfs/dbraw/zinc/01/88/88/1304018888.db2.gz DDKQAWUDBUFREX-UHFFFAOYSA-N -1 0 325.141 2.920 20 30 EFEDRM Oc1cc(Br)c(O)c(C=NNc2cccc(F)n2)c1 ZINC000795007237 1304225960 /nfs/dbraw/zinc/22/59/60/1304225960.db2.gz VWLCMPSQVXWFIL-UHFFFAOYSA-N -1 0 326.125 2.840 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2cccc(F)n2)cc1 ZINC000795010030 1304251465 /nfs/dbraw/zinc/25/14/65/1304251465.db2.gz UCXMCNCZFPFNPF-UHFFFAOYSA-N -1 0 325.246 2.723 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000122357690 1304538262 /nfs/dbraw/zinc/53/82/62/1304538262.db2.gz JQMWLLGWXXQZBD-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM C[C@H](NC(=O)CC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000868938657 1304542142 /nfs/dbraw/zinc/54/21/42/1304542142.db2.gz WEZPDALMXYPLDD-VKHMYHEASA-N -1 0 341.158 2.853 20 30 EFEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000122393043 1304578797 /nfs/dbraw/zinc/57/87/97/1304578797.db2.gz BKVJYTIUKHJDLJ-UHFFFAOYSA-N -1 0 342.373 2.599 20 30 EFEDRM C[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2C1 ZINC000122555147 1304741082 /nfs/dbraw/zinc/74/10/82/1304741082.db2.gz QUPDSCHLIGVCKB-CMPLNLGQSA-N -1 0 327.409 2.812 20 30 EFEDRM CC[C@@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122632159 1304823403 /nfs/dbraw/zinc/82/34/03/1304823403.db2.gz BNRGDHHKFQJYLZ-IUODEOHRSA-N -1 0 325.368 2.803 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000122796066 1304988786 /nfs/dbraw/zinc/98/87/86/1304988786.db2.gz HZLGMPUOZYXDKO-ZDUSSCGKSA-N -1 0 347.321 2.546 20 30 EFEDRM O=C(C1CCCC1)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000122909983 1305099318 /nfs/dbraw/zinc/09/93/18/1305099318.db2.gz IPSWUYMHJHSTQU-XKYMITNMSA-N -1 0 331.372 2.510 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(F)c1F ZINC000870133686 1305159887 /nfs/dbraw/zinc/15/98/87/1305159887.db2.gz CYUYNHJBTQMVHR-CYBMUJFWSA-N -1 0 338.354 2.527 20 30 EFEDRM CCc1ccc(F)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000870134203 1305160306 /nfs/dbraw/zinc/16/03/06/1305160306.db2.gz KRCJJSXEQMOJKB-INIZCTEOSA-N -1 0 334.391 2.642 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1 ZINC000870135024 1305160925 /nfs/dbraw/zinc/16/09/25/1305160925.db2.gz RLLRJSZESPCDBG-OAHLLOKOSA-N -1 0 330.432 2.702 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCc1cccc2ccccc21 ZINC000870270320 1305233982 /nfs/dbraw/zinc/23/39/82/1305233982.db2.gz VCSFMSWCMLTEEZ-UHFFFAOYSA-N -1 0 330.409 2.522 20 30 EFEDRM CCc1ccc(F)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000870273889 1305236077 /nfs/dbraw/zinc/23/60/77/1305236077.db2.gz XTBCFLRSILFKAG-UHFFFAOYSA-N -1 0 338.404 2.532 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(CC)c1C)c1ccccc1 ZINC000870310401 1305255716 /nfs/dbraw/zinc/25/57/16/1305255716.db2.gz WZEGOXHZRGYHRI-DOTOQJQBSA-N -1 0 338.411 2.801 20 30 EFEDRM CC(C)COc1ccc(CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123139131 1305331303 /nfs/dbraw/zinc/33/13/03/1305331303.db2.gz VMUUHECDKDVYCQ-INIZCTEOSA-N -1 0 339.395 2.589 20 30 EFEDRM Cc1cccc(OCCCCC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000123143802 1305333668 /nfs/dbraw/zinc/33/36/68/1305333668.db2.gz AJVRCUAFNQETMR-MRXNPFEDSA-N -1 0 339.395 2.869 20 30 EFEDRM C[C@@H]1CCc2c(C([O-])=C(C#N)C(=O)c3nccn3C)csc2C1 ZINC000123272378 1305503915 /nfs/dbraw/zinc/50/39/15/1305503915.db2.gz AMCCIPJCVIZFKM-ZYHUDNBSSA-N -1 0 327.409 2.812 20 30 EFEDRM C[C@H](CCc1cccc(F)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123357859 1305624501 /nfs/dbraw/zinc/62/45/01/1305624501.db2.gz INXDJOFTVXVNPQ-DOMZBBRYSA-N -1 0 327.359 2.720 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000123361475 1305648950 /nfs/dbraw/zinc/64/89/50/1305648950.db2.gz BIYOSLWJBULUTP-AKCHCHLHSA-N -1 0 333.391 2.606 20 30 EFEDRM Cc1ccc(OCCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1C ZINC000123368351 1305654136 /nfs/dbraw/zinc/65/41/36/1305654136.db2.gz HLLCEBBLDCZJSH-INIZCTEOSA-N -1 0 339.395 2.788 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC001241183173 1314100823 /nfs/dbraw/zinc/10/08/23/1314100823.db2.gz LTUBDZYAPHNCMV-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001241442358 1314119585 /nfs/dbraw/zinc/11/95/85/1314119585.db2.gz HOJIXWBWGYVCDP-UHFFFAOYSA-N -1 0 347.382 2.785 20 30 EFEDRM CCCS(=O)(=O)[N-]c1c(C#N)c(SC)sc1C(=O)OCC ZINC001253608455 1306514107 /nfs/dbraw/zinc/51/41/07/1306514107.db2.gz GFHZQIGUSRQAHY-UHFFFAOYSA-N -1 0 348.471 2.670 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000796604367 1306714502 /nfs/dbraw/zinc/71/45/02/1306714502.db2.gz JYYJJRLNHBRGIT-MRXNPFEDSA-N -1 0 342.420 2.888 20 30 EFEDRM N#CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000796611635 1306791024 /nfs/dbraw/zinc/79/10/24/1306791024.db2.gz MIZVCPIRGFBPLE-AWEZNQCLSA-N -1 0 346.383 2.718 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](F)CC2CCCCC2)cc1 ZINC000796616067 1306847800 /nfs/dbraw/zinc/84/78/00/1306847800.db2.gz XJJZCBUPACQCTD-HNNXBMFYSA-N -1 0 338.404 2.672 20 30 EFEDRM COc1ccc(-c2nccc(C#N)c2C(OC)OC)cc1C(=O)[O-] ZINC001241855877 1314157567 /nfs/dbraw/zinc/15/75/67/1314157567.db2.gz GYYGQKPXQMTEOQ-UHFFFAOYSA-N -1 0 328.324 2.618 20 30 EFEDRM COc1ccc(-c2nccc(/C=N/O)c2C(OC)OC)cc1C(=O)[O-] ZINC001241855908 1314157575 /nfs/dbraw/zinc/15/75/75/1314157575.db2.gz IPQAHRIFGORCHG-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412653 1316239104 /nfs/dbraw/zinc/23/91/04/1316239104.db2.gz OHCWPYSOBPZTJC-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1cc(-c2ccsc2)sc1C(N)=O ZINC001259922985 1316298394 /nfs/dbraw/zinc/29/83/94/1316298394.db2.gz MKRUEZCQQWWSNG-UHFFFAOYSA-N -1 0 328.440 2.503 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260195535 1316322241 /nfs/dbraw/zinc/32/22/41/1316322241.db2.gz BBRUUJOMPBSTEV-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260868959 1316374944 /nfs/dbraw/zinc/37/49/44/1316374944.db2.gz UOGYBXBHXCIKQI-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CCC[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000900287466 1307889654 /nfs/dbraw/zinc/88/96/54/1307889654.db2.gz HIMJCNVIIMQUMR-CYBMUJFWSA-N -1 0 342.317 2.609 20 30 EFEDRM CCC[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000900287467 1307889880 /nfs/dbraw/zinc/88/98/80/1307889880.db2.gz HIMJCNVIIMQUMR-ZDUSSCGKSA-N -1 0 342.317 2.609 20 30 EFEDRM C[NH+]1CCN(c2nc3ccccc3nc2-c2ccc(O)c(C#N)c2)CC1 ZINC001242563051 1314216184 /nfs/dbraw/zinc/21/61/84/1314216184.db2.gz QYRXVDVKEKVZBF-UHFFFAOYSA-N -1 0 345.406 2.626 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1Cl)C(=O)[O-] ZINC000900337394 1308003152 /nfs/dbraw/zinc/00/31/52/1308003152.db2.gz HNOPASFBXXGCPO-JTQLQIEISA-N -1 0 342.779 2.898 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)C(=O)[O-] ZINC000900346313 1308023871 /nfs/dbraw/zinc/02/38/71/1308023871.db2.gz GFFCMTXXKNTWLI-VIFPVBQESA-N -1 0 326.736 2.610 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(OC(C)(C)C)c1)C(=O)[O-] ZINC000900351652 1308036744 /nfs/dbraw/zinc/03/67/44/1308036744.db2.gz RJPBKXLJYWUBBU-AWEZNQCLSA-N -1 0 336.388 2.641 20 30 EFEDRM COc1c(C(=O)[O-])cccc1-c1nccc(/C=N/O)c1C(OC)OC ZINC001242922102 1314245438 /nfs/dbraw/zinc/24/54/38/1314245438.db2.gz VFULPQGTXIDDDO-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM Cc1[nH]c(C=NNC(=S)Nc2cc(C)ccc2C)cc1C(=O)[O-] ZINC000800805526 1308452988 /nfs/dbraw/zinc/45/29/88/1308452988.db2.gz ZTLXSLUQHODSML-UHFFFAOYSA-N -1 0 330.413 2.959 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000800839236 1308524748 /nfs/dbraw/zinc/52/47/48/1308524748.db2.gz AXRUGYDBOLGLKT-NSHDSACASA-N -1 0 346.364 2.507 20 30 EFEDRM COc1ccc(Nc2ccc(NC(C)=O)c(C#N)c2)cc1C(=O)[O-] ZINC001209903388 1314257355 /nfs/dbraw/zinc/25/73/55/1314257355.db2.gz KYITTWVNTZYWPV-UHFFFAOYSA-N -1 0 325.324 2.967 20 30 EFEDRM COCCN(CCC(=O)[O-])c1c(C#N)cnc2c(Cl)cc(C)cc21 ZINC000900979808 1309105134 /nfs/dbraw/zinc/10/51/34/1309105134.db2.gz PPHNMXUVQNHSEM-UHFFFAOYSA-N -1 0 347.802 2.996 20 30 EFEDRM CCCCCCCC[C@H](N)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000901009008 1309178438 /nfs/dbraw/zinc/17/84/38/1309178438.db2.gz YYGANBHUSVIHSW-LBPRGKRZSA-N -1 0 332.491 2.631 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000901164395 1309654513 /nfs/dbraw/zinc/65/45/13/1309654513.db2.gz PIGNDIQOMSVVHQ-UHFFFAOYSA-N -1 0 341.440 2.962 20 30 EFEDRM O=C([O-])c1ccc2scc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)c2c1 ZINC000901206283 1309832743 /nfs/dbraw/zinc/83/27/43/1309832743.db2.gz KBBABVAMQZZXDN-KBPBESRZSA-N -1 0 342.424 2.793 20 30 EFEDRM N#Cc1c2c(cnc1-c1ccc(NC(=O)CCC(=O)[O-])cc1)CCC2 ZINC001244031310 1314345791 /nfs/dbraw/zinc/34/57/91/1314345791.db2.gz LIZQUBNMNUFSLH-UHFFFAOYSA-N -1 0 335.363 2.912 20 30 EFEDRM CC1(C)OCC[C@@H]1NN=Cc1cc(C(=O)[O-])ccc1Br ZINC000901248689 1309967577 /nfs/dbraw/zinc/96/75/77/1309967577.db2.gz GWDTXSGBSOTAPW-LBPRGKRZSA-N -1 0 341.205 2.638 20 30 EFEDRM CC1(C)OCC[C@H]1NN=Cc1cc(C(=O)[O-])ccc1Br ZINC000901248688 1309967964 /nfs/dbraw/zinc/96/79/64/1309967964.db2.gz GWDTXSGBSOTAPW-GFCCVEGCSA-N -1 0 341.205 2.638 20 30 EFEDRM C[C@H]1CC(NN=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000901311869 1310113711 /nfs/dbraw/zinc/11/37/11/1310113711.db2.gz XHUYGJFJTIOJOU-QWRGUYRKSA-N -1 0 342.342 2.622 20 30 EFEDRM C=CCCC(=O)COC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000801414423 1310141588 /nfs/dbraw/zinc/14/15/88/1310141588.db2.gz ZISYABKOSIOKTF-UHFFFAOYSA-N -1 0 332.331 2.718 20 30 EFEDRM CC(=NN[C@@H]1CCCC[C@H]1O)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000901334244 1310169720 /nfs/dbraw/zinc/16/97/20/1310169720.db2.gz HTIXPZCTMVWLLW-HZPDHXFCSA-N -1 0 344.411 2.985 20 30 EFEDRM CCOc1ccc(C(=O)[O-])cc1-c1ccc(C(=O)OC)nc1C#N ZINC001244421849 1314379233 /nfs/dbraw/zinc/37/92/33/1314379233.db2.gz LWFWVUHBOUORCU-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM CCOc1ccc(C(=O)[O-])cc1-c1ncc(C#N)cc1C(=O)OC ZINC001244420551 1314379306 /nfs/dbraw/zinc/37/93/06/1314379306.db2.gz OGTHBCMYXOPLAP-UHFFFAOYSA-N -1 0 326.308 2.504 20 30 EFEDRM O=C([O-])c1coc2c1C(=O)/C(=C/c1cnc(N3CCCC3)nc1)CC2 ZINC000901514901 1310592843 /nfs/dbraw/zinc/59/28/43/1310592843.db2.gz KKNLUICVMLOLGD-KPKJPENVSA-N -1 0 339.351 2.581 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)nn1 ZINC000901523768 1310605399 /nfs/dbraw/zinc/60/53/99/1310605399.db2.gz HCDKSERUJRMKLC-YVMONPNESA-N -1 0 329.356 2.609 20 30 EFEDRM O=C([O-])CCOc1ccccc1/C=C\C(=O)c1cc2n(n1)CCC2 ZINC000901560829 1310669327 /nfs/dbraw/zinc/66/93/27/1310669327.db2.gz NSFZXHGFPVDAQN-FPLPWBNLSA-N -1 0 326.352 2.579 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C)/C(=C\c1c(C(=O)[O-])cnn1C)C2=O ZINC000901577736 1310690984 /nfs/dbraw/zinc/69/09/84/1310690984.db2.gz DPIJCYQMVDEFEQ-WWNSAXIVSA-N -1 0 326.352 2.585 20 30 EFEDRM CCCc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1CCC#N ZINC000901618123 1310767242 /nfs/dbraw/zinc/76/72/42/1310767242.db2.gz RIZFJUBRMNXPLK-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1C#N ZINC000901766922 1311019530 /nfs/dbraw/zinc/01/95/30/1311019530.db2.gz CXIXNTHUKIPYRD-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CC(C)CON=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000749625484 1311035669 /nfs/dbraw/zinc/03/56/69/1311035669.db2.gz CDATXMACNROLKI-UHFFFAOYSA-N -1 0 330.178 2.919 20 30 EFEDRM C=CCOC[C@@H](NCc1ccc(Sc2ccccn2)o1)C(=O)[O-] ZINC000901808269 1311054139 /nfs/dbraw/zinc/05/41/39/1311054139.db2.gz CJOQJIPNZXHOTJ-CYBMUJFWSA-N -1 0 334.397 2.571 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1nc(-c2ccccc2)no1 ZINC000751133133 1311108819 /nfs/dbraw/zinc/10/88/19/1311108819.db2.gz MLWRMMBUBYIYID-UHFFFAOYSA-N -1 0 325.284 2.796 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)nc2C)n1 ZINC000751771171 1311136895 /nfs/dbraw/zinc/13/68/95/1311136895.db2.gz JADPFHNUBPWMNF-NSHDSACASA-N -1 0 349.799 2.842 20 30 EFEDRM N#CCN1CC[C@H](OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222939434 1311200846 /nfs/dbraw/zinc/20/08/46/1311200846.db2.gz ANGDZWXFPUABIC-XEVDPLJKSA-N -1 0 329.734 2.725 20 30 EFEDRM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001222940854 1311201432 /nfs/dbraw/zinc/20/14/32/1311201432.db2.gz YXKLSFWCLHYNKB-CMULZZLNSA-N -1 0 333.718 2.889 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1 ZINC000802040751 1311256730 /nfs/dbraw/zinc/25/67/30/1311256730.db2.gz JYEHQQTWQDYWLA-NSHDSACASA-N -1 0 325.324 2.522 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1 ZINC000802040750 1311256904 /nfs/dbraw/zinc/25/69/04/1311256904.db2.gz JYEHQQTWQDYWLA-LLVKDONJSA-N -1 0 325.324 2.522 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(C3CC3)n2)cc1 ZINC000802041801 1311259385 /nfs/dbraw/zinc/25/93/85/1311259385.db2.gz FVPRTUSHBGRPMT-ZDUSSCGKSA-N -1 0 325.324 2.522 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1 ZINC000802056347 1311283344 /nfs/dbraw/zinc/28/33/44/1311283344.db2.gz KKQUDUOYZMREOO-VIFPVBQESA-N -1 0 335.772 2.858 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])O[C@H]2Cc3ccncc3[C@H]2C)c1 ZINC001223891520 1311316391 /nfs/dbraw/zinc/31/63/91/1311316391.db2.gz MDVYIIUEUDUPGV-PCBGQLAASA-N -1 0 328.368 2.980 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC[C@H]2Cc3ccccc3O2)c1 ZINC001223892742 1311316413 /nfs/dbraw/zinc/31/64/13/1311316413.db2.gz LHDFBDFCAZYGLJ-ORIGZDJFSA-N -1 0 329.352 2.860 20 30 EFEDRM CCOC(=O)[C@H]1CCC[C@@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892947 1311316874 /nfs/dbraw/zinc/31/68/74/1311316874.db2.gz NZZBTHVZFFTHQY-DRDQUXLZSA-N -1 0 337.372 2.588 20 30 EFEDRM CCCCOC(=O)[C@@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893481 1311317121 /nfs/dbraw/zinc/31/71/21/1311317121.db2.gz WQIRDQXIXJYVBZ-PTGFTAGUSA-N -1 0 325.361 2.588 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccc2ccsc21 ZINC001224030036 1311333643 /nfs/dbraw/zinc/33/36/43/1311333643.db2.gz KZCCJNKAELMMLQ-AWEZNQCLSA-N -1 0 342.438 2.877 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Cl)c2ncccc12 ZINC000802114385 1311360439 /nfs/dbraw/zinc/36/04/39/1311360439.db2.gz CQSCKXVUDJEWEQ-LBPRGKRZSA-N -1 0 338.754 2.827 20 30 EFEDRM C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OCCS(=O)(=O)[O-])[C@@H]12 ZINC001224572307 1311409283 /nfs/dbraw/zinc/40/92/83/1311409283.db2.gz RPGCTRHUCQGYSS-FBHBFLDISA-N -1 0 338.425 2.918 20 30 EFEDRM O=[P@@]([O-])(O)CCO[C@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224601278 1311412437 /nfs/dbraw/zinc/41/24/37/1311412437.db2.gz FPJSOJJCQGBGJE-SFHVURJKSA-N -1 0 328.304 2.878 20 30 EFEDRM O=[P@]([O-])(O)CCO[C@@H](/C(=N\O)c1ccccc1)c1ccccc1 ZINC001224608130 1311413318 /nfs/dbraw/zinc/41/33/18/1311413318.db2.gz ZRKKALSBVONFHD-CFBLSMTOSA-N -1 0 335.296 2.801 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1ccc(C)c(Cl)n1 ZINC001158964816 1311425508 /nfs/dbraw/zinc/42/55/08/1311425508.db2.gz JAHHEICHVQPZCQ-UHFFFAOYSA-N -1 0 341.705 2.888 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cnc(Cl)cc1C ZINC001158965860 1311425796 /nfs/dbraw/zinc/42/57/96/1311425796.db2.gz ZQOAEJVISXYDGV-UHFFFAOYSA-N -1 0 341.705 2.888 20 30 EFEDRM N#C[C@@H](OCCc1ccc(S(=O)(=O)[O-])cc1)c1cccc(F)c1 ZINC001224903296 1311448738 /nfs/dbraw/zinc/44/87/38/1311448738.db2.gz PKZYCQCPWWDLAB-MRXNPFEDSA-N -1 0 335.356 2.896 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(N(C)C)c2)c1 ZINC000802213042 1311464861 /nfs/dbraw/zinc/46/48/61/1311464861.db2.gz MMCMLMONHUINGV-SFHVURJKSA-N -1 0 335.407 2.700 20 30 EFEDRM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000802213306 1311467891 /nfs/dbraw/zinc/46/78/91/1311467891.db2.gz VMGVPAVVPHJQMB-AWEZNQCLSA-N -1 0 343.333 2.616 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)co1 ZINC000802213375 1311468125 /nfs/dbraw/zinc/46/81/25/1311468125.db2.gz XRXYOAXOPRHOGT-LBPRGKRZSA-N -1 0 347.321 2.544 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(Cl)cc(Cl)c1 ZINC001225233677 1311492508 /nfs/dbraw/zinc/49/25/08/1311492508.db2.gz LCMONHPWCDLEEK-LBPRGKRZSA-N -1 0 341.212 2.831 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(C)(C)C)cc1 ZINC001225256883 1311495884 /nfs/dbraw/zinc/49/58/84/1311495884.db2.gz CCHQSOQAVUMTKI-OAHLLOKOSA-N -1 0 328.430 2.822 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c(CC)c1 ZINC001225316816 1311506840 /nfs/dbraw/zinc/50/68/40/1311506840.db2.gz QNHYMJAEPQLXOX-ZDUSSCGKSA-N -1 0 334.821 2.740 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@@H](Oc2ccc3c(c2)OCC3=O)C1 ZINC001225342806 1311509745 /nfs/dbraw/zinc/50/97/45/1311509745.db2.gz LYHUMDJJLZRLDH-QGZVFWFLSA-N -1 0 334.375 2.787 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225492389 1311531864 /nfs/dbraw/zinc/53/18/64/1311531864.db2.gz WKZUSXCDSWJGBZ-MRXNPFEDSA-N -1 0 339.351 2.825 20 30 EFEDRM C#C[C@H](C)Oc1c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c2c1=O ZINC001225624965 1311555992 /nfs/dbraw/zinc/55/59/92/1311555992.db2.gz GBOLCWHRZRJZGQ-JTQLQIEISA-N -1 0 338.315 2.977 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(Cl)ccc(C)c1F ZINC001225933664 1311591864 /nfs/dbraw/zinc/59/18/64/1311591864.db2.gz SUVUPUGDNFURQV-SNVBAGLBSA-N -1 0 338.784 2.625 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(Cl)ccc(C)c1F ZINC001225933660 1311592131 /nfs/dbraw/zinc/59/21/31/1311592131.db2.gz SUVUPUGDNFURQV-JTQLQIEISA-N -1 0 338.784 2.625 20 30 EFEDRM CCCCOC[C@@H](C)OC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009080 1311600959 /nfs/dbraw/zinc/60/09/59/1311600959.db2.gz RMGQZKDRMTWNKY-VXGBXAGGSA-N -1 0 326.368 2.787 20 30 EFEDRM CCN(CC)C(=O)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1 ZINC001226007969 1311601000 /nfs/dbraw/zinc/60/10/00/1311601000.db2.gz CAKTXISCPCOJRO-OAHLLOKOSA-N -1 0 343.358 2.786 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]c(=O)c(F)cc1C#N ZINC001226009200 1311601042 /nfs/dbraw/zinc/60/10/42/1311601042.db2.gz USQBIUZVBWBXKS-GFCCVEGCSA-N -1 0 332.718 2.911 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2Oc1[n-]c(=O)c(F)cc1C#N ZINC001226012578 1311601443 /nfs/dbraw/zinc/60/14/43/1311601443.db2.gz BKUMAIMPNNWNDV-WZRBSPASSA-N -1 0 349.362 2.575 20 30 EFEDRM Cc1cc(=O)[n-]c(OC[C@H]2CN(c3cccc(F)c3)C(=O)O2)c1C#N ZINC001226221246 1311632832 /nfs/dbraw/zinc/63/28/32/1311632832.db2.gz KEFQRTYTBZBSPR-CYBMUJFWSA-N -1 0 343.314 2.511 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N ZINC001226221027 1311632888 /nfs/dbraw/zinc/63/28/88/1311632888.db2.gz GMLLJQSPSLWHFZ-VIFPVBQESA-N -1 0 343.295 2.744 20 30 EFEDRM O/N=C/c1ccnc(O[C@H]2CC=C[C@@H]2COCc2ccccc2)n1 ZINC001226254064 1311637680 /nfs/dbraw/zinc/63/76/80/1311637680.db2.gz PWCILLIHCZPBAR-HVAXUPDISA-N -1 0 325.368 2.825 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1nccc(/C=N/O)n1)C2 ZINC001226254425 1311637887 /nfs/dbraw/zinc/63/78/87/1311637887.db2.gz XQOPZKUIEWLJDZ-TWYJAXSZSA-N -1 0 348.403 2.594 20 30 EFEDRM C#CC(C#C)Oc1cc([O-])cc2occ(-c3ccc(O)cc3)c(=O)c12 ZINC001226500643 1311677418 /nfs/dbraw/zinc/67/74/18/1311677418.db2.gz LYVJTSRRTKUNEV-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM C=C[C@@H](CCCCCC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-] ZINC001226650076 1311702125 /nfs/dbraw/zinc/70/21/25/1311702125.db2.gz OVRNLSRDYBEBSA-JTQLQIEISA-N -1 0 339.348 2.781 20 30 EFEDRM C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)nnc2Br)C(C)(C)O1 ZINC001227067594 1311758014 /nfs/dbraw/zinc/75/80/14/1311758014.db2.gz ZXLDVHRALHNBGT-SDBXPKJASA-N -1 0 344.209 2.621 20 30 EFEDRM C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)nnc2Br)C(C)(C)O1 ZINC001227067592 1311758258 /nfs/dbraw/zinc/75/82/58/1311758258.db2.gz ZXLDVHRALHNBGT-ISVAXAHUSA-N -1 0 344.209 2.621 20 30 EFEDRM C=CC[C@H](CCC)Oc1nc(=O)[n-]c(C(=O)OC)c1Br ZINC001227328692 1311794249 /nfs/dbraw/zinc/79/42/49/1311794249.db2.gz IWHALXXMFRBUEQ-MRVPVSSYSA-N -1 0 345.193 2.855 20 30 EFEDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)CS)c1[O-] ZINC001227494689 1311812519 /nfs/dbraw/zinc/81/25/19/1311812519.db2.gz GFANBXDANCGUSN-ZETCQYMHSA-N -1 0 334.415 2.504 20 30 EFEDRM CCC#C[C@H](C)Oc1c([O-])c(C(=O)OCC)sc1C(=O)OCC ZINC001227495843 1311812630 /nfs/dbraw/zinc/81/26/30/1311812630.db2.gz YJTWSIOXIBSRGM-JTQLQIEISA-N -1 0 340.397 2.988 20 30 EFEDRM C=CC[C@@H](CCC)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227595436 1311826331 /nfs/dbraw/zinc/82/63/31/1311826331.db2.gz YTOPJYDLNZIFHE-ZETCQYMHSA-N -1 0 327.182 2.945 20 30 EFEDRM C=CC[C@@H](Oc1[nH]c(=O)nc2nc(Br)[n-]c21)C(C)C ZINC001227598086 1311826449 /nfs/dbraw/zinc/82/64/49/1311826449.db2.gz UFANZXZFDLHSRR-SSDOTTSWSA-N -1 0 327.182 2.801 20 30 EFEDRM C=CCOCC(COCC=C)Oc1n[n-]c(=O)c(Cl)c1Cl ZINC001227601863 1311827252 /nfs/dbraw/zinc/82/72/52/1311827252.db2.gz IICXMPBQCVJTIJ-UHFFFAOYSA-N -1 0 335.187 2.642 20 30 EFEDRM COC(=O)c1sc(C(=O)OC)c(O[C@H](C)CC(C)(C)S)c1[O-] ZINC001227621939 1311832055 /nfs/dbraw/zinc/83/20/55/1311832055.db2.gz JMIOOBCDZUIIFU-SSDOTTSWSA-N -1 0 348.442 2.893 20 30 EFEDRM C#C[C@H](CCCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227620379 1311832316 /nfs/dbraw/zinc/83/23/16/1311832316.db2.gz GBJHUDQODFVMOO-SNVBAGLBSA-N -1 0 340.397 2.988 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(CCCC)cc1 ZINC001227622260 1311832459 /nfs/dbraw/zinc/83/24/59/1311832459.db2.gz JXFUSGQSMIEQDG-MRXNPFEDSA-N -1 0 328.430 2.867 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1-c1ccccc1 ZINC001227974227 1311882635 /nfs/dbraw/zinc/88/26/35/1311882635.db2.gz BUELMBUNPCXTRS-HNNXBMFYSA-N -1 0 349.408 2.586 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1[n-]ncc(=O)c1Cl ZINC001228389759 1311940343 /nfs/dbraw/zinc/94/03/43/1311940343.db2.gz FXMNGZAIDLLAQI-SNVBAGLBSA-N -1 0 325.151 2.949 20 30 EFEDRM CCOC(=O)Cc1cnc(=S)[nH]c1O[C@@H](CC#N)c1ccccc1 ZINC001228714409 1311987269 /nfs/dbraw/zinc/98/72/69/1311987269.db2.gz QDGFAPFGKBEEHS-AWEZNQCLSA-N -1 0 343.408 2.905 20 30 EFEDRM CCOC(=O)Cc1cnc(=S)[nH]c1O[C@@H](C)C#C[Si](C)(C)C ZINC001228714451 1311987612 /nfs/dbraw/zinc/98/76/12/1311987612.db2.gz QUAVJBYRSUVUHB-NSHDSACASA-N -1 0 338.505 2.519 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc3ccccc3nn2)cc1C#N ZINC001277329077 1311998353 /nfs/dbraw/zinc/99/83/53/1311998353.db2.gz SESJEMSDJAWFKR-UHFFFAOYSA-N -1 0 337.364 2.576 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CCC1 ZINC000802768478 1312000226 /nfs/dbraw/zinc/00/02/26/1312000226.db2.gz HISBSECPHRHLHP-SOUVJXGZSA-N -1 0 338.473 2.733 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1 ZINC000802768476 1312000381 /nfs/dbraw/zinc/00/03/81/1312000381.db2.gz HISBSECPHRHLHP-RBSFLKMASA-N -1 0 338.473 2.733 20 30 EFEDRM CC[C@H]1OC(C)=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C1=O ZINC001228858125 1312011332 /nfs/dbraw/zinc/01/13/32/1312011332.db2.gz CZUWSICITWLYDN-SSDOTTSWSA-N -1 0 348.233 2.702 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898074 1312016340 /nfs/dbraw/zinc/01/63/40/1312016340.db2.gz BPAUJBOONPIKDV-FZKQIMNGSA-N -1 0 345.399 2.827 20 30 EFEDRM C[C@H]1C[C@@H](Oc2[n-]c(=O)ccc2C#N)CCN1C(=O)OC(C)(C)C ZINC001228898118 1312016449 /nfs/dbraw/zinc/01/64/49/1312016449.db2.gz CBFGZDHUKUOFEY-AAEUAGOBSA-N -1 0 333.388 2.826 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1[n-]c(=O)ccc1C#N ZINC001228898307 1312016715 /nfs/dbraw/zinc/01/67/15/1312016715.db2.gz FMIXTKHPFQEVOW-NNQSOWQGSA-N -1 0 345.399 2.683 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]c(=O)ccc3C#N)C[C@@H]21 ZINC001228898910 1312017108 /nfs/dbraw/zinc/01/71/08/1312017108.db2.gz OUPMRIHVHSIVQA-BNOWGMLFSA-N -1 0 345.399 2.826 20 30 EFEDRM C#C[C@H](CCCCC)Oc1nc[n-]c(=O)c1I ZINC001228927192 1312021345 /nfs/dbraw/zinc/02/13/45/1312021345.db2.gz CDHALSSUWRQADZ-SECBINFHSA-N -1 0 346.168 2.748 20 30 EFEDRM C=CCC[C@H](CC)Oc1nc[n-]c(=O)c1I ZINC001228932346 1312022607 /nfs/dbraw/zinc/02/26/07/1312022607.db2.gz DRFDILFJJAGLLT-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM C=CC[C@@H](Oc1nc[n-]c(=O)c1I)C(C)C ZINC001228932635 1312022836 /nfs/dbraw/zinc/02/28/36/1312022836.db2.gz IIDXLBXJYFIAOZ-MRVPVSSYSA-N -1 0 334.157 2.766 20 30 EFEDRM C=CC[C@@H](CCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228946520 1312024566 /nfs/dbraw/zinc/02/45/66/1312024566.db2.gz LFRVUCIVMXKTDZ-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM CCCCCCCC(=O)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1 ZINC001229377678 1312085951 /nfs/dbraw/zinc/08/59/51/1312085951.db2.gz PYJBGZXJPKOMDY-MRXNPFEDSA-N -1 0 336.384 2.971 20 30 EFEDRM C#C[C@@H](COc1cccc(Cl)c1)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378375 1312085960 /nfs/dbraw/zinc/08/59/60/1312085960.db2.gz KRHNRXZYIIJTPN-NSHDSACASA-N -1 0 349.730 2.512 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@@H](C)CON ZINC001229411911 1312092754 /nfs/dbraw/zinc/09/27/54/1312092754.db2.gz WNPRNJJBDPVZEM-XOVSCCBYSA-N -1 0 343.379 2.955 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC[C@@H]1CCCO1 ZINC000113651187 1312100984 /nfs/dbraw/zinc/10/09/84/1312100984.db2.gz FZEOCCWSIOLSPE-DZGCQCFKSA-N -1 0 340.379 2.564 20 30 EFEDRM C#C[C@H](Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccncc1 ZINC001229622778 1312121482 /nfs/dbraw/zinc/12/14/82/1312121482.db2.gz GBTVLHBXLDOWBO-JKSUJKDBSA-N -1 0 338.388 2.729 20 30 EFEDRM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1ccc([S-])cc1C ZINC001229634408 1312121609 /nfs/dbraw/zinc/12/16/09/1312121609.db2.gz IGUKMLPMUQAKIC-CYBMUJFWSA-N -1 0 336.409 2.880 20 30 EFEDRM C#C[C@@H](Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001229792991 1312140748 /nfs/dbraw/zinc/14/07/48/1312140748.db2.gz WDPXCTHLRQRVSV-LLVKDONJSA-N -1 0 346.368 2.741 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803030024 1312215289 /nfs/dbraw/zinc/21/52/89/1312215289.db2.gz YJSATPALNLRVJF-LLVKDONJSA-N -1 0 339.438 2.687 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(O)cccc1C(C)(C)C ZINC001230372833 1312231606 /nfs/dbraw/zinc/23/16/06/1312231606.db2.gz IGLXBNCBBXGNAK-LBPRGKRZSA-N -1 0 344.429 2.528 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000803055557 1312236973 /nfs/dbraw/zinc/23/69/73/1312236973.db2.gz IIERNCYOBGFIRK-UHFFFAOYSA-N -1 0 348.811 2.514 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(Br)ccc2[O-])ccc1F ZINC000803172695 1312324156 /nfs/dbraw/zinc/32/41/56/1312324156.db2.gz UJXQAWHBTOIYHC-UHFFFAOYSA-N -1 0 336.120 2.813 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2C#N)s1 ZINC000903092339 1312346984 /nfs/dbraw/zinc/34/69/84/1312346984.db2.gz CYFNZZUBZPLOFQ-UHFFFAOYSA-N -1 0 336.442 2.862 20 30 EFEDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C)c2C#N)n1 ZINC000903120492 1312374634 /nfs/dbraw/zinc/37/46/34/1312374634.db2.gz OPKHUOFUPYZFNA-UHFFFAOYSA-N -1 0 328.397 2.643 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)cc(C)n2)cc1C ZINC000903141747 1312402207 /nfs/dbraw/zinc/40/22/07/1312402207.db2.gz WZSFVFZPTIUYKY-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)cn1CC1CC1 ZINC000903150264 1312412406 /nfs/dbraw/zinc/41/24/06/1312412406.db2.gz PJPRMNXOIOKIEM-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C#N)c1C ZINC000903168498 1312425457 /nfs/dbraw/zinc/42/54/57/1312425457.db2.gz KXOCNLBPBJDPDW-UHFFFAOYSA-N -1 0 336.442 2.570 20 30 EFEDRM N#CCCN(Cc1cccnc1)c1nc[n-]c2nc(=S)sc1-2 ZINC001164010223 1312427204 /nfs/dbraw/zinc/42/72/04/1312427204.db2.gz NGAPSTUJMSBBGJ-UHFFFAOYSA-N -1 0 328.426 2.690 20 30 EFEDRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C#N ZINC000903173025 1312428705 /nfs/dbraw/zinc/42/87/05/1312428705.db2.gz JIKGAENTMOZVRD-UHFFFAOYSA-N -1 0 332.429 2.600 20 30 EFEDRM N#C[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001231228821 1312458263 /nfs/dbraw/zinc/45/82/63/1312458263.db2.gz WSHREBXAFNCAPX-AWEZNQCLSA-N -1 0 333.231 2.991 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)nc1 ZINC000903248932 1312501002 /nfs/dbraw/zinc/50/10/02/1312501002.db2.gz OUZMTXGCOZSLLR-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM N#CC1CN(Cc2cc(Cl)c([O-])c(Br)c2)CCC1=O ZINC001231748922 1312559152 /nfs/dbraw/zinc/55/91/52/1312559152.db2.gz SGOIBEKCTLZDDF-VIFPVBQESA-N -1 0 343.608 2.723 20 30 EFEDRM COc1cc(C#N)cc(-c2cc(CC(=O)[O-])ccc2F)c1OC(C)=O ZINC001245316107 1314468433 /nfs/dbraw/zinc/46/84/33/1314468433.db2.gz IHTIDQMEOYZMSW-UHFFFAOYSA-N -1 0 343.310 2.925 20 30 EFEDRM Cc1nc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(C#N)cc1C#N ZINC001213181366 1314518272 /nfs/dbraw/zinc/51/82/72/1314518272.db2.gz ZMHNDJNGTAJNGC-UHFFFAOYSA-N -1 0 349.350 2.680 20 30 EFEDRM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1c([O-])cccc1F ZINC001245652819 1314520844 /nfs/dbraw/zinc/52/08/44/1314520844.db2.gz IJVUJOWUPOPFDV-JTQLQIEISA-N -1 0 337.310 2.922 20 30 EFEDRM COc1ccc(-c2cc(=O)n(C(=O)c3ccc(C#N)cc3)[n-]2)cc1OC ZINC001245929942 1314551321 /nfs/dbraw/zinc/55/13/21/1314551321.db2.gz JOBXFSUIRLVRHC-UHFFFAOYSA-N -1 0 349.346 2.833 20 30 EFEDRM CSc1ncccc1C(=O)n1[n-]c(-c2cccc(C#N)c2)cc1=O ZINC001245936708 1314551856 /nfs/dbraw/zinc/55/18/56/1314551856.db2.gz DWBWXXZKGINLMN-UHFFFAOYSA-N -1 0 336.376 2.933 20 30 EFEDRM COc1cnc(SC)nc1-n1[n-]c(-c2cccc(C#N)c2)cc1=O ZINC001245936562 1314552061 /nfs/dbraw/zinc/55/20/61/1314552061.db2.gz AUWUSBCSXKTABE-UHFFFAOYSA-N -1 0 339.380 2.637 20 30 EFEDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000119056919 1314570957 /nfs/dbraw/zinc/57/09/57/1314570957.db2.gz VVBJTUBXPKZYKR-SMDDNHRTSA-N -1 0 329.787 2.844 20 30 EFEDRM COC(=O)c1ccc(Nc2cc(OC)cc(C(=O)[O-])c2)c(C#N)c1 ZINC001213599384 1314579639 /nfs/dbraw/zinc/57/96/39/1314579639.db2.gz DMGGEEYYRSNIBL-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM N#Cc1cnccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001214015121 1314635477 /nfs/dbraw/zinc/63/54/77/1314635477.db2.gz BTKRKUMQNAILCZ-UHFFFAOYSA-N -1 0 341.326 2.600 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119685521 1314688571 /nfs/dbraw/zinc/68/85/71/1314688571.db2.gz VLTCMTULDCTGER-GFCCVEGCSA-N -1 0 335.747 2.629 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1-c1ccccc1 ZINC000119798655 1314707447 /nfs/dbraw/zinc/70/74/47/1314707447.db2.gz ODUHRGUWBUECPP-INIZCTEOSA-N -1 0 336.395 2.562 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Br)c1 ZINC000119821691 1314714349 /nfs/dbraw/zinc/71/43/49/1314714349.db2.gz JPNFALJHBXFGGM-CYBMUJFWSA-N -1 0 335.201 2.830 20 30 EFEDRM CCOC(=O)c1c(C)oc(Nc2cnc(F)c(C(=O)[O-])c2)c1C#N ZINC001215105270 1314782478 /nfs/dbraw/zinc/78/24/78/1314782478.db2.gz SUXAFAXNCYNCPY-UHFFFAOYSA-N -1 0 333.275 2.612 20 30 EFEDRM C=CCCCNC(=S)Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001247761479 1314836797 /nfs/dbraw/zinc/83/67/97/1314836797.db2.gz YXAOGIJFRXMZAG-UHFFFAOYSA-N -1 0 334.850 2.839 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215461603 1314838954 /nfs/dbraw/zinc/83/89/54/1314838954.db2.gz QCPGRHDHKODMKA-UHFFFAOYSA-N -1 0 348.309 2.826 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215613685 1314857121 /nfs/dbraw/zinc/85/71/21/1314857121.db2.gz QUVGNMQIMZBOPA-UHFFFAOYSA-N -1 0 348.309 2.826 20 30 EFEDRM CSc1nn(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(N)c1C#N ZINC001215641418 1314862498 /nfs/dbraw/zinc/86/24/98/1314862498.db2.gz MSLAHKNAPGDENO-UHFFFAOYSA-N -1 0 342.302 2.765 20 30 EFEDRM N#Cc1nc(N)c(Nc2cc(C(=O)[O-])c(Cl)cc2Cl)nc1C#N ZINC001216357669 1314944798 /nfs/dbraw/zinc/94/47/98/1314944798.db2.gz FFKJVTMFTBPQIT-UHFFFAOYSA-N -1 0 349.137 2.551 20 30 EFEDRM N#Cc1ccc(-c2noc(C[N-]C(=O)C(F)(F)F)n2)c2ccccc12 ZINC001248609872 1314947581 /nfs/dbraw/zinc/94/75/81/1314947581.db2.gz YMXQOCJBYOJPIL-UHFFFAOYSA-N -1 0 346.268 2.940 20 30 EFEDRM COc1ccc(C(=NC(=S)[N-]c2ccccc2SC)NO)nc1 ZINC001249713089 1315126459 /nfs/dbraw/zinc/12/64/59/1315126459.db2.gz IMVDBVMCHABIDB-UHFFFAOYSA-N -1 0 348.453 2.935 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250970304 1315303483 /nfs/dbraw/zinc/30/34/83/1315303483.db2.gz GOIIJYJMSKWCRR-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250997540 1315308591 /nfs/dbraw/zinc/30/85/91/1315308591.db2.gz VGFCBYSGRRASJR-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C#N ZINC001251006215 1315309271 /nfs/dbraw/zinc/30/92/71/1315309271.db2.gz WOTWYKFBKLCLMC-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c(O)cc1F ZINC001251006214 1315309478 /nfs/dbraw/zinc/30/94/78/1315309478.db2.gz WOMQUNDKWUNPOS-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C#N ZINC001251004008 1315309613 /nfs/dbraw/zinc/30/96/13/1315309613.db2.gz AZSSKVAASNLZKI-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1ccccc1 ZINC001251116284 1315323655 /nfs/dbraw/zinc/32/36/55/1315323655.db2.gz KRFQJIRWIWSUCK-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(O)cc1F ZINC001251738114 1315373444 /nfs/dbraw/zinc/37/34/44/1315373444.db2.gz BNTDBRHWEDOVMS-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001252205826 1315421874 /nfs/dbraw/zinc/42/18/74/1315421874.db2.gz SRPXTHXRWLKLKD-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1ccc(Br)c([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001252364470 1315439529 /nfs/dbraw/zinc/43/95/29/1315439529.db2.gz KLOHWXLYCCHJBI-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM C=CCOC[C@@H](O)CNc1c(Cl)ccc(Br)c1O ZINC001252483537 1315456474 /nfs/dbraw/zinc/45/64/74/1315456474.db2.gz QBRNYUUXKBJPQN-QMMMGPOBSA-N -1 0 336.613 2.784 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000316336952 1315460238 /nfs/dbraw/zinc/46/02/38/1315460238.db2.gz IILGNXSZYSUPIA-NSHDSACASA-N -1 0 338.212 2.691 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253189423 1315578224 /nfs/dbraw/zinc/57/82/24/1315578224.db2.gz UXRRSZLADOZWEL-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)CC(F)(F)F)cccc1C(F)(F)F ZINC001253189430 1315578337 /nfs/dbraw/zinc/57/83/37/1315578337.db2.gz VBXCZIUQTQJGLV-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)c(C)cc1C#N ZINC001254050431 1315669415 /nfs/dbraw/zinc/66/94/15/1315669415.db2.gz IPYMHGFIUGUMOZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)c1cn(-c2cncc(C(=O)[O-])c2)nn1 ZINC001254096074 1315672210 /nfs/dbraw/zinc/67/22/10/1315672210.db2.gz PGDNBKCKPROQMM-UHFFFAOYSA-N -1 0 349.350 2.546 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c1 ZINC001254424741 1315703519 /nfs/dbraw/zinc/70/35/19/1315703519.db2.gz BDMDQKFJXMFSCQ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(O)cc1F ZINC001254959561 1315765579 /nfs/dbraw/zinc/76/55/79/1315765579.db2.gz SNAXMMUBSWMWHR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC001255497445 1315832797 /nfs/dbraw/zinc/83/27/97/1315832797.db2.gz QTVVLZMUTOTRGG-UHFFFAOYSA-N -1 0 335.356 2.969 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255580172 1315842952 /nfs/dbraw/zinc/84/29/52/1315842952.db2.gz MNEUEWJLSJTOLC-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(F)c2)c1C#N ZINC001255585328 1315843752 /nfs/dbraw/zinc/84/37/52/1315843752.db2.gz QKAWOUGYUTYCBV-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001255998921 1315890971 /nfs/dbraw/zinc/89/09/71/1315890971.db2.gz QYYMUKSPMWTOFI-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000827828724 1316020456 /nfs/dbraw/zinc/02/04/56/1316020456.db2.gz DQQAGFCTEWXZEQ-AWEZNQCLSA-N -1 0 331.416 2.779 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccccc1Br ZINC001257327644 1316056968 /nfs/dbraw/zinc/05/69/68/1316056968.db2.gz XICNAQHXAQBQIP-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001257411523 1316063693 /nfs/dbraw/zinc/06/36/93/1316063693.db2.gz LWBXWZZXINIKMD-UHFFFAOYSA-N -1 0 342.380 2.850 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC001257811885 1316094820 /nfs/dbraw/zinc/09/48/20/1316094820.db2.gz WBANYNBDZPXMER-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC001257915884 1316104327 /nfs/dbraw/zinc/10/43/27/1316104327.db2.gz QDKLYQBNUSDWJZ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCC3)nc2)cc1 ZINC001258038800 1316114362 /nfs/dbraw/zinc/11/43/62/1316114362.db2.gz CEFBOKIOHUBMDO-UHFFFAOYSA-N -1 0 343.408 2.933 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2snnc2-c2ccccc2)cc1 ZINC001258039526 1316114374 /nfs/dbraw/zinc/11/43/74/1316114374.db2.gz USVLMONXAMWLLU-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c3nccn3c2)cc1 ZINC001258045334 1316114877 /nfs/dbraw/zinc/11/48/77/1316114877.db2.gz IQROXYRQRYJXNV-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)cc1F ZINC001258196588 1316130770 /nfs/dbraw/zinc/13/07/70/1316130770.db2.gz XFNAOLLKXAFTJR-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COC(=O)c1cc(C)sc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258201938 1316131061 /nfs/dbraw/zinc/13/10/61/1316131061.db2.gz RYYYWVKYTPLMAJ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c2nccn2c1 ZINC001258207881 1316131438 /nfs/dbraw/zinc/13/14/38/1316131438.db2.gz CDHMXDNRGAUONC-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cn2n1 ZINC001258214990 1316132086 /nfs/dbraw/zinc/13/20/86/1316132086.db2.gz WFOOBZKRRYXSSW-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccccc2C#N)c1C#N ZINC001258214703 1316132095 /nfs/dbraw/zinc/13/20/95/1316132095.db2.gz OOTGKKNFHLOYPD-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1-c1ccccn1 ZINC001258214491 1316132178 /nfs/dbraw/zinc/13/21/78/1316132178.db2.gz HRQWFLJRYFDAOG-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258278914 1316136335 /nfs/dbraw/zinc/13/63/35/1316136335.db2.gz LSZIXZGNIACKAR-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM Cc1cc(=O)c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2o1 ZINC001258283395 1316136377 /nfs/dbraw/zinc/13/63/77/1316136377.db2.gz USLCMAHUJRVRRU-UHFFFAOYSA-N -1 0 340.360 2.774 20 30 EFEDRM COC(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258290154 1316137464 /nfs/dbraw/zinc/13/74/64/1316137464.db2.gz INXQTYUVUXONJX-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c2ncccc12 ZINC001258290635 1316137553 /nfs/dbraw/zinc/13/75/53/1316137553.db2.gz WODMBUNYBYPWHK-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C(C)=O)c1 ZINC001258290137 1316137558 /nfs/dbraw/zinc/13/75/58/1316137558.db2.gz IAZNHKMFZUDHHE-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258830797 1316182839 /nfs/dbraw/zinc/18/28/39/1316182839.db2.gz ZWXZMAICGRSRFU-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258912372 1316191823 /nfs/dbraw/zinc/19/18/23/1316191823.db2.gz VFXZLSFKIRCIJQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947870 1316195298 /nfs/dbraw/zinc/19/52/98/1316195298.db2.gz IKVWDWHNTMFKIZ-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258948069 1316195335 /nfs/dbraw/zinc/19/53/35/1316195335.db2.gz SFOWYLJFEVBUIX-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947715 1316195525 /nfs/dbraw/zinc/19/55/25/1316195525.db2.gz ZFFMDNIVFOUFDE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccccc1C#N)C(=O)C2 ZINC001258972867 1316198250 /nfs/dbraw/zinc/19/82/50/1316198250.db2.gz RQMSWKYIDGDQMC-GUYCJALGSA-N -1 0 332.425 2.695 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC001259042690 1316201237 /nfs/dbraw/zinc/20/12/37/1316201237.db2.gz GJELQMKDVCADCU-ZDUSSCGKSA-N -1 0 344.289 2.786 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001259046317 1316201862 /nfs/dbraw/zinc/20/18/62/1316201862.db2.gz WXOFPUWTXJVBFF-UHFFFAOYSA-N -1 0 335.388 2.926 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259053154 1316202741 /nfs/dbraw/zinc/20/27/41/1316202741.db2.gz IXFCUJJJEHKZTP-UHFFFAOYSA-N -1 0 343.227 2.688 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2c(F)cccc2F)c1C#N ZINC001259064093 1316203427 /nfs/dbraw/zinc/20/34/27/1316203427.db2.gz FGKXHDZVGHQJGB-UHFFFAOYSA-N -1 0 341.339 2.923 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(F)cc1 ZINC001259070457 1316204342 /nfs/dbraw/zinc/20/43/42/1316204342.db2.gz IKOHPNMWXPARMQ-ZDUSSCGKSA-N -1 0 326.299 2.647 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(O)cc1F ZINC001259081015 1316205668 /nfs/dbraw/zinc/20/56/68/1316205668.db2.gz RZNRULGEJKFBBJ-UHFFFAOYSA-N -1 0 346.261 2.621 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259079423 1316205723 /nfs/dbraw/zinc/20/57/23/1316205723.db2.gz VMIBUPWFSTYOLH-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC001259081833 1316206765 /nfs/dbraw/zinc/20/67/65/1316206765.db2.gz SHYGPYVUGIBYPR-LLVKDONJSA-N -1 0 344.289 2.786 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001259101178 1316209643 /nfs/dbraw/zinc/20/96/43/1316209643.db2.gz UCCWELPGFPFQBE-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259106244 1316210288 /nfs/dbraw/zinc/21/02/88/1316210288.db2.gz FKXUDHBGPGFDBV-UHFFFAOYSA-N -1 0 336.804 2.623 20 30 EFEDRM CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259106851 1316210498 /nfs/dbraw/zinc/21/04/98/1316210498.db2.gz OFYWNLBHZXLQSW-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC001259107215 1316210614 /nfs/dbraw/zinc/21/06/14/1316210614.db2.gz LKBIAPUZHDHVMN-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CSc1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC001259107564 1316210651 /nfs/dbraw/zinc/21/06/51/1316210651.db2.gz DRRQMUWUIVUQHO-UHFFFAOYSA-N -1 0 340.817 2.524 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C#N ZINC001259112865 1316210876 /nfs/dbraw/zinc/21/08/76/1316210876.db2.gz OCJGDXDCPHKQRU-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cn1cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2n1 ZINC001259112617 1316210898 /nfs/dbraw/zinc/21/08/98/1316210898.db2.gz YAUKSXDDIUEWAH-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)OC3)c(Cl)c1 ZINC001259113307 1316210938 /nfs/dbraw/zinc/21/09/38/1316210938.db2.gz OUVIENJFEQYOQK-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2CO)c(Cl)c1 ZINC001259112912 1316211195 /nfs/dbraw/zinc/21/11/95/1316211195.db2.gz RNSIKDYSFVXQLS-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c(Cl)c1 ZINC001259114043 1316211242 /nfs/dbraw/zinc/21/12/42/1316211242.db2.gz OHJXCERIVHHILD-UHFFFAOYSA-N -1 0 342.767 2.756 20 30 EFEDRM CC(C)c1cnn2cc([N-]S(=O)(=O)c3cccc(C#N)c3)cnc12 ZINC001259118244 1316211619 /nfs/dbraw/zinc/21/16/19/1316211619.db2.gz BVYDNAYVYQNPOU-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(F)cc2)c1 ZINC001259118825 1316211675 /nfs/dbraw/zinc/21/16/75/1316211675.db2.gz ZAUJIEONWLFKPT-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125200 1316212216 /nfs/dbraw/zinc/21/22/16/1316212216.db2.gz NSGWJKLCBZNUSQ-UHFFFAOYSA-N -1 0 342.376 2.702 20 30 EFEDRM COc1ccc2cccnc2c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125890 1316212467 /nfs/dbraw/zinc/21/24/67/1316212467.db2.gz YDGKAUPMGSUQCU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001259124676 1316212476 /nfs/dbraw/zinc/21/24/76/1316212476.db2.gz DBCXYOGTCYJJOW-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(C)=O)c1 ZINC001259126284 1316212813 /nfs/dbraw/zinc/21/28/13/1316212813.db2.gz WHVHBPCOSAGMNU-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259157811 1316214292 /nfs/dbraw/zinc/21/42/92/1316214292.db2.gz YEDAJCQBXORQIR-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)cc1 ZINC001259171986 1316214467 /nfs/dbraw/zinc/21/44/67/1316214467.db2.gz OSIBDPAOZZWHLU-UHFFFAOYSA-N -1 0 343.408 2.886 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)nc2)c1 ZINC001259183665 1316216888 /nfs/dbraw/zinc/21/68/88/1316216888.db2.gz YIONHHJPRWDPAW-UHFFFAOYSA-N -1 0 331.397 2.692 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1c(F)ccc(F)c1C#N ZINC001259206077 1316220221 /nfs/dbraw/zinc/22/02/21/1316220221.db2.gz WCCBDOBRHAMKGO-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1OC ZINC001259205556 1316220286 /nfs/dbraw/zinc/22/02/86/1316220286.db2.gz ZCAWFAGEKUIBIR-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C)cc2OC)c1 ZINC001259205649 1316220334 /nfs/dbraw/zinc/22/03/34/1316220334.db2.gz FDJWBUSFSNTVHQ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccccn1 ZINC001259287671 1316225554 /nfs/dbraw/zinc/22/55/54/1316225554.db2.gz CDSRMOMLDCCLOE-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1C#N ZINC001259300918 1316227057 /nfs/dbraw/zinc/22/70/57/1316227057.db2.gz GXGHSAFRAJPVNV-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259349972 1316231749 /nfs/dbraw/zinc/23/17/49/1316231749.db2.gz ILUWHFKKRUYTNP-UHFFFAOYSA-N -1 0 345.424 2.850 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cnc1C#N ZINC001259402875 1316238254 /nfs/dbraw/zinc/23/82/54/1316238254.db2.gz RENKGORWBNURDB-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)cc1 ZINC001259406857 1316238787 /nfs/dbraw/zinc/23/87/87/1316238787.db2.gz CETCWVUTABRCKI-UHFFFAOYSA-N -1 0 332.381 2.852 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)ccc1F ZINC001259412564 1316239505 /nfs/dbraw/zinc/23/95/05/1316239505.db2.gz CMWMYZUNIMYCJF-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417218 1316239688 /nfs/dbraw/zinc/23/96/88/1316239688.db2.gz DAHJFSKWUVBBGK-UHFFFAOYSA-N -1 0 340.339 2.550 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cnc1OC(C)C ZINC001259413748 1316239925 /nfs/dbraw/zinc/23/99/25/1316239925.db2.gz ZCWLEDPBQFPEKD-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC001259431864 1316242272 /nfs/dbraw/zinc/24/22/72/1316242272.db2.gz ZFELUQIOVWEVBE-UHFFFAOYSA-N -1 0 340.307 2.666 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259454101 1316245367 /nfs/dbraw/zinc/24/53/67/1316245367.db2.gz XPVREASQZTXSKY-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259458856 1316245860 /nfs/dbraw/zinc/24/58/60/1316245860.db2.gz WZLNDVKFOGVLMP-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259472119 1316247773 /nfs/dbraw/zinc/24/77/73/1316247773.db2.gz JKZIUHIAYGWAJB-WAYWQWQTSA-N -1 0 345.701 2.793 20 30 EFEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001259485336 1316249763 /nfs/dbraw/zinc/24/97/63/1316249763.db2.gz IKRKPDDYAQMOTI-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ncc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC001259495256 1316251729 /nfs/dbraw/zinc/25/17/29/1316251729.db2.gz BOBIYKXUHXGKAN-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259507018 1316253160 /nfs/dbraw/zinc/25/31/60/1316253160.db2.gz WXPCXEWIDGVAPW-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)CCc2ccccc2)cc1OC ZINC001259737500 1316269898 /nfs/dbraw/zinc/26/98/98/1316269898.db2.gz HHXNSNBXRZHZEZ-UHFFFAOYSA-N -1 0 346.408 2.560 20 30 EFEDRM Cc1cccc(CS(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1 ZINC001259743136 1316271186 /nfs/dbraw/zinc/27/11/86/1316271186.db2.gz OZQLEAHXBNRTIM-UHFFFAOYSA-N -1 0 332.429 2.760 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(C)c2)cc1OC ZINC001259748956 1316272188 /nfs/dbraw/zinc/27/21/88/1316272188.db2.gz WYBRPEJDKDCJCS-UHFFFAOYSA-N -1 0 346.408 2.826 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)CCc2ccc(F)cc2)c1 ZINC001259760636 1316274314 /nfs/dbraw/zinc/27/43/14/1316274314.db2.gz MGCHCGSKWUIBDP-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1cc(F)cc(F)c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259787315 1316278282 /nfs/dbraw/zinc/27/82/82/1316278282.db2.gz RLIJMUDABMBBGV-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259855416 1316287586 /nfs/dbraw/zinc/28/75/86/1316287586.db2.gz IFTDHCSDWBOERA-UHFFFAOYSA-N -1 0 333.800 2.896 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1[N-]S(=O)(=O)CCC(F)(F)F ZINC001259866530 1316290021 /nfs/dbraw/zinc/29/00/21/1316290021.db2.gz DHEUZYNVJIIOGD-UHFFFAOYSA-N -1 0 347.240 2.666 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC001259872190 1316290183 /nfs/dbraw/zinc/29/01/83/1316290183.db2.gz IIKSAKSBVGRXNG-UHFFFAOYSA-N -1 0 337.319 2.724 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001259879661 1316291605 /nfs/dbraw/zinc/29/16/05/1316291605.db2.gz USGMUUDSHGZFEL-UHFFFAOYSA-N -1 0 338.820 2.795 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(OC)ccc2C#N)cc1 ZINC001259899526 1316294953 /nfs/dbraw/zinc/29/49/53/1316294953.db2.gz WBECHNXQTFCZPY-UHFFFAOYSA-N -1 0 332.381 2.517 20 30 EFEDRM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(C)cc2C#N)cc1 ZINC001259902284 1316295347 /nfs/dbraw/zinc/29/53/47/1316295347.db2.gz XGRKGJXPILQQIZ-UHFFFAOYSA-N -1 0 334.372 2.956 20 30 EFEDRM N#Cc1c(Cl)c(Cl)ccc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259916238 1316297584 /nfs/dbraw/zinc/29/75/84/1316297584.db2.gz UZDMQKIBDDWLOE-UHFFFAOYSA-N -1 0 335.212 2.786 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1nc2cccc(Br)c2s1 ZINC001259922887 1316298271 /nfs/dbraw/zinc/29/82/71/1316298271.db2.gz XGKHWORJCUZEHZ-UHFFFAOYSA-N -1 0 333.232 2.987 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001259988858 1316304121 /nfs/dbraw/zinc/30/41/21/1316304121.db2.gz DXDPHAFQMIZOHO-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(O)cc1F ZINC001260011569 1316306214 /nfs/dbraw/zinc/30/62/14/1316306214.db2.gz UZCXKPKLTDQYQB-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C#N)c1 ZINC001260012928 1316306636 /nfs/dbraw/zinc/30/66/36/1316306636.db2.gz OJQZEHFDIBNKSM-UHFFFAOYSA-N -1 0 334.360 2.779 20 30 EFEDRM Cc1nc2sccc2c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC001260037891 1316309832 /nfs/dbraw/zinc/30/98/32/1316309832.db2.gz GZINLLTVIFYTNH-UHFFFAOYSA-N -1 0 344.421 2.813 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C#N ZINC001260038554 1316310058 /nfs/dbraw/zinc/31/00/58/1316310058.db2.gz MIHWYLFTPQFGQO-UHFFFAOYSA-N -1 0 344.396 2.657 20 30 EFEDRM Cc1nc2c(cccc2[N-]S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC001260044279 1316310648 /nfs/dbraw/zinc/31/06/48/1316310648.db2.gz LXENUWDXOKNWNF-UHFFFAOYSA-N -1 0 327.365 2.950 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C#N)c2)c2ccncc12 ZINC001260094533 1316315441 /nfs/dbraw/zinc/31/54/41/1316315441.db2.gz XLZDEVQFPOLASQ-UHFFFAOYSA-N -1 0 339.376 2.921 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(C(C)(C)C#N)c1 ZINC001260111118 1316316346 /nfs/dbraw/zinc/31/63/46/1316316346.db2.gz IZDNVARMIOASNP-UHFFFAOYSA-N -1 0 332.429 2.639 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)n1 ZINC001260196620 1316322448 /nfs/dbraw/zinc/32/24/48/1316322448.db2.gz BKFFPBSNNMKZCL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260196654 1316322655 /nfs/dbraw/zinc/32/26/55/1316322655.db2.gz CXTKVQHNWSHAGO-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)o1 ZINC001260196803 1316322714 /nfs/dbraw/zinc/32/27/14/1316322714.db2.gz KZOIFFBTKMLMRO-UHFFFAOYSA-N -1 0 333.703 2.587 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)cn1 ZINC001260279902 1316327744 /nfs/dbraw/zinc/32/77/44/1316327744.db2.gz VYDUXYLRDIOSBS-UHFFFAOYSA-N -1 0 328.727 2.795 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260278489 1316327989 /nfs/dbraw/zinc/32/79/89/1316327989.db2.gz IXUOFVLYNFSTQB-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C#N ZINC001260291583 1316328877 /nfs/dbraw/zinc/32/88/77/1316328877.db2.gz JZEBJDFMZQLSQQ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N ZINC001260297739 1316330462 /nfs/dbraw/zinc/33/04/62/1316330462.db2.gz WIBUAAWKAHIYJF-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001260297855 1316330590 /nfs/dbraw/zinc/33/05/90/1316330590.db2.gz CXEAJWXWXPBFPV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC001260356703 1316334629 /nfs/dbraw/zinc/33/46/29/1316334629.db2.gz MQEUMBIQGSQDHA-UHFFFAOYSA-N -1 0 333.331 2.655 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC001260366136 1316335092 /nfs/dbraw/zinc/33/50/92/1316335092.db2.gz OZUKGCCOEVXKQW-UHFFFAOYSA-N -1 0 328.180 2.566 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(C#N)c1 ZINC001260387655 1316336558 /nfs/dbraw/zinc/33/65/58/1316336558.db2.gz GBWREGXQPKBQHH-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC001260465767 1316340436 /nfs/dbraw/zinc/34/04/36/1316340436.db2.gz UOLUPTPMKJQCCJ-UHFFFAOYSA-N -1 0 335.197 2.517 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1 ZINC001260496312 1316342316 /nfs/dbraw/zinc/34/23/16/1316342316.db2.gz WKRJGLJZGZNJMC-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C#N ZINC001260495107 1316342338 /nfs/dbraw/zinc/34/23/38/1316342338.db2.gz KYYPLBWKNIKJGA-UHFFFAOYSA-N -1 0 347.274 2.554 20 30 EFEDRM CCCCCc1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cc1 ZINC001260567238 1316346181 /nfs/dbraw/zinc/34/61/81/1316346181.db2.gz SKTDRCDOESVBCE-UHFFFAOYSA-N -1 0 330.413 2.882 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2oc(C)nc2C#N)cc1 ZINC001260573869 1316347532 /nfs/dbraw/zinc/34/75/32/1316347532.db2.gz ZIEYVGHWXQRQQF-UHFFFAOYSA-N -1 0 335.385 2.834 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1C ZINC001260639030 1316352332 /nfs/dbraw/zinc/35/23/32/1316352332.db2.gz LZPVIXJRDWMQML-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1F ZINC001260656797 1316355497 /nfs/dbraw/zinc/35/54/97/1316355497.db2.gz UEAMCVUUEYVXAP-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC001260661412 1316356064 /nfs/dbraw/zinc/35/60/64/1316356064.db2.gz CAUOWZQCYIFMCE-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)cc1F ZINC001260662984 1316356361 /nfs/dbraw/zinc/35/63/61/1316356361.db2.gz FVFNZTRGIHZUFJ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c(C#N)c1 ZINC001260770781 1316366905 /nfs/dbraw/zinc/36/69/05/1316366905.db2.gz FYGMGNVZFCBSJN-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1onc(C)c1C#N ZINC001260777965 1316368222 /nfs/dbraw/zinc/36/82/22/1316368222.db2.gz ZBFOBFSGDZUGGQ-UHFFFAOYSA-N -1 0 341.776 2.626 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001260818360 1316371152 /nfs/dbraw/zinc/37/11/52/1316371152.db2.gz GRYOGDJRZLCBSV-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM N#Cc1cnoc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260818164 1316371420 /nfs/dbraw/zinc/37/14/20/1316371420.db2.gz KLGWBJBUYIXBCX-UHFFFAOYSA-N -1 0 332.168 2.795 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)cc1Cl ZINC001260973351 1316379454 /nfs/dbraw/zinc/37/94/54/1316379454.db2.gz MHPRZAPYVSAPHI-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260978702 1316380400 /nfs/dbraw/zinc/38/04/00/1316380400.db2.gz NUZMLKGSAMNYEB-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261004657 1316384050 /nfs/dbraw/zinc/38/40/50/1316384050.db2.gz APJLTPOEAZRTCD-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261005295 1316384080 /nfs/dbraw/zinc/38/40/80/1316384080.db2.gz XVSWXXUAGHOVOQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C#N)ccc2ccccc21 ZINC001261028227 1316385909 /nfs/dbraw/zinc/38/59/09/1316385909.db2.gz NMAAWYVSTVOSLL-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072750 1316388023 /nfs/dbraw/zinc/38/80/23/1316388023.db2.gz FCLHPXFHAVTVFM-UHFFFAOYSA-N -1 0 333.756 2.658 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(C#N)c1 ZINC001261071099 1316388272 /nfs/dbraw/zinc/38/82/72/1316388272.db2.gz LTPRSMIVCATLNT-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM CC(=O)c1csc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001263291308 1316527993 /nfs/dbraw/zinc/52/79/93/1316527993.db2.gz RWPYZQWKFYBCFL-GFCCVEGCSA-N -1 0 336.376 2.966 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC001296944350 1323064077 /nfs/dbraw/zinc/06/40/77/1323064077.db2.gz RYEOGKKKVAQIJL-UHFFFAOYSA-N -1 0 335.323 2.627 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC001321110595 1329344338 /nfs/dbraw/zinc/34/43/38/1329344338.db2.gz NUSIBAABWHDICD-AWEZNQCLSA-N -1 0 347.396 2.873 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001321144044 1329348525 /nfs/dbraw/zinc/34/85/25/1329348525.db2.gz CIWACHJVXYUITG-CQSZACIVSA-N -1 0 345.424 2.681 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321339386 1329375052 /nfs/dbraw/zinc/37/50/52/1329375052.db2.gz NGNQYAXJQBEYOC-GXSJLCMTSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001321339394 1329375130 /nfs/dbraw/zinc/37/51/30/1329375130.db2.gz NGNQYAXJQBEYOC-ONGXEEELSA-N -1 0 331.290 2.618 20 30 EFEDRM C=CC[C@H](NC(=O)NCCOc1ccc2ccccc2c1)C(=O)[O-] ZINC001321582203 1329396750 /nfs/dbraw/zinc/39/67/50/1329396750.db2.gz DVGOWPCYJRAGHL-INIZCTEOSA-N -1 0 328.368 2.547 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCOc1ccc(Cl)cc1C)C(=O)[O-] ZINC001321584113 1329396834 /nfs/dbraw/zinc/39/68/34/1329396834.db2.gz XEDYAXMWDCJIOO-ZDUSSCGKSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CC[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC001321658201 1329401556 /nfs/dbraw/zinc/40/15/56/1329401556.db2.gz QPWYYAILYAFVFO-NSHDSACASA-N -1 0 340.301 2.956 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001321657411 1329401659 /nfs/dbraw/zinc/40/16/59/1329401659.db2.gz GVSTTWUWVSGASN-SJORKVTESA-N -1 0 325.364 2.952 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC001321657743 1329401718 /nfs/dbraw/zinc/40/17/18/1329401718.db2.gz JPGXSOGKPCDAJU-JGVFFNPUSA-N -1 0 332.219 2.760 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1 ZINC001322322809 1329447164 /nfs/dbraw/zinc/44/71/64/1329447164.db2.gz HNCSYHCREAOSDM-UHFFFAOYSA-N -1 0 330.344 2.569 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccc(OC)cc1C(F)(F)F)C(=O)[O-] ZINC001322514770 1329464452 /nfs/dbraw/zinc/46/44/52/1329464452.db2.gz QVJHIZBGNKUPGF-GFCCVEGCSA-N -1 0 346.305 2.543 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001322598892 1329471098 /nfs/dbraw/zinc/47/10/98/1329471098.db2.gz HWLHUNLQKGCZJE-CQSZACIVSA-N -1 0 342.399 2.649 20 30 EFEDRM C=C[C@H](COC)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC001324043261 1329593578 /nfs/dbraw/zinc/59/35/78/1329593578.db2.gz TTZIKJACSIASGX-CQSZACIVSA-N -1 0 329.400 2.632 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001324653372 1329648235 /nfs/dbraw/zinc/64/82/35/1329648235.db2.gz ZEFWQQCHTIUPDD-GXSJLCMTSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CC[C@@H](NC(=O)c1sc2cccc(F)c2c1COC)C(=O)[O-] ZINC001325144593 1329673333 /nfs/dbraw/zinc/67/33/33/1329673333.db2.gz RXVOQQXOFUYYLX-LLVKDONJSA-N -1 0 337.372 2.946 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)C=C)cc2[n-]c1=S ZINC001325293248 1329678557 /nfs/dbraw/zinc/67/85/57/1329678557.db2.gz XDORLIIBKAOICL-UHFFFAOYSA-N -1 0 343.452 2.813 20 30 EFEDRM C=CC[C@@H](NC(=O)NC[C@@H](CC)Oc1ccccc1Cl)C(=O)[O-] ZINC001326930563 1330385517 /nfs/dbraw/zinc/38/55/17/1330385517.db2.gz LEYNCIHEHAXZEF-DGCLKSJQSA-N -1 0 340.807 2.826 20 30 EFEDRM C=CC[C@@H](NC(=O)NCCCSc1ccc(F)cc1)C(=O)[O-] ZINC001326931707 1330385911 /nfs/dbraw/zinc/38/59/11/1330385911.db2.gz VAYUUHHLLUQEIQ-CYBMUJFWSA-N -1 0 326.393 2.636 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)C(=O)[O-] ZINC001327013225 1330399179 /nfs/dbraw/zinc/39/91/79/1330399179.db2.gz ITPVQPVRFJBBTP-ZDUSSCGKSA-N -1 0 342.351 2.599 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001327940947 1330532723 /nfs/dbraw/zinc/53/27/23/1330532723.db2.gz ULWMOKVXBRLVLD-YPMHNXCESA-N -1 0 347.440 2.727 20 30 EFEDRM [O-]c1c(F)cc(Br)cc1C=NNCC1CCOCC1 ZINC001331968979 1330898762 /nfs/dbraw/zinc/89/87/62/1330898762.db2.gz LPRZGZTVVFDUDS-UHFFFAOYSA-N -1 0 331.185 2.644 20 30 EFEDRM C=CC[C@@H](C(=O)NCc1c(C)nn(CC(=O)[O-])c1C)c1ccccc1 ZINC001332137363 1330926562 /nfs/dbraw/zinc/92/65/62/1330926562.db2.gz VXSHAQQEQBYLLU-MRXNPFEDSA-N -1 0 341.411 2.561 20 30 EFEDRM C=CCO[C@@H]1CCN(c2c(C(=O)[O-])cnc3c(OC)cccc32)C1 ZINC001332520230 1330980157 /nfs/dbraw/zinc/98/01/57/1330980157.db2.gz QOMDYMDXVSXJKN-GFCCVEGCSA-N -1 0 328.368 2.723 20 30 EFEDRM CC#CC[C@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC001334070868 1331244700 /nfs/dbraw/zinc/24/47/00/1331244700.db2.gz ZFCAVNCVPQHUJI-HNNXBMFYSA-N -1 0 330.409 2.678 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(N2CCC(O)CC2)cc1 ZINC001334086961 1331246979 /nfs/dbraw/zinc/24/69/79/1331246979.db2.gz JQXOFISZFIVEDB-XVNBXDOJSA-N -1 0 349.390 2.783 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2F)CC1 ZINC001334259362 1331273155 /nfs/dbraw/zinc/27/31/55/1331273155.db2.gz CQXQDQYRRHSORI-UHFFFAOYSA-N -1 0 325.405 2.827 20 30 EFEDRM N#Cc1cc(Cl)nc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC001337992121 1331629242 /nfs/dbraw/zinc/62/92/42/1331629242.db2.gz LVTGPJZMGTZDFY-SECBINFHSA-N -1 0 346.740 2.502 20 30 EFEDRM CN(CCCc1ccccc1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001338071519 1331646109 /nfs/dbraw/zinc/64/61/09/1331646109.db2.gz AZKZATOTTKRKTO-UHFFFAOYSA-N -1 0 348.410 2.523 20 30 EFEDRM C=CCn1c(CCC)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001338780347 1331736389 /nfs/dbraw/zinc/73/63/89/1331736389.db2.gz NAGSKMZYEKYAAF-UHFFFAOYSA-N -1 0 344.444 2.763 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001338852503 1331747385 /nfs/dbraw/zinc/74/73/85/1331747385.db2.gz XLGSUHLVOZDMTC-TZMCWYRMSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CC[C@H]2C[C@H]2C1 ZINC001339015141 1331770447 /nfs/dbraw/zinc/77/04/47/1331770447.db2.gz SVXIIIQVVRRDAC-RYUDHWBXSA-N -1 0 341.371 2.591 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001339814962 1332104186 /nfs/dbraw/zinc/10/41/86/1332104186.db2.gz QUELAIOOSWPUQC-STQMWFEESA-N -1 0 338.415 2.586 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001339814958 1332104280 /nfs/dbraw/zinc/10/42/80/1332104280.db2.gz QUELAIOOSWPUQC-BETUJISGSA-N -1 0 338.415 2.586 20 30 EFEDRM C=C1CCN(c2nnc(-c3cc(Cl)cc([N+](=O)[O-])c3[O-])n2C)CC1 ZINC001339904761 1332111715 /nfs/dbraw/zinc/11/17/15/1332111715.db2.gz ZVHLVRSTOUFLGK-UHFFFAOYSA-N -1 0 349.778 2.906 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001340208109 1332154024 /nfs/dbraw/zinc/15/40/24/1332154024.db2.gz YOPYEDLISMWBRA-CYBMUJFWSA-N -1 0 344.463 2.926 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCCCC1 ZINC001340383977 1332185578 /nfs/dbraw/zinc/18/55/78/1332185578.db2.gz FRIZIGKOWXGADL-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CCC(=C)CC1 ZINC001340420639 1332192175 /nfs/dbraw/zinc/19/21/75/1332192175.db2.gz CARMKHUHSURUSW-UHFFFAOYSA-N -1 0 341.371 2.901 20 30 EFEDRM C=C1CCN(c2nnc(-c3cccc([O-])c3[N+](=O)[O-])n2CC)CC1 ZINC001341083401 1332232425 /nfs/dbraw/zinc/23/24/25/1332232425.db2.gz ATWWOHUCPSVDGM-UHFFFAOYSA-N -1 0 329.360 2.735 20 30 EFEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001341818717 1332286306 /nfs/dbraw/zinc/28/63/06/1332286306.db2.gz ZOFGTRCPSJRNAE-HNNXBMFYSA-N -1 0 327.347 2.882 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1cc(C2CC2)nn1 ZINC001341924996 1332288468 /nfs/dbraw/zinc/28/84/68/1332288468.db2.gz OXSPXHYLZHFQFE-AWEZNQCLSA-N -1 0 347.378 2.537 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N(C)CCCF ZINC001342197277 1332316259 /nfs/dbraw/zinc/31/62/59/1332316259.db2.gz FBWDXFHXKYITON-UHFFFAOYSA-N -1 0 335.339 2.541 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)Cc1ccco1 ZINC001342356164 1332328159 /nfs/dbraw/zinc/32/81/59/1332328159.db2.gz VOHXOLDCONVNBU-UHFFFAOYSA-N -1 0 342.403 2.673 20 30 EFEDRM CCc1ccc(Br)cc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC001343473369 1332348862 /nfs/dbraw/zinc/34/88/62/1332348862.db2.gz JSHNUVLBRCELLI-CQSZACIVSA-N -1 0 349.228 2.956 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(-c2ccco2)c1 ZINC001343562465 1332357749 /nfs/dbraw/zinc/35/77/49/1332357749.db2.gz AJCPNSLQRQUWTC-CQSZACIVSA-N -1 0 325.368 2.970 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(-c2ccco2)c1 ZINC001343562462 1332357868 /nfs/dbraw/zinc/35/78/68/1332357868.db2.gz AJCPNSLQRQUWTC-AWEZNQCLSA-N -1 0 325.368 2.970 20 30 EFEDRM C[C@@H](Sc1ccccc1C([O-])=C(C#N)c1cccc(F)n1)C(N)=O ZINC001344035901 1332398997 /nfs/dbraw/zinc/39/89/97/1332398997.db2.gz PQHHUDGACFZQHC-PWSUYJOCSA-N -1 0 343.383 2.677 20 30 EFEDRM Cc1cnc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c(C)c1 ZINC001344403657 1332449976 /nfs/dbraw/zinc/44/99/76/1332449976.db2.gz XEVXKQIKMXWYBH-HNNXBMFYSA-N -1 0 341.798 2.991 20 30 EFEDRM C=C(C)CS(=O)(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001344475901 1332457183 /nfs/dbraw/zinc/45/71/83/1332457183.db2.gz BEKJNTUFNAXXRM-UHFFFAOYSA-N -1 0 341.458 2.515 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)c2nccn2CC)nn1-c1ccccc1 ZINC001345647320 1332555030 /nfs/dbraw/zinc/55/50/30/1332555030.db2.gz WGBBUQNWYMJXSD-CQSZACIVSA-N -1 0 334.383 2.536 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)N[C@H](CC)c1ccccc1 ZINC001345874668 1332580557 /nfs/dbraw/zinc/58/05/57/1332580557.db2.gz VCDUMOPZRWKHJR-UONOGXRCSA-N -1 0 325.368 2.827 20 30 EFEDRM C=CC[C@@H]1CCCN(c2nnc(-c3c[nH]oc3=O)n2CC2CC2)C1 ZINC001345978695 1332589628 /nfs/dbraw/zinc/58/96/28/1332589628.db2.gz XGZPSSACRQIEKC-GFCCVEGCSA-N -1 0 329.404 2.841 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@H](C)CC ZINC001346248736 1332618211 /nfs/dbraw/zinc/61/82/11/1332618211.db2.gz PREXUVUXAMZIQK-CYBMUJFWSA-N -1 0 340.431 2.976 20 30 EFEDRM C=CCN(C)c1nnc(-c2cccc([O-])c2[N+](=O)[O-])n1CC1CC1 ZINC001348869991 1332878453 /nfs/dbraw/zinc/87/84/53/1332878453.db2.gz GGQYVFYTFXLFPL-UHFFFAOYSA-N -1 0 329.360 2.591 20 30 EFEDRM CCN(Cc1ccccc1C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001350599976 1333101699 /nfs/dbraw/zinc/10/16/99/1333101699.db2.gz XKGQUPOANUHOSX-UHFFFAOYSA-N -1 0 348.410 2.789 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001352013912 1333352371 /nfs/dbraw/zinc/35/23/71/1333352371.db2.gz XAQLBVQYJYRYMD-CYBMUJFWSA-N -1 0 338.415 2.730 20 30 EFEDRM CC[C@H](C#N)N(C)C(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000847169284 1333375909 /nfs/dbraw/zinc/37/59/09/1333375909.db2.gz UUIHWPJTCDIWAV-CQSZACIVSA-N -1 0 345.424 2.585 20 30 EFEDRM CN(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1Cl ZINC000847623325 1334018099 /nfs/dbraw/zinc/01/80/99/1334018099.db2.gz IBAAYZMDIKEXDT-CYBMUJFWSA-N -1 0 348.834 2.572 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)c1F ZINC001200667710 1334304664 /nfs/dbraw/zinc/30/46/64/1334304664.db2.gz QETJBJKXJFOLCN-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@H](CN=Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000848415114 1334712803 /nfs/dbraw/zinc/71/28/03/1334712803.db2.gz WOGJPJPLSADFIA-CQSZACIVSA-N -1 0 347.415 2.968 20 30 EFEDRM CCCN(Cc1ccccc1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001355430260 1334780418 /nfs/dbraw/zinc/78/04/18/1334780418.db2.gz WLXSOAKWHUCECL-UHFFFAOYSA-N -1 0 348.410 2.871 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cc3n(n2)CCCC3)cc1CC(=O)[O-] ZINC000848639874 1334821507 /nfs/dbraw/zinc/82/15/07/1334821507.db2.gz XXQRDPMNKQZENY-VOTSOKGWSA-N -1 0 340.379 2.751 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000848640834 1334821986 /nfs/dbraw/zinc/82/19/86/1334821986.db2.gz VJYOFXICRZFTSJ-YXVBKTCISA-N -1 0 340.379 2.967 20 30 EFEDRM CC(=Cc1ccco1)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000848837519 1334928854 /nfs/dbraw/zinc/92/88/54/1334928854.db2.gz WMHTVFJQUQJTCA-HKBVPSITSA-N -1 0 330.365 2.868 20 30 EFEDRM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]n(CC)c3=O)n2CC)C1 ZINC001356600928 1335061123 /nfs/dbraw/zinc/06/11/23/1335061123.db2.gz FAOQVSDNBNHPLH-ZDUSSCGKSA-N -1 0 330.436 2.680 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001357159324 1335287205 /nfs/dbraw/zinc/28/72/05/1335287205.db2.gz IPIPEWLZPSNNJS-BETUJISGSA-N -1 0 330.436 2.535 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cccc(C)c32)cc1C#N ZINC001416417692 1335538838 /nfs/dbraw/zinc/53/88/38/1335538838.db2.gz YBPUMAIZSBVKQH-UHFFFAOYSA-N -1 0 325.393 2.892 20 30 EFEDRM CCOC(=O)C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000849170426 1335563288 /nfs/dbraw/zinc/56/32/88/1335563288.db2.gz OWVRLWLTIKPRPU-RGOWCBCBSA-N -1 0 334.250 2.603 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2cn(C3CCC3)nn2)cc1CC(=O)[O-] ZINC000849242599 1335575472 /nfs/dbraw/zinc/57/54/72/1335575472.db2.gz IXDJNEDYANKPRB-VOTSOKGWSA-N -1 0 341.367 2.535 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000150025945 1335940987 /nfs/dbraw/zinc/94/09/87/1335940987.db2.gz QJMIPFPGZDAVIK-SNVBAGLBSA-N -1 0 332.581 2.862 20 30 EFEDRM C=CC[C@H](NC(=O)CCCc1ccc(Br)s1)C(=O)[O-] ZINC000150150098 1335943181 /nfs/dbraw/zinc/94/31/81/1335943181.db2.gz XPJGXOHVADXOQV-JTQLQIEISA-N -1 0 346.246 2.979 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(C)(C)C)nn2)cc1C#N ZINC001361346924 1336011920 /nfs/dbraw/zinc/01/19/20/1336011920.db2.gz WGBWHYRYKBAASR-UHFFFAOYSA-N -1 0 343.412 2.721 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C(C)=O)c(C)s2)cc1C#N ZINC001361571269 1336190105 /nfs/dbraw/zinc/19/01/05/1336190105.db2.gz SINMSCAYJYAKPZ-UHFFFAOYSA-N -1 0 348.409 2.601 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(F)cc2Cl)cc1C#N ZINC001361683749 1336270141 /nfs/dbraw/zinc/27/01/41/1336270141.db2.gz UUBPWKCOZAPGLP-UHFFFAOYSA-N -1 0 338.751 2.821 20 30 EFEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1C#N ZINC001361865629 1336384815 /nfs/dbraw/zinc/38/48/15/1336384815.db2.gz ZUYIVILDIBMARK-UHFFFAOYSA-N -1 0 340.364 2.513 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001362557807 1336656773 /nfs/dbraw/zinc/65/67/73/1336656773.db2.gz GJULLAZJEOPHHU-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM N#Cc1cccc(N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC001363150108 1336806350 /nfs/dbraw/zinc/80/63/50/1336806350.db2.gz FOWCBBPVWCQMHB-ZDUSSCGKSA-N -1 0 346.312 2.695 20 30 EFEDRM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001363642422 1336969426 /nfs/dbraw/zinc/96/94/26/1336969426.db2.gz NXMGLVBVIZACCC-UHFFFAOYSA-N -1 0 329.747 2.846 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)cc2C#N)cc1C#N ZINC001416151786 1371870975 /nfs/dbraw/zinc/87/09/75/1371870975.db2.gz OQRMXWBVNXARDA-UHFFFAOYSA-N -1 0 328.328 2.644 20 30 EFEDRM CCCCc1cnc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)nc1 ZINC001417448300 1372828233 /nfs/dbraw/zinc/82/82/33/1372828233.db2.gz PNPVVGZBBXBAHK-UHFFFAOYSA-N -1 0 343.412 2.766 20 30 EFEDRM N#Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1[O-])CC(=O)N2 ZINC001417551412 1373026291 /nfs/dbraw/zinc/02/62/91/1373026291.db2.gz UCXKKFBMKFHMJZ-UHFFFAOYSA-N -1 0 327.727 2.516 20 30 EFEDRM CCCc1nc(C)c(COC(=O)c2cc(C#N)c(SC)[n-]c2=O)o1 ZINC001417551101 1373026332 /nfs/dbraw/zinc/02/63/32/1373026332.db2.gz OIESSONRFJIRST-UHFFFAOYSA-N -1 0 347.396 2.987 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001545759974 1378900005 /nfs/dbraw/zinc/90/00/05/1378900005.db2.gz MXRAEFGBSOHLTK-UHFFFAOYSA-N -1 0 349.350 2.586 20 30 EFEDRM Cc1ncc(Br)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001434009423 1387056229 /nfs/dbraw/zinc/05/62/29/1387056229.db2.gz CGCDSDSOEXDHGU-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)C1 ZINC001434548482 1387197630 /nfs/dbraw/zinc/19/76/30/1387197630.db2.gz UGHUHHPKBCZETH-IAZYJMLFSA-N -1 0 328.384 2.939 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2c3ccccc3OC[C@H]2C)cc1C#N ZINC001456934862 1394870925 /nfs/dbraw/zinc/87/09/25/1394870925.db2.gz GWSBPMSETMVABJ-SNVBAGLBSA-N -1 0 341.392 2.808 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnn(C3CCCC3)c2)cc1C#N ZINC001462885374 1396457638 /nfs/dbraw/zinc/45/76/38/1396457638.db2.gz CJQOWYOKKZCISP-UHFFFAOYSA-N -1 0 343.412 2.945 20 30 EFEDRM CC1(C)C(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1(C)C ZINC001463580215 1396503939 /nfs/dbraw/zinc/50/39/39/1396503939.db2.gz VLXCBNPMNPMZNI-UHFFFAOYSA-N -1 0 328.384 2.797 20 30 EFEDRM COC(=O)c1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)on1 ZINC001465001725 1396640567 /nfs/dbraw/zinc/64/05/67/1396640567.db2.gz CMFMGVKQUQQURV-SNVBAGLBSA-N -1 0 345.380 2.965 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(OC3CCC3)CC2)cc1C#N ZINC001469134512 1397004928 /nfs/dbraw/zinc/00/49/28/1397004928.db2.gz PKRBYHVZFUCSEX-UHFFFAOYSA-N -1 0 347.440 2.554 20 30 EFEDRM Cc1sc(-n2cccc2)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C ZINC001469559588 1397038583 /nfs/dbraw/zinc/03/85/83/1397038583.db2.gz ARTDYVHOLMNSDR-UHFFFAOYSA-N -1 0 336.380 2.874 20 30 EFEDRM N#Cc1cc(NC(=O)CC=Cc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000822823057 1426187923 /nfs/dbraw/zinc/18/79/23/1426187923.db2.gz JVDWECNUWGXNLS-OWOJBTEDSA-N -1 0 348.341 2.919 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737698210 1426254847 /nfs/dbraw/zinc/25/48/47/1426254847.db2.gz VAYHZEZSAOOYKE-RUDMXATFSA-N -1 0 331.335 2.665 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(OC)c1 ZINC000821769212 1426383548 /nfs/dbraw/zinc/38/35/48/1426383548.db2.gz FMRVBEPHUKEWDQ-GQCTYLIASA-N -1 0 342.380 2.842 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@H]1CCC ZINC000819743938 1426390209 /nfs/dbraw/zinc/39/02/09/1426390209.db2.gz TWCGIRHXPYXOEF-ZBFHGGJFSA-N -1 0 340.431 2.753 20 30 EFEDRM C=C(C)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735402304 1428179800 /nfs/dbraw/zinc/17/98/00/1428179800.db2.gz QDTIWZNPQJTIGC-UHFFFAOYSA-N -1 0 337.339 2.787 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000826190678 1428277074 /nfs/dbraw/zinc/27/70/74/1428277074.db2.gz JGMSVNFIXOAUJB-HYXAFXHYSA-N -1 0 342.380 2.842 20 30 EFEDRM C#CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823838237 1428295399 /nfs/dbraw/zinc/29/53/99/1428295399.db2.gz MOMCYLAHIUQYKK-QGZVFWFLSA-N -1 0 333.395 2.730 20 30 EFEDRM N#C[C@@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001601056999 1413292040 /nfs/dbraw/zinc/29/20/40/1413292040.db2.gz INPDRPUXLAQMAF-ZDUSSCGKSA-N -1 0 327.153 2.585 20 30 EFEDRM N#Cc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822842580 1428716323 /nfs/dbraw/zinc/71/63/23/1428716323.db2.gz OUSRGUPXYIIWDN-UHFFFAOYSA-N -1 0 330.760 2.706 20 30 EFEDRM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1Cl ZINC000826296136 1428735306 /nfs/dbraw/zinc/73/53/06/1428735306.db2.gz KNHOEJHMINYFMZ-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cn1cc([C@@H]2OCCC[C@@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552446883 1414455648 /nfs/dbraw/zinc/45/56/48/1414455648.db2.gz NQZLGVPZVCQGQI-CZUORRHYSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1ccnc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1 ZINC001552449271 1414456213 /nfs/dbraw/zinc/45/62/13/1414456213.db2.gz ZGRZDUPIOOYXCV-HIFRSBDPSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552452231 1414456560 /nfs/dbraw/zinc/45/65/60/1414456560.db2.gz DAJQCKMANYQOCA-LRDDRELGSA-N -1 0 346.362 2.823 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@@H]2c2ccnn2C)cccc1C(=O)[O-] ZINC001552453337 1414456851 /nfs/dbraw/zinc/45/68/51/1414456851.db2.gz LDJPVQVGAKXNRV-DYVFJYSZSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cc1F ZINC001552452237 1414457041 /nfs/dbraw/zinc/45/70/41/1414457041.db2.gz DAJQCKMANYQOCA-WBMJQRKESA-N -1 0 346.362 2.823 20 30 EFEDRM C[C@H](C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034793 1428852066 /nfs/dbraw/zinc/85/20/66/1428852066.db2.gz PGINZVVYMVZBHA-GFCCVEGCSA-N -1 0 348.366 2.548 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1nc(=O)o[n-]1 ZINC001557155360 1415109592 /nfs/dbraw/zinc/10/95/92/1415109592.db2.gz FTMOGYPAHATWCU-DZGCQCFKSA-N -1 0 342.399 2.654 20 30 EFEDRM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403219 1428899869 /nfs/dbraw/zinc/89/98/69/1428899869.db2.gz MOTIDIYUUMKEEV-UPHRSURJSA-N -1 0 333.354 2.794 20 30 EFEDRM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820329762 1428908051 /nfs/dbraw/zinc/90/80/51/1428908051.db2.gz ZQJJYVHLGDBEOU-ZDUSSCGKSA-N -1 0 346.394 2.548 20 30 EFEDRM C[C@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1 ZINC000736056268 1428912146 /nfs/dbraw/zinc/91/21/46/1428912146.db2.gz MPVRNVKKGXAYJY-SNVBAGLBSA-N -1 0 337.412 2.611 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891473741 1428926382 /nfs/dbraw/zinc/92/63/82/1428926382.db2.gz YFYWAXPQBJGDIZ-UHFFFAOYSA-N -1 0 333.367 2.707 20 30 EFEDRM Cc1nnc(SCc2cc(-c3nn[n-]n3)ccc2F)c(C#N)c1C ZINC000826337637 1428974405 /nfs/dbraw/zinc/97/44/05/1428974405.db2.gz VNVIAACZSVOWEC-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnc2[nH]cccc1-2 ZINC000826400646 1429056216 /nfs/dbraw/zinc/05/62/16/1429056216.db2.gz DLYSRMPUXLQKJW-GQCTYLIASA-N -1 0 334.314 2.778 20 30 EFEDRM C#CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823837984 1429057087 /nfs/dbraw/zinc/05/70/87/1429057087.db2.gz JZPMEFWSVULHOW-KAUXGEHWSA-N -1 0 343.390 2.761 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1-c1ccccc1 ZINC000127660725 1417234999 /nfs/dbraw/zinc/23/49/99/1417234999.db2.gz FEVRVTUWPYEKAS-QGZVFWFLSA-N -1 0 334.375 2.963 20 30 EFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000826179095 1429177755 /nfs/dbraw/zinc/17/77/55/1429177755.db2.gz ZDOKUKXKVUWGQI-ONEGZZNKSA-N -1 0 342.380 2.842 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819758784 1429236185 /nfs/dbraw/zinc/23/61/85/1429236185.db2.gz HIFFDLNYRQGFAU-UHFFFAOYSA-N -1 0 342.380 2.885 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822829784 1429512293 /nfs/dbraw/zinc/51/22/93/1429512293.db2.gz IWXISIUBPFOGGN-YOEHRIQHSA-N -1 0 344.378 2.556 20 30 EFEDRM CCOc1cc(C#N)ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000825615665 1429580599 /nfs/dbraw/zinc/58/05/99/1429580599.db2.gz FYILJBQRPMYMHX-UHFFFAOYSA-N -1 0 339.330 2.855 20 30 EFEDRM Fc1cccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000826377871 1429587724 /nfs/dbraw/zinc/58/77/24/1429587724.db2.gz KDDKMYOYASRBTM-UHFFFAOYSA-N -1 0 335.346 2.611 20 30 EFEDRM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172085786 1423398230 /nfs/dbraw/zinc/39/82/30/1423398230.db2.gz NEYAEPTVVISCHB-ZDUSSCGKSA-N -1 0 334.441 2.970 20 30 EFEDRM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821769195 1429642689 /nfs/dbraw/zinc/64/26/89/1429642689.db2.gz FGQRQXFFRYLIAC-PLNGDYQASA-N -1 0 342.380 2.842 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735506207 1423503701 /nfs/dbraw/zinc/50/37/01/1423503701.db2.gz ZTFAOUAJFHWLJB-LLVKDONJSA-N -1 0 334.339 2.757 20 30 EFEDRM CCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505349 1423711530 /nfs/dbraw/zinc/71/15/30/1423711530.db2.gz MEYYRVZBYBGEFB-UHFFFAOYSA-N -1 0 346.394 2.724 20 30 EFEDRM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451142 1429674527 /nfs/dbraw/zinc/67/45/27/1429674527.db2.gz PSQIOHXOMUZCLL-UHFFFAOYSA-N -1 0 336.384 2.708 20 30 EFEDRM CC(C)(C)SCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824124643 1423963931 /nfs/dbraw/zinc/96/39/31/1423963931.db2.gz XRVMLHLQRPKDSX-UHFFFAOYSA-N -1 0 344.444 2.989 20 30 EFEDRM Fc1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CC2 ZINC000826375747 1429695952 /nfs/dbraw/zinc/69/59/52/1429695952.db2.gz ALAIOQQRWOSCPM-UHFFFAOYSA-N -1 0 343.753 2.817 20 30 EFEDRM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(CC#N)cc2)n1 ZINC000826324557 1424177333 /nfs/dbraw/zinc/17/73/33/1424177333.db2.gz WLMKTTWMBNXIFJ-UHFFFAOYSA-N -1 0 337.412 2.632 20 30 EFEDRM N#CCC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826381168 1424290096 /nfs/dbraw/zinc/29/00/96/1424290096.db2.gz ZRIGNTDPDNGGRZ-UHFFFAOYSA-N -1 0 345.794 2.678 20 30 EFEDRM C=C(C)CCOC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000819723058 1424325123 /nfs/dbraw/zinc/32/51/23/1424325123.db2.gz WJMMYKYKEGNCOG-UHFFFAOYSA-N -1 0 346.387 2.544 20 30 EFEDRM CCOc1ccc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c(O)c1 ZINC000821416746 1424350756 /nfs/dbraw/zinc/35/07/56/1424350756.db2.gz CXBICVUSEGSPCC-DJKKODMXSA-N -1 0 341.346 2.729 20 30 EFEDRM N#CCn1c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc2ccccc21 ZINC000737697693 1424419845 /nfs/dbraw/zinc/41/98/45/1424419845.db2.gz LGQOVHVSFLGYQN-UHFFFAOYSA-N -1 0 343.350 2.597 20 30 EFEDRM Cc1ncc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000823963263 1424456975 /nfs/dbraw/zinc/45/69/75/1424456975.db2.gz ZYFDDEPCKZVFEA-UHFFFAOYSA-N -1 0 332.393 2.579 20 30 EFEDRM N#Cc1ccc(OCCNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822832618 1424533801 /nfs/dbraw/zinc/53/38/01/1424533801.db2.gz DADASBHSZFMHDH-UHFFFAOYSA-N -1 0 342.309 2.507 20 30 EFEDRM C=C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000131993084 1424603123 /nfs/dbraw/zinc/60/31/23/1424603123.db2.gz HXFBKWIRLMTCSL-HNNXBMFYSA-N -1 0 333.395 2.843 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SCc2cc3ccccc3o2)nc1N ZINC000822819553 1424619004 /nfs/dbraw/zinc/61/90/04/1424619004.db2.gz VNJZGLSKNBCCJE-UHFFFAOYSA-N -1 0 349.379 2.754 20 30 EFEDRM C=C[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882776 1424640928 /nfs/dbraw/zinc/64/09/28/1424640928.db2.gz DCWHCYVJZFCGIF-OAHLLOKOSA-N -1 0 333.395 2.843 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000822823128 1424865545 /nfs/dbraw/zinc/86/55/45/1424865545.db2.gz LKVIHOXNJSYQAY-UHFFFAOYSA-N -1 0 342.409 2.602 20 30 EFEDRM c1ccc(CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000823779787 1424870641 /nfs/dbraw/zinc/87/06/41/1424870641.db2.gz JGRJCUGFVDLUMQ-UHFFFAOYSA-N -1 0 332.411 2.965 20 30 EFEDRM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCC#N)cc1 ZINC000825782342 1424889856 /nfs/dbraw/zinc/88/98/56/1424889856.db2.gz DJJMQGPUFGSWDP-UHFFFAOYSA-N -1 0 345.366 2.806 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823931844 1424969754 /nfs/dbraw/zinc/96/97/54/1424969754.db2.gz HLQYJMDEQPSFHZ-UHFFFAOYSA-N -1 0 349.394 2.670 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccoc1 ZINC000819743219 1425077493 /nfs/dbraw/zinc/07/74/93/1425077493.db2.gz GBNFOWCASATXKS-UHFFFAOYSA-N -1 0 337.383 2.607 20 30 EFEDRM C=CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735438046 1425101225 /nfs/dbraw/zinc/10/12/25/1425101225.db2.gz WHSPUKZSOPUWMJ-UHFFFAOYSA-N -1 0 336.351 2.789 20 30 EFEDRM N#Cc1ccc(NC(=O)c2coc3ccccc23)cc1-c1nn[n-]n1 ZINC000737720228 1425149706 /nfs/dbraw/zinc/14/97/06/1425149706.db2.gz ZTSUGJSUIDFGIW-UHFFFAOYSA-N -1 0 330.307 2.737 20 30 EFEDRM N#C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000826379829 1425224618 /nfs/dbraw/zinc/22/46/18/1425224618.db2.gz CZLBTGGXGSZYIX-ZDUSSCGKSA-N -1 0 347.325 2.774 20 30 EFEDRM C=CCOc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759224 1425390115 /nfs/dbraw/zinc/39/01/15/1425390115.db2.gz QFKZUIYWIRGBFW-UHFFFAOYSA-N -1 0 338.367 2.889 20 30 EFEDRM N#Cc1cccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737730584 1425501058 /nfs/dbraw/zinc/50/10/58/1425501058.db2.gz NDJAOOGNQJAEFQ-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM Cc1cc(C)n(N=C[C@@H]2CCCc3ccccc32)c(=O)c1-c1nn[n-]n1 ZINC000822199048 1425518443 /nfs/dbraw/zinc/51/84/43/1425518443.db2.gz UHDJSGXHYWBIQD-HNNXBMFYSA-N -1 0 348.410 2.599 20 30 EFEDRM Clc1cccc2c1CCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822585583 1425723838 /nfs/dbraw/zinc/72/38/38/1425723838.db2.gz GCYBCVKEWGZQHR-UHFFFAOYSA-N -1 0 338.802 2.960 20 30 EFEDRM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503021 1425832947 /nfs/dbraw/zinc/83/29/47/1425832947.db2.gz AHYDIPOQSXCQIR-VZUCSPMQSA-N -1 0 340.289 2.804 20 30 EFEDRM COc1cccc(C=Nc2cc(-c3nn[n-]n3)ccc2Cl)c1O ZINC000821863240 1425942801 /nfs/dbraw/zinc/94/28/01/1425942801.db2.gz IYTLTUSNJWHYPL-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccc(F)cc2)C(C)C)o1 ZINC000822423322 1425990779 /nfs/dbraw/zinc/99/07/79/1425990779.db2.gz JIPAEFWHUJSRBK-UHFFFAOYSA-N -1 0 343.366 2.969 20 30 EFEDRM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822928304 1426067275 /nfs/dbraw/zinc/06/72/75/1426067275.db2.gz GPMSRXNUTVUMMZ-BJMVGYQFSA-N -1 0 342.362 2.949 20 30 EFEDRM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cn1 ZINC000820187422 1426104834 /nfs/dbraw/zinc/10/48/34/1426104834.db2.gz AJAYQUMBRXVIDN-UHFFFAOYSA-N -1 0 333.355 2.509 20 30 EFEDRM C=C(C)COCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819722550 1426117215 /nfs/dbraw/zinc/11/72/15/1426117215.db2.gz MSNLLCKWUZJJKG-UHFFFAOYSA-N -1 0 327.310 2.890 20 30 EFEDRM N#Cc1ccccc1SCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822842498 1426302700 /nfs/dbraw/zinc/30/27/00/1426302700.db2.gz LBEFDOSZYFLHIB-UHFFFAOYSA-N -1 0 342.409 2.531 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnc(OC2CCC2)c1 ZINC000180774942 1426323714 /nfs/dbraw/zinc/32/37/14/1426323714.db2.gz UABDSDXHCSQHNX-MRXNPFEDSA-N -1 0 341.411 2.784 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703905 1426335380 /nfs/dbraw/zinc/33/53/80/1426335380.db2.gz GHEQYAKZCKNTEJ-CQSZACIVSA-N -1 0 348.391 2.566 20 30 EFEDRM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1-c1nn[n-]n1 ZINC000737718106 1426346151 /nfs/dbraw/zinc/34/61/51/1426346151.db2.gz FDKLKWIDWJFHEW-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820461244 1426376024 /nfs/dbraw/zinc/37/60/24/1426376024.db2.gz GHMHGVVQDWPNHN-SNVBAGLBSA-N -1 0 335.327 2.820 20 30 EFEDRM COc1cc(C)cc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826178329 1426389810 /nfs/dbraw/zinc/38/98/10/1426389810.db2.gz SVCAUDYBZAKDLG-LCYFTJDESA-N -1 0 348.362 2.842 20 30 EFEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N)cc1Cl ZINC000823958791 1426408889 /nfs/dbraw/zinc/40/88/89/1426408889.db2.gz WWKSVOITLSJZKJ-UHFFFAOYSA-N -1 0 327.779 2.938 20 30 EFEDRM Cc1ccc(C2CC(=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)C2)cc1 ZINC000737333062 1426431176 /nfs/dbraw/zinc/43/11/76/1426431176.db2.gz ZNXMZLGVWFZBFK-UHFFFAOYSA-N -1 0 348.410 2.735 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000820155209 1426474789 /nfs/dbraw/zinc/47/47/89/1426474789.db2.gz KQZBGZHTRGYZDW-UHFFFAOYSA-N -1 0 347.378 2.644 20 30 EFEDRM CCC1(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCOCC1 ZINC000825164552 1426549623 /nfs/dbraw/zinc/54/96/23/1426549623.db2.gz CVOVTEQXEQFFAS-UHFFFAOYSA-N -1 0 335.799 2.520 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccncc1 ZINC000823888776 1426553446 /nfs/dbraw/zinc/55/34/46/1426553446.db2.gz WIWYPCJEFWELCG-INIZCTEOSA-N -1 0 334.383 2.617 20 30 EFEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCC2 ZINC000819772231 1426599027 /nfs/dbraw/zinc/59/90/27/1426599027.db2.gz BBHFPESWXCVPRV-UHFFFAOYSA-N -1 0 338.440 2.931 20 30 EFEDRM C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718798 1426606980 /nfs/dbraw/zinc/60/69/80/1426606980.db2.gz QNRUCWTVPIBZDM-UHFFFAOYSA-N -1 0 343.354 2.670 20 30 EFEDRM Cc1cc(N)ccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958365 1426707269 /nfs/dbraw/zinc/70/72/69/1426707269.db2.gz LMHCDPMTAZHRRE-UHFFFAOYSA-N -1 0 342.794 2.642 20 30 EFEDRM C=CCc1cc(CNc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1O ZINC000823937034 1426715575 /nfs/dbraw/zinc/71/55/75/1426715575.db2.gz FPTMSYAXCZKARM-UHFFFAOYSA-N -1 0 337.383 2.922 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000821849960 1426719719 /nfs/dbraw/zinc/71/97/19/1426719719.db2.gz UHHJYHAXRYQPAK-RUDMXATFSA-N -1 0 340.364 2.596 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)n2c1 ZINC000826295693 1426763364 /nfs/dbraw/zinc/76/33/64/1426763364.db2.gz UDRFAHUWCCXXIM-ONEGZZNKSA-N -1 0 336.380 2.780 20 30 EFEDRM CCc1ncc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000821516835 1426946398 /nfs/dbraw/zinc/94/63/98/1426946398.db2.gz DDMXIAMVWVSMPK-UHFFFAOYSA-N -1 0 346.420 2.617 20 30 EFEDRM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC2(C#N)CC2)n1 ZINC000826262195 1426956594 /nfs/dbraw/zinc/95/65/94/1426956594.db2.gz HHMCIOSJFZBYNS-UHFFFAOYSA-N -1 0 340.334 2.985 20 30 EFEDRM N#C[C@H](C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2n1 ZINC000822801767 1427002831 /nfs/dbraw/zinc/00/28/31/1427002831.db2.gz OCXOSFICOHADSK-LBPRGKRZSA-N -1 0 346.375 2.966 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894559 1427061944 /nfs/dbraw/zinc/06/19/44/1427061944.db2.gz SXSWBRHLVHQBBC-CYBMUJFWSA-N -1 0 328.420 2.753 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826400715 1427080220 /nfs/dbraw/zinc/08/02/20/1427080220.db2.gz GDPKJXJVWPYBDR-FNORWQNLSA-N -1 0 339.286 2.810 20 30 EFEDRM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923292 1427128148 /nfs/dbraw/zinc/12/81/48/1427128148.db2.gz POASLLWPRUCTIS-LZCJLJQNSA-N -1 0 328.278 2.747 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819759510 1427172569 /nfs/dbraw/zinc/17/25/69/1427172569.db2.gz YEYXSMKHTCTFGU-UHFFFAOYSA-N -1 0 342.380 2.885 20 30 EFEDRM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736392267 1427200303 /nfs/dbraw/zinc/20/03/03/1427200303.db2.gz PZXBUFWAXNFECJ-ZDUSSCGKSA-N -1 0 337.412 2.959 20 30 EFEDRM COc1ccc2c(c1)OC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821849969 1427218269 /nfs/dbraw/zinc/21/82/69/1427218269.db2.gz UIYMEXBFTADLEW-KPKJPENVSA-N -1 0 326.337 2.553 20 30 EFEDRM C=CCCCCCN(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819739765 1427224232 /nfs/dbraw/zinc/22/42/32/1427224232.db2.gz GQENBEOYGATAKF-UHFFFAOYSA-N -1 0 346.410 2.894 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824034772 1427269730 /nfs/dbraw/zinc/26/97/30/1427269730.db2.gz OUAWGMPCEHHEIE-NSHDSACASA-N -1 0 338.346 2.909 20 30 EFEDRM C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137873 1427299278 /nfs/dbraw/zinc/29/92/78/1427299278.db2.gz MMPDFIHEASSKJL-SECBINFHSA-N -1 0 325.763 2.960 20 30 EFEDRM C=CCN(CCc1ccco1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000823909715 1427419784 /nfs/dbraw/zinc/41/97/84/1427419784.db2.gz OJKCSLSVGIFLRQ-UHFFFAOYSA-N -1 0 336.808 2.805 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894052 1427451763 /nfs/dbraw/zinc/45/17/63/1427451763.db2.gz GEEQSYVPDAQZDA-ZDUSSCGKSA-N -1 0 328.420 2.753 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(C#N)cs2)o1 ZINC000819966088 1427453060 /nfs/dbraw/zinc/45/30/60/1427453060.db2.gz WCQRMJZRRDJOJE-UHFFFAOYSA-N -1 0 342.388 2.531 20 30 EFEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1cnc2ccccc2c1 ZINC000822739923 1427519428 /nfs/dbraw/zinc/51/94/28/1427519428.db2.gz DYJKKQSGUJRTCP-UHFFFAOYSA-N -1 0 347.357 2.678 20 30 EFEDRM CC(C)n1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cn1 ZINC000820211120 1427631503 /nfs/dbraw/zinc/63/15/03/1427631503.db2.gz DZCDQQGYLKBCEA-VGOFMYFVSA-N -1 0 334.383 2.857 20 30 EFEDRM CCOc1cccc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1O ZINC000821427388 1427735707 /nfs/dbraw/zinc/73/57/07/1427735707.db2.gz RVEIXYBIQCJHOA-OCKHKDLRSA-N -1 0 341.346 2.729 20 30 EFEDRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1(C)C ZINC000735680830 1427957122 /nfs/dbraw/zinc/95/71/22/1427957122.db2.gz ZQJJEPBXWMOSJE-HUUCEWRRSA-N -1 0 336.399 2.915 20 30 EFEDRM N#Cc1cc(Cl)ccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826383693 1428122724 /nfs/dbraw/zinc/12/27/24/1428122724.db2.gz LYFWUMXBDSOYJA-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC000736134294 1429827060 /nfs/dbraw/zinc/82/70/60/1429827060.db2.gz AYJQCMJMCBPMCP-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM Fc1ccc(C#CC[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826373734 1429905259 /nfs/dbraw/zinc/90/52/59/1429905259.db2.gz XRBYYPVNPJCOTR-UHFFFAOYSA-N -1 0 333.370 2.636 20 30 EFEDRM C#CCN(CC)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375071 1429921876 /nfs/dbraw/zinc/92/18/76/1429921876.db2.gz SBUFXNRBUDNMAI-UHFFFAOYSA-N -1 0 347.378 2.754 20 30 EFEDRM COc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737147186 1429928223 /nfs/dbraw/zinc/92/82/23/1429928223.db2.gz LRCSEOGFPUCXFX-KTKRTIGZSA-N -1 0 349.394 2.828 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000737719482 1429962869 /nfs/dbraw/zinc/96/28/69/1429962869.db2.gz QSECFCOILHRCBZ-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735446607 1430048542 /nfs/dbraw/zinc/04/85/42/1430048542.db2.gz BOKWKCHWXFNEHN-FLIBITNWSA-N -1 0 348.341 2.919 20 30 EFEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(F)c2F)o1 ZINC000735851061 1430178445 /nfs/dbraw/zinc/17/84/45/1430178445.db2.gz KUDDXQABTLKORU-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C#N)cc1 ZINC000820512274 1430209066 /nfs/dbraw/zinc/20/90/66/1430209066.db2.gz IQQIWODTOYRDDN-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM CC(C)(C)CN(CCC#N)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819913887 1441422509 /nfs/dbraw/zinc/42/25/09/1441422509.db2.gz GOBMERGLRAIUFD-UHFFFAOYSA-N -1 0 348.357 2.547 20 30 EFEDRM N#Cc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)ccc1-c1nn[n-]n1 ZINC000737705062 1441430142 /nfs/dbraw/zinc/43/01/42/1441430142.db2.gz MIHWINXIUFCSSJ-UHFFFAOYSA-N -1 0 348.410 2.749 20 30 EFEDRM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)n21 ZINC000826305303 1441442178 /nfs/dbraw/zinc/44/21/78/1441442178.db2.gz RFWAMRBBCAKWFZ-SOFGYWHQSA-N -1 0 348.341 2.858 20 30 EFEDRM CCc1ncc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000821516692 1441463786 /nfs/dbraw/zinc/46/37/86/1441463786.db2.gz AJQQMZMLLYOWNB-UHFFFAOYSA-N -1 0 346.420 2.518 20 30 EFEDRM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737081508 1441615105 /nfs/dbraw/zinc/61/51/05/1441615105.db2.gz OEMUBCUIUIYDED-YFHOEESVSA-N -1 0 349.394 2.828 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000823899250 1441636774 /nfs/dbraw/zinc/63/67/74/1441636774.db2.gz RQYLYZQRJZMAEA-UHFFFAOYSA-N -1 0 345.403 2.577 20 30 EFEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccncc2)s1 ZINC000819718785 1441774644 /nfs/dbraw/zinc/77/46/44/1441774644.db2.gz PYTUOQFLVGPWNK-UHFFFAOYSA-N -1 0 348.395 2.831 20 30 EFEDRM O=C1c2cc(F)ccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504979 1441794559 /nfs/dbraw/zinc/79/45/59/1441794559.db2.gz WNNRGLUSSANYHU-MKMNVTDBSA-N -1 0 326.262 2.761 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819730050 1441844988 /nfs/dbraw/zinc/84/49/88/1441844988.db2.gz QZPIAVQFBWANJT-LLVKDONJSA-N -1 0 336.399 2.579 20 30 EFEDRM CCOc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000736654660 1441862785 /nfs/dbraw/zinc/86/27/85/1441862785.db2.gz LRWNSXCGYMJRGG-VXLYETTFSA-N -1 0 341.346 2.729 20 30 EFEDRM CSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737192256 1441879793 /nfs/dbraw/zinc/87/97/93/1441879793.db2.gz SKILIOVGWORRSJ-UHFFFAOYSA-N -1 0 336.380 2.713 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819759000 1442016313 /nfs/dbraw/zinc/01/63/13/1442016313.db2.gz KKYTXMLZARGYAQ-UHFFFAOYSA-N -1 0 335.367 2.992 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)(C)C)n1 ZINC000826359844 1442026075 /nfs/dbraw/zinc/02/60/75/1442026075.db2.gz RMBBIHGMZYRUTO-MDZDMXLPSA-N -1 0 336.399 2.794 20 30 EFEDRM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)n1C1CC1 ZINC000822198614 1442124005 /nfs/dbraw/zinc/12/40/05/1442124005.db2.gz CGAYZESFWUSJOH-UHFFFAOYSA-N -1 0 335.415 2.744 20 30 EFEDRM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826381882 1442201600 /nfs/dbraw/zinc/20/16/00/1442201600.db2.gz CXYDNDJMLDTEDO-DAXSKMNVSA-N -1 0 349.325 2.804 20 30 EFEDRM C#CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838793 1442220286 /nfs/dbraw/zinc/22/02/86/1442220286.db2.gz UXHQWPRKHKZUCH-OAHLLOKOSA-N -1 0 334.339 2.951 20 30 EFEDRM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N ZINC000821573389 1442330904 /nfs/dbraw/zinc/33/09/04/1442330904.db2.gz OGXXKBJDVPREPY-UHFFFAOYSA-N -1 0 338.758 2.668 20 30 EFEDRM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823962484 1443090065 /nfs/dbraw/zinc/09/00/65/1443090065.db2.gz KPVMAEPIXCWHPB-UHFFFAOYSA-N -1 0 338.400 2.651 20 30 EFEDRM C#CCCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000823841406 1443148782 /nfs/dbraw/zinc/14/87/82/1443148782.db2.gz MSYZHDKHABHVOG-UHFFFAOYSA-N -1 0 328.372 2.502 20 30 EFEDRM Cc1ccc(F)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC000737344266 1443221960 /nfs/dbraw/zinc/22/19/60/1443221960.db2.gz CLRRBQUCROTUSD-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000826169833 1443355367 /nfs/dbraw/zinc/35/53/67/1443355367.db2.gz HARDZUXOFUSNSN-UHFFFAOYSA-N -1 0 346.394 2.526 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccc(O)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204325 1443373046 /nfs/dbraw/zinc/37/30/46/1443373046.db2.gz ZNCBAWYIFYUSBJ-TWGQIWQCSA-N -1 0 335.367 2.525 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Cl ZINC000737315346 1443420327 /nfs/dbraw/zinc/42/03/27/1443420327.db2.gz MXXQLASGQCHEOB-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM COc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826221519 1443440124 /nfs/dbraw/zinc/44/01/24/1443440124.db2.gz JIXJMAIWLBLYDN-PLNGDYQASA-N -1 0 330.344 2.972 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821343934 1443505414 /nfs/dbraw/zinc/50/54/14/1443505414.db2.gz ZQWNHYXLTJDZPK-VURMDHGXSA-N -1 0 338.323 2.533 20 30 EFEDRM C=CCC[C@@H](C(=O)N[C@@H](CCSC)c1nn[n-]n1)c1ccccc1 ZINC000912862660 1443561964 /nfs/dbraw/zinc/56/19/64/1443561964.db2.gz UGAVHVMOGAZKHM-CABCVRRESA-N -1 0 345.472 2.860 20 30 EFEDRM C[C@H](Nc1nc2ccccn2c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824662184 1443591191 /nfs/dbraw/zinc/59/11/91/1443591191.db2.gz FGEBOLMBPHWNCC-NSHDSACASA-N -1 0 330.355 2.559 20 30 EFEDRM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822822765 1443657483 /nfs/dbraw/zinc/65/74/83/1443657483.db2.gz DWSKXRRLRGZPGY-SUMWQHHRSA-N -1 0 344.378 2.556 20 30 EFEDRM N#Cc1cc(NC(=O)C[C@@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737705792 1443659640 /nfs/dbraw/zinc/65/96/40/1443659640.db2.gz REGOKRPMOXVTHN-ZDUSSCGKSA-N -1 0 344.378 2.797 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1CCC1 ZINC000823909682 1443736065 /nfs/dbraw/zinc/73/60/65/1443736065.db2.gz NCLIFRDCPNYNRE-CYBMUJFWSA-N -1 0 340.431 2.753 20 30 EFEDRM N#Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC000822833399 1443736216 /nfs/dbraw/zinc/73/62/16/1443736216.db2.gz PXGRSTKDZYWOTG-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM COCc1cccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000821695777 1443755092 /nfs/dbraw/zinc/75/50/92/1443755092.db2.gz IIDYCHREYFQJNK-UHFFFAOYSA-N -1 0 341.375 2.571 20 30 EFEDRM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000821786271 1443851863 /nfs/dbraw/zinc/85/18/63/1443851863.db2.gz CGMCMGRVQDQYLZ-UHFFFAOYSA-N -1 0 347.404 2.668 20 30 EFEDRM CCC1(CC)C(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@@H]1OC ZINC000820955991 1443875177 /nfs/dbraw/zinc/87/51/77/1443875177.db2.gz GQNFDQFTIZIKLF-NSHDSACASA-N -1 0 347.423 2.971 20 30 EFEDRM C=CCN(Cc1nnc(C(C)C)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426272 1443887369 /nfs/dbraw/zinc/88/73/69/1443887369.db2.gz OBRVZHQUSLIXGU-UHFFFAOYSA-N -1 0 339.403 2.561 20 30 EFEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402996 1443901299 /nfs/dbraw/zinc/90/12/99/1443901299.db2.gz HKBIQYILDHTCNM-ZHACJKMWSA-N -1 0 342.362 2.949 20 30 EFEDRM Cc1sc(NC(=O)Cc2cccc(C#N)c2)c(-c2nnn[n-]2)c1C ZINC000822563926 1443917005 /nfs/dbraw/zinc/91/70/05/1443917005.db2.gz QDBGQQMOSHTFSG-UHFFFAOYSA-N -1 0 338.396 2.598 20 30 EFEDRM N#CCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822811043 1443974708 /nfs/dbraw/zinc/97/47/08/1443974708.db2.gz RSTOPAHJTXCTGX-UHFFFAOYSA-N -1 0 337.364 2.698 20 30 EFEDRM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826333641 1443981647 /nfs/dbraw/zinc/98/16/47/1443981647.db2.gz PNWRGYKRGDKDNH-ARJAWSKDSA-N -1 0 334.792 2.520 20 30 EFEDRM COc1ccc(C=C2Cc3c(cccc3F)C2=O)cc1-c1nn[n-]n1 ZINC000737085073 1444001488 /nfs/dbraw/zinc/00/14/88/1444001488.db2.gz XYBOSNFDTVTFAH-YRNVUSSQSA-N -1 0 336.326 2.837 20 30 EFEDRM FC(F)(F)c1cc(NN=C2CCn3cccc32)ccc1-c1nn[n-]n1 ZINC000737632622 1446084871 /nfs/dbraw/zinc/08/48/71/1446084871.db2.gz LYXQISHULNACAR-UHFFFAOYSA-N -1 0 347.304 2.907 20 30 EFEDRM COc1ccc(C=C2CCc3cc(O)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083388 1446149529 /nfs/dbraw/zinc/14/95/29/1446149529.db2.gz NRLGTHNOMLQTEZ-JYRVWZFOSA-N -1 0 348.362 2.793 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737308303 1446159944 /nfs/dbraw/zinc/15/99/44/1446159944.db2.gz KSSPWUXZTQTLCP-FPLPWBNLSA-N -1 0 330.351 2.719 20 30 EFEDRM COc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000737120881 1446198761 /nfs/dbraw/zinc/19/87/61/1446198761.db2.gz IMPFGTGRWJZRJO-VURMDHGXSA-N -1 0 336.351 2.780 20 30 EFEDRM N#CCSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000729357174 1446242814 /nfs/dbraw/zinc/24/28/14/1446242814.db2.gz OTNPWJYZXLJVBP-UHFFFAOYSA-N -1 0 336.380 2.735 20 30 EFEDRM C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513386 1446345103 /nfs/dbraw/zinc/34/51/03/1446345103.db2.gz YXXYCRLHLDEXOW-GFCCVEGCSA-N -1 0 333.351 2.851 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000822422647 1446377514 /nfs/dbraw/zinc/37/75/14/1446377514.db2.gz AWHLWKASFWMIFM-QMMMGPOBSA-N -1 0 341.350 2.701 20 30 EFEDRM C=CCN(CC=C)C(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419279 1446558403 /nfs/dbraw/zinc/55/84/03/1446558403.db2.gz RIGGDPLRKCFYJS-CYBMUJFWSA-N -1 0 343.456 2.862 20 30 EFEDRM CCc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)o1 ZINC000821481727 1446597409 /nfs/dbraw/zinc/59/74/09/1446597409.db2.gz MQQOCDOHCMMZHB-UHFFFAOYSA-N -1 0 329.364 2.655 20 30 EFEDRM N#Cc1ccsc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826387792 1446642677 /nfs/dbraw/zinc/64/26/77/1446642677.db2.gz QVWDMBAPEWIYJX-UHFFFAOYSA-N -1 0 345.771 2.810 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819745457 1446655595 /nfs/dbraw/zinc/65/55/95/1446655595.db2.gz DNJMTMFTKWUNRL-UHFFFAOYSA-N -1 0 325.397 2.757 20 30 EFEDRM CCN(C[C@@H](C)C#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736513547 1446706836 /nfs/dbraw/zinc/70/68/36/1446706836.db2.gz PZSORKZSZSXWNQ-VIFPVBQESA-N -1 0 349.851 2.698 20 30 EFEDRM c1ccc2c(c1)CCSCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000823757805 1446712747 /nfs/dbraw/zinc/71/27/47/1446712747.db2.gz WLYHKXITMIVAQX-UHFFFAOYSA-N -1 0 336.424 2.972 20 30 EFEDRM C=CCCOCCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899048 1446937509 /nfs/dbraw/zinc/93/75/09/1446937509.db2.gz IYZYUIPBKHOIRB-UHFFFAOYSA-N -1 0 343.431 2.983 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](C#N)CCC#N ZINC000825609967 1446967653 /nfs/dbraw/zinc/96/76/53/1446967653.db2.gz VIHAZUDMGBJXDP-SNVBAGLBSA-N -1 0 346.778 2.741 20 30 EFEDRM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1F ZINC000826176990 1447079201 /nfs/dbraw/zinc/07/92/01/1447079201.db2.gz MWIXNNNNRBVZJK-HYXAFXHYSA-N -1 0 330.344 2.972 20 30 EFEDRM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nn[n-]n1 ZINC000737717586 1447147760 /nfs/dbraw/zinc/14/77/60/1447147760.db2.gz GOZIAOFMCBLMFP-UHFFFAOYSA-N -1 0 348.341 2.548 20 30 EFEDRM C[C@@H](C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034768 1449182903 /nfs/dbraw/zinc/18/29/03/1449182903.db2.gz OSAHRBUKSUHATI-LBPRGKRZSA-N -1 0 349.350 2.975 20 30 EFEDRM N#Cc1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC000822833637 1449226085 /nfs/dbraw/zinc/22/60/85/1449226085.db2.gz TXTGBJJDDSTHAR-UHFFFAOYSA-N -1 0 334.314 2.709 20 30 EFEDRM CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494785 1449229865 /nfs/dbraw/zinc/22/98/65/1449229865.db2.gz CTDUSWOSPXGPAC-CABCVRRESA-N -1 0 337.468 2.876 20 30 EFEDRM COc1ccc(CON=Cc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826206620 1449276514 /nfs/dbraw/zinc/27/65/14/1449276514.db2.gz DSIOKKMVLROSLU-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400558 1449289616 /nfs/dbraw/zinc/28/96/16/1449289616.db2.gz BGUCHEADQSJHMZ-ALCCZGGFSA-N -1 0 334.314 2.550 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823893971 1449453356 /nfs/dbraw/zinc/45/33/56/1449453356.db2.gz CSTLEZMKMMMOAD-CYBMUJFWSA-N -1 0 343.431 2.885 20 30 EFEDRM COc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000737120880 1449516970 /nfs/dbraw/zinc/51/69/70/1449516970.db2.gz IMPFGTGRWJZRJO-SOFGYWHQSA-N -1 0 336.351 2.780 20 30 EFEDRM Fc1cc2c(c(F)c1)CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826372870 1449553957 /nfs/dbraw/zinc/55/39/57/1449553957.db2.gz OUGZJDQNFLFUPA-UHFFFAOYSA-N -1 0 326.310 2.907 20 30 EFEDRM CC(C)[C@@H](C#N)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820016736 1449592589 /nfs/dbraw/zinc/59/25/89/1449592589.db2.gz OZTXUXTVZSTWQR-OAHLLOKOSA-N -1 0 343.387 2.507 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823894232 1449729834 /nfs/dbraw/zinc/72/98/34/1449729834.db2.gz LDLJHOZZHGJNAR-LBPRGKRZSA-N -1 0 331.445 2.820 20 30 EFEDRM COc1ccc(C=C2CCc3cc(O)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083390 1449764863 /nfs/dbraw/zinc/76/48/63/1449764863.db2.gz NRLGTHNOMLQTEZ-MDWZMJQESA-N -1 0 348.362 2.793 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000826381580 1449782078 /nfs/dbraw/zinc/78/20/78/1449782078.db2.gz QYVWJIUUDXFLLH-CYBMUJFWSA-N -1 0 338.396 2.703 20 30 EFEDRM Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000826261633 1449841301 /nfs/dbraw/zinc/84/13/01/1449841301.db2.gz LTPGDTSMJCDOAA-UHFFFAOYSA-N -1 0 335.415 2.898 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409896 1449932849 /nfs/dbraw/zinc/93/28/49/1449932849.db2.gz NYWFCGHUCIJNMT-QGZVFWFLSA-N -1 0 348.410 2.628 20 30 EFEDRM COC(=O)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821668692 1449963934 /nfs/dbraw/zinc/96/39/34/1449963934.db2.gz DUOMZKGLKFFRGO-SREVYHEPSA-N -1 0 340.364 2.611 20 30 EFEDRM C[C@H](Nc1c(C#N)nnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137570 1450165829 /nfs/dbraw/zinc/16/58/29/1450165829.db2.gz KXDFELARZDZHHW-NSHDSACASA-N -1 0 342.366 2.855 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(C#N)ccc1F ZINC000826252311 1450230008 /nfs/dbraw/zinc/23/00/08/1450230008.db2.gz YNBOPQWYLXZVSA-UHFFFAOYSA-N -1 0 337.314 2.543 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736309302 1450281026 /nfs/dbraw/zinc/28/10/26/1450281026.db2.gz NFGMPGSYSALQFT-ZDUSSCGKSA-N -1 0 335.371 2.555 20 30 EFEDRM CCCCCCCCn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736447875 1450387587 /nfs/dbraw/zinc/38/75/87/1450387587.db2.gz JHHSSOHWLDCTBM-UHFFFAOYSA-N -1 0 332.452 2.909 20 30 EFEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(F)cc1 ZINC000821394475 1450439721 /nfs/dbraw/zinc/43/97/21/1450439721.db2.gz KHNFGGSUIIBETE-UHFFFAOYSA-N -1 0 338.342 2.835 20 30 EFEDRM COc1cc(F)cc(NN=C(C)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826180563 1450524511 /nfs/dbraw/zinc/52/45/11/1450524511.db2.gz MOJRNCNRUAERCD-UHFFFAOYSA-N -1 0 332.364 2.912 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120236998 713025576 /nfs/dbraw/zinc/02/55/76/713025576.db2.gz PUAUQSVJEPKBPL-GFCCVEGCSA-N -1 0 343.383 2.894 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120263813 713040339 /nfs/dbraw/zinc/04/03/39/713040339.db2.gz ZVIQOTRXUIPFBS-NSHDSACASA-N -1 0 329.356 2.550 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000187083973 713054810 /nfs/dbraw/zinc/05/48/10/713054810.db2.gz RBQCJPVFQCCIKC-UHFFFAOYSA-N -1 0 331.393 2.816 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000187087521 713055173 /nfs/dbraw/zinc/05/51/73/713055173.db2.gz MMEVYVSXYIEPDS-UHFFFAOYSA-N -1 0 346.364 2.716 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175759628 713106911 /nfs/dbraw/zinc/10/69/11/713106911.db2.gz NKDNIQXVYQEQOQ-UHFFFAOYSA-N -1 0 349.365 2.993 20 30 EFEDRM O=C([O-])COc1ccc(Br)cc1C=NOC1CCC1 ZINC000812237001 713291045 /nfs/dbraw/zinc/29/10/45/713291045.db2.gz FBYPEALXMWCKHY-UHFFFAOYSA-N -1 0 328.162 2.816 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000806566977 713318323 /nfs/dbraw/zinc/31/83/23/713318323.db2.gz QXVXDHPRCORWCQ-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM O=C1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1 ZINC000255028353 713327538 /nfs/dbraw/zinc/32/75/38/713327538.db2.gz JKFLRZAOGYXWDL-CCOVPTLTSA-N -1 0 325.324 2.525 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1 ZINC000255041485 713367330 /nfs/dbraw/zinc/36/73/30/713367330.db2.gz GHMKAXNLSYHEQS-MRXNPFEDSA-N -1 0 329.400 2.686 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccncc2)C2CC2)cc1C#N ZINC000890922976 713611543 /nfs/dbraw/zinc/61/15/43/713611543.db2.gz ZGEYWRWKGWTOBB-AWEZNQCLSA-N -1 0 340.408 2.657 20 30 EFEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1 ZINC000121018303 713712028 /nfs/dbraw/zinc/71/20/28/713712028.db2.gz YLCXCRRFYVLYCB-OAHLLOKOSA-N -1 0 345.358 2.781 20 30 EFEDRM Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532538 714119222 /nfs/dbraw/zinc/11/92/22/714119222.db2.gz YIEGWABVIVNBFN-UHFFFAOYSA-N -1 0 329.381 2.759 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000121201610 714168914 /nfs/dbraw/zinc/16/89/14/714168914.db2.gz ONBOKRBJJIRVOW-CQSZACIVSA-N -1 0 347.390 2.803 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160482845 714192654 /nfs/dbraw/zinc/19/26/54/714192654.db2.gz QPAGCGJIWXKCAM-UHFFFAOYSA-N -1 0 345.486 2.833 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)n1C ZINC000083791729 714289417 /nfs/dbraw/zinc/28/94/17/714289417.db2.gz WJMJGKLJEBVSQQ-UHFFFAOYSA-N -1 0 326.805 2.822 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2C#N)c(F)c1 ZINC000255328051 714655824 /nfs/dbraw/zinc/65/58/24/714655824.db2.gz NZDYRAAMRFYUKS-CLFYSBASSA-N -1 0 344.367 2.524 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000121402982 714659842 /nfs/dbraw/zinc/65/98/42/714659842.db2.gz SJNJYHKWJDVAFR-LURJTMIESA-N -1 0 325.802 2.593 20 30 EFEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000176012749 714706251 /nfs/dbraw/zinc/70/62/51/714706251.db2.gz HFZHKCYNDPDCQT-UHFFFAOYSA-N -1 0 348.449 2.756 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1 ZINC000077942529 714729177 /nfs/dbraw/zinc/72/91/77/714729177.db2.gz UWZNFEQTEWNSOX-UHFFFAOYSA-N -1 0 348.277 2.933 20 30 EFEDRM C[C@@H]1Oc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2NC1=O ZINC000255397232 715014850 /nfs/dbraw/zinc/01/48/50/715014850.db2.gz CUMOFNBBFWSPHU-VIFPVBQESA-N -1 0 327.296 2.770 20 30 EFEDRM CCc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cs1 ZINC000066004165 718023506 /nfs/dbraw/zinc/02/35/06/718023506.db2.gz JYZNMFILAKTHTQ-UHFFFAOYSA-N -1 0 346.380 2.872 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1occc1Br ZINC000176090172 715051671 /nfs/dbraw/zinc/05/16/71/715051671.db2.gz JKHGYEYPOWSUGP-NSHDSACASA-N -1 0 347.168 2.681 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1occc1Br ZINC000176090971 715052078 /nfs/dbraw/zinc/05/20/78/715052078.db2.gz SLUSFVANRIJNFK-SNVBAGLBSA-N -1 0 339.189 2.813 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000178473451 715204641 /nfs/dbraw/zinc/20/46/41/715204641.db2.gz LOBZPEAUDJSNPV-NSHDSACASA-N -1 0 327.340 2.979 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893431629 715350846 /nfs/dbraw/zinc/35/08/46/715350846.db2.gz VOHMHVGJUMJCQG-UHFFFAOYSA-N -1 0 331.821 2.756 20 30 EFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000195292757 715431988 /nfs/dbraw/zinc/43/19/88/715431988.db2.gz GSWJGTYHSAWSDG-UHFFFAOYSA-N -1 0 335.857 2.629 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000124582276 715451754 /nfs/dbraw/zinc/45/17/54/715451754.db2.gz LEPLGOYBPUKPAP-CYBMUJFWSA-N -1 0 325.393 2.755 20 30 EFEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124793507 715490555 /nfs/dbraw/zinc/49/05/55/715490555.db2.gz DFVZTOQAXJATNH-LLVKDONJSA-N -1 0 329.381 2.656 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)N3CCCC3)s2)o1 ZINC000124902861 715552998 /nfs/dbraw/zinc/55/29/98/715552998.db2.gz MEGGXVQXAGIDJV-GFCCVEGCSA-N -1 0 343.408 2.965 20 30 EFEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000051900607 715803429 /nfs/dbraw/zinc/80/34/29/715803429.db2.gz LJLKHXUHQWAYDZ-UHFFFAOYSA-N -1 0 340.445 2.671 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000125010590 715803424 /nfs/dbraw/zinc/80/34/24/715803424.db2.gz FHCGOPGVLQGUQC-CQSZACIVSA-N -1 0 348.468 2.882 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)s2)C(=O)O1 ZINC000255557595 715841904 /nfs/dbraw/zinc/84/19/04/715841904.db2.gz JGRACYZESXGOJD-QQHVMHFCSA-N -1 0 341.182 2.739 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2 ZINC000125645915 716381749 /nfs/dbraw/zinc/38/17/49/716381749.db2.gz OVTWWOKYBMOJRI-HNNXBMFYSA-N -1 0 341.411 2.590 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000157965202 716394401 /nfs/dbraw/zinc/39/44/01/716394401.db2.gz QYUBDCXIOTWODB-UHFFFAOYSA-N -1 0 345.355 2.515 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000065644747 716452262 /nfs/dbraw/zinc/45/22/62/716452262.db2.gz DKOAMJXZXFJYTN-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM C#CCCCC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909379921 716587115 /nfs/dbraw/zinc/58/71/15/716587115.db2.gz VDNQJLOZKPKPOP-ZDUSSCGKSA-N -1 0 328.195 2.909 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)C1(c2cccc(Cl)c2)CC1 ZINC000052792880 716605683 /nfs/dbraw/zinc/60/56/83/716605683.db2.gz FMHYCGVMHRVKDB-UHFFFAOYSA-N -1 0 328.821 2.669 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000125734060 716957073 /nfs/dbraw/zinc/95/70/73/716957073.db2.gz SJQOVTKGMHSFTO-MRXNPFEDSA-N -1 0 338.411 2.891 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C)c1 ZINC000065763835 717347046 /nfs/dbraw/zinc/34/70/46/717347046.db2.gz RVBBIIGLIPYNFU-UHFFFAOYSA-N -1 0 340.445 2.501 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(c2cccc(C)c2)CC1 ZINC000065764172 717347185 /nfs/dbraw/zinc/34/71/85/717347185.db2.gz CKUCIRIHJXDWKJ-UHFFFAOYSA-N -1 0 334.397 2.977 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3cccnc3)c2)C(=O)O1 ZINC000255668945 717377619 /nfs/dbraw/zinc/37/76/19/717377619.db2.gz YWAXQNBITZKLPB-QULHZPMSSA-N -1 0 333.343 2.977 20 30 EFEDRM CN(C)C(=O)c1cccc(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255684511 717410535 /nfs/dbraw/zinc/41/05/35/717410535.db2.gz JLQFLDDIOIQRSX-UNOMPAQXSA-N -1 0 341.367 2.664 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2cccnc2OCC(F)(F)F)c1 ZINC000179736489 717860335 /nfs/dbraw/zinc/86/03/35/717860335.db2.gz GZHWIVZLVZHXFS-UHFFFAOYSA-N -1 0 337.257 2.852 20 30 EFEDRM C#CCCCS(=O)(=O)[N-][C@@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000840947286 718064884 /nfs/dbraw/zinc/06/48/84/718064884.db2.gz UBGIYPDWFFWHFT-ZDUSSCGKSA-N -1 0 337.338 2.936 20 30 EFEDRM O=C(Cn1ccc2ccc(Cl)cc21)[N-]S(=O)(=O)N1CCCC1 ZINC000066520012 718241653 /nfs/dbraw/zinc/24/16/53/718241653.db2.gz HPGHCINJLCEEKC-UHFFFAOYSA-N -1 0 341.820 2.592 20 30 EFEDRM CCCCCOc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000255898953 718335975 /nfs/dbraw/zinc/33/59/75/718335975.db2.gz ZVJLFQALEOTCLJ-FLIBITNWSA-N -1 0 342.395 2.951 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000255900965 718338279 /nfs/dbraw/zinc/33/82/79/718338279.db2.gz YOQBISXVSUPQEV-WDDBSPGISA-N -1 0 330.319 2.532 20 30 EFEDRM C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000935798011 718345261 /nfs/dbraw/zinc/34/52/61/718345261.db2.gz NRZQGBHYKXBDCR-GFCCVEGCSA-N -1 0 343.210 2.558 20 30 EFEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000127404763 724508946 /nfs/dbraw/zinc/50/89/46/724508946.db2.gz GARVKPQTKWZDJS-INIZCTEOSA-N -1 0 341.411 2.806 20 30 EFEDRM CCOC(=O)c1cnc(NC(=O)C=Cc2ccc(OC)c(OC)c2)[n-]1 ZINC000328591519 719327937 /nfs/dbraw/zinc/32/79/37/719327937.db2.gz RRLCZYQVLXFILU-SOFGYWHQSA-N -1 0 345.355 2.905 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2COC)CC1 ZINC000893015200 719453548 /nfs/dbraw/zinc/45/35/48/719453548.db2.gz RUFPRWABDVIYTI-UHFFFAOYSA-N -1 0 337.441 2.525 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)CC1 ZINC000893045614 719528065 /nfs/dbraw/zinc/52/80/65/719528065.db2.gz YTKLWMUBMRGKJJ-UHFFFAOYSA-N -1 0 347.436 2.757 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)OCC ZINC000909627446 724646549 /nfs/dbraw/zinc/64/65/49/724646549.db2.gz VHGOFYAQTKZADQ-GVDBMIGSSA-N -1 0 331.412 2.685 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182110769 720084968 /nfs/dbraw/zinc/08/49/68/720084968.db2.gz KSNYPEAYOTUGMD-UHFFFAOYSA-N -1 0 331.259 2.594 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000183110926 720216691 /nfs/dbraw/zinc/21/66/91/720216691.db2.gz ZIUCSQFCPKICFP-JTQLQIEISA-N -1 0 327.296 2.844 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123835027 720865298 /nfs/dbraw/zinc/86/52/98/720865298.db2.gz IUCLMUXIVZNAKJ-OAHLLOKOSA-N -1 0 337.766 2.851 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)c(Cl)c2)c(C)o1 ZINC000126251393 720948567 /nfs/dbraw/zinc/94/85/67/720948567.db2.gz YBZSOHMJBZBPSY-UHFFFAOYSA-N -1 0 338.772 2.540 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1 ZINC000123991178 721117266 /nfs/dbraw/zinc/11/72/66/721117266.db2.gz VAAOIRFFBHKBIN-UHFFFAOYSA-N -1 0 329.425 2.987 20 30 EFEDRM CCC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000048449036 722124522 /nfs/dbraw/zinc/12/45/22/722124522.db2.gz HNVAZWSWUWJVPF-UHFFFAOYSA-N -1 0 338.410 2.790 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2C)cc1 ZINC000048562781 722645343 /nfs/dbraw/zinc/64/53/43/722645343.db2.gz YGSFSCYEPYXUBF-UHFFFAOYSA-N -1 0 335.429 2.683 20 30 EFEDRM Cc1cc(C)nc([N-]N=C2c3cccc(C(F)(F)F)c3NC2=O)n1 ZINC000017643677 722670504 /nfs/dbraw/zinc/67/05/04/722670504.db2.gz YGSOLQKCQFYVSJ-UHFFFAOYSA-N -1 0 335.289 2.881 20 30 EFEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000069286310 728760025 /nfs/dbraw/zinc/76/00/25/728760025.db2.gz KSLZUDOUPBUQLI-LBPRGKRZSA-N -1 0 328.409 2.692 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(F)c(-c3cccs3)c2)c1=O ZINC000917533862 728756670 /nfs/dbraw/zinc/75/66/70/728756670.db2.gz BFGYEABFOIPUGH-UHFFFAOYSA-N -1 0 346.412 2.985 20 30 EFEDRM CC(C)OCCON=Cc1cc(C(=O)[O-])ccc1Br ZINC000901246038 728812639 /nfs/dbraw/zinc/81/26/39/728812639.db2.gz KRFXHAMPWSRBJC-UHFFFAOYSA-N -1 0 330.178 2.923 20 30 EFEDRM COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1C#N ZINC000738091198 723549419 /nfs/dbraw/zinc/54/94/19/723549419.db2.gz WAATXBPKHJCZJX-FNORWQNLSA-N -1 0 337.331 2.926 20 30 EFEDRM CSCCON=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000794572278 723799654 /nfs/dbraw/zinc/79/96/54/723799654.db2.gz NPCKNLHLCIVRSN-UHFFFAOYSA-N -1 0 348.218 2.626 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000909515604 724035764 /nfs/dbraw/zinc/03/57/64/724035764.db2.gz ZYXJFEZSOCPWIJ-LBPRGKRZSA-N -1 0 332.183 2.516 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc(C)c1F ZINC000154793475 728912538 /nfs/dbraw/zinc/91/25/38/728912538.db2.gz SFTNSPYIAGBBCS-UHFFFAOYSA-N -1 0 346.383 2.574 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000740812127 725527559 /nfs/dbraw/zinc/52/75/59/725527559.db2.gz SOAJTFYRUAHOQX-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000151543353 725614120 /nfs/dbraw/zinc/61/41/20/725614120.db2.gz LETAMXVPXXJEOI-CQSZACIVSA-N -1 0 336.819 2.902 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000151543442 725614281 /nfs/dbraw/zinc/61/42/81/725614281.db2.gz LETAMXVPXXJEOI-AWEZNQCLSA-N -1 0 336.819 2.902 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000151556777 725657291 /nfs/dbraw/zinc/65/72/91/725657291.db2.gz OYCOUDZBODCGKC-UHFFFAOYSA-N -1 0 336.457 2.634 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2csc(Br)c2)C(=O)O1 ZINC000913615174 725746533 /nfs/dbraw/zinc/74/65/33/725746533.db2.gz BGWACYBWWJWDPA-ZZKXABKFSA-N -1 0 341.182 2.739 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 ZINC000054427063 725874447 /nfs/dbraw/zinc/87/44/47/725874447.db2.gz NCMGXWKXRKMZQO-KHPPLWFESA-N -1 0 333.413 2.786 20 30 EFEDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000730404175 726123559 /nfs/dbraw/zinc/12/35/59/726123559.db2.gz SFZAIOPUTJNONC-JXMROGBWSA-N -1 0 326.805 2.763 20 30 EFEDRM CCCCSCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000730404060 726123590 /nfs/dbraw/zinc/12/35/90/726123590.db2.gz MQCLHIWSYBUKBO-UHFFFAOYSA-N -1 0 346.861 2.550 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)cc1Cl ZINC000730407065 726128194 /nfs/dbraw/zinc/12/81/94/726128194.db2.gz ANVGUMNICWGQRW-UHFFFAOYSA-N -1 0 340.832 2.987 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1 ZINC000152647406 726201724 /nfs/dbraw/zinc/20/17/24/726201724.db2.gz RNCABNQNWMGMRC-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000914430628 726293974 /nfs/dbraw/zinc/29/39/74/726293974.db2.gz FVNDYJNQHPZISU-NSHDSACASA-N -1 0 338.326 2.898 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000929022608 726308177 /nfs/dbraw/zinc/30/81/77/726308177.db2.gz ACEAIFYWMRSOSA-JTQLQIEISA-N -1 0 328.315 2.631 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1 ZINC000054488190 726350101 /nfs/dbraw/zinc/35/01/01/726350101.db2.gz INQFHWAEARRKED-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000152986638 726354957 /nfs/dbraw/zinc/35/49/57/726354957.db2.gz PEURNTAMOJYROD-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000054491885 726355691 /nfs/dbraw/zinc/35/56/91/726355691.db2.gz UDUVPDDEEAPLFS-UHFFFAOYSA-N -1 0 344.345 2.797 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCC(C)=N2)cc1 ZINC000193382082 726882246 /nfs/dbraw/zinc/88/22/46/726882246.db2.gz DWKYYWCMTTVAHQ-KRWDZBQOSA-N -1 0 340.427 2.901 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(C)o2)[nH]n1 ZINC000193382430 726882318 /nfs/dbraw/zinc/88/23/18/726882318.db2.gz STUJOILBOZUDOD-GFCCVEGCSA-N -1 0 328.372 2.607 20 30 EFEDRM C[C@@H](NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000731558223 726894986 /nfs/dbraw/zinc/89/49/86/726894986.db2.gz NCTVRAAGCGHFRA-GFCCVEGCSA-N -1 0 343.339 2.743 20 30 EFEDRM O=C([O-])c1ccccc1COc1cccc(C=NN2CCOCC2)c1 ZINC000731560870 726895156 /nfs/dbraw/zinc/89/51/56/726895156.db2.gz YMUYPFNSIBZDJN-UHFFFAOYSA-N -1 0 340.379 2.630 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnn1C(C)(C)C ZINC000193434782 726918771 /nfs/dbraw/zinc/91/87/71/726918771.db2.gz IUZPKWHYQVMYLH-AWEZNQCLSA-N -1 0 330.432 2.718 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)C2(C#N)CCSCC2)cc1)C(=O)[O-] ZINC000907636577 726979494 /nfs/dbraw/zinc/97/94/94/726979494.db2.gz XXSVCJMBVRPWFJ-GFCCVEGCSA-N -1 0 332.425 2.925 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1OC ZINC000908019450 727077220 /nfs/dbraw/zinc/07/72/20/727077220.db2.gz XAQUYXSSEXIEST-OAHLLOKOSA-N -1 0 335.400 2.879 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)c(F)c1 ZINC000908391785 727177341 /nfs/dbraw/zinc/17/73/41/727177341.db2.gz DRUCGWYKHWLEOM-HNNXBMFYSA-N -1 0 349.362 2.661 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)oc1C ZINC000129185394 727187491 /nfs/dbraw/zinc/18/74/91/727187491.db2.gz BLZJFKBZLVRYHH-UHFFFAOYSA-N -1 0 338.772 2.540 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000129185486 727193446 /nfs/dbraw/zinc/19/34/46/727193446.db2.gz FCSFMKZKPNPCNA-CYBMUJFWSA-N -1 0 332.450 2.766 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(Br)nc2)c1 ZINC000732712274 727194708 /nfs/dbraw/zinc/19/47/08/727194708.db2.gz YSXARRRGUMEJKW-UHFFFAOYSA-N -1 0 337.133 2.904 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000908624369 727227428 /nfs/dbraw/zinc/22/74/28/727227428.db2.gz WYJKOJBFFHHFFM-INIZCTEOSA-N -1 0 330.384 2.744 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)C(=O)[O-] ZINC000908626097 727227719 /nfs/dbraw/zinc/22/77/19/727227719.db2.gz UXDFSQCQNLEQTI-LLVKDONJSA-N -1 0 345.182 2.990 20 30 EFEDRM C=CCOc1cccc(NC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC000908620362 727232774 /nfs/dbraw/zinc/23/27/74/727232774.db2.gz XORUSKXCYRAZDH-HNNXBMFYSA-N -1 0 336.388 2.593 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000382502508 727255161 /nfs/dbraw/zinc/25/51/61/727255161.db2.gz RGZXZWHBAVRCJM-UHFFFAOYSA-N -1 0 333.768 2.518 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1 ZINC000908776034 727256222 /nfs/dbraw/zinc/25/62/22/727256222.db2.gz ONJMOUHDSHFXDZ-UHFFFAOYSA-N -1 0 343.383 2.955 20 30 EFEDRM CC[C@@](C)(NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000908767882 727260197 /nfs/dbraw/zinc/26/01/97/727260197.db2.gz AIIUFOIUKYRVBD-OAHLLOKOSA-N -1 0 342.317 2.609 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC ZINC000732904356 727269751 /nfs/dbraw/zinc/26/97/51/727269751.db2.gz QDBLDUWJRFVQGR-ZDUSSCGKSA-N -1 0 325.430 2.747 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N ZINC000732904261 727270637 /nfs/dbraw/zinc/27/06/37/727270637.db2.gz BGQXKRGVPAPGEJ-ZDUSSCGKSA-N -1 0 347.440 2.661 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000908853158 727275661 /nfs/dbraw/zinc/27/56/61/727275661.db2.gz CYDZORAVFGVIHM-HZPDHXFCSA-N -1 0 335.400 2.699 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000908945973 727290894 /nfs/dbraw/zinc/29/08/94/727290894.db2.gz NFVKMNUQVPXODR-SNVBAGLBSA-N -1 0 325.434 2.659 20 30 EFEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000909030939 727307343 /nfs/dbraw/zinc/30/73/43/727307343.db2.gz QQLILSMPFVHYBJ-GFCCVEGCSA-N -1 0 341.205 2.840 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000909059843 727316148 /nfs/dbraw/zinc/31/61/48/727316148.db2.gz IJMPTVLIHLTSME-BBWFWOEESA-N -1 0 346.427 2.668 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])OCC ZINC000909237845 727350928 /nfs/dbraw/zinc/35/09/28/727350928.db2.gz JBQWZUFADJYYOE-HOCLYGCPSA-N -1 0 337.391 2.557 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909711670 727366114 /nfs/dbraw/zinc/36/61/14/727366114.db2.gz JHIRRTGSQROAOS-VQIMIIECSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@H](NC(=O)C1(Cc2ccccc2)CCOCC1)C(=O)[O-] ZINC000909712975 727366412 /nfs/dbraw/zinc/36/64/12/727366412.db2.gz CJSIWCYMWPGODZ-INIZCTEOSA-N -1 0 331.412 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cn(CC(C)C)nc1C(F)F)C(=O)[O-] ZINC000909717385 727367994 /nfs/dbraw/zinc/36/79/94/727367994.db2.gz ZDSMICBQSRXUMP-NSHDSACASA-N -1 0 329.347 2.626 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000909716697 727368045 /nfs/dbraw/zinc/36/80/45/727368045.db2.gz BPUHCEBXTQLIAK-DLBZAZTESA-N -1 0 348.418 2.716 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000909765862 727373107 /nfs/dbraw/zinc/37/31/07/727373107.db2.gz GQEXQIFKHUXXGZ-CYBMUJFWSA-N -1 0 336.775 2.515 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000909768705 727373474 /nfs/dbraw/zinc/37/34/74/727373474.db2.gz WBTVCZLCKZYTFP-GUYCJALGSA-N -1 0 327.380 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC000909769726 727373559 /nfs/dbraw/zinc/37/35/59/727373559.db2.gz BLALOFBQBQYKFF-INIZCTEOSA-N -1 0 348.443 2.839 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000909798298 727375720 /nfs/dbraw/zinc/37/57/20/727375720.db2.gz UBTFLCBBHJZKCG-SCLBCKFNSA-N -1 0 335.400 2.556 20 30 EFEDRM CCN(CCC#N)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1O ZINC000909862593 727392768 /nfs/dbraw/zinc/39/27/68/727392768.db2.gz HOIMJBCFXNMPJX-UHFFFAOYSA-N -1 0 345.182 2.618 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910053513 727406054 /nfs/dbraw/zinc/40/60/54/727406054.db2.gz AUSMPSMWURBMLJ-FROQITRMSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@@H](NC(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C(=O)[O-] ZINC000910054072 727406146 /nfs/dbraw/zinc/40/61/46/727406146.db2.gz IPVCKLQMYQUYTA-OAHLLOKOSA-N -1 0 342.395 2.575 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910057672 727406416 /nfs/dbraw/zinc/40/64/16/727406416.db2.gz QLNMXJMYZSCJTH-UHFFFAOYSA-N -1 0 343.301 2.817 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910045941 727407999 /nfs/dbraw/zinc/40/79/99/727407999.db2.gz HSPNFMWTKHWTAZ-OCCSQVGLSA-N -1 0 341.329 2.867 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910048300 727408057 /nfs/dbraw/zinc/40/80/57/727408057.db2.gz IIPRJUBUKHYCKT-FMQWLBJXSA-N -1 0 327.380 2.614 20 30 EFEDRM N#CCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)cc1 ZINC000910116435 727410783 /nfs/dbraw/zinc/41/07/83/727410783.db2.gz YFIKAJZEJWSKPA-CQSZACIVSA-N -1 0 341.392 2.885 20 30 EFEDRM N#CCc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)cc1 ZINC000910116434 727410813 /nfs/dbraw/zinc/41/08/13/727410813.db2.gz YFIKAJZEJWSKPA-AWEZNQCLSA-N -1 0 341.392 2.885 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910256215 727424521 /nfs/dbraw/zinc/42/45/21/727424521.db2.gz VKKSOFMKKGPHHM-UHFFFAOYSA-N -1 0 342.189 2.987 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC000910287330 727427772 /nfs/dbraw/zinc/42/77/72/727427772.db2.gz OIVMILNYDWYNQN-MRVPVSSYSA-N -1 0 339.442 2.573 20 30 EFEDRM C=CCc1cc(CNc2ncc(C(=O)[O-])c(C)n2)cc(OC)c1OC ZINC000910287189 727427876 /nfs/dbraw/zinc/42/78/76/727427876.db2.gz BDYVBAGVTGQQMN-UHFFFAOYSA-N -1 0 343.383 2.841 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)[O-] ZINC000910294107 727430906 /nfs/dbraw/zinc/43/09/06/727430906.db2.gz NWGAANWHVMWODT-CQSZACIVSA-N -1 0 334.416 2.727 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCc1cccc(OC(C)(C)C)n1)C(=O)[O-] ZINC000910294105 727430942 /nfs/dbraw/zinc/43/09/42/727430942.db2.gz NWGAANWHVMWODT-AWEZNQCLSA-N -1 0 334.416 2.727 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1noc2c1CCc1ccccc1-2)C(=O)[O-] ZINC000910294767 727431172 /nfs/dbraw/zinc/43/11/72/727431172.db2.gz RZHNKTHLIBXNPS-CQSZACIVSA-N -1 0 326.352 2.589 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-])c1ccccc1 ZINC000910465957 727443852 /nfs/dbraw/zinc/44/38/52/727443852.db2.gz LTPDXWGIRHIEAC-RDJZCZTQSA-N -1 0 331.412 2.732 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000910517868 727447165 /nfs/dbraw/zinc/44/71/65/727447165.db2.gz WSRSLNVVCJTVLH-HNNXBMFYSA-N -1 0 327.384 2.795 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)OCC ZINC000910686809 727458873 /nfs/dbraw/zinc/45/88/73/727458873.db2.gz ZVCNQAKXJXMDIM-PWSUYJOCSA-N -1 0 338.429 2.642 20 30 EFEDRM CCc1csc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n1 ZINC000910718282 727461183 /nfs/dbraw/zinc/46/11/83/727461183.db2.gz LLSCFPVDNOGPCX-QMMMGPOBSA-N -1 0 348.453 2.891 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C(=O)[O-] ZINC000910913780 727471686 /nfs/dbraw/zinc/47/16/86/727471686.db2.gz CIQGWDRGCNUJHV-KRWDZBQOSA-N -1 0 347.411 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1CCN(c2ccccc2F)C1)C(=O)[O-] ZINC000910924854 727472395 /nfs/dbraw/zinc/47/23/95/727472395.db2.gz FKZQRPRBRDHRQY-ZFWWWQNUSA-N -1 0 334.391 2.578 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)C(=O)[O-] ZINC000910926887 727472495 /nfs/dbraw/zinc/47/24/95/727472495.db2.gz VLHFMEZUYAKJBP-MRXNPFEDSA-N -1 0 341.411 2.550 20 30 EFEDRM C#CCC1(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCCCC1 ZINC000911348201 727532007 /nfs/dbraw/zinc/53/20/07/727532007.db2.gz BHLBGNJRUPZLJT-MRXNPFEDSA-N -1 0 343.423 2.726 20 30 EFEDRM C=C[C@H](CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000911586258 727565884 /nfs/dbraw/zinc/56/58/84/727565884.db2.gz VDNPDYJBTVABLU-DOMZBBRYSA-N -1 0 329.400 2.926 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=NNC(=S)Nc2ccccc2F)c1 ZINC000915921102 727639977 /nfs/dbraw/zinc/63/99/77/727639977.db2.gz NMFCZIQSCVJFQW-UHFFFAOYSA-N -1 0 334.332 2.760 20 30 EFEDRM O=C([O-])COc1ccccc1C=NNC(=S)Nc1ccccc1F ZINC000915920321 727640064 /nfs/dbraw/zinc/64/00/64/727640064.db2.gz DXKHLICXHPRSOE-UHFFFAOYSA-N -1 0 347.371 2.610 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OCC ZINC000129388326 727642699 /nfs/dbraw/zinc/64/26/99/727642699.db2.gz XNPXMIAEIQJEGK-OAHLLOKOSA-N -1 0 344.411 2.865 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1 ZINC000915987871 727645978 /nfs/dbraw/zinc/64/59/78/727645978.db2.gz LUBCRAJXSWNHHD-SXGWCWSVSA-N -1 0 326.304 2.862 20 30 EFEDRM CC(C)CN1c2ccccc2C(=N[N-]c2nccnc2Cl)C1=O ZINC000733078764 727659689 /nfs/dbraw/zinc/65/96/89/727659689.db2.gz KDNMVNLRJGIHLA-UHFFFAOYSA-N -1 0 329.791 2.949 20 30 EFEDRM Cn1c2ccccc2sc1=NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000916271147 727672362 /nfs/dbraw/zinc/67/23/62/727672362.db2.gz MMOOLFVKVOCTKO-UHFFFAOYSA-N -1 0 341.392 2.638 20 30 EFEDRM C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000916276176 727672877 /nfs/dbraw/zinc/67/28/77/727672877.db2.gz ODQMUAWDVYWBBI-GXFFZTMASA-N -1 0 336.417 2.677 20 30 EFEDRM CCOc1cc(C=NNc2nnc(C)c(=O)[n-]2)ccc1OCC(C)C ZINC000916280089 727673087 /nfs/dbraw/zinc/67/30/87/727673087.db2.gz VWKMOESQULHMQP-UHFFFAOYSA-N -1 0 345.403 2.765 20 30 EFEDRM Cc1nnc(NN=Cc2cccc(OCc3ccccc3)c2)[n-]c1=O ZINC000916282616 727673583 /nfs/dbraw/zinc/67/35/83/727673583.db2.gz LDQCTYZSJATSCF-UHFFFAOYSA-N -1 0 335.367 2.911 20 30 EFEDRM O=[N+]([O-])c1cc(C=NN2C(=S)N=NC2c2cccs2)ccc1[O-] ZINC000916314256 727676461 /nfs/dbraw/zinc/67/64/61/727676461.db2.gz RYDOBGRTISGUMZ-UHFFFAOYSA-N -1 0 347.381 2.791 20 30 EFEDRM COc1ccc(-c2nc(SC[C@@H](O)C(C)C)[n-]c(=O)c2C#N)cc1 ZINC000916494844 727691245 /nfs/dbraw/zinc/69/12/45/727691245.db2.gz SXHQYZDBPDJWFU-CQSZACIVSA-N -1 0 345.424 2.838 20 30 EFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccoc2C)C1=O ZINC000154019913 727691845 /nfs/dbraw/zinc/69/18/45/727691845.db2.gz BXEPJJIZICVOSX-KRWDZBQOSA-N -1 0 335.404 2.904 20 30 EFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000916540605 727694274 /nfs/dbraw/zinc/69/42/74/727694274.db2.gz DTAJFOSDLYZDEZ-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCCC3)c1 ZINC000916809110 727737118 /nfs/dbraw/zinc/73/71/18/727737118.db2.gz XQKXHZYHVJWBBT-UHFFFAOYSA-N -1 0 340.404 2.556 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000916917712 727741641 /nfs/dbraw/zinc/74/16/41/727741641.db2.gz MNGSXTNUTJZLHZ-GFCCVEGCSA-N -1 0 329.356 2.574 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000916918534 727741788 /nfs/dbraw/zinc/74/17/88/727741788.db2.gz TYBALXGFJXSOFR-CYBMUJFWSA-N -1 0 332.450 2.790 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)o2)cc1 ZINC000916945926 727745154 /nfs/dbraw/zinc/74/51/54/727745154.db2.gz XYWOBLMSSIJOOB-OAHLLOKOSA-N -1 0 338.363 2.996 20 30 EFEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917041218 727756271 /nfs/dbraw/zinc/75/62/71/727756271.db2.gz RCUHTJGLJLILPN-KRWDZBQOSA-N -1 0 328.412 2.993 20 30 EFEDRM CC(C)OCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917041220 727756275 /nfs/dbraw/zinc/75/62/75/727756275.db2.gz RCUHTJGLJLILPN-QGZVFWFLSA-N -1 0 328.412 2.993 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000129506134 727814210 /nfs/dbraw/zinc/81/42/10/727814210.db2.gz HDHSYJGSOKKPSU-NSHDSACASA-N -1 0 347.168 2.796 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000913301798 727814553 /nfs/dbraw/zinc/81/45/53/727814553.db2.gz BJRUBEPPGMZNNK-GFCCVEGCSA-N -1 0 331.372 2.640 20 30 EFEDRM Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000054801604 727880119 /nfs/dbraw/zinc/88/01/19/727880119.db2.gz LPUKZHDMPLMIGJ-UHFFFAOYSA-N -1 0 347.440 2.577 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Br)c1 ZINC000156515820 727926868 /nfs/dbraw/zinc/92/68/68/727926868.db2.gz IIPYIQIFNQPSNZ-LLVKDONJSA-N -1 0 343.608 2.950 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129601261 727942914 /nfs/dbraw/zinc/94/29/14/727942914.db2.gz YUWNGFCZOQCUIE-CQSZACIVSA-N -1 0 339.420 2.643 20 30 EFEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)NC3CC3)s2)o1 ZINC000129604287 727945349 /nfs/dbraw/zinc/94/53/49/727945349.db2.gz QBFNHXZMIIWHAX-LLVKDONJSA-N -1 0 329.381 2.621 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000183106083 727959941 /nfs/dbraw/zinc/95/99/41/727959941.db2.gz HAHOXQDCBGGVRU-SNVBAGLBSA-N -1 0 327.296 2.844 20 30 EFEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100106 727972668 /nfs/dbraw/zinc/97/26/68/727972668.db2.gz DTJPDRDVPBOASM-UHFFFAOYSA-N -1 0 325.336 2.994 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000183136405 727975282 /nfs/dbraw/zinc/97/52/82/727975282.db2.gz TWHGGSUACJCGOH-GFCCVEGCSA-N -1 0 332.381 2.787 20 30 EFEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000165073568 728009149 /nfs/dbraw/zinc/00/91/49/728009149.db2.gz XQKQZHKKORMVIY-SOFGYWHQSA-N -1 0 336.307 2.777 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000165218603 728022471 /nfs/dbraw/zinc/02/24/71/728022471.db2.gz QUXUYNNKBQAVPF-ARFHVFGLSA-N -1 0 346.452 2.970 20 30 EFEDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)s1 ZINC000058048736 728132053 /nfs/dbraw/zinc/13/20/53/728132053.db2.gz LJJHKBYABUROLV-UHFFFAOYSA-N -1 0 344.458 2.610 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccn(-c2ccccc2)n1 ZINC000058080052 728140475 /nfs/dbraw/zinc/14/04/75/728140475.db2.gz ILEJVQWTVRDJAH-UHFFFAOYSA-N -1 0 333.413 2.839 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3n2C)c1 ZINC000058187985 728149158 /nfs/dbraw/zinc/14/91/58/728149158.db2.gz VDBMUKBETHQPMU-UHFFFAOYSA-N -1 0 344.392 2.880 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)ccc1Br ZINC000158019059 728274502 /nfs/dbraw/zinc/27/45/02/728274502.db2.gz VHIJFWMSWKMUAE-LLVKDONJSA-N -1 0 346.184 2.696 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000046929702 728324587 /nfs/dbraw/zinc/32/45/87/728324587.db2.gz MXZBFUJUFIRBQN-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C)c2)cc1 ZINC000046927189 728325434 /nfs/dbraw/zinc/32/54/34/728325434.db2.gz BZYFYXUGJHNIDG-UHFFFAOYSA-N -1 0 346.408 2.955 20 30 EFEDRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000046927649 728325737 /nfs/dbraw/zinc/32/57/37/728325737.db2.gz WPPVHXPGRBVUGU-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927692 728325759 /nfs/dbraw/zinc/32/57/59/728325759.db2.gz OXLLBQNQRPZULB-UHFFFAOYSA-N -1 0 338.316 2.622 20 30 EFEDRM O=C(Nc1nnn[n-]1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000060380383 728356335 /nfs/dbraw/zinc/35/63/35/728356335.db2.gz NBBSQQQAAVRHNJ-HNNXBMFYSA-N -1 0 333.355 2.795 20 30 EFEDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000060765314 728421142 /nfs/dbraw/zinc/42/11/42/728421142.db2.gz DJSCFUDLKBHSAL-LLVKDONJSA-N -1 0 335.429 2.794 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000170671616 728463945 /nfs/dbraw/zinc/46/39/45/728463945.db2.gz PZHFHIJJSVUHHZ-LBPRGKRZSA-N -1 0 346.383 2.696 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000171105756 728514650 /nfs/dbraw/zinc/51/46/50/728514650.db2.gz YLVQIHGTBZRZHR-ZDUSSCGKSA-N -1 0 345.399 2.720 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171145862 728519528 /nfs/dbraw/zinc/51/95/28/728519528.db2.gz ACCXXSKSFBHZME-LBPRGKRZSA-N -1 0 337.445 2.520 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000171329272 728530083 /nfs/dbraw/zinc/53/00/83/728530083.db2.gz PPNWVCZKISGWCG-VIFPVBQESA-N -1 0 347.346 2.689 20 30 EFEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC2CC2)cs1 ZINC000171365995 728532526 /nfs/dbraw/zinc/53/25/26/728532526.db2.gz RNEYJRPWGUREKT-CYBMUJFWSA-N -1 0 325.393 2.720 20 30 EFEDRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172209203 728574343 /nfs/dbraw/zinc/57/43/43/728574343.db2.gz OUFPCTQIISEGKE-CQSZACIVSA-N -1 0 342.420 2.865 20 30 EFEDRM C#CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000172950293 728611621 /nfs/dbraw/zinc/61/16/21/728611621.db2.gz OXHQYISPXVBYLY-UHFFFAOYSA-N -1 0 348.449 2.692 20 30 EFEDRM CCNC(=O)CCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000173915677 728642248 /nfs/dbraw/zinc/64/22/48/728642248.db2.gz RLILHAGRYSAWFG-AWEZNQCLSA-N -1 0 339.395 2.674 20 30 EFEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)cs1 ZINC000173974856 728643486 /nfs/dbraw/zinc/64/34/86/728643486.db2.gz HIHMLVMHRWWOGS-AWEZNQCLSA-N -1 0 325.393 2.720 20 30 EFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571629 729003771 /nfs/dbraw/zinc/00/37/71/729003771.db2.gz TXIYEFIHNPFOMX-QWRGUYRKSA-N -1 0 337.319 2.776 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571568 729003775 /nfs/dbraw/zinc/00/37/75/729003775.db2.gz JYMKKMAQGWSWQD-MRVPVSSYSA-N -1 0 325.308 2.776 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COC2CCCCC2)n1 ZINC000919373001 729015605 /nfs/dbraw/zinc/01/56/05/729015605.db2.gz NNIAYHGQRXIWLH-ZDUSSCGKSA-N -1 0 336.413 2.520 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C)cc(C)c2)cc1 ZINC000155034609 729059085 /nfs/dbraw/zinc/05/90/85/729059085.db2.gz WNGODSJNUVHKNZ-GOSISDBHSA-N -1 0 336.391 2.951 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000155048502 729066819 /nfs/dbraw/zinc/06/68/19/729066819.db2.gz MUEXCGMCPJMZEI-MRXNPFEDSA-N -1 0 344.317 2.612 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(F)c2)cc1 ZINC000155066649 729072662 /nfs/dbraw/zinc/07/26/62/729072662.db2.gz IGQVLVLCQJIQKJ-INIZCTEOSA-N -1 0 340.354 2.782 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)C3CC3)cc2[n-]c1=S ZINC000920040545 729131869 /nfs/dbraw/zinc/13/18/69/729131869.db2.gz UAYBCDZHFIZVPB-LLVKDONJSA-N -1 0 343.452 2.647 20 30 EFEDRM Cc1nn(C)c(C)c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000920105860 729142495 /nfs/dbraw/zinc/14/24/95/729142495.db2.gz GXZJRDHHLQEAFQ-MRXNPFEDSA-N -1 0 348.406 2.961 20 30 EFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000920115224 729146757 /nfs/dbraw/zinc/14/67/57/729146757.db2.gz AKTJLYYCCUOTBZ-GFCCVEGCSA-N -1 0 336.351 2.838 20 30 EFEDRM COCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000920838203 729236491 /nfs/dbraw/zinc/23/64/91/729236491.db2.gz CNZUDSKTKFUCLC-NSHDSACASA-N -1 0 349.799 2.904 20 30 EFEDRM C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000921162062 729267222 /nfs/dbraw/zinc/26/72/22/729267222.db2.gz WGQNXWNVKSFKRG-UHFFFAOYSA-N -1 0 328.755 2.661 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccsc2)n1 ZINC000921253606 729279059 /nfs/dbraw/zinc/27/90/59/729279059.db2.gz QAZLNJLMBDBTRQ-ZZKXABKFSA-N -1 0 332.406 2.946 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cc1OC ZINC000064666375 729505561 /nfs/dbraw/zinc/50/55/61/729505561.db2.gz FZWFMMGDMVPNKS-JTQLQIEISA-N -1 0 327.402 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000064667036 729507589 /nfs/dbraw/zinc/50/75/89/729507589.db2.gz HKNSXFNCNXCJCJ-SECBINFHSA-N -1 0 342.373 2.685 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000179735089 729619050 /nfs/dbraw/zinc/61/90/50/729619050.db2.gz OQZIDHPKOBMDQI-GJZGRUSLSA-N -1 0 341.411 2.631 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068335893 729666303 /nfs/dbraw/zinc/66/63/03/729666303.db2.gz HKNSXFNCNXCJCJ-VIFPVBQESA-N -1 0 342.373 2.685 20 30 EFEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OCC ZINC000130837706 729729557 /nfs/dbraw/zinc/72/95/57/729729557.db2.gz RBYOYHBPMVMHHQ-AWEZNQCLSA-N -1 0 332.400 2.721 20 30 EFEDRM C=C(Br)CNC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000797715542 939176285 /nfs/dbraw/zinc/17/62/85/939176285.db2.gz RBXMFRLSKTVAFT-LBPRGKRZSA-N -1 0 341.205 2.637 20 30 EFEDRM C=C(Br)CNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000797716022 939177285 /nfs/dbraw/zinc/17/72/85/939177285.db2.gz XVCLBGCKPWILSD-LBPRGKRZSA-N -1 0 341.205 2.637 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000797736982 939199498 /nfs/dbraw/zinc/19/94/98/939199498.db2.gz MBVHXAGCDKROBP-OAHLLOKOSA-N -1 0 330.290 2.894 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000797742811 939205030 /nfs/dbraw/zinc/20/50/30/939205030.db2.gz GJONJYJRTIEELP-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746337 939265731 /nfs/dbraw/zinc/26/57/31/939265731.db2.gz UMZZOLKTXHUIAP-AWEZNQCLSA-N -1 0 345.317 2.930 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000902086378 939284394 /nfs/dbraw/zinc/28/43/94/939284394.db2.gz FDSPJZOZJOMSDC-HXUWFJFHSA-N -1 0 336.391 2.834 20 30 EFEDRM CSc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C#N ZINC000902730779 939287328 /nfs/dbraw/zinc/28/73/28/939287328.db2.gz GJFXQOVQXBSQIK-OAHLLOKOSA-N -1 0 332.425 2.787 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000929045974 939802393 /nfs/dbraw/zinc/80/23/93/939802393.db2.gz TVYKKPPBOOJGMB-IAGOWNOFSA-N -1 0 346.427 2.873 20 30 EFEDRM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001611182692 970926822 /nfs/dbraw/zinc/92/68/22/970926822.db2.gz CFQURLBXNFSKPL-LJQANCHMSA-N -1 0 337.379 2.924 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2)cc1 ZINC001601100108 970932021 /nfs/dbraw/zinc/93/20/21/970932021.db2.gz ZTRAQZZOPJRTHP-OAHLLOKOSA-N -1 0 326.396 2.693 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)C2 ZINC001601115655 970935881 /nfs/dbraw/zinc/93/58/81/970935881.db2.gz SHNHIDKXVUQMIK-UHFFFAOYSA-N -1 0 325.299 2.943 20 30 EFEDRM N#Cc1cn(Cc2ccc(C(=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2c1=O ZINC001601129276 970940146 /nfs/dbraw/zinc/94/01/46/970940146.db2.gz VDMSTEHOFFIOEY-UHFFFAOYSA-N -1 0 349.302 2.528 20 30 EFEDRM N#Cc1sc(NC(=O)NCc2cccc(C(=O)[O-])c2)nc1Cl ZINC001601136286 970941835 /nfs/dbraw/zinc/94/18/35/970941835.db2.gz MXEAFKAYTAHNBR-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000325020572 971176359 /nfs/dbraw/zinc/17/63/59/971176359.db2.gz GCVIMOGQBQQEJF-UHFFFAOYSA-N -1 0 340.404 2.973 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001602675605 971251626 /nfs/dbraw/zinc/25/16/26/971251626.db2.gz CJACRMFMRGQAOQ-OAHLLOKOSA-N -1 0 329.396 2.806 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001602679075 971257947 /nfs/dbraw/zinc/25/79/47/971257947.db2.gz KBWAZUQCSIAQSJ-HNNXBMFYSA-N -1 0 349.386 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC001602683573 971274309 /nfs/dbraw/zinc/27/43/09/971274309.db2.gz FWBXYFREVDKEAR-QAPCUYQASA-N -1 0 328.412 2.676 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC001602683572 971274331 /nfs/dbraw/zinc/27/43/31/971274331.db2.gz FWBXYFREVDKEAR-MAUKXSAKSA-N -1 0 328.412 2.676 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC001602683963 971277832 /nfs/dbraw/zinc/27/78/32/971277832.db2.gz MWTHLMCCNYEBIG-JTQLQIEISA-N -1 0 343.210 2.826 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cccc(-c2ccccc2OCC)c1 ZINC001602692255 971300864 /nfs/dbraw/zinc/30/08/64/971300864.db2.gz IMTCZOQPXLMNPZ-UHFFFAOYSA-N -1 0 337.375 2.912 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001602695630 971310221 /nfs/dbraw/zinc/31/02/21/971310221.db2.gz MVSSJIZRCFXDMY-UHFFFAOYSA-N -1 0 344.798 2.834 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c1 ZINC001602704352 971334280 /nfs/dbraw/zinc/33/42/80/971334280.db2.gz FUQJRNMMFGLPNJ-SFHVURJKSA-N -1 0 330.384 2.807 20 30 EFEDRM C#Cc1cccc(N(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C(C)C)c1 ZINC001602707381 971343732 /nfs/dbraw/zinc/34/37/32/971343732.db2.gz SLABARNHVVPTHI-WBVHZDCISA-N -1 0 329.396 2.679 20 30 EFEDRM C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001602718995 971380680 /nfs/dbraw/zinc/38/06/80/971380680.db2.gz JKTAEMVQWYAQJF-QRHJNKNDSA-N -1 0 336.432 2.539 20 30 EFEDRM CC(C)c1ccc(CSc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001574417055 948763049 /nfs/dbraw/zinc/76/30/49/948763049.db2.gz KGEXWYLKGCYTGD-UHFFFAOYSA-N -1 0 337.412 2.944 20 30 EFEDRM CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1F ZINC001602780241 971517826 /nfs/dbraw/zinc/51/78/26/971517826.db2.gz CQGMAEOGDBJLRG-MRXNPFEDSA-N -1 0 340.782 2.877 20 30 EFEDRM CC(C)(C)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001602781694 971525634 /nfs/dbraw/zinc/52/56/34/971525634.db2.gz GBTAWEVENCLVSD-MRXNPFEDSA-N -1 0 333.344 2.835 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc3scnc3c2s1 ZINC001602782230 971528529 /nfs/dbraw/zinc/52/85/29/971528529.db2.gz QYGDWAOQEMYOKI-CQSZACIVSA-N -1 0 346.393 2.849 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC001589591010 949083419 /nfs/dbraw/zinc/08/34/19/949083419.db2.gz BSYPNXKLIJDONL-KRWDZBQOSA-N -1 0 332.425 2.754 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000092478763 949150179 /nfs/dbraw/zinc/15/01/79/949150179.db2.gz SPYIOYKSWVDVDH-UHFFFAOYSA-N -1 0 325.817 2.759 20 30 EFEDRM C[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001602800061 971572121 /nfs/dbraw/zinc/57/21/21/971572121.db2.gz CJNCUORPJZHXTO-CXAGYDPISA-N -1 0 338.363 2.667 20 30 EFEDRM N#Cc1ccc(NCC2(C(=O)[O-])CCOCC2)cc1Br ZINC000228170116 949624017 /nfs/dbraw/zinc/62/40/17/949624017.db2.gz CPFQKNKCIVWPKU-UHFFFAOYSA-N -1 0 339.189 2.614 20 30 EFEDRM CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](C)C(=O)[O-] ZINC001589711192 950328424 /nfs/dbraw/zinc/32/84/24/950328424.db2.gz URGQYHJNCBSNKJ-ZDUSSCGKSA-N -1 0 327.384 2.880 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001602830999 971656243 /nfs/dbraw/zinc/65/62/43/971656243.db2.gz HKVGQTPALYDPQX-KRWDZBQOSA-N -1 0 336.391 2.913 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCCC2(C(=O)[O-])CCC2)n1 ZINC001591171640 951080573 /nfs/dbraw/zinc/08/05/73/951080573.db2.gz SGDIBDHNODBQGP-UHFFFAOYSA-N -1 0 334.397 2.867 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000328343469 951125553 /nfs/dbraw/zinc/12/55/53/951125553.db2.gz FBOZLIUJSOLUSK-DTWKUNHWSA-N -1 0 337.173 2.760 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001592009289 951291303 /nfs/dbraw/zinc/29/13/03/951291303.db2.gz MQUGSFVGYXUXTK-UHFFFAOYSA-N -1 0 341.319 2.640 20 30 EFEDRM O=C([O-])CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC001595069450 951585816 /nfs/dbraw/zinc/58/58/16/951585816.db2.gz YPVITKYIQWKGMY-UHFFFAOYSA-N -1 0 327.302 2.876 20 30 EFEDRM O=C([O-])Cc1ccccc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001595138767 952070169 /nfs/dbraw/zinc/07/01/69/952070169.db2.gz ZODQJBCYDHLBFN-JXMROGBWSA-N -1 0 327.311 2.674 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC001589267879 953381247 /nfs/dbraw/zinc/38/12/47/953381247.db2.gz FUJYLFVNRUVHRM-ZBFHGGJFSA-N -1 0 344.411 2.677 20 30 EFEDRM CC[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001593603852 953418259 /nfs/dbraw/zinc/41/82/59/953418259.db2.gz HNHHQHGXWSIAQE-CQSZACIVSA-N -1 0 340.339 2.730 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001589298524 953669390 /nfs/dbraw/zinc/66/93/90/953669390.db2.gz ATGMYMWZSRMNAL-YPMHNXCESA-N -1 0 339.313 2.769 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001589302314 953694676 /nfs/dbraw/zinc/69/46/76/953694676.db2.gz BMELOIACGPIIAG-FZMZJTMJSA-N -1 0 339.351 2.539 20 30 EFEDRM CCn1cc(C(=O)/C=C/c2ccc(N3CCC(C(=O)[O-])CC3)o2)cn1 ZINC001593664690 953820363 /nfs/dbraw/zinc/82/03/63/953820363.db2.gz IYNABUPNMNICPY-HWKANZROSA-N -1 0 343.383 2.693 20 30 EFEDRM C[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC001589325015 953893757 /nfs/dbraw/zinc/89/37/57/953893757.db2.gz FNJUOOHCJHKUST-MLGOLLRUSA-N -1 0 332.425 2.503 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001593755342 954447664 /nfs/dbraw/zinc/44/76/64/954447664.db2.gz IHFLJJBQCCZUGV-UHFFFAOYSA-N -1 0 328.412 2.696 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001589426298 954624874 /nfs/dbraw/zinc/62/48/74/954624874.db2.gz HDAQXNBVKDOBRG-UKRRQHHQSA-N -1 0 332.400 2.731 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)C(CC)(CC)C(=O)[O-])c1 ZINC001589427068 954637764 /nfs/dbraw/zinc/63/77/64/954637764.db2.gz YMXAUURTNMZWLX-AWEZNQCLSA-N -1 0 332.400 2.875 20 30 EFEDRM CC(C)C[C@@H](C)Oc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1 ZINC001603002408 972045038 /nfs/dbraw/zinc/04/50/38/972045038.db2.gz PASPSQYKWLEZEN-ACJLOTCBSA-N -1 0 347.415 2.516 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(C)c(SCC#N)s1 ZINC001589481152 954973997 /nfs/dbraw/zinc/97/39/97/954973997.db2.gz LXBKQKJAJNBKJF-UHFFFAOYSA-N -1 0 327.431 2.897 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001589481206 954974994 /nfs/dbraw/zinc/97/49/94/954974994.db2.gz OJGHYQHJFAPHHH-UHFFFAOYSA-N -1 0 340.383 2.633 20 30 EFEDRM CCC(CC)(CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)C(=O)[O-] ZINC001589493325 955012884 /nfs/dbraw/zinc/01/28/84/955012884.db2.gz AIYWPGFMZBHTHM-HNNXBMFYSA-N -1 0 329.400 2.736 20 30 EFEDRM CC[C@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC001589538731 955185214 /nfs/dbraw/zinc/18/52/14/955185214.db2.gz ZNEIEDBTCALIII-LLVKDONJSA-N -1 0 333.388 2.968 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000386820388 972082742 /nfs/dbraw/zinc/08/27/42/972082742.db2.gz TYGYLJAPLQSUCZ-UHFFFAOYSA-N -1 0 338.212 2.936 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000819856762 955458823 /nfs/dbraw/zinc/45/88/23/955458823.db2.gz MUCRAVQSBFIEQU-KRWDZBQOSA-N -1 0 343.314 2.956 20 30 EFEDRM CC(C)(C)c1ccc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000819865194 955459481 /nfs/dbraw/zinc/45/94/81/955459481.db2.gz ITFWOXOYUUXERH-SFHVURJKSA-N -1 0 331.368 2.715 20 30 EFEDRM CCCCCCCS(=O)(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000829983585 955540455 /nfs/dbraw/zinc/54/04/55/955540455.db2.gz ZKJIUFYUDGRWNT-INIZCTEOSA-N -1 0 339.457 2.971 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC000831082384 955553359 /nfs/dbraw/zinc/55/33/59/955553359.db2.gz FNQALVJGJYONQO-PUYPPJJSSA-N -1 0 338.766 2.706 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000843319766 955627923 /nfs/dbraw/zinc/62/79/23/955627923.db2.gz UNURUFTYTHITRD-UHFFFAOYSA-N -1 0 334.347 2.556 20 30 EFEDRM C[C@@](CNC(=O)c1c[nH]c2cccc(C#N)c12)(C(=O)[O-])c1ccccc1 ZINC001589060130 955721121 /nfs/dbraw/zinc/72/11/21/955721121.db2.gz PYBXMNVPKHMOKQ-FQEVSTJZSA-N -1 0 347.374 2.812 20 30 EFEDRM C#CCOc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000846795661 955730050 /nfs/dbraw/zinc/73/00/50/955730050.db2.gz VXAXZRDBOCKGEM-VBNZEHGJSA-N -1 0 344.411 2.956 20 30 EFEDRM C=CCc1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)cc(OC)c1OC ZINC000848450473 955736935 /nfs/dbraw/zinc/73/69/35/955736935.db2.gz FALZDIDPISPAOU-AWEZNQCLSA-N -1 0 335.400 2.519 20 30 EFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001594570093 955871319 /nfs/dbraw/zinc/87/13/19/955871319.db2.gz PHDBBCJOOFTTPI-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM C[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589084477 955891949 /nfs/dbraw/zinc/89/19/49/955891949.db2.gz CYZLQNFFFQZYCI-ZWONMBSHSA-N -1 0 347.386 2.660 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001594602091 956142787 /nfs/dbraw/zinc/14/27/87/956142787.db2.gz UFVBKNRKHFWRCV-WBVHZDCISA-N -1 0 349.346 2.510 20 30 EFEDRM N#CCC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001594605433 956166933 /nfs/dbraw/zinc/16/69/33/956166933.db2.gz BSTUMQRPMLDDRS-KRWDZBQOSA-N -1 0 338.363 2.925 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001593930804 956177471 /nfs/dbraw/zinc/17/74/71/956177471.db2.gz GLLWEZWRYCLRBQ-SFHVURJKSA-N -1 0 340.335 2.779 20 30 EFEDRM N#CCCCN1C(=O)CCc2cc(N[C@H](C(=O)[O-])C3CC3)ccc21 ZINC001594609206 956191060 /nfs/dbraw/zinc/19/10/60/956191060.db2.gz VPHSQQUIRGXYMF-KRWDZBQOSA-N -1 0 327.384 2.545 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594609250 956192142 /nfs/dbraw/zinc/19/21/42/956192142.db2.gz ZFTYXJKMMGYWRT-WAYWQWQTSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCCSc1ccccc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594610494 956204403 /nfs/dbraw/zinc/20/44/03/956204403.db2.gz WYFFAFPTGQRZQI-CHWSQXEVSA-N -1 0 348.424 2.901 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001594610645 956205410 /nfs/dbraw/zinc/20/54/10/956205410.db2.gz AAMZGGWQQCKORU-UHFFFAOYSA-N -1 0 342.376 2.837 20 30 EFEDRM CO[C@](C)(C(=O)[O-])C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001593934401 956213508 /nfs/dbraw/zinc/21/35/08/956213508.db2.gz VXQBEOALBZQXNN-GOSISDBHSA-N -1 0 325.320 2.620 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C2 ZINC001594611588 956218485 /nfs/dbraw/zinc/21/84/85/956218485.db2.gz ZOKNAZIWTXZUCE-FNORWQNLSA-N -1 0 336.347 2.642 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)NCCCCCC(=O)[O-] ZINC001594613851 956226958 /nfs/dbraw/zinc/22/69/58/956226958.db2.gz DSNAGQOYDMXKBL-UHFFFAOYSA-N -1 0 339.189 2.696 20 30 EFEDRM N#Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(Cl)c([N+](=O)[O-])c1 ZINC001594616362 956239717 /nfs/dbraw/zinc/23/97/17/956239717.db2.gz RAXONYCPKBJOCV-HNNXBMFYSA-N -1 0 349.730 2.869 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)ccn1 ZINC001594617049 956244627 /nfs/dbraw/zinc/24/46/27/956244627.db2.gz BHMUIOIZFPHZPA-UHFFFAOYSA-N -1 0 343.364 2.502 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)ccn1 ZINC001594617619 956251932 /nfs/dbraw/zinc/25/19/32/956251932.db2.gz QZZPLNIHSVHROZ-UHFFFAOYSA-N -1 0 325.324 2.939 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)nc1 ZINC001594617858 956256605 /nfs/dbraw/zinc/25/66/05/956256605.db2.gz MYOASJADZPTRFY-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001594618651 956265412 /nfs/dbraw/zinc/26/54/12/956265412.db2.gz VGNIWSIEHPZAOF-SJORKVTESA-N -1 0 341.411 2.701 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC001594619614 956269411 /nfs/dbraw/zinc/26/94/11/956269411.db2.gz KTGRFQSKDMQXPX-UHFFFAOYSA-N -1 0 349.818 2.727 20 30 EFEDRM N#Cc1ccc(Cc2csc(C3(C(=O)[O-])CCOCC3)n2)cc1 ZINC001594619565 956269949 /nfs/dbraw/zinc/26/99/49/956269949.db2.gz IANCIMZRCSOQCI-UHFFFAOYSA-N -1 0 328.393 2.738 20 30 EFEDRM N#Cc1ccc(CSCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001594619676 956270948 /nfs/dbraw/zinc/27/09/48/956270948.db2.gz MKKRIWNSYPHLLJ-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])s2)cc1 ZINC001594619944 956271777 /nfs/dbraw/zinc/27/17/77/956271777.db2.gz TXRCUUJMRKBSNT-UONOGXRCSA-N -1 0 341.392 2.655 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594620008 956273644 /nfs/dbraw/zinc/27/36/44/956273644.db2.gz WIIVKKCAAHEHKB-JKSUJKDBSA-N -1 0 338.338 2.638 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1Cl ZINC001594620908 956280997 /nfs/dbraw/zinc/28/09/97/956280997.db2.gz VJDSIFBCKUIPLS-ARJAWSKDSA-N -1 0 330.727 2.832 20 30 EFEDRM N#Cc1ccc(N2CC[C@H](Nc3cccc(CCC(=O)[O-])c3)C2=O)cc1 ZINC001594621485 956286286 /nfs/dbraw/zinc/28/62/86/956286286.db2.gz MPKAXCLIRORUIY-SFHVURJKSA-N -1 0 349.390 2.793 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)c2)cc1 ZINC001594624310 956304014 /nfs/dbraw/zinc/30/40/14/956304014.db2.gz ZBIHKONKSLOZII-UHFFFAOYSA-N -1 0 347.334 2.975 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)n2)c1 ZINC001594625171 956307577 /nfs/dbraw/zinc/30/75/77/956307577.db2.gz FQKJTAQJKOGQQJ-UHFFFAOYSA-N -1 0 332.319 2.694 20 30 EFEDRM N#Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C(F)(F)F)c1 ZINC001594625649 956311444 /nfs/dbraw/zinc/31/14/44/956311444.db2.gz MWZAKBIVMNMMQN-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594626735 956320384 /nfs/dbraw/zinc/32/03/84/956320384.db2.gz GLBNUVLWNXJMLM-QGZVFWFLSA-N -1 0 335.363 2.743 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n2)c1 ZINC001594627044 956320768 /nfs/dbraw/zinc/32/07/68/956320768.db2.gz KVFAVAUQSCJSIX-VXGBXAGGSA-N -1 0 327.365 2.731 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594627100 956320804 /nfs/dbraw/zinc/32/08/04/956320804.db2.gz LZXMLKXSWFSSGU-DYVFJYSZSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001594628292 956329010 /nfs/dbraw/zinc/32/90/10/956329010.db2.gz ITUOABDGWRQJFH-UHFFFAOYSA-N -1 0 339.351 2.839 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001594628559 956332177 /nfs/dbraw/zinc/33/21/77/956332177.db2.gz CKTVZEMKROJOGS-KRWDZBQOSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594628640 956333247 /nfs/dbraw/zinc/33/32/47/956333247.db2.gz HQEABTPGPWWLFR-IXDOHACOSA-N -1 0 326.396 2.908 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594631820 956347320 /nfs/dbraw/zinc/34/73/20/956347320.db2.gz LEZVYRXOKQHKLX-UHFFFAOYSA-N -1 0 340.404 2.920 20 30 EFEDRM COCC[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001593990900 956843924 /nfs/dbraw/zinc/84/39/24/956843924.db2.gz JTCBGMOLLDPNTH-FZKQIMNGSA-N -1 0 330.384 2.548 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001603127778 972221590 /nfs/dbraw/zinc/22/15/90/972221590.db2.gz ZTPKWEUCTJTMAL-ZDUSSCGKSA-N -1 0 338.363 2.730 20 30 EFEDRM COc1c(O)cccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000011298492 956890001 /nfs/dbraw/zinc/89/00/01/956890001.db2.gz ULHKRPSJFUQPLL-JXMROGBWSA-N -1 0 328.320 2.760 20 30 EFEDRM N#CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CCCC1 ZINC000904196149 956924116 /nfs/dbraw/zinc/92/41/16/956924116.db2.gz VCTHGDNIQDKSJJ-UHFFFAOYSA-N -1 0 331.416 2.849 20 30 EFEDRM C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013346934 957034401 /nfs/dbraw/zinc/03/44/01/957034401.db2.gz BMYWQRNCCUQMDZ-UHFFFAOYSA-N -1 0 346.412 2.510 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000390293612 972273647 /nfs/dbraw/zinc/27/36/47/972273647.db2.gz XRFLVAQMVNJYCZ-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594274153 957703423 /nfs/dbraw/zinc/70/34/23/957703423.db2.gz UCBWZLYTJQWSIE-ZWKOTPCHSA-N -1 0 334.375 2.807 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccncc1 ZINC001335501100 957816840 /nfs/dbraw/zinc/81/68/40/957816840.db2.gz RJKMRHYPHXBJMG-CRAIPNDOSA-N -1 0 331.416 2.985 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594049131 957962990 /nfs/dbraw/zinc/96/29/90/957962990.db2.gz DTXKHAUHXVREEP-HNNXBMFYSA-N -1 0 343.314 2.653 20 30 EFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001594050047 957971330 /nfs/dbraw/zinc/97/13/30/957971330.db2.gz MRWZYOSPNLFRMM-UHFFFAOYSA-N -1 0 332.699 2.533 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1F ZINC001588385571 957971979 /nfs/dbraw/zinc/97/19/79/957971979.db2.gz GYJHXKIAFFDFPT-CYBMUJFWSA-N -1 0 332.718 2.677 20 30 EFEDRM C#CCCCCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001588390688 958012275 /nfs/dbraw/zinc/01/22/75/958012275.db2.gz BHAYYEDHPMYTSR-UHFFFAOYSA-N -1 0 331.397 2.979 20 30 EFEDRM Cc1cc(F)ccc1N(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594311165 958022364 /nfs/dbraw/zinc/02/23/64/958022364.db2.gz OHDDISAHLMCBSZ-DAXSKMNVSA-N -1 0 328.299 2.995 20 30 EFEDRM Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001594317671 958086637 /nfs/dbraw/zinc/08/66/37/958086637.db2.gz OSYNSECPHBZYEU-FZMZJTMJSA-N -1 0 344.415 2.507 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC001588408705 958116053 /nfs/dbraw/zinc/11/60/53/958116053.db2.gz ZNYUOUYXRQYZID-UHFFFAOYSA-N -1 0 328.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC001588410484 958138950 /nfs/dbraw/zinc/13/89/50/958138950.db2.gz VVDPRFNHJVVFJD-OAHLLOKOSA-N -1 0 342.420 2.761 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)nn1CCC#N ZINC001594323752 958146023 /nfs/dbraw/zinc/14/60/23/958146023.db2.gz UVHBNHYYYCBVCC-UHFFFAOYSA-N -1 0 331.307 2.587 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC001588412710 958153507 /nfs/dbraw/zinc/15/35/07/958153507.db2.gz ICKAYWGJVMCVRA-UHFFFAOYSA-N -1 0 329.356 2.677 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC001588415861 958159474 /nfs/dbraw/zinc/15/94/74/958159474.db2.gz BMLIYFKXCREPER-UHFFFAOYSA-N -1 0 329.302 2.792 20 30 EFEDRM C[C@@](NC(=O)C(=O)/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001603211435 972326421 /nfs/dbraw/zinc/32/64/21/972326421.db2.gz ZPZHOQGQGWCPKH-ADYPVZHUSA-N -1 0 341.338 2.524 20 30 EFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594327975 958189230 /nfs/dbraw/zinc/18/92/30/958189230.db2.gz BPWIPKYCVHLTGV-LLVKDONJSA-N -1 0 325.324 2.713 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cccc(Br)c1OC(F)F ZINC001588424086 958211644 /nfs/dbraw/zinc/21/16/44/958211644.db2.gz JLJKOYGGVNDBOM-UHFFFAOYSA-N -1 0 348.143 2.570 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001588424265 958213079 /nfs/dbraw/zinc/21/30/79/958213079.db2.gz MSMSXQMSKMMPIG-UHFFFAOYSA-N -1 0 329.787 2.625 20 30 EFEDRM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603218598 972333542 /nfs/dbraw/zinc/33/35/42/972333542.db2.gz FJDYPRXLKUDKAO-VBNZEHGJSA-N -1 0 340.423 2.841 20 30 EFEDRM C#CCN(CCOc1ccc(Oc2ccccc2)cc1)CC(=O)[O-] ZINC001588432229 958278338 /nfs/dbraw/zinc/27/83/38/958278338.db2.gz FZIHCHGWKHDCGT-UHFFFAOYSA-N -1 0 325.364 2.878 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001588432981 958290082 /nfs/dbraw/zinc/29/00/82/958290082.db2.gz IYEQZMKIRSEOOT-AWEZNQCLSA-N -1 0 334.375 2.747 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001588433185 958292936 /nfs/dbraw/zinc/29/29/36/958292936.db2.gz MDMXOKHGOIYLEN-IDHHARJASA-N -1 0 328.412 2.520 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001588433552 958298705 /nfs/dbraw/zinc/29/87/05/958298705.db2.gz OXWPCUIWUMZMIW-SFHVURJKSA-N -1 0 330.384 2.807 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588457446 958450953 /nfs/dbraw/zinc/45/09/53/958450953.db2.gz ABSOWEBUDIQVBC-STQMWFEESA-N -1 0 334.420 2.959 20 30 EFEDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000391601256 972349180 /nfs/dbraw/zinc/34/91/80/972349180.db2.gz UGMGDSXOQMCVDW-QMMMGPOBSA-N -1 0 347.186 2.980 20 30 EFEDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000391601254 972349340 /nfs/dbraw/zinc/34/93/40/972349340.db2.gz UGMGDSXOQMCVDW-MRVPVSSYSA-N -1 0 347.186 2.980 20 30 EFEDRM C=CCC[C@@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001588458816 958465660 /nfs/dbraw/zinc/46/56/60/958465660.db2.gz UCRDYCJIIGKGSS-RHSMWYFYSA-N -1 0 341.411 2.663 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001573319350 958471445 /nfs/dbraw/zinc/47/14/45/958471445.db2.gz BQPGIBFGDAGYRY-UHFFFAOYSA-N -1 0 325.389 2.674 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001573319545 958473845 /nfs/dbraw/zinc/47/38/45/958473845.db2.gz YBPMVLOAEVKBIM-STQMWFEESA-N -1 0 326.179 2.643 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001588460421 958474454 /nfs/dbraw/zinc/47/44/54/958474454.db2.gz GFDTVFYEHYATLC-UHFFFAOYSA-N -1 0 339.457 2.975 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001573328046 958494789 /nfs/dbraw/zinc/49/47/89/958494789.db2.gz ZQBOMLBEIOJNKE-NEPJUHHUSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001573328050 958494825 /nfs/dbraw/zinc/49/48/25/958494825.db2.gz ZQBOMLBEIOJNKE-VXGBXAGGSA-N -1 0 334.347 2.555 20 30 EFEDRM C=CCCC(=O)Nc1ccc(COC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC001573328399 958497949 /nfs/dbraw/zinc/49/79/49/958497949.db2.gz HIHIUKMBRBZPMA-KZULUSFZSA-N -1 0 331.368 2.745 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001588465356 958501208 /nfs/dbraw/zinc/50/12/08/958501208.db2.gz FFYFDLCNXGDXFI-UHFFFAOYSA-N -1 0 338.363 2.861 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001588466288 958508943 /nfs/dbraw/zinc/50/89/43/958508943.db2.gz HWILSKMTJHEQKL-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(COC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588469557 958516820 /nfs/dbraw/zinc/51/68/20/958516820.db2.gz KCTDJORSSZHAHO-HOCLYGCPSA-N -1 0 334.368 2.565 20 30 EFEDRM C=CCOc1ccc(COC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001588469552 958516894 /nfs/dbraw/zinc/51/68/94/958516894.db2.gz KCTDJORSSZHAHO-GDBMZVCRSA-N -1 0 334.368 2.565 20 30 EFEDRM C=CCOCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001573337001 958521836 /nfs/dbraw/zinc/52/18/36/958521836.db2.gz INVGVGJXZZOVDC-RKDXNWHRSA-N -1 0 325.386 2.610 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588470756 958530663 /nfs/dbraw/zinc/53/06/63/958530663.db2.gz UVFJFEREOVOPRX-GFCCVEGCSA-N -1 0 334.326 2.590 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588470757 958530872 /nfs/dbraw/zinc/53/08/72/958530872.db2.gz UVFJFEREOVOPRX-LBPRGKRZSA-N -1 0 334.326 2.590 20 30 EFEDRM C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588472058 958538296 /nfs/dbraw/zinc/53/82/96/958538296.db2.gz IXQYGZZDVKFSIU-UHFFFAOYSA-N -1 0 340.427 2.664 20 30 EFEDRM C=CCn1c(SCC(=O)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC001588471922 958539095 /nfs/dbraw/zinc/53/90/95/958539095.db2.gz GJYLTDYKQFGCPH-UHFFFAOYSA-N -1 0 337.788 2.530 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588473030 958549537 /nfs/dbraw/zinc/54/95/37/958549537.db2.gz WHRJBVWYJOMLBW-AGIUHOORSA-N -1 0 336.461 2.579 20 30 EFEDRM C=CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1cnccn1 ZINC001588474651 958557215 /nfs/dbraw/zinc/55/72/15/958557215.db2.gz MAFJDXFZYNCTEC-UHFFFAOYSA-N -1 0 345.428 2.658 20 30 EFEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588479150 958578784 /nfs/dbraw/zinc/57/87/84/958578784.db2.gz ZOPBYAKGKFVNMX-CQSZACIVSA-N -1 0 346.383 2.630 20 30 EFEDRM C[C@](NC(=O)c1[nH]c2ccccc2c1C#N)(C(=O)[O-])c1ccccc1 ZINC001603234690 972365916 /nfs/dbraw/zinc/36/59/16/972365916.db2.gz UBYDSFZWLPOOHM-LJQANCHMSA-N -1 0 333.347 2.769 20 30 EFEDRM Cc1cccc(-c2nnc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o2)c1 ZINC001594386067 958669984 /nfs/dbraw/zinc/66/99/84/958669984.db2.gz PYRLEARIZGDKMF-GTNSWQLSSA-N -1 0 343.339 2.654 20 30 EFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001573389977 958689558 /nfs/dbraw/zinc/68/95/58/958689558.db2.gz HAKYQRTWPWQQIR-CYBMUJFWSA-N -1 0 341.329 2.920 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1C#N ZINC001594395262 958765508 /nfs/dbraw/zinc/76/55/08/958765508.db2.gz YRDGFMZLZGYTRM-GFCCVEGCSA-N -1 0 330.369 2.579 20 30 EFEDRM Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1Br ZINC001594405356 958901733 /nfs/dbraw/zinc/90/17/33/958901733.db2.gz GOPXPTFRLJDIAM-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC001588538894 958946523 /nfs/dbraw/zinc/94/65/23/958946523.db2.gz QACXVYIVPBQYJC-OTYXRUKQSA-N -1 0 326.805 2.900 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(C#N)cc1C(F)(F)F ZINC001588539883 958953455 /nfs/dbraw/zinc/95/34/55/958953455.db2.gz DHCKONMFIHHEAL-CQSZACIVSA-N -1 0 340.257 2.625 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC001588542138 958968848 /nfs/dbraw/zinc/96/88/48/958968848.db2.gz SLMQDZIVMHOKRB-INIZCTEOSA-N -1 0 347.371 2.570 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588542880 958973992 /nfs/dbraw/zinc/97/39/92/958973992.db2.gz FLIOFCUEKKFIRH-IJLUTSLNSA-N -1 0 333.413 2.923 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588542891 958974616 /nfs/dbraw/zinc/97/46/16/958974616.db2.gz FLIOFCUEKKFIRH-SRVKXCTJSA-N -1 0 333.413 2.923 20 30 EFEDRM C[C@H](C#N)C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588544032 958986634 /nfs/dbraw/zinc/98/66/34/958986634.db2.gz XZZJJGITOVXFJM-PSASIEDQSA-N -1 0 337.173 2.514 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001573489246 958994528 /nfs/dbraw/zinc/99/45/28/958994528.db2.gz BUDWYNIHQTWIAY-AWEZNQCLSA-N -1 0 346.774 2.693 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000149871946 959029052 /nfs/dbraw/zinc/02/90/52/959029052.db2.gz LVXXMXONQHABOQ-AWEZNQCLSA-N -1 0 346.180 2.809 20 30 EFEDRM CC(C)C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)C(=O)[O-] ZINC001573529022 959155879 /nfs/dbraw/zinc/15/58/79/959155879.db2.gz GZFFSCKOTIXROJ-CQSZACIVSA-N -1 0 333.388 2.966 20 30 EFEDRM CSc1nc(C2CC2)cc(-c2nc([C@@H](C)C(=O)[O-])no2)c1C#N ZINC001594196765 959200384 /nfs/dbraw/zinc/20/03/84/959200384.db2.gz BQYWKQUEUQAEAZ-SSDOTTSWSA-N -1 0 330.369 2.791 20 30 EFEDRM C[C@@H](C(=O)[O-])N(C(=O)C1(c2ccc(C#N)cc2)CCCC1)C1CC1 ZINC001588581886 959265267 /nfs/dbraw/zinc/26/52/67/959265267.db2.gz DZGPLCMAEWDAIL-ZDUSSCGKSA-N -1 0 326.396 2.834 20 30 EFEDRM C[C@@](CNC(=O)C1(c2ccc(C#N)cc2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573591047 959392669 /nfs/dbraw/zinc/39/26/69/959392669.db2.gz BEOBFDQBEZJAJH-FQEVSTJZSA-N -1 0 348.402 2.749 20 30 EFEDRM C[C@](CNC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001573591886 959402923 /nfs/dbraw/zinc/40/29/23/959402923.db2.gz NXTWMXMSXRVFEP-YVNCXZRQSA-N -1 0 334.375 2.730 20 30 EFEDRM C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001573599362 959420130 /nfs/dbraw/zinc/42/01/30/959420130.db2.gz CKAVXEIIUAXJGG-LLVKDONJSA-N -1 0 340.339 2.588 20 30 EFEDRM C[C@@H](C(=O)[O-])c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC001588602131 959433789 /nfs/dbraw/zinc/43/37/89/959433789.db2.gz FAMKNBVKMAGNFK-SNVBAGLBSA-N -1 0 339.307 2.968 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001573608120 959464193 /nfs/dbraw/zinc/46/41/93/959464193.db2.gz MTGMZIIQFKPBII-LIRRHRJNSA-N -1 0 348.402 2.947 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594486011 959662608 /nfs/dbraw/zinc/66/26/08/959662608.db2.gz KROIAWDFICJZNM-UHFFFAOYSA-N -1 0 340.383 2.683 20 30 EFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001588639792 959677737 /nfs/dbraw/zinc/67/77/37/959677737.db2.gz FDCBDTVHLDSUAL-AWEZNQCLSA-N -1 0 344.346 2.568 20 30 EFEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@H](C)C(=O)[O-] ZINC001594262965 959715391 /nfs/dbraw/zinc/71/53/91/959715391.db2.gz ONIDIUKPLGKOHN-VIFPVBQESA-N -1 0 326.805 2.932 20 30 EFEDRM Cc1c(NC(=O)C2(C(=O)[O-])CCC2)ccc(Br)c1C#N ZINC001594264277 959731005 /nfs/dbraw/zinc/73/10/05/959731005.db2.gz HDLBVWIVTRPUML-UHFFFAOYSA-N -1 0 337.173 2.823 20 30 EFEDRM CC(C)(C)CC[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588645497 959732756 /nfs/dbraw/zinc/73/27/56/959732756.db2.gz OVTJOHOGBWNJRK-HZPDHXFCSA-N -1 0 341.411 2.636 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001588645495 959733007 /nfs/dbraw/zinc/73/30/07/959733007.db2.gz OVTJOHOGBWNJRK-CVEARBPZSA-N -1 0 341.411 2.636 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC001588645479 959733389 /nfs/dbraw/zinc/73/33/89/959733389.db2.gz OQCMVHDZJGYBJV-HNNXBMFYSA-N -1 0 328.412 2.986 20 30 EFEDRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc(OCC#N)c1)C(=O)[O-] ZINC001588650205 959757715 /nfs/dbraw/zinc/75/77/15/959757715.db2.gz CCTWRTBPOQIEGP-AWEZNQCLSA-N -1 0 333.388 2.990 20 30 EFEDRM CC(C)(C)CCOc1cnccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001588651642 959773047 /nfs/dbraw/zinc/77/30/47/959773047.db2.gz LZRUHEVFYFOZIF-SFHVURJKSA-N -1 0 347.415 2.517 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000230011800 960106716 /nfs/dbraw/zinc/10/67/16/960106716.db2.gz IPIZHICJJQYCCY-QMMMGPOBSA-N -1 0 325.162 2.681 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1C#N ZINC001574258190 960555439 /nfs/dbraw/zinc/55/54/39/960555439.db2.gz YMCPSOCPZCVWBJ-MFKMUULPSA-N -1 0 345.424 2.536 20 30 EFEDRM N#CC1(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC001188328675 960555551 /nfs/dbraw/zinc/55/55/51/960555551.db2.gz PHEAYZSIGSLEOS-UHFFFAOYSA-N -1 0 342.804 2.543 20 30 EFEDRM N#Cc1ccccc1N1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231455759 960606226 /nfs/dbraw/zinc/60/62/26/960606226.db2.gz CXSXRWUMSFBFHK-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM CCCOc1ccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1OC ZINC001573860598 961171213 /nfs/dbraw/zinc/17/12/13/961171213.db2.gz VNZXVZYPJYZEIJ-KZULUSFZSA-N -1 0 348.399 2.666 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588794763 961370013 /nfs/dbraw/zinc/37/00/13/961370013.db2.gz KZIVMGSGEHQMIC-HNNXBMFYSA-N -1 0 344.411 2.819 20 30 EFEDRM Cn1cc(-c2csc(NC(=O)c3coc(C#N)c3)c2C(=O)[O-])cn1 ZINC001574448708 961458674 /nfs/dbraw/zinc/45/86/74/961458674.db2.gz CRQIYBNABWAADI-UHFFFAOYSA-N -1 0 342.336 2.564 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574474943 961643622 /nfs/dbraw/zinc/64/36/22/961643622.db2.gz SIDMIVUTEMTPGJ-LPHOPBHVSA-N -1 0 348.402 2.970 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001574479461 961650145 /nfs/dbraw/zinc/65/01/45/961650145.db2.gz ILRULGJZAFQUKC-INIZCTEOSA-N -1 0 329.400 2.682 20 30 EFEDRM N#CCc1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001574479466 961650454 /nfs/dbraw/zinc/65/04/54/961650454.db2.gz ILRULGJZAFQUKC-MRXNPFEDSA-N -1 0 329.400 2.682 20 30 EFEDRM N#Cc1ccc(CSCC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001574488511 961695919 /nfs/dbraw/zinc/69/59/19/961695919.db2.gz QNJPICOYVKZAPO-UHFFFAOYSA-N -1 0 340.404 2.806 20 30 EFEDRM N#Cc1ccccc1N(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C1CCC1 ZINC001574490242 961713315 /nfs/dbraw/zinc/71/33/15/961713315.db2.gz YDTWERJYNPXKSI-GOEBONIOSA-N -1 0 342.395 2.714 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588835499 961764020 /nfs/dbraw/zinc/76/40/20/961764020.db2.gz JZRXCRGAGVACKP-UNEWFSDZSA-N -1 0 344.411 2.531 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001573991290 961830442 /nfs/dbraw/zinc/83/04/42/961830442.db2.gz GNFVSGNGCBBLNN-QGZVFWFLSA-N -1 0 349.390 2.843 20 30 EFEDRM CC(C)C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(=O)[O-] ZINC001588851513 961929634 /nfs/dbraw/zinc/92/96/34/961929634.db2.gz GKRMOKDKABQKIT-WBVHZDCISA-N -1 0 343.427 2.982 20 30 EFEDRM CN(Cc1ccc(NC(=O)Nc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001571167945 962014762 /nfs/dbraw/zinc/01/47/62/962014762.db2.gz OMBIUFHTCKVYTL-UHFFFAOYSA-N -1 0 325.328 2.707 20 30 EFEDRM N#Cc1sc(NC(=O)c2ccc(C(=O)[O-])cc2F)nc1Cl ZINC001571168303 962021853 /nfs/dbraw/zinc/02/18/53/962021853.db2.gz GFEUCYZAMNDFDL-UHFFFAOYSA-N -1 0 325.708 2.758 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001571173357 962070050 /nfs/dbraw/zinc/07/00/50/962070050.db2.gz RMPGBWFFQWRVMN-XOUADPBQSA-N -1 0 326.396 2.717 20 30 EFEDRM C=CC[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccncc1 ZINC001341245074 962119934 /nfs/dbraw/zinc/11/99/34/962119934.db2.gz UWIFUQITNVUYBJ-GOEBONIOSA-N -1 0 331.416 2.985 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](F)C(=O)[O-])c2)cc1 ZINC001571180043 962145220 /nfs/dbraw/zinc/14/52/20/962145220.db2.gz VJAHPQZOAMCKBT-HNNXBMFYSA-N -1 0 328.299 2.503 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(=O)[O-] ZINC001344494145 962178899 /nfs/dbraw/zinc/17/88/99/962178899.db2.gz YNIGUAJQPUSXSA-GFCCVEGCSA-N -1 0 336.775 2.515 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)CC(=O)[O-] ZINC001588887287 962180072 /nfs/dbraw/zinc/18/00/72/962180072.db2.gz CFGXAKJWEWQHFL-GPAKFWEMSA-N -1 0 335.375 2.661 20 30 EFEDRM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001571186887 962217260 /nfs/dbraw/zinc/21/72/60/962217260.db2.gz WXAVDVBIHALFEX-PWSUYJOCSA-N -1 0 329.381 2.716 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC001571215834 962495149 /nfs/dbraw/zinc/49/51/49/962495149.db2.gz AAZKATLRRIAJNM-UHFFFAOYSA-N -1 0 333.706 2.625 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001588936480 962508511 /nfs/dbraw/zinc/50/85/11/962508511.db2.gz SHQUPDAQAONEBJ-JSGCOSHPSA-N -1 0 345.399 2.920 20 30 EFEDRM C#CCCOC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001573301443 962626598 /nfs/dbraw/zinc/62/65/98/962626598.db2.gz BWVACDFJPXDHSM-JTQLQIEISA-N -1 0 346.202 2.728 20 30 EFEDRM C#CCN(C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)C ZINC001573301697 962633988 /nfs/dbraw/zinc/63/39/88/962633988.db2.gz ITJPLYPZUOEVDS-UHFFFAOYSA-N -1 0 340.383 2.754 20 30 EFEDRM C#CCCN(CCOC)Cc1cc(C(=O)[O-])ccc1Br ZINC001573301673 962634188 /nfs/dbraw/zinc/63/41/88/962634188.db2.gz IATHSSZHAJLNRA-UHFFFAOYSA-N -1 0 340.217 2.619 20 30 EFEDRM C#C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001573302249 962648578 /nfs/dbraw/zinc/64/85/78/962648578.db2.gz LKBFZUABUQYOCX-ROUUACIJSA-N -1 0 334.375 2.755 20 30 EFEDRM C#C[C@@H](C)N(C)c1nnc(C2CC2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573303127 962670388 /nfs/dbraw/zinc/67/03/88/962670388.db2.gz VMWVGQBVAGRQFK-GFCCVEGCSA-N -1 0 339.399 2.752 20 30 EFEDRM C#CCOc1ccc(C(=O)N(C)c2c(OC)cccc2C(=O)[O-])cc1 ZINC001573311538 962704985 /nfs/dbraw/zinc/70/49/85/962704985.db2.gz SLJUNRWAMDDKLU-UHFFFAOYSA-N -1 0 339.347 2.682 20 30 EFEDRM C#CCOc1cccc(OC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001573312220 962718914 /nfs/dbraw/zinc/71/89/14/962718914.db2.gz OMCUYTUGMAPTBT-FXAWDEMLSA-N -1 0 336.343 2.863 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001354080544 962722529 /nfs/dbraw/zinc/72/25/29/962722529.db2.gz INMODTNPBXRCOR-UHFFFAOYSA-N -1 0 331.372 2.974 20 30 EFEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001573319014 962745594 /nfs/dbraw/zinc/74/55/94/962745594.db2.gz TYTLHNIGOBBOMC-ZDUSSCGKSA-N -1 0 332.718 2.677 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)[O-] ZINC001573320707 962751139 /nfs/dbraw/zinc/75/11/39/962751139.db2.gz DVBSEGSWIBNUEA-CQSZACIVSA-N -1 0 333.775 2.879 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC001573320970 962753195 /nfs/dbraw/zinc/75/31/95/962753195.db2.gz HHQOSWUEFAHSCS-INIZCTEOSA-N -1 0 330.384 2.643 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)[O-] ZINC001573321240 962756620 /nfs/dbraw/zinc/75/66/20/962756620.db2.gz KRRVOKULGYTKQR-GFCCVEGCSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-])OCC ZINC001573322222 962767833 /nfs/dbraw/zinc/76/78/33/962767833.db2.gz WAQXPVVYENVMLL-GFCCVEGCSA-N -1 0 331.372 2.581 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588989496 962798399 /nfs/dbraw/zinc/79/83/99/962798399.db2.gz LIVBSZRGZVQRHP-SECBINFHSA-N -1 0 330.369 2.754 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001588989668 962799993 /nfs/dbraw/zinc/79/99/93/962799993.db2.gz PVLPXBMEYXUGQZ-SNVBAGLBSA-N -1 0 344.396 2.765 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001573332088 962824935 /nfs/dbraw/zinc/82/49/35/962824935.db2.gz ILOQIKOVOFJQAA-UHFFFAOYSA-N -1 0 341.411 2.765 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001573332620 962838277 /nfs/dbraw/zinc/83/82/77/962838277.db2.gz PNKFWWOJTZMKPX-ZDUSSCGKSA-N -1 0 325.405 2.520 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC001573332852 962844160 /nfs/dbraw/zinc/84/41/60/962844160.db2.gz TWDLLCJGIGVRRG-OAHLLOKOSA-N -1 0 333.359 2.811 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001573338759 962881145 /nfs/dbraw/zinc/88/11/45/962881145.db2.gz HVXRTGQZGYYVAU-UHFFFAOYSA-N -1 0 335.356 2.620 20 30 EFEDRM C=C(Cl)C[C@H](NCc1ccc(C(=O)[O-])c(C)c1)C(=O)OCC ZINC001573339389 962889784 /nfs/dbraw/zinc/88/97/84/962889784.db2.gz RZFCUNDREXJILB-AWEZNQCLSA-N -1 0 325.792 2.857 20 30 EFEDRM C=CC(C)(C)C(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001526745727 962895068 /nfs/dbraw/zinc/89/50/68/962895068.db2.gz OZFHSJSTSTWVNE-LBPRGKRZSA-N -1 0 340.217 2.773 20 30 EFEDRM C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573343490 962904363 /nfs/dbraw/zinc/90/43/63/962904363.db2.gz FMWUCJWKLXAIGB-ZDUSSCGKSA-N -1 0 332.791 2.609 20 30 EFEDRM C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573343486 962904434 /nfs/dbraw/zinc/90/44/34/962904434.db2.gz FMWUCJWKLXAIGB-CYBMUJFWSA-N -1 0 332.791 2.609 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001573344386 962918891 /nfs/dbraw/zinc/91/88/91/962918891.db2.gz VMVVOBCALUIZKV-UHFFFAOYSA-N -1 0 345.367 2.688 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001573352411 962986579 /nfs/dbraw/zinc/98/65/79/962986579.db2.gz BJHTYZGZSZIDJZ-XHDPSFHLSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001573353484 963002206 /nfs/dbraw/zinc/00/22/06/963002206.db2.gz WTRBFRMKFXMQSF-XHDPSFHLSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC001573356976 963012198 /nfs/dbraw/zinc/01/21/98/963012198.db2.gz HUBRQBTUDJSJIX-OAHLLOKOSA-N -1 0 330.384 2.576 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC001573366105 963058256 /nfs/dbraw/zinc/05/82/56/963058256.db2.gz JPXZXFZWXRIRSW-VXGBXAGGSA-N -1 0 339.404 2.541 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC001573367269 963064143 /nfs/dbraw/zinc/06/41/43/963064143.db2.gz TYWNUDQMZSSWKN-ZDUSSCGKSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)C(=O)[O-] ZINC001573367148 963064353 /nfs/dbraw/zinc/06/43/53/963064353.db2.gz SIPXZJUFDJVQPH-CQSZACIVSA-N -1 0 348.399 2.576 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccccc2)CC2(CCC2)C1)C(=O)[O-] ZINC001573368474 963079908 /nfs/dbraw/zinc/07/99/08/963079908.db2.gz FOKMEMWPHKPCLA-MRXNPFEDSA-N -1 0 343.423 2.661 20 30 EFEDRM N#CCc1cccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000313414651 963640238 /nfs/dbraw/zinc/64/02/38/963640238.db2.gz ZBHLVLMCVMLOFV-QGZVFWFLSA-N -1 0 335.363 2.969 20 30 EFEDRM N#CCc1cccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000313414650 963640274 /nfs/dbraw/zinc/64/02/74/963640274.db2.gz ZBHLVLMCVMLOFV-KRWDZBQOSA-N -1 0 335.363 2.969 20 30 EFEDRM C#CCCCCC(=O)N(c1nc(CC(=O)[O-])cs1)N1CCCCC1 ZINC001588440560 964041028 /nfs/dbraw/zinc/04/10/28/964041028.db2.gz ZYYGYSSKPLFOTR-UHFFFAOYSA-N -1 0 349.456 2.698 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CC)C(=O)[O-])s1 ZINC001588445919 964067079 /nfs/dbraw/zinc/06/70/79/964067079.db2.gz VVPPPMVWBZYXQQ-SECBINFHSA-N -1 0 348.877 2.818 20 30 EFEDRM C#CCCN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588447273 964084842 /nfs/dbraw/zinc/08/48/42/964084842.db2.gz FTMXCYVCUONMFT-ZDUSSCGKSA-N -1 0 326.190 2.539 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)CSc1cc(Cl)ccc1Cl ZINC000092479128 967595148 /nfs/dbraw/zinc/59/51/48/967595148.db2.gz CPVIKFGYVNBQAA-UHFFFAOYSA-N -1 0 332.208 2.632 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000232044871 967740069 /nfs/dbraw/zinc/74/00/69/967740069.db2.gz YIRFVISYGOYPEU-UHFFFAOYSA-N -1 0 339.189 2.618 20 30 EFEDRM C#CCOc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000851651809 969275932 /nfs/dbraw/zinc/27/59/32/969275932.db2.gz OPGFEGYEDVYENY-INIZCTEOSA-N -1 0 346.427 2.635 20 30 EFEDRM CSc1ccc(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C#N ZINC000898868797 969417111 /nfs/dbraw/zinc/41/71/11/969417111.db2.gz FHCHSGAQQSZZQT-UHFFFAOYSA-N -1 0 347.440 2.676 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)cc2n1 ZINC000899316597 969420030 /nfs/dbraw/zinc/42/00/30/969420030.db2.gz GQOOBUUCYPYFNS-OCCSQVGLSA-N -1 0 342.399 2.797 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)cc21 ZINC000899317477 969420259 /nfs/dbraw/zinc/42/02/59/969420259.db2.gz MQRXFYYAIQFWJF-UHFFFAOYSA-N -1 0 342.399 2.941 20 30 EFEDRM C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001609636881 970430964 /nfs/dbraw/zinc/43/09/64/970430964.db2.gz PTSFPMGFYFJUNL-CQSZACIVSA-N -1 0 341.415 2.607 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC001609692905 970451160 /nfs/dbraw/zinc/45/11/60/970451160.db2.gz DGVHVOTVGUXCGR-ZDUSSCGKSA-N -1 0 348.252 2.710 20 30 EFEDRM CN(CCCC(=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001604157563 972571129 /nfs/dbraw/zinc/57/11/29/972571129.db2.gz NIILSQNWAVTYCN-UHFFFAOYSA-N -1 0 337.379 2.810 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604180475 972603379 /nfs/dbraw/zinc/60/33/79/972603379.db2.gz LNSUBPUUKIFZNK-UHFFFAOYSA-N -1 0 328.412 2.984 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001604180864 972604633 /nfs/dbraw/zinc/60/46/33/972604633.db2.gz XZCPKXAJSXGDSO-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC000394059232 972670855 /nfs/dbraw/zinc/67/08/55/972670855.db2.gz FHNBBKRNKXHZDQ-LLVKDONJSA-N -1 0 344.592 2.617 20 30 EFEDRM Cc1c(NC(=O)C(C)(C)C(=O)[O-])ccc(Br)c1C#N ZINC001605084809 972729956 /nfs/dbraw/zinc/72/99/56/972729956.db2.gz LDPTYXQXCNHICI-UHFFFAOYSA-N -1 0 325.162 2.679 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605146252 972827558 /nfs/dbraw/zinc/82/75/58/972827558.db2.gz YLEUKVRYAWTPFA-CQSZACIVSA-N -1 0 328.290 2.635 20 30 EFEDRM C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC001603438593 973206807 /nfs/dbraw/zinc/20/68/07/973206807.db2.gz CIFWNGYTGKSLCQ-NHYWBVRUSA-N -1 0 332.375 2.544 20 30 EFEDRM CC[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC001603555131 973633211 /nfs/dbraw/zinc/63/32/11/973633211.db2.gz AUFDHSDVXYYYDC-VNQPRFMTSA-N -1 0 329.400 2.579 20 30 EFEDRM N#Cc1cc(Br)cnc1NCCCCCCCC(=O)[O-] ZINC000403073242 973659080 /nfs/dbraw/zinc/65/90/80/973659080.db2.gz CXIWHQJQONUIQF-UHFFFAOYSA-N -1 0 340.221 2.975 20 30 EFEDRM CC[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001603567021 973694062 /nfs/dbraw/zinc/69/40/62/973694062.db2.gz JXNBGZRTYURUQY-ZDUSSCGKSA-N -1 0 342.351 2.571 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001604661459 973834281 /nfs/dbraw/zinc/83/42/81/973834281.db2.gz MFIMPMRUVNUYGJ-MRXNPFEDSA-N -1 0 326.352 2.531 20 30 EFEDRM N#CC1(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCSCC1 ZINC001605577238 973856935 /nfs/dbraw/zinc/85/69/35/973856935.db2.gz YLJVPNKUKRHEQS-UHFFFAOYSA-N -1 0 330.409 2.701 20 30 EFEDRM N#CCCCOc1cccc(NC(=O)C2(CC(=O)[O-])CCOCC2)c1 ZINC001605581710 973861055 /nfs/dbraw/zinc/86/10/55/973861055.db2.gz IPEXJBQLFIPKLF-UHFFFAOYSA-N -1 0 346.383 2.579 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001605582683 973867094 /nfs/dbraw/zinc/86/70/94/973867094.db2.gz CUUBWCXZVCPLKW-QMMMGPOBSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001605585483 973875718 /nfs/dbraw/zinc/87/57/18/973875718.db2.gz CIXNSZZBDYCQAL-ZDUSSCGKSA-N -1 0 349.362 2.979 20 30 EFEDRM N#Cc1c2c(sc1NC(=O)c1ccc(C(=O)[O-])cn1)CCCC2 ZINC001605591035 973887656 /nfs/dbraw/zinc/88/76/56/973887656.db2.gz UPRAJXKEIQESPH-UHFFFAOYSA-N -1 0 327.365 2.844 20 30 EFEDRM N#Cc1cc(N2CCCC[C@H]2CC(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC001605591812 973889098 /nfs/dbraw/zinc/88/90/98/973889098.db2.gz ASTNNXHHUFSJQV-LBPRGKRZSA-N -1 0 340.339 2.848 20 30 EFEDRM N#Cc1cc(NC(=O)C2(C(=O)[O-])CCSCC2)nc2ccccc12 ZINC001605591899 973890493 /nfs/dbraw/zinc/89/04/93/973890493.db2.gz HLGASKQSJLIJNF-UHFFFAOYSA-N -1 0 341.392 2.643 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)ccn1 ZINC001605592064 973893529 /nfs/dbraw/zinc/89/35/29/973893529.db2.gz RPLDTKHUPMULIU-UHFFFAOYSA-N -1 0 335.363 2.671 20 30 EFEDRM N#CCc1ccnc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605601587 973906075 /nfs/dbraw/zinc/90/60/75/973906075.db2.gz VHCXGTJFUXJTRR-LSDHHAIUSA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001605611190 973916296 /nfs/dbraw/zinc/91/62/96/973916296.db2.gz KEYQSBPFHVBIJS-HNNXBMFYSA-N -1 0 332.425 2.647 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c3ccccc31)C2 ZINC001605612545 973926553 /nfs/dbraw/zinc/92/65/53/973926553.db2.gz PPEOKIBGZHOHJK-ZWKOTPCHSA-N -1 0 347.374 2.897 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c3ccccc31)C2 ZINC001605612541 973927017 /nfs/dbraw/zinc/92/70/17/973927017.db2.gz PPEOKIBGZHOHJK-QZTJIDSGSA-N -1 0 347.374 2.897 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001604756594 973970438 /nfs/dbraw/zinc/97/04/38/973970438.db2.gz ASIPMGGMJPXLCP-UHFFFAOYSA-N -1 0 325.324 2.587 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)SCCC(=O)[O-] ZINC001604892553 974148371 /nfs/dbraw/zinc/14/83/71/974148371.db2.gz HHFLDEJGYFOLDR-GFCCVEGCSA-N -1 0 336.413 2.538 20 30 EFEDRM CN(C(=O)CNc1cccc(CCC(=O)[O-])c1)C1(C#N)CCCCC1 ZINC001604028858 974554611 /nfs/dbraw/zinc/55/46/11/974554611.db2.gz URKYJWQTDVXNGX-UHFFFAOYSA-N -1 0 343.427 2.801 20 30 EFEDRM CC(C)OCc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591730998 975703639 /nfs/dbraw/zinc/70/36/39/975703639.db2.gz JWSGHRYSLWXKPK-UHFFFAOYSA-N -1 0 345.399 2.834 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)CC2(C#N)CCOCC2)c(C(=O)[O-])c1 ZINC001591781048 975949283 /nfs/dbraw/zinc/94/92/83/975949283.db2.gz RRWIROLEYZIVHL-UHFFFAOYSA-N -1 0 346.383 2.821 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C#N)C2)c(C(=O)[O-])c1 ZINC001591786518 975956152 /nfs/dbraw/zinc/95/61/52/975956152.db2.gz GADOIUHYADYWTG-GFCCVEGCSA-N -1 0 331.372 2.939 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1C#N ZINC001591786547 975956394 /nfs/dbraw/zinc/95/63/94/975956394.db2.gz HBIMJKCTCNUHEC-UHFFFAOYSA-N -1 0 333.388 2.968 20 30 EFEDRM N#Cc1cc(COc2cc(Br)cc(C(=O)[O-])c2)ccn1 ZINC000700758111 976970260 /nfs/dbraw/zinc/97/02/60/976970260.db2.gz MXTCFKWKTBDNSO-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM C[C@H](CC#N)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001592210170 977252460 /nfs/dbraw/zinc/25/24/60/977252460.db2.gz BCPIXUSUPVQIFR-SKDRFNHKSA-N -1 0 339.189 2.583 20 30 EFEDRM C[C@@H](CC#Cc1cccnc1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001592211198 977260309 /nfs/dbraw/zinc/26/03/09/977260309.db2.gz JTBMJHWBEXHOFO-AWEZNQCLSA-N -1 0 339.347 2.532 20 30 EFEDRM C[C@@H](CC#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001592213637 977274652 /nfs/dbraw/zinc/27/46/52/977274652.db2.gz ZEMWEFBXCIWZQV-CABZTGNLSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)[C@H](NC(=O)CNc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC001592226462 977419446 /nfs/dbraw/zinc/41/94/46/977419446.db2.gz YLPBYAJAUQUPQB-LRDDRELGSA-N -1 0 349.456 2.718 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1N[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001592226471 977419563 /nfs/dbraw/zinc/41/95/63/977419563.db2.gz ZAYNSGDXYQPAAF-JSGCOSHPSA-N -1 0 347.440 2.568 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001592226485 977419674 /nfs/dbraw/zinc/41/96/74/977419674.db2.gz ZIOXTBHCJNTAFW-NLRBGTRBSA-N -1 0 348.424 2.898 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ncccc1OCCCC#N)C1CC1 ZINC001592297231 977634658 /nfs/dbraw/zinc/63/46/58/977634658.db2.gz HNXIWRGUYRPMRP-QGZVFWFLSA-N -1 0 346.387 2.529 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccn1 ZINC001592298385 977646649 /nfs/dbraw/zinc/64/66/49/977646649.db2.gz ZAPQWVOSBZWZTF-YRNRMSPPSA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccn1 ZINC001592298383 977646938 /nfs/dbraw/zinc/64/69/38/977646938.db2.gz ZAPQWVOSBZWZTF-RZQQEMMASA-N -1 0 349.390 2.563 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccncc1 ZINC001592299157 977651258 /nfs/dbraw/zinc/65/12/58/977651258.db2.gz ZOBVMSUMYBYAEK-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC001592303376 977656054 /nfs/dbraw/zinc/65/60/54/977656054.db2.gz BRLDCSVZVKAYTQ-LJQANCHMSA-N -1 0 349.390 2.757 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001592361758 977850312 /nfs/dbraw/zinc/85/03/12/977850312.db2.gz AMPMGTRFGXVSMA-NSHDSACASA-N -1 0 325.324 2.795 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC001592374535 977901395 /nfs/dbraw/zinc/90/13/95/977901395.db2.gz APKRAZXTFIBVIE-CABZTGNLSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@](CCF)(NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001592497922 978304578 /nfs/dbraw/zinc/30/45/78/978304578.db2.gz QGDNJFKYGXQGDY-SFHVURJKSA-N -1 0 345.374 2.878 20 30 EFEDRM C[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736545486 978342275 /nfs/dbraw/zinc/34/22/75/978342275.db2.gz QCRDJVTZPZNAPV-SNVBAGLBSA-N -1 0 328.290 2.636 20 30 EFEDRM C=CCOCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675761 978769152 /nfs/dbraw/zinc/76/91/52/978769152.db2.gz VZWCCBBADGOAFW-AWEZNQCLSA-N -1 0 325.792 2.955 20 30 EFEDRM COc1ccc(O)cc1C(C)N=Nc1ccc(C(=O)[O-])cc1OC ZINC000779785232 978784008 /nfs/dbraw/zinc/78/40/08/978784008.db2.gz UVCVZVNKOAKERN-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N=NCCc1ccc([N+](=O)[O-])cc1 ZINC000793034126 978801294 /nfs/dbraw/zinc/80/12/94/978801294.db2.gz JDUPMQBLVXWDRF-UHFFFAOYSA-N -1 0 329.312 2.942 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799111261 978836079 /nfs/dbraw/zinc/83/60/79/978836079.db2.gz FRGGSQCGFXSHFC-UHFFFAOYSA-N -1 0 344.327 2.720 20 30 EFEDRM COc1ccc(CNN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799876724 978843193 /nfs/dbraw/zinc/84/31/93/978843193.db2.gz YYQZDUOALZRRPW-UHFFFAOYSA-N -1 0 337.379 2.858 20 30 EFEDRM CCc1oc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1C(=O)OC ZINC000800815001 978847468 /nfs/dbraw/zinc/84/74/68/978847468.db2.gz IABPPUGKTYWQRR-UHFFFAOYSA-N -1 0 346.339 2.781 20 30 EFEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000812442463 978869120 /nfs/dbraw/zinc/86/91/20/978869120.db2.gz CUNTWCXPJVZUNT-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1cc(C=NNc2ccccc2C(=O)[O-])cc2c1OCCO2 ZINC000812445786 978870056 /nfs/dbraw/zinc/87/00/56/978870056.db2.gz ZNFHIAMPEBVECU-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM O=C([O-])c1cccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000814684892 978871455 /nfs/dbraw/zinc/87/14/55/978871455.db2.gz IUCSXGNHBGVFLT-UHFFFAOYSA-N -1 0 330.256 2.647 20 30 EFEDRM COc1ccc(NC(=S)NN=Cc2cccc(C(=O)[O-])c2)cc1 ZINC000814718040 978876130 /nfs/dbraw/zinc/87/61/30/978876130.db2.gz ZMCYBVZYXTZGSX-UHFFFAOYSA-N -1 0 329.381 2.714 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814721452 978876986 /nfs/dbraw/zinc/87/69/86/978876986.db2.gz FEGMKOJWVSDBQJ-MNOVXSKESA-N -1 0 335.429 2.858 20 30 EFEDRM C[C@H]1C(=NNC(=S)N[C@H]2CCCC[C@H]2C)CC[C@@H]1CC(=O)[O-] ZINC000814730638 978877965 /nfs/dbraw/zinc/87/79/65/978877965.db2.gz QTECNZYVPBOICH-LPWJVIDDSA-N -1 0 325.478 2.906 20 30 EFEDRM C[C@H]1C(=NNC(=S)NCCc2cccs2)CC[C@@H]1CC(=O)[O-] ZINC000814793527 978886017 /nfs/dbraw/zinc/88/60/17/978886017.db2.gz SMUAZDBWRUWFDD-GHMZBOCLSA-N -1 0 339.486 2.632 20 30 EFEDRM C[C@@H]1C(N=Nc2nnc(-c3ccccc3)n2C)CC[C@H]1CC(=O)[O-] ZINC000814805363 978886438 /nfs/dbraw/zinc/88/64/38/978886438.db2.gz CHYCBFAMAKCTJG-AAEUAGOBSA-N -1 0 327.388 2.771 20 30 EFEDRM COCc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)n1 ZINC000814977917 978900120 /nfs/dbraw/zinc/90/01/20/978900120.db2.gz HYEMRUZMQFTQGP-IUCAKERBSA-N -1 0 326.784 2.565 20 30 EFEDRM COCc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)n1 ZINC000814977915 978900149 /nfs/dbraw/zinc/90/01/49/978900149.db2.gz HYEMRUZMQFTQGP-BDAKNGLRSA-N -1 0 326.784 2.565 20 30 EFEDRM CC[C@H](CC#N)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595030844 979171268 /nfs/dbraw/zinc/17/12/68/979171268.db2.gz XRJHEBYRTQPGMZ-SNVBAGLBSA-N -1 0 335.429 2.545 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000833680786 979222040 /nfs/dbraw/zinc/22/20/40/979222040.db2.gz NZXPJCCGQIWXLV-UHFFFAOYSA-N -1 0 343.335 2.728 20 30 EFEDRM C[C@](CNc1ccc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592730827 979251536 /nfs/dbraw/zinc/25/15/36/979251536.db2.gz XWZSSAADSREYEM-QGZVFWFLSA-N -1 0 325.324 2.921 20 30 EFEDRM CCC(CC)(C(=O)[O-])C(=O)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC001595045226 979252539 /nfs/dbraw/zinc/25/25/39/979252539.db2.gz IFSAVHYLNAXDGG-UHFFFAOYSA-N -1 0 340.383 2.585 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000836751898 979257115 /nfs/dbraw/zinc/25/71/15/979257115.db2.gz ZQIGBHTUPLICHQ-MRXNPFEDSA-N -1 0 330.384 2.677 20 30 EFEDRM C#C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000840992661 979290849 /nfs/dbraw/zinc/29/08/49/979290849.db2.gz DAMXRBKXDGVTSA-CYBMUJFWSA-N -1 0 326.755 2.708 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@H](CC)C(=O)[O-])cc1OC ZINC000844157809 979348010 /nfs/dbraw/zinc/34/80/10/979348010.db2.gz GNFGZDPBWXCMDB-LEJCZOIISA-N -1 0 333.384 2.500 20 30 EFEDRM C=CCCSCCNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000851616724 979539822 /nfs/dbraw/zinc/53/98/22/979539822.db2.gz UPFJJKIEGXSQTP-UHFFFAOYSA-N -1 0 337.441 2.806 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000851618592 979544699 /nfs/dbraw/zinc/54/46/99/979544699.db2.gz LRBMVGNSBFMIDC-OKZBNKHCSA-N -1 0 341.407 2.804 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592833167 979568795 /nfs/dbraw/zinc/56/87/95/979568795.db2.gz CJXYHJDBNAVRNZ-RDTXWAMCSA-N -1 0 337.375 2.976 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592834746 979579419 /nfs/dbraw/zinc/57/94/19/979579419.db2.gz WEDSOZMSZYIRJD-ZDUSSCGKSA-N -1 0 349.390 2.809 20 30 EFEDRM CC[C@](CNC(=O)N1CCC(C)(C#N)CC1)(C(=O)[O-])c1ccccc1 ZINC001595146490 979620261 /nfs/dbraw/zinc/62/02/61/979620261.db2.gz FOWIANRNGKPECZ-LJQANCHMSA-N -1 0 343.427 2.754 20 30 EFEDRM CC[C@@H](CNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001595147220 979625441 /nfs/dbraw/zinc/62/54/41/979625441.db2.gz OPNXWGAWOMUVCY-JQWIXIFHSA-N -1 0 343.305 2.572 20 30 EFEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000863127223 979658523 /nfs/dbraw/zinc/65/85/23/979658523.db2.gz WIAKWJODBQKSCO-GFCCVEGCSA-N -1 0 347.415 2.968 20 30 EFEDRM CC[C@@H](CNc1c(C#N)cnc2c(OC)cc(OC)cc21)C(=O)[O-] ZINC001595172458 979741881 /nfs/dbraw/zinc/74/18/81/979741881.db2.gz FECOVHJHLBEDAL-JTQLQIEISA-N -1 0 329.356 2.646 20 30 EFEDRM CC[C@](COC)(NC(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC001595194916 979907084 /nfs/dbraw/zinc/90/70/84/979907084.db2.gz SXPNHXOMEPVFGZ-QGZVFWFLSA-N -1 0 346.408 2.691 20 30 EFEDRM O=C([O-])c1coc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000899355352 980228087 /nfs/dbraw/zinc/22/80/87/980228087.db2.gz QXUCVSQFQXWCGJ-AATRIKPKSA-N -1 0 341.363 2.835 20 30 EFEDRM C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593011054 980244908 /nfs/dbraw/zinc/24/49/08/980244908.db2.gz LZZQLRWNGMZKOZ-GFVADAIESA-N -1 0 327.365 2.604 20 30 EFEDRM C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593039548 980318754 /nfs/dbraw/zinc/31/87/54/980318754.db2.gz BHIBFKJHUILIDO-KSSFIOAISA-N -1 0 336.391 2.549 20 30 EFEDRM CCn1nnc(C)c1/C=C1\CCCc2cc(C(=O)[O-])ccc2C1=O ZINC000901528442 980356528 /nfs/dbraw/zinc/35/65/28/980356528.db2.gz XUOUOAKCXYWDJS-JLHYYAGUSA-N -1 0 325.368 2.907 20 30 EFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cc3n(n2)CCCC3)cc1)C(=O)[O-] ZINC000901562944 980383767 /nfs/dbraw/zinc/38/37/67/980383767.db2.gz HXCYJSLYDRHKKH-SZNGSJQDSA-N -1 0 340.379 2.967 20 30 EFEDRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595355245 980700560 /nfs/dbraw/zinc/70/05/60/980700560.db2.gz SJHMCEYLSUANFT-KKUMJFAQSA-N -1 0 336.432 2.577 20 30 EFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C#N)n1C ZINC001595361526 980763258 /nfs/dbraw/zinc/76/32/58/980763258.db2.gz YUWXUUQGEIKEDB-OAHLLOKOSA-N -1 0 325.368 2.575 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000903554212 980976585 /nfs/dbraw/zinc/97/65/85/980976585.db2.gz JYAVBGYYBDKRPK-UHFFFAOYSA-N -1 0 337.441 2.780 20 30 EFEDRM CC[C@@H]1C[C@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001595414124 981020091 /nfs/dbraw/zinc/02/00/91/981020091.db2.gz YWANBADVUJWSQI-SRCQZFHVSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001595532901 981373908 /nfs/dbraw/zinc/37/39/08/981373908.db2.gz OLGNUHPHLXOSEQ-UHFFFAOYSA-N -1 0 342.392 2.665 20 30 EFEDRM CC[C@@](C)(C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594777623 981769380 /nfs/dbraw/zinc/76/93/80/981769380.db2.gz CDRWAASOWLGKJD-ZDUSSCGKSA-N -1 0 325.162 2.569 20 30 EFEDRM CC[C@](C)(C#N)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594778635 981779818 /nfs/dbraw/zinc/77/98/18/981779818.db2.gz XMPBTQNTTVKWDY-CYBMUJFWSA-N -1 0 326.146 2.993 20 30 EFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC001594783481 981795482 /nfs/dbraw/zinc/79/54/82/981795482.db2.gz XRBRIWBRFMKRBN-IBGZPJMESA-N -1 0 344.411 2.623 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC001594793577 981865539 /nfs/dbraw/zinc/86/55/39/981865539.db2.gz UZBRPANTNPSYNX-QGZVFWFLSA-N -1 0 336.338 2.942 20 30 EFEDRM CCCCCCCNC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001595704318 982273581 /nfs/dbraw/zinc/27/35/81/982273581.db2.gz FMVULHSLQUYOFE-UHFFFAOYSA-N -1 0 340.464 2.748 20 30 EFEDRM CCCCCCCC[C@H](C)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001595705407 982285191 /nfs/dbraw/zinc/28/51/91/982285191.db2.gz YZPVBOMNKBGFHA-GJZGRUSLSA-N -1 0 340.464 2.517 20 30 EFEDRM CC[C@@H](C)[C@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001594901361 982355788 /nfs/dbraw/zinc/35/57/88/982355788.db2.gz FXLJBKKFSBCRKB-OTYXRUKQSA-N -1 0 340.832 2.919 20 30 EFEDRM CCCCOc1ncccc1CNc1ccc(C(=O)[O-])nc1C#N ZINC001595781047 982557530 /nfs/dbraw/zinc/55/75/30/982557530.db2.gz OAPRUSJTPMWCFO-UHFFFAOYSA-N -1 0 326.356 2.837 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001595799156 982612443 /nfs/dbraw/zinc/61/24/43/982612443.db2.gz NNEOROPEGRYUOT-UHFFFAOYSA-N -1 0 347.444 2.628 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC2(CC2)C1 ZINC000923067039 982704562 /nfs/dbraw/zinc/70/45/62/982704562.db2.gz RITANUXBSIHMTL-UHFFFAOYSA-N -1 0 328.368 2.953 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000923078262 982709784 /nfs/dbraw/zinc/70/97/84/982709784.db2.gz FQZVBPXVXFSKHB-LJQANCHMSA-N -1 0 342.395 2.526 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC2CCC1CC2 ZINC000923083663 982713760 /nfs/dbraw/zinc/71/37/60/982713760.db2.gz QVTGGMBROOIHAI-BWUWDWKUSA-N -1 0 344.386 2.830 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1F)C(=O)[O-] ZINC000923098827 982723317 /nfs/dbraw/zinc/72/33/17/982723317.db2.gz QVCXLAQQDXEHMT-JTQLQIEISA-N -1 0 332.331 2.700 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC000923103433 982726491 /nfs/dbraw/zinc/72/64/91/982726491.db2.gz GSFATWDORRVKAC-GRYCIOLGSA-N -1 0 337.338 2.802 20 30 EFEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC000923103434 982726512 /nfs/dbraw/zinc/72/65/12/982726512.db2.gz GSFATWDORRVKAC-SDDRHHMPSA-N -1 0 337.338 2.802 20 30 EFEDRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCCOc1cccc(C#N)c1 ZINC001594972445 982743498 /nfs/dbraw/zinc/74/34/98/982743498.db2.gz UZBZIIJWUOKGIJ-AWEZNQCLSA-N -1 0 332.400 2.819 20 30 EFEDRM C=CCO[C@@H]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC001118222162 982946144 /nfs/dbraw/zinc/94/61/44/982946144.db2.gz QYKCQOULXSKTBB-LLVKDONJSA-N -1 0 333.413 2.788 20 30 EFEDRM CCCOc1cccnc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595974402 983201814 /nfs/dbraw/zinc/20/18/14/983201814.db2.gz VOSNHSRZAXWWIP-INIZCTEOSA-N -1 0 340.335 2.725 20 30 EFEDRM CCCSc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1 ZINC001595988065 983242561 /nfs/dbraw/zinc/24/25/61/983242561.db2.gz XGZCDKDXANXEOP-UHFFFAOYSA-N -1 0 348.428 2.806 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001574790748 983276397 /nfs/dbraw/zinc/27/63/97/983276397.db2.gz WHSHPZXSQSKKEH-CQSZACIVSA-N -1 0 328.755 2.810 20 30 EFEDRM C#CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588367246 983297476 /nfs/dbraw/zinc/29/74/76/983297476.db2.gz MSELSIHHKCPFIJ-UHFFFAOYSA-N -1 0 343.152 2.820 20 30 EFEDRM C#CC(C)(C)N(C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588367582 983300139 /nfs/dbraw/zinc/30/01/39/983300139.db2.gz YSQDTOADGZXQAY-UHFFFAOYSA-N -1 0 331.393 2.570 20 30 EFEDRM C#C[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001588367960 983302496 /nfs/dbraw/zinc/30/24/96/983302496.db2.gz DWUURGGJBIAMRD-SSDOTTSWSA-N -1 0 343.152 2.772 20 30 EFEDRM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588368335 983305698 /nfs/dbraw/zinc/30/56/98/983305698.db2.gz KNDNQDUHVNKHBD-LLVKDONJSA-N -1 0 325.324 2.715 20 30 EFEDRM C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588369343 983313661 /nfs/dbraw/zinc/31/36/61/983313661.db2.gz IVVBECTVQSZMFD-NEPJUHHUSA-N -1 0 335.429 2.532 20 30 EFEDRM C#C[C@H](CCC)NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588369465 983314198 /nfs/dbraw/zinc/31/41/98/983314198.db2.gz MNJRBIFVBPKYLU-HZPDHXFCSA-N -1 0 328.412 2.906 20 30 EFEDRM C#C[C@@H](CC)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588369484 983314754 /nfs/dbraw/zinc/31/47/54/983314754.db2.gz NJRXXWPNFKXLSN-QMMMGPOBSA-N -1 0 325.162 2.681 20 30 EFEDRM C#C[C@H](CCC)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588370820 983322154 /nfs/dbraw/zinc/32/21/54/983322154.db2.gz NOWMOUCCONTRLM-CQSZACIVSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@@H]1CCCO1 ZINC001588373116 983336739 /nfs/dbraw/zinc/33/67/39/983336739.db2.gz ADNBKVOOQKZTKK-GJZGRUSLSA-N -1 0 348.424 2.556 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@H]1CCCO1 ZINC001588373119 983336808 /nfs/dbraw/zinc/33/68/08/983336808.db2.gz ADNBKVOOQKZTKK-LSDHHAIUSA-N -1 0 348.424 2.556 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)[C@@H]1CCCO1 ZINC001588373115 983336940 /nfs/dbraw/zinc/33/69/40/983336940.db2.gz ADNBKVOOQKZTKK-CABCVRRESA-N -1 0 348.424 2.556 20 30 EFEDRM C#C[C@H](NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C(C)(C)C ZINC001588373525 983338796 /nfs/dbraw/zinc/33/87/96/983338796.db2.gz GSMIPVKDSVTNRI-CABZTGNLSA-N -1 0 335.429 2.502 20 30 EFEDRM C#C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1Br)C(C)C ZINC001588373772 983340029 /nfs/dbraw/zinc/34/00/29/983340029.db2.gz JPSAYEZWDIKAEC-JTQLQIEISA-N -1 0 339.189 2.927 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC001588374261 983342751 /nfs/dbraw/zinc/34/27/51/983342751.db2.gz SHFNLPMNHWIJIU-CQSZACIVSA-N -1 0 332.743 2.805 20 30 EFEDRM C#C[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588375514 983345338 /nfs/dbraw/zinc/34/53/38/983345338.db2.gz AAHXIGHMHRUSDP-ZDUSSCGKSA-N -1 0 329.287 2.922 20 30 EFEDRM CCCc1c(Nc2ncc(C(=O)[O-])cn2)cnn1-c1cccc(C#N)c1 ZINC001596050822 983349880 /nfs/dbraw/zinc/34/98/80/983349880.db2.gz OHLHFGJGXFIKAJ-UHFFFAOYSA-N -1 0 348.366 2.928 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001588376525 983351782 /nfs/dbraw/zinc/35/17/82/983351782.db2.gz UPYCIMPSQCFOSP-HNNXBMFYSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001588376526 983352159 /nfs/dbraw/zinc/35/21/59/983352159.db2.gz UPYCIMPSQCFOSP-OAHLLOKOSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])c1ccccc1 ZINC001588376678 983353490 /nfs/dbraw/zinc/35/34/90/983353490.db2.gz WQBUYVMPEPOHPW-CYBMUJFWSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC001588376888 983354302 /nfs/dbraw/zinc/35/43/02/983354302.db2.gz ZKFVNNFQLWYTPF-SDQPKGBYSA-N -1 0 330.340 2.533 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(Cl)cc1F ZINC001588378531 983363090 /nfs/dbraw/zinc/36/30/90/983363090.db2.gz ZOTBYKDKGDFAAR-GFCCVEGCSA-N -1 0 334.734 2.620 20 30 EFEDRM C#CC1CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001588382701 983373679 /nfs/dbraw/zinc/37/36/79/983373679.db2.gz FCDDNAWDXDAEAP-NSHDSACASA-N -1 0 334.347 2.555 20 30 EFEDRM C#C[C@H]1CCCCN1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588382808 983374608 /nfs/dbraw/zinc/37/46/08/983374608.db2.gz TZGNSYIPTARGAM-AAEUAGOBSA-N -1 0 334.347 2.697 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588382809 983374635 /nfs/dbraw/zinc/37/46/35/983374635.db2.gz TZGNSYIPTARGAM-DGCLKSJQSA-N -1 0 334.347 2.697 20 30 EFEDRM C#C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588383238 983379169 /nfs/dbraw/zinc/37/91/69/983379169.db2.gz QGLPFRVEMATASB-GDBMZVCRSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CCC(C)(C)C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC ZINC001588383828 983384475 /nfs/dbraw/zinc/38/44/75/983384475.db2.gz MADZALBLBHQERO-UHFFFAOYSA-N -1 0 333.384 2.675 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC(C)C ZINC001588390144 983392008 /nfs/dbraw/zinc/39/20/08/983392008.db2.gz MBSGYQMRKDVNMY-RBSFLKMASA-N -1 0 332.448 2.608 20 30 EFEDRM C#CCC(CC#C)C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588390502 983394820 /nfs/dbraw/zinc/39/48/20/983394820.db2.gz WJNYWTHVHZHMLO-MJGOQNOKSA-N -1 0 337.419 2.729 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001588393511 983398876 /nfs/dbraw/zinc/39/88/76/983398876.db2.gz CKIROOORCTZAEW-OAHLLOKOSA-N -1 0 325.339 2.888 20 30 EFEDRM C#CC[C@@H](CCOC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001588393710 983399761 /nfs/dbraw/zinc/39/97/61/983399761.db2.gz JEKBNUWNASNFHU-VIFPVBQESA-N -1 0 326.736 2.787 20 30 EFEDRM C#CC[C@@H](NC(=O)C1(Sc2ccc(C)cc2)CCCC1)C(=O)[O-] ZINC001588398515 983413105 /nfs/dbraw/zinc/41/31/05/983413105.db2.gz KSRVMBROCGASIT-OAHLLOKOSA-N -1 0 331.437 2.993 20 30 EFEDRM C#CC[C@H](NC(=O)/C(C)=C/c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588398534 983413205 /nfs/dbraw/zinc/41/32/05/983413205.db2.gz KZONLVMKWVANLB-LXKVQUBZSA-N -1 0 341.285 2.581 20 30 EFEDRM CCCn1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc2ccccc21 ZINC001596108207 983433412 /nfs/dbraw/zinc/43/34/12/983433412.db2.gz SITGOJSFWGIKCU-UHFFFAOYSA-N -1 0 339.395 2.882 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(Br)c2ccccc2c1)C(=O)[O-] ZINC001588414540 983434640 /nfs/dbraw/zinc/43/46/40/983434640.db2.gz VOBWDNYUFPDGTH-AWEZNQCLSA-N -1 0 346.180 2.809 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC001588416209 983436325 /nfs/dbraw/zinc/43/63/25/983436325.db2.gz KWUBODRRGKJBEA-LLVKDONJSA-N -1 0 334.784 2.670 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC001588416469 983436772 /nfs/dbraw/zinc/43/67/72/983436772.db2.gz MTBFSBWSZCPUGC-OAHLLOKOSA-N -1 0 329.377 2.533 20 30 EFEDRM C#CC[C@H](NC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588421921 983443633 /nfs/dbraw/zinc/44/36/33/983443633.db2.gz PZQHFLQUQDVTFV-LBPRGKRZSA-N -1 0 348.811 2.594 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC001588428006 983459229 /nfs/dbraw/zinc/45/92/29/983459229.db2.gz WPPSDHDYCMKLFJ-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588434166 983469038 /nfs/dbraw/zinc/46/90/38/983469038.db2.gz HGQXBLQOTAYQQN-ZBFHGGJFSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588434163 983469041 /nfs/dbraw/zinc/46/90/41/983469041.db2.gz HGQXBLQOTAYQQN-HOCLYGCPSA-N -1 0 328.412 2.893 20 30 EFEDRM CCN(C(=O)C(=O)/C=C\c1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC001596128240 983472242 /nfs/dbraw/zinc/47/22/42/983472242.db2.gz LUWPFUXMQRHTDX-YVMONPNESA-N -1 0 348.355 2.616 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1 ZINC001588434899 983473382 /nfs/dbraw/zinc/47/33/82/983473382.db2.gz XNQYCHHZVDQGID-NEPJUHHUSA-N -1 0 334.347 2.555 20 30 EFEDRM C#CC[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC001588434951 983473516 /nfs/dbraw/zinc/47/35/16/983473516.db2.gz YHEHERNKQDANAE-LLVKDONJSA-N -1 0 349.433 2.633 20 30 EFEDRM C#CCCOC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001588456101 983481344 /nfs/dbraw/zinc/48/13/44/983481344.db2.gz ZCBABLMWNOOVPM-GFCCVEGCSA-N -1 0 340.173 2.714 20 30 EFEDRM C#CCCOc1ccc(C(=O)OCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001588458665 983483689 /nfs/dbraw/zinc/48/36/89/983483689.db2.gz RTQFDRIYWYQXOJ-UHFFFAOYSA-N -1 0 345.376 2.909 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588469294 983501292 /nfs/dbraw/zinc/50/12/92/983501292.db2.gz BVYFFRWMJJAGBR-UHFFFAOYSA-N -1 0 325.339 2.728 20 30 EFEDRM C#CCO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001588490382 983532028 /nfs/dbraw/zinc/53/20/28/983532028.db2.gz MAHFHZAEMCHOLJ-UFBFGSQYSA-N -1 0 331.151 2.701 20 30 EFEDRM CCN(C(=O)c1ccc2c(C#N)c[nH]c2c1)c1ncc(C(=O)[O-])s1 ZINC001596169548 983533693 /nfs/dbraw/zinc/53/36/93/983533693.db2.gz HHNLIPJJWYYUIO-UHFFFAOYSA-N -1 0 340.364 2.861 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001588498900 983544679 /nfs/dbraw/zinc/54/46/79/983544679.db2.gz JNESMZIHARQALF-UHFFFAOYSA-N -1 0 329.287 2.575 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001588503974 983545949 /nfs/dbraw/zinc/54/59/49/983545949.db2.gz BJWPPMZIANCQAP-SNVBAGLBSA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588504644 983548490 /nfs/dbraw/zinc/54/84/90/983548490.db2.gz GZQGARXFDVMHOX-UHFFFAOYSA-N -1 0 330.384 2.998 20 30 EFEDRM C#CCSCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588504790 983548870 /nfs/dbraw/zinc/54/88/70/983548870.db2.gz LOGHJCVNQXCZQY-AWEZNQCLSA-N -1 0 346.235 2.776 20 30 EFEDRM C#CCSCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588506249 983551278 /nfs/dbraw/zinc/55/12/78/983551278.db2.gz MGZJEIUPRUECPE-UHFFFAOYSA-N -1 0 346.177 2.591 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001588509729 983553732 /nfs/dbraw/zinc/55/37/32/983553732.db2.gz LNZXDVIJNFYDFG-UHFFFAOYSA-N -1 0 327.361 2.862 20 30 EFEDRM C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001588510526 983556021 /nfs/dbraw/zinc/55/60/21/983556021.db2.gz IQEJRRGCAQXUII-CTYIDZIISA-N -1 0 349.452 2.519 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nc1 ZINC001588510630 983556124 /nfs/dbraw/zinc/55/61/24/983556124.db2.gz GDZSMGJFMLPPKX-CQSZACIVSA-N -1 0 348.280 2.637 20 30 EFEDRM C#Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cn1 ZINC001588510885 983557600 /nfs/dbraw/zinc/55/76/00/983557600.db2.gz NSOLGEKYYDPPLW-UHFFFAOYSA-N -1 0 348.402 2.856 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001588510905 983557616 /nfs/dbraw/zinc/55/76/16/983557616.db2.gz OCYADNASYUMDRE-SFHVURJKSA-N -1 0 330.343 2.772 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001588510970 983558147 /nfs/dbraw/zinc/55/81/47/983558147.db2.gz PNYDFILZFGFCBQ-VDHUWJSZSA-N -1 0 340.423 2.688 20 30 EFEDRM C#Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC001588517935 983567075 /nfs/dbraw/zinc/56/70/75/983567075.db2.gz JXFRPVSROVVMTJ-KRWDZBQOSA-N -1 0 343.404 2.552 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC001588523647 983572804 /nfs/dbraw/zinc/57/28/04/983572804.db2.gz QJIXHDMYGYSTBU-UHFFFAOYSA-N -1 0 349.433 2.951 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001588524525 983575499 /nfs/dbraw/zinc/57/54/99/983575499.db2.gz MWBBPDRSRANOJN-BZSNNMDCSA-N -1 0 325.408 2.702 20 30 EFEDRM C#Cc1ccccc1CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001588524853 983576277 /nfs/dbraw/zinc/57/62/77/983576277.db2.gz VNVDSBCXNLCIMT-FQEVSTJZSA-N -1 0 339.366 2.552 20 30 EFEDRM C=C(Br)CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588528656 983577462 /nfs/dbraw/zinc/57/74/62/983577462.db2.gz BTNCTKYJCKJELS-GFCCVEGCSA-N -1 0 339.233 2.804 20 30 EFEDRM C#Cc1ccccc1CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001588528843 983578542 /nfs/dbraw/zinc/57/85/42/983578542.db2.gz JJPDPPIERMOQFG-LJQANCHMSA-N -1 0 335.403 2.579 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001588528852 983578593 /nfs/dbraw/zinc/57/85/93/983578593.db2.gz JWJJWWDDDMLFLO-QGZVFWFLSA-N -1 0 328.412 2.997 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)c1 ZINC001588529167 983580096 /nfs/dbraw/zinc/58/00/96/983580096.db2.gz QXSCKHLWLIAYGB-UHFFFAOYSA-N -1 0 346.289 2.657 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)OCC ZINC001588534847 983587184 /nfs/dbraw/zinc/58/71/84/983587184.db2.gz JONHREVUIBCDGB-CQSZACIVSA-N -1 0 336.344 2.911 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001588534994 983587488 /nfs/dbraw/zinc/58/74/88/983587488.db2.gz DUWGOHSCDKOZAO-NOZJJQNGSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)C(=O)[O-] ZINC001588534961 983587519 /nfs/dbraw/zinc/58/75/19/983587519.db2.gz DLBAMSHVTCNUQR-QWRGUYRKSA-N -1 0 336.363 2.569 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588535685 983590487 /nfs/dbraw/zinc/59/04/87/983590487.db2.gz KIRAYWNEXNKEJO-YOEHRIQHSA-N -1 0 332.400 2.807 20 30 EFEDRM C=C(C)[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588536270 983593098 /nfs/dbraw/zinc/59/30/98/983593098.db2.gz WSDXGIWAUACGCG-HCKVZZMMSA-N -1 0 338.354 2.944 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC001588536702 983595255 /nfs/dbraw/zinc/59/52/55/983595255.db2.gz CZGDEVSUXORKIU-CWSCBRNRSA-N -1 0 327.302 2.743 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588536858 983596258 /nfs/dbraw/zinc/59/62/58/983596258.db2.gz VAHNMXLUSJMBGX-QMCVQRASSA-N -1 0 344.411 2.977 20 30 EFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588536915 983596620 /nfs/dbraw/zinc/59/66/20/983596620.db2.gz VQJNPVPKRRDUCA-CZUORRHYSA-N -1 0 348.399 2.634 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1csc(-n2c(C)ccc2C)n1)C(=O)[O-] ZINC001588543786 983612492 /nfs/dbraw/zinc/61/24/92/983612492.db2.gz NQKCDBWISQGPSV-AWEZNQCLSA-N -1 0 347.440 2.629 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(Cc2ccncc2)c1C)C(=O)[O-] ZINC001588544209 983613742 /nfs/dbraw/zinc/61/37/42/983613742.db2.gz XNEGOYCVBXUTII-KRWDZBQOSA-N -1 0 341.411 2.697 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC001588544214 983613775 /nfs/dbraw/zinc/61/37/75/983613775.db2.gz XRFWZIFMUXDEJF-QMMMGPOBSA-N -1 0 332.219 2.968 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001588546470 983615984 /nfs/dbraw/zinc/61/59/84/983615984.db2.gz LXKOYLBSQHJVJQ-ZDUSSCGKSA-N -1 0 338.335 2.543 20 30 EFEDRM C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001588554323 983630235 /nfs/dbraw/zinc/63/02/35/983630235.db2.gz DFOUMVYHBKXHPZ-HIFRSBDPSA-N -1 0 346.431 2.570 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccccc1C(C)(C)C)C(=O)[O-] ZINC001588555707 983636539 /nfs/dbraw/zinc/63/65/39/983636539.db2.gz PQJIPYAZPNYEHO-ZDUSSCGKSA-N -1 0 325.430 2.682 20 30 EFEDRM C=C(C)CCNS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588559077 983639511 /nfs/dbraw/zinc/63/95/11/983639511.db2.gz IEUGJOJTAZDWQR-UHFFFAOYSA-N -1 0 337.319 2.648 20 30 EFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC/C=C(\C)C(=O)[O-] ZINC001588567063 983645981 /nfs/dbraw/zinc/64/59/81/983645981.db2.gz AOJQFTNXHZNEJY-MKMNVTDBSA-N -1 0 334.420 2.583 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001588567267 983646600 /nfs/dbraw/zinc/64/66/00/983646600.db2.gz IDCNKJZAQSKCGH-UHFFFAOYSA-N -1 0 343.379 2.997 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001588567780 983647861 /nfs/dbraw/zinc/64/78/61/983647861.db2.gz SCYHNWBVMOUSSS-UHFFFAOYSA-N -1 0 346.408 2.547 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001588568007 983648789 /nfs/dbraw/zinc/64/87/89/983648789.db2.gz ZHJZHSHNPCPTOD-UHFFFAOYSA-N -1 0 347.411 2.712 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC001588573589 983653174 /nfs/dbraw/zinc/65/31/74/983653174.db2.gz QJPSIGKRRCLESH-UHFFFAOYSA-N -1 0 348.399 2.787 20 30 EFEDRM C=C(C)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCCOC ZINC001588577602 983657130 /nfs/dbraw/zinc/65/71/30/983657130.db2.gz ZZTYSWHVBVAURA-UHFFFAOYSA-N -1 0 348.424 2.799 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588578384 983658047 /nfs/dbraw/zinc/65/80/47/983658047.db2.gz FUTSBVABYYFAIM-UONOGXRCSA-N -1 0 342.399 2.661 20 30 EFEDRM C=C(C)Cn1c(-c2coc(C)c2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588579317 983661170 /nfs/dbraw/zinc/66/11/70/983661170.db2.gz YXDUDTZPQFIXFV-TZMCWYRMSA-N -1 0 344.415 2.970 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588589768 983668436 /nfs/dbraw/zinc/66/84/36/983668436.db2.gz TWSVRVJQOQFDPQ-KDOFPFPSSA-N -1 0 345.447 2.953 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588589769 983668500 /nfs/dbraw/zinc/66/85/00/983668500.db2.gz TWSVRVJQOQFDPQ-KSSFIOAISA-N -1 0 345.447 2.953 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588591345 983672513 /nfs/dbraw/zinc/67/25/13/983672513.db2.gz HXJCIKSIAVJNSI-VXGBXAGGSA-N -1 0 340.374 2.668 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588591334 983672543 /nfs/dbraw/zinc/67/25/43/983672543.db2.gz HVWKDVRZPSAMLN-KFWWJZLASA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588592061 983675507 /nfs/dbraw/zinc/67/55/07/983675507.db2.gz QUNZLOPGABHIAS-KSSFIOAISA-N -1 0 330.432 2.813 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588592170 983676067 /nfs/dbraw/zinc/67/60/67/983676067.db2.gz SPUNKXGTIQSTJD-RRFJBIMHSA-N -1 0 348.447 2.643 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588592393 983677633 /nfs/dbraw/zinc/67/76/33/983677633.db2.gz XHZGIIZQBGNRLP-WBMJQRKESA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588597409 983679278 /nfs/dbraw/zinc/67/92/78/983679278.db2.gz GDDIBWNFNBKXJG-LSDHHAIUSA-N -1 0 346.475 2.990 20 30 EFEDRM C=C(C)Cn1c(CCc2ccsc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588598242 983682594 /nfs/dbraw/zinc/68/25/94/983682594.db2.gz WNLZNICWYWZBGG-AWEZNQCLSA-N -1 0 346.456 2.612 20 30 EFEDRM C=C(C)Cn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001588598852 983686529 /nfs/dbraw/zinc/68/65/29/983686529.db2.gz PZWILZIFEBLDOS-AWEZNQCLSA-N -1 0 345.447 2.737 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588599008 983687360 /nfs/dbraw/zinc/68/73/60/983687360.db2.gz DKXMPZBNHNTMCP-BARDWOONSA-N -1 0 348.447 2.641 20 30 EFEDRM C=C(CC)CNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588606037 983696070 /nfs/dbraw/zinc/69/60/70/983696070.db2.gz VGBCHHLYLNQGRN-CQSZACIVSA-N -1 0 331.416 2.571 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 ZINC001588614455 983707645 /nfs/dbraw/zinc/70/76/45/983707645.db2.gz VVQHEVWEWZHLHR-SFHVURJKSA-N -1 0 339.432 2.768 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001588614613 983708164 /nfs/dbraw/zinc/70/81/64/983708164.db2.gz YNNFXEPIMNBLEX-UHFFFAOYSA-N -1 0 339.338 2.756 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001588614910 983709100 /nfs/dbraw/zinc/70/91/00/983709100.db2.gz DOBYIUMJUPFEDX-QGZVFWFLSA-N -1 0 337.803 2.571 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC001588618838 983713324 /nfs/dbraw/zinc/71/33/24/983713324.db2.gz BNYFUAGQFZVYSR-AWEZNQCLSA-N -1 0 341.411 2.649 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC001588621665 983720075 /nfs/dbraw/zinc/72/00/75/983720075.db2.gz ICYWUOREPOYGLD-CYBMUJFWSA-N -1 0 345.317 2.930 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC001588621666 983720220 /nfs/dbraw/zinc/72/02/20/983720220.db2.gz ICYWUOREPOYGLD-ZDUSSCGKSA-N -1 0 345.317 2.930 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC001588622406 983723626 /nfs/dbraw/zinc/72/36/26/983723626.db2.gz XPYUTGSZRYFHFR-OAHLLOKOSA-N -1 0 345.395 2.597 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC001588623430 983728029 /nfs/dbraw/zinc/72/80/29/983728029.db2.gz PSYQAQQBISCPHJ-UHFFFAOYSA-N -1 0 327.327 2.659 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC001588624639 983734025 /nfs/dbraw/zinc/73/40/25/983734025.db2.gz QODCCYASSDIWCC-UHFFFAOYSA-N -1 0 334.803 2.911 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c2ccccc2sc1C(=O)OC ZINC001588629462 983737355 /nfs/dbraw/zinc/73/73/55/983737355.db2.gz BQXRZNAVQSVUAC-UHFFFAOYSA-N -1 0 347.392 2.725 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1nccn1CCCc1ccccc1 ZINC001588629932 983740264 /nfs/dbraw/zinc/74/02/64/983740264.db2.gz NMUWXRDDRZPUOG-UHFFFAOYSA-N -1 0 341.411 2.553 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC001588630098 983741125 /nfs/dbraw/zinc/74/11/25/983741125.db2.gz QTOXSOJKZZLEHB-UHFFFAOYSA-N -1 0 327.384 2.526 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC001588630051 983741395 /nfs/dbraw/zinc/74/13/95/983741395.db2.gz PQUOAOKJWVMRMP-UHFFFAOYSA-N -1 0 332.400 2.708 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC001588633463 983749599 /nfs/dbraw/zinc/74/95/99/983749599.db2.gz IFJUATKNZJAXBG-UHFFFAOYSA-N -1 0 342.317 2.924 20 30 EFEDRM CCN(CCCNc1ccc(C(=O)[O-])nc1C#N)C(=O)OC(C)(C)C ZINC001596328704 983765061 /nfs/dbraw/zinc/76/50/61/983765061.db2.gz WKLHSWDOGUYRFS-UHFFFAOYSA-N -1 0 348.403 2.710 20 30 EFEDRM C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588643558 983766597 /nfs/dbraw/zinc/76/65/97/983766597.db2.gz LAJUPKIXEYYHEQ-ZDUSSCGKSA-N -1 0 338.839 2.674 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588644103 983768444 /nfs/dbraw/zinc/76/84/44/983768444.db2.gz BOTAVVHKKXQHMP-TXEJJXNPSA-N -1 0 326.356 2.976 20 30 EFEDRM C=C1CCC(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001588649917 983770839 /nfs/dbraw/zinc/77/08/39/983770839.db2.gz LRIUGCHGOUAGKR-UHFFFAOYSA-N -1 0 345.367 2.688 20 30 EFEDRM C=C[C@@H](C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)c1ccccc1 ZINC001588663108 983793566 /nfs/dbraw/zinc/79/35/66/983793566.db2.gz BWABEBGXEWGGNQ-MRXNPFEDSA-N -1 0 348.362 2.874 20 30 EFEDRM C=C[C@H](C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC001588664325 983799350 /nfs/dbraw/zinc/79/93/50/983799350.db2.gz PMZDTTFFRHEBIQ-YVSFHVDLSA-N -1 0 331.412 2.731 20 30 EFEDRM C=CC(C)(C)CNC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588676788 983830692 /nfs/dbraw/zinc/83/06/92/983830692.db2.gz BFMJXCJDVXRBFF-BWBHSNQOSA-N -1 0 326.462 2.627 20 30 EFEDRM C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588677067 983832748 /nfs/dbraw/zinc/83/27/48/983832748.db2.gz NMYWNYKEDLONBV-UHFFFAOYSA-N -1 0 346.408 2.866 20 30 EFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001588677140 983834060 /nfs/dbraw/zinc/83/40/60/983834060.db2.gz SVMQHPIKWJXPNT-UHFFFAOYSA-N -1 0 341.429 2.664 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588682214 983843193 /nfs/dbraw/zinc/84/31/93/983843193.db2.gz IZAXKAQSVLQPCR-MRXNPFEDSA-N -1 0 336.344 2.769 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588683964 983853480 /nfs/dbraw/zinc/85/34/80/983853480.db2.gz IBBGVZUNXNCMRB-SWLSCSKDSA-N -1 0 345.317 2.665 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588686770 983866558 /nfs/dbraw/zinc/86/65/58/983866558.db2.gz DKRFRXGEOPNSKL-LLVKDONJSA-N -1 0 330.340 2.931 20 30 EFEDRM C=C[C@H](CC(=O)NCCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588690613 983875079 /nfs/dbraw/zinc/87/50/79/983875079.db2.gz FBPVFDGKGYTGRW-GFCCVEGCSA-N -1 0 330.409 2.860 20 30 EFEDRM C=C[C@@H](CC)CC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001588691354 983880305 /nfs/dbraw/zinc/88/03/05/983880305.db2.gz YVFRMWXJFSSCTL-MNOVXSKESA-N -1 0 336.363 2.569 20 30 EFEDRM C=C[C@@H](N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] ZINC001588694867 983898525 /nfs/dbraw/zinc/89/85/25/983898525.db2.gz FNPOBAQVRDQJKL-VXGBXAGGSA-N -1 0 343.210 2.718 20 30 EFEDRM C=C[C@H](OC(=O)c1cc(NC(=O)OCC)ccc1Cl)C(=O)[O-] ZINC001588713525 983949697 /nfs/dbraw/zinc/94/96/97/983949697.db2.gz XWPJRYNROQRFIQ-NSHDSACASA-N -1 0 327.720 2.704 20 30 EFEDRM C=C[C@H](Sc1nc2cc3ccccc3cc2c(=O)n1C)C(=O)[O-] ZINC001588714542 983952151 /nfs/dbraw/zinc/95/21/51/983952151.db2.gz JCKBFXMHKVISJH-AWEZNQCLSA-N -1 0 326.377 2.818 20 30 EFEDRM C=C[C@@H](Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-] ZINC001588714616 983952286 /nfs/dbraw/zinc/95/22/86/983952286.db2.gz JPKPFVURTONPED-SNVBAGLBSA-N -1 0 325.777 2.865 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001588719149 983958945 /nfs/dbraw/zinc/95/89/45/983958945.db2.gz MDZDIHDEZDUAKC-CQSZACIVSA-N -1 0 335.425 2.532 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588719570 983961463 /nfs/dbraw/zinc/96/14/63/983961463.db2.gz VQNYTWPJWJQIRZ-GFCCVEGCSA-N -1 0 332.356 2.744 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001588719572 983961550 /nfs/dbraw/zinc/96/15/50/983961550.db2.gz VQNYTWPJWJQIRZ-LBPRGKRZSA-N -1 0 332.356 2.744 20 30 EFEDRM C=CC[C@@H](C(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC001588727740 983978393 /nfs/dbraw/zinc/97/83/93/983978393.db2.gz FMXBUGOKPRGMBB-GFCCVEGCSA-N -1 0 331.397 2.854 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588736539 984026024 /nfs/dbraw/zinc/02/60/24/984026024.db2.gz NSHWJRPBHDLTSO-LSDHHAIUSA-N -1 0 344.411 2.532 20 30 EFEDRM C=CC[C@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccncc1 ZINC001588742357 984031970 /nfs/dbraw/zinc/03/19/70/984031970.db2.gz BHSLHCGLUNWXCD-LBPRGKRZSA-N -1 0 344.371 2.620 20 30 EFEDRM C=CCC(F)(F)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588742732 984033748 /nfs/dbraw/zinc/03/37/48/984033748.db2.gz KGGAVKIQMVTZOO-NWDGAFQWSA-N -1 0 345.292 2.803 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccncc1 ZINC001588743159 984036417 /nfs/dbraw/zinc/03/64/17/984036417.db2.gz RZFDCXZVBUBOMQ-QGZVFWFLSA-N -1 0 339.395 2.825 20 30 EFEDRM C=CC[C@H](OC(=O)Cc1csc(-n2c(C)ccc2C)n1)C(=O)[O-] ZINC001588753754 984088688 /nfs/dbraw/zinc/08/86/88/984088688.db2.gz MUGGKOFVQAKYAV-ZDUSSCGKSA-N -1 0 334.397 2.666 20 30 EFEDRM C=CC[C@@H](OC(=O)c1ccc(CNC(=O)C2CCCC2)cc1)C(=O)[O-] ZINC001588755692 984095155 /nfs/dbraw/zinc/09/51/55/984095155.db2.gz CKYFFEBBGXRPQG-MRXNPFEDSA-N -1 0 345.395 2.679 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc2c(C(F)F)nn(C)c2s1)C(=O)[O-] ZINC001588756075 984096729 /nfs/dbraw/zinc/09/67/29/984096729.db2.gz GTVUIQVGXZRCRQ-ZETCQYMHSA-N -1 0 330.312 2.759 20 30 EFEDRM C=CC[C@H](OC(=O)c1cc2sc(N(C)C)nc2s1)C(=O)[O-] ZINC001588757133 984101831 /nfs/dbraw/zinc/10/18/31/984101831.db2.gz WJQDHDZAZJKPBW-ZETCQYMHSA-N -1 0 326.399 2.610 20 30 EFEDRM C=CC[C@@H](Sc1ncc(CO)n1Cc1cccc(F)c1)C(=O)[O-] ZINC001588759511 984112156 /nfs/dbraw/zinc/11/21/56/984112156.db2.gz VPTGJBRWXIYKPR-CQSZACIVSA-N -1 0 336.388 2.684 20 30 EFEDRM C=CC[C@H](Sc1nnc2ccc(Br)cn21)C(=O)[O-] ZINC001588762729 984116854 /nfs/dbraw/zinc/11/68/54/984116854.db2.gz LTJRECOKXKGMMC-QMMMGPOBSA-N -1 0 328.191 2.613 20 30 EFEDRM C=CCC1(C(=O)O[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC001588764510 984122213 /nfs/dbraw/zinc/12/22/13/984122213.db2.gz CCETXWIVCJYROF-CYBMUJFWSA-N -1 0 345.395 2.679 20 30 EFEDRM C=CCC1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCOCC1 ZINC001588767129 984128346 /nfs/dbraw/zinc/12/83/46/984128346.db2.gz KNNGXLWGRUZFJR-UHFFFAOYSA-N -1 0 340.326 2.910 20 30 EFEDRM C=CCC1(CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CCCC1 ZINC001588767340 984129984 /nfs/dbraw/zinc/12/99/84/984129984.db2.gz WBABPHAOQVIMMM-UHFFFAOYSA-N -1 0 348.374 2.715 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001588769001 984131609 /nfs/dbraw/zinc/13/16/09/984131609.db2.gz JHBXRZMUKKHJJL-UHFFFAOYSA-N -1 0 332.400 2.882 20 30 EFEDRM C=CCC1(O)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001588769016 984131674 /nfs/dbraw/zinc/13/16/74/984131674.db2.gz JLUOSUJJJBEBAV-UHFFFAOYSA-N -1 0 342.395 2.943 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001588769328 984133322 /nfs/dbraw/zinc/13/33/22/984133322.db2.gz SGGNXXFVPXMVTD-AWEZNQCLSA-N -1 0 346.427 2.885 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001588769331 984133478 /nfs/dbraw/zinc/13/34/78/984133478.db2.gz SGGNXXFVPXMVTD-CQSZACIVSA-N -1 0 346.427 2.885 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588770975 984136817 /nfs/dbraw/zinc/13/68/17/984136817.db2.gz KTTJBMXNYQMYOZ-ZFWWWQNUSA-N -1 0 343.427 2.982 20 30 EFEDRM C=CCC1(c2nc(COc3cccc(C(=O)[O-])c3)no2)CCOCC1 ZINC001588771129 984137882 /nfs/dbraw/zinc/13/78/82/984137882.db2.gz OXVOAIWTCILCKX-UHFFFAOYSA-N -1 0 344.367 2.971 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588777594 984156825 /nfs/dbraw/zinc/15/68/25/984156825.db2.gz DXZHCTDMLOXURK-UHFFFAOYSA-N -1 0 348.399 2.583 20 30 EFEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001588778142 984159470 /nfs/dbraw/zinc/15/94/70/984159470.db2.gz UOPYCABKKBYPSH-UHFFFAOYSA-N -1 0 329.393 2.795 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001588781551 984167109 /nfs/dbraw/zinc/16/71/09/984167109.db2.gz BKNTWMHWLPBUOJ-JTQLQIEISA-N -1 0 344.820 2.553 20 30 EFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001588782631 984173526 /nfs/dbraw/zinc/17/35/26/984173526.db2.gz XJAXUUYZQJWYGA-ZDUSSCGKSA-N -1 0 341.404 2.572 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588782735 984174181 /nfs/dbraw/zinc/17/41/81/984174181.db2.gz LYDQHSAUNXPNQO-KDOFPFPSSA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588782732 984174184 /nfs/dbraw/zinc/17/41/84/984174184.db2.gz LYDQHSAUNXPNQO-KBXCAEBGSA-N -1 0 338.448 2.523 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001588783103 984176761 /nfs/dbraw/zinc/17/67/61/984176761.db2.gz XWXARFAWGRCLPN-OLZOCXBDSA-N -1 0 332.400 2.674 20 30 EFEDRM C=CCCC[C@@H](NC(=O)COc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588788589 984190968 /nfs/dbraw/zinc/19/09/68/984190968.db2.gz HUGKZEOMNWSEFR-CYBMUJFWSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCCC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001588788583 984191066 /nfs/dbraw/zinc/19/10/66/984191066.db2.gz HSUCYIFWBILAJA-KRWDZBQOSA-N -1 0 331.412 2.870 20 30 EFEDRM C=CCCC[C@H](NC(=O)Cc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001588788726 984192450 /nfs/dbraw/zinc/19/24/50/984192450.db2.gz LJOYBHOXVXAQLG-NSHDSACASA-N -1 0 330.306 2.569 20 30 EFEDRM C=CCCC[C@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC001588788768 984193187 /nfs/dbraw/zinc/19/31/87/984193187.db2.gz NFEJKHORBODWJK-ZDUSSCGKSA-N -1 0 329.368 2.983 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnc(Br)c(C)c1)C(=O)[O-] ZINC001588792810 984213058 /nfs/dbraw/zinc/21/30/58/984213058.db2.gz GBAHOTPLIGNEHI-NSHDSACASA-N -1 0 341.205 2.692 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(N)c(OC(F)(F)F)c1)C(=O)[O-] ZINC001588793233 984216961 /nfs/dbraw/zinc/21/69/61/984216961.db2.gz NAPJMVCXQGYJFC-NSHDSACASA-N -1 0 346.305 2.707 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(N)c(OC(F)(F)F)c1)C(=O)[O-] ZINC001588793228 984217174 /nfs/dbraw/zinc/21/71/74/984217174.db2.gz NAPJMVCXQGYJFC-LLVKDONJSA-N -1 0 346.305 2.707 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)C(=O)[O-] ZINC001588793400 984218967 /nfs/dbraw/zinc/21/89/67/984218967.db2.gz XFLUTXHIRJHQMI-AWEZNQCLSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)cc1O)C(=O)[O-] ZINC001588793414 984219021 /nfs/dbraw/zinc/21/90/21/984219021.db2.gz XLDBLEKQQATUPW-LLVKDONJSA-N -1 0 342.189 2.694 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)c2ccccc2[nH]c1=O)C(=O)[O-] ZINC001588793925 984223166 /nfs/dbraw/zinc/22/31/66/984223166.db2.gz FZJKFMZCBNZZST-CQSZACIVSA-N -1 0 328.368 2.788 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CC[C@](OC)(C(=O)[O-])C1)c1ccccc1 ZINC001588794346 984226312 /nfs/dbraw/zinc/22/63/12/984226312.db2.gz RMCKFJRZLLFLEA-QFBILLFUSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(C)onc1-c1cccnc1)C(=O)[O-] ZINC001588794360 984226328 /nfs/dbraw/zinc/22/63/28/984226328.db2.gz RRUNYDWLUNKCNQ-CYBMUJFWSA-N -1 0 329.356 2.584 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1csc(-c2ncccc2F)n1)C(=O)[O-] ZINC001588797689 984230565 /nfs/dbraw/zinc/23/05/65/984230565.db2.gz JCNWKGKINHSTEJ-NSHDSACASA-N -1 0 349.387 2.884 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ncccc1-c1ccccn1)C(=O)[O-] ZINC001588797745 984231233 /nfs/dbraw/zinc/23/12/33/984231233.db2.gz KXSBDCKKICHETM-OAHLLOKOSA-N -1 0 325.368 2.683 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncsc1Nc1cccnc1)C(=O)[O-] ZINC001588798027 984232806 /nfs/dbraw/zinc/23/28/06/984232806.db2.gz RPOIFBXRMPGCIG-LBPRGKRZSA-N -1 0 346.412 2.821 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1oc(=O)c2ccccc2c1C)C(=O)[O-] ZINC001588798118 984233446 /nfs/dbraw/zinc/23/34/46/984233446.db2.gz UIHGQOLPGBOVOR-AWEZNQCLSA-N -1 0 329.352 2.641 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ncoc1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588798148 984233846 /nfs/dbraw/zinc/23/38/46/984233846.db2.gz VPGFJYGYXFWZDL-AWEZNQCLSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cnc2c(C)cc(C)cc2c1O)C(=O)[O-] ZINC001588798165 984233997 /nfs/dbraw/zinc/23/39/97/984233997.db2.gz WIUXORIWDPETCE-OAHLLOKOSA-N -1 0 342.395 2.684 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)CCc1ccccc1Cl)C(=O)[O-] ZINC001588798301 984234866 /nfs/dbraw/zinc/23/48/66/984234866.db2.gz ZVHVAJGZQJHSGM-CQSZACIVSA-N -1 0 345.848 2.611 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)CCc1ccccc1Cl)C(=O)[O-] ZINC001588798299 984235033 /nfs/dbraw/zinc/23/50/33/984235033.db2.gz ZVHVAJGZQJHSGM-AWEZNQCLSA-N -1 0 345.848 2.611 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(-n2cccc2)cc1)C(=O)[O-] ZINC001588798692 984238297 /nfs/dbraw/zinc/23/82/97/984238297.db2.gz OOECBRXIGAVKDH-INIZCTEOSA-N -1 0 348.424 2.565 20 30 EFEDRM C=CCCCN(CC)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001588801217 984244102 /nfs/dbraw/zinc/24/41/02/984244102.db2.gz ACYNUXNWCCJVSI-UHFFFAOYSA-N -1 0 348.424 2.910 20 30 EFEDRM C=CCCCN(CC)C(=O)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001588801518 984246190 /nfs/dbraw/zinc/24/61/90/984246190.db2.gz NDEINQWZMZGURN-CYBMUJFWSA-N -1 0 332.400 2.628 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588805514 984253831 /nfs/dbraw/zinc/25/38/31/984253831.db2.gz AOAWKHFTKJFZGF-AWEZNQCLSA-N -1 0 325.430 2.724 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001596501462 984255659 /nfs/dbraw/zinc/25/56/59/984255659.db2.gz VPLXFSDAAYVXCB-XQRVVYSFSA-N -1 0 325.324 2.933 20 30 EFEDRM C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805979 984257417 /nfs/dbraw/zinc/25/74/17/984257417.db2.gz WOGAHHGTOBOSEX-AWEZNQCLSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588808925 984264254 /nfs/dbraw/zinc/26/42/54/984264254.db2.gz QEHDGKPYKJTQKG-VXGBXAGGSA-N -1 0 338.429 2.529 20 30 EFEDRM C=CCCOCCNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001588813336 984269531 /nfs/dbraw/zinc/26/95/31/984269531.db2.gz NQKHNIMBWFNZFR-UHFFFAOYSA-N -1 0 336.388 2.886 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001588814526 984270643 /nfs/dbraw/zinc/27/06/43/984270643.db2.gz BQZBHERTVOYLCT-HNAYVOBHSA-N -1 0 344.411 2.760 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(CCC)[C@H](C)C(=O)[O-])cc1 ZINC001588814606 984271420 /nfs/dbraw/zinc/27/14/20/984271420.db2.gz IAKUCQDSZAFSCY-CYBMUJFWSA-N -1 0 325.430 2.679 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588814706 984272210 /nfs/dbraw/zinc/27/22/10/984272210.db2.gz MSECJFLUFRNUKG-GOSISDBHSA-N -1 0 343.383 2.643 20 30 EFEDRM C=CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@H](C)COC ZINC001588820961 984288051 /nfs/dbraw/zinc/28/80/51/984288051.db2.gz ZUUFHEDSMAUIIB-UHOFOFEASA-N -1 0 332.400 2.930 20 30 EFEDRM C=CCN(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588822387 984289655 /nfs/dbraw/zinc/28/96/55/984289655.db2.gz JPWRRTQWSFKUML-UHFFFAOYSA-N -1 0 331.141 2.936 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=C)CCC(=O)[O-])cc1 ZINC001588825350 984299466 /nfs/dbraw/zinc/29/94/66/984299466.db2.gz LVJLRCWYGNHKBZ-UHFFFAOYSA-N -1 0 342.395 2.860 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1ccc(OCC)c(F)c1C(=O)[O-] ZINC001588826793 984306809 /nfs/dbraw/zinc/30/68/09/984306809.db2.gz XFMHJJXIBCNNKR-UHFFFAOYSA-N -1 0 335.335 2.856 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588829110 984311614 /nfs/dbraw/zinc/31/16/14/984311614.db2.gz BJBBGNRRRZOSSA-OAHLLOKOSA-N -1 0 330.384 2.566 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(OCC)c(F)c2)C(C(=O)[O-])=C1C ZINC001588836888 984331183 /nfs/dbraw/zinc/33/11/83/984331183.db2.gz MAJFIXXYZWRXCQ-HNNXBMFYSA-N -1 0 334.347 2.835 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001588845294 984361451 /nfs/dbraw/zinc/36/14/51/984361451.db2.gz DEPPZECEBRDXJL-UHFFFAOYSA-N -1 0 342.326 2.692 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001588859263 984404485 /nfs/dbraw/zinc/40/44/85/984404485.db2.gz FVGVRWBRKBYRRQ-LLVKDONJSA-N -1 0 339.800 2.940 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001588859406 984405501 /nfs/dbraw/zinc/40/55/01/984405501.db2.gz KPLGSCFOBMQKCT-MRXNPFEDSA-N -1 0 344.411 2.851 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001588859382 984405595 /nfs/dbraw/zinc/40/55/95/984405595.db2.gz JULGAXJRRGOPPC-OAHLLOKOSA-N -1 0 339.347 2.972 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001588862059 984417473 /nfs/dbraw/zinc/41/74/73/984417473.db2.gz PTVGDDYKVQQVDX-OAHLLOKOSA-N -1 0 339.347 2.972 20 30 EFEDRM C=CCOC[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC001588866466 984425594 /nfs/dbraw/zinc/42/55/94/984425594.db2.gz PWOJEIZHCGIPJA-CQSZACIVSA-N -1 0 337.322 2.970 20 30 EFEDRM C=CCOc1ccc(Br)cc1NC(=O)NCCC(=O)[O-] ZINC001588869502 984439335 /nfs/dbraw/zinc/43/93/35/984439335.db2.gz GDPQDROOOWZWBU-UHFFFAOYSA-N -1 0 343.177 2.610 20 30 EFEDRM C=CCOc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001588873685 984445237 /nfs/dbraw/zinc/44/52/37/984445237.db2.gz HEAYSYPNDXQXDD-UHFFFAOYSA-N -1 0 330.340 2.542 20 30 EFEDRM C=CCOc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001588874035 984446933 /nfs/dbraw/zinc/44/69/33/984446933.db2.gz SLGXRGATTFRHPE-QUWSVYMGSA-N -1 0 331.412 2.944 20 30 EFEDRM C=CCOc1ccc(C(=O)OCc2cccc(C(=O)[O-])n2)cc1OC ZINC001588875045 984450482 /nfs/dbraw/zinc/45/04/82/984450482.db2.gz RRJOORCNIQAURA-UHFFFAOYSA-N -1 0 343.335 2.710 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001588877211 984452177 /nfs/dbraw/zinc/45/21/77/984452177.db2.gz BZIFEENXYMXQDW-APWZRJJASA-N -1 0 344.411 2.790 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC001588881796 984460996 /nfs/dbraw/zinc/46/09/96/984460996.db2.gz FAYZFMSLGVUVBI-JRPNMDOOSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)OCC1CC1 ZINC001588882373 984462493 /nfs/dbraw/zinc/46/24/93/984462493.db2.gz PQVNXWSPTCOTBH-LLVKDONJSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCc1cc(C(=O)N(CC)C(C)(C)C(=O)[O-])cc(OC)c1OC ZINC001588882438 984463084 /nfs/dbraw/zinc/46/30/84/984463084.db2.gz SMROFFSGDOEYEE-UHFFFAOYSA-N -1 0 335.400 2.758 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCOC[C@H]1C ZINC001588882555 984464177 /nfs/dbraw/zinc/46/41/77/984464177.db2.gz YPQNHCVUTUAINI-BXUZGUMPSA-N -1 0 334.368 2.700 20 30 EFEDRM C=CCc1cc(OC)ccc1OC(=O)CCc1ocnc1C(=O)[O-] ZINC001588885194 984466395 /nfs/dbraw/zinc/46/63/95/984466395.db2.gz FZWKMLPTBJKJEX-UHFFFAOYSA-N -1 0 331.324 2.648 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588886196 984471136 /nfs/dbraw/zinc/47/11/36/984471136.db2.gz DUVQCQYFQUVXBI-UHFFFAOYSA-N -1 0 348.376 2.646 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588886751 984473442 /nfs/dbraw/zinc/47/34/42/984473442.db2.gz QGPUMAFPCWFESM-UHFFFAOYSA-N -1 0 340.328 2.922 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001588886782 984473490 /nfs/dbraw/zinc/47/34/90/984473490.db2.gz RMNBHPXDYMTKRM-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588888803 984475865 /nfs/dbraw/zinc/47/58/65/984475865.db2.gz DTXKQPGFLYDUHQ-KRWDZBQOSA-N -1 0 330.388 2.724 20 30 EFEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588888880 984476328 /nfs/dbraw/zinc/47/63/28/984476328.db2.gz HJJKINFBZAQGDC-GOSISDBHSA-N -1 0 344.390 2.697 20 30 EFEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588888886 984476420 /nfs/dbraw/zinc/47/64/20/984476420.db2.gz HPCHEXWGQNZJRU-BXUZGUMPSA-N -1 0 346.818 2.941 20 30 EFEDRM C=CCn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588889375 984478820 /nfs/dbraw/zinc/47/88/20/984478820.db2.gz SASCZNDTANGCEP-HNNXBMFYSA-N -1 0 349.394 2.590 20 30 EFEDRM C=CCn1c(-c2cc3occc3[nH]2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588889431 984479626 /nfs/dbraw/zinc/47/96/26/984479626.db2.gz UVVCCRUCGKASGO-UHFFFAOYSA-N -1 0 341.371 2.506 20 30 EFEDRM C=CCn1c(-c2cscn2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588889964 984482567 /nfs/dbraw/zinc/48/25/67/984482567.db2.gz JLNSGYYLFURVPN-UHFFFAOYSA-N -1 0 347.444 2.669 20 30 EFEDRM C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588895447 984493211 /nfs/dbraw/zinc/49/32/11/984493211.db2.gz GIJLJNKNGLVEMB-KBXCAEBGSA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895905 984497210 /nfs/dbraw/zinc/49/72/10/984497210.db2.gz NZFZHHMZRCNSHX-DYVFJYSZSA-N -1 0 331.420 2.562 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896480 984502059 /nfs/dbraw/zinc/50/20/59/984502059.db2.gz KBLYYPRTEGBMGY-ZWNOBZJWSA-N -1 0 330.388 2.824 20 30 EFEDRM C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588896887 984505647 /nfs/dbraw/zinc/50/56/47/984505647.db2.gz FWMVNUXKGISPBI-NSHDSACASA-N -1 0 346.353 2.650 20 30 EFEDRM C=CCn1c([C@H](C)CC)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588897387 984509838 /nfs/dbraw/zinc/50/98/38/984509838.db2.gz YNICELUFUZTZMM-GFCCVEGCSA-N -1 0 341.415 2.634 20 30 EFEDRM C=CCn1c(CC(F)F)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588897559 984511220 /nfs/dbraw/zinc/51/12/20/984511220.db2.gz LMHAXTKWSAEZCJ-UHFFFAOYSA-N -1 0 348.353 2.533 20 30 EFEDRM C=CCn1c(CC(C)C)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588897939 984514533 /nfs/dbraw/zinc/51/45/33/984514533.db2.gz PNWKQKYESWOAOX-UHFFFAOYSA-N -1 0 340.427 2.924 20 30 EFEDRM C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588898479 984519300 /nfs/dbraw/zinc/51/93/00/984519300.db2.gz ZMCBPICYTAEPAP-DZGCQCFKSA-N -1 0 332.448 2.744 20 30 EFEDRM C=CCn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCC=CO1 ZINC001588904120 984527019 /nfs/dbraw/zinc/52/70/19/984527019.db2.gz HYBVAMMBQBNLOK-MSOLQXFVSA-N -1 0 346.431 2.695 20 30 EFEDRM C=CCn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1C(C)(F)F ZINC001588904400 984529266 /nfs/dbraw/zinc/52/92/66/984529266.db2.gz QRTRFIJGNBDIFC-UHFFFAOYSA-N -1 0 340.330 2.812 20 30 EFEDRM C=CCn1cnnc1SCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001588909435 984544016 /nfs/dbraw/zinc/54/40/16/984544016.db2.gz TYRYWJVHUKEKAN-UHFFFAOYSA-N -1 0 342.380 2.619 20 30 EFEDRM C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588910164 984548004 /nfs/dbraw/zinc/54/80/04/984548004.db2.gz NLDIWNJYJCPUGO-ZNMIVQPWSA-N -1 0 348.447 2.785 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC(CC(=O)[O-])CC3)cc21 ZINC001588912334 984550828 /nfs/dbraw/zinc/55/08/28/984550828.db2.gz GFUYWMDDVHMVSW-UHFFFAOYSA-N -1 0 342.399 2.941 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)cc21 ZINC001588912692 984552549 /nfs/dbraw/zinc/55/25/49/984552549.db2.gz NBZYIZCGSQDRTG-IAISJRAMSA-N -1 0 340.383 2.597 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588916420 984560683 /nfs/dbraw/zinc/56/06/83/984560683.db2.gz LVKHKWYCBBNJHL-CABCVRRESA-N -1 0 327.336 2.567 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588916780 984563371 /nfs/dbraw/zinc/56/33/71/984563371.db2.gz DRHPLBOZRQZOEH-QXSJWSMHSA-N -1 0 349.814 2.558 20 30 EFEDRM CC#CCCCC(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588925446 984587124 /nfs/dbraw/zinc/58/71/24/984587124.db2.gz QJGCFRNRNOAWIM-GFCCVEGCSA-N -1 0 341.329 2.800 20 30 EFEDRM C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1Cl ZINC001599894250 984733227 /nfs/dbraw/zinc/73/32/27/984733227.db2.gz MOQFALSFGDUTHM-NSHDSACASA-N -1 0 335.791 2.801 20 30 EFEDRM C[C@H](OC(=O)COc1ccc(C#N)cc1)c1ccc(C(=O)[O-])cc1 ZINC001599904367 984904012 /nfs/dbraw/zinc/90/40/12/984904012.db2.gz JJNSMDFXFVCSGY-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM CC(=NNC(=S)NC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001589016590 984996293 /nfs/dbraw/zinc/99/62/93/984996293.db2.gz BXKTXMGIUYGECU-UHFFFAOYSA-N -1 0 349.456 2.671 20 30 EFEDRM CC(=NN[C@@H]1CCC[C@H]1O)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017095 985000460 /nfs/dbraw/zinc/00/04/60/985000460.db2.gz XHRFAMSZCYKILU-CHWSQXEVSA-N -1 0 333.413 2.530 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC001589017326 985003029 /nfs/dbraw/zinc/00/30/29/985003029.db2.gz JALUSZMJKGKHQJ-UHFFFAOYSA-N -1 0 339.330 2.941 20 30 EFEDRM CC(N=Nc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)CC(=O)N2 ZINC001589017574 985004996 /nfs/dbraw/zinc/00/49/96/985004996.db2.gz VFDCZDJJUPNLNY-UHFFFAOYSA-N -1 0 327.315 2.855 20 30 EFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc(C)c(C)c1 ZINC001589024090 985028421 /nfs/dbraw/zinc/02/84/21/985028421.db2.gz BYENBANNBXUQPX-INIZCTEOSA-N -1 0 342.395 2.707 20 30 EFEDRM C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@]1(C)C(=O)[O-] ZINC001599916135 985059331 /nfs/dbraw/zinc/05/93/31/985059331.db2.gz KXCRMLVRKOQWSO-LIRRHRJNSA-N -1 0 344.411 2.677 20 30 EFEDRM C[C@](CNC(=O)c1[nH]c2ccccc2c1C#N)(C(=O)[O-])c1ccccc1 ZINC001589059896 985178591 /nfs/dbraw/zinc/17/85/91/985178591.db2.gz LNMWFHOOWDCJRZ-HXUWFJFHSA-N -1 0 347.374 2.812 20 30 EFEDRM Cc1[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942916 985477767 /nfs/dbraw/zinc/47/77/67/985477767.db2.gz WPGOITRAGWGMLC-CYBMUJFWSA-N -1 0 339.395 2.905 20 30 EFEDRM Cc1[nH]c(C(=O)OCCCOc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599960850 985778479 /nfs/dbraw/zinc/77/84/79/985778479.db2.gz YKSONZXMDGERMY-UHFFFAOYSA-N -1 0 342.351 2.827 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC[C@H](O)c1ccc(C#N)cc1 ZINC001589267008 985942525 /nfs/dbraw/zinc/94/25/25/985942525.db2.gz RQLVQHVHLWASIM-INIZCTEOSA-N -1 0 325.320 2.571 20 30 EFEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC[C@@H](O)c1ccc(C#N)cc1 ZINC001589267009 985942917 /nfs/dbraw/zinc/94/29/17/985942917.db2.gz RQLVQHVHLWASIM-MRXNPFEDSA-N -1 0 325.320 2.571 20 30 EFEDRM CC(=O)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(F)c1 ZINC001589279055 986001077 /nfs/dbraw/zinc/00/10/77/986001077.db2.gz LBOIUIKCNZGAOP-UHFFFAOYSA-N -1 0 341.294 2.955 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599974757 986070849 /nfs/dbraw/zinc/07/08/49/986070849.db2.gz HYFXJXHFUIYZCW-AWEZNQCLSA-N -1 0 341.289 2.738 20 30 EFEDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cnn1CCC#N ZINC001599982945 986189414 /nfs/dbraw/zinc/18/94/14/986189414.db2.gz NQQWAMDBLHICCK-UHFFFAOYSA-N -1 0 349.350 2.604 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001599983703 986200094 /nfs/dbraw/zinc/20/00/94/986200094.db2.gz BAYSTLVEDNYVTQ-UHFFFAOYSA-N -1 0 340.364 2.615 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589334478 986201562 /nfs/dbraw/zinc/20/15/62/986201562.db2.gz FCWJGNSUBKTJIY-GXMKHXEJSA-N -1 0 326.308 2.921 20 30 EFEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccnc(Br)c2)n1C ZINC001599984112 986206788 /nfs/dbraw/zinc/20/67/88/986206788.db2.gz AUPRHZXDMSVONL-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589336059 986216503 /nfs/dbraw/zinc/21/65/03/986216503.db2.gz WNZWNXRYTTXPPN-LXIYXOSZSA-N -1 0 343.383 2.696 20 30 EFEDRM CCOc1c(Cl)cc(CN(CC#N)CCC(=O)[O-])cc1OC ZINC001596987002 986260046 /nfs/dbraw/zinc/26/00/46/986260046.db2.gz JCHJYMBEDPCXKQ-UHFFFAOYSA-N -1 0 326.780 2.548 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC001597015388 986365574 /nfs/dbraw/zinc/36/55/74/986365574.db2.gz PAPARRKPINKFLP-LLVKDONJSA-N -1 0 331.372 2.939 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccn(CCC#N)n1 ZINC001597023031 986428027 /nfs/dbraw/zinc/42/80/27/986428027.db2.gz VSXXRHCBOFTALV-UHFFFAOYSA-N -1 0 343.343 2.538 20 30 EFEDRM CCOc1ccc([C@@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597079146 986617957 /nfs/dbraw/zinc/61/79/57/986617957.db2.gz MYLFSXGYBIEGCZ-CYBMUJFWSA-N -1 0 345.399 2.546 20 30 EFEDRM CCOc1ccc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc1F ZINC001597081960 986628751 /nfs/dbraw/zinc/62/87/51/986628751.db2.gz SEXIHYBCSPQYEC-XFFZJAGNSA-N -1 0 330.315 2.789 20 30 EFEDRM CCOc1ccc(C=NOCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001597082584 986639632 /nfs/dbraw/zinc/63/96/32/986639632.db2.gz ZRQGPLJTPNPKKI-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM CCOc1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1OC ZINC001597105285 986735541 /nfs/dbraw/zinc/73/55/41/986735541.db2.gz KTPJWJQYPPCGHE-UHFFFAOYSA-N -1 0 327.340 2.671 20 30 EFEDRM CCOc1ccc(N(CCC#N)C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597106756 986750209 /nfs/dbraw/zinc/75/02/09/986750209.db2.gz TYTZVAZDNSTFHA-UHFFFAOYSA-N -1 0 327.340 2.672 20 30 EFEDRM C/C=C/C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001594685221 987053357 /nfs/dbraw/zinc/05/33/57/987053357.db2.gz ATUUFUJWNKQGRW-YWVDXFKGSA-N -1 0 348.424 2.623 20 30 EFEDRM C/C=C/C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001594685217 987053447 /nfs/dbraw/zinc/05/34/47/987053447.db2.gz ATUUFUJWNKQGRW-IBUXWKBASA-N -1 0 348.424 2.623 20 30 EFEDRM CCC(C#N)(CC)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594721876 987206550 /nfs/dbraw/zinc/20/65/50/987206550.db2.gz GEPKEMAGZFKWRN-UHFFFAOYSA-N -1 0 349.456 2.952 20 30 EFEDRM CC(C)(C(=O)NCc1cc(C(=O)[O-])co1)c1cc(F)cc(C#N)c1 ZINC001589572516 987345190 /nfs/dbraw/zinc/34/51/90/987345190.db2.gz RKOPBYFSSTYHQY-UHFFFAOYSA-N -1 0 330.315 2.583 20 30 EFEDRM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cc(F)cc(C#N)c1 ZINC001589579118 987357290 /nfs/dbraw/zinc/35/72/90/987357290.db2.gz CCULMTDOACKOCH-BHTHQVBYSA-N -1 0 344.386 2.590 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccnc(C#N)c1)c1ccccc1 ZINC001589599318 987421186 /nfs/dbraw/zinc/42/11/86/987421186.db2.gz SZSYIYVONREYIV-HNNXBMFYSA-N -1 0 338.367 2.927 20 30 EFEDRM CCc1[nH]c(C(=O)Oc2c(C)nn(CCC#N)c2C)c(C)c1C(=O)[O-] ZINC001597380538 987576324 /nfs/dbraw/zinc/57/63/24/987576324.db2.gz PEBCMAAGASWUBI-UHFFFAOYSA-N -1 0 344.371 2.530 20 30 EFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC001589672580 987675672 /nfs/dbraw/zinc/67/56/72/987675672.db2.gz PAATTYXFHHPVNX-CQSZACIVSA-N -1 0 340.383 2.729 20 30 EFEDRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])cn1)c1cc(F)cc(C#N)c1 ZINC001589681522 987713224 /nfs/dbraw/zinc/71/32/24/987713224.db2.gz VOIFAJQYJUJWFE-UHFFFAOYSA-N -1 0 342.326 2.812 20 30 EFEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ncccc1OCCCC#N ZINC001589702335 987798356 /nfs/dbraw/zinc/79/83/56/987798356.db2.gz CKZCHOHEFOEFIK-ZDUSSCGKSA-N -1 0 348.403 2.775 20 30 EFEDRM CCc1ccc(C#CC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001597494851 988038092 /nfs/dbraw/zinc/03/80/92/988038092.db2.gz JAICVQBFKFNDHV-SFHVURJKSA-N -1 0 339.366 2.724 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001597508304 988085500 /nfs/dbraw/zinc/08/55/00/988085500.db2.gz MAZMJXKJEZEMCR-CQSZACIVSA-N -1 0 326.352 2.772 20 30 EFEDRM CCc1ccc(C=NOCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001597520155 988147964 /nfs/dbraw/zinc/14/79/64/988147964.db2.gz QATLUXBEUIJSAZ-UHFFFAOYSA-N -1 0 326.352 2.936 20 30 EFEDRM CCc1ccc([C@H]2COCCN2Cc2cccc(C(=O)[O-])c2C#N)o1 ZINC001597520386 988150908 /nfs/dbraw/zinc/15/09/08/988150908.db2.gz VGGVROGQOGCNGC-QGZVFWFLSA-N -1 0 340.379 2.985 20 30 EFEDRM CCc1ccc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597562865 988311855 /nfs/dbraw/zinc/31/18/55/988311855.db2.gz XKFALNNFOVXUCK-ZDUSSCGKSA-N -1 0 329.400 2.710 20 30 EFEDRM CSc1ccc(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C#N ZINC001599812738 988365514 /nfs/dbraw/zinc/36/55/14/988365514.db2.gz BYUVKSDTQYQXDR-DAXSKMNVSA-N -1 0 342.376 2.901 20 30 EFEDRM CSc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001599815915 988423063 /nfs/dbraw/zinc/42/30/63/988423063.db2.gz ISNJBUJLVNIFPB-HNNXBMFYSA-N -1 0 342.376 2.650 20 30 EFEDRM CCc1cccc2[nH]c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc21 ZINC001597601402 988459238 /nfs/dbraw/zinc/45/92/38/988459238.db2.gz ZBYYFAAGASBFQE-UHFFFAOYSA-N -1 0 325.368 2.561 20 30 EFEDRM CCc1nc(C#N)cc(N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC001597644601 988654388 /nfs/dbraw/zinc/65/43/88/988654388.db2.gz CXLSLFRTKWQGEB-ZFWWWQNUSA-N -1 0 328.416 2.770 20 30 EFEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 ZINC001599831773 988686150 /nfs/dbraw/zinc/68/61/50/988686150.db2.gz DLFCILXNCAZKCY-LBPRGKRZSA-N -1 0 326.327 2.813 20 30 EFEDRM CCc1nn(C)c(Cl)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001597717582 988987365 /nfs/dbraw/zinc/98/73/65/988987365.db2.gz FNUILGRRKPBNSI-UHFFFAOYSA-N -1 0 347.758 2.563 20 30 EFEDRM CCc1oc2ccccc2c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597807773 989421705 /nfs/dbraw/zinc/42/17/05/989421705.db2.gz KEZHSWGKVOVIJA-UHFFFAOYSA-N -1 0 326.352 2.826 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCCOc1cccc(C#N)c1 ZINC001599877389 989437187 /nfs/dbraw/zinc/43/71/87/989437187.db2.gz PKLZJCGWOFFVMH-GDBMZVCRSA-N -1 0 344.411 2.819 20 30 EFEDRM CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597850223 989586657 /nfs/dbraw/zinc/58/66/57/989586657.db2.gz KVFCMZRWRGVULU-ZDUSSCGKSA-N -1 0 347.463 2.717 20 30 EFEDRM CCn1c(NC(=O)c2cc(C(=O)[O-])oc2C)nc2cc(C#N)ccc21 ZINC001597860081 989633387 /nfs/dbraw/zinc/63/33/87/989633387.db2.gz KIUDBACKZNSJCG-UHFFFAOYSA-N -1 0 338.323 2.780 20 30 EFEDRM CCn1ccnc1C=NNc1cc(C(=O)[O-])ccc1Br ZINC001597916372 989833829 /nfs/dbraw/zinc/83/38/29/989833829.db2.gz LBPNQFXCHJYHHF-UHFFFAOYSA-N -1 0 337.177 2.810 20 30 EFEDRM CC(C)(C)OCc1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590398796 989932109 /nfs/dbraw/zinc/93/21/09/989932109.db2.gz OKLSPLUDNNZXEL-UHFFFAOYSA-N -1 0 344.411 2.832 20 30 EFEDRM CC(C)(C)c1ccc(OCCCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001590498068 990105306 /nfs/dbraw/zinc/10/53/06/990105306.db2.gz NRSHEDXCTZNEDG-UHFFFAOYSA-N -1 0 346.427 2.970 20 30 EFEDRM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(C=CC(=O)[O-])o2)o1 ZINC001590537076 990151287 /nfs/dbraw/zinc/15/12/87/990151287.db2.gz PEYGSEZRSYFMHQ-SRMLDUBHSA-N -1 0 328.328 2.981 20 30 EFEDRM CC(C)(CC#N)CSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001590617071 990296097 /nfs/dbraw/zinc/29/60/97/990296097.db2.gz YRWUMWFSLHZTMU-UHFFFAOYSA-N -1 0 345.424 2.903 20 30 EFEDRM CC(C)(CC(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC001590625232 990307953 /nfs/dbraw/zinc/30/79/53/990307953.db2.gz JXZZCNYOLFYAPO-UHFFFAOYSA-N -1 0 344.285 2.981 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001590654902 990349544 /nfs/dbraw/zinc/34/95/44/990349544.db2.gz YHOTYXSKHQWRQR-MNOVXSKESA-N -1 0 349.353 2.611 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001590656578 990354884 /nfs/dbraw/zinc/35/48/84/990354884.db2.gz WADOYKGQLIVJOZ-UHFFFAOYSA-N -1 0 344.415 2.786 20 30 EFEDRM CC(C)(CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CC(=O)[O-] ZINC001590716594 990477952 /nfs/dbraw/zinc/47/79/52/990477952.db2.gz CQGIQQJOCRCOTF-JKSUJKDBSA-N -1 0 343.427 2.969 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590904706 990866135 /nfs/dbraw/zinc/86/61/35/990866135.db2.gz IPNZSNTVFGZTLL-UKRRQHHQSA-N -1 0 331.368 2.902 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001598287901 991192080 /nfs/dbraw/zinc/19/20/80/991192080.db2.gz MSQIAYRLCRQULN-KRWDZBQOSA-N -1 0 337.379 2.522 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(C#N)c1 ZINC001598300679 991247630 /nfs/dbraw/zinc/24/76/30/991247630.db2.gz WUXNACXAYMRTCF-UHFFFAOYSA-N -1 0 338.367 2.644 20 30 EFEDRM COc1ccccc1C[C@H](CNc1c(C#N)cccc1C#N)C(=O)[O-] ZINC001599708274 991325878 /nfs/dbraw/zinc/32/58/78/991325878.db2.gz YBCIXGQRDYVEAG-MRXNPFEDSA-N -1 0 335.363 2.794 20 30 EFEDRM CN(C)c1ccc(OC(=O)CCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001598329122 991360112 /nfs/dbraw/zinc/36/01/12/991360112.db2.gz KUIRLAXUEWICCC-UHFFFAOYSA-N -1 0 338.363 2.861 20 30 EFEDRM CN(C)c1ccc2c(c1)OCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001598334153 991378003 /nfs/dbraw/zinc/37/80/03/991378003.db2.gz ZMDFZFJFEONSIS-UHFFFAOYSA-N -1 0 337.379 2.721 20 30 EFEDRM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001591045576 991422158 /nfs/dbraw/zinc/42/21/58/991422158.db2.gz KWLVTJWGBMVHQJ-HNNXBMFYSA-N -1 0 338.791 2.570 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001591052165 991456548 /nfs/dbraw/zinc/45/65/48/991456548.db2.gz NFKYNSPDLWRUNS-QFBILLFUSA-N -1 0 344.411 2.675 20 30 EFEDRM COc1ncc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1C#N ZINC001599733555 991741610 /nfs/dbraw/zinc/74/16/10/991741610.db2.gz ATGDECLJOBLWDR-UHFFFAOYSA-N -1 0 346.387 2.509 20 30 EFEDRM CC(C)C[C@H](C#N)NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001591118552 991784617 /nfs/dbraw/zinc/78/46/17/991784617.db2.gz VCJLBDIJEWMRFU-GFCCVEGCSA-N -1 0 346.408 2.755 20 30 EFEDRM CN(CCC#N)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001598468323 991985363 /nfs/dbraw/zinc/98/53/63/991985363.db2.gz KWHHFPSMWSUJCB-UHFFFAOYSA-N -1 0 344.140 2.664 20 30 EFEDRM CC(C)C[C@@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001591188144 991992343 /nfs/dbraw/zinc/99/23/43/991992343.db2.gz JDKRHZWOZYBRLO-XJKSGUPXSA-N -1 0 348.374 2.566 20 30 EFEDRM CN(CCOc1ccccc1Cl)c1ccc(C(=O)[O-])nc1C#N ZINC001598499118 992406544 /nfs/dbraw/zinc/40/65/44/992406544.db2.gz JSLYGDLXGLMLPC-UHFFFAOYSA-N -1 0 331.759 2.820 20 30 EFEDRM CN(CCOc1ccccc1F)Cc1cccc(C(=O)[O-])c1C#N ZINC001598499396 992411542 /nfs/dbraw/zinc/41/15/42/992411542.db2.gz UDVRSEHIULPHHF-UHFFFAOYSA-N -1 0 328.343 2.906 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598500122 992423554 /nfs/dbraw/zinc/42/35/54/992423554.db2.gz GWJMKJGIRNDTCE-UHFFFAOYSA-N -1 0 336.391 2.890 20 30 EFEDRM CN(CCc1cccc(C#N)c1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598500341 992427696 /nfs/dbraw/zinc/42/76/96/992427696.db2.gz TVAJJOWBWWZESK-UHFFFAOYSA-N -1 0 325.324 2.844 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001591428575 992518432 /nfs/dbraw/zinc/51/84/32/992518432.db2.gz KOVLNVGFYSSIBK-AWEZNQCLSA-N -1 0 337.807 2.581 20 30 EFEDRM CC(C)C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001591446889 992545889 /nfs/dbraw/zinc/54/58/89/992545889.db2.gz IEVFJKSTVBHDHU-ZDUSSCGKSA-N -1 0 327.302 2.672 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598509171 992547057 /nfs/dbraw/zinc/54/70/57/992547057.db2.gz GCCFOQNPSGTCSQ-UHFFFAOYSA-N -1 0 347.374 2.870 20 30 EFEDRM CN(Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598509311 992549138 /nfs/dbraw/zinc/54/91/38/992549138.db2.gz QCMWHZKUPDTHRY-UHFFFAOYSA-N -1 0 341.323 2.566 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(OCC#N)c1 ZINC001598512213 992576738 /nfs/dbraw/zinc/57/67/38/992576738.db2.gz BSDJCFIWPLTGQI-UHFFFAOYSA-N -1 0 339.351 2.951 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591509124 992665914 /nfs/dbraw/zinc/66/59/14/992665914.db2.gz XSARWAYQRLFLKT-GLJUWKHASA-N -1 0 347.463 2.888 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598519892 992666532 /nfs/dbraw/zinc/66/65/32/992666532.db2.gz NYZXMMDMCHKMIY-PXNSSMCTSA-N -1 0 334.375 2.775 20 30 EFEDRM CN(Cc1ccc2c(c1)OCCO2)Cc1cccc(C(=O)[O-])c1C#N ZINC001598525810 992719856 /nfs/dbraw/zinc/71/98/56/992719856.db2.gz PJBFFMWNMZMVEX-UHFFFAOYSA-N -1 0 338.363 2.660 20 30 EFEDRM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@@H]1COc2ccccc2O1 ZINC001598527087 992733806 /nfs/dbraw/zinc/73/38/06/992733806.db2.gz HHOCKBXWELMQKS-CQSZACIVSA-N -1 0 338.363 2.528 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001591596682 992823709 /nfs/dbraw/zinc/82/37/09/992823709.db2.gz MFRLQCSJTJJOGS-INIZCTEOSA-N -1 0 327.384 2.652 20 30 EFEDRM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(C(=O)[O-])nc1C#N ZINC001598537557 992859182 /nfs/dbraw/zinc/85/91/82/992859182.db2.gz VRRXAMJSKKYFBI-UHFFFAOYSA-N -1 0 342.302 2.763 20 30 EFEDRM COc1ccc(F)cc1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599582708 993572806 /nfs/dbraw/zinc/57/28/06/993572806.db2.gz FXYQIHVUKHNUCI-KRWDZBQOSA-N -1 0 343.310 2.618 20 30 EFEDRM C[C@@H](NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C#N)cc1 ZINC001593079510 993649458 /nfs/dbraw/zinc/64/94/58/993649458.db2.gz VJVHOYIPPMZOMQ-SNVBAGLBSA-N -1 0 342.355 2.540 20 30 EFEDRM COc1ccc(NC(C)=O)cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001599599469 993794161 /nfs/dbraw/zinc/79/41/61/993794161.db2.gz SXRSTOOUWMVKAY-UHFFFAOYSA-N -1 0 339.351 2.836 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593117597 993816563 /nfs/dbraw/zinc/81/65/63/993816563.db2.gz PMWSFQKGLDIHJS-VIFPVBQESA-N -1 0 330.369 2.790 20 30 EFEDRM COc1ccc(OC)c(C=NOCCOc2cccc(C(=O)[O-])c2)c1 ZINC001599603787 993854864 /nfs/dbraw/zinc/85/48/64/993854864.db2.gz YHRCZGNUYGLINL-UHFFFAOYSA-N -1 0 345.351 2.832 20 30 EFEDRM C[C@@](NC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccc(F)cc1 ZINC001593145441 993940737 /nfs/dbraw/zinc/94/07/37/993940737.db2.gz FLWAXXNVTDYAAH-KRWDZBQOSA-N -1 0 348.280 2.705 20 30 EFEDRM C[C@H](NC(=O)c1ccccc1SCC#N)c1ncc(C(=O)[O-])s1 ZINC001593178985 994059947 /nfs/dbraw/zinc/05/99/47/994059947.db2.gz LEIZDBPVKXKOMB-VIFPVBQESA-N -1 0 347.421 2.948 20 30 EFEDRM CN1CCc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC001598627738 994125325 /nfs/dbraw/zinc/12/53/25/994125325.db2.gz SZIYERZNLXCSEN-QGZVFWFLSA-N -1 0 336.347 2.533 20 30 EFEDRM CN1CCc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC001598627737 994125473 /nfs/dbraw/zinc/12/54/73/994125473.db2.gz SZIYERZNLXCSEN-KRWDZBQOSA-N -1 0 336.347 2.533 20 30 EFEDRM COc1ccc2ccn(Cc3cccc(C(=O)[O-])c3C#N)c(=O)c2c1 ZINC001599635160 994275760 /nfs/dbraw/zinc/27/57/60/994275760.db2.gz JBSNLEPXIDZGTJ-UHFFFAOYSA-N -1 0 334.331 2.628 20 30 EFEDRM COc1ccc2cc(/C=C\C(=O)N(CC#N)CCC(=O)[O-])ccc2c1 ZINC001599635874 994287744 /nfs/dbraw/zinc/28/77/44/994287744.db2.gz UOTHQAYUORJGNR-CLTKARDFSA-N -1 0 338.363 2.688 20 30 EFEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1F ZINC001599645553 994420022 /nfs/dbraw/zinc/42/00/22/994420022.db2.gz CWFCCVAQCGSMSU-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(C#N)oc2C)c1 ZINC001599652698 994530705 /nfs/dbraw/zinc/53/07/05/994530705.db2.gz CKACBYRMBNKANW-SFHVURJKSA-N -1 0 342.351 2.588 20 30 EFEDRM COc1cccc(C[C@H](NC(=O)CC2(C#N)CCCCC2)C(=O)[O-])c1 ZINC001599669882 994792475 /nfs/dbraw/zinc/79/24/75/994792475.db2.gz ZSYVIZKEVICLAY-INIZCTEOSA-N -1 0 344.411 2.671 20 30 EFEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])[C@]12C[C@H]1CCCC2 ZINC001593334090 994908444 /nfs/dbraw/zinc/90/84/44/994908444.db2.gz JUHDILGEPAFWOA-PPHDSNJXSA-N -1 0 348.424 2.504 20 30 EFEDRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N(C)Cc1cc(C#N)cs1 ZINC001598713517 995377536 /nfs/dbraw/zinc/37/75/36/995377536.db2.gz PWSQTKIFIIDNKJ-HNNXBMFYSA-N -1 0 344.392 2.664 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)C#Cc2ccccc2)cc1F)C(=O)[O-] ZINC001593623607 995882239 /nfs/dbraw/zinc/88/22/39/995882239.db2.gz XSGRXZWVTSPQQM-LBPRGKRZSA-N -1 0 327.311 2.668 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001593641264 995950502 /nfs/dbraw/zinc/95/05/02/995950502.db2.gz BZMUJSCKDTUUDF-GHMZBOCLSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@@H](Oc1ccccc1CN(CCC#N)Cc1ccccn1)C(=O)[O-] ZINC001593646298 995982872 /nfs/dbraw/zinc/98/28/72/995982872.db2.gz WLWDZHRRNYKTPJ-OAHLLOKOSA-N -1 0 339.395 2.849 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001593698403 996163933 /nfs/dbraw/zinc/16/39/33/996163933.db2.gz JKYBMTKEIFRFRV-XEBKBJJBSA-N -1 0 329.400 2.904 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N(C)CCOCc1ccc(C#N)cc1 ZINC001593732207 996310163 /nfs/dbraw/zinc/31/01/63/996310163.db2.gz PRJTYPMNTVIOEX-GFCCVEGCSA-N -1 0 345.424 2.923 20 30 EFEDRM C[C@]1(C#N)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001593742581 996361391 /nfs/dbraw/zinc/36/13/91/996361391.db2.gz BJEYBZNEGZNLFF-INIZCTEOSA-N -1 0 345.380 2.746 20 30 EFEDRM C[C@]1(C(=O)[O-])CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001593762919 996435077 /nfs/dbraw/zinc/43/50/77/996435077.db2.gz WSEOOPXFCMFJAN-INIZCTEOSA-N -1 0 339.313 2.770 20 30 EFEDRM CC1(C)C[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C(C)(C)O1 ZINC001593848751 996621198 /nfs/dbraw/zinc/62/11/98/996621198.db2.gz YXNMPMOPFZSMFY-HNNXBMFYSA-N -1 0 330.380 2.873 20 30 EFEDRM CC1(C)CC[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)OC1 ZINC001593875903 996696195 /nfs/dbraw/zinc/69/61/95/996696195.db2.gz HDOCDTSMBCLCEB-ZDUSSCGKSA-N -1 0 331.368 2.895 20 30 EFEDRM CC1(C)CCC[C@](NC(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1 ZINC001593891447 996736582 /nfs/dbraw/zinc/73/65/82/996736582.db2.gz CWQDYQUKYXJRDI-QGZVFWFLSA-N -1 0 336.338 2.990 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001599379616 996810676 /nfs/dbraw/zinc/81/06/76/996810676.db2.gz SIDJDAOIHWHFIZ-LSDHHAIUSA-N -1 0 337.331 2.974 20 30 EFEDRM COc1cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1C#N ZINC001599387748 996974603 /nfs/dbraw/zinc/97/46/03/996974603.db2.gz TVIPSGJEONRSDZ-UHFFFAOYSA-N -1 0 343.360 2.963 20 30 EFEDRM COCc1cc(NC(=O)NCC(C)(C)CCC#N)cc(C(=O)[O-])c1 ZINC001599288100 997016203 /nfs/dbraw/zinc/01/62/03/997016203.db2.gz XRIGXKXPNBDDLN-UHFFFAOYSA-N -1 0 333.388 2.983 20 30 EFEDRM COCc1cc(NC(=O)c2ccc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC001599288859 997028261 /nfs/dbraw/zinc/02/82/61/997028261.db2.gz VEQSBDLIHXNRRD-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc(C#N)s1)CC2 ZINC001599497312 997042169 /nfs/dbraw/zinc/04/21/69/997042169.db2.gz CTFRMIRHCDYXQM-UHFFFAOYSA-N -1 0 342.376 2.525 20 30 EFEDRM CC1(C)OCC[C@H]1NN=Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001593982800 997219756 /nfs/dbraw/zinc/21/97/56/997219756.db2.gz XNWVPQFUSVFTJN-GFCCVEGCSA-N -1 0 341.205 2.638 20 30 EFEDRM COc1cc(CCNc2ccc(C(=O)[O-])nc2C#N)ccc1Cl ZINC001599404474 997271249 /nfs/dbraw/zinc/27/12/49/997271249.db2.gz QUILCQZVMPRLLS-UHFFFAOYSA-N -1 0 331.759 2.968 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2sccc2C#N)cc1 ZINC001599512802 997326790 /nfs/dbraw/zinc/32/67/90/997326790.db2.gz RJSCLBWQFIASSP-ZDUSSCGKSA-N -1 0 345.380 2.966 20 30 EFEDRM COc1cc(CNC(=O)Nc2cc(C#N)ccc2C)ccc1C(=O)[O-] ZINC001599411304 997427316 /nfs/dbraw/zinc/42/73/16/997427316.db2.gz PEDMJHLLVCETSN-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1cc(CNc2nc3ncccc3cc2C#N)ccc1C(=O)[O-] ZINC001599418045 997544434 /nfs/dbraw/zinc/54/44/34/997544434.db2.gz ACONRAWTAQWRDP-UHFFFAOYSA-N -1 0 334.335 2.820 20 30 EFEDRM CON=Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001599320545 997573777 /nfs/dbraw/zinc/57/37/77/997573777.db2.gz JVDRTIFRJMYYSU-UHFFFAOYSA-N -1 0 329.308 2.593 20 30 EFEDRM COc1ccc([C@H](NCc2cccc(F)c2C#N)C(=O)[O-])c(OC)c1 ZINC001599530744 997646823 /nfs/dbraw/zinc/64/68/23/997646823.db2.gz HVIRHIYCIVQELQ-KRWDZBQOSA-N -1 0 344.342 2.630 20 30 EFEDRM COc1cc(F)ccc1NN=Cc1c(C)nn(CCC(=O)[O-])c1C ZINC001599426810 997690899 /nfs/dbraw/zinc/69/08/99/997690899.db2.gz HLFZRUUNPLQBLE-UHFFFAOYSA-N -1 0 334.351 2.568 20 30 EFEDRM COC(=O)c1cc(CN(CCC#N)Cc2ccco2)cc(C(=O)[O-])c1 ZINC001598929116 997709384 /nfs/dbraw/zinc/70/93/84/997709384.db2.gz DMAUYVZXRJGXMJ-UHFFFAOYSA-N -1 0 342.351 2.680 20 30 EFEDRM COC(=O)c1cc(CN(C)Cc2cccc(C(=O)[O-])c2C#N)oc1C ZINC001598929509 997717722 /nfs/dbraw/zinc/71/77/22/997717722.db2.gz NGOUZVMBLFBBIJ-UHFFFAOYSA-N -1 0 342.351 2.577 20 30 EFEDRM C[C@]1(NC(=O)c2[nH]c3ccccc3c2C#N)CCCC[C@H]1C(=O)[O-] ZINC001594055614 997788227 /nfs/dbraw/zinc/78/82/27/997788227.db2.gz GVMVYCNOHXUXIF-UGSOOPFHSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1cc(NC(=O)N2CCC(C)(C#N)CC2)c(C(=O)[O-])cc1OC ZINC001599433997 997809541 /nfs/dbraw/zinc/80/95/41/997809541.db2.gz AXCSAUTZWYNZFQ-UHFFFAOYSA-N -1 0 347.371 2.560 20 30 EFEDRM COC(=O)c1cc(Cl)ncc1OCc1cccc(C(=O)[O-])c1C#N ZINC001598935715 997861224 /nfs/dbraw/zinc/86/12/24/997861224.db2.gz CYNPJEXUSHVAQF-UHFFFAOYSA-N -1 0 346.726 2.670 20 30 EFEDRM COC(=O)c1cc(F)c(NCc2cccc(C(=O)[O-])c2C#N)c(F)c1 ZINC001598935713 997861814 /nfs/dbraw/zinc/86/18/14/997861814.db2.gz CUNJNWUFYXKGGT-UHFFFAOYSA-N -1 0 346.289 2.933 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599235942 997945620 /nfs/dbraw/zinc/94/56/20/997945620.db2.gz YJJRGVXFPXMNGC-UHFFFAOYSA-N -1 0 341.367 2.932 20 30 EFEDRM COCCN(Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccc(C#N)cc1 ZINC001599239341 998008409 /nfs/dbraw/zinc/00/84/09/998008409.db2.gz YKEVCBXJNVJMJX-UHFFFAOYSA-N -1 0 327.384 2.542 20 30 EFEDRM COc1cc(OC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001599445864 998009028 /nfs/dbraw/zinc/00/90/28/998009028.db2.gz NTDQPWSMCZSYQQ-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599348969 998059531 /nfs/dbraw/zinc/05/95/31/998059531.db2.gz FBYJTYGNVBEGAP-SJKOYZFVSA-N -1 0 338.363 2.759 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001599349040 998061160 /nfs/dbraw/zinc/06/11/60/998061160.db2.gz GTQYKJCXDKHAOW-ZDUSSCGKSA-N -1 0 330.384 2.530 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C#N)cc1OC ZINC001599349589 998069759 /nfs/dbraw/zinc/06/97/59/998069759.db2.gz WOMDEXIKTZTCOX-UHFFFAOYSA-N -1 0 340.335 2.550 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(C#N)c2Cl)NC(=O)N1C1CC1 ZINC001594098574 998084104 /nfs/dbraw/zinc/08/41/04/998084104.db2.gz UOCAMASAKOBJJC-CQSZACIVSA-N -1 0 349.749 2.938 20 30 EFEDRM COC(=O)c1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1F ZINC001598947935 998091453 /nfs/dbraw/zinc/09/14/53/998091453.db2.gz BJSBXJLBGLVGTC-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COC(=O)c1cc(OC)ccc1NCc1cccc(C(=O)[O-])c1C#N ZINC001598949316 998118295 /nfs/dbraw/zinc/11/82/95/998118295.db2.gz AVCHTTPSVJXKMH-UHFFFAOYSA-N -1 0 340.335 2.664 20 30 EFEDRM COC(=O)c1cc(OCCCC2(C#N)CCOCC2)cc(C(=O)[O-])c1 ZINC001598949334 998119601 /nfs/dbraw/zinc/11/96/01/998119601.db2.gz BOTGAGNDHPHFEI-UHFFFAOYSA-N -1 0 347.367 2.651 20 30 EFEDRM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1C#N ZINC001599353358 998134771 /nfs/dbraw/zinc/13/47/71/998134771.db2.gz WHTGXOKQXDNLDN-OAHLLOKOSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)ccc1C#N ZINC001599354791 998160628 /nfs/dbraw/zinc/16/06/28/998160628.db2.gz JTYPGSIXKGTLLK-UHFFFAOYSA-N -1 0 331.715 2.566 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](COc2cc(Br)ccc2C#N)O1 ZINC001594106227 998167688 /nfs/dbraw/zinc/16/76/88/998167688.db2.gz LASIOVBVCGITHZ-LLVKDONJSA-N -1 0 338.157 2.847 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1O ZINC001599357951 998211086 /nfs/dbraw/zinc/21/10/86/998211086.db2.gz HNLKQQFJJVCRCK-DIFDTVSCSA-N -1 0 344.367 2.758 20 30 EFEDRM COc1cc2ccccc2cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599466674 998373127 /nfs/dbraw/zinc/37/31/27/998373127.db2.gz PSZXTIXYPAQIOK-UHFFFAOYSA-N -1 0 338.363 2.679 20 30 EFEDRM COC(=O)c1cc(OC(=O)c2ccc(C)c(C#N)c2)cc(C(=O)[O-])c1 ZINC001598964017 998383644 /nfs/dbraw/zinc/38/36/44/998383644.db2.gz SWJFAUKJUTXPLA-UHFFFAOYSA-N -1 0 339.303 2.571 20 30 EFEDRM COc1ccc(CNN=Cc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC001599573214 998398495 /nfs/dbraw/zinc/39/84/95/998398495.db2.gz VKGPDRJUVKMZCE-UHFFFAOYSA-N -1 0 342.395 2.899 20 30 EFEDRM COc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001599576125 998446101 /nfs/dbraw/zinc/44/61/01/998446101.db2.gz XCIXEAIMTVPCAA-UHFFFAOYSA-N -1 0 339.347 2.941 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001599374361 998462899 /nfs/dbraw/zinc/46/28/99/998462899.db2.gz OGDVIMCNVUUJDG-UHFFFAOYSA-N -1 0 339.351 2.583 20 30 EFEDRM COc1ccc(C#N)cc1CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001599476330 998537780 /nfs/dbraw/zinc/53/77/80/998537780.db2.gz APIISACIRUCFFZ-QGZVFWFLSA-N -1 0 342.326 2.558 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599476935 998548377 /nfs/dbraw/zinc/54/83/77/998548377.db2.gz PYMSCYSNRIMNAV-MRVPVSSYSA-N -1 0 346.368 2.604 20 30 EFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001594161031 998598139 /nfs/dbraw/zinc/59/81/39/998598139.db2.gz BJCVJHJJHBXMQZ-UONOGXRCSA-N -1 0 339.395 2.880 20 30 EFEDRM COC(=O)c1cccc([C@H](C(=O)[O-])N(C)Cc2cc(C#N)cs2)c1 ZINC001598992047 998746721 /nfs/dbraw/zinc/74/67/21/998746721.db2.gz FUZXLLMDFKINHB-OAHLLOKOSA-N -1 0 344.392 2.664 20 30 EFEDRM CC1CC(C(=O)N(CC#N)CCC(=O)[O-])(c2cccc(Cl)c2)C1 ZINC001594200964 998775706 /nfs/dbraw/zinc/77/57/06/998775706.db2.gz TUHFVCMZSIFZNH-UHFFFAOYSA-N -1 0 334.803 2.835 20 30 EFEDRM CO[C@H](c1ccccc1F)[C@@H](C)Nc1ccc(C(=O)[O-])nc1C#N ZINC001599064662 999290498 /nfs/dbraw/zinc/29/04/98/999290498.db2.gz YSLXSVCOHQBXGZ-HWPZZCPQSA-N -1 0 329.331 2.979 20 30 EFEDRM C[C@H]1CCCc2ncc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n21 ZINC001594387255 999465137 /nfs/dbraw/zinc/46/51/37/999465137.db2.gz BMZCSQFBTMJJBN-MEDUHNTESA-N -1 0 339.351 2.635 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)O[C@H]1C(=O)[O-] ZINC001594443164 999630647 /nfs/dbraw/zinc/63/06/47/999630647.db2.gz ANSWYBKUDPZIFJ-ULSKOJAOSA-N -1 0 348.424 2.561 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001574797141 1088103526 /nfs/dbraw/zinc/10/35/26/1088103526.db2.gz HIVSXBGOIQUFOR-ZWKOTPCHSA-N -1 0 349.390 2.713 20 30 EFEDRM C[C@@H]1CC(Sc2nc(N)c(-c3nn[nH]n3)cc2C#N)C[C@@H](C)C1 ZINC001575969870 1088817163 /nfs/dbraw/zinc/81/71/63/1088817163.db2.gz MFKNAZWRUHZBNS-IUCAKERBSA-N -1 0 329.433 2.632 20 30 EFEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC001647080230 1088849520 /nfs/dbraw/zinc/84/95/20/1088849520.db2.gz AVINYPDNGOZVLX-CQSZACIVSA-N -1 0 342.420 2.947 20 30 EFEDRM CC[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001576999110 1089574585 /nfs/dbraw/zinc/57/45/85/1089574585.db2.gz NFXGVXXIXAQZFI-NSHDSACASA-N -1 0 340.778 2.745 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCCC(C)(C)CC1 ZINC001647700021 1089793836 /nfs/dbraw/zinc/79/38/36/1089793836.db2.gz IQLZDJUFHLGNLS-UHFFFAOYSA-N -1 0 340.431 2.954 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211537578 1092548461 /nfs/dbraw/zinc/54/84/61/1092548461.db2.gz QAHGBTGKANFTEO-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM C=CC(C)(C)C(=O)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104419855 1092912741 /nfs/dbraw/zinc/91/27/41/1092912741.db2.gz HMKDIISFQQFGTK-UHFFFAOYSA-N -1 0 348.403 2.749 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2c(Cl)cnn2C)c1)C(=O)[O-] ZINC000588534857 1092944793 /nfs/dbraw/zinc/94/47/93/1092944793.db2.gz PEWSNEZKSQVZEC-GFVADAIESA-N -1 0 334.759 2.822 20 30 EFEDRM C=C(CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588444041 1092946695 /nfs/dbraw/zinc/94/66/95/1092946695.db2.gz HIWBOLWXTNRZTB-CQSZACIVSA-N -1 0 348.410 2.940 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001588455594 1092947105 /nfs/dbraw/zinc/94/71/05/1092947105.db2.gz ANPOJODJGKGVAK-TXEJJXNPSA-N -1 0 329.791 2.843 20 30 EFEDRM C=C(CNC(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccccc1 ZINC001588444197 1092947232 /nfs/dbraw/zinc/94/72/32/1092947232.db2.gz QFBGXUYDMIECKQ-UHFFFAOYSA-N -1 0 346.394 2.605 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1c(C)cc(-c2nn[nH]n2)cc1C ZINC001588443603 1092947825 /nfs/dbraw/zinc/94/78/25/1092947825.db2.gz VYOLIIQBJBBIRC-HOCLYGCPSA-N -1 0 342.399 2.508 20 30 EFEDRM C=C(CC)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC001588442957 1092948359 /nfs/dbraw/zinc/94/83/59/1092948359.db2.gz UABJCOAHMDWZEF-UHFFFAOYSA-N -1 0 330.392 2.742 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001588486721 1092949139 /nfs/dbraw/zinc/94/91/39/1092949139.db2.gz JMEKQBAYDXOFOS-UHFFFAOYSA-N -1 0 329.404 2.598 20 30 EFEDRM C=CC(C)(C)CCCNC(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 ZINC001588487472 1092950538 /nfs/dbraw/zinc/95/05/38/1092950538.db2.gz RUKSIZKBXNWURD-UHFFFAOYSA-N -1 0 329.408 2.684 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC001588525846 1092952798 /nfs/dbraw/zinc/95/27/98/1092952798.db2.gz LLQKOFPDUZFHET-OAHLLOKOSA-N -1 0 336.351 2.959 20 30 EFEDRM C=CCCCNC(=O)N(CC=C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588600592 1092966125 /nfs/dbraw/zinc/96/61/25/1092966125.db2.gz HXSOZJAGKOJVHZ-UHFFFAOYSA-N -1 0 326.404 2.531 20 30 EFEDRM C=CCCCNC(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC001588600622 1092966168 /nfs/dbraw/zinc/96/61/68/1092966168.db2.gz IRBAJCYZYSGGMZ-UHFFFAOYSA-N -1 0 330.392 2.742 20 30 EFEDRM C=CCCCN(C)C(=O)NCc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001588601592 1092968278 /nfs/dbraw/zinc/96/82/78/1092968278.db2.gz QPJSRNJMKPLXGM-UHFFFAOYSA-N -1 0 334.811 2.628 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001588882782 1092999510 /nfs/dbraw/zinc/99/95/10/1092999510.db2.gz SNRYKJYTHLLHIK-CMDGGOBGSA-N -1 0 333.351 2.721 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccnc2Cl)o1 ZINC001589237732 1093055813 /nfs/dbraw/zinc/05/58/13/1093055813.db2.gz DVKWDBNROBMCFV-UHFFFAOYSA-N -1 0 346.782 2.647 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001589238521 1093056546 /nfs/dbraw/zinc/05/65/46/1093056546.db2.gz YXWXWUHAVGWSCM-UHFFFAOYSA-N -1 0 347.329 2.876 20 30 EFEDRM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nn[nH]n1)c1cccnc1 ZINC001589456232 1093084875 /nfs/dbraw/zinc/08/48/75/1093084875.db2.gz CUYAINPREFCRQK-MRXNPFEDSA-N -1 0 333.399 2.985 20 30 EFEDRM CC(C)[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[nH]n2)CCO1 ZINC001589499066 1093094272 /nfs/dbraw/zinc/09/42/72/1093094272.db2.gz HLXKLZVDVJCADY-WFASDCNBSA-N -1 0 326.404 2.601 20 30 EFEDRM CC[C@H]1CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC)C1 ZINC001650294435 1093118463 /nfs/dbraw/zinc/11/84/63/1093118463.db2.gz ATQVEOMMZFPLJP-LBPRGKRZSA-N -1 0 326.404 2.564 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001650295714 1093119746 /nfs/dbraw/zinc/11/97/46/1093119746.db2.gz DMMZFJFOXMCVBM-LBPRGKRZSA-N -1 0 340.431 2.810 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC(C)(C)C[C@H]1C ZINC001650299611 1093125028 /nfs/dbraw/zinc/12/50/28/1093125028.db2.gz SIKLIVYHLDUIDQ-LLVKDONJSA-N -1 0 326.404 2.562 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCC(F)(F)C2)o1 ZINC001589774105 1093143094 /nfs/dbraw/zinc/14/30/94/1093143094.db2.gz SFGURKWGPXKKEA-MRVPVSSYSA-N -1 0 325.323 2.811 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001650320538 1093151056 /nfs/dbraw/zinc/15/10/56/1093151056.db2.gz GYMYDYSSRUXWKE-ISTRZQFTSA-N -1 0 341.411 2.688 20 30 EFEDRM CC(C)c1ccc(C[C@H](C)Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001589896311 1093170472 /nfs/dbraw/zinc/17/04/72/1093170472.db2.gz FVPTYPOSUYTICT-LBPRGKRZSA-N -1 0 348.414 2.695 20 30 EFEDRM C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1csc2ccccc12 ZINC001589988221 1093212188 /nfs/dbraw/zinc/21/21/88/1093212188.db2.gz WYEMQEVWBQYYTH-VIFPVBQESA-N -1 0 348.395 2.916 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CSCC(=O)c2ccccc2)c1 ZINC000176409195 1093252412 /nfs/dbraw/zinc/25/24/12/1093252412.db2.gz XCQMSRCHIVLGKD-UHFFFAOYSA-N -1 0 326.377 2.818 20 30 EFEDRM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccco1 ZINC001590358703 1093391054 /nfs/dbraw/zinc/39/10/54/1093391054.db2.gz DCBWAXODIKEZDK-UHFFFAOYSA-N -1 0 329.364 2.971 20 30 EFEDRM CC[C@@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001590409567 1093407424 /nfs/dbraw/zinc/40/74/24/1093407424.db2.gz LVPRBSRXBCBAMD-BXUZGUMPSA-N -1 0 337.387 2.688 20 30 EFEDRM CC[C@@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001590409576 1093408162 /nfs/dbraw/zinc/40/81/62/1093408162.db2.gz LVPRBSRXBCBAMD-RISCZKNCSA-N -1 0 337.387 2.688 20 30 EFEDRM CCN(C)c1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000588579725 1093446624 /nfs/dbraw/zinc/44/66/24/1093446624.db2.gz RYTNGHMRIJORMF-CLFYSBASSA-N -1 0 340.379 2.897 20 30 EFEDRM CC(C)(C)c1ccc([C@@H](O)CCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001590479614 1093448573 /nfs/dbraw/zinc/44/85/73/1093448573.db2.gz COZOCIWZHUKLQU-INIZCTEOSA-N -1 0 346.427 2.625 20 30 EFEDRM CC(C)(c1ccc(NC(=N[O-])c2nonc2N)cc1)C(F)(F)F ZINC001213390636 1093454777 /nfs/dbraw/zinc/45/47/77/1093454777.db2.gz MSCJSHRYFPNQGV-UHFFFAOYSA-N -1 0 329.282 2.740 20 30 EFEDRM CO[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1CCCC1 ZINC001591326107 1093692133 /nfs/dbraw/zinc/69/21/33/1093692133.db2.gz ICPBLQIYTOFYSN-NSHDSACASA-N -1 0 347.423 2.755 20 30 EFEDRM CO[C@H](CN=Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1 ZINC001591325914 1093692180 /nfs/dbraw/zinc/69/21/80/1093692180.db2.gz CJYVPNVQQMJNCI-GFCCVEGCSA-N -1 0 340.309 2.708 20 30 EFEDRM COCC(CC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001591376728 1093709084 /nfs/dbraw/zinc/70/90/84/1093709084.db2.gz ZIVZHXVGLUSOQC-UHFFFAOYSA-N -1 0 335.412 2.829 20 30 EFEDRM COc1cc(Oc2snc(Cl)c2-c2nnn[n-]2)ccc1C#N ZINC001591554592 1093768052 /nfs/dbraw/zinc/76/80/52/1093768052.db2.gz FVLLTSNIJSAYMG-UHFFFAOYSA-N -1 0 334.748 2.649 20 30 EFEDRM COc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC001591575856 1093776793 /nfs/dbraw/zinc/77/67/93/1093776793.db2.gz FBCDFSDTYDRGSS-UHFFFAOYSA-N -1 0 341.375 2.823 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cccc1-c1nn[nH]n1 ZINC001591802023 1093863148 /nfs/dbraw/zinc/86/31/48/1093863148.db2.gz NCQFOFNBNDDQFQ-ZDUSSCGKSA-N -1 0 344.334 2.806 20 30 EFEDRM Cc1cc(C=CC(=O)c2ccc(C(=O)[O-])s2)ccc1-c1nn[nH]n1 ZINC001591959642 1093932693 /nfs/dbraw/zinc/93/26/93/1093932693.db2.gz UNHRDMQPUCKTNT-HWKANZROSA-N -1 0 340.364 2.831 20 30 EFEDRM Cc1cc(OC(=O)c2csc(C#N)c2)c(C)c(C)c1-c1nn[nH]n1 ZINC001592061171 1093971946 /nfs/dbraw/zinc/97/19/46/1093971946.db2.gz WQRXZLIDDVDGPL-UHFFFAOYSA-N -1 0 339.380 2.944 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)Cc1c(C)cc(-c2nn[nH]n2)cc1C ZINC001592113592 1093984292 /nfs/dbraw/zinc/98/42/92/1093984292.db2.gz RRAPZVDTDTVZHC-UHFFFAOYSA-N -1 0 346.394 2.845 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001592113621 1093985182 /nfs/dbraw/zinc/98/51/82/1093985182.db2.gz UFBXQXBXJKGAKB-GFCCVEGCSA-N -1 0 333.351 2.965 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001592113120 1093985269 /nfs/dbraw/zinc/98/52/69/1093985269.db2.gz FXFQRBNPUPDWLX-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM Cc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c1 ZINC001592225862 1094037987 /nfs/dbraw/zinc/03/79/87/1094037987.db2.gz AYODPSDVQRVBPO-UHFFFAOYSA-N -1 0 325.376 2.907 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(C#N)n1Cc1cc(Cl)ccc1Cl ZINC001592335230 1094078791 /nfs/dbraw/zinc/07/87/91/1094078791.db2.gz OVYREDSDTUBKOP-UHFFFAOYSA-N -1 0 334.170 2.598 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(C(F)(F)F)c2)o1 ZINC001592338561 1094080775 /nfs/dbraw/zinc/08/07/75/1094080775.db2.gz HNQAEOSYTHWYHK-UHFFFAOYSA-N -1 0 337.265 2.628 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CCc3cccc(Cl)c3C2)o1 ZINC001592337165 1094082099 /nfs/dbraw/zinc/08/20/99/1094082099.db2.gz OQDHQZKAPPQZOE-UHFFFAOYSA-N -1 0 343.778 2.773 20 30 EFEDRM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)s1)c1nc(C2CC2)cs1 ZINC001592665657 1094172871 /nfs/dbraw/zinc/17/28/71/1094172871.db2.gz QNAJPAKZWZTIRW-QMMMGPOBSA-N -1 0 342.409 2.752 20 30 EFEDRM N#CCCCn1c(=O)c(-c2nnn[n-]2)ccc1-c1ccc(Cl)s1 ZINC001592676931 1094176475 /nfs/dbraw/zinc/17/64/75/1094176475.db2.gz KJETUXFGHRXIBP-UHFFFAOYSA-N -1 0 346.803 2.714 20 30 EFEDRM N#Cc1ncc(N[C@H](c2ccccc2)C2CCCC2)nc1-c1nnn[n-]1 ZINC001592710636 1094182895 /nfs/dbraw/zinc/18/28/95/1094182895.db2.gz RXTRIWGMYNVQLW-MRXNPFEDSA-N -1 0 346.398 2.872 20 30 EFEDRM N#Cc1ncc(Nc2cccc(OC3CCCC3)c2)nc1-c1nnn[n-]1 ZINC001592708674 1094183098 /nfs/dbraw/zinc/18/30/98/1094183098.db2.gz ICBVDJQZARRJOV-UHFFFAOYSA-N -1 0 348.370 2.593 20 30 EFEDRM N#Cc1ncc(NC2CCC3(CCCCC3)CC2)nc1-c1nnn[n-]1 ZINC001592710169 1094183139 /nfs/dbraw/zinc/18/31/39/1094183139.db2.gz HYWDZCTYBXJFSL-UHFFFAOYSA-N -1 0 338.419 2.833 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC001593281948 1094264163 /nfs/dbraw/zinc/26/41/63/1094264163.db2.gz OKACYJKQSROQBJ-OWOJBTEDSA-N -1 0 332.366 2.584 20 30 EFEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC001593283368 1094265998 /nfs/dbraw/zinc/26/59/98/1094265998.db2.gz PIBUFEUJJHIAQD-PLNGDYQASA-N -1 0 326.337 2.523 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000588592778 1094295808 /nfs/dbraw/zinc/29/58/08/1094295808.db2.gz RWLIHXTYLAYPJP-FPLPWBNLSA-N -1 0 329.274 2.698 20 30 EFEDRM O=C([O-])[C@@H]1CC(=Cc2cccc(-c3nn[nH]n3)c2)C(=O)c2ccccc21 ZINC001593380856 1094304522 /nfs/dbraw/zinc/30/45/22/1094304522.db2.gz UPOBGOXDAXYZFV-LRFDDAOPSA-N -1 0 346.346 2.705 20 30 EFEDRM CCn1ccnc1C(=O)/C=C/c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001597911337 1094639964 /nfs/dbraw/zinc/63/99/64/1094639964.db2.gz SIPQFOCSNSDBNA-AATRIKPKSA-N -1 0 328.368 2.879 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001599375113 1094694708 /nfs/dbraw/zinc/69/47/08/1094694708.db2.gz FVNKAFIVRGBVDZ-LLVKDONJSA-N -1 0 339.351 2.704 20 30 EFEDRM Cc1c(Cl)cnc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)c1C#N ZINC001600018063 1094724025 /nfs/dbraw/zinc/72/40/25/1094724025.db2.gz UVKLMPJVQADOSB-NSHDSACASA-N -1 0 331.763 2.757 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OS(=O)(=O)Cc1cccc(C#N)c1 ZINC001600019421 1094725244 /nfs/dbraw/zinc/72/52/44/1094725244.db2.gz SMEJNJGGJMBUIY-UHFFFAOYSA-N -1 0 349.339 2.613 20 30 EFEDRM Cc1c(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035907 1094730938 /nfs/dbraw/zinc/73/09/38/1094730938.db2.gz ZTQIPWBSMFLNIB-GXFFZTMASA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)NCC#C[C@H]2CCCCO2)ccc(F)c1C(=O)[O-] ZINC001600041596 1094736207 /nfs/dbraw/zinc/73/62/07/1094736207.db2.gz QWSQIZCCIUSOOE-GFCCVEGCSA-N -1 0 334.347 2.526 20 30 EFEDRM Cc1c(NC(=O)c2ccc(C#N)cc2F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600046648 1094740332 /nfs/dbraw/zinc/74/03/32/1094740332.db2.gz LKKYBESEEZUFHJ-UHFFFAOYSA-N -1 0 343.270 2.865 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001600073944 1094753688 /nfs/dbraw/zinc/75/36/88/1094753688.db2.gz DLYQMQQNOSBHCB-UHFFFAOYSA-N -1 0 336.347 2.600 20 30 EFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)CCCCCC(=O)[O-] ZINC001600074061 1094753702 /nfs/dbraw/zinc/75/37/02/1094753702.db2.gz KPXMOVYAKRDLRF-UHFFFAOYSA-N -1 0 325.386 2.529 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC001600074064 1094754165 /nfs/dbraw/zinc/75/41/65/1094754165.db2.gz KRKUUBSPJRGYIU-UHFFFAOYSA-N -1 0 339.351 2.765 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600075836 1094755238 /nfs/dbraw/zinc/75/52/38/1094755238.db2.gz CUZKFGLMHAQIBO-SFHVURJKSA-N -1 0 341.342 2.521 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600076296 1094755530 /nfs/dbraw/zinc/75/55/30/1094755530.db2.gz RTVIRTKMOKLXKN-AWEZNQCLSA-N -1 0 344.754 2.768 20 30 EFEDRM Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC001600077573 1094755750 /nfs/dbraw/zinc/75/57/50/1094755750.db2.gz UKPBQZPGCQUVRN-UHFFFAOYSA-N -1 0 348.362 2.743 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001600075747 1094755963 /nfs/dbraw/zinc/75/59/63/1094755963.db2.gz AFLODKJHAFMUHO-UHFFFAOYSA-N -1 0 331.715 2.571 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc(C)c1C#N ZINC001600086163 1094762517 /nfs/dbraw/zinc/76/25/17/1094762517.db2.gz PTAVKBUQXUNWCP-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc(C)c1C#N ZINC001600092609 1094767075 /nfs/dbraw/zinc/76/70/75/1094767075.db2.gz XURJKDAXBGPOTH-QGZVFWFLSA-N -1 0 340.354 2.912 20 30 EFEDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)Cc2cc(C#N)cs2)n1 ZINC001600103752 1094772415 /nfs/dbraw/zinc/77/24/15/1094772415.db2.gz BKERWJFUQBXTPY-UHFFFAOYSA-N -1 0 332.341 2.566 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001600118023 1094782619 /nfs/dbraw/zinc/78/26/19/1094782619.db2.gz BATJMSVSIXELOS-MRXNPFEDSA-N -1 0 333.347 2.886 20 30 EFEDRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2 ZINC001600131781 1094791713 /nfs/dbraw/zinc/79/17/13/1094791713.db2.gz IUBUWBHQLJZPTA-SECBINFHSA-N -1 0 339.351 2.930 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](C)c2ccccc2F)ncc1C#N ZINC001600133895 1094793749 /nfs/dbraw/zinc/79/37/49/1094793749.db2.gz AKMUWKGSKVSMEX-BDJLRTHQSA-N -1 0 342.326 2.815 20 30 EFEDRM Cc1cc2c[nH]nc2c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001600133980 1094793802 /nfs/dbraw/zinc/79/38/02/1094793802.db2.gz CJURYYUHFSAWGL-MRXNPFEDSA-N -1 0 335.319 2.726 20 30 EFEDRM Cc1cc(C)c(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001600160207 1094823262 /nfs/dbraw/zinc/82/32/62/1094823262.db2.gz RTQJNTXHYQGDTJ-UHFFFAOYSA-N -1 0 329.400 2.512 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2cc(C#N)ccc2F)C(=O)[O-])c1 ZINC001600170280 1094835604 /nfs/dbraw/zinc/83/56/04/1094835604.db2.gz QZLCYKZWOKDJIX-MRXNPFEDSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001600172010 1094837484 /nfs/dbraw/zinc/83/74/84/1094837484.db2.gz CPPLWVMJGXWLQB-HNNXBMFYSA-N -1 0 343.427 2.634 20 30 EFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN(CC(=O)[O-])CC(C)C)c1 ZINC001600174489 1094840582 /nfs/dbraw/zinc/84/05/82/1094840582.db2.gz YXJHYIJALNVKOW-UHFFFAOYSA-N -1 0 345.443 2.593 20 30 EFEDRM Cc1cc(C=NN2Cc3ccccc3C2=O)cc(C)c1OCC(=O)[O-] ZINC001600185163 1094850491 /nfs/dbraw/zinc/85/04/91/1094850491.db2.gz JIPUTELHODXDIO-UHFFFAOYSA-N -1 0 338.363 2.757 20 30 EFEDRM Cc1cc(/C=C2\C(=O)c3nccn3[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC001600186605 1094852673 /nfs/dbraw/zinc/85/26/73/1094852673.db2.gz QFCMCDCEBGZLHH-UGMNDJHYSA-N -1 0 326.352 2.804 20 30 EFEDRM Cc1cc(CNC(=O)CSCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600200420 1094870421 /nfs/dbraw/zinc/87/04/21/1094870421.db2.gz XYTICNSMBZDWFS-UHFFFAOYSA-N -1 0 344.392 2.708 20 30 EFEDRM Cc1cc(COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600213077 1094890392 /nfs/dbraw/zinc/89/03/92/1094890392.db2.gz FSCGFYVNHACXJL-AWEZNQCLSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1cc(F)cc2c1ncc(C#N)c2N1CCSC[C@@H](C(=O)[O-])C1 ZINC001600230858 1094905965 /nfs/dbraw/zinc/90/59/65/1094905965.db2.gz GNJYYMJYRKSRCM-LBPRGKRZSA-N -1 0 345.399 2.808 20 30 EFEDRM Cc1cc(N2CCC(C#N)(C(=O)[O-])CC2)nc(-c2cccs2)n1 ZINC001600239140 1094911005 /nfs/dbraw/zinc/91/10/05/1094911005.db2.gz SKKPBWYJQUZEBZ-UHFFFAOYSA-N -1 0 328.397 2.708 20 30 EFEDRM Cc1cc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)ncc1C(=O)[O-] ZINC001600268216 1094930401 /nfs/dbraw/zinc/93/04/01/1094930401.db2.gz DDQPWZPSYJRMMY-OAHLLOKOSA-N -1 0 336.351 2.769 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)oc2c1C(=O)CCC2 ZINC001649247872 1094940036 /nfs/dbraw/zinc/94/00/36/1094940036.db2.gz JAYLWRBFXXCFTI-SECBINFHSA-N -1 0 331.759 2.984 20 30 EFEDRM Cc1cc(OC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c(C)c(C)c1C#N ZINC001600285712 1094945792 /nfs/dbraw/zinc/94/57/92/1094945792.db2.gz PDPZNZSNVWNYJT-UONOGXRCSA-N -1 0 331.368 2.659 20 30 EFEDRM Cc1cc(OCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)ccc1C(C)C ZINC001600288185 1094947458 /nfs/dbraw/zinc/94/74/58/1094947458.db2.gz WJNLMOPDNRHPRN-UHFFFAOYSA-N -1 0 344.411 2.714 20 30 EFEDRM Cc1cc(OCCn2cc(C(=O)[O-])cc(C#N)c2=O)ccc1C(C)C ZINC001600290197 1094949964 /nfs/dbraw/zinc/94/99/64/1094949964.db2.gz KNFPFLTWDBXMSU-UHFFFAOYSA-N -1 0 340.379 2.929 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])s1 ZINC001600292412 1094951700 /nfs/dbraw/zinc/95/17/00/1094951700.db2.gz LLSCIHXDIPJANE-UHFFFAOYSA-N -1 0 337.378 2.589 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2ccc(C#N)c(Cl)c2)oc1C(=O)[O-] ZINC001600300881 1094953475 /nfs/dbraw/zinc/95/34/75/1094953475.db2.gz NBFGSAXVISVEQI-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1cc(SCC(=O)NC2(C(=O)[O-])CCCCC2)ccc1C#N ZINC001600303679 1094955107 /nfs/dbraw/zinc/95/51/07/1094955107.db2.gz WUDBMGJWLJQZPB-UHFFFAOYSA-N -1 0 332.425 2.863 20 30 EFEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])o2)cc1 ZINC001600319453 1094968574 /nfs/dbraw/zinc/96/85/74/1094968574.db2.gz CKONFRQJUSBHSH-UHFFFAOYSA-N -1 0 328.353 2.716 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Nc1cc(C#N)ccc1C ZINC001600328474 1094975535 /nfs/dbraw/zinc/97/55/35/1094975535.db2.gz IKVALCMXGWDTMA-UHFFFAOYSA-N -1 0 341.371 2.799 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001600329386 1094976964 /nfs/dbraw/zinc/97/69/64/1094976964.db2.gz QKLSRNXKWNNDIW-FLVLSHQESA-N -1 0 337.375 2.719 20 30 EFEDRM Cc1ccc(C(=O)CCCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001600330108 1094977629 /nfs/dbraw/zinc/97/76/29/1094977629.db2.gz IFQOSRZBWFKGKW-UHFFFAOYSA-N -1 0 342.395 2.565 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc1C#N ZINC001600343217 1094986251 /nfs/dbraw/zinc/98/62/51/1094986251.db2.gz AXWZVPAISKLIAA-UHFFFAOYSA-N -1 0 334.335 2.553 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC001600360743 1095001322 /nfs/dbraw/zinc/00/13/22/1095001322.db2.gz ZSTXKZVBQOJWGT-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2F)C(=O)[O-])cc1 ZINC001600377071 1095016112 /nfs/dbraw/zinc/01/61/12/1095016112.db2.gz HHLNSFFPKKXPNA-OAHLLOKOSA-N -1 0 326.327 2.604 20 30 EFEDRM Cc1ccc(C[C@H](SCC(=O)N[C@@](C)(C#N)C2CC2)C(=O)[O-])cc1 ZINC001600403671 1095039486 /nfs/dbraw/zinc/03/94/86/1095039486.db2.gz GMZAZBQEQNNSRN-YJBOKZPZSA-N -1 0 346.452 2.532 20 30 EFEDRM Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1C#N ZINC001600414251 1095046831 /nfs/dbraw/zinc/04/68/31/1095046831.db2.gz IZBAJKOEOVRBSJ-UHFFFAOYSA-N -1 0 341.436 2.949 20 30 EFEDRM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN(CC#N)CCC(=O)[O-] ZINC001600427795 1095057288 /nfs/dbraw/zinc/05/72/88/1095057288.db2.gz WLKCWTZBMOKNFM-UHFFFAOYSA-N -1 0 340.427 2.657 20 30 EFEDRM Cc1ccc(NN=Cc2ccc(S(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC001600463097 1095086354 /nfs/dbraw/zinc/08/63/54/1095086354.db2.gz NASOSHYCNIPGAW-UHFFFAOYSA-N -1 0 332.381 2.543 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)CC(C)(C)C)c(C(=O)[O-])c1 ZINC001600475385 1095095910 /nfs/dbraw/zinc/09/59/10/1095095910.db2.gz MODPDTVICAFSEB-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM Cc1ccc(S(=O)(=O)N(CCC#N)CCC(C)C)c(C(=O)[O-])c1 ZINC001600475379 1095097084 /nfs/dbraw/zinc/09/70/84/1095097084.db2.gz MKACTLDZLMHLBP-UHFFFAOYSA-N -1 0 338.429 2.644 20 30 EFEDRM CCO[N-]C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000785357692 1095113846 /nfs/dbraw/zinc/11/38/46/1095113846.db2.gz LNWWFAJEIDQKIB-UHFFFAOYSA-N -1 0 339.351 2.665 20 30 EFEDRM Cc1ccc2ncc(C#N)c(OCC(=O)c3ccc(C(=O)[O-])o3)c2c1 ZINC001600504411 1095117946 /nfs/dbraw/zinc/11/79/46/1095117946.db2.gz USPRKUMYVOQKFE-UHFFFAOYSA-N -1 0 336.303 2.968 20 30 EFEDRM Cc1cccc([C@@H](CC(=O)[O-])/N=C\c2c(O)c(C)ncc2CO)c1 ZINC001600518887 1095129679 /nfs/dbraw/zinc/12/96/79/1095129679.db2.gz VCNIZMCGASVZHW-PADWCVLASA-N -1 0 328.368 2.531 20 30 EFEDRM Cc1ccccc1C(C)(C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600565410 1095168248 /nfs/dbraw/zinc/16/82/48/1095168248.db2.gz AZDKRTDBBCQEPE-UHFFFAOYSA-N -1 0 343.427 2.673 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3ccccc3C(=O)[O-])nc21 ZINC001600601030 1095202439 /nfs/dbraw/zinc/20/24/39/1095202439.db2.gz CBDRZFHGVOTZLN-AWEZNQCLSA-N -1 0 348.362 2.774 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC001600644179 1095232422 /nfs/dbraw/zinc/23/24/22/1095232422.db2.gz VTXYSLMBNSLNCV-UHFFFAOYSA-N -1 0 339.351 2.613 20 30 EFEDRM Cc1csc(-c2cccc(C(=O)N(CC#N)CCC(=O)[O-])c2)n1 ZINC001600645523 1095234048 /nfs/dbraw/zinc/23/40/48/1095234048.db2.gz QYSHQOSZCKEMBN-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N1CCC(C)(C#N)CC1 ZINC001600651006 1095236657 /nfs/dbraw/zinc/23/66/57/1095236657.db2.gz JIKLWYNUBCSRIM-NSHDSACASA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N1CCC(C)(C#N)CC1 ZINC001600651005 1095236878 /nfs/dbraw/zinc/23/68/78/1095236878.db2.gz JIKLWYNUBCSRIM-LLVKDONJSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1nc(-c2ccccc2)c(C(=O)N(CC#N)CCC(=O)[O-])s1 ZINC001600678660 1095253930 /nfs/dbraw/zinc/25/39/30/1095253930.db2.gz RAVFBMBSZHXCNB-UHFFFAOYSA-N -1 0 329.381 2.559 20 30 EFEDRM Cc1nc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)ccc1C#N ZINC001600683138 1095256916 /nfs/dbraw/zinc/25/69/16/1095256916.db2.gz IGTHTQXJJMLQHA-UHFFFAOYSA-N -1 0 327.315 2.522 20 30 EFEDRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)ccc1C#N ZINC001600685096 1095258236 /nfs/dbraw/zinc/25/82/36/1095258236.db2.gz RRJIVCPQZUZMJC-UHFFFAOYSA-N -1 0 332.319 2.760 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001600690150 1095261534 /nfs/dbraw/zinc/26/15/34/1095261534.db2.gz JHMANUPBPJITRD-UHFFFAOYSA-N -1 0 344.352 2.864 20 30 EFEDRM Cc1nc(Cl)cc(N=NCc2ccccc2O[C@@H](C)C(=O)[O-])n1 ZINC001600705153 1095275009 /nfs/dbraw/zinc/27/50/09/1095275009.db2.gz DJJBPNGMPSOGQR-VIFPVBQESA-N -1 0 334.763 2.736 20 30 EFEDRM Cc1nc(NC(=O)c2ccoc2CC(=O)[O-])sc1SCC#N ZINC001600714299 1095283779 /nfs/dbraw/zinc/28/37/79/1095283779.db2.gz NZISVQZYYFSJNL-UHFFFAOYSA-N -1 0 337.382 2.540 20 30 EFEDRM Cc1nc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2o1 ZINC001600725649 1095291111 /nfs/dbraw/zinc/29/11/11/1095291111.db2.gz RUKYBSJTNFQWBN-INIZCTEOSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1ncc(/C=C/C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001600736226 1095299407 /nfs/dbraw/zinc/29/94/07/1095299407.db2.gz KXQMUVBFBFOLFL-AATRIKPKSA-N -1 0 328.349 2.778 20 30 EFEDRM Cc1ncsc1/C=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600760460 1095312397 /nfs/dbraw/zinc/31/23/97/1095312397.db2.gz DHJFXVBFMJADSO-NFAHFFEMSA-N -1 0 328.349 2.706 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600767871 1095318666 /nfs/dbraw/zinc/31/86/66/1095318666.db2.gz KSMMTCLSIJZQGL-UHFFFAOYSA-N -1 0 341.367 2.873 20 30 EFEDRM Cc1nn(C)c2ncc(C=NNc3cccc(F)c3C(=O)[O-])cc12 ZINC001600776297 1095325253 /nfs/dbraw/zinc/32/52/53/1095325253.db2.gz TYAKSWFPYWASIL-UHFFFAOYSA-N -1 0 327.319 2.560 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ccc(C(C)(C)C)nn1 ZINC001600784544 1095329927 /nfs/dbraw/zinc/32/99/27/1095329927.db2.gz OSYYJALRKOTRBG-UHFFFAOYSA-N -1 0 344.419 2.508 20 30 EFEDRM Cc1nsc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1C#N ZINC001600819391 1095353366 /nfs/dbraw/zinc/35/33/66/1095353366.db2.gz CAFKRZGYAFRYOY-UHFFFAOYSA-N -1 0 340.364 2.615 20 30 EFEDRM Cc1nsc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1C#N ZINC001600819357 1095353910 /nfs/dbraw/zinc/35/39/10/1095353910.db2.gz GSZGOJLSPNPTKD-NSHDSACASA-N -1 0 342.424 2.737 20 30 EFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001600822880 1095357618 /nfs/dbraw/zinc/35/76/18/1095357618.db2.gz SWRFLHAUGBGHSI-UHFFFAOYSA-N -1 0 336.307 2.596 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC001600837285 1095369107 /nfs/dbraw/zinc/36/91/07/1095369107.db2.gz ROLUWAMTKKPXKU-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1oc(CNC(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-] ZINC001600851790 1095381513 /nfs/dbraw/zinc/38/15/13/1095381513.db2.gz YPWYEJMZEUSQBM-UHFFFAOYSA-N -1 0 347.302 2.649 20 30 EFEDRM Cc1oc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C(=O)[O-] ZINC001600851451 1095381973 /nfs/dbraw/zinc/38/19/73/1095381973.db2.gz ODARZBIZDFSEFS-JTQLQIEISA-N -1 0 343.339 2.899 20 30 EFEDRM Cc1oc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC001600857154 1095385249 /nfs/dbraw/zinc/38/52/49/1095385249.db2.gz WCGQBAOYPCQLEA-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1sc(Br)c(C(=O)N(CC#N)CCC(=O)[O-])c1C ZINC001600865097 1095388685 /nfs/dbraw/zinc/38/86/85/1095388685.db2.gz NJHQKLQWRPODQC-UHFFFAOYSA-N -1 0 345.218 2.568 20 30 EFEDRM Cc1sc([C@@H]2CCCN2Cc2cc(C#N)ccn2)nc1C(=O)[O-] ZINC001600884702 1095405528 /nfs/dbraw/zinc/40/55/28/1095405528.db2.gz MOBMZIIMTWMNPD-ZDUSSCGKSA-N -1 0 328.397 2.754 20 30 EFEDRM Cc1sc([C@@H]2CCCN2Cc2cncc(C#N)c2)nc1C(=O)[O-] ZINC001600885069 1095407297 /nfs/dbraw/zinc/40/72/97/1095407297.db2.gz UHPAVIGLIUGUBB-ZDUSSCGKSA-N -1 0 328.397 2.754 20 30 EFEDRM Cc1sc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(C#N)c1C ZINC001600887197 1095408809 /nfs/dbraw/zinc/40/88/09/1095408809.db2.gz SXBIHTBBGDJYEU-UHFFFAOYSA-N -1 0 330.365 2.952 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC001600906882 1095418778 /nfs/dbraw/zinc/41/87/78/1095418778.db2.gz SUIPMRVPCVMEQA-UHFFFAOYSA-N -1 0 327.340 2.658 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1Cc1nc(C#N)cs1 ZINC001600907948 1095421157 /nfs/dbraw/zinc/42/11/57/1095421157.db2.gz CHEZNFKFRZQWJS-ZDUSSCGKSA-N -1 0 330.413 2.779 20 30 EFEDRM Cn1c(CN=Nc2nnc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC001600911493 1095422145 /nfs/dbraw/zinc/42/21/45/1095422145.db2.gz HNHMGQDVRJSSOP-UHFFFAOYSA-N -1 0 327.369 2.688 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 ZINC001600912533 1095424132 /nfs/dbraw/zinc/42/41/32/1095424132.db2.gz ZNUUIKIEBWIWLB-INIZCTEOSA-N -1 0 337.379 2.962 20 30 EFEDRM Cn1cc(C=NNCc2ccc(Br)cc2)cc1C(=O)[O-] ZINC001600945014 1095440269 /nfs/dbraw/zinc/44/02/69/1095440269.db2.gz RGZPCOLPQZZRFZ-UHFFFAOYSA-N -1 0 336.189 2.610 20 30 EFEDRM Cn1cc(/C=C\C(=O)c2c(Cl)nc3sccn32)cc1C(=O)[O-] ZINC001600945910 1095440569 /nfs/dbraw/zinc/44/05/69/1095440569.db2.gz NATRKWOGPVYEAH-IHWYPQMZSA-N -1 0 335.772 2.982 20 30 EFEDRM Cn1ncc(C#N)c1N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001601019866 1095468500 /nfs/dbraw/zinc/46/85/00/1095468500.db2.gz UKGHMFZMGDEFRF-UHFFFAOYSA-N -1 0 349.394 2.855 20 30 EFEDRM Cn1nc2ccccc2c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001601019903 1095468879 /nfs/dbraw/zinc/46/88/79/1095468879.db2.gz RHFBFSXGFUHJGF-UHFFFAOYSA-N -1 0 335.319 2.500 20 30 EFEDRM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601047088 1095477814 /nfs/dbraw/zinc/47/78/14/1095477814.db2.gz IIMNKVLDVQGBPE-VNHYZAJKSA-N -1 0 336.347 2.598 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CC[C@@H]2CCc3ccccc32)CC1 ZINC001601048059 1095479589 /nfs/dbraw/zinc/47/95/89/1095479589.db2.gz BYNKZOCZYXYXBW-HNNXBMFYSA-N -1 0 326.396 2.714 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001601048699 1095479623 /nfs/dbraw/zinc/47/96/23/1095479623.db2.gz GUQXJXMQDKWDQJ-GXTWGEPZSA-N -1 0 341.392 2.753 20 30 EFEDRM N#C[C@H](Cc1ccc(F)cc1F)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001601048440 1095479794 /nfs/dbraw/zinc/47/97/94/1095479794.db2.gz LTJMSMBFEOCLJD-AWEZNQCLSA-N -1 0 345.301 2.884 20 30 EFEDRM N#CC1(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC2(CC2)C1 ZINC001601050270 1095479858 /nfs/dbraw/zinc/47/98/58/1095479858.db2.gz KEKOJHPOWDBBGI-LLVKDONJSA-N -1 0 345.424 2.631 20 30 EFEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001601048563 1095480008 /nfs/dbraw/zinc/48/00/08/1095480008.db2.gz FSIWVAHMIGSBQU-IBGZPJMESA-N -1 0 335.407 2.767 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001601049157 1095480050 /nfs/dbraw/zinc/48/00/50/1095480050.db2.gz VAKYDBSYEOQNOE-CYBMUJFWSA-N -1 0 348.362 2.972 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001601049718 1095480164 /nfs/dbraw/zinc/48/01/64/1095480164.db2.gz PPIFRTRVWGSJMU-HOTGVXAUSA-N -1 0 341.342 2.886 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001601049115 1095480216 /nfs/dbraw/zinc/48/02/16/1095480216.db2.gz UNTSPODOCWUXNS-GOSISDBHSA-N -1 0 336.391 2.702 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC001601049846 1095480224 /nfs/dbraw/zinc/48/02/24/1095480224.db2.gz WXQHTEGABLWDTE-GJZGRUSLSA-N -1 0 330.359 2.536 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 ZINC001601051643 1095481298 /nfs/dbraw/zinc/48/12/98/1095481298.db2.gz SKIAXXMGNHPGCR-LLVKDONJSA-N -1 0 347.337 2.507 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2c(F)cccc2Br)CC1 ZINC001601052135 1095481341 /nfs/dbraw/zinc/48/13/41/1095481341.db2.gz KTZRFNSOOGJYQL-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001601052232 1095481352 /nfs/dbraw/zinc/48/13/52/1095481352.db2.gz NLGAFLNYSGSCMN-UONOGXRCSA-N -1 0 347.802 2.596 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC001601052820 1095481402 /nfs/dbraw/zinc/48/14/02/1095481402.db2.gz XVDAXZYLRGDELP-UHFFFAOYSA-N -1 0 347.321 2.810 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](C2CCC2)C2CCCC2)CC1 ZINC001601051422 1095481448 /nfs/dbraw/zinc/48/14/48/1095481448.db2.gz OSHSTMKKXRLHBW-HNNXBMFYSA-N -1 0 333.432 2.745 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CC12CCCC2 ZINC001601050702 1095481577 /nfs/dbraw/zinc/48/15/77/1095481577.db2.gz GTENGCHEHPUQRE-BMLIUANNSA-N -1 0 345.424 2.745 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC001601051408 1095481655 /nfs/dbraw/zinc/48/16/55/1095481655.db2.gz OIEIKCCMFBLLFS-UHFFFAOYSA-N -1 0 349.818 2.673 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC001601051627 1095481688 /nfs/dbraw/zinc/48/16/88/1095481688.db2.gz SEHAVVBXTDLSKS-ZDUSSCGKSA-N -1 0 333.413 2.599 20 30 EFEDRM N#C[C@]1(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC2CCC1CC2 ZINC001601050830 1095481709 /nfs/dbraw/zinc/48/17/09/1095481709.db2.gz OZPRIFCVIMORAD-NQMJSUOBSA-N -1 0 347.802 2.769 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001601052069 1095481762 /nfs/dbraw/zinc/48/17/62/1095481762.db2.gz JIGIBRBQSWMUOD-CYBMUJFWSA-N -1 0 343.210 2.717 20 30 EFEDRM N#C[C@]1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC12CCCC2 ZINC001601050891 1095481863 /nfs/dbraw/zinc/48/18/63/1095481863.db2.gz SPTKBRCRADAHJN-INIZCTEOSA-N -1 0 329.312 2.706 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC001601055373 1095482651 /nfs/dbraw/zinc/48/26/51/1095482651.db2.gz JILQYJMZMFVHGN-UHFFFAOYSA-N -1 0 337.788 2.713 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC001601054934 1095482723 /nfs/dbraw/zinc/48/27/23/1095482723.db2.gz BWILTFZOQQMWJI-UHFFFAOYSA-N -1 0 327.167 2.824 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3c(cncc3Cl)s2)CC1 ZINC001601055517 1095482923 /nfs/dbraw/zinc/48/29/23/1095482923.db2.gz MMBSTJIBVGKHSO-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC001601053784 1095483330 /nfs/dbraw/zinc/48/33/30/1095483330.db2.gz SMIKXFNFJJMNHQ-UHFFFAOYSA-N -1 0 325.271 2.727 20 30 EFEDRM N#CC1(CC(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC001601055129 1095483381 /nfs/dbraw/zinc/48/33/81/1095483381.db2.gz SBDQPZOYTZDFBS-LBPRGKRZSA-N -1 0 326.274 2.798 20 30 EFEDRM N#CC1(CS(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC001601058199 1095484562 /nfs/dbraw/zinc/48/45/62/1095484562.db2.gz OVJAGDJWMGEYGX-UHFFFAOYSA-N -1 0 331.349 2.550 20 30 EFEDRM N#CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC001601056648 1095484652 /nfs/dbraw/zinc/48/46/52/1095484652.db2.gz SVXGLJNGWROVOY-UHFFFAOYSA-N -1 0 331.372 2.746 20 30 EFEDRM N#CC1(CNC(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC001601056582 1095484782 /nfs/dbraw/zinc/48/47/82/1095484782.db2.gz POSTWGAWHKIHAG-NSHDSACASA-N -1 0 341.289 2.591 20 30 EFEDRM N#CC1(c2ccc(COC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)cc2)CC1 ZINC001601059025 1095484837 /nfs/dbraw/zinc/48/48/37/1095484837.db2.gz VXGHYUHRUAKFEE-GOEBONIOSA-N -1 0 343.379 2.555 20 30 EFEDRM N#CC1(c2ccc(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC001601058362 1095485010 /nfs/dbraw/zinc/48/50/10/1095485010.db2.gz LRCPZSSIPYGMBN-UHFFFAOYSA-N -1 0 334.375 2.969 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001601058576 1095485034 /nfs/dbraw/zinc/48/50/34/1095485034.db2.gz PFRIULZLDHYOFL-SREVYHEPSA-N -1 0 337.379 2.830 20 30 EFEDRM N#CC1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC001601060573 1095486039 /nfs/dbraw/zinc/48/60/39/1095486039.db2.gz DFUIVRONNCJLAV-UHFFFAOYSA-N -1 0 342.376 2.866 20 30 EFEDRM N#CC[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001601060370 1095486132 /nfs/dbraw/zinc/48/61/32/1095486132.db2.gz DTNYNYCWEPGFQW-IAGOWNOFSA-N -1 0 340.354 2.635 20 30 EFEDRM N#CC[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC001601061621 1095486559 /nfs/dbraw/zinc/48/65/59/1095486559.db2.gz YLWJSSNNPVZDGZ-ZDUSSCGKSA-N -1 0 329.381 2.796 20 30 EFEDRM N#CC[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001601061643 1095486660 /nfs/dbraw/zinc/48/66/60/1095486660.db2.gz YXYLZGZQEKMHER-MRXNPFEDSA-N -1 0 349.390 2.752 20 30 EFEDRM N#CC[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1)c1ccccc1 ZINC001601061642 1095486705 /nfs/dbraw/zinc/48/67/05/1095486705.db2.gz YXYLZGZQEKMHER-INIZCTEOSA-N -1 0 349.390 2.752 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001601065606 1095488021 /nfs/dbraw/zinc/48/80/21/1095488021.db2.gz PDKPPVRAAYZIOM-AATRIKPKSA-N -1 0 341.323 2.707 20 30 EFEDRM N#CCCCC(=O)OCc1ccc(C(=O)[O-])cc1Br ZINC001601065936 1095488139 /nfs/dbraw/zinc/48/81/39/1095488139.db2.gz AOEUPIQGKOWQHP-UHFFFAOYSA-N -1 0 326.146 2.884 20 30 EFEDRM N#CCCCc1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001601066487 1095488393 /nfs/dbraw/zinc/48/83/93/1095488393.db2.gz FJXUOMORDFBGHA-AWEZNQCLSA-N -1 0 345.447 2.616 20 30 EFEDRM N#CCC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001601066231 1095488461 /nfs/dbraw/zinc/48/84/61/1095488461.db2.gz HZGSFVSKQISFOE-MTSZKFMLSA-N -1 0 341.411 2.830 20 30 EFEDRM N#CCCC[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001601066859 1095488489 /nfs/dbraw/zinc/48/84/89/1095488489.db2.gz QSVNERFBEMKKFZ-OLMMMNRUSA-N -1 0 341.411 2.974 20 30 EFEDRM N#CCCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC001601065987 1095488551 /nfs/dbraw/zinc/48/85/51/1095488551.db2.gz BJLWIZOICWYERT-BBWFWOEESA-N -1 0 344.411 2.808 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c2ccccc21 ZINC001601066935 1095488590 /nfs/dbraw/zinc/48/85/90/1095488590.db2.gz MEUWQFZUVHGXSB-INIZCTEOSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(Cl)c(Br)c1 ZINC001601072915 1095489364 /nfs/dbraw/zinc/48/93/64/1095489364.db2.gz SGMYEFXSLWZFJK-UHFFFAOYSA-N -1 0 331.597 2.903 20 30 EFEDRM N#CCCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001601067130 1095489906 /nfs/dbraw/zinc/48/99/06/1095489906.db2.gz UHQGWOHFQQMLQB-YESZJQIVSA-N -1 0 344.411 2.950 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC001601072118 1095490014 /nfs/dbraw/zinc/49/00/14/1095490014.db2.gz KBZWREAMEUFTQV-QGZVFWFLSA-N -1 0 330.384 2.514 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)CCc1ccc(F)c2ccccc12 ZINC001601070912 1095490099 /nfs/dbraw/zinc/49/00/99/1095490099.db2.gz LKZZBFOZBYQZQT-UHFFFAOYSA-N -1 0 328.343 2.738 20 30 EFEDRM N#CCOc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001601073773 1095491132 /nfs/dbraw/zinc/49/11/32/1095491132.db2.gz ABFMVUTZAMQYBE-CYBMUJFWSA-N -1 0 331.372 2.698 20 30 EFEDRM N#CCSc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1 ZINC001601075529 1095491595 /nfs/dbraw/zinc/49/15/95/1095491595.db2.gz NOSYNSJIKBNQSW-GBOPCIDUSA-N -1 0 330.409 2.531 20 30 EFEDRM N#CCSCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001601075474 1095491860 /nfs/dbraw/zinc/49/18/60/1095491860.db2.gz GBRIGCBPLGEKTK-UHFFFAOYSA-N -1 0 347.421 2.627 20 30 EFEDRM N#CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001601073839 1095491955 /nfs/dbraw/zinc/49/19/55/1095491955.db2.gz BJUOXPHXRVGBHB-APWZRJJASA-N -1 0 336.347 2.786 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)NCCCCCCC(=O)[O-])C2 ZINC001601078446 1095492738 /nfs/dbraw/zinc/49/27/38/1095492738.db2.gz XOSVPUKOJBPABJ-UHFFFAOYSA-N -1 0 343.427 2.855 20 30 EFEDRM N#CCc1cccc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)n1 ZINC001601078022 1095493008 /nfs/dbraw/zinc/49/30/08/1095493008.db2.gz NGJNYVOEFJOUSG-UHFFFAOYSA-N -1 0 330.388 2.694 20 30 EFEDRM N#CCOc1cccc(CC(=O)OCCc2csc(C(=O)[O-])c2)c1 ZINC001601076181 1095493139 /nfs/dbraw/zinc/49/31/39/1095493139.db2.gz WPQDOSHNIVAKPG-UHFFFAOYSA-N -1 0 345.376 2.677 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001601078387 1095493285 /nfs/dbraw/zinc/49/32/85/1095493285.db2.gz KLWVIWBDLVGMAF-UHFFFAOYSA-N -1 0 338.363 2.787 20 30 EFEDRM N#CCc1ccccc1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001601078401 1095493403 /nfs/dbraw/zinc/49/34/03/1095493403.db2.gz KZNXCNMCYRTNAX-UHFFFAOYSA-N -1 0 338.338 2.788 20 30 EFEDRM N#CCc1cccc(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001601077747 1095493413 /nfs/dbraw/zinc/49/34/13/1095493413.db2.gz JHPTXDUABODPCV-UHFFFAOYSA-N -1 0 336.413 2.529 20 30 EFEDRM N#CCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001601077820 1095493422 /nfs/dbraw/zinc/49/34/22/1095493422.db2.gz KVKXZIZBEYMARB-UHFFFAOYSA-N -1 0 327.315 2.912 20 30 EFEDRM N#CCc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC001601076752 1095493430 /nfs/dbraw/zinc/49/34/30/1095493430.db2.gz QSXKLFWCANHSMO-UHFFFAOYSA-N -1 0 327.365 2.717 20 30 EFEDRM N#Cc1c(Cl)nsc1N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001601080597 1095494461 /nfs/dbraw/zinc/49/44/61/1095494461.db2.gz FYVLVGYBQQOUHS-UHFFFAOYSA-N -1 0 335.772 2.765 20 30 EFEDRM N#Cc1c(COc2cccnc2Br)cccc1C(=O)[O-] ZINC001601080754 1095494648 /nfs/dbraw/zinc/49/46/48/1095494648.db2.gz SWZUSSJCFMRWJT-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1c(COC(=O)c2nc3c(s2)CCC3)cccc1C(=O)[O-] ZINC001601080324 1095494699 /nfs/dbraw/zinc/49/46/99/1095494699.db2.gz IXFVXUANABIIPY-UHFFFAOYSA-N -1 0 328.349 2.559 20 30 EFEDRM N#CCc1ccsc1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001601078959 1095494794 /nfs/dbraw/zinc/49/47/94/1095494794.db2.gz KVSXAHNYYSRGMB-UHFFFAOYSA-N -1 0 328.393 2.584 20 30 EFEDRM N#CCn1c(C(=O)Nc2cccc(C(=O)[O-])c2N)cc2ccccc21 ZINC001601079094 1095494876 /nfs/dbraw/zinc/49/48/76/1095494876.db2.gz MSZFGHCRKSBCHC-UHFFFAOYSA-N -1 0 334.335 2.698 20 30 EFEDRM N#CCn1c(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc2ccccc21 ZINC001601078841 1095495043 /nfs/dbraw/zinc/49/50/43/1095495043.db2.gz DIJXTHJSCCIHLA-OAHLLOKOSA-N -1 0 339.395 2.928 20 30 EFEDRM N#Cc1c(F)cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1F ZINC001601080598 1095495176 /nfs/dbraw/zinc/49/51/76/1095495176.db2.gz FZNCBDQLMGFINT-UHFFFAOYSA-N -1 0 336.338 2.991 20 30 EFEDRM N#Cc1c(CN2CCC(O)(c3ccccc3)CC2)cccc1C(=O)[O-] ZINC001601082045 1095496357 /nfs/dbraw/zinc/49/63/57/1095496357.db2.gz UKYIBFJPQUEMSJ-UHFFFAOYSA-N -1 0 336.391 2.740 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F ZINC001601081619 1095496409 /nfs/dbraw/zinc/49/64/09/1095496409.db2.gz XYEJOOCPURAAJT-UHFFFAOYSA-N -1 0 344.317 2.606 20 30 EFEDRM N#Cc1c(CN2c3ccccc3CC[C@@H]2CCO)cccc1C(=O)[O-] ZINC001601080943 1095496491 /nfs/dbraw/zinc/49/64/91/1095496491.db2.gz BVOBVOHDOUKPGI-MRXNPFEDSA-N -1 0 336.391 2.960 20 30 EFEDRM N#Cc1c(N)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC001601082892 1095496523 /nfs/dbraw/zinc/49/65/23/1095496523.db2.gz UGXXTAUAVMUBQL-UHFFFAOYSA-N -1 0 333.706 2.883 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1F ZINC001601081214 1095496551 /nfs/dbraw/zinc/49/65/51/1095496551.db2.gz QGPQLWOIQONMCO-UHFFFAOYSA-N -1 0 337.307 2.918 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001601082300 1095496599 /nfs/dbraw/zinc/49/65/99/1095496599.db2.gz XSQJCFUSFNUPBY-UHFFFAOYSA-N -1 0 325.349 2.729 20 30 EFEDRM N#Cc1c(CN2CCN(c3cccs3)CC2)cccc1C(=O)[O-] ZINC001601081782 1095496613 /nfs/dbraw/zinc/49/66/13/1095496613.db2.gz KRQPGFXDYXOCEF-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM N#Cc1c(COC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cccc1C(=O)[O-] ZINC001601083668 1095497559 /nfs/dbraw/zinc/49/75/59/1095497559.db2.gz NGMBCPXHOQRLRD-BBRMVZONSA-N -1 0 329.352 2.647 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)NCC3(CC(=O)[O-])CCCC3)ccc12 ZINC001601084865 1095497613 /nfs/dbraw/zinc/49/76/13/1095497613.db2.gz HEQFADGVLWCAKE-UHFFFAOYSA-N -1 0 325.368 2.804 20 30 EFEDRM N#Cc1c(COC(=O)[C@H]2CCNc3ccccc32)cccc1C(=O)[O-] ZINC001601083674 1095497858 /nfs/dbraw/zinc/49/78/58/1095497858.db2.gz NIXPALSUUHJEPV-HNNXBMFYSA-N -1 0 336.347 2.899 20 30 EFEDRM N#Cc1c(COC(=O)C[C@H]2CC[C@H](C3CC3)O2)cccc1C(=O)[O-] ZINC001601083670 1095497974 /nfs/dbraw/zinc/49/79/74/1095497974.db2.gz NGMBCPXHOQRLRD-CZUORRHYSA-N -1 0 329.352 2.647 20 30 EFEDRM N#Cc1cc(Br)cc(COC(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001601084921 1095498023 /nfs/dbraw/zinc/49/80/23/1095498023.db2.gz IJFDOPFBGRWFRL-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC001601086803 1095499234 /nfs/dbraw/zinc/49/92/34/1095499234.db2.gz JHZSTGDSOISQLF-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccc1F ZINC001601086183 1095499311 /nfs/dbraw/zinc/49/93/11/1095499311.db2.gz BPTBTNUQLAYVBG-UHFFFAOYSA-N -1 0 331.328 2.982 20 30 EFEDRM N#Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1Cl ZINC001601085640 1095499441 /nfs/dbraw/zinc/49/94/41/1095499441.db2.gz GTSRRUDCJDQJHA-INIZCTEOSA-N -1 0 340.766 2.863 20 30 EFEDRM N#Cc1cc(F)c(C(F)(F)F)cc1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001601088173 1095501174 /nfs/dbraw/zinc/50/11/74/1095501174.db2.gz PVXHHPQBEKRGBE-UHFFFAOYSA-N -1 0 341.264 2.911 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)ccc1C1CC1 ZINC001601090706 1095502342 /nfs/dbraw/zinc/50/23/42/1095502342.db2.gz PDFFOHJMNFJUAV-IAISJRAMSA-N -1 0 325.368 2.810 20 30 EFEDRM N#Cc1cc2c(nc1OCC(=O)c1ccc(C(=O)[O-])o1)CCCCC2 ZINC001601091670 1095502399 /nfs/dbraw/zinc/50/23/99/1095502399.db2.gz XQLHZEIUGGKADJ-UHFFFAOYSA-N -1 0 340.335 2.775 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001601091109 1095502740 /nfs/dbraw/zinc/50/27/40/1095502740.db2.gz NIGVKCUVYFBNAP-UHFFFAOYSA-N -1 0 339.307 2.564 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001601092705 1095503724 /nfs/dbraw/zinc/50/37/24/1095503724.db2.gz JWDADNIUEKGPBF-WAYWQWQTSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1Cl ZINC001601093270 1095503818 /nfs/dbraw/zinc/50/38/18/1095503818.db2.gz ZJKFUOWQSRULTF-IPYPFGDCSA-N -1 0 332.787 2.927 20 30 EFEDRM N#Cc1ccc(Br)c(COC(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001601093397 1095503834 /nfs/dbraw/zinc/50/38/34/1095503834.db2.gz XLTJTFMPCCGOMR-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC001601093619 1095504263 /nfs/dbraw/zinc/50/42/63/1095504263.db2.gz CIMXUGSDNYEPON-HNNXBMFYSA-N -1 0 340.354 2.903 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1Cl ZINC001601092662 1095504331 /nfs/dbraw/zinc/50/43/31/1095504331.db2.gz QUKYWOXIHMKARK-HNNXBMFYSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)s1 ZINC001601093976 1095504573 /nfs/dbraw/zinc/50/45/73/1095504573.db2.gz DEOASEMLBWCNDB-ZETCQYMHSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1ccc(C(=O)OCc2cc(Br)ccc2C(=O)[O-])[nH]1 ZINC001601094526 1095505282 /nfs/dbraw/zinc/50/52/82/1095505282.db2.gz MTLMFRBYIRBNTH-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)nc1Cl ZINC001601094180 1095507135 /nfs/dbraw/zinc/50/71/35/1095507135.db2.gz OQUQGLCGIREXMG-SNVBAGLBSA-N -1 0 335.772 2.614 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccnc(Cl)c2)C(=O)[O-])cc1 ZINC001601095734 1095507231 /nfs/dbraw/zinc/50/72/31/1095507231.db2.gz ANYRBSFCNRAWSH-QQNRWZHASA-N -1 0 342.738 2.989 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)nc1Cl ZINC001601094178 1095507266 /nfs/dbraw/zinc/50/72/66/1095507266.db2.gz OQUQGLCGIREXMG-JTQLQIEISA-N -1 0 335.772 2.614 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCOC3(CCCC3)C2)C(=O)[O-])cc1 ZINC001601096553 1095508130 /nfs/dbraw/zinc/50/81/30/1095508130.db2.gz XFDHQRIVWFYLDC-JKSUJKDBSA-N -1 0 343.379 2.967 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1 ZINC001601096575 1095508174 /nfs/dbraw/zinc/50/81/74/1095508174.db2.gz YDXQBJUBDCKOJY-CQSZACIVSA-N -1 0 348.717 2.721 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CC2(C(F)(F)F)CC2)C(=O)[O-])cc1 ZINC001601095834 1095508430 /nfs/dbraw/zinc/50/84/30/1095508430.db2.gz DJPCAUIYNBYSMX-LBPRGKRZSA-N -1 0 327.258 2.960 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCNc3ccccc32)C(=O)[O-])cc1 ZINC001601095976 1095508732 /nfs/dbraw/zinc/50/87/32/1095508732.db2.gz JETCLCGLXJYQFZ-NVXWUHKLSA-N -1 0 336.347 2.827 20 30 EFEDRM N#Cc1ccc([C@H]2CN(Cc3cc(C(=O)[O-])ccc3F)CCO2)cc1 ZINC001601097844 1095509751 /nfs/dbraw/zinc/50/97/51/1095509751.db2.gz FZFSSOKIJYHSFZ-GOSISDBHSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001601097463 1095510060 /nfs/dbraw/zinc/51/00/60/1095510060.db2.gz GAFSZNHAWHVNIO-UHFFFAOYSA-N -1 0 327.311 2.863 20 30 EFEDRM N#Cc1ccc(C2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)nc1 ZINC001601097833 1095510190 /nfs/dbraw/zinc/51/01/90/1095510190.db2.gz FOEPUGCMPMLNPI-UHFFFAOYSA-N -1 0 346.390 2.903 20 30 EFEDRM N#Cc1ccc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC001601097657 1095510388 /nfs/dbraw/zinc/51/03/88/1095510388.db2.gz BWLHIWVJLDIPPR-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1ccc(CC(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601099209 1095510415 /nfs/dbraw/zinc/51/04/15/1095510415.db2.gz HWKDJSAQVLRTPT-INIZCTEOSA-N -1 0 343.766 2.993 20 30 EFEDRM N#Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001601097798 1095510532 /nfs/dbraw/zinc/51/05/32/1095510532.db2.gz LLDFOTJWOPHPFN-UHFFFAOYSA-N -1 0 349.390 2.860 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001601100395 1095511373 /nfs/dbraw/zinc/51/13/73/1095511373.db2.gz ZWJKKJBYWJSYSS-UHFFFAOYSA-N -1 0 331.331 2.986 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)CC2)cc1 ZINC001601099354 1095511503 /nfs/dbraw/zinc/51/15/03/1095511503.db2.gz NLHOFJOPDAHSQX-UHFFFAOYSA-N -1 0 346.386 2.873 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3c(c2)CCOC3)C(=O)[O-])cc1 ZINC001601100111 1095511880 /nfs/dbraw/zinc/51/18/80/1095511880.db2.gz ZVQJLDXQMIATKW-KRWDZBQOSA-N -1 0 337.331 2.614 20 30 EFEDRM N#Cc1ccc([C@H](Sc2nnc(-c3ccncc3)o2)C(=O)[O-])cc1 ZINC001601100019 1095512131 /nfs/dbraw/zinc/51/21/31/1095512131.db2.gz YUKNDGCYUKPQOM-ZDUSSCGKSA-N -1 0 338.348 2.921 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnc(-c3ccncc3)o2)C(=O)[O-])cc1 ZINC001601100018 1095512212 /nfs/dbraw/zinc/51/22/12/1095512212.db2.gz YUKNDGCYUKPQOM-CYBMUJFWSA-N -1 0 338.348 2.921 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3ccccc3[nH]c2=O)C(=O)[O-])cc1 ZINC001601099643 1095512345 /nfs/dbraw/zinc/51/23/45/1095512345.db2.gz SLPCHUORROQKGX-INIZCTEOSA-N -1 0 348.314 2.795 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)s1 ZINC001601101379 1095513083 /nfs/dbraw/zinc/51/30/83/1095513083.db2.gz NCVDCMLZKWFBES-UHFFFAOYSA-N -1 0 337.307 2.918 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001601103311 1095513199 /nfs/dbraw/zinc/51/31/99/1095513199.db2.gz LVIGAZVAPGCYHP-OAHLLOKOSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001601103219 1095513278 /nfs/dbraw/zinc/51/32/78/1095513278.db2.gz JHLWRGAAEFEDGD-OAHLLOKOSA-N -1 0 346.433 2.795 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001601102534 1095513404 /nfs/dbraw/zinc/51/34/04/1095513404.db2.gz GIXPEGPOVQQSHB-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM N#Cc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC001601101380 1095513474 /nfs/dbraw/zinc/51/34/74/1095513474.db2.gz NDOMLMRUIRLCEZ-UHFFFAOYSA-N -1 0 332.718 2.979 20 30 EFEDRM N#Cc1ccc(CSCc2noc(CCCC(=O)[O-])n2)cc1F ZINC001601103210 1095513493 /nfs/dbraw/zinc/51/34/93/1095513493.db2.gz IUEBMCXDCHPZNW-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM N#Cc1ccc(F)c(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001601102474 1095513662 /nfs/dbraw/zinc/51/36/62/1095513662.db2.gz DLCNOANHOBFMJU-UHFFFAOYSA-N -1 0 339.326 2.621 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC001601101669 1095513945 /nfs/dbraw/zinc/51/39/45/1095513945.db2.gz ZATPGJHKERHUDC-UHFFFAOYSA-N -1 0 345.380 2.795 20 30 EFEDRM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)o1 ZINC001601101539 1095514022 /nfs/dbraw/zinc/51/40/22/1095514022.db2.gz CKYUPDNQDLXBPX-ZDUSSCGKSA-N -1 0 340.257 2.965 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC001601106620 1095514701 /nfs/dbraw/zinc/51/47/01/1095514701.db2.gz YNZPFLLQLLGHOA-UHFFFAOYSA-N -1 0 339.370 2.718 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601103654 1095515211 /nfs/dbraw/zinc/51/52/11/1095515211.db2.gz VCDHKSYUSPXHQY-FPCVCCKLSA-N -1 0 345.420 2.834 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001601106618 1095515296 /nfs/dbraw/zinc/51/52/96/1095515296.db2.gz WLCOPONJZGVZIM-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001601104233 1095515339 /nfs/dbraw/zinc/51/53/39/1095515339.db2.gz ZOJLKEWJMMJTRJ-WCQYABFASA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC001601103519 1095515434 /nfs/dbraw/zinc/51/54/34/1095515434.db2.gz SFMMYOGQYGAHBI-INIZCTEOSA-N -1 0 340.766 2.863 20 30 EFEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001601103833 1095515500 /nfs/dbraw/zinc/51/55/00/1095515500.db2.gz QCXGOKJTOWIHIY-UHFFFAOYSA-N -1 0 343.788 2.565 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001601107061 1095516115 /nfs/dbraw/zinc/51/61/15/1095516115.db2.gz QJCOPKFDHDWOOV-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM N#Cc1ccc(OC2CCN(Cc3nc(C(=O)[O-])cs3)CC2)cc1 ZINC001601109397 1095516326 /nfs/dbraw/zinc/51/63/26/1095516326.db2.gz RYNRXFCPMDMXOO-UHFFFAOYSA-N -1 0 343.408 2.756 20 30 EFEDRM N#Cc1ccc(NC(=S)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1Cl ZINC001601108203 1095516732 /nfs/dbraw/zinc/51/67/32/1095516732.db2.gz GHBUDSQHSIKKFN-VPJDZLOFSA-N -1 0 335.816 2.751 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)c2)cc1 ZINC001601108945 1095516900 /nfs/dbraw/zinc/51/69/00/1095516900.db2.gz WZYZUHDELJSHCO-QGZVFWFLSA-N -1 0 335.363 2.895 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC001601108511 1095516926 /nfs/dbraw/zinc/51/69/26/1095516926.db2.gz IPPCDAASBMVDIP-SJORKVTESA-N -1 0 335.363 2.895 20 30 EFEDRM N#Cc1ccc(NCC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001601108076 1095516990 /nfs/dbraw/zinc/51/69/90/1095516990.db2.gz AHHTUNDYAHLACQ-UHFFFAOYSA-N -1 0 329.400 2.512 20 30 EFEDRM N#Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001601109398 1095517059 /nfs/dbraw/zinc/51/70/59/1095517059.db2.gz RZRMBABTSATVQM-UHFFFAOYSA-N -1 0 340.335 2.533 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC001601106830 1095517135 /nfs/dbraw/zinc/51/71/35/1095517135.db2.gz GEDIRTHAIJEHNJ-DLBZAZTESA-N -1 0 335.363 2.797 20 30 EFEDRM N#Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601107215 1095517150 /nfs/dbraw/zinc/51/71/50/1095517150.db2.gz HBIGNAPUGFPKRI-JCRCQARHSA-N -1 0 333.775 2.832 20 30 EFEDRM N#Cc1ccc(SCC(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001601113455 1095517780 /nfs/dbraw/zinc/51/77/80/1095517780.db2.gz FHHRDDGOIFQWRM-UHFFFAOYSA-N -1 0 346.330 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])c(Cl)c1 ZINC001601113405 1095517810 /nfs/dbraw/zinc/51/78/10/1095517810.db2.gz BXMXYVWBZTXFDL-UHFFFAOYSA-N -1 0 343.769 2.739 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c(C(=O)[O-])c1 ZINC001601111850 1095518052 /nfs/dbraw/zinc/51/80/52/1095518052.db2.gz JRRWBNKLAQACFR-UHFFFAOYSA-N -1 0 348.424 2.601 20 30 EFEDRM N#Cc1ccc(OCCOC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001601109729 1095518395 /nfs/dbraw/zinc/51/83/95/1095518395.db2.gz KFTXKOXRSBNDOC-UHFFFAOYSA-N -1 0 331.368 2.905 20 30 EFEDRM N#Cc1ccc(OCC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001601110292 1095518434 /nfs/dbraw/zinc/51/84/34/1095518434.db2.gz RBUBMPPKXVVOPB-QGZVFWFLSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1cccc(C#N)c1N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001601114992 1095519637 /nfs/dbraw/zinc/51/96/37/1095519637.db2.gz JWPBLTSMSJXJIV-XOYHFGRZSA-N -1 0 327.409 2.971 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C2 ZINC001601113901 1095519723 /nfs/dbraw/zinc/51/97/23/1095519723.db2.gz DAWGUPSLIMJVHQ-CYBMUJFWSA-N -1 0 327.365 2.607 20 30 EFEDRM N#Cc1cccc(C#N)c1N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001601114991 1095519835 /nfs/dbraw/zinc/51/98/35/1095519835.db2.gz JWPBLTSMSJXJIV-UUCFBXCCSA-N -1 0 327.409 2.971 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001601114532 1095519926 /nfs/dbraw/zinc/51/99/26/1095519926.db2.gz UQRXTDKHGSPGTF-GOSISDBHSA-N -1 0 349.390 2.864 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C2 ZINC001601115076 1095520046 /nfs/dbraw/zinc/52/00/46/1095520046.db2.gz JICGFZRGDRVJIT-UHFFFAOYSA-N -1 0 325.299 2.943 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001601114296 1095520161 /nfs/dbraw/zinc/52/01/61/1095520161.db2.gz AAIHRLQARSJEEV-NVXWUHKLSA-N -1 0 341.411 2.736 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001601114624 1095520325 /nfs/dbraw/zinc/52/03/25/1095520325.db2.gz VFRUOGPBOXYNKJ-VHSXEESVSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)n1 ZINC001601116899 1095520954 /nfs/dbraw/zinc/52/09/54/1095520954.db2.gz SQMOQCIDNALGIF-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CCOc2ccccc2)C(=O)[O-])c1 ZINC001601117352 1095521017 /nfs/dbraw/zinc/52/10/17/1095521017.db2.gz JOSMHUWHOIOFTB-QGZVFWFLSA-N -1 0 325.320 2.696 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001601115840 1095521264 /nfs/dbraw/zinc/52/12/64/1095521264.db2.gz WHXINRLGHKVSOY-UXLLHSPISA-N -1 0 326.396 2.943 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001601116729 1095521291 /nfs/dbraw/zinc/52/12/91/1095521291.db2.gz LXHQOQMNHTVTTP-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C2 ZINC001601115846 1095521524 /nfs/dbraw/zinc/52/15/24/1095521524.db2.gz WLRQRVFBPSMVMW-UHFFFAOYSA-N -1 0 337.335 2.569 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC001601117294 1095521945 /nfs/dbraw/zinc/52/19/45/1095521945.db2.gz JDCGKCAFGXSJFY-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)c1[nH]c3ccccc3c1CC(=O)[O-])C2 ZINC001601116012 1095522471 /nfs/dbraw/zinc/52/24/71/1095522471.db2.gz ZDEKHYJVNZZPDT-UHFFFAOYSA-N -1 0 345.358 2.823 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CC2(C(F)(F)F)CC2)C(=O)[O-])c1 ZINC001601118758 1095523062 /nfs/dbraw/zinc/52/30/62/1095523062.db2.gz ZZQZYKRDLQFNBN-LBPRGKRZSA-N -1 0 327.258 2.960 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC001601119441 1095523213 /nfs/dbraw/zinc/52/32/13/1095523213.db2.gz QPMFQMHAIIASJH-QZTJIDSGSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OC(F)F)cn2)C(=O)[O-])c1 ZINC001601118738 1095523230 /nfs/dbraw/zinc/52/32/30/1095523230.db2.gz ZPZHCOVFJFUBDT-ZDUSSCGKSA-N -1 0 348.261 2.537 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3ccsc3C(=O)[O-])CCO2)c1 ZINC001601120535 1095524939 /nfs/dbraw/zinc/52/49/39/1095524939.db2.gz YMCGAVQIEMHKKK-AWEZNQCLSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCOc3cccc(F)c3C2)c1 ZINC001601119707 1095525754 /nfs/dbraw/zinc/52/57/54/1095525754.db2.gz WSNIOYQWQOHTEY-QGZVFWFLSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC001601120848 1095525991 /nfs/dbraw/zinc/52/59/91/1095525991.db2.gz PDXXRLLSPRYUTD-CQSZACIVSA-N -1 0 338.367 2.551 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001601121499 1095527088 /nfs/dbraw/zinc/52/70/88/1095527088.db2.gz LDBIUAZTSOTZRW-UHFFFAOYSA-N -1 0 347.330 2.822 20 30 EFEDRM N#Cc1cccc(OCCOC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001601123864 1095527358 /nfs/dbraw/zinc/52/73/58/1095527358.db2.gz XZFIDEHDNCDTNZ-UHFFFAOYSA-N -1 0 331.368 2.905 20 30 EFEDRM N#Cc1cccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c1F ZINC001601122579 1095527471 /nfs/dbraw/zinc/52/74/71/1095527471.db2.gz OHMFDRLBKMDQIO-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)NCCc3ccc(C(=O)[O-])cc3)c21 ZINC001601124631 1095528821 /nfs/dbraw/zinc/52/88/21/1095528821.db2.gz PFPIWOQBXDFZIV-UHFFFAOYSA-N -1 0 333.347 2.710 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001601124220 1095528953 /nfs/dbraw/zinc/52/89/53/1095528953.db2.gz GYYIEJKNVQLMRE-JKSUJKDBSA-N -1 0 326.396 2.813 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001601124588 1095529035 /nfs/dbraw/zinc/52/90/35/1095529035.db2.gz UIKVMHLLVRSOBU-UHFFFAOYSA-N -1 0 345.358 2.800 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN(CCc1ccccc1)CC(=O)[O-] ZINC001601124126 1095529110 /nfs/dbraw/zinc/52/91/10/1095529110.db2.gz DBSNZDLMUMIQMT-UHFFFAOYSA-N -1 0 339.351 2.596 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)c21 ZINC001601124483 1095529439 /nfs/dbraw/zinc/52/94/39/1095529439.db2.gz MKZXCXJFXDBJMA-UHFFFAOYSA-N -1 0 331.331 2.941 20 30 EFEDRM N#Cc1ccccc1OCC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001601125701 1095530195 /nfs/dbraw/zinc/53/01/95/1095530195.db2.gz MWXIHJVQIINOHG-UHFFFAOYSA-N -1 0 330.384 2.621 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)c1cccc(C(=O)[O-])c1 ZINC001601125198 1095530208 /nfs/dbraw/zinc/53/02/08/1095530208.db2.gz GEYKXWRWMIIGIF-UHFFFAOYSA-N -1 0 340.404 2.920 20 30 EFEDRM N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](C(=O)[O-])C2CC2)o1 ZINC001601126705 1095530412 /nfs/dbraw/zinc/53/04/12/1095530412.db2.gz LIDYZTOCMFRSKC-MRXNPFEDSA-N -1 0 341.319 2.750 20 30 EFEDRM N#Cc1ccccc1OCc1ccc(C(=O)O[C@H](C(=O)[O-])C2CC2)o1 ZINC001601126704 1095530596 /nfs/dbraw/zinc/53/05/96/1095530596.db2.gz LIDYZTOCMFRSKC-INIZCTEOSA-N -1 0 341.319 2.750 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001601125792 1095530787 /nfs/dbraw/zinc/53/07/87/1095530787.db2.gz JWOFXQMJDRTWIL-NPQIQWPPSA-N -1 0 326.377 2.965 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001601125004 1095531366 /nfs/dbraw/zinc/53/13/66/1095531366.db2.gz AVCGHRAZMCWNJP-YVMONPNESA-N -1 0 341.754 2.634 20 30 EFEDRM N#Cc1ccsc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601129552 1095532328 /nfs/dbraw/zinc/53/23/28/1095532328.db2.gz JFVGCDYBJBFGKW-GFCCVEGCSA-N -1 0 333.344 2.749 20 30 EFEDRM N#Cc1cnc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c(Cl)c1 ZINC001601129102 1095532458 /nfs/dbraw/zinc/53/24/58/1095532458.db2.gz LWXPCSATLBMUFL-UHFFFAOYSA-N -1 0 341.754 2.898 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601129560 1095532640 /nfs/dbraw/zinc/53/26/40/1095532640.db2.gz JMEAQFPZSMOFCV-KRWDZBQOSA-N -1 0 341.392 2.880 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Nc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC001601129632 1095533072 /nfs/dbraw/zinc/53/30/72/1095533072.db2.gz MFRWDYRHPFJVCD-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(Cl)c1 ZINC001601129099 1095533081 /nfs/dbraw/zinc/53/30/81/1095533081.db2.gz LTQTXAYKIYHBLW-UHFFFAOYSA-N -1 0 329.743 2.876 20 30 EFEDRM N#Cc1cnc(N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)c2sccc21 ZINC001601129980 1095533343 /nfs/dbraw/zinc/53/33/43/1095533343.db2.gz CMTBCXGKCWLACM-JKIHBJTHSA-N -1 0 343.408 2.992 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001601133184 1095534694 /nfs/dbraw/zinc/53/46/94/1095534694.db2.gz MXTAZRSIKILIOX-CYBMUJFWSA-N -1 0 343.305 2.953 20 30 EFEDRM N#Cc1cnc2c(F)ccc(F)c2c1NCC1(C(=O)[O-])CCCC1 ZINC001601131267 1095534892 /nfs/dbraw/zinc/53/48/92/1095534892.db2.gz WPXGFUPCZUXITK-UHFFFAOYSA-N -1 0 331.322 2.863 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001601133327 1095535069 /nfs/dbraw/zinc/53/50/69/1095535069.db2.gz MUTXUIDECCSXKJ-UHFFFAOYSA-N -1 0 329.306 2.609 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC001601133049 1095535195 /nfs/dbraw/zinc/53/51/95/1095535195.db2.gz JFBNTFRNBMYFMO-INIZCTEOSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccnc1N1CCCCC1 ZINC001601134160 1095535796 /nfs/dbraw/zinc/53/57/96/1095535796.db2.gz ALIAESSGHFLKMA-UHFFFAOYSA-N -1 0 337.383 2.649 20 30 EFEDRM N#Cc1nn([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC001601136117 1095536033 /nfs/dbraw/zinc/53/60/33/1095536033.db2.gz GVTQSANAZKXABV-NSHDSACASA-N -1 0 341.110 2.644 20 30 EFEDRM N#Cc1ncc(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)cn1 ZINC001601134669 1095536645 /nfs/dbraw/zinc/53/66/45/1095536645.db2.gz WYQJFAFUHKRXSV-UHFFFAOYSA-N -1 0 338.348 2.749 20 30 EFEDRM N#Cc1sc(NC(=O)NCc2ccc(C(=O)[O-])cc2)nc1Cl ZINC001601136647 1095537905 /nfs/dbraw/zinc/53/79/05/1095537905.db2.gz XVBUREKBIKNSFV-UHFFFAOYSA-N -1 0 336.760 2.688 20 30 EFEDRM O=C(C#CC1CC1)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001601224077 1095563414 /nfs/dbraw/zinc/56/34/14/1095563414.db2.gz PSZRSZKSMQGPTC-UHFFFAOYSA-N -1 0 326.377 2.784 20 30 EFEDRM O=C(C#Cc1cccs1)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001601224727 1095564028 /nfs/dbraw/zinc/56/40/28/1095564028.db2.gz FCORKGMPNBZYJP-OAHLLOKOSA-N -1 0 339.372 2.658 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC001601250161 1095578971 /nfs/dbraw/zinc/57/89/71/1095578971.db2.gz PNCUPALWJDKDSL-MRXNPFEDSA-N -1 0 328.364 2.771 20 30 EFEDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001601407156 1095661589 /nfs/dbraw/zinc/66/15/89/1095661589.db2.gz VBMDHESNDRZOGT-QMMMGPOBSA-N -1 0 347.186 2.980 20 30 EFEDRM O=C([O-])c1c[nH]c2cc(NC(=O)NCC#C[C@H]3CCCCO3)ccc12 ZINC001601449583 1095677878 /nfs/dbraw/zinc/67/78/78/1095677878.db2.gz ZDNFSDMBPSJGNU-CYBMUJFWSA-N -1 0 341.367 2.560 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)NCC#C[C@H]2CCCCO2)cc1Cl ZINC001601447917 1095678462 /nfs/dbraw/zinc/67/84/62/1095678462.db2.gz NFNDDMXRYOFLAE-GFCCVEGCSA-N -1 0 336.775 2.732 20 30 EFEDRM O=C([O-])C12CC(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)(C1)C2 ZINC001601728237 1095868693 /nfs/dbraw/zinc/86/86/93/1095868693.db2.gz LEQPNNCMXRKVNL-UHFFFAOYSA-N -1 0 330.167 2.966 20 30 EFEDRM O=C([O-])CCC[C@H]1CCCC(N=Nc2ccc(-n3ccnc3)nn2)C1 ZINC001601980534 1096004496 /nfs/dbraw/zinc/00/44/96/1096004496.db2.gz NSOFCRUOMXDTMW-CYBMUJFWSA-N -1 0 342.403 2.875 20 30 EFEDRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N(O)Cc2cccc3ccccc32)O1 ZINC001602033610 1096027916 /nfs/dbraw/zinc/02/79/16/1096027916.db2.gz AAZXRKRTEQJVAA-DOTOQJQBSA-N -1 0 343.379 2.970 20 30 EFEDRM O=C([O-])CCc1csc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)n1 ZINC001602045135 1096035822 /nfs/dbraw/zinc/03/58/22/1096035822.db2.gz BDIAFAOFMCLHOK-XVNBXDOJSA-N -1 0 348.355 2.520 20 30 EFEDRM O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C#Cc1ccccc1 ZINC001602057694 1096045522 /nfs/dbraw/zinc/04/55/22/1096045522.db2.gz SNZYYYLYAYEWEF-UHFFFAOYSA-N -1 0 343.766 2.511 20 30 EFEDRM O=C([O-])Cn1cccc1CN=Nc1ccc(Br)cc1F ZINC001602166235 1096099181 /nfs/dbraw/zinc/09/91/81/1096099181.db2.gz GHUBLEZKYUGYCI-UHFFFAOYSA-N -1 0 340.152 2.920 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2ncc(Br)s2)c[nH]1 ZINC001602254589 1096141595 /nfs/dbraw/zinc/14/15/95/1096141595.db2.gz CZKCMNRDVJCQBL-UPHRSURJSA-N -1 0 327.159 2.828 20 30 EFEDRM O=C([O-])c1cc2n(n1)CCCC2N=Nc1ncc(Cl)cc1Cl ZINC001602306802 1096169203 /nfs/dbraw/zinc/16/92/03/1096169203.db2.gz ZYTWAXHXOUQQNN-UHFFFAOYSA-N -1 0 340.170 2.893 20 30 EFEDRM O=C([O-])c1cc2n(n1)CC/C(=C/c1ncc(C(F)(F)F)s1)C2=O ZINC001602306009 1096169279 /nfs/dbraw/zinc/16/92/79/1096169279.db2.gz ITXWNIOPYRUSFX-UTCJRWHESA-N -1 0 343.286 2.727 20 30 EFEDRM O=C([O-])c1ccc(C=NNC[C@@H]2CCSC2)c(Br)c1 ZINC001602331289 1096182155 /nfs/dbraw/zinc/18/21/55/1096182155.db2.gz ZCVCGBYULGKVOB-VIFPVBQESA-N -1 0 343.246 2.824 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCOc2ccccc2[N+](=O)[O-])cc1 ZINC001602333397 1096183887 /nfs/dbraw/zinc/18/38/87/1096183887.db2.gz YLJHNNTXYQVFHE-UHFFFAOYSA-N -1 0 330.296 2.723 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)cc1F ZINC001602382599 1096216791 /nfs/dbraw/zinc/21/67/91/1096216791.db2.gz SXAJABDJGMCZLH-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)c2coc(C3CCC3)n2)c1 ZINC001602430471 1096241086 /nfs/dbraw/zinc/24/10/86/1096241086.db2.gz JVHPCBSZXPGPNV-UHFFFAOYSA-N -1 0 325.320 2.849 20 30 EFEDRM O=C([O-])c1ccccc1-c1ccc(C=NN[C@@H]2CCCC[C@H]2O)o1 ZINC001602463187 1096259032 /nfs/dbraw/zinc/25/90/32/1096259032.db2.gz SIXHJJYMADZKHF-HZPDHXFCSA-N -1 0 328.368 2.872 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C/c2ccc(N3CCC(O)CC3)cc2)c1 ZINC001602549795 1096294223 /nfs/dbraw/zinc/29/42/23/1096294223.db2.gz AXHJPHXJYIKZSZ-ZZXKWVIFSA-N -1 0 341.363 2.835 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C\c2ccccc2-n2cncn2)c1 ZINC001602557958 1096298455 /nfs/dbraw/zinc/29/84/55/1096298455.db2.gz FYJRJRUGOITSML-WAYWQWQTSA-N -1 0 325.349 2.923 20 30 EFEDRM C#C[C@@H](CC)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001602671348 1096344188 /nfs/dbraw/zinc/34/41/88/1096344188.db2.gz RLKGNBLJHAUIFK-NWDGAFQWSA-N -1 0 328.290 2.699 20 30 EFEDRM C#C[C@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001602671520 1096344836 /nfs/dbraw/zinc/34/48/36/1096344836.db2.gz VUIFMTNAAHKAJN-GFCCVEGCSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@H](CCC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001602671176 1096345264 /nfs/dbraw/zinc/34/52/64/1096345264.db2.gz OGGCHLVYXKWSQF-LLVKDONJSA-N -1 0 340.326 2.952 20 30 EFEDRM C#C[C@@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001602671523 1096345333 /nfs/dbraw/zinc/34/53/33/1096345333.db2.gz VUIFMTNAAHKAJN-LBPRGKRZSA-N -1 0 331.393 2.618 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602674065 1096346457 /nfs/dbraw/zinc/34/64/57/1096346457.db2.gz LQTOGKZDYLMPAY-BBRMVZONSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@@H](NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C(C)C ZINC001602674267 1096347111 /nfs/dbraw/zinc/34/71/11/1096347111.db2.gz ODFCGOTUFQTLIL-OAHLLOKOSA-N -1 0 328.368 2.631 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001602678569 1096348845 /nfs/dbraw/zinc/34/88/45/1096348845.db2.gz NKWGZRSSCFPRGB-QGZVFWFLSA-N -1 0 325.339 2.947 20 30 EFEDRM C#C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccc(Br)cc1 ZINC001602677721 1096349014 /nfs/dbraw/zinc/34/90/14/1096349014.db2.gz ALYLOTXAJLQQNU-AWEZNQCLSA-N -1 0 347.212 2.950 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001602684888 1096349282 /nfs/dbraw/zinc/34/92/82/1096349282.db2.gz ITTUADYPFLNVEQ-KRWDZBQOSA-N -1 0 337.375 2.514 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001602681352 1096349779 /nfs/dbraw/zinc/34/97/79/1096349779.db2.gz KIBWZCQCJAKNDJ-IBGZPJMESA-N -1 0 344.459 2.680 20 30 EFEDRM C#CCC(CC#C)C(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001602682749 1096350094 /nfs/dbraw/zinc/35/00/94/1096350094.db2.gz FFBOCEODFMZLEG-UHFFFAOYSA-N -1 0 349.180 2.853 20 30 EFEDRM C#CC[C@H](NC(=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001602685794 1096350203 /nfs/dbraw/zinc/35/02/03/1096350203.db2.gz ZNFJFQDUEHCSKL-RDQDRAATSA-N -1 0 347.239 2.748 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC001602687843 1096350217 /nfs/dbraw/zinc/35/02/17/1096350217.db2.gz XTHABWBUWSNWOA-NXIHDVOMSA-N -1 0 345.704 2.878 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC=C ZINC001602683198 1096350234 /nfs/dbraw/zinc/35/02/34/1096350234.db2.gz KTTNXAWIPJYHQJ-KBXCAEBGSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001602693374 1096350771 /nfs/dbraw/zinc/35/07/71/1096350771.db2.gz RGBRZBYNOVSQBI-MRXNPFEDSA-N -1 0 327.311 2.824 20 30 EFEDRM C#C[C@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC001602689806 1096351369 /nfs/dbraw/zinc/35/13/69/1096351369.db2.gz LVBKRLFEUSXBNG-CYBMUJFWSA-N -1 0 331.379 2.675 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001602692787 1096351733 /nfs/dbraw/zinc/35/17/33/1096351733.db2.gz SMOCLMGFOVSSQC-CYBMUJFWSA-N -1 0 348.811 2.599 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1nc(Br)ccc1C)C(=O)[O-] ZINC001602873543 1096390884 /nfs/dbraw/zinc/39/08/84/1096390884.db2.gz XKTUWKVXJPQNNT-JTQLQIEISA-N -1 0 341.205 2.692 20 30 EFEDRM C#CC[C@@H]1CCCN(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)C1 ZINC001602700360 1096353397 /nfs/dbraw/zinc/35/33/97/1096353397.db2.gz VZXNMJMOYBUXPB-NEPJUHHUSA-N -1 0 347.440 2.600 20 30 EFEDRM C#CCC1(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001602698538 1096353567 /nfs/dbraw/zinc/35/35/67/1096353567.db2.gz KIPINCVSCDZOBX-UHFFFAOYSA-N -1 0 329.396 2.854 20 30 EFEDRM C#CCCN(CC(F)(F)F)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001602710765 1096355075 /nfs/dbraw/zinc/35/50/75/1096355075.db2.gz NBZFOENIFCZDEJ-UHFFFAOYSA-N -1 0 330.306 2.612 20 30 EFEDRM C#CCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[nH]n2)c1 ZINC001602706244 1096355438 /nfs/dbraw/zinc/35/54/38/1096355438.db2.gz ODAUWFJBSPJVOQ-UHFFFAOYSA-N -1 0 339.277 2.507 20 30 EFEDRM C#CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001602726458 1096356076 /nfs/dbraw/zinc/35/60/76/1096356076.db2.gz QETHCDDHRBDSIR-SNVBAGLBSA-N -1 0 341.816 2.884 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001602730529 1096357377 /nfs/dbraw/zinc/35/73/77/1096357377.db2.gz OQMNIZVUBLOLLR-UHFFFAOYSA-N -1 0 335.359 2.595 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001602734381 1096358349 /nfs/dbraw/zinc/35/83/49/1096358349.db2.gz RKWJPMLPCXAEJT-UHFFFAOYSA-N -1 0 330.384 2.855 20 30 EFEDRM C#CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001602734088 1096358699 /nfs/dbraw/zinc/35/86/99/1096358699.db2.gz JUOCZLXWMRTCSF-PXNSSMCTSA-N -1 0 335.359 2.896 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001602734481 1096358739 /nfs/dbraw/zinc/35/87/39/1096358739.db2.gz WCXRJWROQUSWGI-KRWDZBQOSA-N -1 0 334.347 2.603 20 30 EFEDRM C#Cc1ccc(CNC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001602738556 1096359769 /nfs/dbraw/zinc/35/97/69/1096359769.db2.gz GIRVOBKRQCODLZ-UHFFFAOYSA-N -1 0 338.363 2.834 20 30 EFEDRM C#Cc1cccc(NC(=S)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c1 ZINC001602742871 1096359794 /nfs/dbraw/zinc/35/97/94/1096359794.db2.gz BFQITQJLRMDFBF-JYJNAYRXSA-N -1 0 328.437 2.940 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602743898 1096359803 /nfs/dbraw/zinc/35/98/03/1096359803.db2.gz YGWRLISWAQGDIL-RBUKOAKNSA-N -1 0 333.387 2.537 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1 ZINC001602739881 1096359899 /nfs/dbraw/zinc/35/98/99/1096359899.db2.gz QMQCAAXEVMSWQI-LBPRGKRZSA-N -1 0 326.377 2.566 20 30 EFEDRM C#Cc1ccccc1CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001602743901 1096360104 /nfs/dbraw/zinc/36/01/04/1096360104.db2.gz YKEUVQYUPDNZOM-IBGZPJMESA-N -1 0 337.375 2.503 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001602746884 1096360953 /nfs/dbraw/zinc/36/09/53/1096360953.db2.gz JPBUBQFJJJDTJE-LKFCYVNXSA-N -1 0 340.326 2.766 20 30 EFEDRM C#Cc1cncc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC001602744585 1096361641 /nfs/dbraw/zinc/36/16/41/1096361641.db2.gz GJXTTYHWXHEKAF-UHFFFAOYSA-N -1 0 346.342 2.932 20 30 EFEDRM C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC001602744888 1096361703 /nfs/dbraw/zinc/36/17/03/1096361703.db2.gz PRTOPGDOZMVLAL-NEPJUHHUSA-N -1 0 341.404 2.595 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)[O-] ZINC001602754569 1096362885 /nfs/dbraw/zinc/36/28/85/1096362885.db2.gz NJCMXLMXLYRDQO-LLVKDONJSA-N -1 0 330.153 2.737 20 30 EFEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001602749170 1096363332 /nfs/dbraw/zinc/36/33/32/1096363332.db2.gz CTASPHBZCDEVMK-ZDUSSCGKSA-N -1 0 336.388 2.621 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001602754878 1096365270 /nfs/dbraw/zinc/36/52/70/1096365270.db2.gz YCVQCKQJZOMGNC-LBPRGKRZSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)C[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)C(=O)OCC ZINC001602755491 1096365422 /nfs/dbraw/zinc/36/54/22/1096365422.db2.gz WDNSTLXOLWPXBI-INIZCTEOSA-N -1 0 342.395 2.921 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602766124 1096365832 /nfs/dbraw/zinc/36/58/32/1096365832.db2.gz VKOYXOPTSQZGNK-UKRRQHHQSA-N -1 0 326.400 2.678 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001602764856 1096365874 /nfs/dbraw/zinc/36/58/74/1096365874.db2.gz USYPVNQOGRKXOT-CZUORRHYSA-N -1 0 348.399 2.500 20 30 EFEDRM C=C(C)Cn1c(-c2ncc(C)o2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602766199 1096366346 /nfs/dbraw/zinc/36/63/46/1096366346.db2.gz XBCOZDAHRBQLQY-QGZVFWFLSA-N -1 0 345.403 2.509 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC001602774390 1096367078 /nfs/dbraw/zinc/36/70/78/1096367078.db2.gz ILDZOXBTACBZAV-UHFFFAOYSA-N -1 0 331.290 2.965 20 30 EFEDRM C=C1CC(c2noc(-c3cnc(C(F)(F)F)c(-c4nn[nH]n4)c3)n2)C1 ZINC001602773303 1096367322 /nfs/dbraw/zinc/36/73/22/1096367322.db2.gz UDOBXUOBUVNMBD-UHFFFAOYSA-N -1 0 349.276 2.764 20 30 EFEDRM C=C(C)c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC001602770437 1096367812 /nfs/dbraw/zinc/36/78/12/1096367812.db2.gz ZPHXTEWDTGDZGS-INIZCTEOSA-N -1 0 335.367 2.572 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(-c2nn[nH]n2)cc1 ZINC001602772966 1096368020 /nfs/dbraw/zinc/36/80/20/1096368020.db2.gz GZHHYHHCRVDSEK-IYBDPMFKSA-N -1 0 337.427 2.854 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001602777612 1096368985 /nfs/dbraw/zinc/36/89/85/1096368985.db2.gz AEEUTXSUPLJAIB-LBPRGKRZSA-N -1 0 345.374 2.918 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCOc2ccc(Br)cc21 ZINC001602778866 1096369525 /nfs/dbraw/zinc/36/95/25/1096369525.db2.gz VVJOGGRDXHIGLX-UHFFFAOYSA-N -1 0 340.173 2.596 20 30 EFEDRM C=C(Cl)C[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)OCC ZINC001602788483 1096370614 /nfs/dbraw/zinc/37/06/14/1096370614.db2.gz KAOFZHNBZNTARA-IUCAKERBSA-N -1 0 332.809 2.566 20 30 EFEDRM C=C(CNS(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccccc1 ZINC001602788218 1096370674 /nfs/dbraw/zinc/37/06/74/1096370674.db2.gz FUGSBGYNUFXKPL-UHFFFAOYSA-N -1 0 337.422 2.746 20 30 EFEDRM C=CC(C)(C)CCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1OC ZINC001602786942 1096370713 /nfs/dbraw/zinc/37/07/13/1096370713.db2.gz REXVJNRZDUPVAO-UHFFFAOYSA-N -1 0 330.392 2.599 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Oc1ccc(Br)cc1OC ZINC001602787508 1096370743 /nfs/dbraw/zinc/37/07/43/1096370743.db2.gz ISHICRXYHDEYSV-UHFFFAOYSA-N -1 0 329.146 2.784 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001602786719 1096370963 /nfs/dbraw/zinc/37/09/63/1096370963.db2.gz FZHOEZTZYXDYBL-UHFFFAOYSA-N -1 0 325.416 2.617 20 30 EFEDRM C=C(CCC(=O)OC)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001602788092 1096371088 /nfs/dbraw/zinc/37/10/88/1096371088.db2.gz YMMCIUNYZAXTLQ-UHFFFAOYSA-N -1 0 331.368 2.564 20 30 EFEDRM C=C1CCC(CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001602792446 1096371512 /nfs/dbraw/zinc/37/15/12/1096371512.db2.gz YHQKSGKHOCUNHP-UHFFFAOYSA-N -1 0 344.411 2.505 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001602804374 1096373877 /nfs/dbraw/zinc/37/38/77/1096373877.db2.gz NYSDWJMPKSUHFR-OCCSQVGLSA-N -1 0 331.441 2.614 20 30 EFEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602807679 1096374384 /nfs/dbraw/zinc/37/43/84/1096374384.db2.gz RWGFKJXYCHUWPG-UHFFFAOYSA-N -1 0 333.356 2.544 20 30 EFEDRM C=C[C@@](C)(O)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001602809008 1096376124 /nfs/dbraw/zinc/37/61/24/1096376124.db2.gz ANFLCISNRVULSP-OXQOHEQNSA-N -1 0 341.407 2.526 20 30 EFEDRM C=C[C@@H](OC(=O)c1sc(C)c(Br)c1OC)C(=O)[O-] ZINC001602827908 1096376980 /nfs/dbraw/zinc/37/69/80/1096376980.db2.gz UDXNWNLKHHWKKF-ZCFIWIBFSA-N -1 0 335.175 2.624 20 30 EFEDRM C=C[C@H](Sc1nnc([C@@H](CC)N(C)C)n1CCCC)C(=O)[O-] ZINC001602828631 1096377725 /nfs/dbraw/zinc/37/77/25/1096377725.db2.gz MHOQZVLSSRGBGL-NEPJUHHUSA-N -1 0 326.466 2.822 20 30 EFEDRM C=C[C@@H](OC(=O)c1ccc(NC(=O)OCC)cc1Cl)C(=O)[O-] ZINC001602827996 1096377874 /nfs/dbraw/zinc/37/78/74/1096377874.db2.gz UZDIXSHXSCGQAZ-LLVKDONJSA-N -1 0 327.720 2.704 20 30 EFEDRM C=C[C@@H](Nc1cc(Br)ccc1OCCOCC)C(=O)[O-] ZINC001602819401 1096378224 /nfs/dbraw/zinc/37/82/24/1096378224.db2.gz UXWHUPLUHPEGKR-LLVKDONJSA-N -1 0 344.205 2.916 20 30 EFEDRM C=C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)[O-] ZINC001602828924 1096379494 /nfs/dbraw/zinc/37/94/94/1096379494.db2.gz RXFRCZRYZHRVQB-AWEZNQCLSA-N -1 0 342.376 2.769 20 30 EFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001602836257 1096380578 /nfs/dbraw/zinc/38/05/78/1096380578.db2.gz KBBQRRAIHOWIRV-UHFFFAOYSA-N -1 0 338.791 2.695 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001602837159 1096381041 /nfs/dbraw/zinc/38/10/41/1096381041.db2.gz HKFKOYBIRIDBPW-CYBMUJFWSA-N -1 0 340.379 2.947 20 30 EFEDRM C=CC[C@H](CC)NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001602837225 1096381234 /nfs/dbraw/zinc/38/12/34/1096381234.db2.gz IXISYVUKYYWUSU-BTJONVMOSA-N -1 0 326.462 2.769 20 30 EFEDRM C=CCCCCCn1c(=O)c(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001602838057 1096381410 /nfs/dbraw/zinc/38/14/10/1096381410.db2.gz NGACLNYMEXBMKL-UHFFFAOYSA-N -1 0 327.310 2.794 20 30 EFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001602837161 1096381518 /nfs/dbraw/zinc/38/15/18/1096381518.db2.gz HKFKOYBIRIDBPW-ZDUSSCGKSA-N -1 0 340.379 2.947 20 30 EFEDRM C=CCC(CC=C)C(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001602837477 1096381979 /nfs/dbraw/zinc/38/19/79/1096381979.db2.gz XAZSWVHMXHMZAX-INIZCTEOSA-N -1 0 342.395 2.523 20 30 EFEDRM C=CCC(F)(F)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001602842366 1096382980 /nfs/dbraw/zinc/38/29/80/1096382980.db2.gz HTZWNHMYFWLZSE-UHFFFAOYSA-N -1 0 333.281 2.980 20 30 EFEDRM C=CC[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602845858 1096383467 /nfs/dbraw/zinc/38/34/67/1096383467.db2.gz YFDDYXSCDJTXOC-NSHDSACASA-N -1 0 331.683 2.502 20 30 EFEDRM C=CCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCOCC1 ZINC001602850296 1096383722 /nfs/dbraw/zinc/38/37/22/1096383722.db2.gz WEBIPUFQNJBUFK-UHFFFAOYSA-N -1 0 325.311 2.974 20 30 EFEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001602850764 1096384732 /nfs/dbraw/zinc/38/47/32/1096384732.db2.gz UKMQFOQSVHIWBP-UHFFFAOYSA-N -1 0 341.415 2.781 20 30 EFEDRM C=CCC[C@H](C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001602855985 1096385697 /nfs/dbraw/zinc/38/56/97/1096385697.db2.gz LSIZTAAQBICJIN-ZFWWWQNUSA-N -1 0 343.383 2.717 20 30 EFEDRM C=CCC[C@H](C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1)c1ccccc1 ZINC001602856204 1096385907 /nfs/dbraw/zinc/38/59/07/1096385907.db2.gz YFSNPBMXYGJCLC-ULQDDVLXSA-N -1 0 331.412 2.590 20 30 EFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001602855385 1096386211 /nfs/dbraw/zinc/38/62/11/1096386211.db2.gz OUUXHDPLMGTBAR-JQWIXIFHSA-N -1 0 329.443 2.860 20 30 EFEDRM C=CCCC[C@@H](C(=O)Nc1n[nH]c(CC(=O)[O-])n1)c1ccccc1 ZINC001602860486 1096386905 /nfs/dbraw/zinc/38/69/05/1096386905.db2.gz GFOXBFWJEJZVTH-CYBMUJFWSA-N -1 0 328.372 2.510 20 30 EFEDRM C=CCC[C@H]1NC(=O)N(c2cccc(SCCC(=O)[O-])c2)C1=O ZINC001602860840 1096387594 /nfs/dbraw/zinc/38/75/94/1096387594.db2.gz RSCBPEFAKOCPDG-CYBMUJFWSA-N -1 0 334.397 2.644 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602860791 1096387753 /nfs/dbraw/zinc/38/77/53/1096387753.db2.gz QDQZIYTUIIXGHM-SECBINFHSA-N -1 0 333.356 2.686 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001602860689 1096388115 /nfs/dbraw/zinc/38/81/15/1096388115.db2.gz MLPVTENSGQDNKY-GFCCVEGCSA-N -1 0 332.400 2.747 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001602857486 1096388449 /nfs/dbraw/zinc/38/84/49/1096388449.db2.gz SAGUGROAMOIREM-UHFFFAOYSA-N -1 0 332.400 2.503 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)cccc1Cl)C(=O)[O-] ZINC001602869113 1096388604 /nfs/dbraw/zinc/38/86/04/1096388604.db2.gz BCVYNPBOHHQBBK-LBPRGKRZSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001602869559 1096388844 /nfs/dbraw/zinc/38/88/44/1096388844.db2.gz CHKQCMQZJCCTSW-LBPRGKRZSA-N -1 0 336.344 2.533 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC001602865617 1096388876 /nfs/dbraw/zinc/38/88/76/1096388876.db2.gz NNDJFAOQLZLQOE-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602862482 1096389557 /nfs/dbraw/zinc/38/95/57/1096389557.db2.gz FPPGQUIMCYTNII-DYVFJYSZSA-N -1 0 331.412 2.868 20 30 EFEDRM C=CCCCCCN(C)C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001602871326 1096390045 /nfs/dbraw/zinc/39/00/45/1096390045.db2.gz XCIPUMYOOBKSRN-UHFFFAOYSA-N -1 0 334.416 2.971 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001602873676 1096390122 /nfs/dbraw/zinc/39/01/22/1096390122.db2.gz ZVCRHVAPPKITGV-ZDUSSCGKSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001602870780 1096390226 /nfs/dbraw/zinc/39/02/26/1096390226.db2.gz HOOGLOHPGQFLOU-CQSZACIVSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccccc2OC)on1)C(=O)[O-] ZINC001602869726 1096390244 /nfs/dbraw/zinc/39/02/44/1096390244.db2.gz FCZTVMLXLSNRGA-ZDUSSCGKSA-N -1 0 344.367 2.890 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccc1 ZINC001602872793 1096390836 /nfs/dbraw/zinc/39/08/36/1096390836.db2.gz NYXWSEGFGHAITF-HNNXBMFYSA-N -1 0 337.441 2.868 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[O-] ZINC001602873136 1096390844 /nfs/dbraw/zinc/39/08/44/1096390844.db2.gz ZUCBCIKCGGYMRY-ZDUSSCGKSA-N -1 0 331.347 2.755 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccccc1 ZINC001602872794 1096390873 /nfs/dbraw/zinc/39/08/73/1096390873.db2.gz NYXWSEGFGHAITF-OAHLLOKOSA-N -1 0 337.441 2.868 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001602870118 1096390937 /nfs/dbraw/zinc/39/09/37/1096390937.db2.gz FHJKSMLGQJMKKP-GFCCVEGCSA-N -1 0 326.736 2.788 20 30 EFEDRM C=CCN(C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001602887320 1096391548 /nfs/dbraw/zinc/39/15/48/1096391548.db2.gz PSZFYBMXRMBAGW-MFOWVQHXSA-N -1 0 326.462 2.721 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001602887565 1096391861 /nfs/dbraw/zinc/39/18/61/1096391861.db2.gz AGTUACLWKVRVSN-UHFFFAOYSA-N -1 0 331.393 2.877 20 30 EFEDRM C=CCN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H](C)COC ZINC001602886879 1096392415 /nfs/dbraw/zinc/39/24/15/1096392415.db2.gz BHKPPOWASUUHOM-SECBINFHSA-N -1 0 328.315 2.718 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(C(=O)[O-])=C1C ZINC001602898270 1096393127 /nfs/dbraw/zinc/39/31/27/1096393127.db2.gz NUBLVLFVJGQUID-ZDUSSCGKSA-N -1 0 338.310 2.899 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001602893566 1096393752 /nfs/dbraw/zinc/39/37/52/1096393752.db2.gz DSKLLNKPALNOHS-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001602893917 1096394159 /nfs/dbraw/zinc/39/41/59/1096394159.db2.gz OVRGVACQOPTEPN-UHFFFAOYSA-N -1 0 340.379 2.546 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001602909850 1096396979 /nfs/dbraw/zinc/39/69/79/1096396979.db2.gz KASKBSWUZXUNOO-YOEHRIQHSA-N -1 0 333.428 2.761 20 30 EFEDRM C=CCOC[C@H](NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001602910220 1096397901 /nfs/dbraw/zinc/39/79/01/1096397901.db2.gz QXVQHRJRDUIZNM-SRVKXCTJSA-N -1 0 337.338 2.517 20 30 EFEDRM C=CCONC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001602920482 1096398951 /nfs/dbraw/zinc/39/89/51/1096398951.db2.gz FKZDBHDQXNBHAF-UHFFFAOYSA-N -1 0 329.150 2.695 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2cccc(C)c2nc1Cl)C(=O)[O-] ZINC001602913018 1096399408 /nfs/dbraw/zinc/39/94/08/1096399408.db2.gz GLINCSJLXIWTOL-CYBMUJFWSA-N -1 0 348.786 2.582 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC001602914992 1096400212 /nfs/dbraw/zinc/40/02/12/1096400212.db2.gz NKQRHXMICWGKBK-CQSZACIVSA-N -1 0 349.383 2.940 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC001602921579 1096401013 /nfs/dbraw/zinc/40/10/13/1096401013.db2.gz CJQPYUOYKRNOKD-UHFFFAOYSA-N -1 0 340.397 2.603 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001602922145 1096401059 /nfs/dbraw/zinc/40/10/59/1096401059.db2.gz PXVYEUDOGWLVIO-LJQANCHMSA-N -1 0 340.379 2.766 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001602925090 1096401171 /nfs/dbraw/zinc/40/11/71/1096401171.db2.gz OMJWRZHOXQBYHU-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001602921944 1096401179 /nfs/dbraw/zinc/40/11/79/1096401179.db2.gz XMUIHBLLPLBDEZ-HUUCEWRRSA-N -1 0 340.397 2.603 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCOCC1CC1 ZINC001602926131 1096401195 /nfs/dbraw/zinc/40/11/95/1096401195.db2.gz QSJQUWQBJKLAPO-UHFFFAOYSA-N -1 0 334.368 2.844 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)c1ccnn1C ZINC001602926240 1096401244 /nfs/dbraw/zinc/40/12/44/1096401244.db2.gz XIZOKVBWICZNNG-LLVKDONJSA-N -1 0 344.367 2.565 20 30 EFEDRM C=CCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1OC ZINC001602922209 1096401266 /nfs/dbraw/zinc/40/12/66/1096401266.db2.gz UKYKXMNGLVJAKW-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H](C)[C@H](C)COC ZINC001602925814 1096401399 /nfs/dbraw/zinc/40/13/99/1096401399.db2.gz AIBUTLBIIIAQTO-VXGBXAGGSA-N -1 0 336.384 2.946 20 30 EFEDRM C=CCOc1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)c1 ZINC001602921691 1096401422 /nfs/dbraw/zinc/40/14/22/1096401422.db2.gz LVBFMQRCNVSPPA-UHFFFAOYSA-N -1 0 343.383 2.918 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001602921606 1096401476 /nfs/dbraw/zinc/40/14/76/1096401476.db2.gz DLUKTIMWIZDXCV-UHFFFAOYSA-N -1 0 331.393 2.870 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001602924711 1096401503 /nfs/dbraw/zinc/40/15/03/1096401503.db2.gz CBFMTHVLZHNHPK-UHFFFAOYSA-N -1 0 327.340 2.609 20 30 EFEDRM C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602931576 1096402034 /nfs/dbraw/zinc/40/20/34/1096402034.db2.gz ZANYYORCRDLRTE-CVEARBPZSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602930825 1096402937 /nfs/dbraw/zinc/40/29/37/1096402937.db2.gz FZLFLXJXDGMSTC-GJZGRUSLSA-N -1 0 345.447 2.953 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@](C)(CC(=O)[O-])C3CC3)cc21 ZINC001602940987 1096403446 /nfs/dbraw/zinc/40/34/46/1096403446.db2.gz WFVSLJICHYVTSU-GOSISDBHSA-N -1 0 342.399 2.987 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001602939958 1096403714 /nfs/dbraw/zinc/40/37/14/1096403714.db2.gz DHOAIIKAUKCWFI-KOLCDFICSA-N -1 0 326.299 2.518 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001602940154 1096403973 /nfs/dbraw/zinc/40/39/73/1096403973.db2.gz NIQMAMRWHCZOCZ-OCCSQVGLSA-N -1 0 334.372 2.639 20 30 EFEDRM C=CCn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1C(C)(C)C#N ZINC001602936859 1096404099 /nfs/dbraw/zinc/40/40/99/1096404099.db2.gz GXVLHIBBEQVINR-UHFFFAOYSA-N -1 0 343.387 2.501 20 30 EFEDRM C=CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602935444 1096404148 /nfs/dbraw/zinc/40/41/48/1096404148.db2.gz LMHFPKAXPDKEFH-GDBMZVCRSA-N -1 0 340.427 2.520 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001602942292 1096404254 /nfs/dbraw/zinc/40/42/54/1096404254.db2.gz ZTVTYZFEVBFUJX-YPMHNXCESA-N -1 0 340.759 2.551 20 30 EFEDRM CC#CCCNC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001602947360 1096405351 /nfs/dbraw/zinc/40/53/51/1096405351.db2.gz WESNUKUIHQHBPU-UHFFFAOYSA-N -1 0 337.763 2.532 20 30 EFEDRM CC#CCN(C)Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001602949755 1096405379 /nfs/dbraw/zinc/40/53/79/1096405379.db2.gz RZEKGZBQDWKQDK-UHFFFAOYSA-N -1 0 326.190 2.611 20 30 EFEDRM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603034920 1096422080 /nfs/dbraw/zinc/42/20/80/1096422080.db2.gz ZAIYEMNBXWCTSO-UHFFFAOYSA-N -1 0 337.339 2.618 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001603099167 1096439645 /nfs/dbraw/zinc/43/96/45/1096439645.db2.gz AIIYVOIHLDKHHV-OXQOHEQNSA-N -1 0 348.358 2.958 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)Nc2scc(C)c2C#N)c(C(=O)[O-])c1C ZINC001603093784 1096439981 /nfs/dbraw/zinc/43/99/81/1096439981.db2.gz NGAKFNSCVDGETN-UHFFFAOYSA-N -1 0 345.380 2.647 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC001603122722 1096451233 /nfs/dbraw/zinc/45/12/33/1096451233.db2.gz SPTSDYFWKMNJBG-OUAUKWLOSA-N -1 0 329.408 2.986 20 30 EFEDRM C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001603125431 1096453496 /nfs/dbraw/zinc/45/34/96/1096453496.db2.gz AKSCSEIUHRUQBW-BXWFABGCSA-N -1 0 328.412 2.909 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001603132248 1096454320 /nfs/dbraw/zinc/45/43/20/1096454320.db2.gz VILQSFVSHZWOBU-GFCCVEGCSA-N -1 0 339.351 2.726 20 30 EFEDRM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001603132359 1096454674 /nfs/dbraw/zinc/45/46/74/1096454674.db2.gz XYADFZJAOKEGAY-LLVKDONJSA-N -1 0 344.392 2.603 20 30 EFEDRM C[C@@H](C#N)CN(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001603129990 1096454713 /nfs/dbraw/zinc/45/47/13/1096454713.db2.gz PYSQGSJJPKZUPE-JOYOIKCWSA-N -1 0 343.305 2.789 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001603129618 1096455263 /nfs/dbraw/zinc/45/52/63/1096455263.db2.gz KWSCQNUOZDBYBZ-CYBMUJFWSA-N -1 0 344.415 2.998 20 30 EFEDRM C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC001603141273 1096459023 /nfs/dbraw/zinc/45/90/23/1096459023.db2.gz ZTGVABKOOKQVGZ-LBPRGKRZSA-N -1 0 326.352 2.753 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001603181182 1096467442 /nfs/dbraw/zinc/46/74/42/1096467442.db2.gz OQFUKFFDAUZYQH-CYBMUJFWSA-N -1 0 349.390 2.642 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001603180404 1096467697 /nfs/dbraw/zinc/46/76/97/1096467697.db2.gz GEICKQSSGOITQT-ZDUSSCGKSA-N -1 0 349.390 2.642 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603182101 1096467800 /nfs/dbraw/zinc/46/78/00/1096467800.db2.gz YBPZZXUORNLHEJ-SCLBCKFNSA-N -1 0 349.390 2.569 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001603188503 1096468866 /nfs/dbraw/zinc/46/88/66/1096468866.db2.gz ZMAHNZKPEVFSBI-MEDUHNTESA-N -1 0 326.327 2.889 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccccc1 ZINC001603187992 1096469266 /nfs/dbraw/zinc/46/92/66/1096469266.db2.gz RFFOSNIBDIDAEY-ZMLRMANQSA-N -1 0 343.305 2.592 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001603230685 1096478853 /nfs/dbraw/zinc/47/88/53/1096478853.db2.gz VAXCAEXYBLJCPK-BEFAXECRSA-N -1 0 326.396 2.957 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001603230706 1096479022 /nfs/dbraw/zinc/47/90/22/1096479022.db2.gz VTKKWDSGEYMYJI-UHFFFAOYSA-N -1 0 341.367 2.839 20 30 EFEDRM CC(C)(C#N)C(=O)OCc1cc(C(=O)[O-])ccc1Br ZINC001603230558 1096479263 /nfs/dbraw/zinc/47/92/63/1096479263.db2.gz YLYPXSKOUKSLIT-UHFFFAOYSA-N -1 0 326.146 2.740 20 30 EFEDRM CC(C)(C#N)c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1CC1CC1 ZINC001603230750 1096479684 /nfs/dbraw/zinc/47/96/84/1096479684.db2.gz YMDQQPACGQKAQK-ZDUSSCGKSA-N -1 0 345.447 2.570 20 30 EFEDRM CC(C)(C(=O)Nc1nc(CC(=O)[O-])cs1)c1cc(F)cc(C#N)c1 ZINC001603239837 1096482243 /nfs/dbraw/zinc/48/22/43/1096482243.db2.gz LNEDOJCDHYNQAG-UHFFFAOYSA-N -1 0 347.371 2.697 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccccc2SCC#N)cn1 ZINC001603285986 1096495727 /nfs/dbraw/zinc/49/57/27/1096495727.db2.gz CKTICQITGNWWQK-UHFFFAOYSA-N -1 0 344.396 2.571 20 30 EFEDRM CC(C)(CC#N)CS(=O)(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001603575746 1096557020 /nfs/dbraw/zinc/55/70/20/1096557020.db2.gz FJMOXUDPNZVBNM-UHFFFAOYSA-N -1 0 343.426 2.512 20 30 EFEDRM CC(C)(CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC(=O)[O-] ZINC001603630210 1096571877 /nfs/dbraw/zinc/57/18/77/1096571877.db2.gz HIYXHZOOMSRCHJ-OAHLLOKOSA-N -1 0 329.400 2.736 20 30 EFEDRM C[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726725 1096603146 /nfs/dbraw/zinc/60/31/46/1096603146.db2.gz ASHXMEOCDAEQMF-CYBMUJFWSA-N -1 0 346.394 2.500 20 30 EFEDRM CC(C)C[C@H](C#N)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001603763931 1096618317 /nfs/dbraw/zinc/61/83/17/1096618317.db2.gz LAPRMIZYSAAHQW-GFCCVEGCSA-N -1 0 339.189 2.815 20 30 EFEDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)COc1cccc(C#N)c1 ZINC001603806200 1096633232 /nfs/dbraw/zinc/63/32/32/1096633232.db2.gz SPNBVKKWTKCRHU-UHFFFAOYSA-N -1 0 332.400 2.532 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(C(=O)[O-])CC1 ZINC001603811339 1096633804 /nfs/dbraw/zinc/63/38/04/1096633804.db2.gz MTUZNQQFFKEBKD-UHFFFAOYSA-N -1 0 329.400 2.591 20 30 EFEDRM CC(C)Cc1ccc(C(=O)CCC(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001603848570 1096644033 /nfs/dbraw/zinc/64/40/33/1096644033.db2.gz QSTVLBLJZWLJFI-UHFFFAOYSA-N -1 0 344.411 2.675 20 30 EFEDRM CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001603856192 1096645551 /nfs/dbraw/zinc/64/55/51/1096645551.db2.gz FQSNIEIHOWXKCE-QLFBSQMISA-N -1 0 347.463 2.888 20 30 EFEDRM C[C@H]1CCCc2ccccc2[C@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603899177 1096664394 /nfs/dbraw/zinc/66/43/94/1096664394.db2.gz LVFDNHHMIMOLGE-ZBEGNZNMSA-N -1 0 346.398 2.654 20 30 EFEDRM CC(C)Oc1c(NC(=O)c2cc(C#N)cn2C)cccc1C(=O)[O-] ZINC001603933367 1096672037 /nfs/dbraw/zinc/67/20/37/1096672037.db2.gz CRYBHKHFCRLOMJ-UHFFFAOYSA-N -1 0 327.340 2.634 20 30 EFEDRM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001603965029 1096683713 /nfs/dbraw/zinc/68/37/13/1096683713.db2.gz HJJOOZFTKLPUAS-JTQLQIEISA-N -1 0 347.423 2.757 20 30 EFEDRM CC(C)c1ccc2ncc(C#N)c(N3CCO[C@H](CC(=O)[O-])C3)c2c1 ZINC001604004318 1096695349 /nfs/dbraw/zinc/69/53/49/1096695349.db2.gz MKMXVGHSQNCUGC-OAHLLOKOSA-N -1 0 339.395 2.910 20 30 EFEDRM CC(C)c1sc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)nc1C(=O)[O-] ZINC001604030070 1096703917 /nfs/dbraw/zinc/70/39/17/1096703917.db2.gz WBDWRJJOGHLEMI-LBPRGKRZSA-N -1 0 345.380 2.508 20 30 EFEDRM C[C@@H](CC#N)N(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001604059445 1096715501 /nfs/dbraw/zinc/71/55/01/1096715501.db2.gz FNMXPELYJNEFLJ-CABZTGNLSA-N -1 0 343.305 2.932 20 30 EFEDRM C[C@H](CN(CC#N)CCC(=O)[O-])c1cccc(Br)c1 ZINC001604159314 1096757587 /nfs/dbraw/zinc/75/75/87/1096757587.db2.gz QVWCMYBVJLHVGI-LLVKDONJSA-N -1 0 325.206 2.853 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001604217070 1096775881 /nfs/dbraw/zinc/77/58/81/1096775881.db2.gz FGLLMSJLHSBOOH-AWEZNQCLSA-N -1 0 336.391 2.794 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001604217869 1096775934 /nfs/dbraw/zinc/77/59/34/1096775934.db2.gz RHWFNHGPLJVWBE-YOEHRIQHSA-N -1 0 328.412 2.840 20 30 EFEDRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001604236870 1096782915 /nfs/dbraw/zinc/78/29/15/1096782915.db2.gz QUMHNHRQAXTFLG-HNNXBMFYSA-N -1 0 339.395 2.732 20 30 EFEDRM C[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001604287264 1096796026 /nfs/dbraw/zinc/79/60/26/1096796026.db2.gz YHMLMBGXJPIKAT-UWVGGRQHSA-N -1 0 344.396 2.834 20 30 EFEDRM C[C@H](NC(=O)NC(C)(C)c1nocc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604286501 1096796140 /nfs/dbraw/zinc/79/61/40/1096796140.db2.gz LDLJVLBOCCUZSD-JTQLQIEISA-N -1 0 342.355 2.540 20 30 EFEDRM C[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001604287263 1096796326 /nfs/dbraw/zinc/79/63/26/1096796326.db2.gz YHMLMBGXJPIKAT-NXEZZACHSA-N -1 0 344.396 2.834 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(C#N)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604309056 1096802466 /nfs/dbraw/zinc/80/24/66/1096802466.db2.gz KYWNPHQNKASFOZ-WBMJQRKESA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC001604318703 1096804602 /nfs/dbraw/zinc/80/46/02/1096804602.db2.gz KWBSQBIUJGHYIW-GWCFXTLKSA-N -1 0 328.372 2.715 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC001604428236 1096850233 /nfs/dbraw/zinc/85/02/33/1096850233.db2.gz VTRKKQIMSCPYQZ-NSHDSACASA-N -1 0 330.315 2.902 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604427633 1096850851 /nfs/dbraw/zinc/85/08/51/1096850851.db2.gz PNXZLJHPWDPKII-SUMWQHHRSA-N -1 0 339.347 2.565 20 30 EFEDRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC#N)CCC(=O)[O-] ZINC001604439562 1096854392 /nfs/dbraw/zinc/85/43/92/1096854392.db2.gz OSGPROHRDUOUDZ-SECBINFHSA-N -1 0 345.182 2.588 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-] ZINC001604453733 1096863007 /nfs/dbraw/zinc/86/30/07/1096863007.db2.gz DOELWYMOCLKGFH-KCJUWKMLSA-N -1 0 346.330 2.826 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001604467278 1096870208 /nfs/dbraw/zinc/87/02/08/1096870208.db2.gz IGXFJKTWBYVBOB-YFTGLANFSA-N -1 0 341.411 2.760 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001604468586 1096871254 /nfs/dbraw/zinc/87/12/54/1096871254.db2.gz WIOHDQVOUOUYRH-ZDUSSCGKSA-N -1 0 337.379 2.888 20 30 EFEDRM CC1(C)C[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C(C)(C)O1 ZINC001604513362 1096886193 /nfs/dbraw/zinc/88/61/93/1096886193.db2.gz NXCLLZVGRBULNU-KBPBESRZSA-N -1 0 331.368 2.821 20 30 EFEDRM CCc1cc(-c2nn[nH]n2)ccc1OC(=O)c1sccc1C#N ZINC001604511397 1096886371 /nfs/dbraw/zinc/88/63/71/1096886371.db2.gz YSWQYINRFUVOHU-UHFFFAOYSA-N -1 0 325.353 2.581 20 30 EFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001604636990 1096919182 /nfs/dbraw/zinc/91/91/82/1096919182.db2.gz LEXWEVFXZIWZPC-QWHCGFSZSA-N -1 0 338.411 2.783 20 30 EFEDRM C[C@@H]1CCc2c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)csc2C1 ZINC001604758367 1096949744 /nfs/dbraw/zinc/94/97/44/1096949744.db2.gz GQYSIJOERCDCDU-LLVKDONJSA-N -1 0 332.425 2.703 20 30 EFEDRM C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785629 1096953297 /nfs/dbraw/zinc/95/32/97/1096953297.db2.gz GMJYVIJXTKNGIP-OXQOHEQNSA-N -1 0 349.434 2.890 20 30 EFEDRM C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785630 1096953523 /nfs/dbraw/zinc/95/35/23/1096953523.db2.gz GMJYVIJXTKNGIP-UZLBHIALSA-N -1 0 349.434 2.890 20 30 EFEDRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC001604787213 1096954581 /nfs/dbraw/zinc/95/45/81/1096954581.db2.gz XVEIPLHHJPXDSC-DDTOSNHZSA-N -1 0 342.317 2.726 20 30 EFEDRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](CC(F)(F)F)O1 ZINC001604799826 1096958052 /nfs/dbraw/zinc/95/80/52/1096958052.db2.gz MSXNHZSYTMBBMW-PWSUYJOCSA-N -1 0 342.317 2.798 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC001604886999 1096974600 /nfs/dbraw/zinc/97/46/00/1096974600.db2.gz DZKJBMASQRCLIV-LJQANCHMSA-N -1 0 344.411 2.623 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001604939845 1096984255 /nfs/dbraw/zinc/98/42/55/1096984255.db2.gz FPAOHXPTKNALDE-PRHODGIISA-N -1 0 339.189 2.550 20 30 EFEDRM CC[C@H](C)[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001604939846 1096984492 /nfs/dbraw/zinc/98/44/92/1096984492.db2.gz FPAOHXPTKNALDE-QPUJVOFHSA-N -1 0 339.189 2.550 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(F)cc1OCC#N ZINC001604988837 1096994863 /nfs/dbraw/zinc/99/48/63/1096994863.db2.gz JJXFKSCWQYDSBG-UHFFFAOYSA-N -1 0 337.351 2.883 20 30 EFEDRM CC[C@](CNC(=O)Nc1ccnc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001605034931 1097007695 /nfs/dbraw/zinc/00/76/95/1097007695.db2.gz JTFSECKPVQLRNM-GOSISDBHSA-N -1 0 338.367 2.507 20 30 EFEDRM CC[C@](NC(=O)Cc1ccccc1CC#N)(C(=O)[O-])c1ccccc1 ZINC001605085323 1097018404 /nfs/dbraw/zinc/01/84/04/1097018404.db2.gz PHKPZGUPRCEGJF-HXUWFJFHSA-N -1 0 336.391 2.801 20 30 EFEDRM CC[C@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1cccc(C#N)c1[O-] ZINC001605098665 1097021531 /nfs/dbraw/zinc/02/15/31/1097021531.db2.gz HNJRGGORZLHIRO-INIZCTEOSA-N -1 0 327.384 2.850 20 30 EFEDRM CC[C@@H]1C[C@@H](CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCO1 ZINC001605154478 1097035534 /nfs/dbraw/zinc/03/55/34/1097035534.db2.gz KANBYRGFTCTFGT-DOTOQJQBSA-N -1 0 330.380 2.875 20 30 EFEDRM CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001605164615 1097039310 /nfs/dbraw/zinc/03/93/10/1097039310.db2.gz GDGAHSDNPAKYOE-OCCSQVGLSA-N -1 0 336.413 2.504 20 30 EFEDRM CC/C=C\[C@H](OC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001605185208 1097046647 /nfs/dbraw/zinc/04/66/47/1097046647.db2.gz ZDJXWBJWLVLVSE-FAOGRTBUSA-N -1 0 339.351 2.629 20 30 EFEDRM CCCCCCCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001605267058 1097074230 /nfs/dbraw/zinc/07/42/30/1097074230.db2.gz DLQDQKSZDNQYMO-UHFFFAOYSA-N -1 0 326.418 2.780 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001605267522 1097074351 /nfs/dbraw/zinc/07/43/51/1097074351.db2.gz XTROXBJYBSIYAH-ZBFHGGJFSA-N -1 0 342.480 2.850 20 30 EFEDRM CCCN(CC(=O)[O-])CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC001605309646 1097089644 /nfs/dbraw/zinc/08/96/44/1097089644.db2.gz ZUDVGRSZTXOQJZ-ZDUSSCGKSA-N -1 0 349.456 2.673 20 30 EFEDRM CCCN(Cc1noc(CCCC(=O)[O-])n1)Cc1ccc(C#N)cc1 ZINC001605317550 1097093023 /nfs/dbraw/zinc/09/30/23/1097093023.db2.gz POLVXJBEZDHCIR-UHFFFAOYSA-N -1 0 342.399 2.761 20 30 EFEDRM COc1ccccc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001605329588 1097098323 /nfs/dbraw/zinc/09/83/23/1097098323.db2.gz CEYMGDCWXNAQIE-UHFFFAOYSA-N -1 0 341.375 2.823 20 30 EFEDRM CCCOc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1F ZINC001605342289 1097101780 /nfs/dbraw/zinc/10/17/80/1097101780.db2.gz ZXKXJQNALSJVBH-UHFFFAOYSA-N -1 0 349.362 2.837 20 30 EFEDRM CCCc1c(NC(=O)[C@@H](CC)C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001605370363 1097107293 /nfs/dbraw/zinc/10/72/93/1097107293.db2.gz HOFXJCVIXWSLGQ-CQSZACIVSA-N -1 0 340.383 2.746 20 30 EFEDRM CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001605393717 1097116020 /nfs/dbraw/zinc/11/60/20/1097116020.db2.gz ILWMOSMKKNBUFZ-NSHDSACASA-N -1 0 343.408 2.945 20 30 EFEDRM CCN([C@@H](C)C#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001605405632 1097119571 /nfs/dbraw/zinc/11/95/71/1097119571.db2.gz UMIOPRKLAXFKRM-VIFPVBQESA-N -1 0 338.410 2.522 20 30 EFEDRM CCOC(=O)c1cc(C=NNc2cccc(F)c2C(=O)[O-])[nH]c1C ZINC001605565193 1097160004 /nfs/dbraw/zinc/16/00/04/1097160004.db2.gz FRABQZXWUJQHDV-UHFFFAOYSA-N -1 0 333.319 2.783 20 30 EFEDRM Cc1cc(C)n(N=Cc2cccc3ccccc23)c(=O)c1-c1nnn[n-]1 ZINC001605650420 1097179344 /nfs/dbraw/zinc/17/93/44/1097179344.db2.gz INDOXXSZPPFLLN-UHFFFAOYSA-N -1 0 344.378 2.681 20 30 EFEDRM CCOc1ccc(C#N)cc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001605677966 1097191727 /nfs/dbraw/zinc/19/17/27/1097191727.db2.gz RHRFRNHUNVZRGP-UHFFFAOYSA-N -1 0 339.351 2.706 20 30 EFEDRM CCOc1ccc2ccccc2c1C(=O)N(CC#N)CCC(=O)[O-] ZINC001605702515 1097199690 /nfs/dbraw/zinc/19/96/90/1097199690.db2.gz OTWZUHHLTNXCJU-UHFFFAOYSA-N -1 0 326.352 2.679 20 30 EFEDRM CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001605715734 1097205891 /nfs/dbraw/zinc/20/58/91/1097205891.db2.gz ZYFRYBGROSKBRT-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM CCc1cc(C(=O)[O-])c(NC(=O)COc2cccc(C#N)c2)s1 ZINC001605789274 1097224818 /nfs/dbraw/zinc/22/48/18/1097224818.db2.gz SGVBQUZUBBCYBC-UHFFFAOYSA-N -1 0 330.365 2.898 20 30 EFEDRM CCc1ccc(C#CC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001605803761 1097231969 /nfs/dbraw/zinc/23/19/69/1097231969.db2.gz AGQOWOSSMBSPPK-IBGZPJMESA-N -1 0 337.375 2.551 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC001605804092 1097232427 /nfs/dbraw/zinc/23/24/27/1097232427.db2.gz GZTSFJKYVJTRSN-FGTMMUONSA-N -1 0 325.408 2.702 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OS(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC001605807591 1097233408 /nfs/dbraw/zinc/23/34/08/1097233408.db2.gz MHIQFUTZFGKOJT-UHFFFAOYSA-N -1 0 345.376 2.728 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OC(=O)COc2cccc(C#N)c2)c1 ZINC001605806271 1097233952 /nfs/dbraw/zinc/23/39/52/1097233952.db2.gz MOYIHPQSGRHDIA-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001605807288 1097234265 /nfs/dbraw/zinc/23/42/65/1097234265.db2.gz BZKIPLICKDGMEI-AWEZNQCLSA-N -1 0 341.367 2.591 20 30 EFEDRM CCc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(C)=O)cc1 ZINC001605810157 1097234749 /nfs/dbraw/zinc/23/47/49/1097234749.db2.gz QPOZGNLCUGKLKG-INIZCTEOSA-N -1 0 342.395 2.653 20 30 EFEDRM CCc1oc(C=NN(C)C(=S)NCc2ccccc2)cc1C(=O)[O-] ZINC001605889141 1097266885 /nfs/dbraw/zinc/26/68/85/1097266885.db2.gz DXGLVVMOFNCBLS-UHFFFAOYSA-N -1 0 345.424 2.881 20 30 EFEDRM CCn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001605912215 1097273239 /nfs/dbraw/zinc/27/32/39/1097273239.db2.gz RQKALCKFYLZMJR-CQSZACIVSA-N -1 0 345.447 2.715 20 30 EFEDRM CCn1c(N2CCC[C@@H](CCC(=O)[O-])C2)nnc1C(C#N)(CC)CC ZINC001605911308 1097273288 /nfs/dbraw/zinc/27/32/88/1097273288.db2.gz JSTJTJIKNOJIPY-AWEZNQCLSA-N -1 0 347.463 2.961 20 30 EFEDRM CCn1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1Cl ZINC001605937118 1097280702 /nfs/dbraw/zinc/28/07/02/1097280702.db2.gz QWTDQJFOCGEXMJ-UHFFFAOYSA-N -1 0 347.758 2.792 20 30 EFEDRM CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605967502 1097288362 /nfs/dbraw/zinc/28/83/62/1097288362.db2.gz UKXGCVDZIVLGNG-OWCLPIDISA-N -1 0 329.400 2.926 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2-c2nn[nH]n2)n1 ZINC001606001408 1097295409 /nfs/dbraw/zinc/29/54/09/1097295409.db2.gz QOAVAASMYTUNBP-YBJDMEARSA-N -1 0 336.380 2.521 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(c2ccc(F)cc2)C2CC2)o1 ZINC001606019994 1097299586 /nfs/dbraw/zinc/29/95/86/1097299586.db2.gz QUPJKAUSJDWYOF-UHFFFAOYSA-N -1 0 327.323 2.528 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H](OC(C)C)c2ccccc2)o1 ZINC001606019567 1097299938 /nfs/dbraw/zinc/29/99/38/1097299938.db2.gz IQZMHLJDFSLJKR-CYBMUJFWSA-N -1 0 341.375 2.727 20 30 EFEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2ccc(C(=O)[O-])cc2F)c1 ZINC001606043675 1097306240 /nfs/dbraw/zinc/30/62/40/1097306240.db2.gz NCOGZIHPPQNQDV-UHFFFAOYSA-N -1 0 342.326 2.819 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)c(Cl)n1 ZINC001606052946 1097307867 /nfs/dbraw/zinc/30/78/67/1097307867.db2.gz JOPRBVMWWXTMHX-UHFFFAOYSA-N -1 0 344.758 2.623 20 30 EFEDRM CN(Cc1cc(C#N)ccn1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001606145495 1097327661 /nfs/dbraw/zinc/32/76/61/1097327661.db2.gz CEZRRVMIOSSVIJ-OAHLLOKOSA-N -1 0 335.285 2.628 20 30 EFEDRM CN(Cc1cc(C#N)ccn1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001606145493 1097328150 /nfs/dbraw/zinc/32/81/50/1097328150.db2.gz CEZRRVMIOSSVIJ-HNNXBMFYSA-N -1 0 335.285 2.628 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(CC#N)cc1 ZINC001606151128 1097329981 /nfs/dbraw/zinc/32/99/81/1097329981.db2.gz VQLNZGOFEAXMGC-UHFFFAOYSA-N -1 0 337.379 2.792 20 30 EFEDRM COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC#N)CCC(=O)[O-] ZINC001606340909 1097388165 /nfs/dbraw/zinc/38/81/65/1097388165.db2.gz CGYZJUUPHNTAQR-CYBMUJFWSA-N -1 0 345.182 2.508 20 30 EFEDRM COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(CC#N)CCC(=O)[O-] ZINC001606342255 1097388262 /nfs/dbraw/zinc/38/82/62/1097388262.db2.gz QEDVBILNCGTRNF-ZDUSSCGKSA-N -1 0 345.182 2.508 20 30 EFEDRM COC(=O)[C@@H](Sc1ncccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001606342488 1097388926 /nfs/dbraw/zinc/38/89/26/1097388926.db2.gz SFVAWYNXTNNZBN-ZDUSSCGKSA-N -1 0 328.349 2.658 20 30 EFEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001606343336 1097389927 /nfs/dbraw/zinc/38/99/27/1097389927.db2.gz YHGARKMLGATGMZ-HOTGVXAUSA-N -1 0 344.411 2.595 20 30 EFEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001606343340 1097390060 /nfs/dbraw/zinc/39/00/60/1097390060.db2.gz YHGARKMLGATGMZ-JKSUJKDBSA-N -1 0 344.411 2.595 20 30 EFEDRM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606363262 1097394017 /nfs/dbraw/zinc/39/40/17/1097394017.db2.gz FNXQUDVOQRIDGU-UHFFFAOYSA-N -1 0 330.307 2.737 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1C(F)(F)F ZINC001606377835 1097395448 /nfs/dbraw/zinc/39/54/48/1097395448.db2.gz RTVDUQPIIIIBPN-UHFFFAOYSA-N -1 0 348.244 2.602 20 30 EFEDRM N#Cc1ncc(Nc2ccc3c(c2)C=CCCC3)nc1-c1nnn[n-]1 ZINC001606398164 1097397907 /nfs/dbraw/zinc/39/79/07/1097397907.db2.gz OYFZSOOIKJPWBG-UHFFFAOYSA-N -1 0 330.355 2.621 20 30 EFEDRM O=C(C=Cc1nc(-c2nn[nH]n2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487118 1097406558 /nfs/dbraw/zinc/40/65/58/1097406558.db2.gz GLNDWWRHBYPNIZ-ONEGZZNKSA-N -1 0 333.760 2.578 20 30 EFEDRM COC(=O)c1cc(NC(=O)c2cc(C#N)ccc2C)ccc1C(=O)[O-] ZINC001606558769 1097419298 /nfs/dbraw/zinc/41/92/98/1097419298.db2.gz LSGAGRLLTVPUOB-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COC(=O)c1ccc(-c2ccc(CN(CC#N)CCC(=O)[O-])o2)cc1 ZINC001606572971 1097420559 /nfs/dbraw/zinc/42/05/59/1097420559.db2.gz YQPRNOXPCZWCNA-UHFFFAOYSA-N -1 0 342.351 2.533 20 30 EFEDRM COC(=O)c1cccc([C@H](Sc2ccncc2C#N)C(=O)[O-])c1 ZINC001606611743 1097429173 /nfs/dbraw/zinc/42/91/73/1097429173.db2.gz RUGIYGNVQUEQQM-AWEZNQCLSA-N -1 0 328.349 2.658 20 30 EFEDRM COCCN(CCC(=O)[O-])C(=O)c1sc2ccc(C#N)cc2c1C ZINC001606886833 1097466069 /nfs/dbraw/zinc/46/60/69/1097466069.db2.gz GXWGGQHTPFKHNT-UHFFFAOYSA-N -1 0 346.408 2.645 20 30 EFEDRM COCCOc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)c(C)c1 ZINC001606915141 1097472742 /nfs/dbraw/zinc/47/27/42/1097472742.db2.gz HAWDWPOSZOBMTM-UHFFFAOYSA-N -1 0 327.340 2.729 20 30 EFEDRM COCCOc1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1F ZINC001606915123 1097473149 /nfs/dbraw/zinc/47/31/49/1097473149.db2.gz FVKFWPKYNQJXHD-UHFFFAOYSA-N -1 0 331.303 2.559 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])oc2C)c1C ZINC001606932779 1097476239 /nfs/dbraw/zinc/47/62/39/1097476239.db2.gz KMWHNXPESLXVNC-AATRIKPKSA-N -1 0 332.356 2.642 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])oc2C)c1C ZINC001606932780 1097476258 /nfs/dbraw/zinc/47/62/58/1097476258.db2.gz KMWHNXPESLXVNC-WAYWQWQTSA-N -1 0 332.356 2.642 20 30 EFEDRM O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001606962610 1097481774 /nfs/dbraw/zinc/48/17/74/1097481774.db2.gz DIQWNOLBWXDYSI-RQOWECAXSA-N -1 0 344.327 2.662 20 30 EFEDRM COCc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001606965016 1097482889 /nfs/dbraw/zinc/48/28/89/1097482889.db2.gz XPUBKYDJUQQEMF-GOSISDBHSA-N -1 0 339.347 2.616 20 30 EFEDRM COCc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc(C(=O)[O-])c1 ZINC001606967058 1097483740 /nfs/dbraw/zinc/48/37/40/1097483740.db2.gz QCWBDVAWZICQLN-KRWDZBQOSA-N -1 0 331.372 2.689 20 30 EFEDRM CON1CCC(N=Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001606994752 1097492319 /nfs/dbraw/zinc/49/23/19/1097492319.db2.gz BQTQOULARIRAOM-UHFFFAOYSA-N -1 0 342.193 2.572 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001607065544 1097504005 /nfs/dbraw/zinc/50/40/05/1097504005.db2.gz SEVWVCARHAMIMQ-IJEWVQPXSA-N -1 0 342.395 2.672 20 30 EFEDRM COc1cc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)ccc1C#N ZINC001607086454 1097509995 /nfs/dbraw/zinc/50/99/95/1097509995.db2.gz QXOGJTBFIZZVIR-UHFFFAOYSA-N -1 0 345.380 2.638 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#N)cc2C)c1O ZINC001607103856 1097515864 /nfs/dbraw/zinc/51/58/64/1097515864.db2.gz MPFKFMLBHRLYDM-UHFFFAOYSA-N -1 0 326.308 2.531 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001607121789 1097523550 /nfs/dbraw/zinc/52/35/50/1097523550.db2.gz CHOYHCUVCXKFMU-UHFFFAOYSA-N -1 0 336.347 2.935 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC001607126076 1097528167 /nfs/dbraw/zinc/52/81/67/1097528167.db2.gz JAEADRNCROLSAP-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COc1cc(CNc2ccc(C(=O)[O-])nc2C#N)ccc1OC(F)F ZINC001607165232 1097548336 /nfs/dbraw/zinc/54/83/36/1097548336.db2.gz TZFNKJLNKFWXHS-UHFFFAOYSA-N -1 0 349.293 2.874 20 30 EFEDRM COc1cc(O[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001607181526 1097553984 /nfs/dbraw/zinc/55/39/84/1097553984.db2.gz DYRTXPWFXMFOBX-LLVKDONJSA-N -1 0 340.335 2.671 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607201545 1097558354 /nfs/dbraw/zinc/55/83/54/1097558354.db2.gz JPXCROXLMZQCLT-UHFFFAOYSA-N -1 0 325.320 2.551 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001607202050 1097558383 /nfs/dbraw/zinc/55/83/83/1097558383.db2.gz XUKRIAIUMIAZAS-UHFFFAOYSA-N -1 0 331.372 2.866 20 30 EFEDRM COc1ccc(C(C)C)cc1Cn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001607220590 1097564776 /nfs/dbraw/zinc/56/47/76/1097564776.db2.gz RVUOGDSQYVUTTO-UHFFFAOYSA-N -1 0 326.352 2.598 20 30 EFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C#N)c2C)cc1 ZINC001607223270 1097565521 /nfs/dbraw/zinc/56/55/21/1097565521.db2.gz ASGWMGQLSIXPQD-QGZVFWFLSA-N -1 0 338.363 2.821 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccsc1C#N ZINC001607242531 1097572497 /nfs/dbraw/zinc/57/24/97/1097572497.db2.gz LOXSXMRUHWJOKN-HWKANZROSA-N -1 0 329.333 2.945 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C#N ZINC001607257742 1097576930 /nfs/dbraw/zinc/57/69/30/1097576930.db2.gz IXIDQUGARAXTMS-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc(CNc2ccc(C(=O)[O-])nc2C#N)c(C)c1OC ZINC001607261400 1097577940 /nfs/dbraw/zinc/57/79/40/1097577940.db2.gz SOYHUESYIZQKCO-UHFFFAOYSA-N -1 0 327.340 2.589 20 30 EFEDRM COc1ccc2c(c1)CC/C(=C/c1c(C)n(C)nc1C(=O)[O-])C2=O ZINC001607293313 1097587009 /nfs/dbraw/zinc/58/70/09/1097587009.db2.gz FNZDEZYAMILSDU-XFXZXTDPSA-N -1 0 326.352 2.648 20 30 EFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(C#N)ccc2OC)c1 ZINC001607310584 1097595012 /nfs/dbraw/zinc/59/50/12/1097595012.db2.gz SNDIMZRKYAIWKF-SFHVURJKSA-N -1 0 340.379 2.833 20 30 EFEDRM CSc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC001607408489 1097621833 /nfs/dbraw/zinc/62/18/33/1097621833.db2.gz JWGKHPGZVIEFDD-QWHCGFSZSA-N -1 0 332.425 2.787 20 30 EFEDRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC#N)CCC(=O)[O-] ZINC001607463369 1097633648 /nfs/dbraw/zinc/63/36/48/1097633648.db2.gz USDAPBARMMRXIS-VIFPVBQESA-N -1 0 345.182 2.588 20 30 EFEDRM C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001607470136 1097634459 /nfs/dbraw/zinc/63/44/59/1097634459.db2.gz DYQXIKWCUQTNLZ-NUEKZKHPSA-N -1 0 329.400 2.784 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C#N)oc2C)c(C)c1C(=O)[O-] ZINC001607485570 1097638706 /nfs/dbraw/zinc/63/87/06/1097638706.db2.gz FVZKEMBQNJCJSJ-JTQLQIEISA-N -1 0 344.323 2.531 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001607484993 1097638885 /nfs/dbraw/zinc/63/88/85/1097638885.db2.gz QEBJMWOQADKTJU-AWEZNQCLSA-N -1 0 337.379 2.743 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001607485974 1097638895 /nfs/dbraw/zinc/63/88/95/1097638895.db2.gz YDSMELFRUADHSE-ZDUSSCGKSA-N -1 0 335.722 2.543 20 30 EFEDRM Cc1c(C#N)c(N2CCSC[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC001607504493 1097644981 /nfs/dbraw/zinc/64/49/81/1097644981.db2.gz NLUREJOSBLVIAM-LBPRGKRZSA-N -1 0 327.409 2.669 20 30 EFEDRM Cc1c(C#N)cccc1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001607504451 1097645185 /nfs/dbraw/zinc/64/51/85/1097645185.db2.gz MYOCTHLFEAKUEB-UHFFFAOYSA-N -1 0 327.344 2.527 20 30 EFEDRM Cc1c(C(=O)[O-])csc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001607520875 1097650144 /nfs/dbraw/zinc/65/01/44/1097650144.db2.gz RJMCSGKEMUJJPN-CYBMUJFWSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)C(C)C ZINC001607531032 1097653582 /nfs/dbraw/zinc/65/35/82/1097653582.db2.gz IPTAYUPAVYPYRH-UHFFFAOYSA-N -1 0 344.820 2.659 20 30 EFEDRM Cc1c(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)ccc(Br)c1C#N ZINC001607548701 1097658111 /nfs/dbraw/zinc/65/81/11/1097658111.db2.gz FMFDOWSTLQCUPC-DTORHVGOSA-N -1 0 337.173 2.679 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001607564294 1097661675 /nfs/dbraw/zinc/66/16/75/1097661675.db2.gz DBXXRJVWZSWOJH-UHFFFAOYSA-N -1 0 344.396 2.686 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C[S@](=O)Cc1cccc(C(=O)[O-])n1 ZINC001607566123 1097662669 /nfs/dbraw/zinc/66/26/69/1097662669.db2.gz ZQFOBOXITDMCDN-HSZRJFAPSA-N -1 0 328.393 2.717 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001607565784 1097662809 /nfs/dbraw/zinc/66/28/09/1097662809.db2.gz RDJZGZWUEUUSLZ-FVRSWCFKSA-N -1 0 344.436 2.726 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](CCCc2ccccc2)C(=O)[O-])ncc1C#N ZINC001607605195 1097673315 /nfs/dbraw/zinc/67/33/15/1097673315.db2.gz IZEZNWXQDGETTJ-KRWDZBQOSA-N -1 0 338.363 2.895 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001607614241 1097677912 /nfs/dbraw/zinc/67/79/12/1097677912.db2.gz FKLLMZLTOULGBS-INIZCTEOSA-N -1 0 326.327 2.870 20 30 EFEDRM Cc1cc(C)cc([C@@H](NC(=O)c2ncc(C#N)cc2Cl)C(=O)[O-])c1 ZINC001607627675 1097682279 /nfs/dbraw/zinc/68/22/79/1097682279.db2.gz ZQBBZWMGFWMTOV-CQSZACIVSA-N -1 0 343.770 2.779 20 30 EFEDRM Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607676579 1097696288 /nfs/dbraw/zinc/69/62/88/1097696288.db2.gz FTKHWPXBNQDZND-STQMWFEESA-N -1 0 329.400 2.762 20 30 EFEDRM Cc1cc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)ncc1C#N ZINC001607681948 1097697265 /nfs/dbraw/zinc/69/72/65/1097697265.db2.gz BZEIIYJFSJBLNF-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1cc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])c(C#N)cc1N(C)C ZINC001607685484 1097698899 /nfs/dbraw/zinc/69/88/99/1097698899.db2.gz GDMVCMZNUFJVJH-AWEZNQCLSA-N -1 0 344.415 2.555 20 30 EFEDRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c(C)c1C#N ZINC001607702491 1097703997 /nfs/dbraw/zinc/70/39/97/1097703997.db2.gz VKPZENCVMPYIOQ-UHFFFAOYSA-N -1 0 335.337 2.542 20 30 EFEDRM Cc1ccc(C#N)cc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001607724593 1097710533 /nfs/dbraw/zinc/71/05/33/1097710533.db2.gz UMPSAHCFZADYIW-UHFFFAOYSA-N -1 0 329.381 2.938 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001607724986 1097710580 /nfs/dbraw/zinc/71/05/80/1097710580.db2.gz IZEBWIMDHLRPQH-KHPPLWFESA-N -1 0 329.396 2.980 20 30 EFEDRM Cc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001607729988 1097712306 /nfs/dbraw/zinc/71/23/06/1097712306.db2.gz MAUIJLPJYFUBDJ-CYBMUJFWSA-N -1 0 338.363 2.821 20 30 EFEDRM Cc1ccc(F)c2c1NC(=O)C2=NNc1cccc(F)c1C(=O)[O-] ZINC001607789878 1097733814 /nfs/dbraw/zinc/73/38/14/1097733814.db2.gz NMSNNFVRAXMKOI-UHFFFAOYSA-N -1 0 331.278 2.740 20 30 EFEDRM Cc1ccc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)nc1C#N ZINC001607792638 1097735416 /nfs/dbraw/zinc/73/54/16/1097735416.db2.gz LOMFTGJPTNAMKJ-UHFFFAOYSA-N -1 0 342.424 2.876 20 30 EFEDRM Cc1ccc(NN=C2CCCc3c(C#N)c(=O)[nH]cc32)cc1C(=O)[O-] ZINC001607808129 1097740407 /nfs/dbraw/zinc/74/04/07/1097740407.db2.gz DTMLOQNFMQGTGB-UHFFFAOYSA-N -1 0 336.351 2.818 20 30 EFEDRM Cc1ccc(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001607813327 1097741226 /nfs/dbraw/zinc/74/12/26/1097741226.db2.gz NTTBMWJRJWRSPQ-UHFFFAOYSA-N -1 0 325.320 2.687 20 30 EFEDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cccc(SCC#N)c2)n1 ZINC001607854466 1097755132 /nfs/dbraw/zinc/75/51/32/1097755132.db2.gz FDWLFTZNEMOLOZ-UHFFFAOYSA-N -1 0 341.392 2.737 20 30 EFEDRM Cc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)c1ccccc1OCC#N ZINC001607866641 1097759586 /nfs/dbraw/zinc/75/95/86/1097759586.db2.gz UHVSGLMECMPYTQ-INIZCTEOSA-N -1 0 336.347 2.554 20 30 EFEDRM Cc1cccc2cc(C(=O)N(CC#N)CCC(=O)[O-])c(Cl)nc12 ZINC001607867795 1097760595 /nfs/dbraw/zinc/76/05/95/1097760595.db2.gz PKGLUKGQUPVXQI-UHFFFAOYSA-N -1 0 331.759 2.637 20 30 EFEDRM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001607941307 1097783026 /nfs/dbraw/zinc/78/30/26/1097783026.db2.gz XRXMKEHOXVAUGW-UHFFFAOYSA-N -1 0 347.371 2.698 20 30 EFEDRM Cc1nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1C#N ZINC001607948901 1097785528 /nfs/dbraw/zinc/78/55/28/1097785528.db2.gz FXIWBIXAUYNOBG-CQSZACIVSA-N -1 0 330.727 2.898 20 30 EFEDRM Cc1nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)ccc1C(=O)[O-] ZINC001607966639 1097792149 /nfs/dbraw/zinc/79/21/49/1097792149.db2.gz ZMBUUQQFFHVXQZ-UHFFFAOYSA-N -1 0 333.351 2.962 20 30 EFEDRM Cc1ncc(NC(=O)CSc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001607979920 1097795244 /nfs/dbraw/zinc/79/52/44/1097795244.db2.gz BHKXWHKKDWGILV-UHFFFAOYSA-N -1 0 327.365 2.691 20 30 EFEDRM Cc1ncc(NC(=O)c2cccc(SCC#N)c2)cc1C(=O)[O-] ZINC001607982451 1097796088 /nfs/dbraw/zinc/79/60/88/1097796088.db2.gz PTRDWXKYLQRFKS-UHFFFAOYSA-N -1 0 327.365 2.956 20 30 EFEDRM Cc1nn(-c2ccccc2)c(COC(=O)C[C@@H](C)CC(=O)[O-])c1C#N ZINC001607995172 1097799280 /nfs/dbraw/zinc/79/92/80/1097799280.db2.gz FTXAFUVYNUWWAW-LBPRGKRZSA-N -1 0 341.367 2.597 20 30 EFEDRM Cc1nn(-c2ccccc2Cl)cc1CN(CC#N)CCC(=O)[O-] ZINC001607995236 1097799484 /nfs/dbraw/zinc/79/94/84/1097799484.db2.gz HLRVZDLDOFLDQS-UHFFFAOYSA-N -1 0 332.791 2.634 20 30 EFEDRM Cc1nn(-c2ccccc2)c(COC(=O)C[C@H](C)CC(=O)[O-])c1C#N ZINC001607995171 1097799672 /nfs/dbraw/zinc/79/96/72/1097799672.db2.gz FTXAFUVYNUWWAW-GFCCVEGCSA-N -1 0 341.367 2.597 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1Nc1nc(C#N)c(Cl)s1 ZINC001608009011 1097803532 /nfs/dbraw/zinc/80/35/32/1097803532.db2.gz CZMNZRKIZQSHLQ-UHFFFAOYSA-N -1 0 325.781 2.700 20 30 EFEDRM Cc1nnc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)c(C#N)c1C ZINC001608017362 1097805757 /nfs/dbraw/zinc/80/57/57/1097805757.db2.gz WNQIIDSZJHLMAH-UHFFFAOYSA-N -1 0 339.380 2.832 20 30 EFEDRM Cc1noc(C2CC2)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001608025017 1097808961 /nfs/dbraw/zinc/80/89/61/1097808961.db2.gz ORQPJXJISROYGX-HNNXBMFYSA-N -1 0 326.308 2.715 20 30 EFEDRM Cc1oc(CN2CCN(c3cccc(F)c3C#N)CC2)cc1C(=O)[O-] ZINC001608050668 1097816951 /nfs/dbraw/zinc/81/69/51/1097816951.db2.gz OBXURXCHXBUOEN-UHFFFAOYSA-N -1 0 343.358 2.619 20 30 EFEDRM Cc1oc(CON=C(N)c2nccc3ccccc32)cc1C(=O)[O-] ZINC001608052816 1097817953 /nfs/dbraw/zinc/81/79/53/1097817953.db2.gz ZZLUQLJQERFWHW-UHFFFAOYSA-N -1 0 325.324 2.672 20 30 EFEDRM Cc1oc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cc1C(=O)[O-] ZINC001608052048 1097818232 /nfs/dbraw/zinc/81/82/32/1097818232.db2.gz VZLBDWITVCDOES-LLVKDONJSA-N -1 0 329.308 2.669 20 30 EFEDRM Cc1onc(-c2cccc(Cl)c2)c1C(=O)N(CC#N)CCC(=O)[O-] ZINC001608057554 1097819457 /nfs/dbraw/zinc/81/94/57/1097819457.db2.gz JMWRBXZSQIROQR-UHFFFAOYSA-N -1 0 347.758 2.744 20 30 EFEDRM Cc1onc(-c2cccs2)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001608058642 1097819903 /nfs/dbraw/zinc/81/99/03/1097819903.db2.gz LIQJNLPTALRURT-UHFFFAOYSA-N -1 0 345.380 2.542 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001608061013 1097820359 /nfs/dbraw/zinc/82/03/59/1097820359.db2.gz JAJMWGZPISBMFA-CYBMUJFWSA-N -1 0 339.376 2.947 20 30 EFEDRM Cc1sc([C@@H]2CCCN2Cc2ccc(C#N)cn2)nc1C(=O)[O-] ZINC001608067376 1097823297 /nfs/dbraw/zinc/82/32/97/1097823297.db2.gz HOJAKIHWMLWXMK-ZDUSSCGKSA-N -1 0 328.397 2.754 20 30 EFEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001608084876 1097829402 /nfs/dbraw/zinc/82/94/02/1097829402.db2.gz IRCWKUIHXVGOCG-PIHIASKNSA-N -1 0 337.379 2.785 20 30 EFEDRM Cn1c(C(=O)[O-])ccc1C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC001608083146 1097829442 /nfs/dbraw/zinc/82/94/42/1097829442.db2.gz ZLDBJTQCBJXCOR-UHFFFAOYSA-N -1 0 331.416 2.952 20 30 EFEDRM Cn1cc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1C(=O)[O-] ZINC001608120528 1097840317 /nfs/dbraw/zinc/84/03/17/1097840317.db2.gz ZUOKRRALOWZGGA-UHFFFAOYSA-N -1 0 337.295 2.795 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001608170625 1097849302 /nfs/dbraw/zinc/84/93/02/1097849302.db2.gz VBXHTMBKSRKPMB-IIAWOOMASA-N -1 0 339.391 2.887 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001608170548 1097849969 /nfs/dbraw/zinc/84/99/69/1097849969.db2.gz QSDSHYRUXDOTLW-DZGCQCFKSA-N -1 0 328.393 2.763 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3scnc3c2)CC1 ZINC001608172184 1097850367 /nfs/dbraw/zinc/85/03/67/1097850367.db2.gz DYWZPSSGBLLLJK-UHFFFAOYSA-N -1 0 330.369 2.519 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC001608171703 1097850405 /nfs/dbraw/zinc/85/04/05/1097850405.db2.gz QEZPOPPGDSIICT-UHFFFAOYSA-N -1 0 338.816 2.649 20 30 EFEDRM N#CC1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CCSCC1 ZINC001608172179 1097850636 /nfs/dbraw/zinc/85/06/36/1097850636.db2.gz NYXGQQAYGBKHRH-UHFFFAOYSA-N -1 0 337.426 2.694 20 30 EFEDRM N#CC1(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCSCC1 ZINC001608171972 1097850777 /nfs/dbraw/zinc/85/07/77/1097850777.db2.gz KJLKRAVPWUHHGP-UHFFFAOYSA-N -1 0 334.397 2.516 20 30 EFEDRM N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC001608173260 1097850882 /nfs/dbraw/zinc/85/08/82/1097850882.db2.gz DKAMOPPLGUJVMI-MRXNPFEDSA-N -1 0 339.395 2.997 20 30 EFEDRM N#CC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCCC1 ZINC001608174848 1097851444 /nfs/dbraw/zinc/85/14/44/1097851444.db2.gz DLBSLYDWNFCYME-HNAYVOBHSA-N -1 0 326.396 2.835 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001608174013 1097851785 /nfs/dbraw/zinc/85/17/85/1097851785.db2.gz QLUIEPXWOCESCW-CQSZACIVSA-N -1 0 327.409 2.833 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC(CC(=O)[O-])C1 ZINC001608174250 1097851861 /nfs/dbraw/zinc/85/18/61/1097851861.db2.gz WFRJLMFYIVBWAZ-OKEQZYBDSA-N -1 0 341.411 2.721 20 30 EFEDRM N#CC1(CCCOC(=O)/C=C\c2cc(C(=O)[O-])co2)CCOCC1 ZINC001608175388 1097851922 /nfs/dbraw/zinc/85/19/22/1097851922.db2.gz XHZYRRQQXDACJE-IHWYPQMZSA-N -1 0 333.340 2.635 20 30 EFEDRM N#CC1(CC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)CC1 ZINC001608175876 1097852319 /nfs/dbraw/zinc/85/23/19/1097852319.db2.gz JRPFXRYCPVAURP-UHFFFAOYSA-N -1 0 342.273 2.958 20 30 EFEDRM N#C[C@@]1(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)CC2CCC1CC2 ZINC001608175417 1097852392 /nfs/dbraw/zinc/85/23/92/1097852392.db2.gz BCBAUBVLYDSEAZ-JBAZFKOSSA-N -1 0 341.363 2.831 20 30 EFEDRM N#CCCCCNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001608180014 1097852843 /nfs/dbraw/zinc/85/28/43/1097852843.db2.gz FWRVYBFSHGLPIF-LBPRGKRZSA-N -1 0 343.305 2.981 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001608181567 1097853405 /nfs/dbraw/zinc/85/34/05/1097853405.db2.gz LQPOPQPPHBNTQZ-GFCCVEGCSA-N -1 0 325.368 2.561 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC001608185266 1097853769 /nfs/dbraw/zinc/85/37/69/1097853769.db2.gz JYOXVZKQWQTIEG-CMDGGOBGSA-N -1 0 342.395 2.848 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC001608183822 1097853916 /nfs/dbraw/zinc/85/39/16/1097853916.db2.gz MAPITZKTGCPYKP-QGZVFWFLSA-N -1 0 329.400 2.572 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001608184353 1097853955 /nfs/dbraw/zinc/85/39/55/1097853955.db2.gz WEPGBKFRURKFHI-XFXZXTDPSA-N -1 0 344.264 2.843 20 30 EFEDRM N#CCCN(C(=O)CN(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001608183036 1097854388 /nfs/dbraw/zinc/85/43/88/1097854388.db2.gz VEMPKSLCSQAHRA-UHFFFAOYSA-N -1 0 343.427 2.653 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC001608185068 1097854427 /nfs/dbraw/zinc/85/44/27/1097854427.db2.gz ARLJXHAEFBUAMM-UHFFFAOYSA-N -1 0 337.788 2.837 20 30 EFEDRM N#CCCCn1cc(C(=O)NC2CC(CC(=O)[O-])C2)c2ccccc21 ZINC001608183324 1097854523 /nfs/dbraw/zinc/85/45/23/1097854523.db2.gz ZHKSQTAKAAXLML-UHFFFAOYSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCOc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001608189022 1097854846 /nfs/dbraw/zinc/85/48/46/1097854846.db2.gz VUSAHUMZWBYVMF-UHFFFAOYSA-N -1 0 341.323 2.736 20 30 EFEDRM N#CCOc1ccc(CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001608188722 1097855059 /nfs/dbraw/zinc/85/50/59/1097855059.db2.gz KKZVNTKYSAAOED-UHFFFAOYSA-N -1 0 344.411 2.815 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001608188458 1097855082 /nfs/dbraw/zinc/85/50/82/1097855082.db2.gz FXBNXVJZUSYJMC-UHFFFAOYSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCc1ccccc1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608189481 1097855214 /nfs/dbraw/zinc/85/52/14/1097855214.db2.gz VJHUCQTXEQQRQR-TXKKKEFDSA-N -1 0 344.436 2.611 20 30 EFEDRM N#CCc1ccccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001608189206 1097855236 /nfs/dbraw/zinc/85/52/36/1097855236.db2.gz HUGURYFLMDEZTK-UHFFFAOYSA-N -1 0 329.381 2.869 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001608188723 1097855305 /nfs/dbraw/zinc/85/53/05/1097855305.db2.gz KMYHULQHIIMNHJ-UHFFFAOYSA-N -1 0 342.326 2.998 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001608188927 1097855325 /nfs/dbraw/zinc/85/53/25/1097855325.db2.gz QJYKPMOHHBCOBU-KRWDZBQOSA-N -1 0 343.310 2.640 20 30 EFEDRM N#CCc1ccccc1CC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001608189196 1097855662 /nfs/dbraw/zinc/85/56/62/1097855662.db2.gz HJWTZFRLVCXEII-UHFFFAOYSA-N -1 0 334.331 2.608 20 30 EFEDRM N#Cc1c(F)cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC001608192055 1097855834 /nfs/dbraw/zinc/85/58/34/1097855834.db2.gz HLRAOYPJBTVUOB-UHFFFAOYSA-N -1 0 328.274 2.691 20 30 EFEDRM N#Cc1c(Cl)cccc1S[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001608192067 1097855841 /nfs/dbraw/zinc/85/58/41/1097855841.db2.gz HVSIDRAPMKANIY-ZDUSSCGKSA-N -1 0 338.816 2.769 20 30 EFEDRM N#Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1C(=O)[O-] ZINC001608191194 1097855917 /nfs/dbraw/zinc/85/59/17/1097855917.db2.gz IMRQJUAFDICLQI-JQHSSLGASA-N -1 0 328.412 2.772 20 30 EFEDRM N#CCc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608189510 1097856028 /nfs/dbraw/zinc/85/60/28/1097856028.db2.gz WWWJZBXHUZCMLI-RTBURBONSA-N -1 0 348.402 2.622 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc2ccccc21 ZINC001608190435 1097856113 /nfs/dbraw/zinc/85/61/13/1097856113.db2.gz RTBDKSOQIXNRAT-GXTWGEPZSA-N -1 0 325.368 2.538 20 30 EFEDRM N#Cc1c(COC(=O)CCCc2ccccc2N)cccc1C(=O)[O-] ZINC001608190318 1097856202 /nfs/dbraw/zinc/85/62/02/1097856202.db2.gz CZZAYZNJWKHCSV-UHFFFAOYSA-N -1 0 338.363 2.905 20 30 EFEDRM N#Cc1c(COC(=O)c2c[nH]c(Br)c2)cccc1C(=O)[O-] ZINC001608190899 1097856597 /nfs/dbraw/zinc/85/65/97/1097856597.db2.gz LDFZZQSXVUKEHZ-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#CCn1c(C(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC001608190353 1097856604 /nfs/dbraw/zinc/85/66/04/1097856604.db2.gz PCGMHBPBXVEUSQ-KGLIPLIRSA-N -1 0 326.352 2.965 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc(-n3cccn3)cc2)cccc1C(=O)[O-] ZINC001608191063 1097856727 /nfs/dbraw/zinc/85/67/27/1097856727.db2.gz OCFUKIWOENMCPL-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001608190956 1097856934 /nfs/dbraw/zinc/85/69/34/1097856934.db2.gz FJRGFEYONOHSMQ-OAHLLOKOSA-N -1 0 325.368 2.803 20 30 EFEDRM N#Cc1c(Cn2ccnc2[C@H](O)c2cccs2)cccc1C(=O)[O-] ZINC001608192520 1097857244 /nfs/dbraw/zinc/85/72/44/1097857244.db2.gz RMLGYYNJMXYJJL-OAHLLOKOSA-N -1 0 339.376 2.644 20 30 EFEDRM N#Cc1c(COC(=O)c2ccnn2C2CCC2)cccc1C(=O)[O-] ZINC001608192430 1097857538 /nfs/dbraw/zinc/85/75/38/1097857538.db2.gz OCXGTWSECRVONV-UHFFFAOYSA-N -1 0 325.324 2.535 20 30 EFEDRM N#Cc1c[nH]c(C(=O)OCc2cc(Br)ccc2C(=O)[O-])c1 ZINC001608195618 1097858256 /nfs/dbraw/zinc/85/82/56/1097858256.db2.gz USYNXLREJNPCFG-UHFFFAOYSA-N -1 0 349.140 2.704 20 30 EFEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(C(=O)[O-])c3N)CC2)c1 ZINC001608196889 1097858966 /nfs/dbraw/zinc/85/89/66/1097858966.db2.gz JWAQZEATBWQLNM-UHFFFAOYSA-N -1 0 339.326 2.648 20 30 EFEDRM N#Cc1cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)ccc1Cl ZINC001608195905 1097858975 /nfs/dbraw/zinc/85/89/75/1097858975.db2.gz IDXCOKAETIMZOR-UHFFFAOYSA-N -1 0 335.772 2.938 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001608198891 1097859372 /nfs/dbraw/zinc/85/93/72/1097859372.db2.gz IFCFCJJFSUYISD-VURMDHGXSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)o1 ZINC001608199898 1097859744 /nfs/dbraw/zinc/85/97/44/1097859744.db2.gz RBPVEJWFJYQANU-UHFFFAOYSA-N -1 0 328.309 2.553 20 30 EFEDRM N#Cc1ccc(Br)cc1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001608199120 1097859975 /nfs/dbraw/zinc/85/99/75/1097859975.db2.gz SLAIBNNRRDEJNO-UHFFFAOYSA-N -1 0 334.173 2.516 20 30 EFEDRM N#Cc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)nc1Cl ZINC001608199200 1097860115 /nfs/dbraw/zinc/86/01/15/1097860115.db2.gz XKOOKNMQJHCOLN-UHFFFAOYSA-N -1 0 347.733 2.867 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCc3ccccc3O2)C(=O)[O-])cc1 ZINC001608202267 1097860777 /nfs/dbraw/zinc/86/07/77/1097860777.db2.gz NOEKRKIWGOOZQG-IRXDYDNUSA-N -1 0 337.331 2.621 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)n(C[C@@H]2CCCC[C@H]2C(=O)[O-])c1=O ZINC001608201408 1097860960 /nfs/dbraw/zinc/86/09/60/1097860960.db2.gz ATJDLMHVWKHWFU-WDEREUQCSA-N -1 0 328.290 2.630 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cn1 ZINC001608200656 1097861043 /nfs/dbraw/zinc/86/10/43/1097861043.db2.gz NYZIWGXOYBRKDX-CQSZACIVSA-N -1 0 335.363 2.501 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c(N2CCSC[C@H](C(=O)[O-])C2)c1 ZINC001608202630 1097861203 /nfs/dbraw/zinc/86/12/03/1097861203.db2.gz UVBSSWPPDWCYSL-SNVBAGLBSA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2OCCc3ccccc32)C(=O)[O-])cc1 ZINC001608203706 1097861789 /nfs/dbraw/zinc/86/17/89/1097861789.db2.gz RWQFEOWTEYNEAW-SJORKVTESA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001608204441 1097861796 /nfs/dbraw/zinc/86/17/96/1097861796.db2.gz GSOWBPVVCNUQDV-KRWDZBQOSA-N -1 0 334.331 2.682 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001608204311 1097861934 /nfs/dbraw/zinc/86/19/34/1097861934.db2.gz BQRQSZNQGDDJFQ-VQIMIIECSA-N -1 0 326.396 2.594 20 30 EFEDRM N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)s1 ZINC001608204873 1097862249 /nfs/dbraw/zinc/86/22/49/1097862249.db2.gz NBJFSRBDAOYBBZ-UHFFFAOYSA-N -1 0 339.376 2.589 20 30 EFEDRM N#Cc1ccc(C2(NC(=O)Nc3ccc(C(=O)[O-])nc3)CCC2)cc1 ZINC001608203321 1097862282 /nfs/dbraw/zinc/86/22/82/1097862282.db2.gz GWPKSIVFNATTMQ-UHFFFAOYSA-N -1 0 336.351 2.852 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC001608203612 1097862376 /nfs/dbraw/zinc/86/23/76/1097862376.db2.gz REVDEBCCTASJOR-SJLPKXTDSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1ccc(Cn2nnc(-c3ccc(C(=O)[O-])cc3)n2)c(Cl)c1 ZINC001608207028 1097862690 /nfs/dbraw/zinc/86/26/90/1097862690.db2.gz UVMKJCYQASKCNF-UHFFFAOYSA-N -1 0 339.742 2.612 20 30 EFEDRM N#Cc1ccc(F)cc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001608205867 1097862777 /nfs/dbraw/zinc/86/27/77/1097862777.db2.gz BVZDJLUNQZONAI-JKSUJKDBSA-N -1 0 326.327 2.708 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1F ZINC001608204965 1097862981 /nfs/dbraw/zinc/86/29/81/1097862981.db2.gz QKVXURARKLQQMO-UHFFFAOYSA-N -1 0 333.363 2.532 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC001608206548 1097862994 /nfs/dbraw/zinc/86/29/94/1097862994.db2.gz ZBANRBKHOAJZCQ-UHFFFAOYSA-N -1 0 344.754 2.719 20 30 EFEDRM N#Cc1ccc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001608207566 1097863010 /nfs/dbraw/zinc/86/30/10/1097863010.db2.gz MIPFTJAUDWDQJX-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1F ZINC001608205075 1097863145 /nfs/dbraw/zinc/86/31/45/1097863145.db2.gz SRUJJVDMURRDJS-UHFFFAOYSA-N -1 0 345.305 2.534 20 30 EFEDRM N#Cc1ccc(OCCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001608210520 1097863895 /nfs/dbraw/zinc/86/38/95/1097863895.db2.gz QNEUAYGKIOWXAQ-UHFFFAOYSA-N -1 0 328.280 2.622 20 30 EFEDRM N#Cc1ccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001608209430 1097863924 /nfs/dbraw/zinc/86/39/24/1097863924.db2.gz QVRUSLOZOPAWSC-UHFFFAOYSA-N -1 0 330.227 2.523 20 30 EFEDRM N#Cc1ccc(NC(=O)CNc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001608208137 1097864163 /nfs/dbraw/zinc/86/41/63/1097864163.db2.gz FOABMYLYSBGNHW-UHFFFAOYSA-N -1 0 331.278 2.585 20 30 EFEDRM N#Cc1ccc(NC(=O)CCc2ocnc2C(=O)[O-])c(C2CC2)c1 ZINC001608208098 1097864265 /nfs/dbraw/zinc/86/42/65/1097864265.db2.gz BCLNAHIBSFTZPP-UHFFFAOYSA-N -1 0 325.324 2.693 20 30 EFEDRM N#Cc1ccc2ncc(CN3[C@H](C(=O)[O-])CC[C@H]3c3ccccc3)n2c1 ZINC001608215064 1097865874 /nfs/dbraw/zinc/86/58/74/1097865874.db2.gz XEJPEAJASUAFKC-ROUUACIJSA-N -1 0 346.390 2.996 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2c[nH]c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001608216325 1097866055 /nfs/dbraw/zinc/86/60/55/1097866055.db2.gz HRISTUOISZJTBL-GFCCVEGCSA-N -1 0 338.241 2.888 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CNc2ccccc2Cl)C(=O)[O-])c1 ZINC001608216690 1097867109 /nfs/dbraw/zinc/86/71/09/1097867109.db2.gz QOKJFYSRIGHFIE-INIZCTEOSA-N -1 0 344.754 2.993 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)CCSc2ccccn2)C(=O)[O-])c1 ZINC001608216752 1097867363 /nfs/dbraw/zinc/86/73/63/1097867363.db2.gz TYNJJWYJNCWGEO-INIZCTEOSA-N -1 0 342.376 2.805 20 30 EFEDRM N#Cc1cccc(CNC(=O)COc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001608217639 1097867466 /nfs/dbraw/zinc/86/74/66/1097867466.db2.gz MQIMPKMWNQAHHR-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001608217381 1097867529 /nfs/dbraw/zinc/86/75/29/1097867529.db2.gz BKVMLIHEYOVLNE-AWEZNQCLSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)COc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001608216657 1097867659 /nfs/dbraw/zinc/86/76/59/1097867659.db2.gz PRINHDWLIPLVEY-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001608220693 1097868402 /nfs/dbraw/zinc/86/84/02/1097868402.db2.gz HNZLTPZWNGYLMT-HUUCEWRRSA-N -1 0 337.335 2.771 20 30 EFEDRM N#Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001608218707 1097868424 /nfs/dbraw/zinc/86/84/24/1097868424.db2.gz WVOZADWDXRGNCM-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccsc1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001608220498 1097868435 /nfs/dbraw/zinc/86/84/35/1097868435.db2.gz AOSUKZGPLISVRA-UHFFFAOYSA-N -1 0 330.340 2.656 20 30 EFEDRM N#Cc1ccccc1OCc1cn([C@H]2CCC[C@H](C(=O)[O-])C2)nn1 ZINC001608219152 1097868538 /nfs/dbraw/zinc/86/85/38/1097868538.db2.gz MIYWIJPORFZSGC-WFASDCNBSA-N -1 0 326.356 2.545 20 30 EFEDRM N#Cc1ccsc1N1CC[C@H](Nc2ccccc2C(=O)[O-])C1=O ZINC001608223542 1097869195 /nfs/dbraw/zinc/86/91/95/1097869195.db2.gz YPYCQCFFLNQIDB-ZDUSSCGKSA-N -1 0 327.365 2.535 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H](CC(=O)[O-])C1CC1 ZINC001608223092 1097869305 /nfs/dbraw/zinc/86/93/05/1097869305.db2.gz RQHLYVCLIBPBHM-VIFPVBQESA-N -1 0 349.312 2.858 20 30 EFEDRM N#Cc1cnc2c(Cl)cccc2c1NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001608223213 1097869460 /nfs/dbraw/zinc/86/94/60/1097869460.db2.gz VYMITZZIQKQHMQ-MFKMUULPSA-N -1 0 345.786 2.909 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001608223467 1097869638 /nfs/dbraw/zinc/86/96/38/1097869638.db2.gz DAUJCGIVXBLRDB-MRXNPFEDSA-N -1 0 345.305 2.508 20 30 EFEDRM N#Cc1cccc2[nH]cc(C(=O)N3CCc4cc(C(=O)[O-])ccc4C3)c21 ZINC001608221411 1097869753 /nfs/dbraw/zinc/86/97/53/1097869753.db2.gz UWLSKBBFFCDMFJ-UHFFFAOYSA-N -1 0 345.358 2.936 20 30 EFEDRM N#Cc1cnc(C(=O)N2CCc3c2cccc3C(=O)[O-])c(Cl)c1 ZINC001608222360 1097869866 /nfs/dbraw/zinc/86/98/66/1097869866.db2.gz BSPZHLICDJBNAI-UHFFFAOYSA-N -1 0 327.727 2.508 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC001608224552 1097870247 /nfs/dbraw/zinc/87/02/47/1097870247.db2.gz USVBPURGUFIHLV-LBPRGKRZSA-N -1 0 342.786 2.996 20 30 EFEDRM NC(=NOCc1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC001608226969 1097870268 /nfs/dbraw/zinc/87/02/68/1097870268.db2.gz HXFIUWWAVYOZBH-UHFFFAOYSA-N -1 0 339.145 2.577 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC001608224550 1097870931 /nfs/dbraw/zinc/87/09/31/1097870931.db2.gz USVBPURGUFIHLV-GFCCVEGCSA-N -1 0 342.786 2.996 20 30 EFEDRM N#Cc1nccnc1NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001608225603 1097871082 /nfs/dbraw/zinc/87/10/82/1097871082.db2.gz UURDVPJYHODBFW-UHFFFAOYSA-N -1 0 337.364 2.782 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001608285076 1097881740 /nfs/dbraw/zinc/88/17/40/1097881740.db2.gz WNNNXWGTEXKVQK-FPYGCLRLSA-N -1 0 339.322 2.696 20 30 EFEDRM O=C([O-])c1occc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC001608288101 1097883060 /nfs/dbraw/zinc/88/30/60/1097883060.db2.gz IZTYFKZZKLSLJA-ZZXKWVIFSA-N -1 0 327.336 2.711 20 30 EFEDRM O=C([O-])[C@@H](NC(=O)CC#Cc1ccccc1)c1cc(F)ccc1F ZINC001608289297 1097884419 /nfs/dbraw/zinc/88/44/19/1097884419.db2.gz WPMKFIZKXAPBEJ-KRWDZBQOSA-N -1 0 329.302 2.649 20 30 EFEDRM O=C([O-])c1cccc(C#CCOC(=O)CSC[C@H]2CCCCO2)c1 ZINC001608355182 1097901103 /nfs/dbraw/zinc/90/11/03/1097901103.db2.gz LEKOVBOVMBNYJO-MRXNPFEDSA-N -1 0 348.420 2.582 20 30 EFEDRM O=C([O-])c1ccn(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 ZINC001608378662 1097906907 /nfs/dbraw/zinc/90/69/07/1097906907.db2.gz WIHXMZUJIWRMJK-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001608391837 1097910351 /nfs/dbraw/zinc/91/03/51/1097910351.db2.gz VRKLXYIABBBOOB-QMMMGPOBSA-N -1 0 347.186 2.980 20 30 EFEDRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001608459986 1097925902 /nfs/dbraw/zinc/92/59/02/1097925902.db2.gz HXONXJAJGGKQFG-IAGOWNOFSA-N -1 0 334.375 2.929 20 30 EFEDRM O=C([O-])Cc1ccc(NN=Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC001608780407 1098019187 /nfs/dbraw/zinc/01/91/87/1098019187.db2.gz IGZSQFVBLWXINA-UHFFFAOYSA-N -1 0 337.379 2.652 20 30 EFEDRM O=C([O-])c1cc(/C=C/C(=O)c2nc(Br)ccc2F)c[nH]1 ZINC001608841129 1098040725 /nfs/dbraw/zinc/04/07/25/1098040725.db2.gz BGQPWONKTCBTSO-HNQUOIGGSA-N -1 0 339.120 2.906 20 30 EFEDRM O=C([O-])c1ccc(CON=C[C@H]2CCCO2)c(Br)c1 ZINC001608889738 1098061015 /nfs/dbraw/zinc/06/10/15/1098061015.db2.gz RIHYXMCKJCWTOX-LLVKDONJSA-N -1 0 328.162 2.829 20 30 EFEDRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)c(F)c1 ZINC001608903725 1098066401 /nfs/dbraw/zinc/06/64/01/1098066401.db2.gz JTJVCSKHRWEBCT-UHFFFAOYSA-N -1 0 328.347 2.965 20 30 EFEDRM O=C([O-])c1ccc2c(=O)n(CC#Cc3cccc(Cl)c3)cnc2c1 ZINC001608918148 1098071200 /nfs/dbraw/zinc/07/12/00/1098071200.db2.gz AKEAIEZYYVLIAK-UHFFFAOYSA-N -1 0 338.750 2.800 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cccnn3)c2)c1 ZINC001608927846 1098077076 /nfs/dbraw/zinc/07/70/76/1098077076.db2.gz HLHCBRUJGLLDCG-UHFFFAOYSA-N -1 0 343.342 2.827 20 30 EFEDRM O=C([O-])c1csc(C(=O)/C=C/c2cnnn2Cc2ccccc2)c1 ZINC001608991035 1098102129 /nfs/dbraw/zinc/10/21/29/1098102129.db2.gz AXCOCKQKKXFDSS-VOTSOKGWSA-N -1 0 339.376 2.982 20 30 EFEDRM C#C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC001609058094 1098124358 /nfs/dbraw/zinc/12/43/58/1098124358.db2.gz PAKJHOSCSHFHSH-MJBXVCDLSA-N -1 0 328.195 2.890 20 30 EFEDRM C#C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC001609058093 1098124769 /nfs/dbraw/zinc/12/47/69/1098124769.db2.gz PAKJHOSCSHFHSH-MELADBBJSA-N -1 0 328.195 2.890 20 30 EFEDRM Cc1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cs1 ZINC001609061167 1098126535 /nfs/dbraw/zinc/12/65/35/1098126535.db2.gz JATGIDVQJNGJJB-UHFFFAOYSA-N -1 0 332.393 2.579 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)c(Cl)c2)o1 ZINC001609061530 1098127605 /nfs/dbraw/zinc/12/76/05/1098127605.db2.gz JQZNZRGIKKTLDU-UHFFFAOYSA-N -1 0 335.730 2.792 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001609076150 1098134086 /nfs/dbraw/zinc/13/40/86/1098134086.db2.gz DSIBURYANUHOOD-SJORKVTESA-N -1 0 340.423 2.517 20 30 EFEDRM C#CC[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001609079036 1098134424 /nfs/dbraw/zinc/13/44/24/1098134424.db2.gz UMZKJEWPAUKSGY-HNNXBMFYSA-N -1 0 329.327 2.611 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC=CCc2ccco2)o1 ZINC001609081317 1098135247 /nfs/dbraw/zinc/13/52/47/1098135247.db2.gz IOXHIIGVBCQAOI-JRKOTLHCSA-N -1 0 327.348 2.856 20 30 EFEDRM CC(Cc1ccccn1)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC001609115730 1098153608 /nfs/dbraw/zinc/15/36/08/1098153608.db2.gz ILYMJPASGGNZCT-UHFFFAOYSA-N -1 0 340.391 2.578 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001609152842 1098171714 /nfs/dbraw/zinc/17/17/14/1098171714.db2.gz KGRASLHZUHHPFG-UHFFFAOYSA-N -1 0 335.766 2.775 20 30 EFEDRM C#Cc1cccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001609190096 1098189576 /nfs/dbraw/zinc/18/95/76/1098189576.db2.gz XHRBMARHDQNXFI-UHFFFAOYSA-N -1 0 326.308 2.652 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001609257461 1098228489 /nfs/dbraw/zinc/22/84/89/1098228489.db2.gz FUKJHKWKBOQGLN-SFHVURJKSA-N -1 0 344.415 2.533 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001609287023 1098238548 /nfs/dbraw/zinc/23/85/48/1098238548.db2.gz AYVGBZAORDANHP-ZDUSSCGKSA-N -1 0 325.368 2.751 20 30 EFEDRM C=C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)[O-] ZINC001609287659 1098238871 /nfs/dbraw/zinc/23/88/71/1098238871.db2.gz YSKLWIJMASVXCS-LBPRGKRZSA-N -1 0 332.429 2.688 20 30 EFEDRM C=CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001609290727 1098239557 /nfs/dbraw/zinc/23/95/57/1098239557.db2.gz UYMZVHQQBOFFFE-UHFFFAOYSA-N -1 0 334.372 2.895 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001609287479 1098239812 /nfs/dbraw/zinc/23/98/12/1098239812.db2.gz RVCCMORTEGKAOM-OAHLLOKOSA-N -1 0 332.400 2.686 20 30 EFEDRM COC1(CC(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CCC1 ZINC001609312728 1098244073 /nfs/dbraw/zinc/24/40/73/1098244073.db2.gz OLQVAHYXXXLQQA-UHFFFAOYSA-N -1 0 347.423 2.800 20 30 EFEDRM C=CC[C@H]1N(S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1(C)C ZINC001609324892 1098247397 /nfs/dbraw/zinc/24/73/97/1098247397.db2.gz UVVAWTOKVVZTQB-GFCCVEGCSA-N -1 0 327.402 2.733 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001609329411 1098249784 /nfs/dbraw/zinc/24/97/84/1098249784.db2.gz YGRWLXSFISPFJH-UHFFFAOYSA-N -1 0 338.429 2.898 20 30 EFEDRM C=CCCOCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001609340893 1098255321 /nfs/dbraw/zinc/25/53/21/1098255321.db2.gz DMDAUFSNNDCTJN-UHFFFAOYSA-N -1 0 346.408 2.963 20 30 EFEDRM C=CCCCS(=O)(=O)Oc1ccn(Cc2ccccc2)c1C(=O)[O-] ZINC001609341036 1098255619 /nfs/dbraw/zinc/25/56/19/1098255619.db2.gz RPPFFWDVASEEPL-UHFFFAOYSA-N -1 0 349.408 2.909 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001609345872 1098259049 /nfs/dbraw/zinc/25/90/49/1098259049.db2.gz LBEICXJBRZWVHW-GOSISDBHSA-N -1 0 332.400 2.951 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001609356778 1098264464 /nfs/dbraw/zinc/26/44/64/1098264464.db2.gz IBHGTKQTTBCLNJ-UHFFFAOYSA-N -1 0 339.298 2.920 20 30 EFEDRM COc1cccc(C)c1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC001609360910 1098265960 /nfs/dbraw/zinc/26/59/60/1098265960.db2.gz TZEAJCYRPIKXPX-UHFFFAOYSA-N -1 0 341.375 2.741 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001609371594 1098270270 /nfs/dbraw/zinc/27/02/70/1098270270.db2.gz LYXKLXQJQXEJIT-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM CSc1ccccc1C(C)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC001609373098 1098270798 /nfs/dbraw/zinc/27/07/98/1098270798.db2.gz IXXSDZUJEATFMP-UHFFFAOYSA-N -1 0 329.389 2.721 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609432246 1098317413 /nfs/dbraw/zinc/31/74/13/1098317413.db2.gz KLHLOHJAYSWMOY-CQSZACIVSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccsc1-n1c(C)ccc1C)C(=O)[O-] ZINC001609443159 1098325539 /nfs/dbraw/zinc/32/55/39/1098325539.db2.gz SWPJGYVRPQKRPA-AWEZNQCLSA-N -1 0 348.424 2.541 20 30 EFEDRM C=CCOc1ccc(CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001609460301 1098335836 /nfs/dbraw/zinc/33/58/36/1098335836.db2.gz OSRJZJAGPFKECP-UHFFFAOYSA-N -1 0 331.412 2.897 20 30 EFEDRM C=CCSc1ccccc1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1 ZINC001609461886 1098336323 /nfs/dbraw/zinc/33/63/23/1098336323.db2.gz UFYCUFPDWCNYTJ-LLVKDONJSA-N -1 0 347.396 2.559 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(OCC)no1 ZINC001609463831 1098336522 /nfs/dbraw/zinc/33/65/22/1098336522.db2.gz AENVRKFVNMFLLT-UHFFFAOYSA-N -1 0 347.323 2.728 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1ccccc1F ZINC001609485511 1098351505 /nfs/dbraw/zinc/35/15/05/1098351505.db2.gz VNBDKIBJPCQGCL-UHFFFAOYSA-N -1 0 349.387 2.796 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1cccc(C)c1 ZINC001609485210 1098351974 /nfs/dbraw/zinc/35/19/74/1098351974.db2.gz GNPXFQBKXBTVPR-UHFFFAOYSA-N -1 0 345.424 2.966 20 30 EFEDRM C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001609485437 1098352336 /nfs/dbraw/zinc/35/23/36/1098352336.db2.gz QGFFYIHZFRFGOB-UONOGXRCSA-N -1 0 348.447 2.643 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001609487468 1098353598 /nfs/dbraw/zinc/35/35/98/1098353598.db2.gz SNIPKWSQFNYNJO-SDBXPKJASA-N -1 0 326.736 2.949 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3O)C2)C1=O ZINC001269685918 1098359697 /nfs/dbraw/zinc/35/96/97/1098359697.db2.gz GRMYMCGURGXCLG-SFHVURJKSA-N -1 0 348.830 2.686 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NOCCCC(=O)[O-] ZINC001609630982 1098410226 /nfs/dbraw/zinc/41/02/26/1098410226.db2.gz LDHXHGFGXBAZBT-NSHDSACASA-N -1 0 337.401 2.856 20 30 EFEDRM CC(C)(C)[C@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001609653717 1098417192 /nfs/dbraw/zinc/41/71/92/1098417192.db2.gz OCPIYCXAIGHBLX-SFHVURJKSA-N -1 0 327.384 2.784 20 30 EFEDRM CC(C)(CCN=Nc1nc(-c2ccccn2)nc2c1CCC2)C(=O)[O-] ZINC001609674224 1098422891 /nfs/dbraw/zinc/42/28/91/1098422891.db2.gz ZCURVXNXZYGNQT-UHFFFAOYSA-N -1 0 339.399 2.926 20 30 EFEDRM CC(C)(NC(=O)c1ccc(C#N)c(Cl)c1)c1cc(C(=O)[O-])on1 ZINC001609680024 1098425359 /nfs/dbraw/zinc/42/53/59/1098425359.db2.gz ICPDHFBXMKKRMD-UHFFFAOYSA-N -1 0 333.731 2.563 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1ccncc1 ZINC001609728007 1098439303 /nfs/dbraw/zinc/43/93/03/1098439303.db2.gz CBBFEJNCMJHULV-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC001609729454 1098440246 /nfs/dbraw/zinc/44/02/46/1098440246.db2.gz UMLOPZYFQNDNOG-INIZCTEOSA-N -1 0 332.356 2.879 20 30 EFEDRM C[C@@H](CSc1ccccc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609750543 1098446153 /nfs/dbraw/zinc/44/61/53/1098446153.db2.gz YDPMLONZXREFRE-ZDUSSCGKSA-N -1 0 332.425 2.632 20 30 EFEDRM C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609772542 1098452317 /nfs/dbraw/zinc/45/23/17/1098452317.db2.gz LJNXTBCLWUMYDB-LLVKDONJSA-N -1 0 342.326 2.652 20 30 EFEDRM C[C@H](NCc1cccc(C(=O)[O-])c1C#N)c1ccc([S@@](C)=O)cc1 ZINC001609779696 1098455277 /nfs/dbraw/zinc/45/52/77/1098455277.db2.gz CUDIVZHETBCFCO-FNODVLLQSA-N -1 0 342.420 2.845 20 30 EFEDRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)NC1(C#N)CCC1 ZINC001609806189 1098463852 /nfs/dbraw/zinc/46/38/52/1098463852.db2.gz XXXPDBQJDNVMOM-VIFPVBQESA-N -1 0 345.380 2.569 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001609811924 1098465838 /nfs/dbraw/zinc/46/58/38/1098465838.db2.gz QCPVUUWJASDFRD-QGZVFWFLSA-N -1 0 331.372 2.698 20 30 EFEDRM CC1CCC(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001609848804 1098476295 /nfs/dbraw/zinc/47/62/95/1098476295.db2.gz DPNCFOWEGUOECI-MWHAMWOXSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C(=O)[O-])C1 ZINC001609857310 1098478895 /nfs/dbraw/zinc/47/88/95/1098478895.db2.gz RSLQMEGONWIVMU-RHSMWYFYSA-N -1 0 344.411 2.819 20 30 EFEDRM CC[C@@](C)(C(=O)OC)N(Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC001609890713 1098485519 /nfs/dbraw/zinc/48/55/19/1098485519.db2.gz HAXDDXIIKQZADS-IBGZPJMESA-N -1 0 344.411 2.810 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001609912324 1098492800 /nfs/dbraw/zinc/49/28/00/1098492800.db2.gz HVGZYNQCPWNVMQ-UHFFFAOYSA-N -1 0 343.305 2.735 20 30 EFEDRM CC[C@](NC(=O)c1ccc(C#N)n1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609928704 1098497158 /nfs/dbraw/zinc/49/71/58/1098497158.db2.gz DLOAIYBHQUMPCB-QGZVFWFLSA-N -1 0 345.786 2.670 20 30 EFEDRM CCCCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC001609967180 1098509420 /nfs/dbraw/zinc/50/94/20/1098509420.db2.gz LUNRPUQVQHUTCK-GFCCVEGCSA-N -1 0 344.820 2.523 20 30 EFEDRM CCOC(=O)[C@@H](CC)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC001610012126 1098521496 /nfs/dbraw/zinc/52/14/96/1098521496.db2.gz GQMXSBSUWQRQMP-MRXNPFEDSA-N -1 0 330.384 2.563 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001610040864 1098527883 /nfs/dbraw/zinc/52/78/83/1098527883.db2.gz NZAPSUYSDGYEMM-KRWDZBQOSA-N -1 0 331.372 2.676 20 30 EFEDRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC#N)c1 ZINC001610068788 1098537154 /nfs/dbraw/zinc/53/71/54/1098537154.db2.gz ZLPIZZMSDCXBPA-UHFFFAOYSA-N -1 0 344.392 2.814 20 30 EFEDRM CCc1nc2cc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)ccc2o1 ZINC001610072687 1098539925 /nfs/dbraw/zinc/53/99/25/1098539925.db2.gz JXBAYINHYDCDIR-UHFFFAOYSA-N -1 0 342.355 2.612 20 30 EFEDRM CCc1oc(C=NNC(=S)Nc2ccccc2OC)cc1C(=O)[O-] ZINC001610079386 1098541800 /nfs/dbraw/zinc/54/18/00/1098541800.db2.gz JOXOHKGJFFZKBB-UHFFFAOYSA-N -1 0 347.396 2.869 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001610110615 1098550216 /nfs/dbraw/zinc/55/02/16/1098550216.db2.gz PFUQEBWMBCYQFI-UHFFFAOYSA-N -1 0 339.189 2.769 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc([S-])cc2)C1=O ZINC001269964173 1098550999 /nfs/dbraw/zinc/55/09/99/1098550999.db2.gz XIQYXRZVTGASEI-GOSISDBHSA-N -1 0 330.453 2.759 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3ccc([S-])cc3)CC2)C1=O ZINC001269964020 1098551197 /nfs/dbraw/zinc/55/11/97/1098551197.db2.gz QPFPAKUPXJLTDD-UHFFFAOYSA-N -1 0 330.453 2.616 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(O)cc1Cl ZINC001269982643 1098559364 /nfs/dbraw/zinc/55/93/64/1098559364.db2.gz GWYLSFQHMOBWSL-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM C=CCN1CCC2(CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)C1=O ZINC001269983806 1098563077 /nfs/dbraw/zinc/56/30/77/1098563077.db2.gz YKPHMHUTGGLOEI-UHFFFAOYSA-N -1 0 348.830 2.686 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC001269983569 1098567120 /nfs/dbraw/zinc/56/71/20/1098567120.db2.gz SOAGAFCNDOATDW-ZDUSSCGKSA-N -1 0 348.830 2.590 20 30 EFEDRM COC(=O)c1cc(CSCc2nc(C#N)cs2)cc(C(=O)[O-])c1 ZINC001610199874 1098567142 /nfs/dbraw/zinc/56/71/42/1098567142.db2.gz IYOWOSQAAQGIII-UHFFFAOYSA-N -1 0 348.405 2.933 20 30 EFEDRM COC(=O)c1cc(NN=Cc2cccn2[C@H](C)C(=O)[O-])ccc1C ZINC001610203049 1098570852 /nfs/dbraw/zinc/57/08/52/1098570852.db2.gz IXRCMRNHONLBMJ-GFCCVEGCSA-N -1 0 329.356 2.675 20 30 EFEDRM COCCCn1nccc1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001610257777 1098590567 /nfs/dbraw/zinc/59/05/67/1098590567.db2.gz DIIJQZUKNTYTLJ-UHFFFAOYSA-N -1 0 336.779 2.717 20 30 EFEDRM COc1cc(C=NOCc2oncc2C(=O)[O-])ccc1OC(F)F ZINC001610294297 1098605762 /nfs/dbraw/zinc/60/57/62/1098605762.db2.gz VENBQAJGVAKTDC-UHFFFAOYSA-N -1 0 342.254 2.534 20 30 EFEDRM COc1cc(CNCCC#N)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001610298318 1098608723 /nfs/dbraw/zinc/60/87/23/1098608723.db2.gz WKMRCZQMVZYUKB-UHFFFAOYSA-N -1 0 330.340 2.569 20 30 EFEDRM COc1cc2c(cc1F)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001610311429 1098614706 /nfs/dbraw/zinc/61/47/06/1098614706.db2.gz XGWVXWJRPAMMTM-SFHVURJKSA-N -1 0 340.354 2.890 20 30 EFEDRM COc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(OC)c1 ZINC001610317428 1098617765 /nfs/dbraw/zinc/61/77/65/1098617765.db2.gz OKELXNAKSMRICG-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(C#N)cs2)c1 ZINC001610356678 1098637298 /nfs/dbraw/zinc/63/72/98/1098637298.db2.gz MKOHMNCZSPNYLD-KRWDZBQOSA-N -1 0 344.392 2.748 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610397526 1098654373 /nfs/dbraw/zinc/65/43/73/1098654373.db2.gz OOIWPNHPOPZXOX-GFCCVEGCSA-N -1 0 344.396 2.635 20 30 EFEDRM Cc1c(-c2cc(CON=Cc3ccc(C(=O)[O-])cc3)on2)cnn1C ZINC001610405098 1098659757 /nfs/dbraw/zinc/65/97/57/1098659757.db2.gz UTVQSAORTLEKJW-UHFFFAOYSA-N -1 0 340.339 2.632 20 30 EFEDRM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610414746 1098665999 /nfs/dbraw/zinc/66/59/99/1098665999.db2.gz ACRASHWZKWVHNC-LBPRGKRZSA-N -1 0 349.818 2.666 20 30 EFEDRM Cc1c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC001610418403 1098667430 /nfs/dbraw/zinc/66/74/30/1098667430.db2.gz ISZWUUXORCPDOF-OAHLLOKOSA-N -1 0 333.347 2.886 20 30 EFEDRM Cc1cccc(S(=O)(=O)Oc2c(C)cc(C#N)cc2C)c1C(=O)[O-] ZINC001610432848 1098673447 /nfs/dbraw/zinc/67/34/47/1098673447.db2.gz NTZCFUFHSYXKQQ-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001610454916 1098686733 /nfs/dbraw/zinc/68/67/33/1098686733.db2.gz AVSLJXRQOKADEY-HNNXBMFYSA-N -1 0 343.427 2.629 20 30 EFEDRM Cc1cc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)ccc1Br ZINC001610463528 1098692526 /nfs/dbraw/zinc/69/25/26/1098692526.db2.gz HRVBWZAXTARAAF-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)C(C)(C)C(=O)[O-] ZINC001610462766 1098693313 /nfs/dbraw/zinc/69/33/13/1098693313.db2.gz UWSZVHSORQDLOC-UHFFFAOYSA-N -1 0 346.770 2.515 20 30 EFEDRM Cc1cc(=O)[nH]c(NN=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC001610475579 1098698999 /nfs/dbraw/zinc/69/89/99/1098698999.db2.gz CMQCFAHSJZVBJR-UHFFFAOYSA-N -1 0 338.323 2.895 20 30 EFEDRM Cc1cc2nnc(SCc3cccc(C(=O)[O-])c3C#N)n2c(C)n1 ZINC001610479852 1098701779 /nfs/dbraw/zinc/70/17/79/1098701779.db2.gz HQGINTFBDHKQBZ-UHFFFAOYSA-N -1 0 339.380 2.603 20 30 EFEDRM Cc1ccc([C@H](NC(=O)Cc2ccccc2CC#N)C(=O)[O-])cc1C ZINC001610494569 1098713074 /nfs/dbraw/zinc/71/30/74/1098713074.db2.gz QPKFDHMQALRDBJ-IBGZPJMESA-N -1 0 336.391 2.854 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001610515139 1098724548 /nfs/dbraw/zinc/72/45/48/1098724548.db2.gz RKJSWFDYBFDWLS-UHFFFAOYSA-N -1 0 340.291 2.830 20 30 EFEDRM Cc1cnn(C)c1C=NNc1cc(C(=O)[O-])ccc1Br ZINC001610541888 1098741494 /nfs/dbraw/zinc/74/14/94/1098741494.db2.gz QJFKHAJDOXVLGT-UHFFFAOYSA-N -1 0 337.177 2.635 20 30 EFEDRM Cc1nc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)sc1C(=O)[O-] ZINC001610557513 1098753452 /nfs/dbraw/zinc/75/34/52/1098753452.db2.gz CGGODMNXVQGENS-UHFFFAOYSA-N -1 0 345.355 2.831 20 30 EFEDRM Cc1sc([C@@H]2CCCN2C(=O)NCC(C)(C)C#N)nc1C(=O)[O-] ZINC001610592141 1098773619 /nfs/dbraw/zinc/77/36/19/1098773619.db2.gz PJHZYCIYSLFUHQ-JTQLQIEISA-N -1 0 336.417 2.546 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)O[C@H](CCCc1ccccc1)C(=O)[O-] ZINC001610599795 1098777972 /nfs/dbraw/zinc/77/79/72/1098777972.db2.gz SPSGIORMCBIDIF-MRXNPFEDSA-N -1 0 326.352 2.530 20 30 EFEDRM Cn1nc(Br)cc1/C=C\C(=O)c1cc(C(=O)[O-])cs1 ZINC001610612746 1098783467 /nfs/dbraw/zinc/78/34/67/1098783467.db2.gz MBFABLPAFHWCEY-IHWYPQMZSA-N -1 0 341.186 2.838 20 30 EFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001610619282 1098785691 /nfs/dbraw/zinc/78/56/91/1098785691.db2.gz RKYKKIQNRRGFJM-JTQLQIEISA-N -1 0 349.140 2.735 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3c2cccc3Cl)CC1 ZINC001610618393 1098785960 /nfs/dbraw/zinc/78/59/60/1098785960.db2.gz FVHJPOYNVNUIFS-ZDUSSCGKSA-N -1 0 332.787 2.587 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC001610617738 1098786031 /nfs/dbraw/zinc/78/60/31/1098786031.db2.gz LXTIMETVMLBKJK-UHFFFAOYSA-N -1 0 329.331 2.671 20 30 EFEDRM N#C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001610619477 1098786711 /nfs/dbraw/zinc/78/67/11/1098786711.db2.gz VWOVNLCVNRYDJP-OAHLLOKOSA-N -1 0 328.755 2.962 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC001610622504 1098787127 /nfs/dbraw/zinc/78/71/27/1098787127.db2.gz TUPTYZOYDAEYSB-UHFFFAOYSA-N -1 0 340.351 2.517 20 30 EFEDRM N#CCCCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001610621987 1098787274 /nfs/dbraw/zinc/78/72/74/1098787274.db2.gz YEDRCPMVKRJDRE-UHFFFAOYSA-N -1 0 329.381 2.818 20 30 EFEDRM N#CCCN(Cc1ccccn1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610621582 1098787864 /nfs/dbraw/zinc/78/78/64/1098787864.db2.gz MODYAKZKWBWDIZ-UHFFFAOYSA-N -1 0 340.339 2.604 20 30 EFEDRM N#Cc1c(Br)cccc1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610623014 1098787933 /nfs/dbraw/zinc/78/79/33/1098787933.db2.gz HYXUGAVJORCFGY-UHFFFAOYSA-N -1 0 334.173 2.516 20 30 EFEDRM N#CCCCn1cc(C(=O)NCCCCC(=O)[O-])c2ccccc21 ZINC001610621679 1098788099 /nfs/dbraw/zinc/78/80/99/1098788099.db2.gz PLRKJEHSMWHVGR-UHFFFAOYSA-N -1 0 327.384 2.930 20 30 EFEDRM N#Cc1c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1C(=O)[O-] ZINC001610623882 1098788949 /nfs/dbraw/zinc/78/89/49/1098788949.db2.gz XVMQIXWPSMKRJM-IRXDYDNUSA-N -1 0 326.396 2.790 20 30 EFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001610624046 1098789302 /nfs/dbraw/zinc/78/93/02/1098789302.db2.gz IJAXSRDANSYKRC-UHFFFAOYSA-N -1 0 340.310 2.837 20 30 EFEDRM N#CCn1c(C(=O)NCC2(C(=O)[O-])CCCCC2)cc2ccccc21 ZINC001610623773 1098789383 /nfs/dbraw/zinc/78/93/83/1098789383.db2.gz VDHPNAVXQCSTED-UHFFFAOYSA-N -1 0 339.395 2.930 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001610624310 1098789699 /nfs/dbraw/zinc/78/96/99/1098789699.db2.gz OQXQVLZSHWBNTQ-UHFFFAOYSA-N -1 0 328.299 2.803 20 30 EFEDRM N#CCOc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001610623427 1098789707 /nfs/dbraw/zinc/78/97/07/1098789707.db2.gz ZVXUEVNWMQMVJS-UHFFFAOYSA-N -1 0 342.395 2.630 20 30 EFEDRM N#Cc1cc(C#N)c(SCc2ccc(C(=O)[O-])cc2F)nc1N ZINC001610624989 1098790527 /nfs/dbraw/zinc/79/05/27/1098790527.db2.gz GGDVXUMHBATDFP-UHFFFAOYSA-N -1 0 328.328 2.537 20 30 EFEDRM N#Cc1cc(C#N)c(S[C@@H](C(=O)[O-])c2ccccc2Cl)nc1N ZINC001610625091 1098790630 /nfs/dbraw/zinc/79/06/30/1098790630.db2.gz IDUAEIZXSSFLLH-GFCCVEGCSA-N -1 0 344.783 2.979 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc(N3CC=CC3)c2)cccc1C(=O)[O-] ZINC001610624941 1098790966 /nfs/dbraw/zinc/79/09/66/1098790966.db2.gz IRRGMARCZAKPQJ-UHFFFAOYSA-N -1 0 348.358 2.990 20 30 EFEDRM N#Cc1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)ccc1Cl ZINC001610625482 1098791114 /nfs/dbraw/zinc/79/11/14/1098791114.db2.gz QPADYGLMMITRPK-UHFFFAOYSA-N -1 0 344.754 2.605 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2cc(Cl)nc3ccccc23)c1=O ZINC001610625222 1098791360 /nfs/dbraw/zinc/79/13/60/1098791360.db2.gz LEZKVNJRRJRZGD-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1c(COc2ccc([N+](=O)[O-])cc2C=O)cccc1C(=O)[O-] ZINC001610625428 1098791406 /nfs/dbraw/zinc/79/14/06/1098791406.db2.gz UVJNGHZBGDWTME-UHFFFAOYSA-N -1 0 326.264 2.556 20 30 EFEDRM N#Cc1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC001610627567 1098791902 /nfs/dbraw/zinc/79/19/02/1098791902.db2.gz BOAPEDULYGVKPL-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)o1 ZINC001610626857 1098792328 /nfs/dbraw/zinc/79/23/28/1098792328.db2.gz YSFKUDCQIXXMDP-UHFFFAOYSA-N -1 0 335.113 2.864 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2Br)o1 ZINC001610626755 1098792490 /nfs/dbraw/zinc/79/24/90/1098792490.db2.gz RZYXUZCGUQQPJV-UHFFFAOYSA-N -1 0 349.140 2.542 20 30 EFEDRM N#Cc1ccc(C2(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC001610627151 1098792874 /nfs/dbraw/zinc/79/28/74/1098792874.db2.gz AGZSGIZCHWNZON-KRWDZBQOSA-N -1 0 334.375 2.574 20 30 EFEDRM N#Cc1ccc(COC(=O)CCc2ocnc2C(=O)[O-])c(Cl)c1 ZINC001610627403 1098792884 /nfs/dbraw/zinc/79/28/84/1098792884.db2.gz YPTZEXSKBJKDKY-UHFFFAOYSA-N -1 0 334.715 2.574 20 30 EFEDRM N#Cc1ccc(NCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC001610629169 1098793504 /nfs/dbraw/zinc/79/35/04/1098793504.db2.gz OTHUDXRBNKUVAV-UHFFFAOYSA-N -1 0 329.400 2.512 20 30 EFEDRM N#Cc1cccc(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC001610631304 1098793649 /nfs/dbraw/zinc/79/36/49/1098793649.db2.gz WNEFCXQVHDKCQU-UHFFFAOYSA-N -1 0 341.392 2.857 20 30 EFEDRM N#Cc1ccc(OCc2ccc(C(=O)OCC3(C(=O)[O-])CC3)o2)cc1 ZINC001610628870 1098793864 /nfs/dbraw/zinc/79/38/64/1098793864.db2.gz BAHMWNZYLSRDQI-UHFFFAOYSA-N -1 0 341.319 2.752 20 30 EFEDRM N#Cc1cccc(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001610631158 1098794195 /nfs/dbraw/zinc/79/41/95/1098794195.db2.gz PVFLSYLBEQRJRM-UHFFFAOYSA-N -1 0 339.351 2.733 20 30 EFEDRM N#Cc1ccc(NC(=O)CSCc2cccc(C(=O)[O-])n2)cc1 ZINC001610629087 1098794343 /nfs/dbraw/zinc/79/43/43/1098794343.db2.gz MJCUDFPPZDOUJJ-UHFFFAOYSA-N -1 0 327.365 2.523 20 30 EFEDRM N#Cc1ccc(NC[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001610629119 1098794434 /nfs/dbraw/zinc/79/44/34/1098794434.db2.gz MZVWXSQDSYROIW-ZDUSSCGKSA-N -1 0 329.287 2.886 20 30 EFEDRM N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001610629441 1098794540 /nfs/dbraw/zinc/79/45/40/1098794540.db2.gz VIRXGCIDFHUUDG-STQMWFEESA-N -1 0 327.384 2.962 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001610632485 1098795089 /nfs/dbraw/zinc/79/50/89/1098795089.db2.gz XINLAVZJKNBNAR-MOPGFXCFSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3nsnc3c2)C(=O)[O-])c1 ZINC001610631880 1098795294 /nfs/dbraw/zinc/79/52/94/1098795294.db2.gz LBXNJZTXQCROHJ-CQSZACIVSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1ccccc1COC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001610633055 1098795403 /nfs/dbraw/zinc/79/54/03/1098795403.db2.gz UVTIFPYXRJDYTO-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cnn(-c3ccccc3)c2)C(=O)[O-])c1 ZINC001610631471 1098795564 /nfs/dbraw/zinc/79/55/64/1098795564.db2.gz CCJZTPSGSFDKNR-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc(C2(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001610631590 1098795605 /nfs/dbraw/zinc/79/56/05/1098795605.db2.gz FRHQYZOFJGLFAF-MRXNPFEDSA-N -1 0 332.359 2.805 20 30 EFEDRM N#Cc1cccc([C@@H]2CN(Cc3cc(C(=O)[O-])ccc3F)CCO2)c1 ZINC001610632376 1098795738 /nfs/dbraw/zinc/79/57/38/1098795738.db2.gz WANAFBKXMYMOQN-SFHVURJKSA-N -1 0 340.354 2.969 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1 ZINC001610632353 1098796250 /nfs/dbraw/zinc/79/62/50/1098796250.db2.gz KYSBDMUJMFVBGO-DLBZAZTESA-N -1 0 338.338 2.919 20 30 EFEDRM N#Cc1cnc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)nc1 ZINC001610633213 1098797560 /nfs/dbraw/zinc/79/75/60/1098797560.db2.gz CYUQXAFMOLAXBY-UHFFFAOYSA-N -1 0 337.383 2.649 20 30 EFEDRM N#Cc1cnc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(Cl)c1 ZINC001610633427 1098797775 /nfs/dbraw/zinc/79/77/75/1098797775.db2.gz IWWIUTYTBZQCLQ-UHFFFAOYSA-N -1 0 341.754 2.503 20 30 EFEDRM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001610652587 1098803888 /nfs/dbraw/zinc/80/38/88/1098803888.db2.gz LXFAQILKFDTCGN-UHFFFAOYSA-N -1 0 348.314 2.585 20 30 EFEDRM O=C(C#CC1CC1)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001610651570 1098804565 /nfs/dbraw/zinc/80/45/65/1098804565.db2.gz DLCKIMQHEZBANN-UHFFFAOYSA-N -1 0 327.361 2.965 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)COC(F)F)c2)c1 ZINC001610669760 1098816336 /nfs/dbraw/zinc/81/63/36/1098816336.db2.gz QZDOJNIMJJRSPL-UHFFFAOYSA-N -1 0 345.301 2.962 20 30 EFEDRM O=C([O-])COc1ccc(C=NN[C@H]2CCc3c2cccc3F)cc1 ZINC001610786286 1098884351 /nfs/dbraw/zinc/88/43/51/1098884351.db2.gz CCIHIMFEMNADJQ-KRWDZBQOSA-N -1 0 328.343 2.900 20 30 EFEDRM O=C([O-])c1cncc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC001610861865 1098942665 /nfs/dbraw/zinc/94/26/65/1098942665.db2.gz ICJLJVNFUBITDW-UHFFFAOYSA-N -1 0 348.280 2.580 20 30 EFEDRM O=C([O-])c1coc(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC001610866187 1098945089 /nfs/dbraw/zinc/94/50/89/1098945089.db2.gz LXTFEGXIIRAYLT-OWOJBTEDSA-N -1 0 345.263 2.553 20 30 EFEDRM O=C([O-])c1ccc(NN=C2C(=O)Nc3cc(O)ccc32)cc1Cl ZINC001610885096 1098959892 /nfs/dbraw/zinc/95/98/92/1098959892.db2.gz IRNRKPXZPKTYEM-UHFFFAOYSA-N -1 0 331.715 2.512 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000781959087 1099164431 /nfs/dbraw/zinc/16/44/31/1099164431.db2.gz UJEFEXPJAZBJQI-SECBINFHSA-N -1 0 347.795 2.907 20 30 EFEDRM CC(C)(C)[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1nc(=O)o[n-]1 ZINC001627299410 1099979502 /nfs/dbraw/zinc/97/95/02/1099979502.db2.gz OPSPTDRWBIGYRM-CYBMUJFWSA-N -1 0 342.399 2.681 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001627863523 1100038269 /nfs/dbraw/zinc/03/82/69/1100038269.db2.gz LMJXQPBPURMCBB-UHFFFAOYSA-N -1 0 332.348 2.800 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C2CC2)cc1 ZINC001637181021 1100763461 /nfs/dbraw/zinc/76/34/61/1100763461.db2.gz ZSZDSNKJSFXQNL-UHFFFAOYSA-N -1 0 334.335 2.605 20 30 EFEDRM Cn1c(=O)[n-]c(SC(c2ccccc2)c2ccccc2)c(C#N)c1=O ZINC001641946102 1101178688 /nfs/dbraw/zinc/17/86/88/1101178688.db2.gz MCXQSOWFMHNFFX-UHFFFAOYSA-N -1 0 349.415 2.827 20 30 EFEDRM COC(=O)C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000785410142 1101526939 /nfs/dbraw/zinc/52/69/39/1101526939.db2.gz XBSQYKBBWLCJSF-CQSZACIVSA-N -1 0 336.347 2.571 20 30 EFEDRM CC#CC[C@H](CC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227621495 1101759062 /nfs/dbraw/zinc/75/90/62/1101759062.db2.gz FJWVLWNHBBTRMB-VIFPVBQESA-N -1 0 326.370 2.598 20 30 EFEDRM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c(C)cccc1O ZINC001271661722 1102226252 /nfs/dbraw/zinc/22/62/52/1102226252.db2.gz YCNVHZRRCGXLRF-FQEVSTJZSA-N -1 0 342.439 2.874 20 30 EFEDRM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1c(C)cccc1O)CC2 ZINC001271661458 1102226398 /nfs/dbraw/zinc/22/63/98/1102226398.db2.gz XDGGURNXBHRRAO-OAHLLOKOSA-N -1 0 342.439 2.635 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNC(=S)Nc2ccccc2F)cc1[O-] ZINC000748131813 1102658897 /nfs/dbraw/zinc/65/88/97/1102658897.db2.gz OLYIUQXWWJRBBI-UHFFFAOYSA-N -1 0 334.332 2.760 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)COC3)sc2c1CCC2 ZINC000906071461 1103883091 /nfs/dbraw/zinc/88/30/91/1103883091.db2.gz BRJFLVSJOGFNNU-UHFFFAOYSA-N -1 0 346.433 2.939 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cncc(OC)c2)c1C#N ZINC000906071560 1103883275 /nfs/dbraw/zinc/88/32/75/1103883275.db2.gz CFZDLTZICOWFFM-UHFFFAOYSA-N -1 0 337.426 2.695 20 30 EFEDRM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(F)cc1[O-] ZINC001272268507 1103981930 /nfs/dbraw/zinc/98/19/30/1103981930.db2.gz JQSQFEFXTPFIQZ-LJQANCHMSA-N -1 0 346.402 2.705 20 30 EFEDRM N#C[C@@H]1COCCN1Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231746933 1104404699 /nfs/dbraw/zinc/40/46/99/1104404699.db2.gz FZCUVYRAGRKVSG-SECBINFHSA-N -1 0 331.597 2.532 20 30 EFEDRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3cccc(C#N)c3)no2)cc1 ZINC001211942332 1104653737 /nfs/dbraw/zinc/65/37/37/1104653737.db2.gz KDJNBYUSCXKWAX-UHFFFAOYSA-N -1 0 334.335 2.796 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnc3ccccc3n2)cc1C#N ZINC001126737588 1104721029 /nfs/dbraw/zinc/72/10/29/1104721029.db2.gz TVHFFUKPNDUMCG-UHFFFAOYSA-N -1 0 337.364 2.576 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000729666693 1104746384 /nfs/dbraw/zinc/74/63/84/1104746384.db2.gz ZFMJFUGWEJGIFC-UHFFFAOYSA-N -1 0 349.433 2.951 20 30 EFEDRM N#CCc1cccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)c1 ZINC001671463309 1105640191 /nfs/dbraw/zinc/64/01/91/1105640191.db2.gz JRLWVNBDMGLKKJ-UHFFFAOYSA-N -1 0 333.355 2.501 20 30 EFEDRM N#CCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000729836548 1106043382 /nfs/dbraw/zinc/04/33/82/1106043382.db2.gz PIDKVDCVGHWQEP-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128828993 1106928639 /nfs/dbraw/zinc/92/86/39/1106928639.db2.gz IKKWNBRGHBMLIV-MRXNPFEDSA-N -1 0 340.379 2.586 20 30 EFEDRM CC(C)(C)OC(=O)NCC1(C(=O)N(O)Cc2ccc(F)cc2)CC1 ZINC000904173105 1107689464 /nfs/dbraw/zinc/68/94/64/1107689464.db2.gz GOWAFKPOBYMAOG-UHFFFAOYSA-N -1 0 338.379 2.848 20 30 EFEDRM CCOC(=O)C[C@@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000089574594 1107980287 /nfs/dbraw/zinc/98/02/87/1107980287.db2.gz JOIOCYUDWDNCRK-PTPOTIKZSA-N -1 0 328.752 2.962 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cccc([S-])c2)C1=O ZINC001272379643 1108131801 /nfs/dbraw/zinc/13/18/01/1108131801.db2.gz OTWBNQFJLRHLJI-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3c([O-])cccc3F)CC2)C1=O ZINC001272388531 1108158889 /nfs/dbraw/zinc/15/88/89/1108158889.db2.gz MFAWMTYIDDPDTC-LJQANCHMSA-N -1 0 346.402 2.562 20 30 EFEDRM Cc1cc(C(F)(F)F)nn1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000905001177 1108317498 /nfs/dbraw/zinc/31/74/98/1108317498.db2.gz FPORZIPYXZTUMJ-QGMBQPNBSA-N -1 0 342.277 2.943 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000899226605 1109252038 /nfs/dbraw/zinc/25/20/38/1109252038.db2.gz VKUVMFKMQSFEBD-CIPPFVMLSA-N -1 0 331.294 2.746 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1 ZINC000899340408 1109293337 /nfs/dbraw/zinc/29/33/37/1109293337.db2.gz CLODCOUCQZYWLS-BQYQJAHWSA-N -1 0 326.352 2.968 20 30 EFEDRM Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000042235319 1109358958 /nfs/dbraw/zinc/35/89/58/1109358958.db2.gz KWJMWUMIUWUDGN-UHFFFAOYSA-N -1 0 335.429 2.623 20 30 EFEDRM C#CCOc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])c1 ZINC000899769715 1109467034 /nfs/dbraw/zinc/46/70/34/1109467034.db2.gz GVBKHSJUAGYDAL-HAELCTKSSA-N -1 0 325.364 2.550 20 30 EFEDRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000899761831 1109468227 /nfs/dbraw/zinc/46/82/27/1109468227.db2.gz KWWWHYKBSMGKAC-UAYOQBCBSA-N -1 0 342.420 2.960 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899783032 1109476929 /nfs/dbraw/zinc/47/69/29/1109476929.db2.gz SPNHTCVTEYELGK-NUJGCVRESA-N -1 0 331.412 2.651 20 30 EFEDRM Cc1ccc([C@@H](CC(=O)NCCc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC000899793460 1109492481 /nfs/dbraw/zinc/49/24/81/1109492481.db2.gz ZPERTDSOYLQQIB-GOSISDBHSA-N -1 0 336.391 2.784 20 30 EFEDRM CCCCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000842331433 1109504122 /nfs/dbraw/zinc/50/41/22/1109504122.db2.gz UODMJQZCLQYAFV-AWEZNQCLSA-N -1 0 344.477 2.502 20 30 EFEDRM C[S@@](=O)c1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000042319305 1109626504 /nfs/dbraw/zinc/62/65/04/1109626504.db2.gz GKPAHZKVTNJIKX-LEQVUBRHSA-N -1 0 349.433 2.729 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c(C)c1 ZINC000176513264 1111089309 /nfs/dbraw/zinc/08/93/09/1111089309.db2.gz QIUJDDSNFGSRBV-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM Cc1cc(COc2ccc(C=NN(C)[C@@H](C)CO)cc2)oc1C(=O)[O-] ZINC000842540752 1111090057 /nfs/dbraw/zinc/09/00/57/1111090057.db2.gz MNPUBBIVECBFGC-ZDUSSCGKSA-N -1 0 346.383 2.512 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2cncc(Cl)n2)c1[O-] ZINC000914560352 1111258463 /nfs/dbraw/zinc/25/84/63/1111258463.db2.gz ZMEZJLFDVCINFD-UHFFFAOYSA-N -1 0 328.115 2.843 20 30 EFEDRM CC(C)CCN=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914699210 1111331338 /nfs/dbraw/zinc/33/13/38/1111331338.db2.gz IZMSAHROUYRENY-UHFFFAOYSA-N -1 0 333.417 2.721 20 30 EFEDRM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000914858669 1111438354 /nfs/dbraw/zinc/43/83/54/1111438354.db2.gz ZPFCKGQRLQMZNU-UHFFFAOYSA-N -1 0 336.286 2.508 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000916763448 1111980975 /nfs/dbraw/zinc/98/09/75/1111980975.db2.gz MFOONVNPJDTBDB-UHFFFAOYSA-N -1 0 345.420 2.987 20 30 EFEDRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000916774213 1111984035 /nfs/dbraw/zinc/98/40/35/1111984035.db2.gz GOBMGEVSNQVCQI-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000916844438 1111991839 /nfs/dbraw/zinc/99/18/39/1111991839.db2.gz JFYIRMLTIWJJMA-LBPRGKRZSA-N -1 0 335.367 2.574 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916844857 1111991943 /nfs/dbraw/zinc/99/19/43/1111991943.db2.gz GYMHWPBNYYBONW-CQSZACIVSA-N -1 0 345.362 2.901 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2o1 ZINC000916872427 1111993364 /nfs/dbraw/zinc/99/33/64/1111993364.db2.gz JLDVTZWZOLUHRP-CQSZACIVSA-N -1 0 328.368 2.687 20 30 EFEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916871416 1111993383 /nfs/dbraw/zinc/99/33/83/1111993383.db2.gz NKMJPWXTOCLTQQ-LLVKDONJSA-N -1 0 329.381 2.656 20 30 EFEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000916871417 1111993512 /nfs/dbraw/zinc/99/35/12/1111993512.db2.gz NKMJPWXTOCLTQQ-NSHDSACASA-N -1 0 329.381 2.656 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000916877889 1111994444 /nfs/dbraw/zinc/99/44/44/1111994444.db2.gz MPMUTDMUFJVGFV-OAHLLOKOSA-N -1 0 341.411 2.590 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccc(C)n2)cc1 ZINC000916878406 1111994468 /nfs/dbraw/zinc/99/44/68/1111994468.db2.gz UPVVWKYFCMZDLE-KRWDZBQOSA-N -1 0 338.411 2.810 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1OC ZINC000916893195 1111995224 /nfs/dbraw/zinc/99/52/24/1111995224.db2.gz VGYDNVZJTAURDW-OAHLLOKOSA-N -1 0 344.411 2.865 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnn(-c2ccccc2)c1 ZINC000916893893 1111995854 /nfs/dbraw/zinc/99/58/54/1111995854.db2.gz JVBRSEUKWQAIDH-QGZVFWFLSA-N -1 0 336.395 2.644 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000916919930 1111997389 /nfs/dbraw/zinc/99/73/89/1111997389.db2.gz DDKNSVYXORLVJP-GOSISDBHSA-N -1 0 334.375 2.890 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000916919961 1111997664 /nfs/dbraw/zinc/99/76/64/1111997664.db2.gz DYFVRSOJDCLBDX-NSHDSACASA-N -1 0 347.168 2.820 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000916921596 1111998051 /nfs/dbraw/zinc/99/80/51/1111998051.db2.gz VVRHOCOGLCSZEG-MLGOLLRUSA-N -1 0 335.407 2.917 20 30 EFEDRM COc1ccc(-c2cc(C(=O)[N-]S(C)(=O)=O)sc2C)cc1 ZINC000069539077 1117796712 /nfs/dbraw/zinc/79/67/12/1117796712.db2.gz SYWBGUMYQGJJBZ-UHFFFAOYSA-N -1 0 325.411 2.996 20 30 EFEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622489 1117956199 /nfs/dbraw/zinc/95/61/99/1117956199.db2.gz VTAIFZZXGIWEFD-WDEREUQCSA-N -1 0 337.319 2.776 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000131048883 1118828102 /nfs/dbraw/zinc/82/81/02/1118828102.db2.gz QUIQOWIQUAOUHZ-CQSZACIVSA-N -1 0 341.436 2.889 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)oc2C)cc1 ZINC000072595061 1119786698 /nfs/dbraw/zinc/78/66/98/1119786698.db2.gz YNXRMTZZGDIZAX-UHFFFAOYSA-N -1 0 336.369 2.548 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC(F)(F)F)c2)C(=O)O1 ZINC000038477042 1120275459 /nfs/dbraw/zinc/27/54/59/1120275459.db2.gz DTZXDBBHUPCCEM-VBROQKIQSA-N -1 0 340.253 2.813 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)cc1 ZINC000073086997 1120534932 /nfs/dbraw/zinc/53/49/32/1120534932.db2.gz LCKFYSSZWQMTTG-UHFFFAOYSA-N -1 0 326.333 2.998 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2nccc3ccccc32)c1 ZINC000073087434 1120535418 /nfs/dbraw/zinc/53/54/18/1120535418.db2.gz NRMCDXOOZJSMFF-UHFFFAOYSA-N -1 0 337.360 2.800 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)[N-]S(=O)(=O)c2cccnc2)s1 ZINC000063234801 214751024 /nfs/dbraw/zinc/75/10/24/214751024.db2.gz GVJDLRPNYJALAS-UHFFFAOYSA-N -1 0 325.415 2.529 20 30 EFEDRM Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1-n1cncn1 ZINC000098056077 219075424 /nfs/dbraw/zinc/07/54/24/219075424.db2.gz OTYNJQGYHPRFGD-DJWKRKHSSA-N -1 0 331.335 2.711 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc3c2O[C@H](C)C(=O)N3)n1 ZINC000103795958 219325057 /nfs/dbraw/zinc/32/50/57/219325057.db2.gz LJNMTRYXFPTKIS-KOLCDFICSA-N -1 0 327.365 2.661 20 30 EFEDRM CC(F)(F)CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000297055471 535205446 /nfs/dbraw/zinc/20/54/46/535205446.db2.gz MERRTIVWOJEPPX-UHFFFAOYSA-N -1 0 339.232 2.706 20 30 EFEDRM C[C@@H](CN(C)c1c(C#N)cnc2ccc(OC(F)F)cc21)C(=O)[O-] ZINC000263550350 295888715 /nfs/dbraw/zinc/88/87/15/295888715.db2.gz KHOLAOPTJPKQQJ-VIFPVBQESA-N -1 0 335.310 2.865 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OCC)cn1 ZINC000351341005 535400494 /nfs/dbraw/zinc/40/04/94/535400494.db2.gz PXALGGVTTJFKPJ-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1[O-] ZINC000035609991 213041778 /nfs/dbraw/zinc/04/17/78/213041778.db2.gz OFACBEYZGXBWKW-DUXPYHPUSA-N -1 0 343.291 2.934 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000262520172 240358907 /nfs/dbraw/zinc/35/89/07/240358907.db2.gz DVGICFFADHAOFT-OLZOCXBDSA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc(OC)c1OC ZINC000262666746 240365200 /nfs/dbraw/zinc/36/52/00/240365200.db2.gz VZDHZONTWZWXLJ-LLVKDONJSA-N -1 0 333.384 2.510 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000262780187 240367315 /nfs/dbraw/zinc/36/73/15/240367315.db2.gz AZBWCOPCUFWQKJ-LLVKDONJSA-N -1 0 336.438 2.950 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc(Cl)c1OCC)C(=O)[O-] ZINC000262781640 240367596 /nfs/dbraw/zinc/36/75/96/240367596.db2.gz BBURQCGMJWJAKG-CYBMUJFWSA-N -1 0 325.792 2.817 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)cc1 ZINC000262772388 240367716 /nfs/dbraw/zinc/36/77/16/240367716.db2.gz HNFGZALXJMXYAY-KXBFYZLASA-N -1 0 347.411 2.640 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc2[n-]c1=S ZINC000130672110 223168474 /nfs/dbraw/zinc/16/84/74/223168474.db2.gz HFOALGRFGWGGMZ-SNVBAGLBSA-N -1 0 345.424 2.800 20 30 EFEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000172021987 239160924 /nfs/dbraw/zinc/16/09/24/239160924.db2.gz SQJBERCNPHWAPF-JTQLQIEISA-N -1 0 329.310 2.963 20 30 EFEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000174218255 239221426 /nfs/dbraw/zinc/22/14/26/239221426.db2.gz INCRXSWNFBESCK-WDEREUQCSA-N -1 0 340.832 2.843 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000175870338 239292516 /nfs/dbraw/zinc/29/25/16/239292516.db2.gz BGHCDWWGJNHOIR-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)nc1 ZINC000194570965 240162823 /nfs/dbraw/zinc/16/28/23/240162823.db2.gz AIVCKKZKZDNOJM-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c1 ZINC000194785164 240176719 /nfs/dbraw/zinc/17/67/19/240176719.db2.gz LLHPHVQENVNNJK-UHFFFAOYSA-N -1 0 332.385 2.790 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194758688 240177113 /nfs/dbraw/zinc/17/71/13/240177113.db2.gz UIAAAXZRBLYZCM-UHFFFAOYSA-N -1 0 342.783 2.509 20 30 EFEDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000195002480 240195744 /nfs/dbraw/zinc/19/57/44/240195744.db2.gz DYSPLWBBLURZIH-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM C=CCNC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000238145119 240250489 /nfs/dbraw/zinc/25/04/89/240250489.db2.gz GBCICOMJYCXQQU-UHFFFAOYSA-N -1 0 339.273 2.505 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CC)C(=O)[O-] ZINC000236957943 240235554 /nfs/dbraw/zinc/23/55/54/240235554.db2.gz DZLOIBQCOZKRMI-LLVKDONJSA-N -1 0 331.290 2.863 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000238145854 240250689 /nfs/dbraw/zinc/25/06/89/240250689.db2.gz LFCXDKJUYKJEAJ-UHFFFAOYSA-N -1 0 337.422 2.823 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262178518 240344703 /nfs/dbraw/zinc/34/47/03/240344703.db2.gz OOEPHUBGMBYFPY-FZMZJTMJSA-N -1 0 325.792 2.953 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC000262846589 240371795 /nfs/dbraw/zinc/37/17/95/240371795.db2.gz HLRBLMSMMADUDW-INIZCTEOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC000262884654 240372078 /nfs/dbraw/zinc/37/20/78/240372078.db2.gz KYDMURSWBCTNAL-NSHDSACASA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC000262884653 240372223 /nfs/dbraw/zinc/37/22/23/240372223.db2.gz KYDMURSWBCTNAL-LLVKDONJSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262820654 240372559 /nfs/dbraw/zinc/37/25/59/240372559.db2.gz VZHPNBAOJJSPOK-ZDUSSCGKSA-N -1 0 335.400 2.737 20 30 EFEDRM N#CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000262828105 240372656 /nfs/dbraw/zinc/37/26/56/240372656.db2.gz FQMQKVQQZRPEQH-QZTJIDSGSA-N -1 0 334.375 2.693 20 30 EFEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c(OC)c1 ZINC000263000187 240374294 /nfs/dbraw/zinc/37/42/94/240374294.db2.gz MEPRMJJYUWCHSD-ZFWWWQNUSA-N -1 0 347.411 2.514 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000262997829 240374564 /nfs/dbraw/zinc/37/45/64/240374564.db2.gz WBCPCIMWWRJZOL-CYBMUJFWSA-N -1 0 340.217 2.917 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000262913937 240374749 /nfs/dbraw/zinc/37/47/49/240374749.db2.gz FNWKVSRKPYMOCZ-CYBMUJFWSA-N -1 0 345.317 2.567 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(-c2nccs2)c1C)C(=O)[O-] ZINC000262982422 240375074 /nfs/dbraw/zinc/37/50/74/240375074.db2.gz ULDIQRJTUUQKJF-CYBMUJFWSA-N -1 0 333.413 2.700 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000262923326 240375100 /nfs/dbraw/zinc/37/51/00/240375100.db2.gz OEWUQNPFRXKPDH-CQSZACIVSA-N -1 0 331.372 2.540 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000262919129 240375212 /nfs/dbraw/zinc/37/52/12/240375212.db2.gz NUOJPPURROQXJD-LBPRGKRZSA-N -1 0 342.189 2.607 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(Cl)ccc1OCCOC)C(=O)[O-] ZINC000262974931 240375400 /nfs/dbraw/zinc/37/54/00/240375400.db2.gz TTYKFPAKPMLZNX-CYBMUJFWSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262915391 240375443 /nfs/dbraw/zinc/37/54/43/240375443.db2.gz FSQMEXGDSDCNID-HUUCEWRRSA-N -1 0 339.819 2.852 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262930113 240375573 /nfs/dbraw/zinc/37/55/73/240375573.db2.gz OUGPHGLJPVAKBV-JTQLQIEISA-N -1 0 346.261 2.763 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000262938126 240375739 /nfs/dbraw/zinc/37/57/39/240375739.db2.gz POYFCJZAESNDGT-AWEZNQCLSA-N -1 0 328.368 2.728 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000263013835 240376470 /nfs/dbraw/zinc/37/64/70/240376470.db2.gz NHFOVCBQVIKQBK-CYBMUJFWSA-N -1 0 349.408 2.604 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC000263076072 240376478 /nfs/dbraw/zinc/37/64/78/240376478.db2.gz RTCSJYRINPGYHR-HOCLYGCPSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)C(=O)[O-] ZINC000263014546 240376496 /nfs/dbraw/zinc/37/64/96/240376496.db2.gz XONBFGPAQGEWHP-GFCCVEGCSA-N -1 0 331.372 2.804 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)[O-] ZINC000263020633 240377233 /nfs/dbraw/zinc/37/72/33/240377233.db2.gz NUEACWWVMJJKSO-INIZCTEOSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc(OCC(C)C)c(OC)c1)C(=O)[O-] ZINC000263044919 240377649 /nfs/dbraw/zinc/37/76/49/240377649.db2.gz ZYIOIWGXCQVCGD-AWEZNQCLSA-N -1 0 335.400 2.879 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC000263076069 240378508 /nfs/dbraw/zinc/37/85/08/240378508.db2.gz RTCSJYRINPGYHR-GDBMZVCRSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000263074603 240378638 /nfs/dbraw/zinc/37/86/38/240378638.db2.gz RQIHSOMIKNOPPJ-ZDUSSCGKSA-N -1 0 337.441 2.722 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000263374230 240382556 /nfs/dbraw/zinc/38/25/56/240382556.db2.gz WIJKHORHKIKFPH-FVQBIDKESA-N -1 0 329.400 2.784 20 30 EFEDRM C=CCc1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc(OC)c1OC ZINC000263349444 240382717 /nfs/dbraw/zinc/38/27/17/240382717.db2.gz VCABOLDNVLOCTR-IBGZPJMESA-N -1 0 347.411 2.759 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263373538 240383031 /nfs/dbraw/zinc/38/30/31/240383031.db2.gz WBTPGKAFMIENBX-HIFRSBDPSA-N -1 0 332.400 2.504 20 30 EFEDRM N#CCCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263390754 240383057 /nfs/dbraw/zinc/38/30/57/240383057.db2.gz QKKXVIOWTNEYIJ-HZPDHXFCSA-N -1 0 329.400 2.928 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263399646 240383474 /nfs/dbraw/zinc/38/34/74/240383474.db2.gz RWAVVQKQPYQKLT-JCYILVPMSA-N -1 0 328.412 2.564 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000263506249 240384759 /nfs/dbraw/zinc/38/47/59/240384759.db2.gz BFAVTBYMZWMWFW-LBPRGKRZSA-N -1 0 344.180 2.666 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Br)cc2)C(=O)O1 ZINC000022200977 212282565 /nfs/dbraw/zinc/28/25/65/212282565.db2.gz UUHNHXIWFJXSJD-BTKRWWFXSA-N -1 0 335.153 2.677 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000288459261 241014763 /nfs/dbraw/zinc/01/47/63/241014763.db2.gz ACFYTVMUYFPOOP-UHFFFAOYSA-N -1 0 325.205 2.685 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000296916409 241103475 /nfs/dbraw/zinc/10/34/75/241103475.db2.gz BDEICQMWBHKAQA-HEWZJLJBSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1OC ZINC000296916428 241103871 /nfs/dbraw/zinc/10/38/71/241103871.db2.gz BDEICQMWBHKAQA-LOWQCSRCSA-N -1 0 345.395 2.739 20 30 EFEDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cccn2c([O-])nnc12 ZINC000329124055 241307083 /nfs/dbraw/zinc/30/70/83/241307083.db2.gz XLJGAVVYQLIDGA-WCQYABFASA-N -1 0 332.404 2.581 20 30 EFEDRM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000329675914 241417867 /nfs/dbraw/zinc/41/78/67/241417867.db2.gz VXHMJNFALACKAH-QTVXIADOSA-N -1 0 349.479 2.859 20 30 EFEDRM CCc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(F)cc1 ZINC000354468817 242002114 /nfs/dbraw/zinc/00/21/14/242002114.db2.gz PUYWKJRDQOOIFG-CQSZACIVSA-N -1 0 335.342 2.854 20 30 EFEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3ccncn3)cc2s1 ZINC000354468806 242000627 /nfs/dbraw/zinc/00/06/27/242000627.db2.gz PRGGXUBYSNPLAA-QMMMGPOBSA-N -1 0 329.410 2.704 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2conc2C2CC2)n1 ZINC000354975985 242018226 /nfs/dbraw/zinc/01/82/26/242018226.db2.gz ZVAQDDOIJXMALY-VIFPVBQESA-N -1 0 331.353 2.675 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(CCC(C)C)nn3)nc21 ZINC000355242125 242024132 /nfs/dbraw/zinc/02/41/32/242024132.db2.gz WNNCCZOXHIUSEE-ZDUSSCGKSA-N -1 0 336.399 2.999 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)nc2)c1 ZINC000359109272 242141426 /nfs/dbraw/zinc/14/14/26/242141426.db2.gz ODZKRWLTYSWVRA-UHFFFAOYSA-N -1 0 334.397 2.846 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cn(CCCC#N)c3ccccc23)c1C#N ZINC000357234412 242091799 /nfs/dbraw/zinc/09/17/99/242091799.db2.gz UBFJHWLDVKEGLK-UHFFFAOYSA-N -1 0 332.367 2.522 20 30 EFEDRM C=CCN(CCC#N)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000359436972 242152940 /nfs/dbraw/zinc/15/29/40/242152940.db2.gz QRSMJVNJIBTXST-UHFFFAOYSA-N -1 0 328.347 2.567 20 30 EFEDRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cc(F)c(F)c(F)c1F ZINC000359643141 242159720 /nfs/dbraw/zinc/15/97/20/242159720.db2.gz KQUBAXGTJROBSD-UHFFFAOYSA-N -1 0 339.170 2.726 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000360863104 242212379 /nfs/dbraw/zinc/21/23/79/242212379.db2.gz ZCIKJGLKLHWKMC-UHFFFAOYSA-N -1 0 347.392 2.679 20 30 EFEDRM N#CCc1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000362738390 242263995 /nfs/dbraw/zinc/26/39/95/242263995.db2.gz VLJNPOUSDPZZSS-MRXNPFEDSA-N -1 0 340.354 2.565 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(N)=O)s1)c1cc(C(F)(F)F)ccn1 ZINC000362134842 242245493 /nfs/dbraw/zinc/24/54/93/242245493.db2.gz DKUHUAPXCHJUOE-MRVPVSSYSA-N -1 0 339.298 2.751 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)c1C#N ZINC000412289936 243247562 /nfs/dbraw/zinc/24/75/62/243247562.db2.gz UNDHIPDUJFZTKK-UHFFFAOYSA-N -1 0 340.383 2.528 20 30 EFEDRM COc1cc(Cl)c(F)c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1 ZINC000412328869 243270679 /nfs/dbraw/zinc/27/06/79/243270679.db2.gz AIQKIAIUNLTIGI-UHFFFAOYSA-N -1 0 334.738 2.634 20 30 EFEDRM Cc1nn(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1C(F)F ZINC000414386035 244126926 /nfs/dbraw/zinc/12/69/26/244126926.db2.gz SPUDHDSKOAKNBO-UHFFFAOYSA-N -1 0 340.355 2.533 20 30 EFEDRM CN(CCCC(=O)[O-])c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000416421192 244681134 /nfs/dbraw/zinc/68/11/34/244681134.db2.gz AZNMIUNZGTVWHF-UHFFFAOYSA-N -1 0 326.400 2.785 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2cc(C(=O)OC)sc21 ZINC000416957126 244933501 /nfs/dbraw/zinc/93/35/01/244933501.db2.gz KYBAGACEZIBNOD-JTQLQIEISA-N -1 0 338.410 2.732 20 30 EFEDRM C=CCSCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262766870 245167611 /nfs/dbraw/zinc/16/76/11/245167611.db2.gz KWYBQFQKQHKFCN-LLVKDONJSA-N -1 0 325.455 2.901 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000263287265 245382494 /nfs/dbraw/zinc/38/24/94/245382494.db2.gz PZDDKVMSSZDGDF-GXTWGEPZSA-N -1 0 335.400 2.938 20 30 EFEDRM Cc1occc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393273 214004579 /nfs/dbraw/zinc/00/45/79/214004579.db2.gz XSPIBKRJEQQGQX-ZDUSSCGKSA-N -1 0 334.339 2.589 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000078814101 217126874 /nfs/dbraw/zinc/12/68/74/217126874.db2.gz AQMULMWTBWYROS-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1C ZINC000079107647 217195327 /nfs/dbraw/zinc/19/53/27/217195327.db2.gz WTIVITMZYXVBKH-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(=C)CC3)cc2[n-]c1=S ZINC000264153322 246116771 /nfs/dbraw/zinc/11/67/71/246116771.db2.gz ZVPWZWGIEQYEMW-UHFFFAOYSA-N -1 0 341.436 2.663 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000422534516 246379816 /nfs/dbraw/zinc/37/98/16/246379816.db2.gz AWUHMXNLTPPHNT-CMPLNLGQSA-N -1 0 335.791 2.981 20 30 EFEDRM C=CCC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCOCC1 ZINC000425246222 247015112 /nfs/dbraw/zinc/01/51/12/247015112.db2.gz VOSSBYNJPOKVQR-MRXNPFEDSA-N -1 0 329.396 2.570 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)N(CCC#N)Cc2ccco2)s[n-]1 ZINC000426060509 247232262 /nfs/dbraw/zinc/23/22/62/247232262.db2.gz RIGIDFHCHINVCC-UHFFFAOYSA-N -1 0 333.417 2.798 20 30 EFEDRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427278409 247332407 /nfs/dbraw/zinc/33/24/07/247332407.db2.gz ZCKMOQFYLRPXIU-UHFFFAOYSA-N -1 0 336.392 2.741 20 30 EFEDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427302096 247334585 /nfs/dbraw/zinc/33/45/85/247334585.db2.gz MXOSSGIMIXPYIJ-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(OC)c1 ZINC000427099152 247316527 /nfs/dbraw/zinc/31/65/27/247316527.db2.gz FIHJTSAWAGQBPU-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427120942 247319162 /nfs/dbraw/zinc/31/91/62/247319162.db2.gz FTWLXQJWIMUMTH-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1[N+](=O)[O-] ZINC000427760541 247390515 /nfs/dbraw/zinc/39/05/15/247390515.db2.gz PQIUDUDZRUGPHE-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1F ZINC000427761626 247391768 /nfs/dbraw/zinc/39/17/68/247391768.db2.gz RHEYDKJRXUEPPJ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1F ZINC000427777151 247393265 /nfs/dbraw/zinc/39/32/65/247393265.db2.gz GLOGWRSPACXEMF-UHFFFAOYSA-N -1 0 342.355 2.888 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427790181 247393862 /nfs/dbraw/zinc/39/38/62/247393862.db2.gz RKFUJYFMTCQNNP-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2n1 ZINC000433109875 248018296 /nfs/dbraw/zinc/01/82/96/248018296.db2.gz MENXDJOIURSKNK-NSHDSACASA-N -1 0 345.284 2.942 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)c2n1 ZINC000433194433 248025844 /nfs/dbraw/zinc/02/58/44/248025844.db2.gz WZMRZXSJCIYXFO-LBPRGKRZSA-N -1 0 330.351 2.713 20 30 EFEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000435338449 248227530 /nfs/dbraw/zinc/22/75/30/248227530.db2.gz DTDKXLVBIDVTGE-FLIBITNWSA-N -1 0 325.368 2.918 20 30 EFEDRM COCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000435341475 248227629 /nfs/dbraw/zinc/22/76/29/248227629.db2.gz XUGUPGZFBQNZCS-BENRWUELSA-N -1 0 325.368 2.536 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)s1 ZINC000435477580 248246196 /nfs/dbraw/zinc/24/61/96/248246196.db2.gz BSFKKCPFFLFPAC-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435900808 249436068 /nfs/dbraw/zinc/43/60/68/249436068.db2.gz CYSNOZKKIJKRDP-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435896352 249437179 /nfs/dbraw/zinc/43/71/79/249437179.db2.gz DLSWLTZFYAYGTK-UHFFFAOYSA-N -1 0 335.147 2.528 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436784437 249595734 /nfs/dbraw/zinc/59/57/34/249595734.db2.gz QBJGVVKJGQUPRF-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1[O-] ZINC000442616990 250090456 /nfs/dbraw/zinc/09/04/56/250090456.db2.gz NJBBINFKLQZHJK-UHFFFAOYSA-N -1 0 335.363 2.752 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000442619648 250091574 /nfs/dbraw/zinc/09/15/74/250091574.db2.gz KTNMKBSLZXYPHN-JOYOIKCWSA-N -1 0 347.234 2.793 20 30 EFEDRM CN(C)C(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000442641435 250093472 /nfs/dbraw/zinc/09/34/72/250093472.db2.gz ARKQQSHBVCZPRX-UHFFFAOYSA-N -1 0 343.770 2.871 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccn3)cc2[n-]c1=S ZINC000009884865 211130957 /nfs/dbraw/zinc/13/09/57/211130957.db2.gz QICWMUFKLHEBJY-UHFFFAOYSA-N -1 0 338.392 2.892 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1[O-] ZINC000442641872 250094906 /nfs/dbraw/zinc/09/49/06/250094906.db2.gz DGCIJECYFFITQC-UHFFFAOYSA-N -1 0 325.299 2.540 20 30 EFEDRM CC(=O)N1CCCc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc21 ZINC000442657920 250096274 /nfs/dbraw/zinc/09/62/74/250096274.db2.gz WGJBGFOUDFTVJJ-UHFFFAOYSA-N -1 0 335.363 2.815 20 30 EFEDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@@H](C)CCc1ccccc1F ZINC000095404953 218340479 /nfs/dbraw/zinc/34/04/79/218340479.db2.gz GQKNYAHNXKUHTK-LBPRGKRZSA-N -1 0 330.425 2.936 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)[O-] ZINC000448990330 250869353 /nfs/dbraw/zinc/86/93/53/250869353.db2.gz GVWOXYXNQGADNS-LLVKDONJSA-N -1 0 332.400 2.627 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C1CC1 ZINC000267467503 251083280 /nfs/dbraw/zinc/08/32/80/251083280.db2.gz PUEFCVJCFKEHSH-UHFFFAOYSA-N -1 0 330.413 2.761 20 30 EFEDRM CCCc1nc(=NC(=O)NC[C@@](C)(O)C2CCCCC2)s[n-]1 ZINC000330852257 535467393 /nfs/dbraw/zinc/46/73/93/535467393.db2.gz OANKBNRRJFBFBA-OAHLLOKOSA-N -1 0 326.466 2.570 20 30 EFEDRM COCc1nn(C)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453776891 252071918 /nfs/dbraw/zinc/07/19/18/252071918.db2.gz HNTRLYQPOPSVTB-SNVBAGLBSA-N -1 0 332.429 2.811 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000041521695 533561249 /nfs/dbraw/zinc/56/12/49/533561249.db2.gz BUVLNJJTRVDGNC-JTQLQIEISA-N -1 0 347.352 2.867 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436755013 285623093 /nfs/dbraw/zinc/62/30/93/285623093.db2.gz KQRQKQBHBYHQBA-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM N#Cc1ccc(OC2CCN(c3cccc(C(=O)[O-])n3)CC2)c(F)c1 ZINC000263409036 141391374 /nfs/dbraw/zinc/39/13/74/141391374.db2.gz LQWPMNAADCEUDE-UHFFFAOYSA-N -1 0 341.342 2.838 20 30 EFEDRM N#Cc1ccc(OC2CCC(Nc3cccc(C(=O)[O-])n3)CC2)nc1 ZINC000263407839 141391549 /nfs/dbraw/zinc/39/15/49/141391549.db2.gz LHCRGOLJZAVLPQ-UHFFFAOYSA-N -1 0 338.367 2.849 20 30 EFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@H](C(=O)[O-])C1 ZINC000263481208 141398052 /nfs/dbraw/zinc/39/80/52/141398052.db2.gz GJXMUMOJDGMHLU-VIFPVBQESA-N -1 0 333.294 2.619 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)o1 ZINC000344551550 142039247 /nfs/dbraw/zinc/03/92/47/142039247.db2.gz TYCGDENXNGLMFJ-GFCCVEGCSA-N -1 0 348.277 2.872 20 30 EFEDRM N#Cc1ccccc1OCc1cccc(C(=O)N=c2cccn[n-]2)c1 ZINC000346077822 142144291 /nfs/dbraw/zinc/14/42/91/142144291.db2.gz QUXLXHNKRITZHY-UHFFFAOYSA-N -1 0 330.347 2.601 20 30 EFEDRM N#Cc1ccc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)c(F)c1 ZINC000347886040 142287108 /nfs/dbraw/zinc/28/71/08/142287108.db2.gz FQIYLDPZZXVWPW-INIZCTEOSA-N -1 0 336.326 2.791 20 30 EFEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1OC ZINC000349806214 142361841 /nfs/dbraw/zinc/36/18/41/142361841.db2.gz KLZCOJZBJDQQIH-UHFFFAOYSA-N -1 0 345.380 2.650 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccoc2)ccc1OCC(F)(F)F ZINC000350014353 142390331 /nfs/dbraw/zinc/39/03/31/142390331.db2.gz IIJKKXSAEHGZEK-UHFFFAOYSA-N -1 0 346.286 2.893 20 30 EFEDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340943418 144958566 /nfs/dbraw/zinc/95/85/66/144958566.db2.gz ALCNCYABNVFMLP-UHFFFAOYSA-N -1 0 339.760 2.564 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)[nH]nc1-c1ccccc1 ZINC000342451981 145129541 /nfs/dbraw/zinc/12/95/41/145129541.db2.gz REQFAHJDDXKODK-UHFFFAOYSA-N -1 0 328.353 2.651 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)o2)nc1-c1ccccc1 ZINC000342564640 145150035 /nfs/dbraw/zinc/15/00/35/145150035.db2.gz GCFNDAKWPUXFLG-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000342572429 145151519 /nfs/dbraw/zinc/15/15/19/145151519.db2.gz QEWQZPBGPFOASE-UHFFFAOYSA-N -1 0 326.328 2.513 20 30 EFEDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)o3)o2)c(C)c1 ZINC000342574837 145151974 /nfs/dbraw/zinc/15/19/74/145151974.db2.gz UHPMJPFSGPUCMV-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000343848662 145308204 /nfs/dbraw/zinc/30/82/04/145308204.db2.gz XOLCHBHTAITNIA-UHFFFAOYSA-N -1 0 329.425 2.609 20 30 EFEDRM N#Cc1ccc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)s1 ZINC000343874841 145314514 /nfs/dbraw/zinc/31/45/14/145314514.db2.gz OTSWJOOKKDMFRO-UTCJRWHESA-N -1 0 328.378 2.909 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000349167700 146061627 /nfs/dbraw/zinc/06/16/27/146061627.db2.gz NXFCOSQBKCCBKC-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cn1 ZINC000350865167 146097432 /nfs/dbraw/zinc/09/74/32/146097432.db2.gz ASMZRUMSQUHEHX-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000350972797 146104544 /nfs/dbraw/zinc/10/45/44/146104544.db2.gz UJXQISJFFCYDPF-UHFFFAOYSA-N -1 0 335.360 2.548 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1 ZINC000351217883 146116807 /nfs/dbraw/zinc/11/68/07/146116807.db2.gz DXMGQQBKYHKLNT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1noc2ccccc12 ZINC000351304789 146121095 /nfs/dbraw/zinc/12/10/95/146121095.db2.gz OWNXZSSQSZOCEZ-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000351832484 146214064 /nfs/dbraw/zinc/21/40/64/146214064.db2.gz MPRAQEJGYJMVDF-UHFFFAOYSA-N -1 0 340.726 2.807 20 30 EFEDRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000355808224 147070628 /nfs/dbraw/zinc/07/06/28/147070628.db2.gz CJOLKOAMQHAHMQ-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000355837102 147078915 /nfs/dbraw/zinc/07/89/15/147078915.db2.gz GCWZJTVLNOOKET-UHFFFAOYSA-N -1 0 326.328 2.637 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1 ZINC000356243717 147187004 /nfs/dbraw/zinc/18/70/04/147187004.db2.gz HAETZBYJBJBRKN-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000356491459 147259546 /nfs/dbraw/zinc/25/95/46/147259546.db2.gz SCJOFFKKJRQHDN-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(OCc3cccs3)c2)c1C#N ZINC000357248448 147469573 /nfs/dbraw/zinc/46/95/73/147469573.db2.gz DIQURIOPUDTCBO-UHFFFAOYSA-N -1 0 338.392 2.905 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(-c2cccs2)on1 ZINC000359721351 148172100 /nfs/dbraw/zinc/17/21/00/148172100.db2.gz XXGWDVDJWZKYRA-UHFFFAOYSA-N -1 0 325.353 2.549 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(Br)c(F)c1 ZINC000359723372 148172113 /nfs/dbraw/zinc/17/21/13/148172113.db2.gz IXSNGQFCJKKYPQ-UHFFFAOYSA-N -1 0 349.163 2.735 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(C#N)c1 ZINC000360138925 148281904 /nfs/dbraw/zinc/28/19/04/148281904.db2.gz BEGDMQXKAZWXDJ-LLVKDONJSA-N -1 0 334.335 2.644 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2=O)cc1 ZINC000360157998 148286653 /nfs/dbraw/zinc/28/66/53/148286653.db2.gz WPTJMYJRWVYVEO-AWEZNQCLSA-N -1 0 346.390 2.837 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)n[nH]c1C1CC1 ZINC000362664516 148865608 /nfs/dbraw/zinc/86/56/08/148865608.db2.gz MFFHELLTQCTRQE-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CN=c3[n-]nc(C(F)F)s3)n2)c1 ZINC000367585213 149906544 /nfs/dbraw/zinc/90/65/44/149906544.db2.gz CVJBMJCLOSXAMM-UHFFFAOYSA-N -1 0 332.339 2.771 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)on1 ZINC000373604710 151197387 /nfs/dbraw/zinc/19/73/87/151197387.db2.gz SCTXLQQQCATKNL-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C2C3CC4CC(C3)CC2C4)[n-]1 ZINC000408243009 152167974 /nfs/dbraw/zinc/16/79/74/152167974.db2.gz BIJQDBLBDZOOAB-UHFFFAOYSA-N -1 0 326.444 2.942 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCOC3(CCCC3)C2)s1 ZINC000330203946 286722984 /nfs/dbraw/zinc/72/29/84/286722984.db2.gz BELPWUPMIFMRSA-SNVBAGLBSA-N -1 0 342.490 2.890 20 30 EFEDRM N#CC(=C([O-])c1occc1Br)c1nnc2n1CCCCC2 ZINC000083764845 544504851 /nfs/dbraw/zinc/50/48/51/544504851.db2.gz YCMONGVHALHNON-VIFPVBQESA-N -1 0 349.188 2.850 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(CC)nn(C)c2CC)c1 ZINC000156719820 544768764 /nfs/dbraw/zinc/76/87/64/544768764.db2.gz NTBLEYYHIJWXFK-UHFFFAOYSA-N -1 0 349.456 2.911 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000184931274 544969398 /nfs/dbraw/zinc/96/93/98/544969398.db2.gz BNALDSRNXSAKMF-UHFFFAOYSA-N -1 0 348.424 2.583 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(F)c1 ZINC000451831012 269952890 /nfs/dbraw/zinc/95/28/90/269952890.db2.gz ZDQIEVDVHRQBIZ-SECBINFHSA-N -1 0 336.310 2.550 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000083956153 264621178 /nfs/dbraw/zinc/62/11/78/264621178.db2.gz RERCQQUKBKWTJM-UHFFFAOYSA-N -1 0 342.833 2.987 20 30 EFEDRM CC(C)COc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290508655 270024347 /nfs/dbraw/zinc/02/43/47/270024347.db2.gz IGMAAWPNNBYUES-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCSc3ccccc32)[n-]1 ZINC000531831072 270035349 /nfs/dbraw/zinc/03/53/49/270035349.db2.gz ZFONIZUYFWKFHG-CQSZACIVSA-N -1 0 326.425 2.976 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1O ZINC000188427230 265133307 /nfs/dbraw/zinc/13/33/07/265133307.db2.gz GWEGXLAWSBTDKY-KRWDZBQOSA-N -1 0 326.327 2.617 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1O ZINC000188427546 265133530 /nfs/dbraw/zinc/13/35/30/265133530.db2.gz MXRUEAKQUFAFJL-QGZVFWFLSA-N -1 0 326.327 2.617 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)cc1[N+](=O)[O-] ZINC000191908299 265282319 /nfs/dbraw/zinc/28/23/19/265282319.db2.gz UXGSRLVTWNUIEZ-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C/Sc2ccccc2)c1 ZINC000194003917 265357167 /nfs/dbraw/zinc/35/71/67/265357167.db2.gz XDMJBLQWBQXSBY-MDZDMXLPSA-N -1 0 344.417 2.669 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427220555 266839626 /nfs/dbraw/zinc/83/96/26/266839626.db2.gz VHGJYELHURGKAE-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(C#N)ccc1F ZINC000292047195 267111324 /nfs/dbraw/zinc/11/13/24/267111324.db2.gz BFWCIYGOUSDWCG-QMTHXVAHSA-N -1 0 343.324 2.729 20 30 EFEDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccoc2)cc1C#N ZINC000495810092 267131037 /nfs/dbraw/zinc/13/10/37/267131037.db2.gz MWWVIEFLTMGCFK-UHFFFAOYSA-N -1 0 335.341 2.520 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000282221984 267312264 /nfs/dbraw/zinc/31/22/64/267312264.db2.gz COGIKHAKDRUJBC-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc(C(=O)[O-])c1 ZINC000350482539 267348998 /nfs/dbraw/zinc/34/89/98/267348998.db2.gz SFSCIRQKCKCQOE-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)ccc1C#N ZINC000324190732 267359931 /nfs/dbraw/zinc/35/99/31/267359931.db2.gz OMYLQKQTQXPHOP-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c(C)o1 ZINC000351401024 267361480 /nfs/dbraw/zinc/36/14/80/267361480.db2.gz SMVLRSCJPPRWDR-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c(F)c1 ZINC000278399348 267428870 /nfs/dbraw/zinc/42/88/70/267428870.db2.gz OAVIOGSSBYDUQM-UHFFFAOYSA-N -1 0 334.376 2.548 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccnn2CCc2ccccc2)cc1[O-] ZINC000188406476 268047864 /nfs/dbraw/zinc/04/78/64/268047864.db2.gz CQMQWLXQIHBLIV-UHFFFAOYSA-N -1 0 332.363 2.955 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1[O-] ZINC000527199359 268206583 /nfs/dbraw/zinc/20/65/83/268206583.db2.gz DIGHLCLZSFPPBC-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)o1 ZINC000342453172 268208257 /nfs/dbraw/zinc/20/82/57/268208257.db2.gz RYAQOQZKGRVESF-UHFFFAOYSA-N -1 0 349.371 2.747 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1Br ZINC000432955860 268261002 /nfs/dbraw/zinc/26/10/02/268261002.db2.gz PTKCKTPMTFXLBI-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM N#Cc1nc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1Cl ZINC000290674362 268322256 /nfs/dbraw/zinc/32/22/56/268322256.db2.gz KUQKHBDSZKRWOD-SECBINFHSA-N -1 0 346.740 2.502 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000055548560 292654570 /nfs/dbraw/zinc/65/45/70/292654570.db2.gz OVMVNBVJXKMMHA-UHFFFAOYSA-N -1 0 336.756 2.711 20 30 EFEDRM CC(C)CN(CCC(=O)[O-])C(=O)CSCc1ccc(C#N)cc1 ZINC000236715053 278853938 /nfs/dbraw/zinc/85/39/38/278853938.db2.gz CPWPEKLWFVITPS-UHFFFAOYSA-N -1 0 334.441 2.751 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C(=O)[O-] ZINC000424391576 279157387 /nfs/dbraw/zinc/15/73/87/279157387.db2.gz QRMMCIKKTFJCTC-CYBMUJFWSA-N -1 0 334.420 2.983 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000122100709 292958320 /nfs/dbraw/zinc/95/83/20/292958320.db2.gz BNPJQEGUNBSXAL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1ccc(N2CCN(C(=O)c3c([O-])cccc3F)CC2)c(F)c1 ZINC000122267423 292960619 /nfs/dbraw/zinc/96/06/19/292960619.db2.gz HHIMCBAMCNRUBE-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000127919554 293085582 /nfs/dbraw/zinc/08/55/82/293085582.db2.gz AXAQJTZAYWDFOM-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1c(F)cccc1N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000128954666 293119831 /nfs/dbraw/zinc/11/98/31/293119831.db2.gz AVWLPMJYGHFCMW-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000132629587 293232506 /nfs/dbraw/zinc/23/25/06/293232506.db2.gz GHLKSTAZJKOPLW-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000152597670 293341038 /nfs/dbraw/zinc/34/10/38/293341038.db2.gz GJQOYFYQECULBU-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158065729 293563533 /nfs/dbraw/zinc/56/35/33/293563533.db2.gz IIRNPRSTZGMNMV-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM COc1ccc(CCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000067150957 295119285 /nfs/dbraw/zinc/11/92/85/295119285.db2.gz BJCNMRQUWZHUKI-UHFFFAOYSA-N -1 0 337.383 2.903 20 30 EFEDRM Cc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000363274165 302466491 /nfs/dbraw/zinc/46/64/91/302466491.db2.gz JFGNRIYRMPCTEV-KGLIPLIRSA-N -1 0 327.413 2.572 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1C(C)C ZINC000354470327 302559032 /nfs/dbraw/zinc/55/90/32/302559032.db2.gz NHOZBLDYBMSDGW-OAHLLOKOSA-N -1 0 346.394 2.979 20 30 EFEDRM N#CC1(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)CCCC1 ZINC000097035311 303139422 /nfs/dbraw/zinc/13/94/22/303139422.db2.gz ZEOKEDOWIIPGRK-UHFFFAOYSA-N -1 0 326.396 2.715 20 30 EFEDRM N#CCc1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000337796082 303157372 /nfs/dbraw/zinc/15/73/72/303157372.db2.gz DIQBRFJVLIBBRU-UHFFFAOYSA-N -1 0 344.392 2.571 20 30 EFEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nnc2n1CCCCC2 ZINC000187288112 303157791 /nfs/dbraw/zinc/15/77/91/303157791.db2.gz UIGPOZBDPCVHBY-ZDUSSCGKSA-N -1 0 339.399 2.751 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000097135114 303183350 /nfs/dbraw/zinc/18/33/50/303183350.db2.gz CDMPORIPEWTPCA-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM N#Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])ccc1F ZINC000084388895 303185408 /nfs/dbraw/zinc/18/54/08/303185408.db2.gz XRVQSFHYLCUZDX-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1C#N ZINC000137254872 310668046 /nfs/dbraw/zinc/66/80/46/310668046.db2.gz JTZVLZVFCJULLD-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1F ZINC000137297489 310668414 /nfs/dbraw/zinc/66/84/14/310668414.db2.gz OJXFSRPHVCSWHV-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000322708913 311239673 /nfs/dbraw/zinc/23/96/73/311239673.db2.gz SAYOIVQMVSQCIM-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cnn1CC(C)C ZINC000535744728 317605508 /nfs/dbraw/zinc/60/55/08/317605508.db2.gz WPJNNLJTSTXBDG-UHFFFAOYSA-N -1 0 336.392 2.659 20 30 EFEDRM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C ZINC000540570510 317747105 /nfs/dbraw/zinc/74/71/05/317747105.db2.gz DMRRPMKXMXXZBB-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000546707437 317975852 /nfs/dbraw/zinc/97/58/52/317975852.db2.gz NKJVZHQYBSZELA-UHFFFAOYSA-N -1 0 348.428 2.762 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c(C)c1 ZINC000547414515 318005480 /nfs/dbraw/zinc/00/54/80/318005480.db2.gz YDHHTBLKUOCRCK-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548593614 318121834 /nfs/dbraw/zinc/12/18/34/318121834.db2.gz ISXQRHRYKQFMLT-JTQLQIEISA-N -1 0 344.820 2.523 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000551934823 318227413 /nfs/dbraw/zinc/22/74/13/318227413.db2.gz ZSKVBDBPJQKZQN-UHFFFAOYSA-N -1 0 332.703 2.781 20 30 EFEDRM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1F ZINC000551944607 318228669 /nfs/dbraw/zinc/22/86/69/318228669.db2.gz RJZFCGKFJFTMDK-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM N#Cc1ccc(CN(C(=O)N=c2[n-]nc(C3CC3)s2)C2CC2)cc1 ZINC000559765123 318518736 /nfs/dbraw/zinc/51/87/36/318518736.db2.gz CJBSHJLSZCOPBS-UHFFFAOYSA-N -1 0 339.424 2.906 20 30 EFEDRM CCOc1cc(C#N)cc(-c2cc(OC)ns2)c1OCC(=O)[O-] ZINC000565236246 318950204 /nfs/dbraw/zinc/95/02/04/318950204.db2.gz DBLUUYPEYUNKTH-UHFFFAOYSA-N -1 0 334.353 2.552 20 30 EFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)s1 ZINC000567658557 319192670 /nfs/dbraw/zinc/19/26/70/319192670.db2.gz CHVVBBFSQJGCOY-UHFFFAOYSA-N -1 0 334.422 2.918 20 30 EFEDRM N#Cc1cc(Sc2n[n-]c(=Nc3ccccc3F)s2)ncn1 ZINC000568349026 319272859 /nfs/dbraw/zinc/27/28/59/319272859.db2.gz ITLQNHMGWFRPHP-UHFFFAOYSA-N -1 0 330.373 2.656 20 30 EFEDRM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000570906198 319523492 /nfs/dbraw/zinc/52/34/92/319523492.db2.gz BPGUBTIKIWVGJU-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000574955503 319911038 /nfs/dbraw/zinc/91/10/38/319911038.db2.gz FZHWEMZFDNODHM-CYBMUJFWSA-N -1 0 338.429 2.508 20 30 EFEDRM CCC[C@@H](CCCCNS(=O)(=O)c1ccccc1C#N)C(=O)[O-] ZINC000574955504 319911063 /nfs/dbraw/zinc/91/10/63/319911063.db2.gz FZHWEMZFDNODHM-ZDUSSCGKSA-N -1 0 338.429 2.508 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000576394751 320012055 /nfs/dbraw/zinc/01/20/55/320012055.db2.gz WQBSREISFIQGHV-UHFFFAOYSA-N -1 0 331.401 2.525 20 30 EFEDRM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000577165891 320083358 /nfs/dbraw/zinc/08/33/58/320083358.db2.gz ORVCKHRPWXJTGR-ZDUSSCGKSA-N -1 0 341.314 2.535 20 30 EFEDRM N#Cc1c(F)cccc1S([O-])=CC(=O)NCCC1CCCCC1 ZINC000577746880 320140795 /nfs/dbraw/zinc/14/07/95/320140795.db2.gz KSBFLXNJLNJCQQ-HSZRJFAPSA-N -1 0 336.432 2.892 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000577973029 320160968 /nfs/dbraw/zinc/16/09/68/320160968.db2.gz XIWRSQMXZDLGOE-GFCCVEGCSA-N -1 0 336.335 2.941 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1C#N ZINC000181140813 323228135 /nfs/dbraw/zinc/22/81/35/323228135.db2.gz DSFIJGKSQVLSTB-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2cccc(C#N)c2)n1CC(C)C ZINC000580019345 324076982 /nfs/dbraw/zinc/07/69/82/324076982.db2.gz KTUGEWWIFCHXJE-UHFFFAOYSA-N -1 0 349.442 2.989 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c(F)c1 ZINC000581284353 324342022 /nfs/dbraw/zinc/34/20/22/324342022.db2.gz HCBKTLVCJCJGOI-UHFFFAOYSA-N -1 0 331.372 2.772 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2 ZINC000042324459 472129117 /nfs/dbraw/zinc/12/91/17/472129117.db2.gz XWMKFMTZSNIVAV-UHFFFAOYSA-N -1 0 347.440 2.609 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1 ZINC000042325961 472129153 /nfs/dbraw/zinc/12/91/53/472129153.db2.gz SKNCSLFRWPWJIP-RMKNXTFCSA-N -1 0 337.376 2.535 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2n[n-]c(=S)s2)C1 ZINC000081756304 473250394 /nfs/dbraw/zinc/25/03/94/473250394.db2.gz GVANRZGHZRISRS-PELKAZGASA-N -1 0 328.488 2.508 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000184871820 473259590 /nfs/dbraw/zinc/25/95/90/473259590.db2.gz PJDGPRNBMJBEAV-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C)nn1C ZINC000112483537 473275174 /nfs/dbraw/zinc/27/51/74/473275174.db2.gz CCQXBUYELGJTJL-SNVBAGLBSA-N -1 0 338.289 2.641 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c(C)nn1C ZINC000112483535 473275827 /nfs/dbraw/zinc/27/58/27/473275827.db2.gz CCQXBUYELGJTJL-JTQLQIEISA-N -1 0 338.289 2.641 20 30 EFEDRM N#C[C@@H](NC(=O)c1ncccc1O)c1cccc(Br)c1 ZINC000124697321 473288338 /nfs/dbraw/zinc/28/83/38/473288338.db2.gz VGPHOSUTISNURW-LLVKDONJSA-N -1 0 332.157 2.544 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000185001917 473296797 /nfs/dbraw/zinc/29/67/97/473296797.db2.gz CYGZQAYNOPGOAY-UHFFFAOYSA-N -1 0 342.417 2.627 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC000171268146 473345760 /nfs/dbraw/zinc/34/57/60/473345760.db2.gz ABETWUXOHDHUAD-UHFFFAOYSA-N -1 0 341.392 2.634 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1F ZINC000177300351 473351492 /nfs/dbraw/zinc/35/14/92/473351492.db2.gz YXCYPHGGUFXZKX-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM Cn1cnc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)ccc21 ZINC000083577502 473351785 /nfs/dbraw/zinc/35/17/85/473351785.db2.gz XSMJQDNGYKQDEP-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM O=C(C=Cc1ccc2ccccc2n1)[N-]S(=O)(=O)c1cccnc1 ZINC000083937446 473373394 /nfs/dbraw/zinc/37/33/94/473373394.db2.gz WOMIYIDSEGWDLF-MDZDMXLPSA-N -1 0 339.376 2.988 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000125290370 473389282 /nfs/dbraw/zinc/38/92/82/473389282.db2.gz CQVVQUNFWGKELE-UHFFFAOYSA-N -1 0 333.417 2.637 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006316416 471541061 /nfs/dbraw/zinc/54/10/61/471541061.db2.gz BLKYFWMXFNZZKA-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1 ZINC000012649104 471787673 /nfs/dbraw/zinc/78/76/73/471787673.db2.gz GVLSAGVPBMRLEO-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000013067854 471815474 /nfs/dbraw/zinc/81/54/74/471815474.db2.gz FNPHLKMXRQOFKP-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013170938 471820170 /nfs/dbraw/zinc/82/01/70/471820170.db2.gz ZKGUQRGKXGYPPT-HEWZJLJBSA-N -1 0 345.395 2.596 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2nc(C)n(-c3ccc(F)cc3)n2)n1 ZINC000041518133 472067261 /nfs/dbraw/zinc/06/72/61/472067261.db2.gz PXKBMSNHOXEXBY-CYBMUJFWSA-N -1 0 341.371 2.970 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1ccc(C(F)(F)F)cn1 ZINC000041552939 472068703 /nfs/dbraw/zinc/06/87/03/472068703.db2.gz MNIQDZSWOLMEFC-JTQLQIEISA-N -1 0 331.257 2.633 20 30 EFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000068077276 472131303 /nfs/dbraw/zinc/13/13/03/472131303.db2.gz ZUJHMAHGMTZTAF-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c(OC)c1 ZINC000027606052 472187626 /nfs/dbraw/zinc/18/76/26/472187626.db2.gz BLIRQHGPKHLKPT-UHFFFAOYSA-N -1 0 345.380 2.650 20 30 EFEDRM CCOc1ccc(CC(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000084807987 472219249 /nfs/dbraw/zinc/21/92/49/472219249.db2.gz VGRPHHVLCGZEEW-UHFFFAOYSA-N -1 0 338.385 2.578 20 30 EFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000028808709 472237445 /nfs/dbraw/zinc/23/74/45/472237445.db2.gz GUDBJYLQWOQBAO-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM N#Cc1ccc(-c2ccc(OS(=O)(=O)c3cnc[n-]3)cc2)cc1 ZINC000076018095 472240706 /nfs/dbraw/zinc/24/07/06/472240706.db2.gz WEUFJYLEXJEUMZ-UHFFFAOYSA-N -1 0 325.349 2.716 20 30 EFEDRM Cc1ccn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2n1 ZINC000076100168 472271090 /nfs/dbraw/zinc/27/10/90/472271090.db2.gz XBEBKLAHLMGSME-NSHDSACASA-N -1 0 345.284 2.942 20 30 EFEDRM O=C([O-])COc1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 ZINC000044025049 472280626 /nfs/dbraw/zinc/28/06/26/472280626.db2.gz NGPVEANEAHQLPL-RMKNXTFCSA-N -1 0 326.304 2.775 20 30 EFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(CC#N)c2)c1 ZINC000044944464 472355966 /nfs/dbraw/zinc/35/59/66/472355966.db2.gz UODBLOMTIFJXPR-UHFFFAOYSA-N -1 0 344.392 2.504 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1 ZINC000088547647 472372800 /nfs/dbraw/zinc/37/28/00/472372800.db2.gz ZAEJOLGBOSYCIK-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)N3CCCC3)n2)n1 ZINC000076764046 472399412 /nfs/dbraw/zinc/39/94/12/472399412.db2.gz BWSQMMKZNZNAGQ-LBPRGKRZSA-N -1 0 340.408 2.573 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1c(C)nn(CC(C)C)c1Cl ZINC000089285199 472405840 /nfs/dbraw/zinc/40/58/40/472405840.db2.gz HDIFJQJZGLBWNY-VOTSOKGWSA-N -1 0 345.852 2.986 20 30 EFEDRM CCCc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000076841860 472413677 /nfs/dbraw/zinc/41/36/77/472413677.db2.gz MBXSJESQQNADHC-NSHDSACASA-N -1 0 329.429 2.904 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc(C)n1 ZINC000097048805 472425451 /nfs/dbraw/zinc/42/54/51/472425451.db2.gz GELHFOOKYWHOEW-UHFFFAOYSA-N -1 0 336.804 2.673 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076935541 472426712 /nfs/dbraw/zinc/42/67/12/472426712.db2.gz HRKPBDMRSAOHAZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000097081323 472435460 /nfs/dbraw/zinc/43/54/60/472435460.db2.gz CWUKSEAQJSMGFN-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ncccc1C(F)(F)F ZINC000097112908 472454573 /nfs/dbraw/zinc/45/45/73/472454573.db2.gz HQSAARDUVUJKCY-UHFFFAOYSA-N -1 0 348.277 2.933 20 30 EFEDRM Cc1nscc1C(=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000097138844 472459704 /nfs/dbraw/zinc/45/97/04/472459704.db2.gz IRLBCUGZYLTMRQ-UHFFFAOYSA-N -1 0 332.353 2.732 20 30 EFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000045945745 472488761 /nfs/dbraw/zinc/48/87/61/472488761.db2.gz JAWZOYJVNMSABX-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058076449 472503682 /nfs/dbraw/zinc/50/36/82/472503682.db2.gz JRHLIERTKNXQCE-JTQLQIEISA-N -1 0 334.438 2.519 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1 ZINC000089781012 472506667 /nfs/dbraw/zinc/50/66/67/472506667.db2.gz WYSICPSDPLDZNI-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)COc2ccccc2C)c1 ZINC000058186500 472514279 /nfs/dbraw/zinc/51/42/79/472514279.db2.gz NDADUHMWMFQYSE-UHFFFAOYSA-N -1 0 335.381 2.728 20 30 EFEDRM C=CCN(Cc1cccs1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000129694727 472559294 /nfs/dbraw/zinc/55/92/94/472559294.db2.gz FULLCQKFUHTNRP-UHFFFAOYSA-N -1 0 347.465 2.758 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C3CCOCC3)c2C)n1 ZINC000155507393 472560419 /nfs/dbraw/zinc/56/04/19/472560419.db2.gz TWHRRQLTQQUXPS-CYBMUJFWSA-N -1 0 330.413 2.798 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000129806894 472566925 /nfs/dbraw/zinc/56/69/25/472566925.db2.gz UUBMSEIKNQBNJE-UHFFFAOYSA-N -1 0 346.305 2.580 20 30 EFEDRM C=CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000102213242 472567963 /nfs/dbraw/zinc/56/79/63/472567963.db2.gz SSSOJJXMIHEWQY-UHFFFAOYSA-N -1 0 337.426 2.849 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)c1ccccc1 ZINC000071874473 472592207 /nfs/dbraw/zinc/59/22/07/472592207.db2.gz RZIOMNAKLOEXMY-UHFFFAOYSA-N -1 0 344.392 2.802 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000130302654 472596215 /nfs/dbraw/zinc/59/62/15/472596215.db2.gz QFYDOVIHQIRTBG-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM COc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1OC ZINC000102862282 472596678 /nfs/dbraw/zinc/59/66/78/472596678.db2.gz YCEKBUMYIHOWEJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130304442 472596874 /nfs/dbraw/zinc/59/68/74/472596874.db2.gz GBWRSEDQZHJUNP-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130304199 472597395 /nfs/dbraw/zinc/59/73/95/472597395.db2.gz NQLCJMMMUIBDPT-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM CCOCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883907 472598378 /nfs/dbraw/zinc/59/83/78/472598378.db2.gz DPBYXTCIDAMMQZ-UHFFFAOYSA-N -1 0 329.271 2.526 20 30 EFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000071883917 472598560 /nfs/dbraw/zinc/59/85/60/472598560.db2.gz XJDCSORQOCPJKG-SSDOTTSWSA-N -1 0 343.298 2.915 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)c(C)n1C(C)C ZINC000071892483 472603472 /nfs/dbraw/zinc/60/34/72/472603472.db2.gz YURSZKIIPDNVNA-AWEZNQCLSA-N -1 0 342.461 2.889 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000059768048 472629427 /nfs/dbraw/zinc/62/94/27/472629427.db2.gz OFQAVFTZLKDVKJ-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000060800308 472678142 /nfs/dbraw/zinc/67/81/42/472678142.db2.gz AQEGRYCYYSCCKR-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000072678757 472697904 /nfs/dbraw/zinc/69/79/04/472697904.db2.gz XKAVMUOIIRZRJP-CYBMUJFWSA-N -1 0 339.355 2.711 20 30 EFEDRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000132152348 472717998 /nfs/dbraw/zinc/71/79/98/472717998.db2.gz LBVSBNJZZQBBBJ-UHFFFAOYSA-N -1 0 334.441 2.721 20 30 EFEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)cc1 ZINC000105388721 472749943 /nfs/dbraw/zinc/74/99/43/472749943.db2.gz GEPSXZDRHNPTFR-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000105389516 472751315 /nfs/dbraw/zinc/75/13/15/472751315.db2.gz PFRXLVGTNWBAGL-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000133262889 472786208 /nfs/dbraw/zinc/78/62/08/472786208.db2.gz KVLXNPWYVQHYPA-UHFFFAOYSA-N -1 0 335.429 2.793 20 30 EFEDRM O=C(Cc1ccc(-n2cccn2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000079064993 472814746 /nfs/dbraw/zinc/81/47/46/472814746.db2.gz RGQDCRIJCLYOMD-UHFFFAOYSA-N -1 0 333.413 2.644 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000063878446 472824778 /nfs/dbraw/zinc/82/47/78/472824778.db2.gz MNUCHXABSWTOMK-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM O=C(C=Cc1ccncc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000079149768 472826634 /nfs/dbraw/zinc/82/66/34/472826634.db2.gz QMLSMXVWNNXNPU-DUXPYHPUSA-N -1 0 337.788 2.630 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000157688101 472847959 /nfs/dbraw/zinc/84/79/59/472847959.db2.gz VMALCXIIUYCEAS-UHFFFAOYSA-N -1 0 348.428 2.924 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000064479009 472857764 /nfs/dbraw/zinc/85/77/64/472857764.db2.gz CPGYMJPUNPTGAF-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(CNC(=O)OCC)cc1 ZINC000048492762 472883085 /nfs/dbraw/zinc/88/30/85/472883085.db2.gz HUFDPXIMMOFAKN-UHFFFAOYSA-N -1 0 342.417 2.768 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)c1 ZINC000106723122 472883566 /nfs/dbraw/zinc/88/35/66/472883566.db2.gz IJBLHAKRKWLCBX-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM Cc1ccc(C)c(OCCC(=O)[N-]S(=O)(=O)c2cccnc2)c1 ZINC000048531689 472885277 /nfs/dbraw/zinc/88/52/77/472885277.db2.gz FDEUHDAFBGXQGB-UHFFFAOYSA-N -1 0 334.397 2.813 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC000121732214 472901821 /nfs/dbraw/zinc/90/18/21/472901821.db2.gz NNAVCLRNJGDCKD-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000158174720 472902340 /nfs/dbraw/zinc/90/23/40/472902340.db2.gz BFFLVWZBRLXLIK-UHFFFAOYSA-N -1 0 349.387 2.928 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000158269877 472916807 /nfs/dbraw/zinc/91/68/07/472916807.db2.gz ZHFMRUCHIHYOGS-MRXNPFEDSA-N -1 0 344.392 2.527 20 30 EFEDRM Cc1ccoc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394698 472947706 /nfs/dbraw/zinc/94/77/06/472947706.db2.gz OOWHSAIBBLOSNK-LBPRGKRZSA-N -1 0 334.339 2.589 20 30 EFEDRM Cc1ccccc1NC(=O)[C@@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000122001665 472960839 /nfs/dbraw/zinc/96/08/39/472960839.db2.gz VIBXZXJXYKMAPU-JTQLQIEISA-N -1 0 338.289 2.694 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)c(C)c1 ZINC000066248088 473063629 /nfs/dbraw/zinc/06/36/29/473063629.db2.gz GERGZBRUWIJTAB-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1 ZINC000066247967 473063813 /nfs/dbraw/zinc/06/38/13/473063813.db2.gz IUWIBKAXFXWMCB-UHFFFAOYSA-N -1 0 332.429 2.859 20 30 EFEDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000075126164 473133505 /nfs/dbraw/zinc/13/35/05/473133505.db2.gz ZRALEIHEZHMKNP-OLZOCXBDSA-N -1 0 333.450 2.580 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000110122164 473144566 /nfs/dbraw/zinc/14/45/66/473144566.db2.gz PZJNYMDELKSSTM-UHFFFAOYSA-N -1 0 330.394 2.811 20 30 EFEDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000093929391 473164236 /nfs/dbraw/zinc/16/42/36/473164236.db2.gz XTRRTBUQFDHQPH-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000160950088 473193400 /nfs/dbraw/zinc/19/34/00/473193400.db2.gz PXENVUIPIKDUGL-UHFFFAOYSA-N -1 0 336.438 2.855 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000137307165 473202443 /nfs/dbraw/zinc/20/24/43/473202443.db2.gz UFGJRCKMBMAXOT-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM COCCOc1cc(OC)ccc1C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000190787792 473393363 /nfs/dbraw/zinc/39/33/63/473393363.db2.gz UQNSTESMFDPWSB-CQSZACIVSA-N -1 0 346.408 2.975 20 30 EFEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000190910813 473426888 /nfs/dbraw/zinc/42/68/88/473426888.db2.gz MJBLZZIPMABEKJ-CYBMUJFWSA-N -1 0 341.415 2.990 20 30 EFEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190937514 473433856 /nfs/dbraw/zinc/43/38/56/473433856.db2.gz DDYDNLKDSDTGKE-MQNRADLISA-N -1 0 349.415 2.998 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000185611440 473468047 /nfs/dbraw/zinc/46/80/47/473468047.db2.gz DVCHVLVMAHTMCD-UHFFFAOYSA-N -1 0 335.410 2.702 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2C#N)ccc1OC(C)C ZINC000191105842 473478855 /nfs/dbraw/zinc/47/88/55/473478855.db2.gz FRVMXMGKPXJHMX-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000191106690 473480526 /nfs/dbraw/zinc/48/05/26/473480526.db2.gz SUGZKSOKUXJSRA-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000114673366 473491106 /nfs/dbraw/zinc/49/11/06/473491106.db2.gz RRUVHUZECJOXOX-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000191172588 473496882 /nfs/dbraw/zinc/49/68/82/473496882.db2.gz ZCNYFULMLDHUIT-WDEREUQCSA-N -1 0 329.805 2.548 20 30 EFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000178593592 473535802 /nfs/dbraw/zinc/53/58/02/473535802.db2.gz QSVRTXUAXPKZDA-UHFFFAOYSA-N -1 0 344.392 2.844 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000178732948 473549787 /nfs/dbraw/zinc/54/97/87/473549787.db2.gz DGWASSHQMIEZFQ-UHFFFAOYSA-N -1 0 346.412 2.513 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2o1 ZINC000172349412 473588468 /nfs/dbraw/zinc/58/84/68/473588468.db2.gz XJYKXHAIHWHSOG-LBPRGKRZSA-N -1 0 329.319 2.899 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc2ccccc2o1 ZINC000179386636 473683168 /nfs/dbraw/zinc/68/31/68/473683168.db2.gz IDBFFBKHSZVKAB-CQSZACIVSA-N -1 0 329.319 2.899 20 30 EFEDRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000172904733 473699720 /nfs/dbraw/zinc/69/97/20/473699720.db2.gz BEABQDFTFSRVEK-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000186703615 473733980 /nfs/dbraw/zinc/73/39/80/473733980.db2.gz YOTAUJGRIXVEKR-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM C=CCC1(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)[O-])CCC1 ZINC000263533708 473769286 /nfs/dbraw/zinc/76/92/86/473769286.db2.gz NPALXWJKHLEAFK-HNNXBMFYSA-N -1 0 331.412 2.801 20 30 EFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000186877353 473773538 /nfs/dbraw/zinc/77/35/38/473773538.db2.gz ZGEZIDQAZBUFBU-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186919324 473781054 /nfs/dbraw/zinc/78/10/54/473781054.db2.gz PEYJDJJKTOGHNC-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3CC#N)cc12 ZINC000193355708 473782426 /nfs/dbraw/zinc/78/24/26/473782426.db2.gz FDWTTYIQBWUSGS-UHFFFAOYSA-N -1 0 342.380 2.652 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nn1C(C)(C)C ZINC000193527455 473792047 /nfs/dbraw/zinc/79/20/47/473792047.db2.gz BWYLKSYOVKXMKX-ZDUSSCGKSA-N -1 0 340.431 2.755 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccc(C#N)cc1 ZINC000193619096 473797569 /nfs/dbraw/zinc/79/75/69/473797569.db2.gz NYNWEZCBPZJFOH-UHFFFAOYSA-N -1 0 339.380 2.520 20 30 EFEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000187098214 473816887 /nfs/dbraw/zinc/81/68/87/473816887.db2.gz QAGJUVDKGAVLSP-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1C1CCCC1 ZINC000194220667 473862059 /nfs/dbraw/zinc/86/20/59/473862059.db2.gz JZGDONWKGKBHSA-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187729094 473911289 /nfs/dbraw/zinc/91/12/89/473911289.db2.gz KHJZMWNPRZEWBL-GFCCVEGCSA-N -1 0 330.413 2.835 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000187760584 473917385 /nfs/dbraw/zinc/91/73/85/473917385.db2.gz MLVDDHDCXLSTPP-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM C=CCCCCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000274681781 473918839 /nfs/dbraw/zinc/91/88/39/473918839.db2.gz JVFVPCJWFHAWLV-UHFFFAOYSA-N -1 0 331.441 2.548 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180758412 473959128 /nfs/dbraw/zinc/95/91/28/473959128.db2.gz LNDXPHHRPCQCLJ-LLVKDONJSA-N -1 0 342.289 2.791 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC=C(C)CC3)cc2[n-]c1=S ZINC000270035868 473962732 /nfs/dbraw/zinc/96/27/32/473962732.db2.gz BPOSIPOXTLXPIH-UHFFFAOYSA-N -1 0 341.436 2.663 20 30 EFEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000288621881 474001784 /nfs/dbraw/zinc/00/17/84/474001784.db2.gz VUYORIGDDGWVJM-UHFFFAOYSA-N -1 0 325.415 2.916 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C#N ZINC000181147346 474008875 /nfs/dbraw/zinc/00/88/75/474008875.db2.gz MPPOPQRUEZZPLH-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#C[C@H](Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1 ZINC000181293386 474024245 /nfs/dbraw/zinc/02/42/45/474024245.db2.gz YNVLLSFPDRESTE-MRVPVSSYSA-N -1 0 342.252 2.525 20 30 EFEDRM C=CCNC(=O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000181638996 474053412 /nfs/dbraw/zinc/05/34/12/474053412.db2.gz HGMSCFSSMIJUOZ-UHFFFAOYSA-N -1 0 344.798 2.745 20 30 EFEDRM C=CCCS(=O)(=O)N(CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000275115859 474074175 /nfs/dbraw/zinc/07/41/75/474074175.db2.gz LJDUYWOWWVKKPY-UHFFFAOYSA-N -1 0 331.821 2.523 20 30 EFEDRM Cc1c(Br)scc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000188416339 474087923 /nfs/dbraw/zinc/08/79/23/474087923.db2.gz AILDEERWSVOVFQ-UHFFFAOYSA-N -1 0 336.174 2.538 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175273935 474176850 /nfs/dbraw/zinc/17/68/50/474176850.db2.gz BYONGWIIHISBAU-UHFFFAOYSA-N -1 0 332.363 2.722 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1C ZINC000270701668 474226709 /nfs/dbraw/zinc/22/67/09/474226709.db2.gz SXFUAUMLBNHRIY-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1 ZINC000182783957 474254200 /nfs/dbraw/zinc/25/42/00/474254200.db2.gz GSCHATKFCQCUFV-UHFFFAOYSA-N -1 0 334.397 2.613 20 30 EFEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC000182838209 474268501 /nfs/dbraw/zinc/26/85/01/474268501.db2.gz GHBZOWWSSPAZFL-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000189191820 474320159 /nfs/dbraw/zinc/32/01/59/474320159.db2.gz PDDRQZSJKCHYAH-UHFFFAOYSA-N -1 0 325.368 2.766 20 30 EFEDRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)cc1 ZINC000271030717 474376697 /nfs/dbraw/zinc/37/66/97/474376697.db2.gz IARIDNGQVSTKLN-UHFFFAOYSA-N -1 0 348.428 2.695 20 30 EFEDRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000189400909 474386680 /nfs/dbraw/zinc/38/66/80/474386680.db2.gz CBWJLTQVZUIYPV-UHFFFAOYSA-N -1 0 328.393 2.856 20 30 EFEDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(C#N)nc3)nc21 ZINC000608928696 480104136 /nfs/dbraw/zinc/10/41/36/480104136.db2.gz KQXGGFXQNVWKDN-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1C ZINC000608927303 480104432 /nfs/dbraw/zinc/10/44/32/480104432.db2.gz GSRNLIPONBQVSQ-UHFFFAOYSA-N -1 0 348.428 2.613 20 30 EFEDRM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1C ZINC000608927411 480104689 /nfs/dbraw/zinc/10/46/89/480104689.db2.gz LRAWWQQQGNYJKZ-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc2ccccc2c1 ZINC000183760420 474423831 /nfs/dbraw/zinc/42/38/31/474423831.db2.gz BAFIIFRDFKBEON-CSKARUKUSA-N -1 0 328.393 2.603 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000176461231 474482398 /nfs/dbraw/zinc/48/23/98/474482398.db2.gz VMHPLRQFNNXFGD-UHFFFAOYSA-N -1 0 337.426 2.831 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000276363116 474512195 /nfs/dbraw/zinc/51/21/95/474512195.db2.gz WCIXPPPWPDTJQK-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM CCOC(=O)N1CC[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000184534079 474540491 /nfs/dbraw/zinc/54/04/91/474540491.db2.gz QZJFMUFFGPDWHC-PFJSLNBISA-N -1 0 341.751 2.604 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC(C)C ZINC000290427507 474571141 /nfs/dbraw/zinc/57/11/41/474571141.db2.gz AGHHUZUJUPQXEO-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C[C@H](Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000184653483 474575964 /nfs/dbraw/zinc/57/59/64/474575964.db2.gz GCLNZMAOKLSIHM-GFCCVEGCSA-N -1 0 344.392 2.622 20 30 EFEDRM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000184659500 474576649 /nfs/dbraw/zinc/57/66/49/474576649.db2.gz UXZSTNSEDJCCKT-GFCCVEGCSA-N -1 0 344.392 2.622 20 30 EFEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000290606909 474579938 /nfs/dbraw/zinc/57/99/38/474579938.db2.gz ZVUOUKGADDKGQE-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000190376836 474591616 /nfs/dbraw/zinc/59/16/16/474591616.db2.gz KULCGYZYMZBHAP-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000291041229 474591888 /nfs/dbraw/zinc/59/18/88/474591888.db2.gz ZZTJKPRGVIUPML-UHFFFAOYSA-N -1 0 345.428 2.535 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC(C)(CC)C3)cc2[n-]c1=S ZINC000291137323 474594994 /nfs/dbraw/zinc/59/49/94/474594994.db2.gz WZZLBFJILLYTLF-UHFFFAOYSA-N -1 0 343.452 2.743 20 30 EFEDRM C=CCN1CC[C@H](N(C)Cc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000291485646 474604858 /nfs/dbraw/zinc/60/48/58/474604858.db2.gz GCOXRRRVJOMJEX-AWEZNQCLSA-N -1 0 328.334 2.630 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1C ZINC000272412934 474611081 /nfs/dbraw/zinc/61/10/81/474611081.db2.gz LANWYJUEPWCRGR-UHFFFAOYSA-N -1 0 338.820 2.846 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000184820564 474614535 /nfs/dbraw/zinc/61/45/35/474614535.db2.gz VYKYBCNULWJHTQ-UHFFFAOYSA-N -1 0 341.392 2.859 20 30 EFEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cn1 ZINC000272519689 474615647 /nfs/dbraw/zinc/61/56/47/474615647.db2.gz XMRFDPFSVFFYCV-GFCCVEGCSA-N -1 0 334.401 2.556 20 30 EFEDRM CC#CC[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000278355980 474620125 /nfs/dbraw/zinc/62/01/25/474620125.db2.gz XVTFQZROTHZJGJ-QGZVFWFLSA-N -1 0 328.412 2.517 20 30 EFEDRM N#CCN1CCC[C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000267496956 474672045 /nfs/dbraw/zinc/67/20/45/474672045.db2.gz HPZSGEBMOZHODE-SNVBAGLBSA-N -1 0 342.226 2.664 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1OCC(F)F ZINC000340834533 474700752 /nfs/dbraw/zinc/70/07/52/474700752.db2.gz WXFRKTUHEZYYMO-UHFFFAOYSA-N -1 0 342.323 2.904 20 30 EFEDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc12 ZINC000338884651 474701752 /nfs/dbraw/zinc/70/17/52/474701752.db2.gz YETZUIJDPXEMEO-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM Cc1nn(C)c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc12 ZINC000340843247 474710696 /nfs/dbraw/zinc/71/06/96/474710696.db2.gz BHAKDXLAIYYDNG-LBPRGKRZSA-N -1 0 331.335 2.908 20 30 EFEDRM C=CCCS(=O)(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccc(Cl)cc1 ZINC000291854169 474719742 /nfs/dbraw/zinc/71/97/42/474719742.db2.gz JBJUKIRIYLJGIW-KBPBESRZSA-N -1 0 343.832 2.836 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@H](CCSc1ccccc1)C(=O)[O-] ZINC000291870062 474726416 /nfs/dbraw/zinc/72/64/16/474726416.db2.gz LITQVVHUIXJJQJ-CQSZACIVSA-N -1 0 343.470 2.508 20 30 EFEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000267971664 474730848 /nfs/dbraw/zinc/73/08/48/474730848.db2.gz BSBVRNDOUXHLCY-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000340881830 474744976 /nfs/dbraw/zinc/74/49/76/474744976.db2.gz MEGTWDYDZJEIOF-LURJTMIESA-N -1 0 325.173 2.754 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc4nsnc4c3)nc21 ZINC000344625182 474773468 /nfs/dbraw/zinc/77/34/68/474773468.db2.gz LQQGAGGULWPNNH-JTQLQIEISA-N -1 0 334.364 2.761 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC#Cc2ccccc2)n1 ZINC000344880435 474804749 /nfs/dbraw/zinc/80/47/49/474804749.db2.gz AFHLMUNFXDGMSE-UHFFFAOYSA-N -1 0 349.365 2.807 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cnn1-c1ccccc1 ZINC000340971343 474833928 /nfs/dbraw/zinc/83/39/28/474833928.db2.gz OAWUXGQVELHMPH-UHFFFAOYSA-N -1 0 342.380 2.700 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000314166388 474860669 /nfs/dbraw/zinc/86/06/69/474860669.db2.gz KNOSSMQPGAGPJF-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM CC[C@@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285024052 474867373 /nfs/dbraw/zinc/86/73/73/474867373.db2.gz HRAVYIKWBRDEQG-QMMMGPOBSA-N -1 0 326.727 2.939 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cn1 ZINC000273378176 474868491 /nfs/dbraw/zinc/86/84/91/474868491.db2.gz FJORDIKKFZCVGF-GFCCVEGCSA-N -1 0 347.396 2.572 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1Br)C(=O)[O-] ZINC000315927591 474874603 /nfs/dbraw/zinc/87/46/03/474874603.db2.gz QJYFCCNEQPLYQL-LBPRGKRZSA-N -1 0 341.205 2.668 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1C(F)(F)F ZINC000337312895 474887005 /nfs/dbraw/zinc/88/70/05/474887005.db2.gz XEYOVACULJMQGH-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)nc(OC)c2)n1 ZINC000337338713 474912680 /nfs/dbraw/zinc/91/26/80/474912680.db2.gz FXQQMNIPUWDFEZ-NSHDSACASA-N -1 0 345.380 2.522 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C#N ZINC000321850730 474932979 /nfs/dbraw/zinc/93/29/79/474932979.db2.gz KBOXYDDJUFXHKG-UHFFFAOYSA-N -1 0 345.302 2.983 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)Oc2ccccc2Cl)[n-]1 ZINC000345157684 474945833 /nfs/dbraw/zinc/94/58/33/474945833.db2.gz GQYBHPGTNDBPSY-LLVKDONJSA-N -1 0 332.791 2.817 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000324174296 474961737 /nfs/dbraw/zinc/96/17/37/474961737.db2.gz LECCUCJDZJOMRT-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1C#N ZINC000324165130 474962583 /nfs/dbraw/zinc/96/25/83/474962583.db2.gz RXXRTRZMVNWOKI-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM N#CCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCC1 ZINC000268423542 474971426 /nfs/dbraw/zinc/97/14/26/474971426.db2.gz LUFPJDVEJOAJOE-UHFFFAOYSA-N -1 0 328.347 2.625 20 30 EFEDRM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C ZINC000341107345 474981080 /nfs/dbraw/zinc/98/10/80/474981080.db2.gz ZFEWIKZHKAWPBR-UHFFFAOYSA-N -1 0 326.761 2.923 20 30 EFEDRM C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CC1 ZINC000279662631 474985357 /nfs/dbraw/zinc/98/53/57/474985357.db2.gz FRURQFOBTXYHRE-UHFFFAOYSA-N -1 0 349.312 2.835 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OCC ZINC000326138356 475000816 /nfs/dbraw/zinc/00/08/16/475000816.db2.gz DGVLURYPEAMPMG-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM C=CCCCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000326677645 475008533 /nfs/dbraw/zinc/00/85/33/475008533.db2.gz OQRPJDBHZLYTGH-INIZCTEOSA-N -1 0 329.400 2.819 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H]2c2ccccc2)cc1C#N ZINC000339179113 475010903 /nfs/dbraw/zinc/01/09/03/475010903.db2.gz JOBUSJZHVBDUIW-CQSZACIVSA-N -1 0 325.393 2.968 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326970111 475013509 /nfs/dbraw/zinc/01/35/09/475013509.db2.gz PUQQGVVLSJTWJI-CYBMUJFWSA-N -1 0 338.363 2.981 20 30 EFEDRM O=C([N-][C@H](CO)c1ccccc1OC(F)(F)F)C(F)(F)C(F)F ZINC000280230716 475016911 /nfs/dbraw/zinc/01/69/11/475016911.db2.gz OHSDXLISANBPEK-SSDOTTSWSA-N -1 0 349.202 2.635 20 30 EFEDRM C=C[C@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000339200494 475032353 /nfs/dbraw/zinc/03/23/53/475032353.db2.gz NQXORCNCWUNXMI-HIFRSBDPSA-N -1 0 327.384 2.841 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000339201514 475035190 /nfs/dbraw/zinc/03/51/90/475035190.db2.gz NQXORCNCWUNXMI-ZFWWWQNUSA-N -1 0 327.384 2.841 20 30 EFEDRM CC1(C#N)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000280582180 475035631 /nfs/dbraw/zinc/03/56/31/475035631.db2.gz WXPYJWLUWNGZIN-UHFFFAOYSA-N -1 0 329.581 2.794 20 30 EFEDRM C=CCN=c1[n-]nc(Sc2nc(C(F)(F)F)ns2)s1 ZINC000341338260 475042566 /nfs/dbraw/zinc/04/25/66/475042566.db2.gz BGVLMHHEYJGDKG-UHFFFAOYSA-N -1 0 325.366 2.579 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NCCCCC(=O)[O-])cc1OC ZINC000268907261 475063520 /nfs/dbraw/zinc/06/35/20/475063520.db2.gz OIANFYSYHWCOGP-CSKARUKUSA-N -1 0 333.384 2.644 20 30 EFEDRM COCCCCc1cccnc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000292535646 475076518 /nfs/dbraw/zinc/07/65/18/475076518.db2.gz MDEXBBBMLQPQLW-UHFFFAOYSA-N -1 0 345.424 2.723 20 30 EFEDRM CC[C@H]1C[C@H](C([O-])=Nc2cncc(-c3nncn3C)c2)CC(=O)N1 ZINC000329590702 475093212 /nfs/dbraw/zinc/09/32/12/475093212.db2.gz NPLBNPNGBBBDKV-JQWIXIFHSA-N -1 0 328.376 2.610 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)nn1CCC#N ZINC000295183943 475110720 /nfs/dbraw/zinc/11/07/20/475110720.db2.gz JJJYCVGXRWIZLM-UHFFFAOYSA-N -1 0 330.413 2.783 20 30 EFEDRM Cn1c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc2[nH]c1=O ZINC000337545631 475112534 /nfs/dbraw/zinc/11/25/34/475112534.db2.gz OAOFICYBPJFBSD-NSHDSACASA-N -1 0 332.319 2.910 20 30 EFEDRM Cc1nc(=NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)s[n-]1 ZINC000329788086 475132482 /nfs/dbraw/zinc/13/24/82/475132482.db2.gz ZFTYIGWUWJBPPU-UHFFFAOYSA-N -1 0 348.472 2.770 20 30 EFEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cs1 ZINC000345383135 475145464 /nfs/dbraw/zinc/14/54/64/475145464.db2.gz UJULUTYYTGLUNL-JTQLQIEISA-N -1 0 339.380 2.776 20 30 EFEDRM Cc1cccc(C)c1CS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000295966626 475145808 /nfs/dbraw/zinc/14/58/08/475145808.db2.gz NCVXYSPOYHINIL-UHFFFAOYSA-N -1 0 330.413 2.718 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(-c4ccccc4)nn3)nc21 ZINC000345384306 475145876 /nfs/dbraw/zinc/14/58/76/475145876.db2.gz UXJDZXMSQNQFLQ-AWEZNQCLSA-N -1 0 342.362 2.942 20 30 EFEDRM C=CCOCCCC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000269055430 475150224 /nfs/dbraw/zinc/15/02/24/475150224.db2.gz WZMRZDPCKRUCLN-UHFFFAOYSA-N -1 0 335.400 2.529 20 30 EFEDRM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1csc(NC2CC2)n1 ZINC000330211796 475213195 /nfs/dbraw/zinc/21/31/95/475213195.db2.gz DHGIUOWGEYOKFT-NSHDSACASA-N -1 0 346.460 2.694 20 30 EFEDRM C=CCc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000262284800 475214586 /nfs/dbraw/zinc/21/45/86/475214586.db2.gz ZGGKGUSVIAAALJ-AWEZNQCLSA-N -1 0 333.384 2.512 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000262442360 475242944 /nfs/dbraw/zinc/24/29/44/475242944.db2.gz NZZQQQWEFBMVMI-AWEZNQCLSA-N -1 0 345.395 2.587 20 30 EFEDRM C=CCc1cc(C(=O)N(CCC(=O)[O-])C(C)C)cc(OC)c1OC ZINC000262453842 475243995 /nfs/dbraw/zinc/24/39/95/475243995.db2.gz RJCGFVMTYRCJNN-UHFFFAOYSA-N -1 0 335.400 2.758 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C#N)C2CCCCC2)cc1C#N ZINC000330752871 475274841 /nfs/dbraw/zinc/27/48/41/475274841.db2.gz VWYQDUSCULHVQN-CYBMUJFWSA-N -1 0 330.413 2.583 20 30 EFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1C ZINC000345573120 475275681 /nfs/dbraw/zinc/27/56/81/475275681.db2.gz USNTZXWRNVLFJR-NSHDSACASA-N -1 0 331.397 2.882 20 30 EFEDRM CC(C)(C)c1nc(=NC(=O)NC[C@@H](O)C2CCCCC2)s[n-]1 ZINC000330800456 475277499 /nfs/dbraw/zinc/27/74/99/475277499.db2.gz ISRWDNCRZRTOMT-LLVKDONJSA-N -1 0 326.466 2.525 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)NCC2CCC(C#N)CC2)s1 ZINC000331276961 475331763 /nfs/dbraw/zinc/33/17/63/475331763.db2.gz ROSFUHXPRJLRIH-UHFFFAOYSA-N -1 0 325.463 2.728 20 30 EFEDRM Cc1sc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1[N+](=O)[O-] ZINC000337799250 475332376 /nfs/dbraw/zinc/33/23/76/475332376.db2.gz FWVQKDQSPXLSIE-UHFFFAOYSA-N -1 0 337.382 2.832 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000337773383 475311446 /nfs/dbraw/zinc/31/14/46/475311446.db2.gz PCSWVICFRYICQP-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337775822 475313546 /nfs/dbraw/zinc/31/35/46/475313546.db2.gz QCQDWUADKDVWQK-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)NC[C@](C)(O)C2CCCCC2)s1 ZINC000331171581 475318197 /nfs/dbraw/zinc/31/81/97/475318197.db2.gz OHCNJLFUYRYWCJ-HNNXBMFYSA-N -1 0 326.466 2.570 20 30 EFEDRM CC(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000331189211 475320270 /nfs/dbraw/zinc/32/02/70/475320270.db2.gz OUXOVKONEAMRLF-QWRGUYRKSA-N -1 0 326.466 2.645 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@H](C)C(=O)c2c[nH]c3ncccc23)s1 ZINC000347869436 475350306 /nfs/dbraw/zinc/35/03/06/475350306.db2.gz XIKRIPKJIZKCFY-SECBINFHSA-N -1 0 345.453 2.798 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H](C)C(=O)c2c[nH]c3ncccc23)s1 ZINC000347869438 475350581 /nfs/dbraw/zinc/35/05/81/475350581.db2.gz XIKRIPKJIZKCFY-VIFPVBQESA-N -1 0 345.453 2.798 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000337860720 475384343 /nfs/dbraw/zinc/38/43/43/475384343.db2.gz BBKMDTISDCEDCA-UHFFFAOYSA-N -1 0 338.392 2.849 20 30 EFEDRM Cc1cc([C@H](C#N)C(=O)c2ccc(OCC(F)F)nc2)nc(C)n1 ZINC000341977815 475469295 /nfs/dbraw/zinc/46/92/95/475469295.db2.gz NAAOXXRCLQKXSG-LBPRGKRZSA-N -1 0 332.310 2.622 20 30 EFEDRM Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000352698716 475541753 /nfs/dbraw/zinc/54/17/53/475541753.db2.gz XABHTEQVBLKYOI-CYBMUJFWSA-N -1 0 348.362 2.723 20 30 EFEDRM CC1(C#N)CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000346221002 475572252 /nfs/dbraw/zinc/57/22/52/475572252.db2.gz MCORFRJKRJXKHZ-UHFFFAOYSA-N -1 0 333.804 2.658 20 30 EFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1 ZINC000346245200 475575471 /nfs/dbraw/zinc/57/54/71/475575471.db2.gz RQDBMJRJQKYBRW-ZDUSSCGKSA-N -1 0 346.346 2.692 20 30 EFEDRM CC1(C#N)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000346420375 475600223 /nfs/dbraw/zinc/60/02/23/475600223.db2.gz RIFRRPLTCNKKCC-UHFFFAOYSA-N -1 0 333.804 2.658 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000361650207 475630213 /nfs/dbraw/zinc/63/02/13/475630213.db2.gz MTEPSASOFNTVMC-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cc1C#N ZINC000332422791 475632790 /nfs/dbraw/zinc/63/27/90/475632790.db2.gz GMMURBKRPMCJEN-QWHCGFSZSA-N -1 0 349.456 2.703 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)cc1C#N ZINC000332422793 475632865 /nfs/dbraw/zinc/63/28/65/475632865.db2.gz GMMURBKRPMCJEN-STQMWFEESA-N -1 0 349.456 2.703 20 30 EFEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000340043267 475711654 /nfs/dbraw/zinc/71/16/54/475711654.db2.gz TUXKJQALFIQQFG-LBPRGKRZSA-N -1 0 333.417 2.558 20 30 EFEDRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000355258639 475785294 /nfs/dbraw/zinc/78/52/94/475785294.db2.gz ZPVXHYNHYHVYLV-UHFFFAOYSA-N -1 0 346.746 2.982 20 30 EFEDRM CC[C@H](C(=O)N=c1[n-]n(C(C)C)cc1C#N)c1ccc(OC)cc1 ZINC000361914823 475864622 /nfs/dbraw/zinc/86/46/22/475864622.db2.gz RKRUMJZSGRURGQ-INIZCTEOSA-N -1 0 326.400 2.898 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)nn1CCC#N ZINC000348885184 475878450 /nfs/dbraw/zinc/87/84/50/475878450.db2.gz RHXYUMDLYLOVDT-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)nc1C ZINC000348910051 475881019 /nfs/dbraw/zinc/88/10/19/475881019.db2.gz UVSUOWRENNCOAY-UHFFFAOYSA-N -1 0 348.428 2.695 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)nn1CCC#N ZINC000348908887 475882315 /nfs/dbraw/zinc/88/23/15/475882315.db2.gz PRCUUCOPAFDNPZ-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM COc1cc2c(O)c(C(=O)NC3(C#N)CCCCC3)cnc2cc1F ZINC000343281092 475915182 /nfs/dbraw/zinc/91/51/82/475915182.db2.gz YTPAICNYLSKKKS-UHFFFAOYSA-N -1 0 343.358 2.632 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)cc(C)[nH]c2=O)n1 ZINC000349298141 475941239 /nfs/dbraw/zinc/94/12/39/475941239.db2.gz OJHAFKLTNFZBNT-SNVBAGLBSA-N -1 0 345.380 2.527 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncccc2CC)n1 ZINC000346928152 475969647 /nfs/dbraw/zinc/96/96/47/475969647.db2.gz XYJNZCMEFMSLLG-NSHDSACASA-N -1 0 329.381 2.767 20 30 EFEDRM C=CCOCCSc1n[n-]c(=NCc2ccc(OC)cc2)s1 ZINC000338535794 475991828 /nfs/dbraw/zinc/99/18/28/475991828.db2.gz JWIKLAKITIYPSE-UHFFFAOYSA-N -1 0 337.470 2.875 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000362130627 476019087 /nfs/dbraw/zinc/01/90/87/476019087.db2.gz RGHSCMMMFLWRDM-UHFFFAOYSA-N -1 0 331.397 2.886 20 30 EFEDRM C=C(CNC(=O)N=c1nc2cc(Cl)ccn2[n-]1)c1ccccc1 ZINC000353507892 476031022 /nfs/dbraw/zinc/03/10/22/476031022.db2.gz DEXULNFCDHRDEJ-UHFFFAOYSA-N -1 0 327.775 2.640 20 30 EFEDRM Cc1cccc(NS(=O)(=O)c2ccccc2CC#N)c1C(=O)[O-] ZINC000355843807 476066648 /nfs/dbraw/zinc/06/66/48/476066648.db2.gz MYRGGPJFYQDSDE-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1C#N ZINC000343841496 476122523 /nfs/dbraw/zinc/12/25/23/476122523.db2.gz OTHHRQMLYJXWOG-UHFFFAOYSA-N -1 0 328.393 2.993 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2C)n1 ZINC000356862471 476141612 /nfs/dbraw/zinc/14/16/12/476141612.db2.gz FDOFTWJLHAVBIU-LLVKDONJSA-N -1 0 346.412 2.896 20 30 EFEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cncc(C#N)c3)cc2)o1 ZINC000357015062 476156039 /nfs/dbraw/zinc/15/60/39/476156039.db2.gz CPEPOKBZDLQDJL-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000357024130 476165824 /nfs/dbraw/zinc/16/58/24/476165824.db2.gz YQNNVJZKTMANDK-UHFFFAOYSA-N -1 0 340.364 2.773 20 30 EFEDRM COc1cc(O)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000359077677 476170366 /nfs/dbraw/zinc/17/03/66/476170366.db2.gz GOMORDXMACOIRH-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000359152448 476210198 /nfs/dbraw/zinc/21/01/98/476210198.db2.gz WMJXELOQDZEXMR-UHFFFAOYSA-N -1 0 332.429 2.895 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000350638570 476277273 /nfs/dbraw/zinc/27/72/73/476277273.db2.gz MTEQLTAUTVLVQM-ZDUSSCGKSA-N -1 0 346.456 2.930 20 30 EFEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357178406 476278141 /nfs/dbraw/zinc/27/81/41/476278141.db2.gz WZNGATCHENTFGL-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000357207696 476290685 /nfs/dbraw/zinc/29/06/85/476290685.db2.gz FWJWONZKHBTPBE-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COCc1ncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000353896807 476317070 /nfs/dbraw/zinc/31/70/70/476317070.db2.gz HUHJYCXBBDPMIV-SNVBAGLBSA-N -1 0 326.381 2.964 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(cc4c2CCC4)CCC3)o1 ZINC000357334214 476335795 /nfs/dbraw/zinc/33/57/95/476335795.db2.gz VBEIJFXFAGUKFP-UHFFFAOYSA-N -1 0 328.393 2.929 20 30 EFEDRM C[C@@H](N=c1ccc(C(N)=O)n[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360682582 476339716 /nfs/dbraw/zinc/33/97/16/476339716.db2.gz VNWNBMHEPPOJPR-CYBMUJFWSA-N -1 0 343.390 2.709 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1C ZINC000362655269 476342237 /nfs/dbraw/zinc/34/22/37/476342237.db2.gz HZFPMWAECHJPGJ-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1C#N ZINC000357372520 476348671 /nfs/dbraw/zinc/34/86/71/476348671.db2.gz QBAPTOLJKZUCAQ-UHFFFAOYSA-N -1 0 344.318 2.718 20 30 EFEDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000357379668 476351349 /nfs/dbraw/zinc/35/13/49/476351349.db2.gz BCOHVUQTGMLBJS-UHFFFAOYSA-N -1 0 337.788 2.554 20 30 EFEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000362689906 476351911 /nfs/dbraw/zinc/35/19/11/476351911.db2.gz DMDOVARCVBZFSF-SCLBCKFNSA-N -1 0 338.363 2.515 20 30 EFEDRM Cc1c2nc([N-]S(=O)(=O)c3cncc(C#N)c3)sc2ccc1F ZINC000357385271 476353050 /nfs/dbraw/zinc/35/30/50/476353050.db2.gz JAAUYCQUCJMWOV-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000357393049 476355817 /nfs/dbraw/zinc/35/58/17/476355817.db2.gz SRNYYVTZBMRBTP-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c1 ZINC000357395008 476357853 /nfs/dbraw/zinc/35/78/53/476357853.db2.gz WUBJFXLYPAVCFN-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c1 ZINC000357396663 476359063 /nfs/dbraw/zinc/35/90/63/476359063.db2.gz ZSBKBJHUEGLQMA-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cn1 ZINC000362722533 476369180 /nfs/dbraw/zinc/36/91/80/476369180.db2.gz KOVBOPKVNUBNBP-UHFFFAOYSA-N -1 0 341.392 2.737 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)cc1 ZINC000360803195 476397752 /nfs/dbraw/zinc/39/77/52/476397752.db2.gz RIFRNCKJMDCIGU-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C#N)cc1N(C)C ZINC000357460182 476398541 /nfs/dbraw/zinc/39/85/41/476398541.db2.gz AJHXVPYKTBDUHZ-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)c(C#N)cc1N(C)C ZINC000357477160 476406613 /nfs/dbraw/zinc/40/66/13/476406613.db2.gz VCDOOMUPBRYIQR-UHFFFAOYSA-N -1 0 333.388 2.873 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cn1 ZINC000357530953 476435609 /nfs/dbraw/zinc/43/56/09/476435609.db2.gz ZMIDBEFNCBXCDM-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2s1 ZINC000357539338 476440232 /nfs/dbraw/zinc/44/02/32/476440232.db2.gz PIVLEPRZXMGJNH-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccncc2)cs1 ZINC000354148116 476461855 /nfs/dbraw/zinc/46/18/55/476461855.db2.gz HNTPWGAVEJBAOG-SNVBAGLBSA-N -1 0 339.336 2.931 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000351639228 476486384 /nfs/dbraw/zinc/48/63/84/476486384.db2.gz QBQFTHBTENNCAB-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCc1cccc(C)c1N=c1[n-]nc(SC[C@@H](O)CC#N)s1 ZINC000352153439 476526507 /nfs/dbraw/zinc/52/65/07/476526507.db2.gz MMYWPSBGVOZSFD-LBPRGKRZSA-N -1 0 334.470 2.941 20 30 EFEDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000352238580 476576216 /nfs/dbraw/zinc/57/62/16/476576216.db2.gz VEKUPILDTHIZNS-NSHDSACASA-N -1 0 331.335 2.712 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(F)c1 ZINC000357758945 476582799 /nfs/dbraw/zinc/58/27/99/476582799.db2.gz DPXZGSGLTLVLOP-CYBMUJFWSA-N -1 0 327.315 2.509 20 30 EFEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000354367301 476615746 /nfs/dbraw/zinc/61/57/46/476615746.db2.gz SUNUCYUAAMGTOK-LBPRGKRZSA-N -1 0 337.360 2.992 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)c2ccncn2)ccc1NC(C)=O ZINC000354458291 476673384 /nfs/dbraw/zinc/67/33/84/476673384.db2.gz CVALJZMJQZZHRG-LBPRGKRZSA-N -1 0 326.381 2.647 20 30 EFEDRM COCCn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000430586708 476871282 /nfs/dbraw/zinc/87/12/82/476871282.db2.gz XDDWDIFSPYMSDV-LLVKDONJSA-N -1 0 332.429 2.774 20 30 EFEDRM C[C@H](Oc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000375581727 476902703 /nfs/dbraw/zinc/90/27/03/476902703.db2.gz KRZHZKAWTDDXDR-MDKXCRPYSA-N -1 0 326.304 2.860 20 30 EFEDRM CC[C@H](C(=O)N=c1[n-]n(C)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000415254606 476910579 /nfs/dbraw/zinc/91/05/79/476910579.db2.gz LBCFOOMJFAZESA-ZDUSSCGKSA-N -1 0 336.317 2.865 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1nccs1 ZINC000446955274 476936935 /nfs/dbraw/zinc/93/69/35/476936935.db2.gz ZANMVULXZVXWKH-UHFFFAOYSA-N -1 0 345.409 2.514 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000408513707 476956863 /nfs/dbraw/zinc/95/68/63/476956863.db2.gz NCGPYJPEVPSOCM-MOPGFXCFSA-N -1 0 348.402 2.829 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000447156138 476959358 /nfs/dbraw/zinc/95/93/58/476959358.db2.gz IMIGCBQAOLKMHA-NSHDSACASA-N -1 0 329.805 2.767 20 30 EFEDRM C=CCC1(C(=O)N=c2ccc(-c3ccnn3C)n[n-]2)CCCCC1 ZINC000415980852 476978143 /nfs/dbraw/zinc/97/81/43/476978143.db2.gz ANTXFELLMSRBRG-UHFFFAOYSA-N -1 0 325.416 2.764 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)cc(OC)c1C ZINC000431141240 476984488 /nfs/dbraw/zinc/98/44/88/476984488.db2.gz VMQLMYAGZQZZEI-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cs1 ZINC000431188003 476991694 /nfs/dbraw/zinc/99/16/94/476991694.db2.gz UANQIJJUTMNPGZ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431184519 476992047 /nfs/dbraw/zinc/99/20/47/476992047.db2.gz UCLQZQXXRUJOJH-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1 ZINC000431199921 476993354 /nfs/dbraw/zinc/99/33/54/476993354.db2.gz VEMXUZNKHKHDEV-UHFFFAOYSA-N -1 0 344.436 2.934 20 30 EFEDRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc21 ZINC000447787096 477055604 /nfs/dbraw/zinc/05/56/04/477055604.db2.gz LXNRWTJYRAOYHO-MRXNPFEDSA-N -1 0 344.392 2.829 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431616071 477062253 /nfs/dbraw/zinc/06/22/53/477062253.db2.gz CELPATSZCVKFIZ-OAHLLOKOSA-N -1 0 336.363 2.984 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c1C#N ZINC000431677213 477073800 /nfs/dbraw/zinc/07/38/00/477073800.db2.gz CJYSRJNFAOKVAJ-NWDGAFQWSA-N -1 0 345.200 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2c(C)onc2-c2ccccc2Cl)c1C#N ZINC000431682758 477074198 /nfs/dbraw/zinc/07/41/98/477074198.db2.gz VJEZVDDFCKVVOG-UHFFFAOYSA-N -1 0 341.758 2.881 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C#N ZINC000431696760 477077178 /nfs/dbraw/zinc/07/71/78/477077178.db2.gz ZZZOLMVIBXXEIX-MRVPVSSYSA-N -1 0 339.182 2.725 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(Cl)ccc2Br)c1C#N ZINC000431700763 477078393 /nfs/dbraw/zinc/07/83/93/477078393.db2.gz XGZLYMSXLHPALK-UHFFFAOYSA-N -1 0 339.580 2.680 20 30 EFEDRM C=CCN=c1[n-]nc(SCC[C@@H](C(=O)OC)c2ccccc2)s1 ZINC000424090950 477287928 /nfs/dbraw/zinc/28/79/28/477287928.db2.gz YNYMLNLECMEXJM-CYBMUJFWSA-N -1 0 349.481 2.997 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000416776954 477307204 /nfs/dbraw/zinc/30/72/04/477307204.db2.gz NBLXVYLHGVKBGY-LLVKDONJSA-N -1 0 349.366 2.968 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000433150756 477312038 /nfs/dbraw/zinc/31/20/38/477312038.db2.gz XLXBNOLSDSKHPO-UHFFFAOYSA-N -1 0 347.419 2.703 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000435746013 477364176 /nfs/dbraw/zinc/36/41/76/477364176.db2.gz SJVNCFGYODVDJP-UONOGXRCSA-N -1 0 344.440 2.730 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000416933063 477376370 /nfs/dbraw/zinc/37/63/70/477376370.db2.gz ADSSGMYCGJXFIN-CZUORRHYSA-N -1 0 349.456 2.745 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1CC)C(=O)[O-] ZINC000448996239 477377708 /nfs/dbraw/zinc/37/77/08/477377708.db2.gz RVKZZJLNBSDHMR-HNNXBMFYSA-N -1 0 327.384 2.584 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(Br)c1O ZINC000416945883 477381410 /nfs/dbraw/zinc/38/14/10/477381410.db2.gz FIQVNOLHJGOMJL-MRVPVSSYSA-N -1 0 333.207 2.507 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000416949576 477383088 /nfs/dbraw/zinc/38/30/88/477383088.db2.gz HIWBHWSJYGHEHR-CYBMUJFWSA-N -1 0 346.412 2.966 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(OC)cc2)nc1 ZINC000416951419 477383983 /nfs/dbraw/zinc/38/39/83/477383983.db2.gz IKMMPJFJEZVODO-OAHLLOKOSA-N -1 0 347.396 2.926 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416964069 477389990 /nfs/dbraw/zinc/38/99/90/477389990.db2.gz SATQNDAFFUVJTN-NSHDSACASA-N -1 0 325.390 2.936 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000416965802 477391486 /nfs/dbraw/zinc/39/14/86/477391486.db2.gz XTTXCVAQJZUKGZ-SSDOTTSWSA-N -1 0 339.161 2.771 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412343987 477418045 /nfs/dbraw/zinc/41/80/45/477418045.db2.gz WTICTICJBKNBKL-UHFFFAOYSA-N -1 0 349.438 2.819 20 30 EFEDRM C=CCCCCCN(C)C(=O)N=c1ccc(-c2ccnn2C)n[n-]1 ZINC000417334554 477452153 /nfs/dbraw/zinc/45/21/53/477452153.db2.gz FNXMCKFZPMRTAI-UHFFFAOYSA-N -1 0 328.420 2.509 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000436605426 477530615 /nfs/dbraw/zinc/53/06/15/477530615.db2.gz KQWNADMCFPMIQU-UHFFFAOYSA-N -1 0 344.392 2.966 20 30 EFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000436612795 477532861 /nfs/dbraw/zinc/53/28/61/477532861.db2.gz YUYLSRVNGFHEAK-UHFFFAOYSA-N -1 0 344.392 2.966 20 30 EFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436732983 477574745 /nfs/dbraw/zinc/57/47/45/477574745.db2.gz UEPVKESQAKPDAA-OAHLLOKOSA-N -1 0 325.324 2.857 20 30 EFEDRM CCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436752966 477581625 /nfs/dbraw/zinc/58/16/25/477581625.db2.gz UHMXPZBYZCFUMC-UHFFFAOYSA-N -1 0 326.312 2.856 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2noc(-c3ccccc3O)n2)s1 ZINC000436773704 477587517 /nfs/dbraw/zinc/58/75/17/477587517.db2.gz KIHYVLMNKNXJPY-UHFFFAOYSA-N -1 0 347.425 2.606 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000436966144 477652328 /nfs/dbraw/zinc/65/23/28/477652328.db2.gz MTTKXANKXONFHM-CYBMUJFWSA-N -1 0 331.715 2.948 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436973050 477653554 /nfs/dbraw/zinc/65/35/54/477653554.db2.gz QOERALUDIFAWBI-UHFFFAOYSA-N -1 0 328.324 2.795 20 30 EFEDRM COCc1nsc(=NC2CCC(Oc3ccccc3C#N)CC2)[n-]1 ZINC000426879222 477754736 /nfs/dbraw/zinc/75/47/36/477754736.db2.gz PTSKBYRKOFPVPL-UHFFFAOYSA-N -1 0 344.440 2.780 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n(C)n1 ZINC000450973766 477780489 /nfs/dbraw/zinc/78/04/89/477780489.db2.gz UFCOOKRFIHAVRU-UHFFFAOYSA-N -1 0 338.820 2.503 20 30 EFEDRM C=CCCCS(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451062495 477807141 /nfs/dbraw/zinc/80/71/41/477807141.db2.gz DDCAHTXBJQLNQM-SECBINFHSA-N -1 0 328.381 2.941 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000438234700 477812017 /nfs/dbraw/zinc/81/20/17/477812017.db2.gz MBHIKLFFTQFHOV-UHFFFAOYSA-N -1 0 348.359 2.769 20 30 EFEDRM N#CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000557738267 477818329 /nfs/dbraw/zinc/81/83/29/477818329.db2.gz DEKHPWJIXNNSSN-UHFFFAOYSA-N -1 0 329.287 3.000 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C/C=C/C)C(=O)[O-])cc1OC ZINC000493792263 477825687 /nfs/dbraw/zinc/82/56/87/477825687.db2.gz PQBAUBFWLFFEBO-PPUCQBCPSA-N -1 0 345.395 2.809 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cccc(OCC(C)C)c1)C(=O)[O-] ZINC000515786939 477861021 /nfs/dbraw/zinc/86/10/21/477861021.db2.gz KHNXCLKLJOCOMO-MRXNPFEDSA-N -1 0 334.416 2.940 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]c3ccccc23)n[n-]c1=Nc1cnn(C)c1 ZINC000460582982 477862760 /nfs/dbraw/zinc/86/27/60/477862760.db2.gz JREFUORHLUKVCA-UHFFFAOYSA-N -1 0 333.399 2.902 20 30 EFEDRM CC1(C)C[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c2ccccc2O1 ZINC000515797460 477863516 /nfs/dbraw/zinc/86/35/16/477863516.db2.gz IWNTVPMMQJQSNW-CYBMUJFWSA-N -1 0 336.395 2.864 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c(Cl)c1 ZINC000515909520 477872362 /nfs/dbraw/zinc/87/23/62/477872362.db2.gz XDUGJBHJPRSWDO-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000493907274 477872642 /nfs/dbraw/zinc/87/26/42/477872642.db2.gz HCSNSXUDXGTTRM-UHFFFAOYSA-N -1 0 345.380 2.846 20 30 EFEDRM COCc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1C#N ZINC000530145033 477877947 /nfs/dbraw/zinc/87/79/47/477877947.db2.gz NKKBYODGOLMSME-UHFFFAOYSA-N -1 0 337.426 2.579 20 30 EFEDRM CC(C)(CC#N)CNC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000459393240 477881610 /nfs/dbraw/zinc/88/16/10/477881610.db2.gz FHUSDJBTYHKIMM-UHFFFAOYSA-N -1 0 347.419 2.751 20 30 EFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000531211859 477898608 /nfs/dbraw/zinc/89/86/08/477898608.db2.gz JUCKDXLPBQZNSC-UHFFFAOYSA-N -1 0 340.405 2.548 20 30 EFEDRM Cc1cc(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[n-]nc1C ZINC000531813697 477911929 /nfs/dbraw/zinc/91/19/29/477911929.db2.gz QQOSWXDPYGDNES-IRXDYDNUSA-N -1 0 335.411 2.819 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(F)c1 ZINC000532065273 477917218 /nfs/dbraw/zinc/91/72/18/477917218.db2.gz JOBLPQGIFYSOKB-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000532163024 477920165 /nfs/dbraw/zinc/92/01/65/477920165.db2.gz ZGJSXMAOBGWRKQ-UHFFFAOYSA-N -1 0 341.314 2.967 20 30 EFEDRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc(C#N)s2)s1 ZINC000421047588 477933617 /nfs/dbraw/zinc/93/36/17/477933617.db2.gz ZLPMHBBQBOCZRK-UHFFFAOYSA-N -1 0 335.458 2.948 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1OCC(C)C)C(=O)[O-] ZINC000516546391 477947185 /nfs/dbraw/zinc/94/71/85/477947185.db2.gz PYKSNPMSCUTSOA-OAHLLOKOSA-N -1 0 334.416 2.940 20 30 EFEDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000494298790 477962103 /nfs/dbraw/zinc/96/21/03/477962103.db2.gz KDNKWFSFUFYPKZ-LLVKDONJSA-N -1 0 348.403 2.873 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000516851766 477996560 /nfs/dbraw/zinc/99/65/60/477996560.db2.gz ZGNWYHAMYCYXMG-CYBMUJFWSA-N -1 0 328.771 2.740 20 30 EFEDRM CC(C)n1nc2c(c1[N-]S(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000471934422 478010866 /nfs/dbraw/zinc/01/08/66/478010866.db2.gz OFOJPYYRZLIJGK-UHFFFAOYSA-N -1 0 330.413 2.625 20 30 EFEDRM CC(C)(C)CC[C@](C)(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000560077505 478018077 /nfs/dbraw/zinc/01/80/77/478018077.db2.gz GIKVQIHTOZTOHF-INIZCTEOSA-N -1 0 338.429 2.506 20 30 EFEDRM CC#CCCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481907024 478026340 /nfs/dbraw/zinc/02/63/40/478026340.db2.gz GPUNZWNRMZOZBD-UHFFFAOYSA-N -1 0 338.795 2.954 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2nc3ccc(Cl)cn3[n-]2)cc1 ZINC000483784567 478029164 /nfs/dbraw/zinc/02/91/64/478029164.db2.gz MXISSLRHWUIZOF-UHFFFAOYSA-N -1 0 339.786 2.858 20 30 EFEDRM C=CCC[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000533085737 478032311 /nfs/dbraw/zinc/03/23/11/478032311.db2.gz LVEUGBIXJAMAQL-NSHDSACASA-N -1 0 340.305 2.966 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000517008102 478033063 /nfs/dbraw/zinc/03/30/63/478033063.db2.gz DASXWSOPROSWSM-XJKSGUPXSA-N -1 0 348.399 2.643 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000517008101 478033088 /nfs/dbraw/zinc/03/30/88/478033088.db2.gz DASXWSOPROSWSM-CZUORRHYSA-N -1 0 348.399 2.643 20 30 EFEDRM Cc1cc(Br)c([O-])c(NC(=O)c2cnccc2C#N)c1 ZINC000487238000 478034254 /nfs/dbraw/zinc/03/42/54/478034254.db2.gz YKWPMERKCRNZAQ-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000494659180 478037213 /nfs/dbraw/zinc/03/72/13/478037213.db2.gz NDYBXTHODCUWDE-SNVBAGLBSA-N -1 0 336.392 2.871 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H]1SCCc2ccccc21)C(=O)[O-] ZINC000560487774 478093663 /nfs/dbraw/zinc/09/36/63/478093663.db2.gz LAWUZTRNHFYHSY-HUUCEWRRSA-N -1 0 334.441 2.736 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000517573412 478104982 /nfs/dbraw/zinc/10/49/82/478104982.db2.gz SVBODBCCMRBKCD-NSHDSACASA-N -1 0 331.821 2.521 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000517657267 478110394 /nfs/dbraw/zinc/11/03/94/478110394.db2.gz OXGQGIVIBKDPRN-KRWDZBQOSA-N -1 0 347.436 2.721 20 30 EFEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nnc2n1CCCCC2 ZINC000517958097 478136608 /nfs/dbraw/zinc/13/66/08/478136608.db2.gz ZCYZNEYABKMOJQ-NSHDSACASA-N -1 0 327.413 2.828 20 30 EFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)c(C)c1 ZINC000534317237 478142591 /nfs/dbraw/zinc/14/25/91/478142591.db2.gz UFQSCRSFRKYJQA-UHFFFAOYSA-N -1 0 348.428 2.531 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2csc([C@@H]3CCCO3)n2)nc(C)n1 ZINC000534469778 478153545 /nfs/dbraw/zinc/15/35/45/478153545.db2.gz SYGZJAKZEYCHAA-RISCZKNCSA-N -1 0 328.397 2.892 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2csc([C@H]3CCCO3)n2)nc(C)n1 ZINC000534469779 478153573 /nfs/dbraw/zinc/15/35/73/478153573.db2.gz SYGZJAKZEYCHAA-SMDDNHRTSA-N -1 0 328.397 2.892 20 30 EFEDRM C[C@H](C#N)CNC(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000518244559 478153884 /nfs/dbraw/zinc/15/38/84/478153884.db2.gz TYPQOYJUGHZGAK-LKBWSCCASA-N -1 0 345.472 2.709 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3C)nc1-2 ZINC000429581318 478158008 /nfs/dbraw/zinc/15/80/08/478158008.db2.gz YRNVFCYSRURBPI-CYBMUJFWSA-N -1 0 335.323 2.973 20 30 EFEDRM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000495285962 478161745 /nfs/dbraw/zinc/16/17/45/478161745.db2.gz BTYGUJJRSDZSEK-UHFFFAOYSA-N -1 0 349.343 2.676 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)nsc2C)n1 ZINC000429692090 478174420 /nfs/dbraw/zinc/17/44/20/478174420.db2.gz ZEOFGJGBXVCPSX-SECBINFHSA-N -1 0 335.410 2.883 20 30 EFEDRM C=CCn1cccc1C(=O)N=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000488888459 478196927 /nfs/dbraw/zinc/19/69/27/478196927.db2.gz YJIVETMDRVFVSC-UHFFFAOYSA-N -1 0 342.399 2.930 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000562326081 478233193 /nfs/dbraw/zinc/23/31/93/478233193.db2.gz WPSBIAVAIJCIBK-UHFFFAOYSA-N -1 0 337.788 2.610 20 30 EFEDRM N#C[C@@H](Sc1n[n-]c(=NC[C@@H]2CCCO2)s1)c1ccccc1 ZINC000519604965 478239229 /nfs/dbraw/zinc/23/92/29/478239229.db2.gz DVSRIKPMOZXEBT-QWHCGFSZSA-N -1 0 332.454 2.908 20 30 EFEDRM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(C#N)s3)cnc21 ZINC000519680280 478248478 /nfs/dbraw/zinc/24/84/78/478248478.db2.gz FGNIEFGHGAYJGZ-UHFFFAOYSA-N -1 0 347.425 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000562648230 478297340 /nfs/dbraw/zinc/29/73/40/478297340.db2.gz OISZCFHCRUDBII-INIZCTEOSA-N -1 0 329.400 2.819 20 30 EFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)CCC3CCCC3)o2)c1 ZINC000590741237 478313792 /nfs/dbraw/zinc/31/37/92/478313792.db2.gz HBNSTFRWHADKJN-UHFFFAOYSA-N -1 0 346.412 2.930 20 30 EFEDRM C=CCC[C@H](NC(=O)NCC1(c2ccccc2OC)CCC1)C(=O)[O-] ZINC000570258078 478318781 /nfs/dbraw/zinc/31/87/81/478318781.db2.gz DCKODNYXFKBNNJ-HNNXBMFYSA-N -1 0 346.427 2.836 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@@](C)(C#N)C2CCCCC2)c1 ZINC000579583134 478330590 /nfs/dbraw/zinc/33/05/90/478330590.db2.gz FCKCDWANWCVQBW-MHECFPHRSA-N -1 0 348.468 2.782 20 30 EFEDRM COCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@H]1CCC[C@@H]1C ZINC000490336501 478331938 /nfs/dbraw/zinc/33/19/38/478331938.db2.gz QSWIMNADDYPOLS-FZMZJTMJSA-N -1 0 349.456 2.658 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)OCC ZINC000562730542 478333692 /nfs/dbraw/zinc/33/36/92/478333692.db2.gz NREPPLFTSHIQLD-ZDUSSCGKSA-N -1 0 337.397 2.609 20 30 EFEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000538009065 478343389 /nfs/dbraw/zinc/34/33/89/478343389.db2.gz ROTOURKKXFWFSC-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)[n-]1 ZINC000590822373 478356156 /nfs/dbraw/zinc/35/61/56/478356156.db2.gz SPXSCYTXSZECTJ-IUODEOHRSA-N -1 0 343.818 2.825 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC000570447919 478362257 /nfs/dbraw/zinc/36/22/57/478362257.db2.gz DFSUIUXADOBKEK-LBPRGKRZSA-N -1 0 341.429 2.554 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000580752769 478368382 /nfs/dbraw/zinc/36/83/82/478368382.db2.gz SWNQGCGJCKJYIO-UHFFFAOYSA-N -1 0 335.385 2.548 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)c1 ZINC000521175044 478370291 /nfs/dbraw/zinc/37/02/91/478370291.db2.gz GAWVBOMHBFDVGZ-INIZCTEOSA-N -1 0 348.399 2.643 20 30 EFEDRM COc1ccc2c(c1)[C@H](C(=O)N=c1[nH][n-]c(C3CC3)c1C#N)CCC2 ZINC000594420714 478376053 /nfs/dbraw/zinc/37/60/53/478376053.db2.gz HTJRXDCECWXOGD-CQSZACIVSA-N -1 0 336.395 2.648 20 30 EFEDRM N#CCC1CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000597497403 478380044 /nfs/dbraw/zinc/38/00/44/478380044.db2.gz DWXRGLSHUGOKDY-UHFFFAOYSA-N -1 0 346.337 2.622 20 30 EFEDRM C[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000562927167 478382718 /nfs/dbraw/zinc/38/27/18/478382718.db2.gz RPTOAZPRPRDWED-LLVKDONJSA-N -1 0 341.371 2.582 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000524549811 478389507 /nfs/dbraw/zinc/38/95/07/478389507.db2.gz QUZUBCIBZCNBEE-UHFFFAOYSA-N -1 0 332.429 2.948 20 30 EFEDRM CCOC(=O)c1[nH]c(C)c(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1C ZINC000600511844 478396628 /nfs/dbraw/zinc/39/66/28/478396628.db2.gz RDGSIKANUAERQL-VQHVLOKHSA-N -1 0 340.383 2.632 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)C(=O)[O-] ZINC000562974679 478399035 /nfs/dbraw/zinc/39/90/35/478399035.db2.gz TXSWMSNOFQDILP-ZIAGYGMSSA-N -1 0 336.363 2.758 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC(N=Nc2ccc(C(=O)[O-])nc2)CC1 ZINC000495921902 478411889 /nfs/dbraw/zinc/41/18/89/478411889.db2.gz NDWQXPJBOFGHTG-UHFFFAOYSA-N -1 0 348.403 2.969 20 30 EFEDRM C[C@@](CNC(=O)N1Cc2ccc(C#N)cc2C1)(C(=O)[O-])c1ccccc1 ZINC000594527260 478426082 /nfs/dbraw/zinc/42/60/82/478426082.db2.gz BWISGUHUERNSGH-FQEVSTJZSA-N -1 0 349.390 2.626 20 30 EFEDRM CC(C)[C@H](CNc1nc2c(c(C#N)c1C#N)CCCCCC2)C(=O)[O-] ZINC000594540169 478428710 /nfs/dbraw/zinc/42/87/10/478428710.db2.gz CWIXWSZDLYJNDO-INIZCTEOSA-N -1 0 340.427 2.675 20 30 EFEDRM CC(C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)C(=O)[O-] ZINC000594541739 478430425 /nfs/dbraw/zinc/43/04/25/478430425.db2.gz YOLLIGFQBIVREU-ZDUSSCGKSA-N -1 0 349.337 2.898 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1noc2c1COCC2 ZINC000527590920 478437829 /nfs/dbraw/zinc/43/78/29/478437829.db2.gz HALGWMPVIILHEY-GFCCVEGCSA-N -1 0 349.346 2.742 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)OC)c2ccccc12 ZINC000600663346 478458591 /nfs/dbraw/zinc/45/85/91/478458591.db2.gz DUTPGEAUVFEPOD-LLVKDONJSA-N -1 0 332.381 2.670 20 30 EFEDRM Cc1nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1C#N ZINC000600678086 478466308 /nfs/dbraw/zinc/46/63/08/478466308.db2.gz KWKZHMLEFMSSTH-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000594690182 478496798 /nfs/dbraw/zinc/49/67/98/478496798.db2.gz GWCGPKIXJDRFRC-QGZVFWFLSA-N -1 0 336.457 2.985 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594703156 478502783 /nfs/dbraw/zinc/50/27/83/478502783.db2.gz BDJUTHGYKMEUBW-INIZCTEOSA-N -1 0 338.429 2.514 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000591270014 478503906 /nfs/dbraw/zinc/50/39/06/478503906.db2.gz PQKKRQKXIZVZMG-HZPDHXFCSA-N -1 0 329.400 2.723 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000594720566 478512401 /nfs/dbraw/zinc/51/24/01/478512401.db2.gz PVIJRVHWFQXYPJ-UHFFFAOYSA-N -1 0 349.861 2.626 20 30 EFEDRM C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C1CCC1 ZINC000591327337 478523830 /nfs/dbraw/zinc/52/38/30/478523830.db2.gz BHRXKBJCJOWHMN-VIFPVBQESA-N -1 0 343.246 2.788 20 30 EFEDRM COc1ccc2ncc(C#N)c(N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000600800493 478526454 /nfs/dbraw/zinc/52/64/54/478526454.db2.gz MFLOBAVXTRKBAS-BXUZGUMPSA-N -1 0 325.368 2.662 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)CCCO ZINC000594761741 478534857 /nfs/dbraw/zinc/53/48/57/478534857.db2.gz WLVPWSPVRZKPSW-JTQLQIEISA-N -1 0 338.454 2.521 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000600873471 478548062 /nfs/dbraw/zinc/54/80/62/478548062.db2.gz LAVIHKZMHYXLQZ-MFKMUULPSA-N -1 0 338.385 2.611 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1OC(F)F)C(=O)[O-] ZINC000571380140 478581965 /nfs/dbraw/zinc/58/19/65/478581965.db2.gz SRXXVGWFTCDXRK-NSHDSACASA-N -1 0 328.315 2.507 20 30 EFEDRM N#Cc1sccc1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000597934581 478584178 /nfs/dbraw/zinc/58/41/78/478584178.db2.gz WXWDKVHTDHPCII-UHFFFAOYSA-N -1 0 347.827 2.941 20 30 EFEDRM C=CCCSCCNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000597968307 478599967 /nfs/dbraw/zinc/59/99/67/478599967.db2.gz SSGYGJDVFXFMOI-UHFFFAOYSA-N -1 0 347.440 2.626 20 30 EFEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000491622403 478601361 /nfs/dbraw/zinc/60/13/61/478601361.db2.gz DZGSNDVVSNTOPA-UHFFFAOYSA-N -1 0 341.816 2.605 20 30 EFEDRM CSCC1(CCNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000597980807 478605355 /nfs/dbraw/zinc/60/53/55/478605355.db2.gz CFZZMNPXEMNJFR-UHFFFAOYSA-N -1 0 337.470 2.644 20 30 EFEDRM C=CCO[N-]C(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC000496203827 478608141 /nfs/dbraw/zinc/60/81/41/478608141.db2.gz CQKFVNWVNMHVDR-CYBMUJFWSA-N -1 0 342.342 2.764 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000491634874 478609150 /nfs/dbraw/zinc/60/91/50/478609150.db2.gz RDLZLZMYQUUVBK-JSGCOSHPSA-N -1 0 328.441 2.987 20 30 EFEDRM C#C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000491663356 478621611 /nfs/dbraw/zinc/62/16/11/478621611.db2.gz POHFSVLEHUCZEZ-CYBMUJFWSA-N -1 0 340.782 2.954 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CC[C@H](c2ccc(C)o2)N1C(=O)OCC ZINC000496236186 478629716 /nfs/dbraw/zinc/62/97/16/478629716.db2.gz VDOCNWOUYJRNMC-ZIAGYGMSSA-N -1 0 336.388 2.874 20 30 EFEDRM N#CCC1(CNC(=O)N=c2nc(Sc3ccccc3)[n-]s2)CC1 ZINC000563782713 478631064 /nfs/dbraw/zinc/63/10/64/478631064.db2.gz INMIECRMIUSLIH-UHFFFAOYSA-N -1 0 345.453 2.927 20 30 EFEDRM N#CC1(CNC(=O)N=c2nc(Sc3ccccc3)[n-]s2)CC1 ZINC000582574508 478631089 /nfs/dbraw/zinc/63/10/89/478631089.db2.gz LIAVNPMITDYHBC-UHFFFAOYSA-N -1 0 331.426 2.536 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582583704 478633047 /nfs/dbraw/zinc/63/30/47/478633047.db2.gz GUKKDUGPQORUBA-GXTWGEPZSA-N -1 0 346.383 2.757 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582583705 478633602 /nfs/dbraw/zinc/63/36/02/478633602.db2.gz GUKKDUGPQORUBA-JSGCOSHPSA-N -1 0 346.383 2.757 20 30 EFEDRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)o1 ZINC000601063461 478636529 /nfs/dbraw/zinc/63/65/29/478636529.db2.gz BHDWEMNXQVUKCW-CXAGYDPISA-N -1 0 333.395 2.948 20 30 EFEDRM COc1ccc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)cc1OCCCC#N ZINC000601064457 478637242 /nfs/dbraw/zinc/63/72/42/478637242.db2.gz NJPPMHWERXLAIZ-OCCSQVGLSA-N -1 0 342.399 2.918 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc2ccccc2c(C(=O)[O-])c1 ZINC000601069697 478639805 /nfs/dbraw/zinc/63/98/05/478639805.db2.gz VMUJJJJNXGQZID-LBPRGKRZSA-N -1 0 346.408 2.708 20 30 EFEDRM CC[C@H](NN=C(C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000496311290 478646592 /nfs/dbraw/zinc/64/65/92/478646592.db2.gz OCDHKHFCHRLYIP-OLZOCXBDSA-N -1 0 327.425 2.605 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000571701890 478659408 /nfs/dbraw/zinc/65/94/08/478659408.db2.gz ZPCYZXNYWWZMSO-UHFFFAOYSA-N -1 0 345.392 2.557 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000491769384 478670232 /nfs/dbraw/zinc/67/02/32/478670232.db2.gz NDTWSDDZUMWOOC-LBPRGKRZSA-N -1 0 348.449 2.643 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000496605992 478674197 /nfs/dbraw/zinc/67/41/97/478674197.db2.gz JEMYFHQNKXVNMX-HNNXBMFYSA-N -1 0 334.416 2.919 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000571775335 478675532 /nfs/dbraw/zinc/67/55/32/478675532.db2.gz UCBQXFGLSAIWMP-KRWDZBQOSA-N -1 0 330.388 2.653 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccc(C)c(C)c2)cc1C#N ZINC000598143903 478677662 /nfs/dbraw/zinc/67/76/62/478677662.db2.gz NJRSHELWTCNXMQ-UHFFFAOYSA-N -1 0 341.436 2.970 20 30 EFEDRM C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000564023510 478682834 /nfs/dbraw/zinc/68/28/34/478682834.db2.gz QNQRRHKMMLVDRM-NSHDSACASA-N -1 0 338.212 2.615 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000491811713 478691916 /nfs/dbraw/zinc/69/19/16/478691916.db2.gz FLBJGBUDUYAWHO-UHFFFAOYSA-N -1 0 349.415 2.900 20 30 EFEDRM C=CCC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000598178693 478692863 /nfs/dbraw/zinc/69/28/63/478692863.db2.gz RXYXHVPMZZHTFL-UHFFFAOYSA-N -1 0 340.763 2.809 20 30 EFEDRM CC(C)Cc1nc(=NC(=O)[C@H](C#N)CCc2ccccc2)s[n-]1 ZINC000598191556 478698439 /nfs/dbraw/zinc/69/84/39/478698439.db2.gz PPLIRZICHSSLIT-AWEZNQCLSA-N -1 0 328.441 2.870 20 30 EFEDRM CC(C)(C)OC(=O)N[C@@H](CN=Nc1ccc(C(=O)[O-])nc1)CC1CC1 ZINC000496857016 478701486 /nfs/dbraw/zinc/70/14/86/478701486.db2.gz LVBHIDVHFZBQOM-CYBMUJFWSA-N -1 0 348.403 2.871 20 30 EFEDRM CC#CC[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000542857701 478702330 /nfs/dbraw/zinc/70/23/30/478702330.db2.gz DELNQLIWXLLZLN-QGZVFWFLSA-N -1 0 349.452 2.879 20 30 EFEDRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000595261414 478705584 /nfs/dbraw/zinc/70/55/84/478705584.db2.gz ZKUKXXRXIRKCRA-CYBMUJFWSA-N -1 0 329.400 2.906 20 30 EFEDRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C#N)cc1 ZINC000595261398 478706480 /nfs/dbraw/zinc/70/64/80/478706480.db2.gz YYWYRLWZPDGNNO-CYBMUJFWSA-N -1 0 329.400 2.906 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000542932693 478710410 /nfs/dbraw/zinc/71/04/10/478710410.db2.gz WUARBLGNGDXVCO-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000497042163 478721269 /nfs/dbraw/zinc/72/12/69/478721269.db2.gz AJCBQPOLSAAFFC-HIFRSBDPSA-N -1 0 334.416 2.745 20 30 EFEDRM Cc1ccc(Sc2nc(=NC(=O)NC[C@@H](C)C#N)s[n-]2)cc1 ZINC000583174275 478779917 /nfs/dbraw/zinc/77/99/17/478779917.db2.gz WACDXWNNEOGHRE-JTQLQIEISA-N -1 0 333.442 2.701 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000583176737 478780812 /nfs/dbraw/zinc/78/08/12/478780812.db2.gz SNVTWKWCTGXMEX-UHFFFAOYSA-N -1 0 336.392 2.892 20 30 EFEDRM N#CCC1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000543829525 478789853 /nfs/dbraw/zinc/78/98/53/478789853.db2.gz CEKLUXVUJVHHEI-UHFFFAOYSA-N -1 0 333.442 2.846 20 30 EFEDRM COCc1nc(=NC(=O)c2ccc(C#Cc3ccccc3)cc2)s[n-]1 ZINC000544107954 478808662 /nfs/dbraw/zinc/80/86/62/478808662.db2.gz OCLAAJXZQWFJFY-UHFFFAOYSA-N -1 0 349.415 2.759 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000592212898 478829039 /nfs/dbraw/zinc/82/90/39/478829039.db2.gz JDDLNBGMPNFAOY-TWMKSMIVSA-N -1 0 341.411 2.721 20 30 EFEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1N1CCOC1=O ZINC000492132056 478839978 /nfs/dbraw/zinc/83/99/78/478839978.db2.gz KFKOFWULFFXCLT-UHFFFAOYSA-N -1 0 337.335 2.781 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC2(C(=O)[O-])CCCC2)cc1OC ZINC000492141159 478843712 /nfs/dbraw/zinc/84/37/12/478843712.db2.gz UNQSLRMALOOZLL-CLFYSBASSA-N -1 0 345.395 2.787 20 30 EFEDRM N#CCCC1CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000564928288 478862303 /nfs/dbraw/zinc/86/23/03/478862303.db2.gz CWYKMGMWLNLXFG-UHFFFAOYSA-N -1 0 331.401 2.768 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(SC)n2)n1 ZINC000592366832 478868948 /nfs/dbraw/zinc/86/89/48/478868948.db2.gz OHHVNSQOFYANBK-VIFPVBQESA-N -1 0 347.421 2.927 20 30 EFEDRM CC(C)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000545152572 478888269 /nfs/dbraw/zinc/88/82/69/478888269.db2.gz KELHVJBLKZHCCN-UHFFFAOYSA-N -1 0 326.765 2.519 20 30 EFEDRM CCC(CC)(CNc1c(C#N)cnc2ccc(OC)cc21)C(=O)[O-] ZINC000592421717 478890491 /nfs/dbraw/zinc/89/04/91/478890491.db2.gz VDEBIMJVJHZNFP-UHFFFAOYSA-N -1 0 327.384 2.840 20 30 EFEDRM N#Cc1ccc(OC2CCC(Nc3ncccc3C(=O)[O-])CC2)nc1 ZINC000592426630 478892192 /nfs/dbraw/zinc/89/21/92/478892192.db2.gz IKWGTUVOWBLPAS-UHFFFAOYSA-N -1 0 338.367 2.849 20 30 EFEDRM N#CCCCOc1cccc(CN=c2[n-]c(Cc3ccncc3)no2)c1 ZINC000592457127 478900800 /nfs/dbraw/zinc/90/08/00/478900800.db2.gz CNROXRZXMHQDJN-UHFFFAOYSA-N -1 0 349.394 2.772 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000545294021 478919106 /nfs/dbraw/zinc/91/91/06/478919106.db2.gz QUHGHTOBWUIBOZ-LLVKDONJSA-N -1 0 344.392 2.691 20 30 EFEDRM CC(C)(CC#N)CNC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000583738594 478929340 /nfs/dbraw/zinc/92/93/40/478929340.db2.gz RGABOAJROBCXHW-UHFFFAOYSA-N -1 0 347.419 2.751 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(SC(F)F)cc1 ZINC000492324408 478931553 /nfs/dbraw/zinc/93/15/53/478931553.db2.gz QNJJUNQBNMLFKJ-VMPITWQZSA-N -1 0 333.381 2.647 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1c(Cl)cccc1Cl ZINC000492333697 478937133 /nfs/dbraw/zinc/93/71/33/478937133.db2.gz XZZHWPBVVPLYBZ-SREVYHEPSA-N -1 0 347.223 2.756 20 30 EFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000583768633 478938891 /nfs/dbraw/zinc/93/88/91/478938891.db2.gz IYGKOOUQEOEPFG-UHFFFAOYSA-N -1 0 347.378 2.929 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000583935242 478975143 /nfs/dbraw/zinc/97/51/43/478975143.db2.gz ZFZIJYYYVJYSLT-DGCLKSJQSA-N -1 0 331.372 2.531 20 30 EFEDRM COc1ccccc1CC(C)(C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000601737370 478977717 /nfs/dbraw/zinc/97/77/17/478977717.db2.gz NUBMVUCAORKZHC-UHFFFAOYSA-N -1 0 338.411 2.797 20 30 EFEDRM N#C[C@@]1(C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)CC12CCCC2 ZINC000592645891 478980369 /nfs/dbraw/zinc/98/03/69/478980369.db2.gz FIOGIXBLDFRDFG-CYBMUJFWSA-N -1 0 346.740 2.933 20 30 EFEDRM CC(C)(C#N)C[C@H](O)CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000598704516 478981087 /nfs/dbraw/zinc/98/10/87/478981087.db2.gz QSNPCSOFMXCHEJ-ZDUSSCGKSA-N -1 0 348.497 2.965 20 30 EFEDRM CC(C)(C#N)C[C@@H](O)CSc1n[n-]c(=NCc2ccco2)s1 ZINC000598703263 478981476 /nfs/dbraw/zinc/98/14/76/478981476.db2.gz FGLNPLSGOCYLKT-SNVBAGLBSA-N -1 0 338.458 2.558 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000584031490 478996548 /nfs/dbraw/zinc/99/65/48/478996548.db2.gz PPPWFYRDCBIHPC-LLVKDONJSA-N -1 0 332.278 2.779 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000584031491 478997330 /nfs/dbraw/zinc/99/73/30/478997330.db2.gz PPPWFYRDCBIHPC-NSHDSACASA-N -1 0 332.278 2.779 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000528986032 479010817 /nfs/dbraw/zinc/01/08/17/479010817.db2.gz NNBMXQONWQECEB-UHFFFAOYSA-N -1 0 345.424 2.678 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000492643882 479011154 /nfs/dbraw/zinc/01/11/54/479011154.db2.gz SEXXWGVMJBSGRV-CSKARUKUSA-N -1 0 348.424 2.508 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000492643885 479011370 /nfs/dbraw/zinc/01/13/70/479011370.db2.gz SEXXWGVMJBSGRV-NTMALXAHSA-N -1 0 348.424 2.508 20 30 EFEDRM N#CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000492798828 479019454 /nfs/dbraw/zinc/01/94/54/479019454.db2.gz LIINLZKWHAKKHC-CXSQMQJXSA-N -1 0 342.395 2.848 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000529031828 479025861 /nfs/dbraw/zinc/02/58/61/479025861.db2.gz IMEUYAUJGLLFKI-OAHLLOKOSA-N -1 0 334.441 2.840 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC1(c2ccc(F)cc2F)CC1)C(=O)[O-] ZINC000514583550 479027355 /nfs/dbraw/zinc/02/73/55/479027355.db2.gz GDRLFVWCXCRGRB-CQSZACIVSA-N -1 0 338.354 2.715 20 30 EFEDRM C=CCOC[C@@H](NC(=O)N[C@H](C)CCC1CCCCC1)C(=O)[O-] ZINC000514584173 479027511 /nfs/dbraw/zinc/02/75/11/479027511.db2.gz ZJHBTNWMFOBNHN-UKRRQHHQSA-N -1 0 326.437 2.690 20 30 EFEDRM CC=CC=CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1 ZINC000493029024 479031533 /nfs/dbraw/zinc/03/15/33/479031533.db2.gz USESCRRIKKMWLW-XOHCZRAWSA-N -1 0 339.395 2.604 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000493237962 479040876 /nfs/dbraw/zinc/04/08/76/479040876.db2.gz JSEYOPKBDGHFMV-BQYQJAHWSA-N -1 0 342.420 2.803 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C2CC2)cc1 ZINC000493266485 479041845 /nfs/dbraw/zinc/04/18/45/479041845.db2.gz NPCHDCTYLSIZHK-BJMVGYQFSA-N -1 0 332.425 2.573 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cn(C)c3ccccc23)CC1 ZINC000493255686 479041854 /nfs/dbraw/zinc/04/18/54/479041854.db2.gz NVAFIUSVINHDSM-CMDGGOBGSA-N -1 0 344.436 2.746 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000546620044 479042428 /nfs/dbraw/zinc/04/24/28/479042428.db2.gz UMPAKVNYCIZLPR-UHFFFAOYSA-N -1 0 341.392 2.859 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000493315949 479044820 /nfs/dbraw/zinc/04/48/20/479044820.db2.gz DUMKFMAVTVZIOO-GQCTYLIASA-N -1 0 331.846 2.969 20 30 EFEDRM N#CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000565623950 479046781 /nfs/dbraw/zinc/04/67/81/479046781.db2.gz APISPEPEIZFCOL-UHFFFAOYSA-N -1 0 329.287 3.000 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000493368521 479047682 /nfs/dbraw/zinc/04/76/82/479047682.db2.gz MIKGHVQHTMAKEI-HBXAWUERSA-N -1 0 345.395 2.643 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000595882099 479049182 /nfs/dbraw/zinc/04/91/82/479049182.db2.gz GEUQASYYOCAELV-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000493456004 479050776 /nfs/dbraw/zinc/05/07/76/479050776.db2.gz IHZSFBLJWCIQSW-BQYQJAHWSA-N -1 0 348.449 2.864 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000514716230 479053391 /nfs/dbraw/zinc/05/33/91/479053391.db2.gz IVUSVOMLKSFSSO-UAGQMJEPSA-N -1 0 346.427 2.710 20 30 EFEDRM C=CCC[C@H](NC(=O)/C=C/c1ccccc1OC(F)F)C(=O)[O-] ZINC000493518253 479054449 /nfs/dbraw/zinc/05/44/49/479054449.db2.gz KVOUCKZLNVODAJ-VMPCVLLUSA-N -1 0 325.311 2.837 20 30 EFEDRM C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C(=O)[O-] ZINC000514727388 479056505 /nfs/dbraw/zinc/05/65/05/479056505.db2.gz WIOBHBIGUBEONY-CMPLNLGQSA-N -1 0 335.791 2.981 20 30 EFEDRM C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000514727389 479056817 /nfs/dbraw/zinc/05/68/17/479056817.db2.gz WIOBHBIGUBEONY-JQWIXIFHSA-N -1 0 335.791 2.981 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000546707826 479060306 /nfs/dbraw/zinc/06/03/06/479060306.db2.gz XKYGRLUAMYKHQV-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000493579725 479064291 /nfs/dbraw/zinc/06/42/91/479064291.db2.gz BOXYRENEDCSPAP-LUAWRHEFSA-N -1 0 347.367 2.568 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1OC ZINC000493610982 479080827 /nfs/dbraw/zinc/08/08/27/479080827.db2.gz BDEICQMWBHKAQA-SOIVGHGOSA-N -1 0 345.395 2.739 20 30 EFEDRM N#Cc1ccc(Br)c(-n2[n-]c3c(c2=O)CSCC3)c1 ZINC000601947677 479088630 /nfs/dbraw/zinc/08/86/30/479088630.db2.gz KNIBIKYZCJWWSD-SECBINFHSA-N -1 0 336.214 2.776 20 30 EFEDRM Cc1[n-]n(-c2cc(CO)ccc2Br)c(=O)c1CCC#N ZINC000601949067 479089455 /nfs/dbraw/zinc/08/94/55/479089455.db2.gz KHMDADMPQHDPHA-LLVKDONJSA-N -1 0 336.189 2.584 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c(F)c1 ZINC000584326522 479092704 /nfs/dbraw/zinc/09/27/04/479092704.db2.gz JMQHDBLBMVATLL-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM N#CC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCSCC1 ZINC000566446572 479092764 /nfs/dbraw/zinc/09/27/64/479092764.db2.gz KEHIMFUUSWGLFU-UHFFFAOYSA-N -1 0 330.331 2.930 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)n1 ZINC000601961362 479096533 /nfs/dbraw/zinc/09/65/33/479096533.db2.gz CWOMOVZPCASXAF-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1C#N ZINC000601962284 479096898 /nfs/dbraw/zinc/09/68/98/479096898.db2.gz ITGOASPKLPLDHF-UHFFFAOYSA-N -1 0 330.413 2.979 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cn1CC1CC1 ZINC000596021636 479098090 /nfs/dbraw/zinc/09/80/90/479098090.db2.gz QXBUOJSUMCTGQD-UHFFFAOYSA-N -1 0 344.440 2.836 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@H](C)OC3(CCCC3)C2)cc1C#N ZINC000592904536 479098387 /nfs/dbraw/zinc/09/83/87/479098387.db2.gz RXTCRLJMHTXBGC-NSHDSACASA-N -1 0 347.440 2.554 20 30 EFEDRM C=C(C)CS(=O)(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000566912227 479099173 /nfs/dbraw/zinc/09/91/73/479099173.db2.gz BGKQPXDLIKBHTK-MRXNPFEDSA-N -1 0 347.436 2.579 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cn1CC1CC1 ZINC000596026869 479099237 /nfs/dbraw/zinc/09/92/37/479099237.db2.gz OPCSDMVPUAVDQV-UHFFFAOYSA-N -1 0 348.403 2.667 20 30 EFEDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)c1 ZINC000596042260 479104488 /nfs/dbraw/zinc/10/44/88/479104488.db2.gz SCDLGLQQUBTLBZ-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM CC(C)Oc1cncc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000601974327 479105021 /nfs/dbraw/zinc/10/50/21/479105021.db2.gz ASPCWHGKEBMOIP-UHFFFAOYSA-N -1 0 331.397 2.736 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)sn1 ZINC000601976801 479106874 /nfs/dbraw/zinc/10/68/74/479106874.db2.gz SRAATGARKSFHHB-UHFFFAOYSA-N -1 0 337.426 2.911 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(OC(C)C)c1 ZINC000601976886 479106884 /nfs/dbraw/zinc/10/68/84/479106884.db2.gz VJFMJNJDDLUDCK-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CCCSCCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000601991563 479119127 /nfs/dbraw/zinc/11/91/27/479119127.db2.gz IIQXKKIYQGUQRZ-QGZVFWFLSA-N -1 0 339.432 2.984 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000547909258 479121334 /nfs/dbraw/zinc/12/13/34/479121334.db2.gz KDGICUAOBQVHJU-UHFFFAOYSA-N -1 0 331.393 2.615 20 30 EFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000547903926 479121386 /nfs/dbraw/zinc/12/13/86/479121386.db2.gz DNZVRMGQAKSHSR-UHFFFAOYSA-N -1 0 339.800 2.755 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1ccccc1)[C@H](C(=O)[O-])C(C)C ZINC000548212989 479124537 /nfs/dbraw/zinc/12/45/37/479124537.db2.gz XAFXOJZXUXDTLF-HNNXBMFYSA-N -1 0 325.430 2.504 20 30 EFEDRM C=C(C)COCCNC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000568467714 479125054 /nfs/dbraw/zinc/12/50/54/479125054.db2.gz JUVMSPUGTMAEIY-INIZCTEOSA-N -1 0 334.416 2.827 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC000593014722 479125225 /nfs/dbraw/zinc/12/52/25/479125225.db2.gz OVSNIVGOIAYABG-UHFFFAOYSA-N -1 0 339.298 2.679 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnn2CC(C)C)n1 ZINC000568509779 479126031 /nfs/dbraw/zinc/12/60/31/479126031.db2.gz YRYRGQSXAONSDI-LLVKDONJSA-N -1 0 346.412 2.662 20 30 EFEDRM CC(C)(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(=O)[O-] ZINC000548528289 479127158 /nfs/dbraw/zinc/12/71/58/479127158.db2.gz ASXHVTAWJVYAAO-CYBMUJFWSA-N -1 0 344.477 2.517 20 30 EFEDRM N#CCC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000568715760 479128860 /nfs/dbraw/zinc/12/88/60/479128860.db2.gz ACWGSYGDODRMER-UHFFFAOYSA-N -1 0 348.346 2.725 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000602002267 479129193 /nfs/dbraw/zinc/12/91/93/479129193.db2.gz PRDJDLGMIYWKKF-QWHCGFSZSA-N -1 0 337.441 2.805 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568827491 479130617 /nfs/dbraw/zinc/13/06/17/479130617.db2.gz ZZMSEXJSXNEBAZ-ZDUSSCGKSA-N -1 0 332.400 2.789 20 30 EFEDRM C=CCOc1cccc(NC(=O)N(CCC)[C@H](COC)C(=O)[O-])c1 ZINC000569069094 479134422 /nfs/dbraw/zinc/13/44/22/479134422.db2.gz UGQULDGJUICVBT-OAHLLOKOSA-N -1 0 336.388 2.595 20 30 EFEDRM N#CC(=C([O-])c1cn(CC2CC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000569559559 479144368 /nfs/dbraw/zinc/14/43/68/479144368.db2.gz STZBDYJFDDARMY-NSHDSACASA-N -1 0 335.289 2.592 20 30 EFEDRM CC#CC[C@@H](NS(=O)(=O)c1cc(C(C)C)ccc1Cl)C(=O)[O-] ZINC000551998479 479149371 /nfs/dbraw/zinc/14/93/71/479149371.db2.gz AWKHZGANNPNJSS-CYBMUJFWSA-N -1 0 343.832 2.608 20 30 EFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000610725675 479167568 /nfs/dbraw/zinc/16/75/68/479167568.db2.gz INJONRTYQISYJG-UHFFFAOYSA-N -1 0 331.397 2.799 20 30 EFEDRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610730889 479170971 /nfs/dbraw/zinc/17/09/71/479170971.db2.gz WNCALMALLZKPAH-INIZCTEOSA-N -1 0 325.416 2.589 20 30 EFEDRM C[C@H](c1ccccc1)n1ccc([N-]c2nccc(C#N)c2[N+](=O)[O-])n1 ZINC000610755418 479177473 /nfs/dbraw/zinc/17/74/73/479177473.db2.gz AWWMADBKYJYABH-GFCCVEGCSA-N -1 0 334.339 2.833 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000596216180 479203991 /nfs/dbraw/zinc/20/39/91/479203991.db2.gz VUVJKBHVOSHDQH-OAHLLOKOSA-N -1 0 326.425 2.825 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000610845793 479205218 /nfs/dbraw/zinc/20/52/18/479205218.db2.gz FHTCMAMBXXKUTH-ZDUSSCGKSA-N -1 0 330.384 2.571 20 30 EFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(F)c1 ZINC000610897175 479228345 /nfs/dbraw/zinc/22/83/45/479228345.db2.gz ONXPLAUZFLIFBK-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000602209173 479237946 /nfs/dbraw/zinc/23/79/46/479237946.db2.gz AYECZJOROUJECS-JTQLQIEISA-N -1 0 336.323 2.792 20 30 EFEDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593203491 479237913 /nfs/dbraw/zinc/23/79/13/479237913.db2.gz FBHPILSMDAAZLK-UHFFFAOYSA-N -1 0 332.429 2.862 20 30 EFEDRM Cc1cccc(CO[C@H](C)C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1 ZINC000602282200 479269448 /nfs/dbraw/zinc/26/94/48/479269448.db2.gz NFHGTFJKVVMKPU-CQSZACIVSA-N -1 0 340.427 2.784 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)o1 ZINC000574353096 479271049 /nfs/dbraw/zinc/27/10/49/479271049.db2.gz ZCPRQXNIBQJSRN-GFCCVEGCSA-N -1 0 330.287 2.733 20 30 EFEDRM N#CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000596448030 479298212 /nfs/dbraw/zinc/29/82/12/479298212.db2.gz TTZQCIZOQTWOGH-LBPRGKRZSA-N -1 0 327.413 2.785 20 30 EFEDRM CC(C)c1ccc(C[C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000611228361 479316749 /nfs/dbraw/zinc/31/67/49/479316749.db2.gz OWXYBRJYSMCJHP-CYBMUJFWSA-N -1 0 325.416 2.590 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)[n-]1 ZINC000611283120 479337200 /nfs/dbraw/zinc/33/72/00/479337200.db2.gz NAVDMVCMUZDJRU-CYBMUJFWSA-N -1 0 337.427 2.690 20 30 EFEDRM CCc1ccc(C2=CCN(C(=O)N=c3[n-]n(C)cc3C#N)CC2)cc1 ZINC000611323093 479348885 /nfs/dbraw/zinc/34/88/85/479348885.db2.gz XMMPUOLOHPCXKJ-UHFFFAOYSA-N -1 0 335.411 2.597 20 30 EFEDRM N#CC[C@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000596637211 479367465 /nfs/dbraw/zinc/36/74/65/479367465.db2.gz UDQQTZAKGVCRFU-CQSZACIVSA-N -1 0 341.440 2.708 20 30 EFEDRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000574956026 479378497 /nfs/dbraw/zinc/37/84/97/479378497.db2.gz IAOZETBVKSNGRC-UHFFFAOYSA-N -1 0 336.392 2.741 20 30 EFEDRM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1O ZINC000588099313 479395652 /nfs/dbraw/zinc/39/56/52/479395652.db2.gz PCYLEFZDKPFXAL-UHFFFAOYSA-N -1 0 346.726 2.662 20 30 EFEDRM CC(C)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258886 479411341 /nfs/dbraw/zinc/41/13/41/479411341.db2.gz LDCNVENIESODLR-OAHLLOKOSA-N -1 0 345.834 2.928 20 30 EFEDRM CCCSc1nc(=NC(=O)NCCc2ccc(C#N)cc2)s[n-]1 ZINC000596794774 479429735 /nfs/dbraw/zinc/42/97/35/479429735.db2.gz VFMUCPWHFNRBLO-UHFFFAOYSA-N -1 0 347.469 2.698 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2NCc2ccccc2)c1C#N ZINC000588715399 479433489 /nfs/dbraw/zinc/43/34/89/479433489.db2.gz KBGGTISCPJAXHS-UHFFFAOYSA-N -1 0 331.379 2.876 20 30 EFEDRM Cc1[nH]c(-c2ccccc2)nc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000588767961 479440116 /nfs/dbraw/zinc/44/01/16/479440116.db2.gz PPGIOQOVAGTHIA-UHFFFAOYSA-N -1 0 332.367 2.532 20 30 EFEDRM CN(Cc1n[n-]c(=O)o1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000588848809 479449209 /nfs/dbraw/zinc/44/92/09/479449209.db2.gz FLNHXTLWDWLVOF-UHFFFAOYSA-N -1 0 334.335 2.586 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(F)c1 ZINC000588906036 479455585 /nfs/dbraw/zinc/45/55/85/479455585.db2.gz DWXFQZXKYISKQF-UHFFFAOYSA-N -1 0 336.310 2.693 20 30 EFEDRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1(C#N)CCC1 ZINC000596911109 479483614 /nfs/dbraw/zinc/48/36/14/479483614.db2.gz KZKKCXSFSBWCKC-UHFFFAOYSA-N -1 0 330.775 2.750 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1C#N ZINC000604194392 479483967 /nfs/dbraw/zinc/48/39/67/479483967.db2.gz MAZPSKMEOGHMRW-UHFFFAOYSA-N -1 0 331.401 2.654 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000604455767 479521086 /nfs/dbraw/zinc/52/10/86/479521086.db2.gz AYVBFTQXLHOXGS-ZDUSSCGKSA-N -1 0 339.355 2.711 20 30 EFEDRM Cc1nsc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N ZINC000593960647 479522349 /nfs/dbraw/zinc/52/23/49/479522349.db2.gz BBOPQECTFCKYCC-INTQDDNPSA-N -1 0 336.417 2.580 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593961748 479522765 /nfs/dbraw/zinc/52/27/65/479522765.db2.gz LDDLPYATARBSRT-JIMOISOXSA-N -1 0 333.363 2.954 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000593988012 479534508 /nfs/dbraw/zinc/53/45/08/479534508.db2.gz CEQYNTCGBDWLJP-CYBMUJFWSA-N -1 0 335.411 2.621 20 30 EFEDRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cncc(C#N)c3)nc21 ZINC000589586024 479542117 /nfs/dbraw/zinc/54/21/17/479542117.db2.gz ZEVWXMTWMMUQJV-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589588840 479542770 /nfs/dbraw/zinc/54/27/70/479542770.db2.gz JNVLYENFVWSYCM-UHFFFAOYSA-N -1 0 332.429 2.796 20 30 EFEDRM CC(C)C[C@H](C#N)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597073978 479558056 /nfs/dbraw/zinc/55/80/56/479558056.db2.gz LXCFKSCHCOBFMT-GFCCVEGCSA-N -1 0 332.791 2.899 20 30 EFEDRM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618743469 479576493 /nfs/dbraw/zinc/57/64/93/479576493.db2.gz QAWPVBTWIAQWDN-CQSZACIVSA-N -1 0 341.440 2.983 20 30 EFEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000576403981 479579543 /nfs/dbraw/zinc/57/95/43/479579543.db2.gz VQLZKPZDJYVKSF-UHFFFAOYSA-N -1 0 329.805 2.686 20 30 EFEDRM C=CCCCCCNS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000576716450 479583767 /nfs/dbraw/zinc/58/37/67/479583767.db2.gz YIRWLVYQNDGCAD-UHFFFAOYSA-N -1 0 325.430 2.972 20 30 EFEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000576893555 479585188 /nfs/dbraw/zinc/58/51/88/479585188.db2.gz GZOHOWBVIYLWLH-GFCCVEGCSA-N -1 0 327.388 2.914 20 30 EFEDRM C=CCC[C@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000577039070 479586805 /nfs/dbraw/zinc/58/68/05/479586805.db2.gz OAQYLAUCSZOGGD-LBPRGKRZSA-N -1 0 326.780 2.567 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000577529387 479594052 /nfs/dbraw/zinc/59/40/52/479594052.db2.gz SQSYHIFVPGPUQJ-NSHDSACASA-N -1 0 327.302 2.674 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000577937386 479598850 /nfs/dbraw/zinc/59/88/50/479598850.db2.gz RDEITEDVXBAOIU-JTQLQIEISA-N -1 0 332.278 2.968 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000578224214 479603486 /nfs/dbraw/zinc/60/34/86/479603486.db2.gz ROKZORJLCWRKBF-OAHLLOKOSA-N -1 0 332.400 2.648 20 30 EFEDRM C=CCOc1cccnc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000578399028 479605037 /nfs/dbraw/zinc/60/50/37/479605037.db2.gz NCSVMKYXBOFWDE-UHFFFAOYSA-N -1 0 332.400 2.801 20 30 EFEDRM Cc1cc(F)ccc1C1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1 ZINC000590121574 479606246 /nfs/dbraw/zinc/60/62/46/479606246.db2.gz NPYXACAFJFKFGO-UHFFFAOYSA-N -1 0 341.390 2.573 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@@H](c2ccc(C)cc2)[C@@H]1C(=O)[O-] ZINC000578731381 479609857 /nfs/dbraw/zinc/60/98/57/479609857.db2.gz RBZGFNPCEXMMKR-JKSUJKDBSA-N -1 0 337.441 2.534 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)[n-]1 ZINC000602884034 479610928 /nfs/dbraw/zinc/61/09/28/479610928.db2.gz UGLQGRWGSXZDEX-CQSZACIVSA-N -1 0 329.791 2.566 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000590320106 479630204 /nfs/dbraw/zinc/63/02/04/479630204.db2.gz MYYUOSDYZJCFHU-PLNGDYQASA-N -1 0 337.364 2.551 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000612292326 479634095 /nfs/dbraw/zinc/63/40/95/479634095.db2.gz NEYYAWKDMNKCHP-KRWDZBQOSA-N -1 0 341.440 2.708 20 30 EFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000612302699 479637446 /nfs/dbraw/zinc/63/74/46/479637446.db2.gz ROOONZCNZIXIAE-CQSZACIVSA-N -1 0 333.442 2.846 20 30 EFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612367517 479656260 /nfs/dbraw/zinc/65/62/60/479656260.db2.gz HGAKTQFXBZFOAA-KRWDZBQOSA-N -1 0 349.456 2.604 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@](C)(C#N)C2)n1 ZINC000612366926 479656264 /nfs/dbraw/zinc/65/62/64/479656264.db2.gz ZKDWOKQDFZNDTH-GOSISDBHSA-N -1 0 342.374 2.791 20 30 EFEDRM C=CCOc1ccccc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000621614586 479724998 /nfs/dbraw/zinc/72/49/98/479724998.db2.gz MQAMFSLHQFVWLC-AUUYWEPGSA-N -1 0 329.396 2.968 20 30 EFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@](F)(C#N)C3)n2)cc1 ZINC000615826387 479762245 /nfs/dbraw/zinc/76/22/45/479762245.db2.gz ZZNCBGUMEVPPLT-GOSISDBHSA-N -1 0 342.374 2.779 20 30 EFEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)n[nH]2)o1 ZINC000619463971 479801596 /nfs/dbraw/zinc/80/15/96/479801596.db2.gz OKAAGSWQHCISSD-UHFFFAOYSA-N -1 0 342.380 2.845 20 30 EFEDRM C=C[C@H](Sc1n[n-]c(=Nc2cccc(OC)c2)s1)C(=O)OC ZINC000619686404 479856572 /nfs/dbraw/zinc/85/65/72/479856572.db2.gz GQBSVCYWTLINQS-NSHDSACASA-N -1 0 337.426 2.532 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CC#N)c2)cc1 ZINC000609749999 480201672 /nfs/dbraw/zinc/20/16/72/480201672.db2.gz PZFOSUWMPIEIDV-KRWDZBQOSA-N -1 0 338.363 2.707 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c2n[nH]cc21 ZINC000610057756 480233143 /nfs/dbraw/zinc/23/31/43/480233143.db2.gz RPRRWJOEZIFUTG-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610056627 480233231 /nfs/dbraw/zinc/23/32/31/480233231.db2.gz BLFBMOFICWVESK-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM N#CCn1c(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000614305086 480261879 /nfs/dbraw/zinc/26/18/79/480261879.db2.gz WPYKCVQCPXSCPT-UHFFFAOYSA-N -1 0 345.284 2.648 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])[C@@H](C)COC ZINC000617579763 480286987 /nfs/dbraw/zinc/28/69/87/480286987.db2.gz KPRQEXDZQJXVLN-ZDUSSCGKSA-N -1 0 347.390 2.689 20 30 EFEDRM C=CCN(C(=O)c1nn(-c2ccccc2CC)cc1[O-])[C@H](C)COC ZINC000617583972 480289317 /nfs/dbraw/zinc/28/93/17/480289317.db2.gz UEJKFFCEVCFATQ-CQSZACIVSA-N -1 0 343.427 2.803 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)[n-]1 ZINC000614430771 480303932 /nfs/dbraw/zinc/30/39/32/480303932.db2.gz APNNFXGKRREMKC-KSZLIROESA-N -1 0 349.438 2.904 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2c2ccccc2Cl)[n-]1 ZINC000610561467 480336722 /nfs/dbraw/zinc/33/67/22/480336722.db2.gz KQAQDHILOVTBQC-CQSZACIVSA-N -1 0 329.791 2.736 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCc2ccc(Oc3ccccc3)cc2)[n-]1 ZINC000610561829 480336765 /nfs/dbraw/zinc/33/67/65/480336765.db2.gz RXLGXZKCVQJXMX-UHFFFAOYSA-N -1 0 347.378 2.828 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cc(Cl)ccc1Cl ZINC000610562021 480337143 /nfs/dbraw/zinc/33/71/43/480337143.db2.gz VKDYKQQCTUJSCO-MRVPVSSYSA-N -1 0 338.198 2.903 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)[n-]1 ZINC000610562056 480337214 /nfs/dbraw/zinc/33/72/14/480337214.db2.gz HRBKAIXTSMAMHV-CQSZACIVSA-N -1 0 329.379 2.762 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)[n-]1 ZINC000610561076 480337266 /nfs/dbraw/zinc/33/72/66/480337266.db2.gz DCIQZNKRCMWXLQ-UHFFFAOYSA-N -1 0 339.374 2.564 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cc2ccccc2s1 ZINC000610561121 480337355 /nfs/dbraw/zinc/33/73/55/480337355.db2.gz PHSOYZZXSJOSTN-JTQLQIEISA-N -1 0 325.397 2.811 20 30 EFEDRM CCCC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(OC)cc1 ZINC000610560751 480337396 /nfs/dbraw/zinc/33/73/96/480337396.db2.gz JSPHXVAFJWFNLE-INIZCTEOSA-N -1 0 341.415 2.775 20 30 EFEDRM Cc1cccc(CN(Cc2ccco2)C(=O)N=c2[n-]n(C)cc2C#N)c1 ZINC000610560372 480337457 /nfs/dbraw/zinc/33/74/57/480337457.db2.gz BGCWHEHMQVYNIO-UHFFFAOYSA-N -1 0 349.394 2.849 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)[n-]1 ZINC000610561909 480337565 /nfs/dbraw/zinc/33/75/65/480337565.db2.gz SPKMCLMGBNRUGV-KRWDZBQOSA-N -1 0 349.369 2.764 20 30 EFEDRM C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000610565045 480337907 /nfs/dbraw/zinc/33/79/07/480337907.db2.gz OJZWJKYRHCEKFX-ZDUSSCGKSA-N -1 0 346.394 2.658 20 30 EFEDRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)o1 ZINC000610564855 480338155 /nfs/dbraw/zinc/33/81/55/480338155.db2.gz MMRJCUGXRQHMRK-ABAIWWIYSA-N -1 0 339.399 2.627 20 30 EFEDRM COCCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000626466556 480368046 /nfs/dbraw/zinc/36/80/46/480368046.db2.gz FIHOHULFGWUXEC-ZDUSSCGKSA-N -1 0 330.413 2.744 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC(=Cc3ccccc3F)CC2)[n-]1 ZINC000610698562 480368702 /nfs/dbraw/zinc/36/87/02/480368702.db2.gz VMQPOWRKNIPRNY-UHFFFAOYSA-N -1 0 339.374 2.564 20 30 EFEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n[nH]1 ZINC000610705961 480369787 /nfs/dbraw/zinc/36/97/87/480369787.db2.gz FDEDXGUKBSWWII-UHFFFAOYSA-N -1 0 340.355 2.658 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626753032 480513717 /nfs/dbraw/zinc/51/37/17/480513717.db2.gz DGMCLNFKGGGLGN-ZFWWWQNUSA-N -1 0 332.400 2.504 20 30 EFEDRM C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000634842903 480576307 /nfs/dbraw/zinc/57/63/07/480576307.db2.gz ZZJXQFNWRRBAAL-VHSXEESVSA-N -1 0 340.173 2.673 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000634853269 480581883 /nfs/dbraw/zinc/58/18/83/480581883.db2.gz JVAXNXHADVNSTA-ZJUUUORDSA-N -1 0 331.821 2.794 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000630182291 480595498 /nfs/dbraw/zinc/59/54/98/480595498.db2.gz NFPXMSAVFKSTBY-DYVFJYSZSA-N -1 0 326.396 2.949 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2ccccc2C)CCCC1)C(=O)[O-] ZINC000630186979 480598252 /nfs/dbraw/zinc/59/82/52/480598252.db2.gz FWVOTENTZFSFHK-INIZCTEOSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N=c1[n-]nc([C@H]2CCCO2)s1 ZINC000640747477 480602409 /nfs/dbraw/zinc/60/24/09/480602409.db2.gz KUGXPRXRHJGFBZ-CYBMUJFWSA-N -1 0 348.428 2.667 20 30 EFEDRM C=C(C)COCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000634909564 480625176 /nfs/dbraw/zinc/62/51/76/480625176.db2.gz IZYWDPTYXPJTBY-KRWDZBQOSA-N -1 0 339.819 2.781 20 30 EFEDRM C=CCC1(NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)CCOCC1 ZINC000634927948 480641468 /nfs/dbraw/zinc/64/14/68/480641468.db2.gz BMXRUKYTTSEJNT-SFHVURJKSA-N -1 0 349.402 2.800 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000630318592 480668661 /nfs/dbraw/zinc/66/86/61/480668661.db2.gz JSCKUFWPEDNLSZ-LBPRGKRZSA-N -1 0 326.780 2.671 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000630317784 480668992 /nfs/dbraw/zinc/66/89/92/480668992.db2.gz AEZCCSAMHLQEGZ-DGCLKSJQSA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000630321039 480669548 /nfs/dbraw/zinc/66/95/48/480669548.db2.gz DUCNXBVWNVPINR-STQMWFEESA-N -1 0 325.311 2.622 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)[O-] ZINC000630319891 480669607 /nfs/dbraw/zinc/66/96/07/480669607.db2.gz KAWVSIKXRNKMAH-ZDUSSCGKSA-N -1 0 338.791 2.673 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1cccc(OCC(F)(F)F)c1)C(=O)[O-] ZINC000630319865 480669790 /nfs/dbraw/zinc/66/97/90/480669790.db2.gz JGEWLINTMIKFPK-ZDUSSCGKSA-N -1 0 345.317 2.706 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)C(=O)[O-] ZINC000630319967 480670075 /nfs/dbraw/zinc/67/00/75/480670075.db2.gz MAZGFVBBISIEIG-ZDUSSCGKSA-N -1 0 331.372 2.804 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000630324530 480671923 /nfs/dbraw/zinc/67/19/23/480671923.db2.gz FLLBPWBTYBUWHE-CABZTGNLSA-N -1 0 329.755 2.782 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000630327356 480672460 /nfs/dbraw/zinc/67/24/60/480672460.db2.gz ZVZMKLQIPIYLGF-BXUZGUMPSA-N -1 0 325.792 2.951 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000650436933 481094834 /nfs/dbraw/zinc/09/48/34/481094834.db2.gz AEIPSUQZENBFST-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653297078 481209081 /nfs/dbraw/zinc/20/90/81/481209081.db2.gz GZFJPLUPLHAJIE-GOSISDBHSA-N -1 0 343.383 2.744 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(CC(F)(F)F)c1C)C(=O)[O-] ZINC000648345102 481477768 /nfs/dbraw/zinc/47/77/68/481477768.db2.gz SIPGQKGMFUNDIA-LBPRGKRZSA-N -1 0 332.322 2.816 20 30 EFEDRM CSc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000647194899 481697539 /nfs/dbraw/zinc/69/75/39/481697539.db2.gz RAPLDZGWDLKUCU-LLVKDONJSA-N -1 0 327.413 2.611 20 30 EFEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1 ZINC000647379005 481792969 /nfs/dbraw/zinc/79/29/69/481792969.db2.gz UDSSPXVDBZGKSZ-ZDUSSCGKSA-N -1 0 343.408 2.931 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000654792108 482052662 /nfs/dbraw/zinc/05/26/62/482052662.db2.gz YPGDRDXVISRPLF-ZDUSSCGKSA-N -1 0 344.333 2.967 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000654792107 482053049 /nfs/dbraw/zinc/05/30/49/482053049.db2.gz YPGDRDXVISRPLF-CYBMUJFWSA-N -1 0 344.333 2.967 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@H](OC)c1ccccc1Cl)C(=O)[O-] ZINC000654805604 482058438 /nfs/dbraw/zinc/05/84/38/482058438.db2.gz GIYVHDPTCMXGKZ-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](OC)c1ccccc1Cl)C(=O)[O-] ZINC000654805607 482059305 /nfs/dbraw/zinc/05/93/05/482059305.db2.gz GIYVHDPTCMXGKZ-ZIAGYGMSSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@H](NC(=O)NC[C@@H]1CC[C@H](c2ccccc2)O1)C(=O)[O-] ZINC000649533446 482118753 /nfs/dbraw/zinc/11/87/53/482118753.db2.gz GWWOKKBDRDATNS-HRCADAONSA-N -1 0 332.400 2.625 20 30 EFEDRM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181146087 534182445 /nfs/dbraw/zinc/18/24/45/534182445.db2.gz RTTBMJYNZGBMAX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=CC[C@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425300382 534323911 /nfs/dbraw/zinc/32/39/11/534323911.db2.gz LDKWUWRHPZRVFN-GJZGRUSLSA-N -1 0 327.384 2.841 20 30 EFEDRM C=CCc1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000263376209 534409579 /nfs/dbraw/zinc/40/95/79/534409579.db2.gz WQODWUHKSAVQQP-WFASDCNBSA-N -1 0 347.411 2.615 20 30 EFEDRM C=CCc1ccc(OCC(=O)NC2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000262629324 534420776 /nfs/dbraw/zinc/42/07/76/534420776.db2.gz FIGJIGOMNUUFPS-UHFFFAOYSA-N -1 0 347.411 2.562 20 30 EFEDRM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195444298 519764766 /nfs/dbraw/zinc/76/47/66/519764766.db2.gz VXMSUGOBGWXBGS-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000362585381 534500299 /nfs/dbraw/zinc/50/02/99/534500299.db2.gz BLRZWTURHSUWRY-LLVKDONJSA-N -1 0 336.438 2.853 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)OCCO2 ZINC000042344586 520921093 /nfs/dbraw/zinc/92/10/93/520921093.db2.gz ACXPOLBUCPUIFF-FNORWQNLSA-N -1 0 325.386 2.557 20 30 EFEDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000048599824 521446186 /nfs/dbraw/zinc/44/61/86/521446186.db2.gz DZGQLZKIWVTMSV-UHFFFAOYSA-N -1 0 330.365 2.650 20 30 EFEDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183098677 523061117 /nfs/dbraw/zinc/06/11/17/523061117.db2.gz SJPCTZSORXRPDC-UHFFFAOYSA-N -1 0 325.777 2.871 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc2cc3c(cc2s1)OCCO3 ZINC000427763677 534746506 /nfs/dbraw/zinc/74/65/06/534746506.db2.gz KJZAXIBCXOKTPO-UHFFFAOYSA-N -1 0 340.426 2.775 20 30 EFEDRM C[C@H](CN(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000263016338 524285890 /nfs/dbraw/zinc/28/58/90/524285890.db2.gz ILMBVUNIOJPLHY-MRVPVSSYSA-N -1 0 345.277 2.641 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000262950623 534781302 /nfs/dbraw/zinc/78/13/02/534781302.db2.gz HGPXQJFFCGYITL-QMTHXVAHSA-N -1 0 341.791 2.572 20 30 EFEDRM C=CCC[C@@H](CO)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000412404259 534790345 /nfs/dbraw/zinc/79/03/45/534790345.db2.gz SADLNGLNPINJLD-VIFPVBQESA-N -1 0 348.624 2.865 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)[O-] ZINC000262857516 534794645 /nfs/dbraw/zinc/79/46/45/534794645.db2.gz IKTQDBRPTFTZAE-CYBMUJFWSA-N -1 0 338.791 2.673 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000263005273 534797287 /nfs/dbraw/zinc/79/72/87/534797287.db2.gz WRZRIOZVSYJCIH-OAHLLOKOSA-N -1 0 339.395 2.510 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C ZINC000120495659 524691901 /nfs/dbraw/zinc/69/19/01/524691901.db2.gz AQSFMTWGXMIUHC-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183079762 524999354 /nfs/dbraw/zinc/99/93/54/524999354.db2.gz BTITWHYFWSBTLP-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)ccc1[N+](=O)[O-] ZINC000180736706 525421773 /nfs/dbraw/zinc/42/17/73/525421773.db2.gz YRWHDVQWQQLYMF-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000180734862 525572199 /nfs/dbraw/zinc/57/21/99/525572199.db2.gz LDRUGYHHTKOYSQ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000262913938 534879767 /nfs/dbraw/zinc/87/97/67/534879767.db2.gz FNWKVSRKPYMOCZ-ZDUSSCGKSA-N -1 0 345.317 2.567 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000263152987 534879868 /nfs/dbraw/zinc/87/98/68/534879868.db2.gz XNSQMZNMODFKNF-LBPRGKRZSA-N -1 0 343.832 2.838 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000060800284 525795242 /nfs/dbraw/zinc/79/52/42/525795242.db2.gz KUYIBLUHVATOOL-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000114061539 526011433 /nfs/dbraw/zinc/01/14/33/526011433.db2.gz BGKRALLDGDJPMY-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000120672811 526531019 /nfs/dbraw/zinc/53/10/19/526531019.db2.gz QRRRUXCNHJJITE-UHFFFAOYSA-N -1 0 339.279 2.545 20 30 EFEDRM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000154255481 526623367 /nfs/dbraw/zinc/62/33/67/526623367.db2.gz WBEYNDXQZSBJSD-UHFFFAOYSA-N -1 0 336.335 2.562 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000262984407 526631378 /nfs/dbraw/zinc/63/13/78/526631378.db2.gz NQOPIRYUNLTYPW-ZOBUZTSGSA-N -1 0 344.436 2.503 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000180732271 526635124 /nfs/dbraw/zinc/63/51/24/526635124.db2.gz KJSPGIGVPYEIMT-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cscc2C)c1 ZINC000161594400 526659284 /nfs/dbraw/zinc/65/92/84/526659284.db2.gz YJCCLBJUDYXZIP-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174662728 526662020 /nfs/dbraw/zinc/66/20/20/526662020.db2.gz PAVFZVSEMORDMV-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)/N=c1\[n-]nc2ccccn21 ZINC000041837001 526733479 /nfs/dbraw/zinc/73/34/79/526733479.db2.gz ZRGDBXVEAFJFGN-UHFFFAOYSA-N -1 0 339.358 2.942 20 30 EFEDRM N#Cc1nc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)[n-]c1C#N ZINC000075939345 526787332 /nfs/dbraw/zinc/78/73/32/526787332.db2.gz GHYXZPGWLVWAAB-UHFFFAOYSA-N -1 0 344.743 2.775 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[n-]c1C#N ZINC000077612888 526787780 /nfs/dbraw/zinc/78/77/80/526787780.db2.gz RJDDPLJKJBJSMH-HTQZYQBOSA-N -1 0 329.722 2.688 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]c1C#N ZINC000077612889 526787892 /nfs/dbraw/zinc/78/78/92/526787892.db2.gz RJDDPLJKJBJSMH-JGVFFNPUSA-N -1 0 329.722 2.688 20 30 EFEDRM C=CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000175586634 527112626 /nfs/dbraw/zinc/11/26/26/527112626.db2.gz IOTTWMAHYRZLQV-UHFFFAOYSA-N -1 0 346.412 2.572 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 ZINC000050205284 527282934 /nfs/dbraw/zinc/28/29/34/527282934.db2.gz HOJKSTNXGWZVEI-STQMWFEESA-N -1 0 339.804 2.522 20 30 EFEDRM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000154174598 527570404 /nfs/dbraw/zinc/57/04/04/527570404.db2.gz YVRMEOBSLAZNJF-UHFFFAOYSA-N -1 0 336.438 2.807 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000048534824 527654228 /nfs/dbraw/zinc/65/42/28/527654228.db2.gz GQWCLTPSBYKLRS-UHFFFAOYSA-N -1 0 335.429 2.705 20 30 EFEDRM CC(C)OC(=O)[C@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000173989643 527847287 /nfs/dbraw/zinc/84/72/87/527847287.db2.gz RQDCIAJFFDNMEI-UHDDOIDHSA-N -1 0 328.752 2.960 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427100822 535696468 /nfs/dbraw/zinc/69/64/68/535696468.db2.gz OEFMVGISYMEZML-UHFFFAOYSA-N -1 0 345.355 2.769 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)oc2C)n1 ZINC000435775155 535728728 /nfs/dbraw/zinc/72/87/28/535728728.db2.gz YGKUZHVTTRSXJQ-LLVKDONJSA-N -1 0 329.337 2.583 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)n1 ZINC000354682642 535728907 /nfs/dbraw/zinc/72/89/07/535728907.db2.gz NYYGVTBADIYUAP-LLVKDONJSA-N -1 0 346.412 2.761 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(CC#N)c2)c1OC ZINC000362697932 536543618 /nfs/dbraw/zinc/54/36/18/536543618.db2.gz MOARKPGZNGTIFM-UHFFFAOYSA-N -1 0 340.335 2.720 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000352903902 536658030 /nfs/dbraw/zinc/65/80/30/536658030.db2.gz WYFNCEOGRZOWCB-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000316568478 545813004 /nfs/dbraw/zinc/81/30/04/545813004.db2.gz HDTZYUOSQWRNIG-AWEZNQCLSA-N -1 0 325.430 2.536 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)c1C#N ZINC000333536374 545883022 /nfs/dbraw/zinc/88/30/22/545883022.db2.gz YYQPWKMGTQYJIR-ZIUMLUTBSA-N -1 0 326.322 2.565 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)cc1 ZINC000656245668 546741896 /nfs/dbraw/zinc/74/18/96/546741896.db2.gz NDAFTSLVMGSJQQ-XIRDDKMYSA-N -1 0 347.411 2.640 20 30 EFEDRM C=CCCn1cc(CN[C@H](CC(=O)[O-])c2cccc(C)c2C)nn1 ZINC000656572440 546845892 /nfs/dbraw/zinc/84/58/92/546845892.db2.gz JSQMHMBRKIOFGG-QGZVFWFLSA-N -1 0 328.416 2.777 20 30 EFEDRM C=CCCNC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000656588517 546854708 /nfs/dbraw/zinc/85/47/08/546854708.db2.gz NEOJJCJRSFSZBL-UHFFFAOYSA-N -1 0 341.205 2.621 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000675987833 548387761 /nfs/dbraw/zinc/38/77/61/548387761.db2.gz SZHREMGHLIDPEF-FQEVSTJZSA-N -1 0 337.375 2.908 20 30 EFEDRM C=CCCOCC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000678991760 549033209 /nfs/dbraw/zinc/03/32/09/549033209.db2.gz ZOONMBMGWAEZJQ-CYBMUJFWSA-N -1 0 346.210 2.698 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000681557697 549566389 /nfs/dbraw/zinc/56/63/89/549566389.db2.gz DQHNHLBCDYKHMM-JTQLQIEISA-N -1 0 345.829 2.862 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)C(=O)[O-] ZINC000681579660 549570331 /nfs/dbraw/zinc/57/03/31/549570331.db2.gz QJRGRSPJHBCCGR-AWEZNQCLSA-N -1 0 349.408 2.546 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000683321755 549882652 /nfs/dbraw/zinc/88/26/52/549882652.db2.gz RHGKFNAQHQUABH-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753934844 575362362 /nfs/dbraw/zinc/36/23/62/575362362.db2.gz KRZVZHLYVRYSMC-RYUDHWBXSA-N -1 0 327.215 2.893 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000753975917 575369282 /nfs/dbraw/zinc/36/92/82/575369282.db2.gz HYIDOLBMUYTTIL-UHFFFAOYSA-N -1 0 330.384 2.694 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000753998847 575373154 /nfs/dbraw/zinc/37/31/54/575373154.db2.gz DNFDSQXDYGZZNO-KGLIPLIRSA-N -1 0 348.468 2.972 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2c(-n3ccnc3)nc3ccccn23)cc1 ZINC000755454658 575588406 /nfs/dbraw/zinc/58/84/06/575588406.db2.gz HWADRUFFBHAUTN-UHFFFAOYSA-N -1 0 346.350 2.664 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cnc([C@H]2CCCO2)s1 ZINC000755509937 575593638 /nfs/dbraw/zinc/59/36/38/575593638.db2.gz BEOWDCFBAOOSQX-SSDOTTSWSA-N -1 0 349.363 2.776 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cnc(C)s1)c1ccccc1 ZINC000755872483 575647824 /nfs/dbraw/zinc/64/78/24/575647824.db2.gz IRJQJCREIGPDQB-GFCCVEGCSA-N -1 0 336.438 2.616 20 30 EFEDRM O=C1Nc2cc(O)ccc2C1=N[N-]c1nc(C(F)(F)F)cs1 ZINC000755906318 575652892 /nfs/dbraw/zinc/65/28/92/575652892.db2.gz XJHLGICVNQBZBK-UHFFFAOYSA-N -1 0 328.275 2.636 20 30 EFEDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000756878756 575795870 /nfs/dbraw/zinc/79/58/70/575795870.db2.gz ILVDEOSSQGSQNI-GHMZBOCLSA-N -1 0 333.388 2.752 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000756898953 575798506 /nfs/dbraw/zinc/79/85/06/575798506.db2.gz JADXWMFRDSEXJK-UHFFFAOYSA-N -1 0 340.383 2.835 20 30 EFEDRM COCCOc1ccccc1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000756898750 575798569 /nfs/dbraw/zinc/79/85/69/575798569.db2.gz BDBMSGDPWQYJRX-UHFFFAOYSA-N -1 0 344.367 2.865 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2OC)cc(OC)c1 ZINC000756906253 575799669 /nfs/dbraw/zinc/79/96/69/575799669.db2.gz WZFIZWYTOBYZTD-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1nc(Cl)c(C=NNc2ccc(C(=O)[O-])cc2OC)s1 ZINC000756905446 575799674 /nfs/dbraw/zinc/79/96/74/575799674.db2.gz ABFCABSEFABZNZ-UHFFFAOYSA-N -1 0 341.776 2.958 20 30 EFEDRM CC(=NNC(=S)NCc1ccccc1)c1ccccc1C(=O)[O-] ZINC000757450646 575839710 /nfs/dbraw/zinc/83/97/10/575839710.db2.gz INNBEQDBJDIGPD-UHFFFAOYSA-N -1 0 327.409 2.773 20 30 EFEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1)C(=O)[O-] ZINC000757467886 575839794 /nfs/dbraw/zinc/83/97/94/575839794.db2.gz NZHJHFVXUCQXOY-XOIDGJRKSA-N -1 0 328.320 2.846 20 30 EFEDRM COc1ccc(O)c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000757467735 575839895 /nfs/dbraw/zinc/83/98/95/575839895.db2.gz JCNJDXYJAPBOBP-XBXARRHUSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1ccc(O)c(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000757467380 575839944 /nfs/dbraw/zinc/83/99/44/575839944.db2.gz DRULZPDXCALCDL-FNORWQNLSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000757472071 575840032 /nfs/dbraw/zinc/84/00/32/575840032.db2.gz KXTWFUDKRSIDSI-BJMVGYQFSA-N -1 0 332.377 2.700 20 30 EFEDRM CC(=Nn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758120418 575860243 /nfs/dbraw/zinc/86/02/43/575860243.db2.gz QWUJQWKOYCPIGA-UHFFFAOYSA-N -1 0 325.122 2.532 20 30 EFEDRM C[C@@H]1CCCCN1C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000758423398 575869387 /nfs/dbraw/zinc/86/93/87/575869387.db2.gz GCQDYWJXAZENNM-CYBMUJFWSA-N -1 0 332.448 2.743 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(CC#N)cc2)n1 ZINC000758689327 575875616 /nfs/dbraw/zinc/87/56/16/575875616.db2.gz KGVNHJAFXMZPFU-CQSZACIVSA-N -1 0 339.376 2.551 20 30 EFEDRM CCO[C@@H]1COCC[C@H]1/N=C\c1cc(Br)ccc1O ZINC000758815377 575877822 /nfs/dbraw/zinc/87/78/22/575877822.db2.gz KRIILNLFMVXMMK-JBAHZQCYSA-N -1 0 328.206 2.768 20 30 EFEDRM CCc1c2ccccc2oc1C(=O)/C=C\c1cn(CC(=O)[O-])nn1 ZINC000759075257 575884108 /nfs/dbraw/zinc/88/41/08/575884108.db2.gz KLYMEQLAYLUWFM-FPLPWBNLSA-N -1 0 325.324 2.567 20 30 EFEDRM COC(=O)c1ccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759091729 575884440 /nfs/dbraw/zinc/88/44/40/575884440.db2.gz SIQAORGUKUPIQT-YWEYNIOJSA-N -1 0 327.292 2.983 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H](C)C1CC1 ZINC000759229734 575887363 /nfs/dbraw/zinc/88/73/63/575887363.db2.gz BLRFAQBCAMCYIR-NOZJJQNGSA-N -1 0 330.384 2.746 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1CC=CC1 ZINC000759232308 575887380 /nfs/dbraw/zinc/88/73/80/575887380.db2.gz QWDWEGRLBKNBQJ-ZDUSSCGKSA-N -1 0 328.368 2.666 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(F)c([O-])c(F)c1 ZINC000759545505 575898152 /nfs/dbraw/zinc/89/81/52/575898152.db2.gz XBKGKWQBUQDYGR-SNVBAGLBSA-N -1 0 327.327 2.640 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000759718362 575925852 /nfs/dbraw/zinc/92/58/52/575925852.db2.gz UOUFGCWSHNRWCG-QGZVFWFLSA-N -1 0 332.363 2.743 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]c1C1CC1 ZINC000760318381 576004328 /nfs/dbraw/zinc/00/43/28/576004328.db2.gz DRDYKIYVWUMAKU-UHFFFAOYSA-N -1 0 336.804 2.921 20 30 EFEDRM N#CC(=C([O-])c1c[nH]c(=S)n1-c1ccc(F)cc1)c1ccncn1 ZINC000760346183 576008707 /nfs/dbraw/zinc/00/87/07/576008707.db2.gz QAACSHWQNNMQFZ-LBPRGKRZSA-N -1 0 339.355 2.580 20 30 EFEDRM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)o1 ZINC000760347564 576009194 /nfs/dbraw/zinc/00/91/94/576009194.db2.gz WMPFWAIFIHGACY-GFCCVEGCSA-N -1 0 342.355 2.584 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000760361083 576012063 /nfs/dbraw/zinc/01/20/63/576012063.db2.gz KZJASIQYWRFOIV-UHFFFAOYSA-N -1 0 326.374 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3sccc3c2)cc1 ZINC000761006065 576100010 /nfs/dbraw/zinc/10/00/10/576100010.db2.gz YMNFXPNVIGFQIX-UHFFFAOYSA-N -1 0 342.401 2.892 20 30 EFEDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000761159348 576122738 /nfs/dbraw/zinc/12/27/38/576122738.db2.gz SCRURXZKIKEUGZ-UHFFFAOYSA-N -1 0 326.805 2.597 20 30 EFEDRM COC(=O)[C@H](CC(F)F)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761180028 576126064 /nfs/dbraw/zinc/12/60/64/576126064.db2.gz GYSGEKSUMJMFHK-DLZSFMAOSA-N -1 0 336.678 2.570 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000761293122 576141404 /nfs/dbraw/zinc/14/14/04/576141404.db2.gz MMCXCPSJEMDBOG-KRWDZBQOSA-N -1 0 343.404 2.736 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000761294181 576141408 /nfs/dbraw/zinc/14/14/08/576141408.db2.gz WCVYMVDQLQYNKO-OAHLLOKOSA-N -1 0 347.367 2.567 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000761293123 576141445 /nfs/dbraw/zinc/14/14/45/576141445.db2.gz MMCXCPSJEMDBOG-QGZVFWFLSA-N -1 0 343.404 2.736 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762024749 576245254 /nfs/dbraw/zinc/24/52/54/576245254.db2.gz QWQIAIUUOHFJDQ-SJORKVTESA-N -1 0 328.412 2.819 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762024747 576245348 /nfs/dbraw/zinc/24/53/48/576245348.db2.gz QWQIAIUUOHFJDQ-IAGOWNOFSA-N -1 0 328.412 2.819 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762033671 576246646 /nfs/dbraw/zinc/24/66/46/576246646.db2.gz DNOZIDWRNSYYEI-DOTOQJQBSA-N -1 0 326.396 2.572 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CCc1ccc(Br)cc1F ZINC000762048441 576249030 /nfs/dbraw/zinc/24/90/30/576249030.db2.gz WMFBMGXMOMPBNX-UHFFFAOYSA-N -1 0 344.180 2.620 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000762047244 576249147 /nfs/dbraw/zinc/24/91/47/576249147.db2.gz GVDFBLQKHKVCBI-UHFFFAOYSA-N -1 0 334.372 2.746 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2cc(OC)ccc2c1 ZINC000762067697 576252825 /nfs/dbraw/zinc/25/28/25/576252825.db2.gz XJSJBDKWKNEPET-WEVVVXLNSA-N -1 0 325.364 2.961 20 30 EFEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000763252701 576369697 /nfs/dbraw/zinc/36/96/97/576369697.db2.gz QMUZBTQIYWMVCM-UHFFFAOYSA-N -1 0 349.799 2.804 20 30 EFEDRM O=C([O-])c1ccc(N=NCc2ccc(OC(F)F)c(F)c2)nc1 ZINC000763367599 576374422 /nfs/dbraw/zinc/37/44/22/576374422.db2.gz CQVYKNWBPBVAEO-UHFFFAOYSA-N -1 0 325.246 2.966 20 30 EFEDRM COc1ccc(N2CCC(N=Nc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000763368006 576374435 /nfs/dbraw/zinc/37/44/35/576374435.db2.gz ILGZJACQTWIVSK-UHFFFAOYSA-N -1 0 340.383 2.857 20 30 EFEDRM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cnn1-c1ccccn1 ZINC000763369849 576374574 /nfs/dbraw/zinc/37/45/74/576374574.db2.gz YEMVDXJFKYUHPC-UHFFFAOYSA-N -1 0 336.355 2.505 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCC(C)(C)OC)c1ccccc1 ZINC000764291435 576446650 /nfs/dbraw/zinc/44/66/50/576446650.db2.gz FRNFENDDEMOJHY-AWEZNQCLSA-N -1 0 339.457 2.607 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)CCC(C)(C)OC)c1ccccc1 ZINC000764291436 576446706 /nfs/dbraw/zinc/44/67/06/576446706.db2.gz FRNFENDDEMOJHY-CQSZACIVSA-N -1 0 339.457 2.607 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCCc2ccccc2F)c1)C(=O)[O-] ZINC000764722934 576494423 /nfs/dbraw/zinc/49/44/23/576494423.db2.gz OWRSFCLYGQXCBD-CYBMUJFWSA-N -1 0 330.359 2.844 20 30 EFEDRM O=C([O-])COc1cccc(C=NNCc2cnc3ccccc3c2)c1 ZINC000764779282 576502516 /nfs/dbraw/zinc/50/25/16/576502516.db2.gz QOJWKDYRIUUEHK-UHFFFAOYSA-N -1 0 335.363 2.822 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CCC(C)CC1 ZINC000764791813 576504229 /nfs/dbraw/zinc/50/42/29/576504229.db2.gz WGBIPSOQDQSJRG-RUXDESIVSA-N -1 0 328.478 2.835 20 30 EFEDRM C=CCN1C(=O)C(=Cc2n[nH]c3cc(C(=O)[O-])ccc23)SC1=S ZINC000765498492 577047286 /nfs/dbraw/zinc/04/72/86/577047286.db2.gz DIDZXSWMXSSVRI-KPKJPENVSA-N -1 0 345.405 2.648 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccc([N+](=O)[O-])cc1 ZINC000765544054 577053043 /nfs/dbraw/zinc/05/30/43/577053043.db2.gz RGJCFOHDSRXWCY-UHFFFAOYSA-N -1 0 325.284 2.615 20 30 EFEDRM O=C([N-]CCOCC(F)(F)C(F)F)C(F)(F)c1ccc(F)cc1 ZINC000765728284 577070890 /nfs/dbraw/zinc/07/08/90/577070890.db2.gz GACDSPMZYPGLEX-UHFFFAOYSA-N -1 0 347.230 2.951 20 30 EFEDRM CCCn1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)nn1 ZINC000766617739 577171502 /nfs/dbraw/zinc/17/15/02/577171502.db2.gz NJRLMXFVLXYYOF-CYBMUJFWSA-N -1 0 335.367 2.683 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccn(-c2ccccc2)n1 ZINC000766683114 577176824 /nfs/dbraw/zinc/17/68/24/577176824.db2.gz SZDYHPGGYSEENU-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccn(-c2ccccc2)n1 ZINC000766692746 577177767 /nfs/dbraw/zinc/17/77/67/577177767.db2.gz JTGLEXIKHKXOQG-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM C=CCc1cc(C(=O)N[C@](C)(CC)CC(=O)[O-])cc(OC)c1OC ZINC000767050852 577194152 /nfs/dbraw/zinc/19/41/52/577194152.db2.gz FPCMYGOQTIGDMX-GOSISDBHSA-N -1 0 335.400 2.806 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cnc1Cl ZINC000767464402 577209331 /nfs/dbraw/zinc/20/93/31/577209331.db2.gz WXDMLOBPLFRNOV-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cnn(-c2ccccc2)c1 ZINC000725753211 577217434 /nfs/dbraw/zinc/21/74/34/577217434.db2.gz JOSHZKJWGITWLV-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM CN(CCC(=O)[O-])C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000737991972 577230679 /nfs/dbraw/zinc/23/06/79/577230679.db2.gz XHJKIZNBCQGDPI-UHFFFAOYSA-N -1 0 338.363 2.684 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)nn1CCC#N ZINC000768052884 577251619 /nfs/dbraw/zinc/25/16/19/577251619.db2.gz FXULAJGLPKQAGL-UHFFFAOYSA-N -1 0 344.440 2.785 20 30 EFEDRM Cc1nc2sccn2c1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725858443 577253075 /nfs/dbraw/zinc/25/30/75/577253075.db2.gz JVAUHXNQKGDBGA-UHFFFAOYSA-N -1 0 341.421 2.585 20 30 EFEDRM COc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc(OC)c1 ZINC000725859074 577253364 /nfs/dbraw/zinc/25/33/64/577253364.db2.gz KFEMUZZNBUFIRC-UHFFFAOYSA-N -1 0 341.392 2.585 20 30 EFEDRM N#C[C@H](NC(=O)CCCNC(=O)[O-])c1c(Cl)cccc1Cl ZINC000739073938 577264775 /nfs/dbraw/zinc/26/47/75/577264775.db2.gz GEOGAMXVVJUQFH-JTQLQIEISA-N -1 0 330.171 2.722 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000739077133 577267951 /nfs/dbraw/zinc/26/79/51/577267951.db2.gz IPDMPMKQUCBKQL-WDEREUQCSA-N -1 0 327.167 2.534 20 30 EFEDRM O=S(=O)(Cc1ccccc1)NN=Cc1cc(Cl)cc(F)c1[O-] ZINC000768361875 577268481 /nfs/dbraw/zinc/26/84/81/577268481.db2.gz XTNIVKDORCZLBM-UHFFFAOYSA-N -1 0 342.779 2.638 20 30 EFEDRM CCC(=NN1CC(=O)N(C)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000768380662 577270277 /nfs/dbraw/zinc/27/02/77/577270277.db2.gz XBLGPIXOPXFIFX-UHFFFAOYSA-N -1 0 330.171 2.707 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)ccc2O)C(=O)[O-])cc1 ZINC000739116096 577282228 /nfs/dbraw/zinc/28/22/28/577282228.db2.gz ZJARWDYUHOUXIA-CQSZACIVSA-N -1 0 331.711 2.900 20 30 EFEDRM N#Cc1ccc([C@@H](Sc2nnc(N3CCCC3)s2)C(=O)[O-])cc1 ZINC000739117018 577282333 /nfs/dbraw/zinc/28/23/33/577282333.db2.gz HLVQKUKWSJNKTR-GFCCVEGCSA-N -1 0 346.437 2.928 20 30 EFEDRM N#Cc1ccc(Oc2cccc(C(=O)OCCNC(=O)[O-])c2)cc1 ZINC000739129964 577284065 /nfs/dbraw/zinc/28/40/65/577284065.db2.gz IJIWRHAFJYTAMX-UHFFFAOYSA-N -1 0 326.308 2.775 20 30 EFEDRM Cc1noc(C)c1[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738942251 577320957 /nfs/dbraw/zinc/32/09/57/577320957.db2.gz YXQPVJVKAOUGDD-VFZGTOFNSA-N -1 0 328.324 2.636 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](F)c2ccccc2)n1 ZINC000769170428 577341243 /nfs/dbraw/zinc/34/12/43/577341243.db2.gz XTOLMNMUNKNSSY-OCCSQVGLSA-N -1 0 332.356 2.882 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000769544836 577371535 /nfs/dbraw/zinc/37/15/35/577371535.db2.gz JGCUXHPJKHDKDF-LOWQCSRCSA-N -1 0 347.411 2.889 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2coc(C3CCC3)n2)n1 ZINC000769623931 577375834 /nfs/dbraw/zinc/37/58/34/577375834.db2.gz OFUUYTASOUUUIX-LLVKDONJSA-N -1 0 345.380 2.740 20 30 EFEDRM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000726737787 577382099 /nfs/dbraw/zinc/38/20/99/577382099.db2.gz DNNKPLWNFZCVTA-UHFFFAOYSA-N -1 0 337.314 2.952 20 30 EFEDRM Cc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c(C)[nH]1 ZINC000769813254 577387195 /nfs/dbraw/zinc/38/71/95/577387195.db2.gz QRFUDJIEEMGEIH-UHFFFAOYSA-N -1 0 327.392 2.678 20 30 EFEDRM N#Cc1ccc(CNN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000769820896 577387879 /nfs/dbraw/zinc/38/78/79/577387879.db2.gz PUAOWDPJIXNTJG-UHFFFAOYSA-N -1 0 330.731 2.949 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C#N)cc1C ZINC000738313516 577392026 /nfs/dbraw/zinc/39/20/26/577392026.db2.gz LOXKFQVPRWSNTH-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000738320421 577395512 /nfs/dbraw/zinc/39/55/12/577395512.db2.gz SHDOLDXNXDGBEL-UHFFFAOYSA-N -1 0 332.356 2.913 20 30 EFEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1)C(C)C ZINC000770096296 577401848 /nfs/dbraw/zinc/40/18/48/577401848.db2.gz JPXOTBYVGHXHIZ-KRWDZBQOSA-N -1 0 327.428 2.866 20 30 EFEDRM CN(C)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1F ZINC000770099459 577402045 /nfs/dbraw/zinc/40/20/45/577402045.db2.gz NTZUZOIAYRAUOP-OAHLLOKOSA-N -1 0 339.370 2.531 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000770568857 581111273 /nfs/dbraw/zinc/11/12/73/581111273.db2.gz QNYACTSZXGEVLQ-PMULOYFNSA-N -1 0 340.763 2.711 20 30 EFEDRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770869224 581143868 /nfs/dbraw/zinc/14/38/68/581143868.db2.gz UTKCYJXCSZDOSV-LBPRGKRZSA-N -1 0 325.299 2.819 20 30 EFEDRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770869223 581143871 /nfs/dbraw/zinc/14/38/71/581143871.db2.gz UTKCYJXCSZDOSV-GFCCVEGCSA-N -1 0 325.299 2.819 20 30 EFEDRM C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC(C)(C)C1 ZINC000771074208 581171653 /nfs/dbraw/zinc/17/16/53/581171653.db2.gz AKXBUNVQVCJURP-KBPBESRZSA-N -1 0 340.489 2.979 20 30 EFEDRM CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771073442 581171655 /nfs/dbraw/zinc/17/16/55/581171655.db2.gz AGCOFJDVCGQOGQ-CYBMUJFWSA-N -1 0 334.441 2.954 20 30 EFEDRM C[C@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771076007 581171992 /nfs/dbraw/zinc/17/19/92/581171992.db2.gz KVYXZZKKYCQNJR-OAHLLOKOSA-N -1 0 348.468 2.785 20 30 EFEDRM C[C@@H](CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771076005 581172013 /nfs/dbraw/zinc/17/20/13/581172013.db2.gz KVYXZZKKYCQNJR-HNNXBMFYSA-N -1 0 348.468 2.785 20 30 EFEDRM C[C@H](CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771077672 581172228 /nfs/dbraw/zinc/17/22/28/581172228.db2.gz GKMLYYJSLIXFEF-CQSZACIVSA-N -1 0 334.441 2.710 20 30 EFEDRM CC(C)(CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000771077742 581172252 /nfs/dbraw/zinc/17/22/52/581172252.db2.gz GUDSHGNEYULNGM-UHFFFAOYSA-N -1 0 348.468 2.884 20 30 EFEDRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C(C)C ZINC000771079703 581172508 /nfs/dbraw/zinc/17/25/08/581172508.db2.gz WYXPOSRGFVABGW-CQSZACIVSA-N -1 0 328.478 2.979 20 30 EFEDRM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCC(C)CC1 ZINC000771079739 581172518 /nfs/dbraw/zinc/17/25/18/581172518.db2.gz JXCLZYIIDBIBIW-NRXISQOPSA-N -1 0 340.489 2.979 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc3ccsc32)CCC1 ZINC000771079565 581172567 /nfs/dbraw/zinc/17/25/67/581172567.db2.gz SZNPYGOFPPTDHE-UHFFFAOYSA-N -1 0 334.422 2.655 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=C2CCSCC2)n1 ZINC000772137512 581287386 /nfs/dbraw/zinc/28/73/86/581287386.db2.gz SPODQBYPLUEXQH-GFCCVEGCSA-N -1 0 336.438 2.624 20 30 EFEDRM COC1(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)CCCCC1 ZINC000772448994 581324359 /nfs/dbraw/zinc/32/43/59/581324359.db2.gz ZNLPGQDUXMFUPE-GFCCVEGCSA-N -1 0 336.413 2.520 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C2CCSCC2)n1 ZINC000772643626 581351005 /nfs/dbraw/zinc/35/10/05/581351005.db2.gz DVPSBJUNOPMLPW-LLVKDONJSA-N -1 0 336.438 2.949 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000772713388 581358851 /nfs/dbraw/zinc/35/88/51/581358851.db2.gz PFGSKOICIGRUPW-AWEZNQCLSA-N -1 0 346.452 2.960 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000772713762 581358938 /nfs/dbraw/zinc/35/89/38/581358938.db2.gz WYGIILJVOIKDMC-CSKARUKUSA-N -1 0 333.331 2.741 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000772715490 581359253 /nfs/dbraw/zinc/35/92/53/581359253.db2.gz NSPGFRLCHXAYBJ-UHFFFAOYSA-N -1 0 337.441 2.597 20 30 EFEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000773151421 581401104 /nfs/dbraw/zinc/40/11/04/581401104.db2.gz WOEVFUHGTDHJJI-CXUHLZMHSA-N -1 0 334.331 2.904 20 30 EFEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(OCCC(=O)[O-])cc1 ZINC000773151425 581401133 /nfs/dbraw/zinc/40/11/33/581401133.db2.gz WOEVFUHGTDHJJI-SXGWCWSVSA-N -1 0 334.331 2.904 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1 ZINC000774050298 581480550 /nfs/dbraw/zinc/48/05/50/581480550.db2.gz FPCTWGFRSBUPSB-GFCCVEGCSA-N -1 0 340.335 2.842 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000774052119 581480562 /nfs/dbraw/zinc/48/05/62/581480562.db2.gz HJHKERLPKCGLIN-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cn(CCCC#N)c2ccccc12 ZINC000774054168 581480670 /nfs/dbraw/zinc/48/06/70/581480670.db2.gz QVMQVCJOGOBYPG-OAHLLOKOSA-N -1 0 334.379 2.570 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C1CC1 ZINC000774056517 581480862 /nfs/dbraw/zinc/48/08/62/581480862.db2.gz SXWXMPPATOOKRR-MRXNPFEDSA-N -1 0 326.396 2.954 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)sc1C ZINC000774261445 581488325 /nfs/dbraw/zinc/48/83/25/581488325.db2.gz YTNDEZHKXTUDCQ-NSHDSACASA-N -1 0 349.362 2.677 20 30 EFEDRM N#CC(=C([O-])c1sccc1-c1nn[nH]n1)c1nc2ccccc2o1 ZINC000737673313 599027442 /nfs/dbraw/zinc/02/74/42/599027442.db2.gz PFDOPDNUYQDROL-VIFPVBQESA-N -1 0 336.336 2.559 20 30 EFEDRM N#CC(=C([O-])c1sccc1-c1nn[nH]n1)c1ccc2ccccc2n1 ZINC000737673873 599027521 /nfs/dbraw/zinc/02/75/21/599027521.db2.gz SFISMNFMYCSNCY-GFCCVEGCSA-N -1 0 346.375 2.966 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(C)c(F)c(C)c2)o1 ZINC000735451151 599066838 /nfs/dbraw/zinc/06/68/38/599066838.db2.gz QKTXAHJSRWKDKE-UHFFFAOYSA-N -1 0 329.339 2.755 20 30 EFEDRM N#CCSCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000739091698 599799625 /nfs/dbraw/zinc/79/96/25/599799625.db2.gz JTCPXRIDDALWAC-UHFFFAOYSA-N -1 0 348.302 2.521 20 30 EFEDRM C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1[C@H]1COc2ccccc2O1 ZINC000738503991 597049662 /nfs/dbraw/zinc/04/96/62/597049662.db2.gz WXVJTGDWACWKBE-GXFFZTMASA-N -1 0 347.396 2.542 20 30 EFEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)CSCC(=O)[O-] ZINC000740323055 597086719 /nfs/dbraw/zinc/08/67/19/597086719.db2.gz HERBAVMLTGBODM-UHFFFAOYSA-N -1 0 330.365 2.502 20 30 EFEDRM N#Cc1cccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cn2)c1 ZINC000740323621 597087071 /nfs/dbraw/zinc/08/70/71/597087071.db2.gz RDUNFCFLQDIFLT-UHFFFAOYSA-N -1 0 343.364 2.502 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-] ZINC000738991636 597318442 /nfs/dbraw/zinc/31/84/42/597318442.db2.gz UYYBBELQSHAWTD-NSHDSACASA-N -1 0 325.324 2.945 20 30 EFEDRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000817762465 597459908 /nfs/dbraw/zinc/45/99/08/597459908.db2.gz MYELWWVFVYRNPH-CYBMUJFWSA-N -1 0 338.363 2.682 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000819865910 597603703 /nfs/dbraw/zinc/60/37/03/597603703.db2.gz PUZVESIBWVVNNP-CYBMUJFWSA-N -1 0 340.261 2.525 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC000821008825 597605042 /nfs/dbraw/zinc/60/50/42/597605042.db2.gz OGLBCIRKYSJJJJ-SFHVURJKSA-N -1 0 346.383 2.893 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000819835239 597605872 /nfs/dbraw/zinc/60/58/72/597605872.db2.gz UKHHTKRHTPTZLQ-OAHLLOKOSA-N -1 0 338.766 2.631 20 30 EFEDRM Cc1cc(C)cc(C2=CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)c1 ZINC000820968054 597608583 /nfs/dbraw/zinc/60/85/83/597608583.db2.gz IXSLDBSRHQGNAG-LJQANCHMSA-N -1 0 326.396 2.924 20 30 EFEDRM Cc1ccccc1-c1noc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000821120154 597614823 /nfs/dbraw/zinc/61/48/23/597614823.db2.gz PEFRFQQJKQZZPT-PIGZYNQJSA-N -1 0 343.339 2.654 20 30 EFEDRM Cc1ccc(-c2cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])on2)cc1 ZINC000821052252 597616111 /nfs/dbraw/zinc/61/61/11/597616111.db2.gz LZCPTXLBOWCITG-KRWDZBQOSA-N -1 0 328.324 2.698 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(Br)s1 ZINC000819874206 597616673 /nfs/dbraw/zinc/61/66/73/597616673.db2.gz IYEOFLSLGLZINO-NSHDSACASA-N -1 0 332.175 2.558 20 30 EFEDRM Cc1ccc(-c2nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cs2)o1 ZINC000821052677 597617784 /nfs/dbraw/zinc/61/77/84/597617784.db2.gz SOTWIFLCLVKHKZ-OAHLLOKOSA-N -1 0 334.353 2.759 20 30 EFEDRM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C ZINC000820968061 597617957 /nfs/dbraw/zinc/61/79/57/597617957.db2.gz JKALKBMGSSLMIA-ACJLOTCBSA-N -1 0 331.368 2.731 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)c(Br)c1 ZINC000819874904 597620922 /nfs/dbraw/zinc/62/09/22/597620922.db2.gz SMQRFDAMCFUCKU-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccccc1Oc1cccnc1 ZINC000819875457 597623463 /nfs/dbraw/zinc/62/34/63/597623463.db2.gz XEYHBZVDHULMDS-GOSISDBHSA-N -1 0 340.335 2.922 20 30 EFEDRM Cc1ccc(-c2nnc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052009 597624285 /nfs/dbraw/zinc/62/42/85/597624285.db2.gz GZTXPPAOQYHSHE-GTNSWQLSSA-N -1 0 343.339 2.654 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(F)c2)n1 ZINC000819873743 597624892 /nfs/dbraw/zinc/62/48/92/597624892.db2.gz CPYUXQMPWKWZSU-INIZCTEOSA-N -1 0 332.287 2.528 20 30 EFEDRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820161673 597625018 /nfs/dbraw/zinc/62/50/18/597625018.db2.gz QXPXDWUSPLKILV-XIKOKIGWSA-N -1 0 331.368 2.929 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000819875486 597625067 /nfs/dbraw/zinc/62/50/67/597625067.db2.gz XLHGXIDGEVLQID-INIZCTEOSA-N -1 0 348.355 2.997 20 30 EFEDRM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602191 597631878 /nfs/dbraw/zinc/63/18/78/597631878.db2.gz LSLVCAIGEIPCSX-AWEZNQCLSA-N -1 0 344.289 2.548 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000820114509 597648791 /nfs/dbraw/zinc/64/87/91/597648791.db2.gz OLUFGWIASQHZRV-GTNSWQLSSA-N -1 0 327.340 2.523 20 30 EFEDRM CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)n1 ZINC000820061570 597650215 /nfs/dbraw/zinc/65/02/15/597650215.db2.gz KUIQVGJBGGGYLN-SJKOYZFVSA-N -1 0 349.456 2.977 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000819822472 597712450 /nfs/dbraw/zinc/71/24/50/597712450.db2.gz OBQGXXLEXVRVGY-LEHRNKBSSA-N -1 0 332.375 2.973 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1cccc(C(=O)[O-])c1 ZINC000820733133 597818179 /nfs/dbraw/zinc/81/81/79/597818179.db2.gz QBNXAOVNIUYCRF-UHFFFAOYSA-N -1 0 326.352 2.894 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cccc(C(=O)[O-])c1 ZINC000821320471 598148722 /nfs/dbraw/zinc/14/87/22/598148722.db2.gz QJAWUBZALZPLFR-GFCCVEGCSA-N -1 0 342.738 2.999 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)CSCC(=O)[O-])cc1 ZINC000821340670 598165091 /nfs/dbraw/zinc/16/50/91/598165091.db2.gz WBYIARVRUGMCOS-UHFFFAOYSA-N -1 0 340.404 2.659 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000819846715 598221413 /nfs/dbraw/zinc/22/14/13/598221413.db2.gz GAYBZWSPAFYMMR-GFCCVEGCSA-N -1 0 329.125 2.531 20 30 EFEDRM Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1Br ZINC000821008368 598221693 /nfs/dbraw/zinc/22/16/93/598221693.db2.gz BSCHCAZALFFPSE-CYBMUJFWSA-N -1 0 325.162 2.701 20 30 EFEDRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820602060 598222158 /nfs/dbraw/zinc/22/21/58/598222158.db2.gz BIVAELZKFWGMPY-AWEZNQCLSA-N -1 0 329.183 2.956 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819713262 598222274 /nfs/dbraw/zinc/22/22/74/598222274.db2.gz FRKWGPYWFCETJP-AWEZNQCLSA-N -1 0 326.805 2.921 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000819866379 598222345 /nfs/dbraw/zinc/22/23/45/598222345.db2.gz WGABVJQKMIANQN-INIZCTEOSA-N -1 0 329.381 2.677 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000819848281 598222564 /nfs/dbraw/zinc/22/25/64/598222564.db2.gz RSGIVPXHVCRSPP-IBGZPJMESA-N -1 0 348.362 2.969 20 30 EFEDRM Cc1cc(C)n(-c2ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)n1 ZINC000820972593 598222784 /nfs/dbraw/zinc/22/27/84/598222784.db2.gz QENSDTHILKBRKQ-GOSISDBHSA-N -1 0 341.367 2.537 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000819875383 598223178 /nfs/dbraw/zinc/22/31/78/598223178.db2.gz WFVIPAHQXPVVRF-KRWDZBQOSA-N -1 0 326.308 2.784 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000819856513 598223917 /nfs/dbraw/zinc/22/39/17/598223917.db2.gz JEHAIXOKSNLDLZ-GOSISDBHSA-N -1 0 339.351 2.604 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000819866432 598223947 /nfs/dbraw/zinc/22/39/47/598223947.db2.gz WVADZCBCADEEGM-INIZCTEOSA-N -1 0 347.371 2.816 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1OC1CCCC1 ZINC000819842369 598224400 /nfs/dbraw/zinc/22/44/00/598224400.db2.gz OEEFRFNDSFAEOI-SFHVURJKSA-N -1 0 330.384 2.629 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000819856731 598224403 /nfs/dbraw/zinc/22/44/03/598224403.db2.gz MOPIQUGDZPWYPX-KRWDZBQOSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000820115667 598224995 /nfs/dbraw/zinc/22/49/95/598224995.db2.gz ZAPTYTIBBUAMLJ-OTYXRUKQSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000820115666 598225022 /nfs/dbraw/zinc/22/50/22/598225022.db2.gz ZAPTYTIBBUAMLJ-LKFCYVNXSA-N -1 0 328.290 2.887 20 30 EFEDRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@](C)(C#N)CC(=O)[O-])nc2c1 ZINC000821103715 598225995 /nfs/dbraw/zinc/22/59/95/598225995.db2.gz MWMBDIVBOQAGAX-RDTXWAMCSA-N -1 0 340.383 2.539 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000819820858 598226039 /nfs/dbraw/zinc/22/60/39/598226039.db2.gz ACCCRCNMBMYSNS-IXPVHAAZSA-N -1 0 340.301 2.682 20 30 EFEDRM CC(C)(C)OCc1cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000819927459 598226361 /nfs/dbraw/zinc/22/63/61/598226361.db2.gz IUXYVJVCQQXITK-SFHVURJKSA-N -1 0 332.400 2.622 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819874749 598227007 /nfs/dbraw/zinc/22/70/07/598227007.db2.gz QEECTZWGYJGNFQ-ZBEGNZNMSA-N -1 0 331.397 2.881 20 30 EFEDRM COc1cccc(C2(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC2)c1 ZINC000820865631 598227111 /nfs/dbraw/zinc/22/71/11/598227111.db2.gz VJCMMFFQSZKYLO-SFHVURJKSA-N -1 0 344.411 2.628 20 30 EFEDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820107289 598227283 /nfs/dbraw/zinc/22/72/83/598227283.db2.gz GDOQVHWDMVOQMS-MEBBXXQBSA-N -1 0 342.317 2.757 20 30 EFEDRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820696852 598228214 /nfs/dbraw/zinc/22/82/14/598228214.db2.gz LYIDPQABWUBSCT-FSBGKCOPSA-N -1 0 338.791 2.537 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000819811487 598228604 /nfs/dbraw/zinc/22/86/04/598228604.db2.gz PPGLTSKTXCNNEJ-SFHVURJKSA-N -1 0 336.432 2.579 20 30 EFEDRM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000821075895 598229093 /nfs/dbraw/zinc/22/90/93/598229093.db2.gz LJJAUUQMJKOACX-AYBZRNKSSA-N -1 0 344.411 2.584 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000819857427 598229117 /nfs/dbraw/zinc/22/91/17/598229117.db2.gz XIAWBGIKTSSYEP-QGZVFWFLSA-N -1 0 325.324 2.817 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000820113946 598229225 /nfs/dbraw/zinc/22/92/25/598229225.db2.gz IWMPLDBJRSDYQW-DJJJIMSYSA-N -1 0 337.379 2.930 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(F)cc(Br)c1 ZINC000819873807 598229481 /nfs/dbraw/zinc/22/94/81/598229481.db2.gz DEQYGCGCCMMNJT-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Oc1ccccc1Cl ZINC000820278221 598229567 /nfs/dbraw/zinc/22/95/67/598229567.db2.gz JYCKIHGKBMMCNT-BDJLRTHQSA-N -1 0 338.791 2.618 20 30 EFEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC000820160444 598229759 /nfs/dbraw/zinc/22/97/59/598229759.db2.gz DPOQTNPDJQBJQG-XXFAHNHDSA-N -1 0 349.774 2.835 20 30 EFEDRM CCc1noc(-c2ccc(C)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)n1 ZINC000820503863 598229923 /nfs/dbraw/zinc/22/99/23/598229923.db2.gz IQHHGDDNFNUBIS-QGZVFWFLSA-N -1 0 342.355 2.551 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000820114428 598230054 /nfs/dbraw/zinc/23/00/54/598230054.db2.gz NMSCWWGTVYNDSG-XPTSAGLGSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000819821450 598230157 /nfs/dbraw/zinc/23/01/57/598230157.db2.gz GWYTZDQNBBZGTG-CXAGYDPISA-N -1 0 328.368 2.554 20 30 EFEDRM Cc1coc(-c2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc2C)n1 ZINC000821146711 598230775 /nfs/dbraw/zinc/23/07/75/598230775.db2.gz ASIUXPAGXUDJFT-KRWDZBQOSA-N -1 0 327.340 2.902 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c(F)cc1Br ZINC000819848667 598230908 /nfs/dbraw/zinc/23/09/08/598230908.db2.gz UMCIVIQWXZICHM-LBPRGKRZSA-N -1 0 347.115 2.670 20 30 EFEDRM Cc1nc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)s1 ZINC000735451138 598362829 /nfs/dbraw/zinc/36/28/29/598362829.db2.gz PQCAGZNEFASFQV-UHFFFAOYSA-N -1 0 346.420 2.888 20 30 EFEDRM C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820307520 599398393 /nfs/dbraw/zinc/39/83/93/599398393.db2.gz MYIGMBDZTAVAMN-LGQZLYSRSA-N -1 0 338.327 2.661 20 30 EFEDRM C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1 ZINC000736089834 599704070 /nfs/dbraw/zinc/70/40/70/599704070.db2.gz QTWLINZHBMBKHW-CZUORRHYSA-N -1 0 333.384 2.985 20 30 EFEDRM CCOc1ccc(C[C@@H](CNc2ccc(C#N)cn2)C(=O)[O-])cc1 ZINC000737204957 599707477 /nfs/dbraw/zinc/70/74/77/599707477.db2.gz FTIAUGHEJSROJN-HNNXBMFYSA-N -1 0 325.368 2.707 20 30 EFEDRM N#Cc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000739141858 599721675 /nfs/dbraw/zinc/72/16/75/599721675.db2.gz ARYPMIMTQKGIAB-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)cn1 ZINC000736490678 599728198 /nfs/dbraw/zinc/72/81/98/599728198.db2.gz BPKHWHIDHXQHGB-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM C=CCOCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736109610 599739320 /nfs/dbraw/zinc/73/93/20/599739320.db2.gz RYELKEUQYGAKGX-UHFFFAOYSA-N -1 0 332.381 2.578 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)CCNC(=O)[O-])n2)cc1 ZINC000737910344 599800144 /nfs/dbraw/zinc/80/01/44/599800144.db2.gz ZOAHCBPERLUOEL-LBPRGKRZSA-N -1 0 345.380 2.653 20 30 EFEDRM C=CCN1C(=O)N[C@H](c2cc(F)c(F)c(F)c2)C(C(=O)[O-])=C1C ZINC000736106985 599800161 /nfs/dbraw/zinc/80/01/61/599800161.db2.gz OEBPFTBFMIQCMD-CYBMUJFWSA-N -1 0 326.274 2.715 20 30 EFEDRM N#CC1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000739065868 599821529 /nfs/dbraw/zinc/82/15/29/599821529.db2.gz DAAHVAQJJBLNII-UHFFFAOYSA-N -1 0 333.413 2.772 20 30 EFEDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC000739386103 599822284 /nfs/dbraw/zinc/82/22/84/599822284.db2.gz ASZYZZNDHUXSNU-IBGZPJMESA-N -1 0 348.402 2.959 20 30 EFEDRM C#CCOc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000736090025 599833866 /nfs/dbraw/zinc/83/38/66/599833866.db2.gz SRMZDJGAELFKAS-UHFFFAOYSA-N -1 0 348.358 2.990 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738433134 599833854 /nfs/dbraw/zinc/83/38/54/599833854.db2.gz YJPJYNTZQAWBEO-SFHVURJKSA-N -1 0 349.390 2.542 20 30 EFEDRM C#CCOc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000736089396 599838585 /nfs/dbraw/zinc/83/85/85/599838585.db2.gz KEAWIOXIUHXFGB-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM CN(C(=O)CNc1ccc(CCC(=O)[O-])cc1)C1(C#N)CCCCC1 ZINC000737322165 599857642 /nfs/dbraw/zinc/85/76/42/599857642.db2.gz MFBIBZNEMWHHKK-UHFFFAOYSA-N -1 0 343.427 2.801 20 30 EFEDRM CN1N=C(c2cc(C(=O)[O-])co2)CS/C1=N/Cc1ccccc1 ZINC000737529460 599857766 /nfs/dbraw/zinc/85/77/66/599857766.db2.gz JSIWLSJKHWNDQG-WUKNDPDISA-N -1 0 329.381 2.917 20 30 EFEDRM N#CCc1ccc(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000739090990 599857780 /nfs/dbraw/zinc/85/77/80/599857780.db2.gz CYUFUFHXRNMPRM-UHFFFAOYSA-N -1 0 337.379 2.820 20 30 EFEDRM CC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)C(=O)[O-] ZINC000736861314 599868142 /nfs/dbraw/zinc/86/81/42/599868142.db2.gz JSUAFQVLVVMBAC-IBGZPJMESA-N -1 0 339.395 2.949 20 30 EFEDRM C[C@H](CN(C)C(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000736574398 599875200 /nfs/dbraw/zinc/87/52/00/599875200.db2.gz CSLOMUKSLMHWGE-GFCCVEGCSA-N -1 0 342.351 2.523 20 30 EFEDRM C=CCOc1ccc(C(=O)OCc2cc(C(=O)[O-])co2)cc1OC ZINC000736114095 599880852 /nfs/dbraw/zinc/88/08/52/599880852.db2.gz MZGDYBOAUYOFSN-UHFFFAOYSA-N -1 0 332.308 2.908 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000739123936 599883668 /nfs/dbraw/zinc/88/36/68/599883668.db2.gz ZBFOZGHETMIRCU-MRXNPFEDSA-N -1 0 340.335 2.562 20 30 EFEDRM CCOc1cc(C(=O)Nc2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC000737186293 599893980 /nfs/dbraw/zinc/89/39/80/599893980.db2.gz MEOHMJYVEWGDFS-UHFFFAOYSA-N -1 0 340.335 2.673 20 30 EFEDRM Cc1nc(NC(=O)CSc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000738360904 599897262 /nfs/dbraw/zinc/89/72/62/599897262.db2.gz OMQDWEKKNHMLHH-UHFFFAOYSA-N -1 0 333.394 2.752 20 30 EFEDRM C#Cc1cccc(NC(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)c1 ZINC000736090734 599899354 /nfs/dbraw/zinc/89/93/54/599899354.db2.gz IMZINMYHDWQPKX-UHFFFAOYSA-N -1 0 339.347 2.782 20 30 EFEDRM N#Cc1ccc(SCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000739131631 599905186 /nfs/dbraw/zinc/90/51/86/599905186.db2.gz CQLZSONVOIQGHU-BMFZPTHFSA-N -1 0 344.436 2.895 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC000739118591 599905292 /nfs/dbraw/zinc/90/52/92/599905292.db2.gz VFHDQYBIXZVQSM-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM O=C([O-])c1ccc(O)c(C=NNC(=S)Nc2ccc(F)cc2)c1 ZINC000740155865 599906106 /nfs/dbraw/zinc/90/61/06/599906106.db2.gz ZANLITKBRHAZEQ-UHFFFAOYSA-N -1 0 333.344 2.550 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000739091892 599931645 /nfs/dbraw/zinc/93/16/45/599931645.db2.gz NZRHTMXQEUEJNO-MRXNPFEDSA-N -1 0 338.363 2.925 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000739131626 599947751 /nfs/dbraw/zinc/94/77/51/599947751.db2.gz CCYUXWZIWIMKRL-UHFFFAOYSA-N -1 0 328.349 2.693 20 30 EFEDRM N#Cc1cc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)ccc1F ZINC000739099562 599957036 /nfs/dbraw/zinc/95/70/36/599957036.db2.gz YWKUDVDJXPALIB-UHFFFAOYSA-N -1 0 343.314 2.596 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000739071914 599963744 /nfs/dbraw/zinc/96/37/44/599963744.db2.gz AGYGYDGBTPWIBY-UHFFFAOYSA-N -1 0 325.324 2.715 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000739140099 599975502 /nfs/dbraw/zinc/97/55/02/599975502.db2.gz PCJHIYDZBMWHTR-ZGRWHYIRSA-N -1 0 342.301 2.792 20 30 EFEDRM C#Cc1cccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000736091570 599993491 /nfs/dbraw/zinc/99/34/91/599993491.db2.gz YRVSNDRPTSLJHK-HNNXBMFYSA-N -1 0 340.354 2.872 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000736952597 600004040 /nfs/dbraw/zinc/00/40/40/600004040.db2.gz QXEMHLFHZVBJJW-UHFFFAOYSA-N -1 0 347.415 2.745 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(F)c1 ZINC000739118562 600023954 /nfs/dbraw/zinc/02/39/54/600023954.db2.gz UPTFELDRWNVECJ-UHFFFAOYSA-N -1 0 339.326 2.621 20 30 EFEDRM CC(C)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000314535186 600028456 /nfs/dbraw/zinc/02/84/56/600028456.db2.gz BZNDCXHVSHKQRE-UHFFFAOYSA-N -1 0 344.820 2.599 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736706289 600028664 /nfs/dbraw/zinc/02/86/64/600028664.db2.gz AQDXYTUXVDVSQV-LBPRGKRZSA-N -1 0 325.320 2.558 20 30 EFEDRM O=C([O-])c1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)o1 ZINC000740124315 600030132 /nfs/dbraw/zinc/03/01/32/600030132.db2.gz VHFVHYWQRKQLAV-DAFODLJHSA-N -1 0 327.214 2.993 20 30 EFEDRM CC(=NNc1ccnc2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC000736127155 600033254 /nfs/dbraw/zinc/03/32/54/600033254.db2.gz RZUXMKIUBGYNIX-UHFFFAOYSA-N -1 0 335.363 2.956 20 30 EFEDRM CC(N=Nc1cnc2ccccc2n1)c1ccc(OCC(=O)[O-])cc1 ZINC000736125890 600055729 /nfs/dbraw/zinc/05/57/29/600055729.db2.gz MLOLUJYCDLZUGA-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)C2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000738698292 600070619 /nfs/dbraw/zinc/07/06/19/600070619.db2.gz KSQQAUQMBDKENF-INIZCTEOSA-N -1 0 328.412 2.829 20 30 EFEDRM N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000739134157 600072174 /nfs/dbraw/zinc/07/21/74/600072174.db2.gz XFDOTXVBBRWTBZ-IAGOWNOFSA-N -1 0 336.347 2.796 20 30 EFEDRM N#C[C@@H](NC(=O)CCSCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000739074653 600072457 /nfs/dbraw/zinc/07/24/57/600072457.db2.gz KQTDDPFRKSXQHN-LLVKDONJSA-N -1 0 346.330 2.594 20 30 EFEDRM N#CCCn1cc(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000738427373 600101607 /nfs/dbraw/zinc/10/16/07/600101607.db2.gz ARVMIOQDMCFXQH-AWEZNQCLSA-N -1 0 339.395 2.534 20 30 EFEDRM O=C([O-])c1ccccc1C=NNC(=S)NCc1ccc(F)cc1 ZINC000730559264 600166579 /nfs/dbraw/zinc/16/65/79/600166579.db2.gz BSDRHOUNCSWCNL-UHFFFAOYSA-N -1 0 331.372 2.522 20 30 EFEDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=S)Nc3cccnc3)c2c1 ZINC000740188600 600180513 /nfs/dbraw/zinc/18/05/13/600180513.db2.gz DQRSFNKLWOTTMZ-UHFFFAOYSA-N -1 0 339.380 2.582 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC000736097230 600184179 /nfs/dbraw/zinc/18/41/79/600184179.db2.gz YPGUQDIELWDUDG-KRWDZBQOSA-N -1 0 339.395 2.939 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000739089170 600194602 /nfs/dbraw/zinc/19/46/02/600194602.db2.gz ZBDSQQCPZAXPMX-UHFFFAOYSA-N -1 0 328.299 2.607 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000739088582 600195405 /nfs/dbraw/zinc/19/54/05/600195405.db2.gz TZHKLKRNMSMVGD-UHFFFAOYSA-N -1 0 325.324 2.860 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000739139461 600196228 /nfs/dbraw/zinc/19/62/28/600196228.db2.gz HFMLLPIIXMWLRJ-MRXNPFEDSA-N -1 0 344.411 2.963 20 30 EFEDRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(C#N)cn1)C(=O)[O-] ZINC000736715748 600198915 /nfs/dbraw/zinc/19/89/15/600198915.db2.gz HDSVCVSAZJMFEG-JTQLQIEISA-N -1 0 327.365 2.771 20 30 EFEDRM C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C(=O)[O-] ZINC000736605726 600249667 /nfs/dbraw/zinc/24/96/67/600249667.db2.gz MHMRHCGTKGDGAD-CYBMUJFWSA-N -1 0 338.363 2.995 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736772894 600258428 /nfs/dbraw/zinc/25/84/28/600258428.db2.gz JLQPIEBHRSSVFB-DJJJIMSYSA-N -1 0 339.395 2.928 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000737077698 600276575 /nfs/dbraw/zinc/27/65/75/600276575.db2.gz DTDQHJFEOMEJHD-SNVBAGLBSA-N -1 0 347.396 2.626 20 30 EFEDRM CCN(Cc1noc(CCCC(=O)[O-])n1)[C@H](C)c1ccc(C#N)cc1 ZINC000737108540 600290509 /nfs/dbraw/zinc/29/05/09/600290509.db2.gz WMBGKXQIAWBAAK-CYBMUJFWSA-N -1 0 342.399 2.932 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736701299 600297015 /nfs/dbraw/zinc/29/70/15/600297015.db2.gz UABKHKUCQPALJQ-GFCCVEGCSA-N -1 0 339.351 2.732 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736701302 600297124 /nfs/dbraw/zinc/29/71/24/600297124.db2.gz UABKHKUCQPALJQ-LBPRGKRZSA-N -1 0 339.351 2.732 20 30 EFEDRM CN(Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000737479690 600305412 /nfs/dbraw/zinc/30/54/12/600305412.db2.gz WMCFZFPDKXVZIU-UHFFFAOYSA-N -1 0 338.367 2.719 20 30 EFEDRM CN(Cc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1)C(=O)[O-] ZINC000737486195 600314257 /nfs/dbraw/zinc/31/42/57/600314257.db2.gz QYAWWQFXYMNOEP-UHFFFAOYSA-N -1 0 344.415 2.551 20 30 EFEDRM N#Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739129290 600320435 /nfs/dbraw/zinc/32/04/35/600320435.db2.gz SQPXDBVROQTHGH-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737486603 600354390 /nfs/dbraw/zinc/35/43/90/600354390.db2.gz CKFFBJIKUCROPJ-UHFFFAOYSA-N -1 0 338.367 2.990 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736114094 600354877 /nfs/dbraw/zinc/35/48/77/600354877.db2.gz MXWNCFBOGHSGJG-UHFFFAOYSA-N -1 0 347.396 2.657 20 30 EFEDRM CC[C@H](C(=O)[O-])N(C(=O)COc1cccc(C#N)c1)c1ccccc1 ZINC000736853978 600385975 /nfs/dbraw/zinc/38/59/75/600385975.db2.gz WIIHFCOSABLCNQ-QGZVFWFLSA-N -1 0 338.363 2.833 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000739087599 600402464 /nfs/dbraw/zinc/40/24/64/600402464.db2.gz ORUJSFJTKQBJND-UHFFFAOYSA-N -1 0 335.772 2.514 20 30 EFEDRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CC#N)CC(=O)[O-] ZINC000736621518 600402483 /nfs/dbraw/zinc/40/24/83/600402483.db2.gz BYZCITZZXJHLAL-VIFPVBQESA-N -1 0 329.183 2.609 20 30 EFEDRM CC(C)[C@H](C#N)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736347196 600408954 /nfs/dbraw/zinc/40/89/54/600408954.db2.gz GDMISESSYWAYCP-JKSUJKDBSA-N -1 0 335.835 2.631 20 30 EFEDRM CC(C)[C@@H](C#N)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736347193 600408977 /nfs/dbraw/zinc/40/89/77/600408977.db2.gz GDMISESSYWAYCP-CVEARBPZSA-N -1 0 335.835 2.631 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736390182 600424542 /nfs/dbraw/zinc/42/45/42/600424542.db2.gz HETNBOCCGBABJI-INIZCTEOSA-N -1 0 339.351 2.694 20 30 EFEDRM C#Cc1cccc(NC(=O)CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736091606 600426436 /nfs/dbraw/zinc/42/64/36/600426436.db2.gz ZKVKYOQAYPIPBC-QGZVFWFLSA-N -1 0 342.782 2.675 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000736544224 600439855 /nfs/dbraw/zinc/43/98/55/600439855.db2.gz BPZMMQKQEHHSQB-OCCSQVGLSA-N -1 0 347.440 2.568 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000736544220 600439859 /nfs/dbraw/zinc/43/98/59/600439859.db2.gz BPZMMQKQEHHSQB-GXTWGEPZSA-N -1 0 347.440 2.568 20 30 EFEDRM N#CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000739090951 600453004 /nfs/dbraw/zinc/45/30/04/600453004.db2.gz BDOHLVDQUZZHJL-HNNXBMFYSA-N -1 0 329.283 2.711 20 30 EFEDRM N#CC(C(=O)CCSCC(=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000739074308 600459741 /nfs/dbraw/zinc/45/97/41/600459741.db2.gz HTGXMKHSUIZNLA-NSHDSACASA-N -1 0 347.421 2.589 20 30 EFEDRM C=CCc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)cc(OC)c1OC ZINC000736113864 600475563 /nfs/dbraw/zinc/47/55/63/600475563.db2.gz CJUAFZZXGFVALD-UHFFFAOYSA-N -1 0 345.351 2.654 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000738535964 600501193 /nfs/dbraw/zinc/50/11/93/600501193.db2.gz UPXPVNFPLYNKIX-UHFFFAOYSA-N -1 0 329.400 2.790 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])c2)s1 ZINC000739098976 600528892 /nfs/dbraw/zinc/52/88/92/600528892.db2.gz NGHZQZKOPUJYIW-KBPBESRZSA-N -1 0 326.377 2.624 20 30 EFEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])c2)s1 ZINC000739098982 600528917 /nfs/dbraw/zinc/52/89/17/600528917.db2.gz NGHZQZKOPUJYIW-ZIAGYGMSSA-N -1 0 326.377 2.624 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000739106404 600564043 /nfs/dbraw/zinc/56/40/43/600564043.db2.gz RTTQZCFIOJUAFV-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM Cc1csc([C@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)n1 ZINC000738817118 600567822 /nfs/dbraw/zinc/56/78/22/600567822.db2.gz UCVVLKZOVYWYLE-CABCVRRESA-N -1 0 343.408 2.522 20 30 EFEDRM CC(C)(NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736338788 600570703 /nfs/dbraw/zinc/57/07/03/600570703.db2.gz BRIJTUGNTZHJQO-UHFFFAOYSA-N -1 0 338.363 2.730 20 30 EFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)nc2)cc1 ZINC000738202565 600572608 /nfs/dbraw/zinc/57/26/08/600572608.db2.gz HYZPZOKMAGJONA-OAHLLOKOSA-N -1 0 341.392 2.621 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cn1 ZINC000739102077 600573566 /nfs/dbraw/zinc/57/35/66/600573566.db2.gz QOHOCHDEZCYJFY-UHFFFAOYSA-N -1 0 333.250 2.505 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736699908 600590180 /nfs/dbraw/zinc/59/01/80/600590180.db2.gz GWTRRQPVCSNCDB-CXAGYDPISA-N -1 0 338.363 2.610 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc3c(c2)NC(=O)CS3)C(=O)[O-])cc1 ZINC000739112222 600592032 /nfs/dbraw/zinc/59/20/32/600592032.db2.gz YHBFNPGZOXHKBO-INIZCTEOSA-N -1 0 339.376 2.840 20 30 EFEDRM COc1cc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1NC(C)=O ZINC000737894766 600594606 /nfs/dbraw/zinc/59/46/06/600594606.db2.gz BSKWGTIXSJDUNC-KRWDZBQOSA-N -1 0 339.351 2.763 20 30 EFEDRM C[C@@H](Oc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736703416 600603575 /nfs/dbraw/zinc/60/35/75/600603575.db2.gz DWOPYGAODPEQBI-MLGOLLRUSA-N -1 0 325.320 2.695 20 30 EFEDRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000738546373 600604057 /nfs/dbraw/zinc/60/40/57/600604057.db2.gz WHWTXNMZWHSBBL-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM COc1cc(OC)cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737902441 600604755 /nfs/dbraw/zinc/60/47/55/600604755.db2.gz LFECRGXPCQFUGC-INIZCTEOSA-N -1 0 341.319 2.558 20 30 EFEDRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736616456 600605001 /nfs/dbraw/zinc/60/50/01/600605001.db2.gz LBKQWANIMWAQNS-RKDXNWHRSA-N -1 0 326.805 2.993 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CCC(=O)c2cccs2)C(=O)[O-])cc1 ZINC000739109119 600605203 /nfs/dbraw/zinc/60/52/03/600605203.db2.gz KANRPNOXJKIJBL-INIZCTEOSA-N -1 0 343.360 2.952 20 30 EFEDRM CCn1c(C)cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000737293705 600605466 /nfs/dbraw/zinc/60/54/66/600605466.db2.gz IYOKXNWBVPYHMF-INIZCTEOSA-N -1 0 326.352 2.979 20 30 EFEDRM Cc1cccc(C)c1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738688918 600605814 /nfs/dbraw/zinc/60/58/14/600605814.db2.gz MGQTYUVABJWYNS-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM C[C@H](CS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000736614427 600606333 /nfs/dbraw/zinc/60/63/33/600606333.db2.gz CNJXGGGSGFDOBQ-BDAKNGLRSA-N -1 0 338.454 2.889 20 30 EFEDRM COc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738018103 600606753 /nfs/dbraw/zinc/60/67/53/600606753.db2.gz QVZQRTCGDOSGGL-OAHLLOKOSA-N -1 0 329.283 2.689 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cs1 ZINC000736109314 600607533 /nfs/dbraw/zinc/60/75/33/600607533.db2.gz HLMTXGUMGRUKPT-CYBMUJFWSA-N -1 0 343.364 2.595 20 30 EFEDRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1N ZINC000738194928 600608660 /nfs/dbraw/zinc/60/86/60/600608660.db2.gz DSGKPORQLKTRDV-HNNXBMFYSA-N -1 0 342.376 2.845 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCOc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739108727 600610112 /nfs/dbraw/zinc/61/01/12/600610112.db2.gz GGPDZHBPWCLABH-QGZVFWFLSA-N -1 0 343.310 2.835 20 30 EFEDRM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736701502 600610478 /nfs/dbraw/zinc/61/04/78/600610478.db2.gz WQDWXLFAYNVGCF-CXAGYDPISA-N -1 0 339.347 2.832 20 30 EFEDRM CO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000737723781 600611755 /nfs/dbraw/zinc/61/17/55/600611755.db2.gz NYLRLXJHRSIIMB-HZPDHXFCSA-N -1 0 325.320 2.615 20 30 EFEDRM CC(C)(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n[nH]1 ZINC000736294765 600612668 /nfs/dbraw/zinc/61/26/68/600612668.db2.gz QRPXHCXEMJMPTN-CQSZACIVSA-N -1 0 327.340 2.562 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000739110307 600612802 /nfs/dbraw/zinc/61/28/02/600612802.db2.gz PMIGEUXETGHGKM-QGZVFWFLSA-N -1 0 325.320 2.566 20 30 EFEDRM N#Cc1cccc(OCc2cccc(C(=O)NCCCC(=O)[O-])c2)c1 ZINC000738433410 600613706 /nfs/dbraw/zinc/61/37/06/600613706.db2.gz BGSJOFALGCNYOG-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM CCc1ccc(O)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737267244 600615627 /nfs/dbraw/zinc/61/56/27/600615627.db2.gz FEWTZJIUHJFKBH-INIZCTEOSA-N -1 0 325.320 2.809 20 30 EFEDRM CC(=O)c1csc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736196774 600616440 /nfs/dbraw/zinc/61/64/40/600616440.db2.gz OUJZNDYORNCKMH-AWEZNQCLSA-N -1 0 329.333 2.805 20 30 EFEDRM COc1cc(C)cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1O ZINC000737866374 600616831 /nfs/dbraw/zinc/61/68/31/600616831.db2.gz AFNWFVZKHNYDGY-INIZCTEOSA-N -1 0 341.319 2.564 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3c(c2)CCCN3)C(=O)[O-])cc1 ZINC000739115491 600617298 /nfs/dbraw/zinc/61/72/98/600617298.db2.gz RJXAGWXOLFGRTH-KRWDZBQOSA-N -1 0 336.347 2.899 20 30 EFEDRM C[C@@H]1CCC[C@H](OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736781886 600617692 /nfs/dbraw/zinc/61/76/92/600617692.db2.gz SWQRZXALBHHKSV-ISTRZQFTSA-N -1 0 331.368 2.822 20 30 EFEDRM COc1cc(C)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737870212 600618489 /nfs/dbraw/zinc/61/84/89/600618489.db2.gz FKGUXGVEICRGIY-CYBMUJFWSA-N -1 0 331.349 2.920 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(-n3cccn3)c2)C(=O)[O-])cc1 ZINC000739115988 600618762 /nfs/dbraw/zinc/61/87/62/600618762.db2.gz WTFWJJZBOUIPJZ-QGZVFWFLSA-N -1 0 347.330 2.727 20 30 EFEDRM C#CCCNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000736077771 600637532 /nfs/dbraw/zinc/63/75/32/600637532.db2.gz WSNGXJUPTZPFPK-UHFFFAOYSA-N -1 0 338.319 2.959 20 30 EFEDRM C[C@H](OC(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736696047 600648562 /nfs/dbraw/zinc/64/85/62/600648562.db2.gz GDIPIZHBCLORAJ-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736097304 600656676 /nfs/dbraw/zinc/65/66/76/600656676.db2.gz FNYHDJZHTQEIHK-UHFFFAOYSA-N -1 0 332.400 2.837 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736097362 600656701 /nfs/dbraw/zinc/65/67/01/600656701.db2.gz JPYFHSISTFMXTB-UHFFFAOYSA-N -1 0 333.388 2.920 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NCCOc2cccc(C#N)c2)c1OC ZINC000737858454 600678838 /nfs/dbraw/zinc/67/88/38/600678838.db2.gz KNEHJPWODMASKQ-UHFFFAOYSA-N -1 0 342.351 2.765 20 30 EFEDRM Cc1cc(S(=O)(=O)Oc2ccc(CC#N)cc2)ccc1C(=O)[O-] ZINC000832904592 600692405 /nfs/dbraw/zinc/69/24/05/600692405.db2.gz ULPHGIDMDBTYOG-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM Cc1cccc(C)c1NCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832965085 600701937 /nfs/dbraw/zinc/70/19/37/600701937.db2.gz LPSNRTPMJMUFHF-GOSISDBHSA-N -1 0 338.363 2.956 20 30 EFEDRM Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000832902697 600708656 /nfs/dbraw/zinc/70/86/56/600708656.db2.gz JFNVJJJPPDENKN-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccccc1 ZINC000828135711 600781760 /nfs/dbraw/zinc/78/17/60/600781760.db2.gz QBMAZTLJWVLNMG-INIZCTEOSA-N -1 0 337.335 2.776 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC000833071155 600803470 /nfs/dbraw/zinc/80/34/70/600803470.db2.gz XXDBKIKKNMXWNX-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccnc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833076696 600806192 /nfs/dbraw/zinc/80/61/92/600806192.db2.gz MTCRZARSSSFBQN-LLVKDONJSA-N -1 0 345.405 2.611 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2ccc(F)cc2Cl)o1 ZINC000833095758 600806469 /nfs/dbraw/zinc/80/64/69/600806469.db2.gz SROYUMQMRAJFNN-UHFFFAOYSA-N -1 0 340.694 2.911 20 30 EFEDRM Cc1ncc(CO)c(C=Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1O ZINC000738884787 600817129 /nfs/dbraw/zinc/81/71/29/600817129.db2.gz CQPGZLNULXCAFF-UHFFFAOYSA-N -1 0 328.368 2.701 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000736076745 600828060 /nfs/dbraw/zinc/82/80/60/600828060.db2.gz UIKSOMPXULVWPK-UHFFFAOYSA-N -1 0 335.359 2.990 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000736089459 600834396 /nfs/dbraw/zinc/83/43/96/600834396.db2.gz LESITTFISVZJQV-UHFFFAOYSA-N -1 0 326.304 2.625 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833075609 600872399 /nfs/dbraw/zinc/87/23/99/600872399.db2.gz UMQULUACXVKSOF-KBPBESRZSA-N -1 0 346.452 2.799 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833075617 600872587 /nfs/dbraw/zinc/87/25/87/600872587.db2.gz UMQULUACXVKSOF-UONOGXRCSA-N -1 0 346.452 2.799 20 30 EFEDRM C=CCOCCCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000825699328 600881713 /nfs/dbraw/zinc/88/17/13/600881713.db2.gz XLDVJIRAOITRKM-UHFFFAOYSA-N -1 0 335.385 2.758 20 30 EFEDRM COc1cc(C(=O)[O-])cc(N[C@@H](C#N)Cc2ccccc2)c1OC ZINC000831909089 600894011 /nfs/dbraw/zinc/89/40/11/600894011.db2.gz QUJBMCNEZHCXLD-CQSZACIVSA-N -1 0 326.352 2.949 20 30 EFEDRM C[C@@H](C#N)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000825966521 600921118 /nfs/dbraw/zinc/92/11/18/600921118.db2.gz GBQUTDMJRMXPHX-RYUDHWBXSA-N -1 0 327.340 2.622 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(=O)[O-] ZINC000736401995 600923097 /nfs/dbraw/zinc/92/30/97/600923097.db2.gz MXAZBBNYQLTTEU-RDJZCZTQSA-N -1 0 346.427 2.825 20 30 EFEDRM C=CCOc1ccc(OC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000825699291 600932441 /nfs/dbraw/zinc/93/24/41/600932441.db2.gz VWCOHDWGQXMJBH-UHFFFAOYSA-N -1 0 328.320 2.934 20 30 EFEDRM Cc1cc2nnc(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n2c(C)n1 ZINC000738486667 600937407 /nfs/dbraw/zinc/93/74/07/600937407.db2.gz FUNGNSINWCVVRV-CQSZACIVSA-N -1 0 339.380 2.531 20 30 EFEDRM CC(C)c1ccc([C@@H](NC(=O)CN(CC#N)CC(=O)[O-])C(C)C)cc1 ZINC000827118709 601003715 /nfs/dbraw/zinc/00/37/15/601003715.db2.gz ZKSIOUMFLJXOHA-IBGZPJMESA-N -1 0 345.443 2.533 20 30 EFEDRM N#CCN(CC(=O)[O-])Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000833066497 601005001 /nfs/dbraw/zinc/00/50/01/601005001.db2.gz BCZRCPBGYLHWHZ-UHFFFAOYSA-N -1 0 346.390 2.949 20 30 EFEDRM C/C(=C/C(=O)N(CC#N)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736118997 601019191 /nfs/dbraw/zinc/01/91/91/601019191.db2.gz ZSMGTRDNTAUGDC-NTMALXAHSA-N -1 0 326.274 2.545 20 30 EFEDRM N#CCOc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000833068360 601020063 /nfs/dbraw/zinc/02/00/63/601020063.db2.gz WVNNOTQQSOFOLH-INIZCTEOSA-N -1 0 339.351 2.579 20 30 EFEDRM N#CCOc1ccccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000739090988 601027591 /nfs/dbraw/zinc/02/75/91/601027591.db2.gz CYQYYMDMPTZFLI-UHFFFAOYSA-N -1 0 342.326 2.850 20 30 EFEDRM C#CCOc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000736076849 601034514 /nfs/dbraw/zinc/03/45/14/601034514.db2.gz VMRFEIBKVNLBTK-UHFFFAOYSA-N -1 0 342.376 2.663 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cs1 ZINC000825692045 601072189 /nfs/dbraw/zinc/07/21/89/601072189.db2.gz FZAJEASYIKMEGS-GFCCVEGCSA-N -1 0 336.344 2.863 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000825625676 601085722 /nfs/dbraw/zinc/08/57/22/601085722.db2.gz LEILXZDAZRCQEL-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])nc1 ZINC000825636126 601094761 /nfs/dbraw/zinc/09/47/61/601094761.db2.gz CUUHLGMFAMIPCY-WBVHZDCISA-N -1 0 326.396 2.559 20 30 EFEDRM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000737049772 601112629 /nfs/dbraw/zinc/11/26/29/601112629.db2.gz ICLSYHDODHWDPW-SNVBAGLBSA-N -1 0 345.380 2.533 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000831725178 601126998 /nfs/dbraw/zinc/12/69/98/601126998.db2.gz QRDAWQNYTWRIQE-UHFFFAOYSA-N -1 0 349.387 2.566 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000827861770 601132690 /nfs/dbraw/zinc/13/26/90/601132690.db2.gz NZXUGALMYHHHMZ-GFCCVEGCSA-N -1 0 325.320 2.940 20 30 EFEDRM C[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000827861363 601132940 /nfs/dbraw/zinc/13/29/40/601132940.db2.gz KRZHCBMIVCKPBF-LBPRGKRZSA-N -1 0 325.320 2.940 20 30 EFEDRM Cc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC000832946609 601139157 /nfs/dbraw/zinc/13/91/57/601139157.db2.gz HHNXTBAPPIWUJV-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000832983769 601142937 /nfs/dbraw/zinc/14/29/37/601142937.db2.gz FYXBSYLSQAODSK-CQSZACIVSA-N -1 0 348.362 2.774 20 30 EFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC000832984284 601142953 /nfs/dbraw/zinc/14/29/53/601142953.db2.gz OUGQHELSSXENLK-MRVPVSSYSA-N -1 0 326.337 2.516 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000826710301 601174629 /nfs/dbraw/zinc/17/46/29/601174629.db2.gz GTHQQLVRKAZWKT-ZDUSSCGKSA-N -1 0 343.301 2.892 20 30 EFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000825681901 601218919 /nfs/dbraw/zinc/21/89/19/601218919.db2.gz LNUZQYQZISVBKO-UHFFFAOYSA-N -1 0 349.408 2.706 20 30 EFEDRM N#C[C@H](COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000833063347 601237795 /nfs/dbraw/zinc/23/77/95/601237795.db2.gz ITGRGQHYYAHFSN-QLFBSQMISA-N -1 0 333.359 2.942 20 30 EFEDRM COC(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC000831434896 601251179 /nfs/dbraw/zinc/25/11/79/601251179.db2.gz JKCWZHLCFIKOAC-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833040885 601255055 /nfs/dbraw/zinc/25/50/55/601255055.db2.gz SXJQLJUFVLZCPU-UHFFFAOYSA-N -1 0 337.257 2.866 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000832916836 601262776 /nfs/dbraw/zinc/26/27/76/601262776.db2.gz ZJZWCGZFIZSIHM-INIZCTEOSA-N -1 0 335.363 2.782 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3cc(C(=O)[O-])ccc3F)C2=O)cc1 ZINC000833073212 601263789 /nfs/dbraw/zinc/26/37/89/601263789.db2.gz ISXMNKHKVKQPAT-OAHLLOKOSA-N -1 0 339.326 2.613 20 30 EFEDRM Cc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832910326 601265683 /nfs/dbraw/zinc/26/56/83/601265683.db2.gz AOEHXUJRAPHYRZ-ZDUSSCGKSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1ccc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc1C(=O)[O-] ZINC000832948863 601266442 /nfs/dbraw/zinc/26/64/42/601266442.db2.gz IPERMGBFRNTMLM-AWEZNQCLSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1ccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1C(=O)[O-] ZINC000832949025 601266486 /nfs/dbraw/zinc/26/64/86/601266486.db2.gz MDWMYPZFAIARKX-KRWDZBQOSA-N -1 0 335.363 2.782 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1cccc(C#N)c1 ZINC000831977223 601276732 /nfs/dbraw/zinc/27/67/32/601276732.db2.gz RPIKJLOLEGTTGG-SOFGYWHQSA-N -1 0 337.331 2.813 20 30 EFEDRM CC(=O)N1CCc2cc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc21 ZINC000825846655 601298157 /nfs/dbraw/zinc/29/81/57/601298157.db2.gz BALUFJXVGZQPKU-SFHVURJKSA-N -1 0 335.363 2.705 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000833074212 601302087 /nfs/dbraw/zinc/30/20/87/601302087.db2.gz RVRKIHMYJLDLBZ-UONOGXRCSA-N -1 0 342.317 2.727 20 30 EFEDRM COC(=O)[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831085210 601303103 /nfs/dbraw/zinc/30/31/03/601303103.db2.gz XOALPDDYNSKZAN-MRXNPFEDSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1csc([C@H]2CN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CCO2)n1 ZINC000832988968 601314025 /nfs/dbraw/zinc/31/40/25/601314025.db2.gz CEIAOIVYEVFWHI-HUUCEWRRSA-N -1 0 343.408 2.522 20 30 EFEDRM COC(=O)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831379138 601330152 /nfs/dbraw/zinc/33/01/52/601330152.db2.gz KZBKJRFJSFUKAM-GFULKKFKSA-N -1 0 340.335 2.658 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000829852835 601331270 /nfs/dbraw/zinc/33/12/70/601331270.db2.gz QLANELOQFKNNEK-CSKARUKUSA-N -1 0 327.336 2.715 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C1=O ZINC000829356734 601336592 /nfs/dbraw/zinc/33/65/92/601336592.db2.gz JBXTZFODUYXDOA-QGZVFWFLSA-N -1 0 348.403 2.718 20 30 EFEDRM O=C([O-])c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)[nH]1 ZINC000749814505 601336916 /nfs/dbraw/zinc/33/69/16/601336916.db2.gz QDCXMADHUBZABV-UHFFFAOYSA-N -1 0 331.719 2.862 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000833069547 601339562 /nfs/dbraw/zinc/33/95/62/601339562.db2.gz FHFNDHJKCSIIRT-UHFFFAOYSA-N -1 0 343.314 2.596 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)cc2O)C(=O)[O-])c1 ZINC000833076990 601344750 /nfs/dbraw/zinc/34/47/50/601344750.db2.gz KHRFDNFXYHAPAT-AWEZNQCLSA-N -1 0 331.711 2.900 20 30 EFEDRM COc1ccc(C)cc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832258335 601345784 /nfs/dbraw/zinc/34/57/84/601345784.db2.gz HPAPXPDWSFNDMH-GOSISDBHSA-N -1 0 339.347 2.787 20 30 EFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000831949748 601345800 /nfs/dbraw/zinc/34/58/00/601345800.db2.gz DRDLTBJXAWBHNZ-INIZCTEOSA-N -1 0 325.320 2.858 20 30 EFEDRM C[C@@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890690 601346349 /nfs/dbraw/zinc/34/63/49/601346349.db2.gz XLLUHLMIANPUFV-BDJLRTHQSA-N -1 0 343.310 2.834 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)Cn2ccc3ccccc32)C(=O)[O-])c1 ZINC000833077597 601350548 /nfs/dbraw/zinc/35/05/48/601350548.db2.gz XFFHYKNBFPUSEB-SFHVURJKSA-N -1 0 334.331 2.882 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(N)cc2Cl)C(=O)[O-])c1 ZINC000833077054 601350629 /nfs/dbraw/zinc/35/06/29/601350629.db2.gz KUJFUNOIPFXQRF-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM Cc1ccc(F)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832935755 601351314 /nfs/dbraw/zinc/35/13/14/601351314.db2.gz MPJDCQZVQHOGNR-OAHLLOKOSA-N -1 0 328.299 2.571 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077412 601351509 /nfs/dbraw/zinc/35/15/09/601351509.db2.gz RTDDLYQQRQBGTB-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1c(CON=C(N)c2cccc(C(=O)[O-])c2)cn2ccccc12 ZINC000833069325 601351700 /nfs/dbraw/zinc/35/17/00/601351700.db2.gz SBEIDMGYHBYGOM-UHFFFAOYSA-N -1 0 334.335 2.556 20 30 EFEDRM Cc1noc(C)c1[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020079 601352080 /nfs/dbraw/zinc/35/20/80/601352080.db2.gz SYESLPOPWZRLBN-PSLIRLAXSA-N -1 0 328.324 2.636 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000833077316 601353181 /nfs/dbraw/zinc/35/31/81/601353181.db2.gz PEJKZEMKGIOWRA-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3cccnc3c2N)C(=O)[O-])c1 ZINC000833077419 601353474 /nfs/dbraw/zinc/35/34/74/601353474.db2.gz RYEAPZPGOURXMZ-QGZVFWFLSA-N -1 0 347.330 2.671 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3cccnc3c2N)C(=O)[O-])c1 ZINC000833077418 601353584 /nfs/dbraw/zinc/35/35/84/601353584.db2.gz RYEAPZPGOURXMZ-KRWDZBQOSA-N -1 0 347.330 2.671 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(N)c(Cl)c2)C(=O)[O-])c1 ZINC000833077252 601354042 /nfs/dbraw/zinc/35/40/42/601354042.db2.gz NZPCSWBYIPJIMU-AWEZNQCLSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(-n3cccn3)c2)C(=O)[O-])c1 ZINC000833077722 601354457 /nfs/dbraw/zinc/35/44/57/601354457.db2.gz ZONBHKMSBGUHQV-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM CCn1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1Cl ZINC000830441137 601354747 /nfs/dbraw/zinc/35/47/47/601354747.db2.gz YFUINIIJHKDHGS-CYBMUJFWSA-N -1 0 347.758 2.719 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(N3CC=CC3)cc2)C(=O)[O-])c1 ZINC000833077455 601355091 /nfs/dbraw/zinc/35/50/91/601355091.db2.gz SYHJWXDJHBCRMG-SFHVURJKSA-N -1 0 348.358 2.917 20 30 EFEDRM C#CCNC(=O)c1ccccc1NCc1cc(C(=O)[O-])oc1CC ZINC000825626018 601389905 /nfs/dbraw/zinc/38/99/05/601389905.db2.gz SKBRCJROLZDGDE-UHFFFAOYSA-N -1 0 326.352 2.515 20 30 EFEDRM CCCCC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000829340803 601404419 /nfs/dbraw/zinc/40/44/19/601404419.db2.gz UAOHYQQMRXSOMP-ZDUSSCGKSA-N -1 0 344.820 2.523 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)c1cnn(C)c1 ZINC000825702424 601441709 /nfs/dbraw/zinc/44/17/09/601441709.db2.gz NHYGZKGXVLNBGR-NSHDSACASA-N -1 0 344.367 2.565 20 30 EFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000828628955 601470799 /nfs/dbraw/zinc/47/07/99/601470799.db2.gz WKKWZDZKNLFHQA-KRWDZBQOSA-N -1 0 349.456 2.730 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(C#N)cs1 ZINC000831977863 601498980 /nfs/dbraw/zinc/49/89/80/601498980.db2.gz VCFBDAJASWNLMY-HWKANZROSA-N -1 0 329.333 2.945 20 30 EFEDRM Cc1cc(C(=O)OCc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832869911 601501165 /nfs/dbraw/zinc/50/11/65/601501165.db2.gz UFUHXTSIMMXZQA-UHFFFAOYSA-N -1 0 339.347 2.996 20 30 EFEDRM N#CCOc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833068339 601583768 /nfs/dbraw/zinc/58/37/68/601583768.db2.gz WJGDWCYNHZREFE-OAHLLOKOSA-N -1 0 344.754 2.798 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000776651784 601584056 /nfs/dbraw/zinc/58/40/56/601584056.db2.gz ZUJHPQBYVKTHAM-INIZCTEOSA-N -1 0 343.766 2.908 20 30 EFEDRM CN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000830722860 601586836 /nfs/dbraw/zinc/58/68/36/601586836.db2.gz KHANVOUGYRMNKF-UHFFFAOYSA-N -1 0 345.277 2.703 20 30 EFEDRM Cc1nc(Cl)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833001212 601591106 /nfs/dbraw/zinc/59/11/06/601591106.db2.gz XAYWJLKVWMJMAC-SNVBAGLBSA-N -1 0 336.756 2.959 20 30 EFEDRM Cc1nc(Cl)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833000785 601591124 /nfs/dbraw/zinc/59/11/24/601591124.db2.gz OQDSUAPBYPAYPR-SNVBAGLBSA-N -1 0 336.756 2.959 20 30 EFEDRM CCCc1c(C(=O)OCc2ccnc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC000829562699 601599528 /nfs/dbraw/zinc/59/95/28/601599528.db2.gz QUSWBQVJEWOTBA-UHFFFAOYSA-N -1 0 327.340 2.598 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000826722309 601603707 /nfs/dbraw/zinc/60/37/07/601603707.db2.gz GKXQIONXTXBXAY-MRXNPFEDSA-N -1 0 344.411 2.723 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(F)c(F)c2)C(=O)[O-])cc1 ZINC000833070847 601608217 /nfs/dbraw/zinc/60/82/17/601608217.db2.gz BEJDGXPCUQFEMT-INIZCTEOSA-N -1 0 331.274 2.748 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000831837376 601608936 /nfs/dbraw/zinc/60/89/36/601608936.db2.gz YGDDYTMNVPUNDM-GUYCJALGSA-N -1 0 340.379 2.859 20 30 EFEDRM C[C@H](CC#N)N(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000828311538 601632542 /nfs/dbraw/zinc/63/25/42/601632542.db2.gz ZJKQCCRPIDLILC-GHMZBOCLSA-N -1 0 349.456 2.744 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000833068763 601661465 /nfs/dbraw/zinc/66/14/65/601661465.db2.gz LNQLFXPBOMLBJA-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM C#CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCCC1 ZINC000825614407 601664254 /nfs/dbraw/zinc/66/42/54/601664254.db2.gz NEBOYLRVXRTQOF-UHFFFAOYSA-N -1 0 334.441 2.879 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC000833068583 601676931 /nfs/dbraw/zinc/67/69/31/601676931.db2.gz CPLQGVACPIKEOO-LLVKDONJSA-N -1 0 328.274 2.665 20 30 EFEDRM CC[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000818308182 601677185 /nfs/dbraw/zinc/67/71/85/601677185.db2.gz PVCHUXYKKUQBQA-QGZVFWFLSA-N -1 0 338.363 2.730 20 30 EFEDRM N#Cc1cc(F)c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c(F)c1 ZINC000833069206 601684557 /nfs/dbraw/zinc/68/45/57/601684557.db2.gz XHZUKWPBWBPRQP-UHFFFAOYSA-N -1 0 334.253 2.707 20 30 EFEDRM C[C@H]1CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828394797 601716216 /nfs/dbraw/zinc/71/62/16/601716216.db2.gz SSRMAEFCJVGATM-HNAYVOBHSA-N -1 0 333.387 2.879 20 30 EFEDRM N#Cc1ccc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C(F)(F)F ZINC000833073533 601728479 /nfs/dbraw/zinc/72/84/79/601728479.db2.gz QLHHFODTBSQSDY-ZDUSSCGKSA-N -1 0 345.252 2.608 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)CSc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000833072159 601735107 /nfs/dbraw/zinc/73/51/07/601735107.db2.gz KXOWCDZKVAXXRH-INIZCTEOSA-N -1 0 343.360 2.725 20 30 EFEDRM N#CCn1c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC000833069179 601754990 /nfs/dbraw/zinc/75/49/90/601754990.db2.gz OBXSGUHZXGKTFJ-QGZVFWFLSA-N -1 0 339.395 2.928 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000827038528 601785154 /nfs/dbraw/zinc/78/51/54/601785154.db2.gz QAQSHFMZABYVCU-WCQYABFASA-N -1 0 331.372 2.530 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(CCC#N)Cc1ccco1 ZINC000832916035 601799598 /nfs/dbraw/zinc/79/95/98/601799598.db2.gz NEHYHSYTCIRRSW-UHFFFAOYSA-N -1 0 341.367 2.641 20 30 EFEDRM N#CCn1c(C(=O)N2CCC(CCC(=O)[O-])CC2)cc2ccccc21 ZINC000833068703 601818135 /nfs/dbraw/zinc/81/81/35/601818135.db2.gz ALPSOPKRXGDKNE-UHFFFAOYSA-N -1 0 339.395 2.882 20 30 EFEDRM N#Cc1ccccc1OCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833074775 601875492 /nfs/dbraw/zinc/87/54/92/601875492.db2.gz CAPHZSONZIHVAX-UHFFFAOYSA-N -1 0 343.360 2.719 20 30 EFEDRM C[C@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000828127414 601896258 /nfs/dbraw/zinc/89/62/58/601896258.db2.gz DDYUOTQJIRTWFI-AZUAARDMSA-N -1 0 336.391 2.932 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000827879390 601915218 /nfs/dbraw/zinc/91/52/18/601915218.db2.gz OLXYKIAVXGRIGO-IAOVAPTHSA-N -1 0 344.411 2.865 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000827879392 601915328 /nfs/dbraw/zinc/91/53/28/601915328.db2.gz OLXYKIAVXGRIGO-RRQGHBQHSA-N -1 0 344.411 2.865 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000821336156 601926173 /nfs/dbraw/zinc/92/61/73/601926173.db2.gz QGIHSBKHXMUJKQ-GOSISDBHSA-N -1 0 349.390 2.542 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000831977928 601959696 /nfs/dbraw/zinc/95/96/96/601959696.db2.gz VUJKXIIRYVJLHW-DXWDOBMASA-N -1 0 339.347 2.777 20 30 EFEDRM CN(C(=O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830522932 601999062 /nfs/dbraw/zinc/99/90/62/601999062.db2.gz DJNRIXZNMSIMIR-OAHLLOKOSA-N -1 0 348.280 2.873 20 30 EFEDRM N#C[C@@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000833064743 602007458 /nfs/dbraw/zinc/00/74/58/602007458.db2.gz NBBAOEYNOWWGIN-LLVKDONJSA-N -1 0 327.262 2.827 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000833068415 602009583 /nfs/dbraw/zinc/00/95/83/602009583.db2.gz YMDSSZIBXJQDQI-UHFFFAOYSA-N -1 0 331.349 2.635 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077462 602015713 /nfs/dbraw/zinc/01/57/13/602015713.db2.gz TYGQQFDKXQVHRX-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM N#CCSc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000319724703 602023812 /nfs/dbraw/zinc/02/38/12/602023812.db2.gz GFIFXQVPPNGHAE-UHFFFAOYSA-N -1 0 326.377 2.930 20 30 EFEDRM COc1ccc(CNN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794895695 602072374 /nfs/dbraw/zinc/07/23/74/602072374.db2.gz HIKAYPPDBHVNON-ZDUSSCGKSA-N -1 0 328.368 2.671 20 30 EFEDRM COc1ccc(CNN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794895694 602072491 /nfs/dbraw/zinc/07/24/91/602072491.db2.gz HIKAYPPDBHVNON-CYBMUJFWSA-N -1 0 328.368 2.671 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794901112 602074014 /nfs/dbraw/zinc/07/40/14/602074014.db2.gz AHURFQJZUBLZQT-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831949957 602095009 /nfs/dbraw/zinc/09/50/09/602095009.db2.gz IXAIUDYTAYIRMO-HNNXBMFYSA-N -1 0 329.283 2.689 20 30 EFEDRM COC(=O)c1cc(NCc2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1 ZINC000831323124 602099143 /nfs/dbraw/zinc/09/91/43/602099143.db2.gz RUOSVUZWNRONFQ-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM CCc1nnc(NCCOc2ccc(C(=O)[O-])cc2)c(C#N)c1CC ZINC000830335154 602118919 /nfs/dbraw/zinc/11/89/19/602118919.db2.gz KBYVQOJLSGIGGI-UHFFFAOYSA-N -1 0 340.383 2.662 20 30 EFEDRM CC(C)Oc1cncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000827065746 602149117 /nfs/dbraw/zinc/14/91/17/602149117.db2.gz AQZFBJBLSIYULP-INIZCTEOSA-N -1 0 340.335 2.723 20 30 EFEDRM CSc1cc(C(=O)N(CC#N)CC(=O)[O-])c(Cl)cc1Cl ZINC000832770974 602151461 /nfs/dbraw/zinc/15/14/61/602151461.db2.gz RLTDBWPAWCHKPG-UHFFFAOYSA-N -1 0 333.196 2.766 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCCc2ccccc2F)cc1)C(=O)[O-] ZINC000794917537 602180115 /nfs/dbraw/zinc/18/01/15/602180115.db2.gz DLFBAWOQAJFOTM-CYBMUJFWSA-N -1 0 330.359 2.844 20 30 EFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000828764677 602182654 /nfs/dbraw/zinc/18/26/54/602182654.db2.gz LILONMBCNQGFMF-SLEUVZQESA-N -1 0 330.384 2.958 20 30 EFEDRM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000829430624 602182700 /nfs/dbraw/zinc/18/27/00/602182700.db2.gz IDEWSWYSDGCCST-IUODEOHRSA-N -1 0 330.384 2.787 20 30 EFEDRM CC(N=Nc1ncnc2ccsc21)c1ccc(OCC(=O)[O-])cc1 ZINC000825809470 602185025 /nfs/dbraw/zinc/18/50/25/602185025.db2.gz WMBRMLWWFOZEAK-UHFFFAOYSA-N -1 0 342.380 2.991 20 30 EFEDRM C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000827240929 602185706 /nfs/dbraw/zinc/18/57/06/602185706.db2.gz PDNHXJQVSGENBY-MFKMUULPSA-N -1 0 339.376 2.969 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825966884 602223508 /nfs/dbraw/zinc/22/35/08/602223508.db2.gz OTPRGQZCTAIEGZ-LLVKDONJSA-N -1 0 327.340 2.584 20 30 EFEDRM C=CCn1c(SCc2occc2C(=O)[O-])nnc1-c1cnccn1 ZINC000825710839 602241901 /nfs/dbraw/zinc/24/19/01/602241901.db2.gz CYMIJOIKZOCDOS-UHFFFAOYSA-N -1 0 343.368 2.505 20 30 EFEDRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000827332959 602276934 /nfs/dbraw/zinc/27/69/34/602276934.db2.gz GDANUTARSLPANG-KPENOIPVSA-N -1 0 345.395 2.521 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000821324347 602282019 /nfs/dbraw/zinc/28/20/19/602282019.db2.gz BEIQHLZGXIEJJD-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-] ZINC000818623331 602282208 /nfs/dbraw/zinc/28/22/08/602282208.db2.gz ITOLWHCQHHKMIG-NSHDSACASA-N -1 0 337.351 2.596 20 30 EFEDRM CN(C(=O)[O-])c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 ZINC000830508168 602285327 /nfs/dbraw/zinc/28/53/27/602285327.db2.gz SXRPZIMIXXPIQG-UHFFFAOYSA-N -1 0 338.319 2.520 20 30 EFEDRM N#Cc1cccc(SCCCN2C(=O)CS/C2=C\C(=O)[O-])c1 ZINC000833075436 602290695 /nfs/dbraw/zinc/29/06/95/602290695.db2.gz RSKKJEANUBNHMG-ZSOIEALJSA-N -1 0 334.422 2.542 20 30 EFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc(C(=O)[O-])c(F)c3)C2=O)cc1 ZINC000833072969 602302754 /nfs/dbraw/zinc/30/27/54/602302754.db2.gz BTGINMMJLGUFMF-MRXNPFEDSA-N -1 0 339.326 2.613 20 30 EFEDRM Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000832881930 602313159 /nfs/dbraw/zinc/31/31/59/602313159.db2.gz WVZVTXCYKGQXPH-UHFFFAOYSA-N -1 0 344.327 2.516 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2cc(C#N)ccc2C)c1C ZINC000832910493 602319329 /nfs/dbraw/zinc/31/93/29/602319329.db2.gz NDYLVURVBALDJO-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832910596 602319499 /nfs/dbraw/zinc/31/94/99/602319499.db2.gz USFWPYIWAOSICW-RMKNXTFCSA-N -1 0 343.360 2.732 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738427239 602461958 /nfs/dbraw/zinc/46/19/58/602461958.db2.gz YJRFUNYTKASBPW-UHFFFAOYSA-N -1 0 325.324 2.860 20 30 EFEDRM CN(CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000737396884 602573953 /nfs/dbraw/zinc/57/39/53/602573953.db2.gz JUAKMOSIWCIRGB-UHFFFAOYSA-N -1 0 325.324 2.899 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737019318 603262782 /nfs/dbraw/zinc/26/27/82/603262782.db2.gz FPTSSGAXBNJCEP-INIZCTEOSA-N -1 0 344.415 2.622 20 30 EFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736470879 603302763 /nfs/dbraw/zinc/30/27/63/603302763.db2.gz BJSMBBJHDJLHEQ-INIZCTEOSA-N -1 0 344.415 2.621 20 30 EFEDRM C#CCOc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736089222 604251355 /nfs/dbraw/zinc/25/13/55/604251355.db2.gz HYNMGDRFIFSGEO-UHFFFAOYSA-N -1 0 338.363 2.761 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825632129 604289378 /nfs/dbraw/zinc/28/93/78/604289378.db2.gz SKATUWGCEJEXDH-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000817847339 604318238 /nfs/dbraw/zinc/31/82/38/604318238.db2.gz FVNCMCRCGUQDNF-UHFFFAOYSA-N -1 0 338.363 2.981 20 30 EFEDRM Cn1cnc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1 ZINC000833057506 604368561 /nfs/dbraw/zinc/36/85/61/604368561.db2.gz ASXRHRBJCMZDHE-UHFFFAOYSA-N -1 0 345.358 2.770 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000826642479 604405850 /nfs/dbraw/zinc/40/58/50/604405850.db2.gz ZYLHLFYGYPBYNI-UHFFFAOYSA-N -1 0 339.347 2.948 20 30 EFEDRM CCNc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1 ZINC000829813142 604431108 /nfs/dbraw/zinc/43/11/08/604431108.db2.gz FWVHEXUFBNGKIS-GFCCVEGCSA-N -1 0 345.380 2.738 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000824550003 604468811 /nfs/dbraw/zinc/46/88/11/604468811.db2.gz DHZUXEJHKBLCBR-SNVBAGLBSA-N -1 0 334.401 2.565 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833540987 604497842 /nfs/dbraw/zinc/49/78/42/604497842.db2.gz OYJUXNWZERUTKO-OPFPJEHXSA-N -1 0 331.368 2.902 20 30 EFEDRM CC(C)C[C@@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000833479689 604502239 /nfs/dbraw/zinc/50/22/39/604502239.db2.gz FHNWPUVVYWGARN-GFCCVEGCSA-N -1 0 340.832 2.919 20 30 EFEDRM CC(C)Oc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000833506720 604516433 /nfs/dbraw/zinc/51/64/33/604516433.db2.gz ISVLIQHHYNVLAL-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)cc1 ZINC000327045396 604523721 /nfs/dbraw/zinc/52/37/21/604523721.db2.gz QWZQYONFYAEPDJ-UHFFFAOYSA-N -1 0 339.347 2.989 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000826090638 604535526 /nfs/dbraw/zinc/53/55/26/604535526.db2.gz VISHOWXRAFAEIJ-HNNXBMFYSA-N -1 0 329.400 2.784 20 30 EFEDRM Cc1cc([C@H](C)OC(=O)COc2ccccc2C#N)oc1C(=O)[O-] ZINC000832872984 604545211 /nfs/dbraw/zinc/54/52/11/604545211.db2.gz YNTATMUBELISAN-NSHDSACASA-N -1 0 329.308 2.841 20 30 EFEDRM C[C@@H]1CCc2c(sc(=O)n2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833617475 604549492 /nfs/dbraw/zinc/54/94/92/604549492.db2.gz SBMOWQCYQNYIBI-SNVBAGLBSA-N -1 0 328.393 2.653 20 30 EFEDRM Cc1cc([C@@H](C)OC(=O)CNc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872050 604570888 /nfs/dbraw/zinc/57/08/88/604570888.db2.gz LSHOFOFJSTWMBL-LLVKDONJSA-N -1 0 328.324 2.874 20 30 EFEDRM C#CCOCCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833364049 604589696 /nfs/dbraw/zinc/58/96/96/604589696.db2.gz IEKKZGZBSJLOSA-CYBMUJFWSA-N -1 0 331.151 2.702 20 30 EFEDRM CC1CC(C#N)(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000828156596 604603712 /nfs/dbraw/zinc/60/37/12/604603712.db2.gz OGBIIJGXCOOHPN-UHFFFAOYSA-N -1 0 337.759 2.900 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1(C#N)CC(C)C1 ZINC000832916073 604604961 /nfs/dbraw/zinc/60/49/61/604604961.db2.gz KVTSGLYEUFGIIB-UNYNQTTQSA-N -1 0 344.367 2.503 20 30 EFEDRM Cc1ccc(F)c(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832934975 604608840 /nfs/dbraw/zinc/60/88/40/604608840.db2.gz SYXNXUMUGOHUIV-KRWDZBQOSA-N -1 0 343.310 2.754 20 30 EFEDRM Cc1nc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)s1 ZINC000832999563 604611540 /nfs/dbraw/zinc/61/15/40/604611540.db2.gz YIELNMPEDXWTQL-HNNXBMFYSA-N -1 0 330.365 2.543 20 30 EFEDRM C=CCC(CC=C)C(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000833371166 604611734 /nfs/dbraw/zinc/61/17/34/604611734.db2.gz PTVGTJZCLCAVTB-LLVKDONJSA-N -1 0 348.374 2.736 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833360121 604638341 /nfs/dbraw/zinc/63/83/41/604638341.db2.gz DEUKOXAWDGCXJW-QGZVFWFLSA-N -1 0 343.404 2.569 20 30 EFEDRM C#CCNC(=S)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000833365976 604676964 /nfs/dbraw/zinc/67/69/64/604676964.db2.gz ZZXRDJUNSJMPDH-UHFFFAOYSA-N -1 0 334.400 2.704 20 30 EFEDRM C=CCC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000825665362 604691771 /nfs/dbraw/zinc/69/17/71/604691771.db2.gz YYRKUBJTNHIBPS-HZPDHXFCSA-N -1 0 332.400 2.579 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cs1 ZINC000833375673 604694175 /nfs/dbraw/zinc/69/41/75/604694175.db2.gz HVUDMKJYFPDOQB-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM C=CCNc1ncc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000825692572 604741979 /nfs/dbraw/zinc/74/19/79/604741979.db2.gz YZTTZQYZGKICNW-NSHDSACASA-N -1 0 329.381 2.570 20 30 EFEDRM C=C[C@H](CC(=O)Nc1nnc(CCC(=O)[O-])s1)c1ccccc1 ZINC000833370570 604753319 /nfs/dbraw/zinc/75/33/19/604753319.db2.gz DGUWUCDQABSMDA-LLVKDONJSA-N -1 0 331.397 2.854 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1SCCS1 ZINC000833379737 604754307 /nfs/dbraw/zinc/75/43/07/604754307.db2.gz LNYGENATWMZOAE-UHFFFAOYSA-N -1 0 340.422 2.833 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000825676114 604780320 /nfs/dbraw/zinc/78/03/20/604780320.db2.gz VIYDTVZCTCYEHG-AWEZNQCLSA-N -1 0 346.427 2.769 20 30 EFEDRM CC1CC(C#N)(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828150532 604780396 /nfs/dbraw/zinc/78/03/96/604780396.db2.gz QZNBXDFBAGXSCY-UHFFFAOYSA-N -1 0 341.411 2.728 20 30 EFEDRM CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)c1cn(CC(=O)[O-])nn1 ZINC000825804661 604785072 /nfs/dbraw/zinc/78/50/72/604785072.db2.gz SBHYGEZWAWMQKK-LBPRGKRZSA-N -1 0 329.404 2.561 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000777376514 604815335 /nfs/dbraw/zinc/81/53/35/604815335.db2.gz BHEOXPWAJLSZCM-UHFFFAOYSA-N -1 0 335.359 2.595 20 30 EFEDRM N#Cc1c(Cl)nsc1NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000833761339 604829426 /nfs/dbraw/zinc/82/94/26/604829426.db2.gz VXVOTYVOAMJKAD-SECBINFHSA-N -1 0 337.788 2.729 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833369225 604848635 /nfs/dbraw/zinc/84/86/35/604848635.db2.gz KKUKVFOQQQANTA-CQSZACIVSA-N -1 0 330.428 2.556 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(OC)c(C#N)c2)cc(C(=O)[O-])c1 ZINC000833714227 604874103 /nfs/dbraw/zinc/87/41/03/604874103.db2.gz PBDZEZGDZMBDOW-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000833417758 604884734 /nfs/dbraw/zinc/88/47/34/604884734.db2.gz XIABLKZHAZQSPN-ZDUSSCGKSA-N -1 0 330.384 2.552 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000777396585 604890725 /nfs/dbraw/zinc/89/07/25/604890725.db2.gz ABUXBROOXXSKRV-HNNXBMFYSA-N -1 0 329.396 2.662 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000833414942 604894287 /nfs/dbraw/zinc/89/42/87/604894287.db2.gz HDWFOQCHNDUQCQ-ZNFPLGDCSA-N -1 0 326.396 2.921 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000833413063 604897649 /nfs/dbraw/zinc/89/76/49/604897649.db2.gz BJZGMYZEOXQIRC-CQSZACIVSA-N -1 0 346.452 3.000 20 30 EFEDRM C=CCc1cc(C(=O)Nc2cncc(C(=O)[O-])c2)cc(OC)c1OC ZINC000825702714 604903854 /nfs/dbraw/zinc/90/38/54/604903854.db2.gz WPLWIHAEELMWKN-UHFFFAOYSA-N -1 0 342.351 2.778 20 30 EFEDRM N#CC1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000833062512 604923703 /nfs/dbraw/zinc/92/37/03/604923703.db2.gz MRFMFEHSHVRJJA-UHFFFAOYSA-N -1 0 337.763 2.571 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000833732101 604927101 /nfs/dbraw/zinc/92/71/01/604927101.db2.gz LGQQJEXZFUCKMH-KRWDZBQOSA-N -1 0 338.363 2.821 20 30 EFEDRM CCc1nc(NC(=O)/C=C/c2ccccc2C#N)sc1C(=O)[O-] ZINC000833675794 604992855 /nfs/dbraw/zinc/99/28/55/604992855.db2.gz HNIMQUHMWUOFEC-BQYQJAHWSA-N -1 0 327.365 2.927 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC000833365995 604995927 /nfs/dbraw/zinc/99/59/27/604995927.db2.gz ATOBGLIGIATKKT-UHFFFAOYSA-N -1 0 330.365 2.668 20 30 EFEDRM C#CCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833362655 605009390 /nfs/dbraw/zinc/00/93/90/605009390.db2.gz CRLGRSWGYHSIKP-HNNXBMFYSA-N -1 0 328.412 2.616 20 30 EFEDRM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833362844 605019900 /nfs/dbraw/zinc/01/99/00/605019900.db2.gz MWNNVNWLCFIZBM-ZDUSSCGKSA-N -1 0 331.368 2.757 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000833368051 605024210 /nfs/dbraw/zinc/02/42/10/605024210.db2.gz DQBZXODOSLNNRX-UHFFFAOYSA-N -1 0 329.377 2.581 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)Nc1ccccc1F ZINC000833405277 605037738 /nfs/dbraw/zinc/03/77/38/605037738.db2.gz CLKSITRMYKNCPH-SNVBAGLBSA-N -1 0 334.376 2.593 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000833405722 605039624 /nfs/dbraw/zinc/03/96/24/605039624.db2.gz HDLASCCNGKKSIP-VIFPVBQESA-N -1 0 326.278 2.994 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)nc1 ZINC000833408146 605040375 /nfs/dbraw/zinc/04/03/75/605040375.db2.gz WYZDCKFNPAHXON-SECBINFHSA-N -1 0 337.177 2.737 20 30 EFEDRM C[C@H](C(=O)[O-])n1cccc1C=NNc1cncc(Br)c1 ZINC000833406083 605040675 /nfs/dbraw/zinc/04/06/75/605040675.db2.gz LHIRRZCWSYZLPR-SECBINFHSA-N -1 0 337.177 2.737 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833537392 605053849 /nfs/dbraw/zinc/05/38/49/605053849.db2.gz JVHHVEFBZGJMGI-ZDUSSCGKSA-N -1 0 339.347 2.696 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833372918 605057500 /nfs/dbraw/zinc/05/75/00/605057500.db2.gz ATQSPNSQCAUOLV-SNVBAGLBSA-N -1 0 338.791 2.838 20 30 EFEDRM C=CCn1c(C)cc(C(=O)COC(=O)C2CCC(C(=O)[O-])CC2)c1C ZINC000833379569 605074509 /nfs/dbraw/zinc/07/45/09/605074509.db2.gz GZDIKKQHXBDQRF-UHFFFAOYSA-N -1 0 347.411 2.908 20 30 EFEDRM C=CCOc1cccnc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000833379022 605078058 /nfs/dbraw/zinc/07/80/58/605078058.db2.gz UPUKDCJSHSEUKV-UHFFFAOYSA-N -1 0 331.299 2.841 20 30 EFEDRM CC(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000833509214 605078675 /nfs/dbraw/zinc/07/86/75/605078675.db2.gz HEDDEEHWBAFUCK-INIZCTEOSA-N -1 0 340.335 2.765 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833373104 605084299 /nfs/dbraw/zinc/08/42/99/605084299.db2.gz FZACAUOVJCFOGT-SNVBAGLBSA-N -1 0 337.351 2.715 20 30 EFEDRM CN(CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1C(=O)[O-] ZINC000833692867 605085467 /nfs/dbraw/zinc/08/54/67/605085467.db2.gz ZNZMHOHHYLOJKA-UHFFFAOYSA-N -1 0 343.770 2.985 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000833636578 605087097 /nfs/dbraw/zinc/08/70/97/605087097.db2.gz WLUIBMHRBYKLOB-GPANFISMSA-N -1 0 344.411 2.875 20 30 EFEDRM C=CCCOCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833375077 605094434 /nfs/dbraw/zinc/09/44/34/605094434.db2.gz VEQSAPKRPRQNMI-UHFFFAOYSA-N -1 0 328.162 2.679 20 30 EFEDRM O=C([O-])c1ccccc1NN=C1C(=O)Nc2cc3c(cc21)OCCO3 ZINC000013459434 605099890 /nfs/dbraw/zinc/09/98/90/605099890.db2.gz JEGDDAFFHLZVHQ-UHFFFAOYSA-N -1 0 339.307 2.574 20 30 EFEDRM C=CCN(C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C(C)C ZINC000833374986 605130685 /nfs/dbraw/zinc/13/06/85/605130685.db2.gz CLOAMBHMRZQUMU-UHFFFAOYSA-N -1 0 340.401 2.970 20 30 EFEDRM C=CCN(C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-])C(C)C ZINC000833375357 605130692 /nfs/dbraw/zinc/13/06/92/605130692.db2.gz SLWYHMSFTDONPJ-UHFFFAOYSA-N -1 0 347.415 2.650 20 30 EFEDRM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132552480 605131644 /nfs/dbraw/zinc/13/16/44/605131644.db2.gz GUXMXLMIRMZLOW-MRVPVSSYSA-N -1 0 340.177 2.913 20 30 EFEDRM CC(C)c1nc(C#N)c(N=NCc2ccc(OCC(=O)[O-])cc2)o1 ZINC000745624990 605151768 /nfs/dbraw/zinc/15/17/68/605151768.db2.gz RGNKQCPUFHILQA-UHFFFAOYSA-N -1 0 328.328 2.579 20 30 EFEDRM Cn1nnc2cc(C=NNc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC000833759484 605158067 /nfs/dbraw/zinc/15/80/67/605158067.db2.gz KAAUURPDXVFUED-UHFFFAOYSA-N -1 0 329.747 2.766 20 30 EFEDRM C=CCNC(=O)[C@@H](C)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833377453 605158824 /nfs/dbraw/zinc/15/88/24/605158824.db2.gz XVKAQBNOFUCVPG-LLVKDONJSA-N -1 0 346.408 2.964 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833376500 605173731 /nfs/dbraw/zinc/17/37/31/605173731.db2.gz XMANNIFRNAHZMQ-UHFFFAOYSA-N -1 0 336.351 2.872 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)O1 ZINC000833581541 605187683 /nfs/dbraw/zinc/18/76/83/605187683.db2.gz OZTNBLUNNCACQO-GFCCVEGCSA-N -1 0 344.754 2.674 20 30 EFEDRM C#CCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000833362515 605192450 /nfs/dbraw/zinc/19/24/50/605192450.db2.gz WBZUAYUCSWAJJT-OAHLLOKOSA-N -1 0 341.238 2.760 20 30 EFEDRM Cc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC000833750954 605192863 /nfs/dbraw/zinc/19/28/63/605192863.db2.gz JCHGNKOVUBIXRP-UHFFFAOYSA-N -1 0 331.349 2.527 20 30 EFEDRM C#CCOc1cccc(N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC000833367376 605195444 /nfs/dbraw/zinc/19/54/44/605195444.db2.gz WFJFTVHONCWJSQ-KRWDZBQOSA-N -1 0 339.347 2.723 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccncc1 ZINC000833370812 605203621 /nfs/dbraw/zinc/20/36/21/605203621.db2.gz NNDPIGAFUYMZEQ-OAHLLOKOSA-N -1 0 346.408 2.684 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3c(c(C)c2C#N)CCC3)O1 ZINC000833582142 605234604 /nfs/dbraw/zinc/23/46/04/605234604.db2.gz SPQLOBAOSJJVNZ-LLVKDONJSA-N -1 0 330.409 2.990 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000833379091 605248150 /nfs/dbraw/zinc/24/81/50/605248150.db2.gz ZHIVIHMUWLTTQS-UHFFFAOYSA-N -1 0 347.392 2.892 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833471544 605251937 /nfs/dbraw/zinc/25/19/37/605251937.db2.gz OLOKLWQMOABBSA-INIZCTEOSA-N -1 0 339.351 2.694 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833471546 605251976 /nfs/dbraw/zinc/25/19/76/605251976.db2.gz OLOKLWQMOABBSA-MRXNPFEDSA-N -1 0 339.351 2.694 20 30 EFEDRM C=CCNc1ncc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000823511332 605290547 /nfs/dbraw/zinc/29/05/47/605290547.db2.gz URXVXSIGMBTAHW-UHFFFAOYSA-N -1 0 346.412 2.803 20 30 EFEDRM C#Cc1cccc(NC(=S)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000833367404 605322429 /nfs/dbraw/zinc/32/24/29/605322429.db2.gz KXWPDRPFBRSWGX-UHFFFAOYSA-N -1 0 340.404 2.965 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC000833386895 605322889 /nfs/dbraw/zinc/32/28/89/605322889.db2.gz BBSIYWJWJTZFPB-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM Cc1nc(Cl)cc(N=NC(C)c2ccccc2OCC(=O)[O-])n1 ZINC000833386638 605330387 /nfs/dbraw/zinc/33/03/87/605330387.db2.gz NZBVJOSGZOGCKK-UHFFFAOYSA-N -1 0 334.763 2.738 20 30 EFEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380956 605334509 /nfs/dbraw/zinc/33/45/09/605334509.db2.gz VGWZNDRRUOVERS-JTQLQIEISA-N -1 0 328.756 2.570 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000824024934 605371801 /nfs/dbraw/zinc/37/18/01/605371801.db2.gz JQDJYBQBKDWMJP-UHFFFAOYSA-N -1 0 345.273 2.526 20 30 EFEDRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(C#N)c1 ZINC000833522632 605401200 /nfs/dbraw/zinc/40/12/00/605401200.db2.gz OVMGRNGGNTXKST-ZDUSSCGKSA-N -1 0 329.400 2.954 20 30 EFEDRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(C#N)c1 ZINC000833522631 605401481 /nfs/dbraw/zinc/40/14/81/605401481.db2.gz OVMGRNGGNTXKST-CYBMUJFWSA-N -1 0 329.400 2.954 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833375945 605421806 /nfs/dbraw/zinc/42/18/06/605421806.db2.gz JZBRHYJZUFUZEE-UHFFFAOYSA-N -1 0 335.381 2.922 20 30 EFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833432756 605578209 /nfs/dbraw/zinc/57/82/09/605578209.db2.gz RGPQWIYCGGVQMD-HNNXBMFYSA-N -1 0 338.385 2.646 20 30 EFEDRM C#Cc1cccc(NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000833367205 605706718 /nfs/dbraw/zinc/70/67/18/605706718.db2.gz IXYZZSBZWGLDRJ-UHFFFAOYSA-N -1 0 335.363 2.960 20 30 EFEDRM CN(Cc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1)C(=O)[O-] ZINC000833695961 605712243 /nfs/dbraw/zinc/71/22/43/605712243.db2.gz ZHVNKOKVRHHLKW-UHFFFAOYSA-N -1 0 330.388 2.954 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2cc(C(=O)[O-])ccc2F)cs1 ZINC000833375670 605808434 /nfs/dbraw/zinc/80/84/34/605808434.db2.gz HTMZPCWSVZWNKL-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000819713621 605891434 /nfs/dbraw/zinc/89/14/34/605891434.db2.gz XQLRCPKAWZJPNV-UHFFFAOYSA-N -1 0 344.392 2.600 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)cs1 ZINC000822922261 606306651 /nfs/dbraw/zinc/30/66/51/606306651.db2.gz DZJOIPJKZPYSDZ-UPHRSURJSA-N -1 0 332.366 2.584 20 30 EFEDRM CCc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)o1 ZINC000821481397 607148388 /nfs/dbraw/zinc/14/83/88/607148388.db2.gz JEWUSHPGOGXAQV-UHFFFAOYSA-N -1 0 329.364 2.754 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(C)o1 ZINC000826266131 608473642 /nfs/dbraw/zinc/47/36/42/608473642.db2.gz CSXHUXMTBYGHGM-UHFFFAOYSA-N -1 0 329.364 2.808 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCO[C@@H](C(C)C)C2)o1 ZINC000824352407 609159850 /nfs/dbraw/zinc/15/98/50/609159850.db2.gz CMKAKKXMEDVDSJ-LLVKDONJSA-N -1 0 333.396 2.581 20 30 EFEDRM C=CCC(F)(F)C(=O)[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000851170017 1250838908 /nfs/dbraw/zinc/83/89/08/1250838908.db2.gz LSUWOEREZASDTG-UHFFFAOYSA-N -1 0 341.738 2.637 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000121416244 1248282665 /nfs/dbraw/zinc/28/26/65/1248282665.db2.gz XWJMZDHMEIEEQT-INIZCTEOSA-N -1 0 342.782 2.987 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850718187 1250575005 /nfs/dbraw/zinc/57/50/05/1250575005.db2.gz FYVDVKCBKJPZJL-LBPRGKRZSA-N -1 0 347.440 2.725 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000850738682 1250586978 /nfs/dbraw/zinc/58/69/78/1250586978.db2.gz AFVSDEVKIPEUQE-ZSHCYNCHSA-N -1 0 332.425 2.580 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnc2n1CCC2 ZINC000850740131 1250589368 /nfs/dbraw/zinc/58/93/68/1250589368.db2.gz SVWQJUVWUWPLGX-ZDUSSCGKSA-N -1 0 332.363 2.824 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)nc2ccccc21 ZINC000850752547 1250593818 /nfs/dbraw/zinc/59/38/18/1250593818.db2.gz PTBVJROTSWGBIP-OAHLLOKOSA-N -1 0 339.395 2.872 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1C(F)(F)F ZINC000850752480 1250593894 /nfs/dbraw/zinc/59/38/94/1250593894.db2.gz OPYUGCVSJWRKKS-NSHDSACASA-N -1 0 340.301 2.659 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000850806395 1250626835 /nfs/dbraw/zinc/62/68/35/1250626835.db2.gz VDXSFGLHSXFZSS-FVQHAEBGSA-N -1 0 346.452 2.721 20 30 EFEDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000850888067 1250668221 /nfs/dbraw/zinc/66/82/21/1250668221.db2.gz MGAQQEWAOVCSDT-UHFFFAOYSA-N -1 0 338.404 2.803 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000850926497 1250691593 /nfs/dbraw/zinc/69/15/93/1250691593.db2.gz NDELDISDAYPWSL-CQSZACIVSA-N -1 0 342.848 2.973 20 30 EFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000850926493 1250692362 /nfs/dbraw/zinc/69/23/62/1250692362.db2.gz NDELDISDAYPWSL-AWEZNQCLSA-N -1 0 342.848 2.973 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850928504 1250694094 /nfs/dbraw/zinc/69/40/94/1250694094.db2.gz DKQBWVQPHUSNLE-HDJSIYSDSA-N -1 0 326.462 2.589 20 30 EFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000850948014 1250705690 /nfs/dbraw/zinc/70/56/90/1250705690.db2.gz LDPOZKGAQDKUTA-JLHYYAGUSA-N -1 0 336.413 2.603 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000850976983 1250723491 /nfs/dbraw/zinc/72/34/91/1250723491.db2.gz KNWNAJLBFPAILK-KBXCAEBGSA-N -1 0 348.402 2.957 20 30 EFEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000851113377 1250804117 /nfs/dbraw/zinc/80/41/17/1250804117.db2.gz ZSNUBKWMGAOQMB-AWEZNQCLSA-N -1 0 343.493 2.753 20 30 EFEDRM C=CCc1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000851625706 1251146157 /nfs/dbraw/zinc/14/61/57/1251146157.db2.gz TXDNANGHKXJJQA-KXBFYZLASA-N -1 0 347.411 2.806 20 30 EFEDRM COc1ccc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C#N ZINC000851651420 1251174301 /nfs/dbraw/zinc/17/43/01/1251174301.db2.gz OYWMNRZTMJCFPF-AWEZNQCLSA-N -1 0 347.415 2.503 20 30 EFEDRM O=[N+]([O-])c1cc(CN=NC(=S)NCc2ccccc2)ccc1[O-] ZINC000254493327 1251353445 /nfs/dbraw/zinc/35/34/45/1251353445.db2.gz PRURLXKXLIJMBE-UHFFFAOYSA-N -1 0 330.369 2.710 20 30 EFEDRM C#Cc1cccc(N(C)C(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])c1 ZINC000181037806 1252603296 /nfs/dbraw/zinc/60/32/96/1252603296.db2.gz ATOFQGPNGPJJIZ-UHFFFAOYSA-N -1 0 347.374 2.844 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000751133538 1265701629 /nfs/dbraw/zinc/70/16/29/1265701629.db2.gz PGPFLNGEQKNIKS-UHFFFAOYSA-N -1 0 329.316 2.805 20 30 EFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000073264074 1253700931 /nfs/dbraw/zinc/70/09/31/1253700931.db2.gz SPRWIWZHMNIBHM-UHFFFAOYSA-N -1 0 329.374 2.898 20 30 EFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000073263732 1253701745 /nfs/dbraw/zinc/70/17/45/1253701745.db2.gz UPGLOYYFXZHGFM-UHFFFAOYSA-N -1 0 329.374 2.898 20 30 EFEDRM N#C[C@@H]1CCCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000921525235 1256913619 /nfs/dbraw/zinc/91/36/19/1256913619.db2.gz POQGQKWCLAVODS-NSHDSACASA-N -1 0 338.205 2.600 20 30 EFEDRM C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2O)CC1 ZINC001060804447 1257106856 /nfs/dbraw/zinc/10/68/56/1257106856.db2.gz XLOBTKJKXOUCPC-SHTZXODSSA-N -1 0 345.443 2.548 20 30 EFEDRM C=C(C)[C@H](C)OC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000755991196 1257266708 /nfs/dbraw/zinc/26/67/08/1257266708.db2.gz NFCSIANSJTUQGL-ZDUSSCGKSA-N -1 0 341.429 2.723 20 30 EFEDRM N#Cc1csc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000083937572 1257805867 /nfs/dbraw/zinc/80/58/67/1257805867.db2.gz PEZWPAIIRLNPIS-UHFFFAOYSA-N -1 0 326.786 2.967 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)CC ZINC000073534269 1259114403 /nfs/dbraw/zinc/11/44/03/1259114403.db2.gz LCAYXKWIUVFBFB-STQMWFEESA-N -1 0 332.466 2.500 20 30 EFEDRM Cc1nn(C)c(C)c1C(=N[N-]c1nccnc1Cl)C(F)(F)F ZINC000733902855 1266272608 /nfs/dbraw/zinc/27/26/08/1266272608.db2.gz BTSFSQVYGAJPEL-UHFFFAOYSA-N -1 0 332.717 2.859 20 30 EFEDRM C#CCCCS(=O)(=O)Nc1cc(F)c(Br)cc1F ZINC000711096199 1259945869 /nfs/dbraw/zinc/94/58/69/1259945869.db2.gz GKKCSHPAXWOJFH-UHFFFAOYSA-N -1 0 338.173 2.882 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3cccnc32)c(F)c1 ZINC000921836706 1262206307 /nfs/dbraw/zinc/20/63/07/1262206307.db2.gz DWWFUXMPURUKCR-CQSZACIVSA-N -1 0 349.362 2.587 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000730150682 1264216731 /nfs/dbraw/zinc/21/67/31/1264216731.db2.gz WNGKUFCKZIBXMR-DAXSKMNVSA-N -1 0 336.390 2.746 20 30 EFEDRM C[C@H](NC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000751530485 1264294112 /nfs/dbraw/zinc/29/41/12/1264294112.db2.gz BULBGVOJDPNSGO-ZETCQYMHSA-N -1 0 342.808 2.550 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(CN=Nc2cncc(Cl)n2)cc1 ZINC000730728070 1264428606 /nfs/dbraw/zinc/42/86/06/1264428606.db2.gz IXYNIDOBHOFIAP-UHFFFAOYSA-N -1 0 342.689 2.632 20 30 EFEDRM O=C([O-])c1ccoc1COc1ccc(CN=Nc2ncccn2)cc1 ZINC000730947764 1264490431 /nfs/dbraw/zinc/49/04/31/1264490431.db2.gz HXFHODIELJTMSS-UHFFFAOYSA-N -1 0 338.323 2.793 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cccc(OCC(=O)[O-])c2)cc1 ZINC000733201328 1265111058 /nfs/dbraw/zinc/11/10/58/1265111058.db2.gz RWFKYFDEBQZGMJ-UHFFFAOYSA-N -1 0 343.408 2.779 20 30 EFEDRM COc1cc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)ccc1O ZINC000733206841 1265125166 /nfs/dbraw/zinc/12/51/66/1265125166.db2.gz QWYRGNGWWUKDJH-FNORWQNLSA-N -1 0 328.320 2.760 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2csc(C)n2)n1 ZINC000733581034 1265297314 /nfs/dbraw/zinc/29/73/14/1265297314.db2.gz QZJBWBXSJIPYLC-GFCCVEGCSA-N -1 0 349.437 2.569 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)C(CC)CC)cc1OC ZINC000733712663 1265386931 /nfs/dbraw/zinc/38/69/31/1265386931.db2.gz ACKJGENWBBYBHI-UHFFFAOYSA-N -1 0 341.429 2.508 20 30 EFEDRM CCC(CC)n1nccc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000132633405 1266499932 /nfs/dbraw/zinc/49/99/32/1266499932.db2.gz HCDSZJSZGZVRPN-MRXNPFEDSA-N -1 0 338.411 2.883 20 30 EFEDRM COc1ccc(C=NNc2cc(F)cc(F)c2)c(OCC(=O)[O-])c1 ZINC000734365187 1266954778 /nfs/dbraw/zinc/95/47/78/1266954778.db2.gz DEBAJVORJZTRSJ-UHFFFAOYSA-N -1 0 336.294 2.883 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1 ZINC000734416521 1266966962 /nfs/dbraw/zinc/96/69/62/1266966962.db2.gz SVZFKIJRKIGAJW-UHFFFAOYSA-N -1 0 347.440 2.894 20 30 EFEDRM O=C1NCCc2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc21 ZINC000735229209 1267232964 /nfs/dbraw/zinc/23/29/64/1267232964.db2.gz VNULHSPWACZHHF-UHFFFAOYSA-N -1 0 345.742 2.990 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC1CCOCC1 ZINC000735398034 1267293814 /nfs/dbraw/zinc/29/38/14/1267293814.db2.gz ZUWDJIXBGFQVAR-OAHLLOKOSA-N -1 0 340.379 2.564 20 30 EFEDRM COc1ccc(CN=Nc2c(F)cccc2F)c(OCC(=O)[O-])c1 ZINC000735614943 1267373905 /nfs/dbraw/zinc/37/39/05/1267373905.db2.gz FVPNCIZXUUNYQI-UHFFFAOYSA-N -1 0 336.294 2.883 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000073838393 1267535707 /nfs/dbraw/zinc/53/57/07/1267535707.db2.gz NBAUMPXDMGEKKU-UHFFFAOYSA-N -1 0 340.445 2.602 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000073838474 1267536209 /nfs/dbraw/zinc/53/62/09/1267536209.db2.gz SFHARFIBIQKGNE-UHFFFAOYSA-N -1 0 338.429 2.858 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000073839116 1267536858 /nfs/dbraw/zinc/53/68/58/1267536858.db2.gz UOYLOXPWQYPORX-IKMFHRHGSA-N -1 0 329.462 2.914 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000073839281 1267538495 /nfs/dbraw/zinc/53/84/95/1267538495.db2.gz RZNDZYQFPCURBJ-SNVBAGLBSA-N -1 0 341.360 2.755 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000073837635 1267553707 /nfs/dbraw/zinc/55/37/07/1267553707.db2.gz RMKOVRNNIAJMMV-UHFFFAOYSA-N -1 0 326.418 2.662 20 30 EFEDRM CC(C)Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000791763139 1278341383 /nfs/dbraw/zinc/34/13/83/1278341383.db2.gz OWSHIYWDQDULKS-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000736345736 1267581633 /nfs/dbraw/zinc/58/16/33/1267581633.db2.gz VOYOFFYCVHGSBD-UHFFFAOYSA-N -1 0 346.580 2.758 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000791763192 1278341899 /nfs/dbraw/zinc/34/18/99/1278341899.db2.gz PFPIIQGVCGBEDJ-UHFFFAOYSA-N -1 0 340.404 2.944 20 30 EFEDRM CC(C)Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000791766106 1278343491 /nfs/dbraw/zinc/34/34/91/1278343491.db2.gz FRYCWXDRPFUKSM-UHFFFAOYSA-N -1 0 342.420 2.875 20 30 EFEDRM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000736539648 1267650600 /nfs/dbraw/zinc/65/06/00/1267650600.db2.gz NWQCBWLFSSQVPB-INIZCTEOSA-N -1 0 338.392 2.866 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)cn2)n1 ZINC000736865269 1267788471 /nfs/dbraw/zinc/78/84/71/1267788471.db2.gz UJBIYURMKJBGRN-JTQLQIEISA-N -1 0 335.772 2.533 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511740 1268065163 /nfs/dbraw/zinc/06/51/63/1268065163.db2.gz CHYXZNMNJFEMTB-UHFFFAOYSA-N -1 0 348.309 2.826 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2occc2s1 ZINC000737316635 1268088884 /nfs/dbraw/zinc/08/88/84/1268088884.db2.gz LJGIPVJBCRTBKT-NSHDSACASA-N -1 0 334.397 2.748 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511888 1268111346 /nfs/dbraw/zinc/11/13/46/1268111346.db2.gz KUUUXGNRHXWRAY-UHFFFAOYSA-N -1 0 331.282 2.732 20 30 EFEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150845 1268404572 /nfs/dbraw/zinc/40/45/72/1268404572.db2.gz ATVPKKJZVBCHRZ-GQCTYLIASA-N -1 0 326.761 2.828 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000133425698 1268548900 /nfs/dbraw/zinc/54/89/00/1268548900.db2.gz PQOIOWQCRBPKGY-CQSZACIVSA-N -1 0 328.393 2.801 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000805888036 1278482231 /nfs/dbraw/zinc/48/22/31/1278482231.db2.gz CXMYMMYDYXZVDA-UHFFFAOYSA-N -1 0 340.470 2.699 20 30 EFEDRM Cc1nnc(NN=C2CCc3ccc(OC(F)(F)F)cc32)[n-]c1=O ZINC000737425219 1269472356 /nfs/dbraw/zinc/47/23/56/1269472356.db2.gz QLSUPUCJEOKXAW-UHFFFAOYSA-N -1 0 339.277 2.547 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000741657914 1269637110 /nfs/dbraw/zinc/63/71/10/1269637110.db2.gz HMPMXVHCZJSFQU-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000741657624 1269638360 /nfs/dbraw/zinc/63/83/60/1269638360.db2.gz SWFYZSQXAMUKMZ-UHFFFAOYSA-N -1 0 344.367 2.819 20 30 EFEDRM COc1ccc(CCNN=Cc2cccc(OCCC(=O)[O-])c2)cc1 ZINC000737440158 1269645695 /nfs/dbraw/zinc/64/56/95/1269645695.db2.gz WVCATOVIBDRIGX-UHFFFAOYSA-N -1 0 342.395 2.715 20 30 EFEDRM C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1c1ccccc1 ZINC000741842435 1269728861 /nfs/dbraw/zinc/72/88/61/1269728861.db2.gz FSJQEBMYPNJWPR-FNQXMLDPSA-N -1 0 339.351 2.913 20 30 EFEDRM C#CCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000743338590 1270543397 /nfs/dbraw/zinc/54/33/97/1270543397.db2.gz IAMFZNHSWNQBNC-UHFFFAOYSA-N -1 0 333.347 2.842 20 30 EFEDRM Cc1ccoc1C=Nn1c(SCC(=O)[O-])nnc1-c1ccoc1C ZINC000743430930 1270573459 /nfs/dbraw/zinc/57/34/59/1270573459.db2.gz ROEVUALZDQVSEK-UHFFFAOYSA-N -1 0 346.368 2.807 20 30 EFEDRM COc1ccc(C=NNc2ccc(Cl)nc2)c(OCC(=O)[O-])c1 ZINC000743450729 1270583613 /nfs/dbraw/zinc/58/36/13/1270583613.db2.gz OZOHYDGGGPAZBF-UHFFFAOYSA-N -1 0 335.747 2.653 20 30 EFEDRM O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000743537970 1270637577 /nfs/dbraw/zinc/63/75/77/1270637577.db2.gz FNNSEYZHIPFCRY-ZVCOJXFSSA-N -1 0 339.351 2.520 20 30 EFEDRM O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000743537962 1270637760 /nfs/dbraw/zinc/63/77/60/1270637760.db2.gz FNNSEYZHIPFCRY-VXIUPONVSA-N -1 0 339.351 2.520 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@H](C)OCC)s1 ZINC000744023498 1270833055 /nfs/dbraw/zinc/83/30/55/1270833055.db2.gz ZYEGUWKEZJMROR-NWDGAFQWSA-N -1 0 337.445 2.869 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000744013656 1270840722 /nfs/dbraw/zinc/84/07/22/1270840722.db2.gz FKYZDCDVNQCCJW-LLVKDONJSA-N -1 0 348.811 2.820 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000737527139 1271022035 /nfs/dbraw/zinc/02/20/35/1271022035.db2.gz ADGXZFFBEQQZSE-UHFFFAOYSA-N -1 0 338.816 2.982 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3cc[nH]c32)n1 ZINC000745544255 1271509183 /nfs/dbraw/zinc/50/91/83/1271509183.db2.gz URATUMZFJWBHFR-ZDUSSCGKSA-N -1 0 339.376 2.966 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000745613748 1271540365 /nfs/dbraw/zinc/54/03/65/1271540365.db2.gz NIZUTYQRRNWGQT-UHFFFAOYSA-N -1 0 329.316 2.805 20 30 EFEDRM CC(C)Cc1nc(C#N)c(N=NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000745613792 1271541877 /nfs/dbraw/zinc/54/18/77/1271541877.db2.gz PNYUWNRWTZBRMM-UHFFFAOYSA-N -1 0 329.316 2.805 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccccc1OCC(=O)[O-] ZINC000747061245 1278653681 /nfs/dbraw/zinc/65/36/81/1278653681.db2.gz FHVHVFLPKCWQOS-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM C[C@@](C#N)(Nc1cccc(S(=O)(=O)[O-])n1)c1ccccc1Cl ZINC001169379694 1272879362 /nfs/dbraw/zinc/87/93/62/1272879362.db2.gz QBHQSLNBQHVIGV-AWEZNQCLSA-N -1 0 337.788 2.833 20 30 EFEDRM Cc1cc(C=N[S@@](=O)C(C)(C)C)cc(NCc2cc(=O)[n-]o2)n1 ZINC001169484532 1272950650 /nfs/dbraw/zinc/95/06/50/1272950650.db2.gz SDIWBMYKTCELJM-KUCZMUFWSA-N -1 0 336.417 2.577 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000805928000 1278896790 /nfs/dbraw/zinc/89/67/90/1278896790.db2.gz JIRHVICWCWIXRT-UHFFFAOYSA-N -1 0 346.811 2.899 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1c(C)noc1C ZINC000792561056 1278900520 /nfs/dbraw/zinc/90/05/20/1278900520.db2.gz BGEMREDREFEFMW-CYBMUJFWSA-N -1 0 346.449 2.774 20 30 EFEDRM CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1cnc(C)s1 ZINC000792562435 1278903705 /nfs/dbraw/zinc/90/37/05/1278903705.db2.gz LKPWPJOHCOYQLD-GFCCVEGCSA-N -1 0 348.490 2.934 20 30 EFEDRM N#Cc1ccc(CNC(=O)COC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000746552047 1275103945 /nfs/dbraw/zinc/10/39/45/1275103945.db2.gz AGFWRPRXQQKTOF-UHFFFAOYSA-N -1 0 339.376 2.574 20 30 EFEDRM CCS[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C(C)C ZINC000785828551 1275200004 /nfs/dbraw/zinc/20/00/04/1275200004.db2.gz SNLZMDSWVLFLJL-AAEUAGOBSA-N -1 0 340.470 2.949 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC(C)(C)C#N ZINC000786324712 1275370445 /nfs/dbraw/zinc/37/04/45/1275370445.db2.gz GCBZQTFLBSMRLG-GFCCVEGCSA-N -1 0 343.383 2.640 20 30 EFEDRM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N ZINC000786472226 1275404177 /nfs/dbraw/zinc/40/41/77/1275404177.db2.gz PXESVTOOLSWMSC-UHFFFAOYSA-N -1 0 348.346 2.759 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786537935 1275423312 /nfs/dbraw/zinc/42/33/12/1275423312.db2.gz CJSGOZVNBVWVOM-AWEZNQCLSA-N -1 0 341.436 2.961 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)nc1 ZINC000786537454 1275423790 /nfs/dbraw/zinc/42/37/90/1275423790.db2.gz RSDMIMPMJREKOT-AWEZNQCLSA-N -1 0 327.771 2.682 20 30 EFEDRM CCc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786538625 1275424340 /nfs/dbraw/zinc/42/43/40/1275424340.db2.gz GOAYGEVVFHDHJT-ZDUSSCGKSA-N -1 0 327.409 2.653 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)cc(C)c1F ZINC000786499222 1275426952 /nfs/dbraw/zinc/42/69/52/1275426952.db2.gz BDQXUCLQVLRLDX-UHFFFAOYSA-N -1 0 346.383 2.627 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786544754 1275438173 /nfs/dbraw/zinc/43/81/73/1275438173.db2.gz YJCXPDXHAKLTQR-AWEZNQCLSA-N -1 0 340.404 2.898 20 30 EFEDRM Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558481 1275442836 /nfs/dbraw/zinc/44/28/36/1275442836.db2.gz DCBBFBMFOFIKMV-LBPRGKRZSA-N -1 0 334.347 2.974 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cc(C#N)cs1 ZINC000786561950 1275443833 /nfs/dbraw/zinc/44/38/33/1275443833.db2.gz HMEZIIOLXCRBLY-GFCCVEGCSA-N -1 0 345.330 2.537 20 30 EFEDRM Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)o1 ZINC000786563155 1275443838 /nfs/dbraw/zinc/44/38/38/1275443838.db2.gz HFVBUYGDCZWTDP-LBPRGKRZSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)s1 ZINC000786562484 1275444254 /nfs/dbraw/zinc/44/42/54/1275444254.db2.gz XWSMKCMQWZBDAY-GFCCVEGCSA-N -1 0 349.362 2.677 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(C)n1C ZINC000786563394 1275445110 /nfs/dbraw/zinc/44/51/10/1275445110.db2.gz UTTJESXDEYIKJD-HNNXBMFYSA-N -1 0 345.349 2.559 20 30 EFEDRM Cc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)s1 ZINC000786567496 1275445718 /nfs/dbraw/zinc/44/57/18/1275445718.db2.gz CAWDEEAOPSPUNS-LLVKDONJSA-N -1 0 349.362 2.677 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccc(Cl)o1 ZINC000786571443 1275447172 /nfs/dbraw/zinc/44/71/72/1275447172.db2.gz XLXUGOUOCPGGHW-VIFPVBQESA-N -1 0 338.697 2.850 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000786572038 1275447728 /nfs/dbraw/zinc/44/77/28/1275447728.db2.gz VAHRZWGJHHKTSE-AWEZNQCLSA-N -1 0 328.318 2.912 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccccc1CC ZINC000786653568 1275461599 /nfs/dbraw/zinc/46/15/99/1275461599.db2.gz FMMKUEJNGOMLOG-UHFFFAOYSA-N -1 0 339.457 2.817 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnccc2C)n1 ZINC000786923682 1275580328 /nfs/dbraw/zinc/58/03/28/1275580328.db2.gz QJNQZVWHVUEFLM-VQTKUKTRSA-N -1 0 341.392 2.588 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1)c1ccccc1 ZINC000787031992 1275620830 /nfs/dbraw/zinc/62/08/30/1275620830.db2.gz OAHFQMNARKSVPO-CHWSQXEVSA-N -1 0 346.337 2.868 20 30 EFEDRM CC(=Nn1c(=S)[n-]nc1C(F)(F)F)c1cnn(C(C)C)c1C ZINC000787149402 1275685555 /nfs/dbraw/zinc/68/55/55/1275685555.db2.gz CROFLIHJLZVQOP-UHFFFAOYSA-N -1 0 332.355 2.944 20 30 EFEDRM COc1cc(/C=C\C(=O)c2cncs2)ccc1OCCC(=O)[O-] ZINC000787170984 1275704577 /nfs/dbraw/zinc/70/45/77/1275704577.db2.gz FNCTYILFUHHQDP-RQOWECAXSA-N -1 0 333.365 2.901 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000746677468 1275751390 /nfs/dbraw/zinc/75/13/90/1275751390.db2.gz XSQJPVMQFXUQHF-LLVKDONJSA-N -1 0 329.312 2.893 20 30 EFEDRM C[C@@H](Oc1cccc(C=NNCc2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC000746679512 1275766246 /nfs/dbraw/zinc/76/62/46/1275766246.db2.gz IXBBGBDFBHPSPQ-LLVKDONJSA-N -1 0 334.322 2.940 20 30 EFEDRM C[C@H](Oc1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1)C(=O)[O-] ZINC000746678642 1275767266 /nfs/dbraw/zinc/76/72/66/1275767266.db2.gz GDLQPCZUIWDZLN-NSHDSACASA-N -1 0 329.312 2.893 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000746678938 1275767336 /nfs/dbraw/zinc/76/73/36/1275767336.db2.gz JYKNXUZWSAGPOD-LLVKDONJSA-N -1 0 348.428 2.644 20 30 EFEDRM COc1ccc(CNN=Cc2cccc(OCCC(=O)[O-])c2)cc1 ZINC000746680521 1275779930 /nfs/dbraw/zinc/77/99/30/1275779930.db2.gz XCENFEIEBVMMNM-UHFFFAOYSA-N -1 0 328.368 2.672 20 30 EFEDRM CCCCCNC(=S)NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746681618 1275781493 /nfs/dbraw/zinc/78/14/93/1275781493.db2.gz FYQBNMUPAXNENC-UHFFFAOYSA-N -1 0 337.445 2.528 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Cc2cccc(N3CCCC3=O)c2)c1 ZINC000787475547 1275792315 /nfs/dbraw/zinc/79/23/15/1275792315.db2.gz SZGNHCSFWFHGTR-UHFFFAOYSA-N -1 0 335.363 2.572 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1OC ZINC000746692810 1275816288 /nfs/dbraw/zinc/81/62/88/1275816288.db2.gz AYOSVUTZMSCPEM-GDAGCXPBSA-N -1 0 347.411 2.985 20 30 EFEDRM CCc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(O)c1 ZINC000787868060 1275968631 /nfs/dbraw/zinc/96/86/31/1275968631.db2.gz WYPKJJDRPNDZNY-CYBMUJFWSA-N -1 0 344.392 2.753 20 30 EFEDRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000788133364 1276049512 /nfs/dbraw/zinc/04/95/12/1276049512.db2.gz XJUSDUHYFVOOKK-UHFFFAOYSA-N -1 0 343.311 2.565 20 30 EFEDRM CCCN1C[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000817708120 1276269328 /nfs/dbraw/zinc/26/93/28/1276269328.db2.gz UCTWNQHRMNMUOD-JVDJPWEPSA-N -1 0 339.779 2.631 20 30 EFEDRM Cc1ccc2nc(C=Nn3c(=O)c4ccccc4[n-]c3=S)cn2c1 ZINC000788974495 1276417688 /nfs/dbraw/zinc/41/76/88/1276417688.db2.gz DLGWZPAPAJJYMK-UHFFFAOYSA-N -1 0 335.392 2.524 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cnc(-c3ccco3)s2)C(=O)O1 ZINC000789126155 1276520947 /nfs/dbraw/zinc/52/09/47/1276520947.db2.gz CRSSDOCWXSZCST-ISZGNANSSA-N -1 0 329.333 2.631 20 30 EFEDRM C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000923082377 1276750862 /nfs/dbraw/zinc/75/08/62/1276750862.db2.gz QQPUZZQXHLMHJB-ZDUSSCGKSA-N -1 0 330.384 2.801 20 30 EFEDRM N#C[C@@]1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC12CCCC2 ZINC000923087472 1276781750 /nfs/dbraw/zinc/78/17/50/1276781750.db2.gz YCUQFSOQSPHSPK-VQTJNVASSA-N -1 0 338.407 2.715 20 30 EFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000820026263 1277001029 /nfs/dbraw/zinc/00/10/29/1277001029.db2.gz KRKHAWXZLNZQNM-UHFFFAOYSA-N -1 0 326.805 2.619 20 30 EFEDRM CC(=Cc1cccc(Br)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000789829064 1277019030 /nfs/dbraw/zinc/01/90/30/1277019030.db2.gz GKOJBRFNWCQQPN-VURMDHGXSA-N -1 0 331.173 2.668 20 30 EFEDRM CC1(C)COc2cnc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cc21 ZINC001174956255 1287266134 /nfs/dbraw/zinc/26/61/34/1287266134.db2.gz QGJZALRRBULEMV-UHFFFAOYSA-N -1 0 327.315 2.720 20 30 EFEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1 ZINC000790052416 1277219940 /nfs/dbraw/zinc/21/99/40/1277219940.db2.gz FWJOEOGNMHRMGP-UHFFFAOYSA-N -1 0 338.820 2.813 20 30 EFEDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000820627870 1277254224 /nfs/dbraw/zinc/25/42/24/1277254224.db2.gz USLKPMDUASXSGJ-UONOGXRCSA-N -1 0 326.462 2.733 20 30 EFEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cnnn1-c1ccccc1 ZINC000821008932 1277416474 /nfs/dbraw/zinc/41/64/74/1277416474.db2.gz UVCWPBFYMWOYIQ-VQHVLOKHSA-N -1 0 336.307 2.777 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(Br)oc2C)CC1 ZINC000821133446 1277451534 /nfs/dbraw/zinc/45/15/34/1277451534.db2.gz KFYDQUKVUITHAM-UHFFFAOYSA-N -1 0 348.218 2.519 20 30 EFEDRM C#Cc1nc(Br)cnc1Nc1cc(C(=O)[O-])ccc1C ZINC001174981448 1287287479 /nfs/dbraw/zinc/28/74/79/1287287479.db2.gz LAWAVSOGZRHPJX-UHFFFAOYSA-N -1 0 332.157 2.971 20 30 EFEDRM C=CCN(Cc1cccs1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000790666955 1277707617 /nfs/dbraw/zinc/70/76/17/1277707617.db2.gz VTKXZCPEMANOSB-UHFFFAOYSA-N -1 0 334.363 2.720 20 30 EFEDRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790868605 1277814661 /nfs/dbraw/zinc/81/46/61/1277814661.db2.gz JFNGCABPGVSBEY-SECBINFHSA-N -1 0 348.346 2.818 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000871825893 1287310952 /nfs/dbraw/zinc/31/09/52/1287310952.db2.gz BZJFKEYVFZCEOL-UHFFFAOYSA-N -1 0 347.820 2.632 20 30 EFEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1c(F)cc([O-])cc1F ZINC000746986855 1277982398 /nfs/dbraw/zinc/98/23/98/1277982398.db2.gz POYWSNDNZSNWJD-SNVBAGLBSA-N -1 0 327.327 2.640 20 30 EFEDRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000792702465 1279127421 /nfs/dbraw/zinc/12/74/21/1279127421.db2.gz UKQRXCWLKRUMDX-UHFFFAOYSA-N -1 0 338.385 2.926 20 30 EFEDRM Cc1c(NN=Cc2cnc(C3OCCO3)s2)cccc1C(=O)[O-] ZINC000844623129 1279128730 /nfs/dbraw/zinc/12/87/30/1279128730.db2.gz KYVSJSSYHZCJHT-UHFFFAOYSA-N -1 0 333.369 2.641 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)[C@H](CCC)C(=O)OCC)c1 ZINC000844650350 1279137269 /nfs/dbraw/zinc/13/72/69/1279137269.db2.gz WQVKDOHTOQPUNF-OAHLLOKOSA-N -1 0 341.429 2.725 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000871869756 1287331733 /nfs/dbraw/zinc/33/17/33/1287331733.db2.gz ASCKUAPQYZKZMS-UHFFFAOYSA-N -1 0 347.795 2.764 20 30 EFEDRM C=C(C)CONC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000844697106 1279207875 /nfs/dbraw/zinc/20/78/75/1279207875.db2.gz IFOBWPQLXOMFSC-UHFFFAOYSA-N -1 0 345.321 2.803 20 30 EFEDRM C=C[C@@H](C)ONC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000844698442 1279208125 /nfs/dbraw/zinc/20/81/25/1279208125.db2.gz OWZZPCXAGXOHMH-SNVBAGLBSA-N -1 0 345.321 2.801 20 30 EFEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000792926149 1279280453 /nfs/dbraw/zinc/28/04/53/1279280453.db2.gz VQNCWVKANCEWMN-YCRREMRBSA-N -1 0 339.347 2.688 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC000793054044 1279345326 /nfs/dbraw/zinc/34/53/26/1279345326.db2.gz BMMUYDHFGQGEJS-CYBMUJFWSA-N -1 0 338.770 2.760 20 30 EFEDRM CC[C@H](NN=C1CCCN(C(=O)OC(C)(C)C)CCC1)C(=O)[O-] ZINC000793071289 1279356232 /nfs/dbraw/zinc/35/62/32/1279356232.db2.gz HIWGWRHLYCXYKM-ZDUSSCGKSA-N -1 0 327.425 2.606 20 30 EFEDRM CC[C@H](NN=C1CCCc2c(Br)cccc21)C(=O)[O-] ZINC000793072780 1279357333 /nfs/dbraw/zinc/35/73/33/1279357333.db2.gz PFBQRIGWVCLYNA-LBPRGKRZSA-N -1 0 325.206 2.942 20 30 EFEDRM CC[C@@H](NN=Cc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000793073387 1279357639 /nfs/dbraw/zinc/35/76/39/1279357639.db2.gz UPDVCMGGNBAEME-GFCCVEGCSA-N -1 0 336.189 2.784 20 30 EFEDRM CC[C@H](NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000793077317 1279359282 /nfs/dbraw/zinc/35/92/82/1279359282.db2.gz DCPWZQDHUQRJJG-KGLIPLIRSA-N -1 0 340.807 2.685 20 30 EFEDRM CC[C@H](NN=C1CCCOc2c(Br)cccc21)C(=O)[O-] ZINC000793081941 1279361919 /nfs/dbraw/zinc/36/19/19/1279361919.db2.gz QAUFZASUNAJJNA-NSHDSACASA-N -1 0 341.205 2.779 20 30 EFEDRM CC[C@H](NN=Cc1csc(N(C(C)=O)c2ccccc2)n1)C(=O)[O-] ZINC000793057076 1279365964 /nfs/dbraw/zinc/36/59/64/1279365964.db2.gz ZVZKGJYRHBYBSS-AWEZNQCLSA-N -1 0 346.412 2.614 20 30 EFEDRM CC[C@@H](NN=Cc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000793057488 1279366255 /nfs/dbraw/zinc/36/62/55/1279366255.db2.gz NNFPGLNNTZZQJB-CQSZACIVSA-N -1 0 333.413 2.817 20 30 EFEDRM CC[C@H](NN=Cc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000793057486 1279366507 /nfs/dbraw/zinc/36/65/07/1279366507.db2.gz NNFPGLNNTZZQJB-AWEZNQCLSA-N -1 0 333.413 2.817 20 30 EFEDRM CC[C@@H](NN=C(C)c1ccc(OC)c(Br)c1)C(=O)[O-] ZINC000793057194 1279366567 /nfs/dbraw/zinc/36/65/67/1279366567.db2.gz MIVBIMGSZOIAIN-LLVKDONJSA-N -1 0 329.194 2.635 20 30 EFEDRM CC[C@H](NN=Cc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000793057852 1279367440 /nfs/dbraw/zinc/36/74/40/1279367440.db2.gz QBHCWTSUEURJGP-SFHVURJKSA-N -1 0 337.379 2.924 20 30 EFEDRM COc1ccc(CN=Nc2cccc(Cl)n2)c(OCC(=O)[O-])c1 ZINC000793174885 1279419868 /nfs/dbraw/zinc/41/98/68/1279419868.db2.gz NQKBTAMRMFGKJR-UHFFFAOYSA-N -1 0 335.747 2.653 20 30 EFEDRM CC(C)Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793193687 1279437177 /nfs/dbraw/zinc/43/71/77/1279437177.db2.gz BISNPVVWJXNTAT-AWEZNQCLSA-N -1 0 348.468 2.738 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000793195079 1279439793 /nfs/dbraw/zinc/43/97/93/1279439793.db2.gz FZOZTNZFTHJYKU-UHFFFAOYSA-N -1 0 340.404 2.717 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000793206285 1279466119 /nfs/dbraw/zinc/46/61/19/1279466119.db2.gz YPIWGMQEMBMAKG-UHFFFAOYSA-N -1 0 346.452 2.710 20 30 EFEDRM CC(C)(C)c1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1 ZINC000793205651 1279466516 /nfs/dbraw/zinc/46/65/16/1279466516.db2.gz YRNUSFNYCXGFJK-UHFFFAOYSA-N -1 0 348.468 2.666 20 30 EFEDRM CC(C)(CCCc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793205372 1279466802 /nfs/dbraw/zinc/46/68/02/1279466802.db2.gz MVBIVWJYBXFWOA-UHFFFAOYSA-N -1 0 348.468 2.785 20 30 EFEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccn1)c1ccccc1 ZINC000793317075 1279540544 /nfs/dbraw/zinc/54/05/44/1279540544.db2.gz MJJJGUDESVQYQH-KRWDZBQOSA-N -1 0 344.436 2.778 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000793372505 1279584168 /nfs/dbraw/zinc/58/41/68/1279584168.db2.gz CJNRCCTYBGVMLM-ZDUSSCGKSA-N -1 0 341.329 2.621 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)cn1 ZINC000845444507 1279636066 /nfs/dbraw/zinc/63/60/66/1279636066.db2.gz WYNJFMYBNIXEHD-MRXNPFEDSA-N -1 0 338.411 2.891 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793417019 1279661152 /nfs/dbraw/zinc/66/11/52/1279661152.db2.gz VGBKIBPJHJIESA-LLVKDONJSA-N -1 0 345.355 2.789 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc[nH]c2C(C)C)cc1 ZINC000845451929 1279667706 /nfs/dbraw/zinc/66/77/06/1279667706.db2.gz QJOOIOQQHRHIJX-INIZCTEOSA-N -1 0 339.395 2.786 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000845512919 1279695889 /nfs/dbraw/zinc/69/58/89/1279695889.db2.gz FNZZYKIKDNNKJI-HDJSIYSDSA-N -1 0 326.462 2.733 20 30 EFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871954973 1287374999 /nfs/dbraw/zinc/37/49/99/1287374999.db2.gz GWSZBZBOBMPFTH-SECBINFHSA-N -1 0 347.820 2.680 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1OCC ZINC000846149087 1280037047 /nfs/dbraw/zinc/03/70/47/1280037047.db2.gz HAVVKTSPUBEZLJ-UHFFFAOYSA-N -1 0 346.305 2.667 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000846149422 1280037656 /nfs/dbraw/zinc/03/76/56/1280037656.db2.gz MZKPXNANJZAMCT-UHFFFAOYSA-N -1 0 337.807 2.503 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000846151066 1280038151 /nfs/dbraw/zinc/03/81/51/1280038151.db2.gz UMNULVYJGCBFFP-UHFFFAOYSA-N -1 0 338.454 2.728 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000846152934 1280038189 /nfs/dbraw/zinc/03/81/89/1280038189.db2.gz CWRGXOTZOYYZBE-JTQLQIEISA-N -1 0 326.780 2.690 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000846154190 1280039274 /nfs/dbraw/zinc/03/92/74/1280039274.db2.gz PFWFUQOWHLRCTK-JTQLQIEISA-N -1 0 341.205 2.627 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000846153997 1280039438 /nfs/dbraw/zinc/03/94/38/1280039438.db2.gz LGJUZSNUNSEWDF-CQSZACIVSA-N -1 0 334.416 2.981 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000846154779 1280039627 /nfs/dbraw/zinc/03/96/27/1280039627.db2.gz SZPASYHHFYTMAR-CYBMUJFWSA-N -1 0 342.399 2.557 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000846155150 1280041256 /nfs/dbraw/zinc/04/12/56/1280041256.db2.gz VFCPSBGREDGZSQ-CYBMUJFWSA-N -1 0 336.436 2.613 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000846146720 1280052827 /nfs/dbraw/zinc/05/28/27/1280052827.db2.gz KIWQPZLAXVFLNO-UHFFFAOYSA-N -1 0 342.399 2.558 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N(CCC)CCC)cc1 ZINC000846146503 1280053273 /nfs/dbraw/zinc/05/32/73/1280053273.db2.gz JBVRJCREXBKIRT-UHFFFAOYSA-N -1 0 333.432 2.875 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000846147872 1280053337 /nfs/dbraw/zinc/05/33/37/1280053337.db2.gz WIKBGASYQAUSPS-JTQLQIEISA-N -1 0 346.305 2.579 20 30 EFEDRM CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F)C1CCCC1 ZINC000872007246 1287394886 /nfs/dbraw/zinc/39/48/86/1287394886.db2.gz MIHXTGLNDRRPSK-HNNXBMFYSA-N -1 0 344.383 2.783 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2C#N)ccc1OC(C)C ZINC000872010316 1287397410 /nfs/dbraw/zinc/39/74/10/1287397410.db2.gz MUNBYPLGOKXHCK-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000846537616 1280252127 /nfs/dbraw/zinc/25/21/27/1280252127.db2.gz IDQJHFYKISSMHM-SECBINFHSA-N -1 0 332.169 2.979 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000846541720 1280234860 /nfs/dbraw/zinc/23/48/60/1280234860.db2.gz LNGWSWZMOGHJEF-ZDUSSCGKSA-N -1 0 346.456 2.988 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000846545600 1280240030 /nfs/dbraw/zinc/24/00/30/1280240030.db2.gz HZGZAPSBEXSENI-SNVBAGLBSA-N -1 0 330.306 2.576 20 30 EFEDRM C=C(C)CO[N-]C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000846536828 1280251839 /nfs/dbraw/zinc/25/18/39/1280251839.db2.gz BQXVONWMFAERNS-UHFFFAOYSA-N -1 0 330.306 2.578 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000846537401 1280251956 /nfs/dbraw/zinc/25/19/56/1280251956.db2.gz IUXSABCLOGOJTD-CYBMUJFWSA-N -1 0 335.795 2.569 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000846536726 1280252406 /nfs/dbraw/zinc/25/24/06/1280252406.db2.gz YAKSKWXRZQWLLQ-ABAIWWIYSA-N -1 0 340.782 2.622 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846539805 1280254978 /nfs/dbraw/zinc/25/49/78/1280254978.db2.gz OAVBACICALJRKK-NSHDSACASA-N -1 0 343.210 2.970 20 30 EFEDRM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(Cl)c([O-])cc1F ZINC000805259786 1280498707 /nfs/dbraw/zinc/49/87/07/1280498707.db2.gz LFVAOQJTFQYBBV-UHFFFAOYSA-N -1 0 333.702 2.904 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000806558545 1281094911 /nfs/dbraw/zinc/09/49/11/1281094911.db2.gz GAGXQVRQACKETF-VURMDHGXSA-N -1 0 340.379 2.759 20 30 EFEDRM CC(C)(C#N)c1ccc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001147878808 1281339642 /nfs/dbraw/zinc/33/96/42/1281339642.db2.gz UDANFEUWOSYPED-UHFFFAOYSA-N -1 0 347.378 2.614 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000807847584 1281437671 /nfs/dbraw/zinc/43/76/71/1281437671.db2.gz YYSNRKXFQWQKGX-UHFFFAOYSA-N -1 0 330.413 2.684 20 30 EFEDRM FC(F)(F)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)[nH]1 ZINC000807949968 1281477178 /nfs/dbraw/zinc/47/71/78/1281477178.db2.gz NZIQLENOACUUHQ-UHFFFAOYSA-N -1 0 329.229 2.815 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1Cl ZINC000808127493 1281526483 /nfs/dbraw/zinc/52/64/83/1281526483.db2.gz HMMVKYUJOFKZRJ-UHFFFAOYSA-N -1 0 348.767 2.683 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)o1 ZINC000808102591 1281536575 /nfs/dbraw/zinc/53/65/75/1281536575.db2.gz HRXAUUFQAWLEFY-GFCCVEGCSA-N -1 0 346.286 2.548 20 30 EFEDRM C#C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000805305178 1281574864 /nfs/dbraw/zinc/57/48/64/1281574864.db2.gz DQYWEEHSZSHSIX-OLZOCXBDSA-N -1 0 343.210 2.679 20 30 EFEDRM C=C[C@H]1C[C@]1(NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)OCC ZINC001148814810 1281773185 /nfs/dbraw/zinc/77/31/85/1281773185.db2.gz XXBBWYDIKZDHCG-VXJOIVPMSA-N -1 0 344.194 2.937 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1 ZINC000808979453 1281979689 /nfs/dbraw/zinc/97/96/89/1281979689.db2.gz ZQHASSLLOKDCRH-CYBMUJFWSA-N -1 0 330.409 2.685 20 30 EFEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ocnc1C1CC1 ZINC000808979295 1281980163 /nfs/dbraw/zinc/98/01/63/1281980163.db2.gz GZOVKFCZNFAEEH-GFCCVEGCSA-N -1 0 339.351 2.912 20 30 EFEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000808979334 1281981040 /nfs/dbraw/zinc/98/10/40/1281981040.db2.gz IBTZPDVRDIKPQV-CQSZACIVSA-N -1 0 328.416 2.545 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(F)F)CCCC2)CCCCC1 ZINC000809000415 1281998566 /nfs/dbraw/zinc/99/85/66/1281998566.db2.gz YTKLRBXLGTUCCZ-UHFFFAOYSA-N -1 0 348.415 2.732 20 30 EFEDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000809067790 1282013671 /nfs/dbraw/zinc/01/36/71/1282013671.db2.gz UDRMQBAGOHFZEM-UHFFFAOYSA-N -1 0 348.811 2.780 20 30 EFEDRM O=S(=O)([N-]c1ccccn1)c1ccc(N=NC2CCC[C@H]2F)nc1 ZINC000872342352 1287545458 /nfs/dbraw/zinc/54/54/58/1287545458.db2.gz MQRNNWQPSZEUSX-GFCCVEGCSA-N -1 0 349.391 2.567 20 30 EFEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(O)c(C(=O)[O-])c1)C2 ZINC000809157613 1282069364 /nfs/dbraw/zinc/06/93/64/1282069364.db2.gz RAPCXDQVPLEEIS-LFYBBSHMSA-N -1 0 340.331 2.930 20 30 EFEDRM COC(=O)c1csc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000809158306 1282069719 /nfs/dbraw/zinc/06/97/19/1282069719.db2.gz XCQNFABPNGWBOD-HWKANZROSA-N -1 0 332.333 2.835 20 30 EFEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1cccc(OC)c1OC ZINC000872345471 1287547007 /nfs/dbraw/zinc/54/70/07/1287547007.db2.gz YGXWJCLOFDRMAJ-UHFFFAOYSA-N -1 0 326.360 2.596 20 30 EFEDRM COC(=O)c1sc(SC)c(C#N)c1Nc1cncc(C(=O)[O-])c1 ZINC001175837424 1287558586 /nfs/dbraw/zinc/55/85/86/1287558586.db2.gz KEKMOROJPXDUFV-UHFFFAOYSA-N -1 0 349.393 2.965 20 30 EFEDRM C[C@H](Oc1cccc(C=NNC[C@@H]2CCCC2(F)F)c1)C(=O)[O-] ZINC000872407839 1287567068 /nfs/dbraw/zinc/56/70/68/1287567068.db2.gz FDGUCXIMQLFDHQ-AAEUAGOBSA-N -1 0 326.343 2.897 20 30 EFEDRM CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O ZINC000748003334 1287568057 /nfs/dbraw/zinc/56/80/57/1287568057.db2.gz MBQYGZWNSQBANS-HNNXBMFYSA-N -1 0 349.390 2.818 20 30 EFEDRM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000809846916 1282504424 /nfs/dbraw/zinc/50/44/24/1282504424.db2.gz MMIUENPSPYSHGR-LBPRGKRZSA-N -1 0 348.783 2.714 20 30 EFEDRM C[C@H]1CC(N=Nc2cc(Br)ncn2)CC[C@H]1C(=O)[O-] ZINC000872436870 1287582000 /nfs/dbraw/zinc/58/20/00/1287582000.db2.gz SMNHXAAULPBZPA-IONNQARKSA-N -1 0 327.182 2.528 20 30 EFEDRM C[C@H]1Sc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2NC1=O ZINC000748003272 1287582664 /nfs/dbraw/zinc/58/26/64/1287582664.db2.gz DZLGGDVRZUOAKZ-SECBINFHSA-N -1 0 339.376 2.949 20 30 EFEDRM Cc1ccc(-c2n[nH]cc2C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000810197756 1283031159 /nfs/dbraw/zinc/03/11/59/1283031159.db2.gz UTBDZHYTQITXBH-IWAYRVGRSA-N -1 0 336.347 2.613 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810636283 1283445337 /nfs/dbraw/zinc/44/53/37/1283445337.db2.gz PCHQLRMWLWQYII-OAHLLOKOSA-N -1 0 335.363 2.535 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810636227 1283446473 /nfs/dbraw/zinc/44/64/73/1283446473.db2.gz NNPACTSNHUQBCW-CYBMUJFWSA-N -1 0 329.787 2.988 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2(F)CCCCC2)CCCCC1 ZINC000810674420 1283485905 /nfs/dbraw/zinc/48/59/05/1283485905.db2.gz DSCACWUGCFOVFW-UHFFFAOYSA-N -1 0 330.425 2.579 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1)c1ccccc1 ZINC000810709431 1283545735 /nfs/dbraw/zinc/54/57/35/1283545735.db2.gz APUTYSYLCBGLES-CVEARBPZSA-N -1 0 332.363 2.543 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)ccn1C ZINC000810707839 1283546099 /nfs/dbraw/zinc/54/60/99/1283546099.db2.gz BQESDHYFLJLXPO-AWEZNQCLSA-N -1 0 345.349 2.505 20 30 EFEDRM CCc1c(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)ccn1C ZINC000810708880 1283547895 /nfs/dbraw/zinc/54/78/95/1283547895.db2.gz JRLCGEZTMDLNRH-HNNXBMFYSA-N -1 0 343.814 2.880 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000810781811 1283586198 /nfs/dbraw/zinc/58/61/98/1283586198.db2.gz VFLRQYSDXZECGK-PKNBQFBNSA-N -1 0 345.342 2.578 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000810781810 1283587101 /nfs/dbraw/zinc/58/71/01/1283587101.db2.gz VFLRQYSDXZECGK-LUAWRHEFSA-N -1 0 345.342 2.578 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000810786549 1283587540 /nfs/dbraw/zinc/58/75/40/1283587540.db2.gz NMCDBNKUYJZHPY-UHFFFAOYSA-N -1 0 341.388 2.598 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000810785092 1283587591 /nfs/dbraw/zinc/58/75/91/1283587591.db2.gz WSSPHSUMQLTAKO-QWHCGFSZSA-N -1 0 346.235 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000810784725 1283587641 /nfs/dbraw/zinc/58/76/41/1283587641.db2.gz NCPJSQXYIDWXKR-VIFPVBQESA-N -1 0 334.224 2.566 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC000810783863 1283587810 /nfs/dbraw/zinc/58/78/10/1283587810.db2.gz IAZVFMIPDHPOFZ-AWEZNQCLSA-N -1 0 327.833 2.549 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000810784988 1283587972 /nfs/dbraw/zinc/58/79/72/1283587972.db2.gz UEDPHDLVSUUNRD-VXGBXAGGSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000810777676 1283633033 /nfs/dbraw/zinc/63/30/33/1283633033.db2.gz LXBPESDBEJFABJ-UHFFFAOYSA-N -1 0 339.482 2.710 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC000810777179 1283633428 /nfs/dbraw/zinc/63/34/28/1283633428.db2.gz WFHNBJPXLCNWNP-UHFFFAOYSA-N -1 0 335.469 2.677 20 30 EFEDRM COc1cc(C)nc([N-]N=C2c3ccccc3N(CC(C)C)C2=O)n1 ZINC000747635752 1283683752 /nfs/dbraw/zinc/68/37/52/1283683752.db2.gz NSZYDQKVAWUREB-UHFFFAOYSA-N -1 0 339.399 2.612 20 30 EFEDRM COc1cc(C)nc([N-]N=C2C(=O)Nc3c2c(Cl)ccc3C)n1 ZINC000747634379 1283690487 /nfs/dbraw/zinc/69/04/87/1283690487.db2.gz FGFMJOZKXIMPMI-UHFFFAOYSA-N -1 0 331.763 2.524 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cn(CC)c3ccccc23)CC1 ZINC000810982078 1283907568 /nfs/dbraw/zinc/90/75/68/1283907568.db2.gz LDTZULOVLSEEGV-UHFFFAOYSA-N -1 0 346.452 2.758 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)c2ccc(OC)cc2)CC1 ZINC000810985034 1283914095 /nfs/dbraw/zinc/91/40/95/1283914095.db2.gz VIQZBLXBIBTOBL-OAHLLOKOSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000810985472 1283914199 /nfs/dbraw/zinc/91/41/99/1283914199.db2.gz MTWGJKUDFCMTEJ-KGLIPLIRSA-N -1 0 339.844 2.998 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)O[C@H]2CCC[C@@H](C)C2)CC1 ZINC000810987903 1283915390 /nfs/dbraw/zinc/91/53/90/1283915390.db2.gz DPNJDXNNVCPKEK-ILXRZTDVSA-N -1 0 343.489 2.915 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc3c2OCC3(C)C)CC1 ZINC000810987565 1283915486 /nfs/dbraw/zinc/91/54/86/1283915486.db2.gz QAHGQKPEGNUQPJ-UHFFFAOYSA-N -1 0 335.425 2.525 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000810986808 1283915628 /nfs/dbraw/zinc/91/56/28/1283915628.db2.gz NVXCYCZANCVDRW-CYBMUJFWSA-N -1 0 337.441 2.744 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)Oc2ccccc2C)CC1 ZINC000810988394 1283915881 /nfs/dbraw/zinc/91/58/81/1283915881.db2.gz PAYMJFAHVBMFEE-CQSZACIVSA-N -1 0 337.441 2.707 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000810988048 1283916422 /nfs/dbraw/zinc/91/64/22/1283916422.db2.gz IDDZJWXCOQEWAU-YPMHNXCESA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000810988045 1283916622 /nfs/dbraw/zinc/91/66/22/1283916622.db2.gz IDDZJWXCOQEWAU-DGCLKSJQSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CSc2ccccc2Cl)CC1 ZINC000810988074 1283917151 /nfs/dbraw/zinc/91/71/51/1283917151.db2.gz BKEQLMHIUFHYLS-UHFFFAOYSA-N -1 0 345.873 2.987 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000811147930 1284066663 /nfs/dbraw/zinc/06/66/63/1284066663.db2.gz LMUNJTGIZQYMJU-UHFFFAOYSA-N -1 0 331.821 2.648 20 30 EFEDRM C#CCCCCCC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000811177511 1284084716 /nfs/dbraw/zinc/08/47/16/1284084716.db2.gz DXIQSMNIGRYIJP-UHFFFAOYSA-N -1 0 344.363 2.580 20 30 EFEDRM C[C@@H](Oc1ccc(C=NN[C@@H](C)COc2ccccc2)cc1)C(=O)[O-] ZINC000811666472 1284495042 /nfs/dbraw/zinc/49/50/42/1284495042.db2.gz DWUMVKMZWSHSRO-LSDHHAIUSA-N -1 0 342.395 2.930 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)ccc1C(F)(F)F ZINC000811683284 1284511851 /nfs/dbraw/zinc/51/18/51/1284511851.db2.gz BVCCJAOSNCLDCJ-UHFFFAOYSA-N -1 0 344.318 2.535 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(O)cc(C(F)(F)F)c2)C(=O)O1 ZINC000811684668 1284512243 /nfs/dbraw/zinc/51/22/43/1284512243.db2.gz AKEFIPFZMCWTMP-HSWBROFVSA-N -1 0 340.253 2.639 20 30 EFEDRM COCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1 ZINC000811830575 1284661396 /nfs/dbraw/zinc/66/13/96/1284661396.db2.gz UWANUEAYFAVAEP-UHFFFAOYSA-N -1 0 337.788 2.554 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cnc1Cl ZINC000811833578 1284661606 /nfs/dbraw/zinc/66/16/06/1284661606.db2.gz JFACKLPMILJXQO-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000811830431 1284661764 /nfs/dbraw/zinc/66/17/64/1284661764.db2.gz OOALFBIABKGZEP-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000811831158 1284662562 /nfs/dbraw/zinc/66/25/62/1284662562.db2.gz YCUOSGNFDUIOBC-UHFFFAOYSA-N -1 0 347.783 2.782 20 30 EFEDRM COCc1ccccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000811830996 1284662650 /nfs/dbraw/zinc/66/26/50/1284662650.db2.gz OPERRVPVTJVZNC-UHFFFAOYSA-N -1 0 337.788 2.554 20 30 EFEDRM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000811824252 1284687659 /nfs/dbraw/zinc/68/76/59/1284687659.db2.gz OMEYZHJBVXOYOO-UHFFFAOYSA-N -1 0 344.440 2.990 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=CC1=Cc2ccccc2OC1 ZINC000812390800 1285114365 /nfs/dbraw/zinc/11/43/65/1285114365.db2.gz AABRWKGGWVZVTG-UHFFFAOYSA-N -1 0 326.303 2.896 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cocn1 ZINC000105757138 1285135697 /nfs/dbraw/zinc/13/56/97/1285135697.db2.gz TXLIYHIIEAISSV-SECBINFHSA-N -1 0 333.731 2.606 20 30 EFEDRM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ncoc1C ZINC000105757133 1285136213 /nfs/dbraw/zinc/13/62/13/1285136213.db2.gz GWRBVZFSHBURLE-SNVBAGLBSA-N -1 0 347.758 2.915 20 30 EFEDRM CC(C)(C)c1n[nH]cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000812454778 1285152007 /nfs/dbraw/zinc/15/20/07/1285152007.db2.gz QJLXNHLXDOUSTP-UHFFFAOYSA-N -1 0 327.413 2.588 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ncccn1 ZINC000813057206 1285620619 /nfs/dbraw/zinc/62/06/19/1285620619.db2.gz HKDBASZBQOXSJK-CQSZACIVSA-N -1 0 332.363 2.791 20 30 EFEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C ZINC000813990794 1286218013 /nfs/dbraw/zinc/21/80/13/1286218013.db2.gz SSRLHNSTHFQUQY-UHFFFAOYSA-N -1 0 329.466 2.674 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1)OCC ZINC000814016997 1286238591 /nfs/dbraw/zinc/23/85/91/1286238591.db2.gz RIJHNEVOKHZTQG-JKSUJKDBSA-N -1 0 339.457 2.955 20 30 EFEDRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C ZINC000814020711 1286241730 /nfs/dbraw/zinc/24/17/30/1286241730.db2.gz MHOUEAUGDIBGGW-OAHLLOKOSA-N -1 0 332.381 2.671 20 30 EFEDRM N#Cc1ccncc1N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000814176767 1286359160 /nfs/dbraw/zinc/35/91/60/1286359160.db2.gz UAEPLGNNCIDYCU-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM O=C([O-])COc1ccc(C=NOCC2CC2)cc1Br ZINC000814243772 1286439566 /nfs/dbraw/zinc/43/95/66/1286439566.db2.gz MPIQNZDWCDMKPR-UHFFFAOYSA-N -1 0 328.162 2.673 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CC3CCC2CC3)n1 ZINC000814496326 1286706002 /nfs/dbraw/zinc/70/60/02/1286706002.db2.gz PLOOPIWFJVGYJR-HOAMVYINSA-N -1 0 332.425 2.997 20 30 EFEDRM Cn1c(=O)sc2cc(C=NNc3ccc(C(=O)[O-])cc3)ccc21 ZINC000814680661 1286889881 /nfs/dbraw/zinc/88/98/81/1286889881.db2.gz CDEYJYZNYHDZBM-UHFFFAOYSA-N -1 0 327.365 2.744 20 30 EFEDRM Cc1cc(C)nc(N=NC(C)CCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000814681203 1286891120 /nfs/dbraw/zinc/89/11/20/1286891120.db2.gz BQKMRVOTWFPUPM-UHFFFAOYSA-N -1 0 342.399 2.977 20 30 EFEDRM Cc1cc(C)nc(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)n1 ZINC000814681445 1286891715 /nfs/dbraw/zinc/89/17/15/1286891715.db2.gz MSXKLVPXDHFDAS-ZDUSSCGKSA-N -1 0 328.372 2.781 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000814717179 1286962010 /nfs/dbraw/zinc/96/20/10/1286962010.db2.gz BBZSUCYDRUYKKH-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM C[C@@H]1C(=NNC(=S)Nc2cccnc2)CC[C@H](C(=O)[O-])C1(C)C ZINC000814720473 1286964068 /nfs/dbraw/zinc/96/40/68/1286964068.db2.gz MKGKENALLLMEEK-ZYHUDNBSSA-N -1 0 334.445 2.881 20 30 EFEDRM C[C@H]1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C1 ZINC000814800844 1287030266 /nfs/dbraw/zinc/03/02/66/1287030266.db2.gz OHBWKHUTAXLJRM-LBPRGKRZSA-N -1 0 345.428 2.865 20 30 EFEDRM C[C@@H]1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C1 ZINC000814800843 1287030577 /nfs/dbraw/zinc/03/05/77/1287030577.db2.gz OHBWKHUTAXLJRM-GFCCVEGCSA-N -1 0 345.428 2.865 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(S(C)(=O)=O)cc1 ZINC000814802323 1287032043 /nfs/dbraw/zinc/03/20/43/1287032043.db2.gz CAQRYEQOMMJCPL-UHFFFAOYSA-N -1 0 346.408 2.851 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(O)c1Cl ZINC000814780611 1287034423 /nfs/dbraw/zinc/03/44/23/1287034423.db2.gz ALPULPWRKYGKOR-UHFFFAOYSA-N -1 0 331.784 2.926 20 30 EFEDRM Cc1nc(C#N)c(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)o1 ZINC000814812605 1287044732 /nfs/dbraw/zinc/04/47/32/1287044732.db2.gz FEKDJZKCRBTVNW-UHFFFAOYSA-N -1 0 342.355 2.934 20 30 EFEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccc(-n2cccn2)nn1 ZINC000814806660 1287071733 /nfs/dbraw/zinc/07/17/33/1287071733.db2.gz LGRNPLHNRNTKGW-UHFFFAOYSA-N -1 0 330.392 2.875 20 30 EFEDRM Cc1cc(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)nc(C)n1 ZINC000814807431 1287076489 /nfs/dbraw/zinc/07/64/89/1287076489.db2.gz VPWBXIYCEFCRFP-LBPRGKRZSA-N -1 0 328.372 2.781 20 30 EFEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCC[NH+]1CCCCC1 ZINC000814808315 1287077233 /nfs/dbraw/zinc/07/72/33/1287077233.db2.gz HEUUSXMSRPBZFW-UHFFFAOYSA-N -1 0 347.459 2.534 20 30 EFEDRM C#Cc1cccc(NC(=S)NN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000814831705 1287078574 /nfs/dbraw/zinc/07/85/74/1287078574.db2.gz NLPJALRPRPPJSP-ABAIWWIYSA-N -1 0 329.425 2.831 20 30 EFEDRM COc1cc(C(C)N=Nc2cccnn2)ccc1OCCCC(=O)[O-] ZINC000814853339 1287100534 /nfs/dbraw/zinc/10/05/34/1287100534.db2.gz DEHVCPGLGQCRNB-UHFFFAOYSA-N -1 0 344.371 2.565 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174673746 1287108280 /nfs/dbraw/zinc/10/82/80/1287108280.db2.gz MLILSTVDEQUERI-UHFFFAOYSA-N -1 0 332.337 2.857 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174675643 1287109657 /nfs/dbraw/zinc/10/96/57/1287109657.db2.gz QRGGUEKOGZIFIZ-UHFFFAOYSA-N -1 0 339.351 2.677 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NNC1CCOCC1 ZINC000814869699 1287110512 /nfs/dbraw/zinc/11/05/12/1287110512.db2.gz SKMYTYFIJWJQGO-UHFFFAOYSA-N -1 0 334.416 2.617 20 30 EFEDRM O=C([O-])C1(c2ccccc2)CC(=NNc2nc(=O)c3ccccc3[nH]2)C1 ZINC000814868896 1287110579 /nfs/dbraw/zinc/11/05/79/1287110579.db2.gz MGGQDBMBYSEHRE-UHFFFAOYSA-N -1 0 348.362 2.920 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNC1CCOCC1 ZINC000814869833 1287110603 /nfs/dbraw/zinc/11/06/03/1287110603.db2.gz XVYSGJMWEOGSOI-AWEZNQCLSA-N -1 0 334.416 2.616 20 30 EFEDRM COC(=O)c1ccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)nc1 ZINC000814888866 1287129275 /nfs/dbraw/zinc/12/92/75/1287129275.db2.gz SXLQRZQLCIBPRM-OLZOCXBDSA-N -1 0 333.388 2.793 20 30 EFEDRM COc1cc(C(C)=NNc2ccncc2)ccc1OCCCC(=O)[O-] ZINC000814899829 1287136961 /nfs/dbraw/zinc/13/69/61/1287136961.db2.gz QBLDTRDTKADMHW-UHFFFAOYSA-N -1 0 343.383 2.592 20 30 EFEDRM Nc1nc(Cl)cc(NN=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814899100 1287140434 /nfs/dbraw/zinc/14/04/34/1287140434.db2.gz HFGGTQISEXHTOG-UHFFFAOYSA-N -1 0 326.143 2.510 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@H]1CCCOC1 ZINC000814909464 1287148291 /nfs/dbraw/zinc/14/82/91/1287148291.db2.gz YLLQPBJJPCFVCV-HOCLYGCPSA-N -1 0 334.416 2.616 20 30 EFEDRM CC(N=Nc1ncncc1Cl)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814909558 1287148735 /nfs/dbraw/zinc/14/87/35/1287148735.db2.gz MYCIDWOWZVQDIO-SNVBAGLBSA-N -1 0 334.763 2.818 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCCOC1 ZINC000814909462 1287148873 /nfs/dbraw/zinc/14/88/73/1287148873.db2.gz YLLQPBJJPCFVCV-GOEBONIOSA-N -1 0 334.416 2.616 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2ccccn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814882123 1287152025 /nfs/dbraw/zinc/15/20/25/1287152025.db2.gz DODBSBDADQEORE-QWRGUYRKSA-N -1 0 334.445 2.881 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN[C@@H]1CCSC1 ZINC000814933115 1287165666 /nfs/dbraw/zinc/16/56/66/1287165666.db2.gz DZCUYCHMTHSAMF-DZGCQCFKSA-N -1 0 336.457 2.942 20 30 EFEDRM O=C([O-])C1(c2cccc(Cl)c2)CC(N=Nc2ncncc2F)C1 ZINC000814939878 1287168821 /nfs/dbraw/zinc/16/88/21/1287168821.db2.gz HNYUWNKRKZZZNM-UHFFFAOYSA-N -1 0 334.738 2.853 20 30 EFEDRM O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccc(-n2ccnc2)nn1 ZINC000814915489 1287173720 /nfs/dbraw/zinc/17/37/20/1287173720.db2.gz WTNZWEXWAHVETQ-UHFFFAOYSA-N -1 0 348.366 2.513 20 30 EFEDRM CCC(=NN[C@H]1CCOC1)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000814917898 1287174014 /nfs/dbraw/zinc/17/40/14/1287174014.db2.gz VROKMRRPUHPBBU-HNNXBMFYSA-N -1 0 334.416 2.813 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc(-n3ccnc3)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814915175 1287174268 /nfs/dbraw/zinc/17/42/68/1287174268.db2.gz PYSFXTZPERQJGE-NEPJUHHUSA-N -1 0 342.403 2.587 20 30 EFEDRM O=C1C=C(NN=c2[n-]nc(-c3ccccc3)s2)[C@@H]2CCCCN12 ZINC000814947127 1287178421 /nfs/dbraw/zinc/17/84/21/1287178421.db2.gz CEXNDQYWJFDVDD-ZDUSSCGKSA-N -1 0 327.413 2.758 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1nc(-c2cccnc2)no1 ZINC000814948561 1287179095 /nfs/dbraw/zinc/17/90/95/1287179095.db2.gz UFIMTWCWUMLPJD-UHFFFAOYSA-N -1 0 337.339 2.893 20 30 EFEDRM CC(N=Nc1nc(-c2cccnc2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000814950742 1287182905 /nfs/dbraw/zinc/18/29/05/1287182905.db2.gz USBWCSOHUGIHPY-UHFFFAOYSA-N -1 0 340.299 2.582 20 30 EFEDRM O=C([O-])CNN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000814957187 1287187112 /nfs/dbraw/zinc/18/71/12/1287187112.db2.gz WCEAEKKLXHYCIY-UHFFFAOYSA-N -1 0 326.381 2.609 20 30 EFEDRM C[C@@H]1CCc2ccc(Br)cc2C(=NNCC(=O)[O-])C1 ZINC000814958268 1287187264 /nfs/dbraw/zinc/18/72/64/1287187264.db2.gz IIQYHIOSVGWETL-SECBINFHSA-N -1 0 325.206 2.800 20 30 EFEDRM COc1cc(C=NNCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000814958308 1287187462 /nfs/dbraw/zinc/18/74/62/1287187462.db2.gz KVOXUCCHPPPRKW-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1 ZINC000815790022 1287838261 /nfs/dbraw/zinc/83/82/61/1287838261.db2.gz VEMHRGPENHEYPA-GOSISDBHSA-N -1 0 349.390 2.738 20 30 EFEDRM COC(=O)C12CCC(C(=O)Nc3cc(C#N)ccc3[O-])(CC1)CC2 ZINC000815877668 1287864117 /nfs/dbraw/zinc/86/41/17/1287864117.db2.gz BGLKXBNAEGYOSY-UHFFFAOYSA-N -1 0 328.368 2.716 20 30 EFEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C(C)=O)c1 ZINC000815909185 1287879145 /nfs/dbraw/zinc/87/91/45/1287879145.db2.gz SZRFCEGSIHLMCF-LBPRGKRZSA-N -1 0 342.376 2.920 20 30 EFEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000815942024 1287900125 /nfs/dbraw/zinc/90/01/25/1287900125.db2.gz VVBATDFEHZCCML-JTQLQIEISA-N -1 0 329.360 2.845 20 30 EFEDRM Cc1nnc([N-]c2ccc(S(=O)(=O)OCC(C)(C)C)cc2)o1 ZINC001176260730 1287932945 /nfs/dbraw/zinc/93/29/45/1287932945.db2.gz PJPOKKOXXOSGFS-UHFFFAOYSA-N -1 0 325.390 2.873 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1nc(C)oc1C)c1ccccc1 ZINC000816038597 1287950103 /nfs/dbraw/zinc/95/01/03/1287950103.db2.gz BQFYANJCQSYGGN-CABCVRRESA-N -1 0 325.368 2.881 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000816089461 1287979998 /nfs/dbraw/zinc/97/99/98/1287979998.db2.gz XCDKSHGSFQPYMF-UHFFFAOYSA-N -1 0 349.330 2.595 20 30 EFEDRM CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000816196317 1288020843 /nfs/dbraw/zinc/02/08/43/1288020843.db2.gz ZHZKZQQCLYUMRE-UHFFFAOYSA-N -1 0 349.437 2.555 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000816753123 1288263610 /nfs/dbraw/zinc/26/36/10/1288263610.db2.gz ZRERXOIODUBEQQ-UHFFFAOYSA-N -1 0 348.362 2.866 20 30 EFEDRM N#Cc1c[nH]c2cc(NC(=O)CSc3n[n-]c(=S)s3)ccc12 ZINC001177343567 1288401079 /nfs/dbraw/zinc/40/10/79/1288401079.db2.gz MADDZXZRWOCPIG-UHFFFAOYSA-N -1 0 347.450 2.911 20 30 EFEDRM N#CCCNCc1cc(Br)c([O-])c(Br)c1 ZINC000218408495 1288562461 /nfs/dbraw/zinc/56/24/61/1288562461.db2.gz JDNNFMLFSHBNEQ-UHFFFAOYSA-N -1 0 334.011 2.920 20 30 EFEDRM CN(C)Cc1cnc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)s1 ZINC000794695237 1302978406 /nfs/dbraw/zinc/97/84/06/1302978406.db2.gz MJHVUBQNEQHLIC-VOTSOKGWSA-N -1 0 346.408 2.564 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C\c2ccc(CC(=O)[O-])cc2)c1C ZINC000863189240 1302550801 /nfs/dbraw/zinc/55/08/01/1302550801.db2.gz FHLUBBMAFGECBG-HJWRWDBZSA-N -1 0 342.395 2.670 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000870242454 1305220590 /nfs/dbraw/zinc/22/05/90/1305220590.db2.gz CORGWTSGHAISMW-AWEZNQCLSA-N -1 0 327.359 2.819 20 30 EFEDRM C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000870243454 1305221647 /nfs/dbraw/zinc/22/16/47/1305221647.db2.gz NLNVAWUJTAOGME-WFASDCNBSA-N -1 0 327.359 2.720 20 30 EFEDRM O=C([N-]Cc1ccn(CC(F)(F)F)n1)C(F)(F)C(F)(F)Cl ZINC001179781814 1289256091 /nfs/dbraw/zinc/25/60/91/1289256091.db2.gz RBSQZIQAXRTVRV-UHFFFAOYSA-N -1 0 341.614 2.529 20 30 EFEDRM COc1cccc2c1OC[C@@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])C2 ZINC001180404980 1289526437 /nfs/dbraw/zinc/52/64/37/1289526437.db2.gz UELBBOXCCZVTCQ-LBPRGKRZSA-N -1 0 342.326 2.601 20 30 EFEDRM N#CCCCCNC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181015943 1289676802 /nfs/dbraw/zinc/67/68/02/1289676802.db2.gz FBJQIHWOJUBLHR-CYBMUJFWSA-N -1 0 341.333 2.606 20 30 EFEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2)cc1 ZINC000124489724 1289765953 /nfs/dbraw/zinc/76/59/53/1289765953.db2.gz FODSEZBSYNBLAB-SFHVURJKSA-N -1 0 349.390 2.702 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(C)CC(F)(F)C2)n1 ZINC000873439561 1289814879 /nfs/dbraw/zinc/81/48/79/1289814879.db2.gz IZCYNZPTRLEAFX-VIFPVBQESA-N -1 0 328.340 2.606 20 30 EFEDRM CC(C)(C)OC(=O)N1CCN(Cc2cc(C#N)ccc2[O-])C[C@@H](F)C1 ZINC001232676110 1312758617 /nfs/dbraw/zinc/75/86/17/1312758617.db2.gz ZHNRYVSWZSDXGO-OAHLLOKOSA-N -1 0 349.406 2.655 20 30 EFEDRM CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])O1 ZINC000091515474 1290164813 /nfs/dbraw/zinc/16/48/13/1290164813.db2.gz JAJRNJGCLIMERM-GPDBSNDWSA-N -1 0 345.226 2.754 20 30 EFEDRM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000124833122 1290205017 /nfs/dbraw/zinc/20/50/17/1290205017.db2.gz DWXSKXXJPNZQBZ-UHFFFAOYSA-N -1 0 346.033 2.528 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2cc(F)c(C#N)cc2C)cc1C(=O)[O-] ZINC001184699180 1290496151 /nfs/dbraw/zinc/49/61/51/1290496151.db2.gz MRJQNBZEMFKPCK-UHFFFAOYSA-N -1 0 348.355 2.813 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2Cl)c2cccnc12 ZINC001184884876 1290537014 /nfs/dbraw/zinc/53/70/14/1290537014.db2.gz OZSCHKNJKSJLNY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1CCCN1Cc1ccccc1 ZINC000091868133 1290574503 /nfs/dbraw/zinc/57/45/03/1290574503.db2.gz MFSLITYNBQDLHM-INIZCTEOSA-N -1 0 336.457 2.880 20 30 EFEDRM Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185341909 1290659221 /nfs/dbraw/zinc/65/92/21/1290659221.db2.gz NHKQENURFFWJHH-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C#N ZINC001185905936 1290783014 /nfs/dbraw/zinc/78/30/14/1290783014.db2.gz FIJJBVGUKPHOBZ-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(CC#N)c1 ZINC001185917724 1290792809 /nfs/dbraw/zinc/79/28/09/1290792809.db2.gz IPIRHCIVQKOQFB-UHFFFAOYSA-N -1 0 348.355 2.699 20 30 EFEDRM CCn1nncc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000876498128 1290931420 /nfs/dbraw/zinc/93/14/20/1290931420.db2.gz PFTJCOXORBPVAT-VOTSOKGWSA-N -1 0 329.356 2.680 20 30 EFEDRM N#CC1(NC(=O)c2cc(F)c(F)c([O-])c2F)Cc2ccccc2C1 ZINC001186801840 1291013976 /nfs/dbraw/zinc/01/39/76/1291013976.db2.gz MOSSFHWFLXPTJE-UHFFFAOYSA-N -1 0 332.281 2.600 20 30 EFEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1 ZINC000126183082 1291035498 /nfs/dbraw/zinc/03/54/98/1291035498.db2.gz GJKSFXRCEFJOHT-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CC(C)COc1ncccc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000093241819 1291082618 /nfs/dbraw/zinc/08/26/18/1291082618.db2.gz DHCBPTZYZTWOAQ-UHFFFAOYSA-N -1 0 340.426 2.871 20 30 EFEDRM CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000093241848 1291082729 /nfs/dbraw/zinc/08/27/29/1291082729.db2.gz QLECGSJXTXAANT-UHFFFAOYSA-N -1 0 326.399 2.624 20 30 EFEDRM COc1ncccc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000093247141 1291082752 /nfs/dbraw/zinc/08/27/52/1291082752.db2.gz YQDJZXTWGNOWEO-UHFFFAOYSA-N -1 0 344.392 2.712 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cs1 ZINC001187106388 1291093163 /nfs/dbraw/zinc/09/31/63/1291093163.db2.gz TXBXNQPDHHAQAG-UHFFFAOYSA-N -1 0 344.830 2.783 20 30 EFEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1nccs1 ZINC001187890159 1291265636 /nfs/dbraw/zinc/26/56/36/1291265636.db2.gz CZASELYXQKPFLM-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187969743 1291275852 /nfs/dbraw/zinc/27/58/52/1291275852.db2.gz UZSNURHPSUFXLX-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O ZINC001187994101 1291281406 /nfs/dbraw/zinc/28/14/06/1291281406.db2.gz DDLSCJBOUCDZSQ-UHFFFAOYSA-N -1 0 347.868 2.936 20 30 EFEDRM Cc1coc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1C#N ZINC001188047674 1291289705 /nfs/dbraw/zinc/28/97/05/1291289705.db2.gz HGLVMVUIWIINQW-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM COc1c(Br)ccc([N-]S(=O)(=O)C2CCC2)c1C#N ZINC001188144531 1291318581 /nfs/dbraw/zinc/31/85/81/1291318581.db2.gz MKOVWPDLVBTNKD-UHFFFAOYSA-N -1 0 345.218 2.624 20 30 EFEDRM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233076731 1312849931 /nfs/dbraw/zinc/84/99/31/1312849931.db2.gz FFYJKDSQTOBAEF-HNNXBMFYSA-N -1 0 349.381 2.706 20 30 EFEDRM N=C(c1ccccc1N)N(O)C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588497 1291428912 /nfs/dbraw/zinc/42/89/12/1291428912.db2.gz DKDHIIBKDBVHLN-UHFFFAOYSA-N -1 0 339.273 2.850 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189074712 1291574125 /nfs/dbraw/zinc/57/41/25/1291574125.db2.gz FHZLJRDZOKXCQE-UHFFFAOYSA-N -1 0 335.816 2.900 20 30 EFEDRM COc1ccc(C#N)c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001189097609 1291584290 /nfs/dbraw/zinc/58/42/90/1291584290.db2.gz ZMVZSHVOAGUGMM-UHFFFAOYSA-N -1 0 334.335 2.710 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189272765 1291661642 /nfs/dbraw/zinc/66/16/42/1291661642.db2.gz MTEURYCMKGOMJW-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2SC(=O)[N-]C2=O)c1 ZINC001189274827 1291662508 /nfs/dbraw/zinc/66/25/08/1291662508.db2.gz LGYRJSHKOBNZKH-ZDUSSCGKSA-N -1 0 333.413 2.563 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309126 1291667295 /nfs/dbraw/zinc/66/72/95/1291667295.db2.gz JQJXTDLGGMSULJ-UHFFFAOYSA-N -1 0 347.346 2.958 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c1 ZINC001189586170 1291772069 /nfs/dbraw/zinc/77/20/69/1291772069.db2.gz LIAINDVQQLHMCZ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2c(OC)cccc2OC)cc1 ZINC000775279197 1291785128 /nfs/dbraw/zinc/78/51/28/1291785128.db2.gz SOLHBSVDPZOMDJ-UHFFFAOYSA-N -1 0 347.392 2.517 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C#N)c1 ZINC001189824176 1291883429 /nfs/dbraw/zinc/88/34/29/1291883429.db2.gz QSMMNDHRKGIZFT-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189826593 1291884252 /nfs/dbraw/zinc/88/42/52/1291884252.db2.gz ARHUUSGTTSQQEI-UHFFFAOYSA-N -1 0 347.346 2.958 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC001189827031 1291884320 /nfs/dbraw/zinc/88/43/20/1291884320.db2.gz JCOHSOIOUYQKNS-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189827643 1291886200 /nfs/dbraw/zinc/88/62/00/1291886200.db2.gz SJXBETKDADBPRP-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C#N)c1 ZINC001189830592 1291889685 /nfs/dbraw/zinc/88/96/85/1291889685.db2.gz BBHRODPAPNYRDN-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)CCCF)n2)s1 ZINC001189874843 1291899777 /nfs/dbraw/zinc/89/97/77/1291899777.db2.gz YEIUMWWVEQXOFI-UHFFFAOYSA-N -1 0 331.419 2.845 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)o1 ZINC001189957559 1291947262 /nfs/dbraw/zinc/94/72/62/1291947262.db2.gz RONYJIZYRDSIQJ-UHFFFAOYSA-N -1 0 349.265 2.813 20 30 EFEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190193886 1292033252 /nfs/dbraw/zinc/03/32/52/1292033252.db2.gz BAMRAQLEGTUWCA-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccc1Cl ZINC001190181335 1292049419 /nfs/dbraw/zinc/04/94/19/1292049419.db2.gz JVYIWQBBDRQKSM-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1 ZINC000127653270 1292069623 /nfs/dbraw/zinc/06/96/23/1292069623.db2.gz WGUCSLYDVAEJTF-KRWDZBQOSA-N -1 0 340.379 2.812 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190390438 1292143569 /nfs/dbraw/zinc/14/35/69/1292143569.db2.gz NCDJHOCUDKKMMV-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190392162 1292144876 /nfs/dbraw/zinc/14/48/76/1292144876.db2.gz MITGOBWOPOZGMI-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#CC1([N-]S(=O)(=O)c2cc(F)cc(F)c2F)CCCCCC1 ZINC001190404400 1292153216 /nfs/dbraw/zinc/15/32/16/1292153216.db2.gz SWHUXFMUJWYCLP-UHFFFAOYSA-N -1 0 332.347 2.999 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127834067 1292174848 /nfs/dbraw/zinc/17/48/48/1292174848.db2.gz FQNTZORZZKOLFN-CHWSQXEVSA-N -1 0 341.392 2.956 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n(C(C)(C)C)n1 ZINC001190615784 1292227109 /nfs/dbraw/zinc/22/71/09/1292227109.db2.gz BXKYMUNDADFUNA-UHFFFAOYSA-N -1 0 336.392 2.758 20 30 EFEDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190616550 1292228449 /nfs/dbraw/zinc/22/84/49/1292228449.db2.gz WXNNTLXEDVVCIQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617821 1292229364 /nfs/dbraw/zinc/22/93/64/1292229364.db2.gz RLGAUZRTEMMZKD-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c2ccccc2n1 ZINC001190608531 1292248559 /nfs/dbraw/zinc/24/85/59/1292248559.db2.gz UFTHHNOQTRYRNJ-UHFFFAOYSA-N -1 0 341.367 2.777 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)c1 ZINC001190657880 1292249660 /nfs/dbraw/zinc/24/96/60/1292249660.db2.gz MBQJFOYLRXBASN-UHFFFAOYSA-N -1 0 343.339 2.752 20 30 EFEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1C#N ZINC001190658301 1292249672 /nfs/dbraw/zinc/24/96/72/1292249672.db2.gz SCLGESHAIZRGSY-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(F)ccc(F)c2C#N)c1 ZINC001190657884 1292250299 /nfs/dbraw/zinc/25/02/99/1292250299.db2.gz MFSIFMZIYXOAND-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc(F)c1F ZINC001190657905 1292250568 /nfs/dbraw/zinc/25/05/68/1292250568.db2.gz MPYZGMSPIKCRPA-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000879763936 1292262465 /nfs/dbraw/zinc/26/24/65/1292262465.db2.gz PHAPIUKNPHTVLZ-HNNXBMFYSA-N -1 0 344.764 2.834 20 30 EFEDRM COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648073 1292263617 /nfs/dbraw/zinc/26/36/17/1292263617.db2.gz RUGREJPBXVJNHJ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1 ZINC001190651248 1292264790 /nfs/dbraw/zinc/26/47/90/1292264790.db2.gz YCDNXJRNGIDVCV-UHFFFAOYSA-N -1 0 332.356 2.823 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190648322 1292265066 /nfs/dbraw/zinc/26/50/66/1292265066.db2.gz LGOUSOULURYBEA-UHFFFAOYSA-N -1 0 329.356 2.932 20 30 EFEDRM Cc1cc2c([N-]S(=O)(=O)c3cc(C#N)ccc3F)cccc2nn1 ZINC001190648205 1292265344 /nfs/dbraw/zinc/26/53/44/1292265344.db2.gz WKAWHGCCNLGEGZ-UHFFFAOYSA-N -1 0 342.355 2.750 20 30 EFEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190648398 1292265414 /nfs/dbraw/zinc/26/54/14/1292265414.db2.gz NZPDINWXAWAONU-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COC(=O)c1cc(C)cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190655262 1292269803 /nfs/dbraw/zinc/26/98/03/1292269803.db2.gz BWYFZVYCMCVRFX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190657839 1292271040 /nfs/dbraw/zinc/27/10/40/1292271040.db2.gz LLHYFDHUIWMEOQ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ncc[nH]1 ZINC001190686261 1292285400 /nfs/dbraw/zinc/28/54/00/1292285400.db2.gz GEPOUMVBMQXBRP-UHFFFAOYSA-N -1 0 348.384 2.950 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2sc(CC)cc2C(=O)OC)CC1 ZINC001190766623 1292304736 /nfs/dbraw/zinc/30/47/36/1292304736.db2.gz UQAFXPUOWSGLBT-UHFFFAOYSA-N -1 0 329.443 2.948 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccccc2)CC1 ZINC001190773096 1292307878 /nfs/dbraw/zinc/30/78/78/1292307878.db2.gz RXUUTZJMMVKNIH-UHFFFAOYSA-N -1 0 328.397 2.594 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC001190773801 1292308098 /nfs/dbraw/zinc/30/80/98/1292308098.db2.gz QSMSKNXEGKFNPJ-UHFFFAOYSA-N -1 0 331.319 2.822 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2nc3cccc(C(F)(F)F)n3n2)CC1 ZINC001190777291 1292311684 /nfs/dbraw/zinc/31/16/84/1292311684.db2.gz XOIQNWALTJFXFW-UHFFFAOYSA-N -1 0 346.334 2.599 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC001190823102 1292329927 /nfs/dbraw/zinc/32/99/27/1292329927.db2.gz OQMYVKWFBVLNAO-UHFFFAOYSA-N -1 0 343.264 2.847 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)OC)c2O)CC1 ZINC001190813347 1292345505 /nfs/dbraw/zinc/34/55/05/1292345505.db2.gz HDKLKPRTIDVUNE-UHFFFAOYSA-N -1 0 345.804 2.683 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)OC)CC1 ZINC001190814001 1292345663 /nfs/dbraw/zinc/34/56/63/1292345663.db2.gz WBSBVGVITBXQMO-UHFFFAOYSA-N -1 0 329.805 2.977 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2OC)CC1 ZINC001190814064 1292346405 /nfs/dbraw/zinc/34/64/05/1292346405.db2.gz XJLOSWHPLBWQMC-UHFFFAOYSA-N -1 0 339.413 2.722 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccncc2)cccc1C(F)(F)F ZINC001190896088 1292368166 /nfs/dbraw/zinc/36/81/66/1292368166.db2.gz BVSSJYBGUAEUQX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ncc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190939000 1292378091 /nfs/dbraw/zinc/37/80/91/1292378091.db2.gz KFLFHBDFIQFCRA-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1cncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC001190937265 1292378508 /nfs/dbraw/zinc/37/85/08/1292378508.db2.gz GMMMLTDNSGXKIL-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190942462 1292379883 /nfs/dbraw/zinc/37/98/83/1292379883.db2.gz IEWOBLSPCHDTER-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC(C)Cn1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190943088 1292381153 /nfs/dbraw/zinc/38/11/53/1292381153.db2.gz UGXIPQXXDSZYQH-UHFFFAOYSA-N -1 0 338.820 2.865 20 30 EFEDRM Cn1cc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc2n1 ZINC001190971766 1292405491 /nfs/dbraw/zinc/40/54/91/1292405491.db2.gz SSCUDILUWODWDU-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(CO)c2)c1 ZINC001190971502 1292405649 /nfs/dbraw/zinc/40/56/49/1292405649.db2.gz MFVFDEDCSMKYCB-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c1 ZINC001190972779 1292406849 /nfs/dbraw/zinc/40/68/49/1292406849.db2.gz KHKBGVSWLJHWKU-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c1 ZINC001190973174 1292407390 /nfs/dbraw/zinc/40/73/90/1292407390.db2.gz WDIXPUIHTYETNP-UHFFFAOYSA-N -1 0 334.784 2.947 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2c(F)cc(O)cc2F)c1 ZINC001190981233 1292410824 /nfs/dbraw/zinc/41/08/24/1292410824.db2.gz GCKKZQWLSGKERR-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)c1 ZINC001190981996 1292412935 /nfs/dbraw/zinc/41/29/35/1292412935.db2.gz YNRHBZUGEBNJAI-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)ccnc2C#N)c1 ZINC001191158064 1292484363 /nfs/dbraw/zinc/48/43/63/1292484363.db2.gz TVRQWLRWBNOFFO-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C#N)cc1 ZINC001191411496 1292536327 /nfs/dbraw/zinc/53/63/27/1292536327.db2.gz YKGYHQQQGQYRGA-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc(Br)o1 ZINC001191725825 1292622406 /nfs/dbraw/zinc/62/24/06/1292622406.db2.gz MTTCIGGFWXMROU-UHFFFAOYSA-N -1 0 328.072 2.839 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001191821384 1292680063 /nfs/dbraw/zinc/68/00/63/1292680063.db2.gz OKJGGNAHPUCSOP-UHFFFAOYSA-N -1 0 341.392 2.938 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cn1 ZINC001192001275 1292736808 /nfs/dbraw/zinc/73/68/08/1292736808.db2.gz GWZRUXGJBAOSRP-UHFFFAOYSA-N -1 0 342.635 2.952 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)n1 ZINC001191866084 1292697495 /nfs/dbraw/zinc/69/74/95/1292697495.db2.gz KSYQDVHXRTWDDL-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM COc1ccc2cc(S(=O)(=O)[N-]c3cncc(C#N)c3)ccc2c1 ZINC001191936130 1292719749 /nfs/dbraw/zinc/71/97/49/1292719749.db2.gz GJIICINCAGIQBI-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM COc1cc(C#N)cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1 ZINC001192040027 1292757891 /nfs/dbraw/zinc/75/78/91/1292757891.db2.gz DIHVMVATFICSOE-UHFFFAOYSA-N -1 0 329.592 2.636 20 30 EFEDRM C=C1CC=C(F)C=C1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192159369 1292797288 /nfs/dbraw/zinc/79/72/88/1292797288.db2.gz PMYIDWYBTUEMHB-UHFFFAOYSA-N -1 0 337.372 2.679 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc2cccc(C#N)c2c1 ZINC001233566865 1312957946 /nfs/dbraw/zinc/95/79/46/1312957946.db2.gz WXAIAGYQBUCKNZ-INIZCTEOSA-N -1 0 347.392 2.549 20 30 EFEDRM C=CCCCCN(C)S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192637876 1292970396 /nfs/dbraw/zinc/97/03/96/1292970396.db2.gz GYINWVGHJFUHAM-UHFFFAOYSA-N -1 0 341.429 2.760 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)o1 ZINC001192682575 1292985728 /nfs/dbraw/zinc/98/57/28/1292985728.db2.gz CWPFEFDSNQAPKS-UHFFFAOYSA-N -1 0 342.332 2.803 20 30 EFEDRM N#Cc1ccccc1N1CCN(C(=O)c2c([O-])ccc(F)c2F)CC1 ZINC001192717486 1293020559 /nfs/dbraw/zinc/02/05/59/1293020559.db2.gz AJGWIZWJLCERLG-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1cnc(C(C)(C)C)cn1 ZINC001192783223 1293036164 /nfs/dbraw/zinc/03/61/64/1293036164.db2.gz OLVOUFWJORDGKZ-UHFFFAOYSA-N -1 0 344.396 2.746 20 30 EFEDRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2C#N)c1 ZINC001192804812 1293055067 /nfs/dbraw/zinc/05/50/67/1293055067.db2.gz FOGMMNVQMLIOGN-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cnccc2Cl)c(C#N)c1 ZINC001192897030 1293092895 /nfs/dbraw/zinc/09/28/95/1293092895.db2.gz GKINGOXJDGURAD-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192896829 1293093310 /nfs/dbraw/zinc/09/33/10/1293093310.db2.gz CZCJHCZGYBAZFT-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001192943304 1293104542 /nfs/dbraw/zinc/10/45/42/1293104542.db2.gz NZRQRKLIVUYXOR-UHFFFAOYSA-N -1 0 331.275 2.626 20 30 EFEDRM N#CCS(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001193005042 1293123186 /nfs/dbraw/zinc/12/31/86/1293123186.db2.gz KLHQAPJIYAKZBR-ZDUSSCGKSA-N -1 0 328.315 2.886 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001192972114 1293128901 /nfs/dbraw/zinc/12/89/01/1293128901.db2.gz LLNGAJSQZXGNGD-UHFFFAOYSA-N -1 0 332.225 2.989 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001192981000 1293131436 /nfs/dbraw/zinc/13/14/36/1293131436.db2.gz VYBSFFHSPPPFPU-UHFFFAOYSA-N -1 0 332.225 2.989 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1NC(=O)OC(C)(C)C ZINC001193098141 1293166972 /nfs/dbraw/zinc/16/69/72/1293166972.db2.gz YVJNRHSUQDFBJI-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1NC(=O)OC(C)(C)C ZINC001193098139 1293167269 /nfs/dbraw/zinc/16/72/69/1293167269.db2.gz YVJNRHSUQDFBJI-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2c(Br)n1 ZINC001193106629 1293171563 /nfs/dbraw/zinc/17/15/63/1293171563.db2.gz HSXJYMOAMYEZBA-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1nc2ccc(Br)cc2s1 ZINC001193106733 1293171715 /nfs/dbraw/zinc/17/17/15/1293171715.db2.gz WKDYFNVWYCRYQU-ZCFIWIBFSA-N -1 0 346.231 2.713 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc2cc(Br)ccc2cn1 ZINC001193107272 1293171769 /nfs/dbraw/zinc/17/17/69/1293171769.db2.gz SGNHNXMBBJGUSK-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM CCOC(=O)c1sc2ccccc2c1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193105117 1293171797 /nfs/dbraw/zinc/17/17/97/1293171797.db2.gz QZTZQNWETGKQPQ-SECBINFHSA-N -1 0 338.410 2.732 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1Br ZINC001193148948 1293185899 /nfs/dbraw/zinc/18/58/99/1293185899.db2.gz HYRXPFVHIDHWFQ-SCSAIBSYSA-N -1 0 343.124 2.520 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1F ZINC001193148760 1293185994 /nfs/dbraw/zinc/18/59/94/1293185994.db2.gz DOJHREBFBPVYRC-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1Br ZINC001193148947 1293186058 /nfs/dbraw/zinc/18/60/58/1293186058.db2.gz HYRXPFVHIDHWFQ-BYPYZUCNSA-N -1 0 343.124 2.520 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1NC(=O)OC(C)(C)C ZINC001193150501 1293187042 /nfs/dbraw/zinc/18/70/42/1293187042.db2.gz GQEQPEUAKKRKRO-VIFPVBQESA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1OC(F)(F)F ZINC001193151735 1293187580 /nfs/dbraw/zinc/18/75/80/1293187580.db2.gz SUCKKLIVYSOLOT-ZCFIWIBFSA-N -1 0 328.699 2.892 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)c2ncccc12 ZINC001193158337 1293188293 /nfs/dbraw/zinc/18/82/93/1293188293.db2.gz OEFSEQAGNCKJPU-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1NC(=O)OC(C)(C)C ZINC001193157085 1293188420 /nfs/dbraw/zinc/18/84/20/1293188420.db2.gz AFKGTKWYBGWLEJ-SECBINFHSA-N -1 0 343.380 2.826 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC001193157701 1293188482 /nfs/dbraw/zinc/18/84/82/1293188482.db2.gz IDFIYTVRGVKEGY-RXMQYKEDSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C#N ZINC001193157356 1293189011 /nfs/dbraw/zinc/18/90/11/1293189011.db2.gz CLFSVLGQXYOQDE-ZCFIWIBFSA-N -1 0 348.609 2.628 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1N(C)C(=O)OC(C)(C)C ZINC001193161929 1293189809 /nfs/dbraw/zinc/18/98/09/1293189809.db2.gz VHNAVEKBYGALPT-NSHDSACASA-N -1 0 339.417 2.712 20 30 EFEDRM CCC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193160671 1293190042 /nfs/dbraw/zinc/19/00/42/1293190042.db2.gz HGOMQMJMLONDPN-MRVPVSSYSA-N -1 0 345.218 2.696 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc2ncccc2c(C(F)(F)F)c1 ZINC001193159040 1293190573 /nfs/dbraw/zinc/19/05/73/1293190573.db2.gz ZDJBQKQEEREHMS-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193169146 1293192212 /nfs/dbraw/zinc/19/22/12/1293192212.db2.gz VGQYAZIMZVJBBF-OIBJUYFYSA-N -1 0 326.727 2.775 20 30 EFEDRM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCO2)nc1 ZINC001193280425 1293232308 /nfs/dbraw/zinc/23/23/08/1293232308.db2.gz PXKPBQOEXKOVLQ-AWEZNQCLSA-N -1 0 343.408 2.541 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2sccc2C#N)c1 ZINC001193388673 1293285802 /nfs/dbraw/zinc/28/58/02/1293285802.db2.gz MWLRWMQIZYLBJA-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C#N)c1 ZINC001193428489 1293305863 /nfs/dbraw/zinc/30/58/63/1293305863.db2.gz ZCMAOTMAWLVTBB-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CN(C(=O)c1ccc([O-])c(C#N)c1)c1ncc(C(F)(F)F)cc1N ZINC001193498963 1293326760 /nfs/dbraw/zinc/32/67/60/1293326760.db2.gz NUISPJKUAPGDIT-UHFFFAOYSA-N -1 0 336.273 2.536 20 30 EFEDRM N#Cc1cc(C(=O)Nc2cccc(-c3cccc(N)n3)n2)ccc1[O-] ZINC001193499597 1293326870 /nfs/dbraw/zinc/32/68/70/1293326870.db2.gz SRDQHSTVZFQXJY-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM Cc1nc(Br)ccc1NC(=O)c1ccc([O-])c(C#N)c1 ZINC001193498990 1293327231 /nfs/dbraw/zinc/32/72/31/1293327231.db2.gz OIEBRVAHKVXUHA-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM N#Cc1cc(C(=O)N2CCn3cc(-c4ccccc4)nc3C2)ccc1[O-] ZINC001193505310 1293335716 /nfs/dbraw/zinc/33/57/16/1293335716.db2.gz YRISUKXOMGROPY-UHFFFAOYSA-N -1 0 344.374 2.783 20 30 EFEDRM N#Cc1cc(C(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)ccc1[O-] ZINC001193504087 1293336734 /nfs/dbraw/zinc/33/67/34/1293336734.db2.gz MDBDGAPFYSLHNC-UHFFFAOYSA-N -1 0 346.390 2.708 20 30 EFEDRM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1ccc([O-])c(C#N)c1 ZINC001193504872 1293337003 /nfs/dbraw/zinc/33/70/03/1293337003.db2.gz URGJOLUJXSJRBH-UHFFFAOYSA-N -1 0 332.363 2.722 20 30 EFEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193513805 1293341465 /nfs/dbraw/zinc/34/14/65/1293341465.db2.gz LELGWRNHYMIAHN-UHFFFAOYSA-N -1 0 329.219 2.863 20 30 EFEDRM CCCC[C@@](CC)(NC(=O)c1ccc([O-])c(C#N)c1)C(=O)OCC ZINC001193515613 1293341815 /nfs/dbraw/zinc/34/18/15/1293341815.db2.gz PUQKCZHPSKZKPD-GOSISDBHSA-N -1 0 332.400 2.896 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2cc(O)c([O-])c(Cl)c2)cc1C#N ZINC001193626308 1293373903 /nfs/dbraw/zinc/37/39/03/1293373903.db2.gz YQHIDYDOVPHVBI-UHFFFAOYSA-N -1 0 345.742 2.834 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncc(C)cc2Cl)c1 ZINC001193645033 1293384373 /nfs/dbraw/zinc/38/43/73/1293384373.db2.gz VHWGAYLWNQRUMC-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3cccc(C#N)c3[O-])C2)cc1 ZINC001193647304 1293391778 /nfs/dbraw/zinc/39/17/78/1293391778.db2.gz ZHKGCDRQLWUFOD-QGZVFWFLSA-N -1 0 347.374 2.819 20 30 EFEDRM N#Cc1cccc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)c1[O-] ZINC001193659718 1293398834 /nfs/dbraw/zinc/39/88/34/1293398834.db2.gz PVTCRWORAFMOFO-UHFFFAOYSA-N -1 0 331.331 2.668 20 30 EFEDRM N#Cc1cccc(C(=O)NCc2coc(-c3ccc(F)cc3)n2)c1[O-] ZINC001193659419 1293399273 /nfs/dbraw/zinc/39/92/73/1293399273.db2.gz MNDIMWIRHBUNRI-UHFFFAOYSA-N -1 0 337.310 2.988 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2C)c1 ZINC001193681397 1293408081 /nfs/dbraw/zinc/40/80/81/1293408081.db2.gz WYKQYLGPUTVKAA-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2C)c1 ZINC001193687970 1293410351 /nfs/dbraw/zinc/41/03/51/1293410351.db2.gz QQEUMMSXPWKPNO-UHFFFAOYSA-N -1 0 344.392 2.879 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCNc2ccccc2[N+](=O)[O-])c1 ZINC000026682513 1293452796 /nfs/dbraw/zinc/45/27/96/1293452796.db2.gz ARNQSRVFFCEHHH-MHWRWJLKSA-N -1 0 330.300 2.740 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c2ccccc12 ZINC001193833045 1293456757 /nfs/dbraw/zinc/45/67/57/1293456757.db2.gz HAAKJFLJYDWAPC-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130976731 1293461401 /nfs/dbraw/zinc/46/14/01/1293461401.db2.gz FYWWHQLYJZIZKU-CYBMUJFWSA-N -1 0 337.763 2.877 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131059651 1293473696 /nfs/dbraw/zinc/47/36/96/1293473696.db2.gz HPGDBNGJKLQLNI-CYBMUJFWSA-N -1 0 335.747 2.629 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131148393 1293489373 /nfs/dbraw/zinc/48/93/73/1293489373.db2.gz DSMNSRXJRJEKDO-GFCCVEGCSA-N -1 0 342.424 2.834 20 30 EFEDRM COC(=O)c1cccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000131243149 1293513517 /nfs/dbraw/zinc/51/35/17/1293513517.db2.gz VAARQYSDXRTASX-WOJGMQOQSA-N -1 0 328.324 2.749 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194099338 1293532017 /nfs/dbraw/zinc/53/20/17/1293532017.db2.gz KYMQUTVCGXZOGU-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)Cc2noc3ccccc23)cc(F)c1F ZINC001194099044 1293532356 /nfs/dbraw/zinc/53/23/56/1293532356.db2.gz HRHUSCQPZCNESJ-UHFFFAOYSA-N -1 0 349.318 2.920 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c(C#N)n1 ZINC001194225793 1293561009 /nfs/dbraw/zinc/56/10/09/1293561009.db2.gz JKCJFTZQUOFKIE-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])nn1CC(F)(F)F ZINC001194313101 1293581692 /nfs/dbraw/zinc/58/16/92/1293581692.db2.gz MWUINJGSBFPXHR-UHFFFAOYSA-N -1 0 342.252 2.723 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001194293810 1293592929 /nfs/dbraw/zinc/59/29/29/1293592929.db2.gz FWTGIUWEFRZWBM-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194530406 1293657679 /nfs/dbraw/zinc/65/76/79/1293657679.db2.gz LMYRVHMASJQRRU-UHFFFAOYSA-N -1 0 333.316 2.834 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ccccc1 ZINC001194528969 1293658045 /nfs/dbraw/zinc/65/80/45/1293658045.db2.gz BRDPVFGXNFXQOA-GFCCVEGCSA-N -1 0 341.314 2.644 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)F)cc2)C(=O)O1 ZINC000132423722 1293662608 /nfs/dbraw/zinc/66/26/08/1293662608.db2.gz FSGGLYGYYUQAIN-IEXSPKMKSA-N -1 0 336.290 2.559 20 30 EFEDRM N#Cc1ccc(F)cc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194568322 1293671963 /nfs/dbraw/zinc/67/19/63/1293671963.db2.gz CJQKNJFUYHBQCJ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc2ccccc2c1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194793446 1293711758 /nfs/dbraw/zinc/71/17/58/1293711758.db2.gz BEYGTTQQHIFJFW-UHFFFAOYSA-N -1 0 328.393 2.965 20 30 EFEDRM N#Cc1c(F)c(Cl)ccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194808256 1293720183 /nfs/dbraw/zinc/72/01/83/1293720183.db2.gz YIQKMPPOFVGUCY-UHFFFAOYSA-N -1 0 330.768 2.604 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000132903779 1293727438 /nfs/dbraw/zinc/72/74/38/1293727438.db2.gz BOCDOXVUAPWCKJ-UHFFFAOYSA-N -1 0 329.368 2.679 20 30 EFEDRM CCCCCCCCCOC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001194920014 1293745282 /nfs/dbraw/zinc/74/52/82/1293745282.db2.gz QIOONGGHSIDRLZ-ZDUSSCGKSA-N -1 0 331.409 2.870 20 30 EFEDRM N#CCc1cc([N-]S(=O)(=O)c2cccc3nccnc32)ccc1F ZINC001194988784 1293769659 /nfs/dbraw/zinc/76/96/59/1293769659.db2.gz YTIGMJYWTPWKPI-UHFFFAOYSA-N -1 0 342.355 2.636 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001195695172 1294005633 /nfs/dbraw/zinc/00/56/33/1294005633.db2.gz QEQGHCBZNZLLDE-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)cc1[O-])C1CCCCC1 ZINC001195768759 1294019800 /nfs/dbraw/zinc/01/98/00/1294019800.db2.gz QHOAUXXFHBGYNO-OAHLLOKOSA-N -1 0 330.384 2.506 20 30 EFEDRM Cc1ccc(Br)nc1NC(=O)c1ccc(C#N)cc1[O-] ZINC001195741081 1294025740 /nfs/dbraw/zinc/02/57/40/1294025740.db2.gz NXUNUSPOLAXOSP-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)c([O-])c1 ZINC001195751822 1294029198 /nfs/dbraw/zinc/02/91/98/1294029198.db2.gz YEYXFYSQFLNIIR-UHFFFAOYSA-N -1 0 346.390 2.708 20 30 EFEDRM N#Cc1ccc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c([O-])c1 ZINC001195749795 1294029414 /nfs/dbraw/zinc/02/94/14/1294029414.db2.gz APJVCLDLPUSXHH-UHFFFAOYSA-N -1 0 332.363 2.830 20 30 EFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195803359 1294042785 /nfs/dbraw/zinc/04/27/85/1294042785.db2.gz ZJAGRHIFRVRJKY-UHFFFAOYSA-N -1 0 333.365 2.536 20 30 EFEDRM COC(=O)c1cccc(NC(=S)Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001195844789 1294058809 /nfs/dbraw/zinc/05/88/09/1294058809.db2.gz RUMXJJHZJIFJKU-UHFFFAOYSA-N -1 0 345.355 2.998 20 30 EFEDRM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1F ZINC001196250512 1294171856 /nfs/dbraw/zinc/17/18/56/1294171856.db2.gz FBAKZZSBXZOBFV-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM CN(C)C(=O)c1cccc(NC(=S)Nc2ccccc2C#N)c1[O-] ZINC001196327002 1294198816 /nfs/dbraw/zinc/19/88/16/1294198816.db2.gz OFZSVRCEVDYUKC-UHFFFAOYSA-N -1 0 340.408 2.775 20 30 EFEDRM C=CC(C)(C)CC(=O)OCC(=O)c1ccc(OC)c2c([O-])coc21 ZINC000884648625 1294201623 /nfs/dbraw/zinc/20/16/23/1294201623.db2.gz DDTNDLUYOXHGRY-UHFFFAOYSA-N -1 0 332.352 2.599 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC001196679967 1294313968 /nfs/dbraw/zinc/31/39/68/1294313968.db2.gz SCMCUPSWSQVKOQ-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)o1 ZINC001196639772 1294314109 /nfs/dbraw/zinc/31/41/09/1294314109.db2.gz QQCZOTWJGQTOKG-UHFFFAOYSA-N -1 0 326.765 2.519 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC001196639499 1294314521 /nfs/dbraw/zinc/31/45/21/1294314521.db2.gz DPBFLQFFPPKRKE-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cn1ncc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)cc21 ZINC001196639561 1294314539 /nfs/dbraw/zinc/31/45/39/1294314539.db2.gz HILDNOJQZDREPX-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)oc2c1 ZINC001196679566 1294314720 /nfs/dbraw/zinc/31/47/20/1294314720.db2.gz BUEOXAFSOJNASQ-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM CCOc1ccncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196647571 1294317780 /nfs/dbraw/zinc/31/77/80/1294317780.db2.gz IKCSBLSSLIWPTQ-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cl)cc1O ZINC001196648529 1294318009 /nfs/dbraw/zinc/31/80/09/1294318009.db2.gz WKJFYTRRRCJZLX-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(F)ccc1F ZINC001196650650 1294319240 /nfs/dbraw/zinc/31/92/40/1294319240.db2.gz ULGVQKVUBONIFX-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCOc1cncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196650197 1294319275 /nfs/dbraw/zinc/31/92/75/1294319275.db2.gz INJZPODUZOVELT-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC001196651791 1294320247 /nfs/dbraw/zinc/32/02/47/1294320247.db2.gz KMXQXXHTNGKGHE-UHFFFAOYSA-N -1 0 332.719 2.604 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(C)cn1 ZINC001196652057 1294320925 /nfs/dbraw/zinc/32/09/25/1294320925.db2.gz RGIKOGIKAXNJGC-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cn1cc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)ccc2n1 ZINC001196676619 1294329953 /nfs/dbraw/zinc/32/99/53/1294329953.db2.gz SRUJSGYORUBBID-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1cc(CO)cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196691040 1294346378 /nfs/dbraw/zinc/34/63/78/1294346378.db2.gz ZRIVFAISYAYRGT-UHFFFAOYSA-N -1 0 336.800 2.813 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c[nH]cc2C2CC2)n1 ZINC000885176508 1294347886 /nfs/dbraw/zinc/34/78/86/1294347886.db2.gz RLHSCCWFSUDTFD-NSHDSACASA-N -1 0 329.381 2.690 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N(O)C(=N)c3ccccc3N)no2)c1 ZINC001196768859 1294358768 /nfs/dbraw/zinc/35/87/68/1294358768.db2.gz VGCIJVGZEJRYLG-UHFFFAOYSA-N -1 0 347.334 2.652 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nccc(C(C)(C)C)n1 ZINC000903691252 1313074082 /nfs/dbraw/zinc/07/40/82/1313074082.db2.gz MYFMDMKCFFXLAQ-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2nccc(C(C)(C)C)n2)c1C#N ZINC000903691193 1313074406 /nfs/dbraw/zinc/07/44/06/1313074406.db2.gz KQIPOXYDXBQQSL-UHFFFAOYSA-N -1 0 330.413 2.755 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1csc(C#N)c1 ZINC001197010587 1294436541 /nfs/dbraw/zinc/43/65/41/1294436541.db2.gz VVUOOSAEOQWUGT-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC001197031910 1294445439 /nfs/dbraw/zinc/44/54/39/1294445439.db2.gz VFBBNXHLPDKPHX-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2)c([O-])cc1F ZINC001197070700 1294452720 /nfs/dbraw/zinc/45/27/20/1294452720.db2.gz FGXKSQMUNYWPBL-UHFFFAOYSA-N -1 0 340.289 2.980 20 30 EFEDRM COc1cccc(CS(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)c1 ZINC001197389946 1294525745 /nfs/dbraw/zinc/52/57/45/1294525745.db2.gz QHLHXDFMHUVAGZ-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COc1cccc(CS(=O)(=O)Nc2cc(F)c(C#N)c(F)c2)c1 ZINC001197389729 1294526199 /nfs/dbraw/zinc/52/61/99/1294526199.db2.gz GNTZZIZAKNREGP-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)Cc2cccnc2)cccc1C(F)(F)F ZINC001197458035 1294570626 /nfs/dbraw/zinc/57/06/26/1294570626.db2.gz OAIWJQOXCQETKO-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2[O-])nn1-c1ccccn1 ZINC001197521712 1294580251 /nfs/dbraw/zinc/58/02/51/1294580251.db2.gz VTNKZMOVBNKFIX-UHFFFAOYSA-N -1 0 337.314 2.544 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cn1 ZINC001197494445 1294589334 /nfs/dbraw/zinc/58/93/34/1294589334.db2.gz GPRVATGSQJQBOB-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM Cn1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c(C#N)n1 ZINC001197504138 1294592844 /nfs/dbraw/zinc/59/28/44/1294592844.db2.gz BOSJQFKWRKUEBK-UHFFFAOYSA-N -1 0 345.211 2.540 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C#N ZINC001197637188 1294657844 /nfs/dbraw/zinc/65/78/44/1294657844.db2.gz YXFHJMCQYNAVOX-UHFFFAOYSA-N -1 0 329.740 2.589 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136639464 1294680112 /nfs/dbraw/zinc/68/01/12/1294680112.db2.gz DGXOFVUOKMGDAE-QGZVFWFLSA-N -1 0 347.374 2.540 20 30 EFEDRM N#Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001197714397 1294687610 /nfs/dbraw/zinc/68/76/10/1294687610.db2.gz BFIKHQJMRKFVLG-UHFFFAOYSA-N -1 0 333.394 2.614 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136880568 1294690723 /nfs/dbraw/zinc/69/07/23/1294690723.db2.gz PFBSPGXOFVCDRG-GFCCVEGCSA-N -1 0 340.408 2.586 20 30 EFEDRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2C#N)c1 ZINC001198009168 1294827480 /nfs/dbraw/zinc/82/74/80/1294827480.db2.gz IABVROISMTXXEL-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1cccc(Cl)n1)CCC2 ZINC001198196223 1294935407 /nfs/dbraw/zinc/93/54/07/1294935407.db2.gz FCAMVLPCJIXSCL-UHFFFAOYSA-N -1 0 339.829 2.958 20 30 EFEDRM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc(Cl)n2)c1F ZINC001198238232 1294950809 /nfs/dbraw/zinc/95/08/09/1294950809.db2.gz RLGQASNGYXYOQP-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM O=C([N-][C@H](CO)c1ccccc1C(F)(F)F)C(F)(F)C(F)F ZINC000886563000 1295021516 /nfs/dbraw/zinc/02/15/16/1295021516.db2.gz KQARWYPBUAQONW-MRVPVSSYSA-N -1 0 333.203 2.755 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2C#N)n1C ZINC001198392640 1295048096 /nfs/dbraw/zinc/04/80/96/1295048096.db2.gz WXKPYWCDBVLVFD-UHFFFAOYSA-N -1 0 345.211 2.708 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)n1C ZINC001198398842 1295051977 /nfs/dbraw/zinc/05/19/77/1295051977.db2.gz PYBHQVWFPLQPJF-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1sc(C)cc1C#N ZINC001198659821 1295175604 /nfs/dbraw/zinc/17/56/04/1295175604.db2.gz NKYGCPUAYUQIHN-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC001198693627 1295180990 /nfs/dbraw/zinc/18/09/90/1295180990.db2.gz SOQQMJDDQWWMIR-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21 ZINC001234516446 1313143597 /nfs/dbraw/zinc/14/35/97/1313143597.db2.gz UPQJXUMMEGYSTN-HNNXBMFYSA-N -1 0 347.374 2.643 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c(C)c1 ZINC001198913820 1295326232 /nfs/dbraw/zinc/32/62/32/1295326232.db2.gz DGMNAWWRFLGKCH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C#N)c(C)c1 ZINC001198940631 1295345239 /nfs/dbraw/zinc/34/52/39/1295345239.db2.gz WQGNMKZCRBUXTB-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM C=CCN1CC[C@@]2(CCCN2Cc2cc(Cl)c([O-])cc2F)C1=O ZINC001274117786 1295474475 /nfs/dbraw/zinc/47/44/75/1295474475.db2.gz RFDFQGYROKHPDR-KRWDZBQOSA-N -1 0 338.810 2.938 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203321441 1295536645 /nfs/dbraw/zinc/53/66/45/1295536645.db2.gz CVUMPOBLRGAGKW-UHFFFAOYSA-N -1 0 348.309 2.826 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)c(O)c1)CC2 ZINC001274182938 1295549865 /nfs/dbraw/zinc/54/98/65/1295549865.db2.gz XLYIQXUZNYTUOG-AWEZNQCLSA-N -1 0 334.847 2.950 20 30 EFEDRM N#Cc1ccc(C([O-])=CS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001412935556 1295878486 /nfs/dbraw/zinc/87/84/86/1295878486.db2.gz XWLCRXYQEQKTID-UHFFFAOYSA-N -1 0 325.798 2.930 20 30 EFEDRM CC(C)OC(=O)C[C@@H](Oc1ccccc1C=N[O-])C(=O)OC(C)C ZINC001234821576 1313194472 /nfs/dbraw/zinc/19/44/72/1313194472.db2.gz HHHMFLCBPTZTJQ-OAHLLOKOSA-N -1 0 337.372 2.535 20 30 EFEDRM N#Cc1cccnc1N1CCC(Oc2nc3sccc3[nH]2)CC1 ZINC001234848481 1313198141 /nfs/dbraw/zinc/19/81/41/1313198141.db2.gz QADULBCZAXYBBF-UHFFFAOYSA-N -1 0 325.397 2.939 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc2cc(F)ccc21 ZINC001234850475 1313198489 /nfs/dbraw/zinc/19/84/89/1313198489.db2.gz TZLCTQDJZULZTG-CQSZACIVSA-N -1 0 340.372 2.817 20 30 EFEDRM C=CC[C@@H](C=C)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894138 1313204663 /nfs/dbraw/zinc/20/46/63/1313204663.db2.gz CGTKNLCWHYOAEC-LLVKDONJSA-N -1 0 327.340 2.540 20 30 EFEDRM O=C([O-])c1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1O ZINC000777422529 1296018441 /nfs/dbraw/zinc/01/84/41/1296018441.db2.gz GUNQKSHVCNYLER-UHFFFAOYSA-N -1 0 340.364 2.520 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc2ccc(F)cc21 ZINC001234964481 1313213207 /nfs/dbraw/zinc/21/32/07/1313213207.db2.gz ZYFVHYRFRFSTNK-CQSZACIVSA-N -1 0 340.372 2.817 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000776093036 1296275813 /nfs/dbraw/zinc/27/58/13/1296275813.db2.gz CIUBHIVYIAOKHA-UHFFFAOYSA-N -1 0 343.420 2.702 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(Nc2ccccc2)c1 ZINC000776115965 1296474029 /nfs/dbraw/zinc/47/40/29/1296474029.db2.gz CBXYNDLWNISYAS-UHFFFAOYSA-N -1 0 343.408 2.794 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C)cc1Cl ZINC000105758125 1296503473 /nfs/dbraw/zinc/50/34/73/1296503473.db2.gz JLGYOGYGPCJEKF-SNVBAGLBSA-N -1 0 333.731 2.606 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000776138268 1296594821 /nfs/dbraw/zinc/59/48/21/1296594821.db2.gz LCRLMRPQGJELOR-UHFFFAOYSA-N -1 0 342.848 2.613 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000776139462 1296616155 /nfs/dbraw/zinc/61/61/55/1296616155.db2.gz RWLOVHJGUHBDFU-ZDUSSCGKSA-N -1 0 344.436 2.939 20 30 EFEDRM C[C@H](Cc1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776143576 1296649715 /nfs/dbraw/zinc/64/97/15/1296649715.db2.gz IGTBWECBOVWNCY-LLVKDONJSA-N -1 0 342.848 2.514 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000776142557 1296650075 /nfs/dbraw/zinc/65/00/75/1296650075.db2.gz GLLYKSBTGPFZAZ-UHFFFAOYSA-N -1 0 342.486 2.847 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1 ZINC000776144954 1296652071 /nfs/dbraw/zinc/65/20/71/1296652071.db2.gz YNAGADCMIQXGNS-UHFFFAOYSA-N -1 0 342.420 2.963 20 30 EFEDRM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000776145070 1296652174 /nfs/dbraw/zinc/65/21/74/1296652174.db2.gz ZFUAMUNQRYZBJK-YRNVUSSQSA-N -1 0 340.832 2.739 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201245841 1296652810 /nfs/dbraw/zinc/65/28/10/1296652810.db2.gz BNRNABJXYQPVNF-UHFFFAOYSA-N -1 0 346.170 2.705 20 30 EFEDRM COC(=O)c1cscc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201293370 1296680890 /nfs/dbraw/zinc/68/08/90/1296680890.db2.gz VZRJLASUMPZBRJ-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)cc1C#N ZINC001201293085 1296700526 /nfs/dbraw/zinc/70/05/26/1296700526.db2.gz PSHMRNNSOHTFOG-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295362 1296708044 /nfs/dbraw/zinc/70/80/44/1296708044.db2.gz PJIBYJCUMFPFMR-UHFFFAOYSA-N -1 0 330.413 2.582 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2C)cc1C#N ZINC001201295403 1296709349 /nfs/dbraw/zinc/70/93/49/1296709349.db2.gz QIMMIIYJOYUCLX-UHFFFAOYSA-N -1 0 330.413 2.669 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cc1C#N ZINC001201294583 1296709380 /nfs/dbraw/zinc/70/93/80/1296709380.db2.gz AKYLOTJOCNRZGM-UHFFFAOYSA-N -1 0 330.413 2.664 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1C#N ZINC001201294962 1296709464 /nfs/dbraw/zinc/70/94/64/1296709464.db2.gz JVBUHBXXJCEWDD-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM COCCOc1cccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201320248 1296725593 /nfs/dbraw/zinc/72/55/93/1296725593.db2.gz UAZKCKVJJQDCKJ-UHFFFAOYSA-N -1 0 346.408 2.693 20 30 EFEDRM COc1ccc(F)c(F)c1NS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201320452 1296726362 /nfs/dbraw/zinc/72/63/62/1296726362.db2.gz ZRGRJGHNDYWPEI-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001201755971 1297054061 /nfs/dbraw/zinc/05/40/61/1297054061.db2.gz IJXHWTVNYFGYER-UHFFFAOYSA-N -1 0 338.801 2.649 20 30 EFEDRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1O ZINC001201764973 1297061392 /nfs/dbraw/zinc/06/13/92/1297061392.db2.gz MOLYGXGLGOTSRI-UHFFFAOYSA-N -1 0 347.780 2.622 20 30 EFEDRM COc1cc(/C=C2\Cc3c(cccc3O)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000036025526 1297350043 /nfs/dbraw/zinc/35/00/43/1297350043.db2.gz SQXGWRURNAWUFT-BJMVGYQFSA-N -1 0 327.292 2.837 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)c(C)n1C(C)C ZINC000042289896 1297697422 /nfs/dbraw/zinc/69/74/22/1297697422.db2.gz OGPLECASGIGSHW-UHFFFAOYSA-N -1 0 339.417 2.984 20 30 EFEDRM O=C(C/N=C/c1cc(Cl)cc(Cl)c1[O-])NCC(F)(F)F ZINC000044012536 1297710448 /nfs/dbraw/zinc/71/04/48/1297710448.db2.gz RLDBJQDBVFZBCG-IJUHEHPCSA-N -1 0 329.105 2.796 20 30 EFEDRM C[C@H](Sc1ccc(Br)cc1)C(=O)[N-]S(C)(=O)=O ZINC000048486745 1297760171 /nfs/dbraw/zinc/76/01/71/1297760171.db2.gz CYDFSGWEZJTHQB-ZETCQYMHSA-N -1 0 338.248 2.846 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc(C(=O)[O-])cc1 ZINC001236057569 1313435590 /nfs/dbraw/zinc/43/55/90/1313435590.db2.gz FSONVEJQKTZGKT-ZDUSSCGKSA-N -1 0 339.351 2.791 20 30 EFEDRM [O-]/N=C/c1cc(-c2cnn(CC3OCCO3)c2)cc(C(F)(F)F)c1 ZINC001236302372 1313467394 /nfs/dbraw/zinc/46/73/94/1313467394.db2.gz XGWPHYQYDQDIFQ-CGOBSMCZSA-N -1 0 341.289 2.750 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000779325747 1298207518 /nfs/dbraw/zinc/20/75/18/1298207518.db2.gz COYBFFKYEHTXTG-CYBMUJFWSA-N -1 0 327.306 2.527 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000191276204 1298250726 /nfs/dbraw/zinc/25/07/26/1298250726.db2.gz VUGOUEKZCZIOJU-UHFFFAOYSA-N -1 0 336.363 2.523 20 30 EFEDRM COC(=O)NCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000107875180 1298338324 /nfs/dbraw/zinc/33/83/24/1298338324.db2.gz JKXZFVWNUCKJLD-CYBMUJFWSA-N -1 0 341.367 2.504 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193351258 1298430381 /nfs/dbraw/zinc/43/03/81/1298430381.db2.gz BVCYJFXJVBSQIL-ZDUSSCGKSA-N -1 0 348.399 2.906 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)C(C)C)cc1 ZINC000193379952 1298432942 /nfs/dbraw/zinc/43/29/42/1298432942.db2.gz YXPPSCDFRRLTSC-MRXNPFEDSA-N -1 0 343.427 2.910 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000193381996 1298433188 /nfs/dbraw/zinc/43/31/88/1298433188.db2.gz JBPNVUKXTDHNRU-CYBMUJFWSA-N -1 0 342.374 2.640 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)s1 ZINC000193753576 1298486138 /nfs/dbraw/zinc/48/61/38/1298486138.db2.gz LBMLDQVCIRFXSF-OAHLLOKOSA-N -1 0 342.420 2.958 20 30 EFEDRM C#CCCOc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000903988490 1313544118 /nfs/dbraw/zinc/54/41/18/1313544118.db2.gz CVECALQBCIYFHG-UHFFFAOYSA-N -1 0 330.409 2.842 20 30 EFEDRM N#CC(=C([O-])c1sccc1S(=O)(=O)C(F)F)c1ccccn1 ZINC000108624477 1298758707 /nfs/dbraw/zinc/75/87/07/1298758707.db2.gz OCAUIUDKZIOYIX-MRVPVSSYSA-N -1 0 342.348 2.629 20 30 EFEDRM COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000086068024 1299261448 /nfs/dbraw/zinc/26/14/48/1299261448.db2.gz JZPDCFNVQPQACV-UHFFFAOYSA-N -1 0 341.335 2.975 20 30 EFEDRM O=S(=O)([N-]Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC001252367623 1299360937 /nfs/dbraw/zinc/36/09/37/1299360937.db2.gz JNAZHFYRZVAZOP-UHFFFAOYSA-N -1 0 325.205 2.784 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000110121771 1299367477 /nfs/dbraw/zinc/36/74/77/1299367477.db2.gz OFXUMKSFOIHVIC-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM CC[C@@H](NN=Cc1c(Br)c2ccccc2n1C)C(=O)[O-] ZINC000853348835 1300093330 /nfs/dbraw/zinc/09/33/30/1300093330.db2.gz NUIZOFIJUULXDL-SNVBAGLBSA-N -1 0 338.205 2.728 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2F)c1 ZINC000088800697 1300632505 /nfs/dbraw/zinc/63/25/05/1300632505.db2.gz JYJXJACIIJYYAX-UHFFFAOYSA-N -1 0 336.319 2.724 20 30 EFEDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000088809173 1300641021 /nfs/dbraw/zinc/64/10/21/1300641021.db2.gz VKPJGOCNJRLUPN-CQSZACIVSA-N -1 0 338.429 2.600 20 30 EFEDRM C=CCC[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)OCC ZINC000854851088 1300712264 /nfs/dbraw/zinc/71/22/64/1300712264.db2.gz NGOJRURFBAYYRC-NSHDSACASA-N -1 0 334.397 2.744 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1F ZINC000089490483 1300818713 /nfs/dbraw/zinc/81/87/13/1300818713.db2.gz QXZQJMIUGIWUKD-UHFFFAOYSA-N -1 0 325.365 2.605 20 30 EFEDRM COc1cc(C)sc1C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000089490590 1300821628 /nfs/dbraw/zinc/82/16/28/1300821628.db2.gz YKRNYYGNAMUQJT-UHFFFAOYSA-N -1 0 343.430 2.536 20 30 EFEDRM N#Cc1sccc1N1CCN(C(=O)c2c(O)cccc2Cl)CC1 ZINC000855336168 1300917771 /nfs/dbraw/zinc/91/77/71/1300917771.db2.gz KCJQUCRPKLJNIR-UHFFFAOYSA-N -1 0 347.827 2.941 20 30 EFEDRM C=CCCNC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c1 ZINC000855381644 1300935610 /nfs/dbraw/zinc/93/56/10/1300935610.db2.gz ATPHOWHGDHYXGX-UHFFFAOYSA-N -1 0 336.335 2.562 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089970886 1300962530 /nfs/dbraw/zinc/96/25/30/1300962530.db2.gz HCCVINAEWGEUEP-SNVBAGLBSA-N -1 0 332.447 2.818 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)N1CCc2ccccc2C1 ZINC000089982089 1300962870 /nfs/dbraw/zinc/96/28/70/1300962870.db2.gz FCDBCFDLPWQRIE-ZDUSSCGKSA-N -1 0 336.457 2.662 20 30 EFEDRM N#Cc1ccnc(N2CCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)c1 ZINC001237998781 1313743279 /nfs/dbraw/zinc/74/32/79/1313743279.db2.gz WWBSLOGIMCFOKR-UHFFFAOYSA-N -1 0 346.793 2.774 20 30 EFEDRM C=CCC1(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CCCC1 ZINC000855927169 1301176433 /nfs/dbraw/zinc/17/64/33/1301176433.db2.gz FFGJVUWOCCHNRY-UHFFFAOYSA-N -1 0 343.452 2.841 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000856030871 1301210753 /nfs/dbraw/zinc/21/07/53/1301210753.db2.gz UMPZAKXROVXRJA-LLVKDONJSA-N -1 0 343.210 2.970 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000856032611 1301212223 /nfs/dbraw/zinc/21/22/23/1301212223.db2.gz NWLBMTQCGPMUTR-CYBMUJFWSA-N -1 0 332.429 2.592 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2scnc2C)n1 ZINC000777098262 1301411834 /nfs/dbraw/zinc/41/18/34/1301411834.db2.gz DMQYWYIOSRQQPI-DLRQAJBASA-N -1 0 347.421 2.649 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2scnc2C)n1 ZINC000777098261 1301412427 /nfs/dbraw/zinc/41/24/27/1301412427.db2.gz DMQYWYIOSRQQPI-BYCRGOAPSA-N -1 0 347.421 2.649 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)c2ccco2)n1 ZINC000859818322 1301588141 /nfs/dbraw/zinc/58/81/41/1301588141.db2.gz OQPDRAREINSLCU-ZYHUDNBSSA-N -1 0 332.381 2.958 20 30 EFEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1cccc(Cl)c1 ZINC000860753532 1301906334 /nfs/dbraw/zinc/90/63/34/1301906334.db2.gz ZMCGRMKOMRKGEK-CYBMUJFWSA-N -1 0 328.821 2.583 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCC2CCCC2)c(F)c1 ZINC000861013148 1301991092 /nfs/dbraw/zinc/99/10/92/1301991092.db2.gz SFPJGGXNNQASSN-UHFFFAOYSA-N -1 0 338.404 2.614 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862132218 1302292875 /nfs/dbraw/zinc/29/28/75/1302292875.db2.gz BBJAWHULVQAHNF-DZGCQCFKSA-N -1 0 334.416 2.950 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862217380 1302310342 /nfs/dbraw/zinc/31/03/42/1302310342.db2.gz CBUHYJZMXTYESU-HNNXBMFYSA-N -1 0 334.416 2.951 20 30 EFEDRM COCc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000796788309 1302450410 /nfs/dbraw/zinc/45/04/10/1302450410.db2.gz IZFMVYWAJUIFLT-LBPRGKRZSA-N -1 0 329.381 2.559 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C3CC3)C3CC3)cc2[n-]c1=S ZINC000862853310 1302480826 /nfs/dbraw/zinc/48/08/26/1302480826.db2.gz GKGBXGCXQAWUGR-UHFFFAOYSA-N -1 0 341.436 2.638 20 30 EFEDRM O=C([O-])Cc1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc1 ZINC000863180646 1302550047 /nfs/dbraw/zinc/55/00/47/1302550047.db2.gz RHIWOTSXFUEMOW-NTEUORMPSA-N -1 0 330.409 2.816 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)cc1 ZINC000796723715 1302728595 /nfs/dbraw/zinc/72/85/95/1302728595.db2.gz OCBFIOXVBROSPM-BHYGNILZSA-N -1 0 346.452 2.970 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000091125776 1303027773 /nfs/dbraw/zinc/02/77/73/1303027773.db2.gz OPGSCMFRFDTSIM-UHFFFAOYSA-N -1 0 335.356 2.844 20 30 EFEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125599 1303027780 /nfs/dbraw/zinc/02/77/80/1303027780.db2.gz WEUWLTIYFVSZBK-VMPITWQZSA-N -1 0 333.365 2.963 20 30 EFEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccccc2-n2ccnn2)c1 ZINC000794732165 1303033704 /nfs/dbraw/zinc/03/37/04/1303033704.db2.gz OSEVQPBMLJTFCR-HJWRWDBZSA-N -1 0 349.346 2.627 20 30 EFEDRM CCCn1cc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)nn1 ZINC000865215878 1303190739 /nfs/dbraw/zinc/19/07/39/1303190739.db2.gz ZXGSXONCWNSHEU-YFHOEESVSA-N -1 0 343.383 2.828 20 30 EFEDRM O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1ccc([O-])c(Cl)c1 ZINC000865224484 1303194858 /nfs/dbraw/zinc/19/48/58/1303194858.db2.gz RRBVLRMIMQLEHY-RYWCDNDXSA-N -1 0 333.775 2.712 20 30 EFEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccc([O-])c(Cl)c1 ZINC000865224479 1303194944 /nfs/dbraw/zinc/19/49/44/1303194944.db2.gz RRBVLRMIMQLEHY-AGLBCWCQSA-N -1 0 333.775 2.712 20 30 EFEDRM C#Cc1cccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000120551411 1303245438 /nfs/dbraw/zinc/24/54/38/1303245438.db2.gz ZYBREELZZBLESE-UHFFFAOYSA-N -1 0 338.392 2.630 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2n[nH]c(C3CC3)c2Br)c1 ZINC000748410443 1313912614 /nfs/dbraw/zinc/91/26/14/1313912614.db2.gz MIVSPBDURRUXPE-UHFFFAOYSA-N -1 0 347.172 2.879 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1 ZINC001239244969 1313919130 /nfs/dbraw/zinc/91/91/30/1313919130.db2.gz GDLJZQMIDWLFES-SRZZPIQSSA-N -1 0 326.331 2.917 20 30 EFEDRM N#Cc1ccc(/C=C/c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1 ZINC001239303301 1313923786 /nfs/dbraw/zinc/92/37/86/1313923786.db2.gz OTHVXPJZOHLQOE-CMDGGOBGSA-N -1 0 325.349 2.552 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCCCOc2ccccc2)cc1)C(=O)[O-] ZINC000794908937 1303594725 /nfs/dbraw/zinc/59/47/25/1303594725.db2.gz LLXZLFIXFXQCAM-OAHLLOKOSA-N -1 0 342.395 2.931 20 30 EFEDRM CCOC(=O)c1scnc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000794936366 1303717231 /nfs/dbraw/zinc/71/72/31/1303717231.db2.gz ACBFQBCLGMXFGS-ARJAWSKDSA-N -1 0 337.378 2.976 20 30 EFEDRM O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1[O-] ZINC000794940980 1303744340 /nfs/dbraw/zinc/74/43/40/1303744340.db2.gz HIJOEMGUPXSZKE-HNQUOIGGSA-N -1 0 331.274 2.897 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc2cc(Br)ccc2c1 ZINC000122566672 1304768103 /nfs/dbraw/zinc/76/81/03/1304768103.db2.gz PFZLFRSWFKKMBF-ZDUSSCGKSA-N -1 0 331.169 2.671 20 30 EFEDRM Cc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2)cc1 ZINC000122609765 1304812048 /nfs/dbraw/zinc/81/20/48/1304812048.db2.gz NCLUJKYYXKKVBN-QGZVFWFLSA-N -1 0 344.374 2.996 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122695485 1304898217 /nfs/dbraw/zinc/89/82/17/1304898217.db2.gz FLTUFZRTZUGLHP-DGCLKSJQSA-N -1 0 345.786 2.741 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(SC(F)(F)F)o1 ZINC000870133401 1305159050 /nfs/dbraw/zinc/15/90/50/1305159050.db2.gz WQTWTXITBMXYBD-QMMMGPOBSA-N -1 0 332.303 2.836 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc([C@@H]2CCOC2)nc1C ZINC000870135222 1305161047 /nfs/dbraw/zinc/16/10/47/1305161047.db2.gz UBEZRDKBXWSHGW-CHWSQXEVSA-N -1 0 349.456 2.584 20 30 EFEDRM COCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000870138590 1305162446 /nfs/dbraw/zinc/16/24/46/1305162446.db2.gz MYTJQHCZWQEQLQ-HNNXBMFYSA-N -1 0 332.375 2.743 20 30 EFEDRM CCCOc1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123027454 1305225788 /nfs/dbraw/zinc/22/57/88/1305225788.db2.gz BUYRQQAPJLYPAW-INIZCTEOSA-N -1 0 339.395 2.733 20 30 EFEDRM C/C(=C/C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000870296663 1305247486 /nfs/dbraw/zinc/24/74/86/1305247486.db2.gz DAWGSWYLDUPYLW-UVTDQMKNSA-N -1 0 338.473 2.899 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000123098163 1305295392 /nfs/dbraw/zinc/29/53/92/1305295392.db2.gz WQLUYUIQXHMGLC-OAHLLOKOSA-N -1 0 325.368 2.804 20 30 EFEDRM C[C@@H](CSc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123113490 1305300080 /nfs/dbraw/zinc/30/00/80/1305300080.db2.gz KIUDBKTYAFGCIG-FZMZJTMJSA-N -1 0 345.399 2.879 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cccc(/C=C/C(=O)[O-])c1 ZINC001240547627 1314046517 /nfs/dbraw/zinc/04/65/17/1314046517.db2.gz TYJYMQLFCDPYIS-ZNGVPYHYSA-N -1 0 342.351 2.946 20 30 EFEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000870640861 1305463275 /nfs/dbraw/zinc/46/32/75/1305463275.db2.gz HGQQHUHKYYZELU-UHFFFAOYSA-N -1 0 337.445 2.572 20 30 EFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)c3nccn3C)cs2)o1 ZINC000123318977 1305570024 /nfs/dbraw/zinc/57/00/24/1305570024.db2.gz PAWRHOIBMFLLDP-JTQLQIEISA-N -1 0 340.364 2.650 20 30 EFEDRM COc1cc(-c2cc(C#N)cc(OC)c2OC(C)=O)ccc1C(=O)[O-] ZINC001240742956 1314065190 /nfs/dbraw/zinc/06/51/90/1314065190.db2.gz OXGRHIAPXVSLNL-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM C[C@@H](CCc1cccc(F)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123357221 1305624246 /nfs/dbraw/zinc/62/42/46/1305624246.db2.gz INXDJOFTVXVNPQ-SWLSCSKDSA-N -1 0 327.359 2.720 20 30 EFEDRM C[C@H](CCc1cccc(F)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123357450 1305624319 /nfs/dbraw/zinc/62/43/19/1305624319.db2.gz INXDJOFTVXVNPQ-IUODEOHRSA-N -1 0 327.359 2.720 20 30 EFEDRM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc(C(=O)[O-])s1 ZINC001240846031 1314076798 /nfs/dbraw/zinc/07/67/98/1314076798.db2.gz POSAOONAAFQZRN-SECBINFHSA-N -1 0 345.380 2.852 20 30 EFEDRM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1 ZINC001241243924 1314104259 /nfs/dbraw/zinc/10/42/59/1314104259.db2.gz TWOIBGIQDZJOFH-SRZZPIQSSA-N -1 0 326.331 2.917 20 30 EFEDRM COc1cc(C(F)(F)F)c(C#N)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001241442613 1314119065 /nfs/dbraw/zinc/11/90/65/1314119065.db2.gz ONULTASKHSWAHP-UHFFFAOYSA-N -1 0 346.272 2.828 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241812143 1314152712 /nfs/dbraw/zinc/15/27/12/1314152712.db2.gz DGPVFXURPCKROR-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COc1ccc(-c2cc(C#N)cc(OC)c2OC(C)=O)cc1C(=O)[O-] ZINC001241868568 1314157754 /nfs/dbraw/zinc/15/77/54/1314157754.db2.gz HCVPWRKMXNDYNX-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](F)CC2CCCCC2)c1 ZINC000796625856 1306962120 /nfs/dbraw/zinc/96/21/20/1306962120.db2.gz MGSNSGFEYFYXQY-OAHLLOKOSA-N -1 0 338.404 2.672 20 30 EFEDRM C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260875235 1316375038 /nfs/dbraw/zinc/37/50/38/1316375038.db2.gz PPBCCOPJLNLGLD-LBPRGKRZSA-N -1 0 335.212 2.623 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cccc(C(=O)[O-])c1F ZINC001242377357 1314201879 /nfs/dbraw/zinc/20/18/79/1314201879.db2.gz YLGKPTRWCWUKKV-UFWORHAWSA-N -1 0 334.303 2.685 20 30 EFEDRM CCOC(=O)c1cnc(-c2ccc([O-])c(C#N)c2)nc1C(F)(F)F ZINC001242562209 1314216251 /nfs/dbraw/zinc/21/62/51/1314216251.db2.gz LTPOCCYKXBYTKL-UHFFFAOYSA-N -1 0 337.257 2.916 20 30 EFEDRM C=CCN(C(=O)Nc1ccnn1CC)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000900325015 1307974788 /nfs/dbraw/zinc/97/47/88/1307974788.db2.gz DXMWMQWLNXNVOO-HNNXBMFYSA-N -1 0 342.399 2.619 20 30 EFEDRM C=CCC[C@H](NC(=O)Nc1ccc(OCCOC)cc1C)C(=O)[O-] ZINC000900331774 1307990958 /nfs/dbraw/zinc/99/09/58/1307990958.db2.gz QZVOCAYLKZOQIF-HNNXBMFYSA-N -1 0 336.388 2.561 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(SC)ccc1Cl)C(=O)[O-] ZINC000900348644 1308028330 /nfs/dbraw/zinc/02/83/30/1308028330.db2.gz CDLAZACNNCUVIK-LBPRGKRZSA-N -1 0 344.820 2.839 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1C1=CC(=O)C[C@H](C)C1 ZINC001242743090 1314230015 /nfs/dbraw/zinc/23/00/15/1314230015.db2.gz JOMSDSOWRCGHEB-SNVBAGLBSA-N -1 0 333.413 2.907 20 30 EFEDRM C[C@H]1CC(=O)C=C(c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C1 ZINC001242738729 1314230058 /nfs/dbraw/zinc/23/00/58/1314230058.db2.gz YGBSKEGKQATCFA-GFCCVEGCSA-N -1 0 343.408 2.660 20 30 EFEDRM Cn1cnc(/C=C/C(=O)c2cc(Br)cc(F)c2[O-])c1 ZINC000800794693 1308433643 /nfs/dbraw/zinc/43/36/43/1308433643.db2.gz NPKYVCHOHTZSOM-NSCUHMNNSA-N -1 0 325.137 2.923 20 30 EFEDRM CCS(=O)(=O)[N-]C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000749039329 1314251085 /nfs/dbraw/zinc/25/10/85/1314251085.db2.gz SDSONHCEGCOIHS-UHFFFAOYSA-N -1 0 346.433 2.789 20 30 EFEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cnn(CC#N)c1 ZINC000800835516 1308516357 /nfs/dbraw/zinc/51/63/57/1308516357.db2.gz KDNNHZWSJLANBV-UHFFFAOYSA-N -1 0 344.318 2.535 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(C(=O)[O-])c(C)c1 ZINC001243212192 1314270314 /nfs/dbraw/zinc/27/03/14/1314270314.db2.gz MPPMHTIVKCWDJF-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM CC#CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000801177745 1309334882 /nfs/dbraw/zinc/33/48/82/1309334882.db2.gz FQTJCIXAKPYQEP-LBPRGKRZSA-N -1 0 348.449 2.749 20 30 EFEDRM CN1CCN(N=Cc2ccc(-c3ccc(C(=O)[O-])cc3)s2)CC1 ZINC000901122389 1309525088 /nfs/dbraw/zinc/52/50/88/1309525088.db2.gz BMROBPHCFIXLBX-UHFFFAOYSA-N -1 0 329.425 2.695 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc2c(c1)CCCO2 ZINC000901133913 1309570437 /nfs/dbraw/zinc/57/04/37/1309570437.db2.gz PTGOITZXZZOHDT-UHFFFAOYSA-N -1 0 328.319 2.793 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C#N)cc2C)cc1 ZINC001210376730 1314322767 /nfs/dbraw/zinc/32/27/67/1314322767.db2.gz FXFQEVSSPQMMDK-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM CC[C@@]1(C)NC(=O)N(N=Cc2csc3ccc(C(=O)[O-])cc23)C1=O ZINC000901144793 1309602234 /nfs/dbraw/zinc/60/22/34/1309602234.db2.gz WFNMHLLGIFGWLQ-MRXNPFEDSA-N -1 0 345.380 2.654 20 30 EFEDRM Cc1cc(C#N)cc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c1 ZINC001210392155 1314325483 /nfs/dbraw/zinc/32/54/83/1314325483.db2.gz CIADKLLSNPJOJP-UHFFFAOYSA-N -1 0 331.353 2.582 20 30 EFEDRM Cc1cnc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)c(/C=N/O)c1 ZINC001244028163 1314344465 /nfs/dbraw/zinc/34/44/65/1314344465.db2.gz APOOYXZZXXSOEO-VXLYETTFSA-N -1 0 327.340 2.668 20 30 EFEDRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(N)c(C#N)c1 ZINC001244116927 1314353296 /nfs/dbraw/zinc/35/32/96/1314353296.db2.gz VUIKDSJKDPITTF-UHFFFAOYSA-N -1 0 341.396 2.645 20 30 EFEDRM C#CCCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801386977 1310061117 /nfs/dbraw/zinc/06/11/17/1310061117.db2.gz LPOIWJCACZCRGC-UHFFFAOYSA-N -1 0 349.730 2.710 20 30 EFEDRM C=CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801386976 1310061346 /nfs/dbraw/zinc/06/13/46/1310061346.db2.gz QJCGXGCJQLGERI-UHFFFAOYSA-N -1 0 337.719 2.872 20 30 EFEDRM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000901304068 1310094798 /nfs/dbraw/zinc/09/47/98/1310094798.db2.gz RFRHAECRQRFWIE-OBJOEFQTSA-N -1 0 334.416 2.808 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN[C@@H]1CCCC[C@H]1O ZINC000901335223 1310171063 /nfs/dbraw/zinc/17/10/63/1310171063.db2.gz XMOYUNHXAAHGCI-QZTJIDSGSA-N -1 0 348.443 2.742 20 30 EFEDRM C=CCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2OCC)nc1 ZINC001244418260 1314378701 /nfs/dbraw/zinc/37/87/01/1314378701.db2.gz MOALAWLAKUYRDU-UHFFFAOYSA-N -1 0 326.352 2.761 20 30 EFEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1c(C(=O)[O-])cnn1C)CO2 ZINC000901463446 1310523407 /nfs/dbraw/zinc/52/34/07/1310523407.db2.gz YJAXBMVRTGIYPW-YRNVUSSQSA-N -1 0 342.351 2.566 20 30 EFEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2cc3n(n2)CCCC3)c1)C(=O)[O-] ZINC000901561255 1310669384 /nfs/dbraw/zinc/66/93/84/1310669384.db2.gz NVBOYRHWEOXDBM-MMQHEFTJSA-N -1 0 340.379 2.967 20 30 EFEDRM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1cnc(F)c(C(=O)[O-])c1 ZINC001244752638 1314408199 /nfs/dbraw/zinc/40/81/99/1314408199.db2.gz MWYBFYSDILFHHV-UHFFFAOYSA-N -1 0 342.330 2.837 20 30 EFEDRM CCn1cc(-c2cc(C(=O)[O-])cnc2F)c2sc(C#N)cc2c1=O ZINC001244763678 1314410129 /nfs/dbraw/zinc/41/01/29/1314410129.db2.gz NAGOTQQUZBJGCB-UHFFFAOYSA-N -1 0 343.339 2.854 20 30 EFEDRM CCN(c1ccc(C)cc1C(=O)[O-])S(=O)(=O)CCC(C)(C)C#N ZINC000901702468 1310907088 /nfs/dbraw/zinc/90/70/88/1310907088.db2.gz CGQVHYASTBNAKG-UHFFFAOYSA-N -1 0 338.429 2.789 20 30 EFEDRM COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)ccc1OCC(=O)[O-] ZINC000749747452 1311040191 /nfs/dbraw/zinc/04/01/91/1311040191.db2.gz ZDXCVEFQSANRIJ-FRKPEAEDSA-N -1 0 344.294 2.914 20 30 EFEDRM C=CCOC[C@@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000901810074 1311055171 /nfs/dbraw/zinc/05/51/71/1311055171.db2.gz WDMZRWWJTAVPFD-OAHLLOKOSA-N -1 0 348.424 2.564 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cnc3n2CCCC3)ccc1Cl ZINC000901839736 1311095994 /nfs/dbraw/zinc/09/59/94/1311095994.db2.gz UDYSTZHTTJGBNH-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM [O-]c1c(Br)cccc1C=Nn1cc(Br)cn1 ZINC000752746879 1311157218 /nfs/dbraw/zinc/15/72/18/1311157218.db2.gz MJKSWXDNGVMENG-UHFFFAOYSA-N -1 0 344.994 2.996 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)co1 ZINC000802040792 1311256826 /nfs/dbraw/zinc/25/68/26/1311256826.db2.gz KXGJQDIZCFPMGB-LBPRGKRZSA-N -1 0 341.367 2.987 20 30 EFEDRM CC1(C)OC[C@H]2OC=C[C@@H](O/C(=N\O)c3ccc(Cl)cc3)[C@@H]2O1 ZINC001223593287 1311280168 /nfs/dbraw/zinc/28/01/68/1311280168.db2.gz JAVNPYRGOPVTIY-RQCPOKANSA-N -1 0 339.775 2.925 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccc2c1CCCC2 ZINC001223786179 1311303337 /nfs/dbraw/zinc/30/33/37/1311303337.db2.gz VYUICAISKWANJY-INIZCTEOSA-N -1 0 340.441 2.541 20 30 EFEDRM COc1ccc(OC)c(/C(=N/[O-])OC[C@H]2COc3ccccc3O2)c1 ZINC001223892571 1311316562 /nfs/dbraw/zinc/31/65/62/1311316562.db2.gz JUNXVHQPAHHYJR-LTFJSZEESA-N -1 0 345.351 2.696 20 30 EFEDRM CCOC(=O)[C@@H]1CC[C@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891281 1311316668 /nfs/dbraw/zinc/31/66/68/1311316668.db2.gz HDWMQKHPHLEHHP-PWTBMBKCSA-N -1 0 337.372 2.588 20 30 EFEDRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000783126870 1311370432 /nfs/dbraw/zinc/37/04/32/1311370432.db2.gz KCHRSZKBBCGJCZ-HDJSIYSDSA-N -1 0 326.462 2.733 20 30 EFEDRM O=S(=O)([O-])CCO[C@@H](/C(=N\O)c1ccccc1)c1ccccc1 ZINC001224569573 1311408583 /nfs/dbraw/zinc/40/85/83/1311408583.db2.gz VPVIJAWHWGJULJ-CFBLSMTOSA-N -1 0 335.381 2.511 20 30 EFEDRM O=[P@@]([O-])(O)CCO[C@@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224601274 1311412797 /nfs/dbraw/zinc/41/27/97/1311412797.db2.gz FPJSOJJCQGBGJE-GOSISDBHSA-N -1 0 328.304 2.878 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1ccnc(Cl)c1 ZINC001158967326 1311426801 /nfs/dbraw/zinc/42/68/01/1311426801.db2.gz ORZCOTBJZNSDTO-UHFFFAOYSA-N -1 0 327.678 2.579 20 30 EFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cc(C)cc(Cl)n1 ZINC001158970952 1311426967 /nfs/dbraw/zinc/42/69/67/1311426967.db2.gz AMPCCDPSULEXSC-UHFFFAOYSA-N -1 0 341.705 2.888 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCCc1ccccc1 ZINC001224810332 1311437665 /nfs/dbraw/zinc/43/76/65/1311437665.db2.gz POFVXHLVLSUOIS-QGZVFWFLSA-N -1 0 342.457 2.875 20 30 EFEDRM O=S(=O)([O-])CCCO[C@@H](/C(=N\O)c1ccccc1)c1ccccc1 ZINC001224893204 1311447497 /nfs/dbraw/zinc/44/74/97/1311447497.db2.gz JEEKLXDXOLDMFF-FXBHHXAOSA-N -1 0 349.408 2.901 20 30 EFEDRM O=S(=O)([O-])CCCO[C@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224896155 1311447827 /nfs/dbraw/zinc/44/78/27/1311447827.db2.gz ALRIUNRVYJJYHM-IBGZPJMESA-N -1 0 342.416 2.978 20 30 EFEDRM C[C@@H](OCCCS(=O)(=O)[O-])C(F)(F)C(F)(F)C(F)(F)F ZINC001224894625 1311447922 /nfs/dbraw/zinc/44/79/22/1311447922.db2.gz VXMUULHPIGFLKI-RXMQYKEDSA-N -1 0 336.225 2.502 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C[C@H]1C#N ZINC001225620119 1311554755 /nfs/dbraw/zinc/55/47/55/1311554755.db2.gz NCCAYMGCOPVESO-WDEREUQCSA-N -1 0 349.343 2.581 20 30 EFEDRM N#Cc1ccccc1CN1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225619779 1311554818 /nfs/dbraw/zinc/55/48/18/1311554818.db2.gz IQAIEEDIGPPZHD-OAHLLOKOSA-N -1 0 339.351 2.825 20 30 EFEDRM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1F ZINC001225886438 1311586644 /nfs/dbraw/zinc/58/66/44/1311586644.db2.gz XZJLDQPLNKRYKH-SNVBAGLBSA-N -1 0 342.248 2.800 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3[n-]c(=O)c(F)cc3C#N)[C@H]1C2 ZINC001226016080 1311601356 /nfs/dbraw/zinc/60/13/56/1311601356.db2.gz PTWKONYRUBHDJD-ZWKOPEQDSA-N -1 0 349.362 2.575 20 30 EFEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226012566 1311601359 /nfs/dbraw/zinc/60/13/59/1311601359.db2.gz BETRPNQYEARTDD-SSDOTTSWSA-N -1 0 347.258 2.575 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226013519 1311601368 /nfs/dbraw/zinc/60/13/68/1311601368.db2.gz NYAQWZJYMOWQRI-GFCCVEGCSA-N -1 0 349.362 2.576 20 30 EFEDRM C[C@@H]1C[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)CN1C(=O)OC(C)(C)C ZINC001226014668 1311601509 /nfs/dbraw/zinc/60/15/09/1311601509.db2.gz YYHADVUFLUSHDO-MWLCHTKSSA-N -1 0 337.351 2.575 20 30 EFEDRM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226013522 1311601537 /nfs/dbraw/zinc/60/15/37/1311601537.db2.gz NYAQWZJYMOWQRI-LBPRGKRZSA-N -1 0 349.362 2.576 20 30 EFEDRM CCOC(=O)[C@H]1CC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066282 1311608568 /nfs/dbraw/zinc/60/85/68/1311608568.db2.gz AAKWDLWDGNAZBA-DTWKUNHWSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1C#N ZINC001226222545 1311632822 /nfs/dbraw/zinc/63/28/22/1311632822.db2.gz DSOZRTPTRNYXNO-IACUBPJLSA-N -1 0 345.399 2.602 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226223764 1311633137 /nfs/dbraw/zinc/63/31/37/1311633137.db2.gz TXAXYUCZGFCZRG-GFCCVEGCSA-N -1 0 331.372 2.522 20 30 EFEDRM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ncc(C(F)(F)F)cc1F ZINC001226257352 1311638013 /nfs/dbraw/zinc/63/80/13/1311638013.db2.gz ZJRPQAVTSIDQTR-FGLQZNDVSA-N -1 0 330.241 2.978 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc[n-]c(=O)c1Br ZINC001226719191 1311712277 /nfs/dbraw/zinc/71/22/77/1311712277.db2.gz JWYFBLURLVGUFG-QMMMGPOBSA-N -1 0 345.193 2.610 20 30 EFEDRM C=CCCCCCCN1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001277151954 1311715600 /nfs/dbraw/zinc/71/56/00/1311715600.db2.gz JYIPMJVGBCJYKH-UHFFFAOYSA-N -1 0 345.403 2.805 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)ccc2ccccc21 ZINC001226817603 1311727760 /nfs/dbraw/zinc/72/77/60/1311727760.db2.gz YWWNJBNCTHGLCO-HNNXBMFYSA-N -1 0 336.409 2.986 20 30 EFEDRM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)nnc2Br)O1 ZINC001227064984 1311757431 /nfs/dbraw/zinc/75/74/31/1311757431.db2.gz WJQDMSULFLSBRJ-AMIZOPFISA-N -1 0 344.209 2.621 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)c(C)cc1Cl ZINC001227122919 1311765123 /nfs/dbraw/zinc/76/51/23/1311765123.db2.gz OHHAHHXAXDQEJP-LBPRGKRZSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2ccc(C)cc21 ZINC001227348218 1311796056 /nfs/dbraw/zinc/79/60/56/1311796056.db2.gz BJOGWICDYULONK-UHFFFAOYSA-N -1 0 330.384 2.796 20 30 EFEDRM CCCCCCCCN1Cc2[nH]nc(C(=O)Nc3nnco3)c2C1 ZINC001277226508 1311832711 /nfs/dbraw/zinc/83/27/11/1311832711.db2.gz ZBMZRUFNLMVHGW-UHFFFAOYSA-N -1 0 332.408 2.721 20 30 EFEDRM C#C[C@@H](CC(C)C)Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227637056 1311834647 /nfs/dbraw/zinc/83/46/47/1311834647.db2.gz GBIOVUMMJGJBKQ-NSHDSACASA-N -1 0 338.356 2.765 20 30 EFEDRM C#C[C@H]1CCC[C@@H]1Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O ZINC001227639105 1311835333 /nfs/dbraw/zinc/83/53/33/1311835333.db2.gz GGQIEXJCQRHSNT-ZBEGNZNMSA-N -1 0 332.377 2.973 20 30 EFEDRM N#C[C@@H]1CC[C@@H](Oc2cc(S(=O)(=O)[O-])cc3ccc(O)cc32)C1 ZINC001227666543 1311836766 /nfs/dbraw/zinc/83/67/66/1311836766.db2.gz DRDLEWFJKPBDLO-ZWNOBZJWSA-N -1 0 333.365 2.863 20 30 EFEDRM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc(-n2nn[n-]c2=S)cc1 ZINC001228436342 1311947895 /nfs/dbraw/zinc/94/78/95/1311947895.db2.gz BJRTYADUJFHZCV-LBPRGKRZSA-N -1 0 348.428 2.616 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(SC)cc1C ZINC001228469234 1311952075 /nfs/dbraw/zinc/95/20/75/1311952075.db2.gz YKRGRTMFMCWBRC-LBPRGKRZSA-N -1 0 332.443 2.555 20 30 EFEDRM C#CC[C@@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228519413 1311960375 /nfs/dbraw/zinc/96/03/75/1311960375.db2.gz OQUPQQJVPHZPEX-CYBMUJFWSA-N -1 0 342.347 2.921 20 30 EFEDRM N#C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001228609771 1311969718 /nfs/dbraw/zinc/96/97/18/1311969718.db2.gz IHIACJDIDSUTDT-NSHDSACASA-N -1 0 330.275 2.751 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C#N)c2cccc(F)c2)cc1[O-] ZINC001228814755 1312004015 /nfs/dbraw/zinc/00/40/15/1312004015.db2.gz RDQWDCNLGSSIRB-OAHLLOKOSA-N -1 0 346.270 2.870 20 30 EFEDRM CCC1=C(Oc2[n-]c(C(F)(F)F)cc(=O)c2[N+](=O)[O-])C(=O)[C@@H](C)O1 ZINC001228858123 1312010701 /nfs/dbraw/zinc/01/07/01/1312010701.db2.gz CXXUAKBHZLEEHJ-RXMQYKEDSA-N -1 0 348.233 2.702 20 30 EFEDRM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]c(=O)ccc1C#N ZINC001228903285 1312017607 /nfs/dbraw/zinc/01/76/07/1312017607.db2.gz WNTITPFNIAFVBK-YPMHNXCESA-N -1 0 333.388 2.683 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1OC[C@H]1Cc2cccc(Br)c2O1 ZINC001228901529 1312017682 /nfs/dbraw/zinc/01/76/82/1312017682.db2.gz MHIACKQCOGJGTM-LLVKDONJSA-N -1 0 347.168 2.804 20 30 EFEDRM O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1CCOC1=O ZINC001229265117 1312069725 /nfs/dbraw/zinc/06/97/25/1312069725.db2.gz HULAXNHKSVLTLV-DLGAGEGBSA-N -1 0 340.331 2.688 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000802866651 1312090280 /nfs/dbraw/zinc/09/02/80/1312090280.db2.gz HTDXDSJSQCITKM-CQSZACIVSA-N -1 0 348.449 2.949 20 30 EFEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OC1CN(C)C1 ZINC001229408356 1312091189 /nfs/dbraw/zinc/09/11/89/1312091189.db2.gz UMBIKUAFPCLVPM-VQHVLOKHSA-N -1 0 339.391 2.990 20 30 EFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1sccc1C ZINC000802867125 1312091350 /nfs/dbraw/zinc/09/13/50/1312091350.db2.gz XELIMRUCEAFLGG-UHFFFAOYSA-N -1 0 337.422 2.740 20 30 EFEDRM N#CCCN1CC(Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229515447 1312108555 /nfs/dbraw/zinc/10/85/55/1312108555.db2.gz SDHCXHOBYLQXCX-UHFFFAOYSA-N -1 0 336.347 2.628 20 30 EFEDRM N#CC1(CCN2c3ccsc3C([O-])=CS2(=O)=O)CCCCC1 ZINC000902801244 1312118673 /nfs/dbraw/zinc/11/86/73/1312118673.db2.gz HQPBDFNVECFUMP-UHFFFAOYSA-N -1 0 338.454 2.945 20 30 EFEDRM C#CC(C#C)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccccc1 ZINC001229773046 1312136673 /nfs/dbraw/zinc/13/66/73/1312136673.db2.gz HGEHCIRPRZELFZ-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM C=C[C@H](Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc21)C(=O)OC ZINC001229797833 1312141531 /nfs/dbraw/zinc/14/15/31/1312141531.db2.gz OTKPNKWAPPUITH-HNNXBMFYSA-N -1 0 326.304 2.758 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C(C)C)cc1C ZINC001230212704 1312205607 /nfs/dbraw/zinc/20/56/07/1312205607.db2.gz ZDWODLXHULBVIL-OAHLLOKOSA-N -1 0 328.430 2.956 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nc2c(cc1C#N)COCC2 ZINC001163116341 1312244181 /nfs/dbraw/zinc/24/41/81/1312244181.db2.gz QBKUIIGCAHOGPL-UHFFFAOYSA-N -1 0 347.378 2.969 20 30 EFEDRM C#C[C@H](C)Nc1ncccc1S(=O)(=O)[N-]c1ccc(OCC)cc1 ZINC001163160969 1312253543 /nfs/dbraw/zinc/25/35/43/1312253543.db2.gz LODBWZNZEHBFDY-ZDUSSCGKSA-N -1 0 345.424 2.715 20 30 EFEDRM C=CCc1ccc(NC(=O)C(C)(C)C)c(N[C@H]2SC(=O)[N-]C2=O)n1 ZINC001163661758 1312356617 /nfs/dbraw/zinc/35/66/17/1312356617.db2.gz DHXKKNAMNGYCMQ-ZDUSSCGKSA-N -1 0 348.428 2.516 20 30 EFEDRM N#Cc1c(Cl)nc(Cl)c(N[C@@H]2SC(=O)[N-]C2=O)c1Cl ZINC001163666352 1312357919 /nfs/dbraw/zinc/35/79/19/1312357919.db2.gz SPFYJACHVIAMBH-MRVPVSSYSA-N -1 0 337.575 2.634 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(-c2ccccc2)n1 ZINC001230944035 1312398305 /nfs/dbraw/zinc/39/83/05/1312398305.db2.gz RCTPKVGGEYMDII-HNNXBMFYSA-N -1 0 349.408 2.586 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000903140824 1312400245 /nfs/dbraw/zinc/40/02/45/1312400245.db2.gz IENVBBJISLFTJN-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)n1 ZINC000903141697 1312401900 /nfs/dbraw/zinc/40/19/00/1312401900.db2.gz VLYJCOPXRIEHNT-UHFFFAOYSA-N -1 0 329.381 2.604 20 30 EFEDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)c1 ZINC000903173357 1312428418 /nfs/dbraw/zinc/42/84/18/1312428418.db2.gz NBSIEJSXENCHRE-LLVKDONJSA-N -1 0 348.428 2.578 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC[C@@H]2CCCO2)c1C#N ZINC001231227456 1312457588 /nfs/dbraw/zinc/45/75/88/1312457588.db2.gz GBVSAVUTXJIDEP-JTQLQIEISA-N -1 0 339.307 2.755 20 30 EFEDRM N#Cc1cccc(-c2cc(=O)n(-c3ccc(Cn4cncn4)cc3)[n-]2)c1 ZINC001245937609 1314552089 /nfs/dbraw/zinc/55/20/89/1314552089.db2.gz PMFYYMQNLHYHDZ-UHFFFAOYSA-N -1 0 342.362 2.756 20 30 EFEDRM C#CCCc1cc(=O)n(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[n-]1 ZINC001245951742 1314555141 /nfs/dbraw/zinc/55/51/41/1314555141.db2.gz IKJZNACSQGQYFQ-UHFFFAOYSA-N -1 0 340.770 2.887 20 30 EFEDRM COC(=O)c1cc(-c2nc(-c3ccc(C#N)c4ccccc34)no2)n[n-]1 ZINC001213463518 1314557548 /nfs/dbraw/zinc/55/75/48/1314557548.db2.gz GILDBOIRYONGON-UHFFFAOYSA-N -1 0 345.318 2.938 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1c(Cl)ccc([O-])c1F ZINC001214556570 1314707562 /nfs/dbraw/zinc/70/75/62/1314707562.db2.gz YGTYQCUGLDBMBU-UHFFFAOYSA-N -1 0 328.694 2.714 20 30 EFEDRM N#Cc1cccc2c1c(N)nn2-c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214740961 1314733529 /nfs/dbraw/zinc/73/35/29/1314733529.db2.gz XQMZNXUIHODRQP-UHFFFAOYSA-N -1 0 330.706 2.970 20 30 EFEDRM COc1ccc(Nc2ccc(OC)c(C#N)c2)c(S(=O)(=O)[O-])c1 ZINC001215002915 1314768047 /nfs/dbraw/zinc/76/80/47/1314768047.db2.gz YZYRFFBMXMTAED-UHFFFAOYSA-N -1 0 334.353 2.566 20 30 EFEDRM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(C(=O)[O-])cnc1F ZINC001215135477 1314786915 /nfs/dbraw/zinc/78/69/15/1314786915.db2.gz CMXFZEFVLLOGNR-UHFFFAOYSA-N -1 0 329.287 2.629 20 30 EFEDRM N#Cc1nc(Cl)c(Nc2ccc(F)c(C(=O)[O-])c2F)nc1C#N ZINC001215271899 1314807522 /nfs/dbraw/zinc/80/75/22/1314807522.db2.gz LRFSAFIGJOTSOX-UHFFFAOYSA-N -1 0 335.657 2.593 20 30 EFEDRM C=CCCNC(=S)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001247650174 1314815089 /nfs/dbraw/zinc/81/50/89/1314815089.db2.gz OQCNDZCJCFWPTG-UHFFFAOYSA-N -1 0 336.438 2.949 20 30 EFEDRM O=C([O-])c1cccc(COc2cccc(C=NN3CCOCC3)c2)c1 ZINC001318308878 1328552541 /nfs/dbraw/zinc/55/25/41/1328552541.db2.gz XWFDEQPIPDWMIX-UHFFFAOYSA-N -1 0 340.379 2.630 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(C(F)(F)C(F)(F)C(=O)[O-])n2)c1 ZINC001248044403 1314883791 /nfs/dbraw/zinc/88/37/91/1314883791.db2.gz LSQWJESPHYHFPE-UHFFFAOYSA-N -1 0 333.172 2.559 20 30 EFEDRM CC(C)Oc1ccc2cc(NC(=N[O-])c3nonc3N)ccc2c1 ZINC001215921836 1314891651 /nfs/dbraw/zinc/89/16/51/1314891651.db2.gz UYURZACJKBITRZ-UHFFFAOYSA-N -1 0 327.344 2.840 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C)c(C#N)c2)cc1 ZINC001216075646 1314908531 /nfs/dbraw/zinc/90/85/31/1314908531.db2.gz GTWIXRYPHHIFPH-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM N#Cc1nc(Cl)c([N-]c2cnc(Br)s2)nc1C#N ZINC001216264779 1314933512 /nfs/dbraw/zinc/93/35/12/1314933512.db2.gz ICPJTOOCESEARG-UHFFFAOYSA-N -1 0 341.581 2.836 20 30 EFEDRM COc1ccc2c(c1)O/C(=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000749132322 1314964936 /nfs/dbraw/zinc/96/49/36/1314964936.db2.gz LZJBGIDBXFPMRF-CHHVJCJISA-N -1 0 343.291 2.934 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001216654089 1314988783 /nfs/dbraw/zinc/98/87/83/1314988783.db2.gz RCTUNKVZSUITRL-UHFFFAOYSA-N -1 0 335.360 2.908 20 30 EFEDRM COC(=O)c1scc(C#N)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216677958 1314991915 /nfs/dbraw/zinc/99/19/15/1314991915.db2.gz YFLTYMAAMCKOAC-UHFFFAOYSA-N -1 0 334.328 2.916 20 30 EFEDRM C=CCn1cnc2c1ncnc2Nc1cc(CC(=O)[O-])ccc1F ZINC001216679574 1314992602 /nfs/dbraw/zinc/99/26/02/1314992602.db2.gz VUKXWUQVTVMAPN-UHFFFAOYSA-N -1 0 327.319 2.522 20 30 EFEDRM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(CC(=O)[O-])ccc1F ZINC001216683562 1314993373 /nfs/dbraw/zinc/99/33/73/1314993373.db2.gz NBTBJBKUUDNLJT-UHFFFAOYSA-N -1 0 341.342 2.736 20 30 EFEDRM N#Cc1ccc(F)c(-c2noc(-c3ccccc3S(=O)(=O)[O-])n2)c1 ZINC001216732418 1315000356 /nfs/dbraw/zinc/00/03/56/1315000356.db2.gz ZAIQSMCWDWQVAQ-UHFFFAOYSA-N -1 0 345.311 2.661 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C)ccc2C#N)cc1 ZINC001249903264 1315152531 /nfs/dbraw/zinc/15/25/31/1315152531.db2.gz XFVNFYHROFEZLR-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM N#Cc1cnn2c1ncc(C#N)c2Nc1cc(Cl)c(O)cc1F ZINC001250020556 1315168109 /nfs/dbraw/zinc/16/81/09/1315168109.db2.gz WWUAPTQUAPNYCU-UHFFFAOYSA-N -1 0 328.694 2.714 20 30 EFEDRM N#Cc1cnn(-c2ncccn2)c1Nc1c(F)ccc([O-])c1Cl ZINC001250228950 1315186591 /nfs/dbraw/zinc/18/65/91/1315186591.db2.gz QJTSPMQFVGAFKB-UHFFFAOYSA-N -1 0 330.710 2.776 20 30 EFEDRM N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC001250591619 1315228376 /nfs/dbraw/zinc/22/83/76/1315228376.db2.gz VMJHXZRTXKSBSM-UHFFFAOYSA-N -1 0 349.375 2.555 20 30 EFEDRM N#Cc1ncc(Br)cc1[N-]S(=O)(=O)c1cccs1 ZINC001250867032 1315283662 /nfs/dbraw/zinc/28/36/62/1315283662.db2.gz GOHAOSYQNZRNPL-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001251004805 1315309357 /nfs/dbraw/zinc/30/93/57/1315309357.db2.gz WIILNBTZFQZUNV-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1 ZINC001251115897 1315323135 /nfs/dbraw/zinc/32/31/35/1315323135.db2.gz AWFQLVTYDCVUEE-UHFFFAOYSA-N -1 0 336.376 2.816 20 30 EFEDRM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC(S)CC1 ZINC001251412147 1315347108 /nfs/dbraw/zinc/34/71/08/1315347108.db2.gz SWAFTHJAQGBBFZ-UHFFFAOYSA-N -1 0 342.269 2.782 20 30 EFEDRM N#C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251411427 1315347214 /nfs/dbraw/zinc/34/72/14/1315347214.db2.gz AIVPDDVCTZVUTL-MRVPVSSYSA-N -1 0 335.212 2.623 20 30 EFEDRM O=S(=O)([N-]CCc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC001252389866 1315444330 /nfs/dbraw/zinc/44/43/30/1315444330.db2.gz FHZNTNYNORAVGQ-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000316507929 1315466798 /nfs/dbraw/zinc/46/67/98/1315466798.db2.gz SPOVTFTVNUIAGX-SECBINFHSA-N -1 0 338.212 2.691 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)C(=O)[O-] ZINC000316584751 1315469289 /nfs/dbraw/zinc/46/92/89/1315469289.db2.gz JYEZNGFFLNBEDN-SECBINFHSA-N -1 0 328.752 2.508 20 30 EFEDRM C=C[C@](C)(O)CNc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001252564144 1315468548 /nfs/dbraw/zinc/46/85/48/1315468548.db2.gz CCCBBUHEIIWDBD-FQEVSTJZSA-N -1 0 339.391 2.894 20 30 EFEDRM C=CCC[C@@H](O)CNc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001252606957 1315475316 /nfs/dbraw/zinc/47/53/16/1315475316.db2.gz CNKPJRTUQVHELV-LLVKDONJSA-N -1 0 337.397 2.531 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252817546 1315510888 /nfs/dbraw/zinc/51/08/88/1315510888.db2.gz OPUKUWXXTZXMGC-UHFFFAOYSA-N -1 0 338.392 2.686 20 30 EFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001252952791 1315541858 /nfs/dbraw/zinc/54/18/58/1315541858.db2.gz SGYMRTSMSWJBQP-MDZDMXLPSA-N -1 0 330.413 2.922 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253113300 1315570958 /nfs/dbraw/zinc/57/09/58/1315570958.db2.gz JBCIBRAGGSEETR-UHFFFAOYSA-N -1 0 336.411 2.615 20 30 EFEDRM C=CCCCCCC[C@@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001253245993 1315584542 /nfs/dbraw/zinc/58/45/42/1315584542.db2.gz HARDSGANFMTAKN-QGZVFWFLSA-N -1 0 348.443 2.800 20 30 EFEDRM C#Cc1cc(C#C)cc(-c2cn(Cc3cccc(C(=O)[O-])c3)nn2)c1 ZINC001254099554 1315672768 /nfs/dbraw/zinc/67/27/68/1315672768.db2.gz JOQGITKASPSXFT-UHFFFAOYSA-N -1 0 327.343 2.654 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC001254208722 1315682806 /nfs/dbraw/zinc/68/28/06/1315682806.db2.gz PRUYCXJZYVGLGR-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)c1 ZINC001254436221 1315704204 /nfs/dbraw/zinc/70/42/04/1315704204.db2.gz VTJFYCQDANQFFJ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2)cc1OC ZINC001255636213 1315850994 /nfs/dbraw/zinc/85/09/94/1315850994.db2.gz ZQDVOGVBEWBRMR-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001255733540 1315862944 /nfs/dbraw/zinc/86/29/44/1315862944.db2.gz VLRCNPRFWBDXNO-UHFFFAOYSA-N -1 0 342.298 2.762 20 30 EFEDRM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1[O-] ZINC001278895281 1315878792 /nfs/dbraw/zinc/87/87/92/1315878792.db2.gz NKNICXCARAQOPQ-CEXWTWQISA-N -1 0 349.434 2.571 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)cc2F)c1C#N ZINC001256005342 1315891492 /nfs/dbraw/zinc/89/14/92/1315891492.db2.gz DRGNQGGAULXUNI-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256067671 1315898680 /nfs/dbraw/zinc/89/86/80/1315898680.db2.gz YWKZRLIFOINRLT-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256078134 1315901412 /nfs/dbraw/zinc/90/14/12/1315901412.db2.gz XOLGVWMBUXNFRF-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(O)cc1F ZINC001256804259 1315993146 /nfs/dbraw/zinc/99/31/46/1315993146.db2.gz ODQYVMUEYCHZNW-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccccc2)c1 ZINC001256869178 1316002623 /nfs/dbraw/zinc/00/26/23/1316002623.db2.gz OXWJSEVGQYGBOE-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC001257204904 1316046137 /nfs/dbraw/zinc/04/61/37/1316046137.db2.gz JXBDOLNROIXZOF-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)cc1 ZINC001258026811 1316114070 /nfs/dbraw/zinc/11/40/70/1316114070.db2.gz LLFDMCBLZHXEJU-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3O)no2)cc1 ZINC001258045540 1316114873 /nfs/dbraw/zinc/11/48/73/1316114873.db2.gz LVYVDSQTQYIEQO-UHFFFAOYSA-N -1 0 341.348 2.720 20 30 EFEDRM COc1cccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)cnc21 ZINC001258045303 1316115215 /nfs/dbraw/zinc/11/52/15/1316115215.db2.gz IDZNDUNKHPLFKC-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2OC(F)(F)F)cc1 ZINC001258053459 1316115823 /nfs/dbraw/zinc/11/58/23/1316115823.db2.gz DIBVKYAFJGBFNS-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COc1cc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC001258135675 1316123934 /nfs/dbraw/zinc/12/39/34/1316123934.db2.gz DBKKLMMKLZGDHG-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1cccc2ncc([N-]S(=O)(=O)c3ccccc3C#N)cc21 ZINC001258208747 1316131368 /nfs/dbraw/zinc/13/13/68/1316131368.db2.gz VZVSZURMEPHSSU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnc2cccc(O)c2c1 ZINC001258208156 1316131378 /nfs/dbraw/zinc/13/13/78/1316131378.db2.gz KBZHQWBJZHQFNQ-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1F ZINC001258208746 1316131392 /nfs/dbraw/zinc/13/13/92/1316131392.db2.gz VYKIWCHCRINCKS-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnnc2ccc(Cl)cc12 ZINC001258208506 1316131571 /nfs/dbraw/zinc/13/15/71/1316131571.db2.gz SFYBPNQPHTVBPY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cnccc1N1CCCCC1 ZINC001258214721 1316132130 /nfs/dbraw/zinc/13/21/30/1316132130.db2.gz PTMKXGFEOJBVQO-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)ccc12 ZINC001258278901 1316136186 /nfs/dbraw/zinc/13/61/86/1316136186.db2.gz KYZZRVOSEGBVJW-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COc1ccc2cccnc2c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258290314 1316137418 /nfs/dbraw/zinc/13/74/18/1316137418.db2.gz PDAGIXLGXFCSMU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C#N)c(C)cc1C ZINC001258442777 1316150682 /nfs/dbraw/zinc/15/06/82/1316150682.db2.gz DYDJKKAZYXDAHU-UHFFFAOYSA-N -1 0 338.820 2.671 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1F ZINC001258659316 1316170479 /nfs/dbraw/zinc/17/04/79/1316170479.db2.gz IQBSTFAFRJPNLW-UHFFFAOYSA-N -1 0 329.740 2.756 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C#N)c1 ZINC001258911668 1316191739 /nfs/dbraw/zinc/19/17/39/1316191739.db2.gz JXDQLDBVCNBCFC-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1occ(C)c1C#N ZINC001258933123 1316193780 /nfs/dbraw/zinc/19/37/80/1316193780.db2.gz SACWHNPSGVJVGC-UHFFFAOYSA-N -1 0 326.761 2.923 20 30 EFEDRM N#Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258941765 1316194579 /nfs/dbraw/zinc/19/45/79/1316194579.db2.gz WVQHMUKNFKHWTF-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258947662 1316195401 /nfs/dbraw/zinc/19/54/01/1316195401.db2.gz VZGDCQGAHZYLOH-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)c(OC)c1 ZINC001258951596 1316196481 /nfs/dbraw/zinc/19/64/81/1316196481.db2.gz QZAXQIJKGXUDKS-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2oc(C)c(C)c2C#N)c(OC)c1 ZINC001258952842 1316196577 /nfs/dbraw/zinc/19/65/77/1316196577.db2.gz MRKSAFJOCUFYTA-UHFFFAOYSA-N -1 0 336.369 2.586 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c(OC)c1 ZINC001258959222 1316197344 /nfs/dbraw/zinc/19/73/44/1316197344.db2.gz OTKXJRJEUHSKBJ-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C#N)s1)C(=O)C2 ZINC001258980928 1316198916 /nfs/dbraw/zinc/19/89/16/1316198916.db2.gz ZEEWGVOSSBNFIP-MEBBXXQBSA-N -1 0 338.454 2.757 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259034876 1316200241 /nfs/dbraw/zinc/20/02/41/1316200241.db2.gz HXNDVFYZDAZASP-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259039714 1316200687 /nfs/dbraw/zinc/20/06/87/1316200687.db2.gz LDBAPZJHVKZJJD-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259040487 1316201191 /nfs/dbraw/zinc/20/11/91/1316201191.db2.gz NKWPCSDHZOYOTL-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC001259046505 1316201704 /nfs/dbraw/zinc/20/17/04/1316201704.db2.gz HKOGRXNEYRFAPD-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM O=S(=O)(NCCCCCCS)c1cc(F)c(F)cc1F ZINC001259045026 1316201869 /nfs/dbraw/zinc/20/18/69/1316201869.db2.gz MJAJSYLWXJOIDJ-UHFFFAOYSA-N -1 0 327.393 2.872 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259069817 1316204103 /nfs/dbraw/zinc/20/41/03/1316204103.db2.gz VZQSFUXCXAXSSS-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC001259081953 1316206473 /nfs/dbraw/zinc/20/64/73/1316206473.db2.gz ZZMSYSVUUATHPG-UHFFFAOYSA-N -1 0 333.331 2.655 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC001259081834 1316206842 /nfs/dbraw/zinc/20/68/42/1316206842.db2.gz SHYGPYVUGIBYPR-NSHDSACASA-N -1 0 344.289 2.786 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C#N ZINC001259085508 1316207257 /nfs/dbraw/zinc/20/72/57/1316207257.db2.gz KJIGRFJUBPBQRY-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)on1 ZINC001259106751 1316210203 /nfs/dbraw/zinc/21/02/03/1316210203.db2.gz GICIFUGIIOTQSI-UHFFFAOYSA-N -1 0 325.777 2.953 20 30 EFEDRM COc1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC001259107095 1316210316 /nfs/dbraw/zinc/21/03/16/1316210316.db2.gz DETWJKQIDXKTQL-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)c(Cl)c1 ZINC001259107270 1316210698 /nfs/dbraw/zinc/21/06/98/1316210698.db2.gz OGSNBUQPFOXMGM-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnc1C#N ZINC001259107755 1316210720 /nfs/dbraw/zinc/21/07/20/1316210720.db2.gz PJLATPRTZSKUPL-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259113377 1316210884 /nfs/dbraw/zinc/21/08/84/1316210884.db2.gz BEHTYOMPKDOIHL-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3nccnc23)c(Cl)c1 ZINC001259112572 1316211017 /nfs/dbraw/zinc/21/10/17/1316211017.db2.gz UYRLXWBJOKMZHX-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)c(Cl)c1 ZINC001259113046 1316211103 /nfs/dbraw/zinc/21/11/03/1316211103.db2.gz AHFNUQSHRSNQKW-UHFFFAOYSA-N -1 0 349.755 2.859 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC001259112360 1316211279 /nfs/dbraw/zinc/21/12/79/1316211279.db2.gz BVRARRNXCQAOFB-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cn2n1 ZINC001259119091 1316211745 /nfs/dbraw/zinc/21/17/45/1316211745.db2.gz HWTRCZRXBTULBA-UHFFFAOYSA-N -1 0 341.396 2.525 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3O)no2)c1 ZINC001259118454 1316211809 /nfs/dbraw/zinc/21/18/09/1316211809.db2.gz HPRSDMLMIRYZMI-UHFFFAOYSA-N -1 0 341.348 2.720 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2N2CCCCC2)c1 ZINC001259118764 1316211848 /nfs/dbraw/zinc/21/18/48/1316211848.db2.gz QPFGSYPDMCCHMO-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)cc1 ZINC001259177369 1316215444 /nfs/dbraw/zinc/21/54/44/1316215444.db2.gz TZOAAWJRQAZJPP-UHFFFAOYSA-N -1 0 339.376 2.742 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)c1 ZINC001259189299 1316217090 /nfs/dbraw/zinc/21/70/90/1316217090.db2.gz HTJDNPGUQQBOCY-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccn2)cc(C(F)(F)F)c1 ZINC001259288262 1316225385 /nfs/dbraw/zinc/22/53/85/1316225385.db2.gz HCQMBCQMWWNUDI-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259311371 1316228536 /nfs/dbraw/zinc/22/85/36/1316228536.db2.gz DHCFBQLBCKLFGM-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cn1cnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C#N ZINC001259332252 1316230687 /nfs/dbraw/zinc/23/06/87/1316230687.db2.gz OBDRBXJEWNGJMH-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C#N ZINC001259357637 1316232815 /nfs/dbraw/zinc/23/28/15/1316232815.db2.gz PBIBCRMTSKCAMQ-UHFFFAOYSA-N -1 0 328.393 2.911 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C#N ZINC001259385361 1316235743 /nfs/dbraw/zinc/23/57/43/1316235743.db2.gz QNEAPBCDJVWWSY-UHFFFAOYSA-N -1 0 343.364 2.823 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C#N)c1 ZINC001259392064 1316236809 /nfs/dbraw/zinc/23/68/09/1316236809.db2.gz SMFJVGHKRPGCDG-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM Cc1nc2sccc2c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC001259411747 1316239274 /nfs/dbraw/zinc/23/92/74/1316239274.db2.gz ANDMTOKJSPCKCE-UHFFFAOYSA-N -1 0 348.384 2.811 20 30 EFEDRM CC(C)(C)c1nccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC001259413410 1316239629 /nfs/dbraw/zinc/23/96/29/1316239629.db2.gz ICGCFMLRZFUTRU-UHFFFAOYSA-N -1 0 334.376 2.586 20 30 EFEDRM COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417719 1316239696 /nfs/dbraw/zinc/23/96/96/1316239696.db2.gz PKCFEDJWCJEIIH-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417200 1316239829 /nfs/dbraw/zinc/23/98/29/1316239829.db2.gz LEUCICODJKNNFY-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418836 1316240264 /nfs/dbraw/zinc/24/02/64/1316240264.db2.gz UFGWDBRCCWMTGV-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C#N)c1 ZINC001259418825 1316240346 /nfs/dbraw/zinc/24/03/46/1316240346.db2.gz STPLJUFUKUINKT-UHFFFAOYSA-N -1 0 343.339 2.572 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3snnc32)ccc1F ZINC001259418983 1316240411 /nfs/dbraw/zinc/24/04/11/1316240411.db2.gz BDHSSJQNBZUWRK-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259440241 1316243582 /nfs/dbraw/zinc/24/35/82/1316243582.db2.gz PKLNJMPYJXRBJV-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259439444 1316243826 /nfs/dbraw/zinc/24/38/26/1316243826.db2.gz GLDYIJNDHATWMD-UHFFFAOYSA-N -1 0 339.323 2.664 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(O)cc1F ZINC001259458520 1316245727 /nfs/dbraw/zinc/24/57/27/1316245727.db2.gz PQBFBHYUBJQYOP-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259461151 1316245938 /nfs/dbraw/zinc/24/59/38/1316245938.db2.gz ICWSUSHTLXCIFO-XQRVVYSFSA-N -1 0 345.701 2.793 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259464473 1316246745 /nfs/dbraw/zinc/24/67/45/1316246745.db2.gz OZRJIAGWTHKPCN-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C#N)c1 ZINC001259506993 1316253149 /nfs/dbraw/zinc/25/31/49/1316253149.db2.gz VQCGHEAXXPDFIA-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(O)c1 ZINC001259512277 1316254098 /nfs/dbraw/zinc/25/40/98/1316254098.db2.gz VKOHUXXPZRGPAT-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1cc(C)cc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)c1 ZINC001259517101 1316255167 /nfs/dbraw/zinc/25/51/67/1316255167.db2.gz LFAAKSVGSPIJNJ-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1OC ZINC001259522671 1316256226 /nfs/dbraw/zinc/25/62/26/1316256226.db2.gz UJPIARPNGFZSLS-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c1C#N ZINC001259761200 1316273944 /nfs/dbraw/zinc/27/39/44/1316273944.db2.gz PWLWSKCPSSLHCA-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)CCc2cccc(F)c2)c1C#N ZINC001259773526 1316276064 /nfs/dbraw/zinc/27/60/64/1316276064.db2.gz RNNJGGNPBHYISB-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)CCc2cccc(F)c2)c1 ZINC001259773322 1316276221 /nfs/dbraw/zinc/27/62/21/1316276221.db2.gz MTBQVWOUYZCRQG-UHFFFAOYSA-N -1 0 334.372 2.690 20 30 EFEDRM N#Cc1cc(F)c(F)cc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774570 1316276449 /nfs/dbraw/zinc/27/64/49/1316276449.db2.gz CWZQSSUWQFKEGB-UHFFFAOYSA-N -1 0 340.326 2.960 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2C#N)cn1 ZINC001259838071 1316285224 /nfs/dbraw/zinc/28/52/24/1316285224.db2.gz PUGQZJPZWGRZCC-UHFFFAOYSA-N -1 0 345.211 2.882 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C(F)(F)F)cn1 ZINC001259838454 1316285722 /nfs/dbraw/zinc/28/57/22/1316285722.db2.gz MKSWMHFUAXMQGY-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2c(C#N)cccc2C(F)(F)F)cn1 ZINC001259838611 1316285903 /nfs/dbraw/zinc/28/59/03/1316285903.db2.gz XXKXIUDEGVKERV-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM N#Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259850286 1316286710 /nfs/dbraw/zinc/28/67/10/1316286710.db2.gz XKYPKYFCBAQZOD-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM CC(C)CS(=O)(=O)[N-]c1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001259879499 1316291888 /nfs/dbraw/zinc/29/18/88/1316291888.db2.gz QFXRERYWOCKBPS-UHFFFAOYSA-N -1 0 338.820 2.795 20 30 EFEDRM C=CCS(=O)(=O)Nc1c(Cl)ccc(Br)c1[O-] ZINC001259932089 1316299316 /nfs/dbraw/zinc/29/93/16/1316299316.db2.gz RPUMECPWMFFGFF-UHFFFAOYSA-N -1 0 326.599 2.736 20 30 EFEDRM C=CCS(=O)(=O)N[C@H](C(=O)OCC)c1cccc2ccccc21 ZINC001259934424 1316299585 /nfs/dbraw/zinc/29/95/85/1316299585.db2.gz RBJNSAQKEGIKMK-INIZCTEOSA-N -1 0 333.409 2.549 20 30 EFEDRM N#Cc1cc(Br)c(Cl)cc1[N-]S(=O)(=O)C(F)F ZINC001259958479 1316301571 /nfs/dbraw/zinc/30/15/71/1316301571.db2.gz MIFTVKGEHKZVPT-UHFFFAOYSA-N -1 0 345.552 2.938 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(O)c1 ZINC001260011155 1316305993 /nfs/dbraw/zinc/30/59/93/1316305993.db2.gz CBUQEMCSYAUARV-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001260011013 1316306131 /nfs/dbraw/zinc/30/61/31/1316306131.db2.gz UNDYCXSOQNEYAP-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1)CCC2 ZINC001260038291 1316309546 /nfs/dbraw/zinc/30/95/46/1316309546.db2.gz YCESLZQVFYYEOZ-UHFFFAOYSA-N -1 0 343.433 2.922 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C(F)(F)F)cc1 ZINC001260038092 1316309835 /nfs/dbraw/zinc/30/98/35/1316309835.db2.gz MLFYZBWLNFELPO-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044728 1316310484 /nfs/dbraw/zinc/31/04/84/1316310484.db2.gz IXEIOVDFGFKUHI-UHFFFAOYSA-N -1 0 332.356 2.842 20 30 EFEDRM CP(C)(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043710 1316310611 /nfs/dbraw/zinc/31/06/11/1316310611.db2.gz DLGLSDDPLRHBLJ-UHFFFAOYSA-N -1 0 348.364 2.748 20 30 EFEDRM CC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001260044572 1316310643 /nfs/dbraw/zinc/31/06/43/1316310643.db2.gz FBIYPRSIGDSQAP-UHFFFAOYSA-N -1 0 339.376 2.574 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(F)cc(F)c2C#N)cc1 ZINC001260045503 1316311009 /nfs/dbraw/zinc/31/10/09/1316311009.db2.gz VFKISOMCASLFLV-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1 ZINC001260045300 1316311015 /nfs/dbraw/zinc/31/10/15/1316311015.db2.gz LKRSYZOMXXCRBM-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1 ZINC001260045288 1316311110 /nfs/dbraw/zinc/31/11/10/1316311110.db2.gz KSXBAPHRFOTMTO-UHFFFAOYSA-N -1 0 333.319 2.650 20 30 EFEDRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(C#CC(C)(C)O)c1 ZINC001260069200 1316313004 /nfs/dbraw/zinc/31/30/04/1316313004.db2.gz OFAXHUGSRVWXDE-UHFFFAOYSA-N -1 0 335.450 2.980 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(C)c3cnccc32)o1 ZINC001260087232 1316314525 /nfs/dbraw/zinc/31/45/25/1316314525.db2.gz JOFDDZYWMITZEC-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2C)c2ccncc12 ZINC001260087417 1316314581 /nfs/dbraw/zinc/31/45/81/1316314581.db2.gz NJZGVKVPCICQAV-UHFFFAOYSA-N -1 0 338.392 2.919 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N ZINC001260111104 1316316302 /nfs/dbraw/zinc/31/63/02/1316316302.db2.gz IQAYVDNGKSAFGB-UHFFFAOYSA-N -1 0 332.429 2.833 20 30 EFEDRM CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001260193464 1316321889 /nfs/dbraw/zinc/32/18/89/1316321889.db2.gz GMKSRVCNNRYODV-MRXNPFEDSA-N -1 0 344.392 2.686 20 30 EFEDRM C[C@@H](C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001260228448 1316324628 /nfs/dbraw/zinc/32/46/28/1316324628.db2.gz YVVZQZMGMXPVKT-NSHDSACASA-N -1 0 330.365 2.813 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001260232172 1316325205 /nfs/dbraw/zinc/32/52/05/1316325205.db2.gz APDJCAVWLOPVIR-MRXNPFEDSA-N -1 0 331.393 2.981 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1C#N ZINC001260277416 1316327441 /nfs/dbraw/zinc/32/74/41/1316327441.db2.gz IQXFUNUJDYHNJX-UHFFFAOYSA-N -1 0 333.703 2.587 20 30 EFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260278700 1316327900 /nfs/dbraw/zinc/32/79/00/1316327900.db2.gz PHJQKTLRDBKRAY-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)n1 ZINC001260279200 1316327919 /nfs/dbraw/zinc/32/79/19/1316327919.db2.gz QMWHMJLXNZSSJL-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#CC1(CNS(=O)(=O)c2cc(F)c(F)cc2Cl)CCCC1 ZINC001260286709 1316328267 /nfs/dbraw/zinc/32/82/67/1316328267.db2.gz YQDTYQSGZZVLOO-UHFFFAOYSA-N -1 0 334.775 2.980 20 30 EFEDRM Cc1ccc(-n2[n-]c(C(=O)N3CCc4c3cccc4C#N)cc2=O)cc1 ZINC001299665016 1316328405 /nfs/dbraw/zinc/32/84/05/1316328405.db2.gz VFXCTOWPBKPQIV-UHFFFAOYSA-N -1 0 344.374 2.549 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ncc(C#N)cc1Cl ZINC001260291732 1316329486 /nfs/dbraw/zinc/32/94/86/1316329486.db2.gz PUZDKMDLWBYYPY-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001260292406 1316329504 /nfs/dbraw/zinc/32/95/04/1316329504.db2.gz BSDVHCLDGOQYCU-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C ZINC001260291865 1316329524 /nfs/dbraw/zinc/32/95/24/1316329524.db2.gz WSRLSGGJRNZZNL-UHFFFAOYSA-N -1 0 348.428 2.628 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC001260308692 1316331348 /nfs/dbraw/zinc/33/13/48/1316331348.db2.gz MUUNPKWYFQBMSX-UHFFFAOYSA-N -1 0 332.168 2.962 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C#N)c1 ZINC001260353764 1316333980 /nfs/dbraw/zinc/33/39/80/1316333980.db2.gz HBYIFIIKNYNVNG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1c(F)cc(F)cc1F ZINC001260355589 1316334169 /nfs/dbraw/zinc/33/41/69/1316334169.db2.gz YZQOPTAAGWOCCC-UHFFFAOYSA-N -1 0 343.195 2.580 20 30 EFEDRM N#C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 ZINC001260356413 1316334448 /nfs/dbraw/zinc/33/44/48/1316334448.db2.gz ZKNHWXZQQNKOMD-ZDUSSCGKSA-N -1 0 344.289 2.786 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2cccc3nsnc32)c1C#N ZINC001260382332 1316336179 /nfs/dbraw/zinc/33/61/79/1316336179.db2.gz LZKNUBRMQNKXOE-UHFFFAOYSA-N -1 0 336.423 2.734 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260446432 1316339580 /nfs/dbraw/zinc/33/95/80/1316339580.db2.gz CIDYZIXFTIVXME-UHFFFAOYSA-N -1 0 332.362 2.527 20 30 EFEDRM C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(CCCCC)cc1 ZINC001260567071 1316346066 /nfs/dbraw/zinc/34/60/66/1316346066.db2.gz HOVSLFIYEAAOTB-UHFFFAOYSA-N -1 0 329.425 2.991 20 30 EFEDRM CCCCOc1ccc(S(=O)(=O)[N-]c2cncc(C#N)c2)cc1 ZINC001260573354 1316347505 /nfs/dbraw/zinc/34/75/05/1316347505.db2.gz ZAKNPWSPUCLLLX-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260622094 1316349361 /nfs/dbraw/zinc/34/93/61/1316349361.db2.gz GOHPMYLSPQHPQT-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001260644937 1316353457 /nfs/dbraw/zinc/35/34/57/1316353457.db2.gz DNSSGEQZZXNAHS-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC001260650263 1316353840 /nfs/dbraw/zinc/35/38/40/1316353840.db2.gz ZKKBPUPNDVUMDY-UHFFFAOYSA-N -1 0 335.356 2.647 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1C#N ZINC001260650901 1316354616 /nfs/dbraw/zinc/35/46/16/1316354616.db2.gz MOCVGACDAMYFER-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)cc1F ZINC001260657798 1316355750 /nfs/dbraw/zinc/35/57/50/1316355750.db2.gz ZPBCBZJFFRITRT-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)s2)ccc1C#N ZINC001260685549 1316358748 /nfs/dbraw/zinc/35/87/48/1316358748.db2.gz WOPTWDHVDLUJRC-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260690111 1316359700 /nfs/dbraw/zinc/35/97/00/1316359700.db2.gz LGRGLDKJEDBPHR-UHFFFAOYSA-N -1 0 338.820 2.931 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C#N ZINC001260712980 1316361399 /nfs/dbraw/zinc/36/13/99/1316361399.db2.gz YMYIYGYFKMOQGE-UHFFFAOYSA-N -1 0 347.396 2.759 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)o1 ZINC001260713247 1316362087 /nfs/dbraw/zinc/36/20/87/1316362087.db2.gz UOJICEKQNOMRNX-UHFFFAOYSA-N -1 0 347.396 2.759 20 30 EFEDRM CC[C@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001260726899 1316363282 /nfs/dbraw/zinc/36/32/82/1316363282.db2.gz XCTKDXSMTVOBMT-JTQLQIEISA-N -1 0 338.820 2.938 20 30 EFEDRM COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC001260760632 1316365326 /nfs/dbraw/zinc/36/53/26/1316365326.db2.gz WGEYDFCFZUQMDM-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1snc(C)c1C#N ZINC001260764257 1316365996 /nfs/dbraw/zinc/36/59/96/1316365996.db2.gz CDCRLOWFNKNFTG-UHFFFAOYSA-N -1 0 337.426 2.749 20 30 EFEDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N ZINC001260772758 1316367295 /nfs/dbraw/zinc/36/72/95/1316367295.db2.gz TYSZMPLNLSDSPT-UHFFFAOYSA-N -1 0 341.392 2.856 20 30 EFEDRM COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C)c(C)cc1OC ZINC001260771711 1316367488 /nfs/dbraw/zinc/36/74/88/1316367488.db2.gz VXPZFWXPEUDTQV-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1 ZINC001260778754 1316368118 /nfs/dbraw/zinc/36/81/18/1316368118.db2.gz FXPZBFCLPNGWDE-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccnc1C#N ZINC001260779061 1316368258 /nfs/dbraw/zinc/36/82/58/1316368258.db2.gz QAOXXHVIZSJMNZ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(C)c(C#N)c2)c1 ZINC001260810799 1316370458 /nfs/dbraw/zinc/37/04/58/1316370458.db2.gz SBQMKCWQHQLZBC-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM N#C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260871642 1316374708 /nfs/dbraw/zinc/37/47/08/1316374708.db2.gz BCRVGXFVXYNOAL-QMMMGPOBSA-N -1 0 335.212 2.623 20 30 EFEDRM N#Cc1cc(Cc2ccccc2)sc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260953754 1316377890 /nfs/dbraw/zinc/37/78/90/1316377890.db2.gz LRXBIBCWDZYUFM-UHFFFAOYSA-N -1 0 344.421 2.734 20 30 EFEDRM Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261066339 1316387593 /nfs/dbraw/zinc/38/75/93/1316387593.db2.gz SHHHVLATZBAWGD-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNCC1CCOCC1 ZINC001261235756 1316398113 /nfs/dbraw/zinc/39/81/13/1316398113.db2.gz HGBOMDVCSWPTRM-HNNXBMFYSA-N -1 0 348.443 2.863 20 30 EFEDRM C=CC[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001261292286 1316402589 /nfs/dbraw/zinc/40/25/89/1316402589.db2.gz ZVUUYTYJODCTHG-YESZJQIVSA-N -1 0 346.427 2.791 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(Br)ccc1CC)C(=O)[O-] ZINC001262177359 1316451102 /nfs/dbraw/zinc/45/11/02/1316451102.db2.gz RZJMDBSZACONCI-GFCCVEGCSA-N -1 0 326.190 2.771 20 30 EFEDRM O=C([O-])c1cccc(COc2cccc(C=NN[C@H]3CCOC3)c2)c1 ZINC001261893100 1316436380 /nfs/dbraw/zinc/43/63/80/1316436380.db2.gz HODULOYFXXPJIP-KRWDZBQOSA-N -1 0 340.379 2.676 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2nccs2)n1 ZINC001263289416 1316527857 /nfs/dbraw/zinc/52/78/57/1316527857.db2.gz FCTUMSZKRUHKTP-NWALNABHSA-N -1 0 333.394 2.666 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC001263313988 1316529592 /nfs/dbraw/zinc/52/95/92/1316529592.db2.gz BKCXMAAGOFJXNI-CYBMUJFWSA-N -1 0 347.802 2.680 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1-c1ccccc1 ZINC001263381023 1316540105 /nfs/dbraw/zinc/54/01/05/1316540105.db2.gz HPYZNYAPBFBIRT-CYBMUJFWSA-N -1 0 336.326 2.905 20 30 EFEDRM C#CC[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001263380749 1316540367 /nfs/dbraw/zinc/54/03/67/1316540367.db2.gz ZLCFHRADALRDGV-VIFPVBQESA-N -1 0 335.303 2.517 20 30 EFEDRM N#CC(=C([O-])c1ccn(-c2cccc(C#N)c2)n1)c1cccc(F)n1 ZINC001263381702 1316540379 /nfs/dbraw/zinc/54/03/79/1316540379.db2.gz CTYIBUZVIZCEGT-AWEZNQCLSA-N -1 0 331.310 2.768 20 30 EFEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318965381 1328751513 /nfs/dbraw/zinc/75/15/13/1328751513.db2.gz DYPPCBYDWKWBJK-UHFFFAOYSA-N -1 0 346.408 2.579 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001319336444 1328856059 /nfs/dbraw/zinc/85/60/59/1328856059.db2.gz BAWBWZZGIFGVIU-UHFFFAOYSA-N -1 0 344.367 2.705 20 30 EFEDRM Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC001319528263 1328910356 /nfs/dbraw/zinc/91/03/56/1328910356.db2.gz BAWPQSQWTHTOEW-UHFFFAOYSA-N -1 0 338.367 2.918 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(Br)n1 ZINC001319993633 1329052036 /nfs/dbraw/zinc/05/20/36/1329052036.db2.gz LEHPZPATEOFGEG-ALCCZGGFSA-N -1 0 330.141 2.979 20 30 EFEDRM C=CC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)OCC ZINC001320088879 1329073362 /nfs/dbraw/zinc/07/33/62/1329073362.db2.gz HBZXPEIITIRVNM-AXLKIAQESA-N -1 0 326.736 2.881 20 30 EFEDRM COc1cc(C=NNCc2ccc(F)cc2)ccc1OCCC(=O)[O-] ZINC001320142791 1329097158 /nfs/dbraw/zinc/09/71/58/1329097158.db2.gz LOSOHUUMBRQFJR-UHFFFAOYSA-N -1 0 346.358 2.812 20 30 EFEDRM C=CCN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1Cc1ccccc1 ZINC001340364849 1324928236 /nfs/dbraw/zinc/92/82/36/1324928236.db2.gz XFNKZMOASMADNW-UHFFFAOYSA-N -1 0 338.415 2.538 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1ccc(OC2CCOCC2)c(C)c1)C(=O)[O-] ZINC001321112646 1329344371 /nfs/dbraw/zinc/34/43/71/1329344371.db2.gz XQHQFYQVVVGMJY-OAHLLOKOSA-N -1 0 348.399 2.704 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC001321112739 1329344792 /nfs/dbraw/zinc/34/47/92/1329344792.db2.gz ZMENFBLFPDCTEQ-JQWIXIFHSA-N -1 0 336.392 2.507 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001321144043 1329348518 /nfs/dbraw/zinc/34/85/18/1329348518.db2.gz CIWACHJVXYUITG-AWEZNQCLSA-N -1 0 345.424 2.681 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC001321268329 1329365699 /nfs/dbraw/zinc/36/56/99/1329365699.db2.gz PWIMIWIXVSNEES-AWEZNQCLSA-N -1 0 335.791 2.692 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cncc(-c2ccc(OC)cc2)c1)C(=O)[O-] ZINC001321657052 1329401299 /nfs/dbraw/zinc/40/12/99/1329401299.db2.gz BAPJMQDLAMCHSA-MRXNPFEDSA-N -1 0 326.352 2.516 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(=O)[O-] ZINC001321657034 1329401398 /nfs/dbraw/zinc/40/13/98/1329401398.db2.gz AICBSTDFCSOGDE-INIZCTEOSA-N -1 0 344.411 2.664 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001322515131 1329464617 /nfs/dbraw/zinc/46/46/17/1329464617.db2.gz SWNKPGJIIXBSLB-IRXDYDNUSA-N -1 0 346.427 2.799 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC001322598768 1329471220 /nfs/dbraw/zinc/47/12/20/1329471220.db2.gz FYOJLBCXIPJEKP-CYBMUJFWSA-N -1 0 347.415 2.674 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C(=O)[O-] ZINC001322602666 1329471402 /nfs/dbraw/zinc/47/14/02/1329471402.db2.gz UQWKHHLOZFQBDV-GFCCVEGCSA-N -1 0 338.385 2.854 20 30 EFEDRM C=CC[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001322602143 1329471603 /nfs/dbraw/zinc/47/16/03/1329471603.db2.gz UQRFNSNKEFKNQV-CYBMUJFWSA-N -1 0 334.759 2.683 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)[nH]c3ccc(OC)cc32)CC1 ZINC001323961557 1329587733 /nfs/dbraw/zinc/58/77/33/1329587733.db2.gz ISNIBLPGKAASFG-UHFFFAOYSA-N -1 0 348.424 2.653 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC001324653373 1329648275 /nfs/dbraw/zinc/64/82/75/1329648275.db2.gz ZEFWQQCHTIUPDD-KOLCDFICSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)C(=O)[O-] ZINC001325379744 1329683883 /nfs/dbraw/zinc/68/38/83/1329683883.db2.gz NGYFMJGYMBVRMR-MRXNPFEDSA-N -1 0 345.439 2.788 20 30 EFEDRM C=C(C)CONC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001326452935 1329758288 /nfs/dbraw/zinc/75/82/88/1329758288.db2.gz NDEPSDSOPGPVOW-UHFFFAOYSA-N -1 0 336.417 2.826 20 30 EFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC001326884009 1330378921 /nfs/dbraw/zinc/37/89/21/1330378921.db2.gz BMBHHBBBUCCSQK-UHFFFAOYSA-N -1 0 346.393 2.665 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(COc2ccccc2OC)o1)C(=O)[O-] ZINC001327014041 1330399653 /nfs/dbraw/zinc/39/96/53/1330399653.db2.gz REMCTOZUHFSKTG-CYBMUJFWSA-N -1 0 345.351 2.626 20 30 EFEDRM C=CC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCOCC1)C(=O)[O-] ZINC001327014556 1330399660 /nfs/dbraw/zinc/39/96/60/1330399660.db2.gz YPAHYEJHNKDHIG-CQSZACIVSA-N -1 0 337.803 2.534 20 30 EFEDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)o1 ZINC001327939252 1330532199 /nfs/dbraw/zinc/53/21/99/1330532199.db2.gz JZENERISBFPCCV-UHFFFAOYSA-N -1 0 342.380 2.914 20 30 EFEDRM C=CC[C@H](NC(=O)NCCc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC001328170671 1330564915 /nfs/dbraw/zinc/56/49/15/1330564915.db2.gz RSJSAPXZJARGMW-HNNXBMFYSA-N -1 0 329.400 2.601 20 30 EFEDRM C=CC[C@@H](NC(=O)NCc1cc(Br)ccc1C)C(=O)[O-] ZINC001329229541 1330683331 /nfs/dbraw/zinc/68/33/31/1330683331.db2.gz CSFIACWBIXZWDE-GFCCVEGCSA-N -1 0 341.205 2.586 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cn3cccc3)cc2)CC1 ZINC001329997658 1330760200 /nfs/dbraw/zinc/76/02/00/1330760200.db2.gz AYVWVGKBSUDZSD-UHFFFAOYSA-N -1 0 344.436 2.705 20 30 EFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC001331436673 1330837413 /nfs/dbraw/zinc/83/74/13/1330837413.db2.gz JBWOJHNPUSBTJW-UHFFFAOYSA-N -1 0 332.425 2.950 20 30 EFEDRM CC#CC[C@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001333185136 1331090556 /nfs/dbraw/zinc/09/05/56/1331090556.db2.gz FZPRDVDQHSBRBX-HNNXBMFYSA-N -1 0 330.409 2.775 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C1CC(C)(C)C1 ZINC001338851174 1331747267 /nfs/dbraw/zinc/74/72/67/1331747267.db2.gz JKIPUUQHXKERPU-UHFFFAOYSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)c1cccc(C(C)C)c1 ZINC001339054847 1331779486 /nfs/dbraw/zinc/77/94/86/1331779486.db2.gz LTCFCUWCYCMGFB-UHFFFAOYSA-N -1 0 338.415 2.579 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001339567762 1331901333 /nfs/dbraw/zinc/90/13/33/1331901333.db2.gz PSIHZHOTIHWXHM-AAEUAGOBSA-N -1 0 341.371 2.591 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC001339753192 1331951249 /nfs/dbraw/zinc/95/12/49/1331951249.db2.gz DWMOFEIGTLYVLL-NSHDSACASA-N -1 0 332.278 2.779 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001340206895 1332153910 /nfs/dbraw/zinc/15/39/10/1332153910.db2.gz FAKLZJDGGMJFIY-RWMBFGLXSA-N -1 0 330.436 2.534 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]1C1CCC1 ZINC001340331940 1332175499 /nfs/dbraw/zinc/17/54/99/1332175499.db2.gz SVGRBFLFQAUVIS-HNNXBMFYSA-N -1 0 342.447 2.822 20 30 EFEDRM CCN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1Cc1ccccc1 ZINC001341385536 1332256281 /nfs/dbraw/zinc/25/62/81/1332256281.db2.gz UUUSFUXYUFCUFR-UHFFFAOYSA-N -1 0 348.410 2.812 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH]c(Br)c1 ZINC001341786386 1332284152 /nfs/dbraw/zinc/28/41/52/1332284152.db2.gz QLJANAZHQYFVSK-LLVKDONJSA-N -1 0 338.205 2.549 20 30 EFEDRM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1nc(N)c2ccccc2n1 ZINC001341804020 1332285486 /nfs/dbraw/zinc/28/54/86/1332285486.db2.gz HOAXHTWBVAORLL-LBPRGKRZSA-N -1 0 328.335 2.578 20 30 EFEDRM C=CCn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C1 ZINC001342098842 1332303996 /nfs/dbraw/zinc/30/39/96/1332303996.db2.gz CASZRMPSYDXTKI-NSHDSACASA-N -1 0 329.360 2.591 20 30 EFEDRM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nccn1C ZINC001342163623 1332312123 /nfs/dbraw/zinc/31/21/23/1332312123.db2.gz DITOEZWFKAOORH-OAHLLOKOSA-N -1 0 349.394 2.885 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@H]1C ZINC001342248633 1332323559 /nfs/dbraw/zinc/32/35/59/1332323559.db2.gz UMBNUOOULBKJKP-QWHCGFSZSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001342966967 1332337594 /nfs/dbraw/zinc/33/75/94/1332337594.db2.gz ONTGBCFVYSXKDL-GFCCVEGCSA-N -1 0 331.372 2.804 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)CC(C)(C)C ZINC001343006525 1332338973 /nfs/dbraw/zinc/33/89/73/1332338973.db2.gz CCMWXKBWQYDHAD-UHFFFAOYSA-N -1 0 332.452 2.926 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(C3CCC3)n2)c1 ZINC001343376988 1332347234 /nfs/dbraw/zinc/34/72/34/1332347234.db2.gz JATSYVKCKZMZSQ-AWEZNQCLSA-N -1 0 339.351 2.912 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(CC)cc2)n1 ZINC001344539292 1332462137 /nfs/dbraw/zinc/46/21/37/1332462137.db2.gz DFHMHRYURJFZFY-AWEZNQCLSA-N -1 0 339.420 2.997 20 30 EFEDRM O=C([O-])Cn1cc(C=NNCc2ccc(F)cc2)c2ccccc21 ZINC001344579750 1332464357 /nfs/dbraw/zinc/46/43/57/1332464357.db2.gz LMNJKIGVSVYXJB-UHFFFAOYSA-N -1 0 325.343 2.989 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C3CCC3)c2)c1 ZINC001344868757 1332489670 /nfs/dbraw/zinc/48/96/70/1332489670.db2.gz GAGYKVDEOVBUNW-QGZVFWFLSA-N -1 0 336.395 2.555 20 30 EFEDRM C=CCN(C)c1nnc(-c2ccc(Cl)cc2O)n1C[C@@H]1CCOC1 ZINC001345585255 1332551259 /nfs/dbraw/zinc/55/12/59/1332551259.db2.gz SWKABGQTLCNMNE-LBPRGKRZSA-N -1 0 348.834 2.963 20 30 EFEDRM CCc1ccccc1-n1cc(C([O-])=C(C#N)c2nccn2CC)nn1 ZINC001345646869 1332555017 /nfs/dbraw/zinc/55/50/17/1332555017.db2.gz PBXBXPMKMLULIM-AWEZNQCLSA-N -1 0 334.383 2.536 20 30 EFEDRM CCc1noc2ncc(C([O-])=C(C#N)c3ncc(Cl)n3C)cc12 ZINC001345642185 1332555361 /nfs/dbraw/zinc/55/53/61/1332555361.db2.gz HAFOLVAMHFQQND-JTQLQIEISA-N -1 0 329.747 2.662 20 30 EFEDRM C=CCN(C)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1CC1CC1 ZINC001345774181 1332572762 /nfs/dbraw/zinc/57/27/62/1332572762.db2.gz IMTIHFKZEXMPGL-UHFFFAOYSA-N -1 0 329.360 2.591 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2 ZINC001346121893 1332601033 /nfs/dbraw/zinc/60/10/33/1332601033.db2.gz NFXCIHXYXQUMJP-CQSZACIVSA-N -1 0 330.432 2.628 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)C(=O)[O-] ZINC001346313651 1332624618 /nfs/dbraw/zinc/62/46/18/1332624618.db2.gz YQTREKGPEMLCIR-IRXDYDNUSA-N -1 0 348.418 2.716 20 30 EFEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccnc2N(C)C)c1)C(=O)[O-] ZINC001346401464 1332635317 /nfs/dbraw/zinc/63/53/17/1332635317.db2.gz MKHFXSJFRGCFKO-WTNCMQEWSA-N -1 0 340.379 2.896 20 30 EFEDRM Cc1cc(Cl)nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC001346528237 1332653568 /nfs/dbraw/zinc/65/35/68/1332653568.db2.gz YNOKBNIJWCSTRM-LLVKDONJSA-N -1 0 329.791 2.851 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001346671421 1332670838 /nfs/dbraw/zinc/67/08/38/1332670838.db2.gz XDPINDHMVVSEQT-BFHYXJOUSA-N -1 0 344.463 2.924 20 30 EFEDRM Cn1nc2c(c1C([O-])=C(C#N)c1nc(-c3ccncc3)cs1)CCC2 ZINC001346797537 1332690475 /nfs/dbraw/zinc/69/04/75/1332690475.db2.gz NWJUSOPFIAFNSJ-CYBMUJFWSA-N -1 0 349.419 2.917 20 30 EFEDRM CC#CCNC(=O)c1cc(Br)cc(Br)c1[O-] ZINC001346852040 1332696262 /nfs/dbraw/zinc/69/62/62/1332696262.db2.gz RPJZUUZDTZJBSD-UHFFFAOYSA-N -1 0 347.006 2.670 20 30 EFEDRM C[C@H]1CCCCN1N=Cc1c(Br)cc(C(=O)[O-])n1C ZINC001347219459 1332725154 /nfs/dbraw/zinc/72/51/54/1332725154.db2.gz GOBGMFOAJNCLIR-VIFPVBQESA-N -1 0 328.210 2.694 20 30 EFEDRM CCn1ccnc1C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2)n1 ZINC001347337203 1332735746 /nfs/dbraw/zinc/73/57/46/1332735746.db2.gz DVMMVMPLYUPEJJ-HNNXBMFYSA-N -1 0 346.394 2.851 20 30 EFEDRM CCc1ncoc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001348314762 1332824257 /nfs/dbraw/zinc/82/42/57/1332824257.db2.gz AJMBKTOPUBHTLI-GFCCVEGCSA-N -1 0 331.759 2.529 20 30 EFEDRM C=CC[C@@H](NC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001348480489 1332841765 /nfs/dbraw/zinc/84/17/65/1332841765.db2.gz IFYJLPZWMQOOHH-ANYFNZRUSA-N -1 0 329.274 2.744 20 30 EFEDRM C=C(C)CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001349931984 1333015368 /nfs/dbraw/zinc/01/53/68/1333015368.db2.gz MGPWQWSVFFLILU-HNNXBMFYSA-N -1 0 347.411 2.961 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@H](CC)C1 ZINC001352013914 1333352204 /nfs/dbraw/zinc/35/22/04/1333352204.db2.gz XAQLBVQYJYRYMD-ZDUSSCGKSA-N -1 0 338.415 2.730 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CCC)CC1CC1 ZINC001352013244 1333352412 /nfs/dbraw/zinc/35/24/12/1333352412.db2.gz KANFQVYEFDXISN-UHFFFAOYSA-N -1 0 338.415 2.730 20 30 EFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000847635848 1334049293 /nfs/dbraw/zinc/04/92/93/1334049293.db2.gz NZXZUJDOTNNBAG-ZDUSSCGKSA-N -1 0 334.441 2.516 20 30 EFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2F)ccc1C#N ZINC001200810772 1334578573 /nfs/dbraw/zinc/57/85/73/1334578573.db2.gz NHBMDFZMAJCLOE-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@H]1CC(N=Nc2ncc(Br)cn2)CC[C@H]1C(=O)[O-] ZINC000848420139 1334714431 /nfs/dbraw/zinc/71/44/31/1334714431.db2.gz QNBQMGOUYWHGAE-OIBJUYFYSA-N -1 0 327.182 2.528 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC(C)(C)C[C@H]1C ZINC001355889050 1334898871 /nfs/dbraw/zinc/89/88/71/1334898871.db2.gz WKHCWSGKPQVLMO-GFCCVEGCSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC[C@@H]1C ZINC001356007365 1334929782 /nfs/dbraw/zinc/92/97/82/1334929782.db2.gz IQLQLVKZMZGZLS-NSHDSACASA-N -1 0 329.360 2.734 20 30 EFEDRM C=CCn1c(-c2cccc([O-])c2[N+](=O)[O-])nnc1N1CCC[C@H]1C ZINC001356007363 1334929896 /nfs/dbraw/zinc/92/98/96/1334929896.db2.gz IQLQLVKZMZGZLS-LLVKDONJSA-N -1 0 329.360 2.734 20 30 EFEDRM N#Cc1ccsc1NC(=O)COC(=O)c1ccc([O-])c(Cl)c1 ZINC000848950755 1335004086 /nfs/dbraw/zinc/00/40/86/1335004086.db2.gz ZKWWSFVAYLYNOE-UHFFFAOYSA-N -1 0 336.756 2.774 20 30 EFEDRM C=C(C)CN(CC)c1nnc(-c2c[n-]n(CC)c2=O)n1CC(=C)C ZINC001357159483 1335287128 /nfs/dbraw/zinc/28/71/28/1335287128.db2.gz JLOUDMBTHYPTEO-UHFFFAOYSA-N -1 0 330.436 2.846 20 30 EFEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)c3nccn3C)ccc2c1 ZINC001357598185 1335319574 /nfs/dbraw/zinc/31/95/74/1335319574.db2.gz CFJFQPNVMZVSSV-INIZCTEOSA-N -1 0 333.347 2.787 20 30 EFEDRM CC(C)c1ccc2c(c1)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)CCC2 ZINC001413883433 1335414323 /nfs/dbraw/zinc/41/43/23/1335414323.db2.gz BYXDPEDBQFKPLG-INIZCTEOSA-N -1 0 338.411 2.558 20 30 EFEDRM C=CCCSCCNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000849237842 1335574704 /nfs/dbraw/zinc/57/47/04/1335574704.db2.gz IWPWYRKMRIRUDY-CYBMUJFWSA-N -1 0 344.383 2.699 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(OC3CC3)c2F)C(=O)O1 ZINC000849241720 1335575241 /nfs/dbraw/zinc/57/52/41/1335575241.db2.gz LTRYREXNZIXMEQ-KQQSKNTNSA-N -1 0 330.311 2.595 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)cc1CC(=O)[O-] ZINC000849243368 1335576014 /nfs/dbraw/zinc/57/60/14/1335576014.db2.gz SEEBMESLXNQLRH-SREVYHEPSA-N -1 0 340.379 2.829 20 30 EFEDRM N#C[C@@H](CO)Cc1cccc(-c2ccccc2[C@@H](O)CC(=O)[O-])c1 ZINC000849475285 1335626159 /nfs/dbraw/zinc/62/61/59/1335626159.db2.gz KQYJLPCSDOCVAC-KSSFIOAISA-N -1 0 325.364 2.536 20 30 EFEDRM C=CC[C@H](NC(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000150076507 1335942880 /nfs/dbraw/zinc/94/28/80/1335942880.db2.gz VCSZEYAHPVZNHY-LBPRGKRZSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000150270284 1335944500 /nfs/dbraw/zinc/94/45/00/1335944500.db2.gz RNNMPGAKIPAIGD-SNVBAGLBSA-N -1 0 332.581 2.862 20 30 EFEDRM N#Cc1ccc(N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)nc1 ZINC001413896134 1335946315 /nfs/dbraw/zinc/94/63/15/1335946315.db2.gz WRPLGJWWVKHFCJ-ZDUSSCGKSA-N -1 0 346.312 2.695 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)OCc2cc(Cl)ccn2)cc1C#N ZINC001361296939 1335965620 /nfs/dbraw/zinc/96/56/20/1335965620.db2.gz PFDWPMSWHODNBP-UHFFFAOYSA-N -1 0 335.772 2.786 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCCc2cc(C)ccc2F)cc1C#N ZINC001361387110 1336045749 /nfs/dbraw/zinc/04/57/49/1336045749.db2.gz FVMMRTHGTOJUCT-UHFFFAOYSA-N -1 0 345.399 2.801 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2ccc(C(C)=O)cc2)cc1C#N ZINC001361609752 1336218799 /nfs/dbraw/zinc/21/87/99/1336218799.db2.gz NLOUKFVTZOSWSO-UHFFFAOYSA-N -1 0 341.392 2.860 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C)n(C(C)C)n2)cc1C#N ZINC001361630522 1336231118 /nfs/dbraw/zinc/23/11/18/1336231118.db2.gz RTSFSLSGEVYDCJ-UHFFFAOYSA-N -1 0 331.401 2.719 20 30 EFEDRM C[C@H](NC(=O)c1ncc(Br)cc1[O-])c1ccc(C#N)cc1 ZINC001361637213 1336236399 /nfs/dbraw/zinc/23/63/99/1336236399.db2.gz NCFNYKLZCIOTAS-VIFPVBQESA-N -1 0 346.184 2.912 20 30 EFEDRM COc1cccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1C ZINC001361813373 1336352299 /nfs/dbraw/zinc/35/22/99/1336352299.db2.gz ZWJPMSZUDONKCL-UHFFFAOYSA-N -1 0 343.408 2.628 20 30 EFEDRM N#Cc1cccc(N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC001363150106 1336806204 /nfs/dbraw/zinc/80/62/04/1336806204.db2.gz FOWCBBPVWCQMHB-CYBMUJFWSA-N -1 0 346.312 2.695 20 30 EFEDRM Cc1cc(C)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1Br ZINC001363641073 1336968443 /nfs/dbraw/zinc/96/84/43/1336968443.db2.gz JOWJORQMNNLMAE-UHFFFAOYSA-N -1 0 344.172 2.785 20 30 EFEDRM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C ZINC001364736852 1337200261 /nfs/dbraw/zinc/20/02/61/1337200261.db2.gz XKKNUZTUQXVVQN-BFVZDQMLSA-N -1 0 328.384 2.939 20 30 EFEDRM C=C(Cl)C[NH2+]C[C@]1(NC(=O)c2ncccc2O)CCCC[C@H]1C ZINC001373896704 1341193650 /nfs/dbraw/zinc/19/36/50/1341193650.db2.gz LCGAQCLEDRPPDQ-SJKOYZFVSA-N -1 0 337.851 2.808 20 30 EFEDRM C=C(Cl)C[NH2+]C[C@]1(NC(=O)c2ncccc2O)CCCC[C@@H]1C ZINC001373896713 1341193809 /nfs/dbraw/zinc/19/38/09/1341193809.db2.gz LCGAQCLEDRPPDQ-YVEFUNNKSA-N -1 0 337.851 2.808 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001414210240 1370092974 /nfs/dbraw/zinc/09/29/74/1370092974.db2.gz QIVCZHYGWASMJL-ZYHUDNBSSA-N -1 0 328.384 2.941 20 30 EFEDRM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001414210239 1370093087 /nfs/dbraw/zinc/09/30/87/1370093087.db2.gz QIVCZHYGWASMJL-PWSUYJOCSA-N -1 0 328.384 2.941 20 30 EFEDRM N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)cc(F)c3[O-])CCO2)c1 ZINC001417702763 1373164996 /nfs/dbraw/zinc/16/49/96/1373164996.db2.gz MELGFULZZSXADZ-MRXNPFEDSA-N -1 0 344.317 2.756 20 30 EFEDRM COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001418217912 1373773368 /nfs/dbraw/zinc/77/33/68/1373773368.db2.gz AXGJWPHYJNCYHX-UHFFFAOYSA-N -1 0 330.365 2.981 20 30 EFEDRM Cn1c(=O)[n-]c(SC2CCC(c3ccccc3)CC2)c(C#N)c1=O ZINC001421243675 1378336046 /nfs/dbraw/zinc/33/60/46/1378336046.db2.gz XWWCNRZUZDGBNG-UHFFFAOYSA-N -1 0 341.436 2.764 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(F)cc(C#N)c2)cc1C#N ZINC001438461745 1388625916 /nfs/dbraw/zinc/62/59/16/1388625916.db2.gz DZQQCSUAUOCJPM-UHFFFAOYSA-N -1 0 328.328 2.644 20 30 EFEDRM COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC001434333389 1387130725 /nfs/dbraw/zinc/13/07/25/1387130725.db2.gz NRHCHTWXKBYJSH-UHFFFAOYSA-N -1 0 336.347 2.643 20 30 EFEDRM N#CCOc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1 ZINC001440341485 1389547814 /nfs/dbraw/zinc/54/78/14/1389547814.db2.gz JPRDNPYJTQOMOI-UHFFFAOYSA-N -1 0 346.346 2.795 20 30 EFEDRM Cn1c(=O)[n-]c(N[C@H](CC2CCCC2)c2ccccc2)c(C#N)c1=O ZINC001458265255 1395434541 /nfs/dbraw/zinc/43/45/41/1395434541.db2.gz CRKYUWOHKLBZKX-MRXNPFEDSA-N -1 0 338.411 2.679 20 30 EFEDRM Cn1c(=O)[n-]c(N[C@@H](CC2CCCC2)c2ccccc2)c(C#N)c1=O ZINC001458265141 1395434765 /nfs/dbraw/zinc/43/47/65/1395434765.db2.gz CRKYUWOHKLBZKX-INIZCTEOSA-N -1 0 338.411 2.679 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C[C@@H](C)C#N)C3CC3)n2)c1 ZINC001466533204 1396760011 /nfs/dbraw/zinc/76/00/11/1396760011.db2.gz CGUSUNPEOVPAEK-LBPRGKRZSA-N -1 0 342.374 2.790 20 30 EFEDRM Cc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000735450664 1427251398 /nfs/dbraw/zinc/25/13/98/1427251398.db2.gz CAEICJSAAVFCJC-UHFFFAOYSA-N -1 0 341.375 2.828 20 30 EFEDRM C=CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735407893 1427696924 /nfs/dbraw/zinc/69/69/24/1427696924.db2.gz AJUJAMWUBRIDIM-UHFFFAOYSA-N -1 0 339.321 2.724 20 30 EFEDRM CC1(C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H]2CCCO[C@@H]21 ZINC000824784707 1428222359 /nfs/dbraw/zinc/22/23/59/1428222359.db2.gz ZOKSCVPQMGLAGC-ZANVPECISA-N -1 0 347.810 2.518 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(F)cc(F)cc21 ZINC000823505315 1428299224 /nfs/dbraw/zinc/29/92/24/1428299224.db2.gz ZWMUQQOYVLWHGN-CLTKARDFSA-N -1 0 346.318 2.865 20 30 EFEDRM Cn1cc(C=CC(=O)c2ccco2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359852 1428643983 /nfs/dbraw/zinc/64/39/83/1428643983.db2.gz RPDWEZNWTCJKNP-HJWRWDBZSA-N -1 0 346.350 2.756 20 30 EFEDRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1(C)C ZINC000735679566 1428647117 /nfs/dbraw/zinc/64/71/17/1428647117.db2.gz KQMHVLZTUACNEB-GJZGRUSLSA-N -1 0 336.399 2.915 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccnc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737503381 1428696054 /nfs/dbraw/zinc/69/60/54/1428696054.db2.gz VDHMUTQHSOQNDK-BQYQJAHWSA-N -1 0 334.383 2.522 20 30 EFEDRM Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1F ZINC000822202330 1428724483 /nfs/dbraw/zinc/72/44/83/1428724483.db2.gz VSZVBXGDSHBMSL-UHFFFAOYSA-N -1 0 340.293 2.577 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@H]2CN=Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001552448143 1414455588 /nfs/dbraw/zinc/45/55/88/1414455588.db2.gz QDJATPBXARLQSV-BBRMVZONSA-N -1 0 328.372 2.684 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@H]2CN=Nc2cccc(C(=O)[O-])c2)cn1 ZINC001552446879 1414455612 /nfs/dbraw/zinc/45/56/12/1414455612.db2.gz NQZLGVPZVCQGQI-BBRMVZONSA-N -1 0 328.372 2.684 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@H]2c2nccn2C)cccc1C(=O)[O-] ZINC001552452201 1414456748 /nfs/dbraw/zinc/45/67/48/1414456748.db2.gz CTGDYWMNPSHKHM-CZUORRHYSA-N -1 0 342.399 2.992 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@H]2c2ccnn2C)cccc1C(=O)[O-] ZINC001552453333 1414456899 /nfs/dbraw/zinc/45/68/99/1414456899.db2.gz LDJPVQVGAKXNRV-CXAGYDPISA-N -1 0 342.399 2.992 20 30 EFEDRM Cc1c(N=NC[C@H]2CCCO[C@H]2c2cnn(C)c2)cccc1C(=O)[O-] ZINC001552453405 1414456967 /nfs/dbraw/zinc/45/69/67/1414456967.db2.gz LMYYQSIUXDFBHP-CXAGYDPISA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@H]1CN=Nc1ccc(CC(=O)[O-])cc1 ZINC001552453835 1414457460 /nfs/dbraw/zinc/45/74/60/1414457460.db2.gz NAJOUDKKNPCCKQ-KSSFIOAISA-N -1 0 342.399 2.613 20 30 EFEDRM CCn1cc([C@H]2OCC[C@H]2CN=Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001552455310 1414457690 /nfs/dbraw/zinc/45/76/90/1414457690.db2.gz VUZMQYLQXSPFRZ-ZBEGNZNMSA-N -1 0 346.362 2.916 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552763677 1414550764 /nfs/dbraw/zinc/55/07/64/1414550764.db2.gz ZAIVWJPVCPETMU-ABAIWWIYSA-N -1 0 346.362 2.916 20 30 EFEDRM CCn1ccnc1[C@H]1OCC[C@H]1CN=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001552763683 1414550776 /nfs/dbraw/zinc/55/07/76/1414550776.db2.gz ZAIVWJPVCPETMU-NHYWBVRUSA-N -1 0 346.362 2.916 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823909722 1428895952 /nfs/dbraw/zinc/89/59/52/1428895952.db2.gz ONDPUISHUOWHCQ-UHFFFAOYSA-N -1 0 348.819 2.738 20 30 EFEDRM N#Cc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000826384975 1428926216 /nfs/dbraw/zinc/92/62/16/1428926216.db2.gz RVELCCZGXLDNOQ-UHFFFAOYSA-N -1 0 334.358 2.656 20 30 EFEDRM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000738361761 1428975887 /nfs/dbraw/zinc/97/58/87/1428975887.db2.gz ZYMYVHWFJOZRBZ-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2 ZINC000821849540 1429008245 /nfs/dbraw/zinc/00/82/45/1429008245.db2.gz LSKWUPGXYGHYOD-NTUHNPAUSA-N -1 0 348.362 2.706 20 30 EFEDRM C=C[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729838 1429030018 /nfs/dbraw/zinc/03/00/18/1429030018.db2.gz NLBIUWXWRYLUCV-GFCCVEGCSA-N -1 0 335.367 2.963 20 30 EFEDRM C[C@@H](Nc1c(C#N)nnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137565 1429098399 /nfs/dbraw/zinc/09/83/99/1429098399.db2.gz KXDFELARZDZHHW-LLVKDONJSA-N -1 0 342.366 2.855 20 30 EFEDRM Cc1c(Cl)cnc(NCc2cc(C#N)ccc2F)c1-c1nn[n-]n1 ZINC000826240455 1429109141 /nfs/dbraw/zinc/10/91/41/1429109141.db2.gz UCKAROOLBBRESG-UHFFFAOYSA-N -1 0 343.753 2.846 20 30 EFEDRM N#CC1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000737677339 1429131944 /nfs/dbraw/zinc/13/19/44/1429131944.db2.gz BYLHPXRULHWORS-UHFFFAOYSA-N -1 0 329.335 2.523 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H]3CCCc4cccc2c43)o1 ZINC000826323051 1429159924 /nfs/dbraw/zinc/15/99/24/1429159924.db2.gz NTIOXEKJMKXNDH-NSHDSACASA-N -1 0 335.371 2.803 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000735451421 1429302854 /nfs/dbraw/zinc/30/28/54/1429302854.db2.gz ZKTOGKQRJPZZHQ-VIFPVBQESA-N -1 0 340.309 2.710 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736444111 1429489785 /nfs/dbraw/zinc/48/97/85/1429489785.db2.gz CYCNFMCONQLFBQ-ZDUSSCGKSA-N -1 0 330.436 2.988 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccccc2C#N)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234230 1429503030 /nfs/dbraw/zinc/50/30/30/1429503030.db2.gz NEHITRJJZKINRH-HJWRWDBZSA-N -1 0 344.378 2.691 20 30 EFEDRM N#Cc1ccc(OCCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826385901 1423240240 /nfs/dbraw/zinc/24/02/40/1423240240.db2.gz GQXBETKHMHVCCR-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819765366 1423492139 /nfs/dbraw/zinc/49/21/39/1423492139.db2.gz PBNXVDOTFPJYQL-DHZHZOJOSA-N -1 0 348.341 2.919 20 30 EFEDRM COc1ccc(C=CC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000737081980 1429685617 /nfs/dbraw/zinc/68/56/17/1429685617.db2.gz SOYZSKYJUJNFLZ-ALCCZGGFSA-N -1 0 331.335 2.643 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1-c1nn[n-]n1 ZINC000737709984 1424130941 /nfs/dbraw/zinc/13/09/41/1424130941.db2.gz SWQUYCYNUSQIAQ-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819740257 1424615281 /nfs/dbraw/zinc/61/52/81/1424615281.db2.gz WNZIMQIXLZDVHS-UHFFFAOYSA-N -1 0 342.403 2.860 20 30 EFEDRM CN(C(=O)c1sccc1C#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574489 1424760273 /nfs/dbraw/zinc/76/02/73/1424760273.db2.gz IQNIZJKTORCFJE-UHFFFAOYSA-N -1 0 344.787 2.730 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000822923464 1424808128 /nfs/dbraw/zinc/80/81/28/1424808128.db2.gz SDYWUJMCAUIJCX-VOTSOKGWSA-N -1 0 339.286 2.810 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCO2 ZINC000822921921 1424916165 /nfs/dbraw/zinc/91/61/65/1424916165.db2.gz AIQSIYFMFRWNOM-RQOWECAXSA-N -1 0 326.337 2.553 20 30 EFEDRM CO[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821673432 1425053584 /nfs/dbraw/zinc/05/35/84/1425053584.db2.gz AYTBUACCOHGAEZ-QMMMGPOBSA-N -1 0 328.298 2.708 20 30 EFEDRM C=CCN(CCc1ccco1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823909535 1425064885 /nfs/dbraw/zinc/06/48/85/1425064885.db2.gz IDMHDTSPTBLWIF-UHFFFAOYSA-N -1 0 330.779 2.743 20 30 EFEDRM N#Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737722956 1425095254 /nfs/dbraw/zinc/09/52/54/1425095254.db2.gz ZOVUAPFOHODERK-UHFFFAOYSA-N -1 0 326.247 2.578 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735408225 1425101866 /nfs/dbraw/zinc/10/18/66/1425101866.db2.gz IJDLDLPRMIHFLX-UHFFFAOYSA-N -1 0 349.460 2.542 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(O)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201306 1425165384 /nfs/dbraw/zinc/16/53/84/1425165384.db2.gz CBQHRIHTRZIKHK-FPLPWBNLSA-N -1 0 335.367 2.525 20 30 EFEDRM Cc1ccc2ncc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)n2c1 ZINC000822280380 1425332989 /nfs/dbraw/zinc/33/29/89/1425332989.db2.gz LRIPRZYHOKGCAB-VOTSOKGWSA-N -1 0 330.351 2.719 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823894231 1425384864 /nfs/dbraw/zinc/38/48/64/1425384864.db2.gz LDLJHOZZHGJNAR-GFCCVEGCSA-N -1 0 331.445 2.820 20 30 EFEDRM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccnc(Cl)c1 ZINC000826400593 1425540539 /nfs/dbraw/zinc/54/05/39/1425540539.db2.gz CBBKIHAUOQBSRX-RQOWECAXSA-N -1 0 329.722 2.950 20 30 EFEDRM CC(C)(CCC#N)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824152988 1425635391 /nfs/dbraw/zinc/63/53/91/1425635391.db2.gz WUCHYZSIDZMBNP-INIZCTEOSA-N -1 0 340.431 2.570 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826256861 1425670902 /nfs/dbraw/zinc/67/09/02/1425670902.db2.gz CWGYOVQMVSEDNX-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(O)c(F)c1 ZINC000826476064 1425712900 /nfs/dbraw/zinc/71/29/00/1425712900.db2.gz ZZFIQYUNYOMODL-KPKJPENVSA-N -1 0 336.326 2.924 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822837388 1425762559 /nfs/dbraw/zinc/76/25/59/1425762559.db2.gz MHPPEQDLOCSLLJ-SOFGYWHQSA-N -1 0 349.325 2.634 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccnc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737503382 1425850008 /nfs/dbraw/zinc/85/00/08/1425850008.db2.gz VDHMUTQHSOQNDK-FPLPWBNLSA-N -1 0 334.383 2.522 20 30 EFEDRM Cc1ccc(F)cc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826289728 1425866446 /nfs/dbraw/zinc/86/64/46/1425866446.db2.gz KXDGJMADALMROR-UHFFFAOYSA-N -1 0 343.366 2.947 20 30 EFEDRM N#Cc1nccn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826387999 1425963334 /nfs/dbraw/zinc/96/33/34/1425963334.db2.gz DFZVDHBWHPQTPO-UHFFFAOYSA-N -1 0 327.351 2.650 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2O)o1 ZINC000820202403 1425983444 /nfs/dbraw/zinc/98/34/44/1425983444.db2.gz HPYQAUXLJPIKMD-UHFFFAOYSA-N -1 0 347.766 2.783 20 30 EFEDRM Fc1cc(F)cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826372635 1426061901 /nfs/dbraw/zinc/06/19/01/1426061901.db2.gz GFNQYBMRNUYKMY-UHFFFAOYSA-N -1 0 335.705 2.639 20 30 EFEDRM C=CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000735412440 1426090487 /nfs/dbraw/zinc/09/04/87/1426090487.db2.gz AUZXACCYVVOQNA-UHFFFAOYSA-N -1 0 327.344 2.682 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819743463 1426112921 /nfs/dbraw/zinc/11/29/21/1426112921.db2.gz KAGNRVTYZSICIR-UHFFFAOYSA-N -1 0 348.819 2.738 20 30 EFEDRM CN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736792879 1426174462 /nfs/dbraw/zinc/17/44/62/1426174462.db2.gz UBDFVRFZIUULNR-UHFFFAOYSA-N -1 0 347.382 2.596 20 30 EFEDRM FC(F)(F)c1cccc(NN=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000826368818 1426215356 /nfs/dbraw/zinc/21/53/56/1426215356.db2.gz CDUDMXWLRCEGDB-UHFFFAOYSA-N -1 0 333.277 2.727 20 30 EFEDRM N#C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccs1 ZINC000826379753 1426240179 /nfs/dbraw/zinc/24/01/79/1426240179.db2.gz AJBQJUOXDLZHPE-VIFPVBQESA-N -1 0 345.409 2.529 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@@H]3CC[C@H](C#N)C3)cc2[n-]c1=S ZINC000179949563 1426313783 /nfs/dbraw/zinc/31/37/83/1426313783.db2.gz BIIAHTMHFDUHLE-CMPLNLGQSA-N -1 0 343.408 2.554 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2[n-]c1=S ZINC000179949578 1426313991 /nfs/dbraw/zinc/31/39/91/1426313991.db2.gz BIIAHTMHFDUHLE-JQWIXIFHSA-N -1 0 343.408 2.554 20 30 EFEDRM CCc1c(C)sc(NC(=O)c2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC000821465951 1426440004 /nfs/dbraw/zinc/44/00/04/1426440004.db2.gz RUECRXAGVMWOBK-UHFFFAOYSA-N -1 0 344.425 2.985 20 30 EFEDRM C=CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735412639 1426553620 /nfs/dbraw/zinc/55/36/20/1426553620.db2.gz GHPSWLBGLMLEDH-UHFFFAOYSA-N -1 0 330.392 2.695 20 30 EFEDRM C=C[C@H](CC)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823883752 1426574842 /nfs/dbraw/zinc/57/48/42/1426574842.db2.gz ZPXNGQSDXLZQDD-CQSZACIVSA-N -1 0 330.388 2.924 20 30 EFEDRM C[C@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000824034647 1426609525 /nfs/dbraw/zinc/60/95/25/1426609525.db2.gz MOWFAIFRRRDQLE-SECBINFHSA-N -1 0 327.779 2.664 20 30 EFEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)nc2)o1 ZINC000820108526 1426662526 /nfs/dbraw/zinc/66/25/26/1426662526.db2.gz LZXYWWAWKVNEHD-UHFFFAOYSA-N -1 0 346.782 2.548 20 30 EFEDRM Cc1c(Cl)cnc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C#N ZINC000826240326 1426790976 /nfs/dbraw/zinc/79/09/76/1426790976.db2.gz NICLRBVOZODYPT-UHFFFAOYSA-N -1 0 343.753 2.846 20 30 EFEDRM CCc1nc2ccccc2n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821509450 1426812064 /nfs/dbraw/zinc/81/20/64/1426812064.db2.gz HGPPRQDTVHDEBZ-UHFFFAOYSA-N -1 0 335.346 2.800 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823838743 1426840776 /nfs/dbraw/zinc/84/07/76/1426840776.db2.gz TZAZDQGGTHYVHK-GFCCVEGCSA-N -1 0 334.335 2.838 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCOc1cccc(C#N)c1 ZINC000737221796 1426911480 /nfs/dbraw/zinc/91/14/80/1426911480.db2.gz OYLJXXIZCFLMET-UHFFFAOYSA-N -1 0 335.367 2.813 20 30 EFEDRM COc1cccc(F)c1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737131422 1426919758 /nfs/dbraw/zinc/91/97/58/1426919758.db2.gz CYNUPPQUBGLNPK-UHFFFAOYSA-N -1 0 326.335 2.851 20 30 EFEDRM C#CCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819698068 1426937055 /nfs/dbraw/zinc/93/70/55/1426937055.db2.gz REAGHXBMNGGMCG-UHFFFAOYSA-N -1 0 347.378 2.721 20 30 EFEDRM C[C@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612256 1426946672 /nfs/dbraw/zinc/94/66/72/1426946672.db2.gz LQVXLJNSHIMBPF-JTQLQIEISA-N -1 0 340.337 2.867 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822829782 1426973227 /nfs/dbraw/zinc/97/32/27/1426973227.db2.gz IWXISIUBPFOGGN-RHSMWYFYSA-N -1 0 344.378 2.556 20 30 EFEDRM N#CC1(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000826379907 1426982893 /nfs/dbraw/zinc/98/28/93/1426982893.db2.gz GRTNYPHPWOKXQP-CMDGGOBGSA-N -1 0 337.383 2.897 20 30 EFEDRM CCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000825632168 1427029799 /nfs/dbraw/zinc/02/97/99/1427029799.db2.gz MSWARIQQDLKFQX-UHFFFAOYSA-N -1 0 326.385 2.811 20 30 EFEDRM C=CCN(Cc1ncc(C2CC2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915330 1427036103 /nfs/dbraw/zinc/03/61/03/1427036103.db2.gz VDMPIBUXCXUDHX-UHFFFAOYSA-N -1 0 336.399 2.920 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccco1 ZINC000735419327 1427068921 /nfs/dbraw/zinc/06/89/21/1427068921.db2.gz RSYFSAFVLOLJHV-ZDUSSCGKSA-N -1 0 337.383 2.778 20 30 EFEDRM FC(F)C(Cc1ccccc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826369702 1427139133 /nfs/dbraw/zinc/13/91/33/1427139133.db2.gz NKVXZCYVWSIZOO-UHFFFAOYSA-N -1 0 342.353 2.820 20 30 EFEDRM C#CCCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735374414 1427182008 /nfs/dbraw/zinc/18/20/08/1427182008.db2.gz INOOYBVKKSPONS-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM C=CCC[C@@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823894501 1427184639 /nfs/dbraw/zinc/18/46/39/1427184639.db2.gz RPTGPXYRUNMLJV-CZUORRHYSA-N -1 0 341.415 2.733 20 30 EFEDRM Fc1ccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000822765964 1427316485 /nfs/dbraw/zinc/31/64/85/1427316485.db2.gz COLHQHYKNUVWTQ-UHFFFAOYSA-N -1 0 336.330 2.809 20 30 EFEDRM CSc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1F ZINC000737192918 1427366450 /nfs/dbraw/zinc/36/64/50/1427366450.db2.gz MFCWJNTVUSRTQU-UHFFFAOYSA-N -1 0 347.379 2.860 20 30 EFEDRM C=CCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823924923 1427468045 /nfs/dbraw/zinc/46/80/45/1427468045.db2.gz AGPHMCSNBXKVHM-UHFFFAOYSA-N -1 0 334.383 2.519 20 30 EFEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=C1COc2ccc(F)cc21 ZINC000823498211 1427739626 /nfs/dbraw/zinc/73/96/26/1427739626.db2.gz HEQFQSAFEUBACR-PEZBUJJGSA-N -1 0 348.337 2.981 20 30 EFEDRM Clc1ccc2ncc(C=NNc3ccc(-c4nn[n-]n4)cc3)n2c1 ZINC000737572745 1427870548 /nfs/dbraw/zinc/87/05/48/1427870548.db2.gz CKOCIWYVZGFRHN-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM C=CCCOCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823899160 1427889466 /nfs/dbraw/zinc/88/94/66/1427889466.db2.gz NZGNGODYMRDGDX-UHFFFAOYSA-N -1 0 327.310 2.890 20 30 EFEDRM CC(=NNc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963224 1427997602 /nfs/dbraw/zinc/99/76/02/1427997602.db2.gz YLUJRDMHHSMERN-UHFFFAOYSA-N -1 0 336.334 2.718 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823953579 1428056623 /nfs/dbraw/zinc/05/66/23/1428056623.db2.gz HUDKSOHOHLNOQC-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823894389 1428086761 /nfs/dbraw/zinc/08/67/61/1428086761.db2.gz PBXJFADELWNUQU-UHFFFAOYSA-N -1 0 349.460 2.542 20 30 EFEDRM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000822837905 1429852969 /nfs/dbraw/zinc/85/29/69/1429852969.db2.gz XWSRGXSNDLIRGU-CXUHLZMHSA-N -1 0 327.347 2.951 20 30 EFEDRM Cc1cccn2c(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cnc12 ZINC000737436052 1429927858 /nfs/dbraw/zinc/92/78/58/1429927858.db2.gz QSULMLVCPSNDHD-FPLPWBNLSA-N -1 0 330.351 2.719 20 30 EFEDRM Fc1cccc2c1CCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826377882 1429932661 /nfs/dbraw/zinc/93/26/61/1429932661.db2.gz KQYQAHBPIZKZTE-UHFFFAOYSA-N -1 0 343.753 2.817 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823899088 1429990329 /nfs/dbraw/zinc/99/03/29/1429990329.db2.gz KVERUWSVIYZENL-UHFFFAOYSA-N -1 0 333.367 2.707 20 30 EFEDRM C=C(C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000819723085 1430086857 /nfs/dbraw/zinc/08/68/57/1430086857.db2.gz XVVIQACHFSYCBU-UHFFFAOYSA-N -1 0 346.188 2.520 20 30 EFEDRM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819765368 1430098489 /nfs/dbraw/zinc/09/84/89/1430098489.db2.gz PBNXVDOTFPJYQL-FLIBITNWSA-N -1 0 348.341 2.919 20 30 EFEDRM N#Cc1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737719410 1430188941 /nfs/dbraw/zinc/18/89/41/1430188941.db2.gz UGBBTJPHHKYQLR-UHFFFAOYSA-N -1 0 346.394 2.786 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)c(F)c2)cc1-c1nn[n-]n1 ZINC000826190909 1430244963 /nfs/dbraw/zinc/24/49/63/1430244963.db2.gz QNRRIOXNPYKZCT-KXFIGUGUSA-N -1 0 349.325 2.782 20 30 EFEDRM CC(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000824371802 1441422183 /nfs/dbraw/zinc/42/21/83/1441422183.db2.gz SUNRWVKFGAFVAV-UTCJRWHESA-N -1 0 326.335 2.679 20 30 EFEDRM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819763698 1441426890 /nfs/dbraw/zinc/42/68/90/1441426890.db2.gz AKHREBGBPGASTM-FLIBITNWSA-N -1 0 348.341 2.919 20 30 EFEDRM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCc2ccccc21 ZINC000738289105 1441435209 /nfs/dbraw/zinc/43/52/09/1441435209.db2.gz GPQQQEMLOCUNGL-LCYFTJDESA-N -1 0 342.362 2.727 20 30 EFEDRM Cc1c(Cl)cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c1C#N ZINC000826240267 1441487860 /nfs/dbraw/zinc/48/78/60/1441487860.db2.gz KSZHEQANQDQRND-UHFFFAOYSA-N -1 0 343.753 2.846 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819688255 1441512577 /nfs/dbraw/zinc/51/25/77/1441512577.db2.gz DXJVNWNQZYYLNR-CYBMUJFWSA-N -1 0 348.362 2.624 20 30 EFEDRM CCc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736682164 1441540731 /nfs/dbraw/zinc/54/07/31/1441540731.db2.gz HHWOTOPDBJQWEK-UHFFFAOYSA-N -1 0 346.394 2.872 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825271048 1441558842 /nfs/dbraw/zinc/55/88/42/1441558842.db2.gz FYGDIJQPODFSRC-LBPRGKRZSA-N -1 0 348.451 2.818 20 30 EFEDRM Fc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822786107 1441594168 /nfs/dbraw/zinc/59/41/68/1441594168.db2.gz DKQPDQLJTQTHBN-UHFFFAOYSA-N -1 0 336.374 2.836 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716150 1441598328 /nfs/dbraw/zinc/59/83/28/1441598328.db2.gz LPBOWTRHMDRKBU-GOEBONIOSA-N -1 0 348.341 2.620 20 30 EFEDRM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821589539 1441681226 /nfs/dbraw/zinc/68/12/26/1441681226.db2.gz SAIGDJRUVRCKOB-VQHVLOKHSA-N -1 0 325.397 2.890 20 30 EFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cn1 ZINC000823962085 1441707076 /nfs/dbraw/zinc/70/70/76/1441707076.db2.gz DSWUKPOIKWHHMY-UHFFFAOYSA-N -1 0 344.354 2.522 20 30 EFEDRM C=CCC(CC=C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000819733742 1441761340 /nfs/dbraw/zinc/76/13/40/1441761340.db2.gz AZZQPTGMRKGQOD-UHFFFAOYSA-N -1 0 328.372 2.939 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822822761 1441792790 /nfs/dbraw/zinc/79/27/90/1441792790.db2.gz DWSKXRRLRGZPGY-DYVFJYSZSA-N -1 0 344.378 2.556 20 30 EFEDRM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735410053 1441845701 /nfs/dbraw/zinc/84/57/01/1441845701.db2.gz SIHQZRUBETYXAS-MRVPVSSYSA-N -1 0 338.318 2.554 20 30 EFEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826498047 1441863216 /nfs/dbraw/zinc/86/32/16/1441863216.db2.gz FMOPVGNQQXJJFP-UHFFFAOYSA-N -1 0 349.763 2.936 20 30 EFEDRM C[C@@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1 ZINC000736056267 1441877745 /nfs/dbraw/zinc/87/77/45/1441877745.db2.gz MPVRNVKKGXAYJY-JTQLQIEISA-N -1 0 337.412 2.611 20 30 EFEDRM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccccc1Oc1ccccc1 ZINC000826383094 1441921066 /nfs/dbraw/zinc/92/10/66/1441921066.db2.gz JZKYEBGQXNPKDE-UHFFFAOYSA-N -1 0 343.350 2.775 20 30 EFEDRM CCc1ccc(C=NOCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825704265 1441936326 /nfs/dbraw/zinc/93/63/26/1441936326.db2.gz FNKWCVZZKPZCKT-UHFFFAOYSA-N -1 0 337.383 2.988 20 30 EFEDRM N#Cc1c(-c2nn[n-]n2)ncn1Cc1sc2ccccc2c1Cl ZINC000826382921 1441994866 /nfs/dbraw/zinc/99/48/66/1441994866.db2.gz AVZMQADJEXLHSI-UHFFFAOYSA-N -1 0 341.787 2.851 20 30 EFEDRM O=C1C(=Cc2cccc3nccn32)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826475420 1442060316 /nfs/dbraw/zinc/06/03/16/1442060316.db2.gz FVNTXJIOGAWUAZ-ACCUITESSA-N -1 0 342.362 2.727 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736772236 1442085455 /nfs/dbraw/zinc/08/54/55/1442085455.db2.gz CTMUQEFCUOTMBX-ONNFQVAWSA-N -1 0 337.358 2.968 20 30 EFEDRM CC(C)(C#N)CCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000824058866 1442100867 /nfs/dbraw/zinc/10/08/67/1442100867.db2.gz GHODMHRAQZPSBF-UHFFFAOYSA-N -1 0 345.428 2.583 20 30 EFEDRM C=CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894616 1442111200 /nfs/dbraw/zinc/11/12/00/1442111200.db2.gz VCMSGCICFBNBJD-CHWSQXEVSA-N -1 0 330.388 2.922 20 30 EFEDRM C[C@H](C#N)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506418 1442120111 /nfs/dbraw/zinc/12/01/11/1442120111.db2.gz WKYARJSEPMSULV-GFCCVEGCSA-N -1 0 348.366 2.548 20 30 EFEDRM Cc1ccsc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737441617 1442127927 /nfs/dbraw/zinc/12/79/27/1442127927.db2.gz IAJJDSQHUXHYEC-ONEGZZNKSA-N -1 0 336.380 2.780 20 30 EFEDRM Cc1c(C(=O)C=Cc2cccc(C#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202988 1442176784 /nfs/dbraw/zinc/17/67/84/1442176784.db2.gz QISQZINKWNXCRO-BQYQJAHWSA-N -1 0 344.378 2.691 20 30 EFEDRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737318103 1442299054 /nfs/dbraw/zinc/29/90/54/1442299054.db2.gz SBSBGZKVQCYBMJ-UHFFFAOYSA-N -1 0 346.394 2.963 20 30 EFEDRM CC#CCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819766066 1442301588 /nfs/dbraw/zinc/30/15/88/1442301588.db2.gz UVPRAQDGEICKTD-UHFFFAOYSA-N -1 0 334.335 2.839 20 30 EFEDRM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820518418 1442328948 /nfs/dbraw/zinc/32/89/48/1442328948.db2.gz DHHGSAYTEWFBIN-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)O2 ZINC000826271959 1442352432 /nfs/dbraw/zinc/35/24/32/1442352432.db2.gz OZBDZXKBEOHGJY-NSIKDUERSA-N -1 0 338.298 2.636 20 30 EFEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000825480638 1442353291 /nfs/dbraw/zinc/35/32/91/1442353291.db2.gz DTUJUPKZFWEIAC-UHFFFAOYSA-N -1 0 349.398 2.791 20 30 EFEDRM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823838257 1442460054 /nfs/dbraw/zinc/46/00/54/1442460054.db2.gz MXKPIBAMDVGZDP-UHFFFAOYSA-N -1 0 327.388 2.786 20 30 EFEDRM C#CCCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735375354 1443213388 /nfs/dbraw/zinc/21/33/88/1443213388.db2.gz YJHRTBQMFGETOG-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM CCn1nc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000821566503 1443240659 /nfs/dbraw/zinc/24/06/59/1443240659.db2.gz HJWROXHRWCFEQP-WAYWQWQTSA-N -1 0 328.401 2.658 20 30 EFEDRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1(C)C ZINC000735679567 1443256405 /nfs/dbraw/zinc/25/64/05/1443256405.db2.gz KQMHVLZTUACNEB-HUUCEWRRSA-N -1 0 336.399 2.915 20 30 EFEDRM N#Cc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386179 1443257196 /nfs/dbraw/zinc/25/71/96/1443257196.db2.gz SLLIIAZKCJUEPT-AWEZNQCLSA-N -1 0 341.758 2.504 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820374860 1443335350 /nfs/dbraw/zinc/33/53/50/1443335350.db2.gz RVBHSCHWSAHWHH-LLVKDONJSA-N -1 0 333.355 2.621 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000826250052 1443390800 /nfs/dbraw/zinc/39/08/00/1443390800.db2.gz INDNJDXKQNWDDR-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM N#Cc1cc(NC(=O)c2cccc(F)c2Cl)ccc1-c1nn[n-]n1 ZINC000822822689 1443423187 /nfs/dbraw/zinc/42/31/87/1443423187.db2.gz BOVKLDHBYSHDIG-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391146 1443449760 /nfs/dbraw/zinc/44/97/60/1443449760.db2.gz NFTIZLKZEWUGGO-UHFFFAOYSA-N -1 0 345.406 2.834 20 30 EFEDRM CC(C)(C)c1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965835 1443450670 /nfs/dbraw/zinc/45/06/70/1443450670.db2.gz OSDKLHYOTSJYEF-UHFFFAOYSA-N -1 0 341.444 2.744 20 30 EFEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000820842851 1443488824 /nfs/dbraw/zinc/48/88/24/1443488824.db2.gz QKORJTVQOPYTBE-AWEZNQCLSA-N -1 0 335.371 2.555 20 30 EFEDRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1(C)C ZINC000735680825 1443616137 /nfs/dbraw/zinc/61/61/37/1443616137.db2.gz ZQJJEPBXWMOSJE-CABCVRRESA-N -1 0 336.399 2.915 20 30 EFEDRM N#C[C@H](COC(=O)c1cc(-c2nn[n-]n2)cs1)Cc1cccs1 ZINC000826380212 1443646193 /nfs/dbraw/zinc/64/61/93/1443646193.db2.gz RHXQOAIYKARUCU-SECBINFHSA-N -1 0 345.409 2.529 20 30 EFEDRM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820495692 1443716130 /nfs/dbraw/zinc/71/61/30/1443716130.db2.gz IZYDUTSYNNASNC-ZDUSSCGKSA-N -1 0 347.378 2.975 20 30 EFEDRM C[C@@H](C#N)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819857232 1443723378 /nfs/dbraw/zinc/72/33/78/1443723378.db2.gz PRJJBFWPALHQOM-LBPRGKRZSA-N -1 0 333.351 2.850 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380366 1443739921 /nfs/dbraw/zinc/73/99/21/1443739921.db2.gz XWJPOCSGQLHETM-UHFFFAOYSA-N -1 0 330.351 2.674 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)cc(F)cc21 ZINC000823504762 1443754958 /nfs/dbraw/zinc/75/49/58/1443754958.db2.gz UKRSTONKEMNBHL-LREOWRDNSA-N -1 0 346.318 2.865 20 30 EFEDRM CC(CCc1ccco1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824414088 1443759203 /nfs/dbraw/zinc/75/92/03/1443759203.db2.gz TYAOGJXPJYQJQX-UHFFFAOYSA-N -1 0 331.767 2.929 20 30 EFEDRM N#Cc1ccc(NC(=O)C=CSc2ccccc2)cc1-c1nn[n-]n1 ZINC000737716367 1443781796 /nfs/dbraw/zinc/78/17/96/1443781796.db2.gz QCGUSXZMLZMOOX-HJWRWDBZSA-N -1 0 348.391 2.983 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000735420290 1443821785 /nfs/dbraw/zinc/82/17/85/1443821785.db2.gz OFYPPCYNFKTGGW-CYBMUJFWSA-N -1 0 343.431 2.585 20 30 EFEDRM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401089 1443829643 /nfs/dbraw/zinc/82/96/43/1443829643.db2.gz PEVYYFBMGWUBRG-ORCRQEGFSA-N -1 0 336.326 2.837 20 30 EFEDRM C#CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823838236 1443890998 /nfs/dbraw/zinc/89/09/98/1443890998.db2.gz MOMCYLAHIUQYKK-KRWDZBQOSA-N -1 0 333.395 2.730 20 30 EFEDRM O=[N+]([O-])c1ccccc1C=CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823648292 1444003526 /nfs/dbraw/zinc/00/35/26/1444003526.db2.gz TXQRENGRESKKDH-OULJEYJISA-N -1 0 349.354 2.564 20 30 EFEDRM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000738361135 1446105360 /nfs/dbraw/zinc/10/53/60/1446105360.db2.gz VDDGHHPSWNTSAC-UHFFFAOYSA-N -1 0 343.734 2.874 20 30 EFEDRM N#Cc1ccc(OCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822833886 1446151363 /nfs/dbraw/zinc/15/13/63/1446151363.db2.gz ZEFTZHJMJBHHKG-UHFFFAOYSA-N -1 0 340.774 2.883 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837274 1446199298 /nfs/dbraw/zinc/19/92/98/1446199298.db2.gz ADFAQFFSMFBNHS-INIZCTEOSA-N -1 0 332.367 2.753 20 30 EFEDRM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cs1 ZINC000819976044 1446241477 /nfs/dbraw/zinc/24/14/77/1446241477.db2.gz JCTRNZWRAQMWEQ-UHFFFAOYSA-N -1 0 341.400 2.609 20 30 EFEDRM C=C(C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735399195 1446267272 /nfs/dbraw/zinc/26/72/72/1446267272.db2.gz QITMPZHLCZVDHP-UHFFFAOYSA-N -1 0 330.392 2.695 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CC(C)C ZINC000823910001 1446337254 /nfs/dbraw/zinc/33/72/54/1446337254.db2.gz VPTJEIPKPAWQBM-AWEZNQCLSA-N -1 0 342.447 2.999 20 30 EFEDRM COc1ccccc1C=CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821890324 1446354301 /nfs/dbraw/zinc/35/43/01/1446354301.db2.gz LZHPQVDRFWBXHY-UKQABGIESA-N -1 0 334.383 2.664 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819817356 1446354808 /nfs/dbraw/zinc/35/48/08/1446354808.db2.gz BUBMUOIUVRIWDD-ALCCZGGFSA-N -1 0 339.380 2.783 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1O ZINC000823954087 1446455613 /nfs/dbraw/zinc/45/56/13/1446455613.db2.gz YRGWKSDBDFTBHH-UHFFFAOYSA-N -1 0 347.741 2.596 20 30 EFEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCC#Cc1ccccc1 ZINC000822936201 1446494392 /nfs/dbraw/zinc/49/43/92/1446494392.db2.gz SRRBVMJSOODOFU-BUHFOSPRSA-N -1 0 344.374 2.865 20 30 EFEDRM C(=NNc1nccc2sccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000819718484 1446501510 /nfs/dbraw/zinc/50/15/10/1446501510.db2.gz JFKVCEUVNPFFOK-UHFFFAOYSA-N -1 0 327.398 2.984 20 30 EFEDRM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000735419343 1446575422 /nfs/dbraw/zinc/57/54/22/1446575422.db2.gz RYOOXQJWUVZTHP-LLVKDONJSA-N -1 0 347.419 2.687 20 30 EFEDRM O=C1c2cccc(O)c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475273 1446627814 /nfs/dbraw/zinc/62/78/14/1446627814.db2.gz ARUFJHOGYDTRNB-FLIBITNWSA-N -1 0 336.326 2.924 20 30 EFEDRM C#CCCCCCC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000823840766 1446645673 /nfs/dbraw/zinc/64/56/73/1446645673.db2.gz FKLJYWYKTXPIDR-AWEZNQCLSA-N -1 0 342.399 2.761 20 30 EFEDRM O=C1C(=Cc2cnn3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505119 1446659166 /nfs/dbraw/zinc/65/91/66/1446659166.db2.gz XJCXVGAWPJAABA-RAXLEYEMSA-N -1 0 342.362 2.727 20 30 EFEDRM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824730937 1446669686 /nfs/dbraw/zinc/66/96/86/1446669686.db2.gz RHWYEUYEJQEOKL-SECBINFHSA-N -1 0 325.353 2.718 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc3c(c2)CCO3)cc1-c1nn[n-]n1 ZINC000737080506 1446760659 /nfs/dbraw/zinc/76/06/59/1446760659.db2.gz BXPFHGIDKQQMMP-GORDUTHDSA-N -1 0 348.362 2.706 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000737472287 1446770087 /nfs/dbraw/zinc/77/00/87/1446770087.db2.gz YQOCHDRCGMVKQY-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM COc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826219719 1446792827 /nfs/dbraw/zinc/79/28/27/1446792827.db2.gz OGNXPPXFLZDQSB-UHFFFAOYSA-N -1 0 328.763 2.975 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)OCCCC ZINC000735420448 1446793698 /nfs/dbraw/zinc/79/36/98/1446793698.db2.gz PNXKEGQTSWWZIJ-CQSZACIVSA-N -1 0 343.431 2.587 20 30 EFEDRM Cc1cn(Cc2ccc(C#N)cc2Br)cc1-c1nn[n-]n1 ZINC000826316893 1446823568 /nfs/dbraw/zinc/82/35/68/1446823568.db2.gz DBYZRJFYTOTHDB-UHFFFAOYSA-N -1 0 343.188 2.659 20 30 EFEDRM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000735402450 1446864873 /nfs/dbraw/zinc/86/48/73/1446864873.db2.gz BCYZPUDWWCMHOP-UHFFFAOYSA-N -1 0 343.435 2.853 20 30 EFEDRM C#CCOc1ccc(F)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000819709792 1446906260 /nfs/dbraw/zinc/90/62/60/1446906260.db2.gz PJKIJTDWOHSEHK-UHFFFAOYSA-N -1 0 329.360 2.691 20 30 EFEDRM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1F ZINC000821413280 1446913990 /nfs/dbraw/zinc/91/39/90/1446913990.db2.gz ZBBIEVDSKWXQMB-UHFFFAOYSA-N -1 0 338.346 2.888 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccnc(Cl)c1 ZINC000826400397 1447013820 /nfs/dbraw/zinc/01/38/20/1447013820.db2.gz YIICQJQKTYDCAS-ONEGZZNKSA-N -1 0 329.722 2.950 20 30 EFEDRM C=C(C)CCOC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000819723013 1447023154 /nfs/dbraw/zinc/02/31/54/1447023154.db2.gz UMIBBQBMXFVWCQ-HNNXBMFYSA-N -1 0 330.388 2.780 20 30 EFEDRM CCc1cnccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825736267 1447145654 /nfs/dbraw/zinc/14/56/54/1447145654.db2.gz YHIJINXWORDPOA-UHFFFAOYSA-N -1 0 340.391 2.772 20 30 EFEDRM C=CCOCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819751210 1447202323 /nfs/dbraw/zinc/20/23/23/1447202323.db2.gz SMSVLEWZIFQHND-AWEZNQCLSA-N -1 0 343.431 2.759 20 30 EFEDRM N#Cc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccn1 ZINC000826383548 1447274735 /nfs/dbraw/zinc/27/47/35/1447274735.db2.gz GIAOPNCJTIAVGO-UHFFFAOYSA-N -1 0 345.288 2.764 20 30 EFEDRM N#C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380185 1447326195 /nfs/dbraw/zinc/32/61/95/1447326195.db2.gz QIKNTTWTNCZXNH-BLIJAFNYSA-N -1 0 337.383 2.896 20 30 EFEDRM C[C@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612276 1449183489 /nfs/dbraw/zinc/18/34/89/1449183489.db2.gz LWPZCTWIUULPLQ-JTQLQIEISA-N -1 0 340.337 2.867 20 30 EFEDRM CCN(CC#N)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825394442 1449200809 /nfs/dbraw/zinc/20/08/09/1449200809.db2.gz CZKPYUQDFJEEPL-UHFFFAOYSA-N -1 0 348.366 2.645 20 30 EFEDRM C=C(C)[C@@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000823874759 1449406688 /nfs/dbraw/zinc/40/66/88/1449406688.db2.gz YQFBAKMZUMPBNL-SECBINFHSA-N -1 0 345.350 2.618 20 30 EFEDRM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(F)c1 ZINC000735551743 1449413956 /nfs/dbraw/zinc/41/39/56/1449413956.db2.gz SXCWSMXPGIGPTO-SNVBAGLBSA-N -1 0 336.330 2.620 20 30 EFEDRM C#CCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823844624 1449474379 /nfs/dbraw/zinc/47/43/79/1449474379.db2.gz DOTCDWGXLMABSV-UHFFFAOYSA-N -1 0 334.335 2.839 20 30 EFEDRM N#Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000737719118 1449591875 /nfs/dbraw/zinc/59/18/75/1449591875.db2.gz OWWZDPBUSINLLY-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM COc1ccc2c(c1)OC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821849962 1449723013 /nfs/dbraw/zinc/72/30/13/1449723013.db2.gz UHUKAWGUUDBJMT-CHHVJCJISA-N -1 0 338.298 2.631 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822240874 1449883679 /nfs/dbraw/zinc/88/36/79/1449883679.db2.gz CIKCTIBESKKIMU-UHFFFAOYSA-N -1 0 346.394 2.665 20 30 EFEDRM C#CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838792 1449980755 /nfs/dbraw/zinc/98/07/55/1449980755.db2.gz UXHQWPRKHKZUCH-HNNXBMFYSA-N -1 0 334.339 2.951 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)ccc(F)c21 ZINC000826475896 1450086280 /nfs/dbraw/zinc/08/62/80/1450086280.db2.gz VLMBVAKYSUSQGR-CLTKARDFSA-N -1 0 346.318 2.865 20 30 EFEDRM C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894597 1450140055 /nfs/dbraw/zinc/14/00/55/1450140055.db2.gz UNTKDRFGIHMGJK-STQMWFEESA-N -1 0 328.420 2.972 20 30 EFEDRM Cc1nc(C)c(C#N)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000822427247 1450187174 /nfs/dbraw/zinc/18/71/74/1450187174.db2.gz GMNXAXCYEXICAH-UHFFFAOYSA-N -1 0 341.375 2.577 20 30 EFEDRM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)cccc21 ZINC000823504722 1450233833 /nfs/dbraw/zinc/23/38/33/1450233833.db2.gz SZTSUTLRPTWWCX-YWEYNIOJSA-N -1 0 328.328 2.726 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SCCCCC(F)(F)F)nc1N ZINC000826383722 1450279856 /nfs/dbraw/zinc/27/98/56/1450279856.db2.gz NHBRAWOCFULFKQ-UHFFFAOYSA-N -1 0 343.338 2.540 20 30 EFEDRM C#CCOc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735381301 1450314274 /nfs/dbraw/zinc/31/42/74/1450314274.db2.gz SQYMBHQOPOFJFF-UHFFFAOYSA-N -1 0 334.339 2.523 20 30 EFEDRM COc1cccc2c1CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826217857 1450365293 /nfs/dbraw/zinc/36/52/93/1450365293.db2.gz FRQUJYDRCFJFBK-XFFZJAGNSA-N -1 0 336.326 2.837 20 30 EFEDRM C[C@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000824779887 1450380160 /nfs/dbraw/zinc/38/01/60/1450380160.db2.gz XVBJTNXBKUDZLR-MRXNPFEDSA-N -1 0 348.357 2.594 20 30 EFEDRM CCCCCCCCCC=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000736448072 1450423056 /nfs/dbraw/zinc/42/30/56/1450423056.db2.gz JLJVKDAXWKAVPR-WOLCWHLNSA-N -1 0 335.452 2.797 20 30 EFEDRM N#Cc1c(F)cccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826383351 1450437402 /nfs/dbraw/zinc/43/74/02/1450437402.db2.gz WPNAAVINGINRLZ-UHFFFAOYSA-N -1 0 339.330 2.725 20 30 EFEDRM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401278 1450441575 /nfs/dbraw/zinc/44/15/75/1450441575.db2.gz UMIKXLQUSODWOB-KTAJNNJTSA-N -1 0 329.722 2.950 20 30 EFEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962922 1450494536 /nfs/dbraw/zinc/49/45/36/1450494536.db2.gz RXQGSJFYOLNWGP-UHFFFAOYSA-N -1 0 329.345 2.673 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc(Cl)cs2)o1 ZINC000824352435 1450522310 /nfs/dbraw/zinc/52/23/10/1450522310.db2.gz DCZFYSNJTLTFQC-UHFFFAOYSA-N -1 0 338.784 2.534 20 30 EFEDRM CC(C)S(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC000049417923 712904635 /nfs/dbraw/zinc/90/46/35/712904635.db2.gz UDOXAHXKZGYSKJ-UHFFFAOYSA-N -1 0 336.207 2.523 20 30 EFEDRM COC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOCC1 ZINC000160183558 712914788 /nfs/dbraw/zinc/91/47/88/712914788.db2.gz NHOYFQAMCQHOEF-LZYBPNLTSA-N -1 0 328.752 2.568 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000120236822 713025674 /nfs/dbraw/zinc/02/56/74/713025674.db2.gz RZFVJSVZWOQPTL-KRWDZBQOSA-N -1 0 335.363 2.819 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000187542816 713174863 /nfs/dbraw/zinc/17/48/63/713174863.db2.gz KJRQGOOBVFOMEM-GOSISDBHSA-N -1 0 347.436 2.874 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cnn(C)c1 ZINC000120980192 713638977 /nfs/dbraw/zinc/63/89/77/713638977.db2.gz FRXBLOQXABAWTI-OAHLLOKOSA-N -1 0 334.379 2.734 20 30 EFEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1 ZINC000121018155 713712247 /nfs/dbraw/zinc/71/22/47/713712247.db2.gz YLCXCRRFYVLYCB-HNNXBMFYSA-N -1 0 345.358 2.781 20 30 EFEDRM CC(C)c1c(C(=O)[N-]S(C)(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000048487040 713794934 /nfs/dbraw/zinc/79/49/34/713794934.db2.gz LQLXMCUUWOXPAH-UHFFFAOYSA-N -1 0 341.820 2.913 20 30 EFEDRM CN1C(=O)CCc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000255142013 713890632 /nfs/dbraw/zinc/89/06/32/713890632.db2.gz CHHISOHTNBMWAN-UHFFFAOYSA-N -1 0 325.324 2.960 20 30 EFEDRM Cc1sc(Cl)nc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000892490978 717950178 /nfs/dbraw/zinc/95/01/78/717950178.db2.gz ASXQHSREJVGUAX-SNVBAGLBSA-N -1 0 325.821 2.876 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc2c(c1)COC2 ZINC000050204979 714193470 /nfs/dbraw/zinc/19/34/70/714193470.db2.gz KSBCTEHIIZJIRY-UHFFFAOYSA-N -1 0 335.356 2.691 20 30 EFEDRM Cc1ccc(Oc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc2)nc1 ZINC000892497038 717967710 /nfs/dbraw/zinc/96/77/10/717967710.db2.gz VCTPWRZCFXFHKX-INIZCTEOSA-N -1 0 335.363 2.783 20 30 EFEDRM CCN(Cc1ccccc1)C(=O)C/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000255283325 714490486 /nfs/dbraw/zinc/49/04/86/714490486.db2.gz VZGOIYVSDGZLRN-ODLFYWEKSA-N -1 0 341.367 2.768 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)(C)C)nn2C)cc1 ZINC000069522484 714556154 /nfs/dbraw/zinc/55/61/54/714556154.db2.gz XBCCBOLVBQNYCK-UHFFFAOYSA-N -1 0 335.429 2.720 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000160957715 714652963 /nfs/dbraw/zinc/65/29/63/714652963.db2.gz GFGNXQRCNZLDJD-UHFFFAOYSA-N -1 0 348.331 2.694 20 30 EFEDRM Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1Br ZINC000255330582 714677541 /nfs/dbraw/zinc/67/75/41/714677541.db2.gz ZYYCMMZKGALKKD-YVACAVLKSA-N -1 0 349.180 2.986 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1 ZINC000121446944 714745719 /nfs/dbraw/zinc/74/57/19/714745719.db2.gz OHFJANAHEPKLJE-GFCCVEGCSA-N -1 0 336.457 2.911 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnc1Cl ZINC000161015609 714758533 /nfs/dbraw/zinc/75/85/33/714758533.db2.gz JFPZXFCYOQFKGD-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000066002474 718022901 /nfs/dbraw/zinc/02/29/01/718022901.db2.gz QVBJBMBSWDRIEI-ZDUSSCGKSA-N -1 0 344.389 2.672 20 30 EFEDRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000065042172 715038838 /nfs/dbraw/zinc/03/88/38/715038838.db2.gz PJFONGLSZUNSPK-UHFFFAOYSA-N -1 0 336.438 2.888 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1occc1Br ZINC000176090189 715051530 /nfs/dbraw/zinc/05/15/30/715051530.db2.gz JKHGYEYPOWSUGP-LLVKDONJSA-N -1 0 347.168 2.681 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000119926410 715338263 /nfs/dbraw/zinc/33/82/63/715338263.db2.gz OYAKJNLXQOOWPF-QGZVFWFLSA-N -1 0 344.374 2.608 20 30 EFEDRM Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000124522404 715431293 /nfs/dbraw/zinc/43/12/93/715431293.db2.gz KLRINLJKQKXXCE-CQSZACIVSA-N -1 0 342.420 2.616 20 30 EFEDRM CCCCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OC ZINC000124453644 715440315 /nfs/dbraw/zinc/44/03/15/715440315.db2.gz GESNKRJHAGDLRU-OAHLLOKOSA-N -1 0 344.411 2.819 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1 ZINC000124727026 715463607 /nfs/dbraw/zinc/46/36/07/715463607.db2.gz YOIVIUIOXZBEGS-JTQLQIEISA-N -1 0 328.821 2.707 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C)n2)C1=O ZINC000124801494 715475846 /nfs/dbraw/zinc/47/58/46/715475846.db2.gz XRVYKSXDIOWHKB-GOSISDBHSA-N -1 0 346.431 2.706 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000780476941 715782486 /nfs/dbraw/zinc/78/24/86/715782486.db2.gz RPJZCPVTPDRUKN-UHFFFAOYSA-N -1 0 337.441 2.862 20 30 EFEDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000051897298 715803268 /nfs/dbraw/zinc/80/32/68/715803268.db2.gz SDRCKOCDUNBLFS-UHFFFAOYSA-N -1 0 346.380 2.986 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(F)c1 ZINC000125498507 715846172 /nfs/dbraw/zinc/84/61/72/715846172.db2.gz OSCHUHKKKAIJRF-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1C ZINC000125047877 715899847 /nfs/dbraw/zinc/89/98/47/715899847.db2.gz ALYKKHVMQUKMKA-LLVKDONJSA-N -1 0 348.399 2.824 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1Cl ZINC000178807695 716041909 /nfs/dbraw/zinc/04/19/09/716041909.db2.gz DPZXCVOOTVLLHD-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000135424410 716362565 /nfs/dbraw/zinc/36/25/65/716362565.db2.gz NCOPCJSACYVFNW-SNVBAGLBSA-N -1 0 349.811 2.574 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000065642877 716432741 /nfs/dbraw/zinc/43/27/41/716432741.db2.gz SLDFPAMHANGJFF-UHFFFAOYSA-N -1 0 326.355 2.658 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000052771762 716584659 /nfs/dbraw/zinc/58/46/59/716584659.db2.gz VMEDAXVSXVJLON-ZJUUUORDSA-N -1 0 328.356 2.652 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)C1(c2cccc(F)c2)CCC1 ZINC000052772793 716586959 /nfs/dbraw/zinc/58/69/59/716586959.db2.gz UJGMMHDJZREBPT-UHFFFAOYSA-N -1 0 326.393 2.545 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1 ZINC000125577006 716607873 /nfs/dbraw/zinc/60/78/73/716607873.db2.gz LIXAQCDXSUNZJY-CQSZACIVSA-N -1 0 332.400 2.723 20 30 EFEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)N2CCCCC2)s1 ZINC000052794456 716610469 /nfs/dbraw/zinc/61/04/69/716610469.db2.gz UYMFWAYOISZKBT-UHFFFAOYSA-N -1 0 344.458 2.707 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000052795033 716611053 /nfs/dbraw/zinc/61/10/53/716611053.db2.gz QKBFYNQAXKHKFP-KGLIPLIRSA-N -1 0 326.393 2.616 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000052795037 716611111 /nfs/dbraw/zinc/61/11/11/716611111.db2.gz QKBFYNQAXKHKFP-ZIAGYGMSSA-N -1 0 326.393 2.616 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cccc(-c3cccnc3)c2)C(=O)O1 ZINC000255668941 717377655 /nfs/dbraw/zinc/37/76/55/717377655.db2.gz YWAXQNBITZKLPB-FQQSSWHASA-N -1 0 333.343 2.977 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c2ccccc12 ZINC000255772659 717620360 /nfs/dbraw/zinc/62/03/60/717620360.db2.gz LJMANJCNYAHQLR-CLFYSBASSA-N -1 0 336.347 2.544 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C(O)C=Cc1nc2ccccc2s1 ZINC000255844780 717839284 /nfs/dbraw/zinc/83/92/84/717839284.db2.gz JQBRRNFJWQZMBT-ZADCQDASSA-N -1 0 336.376 2.635 20 30 EFEDRM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000179735350 717860080 /nfs/dbraw/zinc/86/00/80/717860080.db2.gz IUIXRCOSPXCHBD-KRWDZBQOSA-N -1 0 349.390 2.702 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000177598237 718119998 /nfs/dbraw/zinc/11/99/98/718119998.db2.gz GEQHKYVHBOQJTK-HNNXBMFYSA-N -1 0 343.383 2.929 20 30 EFEDRM Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000177684467 718164924 /nfs/dbraw/zinc/16/49/24/718164924.db2.gz FRDCZWJMOZCUBZ-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000066520009 718241659 /nfs/dbraw/zinc/24/16/59/718241659.db2.gz VWFUDJLIZUNAAB-UHFFFAOYSA-N -1 0 342.417 2.994 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)c(F)c2)C(=O)O1 ZINC000255905715 718341714 /nfs/dbraw/zinc/34/17/14/718341714.db2.gz UPZULCNWSKEOLI-CTGSTSKSSA-N -1 0 340.253 2.655 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1cccc(OC2CCCC2)c1 ZINC000066729878 718798550 /nfs/dbraw/zinc/79/85/50/718798550.db2.gz FUMVNIGNJWFLFU-UHFFFAOYSA-N -1 0 338.429 2.653 20 30 EFEDRM O=C(/C=C/c1cccc2c1OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000178542277 719051838 /nfs/dbraw/zinc/05/18/38/719051838.db2.gz FKWTTYXIZWFETH-GQCTYLIASA-N -1 0 327.292 2.968 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC1 ZINC000892843553 719228278 /nfs/dbraw/zinc/22/82/78/719228278.db2.gz BKFCXOQCOWRQEQ-UHFFFAOYSA-N -1 0 348.468 2.620 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000314355695 719392332 /nfs/dbraw/zinc/39/23/32/719392332.db2.gz NEUQPPYOQITGFT-UHFFFAOYSA-N -1 0 325.752 2.741 20 30 EFEDRM C[C@H](CSc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122634217 719575193 /nfs/dbraw/zinc/57/51/93/719575193.db2.gz HULUGOPFZGHACH-TZMCWYRMSA-N -1 0 327.409 2.740 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1c(Cl)c2ccccc2n1C ZINC000122658811 719611089 /nfs/dbraw/zinc/61/10/89/719611089.db2.gz JVNVXIOLLUJTDC-LLVKDONJSA-N -1 0 340.770 2.771 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122674819 719658260 /nfs/dbraw/zinc/65/82/60/719658260.db2.gz HJOLTYULIARFNQ-AWEZNQCLSA-N -1 0 328.368 2.525 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000162309380 719895784 /nfs/dbraw/zinc/89/57/84/719895784.db2.gz QMOOKQXBPSBDRO-UHFFFAOYSA-N -1 0 331.353 2.588 20 30 EFEDRM CCCCCOc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181286379 720018318 /nfs/dbraw/zinc/01/83/18/720018318.db2.gz NBCGQKJUPWTISQ-UHFFFAOYSA-N -1 0 338.429 2.619 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)n2)cc1 ZINC000035678993 720047100 /nfs/dbraw/zinc/04/71/00/720047100.db2.gz ZZJOBVIVUUZCEF-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)OCC ZINC000909627444 724646567 /nfs/dbraw/zinc/64/65/67/724646567.db2.gz VHGOFYAQTKZADQ-BBWFWOEESA-N -1 0 331.412 2.685 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1Cl ZINC000162337246 720471924 /nfs/dbraw/zinc/47/19/24/720471924.db2.gz NVWUVHATKMHVNE-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123851246 720865794 /nfs/dbraw/zinc/86/57/94/720865794.db2.gz AGTLGVJOKXEAQQ-LLVKDONJSA-N -1 0 330.693 2.960 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000046927701 720906251 /nfs/dbraw/zinc/90/62/51/720906251.db2.gz HXGDBXLCTNIAPX-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000086054341 720915576 /nfs/dbraw/zinc/91/55/76/720915576.db2.gz ZSXCQSDYGQQHNT-UHFFFAOYSA-N -1 0 336.413 2.612 20 30 EFEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1 ZINC000126272366 721007295 /nfs/dbraw/zinc/00/72/95/721007295.db2.gz FSEQCCFDJTYXDC-GFCCVEGCSA-N -1 0 343.408 2.666 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2nc(C)cs2)c1 ZINC000124042307 721253105 /nfs/dbraw/zinc/25/31/05/721253105.db2.gz RIUGZBQVXOUGOQ-AWEZNQCLSA-N -1 0 325.393 2.743 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc2c1CC[C@@H](C)C2 ZINC000124204362 721413201 /nfs/dbraw/zinc/41/32/01/721413201.db2.gz MRFPKXREEJZVAV-OCCSQVGLSA-N -1 0 348.468 2.738 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)c1C ZINC000124237459 721436689 /nfs/dbraw/zinc/43/66/89/721436689.db2.gz UORLPPITSFWTQW-MRXNPFEDSA-N -1 0 333.432 2.551 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000179788943 724771564 /nfs/dbraw/zinc/77/15/64/724771564.db2.gz LDUBKGUTXRXSFR-CYBMUJFWSA-N -1 0 345.468 2.936 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCc2nnc3ccccn32)c1[O-] ZINC000017309535 722635017 /nfs/dbraw/zinc/63/50/17/722635017.db2.gz YOQKAIFFABKOFT-RQZCQDPDSA-N -1 0 345.746 2.658 20 30 EFEDRM Cc1cc(-n2c(C)cc(C=NNc3[n-]cnc4ncnc3-4)c2C)no1 ZINC000917556114 728759919 /nfs/dbraw/zinc/75/99/19/728759919.db2.gz UDOHWBDRITVING-UHFFFAOYSA-N -1 0 336.359 2.503 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000126631870 722689148 /nfs/dbraw/zinc/68/91/48/722689148.db2.gz GVPIJCVUMZPNCB-HNNXBMFYSA-N -1 0 337.335 2.542 20 30 EFEDRM COC(=O)COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000917558141 728757124 /nfs/dbraw/zinc/75/71/24/728757124.db2.gz IGXYWESXXCBURJ-UHFFFAOYSA-N -1 0 344.323 2.911 20 30 EFEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(N3CCOCC3)c2)c1 ZINC000917558762 728757136 /nfs/dbraw/zinc/75/71/36/728757136.db2.gz XQRYLNMHDYDISO-UHFFFAOYSA-N -1 0 327.340 2.888 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000126674854 722864975 /nfs/dbraw/zinc/86/49/75/722864975.db2.gz FHLYXUDQYRZROW-OAHLLOKOSA-N -1 0 337.335 2.542 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])cc1Cl ZINC000917731714 728780646 /nfs/dbraw/zinc/78/06/46/728780646.db2.gz YCFAQOZGXVNQFM-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(OC)c1 ZINC000262106637 723193851 /nfs/dbraw/zinc/19/38/51/723193851.db2.gz FAJGJXNGQJVPPJ-ZDUSSCGKSA-N -1 0 347.411 2.514 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCC ZINC000909441503 723240751 /nfs/dbraw/zinc/24/07/51/723240751.db2.gz CRMGERFTSPWAFX-IRXDYDNUSA-N -1 0 344.411 2.651 20 30 EFEDRM N#Cc1c(C#N)c(N2CCC(C(=O)[O-])CC2)nc2c1CCCCCC2 ZINC000262129386 723324838 /nfs/dbraw/zinc/32/48/38/723324838.db2.gz NOQWJMLGHVSYDK-UHFFFAOYSA-N -1 0 338.411 2.785 20 30 EFEDRM COc1ccc(CN=c2[n-]nc(C)n2C2CC2)cc1OCCCC#N ZINC000340694057 723345884 /nfs/dbraw/zinc/34/58/84/723345884.db2.gz ACJKZETVVGZVHD-UHFFFAOYSA-N -1 0 341.415 2.647 20 30 EFEDRM COC(=O)c1ccc([O-])c(C=NNc2cccc([N+](=O)[O-])c2C)c1 ZINC000727973679 723542584 /nfs/dbraw/zinc/54/25/84/723542584.db2.gz WJVUSMGDAYEMKH-UHFFFAOYSA-N -1 0 329.312 2.841 20 30 EFEDRM CCn1nc(C)c(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c1C ZINC000727976183 723545984 /nfs/dbraw/zinc/54/59/84/723545984.db2.gz NDEVHDHYHYWGNC-HJWRWDBZSA-N -1 0 328.368 2.879 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007428302 723594698 /nfs/dbraw/zinc/59/46/98/723594698.db2.gz AJYNTLLWQRJWHZ-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1[O-] ZINC000033474243 728840731 /nfs/dbraw/zinc/84/07/31/728840731.db2.gz OFACBEYZGXBWKW-RQOWECAXSA-N -1 0 343.291 2.934 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000918154741 728847076 /nfs/dbraw/zinc/84/70/76/728847076.db2.gz ADKUMOHGXRUVOO-WDZFZDKYSA-N -1 0 344.388 2.613 20 30 EFEDRM CS(=O)(=O)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000918156669 728847558 /nfs/dbraw/zinc/84/75/58/728847558.db2.gz RYCZRWJXCAFZQJ-DAXSKMNVSA-N -1 0 336.390 2.746 20 30 EFEDRM C=C[C@](C)(CC)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000909568254 723879398 /nfs/dbraw/zinc/87/93/98/723879398.db2.gz UVXKJYWVDCOBRQ-GOSISDBHSA-N -1 0 327.384 2.789 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000909515599 724035702 /nfs/dbraw/zinc/03/57/02/724035702.db2.gz ZYXJFEZSOCPWIJ-GFCCVEGCSA-N -1 0 332.183 2.516 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1 ZINC000728508904 724061456 /nfs/dbraw/zinc/06/14/56/724061456.db2.gz CIYROZUOEHYCLZ-UHFFFAOYSA-N -1 0 343.404 2.754 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000728511022 724067977 /nfs/dbraw/zinc/06/79/77/724067977.db2.gz SQICEQZALFTSJO-UHFFFAOYSA-N -1 0 343.404 2.510 20 30 EFEDRM N#CCN1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000895413182 724123227 /nfs/dbraw/zinc/12/32/27/724123227.db2.gz YMSQPZYDCGGVSE-SNVBAGLBSA-N -1 0 342.226 2.664 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)c1 ZINC000728696263 724135193 /nfs/dbraw/zinc/13/51/93/724135193.db2.gz ORLYXQIUCDLPLE-KTKRTIGZSA-N -1 0 349.346 2.627 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000728766846 724157577 /nfs/dbraw/zinc/15/75/77/724157577.db2.gz NFRDUUSSIBQOTP-SFHVURJKSA-N -1 0 345.358 2.975 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000918482855 728881258 /nfs/dbraw/zinc/88/12/58/728881258.db2.gz FRRHTTRZUMIWJU-GFCCVEGCSA-N -1 0 346.383 2.696 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918486469 728882029 /nfs/dbraw/zinc/88/20/29/728882029.db2.gz CUMIRIUOIPJGCB-KRWDZBQOSA-N -1 0 345.358 2.980 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)c(C)c2)n1 ZINC000728995730 724976461 /nfs/dbraw/zinc/97/64/61/724976461.db2.gz JLXQMDMZLXKOHQ-GFCCVEGCSA-N -1 0 332.356 2.932 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)nn1C ZINC000069524428 728941299 /nfs/dbraw/zinc/94/12/99/728941299.db2.gz UHHSPULPKGIKIH-UHFFFAOYSA-N -1 0 335.429 2.720 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1OC ZINC000130054777 725473300 /nfs/dbraw/zinc/47/33/00/725473300.db2.gz KWOGUTHGEZVEBN-JTQLQIEISA-N -1 0 348.742 2.911 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000089963575 725596103 /nfs/dbraw/zinc/59/61/03/725596103.db2.gz IIWHWEOJGTYFFS-AWEZNQCLSA-N -1 0 344.436 2.779 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000730403935 726123717 /nfs/dbraw/zinc/12/37/17/726123717.db2.gz HJBWBGROBVNVHY-UHFFFAOYSA-N -1 0 340.813 2.700 20 30 EFEDRM C=CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000906863331 726814807 /nfs/dbraw/zinc/81/48/07/726814807.db2.gz FRDBTVSULXSIDW-UHFFFAOYSA-N -1 0 347.795 2.764 20 30 EFEDRM C=CC[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906963951 726833235 /nfs/dbraw/zinc/83/32/35/726833235.db2.gz LKSZPSGJJPJXDE-QMMMGPOBSA-N -1 0 335.784 2.810 20 30 EFEDRM CC(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])N1Cc2ccccc2C1=O ZINC000907144960 726874495 /nfs/dbraw/zinc/87/44/95/726874495.db2.gz MQIVANWBOWFHBG-GOSISDBHSA-N -1 0 349.390 2.883 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731546775 726891954 /nfs/dbraw/zinc/89/19/54/726891954.db2.gz SCGSZTGYIPMJPV-CQSZACIVSA-N -1 0 333.319 2.505 20 30 EFEDRM C[C@H](NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000731558224 726894946 /nfs/dbraw/zinc/89/49/46/726894946.db2.gz NCTVRAAGCGHFRA-LBPRGKRZSA-N -1 0 343.339 2.743 20 30 EFEDRM O=C([O-])COc1ccc(C=NNc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000731560428 726895229 /nfs/dbraw/zinc/89/52/29/726895229.db2.gz UNIHSGGLGPCELL-UHFFFAOYSA-N -1 0 333.275 2.643 20 30 EFEDRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130402046 727091952 /nfs/dbraw/zinc/09/19/52/727091952.db2.gz ZFWHZHHNXNHCBX-UHFFFAOYSA-N -1 0 336.286 2.508 20 30 EFEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000153640957 727093285 /nfs/dbraw/zinc/09/32/85/727093285.db2.gz YJHLNMJRUMAADE-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM C=C[C@H](CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1ccccc1 ZINC000908109919 727099289 /nfs/dbraw/zinc/09/92/89/727099289.db2.gz RREZIBYYKYPTBB-HIFRSBDPSA-N -1 0 339.395 2.892 20 30 EFEDRM C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613263 727170783 /nfs/dbraw/zinc/17/07/83/727170783.db2.gz GFMBNGNSPKGHSY-UHFFFAOYSA-N -1 0 345.420 2.751 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2SCCS2)cc1 ZINC000129185693 727193213 /nfs/dbraw/zinc/19/32/13/727193213.db2.gz FCSFMKZKPNPCNA-ZDUSSCGKSA-N -1 0 332.450 2.766 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)OCC ZINC000908594151 727221587 /nfs/dbraw/zinc/22/15/87/727221587.db2.gz QGGTXWVZWCNVQH-CVEARBPZSA-N -1 0 335.400 2.699 20 30 EFEDRM C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000908590647 727226873 /nfs/dbraw/zinc/22/68/73/727226873.db2.gz JWIQMCSXNGKDAA-CQSZACIVSA-N -1 0 333.384 2.529 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(=O)[O-] ZINC000908624997 727227327 /nfs/dbraw/zinc/22/73/27/727227327.db2.gz DUMWVSJMKGWZOE-AWEZNQCLSA-N -1 0 334.347 2.745 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C(=O)[O-] ZINC000908623976 727227369 /nfs/dbraw/zinc/22/73/69/727227369.db2.gz KHLFJFQZPUTZTQ-LLVKDONJSA-N -1 0 344.289 2.534 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000908625745 727227588 /nfs/dbraw/zinc/22/75/88/727227588.db2.gz KXCHFTJROAXXIU-LBPRGKRZSA-N -1 0 340.326 2.740 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1)C(=O)[O-] ZINC000908618104 727232311 /nfs/dbraw/zinc/23/23/11/727232311.db2.gz JXLHSMLKDDGPHQ-AWEZNQCLSA-N -1 0 349.818 2.928 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1cccc(C2SCCS2)c1)C(=O)[O-] ZINC000908618722 727232456 /nfs/dbraw/zinc/23/24/56/727232456.db2.gz HGZYUWVVWTUNDN-LBPRGKRZSA-N -1 0 336.438 2.763 20 30 EFEDRM C#CCOc1cccc(NC(=O)N2CCC[C@@]2(CCC)C(=O)[O-])c1 ZINC000908621560 727232656 /nfs/dbraw/zinc/23/26/56/727232656.db2.gz MCDBTWZDHGGSMW-SFHVURJKSA-N -1 0 330.384 2.950 20 30 EFEDRM C=CCN(Cc1ccccc1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908734425 727252139 /nfs/dbraw/zinc/25/21/39/727252139.db2.gz XGSOIPHZRMLZAC-UHFFFAOYSA-N -1 0 327.384 2.576 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)CCC)cc1 ZINC000732903613 727270682 /nfs/dbraw/zinc/27/06/82/727270682.db2.gz KPZNABVZVGWKNO-CYBMUJFWSA-N -1 0 325.430 2.747 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000908853156 727275757 /nfs/dbraw/zinc/27/57/57/727275757.db2.gz CYDZORAVFGVIHM-HOTGVXAUSA-N -1 0 335.400 2.699 20 30 EFEDRM C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909030075 727307318 /nfs/dbraw/zinc/30/73/18/727307318.db2.gz HFHJZYDJFIMMEK-GFCCVEGCSA-N -1 0 341.205 2.840 20 30 EFEDRM CC#CCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909032189 727307719 /nfs/dbraw/zinc/30/77/19/727307719.db2.gz SNAABWGSGLBISO-GFCCVEGCSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000909059337 727315890 /nfs/dbraw/zinc/31/58/90/727315890.db2.gz LLTYYGYHXMFQFA-LLVKDONJSA-N -1 0 346.305 2.646 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000909238069 727350874 /nfs/dbraw/zinc/35/08/74/727350874.db2.gz NGJWWKHMERYCGL-LPHOPBHVSA-N -1 0 333.428 2.583 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909711666 727366168 /nfs/dbraw/zinc/36/61/68/727366168.db2.gz JHIRRTGSQROAOS-APWZRJJASA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cc(Br)ccc1F)C(=O)[O-] ZINC000909712950 727366274 /nfs/dbraw/zinc/36/62/74/727366274.db2.gz OVTIMWDCVRNUCW-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=CCC[C@@H](NC(=O)CN(CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000909714941 727366512 /nfs/dbraw/zinc/36/65/12/727366512.db2.gz IVOBWGCQCZCEDM-OAHLLOKOSA-N -1 0 338.835 2.698 20 30 EFEDRM C=CCC[C@H](NC(=O)CN(CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000909714940 727366536 /nfs/dbraw/zinc/36/65/36/727366536.db2.gz IVOBWGCQCZCEDM-HNNXBMFYSA-N -1 0 338.835 2.698 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)C(=O)[O-] ZINC000909715517 727366579 /nfs/dbraw/zinc/36/65/79/727366579.db2.gz MKFWCLSPOZOFEK-OCCSQVGLSA-N -1 0 336.819 2.702 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1nc2ccccc2nc1C1CC1)C(=O)[O-] ZINC000909715532 727366617 /nfs/dbraw/zinc/36/66/17/727366617.db2.gz MLJDNEHIAWTLJO-CQSZACIVSA-N -1 0 325.368 2.656 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000909717204 727368108 /nfs/dbraw/zinc/36/81/08/727368108.db2.gz DIVGFNVPWCWGIQ-OAHLLOKOSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000909772613 727373725 /nfs/dbraw/zinc/37/37/25/727373725.db2.gz SYFVTAZQVPQVBD-GWCFXTLKSA-N -1 0 345.317 2.581 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000129278996 727379678 /nfs/dbraw/zinc/37/96/78/727379678.db2.gz VRGGRDMTWVVEEI-LLVKDONJSA-N -1 0 328.315 2.900 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000909831361 727383267 /nfs/dbraw/zinc/38/32/67/727383267.db2.gz VDNRXYYIZOQMBA-TXPKVOOTSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C(C)[C@@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)OCC ZINC000909843763 727388915 /nfs/dbraw/zinc/38/89/15/727388915.db2.gz BCNINVSMGLAPNG-APWZRJJASA-N -1 0 333.428 2.907 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000909844526 727389052 /nfs/dbraw/zinc/38/90/52/727389052.db2.gz DXISXRYVGQOCOK-OALUTQOASA-N -1 0 333.428 2.764 20 30 EFEDRM C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1O)C(=O)N(C)CCC#N ZINC000909862604 727392676 /nfs/dbraw/zinc/39/26/76/727392676.db2.gz HYUZTCVCEWEXBT-MRVPVSSYSA-N -1 0 345.182 2.616 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910052653 727406030 /nfs/dbraw/zinc/40/60/30/727406030.db2.gz DUQKSFIQRBMQIM-GXFFZTMASA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000910052484 727406078 /nfs/dbraw/zinc/40/60/78/727406078.db2.gz ZFQGBARHRRLUKH-LBPRGKRZSA-N -1 0 344.194 2.745 20 30 EFEDRM C#CC[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000910054780 727406156 /nfs/dbraw/zinc/40/61/56/727406156.db2.gz SOPZOIVQFWAHEW-GXFFZTMASA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000910054579 727406180 /nfs/dbraw/zinc/40/61/80/727406180.db2.gz QLTTZVDJVLPINK-ZDUSSCGKSA-N -1 0 335.450 2.762 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000910046534 727407946 /nfs/dbraw/zinc/40/79/46/727407946.db2.gz RQJYMMODBZBDJG-STQMWFEESA-N -1 0 338.201 2.535 20 30 EFEDRM C#CC[C@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910048766 727408117 /nfs/dbraw/zinc/40/81/17/727408117.db2.gz OGEQBZNJMRYDHS-LBPRGKRZSA-N -1 0 327.302 2.576 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC000910145120 727415765 /nfs/dbraw/zinc/41/57/65/727415765.db2.gz PXZNOJXSMIJOGW-GFCCVEGCSA-N -1 0 337.466 2.855 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)Oc2ccccc2)n1 ZINC000028080229 727417087 /nfs/dbraw/zinc/41/70/87/727417087.db2.gz ARMFPQCVMRNVQJ-JSGCOSHPSA-N -1 0 344.392 2.639 20 30 EFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910251327 727424049 /nfs/dbraw/zinc/42/40/49/727424049.db2.gz IXHQOCQKBOFMPF-KPZWWZAWSA-N -1 0 342.395 2.506 20 30 EFEDRM C=CCNS(=O)(=O)c1ccccc1S[C@H](CCCC)C(=O)[O-] ZINC000910278137 727426512 /nfs/dbraw/zinc/42/65/12/727426512.db2.gz JGAUEVDGBFOCDF-CYBMUJFWSA-N -1 0 343.470 2.886 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])OCC ZINC000910513492 727446787 /nfs/dbraw/zinc/44/67/87/727446787.db2.gz PJOJIEKJCPUBCJ-MAUKXSAKSA-N -1 0 337.391 2.699 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])OCC ZINC000910513494 727446815 /nfs/dbraw/zinc/44/68/15/727446815.db2.gz PJOJIEKJCPUBCJ-YJBOKZPZSA-N -1 0 337.391 2.699 20 30 EFEDRM C#CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910709679 727458387 /nfs/dbraw/zinc/45/83/87/727458387.db2.gz FUFGSVMHEHMNKL-CQSZACIVSA-N -1 0 338.201 2.837 20 30 EFEDRM C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910728965 727460160 /nfs/dbraw/zinc/46/01/60/727460160.db2.gz FPSXYRXBFHKCAC-PWSUYJOCSA-N -1 0 338.429 2.794 20 30 EFEDRM C=CCOCCCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910732604 727460238 /nfs/dbraw/zinc/46/02/38/727460238.db2.gz QUAQREGUCLEPJB-LBPRGKRZSA-N -1 0 338.429 2.796 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2cnn(C(C)C)c2nc1C)C(=O)[O-] ZINC000910913273 727471538 /nfs/dbraw/zinc/47/15/38/727471538.db2.gz UPKJQVLQXMKSAO-HNNXBMFYSA-N -1 0 344.415 2.860 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cn(CCOC)c2ccccc12)C(=O)[O-] ZINC000910914099 727471633 /nfs/dbraw/zinc/47/16/33/727471633.db2.gz HKRKCIBDAKJNMW-MRXNPFEDSA-N -1 0 344.411 2.827 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2)C(=O)[O-] ZINC000910914708 727471770 /nfs/dbraw/zinc/47/17/70/727471770.db2.gz NFKRQRWAFRQOCU-SMDDNHRTSA-N -1 0 333.384 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)/C=C/c1ccc(O)c(OCC)c1)C(=O)[O-] ZINC000910915981 727471891 /nfs/dbraw/zinc/47/18/91/727471891.db2.gz SBFOORLUYPOTCK-CFRMROPGSA-N -1 0 333.384 2.730 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(OC2CC2)cc1OC)C(=O)[O-] ZINC000910916656 727472022 /nfs/dbraw/zinc/47/20/22/727472022.db2.gz HSPABGCKHZDGRM-OAHLLOKOSA-N -1 0 333.384 2.776 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000910917409 727472025 /nfs/dbraw/zinc/47/20/25/727472025.db2.gz QCJWGLUZHWCKSW-OAHLLOKOSA-N -1 0 345.374 2.859 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1CCc2cc(OC)ccc2C1)C(=O)[O-] ZINC000910923283 727472236 /nfs/dbraw/zinc/47/22/36/727472236.db2.gz RQTDBMMTYTUOPO-RDJZCZTQSA-N -1 0 331.412 2.726 20 30 EFEDRM C=C[C@](C)(O)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910956807 727472957 /nfs/dbraw/zinc/47/29/57/727472957.db2.gz FMOUEHSNOJANIH-IBGZPJMESA-N -1 0 342.395 2.509 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)OCC ZINC000911045373 727489872 /nfs/dbraw/zinc/48/98/72/727489872.db2.gz LQLKOQUOXNKABC-NWDGAFQWSA-N -1 0 338.429 2.529 20 30 EFEDRM O=[N+]([O-])c1cc(C=NNC(=S)Nc2ccccc2F)ccc1[O-] ZINC000915920263 727640003 /nfs/dbraw/zinc/64/00/03/727640003.db2.gz BBOIJRXZDOQGAW-UHFFFAOYSA-N -1 0 334.332 2.760 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)Nc1cccnc1)CCC2 ZINC000915944458 727641486 /nfs/dbraw/zinc/64/14/86/727641486.db2.gz QCZWOEURSTXCEV-UHFFFAOYSA-N -1 0 344.396 2.708 20 30 EFEDRM O=C([O-])CCOc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000915933772 727642639 /nfs/dbraw/zinc/64/26/39/727642639.db2.gz HVYCPPPQYMDEQJ-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2nccnc2Cl)c1[O-] ZINC000733079804 727662993 /nfs/dbraw/zinc/66/29/93/727662993.db2.gz UAZHUOURNDHINK-UHFFFAOYSA-N -1 0 328.115 2.843 20 30 EFEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OC(C)=O ZINC000916255160 727669813 /nfs/dbraw/zinc/66/98/13/727669813.db2.gz GMCMFJKFLJCXOO-UHFFFAOYSA-N -1 0 328.324 2.765 20 30 EFEDRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000916245111 727670736 /nfs/dbraw/zinc/67/07/36/727670736.db2.gz VYRPGGXQHLWYGH-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000916276177 727672692 /nfs/dbraw/zinc/67/26/92/727672692.db2.gz ODQMUAWDVYWBBI-MFKMUULPSA-N -1 0 336.417 2.677 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000916276178 727672751 /nfs/dbraw/zinc/67/27/51/727672751.db2.gz ODQMUAWDVYWBBI-ZWNOBZJWSA-N -1 0 336.417 2.677 20 30 EFEDRM COC[C@H](C)NC(=S)NN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000916281837 727673618 /nfs/dbraw/zinc/67/36/18/727673618.db2.gz URWMOHNKPGLZBH-ZETCQYMHSA-N -1 0 336.244 2.532 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(Cl)ccc2O)c1 ZINC000916288489 727674089 /nfs/dbraw/zinc/67/40/89/727674089.db2.gz GVRJKQHWVCJOQK-UHFFFAOYSA-N -1 0 338.816 2.975 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)ccc1O ZINC000916546808 727694592 /nfs/dbraw/zinc/69/45/92/727694592.db2.gz GZVAMSIMMJEGHU-UTCJRWHESA-N -1 0 342.347 2.933 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2F)s1 ZINC000916868614 727740384 /nfs/dbraw/zinc/74/03/84/727740384.db2.gz OXAKEHXTXVNRGA-LBPRGKRZSA-N -1 0 348.399 2.906 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000916916805 727741705 /nfs/dbraw/zinc/74/17/05/727741705.db2.gz CGASEQDNRYGVIM-HNNXBMFYSA-N -1 0 336.347 2.774 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000916917067 727741707 /nfs/dbraw/zinc/74/17/07/727741707.db2.gz GYLBFFACMHIBNE-KRWDZBQOSA-N -1 0 347.374 2.564 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000916918630 727741880 /nfs/dbraw/zinc/74/18/80/727741880.db2.gz UOUYWJDDHSBQEU-ZDUSSCGKSA-N -1 0 338.388 2.932 20 30 EFEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)o2)cc1 ZINC000916945925 727745179 /nfs/dbraw/zinc/74/51/79/727745179.db2.gz XYWOBLMSSIJOOB-HNNXBMFYSA-N -1 0 338.363 2.996 20 30 EFEDRM COC(=O)C[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000151104788 727779213 /nfs/dbraw/zinc/77/92/13/727779213.db2.gz ZFNPABXSXMVXHJ-ZWNOBZJWSA-N -1 0 326.352 2.567 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000130943918 727920528 /nfs/dbraw/zinc/92/05/28/727920528.db2.gz GHMSVUOPPIRTOL-LLVKDONJSA-N -1 0 330.775 2.577 20 30 EFEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000045100086 727972615 /nfs/dbraw/zinc/97/26/15/727972615.db2.gz LWVKDZOGDOAWOQ-UHFFFAOYSA-N -1 0 337.372 2.863 20 30 EFEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045099829 727972619 /nfs/dbraw/zinc/97/26/19/727972619.db2.gz NLGFPZHEYUFPFC-UHFFFAOYSA-N -1 0 325.336 2.994 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000045100028 727972651 /nfs/dbraw/zinc/97/26/51/727972651.db2.gz SJJSTVXGDUZWEY-UHFFFAOYSA-N -1 0 338.316 2.569 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183136712 727975336 /nfs/dbraw/zinc/97/53/36/727975336.db2.gz NLKUURBPNBPASQ-LBPRGKRZSA-N -1 0 332.381 2.787 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164764851 727980470 /nfs/dbraw/zinc/98/04/70/727980470.db2.gz QRFAHMSZHANGKE-UHFFFAOYSA-N -1 0 330.271 2.704 20 30 EFEDRM COCCOc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000032074960 727997948 /nfs/dbraw/zinc/99/79/48/727997948.db2.gz IOCNMOIGXPYKTE-LDADJPATSA-N -1 0 330.340 2.945 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)c1Cl ZINC000058051092 728132058 /nfs/dbraw/zinc/13/20/58/728132058.db2.gz CTFGXWFWJPUTID-UHFFFAOYSA-N -1 0 348.211 2.615 20 30 EFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000058072151 728137029 /nfs/dbraw/zinc/13/70/29/728137029.db2.gz VKNGRPSOMQJULS-UHFFFAOYSA-N -1 0 326.374 2.870 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1-c1ccccn1 ZINC000166783993 728143660 /nfs/dbraw/zinc/14/36/60/728143660.db2.gz AMLFVCBVRUPRSJ-MRXNPFEDSA-N -1 0 349.390 2.702 20 30 EFEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cccs1 ZINC000058102824 728143664 /nfs/dbraw/zinc/14/36/64/728143664.db2.gz ZMHAXFYRRPQRTO-UHFFFAOYSA-N -1 0 341.801 2.743 20 30 EFEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058113352 728144462 /nfs/dbraw/zinc/14/44/62/728144462.db2.gz BZIBHDYSBAROIK-CMDGGOBGSA-N -1 0 343.364 2.824 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1 ZINC000166793531 728144771 /nfs/dbraw/zinc/14/47/71/728144771.db2.gz BCUGZAXNVGFNJO-CQSZACIVSA-N -1 0 331.416 2.888 20 30 EFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058153886 728146994 /nfs/dbraw/zinc/14/69/94/728146994.db2.gz MGDXIZICZCBKAO-SNVBAGLBSA-N -1 0 332.809 2.503 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000183589536 728179953 /nfs/dbraw/zinc/17/99/53/728179953.db2.gz UEBSVYRBDNVEDK-UHFFFAOYSA-N -1 0 329.466 2.705 20 30 EFEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000046927160 728325331 /nfs/dbraw/zinc/32/53/31/728325331.db2.gz KTCZOAVDGUTYHM-UHFFFAOYSA-N -1 0 346.408 2.901 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000046927667 728325699 /nfs/dbraw/zinc/32/56/99/728325699.db2.gz ZLUDELPHAWRQGF-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)cc1 ZINC000060765246 728421030 /nfs/dbraw/zinc/42/10/30/728421030.db2.gz OLNBVOZSYVPDFR-UHFFFAOYSA-N -1 0 333.409 2.900 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171145858 728519565 /nfs/dbraw/zinc/51/95/65/728519565.db2.gz ACCXXSKSFBHZME-GFCCVEGCSA-N -1 0 337.445 2.520 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)cn1 ZINC000171147645 728519681 /nfs/dbraw/zinc/51/96/81/728519681.db2.gz PYMZHUQYCXVCIB-UHFFFAOYSA-N -1 0 348.434 2.939 20 30 EFEDRM NC(=O)c1cccc(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000171408370 728533629 /nfs/dbraw/zinc/53/36/29/728533629.db2.gz ORGGOFDLMVTFKG-DJKKODMXSA-N -1 0 347.758 2.714 20 30 EFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2ccco2)s1 ZINC000171482310 728535641 /nfs/dbraw/zinc/53/56/41/728535641.db2.gz ITRAOELRXWSFAR-SNVBAGLBSA-N -1 0 338.348 2.759 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796743 728553550 /nfs/dbraw/zinc/55/35/50/728553550.db2.gz TXDMJIDJYBCJOP-HNNXBMFYSA-N -1 0 339.395 2.547 20 30 EFEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000173911646 728641508 /nfs/dbraw/zinc/64/15/08/728641508.db2.gz MPPZXUSCPCEQBE-QGZVFWFLSA-N -1 0 342.420 2.803 20 30 EFEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)c(C)c2c1 ZINC000173974328 728643450 /nfs/dbraw/zinc/64/34/50/728643450.db2.gz ZEPIJKSQDRGNCY-ZDUSSCGKSA-N -1 0 328.393 2.819 20 30 EFEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000173982017 728644348 /nfs/dbraw/zinc/64/43/48/728644348.db2.gz VCBZLLPWDYGTAL-AWEZNQCLSA-N -1 0 344.802 2.681 20 30 EFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2)c1 ZINC000058188487 728677603 /nfs/dbraw/zinc/67/76/03/728677603.db2.gz HTZBRNZLBOARRN-UHFFFAOYSA-N -1 0 347.392 2.751 20 30 EFEDRM C#CC[C@@H](NC(=O)Nc1cc(Br)c(C)cc1C)C(=O)[O-] ZINC000900335202 728679318 /nfs/dbraw/zinc/67/93/18/728679318.db2.gz CARXKKKOJUERQX-LLVKDONJSA-N -1 0 339.189 2.664 20 30 EFEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571628 729003821 /nfs/dbraw/zinc/00/38/21/729003821.db2.gz TXIYEFIHNPFOMX-WDEREUQCSA-N -1 0 337.319 2.776 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2sccc2C)cc1 ZINC000154961902 729016645 /nfs/dbraw/zinc/01/66/45/729016645.db2.gz PMMKKQCLUCTUOE-HNNXBMFYSA-N -1 0 342.420 2.747 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1 ZINC000154960510 729016822 /nfs/dbraw/zinc/01/68/22/729016822.db2.gz JTDNSVIXRQMKPK-QGZVFWFLSA-N -1 0 340.354 2.516 20 30 EFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1COc2ccccc2C1 ZINC000069597327 729040155 /nfs/dbraw/zinc/04/01/55/729040155.db2.gz OOPLHIOGZOPBKA-CQSZACIVSA-N -1 0 349.383 2.863 20 30 EFEDRM CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622502 729075107 /nfs/dbraw/zinc/07/51/07/729075107.db2.gz VTAIFZZXGIWEFD-GHMZBOCLSA-N -1 0 337.319 2.776 20 30 EFEDRM CSc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)ccn1 ZINC000920565212 729201182 /nfs/dbraw/zinc/20/11/82/729201182.db2.gz OKIAPKWDJQQJEB-LLVKDONJSA-N -1 0 347.421 2.602 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000181824584 729214748 /nfs/dbraw/zinc/21/47/48/729214748.db2.gz KHCGETSGMRDYNS-UHFFFAOYSA-N -1 0 346.380 2.899 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)OCCC(C)C)n1 ZINC000921091135 729259207 /nfs/dbraw/zinc/25/92/07/729259207.db2.gz FOTUAIRULTUQJZ-STQMWFEESA-N -1 0 338.429 2.622 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(O)cc2)n1 ZINC000921249745 729280968 /nfs/dbraw/zinc/28/09/68/729280968.db2.gz AJCMHMIZIHPDNH-GBXSZLQWSA-N -1 0 342.376 2.590 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)COC(C)C)cc1OCC ZINC000064666438 729505205 /nfs/dbraw/zinc/50/52/05/729505205.db2.gz GCEQGIADMQRUHU-UHFFFAOYSA-N -1 0 345.417 2.554 20 30 EFEDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c1 ZINC000064666411 729505401 /nfs/dbraw/zinc/50/54/01/729505401.db2.gz LONXNAXYGSXGTH-SNVBAGLBSA-N -1 0 327.402 2.785 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000064666839 729507455 /nfs/dbraw/zinc/50/74/55/729507455.db2.gz MKVSCSIRSWTBQG-LLVKDONJSA-N -1 0 339.413 2.929 20 30 EFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000179587081 729594550 /nfs/dbraw/zinc/59/45/50/729594550.db2.gz BMJMACMKBKNRJD-OAHLLOKOSA-N -1 0 340.404 2.723 20 30 EFEDRM C#CCOc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000237917432 729662431 /nfs/dbraw/zinc/66/24/31/729662431.db2.gz MLTGSQBGBFIWKP-UHFFFAOYSA-N -1 0 349.386 2.897 20 30 EFEDRM C=CCN(Cc1cccs1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001465105488 804069409 /nfs/dbraw/zinc/06/94/09/804069409.db2.gz CVLXFXZPUVPYGU-KBPBESRZSA-N -1 0 343.470 2.709 20 30 EFEDRM C=CCOc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001465118088 804179242 /nfs/dbraw/zinc/17/92/42/804179242.db2.gz LVQSINZZBYNUSS-LSDHHAIUSA-N -1 0 339.413 2.637 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000780569520 939133660 /nfs/dbraw/zinc/13/36/60/939133660.db2.gz XEJKVQBMZAZPDH-MRXNPFEDSA-N -1 0 330.384 2.854 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccncc1 ZINC000780575565 939136664 /nfs/dbraw/zinc/13/66/64/939136664.db2.gz DVSCOSSXJGHXBW-HOTGVXAUSA-N -1 0 325.368 2.824 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000788315118 939148365 /nfs/dbraw/zinc/14/83/65/939148365.db2.gz NDHSPGMFFRHCLF-CQSZACIVSA-N -1 0 331.278 2.784 20 30 EFEDRM N#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000788315117 939148421 /nfs/dbraw/zinc/14/84/21/939148421.db2.gz NDHSPGMFFRHCLF-AWEZNQCLSA-N -1 0 331.278 2.784 20 30 EFEDRM C#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC000797736722 939199286 /nfs/dbraw/zinc/19/92/86/939199286.db2.gz BQZWLMJYQSZANJ-KRWDZBQOSA-N -1 0 336.347 2.550 20 30 EFEDRM C=CCOc1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000833377807 939223136 /nfs/dbraw/zinc/22/31/36/939223136.db2.gz OASAISACVRDHPE-UHFFFAOYSA-N -1 0 333.384 2.534 20 30 EFEDRM C=CCCOCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000872746600 939266042 /nfs/dbraw/zinc/26/60/42/939266042.db2.gz YXEDGHAYNHFLPW-CYBMUJFWSA-N -1 0 331.290 2.540 20 30 EFEDRM Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(F)cc1Br ZINC001611150755 970914934 /nfs/dbraw/zinc/91/49/34/970914934.db2.gz VYRGVPKGRSQXIU-ZDUSSCGKSA-N -1 0 343.152 2.840 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001601049166 970923075 /nfs/dbraw/zinc/92/30/75/970923075.db2.gz VGEZKQGIRBZJGU-MSOLQXFVSA-N -1 0 336.391 2.571 20 30 EFEDRM N#Cc1ccc(CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001601099344 970932155 /nfs/dbraw/zinc/93/21/55/970932155.db2.gz LAXZRUAHFJORKM-RBUKOAKNSA-N -1 0 348.402 2.818 20 30 EFEDRM N#CCCN(C(=O)CSCCC(=O)[O-])c1cccc(Cl)c1 ZINC001611291031 970976028 /nfs/dbraw/zinc/97/60/28/970976028.db2.gz CFBUXTVNUOIPIQ-UHFFFAOYSA-N -1 0 326.805 2.795 20 30 EFEDRM N#Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC001611295686 970978631 /nfs/dbraw/zinc/97/86/31/970978631.db2.gz CMMGJBSVFUPVOE-SNVBAGLBSA-N -1 0 343.261 2.538 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001611295852 970979889 /nfs/dbraw/zinc/97/98/89/970979889.db2.gz OOSMTBFLXMGLIW-KRWDZBQOSA-N -1 0 334.331 2.682 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602671632 971234075 /nfs/dbraw/zinc/23/40/75/971234075.db2.gz DTURFQFNZVXZSE-HZMBPMFUSA-N -1 0 338.766 2.660 20 30 EFEDRM C#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001602672968 971239093 /nfs/dbraw/zinc/23/90/93/971239093.db2.gz RTVRWOJGVNHVFB-INIZCTEOSA-N -1 0 343.766 2.908 20 30 EFEDRM C#CCCOc1ccc(CNc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001602675857 971255017 /nfs/dbraw/zinc/25/50/17/971255017.db2.gz WZJWGVKSMJWPSN-UHFFFAOYSA-N -1 0 327.384 2.717 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001602679676 971261409 /nfs/dbraw/zinc/26/14/09/971261409.db2.gz VPFCZNKHJDOSKB-KPKJPENVSA-N -1 0 347.239 2.701 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001602679844 971262502 /nfs/dbraw/zinc/26/25/02/971262502.db2.gz XCIXGQSPOBDGMN-PTNGSMBKSA-N -1 0 343.379 2.974 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC001602682332 971267936 /nfs/dbraw/zinc/26/79/36/971267936.db2.gz NGBZBBZIYJDWOA-ZHACJKMWSA-N -1 0 327.380 2.568 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC001602684272 971280089 /nfs/dbraw/zinc/28/00/89/971280089.db2.gz SWOGBPPTNXEJPA-UHFFFAOYSA-N -1 0 344.455 2.991 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC001602684338 971280761 /nfs/dbraw/zinc/28/07/61/971280761.db2.gz WQISGXNNNXXNIV-UHFFFAOYSA-N -1 0 328.412 2.616 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001602685628 971281847 /nfs/dbraw/zinc/28/18/47/971281847.db2.gz CASMCSQXJSVKLD-DLBZAZTESA-N -1 0 328.412 2.690 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC001602688175 971288526 /nfs/dbraw/zinc/28/85/26/971288526.db2.gz FNTVSIALRRLIBH-UHFFFAOYSA-N -1 0 340.326 2.694 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1csc(-c2ccccc2Cl)n1 ZINC001602692597 971304055 /nfs/dbraw/zinc/30/40/55/971304055.db2.gz USPLZTCGRRIFSC-UHFFFAOYSA-N -1 0 334.784 2.624 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccccc2)cc1OCC ZINC001602692592 971304353 /nfs/dbraw/zinc/30/43/53/971304353.db2.gz URUNBMMXKWFDKE-UHFFFAOYSA-N -1 0 343.404 2.974 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001602695292 971306438 /nfs/dbraw/zinc/30/64/38/971306438.db2.gz BZCJYJHFBANUIU-UHFFFAOYSA-N -1 0 341.363 2.643 20 30 EFEDRM C#CCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)[O-] ZINC001602700944 971323528 /nfs/dbraw/zinc/32/35/28/971323528.db2.gz PKDLTXISFMDUJR-UHFFFAOYSA-N -1 0 336.391 2.702 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001602704296 971333218 /nfs/dbraw/zinc/33/32/18/971333218.db2.gz BWZHFBDTZWKBJM-XQRVVYSFSA-N -1 0 329.283 2.781 20 30 EFEDRM C#Cc1cccc(N(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C(C)C)c1 ZINC001602707379 971343861 /nfs/dbraw/zinc/34/38/61/971343861.db2.gz SLABARNHVVPTHI-NVXWUHKLSA-N -1 0 329.396 2.679 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602709930 971349207 /nfs/dbraw/zinc/34/92/07/971349207.db2.gz LTYCXFVPFVNCSJ-UHFFFAOYSA-N -1 0 326.400 2.822 20 30 EFEDRM C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(C)(C(=O)[O-])CC1 ZINC001602710400 971351432 /nfs/dbraw/zinc/35/14/32/971351432.db2.gz VNPXRPUCSQHESD-UHFFFAOYSA-N -1 0 343.431 2.551 20 30 EFEDRM C=CCC[C@H](C(=O)NCC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC001602719135 971381722 /nfs/dbraw/zinc/38/17/22/971381722.db2.gz RUUHEJDHJAJJRI-INIZCTEOSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)Nc1cccnc1C(=O)[O-] ZINC001602728965 971398217 /nfs/dbraw/zinc/39/82/17/971398217.db2.gz RUMWJGFFPOSPLD-UHFFFAOYSA-N -1 0 327.340 2.666 20 30 EFEDRM C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001602729680 971400557 /nfs/dbraw/zinc/40/05/57/971400557.db2.gz AXVSRERRTDWVRI-ZDUSSCGKSA-N -1 0 346.456 2.612 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC001602778756 971513775 /nfs/dbraw/zinc/51/37/75/971513775.db2.gz MIBUHSAYOPHCRX-HNNXBMFYSA-N -1 0 340.301 2.636 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCc1ccc(Cl)s1 ZINC001602781379 971523884 /nfs/dbraw/zinc/52/38/84/971523884.db2.gz YMQBLHRBNDGTEF-AWEZNQCLSA-N -1 0 328.821 2.845 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602786456 971534426 /nfs/dbraw/zinc/53/44/26/971534426.db2.gz ROCMIONNNMXHTR-SNVBAGLBSA-N -1 0 326.312 2.715 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC001589596310 949147646 /nfs/dbraw/zinc/14/76/46/949147646.db2.gz KMLCOSBIVFNZJH-APWZRJJASA-N -1 0 341.411 2.832 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000092483250 949157558 /nfs/dbraw/zinc/15/75/58/949157558.db2.gz KDFQFTMKUZVSLE-SECBINFHSA-N -1 0 329.183 2.784 20 30 EFEDRM O=C([O-])c1cccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 ZINC001595240743 949452156 /nfs/dbraw/zinc/45/21/56/949452156.db2.gz UZONEXRVZPKVTL-UHFFFAOYSA-N -1 0 347.186 2.948 20 30 EFEDRM N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1Br ZINC000231841910 949753873 /nfs/dbraw/zinc/75/38/73/949753873.db2.gz VQACHEKFCUTXRB-VIFPVBQESA-N -1 0 327.153 2.761 20 30 EFEDRM C[C@H](C#N)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235081075 949845031 /nfs/dbraw/zinc/84/50/31/949845031.db2.gz YISADRHQIIIWHU-MRVPVSSYSA-N -1 0 340.177 2.771 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001589674236 949973930 /nfs/dbraw/zinc/97/39/30/949973930.db2.gz HJOCCGNHZFOTCR-SJORKVTESA-N -1 0 344.411 2.567 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001602948418 971921398 /nfs/dbraw/zinc/92/13/98/971921398.db2.gz CSEVBPAMNGIQGF-UHFFFAOYSA-N -1 0 338.367 2.794 20 30 EFEDRM CCc1ccc([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cc1 ZINC001593637224 953615192 /nfs/dbraw/zinc/61/51/92/953615192.db2.gz ONOCXLVCJUEZOR-APWZRJJASA-N -1 0 328.412 2.960 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001589302318 953694216 /nfs/dbraw/zinc/69/42/16/953694216.db2.gz BMELOIACGPIIAG-SMDDNHRTSA-N -1 0 339.351 2.539 20 30 EFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001589302316 953694621 /nfs/dbraw/zinc/69/46/21/953694621.db2.gz BMELOIACGPIIAG-RISCZKNCSA-N -1 0 339.351 2.539 20 30 EFEDRM O=C([O-])c1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)[nH]n1 ZINC001594808061 953793408 /nfs/dbraw/zinc/79/34/08/953793408.db2.gz MNNSHHQRESNISW-UHFFFAOYSA-N -1 0 331.331 2.760 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(C#N)c(Br)c1 ZINC001602970001 971964714 /nfs/dbraw/zinc/96/47/14/971964714.db2.gz HIMAMNJXTDCSEA-NSHDSACASA-N -1 0 325.162 2.616 20 30 EFEDRM C[C@H]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1C(=O)[O-] ZINC001589325924 953909454 /nfs/dbraw/zinc/90/94/54/953909454.db2.gz VYDXGTIFVLBBQN-MEDUHNTESA-N -1 0 339.351 2.539 20 30 EFEDRM CN(C)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC001593710166 954179870 /nfs/dbraw/zinc/17/98/70/954179870.db2.gz CJROXEFZHVPGAA-CQSZACIVSA-N -1 0 343.305 2.714 20 30 EFEDRM O=C([O-])[C@]1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCCO1 ZINC001594870880 954353427 /nfs/dbraw/zinc/35/34/27/954353427.db2.gz CHRNTJHDIDRNBC-HXUWFJFHSA-N -1 0 335.359 2.659 20 30 EFEDRM O=C([O-])C1(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCOCC1 ZINC001594871137 954357295 /nfs/dbraw/zinc/35/72/95/954357295.db2.gz RLOIZEGTOZZPMW-UHFFFAOYSA-N -1 0 349.386 2.906 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593755338 954447357 /nfs/dbraw/zinc/44/73/57/954447357.db2.gz HVWAVBRVGBHWQJ-UHFFFAOYSA-N -1 0 337.379 2.641 20 30 EFEDRM O=C([O-])c1ccc(/C=C2\CCc3c(cnn3-c3ncccn3)C2=O)cc1 ZINC000792917395 955347345 /nfs/dbraw/zinc/34/73/45/955347345.db2.gz LRWAMTIKZBSPSC-GXDHUFHOSA-N -1 0 346.346 2.573 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(-c2ccsc2)n1 ZINC000819873812 955460967 /nfs/dbraw/zinc/46/09/67/955460967.db2.gz DGNZWSNKPZNLOE-CQSZACIVSA-N -1 0 336.394 2.919 20 30 EFEDRM COc1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1C#N ZINC000820836999 955478982 /nfs/dbraw/zinc/47/89/82/955478982.db2.gz KNXSASHJZFFWLL-UHFFFAOYSA-N -1 0 339.351 2.516 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(OCC#N)cc1)CC(=O)[O-] ZINC001603041647 972102478 /nfs/dbraw/zinc/10/24/78/972102478.db2.gz QSSLJHSVOQNSPJ-ZDUSSCGKSA-N -1 0 333.388 2.847 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000823391148 955528955 /nfs/dbraw/zinc/52/89/55/955528955.db2.gz QZWJZLZXXLZNCX-SUMGSTKGSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000387131686 972105258 /nfs/dbraw/zinc/10/52/58/972105258.db2.gz KGNOCMYXBVURDV-UHFFFAOYSA-N -1 0 347.820 2.632 20 30 EFEDRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001589039335 955580284 /nfs/dbraw/zinc/58/02/84/955580284.db2.gz ASISSQIKKVFGDU-FZKQIMNGSA-N -1 0 332.400 2.698 20 30 EFEDRM C[C@](CNC(=O)[C@H](CC#N)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001589040391 955592836 /nfs/dbraw/zinc/59/28/36/955592836.db2.gz WGYOTQDOSUFWQT-YLJYHZDGSA-N -1 0 336.391 2.843 20 30 EFEDRM CC(C)[C@H](C(=O)[O-])C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000843327934 955633008 /nfs/dbraw/zinc/63/30/08/955633008.db2.gz AINAEUSPRZIRJU-ZDUSSCGKSA-N -1 0 327.302 2.530 20 30 EFEDRM C[C@@H](CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC001589057016 955706147 /nfs/dbraw/zinc/70/61/47/955706147.db2.gz VOHHPFBKLDICSG-NSHDSACASA-N -1 0 343.408 2.807 20 30 EFEDRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-] ZINC001589057606 955710220 /nfs/dbraw/zinc/71/02/20/955710220.db2.gz VOLZLLCLBMRUPI-NSHDSACASA-N -1 0 340.339 2.588 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000848450353 955736693 /nfs/dbraw/zinc/73/66/93/955736693.db2.gz ASCFUXUOFZDOAC-VIHMKRCTSA-N -1 0 347.411 2.746 20 30 EFEDRM C#C[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1F ZINC000848591857 955764920 /nfs/dbraw/zinc/76/49/20/955764920.db2.gz YZUCMJFIFZMQMT-JSGCOSHPSA-N -1 0 340.782 2.809 20 30 EFEDRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001589076423 955817666 /nfs/dbraw/zinc/81/76/66/955817666.db2.gz OHHVGPZZBICDMZ-YJYMSZOUSA-N -1 0 346.427 2.872 20 30 EFEDRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589076422 955817814 /nfs/dbraw/zinc/81/78/14/955817814.db2.gz OHHVGPZZBICDMZ-ORAYPTAESA-N -1 0 346.427 2.872 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589079562 955842655 /nfs/dbraw/zinc/84/26/55/955842655.db2.gz SMVWSBWUYJAWSL-UTJXIGIESA-N -1 0 342.439 2.988 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC)[C@@H](C)C(=O)[O-])cc1OC ZINC000852954704 955880999 /nfs/dbraw/zinc/88/09/99/955880999.db2.gz PTTBBMOUEPAQFN-KJJQSCHISA-N -1 0 333.384 2.595 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1cccc(OCC#N)c1)CC(=O)[O-] ZINC000853091760 955903046 /nfs/dbraw/zinc/90/30/46/955903046.db2.gz PXQYLCNZWCLWDS-ZDUSSCGKSA-N -1 0 333.388 2.847 20 30 EFEDRM C#CCOc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000853095775 955904269 /nfs/dbraw/zinc/90/42/69/955904269.db2.gz XPSWLFSOMOLMBR-AWEZNQCLSA-N -1 0 332.400 2.957 20 30 EFEDRM N#C[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001594601653 956137311 /nfs/dbraw/zinc/13/73/11/956137311.db2.gz OHAOKCFJTZNRKS-LBPRGKRZSA-N -1 0 344.289 2.911 20 30 EFEDRM N#C[C@@H](C(=O)C1(C(=O)[O-])CC=CC1)c1nccn1Cc1ccccc1 ZINC001594602265 956143725 /nfs/dbraw/zinc/14/37/25/956143725.db2.gz USHASXYEXGHMJC-HNNXBMFYSA-N -1 0 335.363 2.529 20 30 EFEDRM N#CC(C(=O)C1(C(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC001594602274 956144262 /nfs/dbraw/zinc/14/42/62/956144262.db2.gz UTEFGAFXOLKIRG-VIFPVBQESA-N -1 0 333.294 2.863 20 30 EFEDRM N#CC1(c2ccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC001594602260 956144379 /nfs/dbraw/zinc/14/43/79/956144379.db2.gz LJJJDZCPCYAGLX-AWEZNQCLSA-N -1 0 326.396 2.959 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1C#N ZINC001603081806 972157772 /nfs/dbraw/zinc/15/77/72/972157772.db2.gz TTWIXIFRHORZJT-UHFFFAOYSA-N -1 0 331.372 2.864 20 30 EFEDRM N#CC1(CCOC(=O)C2(C(=O)[O-])CCSCC2)CCCCC1 ZINC001594603390 956154851 /nfs/dbraw/zinc/15/48/51/956154851.db2.gz BUXVGLGWFCVARQ-UHFFFAOYSA-N -1 0 325.430 2.992 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001594608759 956186442 /nfs/dbraw/zinc/18/64/42/956186442.db2.gz ASHKNKLWPOPSPO-AWEZNQCLSA-N -1 0 339.395 2.882 20 30 EFEDRM N#CCOc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594609551 956193619 /nfs/dbraw/zinc/19/36/19/956193619.db2.gz DINZDSYMOQYNJO-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#CCOc1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001594609747 956194498 /nfs/dbraw/zinc/19/44/98/956194498.db2.gz JWODAELWGXSVPA-HNNXBMFYSA-N -1 0 345.399 2.518 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001594609689 956194808 /nfs/dbraw/zinc/19/48/08/956194808.db2.gz HNLUUHONUITGMQ-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM N#CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001594610900 956208139 /nfs/dbraw/zinc/20/81/39/956208139.db2.gz CDLBNXOHMUVDAY-HNNXBMFYSA-N -1 0 327.315 2.839 20 30 EFEDRM N#CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594611414 956213151 /nfs/dbraw/zinc/21/31/51/956213151.db2.gz NKYIGJLBEBYGOD-OAHLLOKOSA-N -1 0 343.314 2.675 20 30 EFEDRM N#CCc1cccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001594611569 956217064 /nfs/dbraw/zinc/21/70/64/956217064.db2.gz YGLLZLFJBPYSNZ-GJZGRUSLSA-N -1 0 336.351 2.582 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594614122 956228448 /nfs/dbraw/zinc/22/84/48/956228448.db2.gz JNTKLWDVBPGNBT-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc12 ZINC001594614177 956228943 /nfs/dbraw/zinc/22/89/43/956228943.db2.gz LQDFPXFGNPRIQC-AWEZNQCLSA-N -1 0 325.368 2.899 20 30 EFEDRM N#Cc1cc(Br)cnc1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594614282 956229104 /nfs/dbraw/zinc/22/91/04/956229104.db2.gz PFVSUMICEOTWAU-ZDUSSCGKSA-N -1 0 346.184 2.824 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1Br ZINC001594616660 956242079 /nfs/dbraw/zinc/24/20/79/956242079.db2.gz WCZCLKRXFJJOFF-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C3CC3)n2)cc1 ZINC001594616989 956244581 /nfs/dbraw/zinc/24/45/81/956244581.db2.gz ALYVCQDVZVOFSZ-CYBMUJFWSA-N -1 0 327.365 2.731 20 30 EFEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001594616952 956244860 /nfs/dbraw/zinc/24/48/60/956244860.db2.gz UPGMAZBLDLCRCD-UHFFFAOYSA-N -1 0 344.758 2.591 20 30 EFEDRM N#Cc1cc2c(nc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1)CCCC2 ZINC001594617172 956247910 /nfs/dbraw/zinc/24/79/10/956247910.db2.gz DYPZJQSJGQMMNP-SOFGYWHQSA-N -1 0 337.335 2.775 20 30 EFEDRM N#Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)cc1 ZINC001594617601 956250496 /nfs/dbraw/zinc/25/04/96/956250496.db2.gz QEQACSHOKXCTNH-UHFFFAOYSA-N -1 0 327.365 2.875 20 30 EFEDRM N#Cc1cc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)ccn1 ZINC001594617655 956252476 /nfs/dbraw/zinc/25/24/76/956252476.db2.gz SDQKKHUNQFMGNO-INIZCTEOSA-N -1 0 337.335 2.795 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001594617882 956256222 /nfs/dbraw/zinc/25/62/22/956256222.db2.gz OFODLMHPWMDPMK-ZDUSSCGKSA-N -1 0 335.363 2.637 20 30 EFEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594618449 956264269 /nfs/dbraw/zinc/26/42/69/956264269.db2.gz PJJFRDVRKPLFLL-AWEZNQCLSA-N -1 0 337.310 2.717 20 30 EFEDRM N#Cc1ccc(CNC(=O)NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001594620294 956274824 /nfs/dbraw/zinc/27/48/24/956274824.db2.gz DOAOPZRBZBXPRC-UHFFFAOYSA-N -1 0 343.770 2.909 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N(CCOC)CCC(=O)[O-])c1 ZINC000899310968 956280040 /nfs/dbraw/zinc/28/00/40/956280040.db2.gz KFJQVPSUHSBZJI-UHFFFAOYSA-N -1 0 336.388 2.597 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc21 ZINC000899315973 956286011 /nfs/dbraw/zinc/28/60/11/956286011.db2.gz ALZCANCOTVEWHA-CQSZACIVSA-N -1 0 330.388 2.701 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000899317474 956286582 /nfs/dbraw/zinc/28/65/82/956286582.db2.gz MJBMWAYOCUVUIH-UHFFFAOYSA-N -1 0 328.372 2.551 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NCC3(C(=O)[O-])CCC3)cc21 ZINC000899318721 956289244 /nfs/dbraw/zinc/28/92/44/956289244.db2.gz WVTISEOYFWGSDU-UHFFFAOYSA-N -1 0 328.372 2.599 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001594626456 956318584 /nfs/dbraw/zinc/31/85/84/956318584.db2.gz BNAHRCUGFGZKES-YOEHRIQHSA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001594626674 956319086 /nfs/dbraw/zinc/31/90/86/956319086.db2.gz FNOBMNJDQZORFN-MRXNPFEDSA-N -1 0 344.367 2.732 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594627099 956320675 /nfs/dbraw/zinc/32/06/75/956320675.db2.gz LZXMLKXSWFSSGU-CXAGYDPISA-N -1 0 341.411 2.832 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)on2)c1 ZINC001594627697 956324502 /nfs/dbraw/zinc/32/45/02/956324502.db2.gz TYBXDEJUOXQENO-UHFFFAOYSA-N -1 0 349.302 2.869 20 30 EFEDRM N#Cc1ccc(SCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001594627886 956325587 /nfs/dbraw/zinc/32/55/87/956325587.db2.gz XYTWUUSHRPDYPD-UHFFFAOYSA-N -1 0 332.425 2.944 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)on2)c1 ZINC001594627882 956325889 /nfs/dbraw/zinc/32/58/89/956325889.db2.gz XVQASTJYVJBSIG-CYBMUJFWSA-N -1 0 339.351 2.540 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594631540 956343217 /nfs/dbraw/zinc/34/32/17/956343217.db2.gz HYGRPCJSAZGIOI-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901571929 956343846 /nfs/dbraw/zinc/34/38/46/956343846.db2.gz AWLXZVSHQAAVEJ-LBPRGKRZSA-N -1 0 325.368 2.757 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594631845 956346469 /nfs/dbraw/zinc/34/64/69/956346469.db2.gz OOXFSPSTTBYTRS-ZDUSSCGKSA-N -1 0 327.365 2.836 20 30 EFEDRM N#Cc1ccccc1CSCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594632116 956348996 /nfs/dbraw/zinc/34/89/96/956348996.db2.gz QXXRJHGBNKIJFX-GOSISDBHSA-N -1 0 344.436 2.719 20 30 EFEDRM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1Cl ZINC001594634952 956366108 /nfs/dbraw/zinc/36/61/08/956366108.db2.gz SLEIAMVHVPGHIU-QWHCGFSZSA-N -1 0 327.771 2.911 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000902080427 956645142 /nfs/dbraw/zinc/64/51/42/956645142.db2.gz QPGYYNLZDJDFQG-INIZCTEOSA-N -1 0 330.428 2.971 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000902093854 956649204 /nfs/dbraw/zinc/64/92/04/956649204.db2.gz ZFNHOBUOYIQBAV-HXUWFJFHSA-N -1 0 348.402 2.928 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 ZINC001589212347 956701827 /nfs/dbraw/zinc/70/18/27/956701827.db2.gz OTUKUINDNGTHCO-AUUYWEPGSA-N -1 0 337.379 2.609 20 30 EFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)[C@H](C#N)c1nccn1Cc1ccccc1 ZINC001589212350 956701873 /nfs/dbraw/zinc/70/18/73/956701873.db2.gz OTUKUINDNGTHCO-IFXJQAMLSA-N -1 0 337.379 2.609 20 30 EFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)[C@@H](C#N)c1nccn1Cc1ccccc1 ZINC001589212353 956701985 /nfs/dbraw/zinc/70/19/85/956701985.db2.gz OTUKUINDNGTHCO-KUHUBIRLSA-N -1 0 337.379 2.609 20 30 EFEDRM N#Cc1cc(F)ccc1N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903692363 956871915 /nfs/dbraw/zinc/87/19/15/956871915.db2.gz KEZCLZDBESMWQC-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl ZINC000925904781 957132504 /nfs/dbraw/zinc/13/25/04/957132504.db2.gz AWGMBEFUERWXTC-QWHCGFSZSA-N -1 0 333.775 2.786 20 30 EFEDRM C[C@](CNC(=O)c1cc(F)c(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001603184864 972288218 /nfs/dbraw/zinc/28/82/18/972288218.db2.gz MTAYWIIXNVBOEB-GOSISDBHSA-N -1 0 344.317 2.609 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccncc1 ZINC001335501103 957816957 /nfs/dbraw/zinc/81/69/57/957816957.db2.gz RJKMRHYPHXBJMG-YJBOKZPZSA-N -1 0 331.416 2.985 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001339821438 957886266 /nfs/dbraw/zinc/88/62/66/957886266.db2.gz ISGGOMQXLUFLLD-DJIMGWMZSA-N -1 0 330.428 2.926 20 30 EFEDRM O=C([O-])c1cnc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001574820889 957909960 /nfs/dbraw/zinc/90/99/60/957909960.db2.gz WFWUFNIWRBZRDE-UHFFFAOYSA-N -1 0 342.138 2.513 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603199639 972303855 /nfs/dbraw/zinc/30/38/55/972303855.db2.gz IMZMVIUATQMYHE-SJKOYZFVSA-N -1 0 340.354 2.818 20 30 EFEDRM C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001588372903 957966147 /nfs/dbraw/zinc/96/61/47/957966147.db2.gz VMTCNMSTLRBGRK-GLQYFDAESA-N -1 0 334.803 2.767 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CCCCC1 ZINC001588391622 958025099 /nfs/dbraw/zinc/02/50/99/958025099.db2.gz KIGRDENEJOTGFZ-UHFFFAOYSA-N -1 0 332.404 2.551 20 30 EFEDRM C#CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001588395106 958037564 /nfs/dbraw/zinc/03/75/64/958037564.db2.gz CKFDOWGILFHZLH-HLLBOEOZSA-N -1 0 326.396 2.572 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001588398999 958070282 /nfs/dbraw/zinc/07/02/82/958070282.db2.gz FGEWMXIFZIRCBQ-UTCJRWHESA-N -1 0 345.704 2.918 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001588400418 958082857 /nfs/dbraw/zinc/08/28/57/958082857.db2.gz XDCJOWXTXPSBGB-NSHDSACASA-N -1 0 327.302 2.745 20 30 EFEDRM COc1cc(NC(=O)NCc2ccccc2C(=O)[O-])c(F)cc1C#N ZINC001594062632 958106493 /nfs/dbraw/zinc/10/64/93/958106493.db2.gz SFTGJEXECQJEOP-UHFFFAOYSA-N -1 0 343.314 2.726 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001588408882 958119498 /nfs/dbraw/zinc/11/94/98/958119498.db2.gz JSSDMGWHPVFFLN-VIFPVBQESA-N -1 0 329.183 2.784 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001588410236 958136870 /nfs/dbraw/zinc/13/68/70/958136870.db2.gz QUZZRJVTBUPVHV-DJIMGWMZSA-N -1 0 328.412 2.688 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC001588411016 958144921 /nfs/dbraw/zinc/14/49/21/958144921.db2.gz DYJHIPWPUSYUHQ-QGZVFWFLSA-N -1 0 328.412 2.917 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC001588411428 958150401 /nfs/dbraw/zinc/15/04/01/958150401.db2.gz ZXYHLZBQKMAZMO-UHFFFAOYSA-N -1 0 349.818 2.882 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC001588412772 958153145 /nfs/dbraw/zinc/15/31/45/958153145.db2.gz JZHCDAKMUQYUFC-UHFFFAOYSA-N -1 0 339.351 2.734 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccccc1-c1csc(C)n1 ZINC001588412874 958155001 /nfs/dbraw/zinc/15/50/01/958155001.db2.gz LGZLXNTWIXCSDL-UHFFFAOYSA-N -1 0 329.381 2.670 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC001588413038 958156756 /nfs/dbraw/zinc/15/67/56/958156756.db2.gz PVLAUKYRHLGSCB-UHFFFAOYSA-N -1 0 329.381 2.725 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001588416619 958164349 /nfs/dbraw/zinc/16/43/49/958164349.db2.gz QRNOTIARGJDVMD-UHFFFAOYSA-N -1 0 335.787 2.821 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(NCc2ccsc2)cc1 ZINC001588416758 958166162 /nfs/dbraw/zinc/16/61/62/958166162.db2.gz TVULGUYAPBIKMP-UHFFFAOYSA-N -1 0 328.393 2.520 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC001588417564 958175642 /nfs/dbraw/zinc/17/56/42/958175642.db2.gz WITBICCYHWNJBL-LLVKDONJSA-N -1 0 335.429 2.600 20 30 EFEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001588420434 958205412 /nfs/dbraw/zinc/20/54/12/958205412.db2.gz YSOIMPQBNXUROA-UHFFFAOYSA-N -1 0 330.428 2.892 20 30 EFEDRM C#CCN(CC(=O)[O-])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001588425382 958224908 /nfs/dbraw/zinc/22/49/08/958224908.db2.gz QCLYIFMJHUDKOY-UHFFFAOYSA-N -1 0 339.439 2.749 20 30 EFEDRM C#CCOCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001588430620 958260106 /nfs/dbraw/zinc/26/01/06/958260106.db2.gz DMVUVMVIKHRHQP-UHFFFAOYSA-N -1 0 335.425 2.940 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001588433061 958291188 /nfs/dbraw/zinc/29/11/88/958291188.db2.gz CCDKDCGSKWBMMV-SFHVURJKSA-N -1 0 330.384 2.807 20 30 EFEDRM C#CCSc1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001588433427 958296339 /nfs/dbraw/zinc/29/63/39/958296339.db2.gz PZFFRPHRVJYBQH-UHFFFAOYSA-N -1 0 327.361 2.862 20 30 EFEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001588433531 958299116 /nfs/dbraw/zinc/29/91/16/958299116.db2.gz ONZNNYXTUXXUOB-INIZCTEOSA-N -1 0 342.326 2.785 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001588433929 958301616 /nfs/dbraw/zinc/30/16/16/958301616.db2.gz XIKCUAUJDPKEMC-NEPJUHHUSA-N -1 0 334.347 2.555 20 30 EFEDRM Cc1ccc(C(=O)/C=C\C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001594343049 958312794 /nfs/dbraw/zinc/31/27/94/958312794.db2.gz PYVDBGZKRCYBSJ-SNGWPZLWSA-N -1 0 329.396 2.980 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001594342989 958312883 /nfs/dbraw/zinc/31/28/83/958312883.db2.gz KKMNXMAGHSBMGX-DRUFCSCSSA-N -1 0 337.375 2.850 20 30 EFEDRM C=C(Br)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588439771 958322731 /nfs/dbraw/zinc/32/27/31/958322731.db2.gz RRGUPTHYOWXKKE-NSHDSACASA-N -1 0 343.221 2.579 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001588439787 958323011 /nfs/dbraw/zinc/32/30/11/958323011.db2.gz HBCOBQLGWIOOER-UHFFFAOYSA-N -1 0 349.427 2.814 20 30 EFEDRM C[C@@H](NC(=O)/C=C\c1ccccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219262 972337549 /nfs/dbraw/zinc/33/75/49/972337549.db2.gz SPELCQFDXUFDJX-DGTCYASQSA-N -1 0 326.396 2.823 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588443263 958352570 /nfs/dbraw/zinc/35/25/70/958352570.db2.gz OVOTUFFPHWNXJT-KBPBESRZSA-N -1 0 331.420 2.562 20 30 EFEDRM C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443754 958356310 /nfs/dbraw/zinc/35/63/10/958356310.db2.gz WTBCINZFRZQFCT-UHFFFAOYSA-N -1 0 344.415 2.533 20 30 EFEDRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001603227338 972345362 /nfs/dbraw/zinc/34/53/62/972345362.db2.gz LDODXFCJXPXWBZ-ZFWWWQNUSA-N -1 0 329.400 2.906 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001588453428 958437950 /nfs/dbraw/zinc/43/79/50/958437950.db2.gz XECUJMKPFFABFC-MRXNPFEDSA-N -1 0 331.412 2.562 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588453514 958439292 /nfs/dbraw/zinc/43/92/92/958439292.db2.gz ZIQPUFXXHSMJFF-ZACQAIPSSA-N -1 0 331.412 2.560 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001588453512 958439676 /nfs/dbraw/zinc/43/96/76/958439676.db2.gz ZIQPUFXXHSMJFF-BRWVUGGUSA-N -1 0 331.412 2.560 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001588453511 958439833 /nfs/dbraw/zinc/43/98/33/958439833.db2.gz ZIQPUFXXHSMJFF-BBWFWOEESA-N -1 0 331.412 2.560 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588457133 958445074 /nfs/dbraw/zinc/44/50/74/958445074.db2.gz MBRCFVODELZNMA-CHWSQXEVSA-N -1 0 345.317 2.929 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC001573317453 958450214 /nfs/dbraw/zinc/45/02/14/958450214.db2.gz HZGSQALFLHWLTI-UHFFFAOYSA-N -1 0 338.363 2.914 20 30 EFEDRM C#C[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001573317662 958454293 /nfs/dbraw/zinc/45/42/93/958454293.db2.gz FHISEOGRFKVQON-GFCCVEGCSA-N -1 0 329.743 2.929 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001573317795 958456078 /nfs/dbraw/zinc/45/60/78/958456078.db2.gz NQHBQNWORHLLOP-UHFFFAOYSA-N -1 0 349.346 2.902 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC001573318685 958467797 /nfs/dbraw/zinc/46/77/97/958467797.db2.gz ZDIPPDSREFNBHW-UHFFFAOYSA-N -1 0 332.400 2.972 20 30 EFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC001588458939 958468902 /nfs/dbraw/zinc/46/89/02/958468902.db2.gz XNVVTFGPROPYSJ-STQMWFEESA-N -1 0 342.436 2.558 20 30 EFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1 ZINC001573321134 958479751 /nfs/dbraw/zinc/47/97/51/958479751.db2.gz SVNBTQZEVIDXAH-UHFFFAOYSA-N -1 0 325.389 2.998 20 30 EFEDRM Cc1ccc(F)cc1-c1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s1 ZINC001594365466 958485641 /nfs/dbraw/zinc/48/56/41/958485641.db2.gz ROZYYHDGJMIYGP-HNNXBMFYSA-N -1 0 348.359 2.596 20 30 EFEDRM C#CCOc1ccc(COC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001573327332 958488332 /nfs/dbraw/zinc/48/83/32/958488332.db2.gz KTHQGXVUBYJYKR-UHFFFAOYSA-N -1 0 340.331 2.519 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573327516 958489448 /nfs/dbraw/zinc/48/94/48/958489448.db2.gz OTABZVANIMKDRO-UHFFFAOYSA-N -1 0 342.326 2.858 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573327562 958489778 /nfs/dbraw/zinc/48/97/78/958489778.db2.gz QUMRBXNRBVPOQX-UHFFFAOYSA-N -1 0 341.388 2.682 20 30 EFEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001594366352 958492663 /nfs/dbraw/zinc/49/26/63/958492663.db2.gz FFCVGLUYGMTVTF-GOEBONIOSA-N -1 0 330.384 2.512 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001588466476 958513322 /nfs/dbraw/zinc/51/33/22/958513322.db2.gz SMNCIUDNTQAGHQ-BQYQJAHWSA-N -1 0 327.336 2.872 20 30 EFEDRM C=CCOc1ccc(COC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001588469556 958516941 /nfs/dbraw/zinc/51/69/41/958516941.db2.gz KCTDJORSSZHAHO-GOEBONIOSA-N -1 0 334.368 2.565 20 30 EFEDRM C=CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588470075 958521338 /nfs/dbraw/zinc/52/13/38/958521338.db2.gz BQQWUKHRYHOACZ-CQSZACIVSA-N -1 0 341.415 2.607 20 30 EFEDRM C=CCc1ccc(OC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(OC)c1 ZINC001588470096 958521351 /nfs/dbraw/zinc/52/13/51/958521351.db2.gz CEYBYLJDGLEABI-ZIAGYGMSSA-N -1 0 334.368 2.599 20 30 EFEDRM C=CCn1c(-c2ccc(C)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588470668 958529498 /nfs/dbraw/zinc/52/94/98/958529498.db2.gz RKGLNQNYVKZRFR-UHFFFAOYSA-N -1 0 326.400 2.741 20 30 EFEDRM C=CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470763 958531102 /nfs/dbraw/zinc/53/11/02/958531102.db2.gz VBNYSCNLTWBFQE-LLVKDONJSA-N -1 0 332.791 2.695 20 30 EFEDRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594114130 958543391 /nfs/dbraw/zinc/54/33/91/958543391.db2.gz SKMGLIMJZNSZQE-AUUYWEPGSA-N -1 0 344.411 2.861 20 30 EFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588478412 958565755 /nfs/dbraw/zinc/56/57/55/958565755.db2.gz LNJBNGUMUZPMPV-SKDRFNHKSA-N -1 0 340.173 2.677 20 30 EFEDRM COc1ccc2ccccc2c1CCNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001594118264 958577424 /nfs/dbraw/zinc/57/74/24/958577424.db2.gz IFAYZULTMCFRBX-IBGZPJMESA-N -1 0 340.379 2.512 20 30 EFEDRM Cc1cccc([C@H](NC(=O)C(=O)/C=C\c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594390244 958706031 /nfs/dbraw/zinc/70/60/31/958706031.db2.gz HRHHBIHEGQENGT-JEZWAEDTSA-N -1 0 341.338 2.659 20 30 EFEDRM COc1ccccc1[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC001594144630 958753054 /nfs/dbraw/zinc/75/30/54/958753054.db2.gz XRDXULNDKDNOKW-AUUYWEPGSA-N -1 0 344.411 2.796 20 30 EFEDRM Cc1cccc([C@H](NC(=O)Cc2c(C)cc(C#N)cc2C)C(=O)[O-])c1 ZINC001594397932 958791229 /nfs/dbraw/zinc/79/12/29/958791229.db2.gz PMNCTGJSMSANKK-IBGZPJMESA-N -1 0 336.391 2.968 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001588539110 958951287 /nfs/dbraw/zinc/95/12/87/958951287.db2.gz XUTSTWPWANOOQA-YVEFUNNKSA-N -1 0 336.338 2.675 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001588539112 958951373 /nfs/dbraw/zinc/95/13/73/958951373.db2.gz XZWMPHINHKNEBV-QGZVFWFLSA-N -1 0 345.786 2.641 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001588539971 958956708 /nfs/dbraw/zinc/95/67/08/958956708.db2.gz IRYUUPLNKAZOSG-ZDUSSCGKSA-N -1 0 341.154 2.813 20 30 EFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573478724 958970849 /nfs/dbraw/zinc/97/08/49/958970849.db2.gz ZQTGCOYVQORZRI-UHFFFAOYSA-N -1 0 338.367 2.794 20 30 EFEDRM C[C@@H](C#N)C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588544034 958986695 /nfs/dbraw/zinc/98/66/95/958986695.db2.gz XZZJJGITOVXFJM-WCBMZHEXSA-N -1 0 337.173 2.514 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCn1c2ccccc2c2ccccc21 ZINC001588558219 959081965 /nfs/dbraw/zinc/08/19/65/959081965.db2.gz OUDMDBCRKVNNLV-HXUWFJFHSA-N -1 0 349.390 2.915 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001573608119 959464255 /nfs/dbraw/zinc/46/42/55/959464255.db2.gz MTGMZIIQFKPBII-KUHUBIRLSA-N -1 0 348.402 2.947 20 30 EFEDRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001588610138 959503191 /nfs/dbraw/zinc/50/31/91/959503191.db2.gz QRWSCNPWPVUNIT-UHFFFAOYSA-N -1 0 340.354 2.990 20 30 EFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001588631168 959612383 /nfs/dbraw/zinc/61/23/83/959612383.db2.gz FNCKGNVFTVSSEI-INIZCTEOSA-N -1 0 326.396 2.921 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001594253241 959630941 /nfs/dbraw/zinc/63/09/41/959630941.db2.gz RYURUEQJNGEWJS-UHFFFAOYSA-N -1 0 342.376 2.951 20 30 EFEDRM Cc1c(Br)cc(C#N)c(=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC001594253955 959638952 /nfs/dbraw/zinc/63/89/52/959638952.db2.gz PZRJFMRLDBXMFQ-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c(OC)c1 ZINC001123299377 960458570 /nfs/dbraw/zinc/45/85/70/960458570.db2.gz ZVGVLLSEOIZLQC-LSDHHAIUSA-N -1 0 347.411 2.562 20 30 EFEDRM CSc1ccc(CNC(=O)NCCCCCC(=O)[O-])cc1C#N ZINC001574257200 960539362 /nfs/dbraw/zinc/53/93/62/960539362.db2.gz LJBPJERGDDWQRE-UHFFFAOYSA-N -1 0 335.429 2.724 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001322656503 961010443 /nfs/dbraw/zinc/01/04/43/961010443.db2.gz KXFQCGJIUYBGFI-SFHVURJKSA-N -1 0 337.375 2.953 20 30 EFEDRM Cc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C(=O)[O-])c1 ZINC001574390714 961175782 /nfs/dbraw/zinc/17/57/82/961175782.db2.gz CDGCTPPBMVXZRN-RCCFBDPRSA-N -1 0 334.375 2.912 20 30 EFEDRM CCN(C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)[C@H](C)C(=O)[O-] ZINC001573874038 961226821 /nfs/dbraw/zinc/22/68/21/961226821.db2.gz ISOZEYYJHCONQX-CQSZACIVSA-N -1 0 339.395 2.901 20 30 EFEDRM CCN(C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C)[C@@H](C)C(=O)[O-] ZINC001573874037 961227103 /nfs/dbraw/zinc/22/71/03/961227103.db2.gz ISOZEYYJHCONQX-AWEZNQCLSA-N -1 0 339.395 2.901 20 30 EFEDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001588764220 961242764 /nfs/dbraw/zinc/24/27/64/961242764.db2.gz QISKZXOAFIGLQC-UHFFFAOYSA-N -1 0 327.340 2.586 20 30 EFEDRM CC(C)(CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001588774647 961272987 /nfs/dbraw/zinc/27/29/87/961272987.db2.gz YEHPJQANQXESQK-UHFFFAOYSA-N -1 0 343.427 2.948 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001573920366 961529547 /nfs/dbraw/zinc/52/95/47/961529547.db2.gz NBHRTRANDSSXKU-YPMHNXCESA-N -1 0 331.372 2.674 20 30 EFEDRM N#C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001574474034 961635775 /nfs/dbraw/zinc/63/57/75/961635775.db2.gz IOSLKPJWZJIEEL-KBVBSXBZSA-N -1 0 327.167 2.785 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001574478995 961646836 /nfs/dbraw/zinc/64/68/36/961646836.db2.gz AYJSIELCETTZBZ-UHFFFAOYSA-N -1 0 325.368 2.947 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001574485473 961678424 /nfs/dbraw/zinc/67/84/24/961678424.db2.gz HOOZCIOCPIONST-SECBINFHSA-N -1 0 327.167 2.802 20 30 EFEDRM N#Cc1cc(Cl)ccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001574486363 961683473 /nfs/dbraw/zinc/68/34/73/961683473.db2.gz VHNSOIFWYKBPLQ-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)cc1 ZINC001574486542 961686062 /nfs/dbraw/zinc/68/60/62/961686062.db2.gz ZYWYKSQGILVASV-UHFFFAOYSA-N -1 0 326.396 2.909 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588835471 961763533 /nfs/dbraw/zinc/76/35/33/961763533.db2.gz JPVJMMSZOXAMJD-RDTXWAMCSA-N -1 0 344.411 2.675 20 30 EFEDRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC001573983433 961780917 /nfs/dbraw/zinc/78/09/17/961780917.db2.gz RZAUETHAGFSJDV-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001574004362 961880838 /nfs/dbraw/zinc/88/08/38/961880838.db2.gz ZDFAKFZYTGHXRG-ZDUSSCGKSA-N -1 0 338.363 2.730 20 30 EFEDRM CC(C)C[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847274 961898483 /nfs/dbraw/zinc/89/84/83/961898483.db2.gz KBIJOVARIXWGNE-CYBMUJFWSA-N -1 0 341.329 2.920 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)n1 ZINC001571164075 961964101 /nfs/dbraw/zinc/96/41/01/961964101.db2.gz BJUGIURSENHGMD-VNOQCFOKSA-N -1 0 325.290 2.883 20 30 EFEDRM Cc1cc(NC(=O)[O-])ccc1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001571167661 962011309 /nfs/dbraw/zinc/01/13/09/962011309.db2.gz JKDRXDXZMYTEKL-UHFFFAOYSA-N -1 0 325.328 2.809 20 30 EFEDRM N#Cc1cccc(CN2CCOc3c(cccc3C(=O)[O-])C2)c1F ZINC001571170680 962046792 /nfs/dbraw/zinc/04/67/92/962046792.db2.gz INKMHVRSKWMLDU-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM CC(C)CN(CCC#N)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588871225 962086680 /nfs/dbraw/zinc/08/66/80/962086680.db2.gz RJVUULZBXBPGMU-HNNXBMFYSA-N -1 0 333.432 2.952 20 30 EFEDRM CCOc1cc(C#N)ccc1OCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001571180195 962149277 /nfs/dbraw/zinc/14/92/77/962149277.db2.gz XEBVYQZOKIWFOD-UHFFFAOYSA-N -1 0 328.324 2.553 20 30 EFEDRM N#Cc1ccc(CC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001571180524 962151010 /nfs/dbraw/zinc/15/10/10/962151010.db2.gz AXYHUWILNJURCB-KRWDZBQOSA-N -1 0 328.412 2.888 20 30 EFEDRM C=CCO[C@@H]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC001343708950 962168469 /nfs/dbraw/zinc/16/84/69/962168469.db2.gz ADTLSBKBEQHLJU-QWHCGFSZSA-N -1 0 335.425 2.669 20 30 EFEDRM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001571186886 962217044 /nfs/dbraw/zinc/21/70/44/962217044.db2.gz WXAVDVBIHALFEX-JQWIXIFHSA-N -1 0 329.381 2.716 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)C2CC(c3ccc(F)cc3)C2)CC1 ZINC001571191491 962260133 /nfs/dbraw/zinc/26/01/33/962260133.db2.gz UJLSXSQKUHEXPU-UHFFFAOYSA-N -1 0 330.359 2.536 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001571192566 962280334 /nfs/dbraw/zinc/28/03/34/962280334.db2.gz WBPMAPIRBUJSEC-UHFFFAOYSA-N -1 0 330.797 2.823 20 30 EFEDRM COC(=O)c1cc2cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc2s1 ZINC001574085299 962322479 /nfs/dbraw/zinc/32/24/79/962322479.db2.gz QYAKZHFDEHOHET-MRXNPFEDSA-N -1 0 346.364 2.631 20 30 EFEDRM O=C([O-])[C@@]1(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCCO1 ZINC001574640761 962349564 /nfs/dbraw/zinc/34/95/64/962349564.db2.gz IGPXBXYBVCOWTR-SFHVURJKSA-N -1 0 341.388 2.720 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001571201944 962374232 /nfs/dbraw/zinc/37/42/32/962374232.db2.gz GJKUBUPDXRSVHA-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC001574103807 962412305 /nfs/dbraw/zinc/41/23/05/962412305.db2.gz BFIZSFVKBRJHHG-OAHLLOKOSA-N -1 0 342.376 2.748 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001571215874 962496235 /nfs/dbraw/zinc/49/62/35/962496235.db2.gz BOCJTMCHXPDKGB-SSDOTTSWSA-N -1 0 334.332 2.735 20 30 EFEDRM C[C@H](CCCC(F)(F)F)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001571223660 962563847 /nfs/dbraw/zinc/56/38/47/962563847.db2.gz JMSXSGVJUBYPNP-SNVBAGLBSA-N -1 0 335.326 2.507 20 30 EFEDRM CC(C)[C@H](NC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)C(=O)[O-] ZINC001588956040 962595211 /nfs/dbraw/zinc/59/52/11/962595211.db2.gz JLGGJTQNBRDXGQ-NWDGAFQWSA-N -1 0 343.305 2.570 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC001573302612 962657734 /nfs/dbraw/zinc/65/77/34/962657734.db2.gz OFTOZZNNBXFWOX-LLVKDONJSA-N -1 0 347.168 2.580 20 30 EFEDRM C#CC[C@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001573302816 962662812 /nfs/dbraw/zinc/66/28/12/962662812.db2.gz QMDANYHSKZJAOO-LBPRGKRZSA-N -1 0 332.743 2.510 20 30 EFEDRM C#C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccccc1 ZINC001573303012 962668291 /nfs/dbraw/zinc/66/82/91/962668291.db2.gz TYIFZGSRYRBKDG-MRXNPFEDSA-N -1 0 332.359 2.899 20 30 EFEDRM C#C[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001573303077 962670425 /nfs/dbraw/zinc/67/04/25/962670425.db2.gz UTZYGSKXCQZPOG-SKDRFNHKSA-N -1 0 347.371 2.715 20 30 EFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccoc1CC(=O)[O-] ZINC001573312092 962718006 /nfs/dbraw/zinc/71/80/06/962718006.db2.gz NDMXQFDKCWOPQB-UHFFFAOYSA-N -1 0 349.346 2.656 20 30 EFEDRM C#Cc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC001573312275 962721030 /nfs/dbraw/zinc/72/10/30/962721030.db2.gz QLLKOYSDOMROSX-UHFFFAOYSA-N -1 0 325.320 2.636 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cn1 ZINC001573312503 962722810 /nfs/dbraw/zinc/72/28/10/962722810.db2.gz WAISRPHPIQQSRR-GOSISDBHSA-N -1 0 342.782 2.532 20 30 EFEDRM C#Cc1ccc(NC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(Cl)c1 ZINC001573312969 962726674 /nfs/dbraw/zinc/72/66/74/962726674.db2.gz AHHLIHDVNZMOAJ-UHFFFAOYSA-N -1 0 346.774 2.982 20 30 EFEDRM C#Cc1cncc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001573313422 962730672 /nfs/dbraw/zinc/73/06/72/962730672.db2.gz HUQQWYUIQCRWIN-SFHVURJKSA-N -1 0 342.782 2.532 20 30 EFEDRM C#Cc1ccccc1CC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001573313545 962731855 /nfs/dbraw/zinc/73/18/55/962731855.db2.gz KSZZAMLROCCPSK-VBKZILBWSA-N -1 0 333.387 2.889 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573317521 962745496 /nfs/dbraw/zinc/74/54/96/962745496.db2.gz CMRQGOXHEXMHFC-HXUWFJFHSA-N -1 0 337.375 2.819 20 30 EFEDRM C=C(C)CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001573324247 962783015 /nfs/dbraw/zinc/78/30/15/962783015.db2.gz PKIKTVRXUUVNFI-UHFFFAOYSA-N -1 0 329.356 2.786 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001573324360 962783530 /nfs/dbraw/zinc/78/35/30/962783530.db2.gz PYGLXYWXIATTMC-SNVBAGLBSA-N -1 0 338.212 2.691 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001573324962 962791315 /nfs/dbraw/zinc/79/13/15/962791315.db2.gz ADVMCONYWROIBJ-ONGXEEELSA-N -1 0 347.396 2.618 20 30 EFEDRM C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573326169 962801175 /nfs/dbraw/zinc/80/11/75/962801175.db2.gz RXCHDYUKXQBAOX-ZDUSSCGKSA-N -1 0 335.452 2.631 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(OC)ccc1Br ZINC001573337049 962864201 /nfs/dbraw/zinc/86/42/01/962864201.db2.gz KMSXPSVJAMDGDF-UHFFFAOYSA-N -1 0 328.162 2.817 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573337532 962866489 /nfs/dbraw/zinc/86/64/89/962866489.db2.gz QMLULNLMRBYEOW-UHFFFAOYSA-N -1 0 338.363 2.861 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC001573337882 962869986 /nfs/dbraw/zinc/86/99/86/962869986.db2.gz SPSPBGMAZHAGCX-AWEZNQCLSA-N -1 0 333.384 2.994 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC001573337890 962870185 /nfs/dbraw/zinc/87/01/85/962870185.db2.gz SPSPBGMAZHAGCX-CQSZACIVSA-N -1 0 333.384 2.994 20 30 EFEDRM C=C(Cl)C[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)C(=O)OCC ZINC001573339393 962888886 /nfs/dbraw/zinc/88/88/86/962888886.db2.gz RZFCUNDREXJILB-CQSZACIVSA-N -1 0 325.792 2.857 20 30 EFEDRM C=C1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)CC1 ZINC001573344112 962913209 /nfs/dbraw/zinc/91/32/09/962913209.db2.gz OOWBXSBLNOUHNJ-UHFFFAOYSA-N -1 0 341.367 2.882 20 30 EFEDRM C=CC(C)(C)CC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001573348285 962956964 /nfs/dbraw/zinc/95/69/64/962956964.db2.gz UUTPBUFXONHROK-GOSISDBHSA-N -1 0 329.400 2.598 20 30 EFEDRM C=CC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC001573350033 962962170 /nfs/dbraw/zinc/96/21/70/962962170.db2.gz ABDOQCZDRDFCNA-ZIAGYGMSSA-N -1 0 340.217 2.852 20 30 EFEDRM C=CC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC001573350030 962963094 /nfs/dbraw/zinc/96/30/94/962963094.db2.gz ABDOQCZDRDFCNA-KBPBESRZSA-N -1 0 340.217 2.852 20 30 EFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001573351953 962983809 /nfs/dbraw/zinc/98/38/09/962983809.db2.gz ZEUYDZFVWYNYDS-UHFFFAOYSA-N -1 0 331.821 2.919 20 30 EFEDRM C=CCCC[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])c1ccccc1 ZINC001573356935 963009938 /nfs/dbraw/zinc/00/99/38/963009938.db2.gz GXWWFOJLZMZRDL-IAGOWNOFSA-N -1 0 341.411 2.662 20 30 EFEDRM C=CCCC[C@@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001573357119 963013230 /nfs/dbraw/zinc/01/32/30/963013230.db2.gz JNIAFDWPQLUZMF-VQIMIIECSA-N -1 0 331.412 2.734 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)C(=O)[O-] ZINC001573357624 963017642 /nfs/dbraw/zinc/01/76/42/963017642.db2.gz PJBAKRVESLAHMQ-CYBMUJFWSA-N -1 0 335.404 2.586 20 30 EFEDRM C=CCCOCCCCC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001573360039 963030873 /nfs/dbraw/zinc/03/08/73/963030873.db2.gz DRUYIIHRLPNDDJ-UHFFFAOYSA-N -1 0 345.399 2.973 20 30 EFEDRM C=CCCOCCCCC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001573360106 963032441 /nfs/dbraw/zinc/03/24/41/963032441.db2.gz HGQVHDMFKFBNDZ-AWEZNQCLSA-N -1 0 337.338 2.615 20 30 EFEDRM C=CCCn1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)nn1 ZINC001573360844 963045019 /nfs/dbraw/zinc/04/50/19/963045019.db2.gz ZCPGYTPATFZBEK-UHFFFAOYSA-N -1 0 336.351 2.958 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(OC)cc1)C(=O)[O-] ZINC001573364814 963051322 /nfs/dbraw/zinc/05/13/22/963051322.db2.gz BUFRIZCPVWYPST-OAHLLOKOSA-N -1 0 343.383 2.625 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2)C(=O)[O-] ZINC001573366710 963061838 /nfs/dbraw/zinc/06/18/38/963061838.db2.gz PAAXOPRLALQVLH-WBMJQRKESA-N -1 0 346.427 2.841 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC001573367267 963063849 /nfs/dbraw/zinc/06/38/49/963063849.db2.gz TYWNUDQMZSSWKN-CYBMUJFWSA-N -1 0 331.821 2.736 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccn(CCc2ccccc2)n1)C(=O)[O-] ZINC001573367518 963067686 /nfs/dbraw/zinc/06/76/86/963067686.db2.gz XGSBGRZCKPJYCR-KRWDZBQOSA-N -1 0 341.411 2.665 20 30 EFEDRM C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001573369119 963092813 /nfs/dbraw/zinc/09/28/13/963092813.db2.gz OWPNVUQAOFBDKV-AUUYWEPGSA-N -1 0 331.412 2.963 20 30 EFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001573369370 963095632 /nfs/dbraw/zinc/09/56/32/963095632.db2.gz YSGOTWABCGVUGA-UHFFFAOYSA-N -1 0 347.392 2.775 20 30 EFEDRM C=C(C)Cn1c(-c2ccco2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588443071 964059526 /nfs/dbraw/zinc/05/95/26/964059526.db2.gz MUHPZEUKRQZAES-QWHCGFSZSA-N -1 0 330.388 2.661 20 30 EFEDRM C#CCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588446301 964071073 /nfs/dbraw/zinc/07/10/73/964071073.db2.gz GDUFNXRXYLZGGQ-UHFFFAOYSA-N -1 0 339.189 2.991 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)[C@H](CC)C(=O)[O-])cc1OC ZINC000846714843 969257135 /nfs/dbraw/zinc/25/71/35/969257135.db2.gz PVGFMFMFEVDCAM-QQBNSCQMSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CCC2)cc1OC ZINC000848455848 969262588 /nfs/dbraw/zinc/26/25/88/969262588.db2.gz GOBCWOPSEBEOIE-CSKARUKUSA-N -1 0 345.395 2.739 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)NCc1ccccc1C(=O)[O-])C2 ZINC000874411592 969390778 /nfs/dbraw/zinc/39/07/78/969390778.db2.gz RKJZEPNPZOXETN-UHFFFAOYSA-N -1 0 349.390 2.719 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024981 969508473 /nfs/dbraw/zinc/50/84/73/969508473.db2.gz CFLKVYSZRDKUKD-RQAXLRNASA-N -1 0 332.444 2.958 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902024581 969508820 /nfs/dbraw/zinc/50/88/20/969508820.db2.gz BBWOOXQYBQITPD-RRQGHBQHSA-N -1 0 342.439 2.969 20 30 EFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C2 ZINC000902546910 969551674 /nfs/dbraw/zinc/55/16/74/969551674.db2.gz ZFKCSUSAWQVKFC-MRXNPFEDSA-N -1 0 326.396 2.567 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001121921114 969684150 /nfs/dbraw/zinc/68/41/50/969684150.db2.gz ONEZMAUKJMSSJD-UAGQMJEPSA-N -1 0 330.428 2.926 20 30 EFEDRM Cc1cc(C(=O)N[C@H](C)CC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC001607580386 970391527 /nfs/dbraw/zinc/39/15/27/970391527.db2.gz IRTSCBANFVGVGX-LLVKDONJSA-N -1 0 325.368 2.559 20 30 EFEDRM C=CCCCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000320579035 970680715 /nfs/dbraw/zinc/68/07/15/970680715.db2.gz UBTFIHWXHIPBFF-UHFFFAOYSA-N -1 0 329.393 2.939 20 30 EFEDRM CN(CCc1cccc(C#N)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604180214 972601947 /nfs/dbraw/zinc/60/19/47/972601947.db2.gz GGLNOAISEUFRRP-UHFFFAOYSA-N -1 0 337.379 2.892 20 30 EFEDRM CN(Cc1cc(C#N)cs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001604181704 972611294 /nfs/dbraw/zinc/61/12/94/972611294.db2.gz XZKXXDAKHCYMGP-UHFFFAOYSA-N -1 0 329.381 2.660 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC000394059233 972670894 /nfs/dbraw/zinc/67/08/94/972670894.db2.gz FHNBBKRNKXHZDQ-NSHDSACASA-N -1 0 344.592 2.617 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605101818 972753844 /nfs/dbraw/zinc/75/38/44/972753844.db2.gz GEKSBPKMTILXSQ-AWEZNQCLSA-N -1 0 349.390 2.946 20 30 EFEDRM Cc1cc(Br)c(F)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605104406 972767962 /nfs/dbraw/zinc/76/79/62/972767962.db2.gz ZTSORUCQTQBPBM-ZDUSSCGKSA-N -1 0 343.152 2.840 20 30 EFEDRM CC1=Nc2ccccc2C12CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2 ZINC001603351698 972771030 /nfs/dbraw/zinc/77/10/30/972771030.db2.gz BGYYBRISLCUSKR-GOSISDBHSA-N -1 0 339.395 2.657 20 30 EFEDRM C=C(Br)CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396471231 972899527 /nfs/dbraw/zinc/89/95/27/972899527.db2.gz YGDJSSXGGJZTHW-SECBINFHSA-N -1 0 327.178 2.905 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605244655 973007957 /nfs/dbraw/zinc/00/79/57/973007957.db2.gz NTCYQJIJRHSUQB-OAHLLOKOSA-N -1 0 327.315 2.953 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605244923 973009372 /nfs/dbraw/zinc/00/93/72/973009372.db2.gz RYUPWDPLFONABN-KRWDZBQOSA-N -1 0 348.362 2.525 20 30 EFEDRM CC[C@H](C(=O)[O-])N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001603498608 973461014 /nfs/dbraw/zinc/46/10/14/973461014.db2.gz PUKXWCDZXPPVOG-OAHLLOKOSA-N -1 0 327.384 2.533 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C/c1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001605437516 973481832 /nfs/dbraw/zinc/48/18/32/973481832.db2.gz DSQZEKGBLFPMHN-HWKANZROSA-N -1 0 343.383 2.519 20 30 EFEDRM Cn1c(C#N)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001605467069 973569658 /nfs/dbraw/zinc/56/96/58/973569658.db2.gz ALSCCAQJQPHNEF-UHFFFAOYSA-N -1 0 348.156 2.610 20 30 EFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 ZINC001603593210 973799018 /nfs/dbraw/zinc/79/90/18/973799018.db2.gz DBGCDGCSAMHISQ-YOCVDRLZSA-N -1 0 333.359 2.511 20 30 EFEDRM N#Cc1ccc(Br)cc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001605597627 973900391 /nfs/dbraw/zinc/90/03/91/973900391.db2.gz XUSFVNQYVDZEKZ-QWHCGFSZSA-N -1 0 335.201 2.868 20 30 EFEDRM N#CCc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605601565 973905195 /nfs/dbraw/zinc/90/51/95/973905195.db2.gz SNCHZJFWOREVRL-KBPBESRZSA-N -1 0 326.377 2.857 20 30 EFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001605601806 973907881 /nfs/dbraw/zinc/90/78/81/973907881.db2.gz DKZVTJSKEFAOPW-LBPRGKRZSA-N -1 0 349.818 2.998 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001605601980 973909049 /nfs/dbraw/zinc/90/90/49/973909049.db2.gz IQNJWGKNIWGDLM-CVEARBPZSA-N -1 0 326.396 2.740 20 30 EFEDRM N#Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001605602015 973909408 /nfs/dbraw/zinc/90/94/08/973909408.db2.gz KQFGCCBJJKQPIO-INIZCTEOSA-N -1 0 337.335 2.650 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001605611394 973919077 /nfs/dbraw/zinc/91/90/77/973919077.db2.gz VYUHCHHIIYUSQL-UHFFFAOYSA-N -1 0 346.339 2.782 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001605612016 973922909 /nfs/dbraw/zinc/92/29/09/973922909.db2.gz HTTAUNWSMXSQOO-UHFFFAOYSA-N -1 0 328.349 2.693 20 30 EFEDRM N#Cc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1Br ZINC001605611976 973923240 /nfs/dbraw/zinc/92/32/40/973923240.db2.gz BNNQNMLUARBDID-UHFFFAOYSA-N -1 0 337.173 2.904 20 30 EFEDRM N#Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cc2)nc1 ZINC001605612654 973928028 /nfs/dbraw/zinc/92/80/28/973928028.db2.gz RJOXTUHSGTYJKG-UHFFFAOYSA-N -1 0 337.335 2.939 20 30 EFEDRM N#Cc1cccc(NC2CN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)c1 ZINC001605617456 973933331 /nfs/dbraw/zinc/93/33/31/973933331.db2.gz FIVVJOUOLVWZKU-UHFFFAOYSA-N -1 0 341.411 2.606 20 30 EFEDRM N#Cc1cccc([C@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)c1 ZINC001605617620 973936012 /nfs/dbraw/zinc/93/60/12/973936012.db2.gz QEPKXJKVGFRDRG-OAHLLOKOSA-N -1 0 343.770 2.883 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001605617805 973937044 /nfs/dbraw/zinc/93/70/44/973937044.db2.gz XAQZBMRFBPXQOP-UHFFFAOYSA-N -1 0 328.349 2.643 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc3ccccn3c2C(=O)[O-])c1 ZINC001605619997 973941411 /nfs/dbraw/zinc/94/14/11/973941411.db2.gz QHXUWOQQQKUFEV-UONOGXRCSA-N -1 0 346.346 2.646 20 30 EFEDRM N#Cc1ccccc1OCc1ccc(C(=O)NCCCCC(=O)[O-])o1 ZINC001605620200 973942240 /nfs/dbraw/zinc/94/22/40/973942240.db2.gz WLVYWVJEVXRLGK-UHFFFAOYSA-N -1 0 342.351 2.715 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603641266 973989385 /nfs/dbraw/zinc/98/93/85/973989385.db2.gz XXANCNMURDWJFE-VKJFTORMSA-N -1 0 340.464 2.726 20 30 EFEDRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001604812656 974049635 /nfs/dbraw/zinc/04/96/35/974049635.db2.gz ADDLHFBUFYBPOQ-OAHLLOKOSA-N -1 0 343.314 2.653 20 30 EFEDRM CCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H](C)C(=O)[O-] ZINC001603715509 974135830 /nfs/dbraw/zinc/13/58/30/974135830.db2.gz HOOGEORZDRBWTG-AWEZNQCLSA-N -1 0 337.379 2.808 20 30 EFEDRM CCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H](C)C(=O)[O-] ZINC001603715513 974136121 /nfs/dbraw/zinc/13/61/21/974136121.db2.gz HOOGEORZDRBWTG-CQSZACIVSA-N -1 0 337.379 2.808 20 30 EFEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)SCCC(=O)[O-] ZINC001604892554 974148424 /nfs/dbraw/zinc/14/84/24/974148424.db2.gz HHFLDEJGYFOLDR-LBPRGKRZSA-N -1 0 336.413 2.538 20 30 EFEDRM CCc1ccc(C2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC001603969052 974454399 /nfs/dbraw/zinc/45/43/99/974454399.db2.gz WLIQEKUSAINHLA-IBGZPJMESA-N -1 0 328.412 2.960 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1(CC#N)CC1 ZINC001591767129 975876855 /nfs/dbraw/zinc/87/68/55/975876855.db2.gz HNBYKKXUEGMYPH-UHFFFAOYSA-N -1 0 331.372 2.987 20 30 EFEDRM C[C@H](CC#N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001592212105 977266331 /nfs/dbraw/zinc/26/63/31/977266331.db2.gz PLDMLWHKNCMNNV-SNVBAGLBSA-N -1 0 329.381 2.925 20 30 EFEDRM C[C@H](CC#N)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001592212442 977268482 /nfs/dbraw/zinc/26/84/82/977268482.db2.gz RULRCIHRRCORQT-GMSGAONNSA-N -1 0 345.218 2.644 20 30 EFEDRM C[C@@H](CC#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001592213638 977274574 /nfs/dbraw/zinc/27/45/74/977274574.db2.gz ZEMWEFBXCIWZQV-JOYOIKCWSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001592221974 977404066 /nfs/dbraw/zinc/40/40/66/977404066.db2.gz QAMSYAZJPZCUES-ZETCQYMHSA-N -1 0 326.150 2.571 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NOCCCC(=O)[O-] ZINC001592226153 977416377 /nfs/dbraw/zinc/41/63/77/977416377.db2.gz UVTGVOJGZYXIRX-LLVKDONJSA-N -1 0 337.401 2.999 20 30 EFEDRM C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001592226470 977419456 /nfs/dbraw/zinc/41/94/56/977419456.db2.gz ZAYNSGDXYQPAAF-GXTWGEPZSA-N -1 0 347.440 2.568 20 30 EFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cc(F)cc(C#N)c1)c1ccccn1 ZINC001592289023 977603667 /nfs/dbraw/zinc/60/36/67/977603667.db2.gz BATMASQUSUTAAJ-KRWDZBQOSA-N -1 0 342.330 2.604 20 30 EFEDRM N#Cc1cc(Br)ccc1CN1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000713618353 977654758 /nfs/dbraw/zinc/65/47/58/977654758.db2.gz JZKYABFKBQMOBB-LLVKDONJSA-N -1 0 345.143 2.615 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC001592303440 977657213 /nfs/dbraw/zinc/65/72/13/977657213.db2.gz CEPXLAJOLIZALN-GOSISDBHSA-N -1 0 344.317 2.956 20 30 EFEDRM C[C@](CCF)(NC(=O)c1cn(CCCC#N)c2ccccc12)C(=O)[O-] ZINC001592497921 978304454 /nfs/dbraw/zinc/30/44/54/978304454.db2.gz QGDNJFKYGXQGDY-GOSISDBHSA-N -1 0 345.374 2.878 20 30 EFEDRM C[C@H](CC(=O)N(CC#N)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736545480 978342361 /nfs/dbraw/zinc/34/23/61/978342361.db2.gz PXXGKHHEJIQHAY-SNVBAGLBSA-N -1 0 328.290 2.636 20 30 EFEDRM C[C@H](OC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000737704781 978433467 /nfs/dbraw/zinc/43/34/67/978433467.db2.gz LHSFXHTZMKHDKK-LBPRGKRZSA-N -1 0 325.320 2.767 20 30 EFEDRM C[C@H](CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC001592552192 978437908 /nfs/dbraw/zinc/43/79/08/978437908.db2.gz QDQHJAHXHNKPGY-LLVKDONJSA-N -1 0 339.313 2.769 20 30 EFEDRM Cc1[nH]c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738154290 978487772 /nfs/dbraw/zinc/48/77/72/978487772.db2.gz IOGBVYHZLUBKKX-LBPRGKRZSA-N -1 0 331.759 2.978 20 30 EFEDRM CCc1noc(C2CCC(N=Nc3ccc(C(=O)[O-])cn3)CC2)n1 ZINC000778543786 978782503 /nfs/dbraw/zinc/78/25/03/978782503.db2.gz FYPPFDPNKBSQON-UHFFFAOYSA-N -1 0 329.360 2.851 20 30 EFEDRM C=CCN1C(=O)/C(=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)SC1=S ZINC000794687072 978815373 /nfs/dbraw/zinc/81/53/73/978815373.db2.gz FNBIZHXPIITOMA-QQMDNXKGSA-N -1 0 349.433 2.926 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc1)C(=O)[O-] ZINC000794713756 978817827 /nfs/dbraw/zinc/81/78/27/978817827.db2.gz ONDSCHGTIXSELO-FNQVVVRFSA-N -1 0 334.331 2.903 20 30 EFEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794855407 978823167 /nfs/dbraw/zinc/82/31/67/978823167.db2.gz SAADCAOPRIDUSG-UHFFFAOYSA-N -1 0 325.324 2.552 20 30 EFEDRM COc1ccccc1NC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814715620 978875804 /nfs/dbraw/zinc/87/58/04/978875804.db2.gz DUXKFLOJRIMHJL-GHMZBOCLSA-N -1 0 335.429 2.858 20 30 EFEDRM COCC(=NNc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000814768853 978882722 /nfs/dbraw/zinc/88/27/22/978882722.db2.gz NZBGFPUNSPPHFU-UHFFFAOYSA-N -1 0 329.312 2.756 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1ccccc1C(=O)[O-] ZINC000814769369 978883143 /nfs/dbraw/zinc/88/31/43/978883143.db2.gz ZAEZPPURYQXLKW-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM C[C@@H](CCc1ccc2c(c1)OCO2)NN=C1CCC(C(=O)[O-])CC1 ZINC000814924659 978898757 /nfs/dbraw/zinc/89/87/57/978898757.db2.gz WKPUHBVZQJBIGD-NBFOIZRFSA-N -1 0 332.400 2.957 20 30 EFEDRM CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2OC)[C@]12CCCO2 ZINC000819808408 978924774 /nfs/dbraw/zinc/92/47/74/978924774.db2.gz CDGGLMVCUBKVPD-NVXWUHKLSA-N -1 0 334.372 2.519 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC000819812773 978924790 /nfs/dbraw/zinc/92/47/90/978924790.db2.gz PAOWCYPPDSPQKN-NSHDSACASA-N -1 0 348.403 2.871 20 30 EFEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000820352721 978925622 /nfs/dbraw/zinc/92/56/22/978925622.db2.gz FKRVXPFCUIKOPL-WZRBSPASSA-N -1 0 326.179 2.690 20 30 EFEDRM C#CC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000820352678 978925632 /nfs/dbraw/zinc/92/56/32/978925632.db2.gz BBWSGAZESKDEQA-AVGNSLFASA-N -1 0 326.179 2.690 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccncc1 ZINC000825665245 978940485 /nfs/dbraw/zinc/94/04/85/978940485.db2.gz XCQMYIJYABYUFM-INIZCTEOSA-N -1 0 346.408 2.684 20 30 EFEDRM CC[C@@H](C)n1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C1CC1 ZINC001595024233 979126251 /nfs/dbraw/zinc/12/62/51/979126251.db2.gz RFAZOSPFYWSDSL-GFCCVEGCSA-N -1 0 344.415 2.562 20 30 EFEDRM C[C@@](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001592688571 979129340 /nfs/dbraw/zinc/12/93/40/979129340.db2.gz DXBMBNXDCHVUQS-UEXGIBASSA-N -1 0 348.402 2.820 20 30 EFEDRM CC[C@H](C)n1nccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595029781 979160527 /nfs/dbraw/zinc/16/05/27/979160527.db2.gz GDCVCWJRSLOTQX-NHYWBVRUSA-N -1 0 327.340 2.708 20 30 EFEDRM CC[C@H](C)n1nccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595029782 979160536 /nfs/dbraw/zinc/16/05/36/979160536.db2.gz GDCVCWJRSLOTQX-XHDPSFHLSA-N -1 0 327.340 2.708 20 30 EFEDRM CC[C@H](CC#N)OC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595030274 979166169 /nfs/dbraw/zinc/16/61/69/979166169.db2.gz NJDVPNSCFZLRIC-LLVKDONJSA-N -1 0 326.146 2.996 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595030361 979167039 /nfs/dbraw/zinc/16/70/39/979167039.db2.gz PCIJRNQPFNOADH-NWDGAFQWSA-N -1 0 343.305 2.980 20 30 EFEDRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000833508995 979196182 /nfs/dbraw/zinc/19/61/82/979196182.db2.gz ZQYGSBYOTDVYCY-NEPJUHHUSA-N -1 0 344.198 2.966 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000836750887 979254550 /nfs/dbraw/zinc/25/45/50/979254550.db2.gz HXTSNAIZDHZLBH-JTQLQIEISA-N -1 0 349.330 2.684 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001595053372 979286277 /nfs/dbraw/zinc/28/62/77/979286277.db2.gz KTIQGXTYXBWSBY-UHFFFAOYSA-N -1 0 340.383 2.507 20 30 EFEDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001595053374 979286308 /nfs/dbraw/zinc/28/63/08/979286308.db2.gz KOGYWNUFWRMETH-UHFFFAOYSA-N -1 0 341.367 2.977 20 30 EFEDRM C[C@@H](CO)N(C)N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001592762213 979355770 /nfs/dbraw/zinc/35/57/70/979355770.db2.gz PHGHRFNQGIRKFW-AWEZNQCLSA-N -1 0 342.395 2.610 20 30 EFEDRM CCC(CC)CN(CC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595111209 979455820 /nfs/dbraw/zinc/45/58/20/979455820.db2.gz AFXKVFFJBUGHMA-UHFFFAOYSA-N -1 0 338.429 2.703 20 30 EFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595111596 979459396 /nfs/dbraw/zinc/45/93/96/979459396.db2.gz OVMOTVXXNMXEID-UHFFFAOYSA-N -1 0 344.458 2.787 20 30 EFEDRM CC[C@](C/N=C/c1ccc(O)c(O)c1O)(C(=O)[O-])c1ccccc1 ZINC001595131558 979555366 /nfs/dbraw/zinc/55/53/66/979555366.db2.gz XCNOLUBYOYILLY-HRYJJRBTSA-N -1 0 329.352 2.655 20 30 EFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC001592849019 979634733 /nfs/dbraw/zinc/63/47/33/979634733.db2.gz ZNLOPLQLQXFVKT-GOSISDBHSA-N -1 0 344.317 2.652 20 30 EFEDRM CC[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC001595165868 979710614 /nfs/dbraw/zinc/71/06/14/979710614.db2.gz JAJGIHXCRVRNQZ-CYBMUJFWSA-N -1 0 342.351 2.571 20 30 EFEDRM CC[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC001595165869 979710804 /nfs/dbraw/zinc/71/08/04/979710804.db2.gz JAJGIHXCRVRNQZ-ZDUSSCGKSA-N -1 0 342.351 2.571 20 30 EFEDRM C[C@@H](Cc1ccc(NC(=O)NCC#C[C@@H]2CCCCO2)cc1)C(=O)[O-] ZINC001592866549 979711507 /nfs/dbraw/zinc/71/15/07/979711507.db2.gz KTGKWTGHTWPOGX-YOEHRIQHSA-N -1 0 344.411 2.644 20 30 EFEDRM CC[C@H](COC(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC001595181030 979793797 /nfs/dbraw/zinc/79/37/97/979793797.db2.gz BWBIVHPDPXMYMF-GFCCVEGCSA-N -1 0 343.335 2.998 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC000864187394 979833852 /nfs/dbraw/zinc/83/38/52/979833852.db2.gz KGEAHFFXPIEGBL-ZDUSSCGKSA-N -1 0 342.436 2.558 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC000864187393 979833865 /nfs/dbraw/zinc/83/38/65/979833865.db2.gz KGEAHFFXPIEGBL-CYBMUJFWSA-N -1 0 342.436 2.558 20 30 EFEDRM C[C@@H](NC(=O)CC#Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593011271 980245760 /nfs/dbraw/zinc/24/57/60/980245760.db2.gz OSSSBXWNFRGYSR-VQIMIIECSA-N -1 0 335.403 2.876 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000900399854 980251665 /nfs/dbraw/zinc/25/16/65/980251665.db2.gz ICGPRLOVURVJTG-WDEREUQCSA-N -1 0 325.290 2.519 20 30 EFEDRM C[C@H]1CC(NN=Cc2cn(CC(=O)[O-])c3ccccc23)C[C@H](C)O1 ZINC000901302160 980260754 /nfs/dbraw/zinc/26/07/54/980260754.db2.gz JGTXPQBVRWZHDL-STQMWFEESA-N -1 0 329.400 2.605 20 30 EFEDRM CCn1nnc(C)c1/C=C1/CCCc2cc(C(=O)[O-])ccc2C1=O ZINC000901528444 980356460 /nfs/dbraw/zinc/35/64/60/980356460.db2.gz XUOUOAKCXYWDJS-RAXLEYEMSA-N -1 0 325.368 2.907 20 30 EFEDRM C=CCOC[C@@H](NCc1cnc(-c2ccccc2F)s1)C(=O)[O-] ZINC000901811097 980532662 /nfs/dbraw/zinc/53/26/62/980532662.db2.gz PLMKEAVJNDSXPD-CQSZACIVSA-N -1 0 336.388 2.695 20 30 EFEDRM CC[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](C)C(=O)[O-] ZINC001595353131 980678270 /nfs/dbraw/zinc/67/82/70/980678270.db2.gz NKZWHPVSURHDBD-OIBJUYFYSA-N -1 0 330.262 2.628 20 30 EFEDRM C=CCOc1ccc(CN2CCOC[C@@H]2CC(=O)[O-])cc1Cl ZINC000902002989 980681790 /nfs/dbraw/zinc/68/17/90/980681790.db2.gz UQWRHWOVFYDPFV-ZDUSSCGKSA-N -1 0 325.792 2.580 20 30 EFEDRM CC[C@@H](OC1CCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595355690 980704506 /nfs/dbraw/zinc/70/45/06/980704506.db2.gz JOXOBBXJEIJYCZ-CVEARBPZSA-N -1 0 331.368 2.965 20 30 EFEDRM CC[C@H](OC1CCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001595355691 980704636 /nfs/dbraw/zinc/70/46/36/980704636.db2.gz JOXOBBXJEIJYCZ-HOTGVXAUSA-N -1 0 331.368 2.965 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902151529 980759350 /nfs/dbraw/zinc/75/93/50/980759350.db2.gz ZOUVZKKYWGYKPE-UHFFFAOYSA-N -1 0 340.379 2.592 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000902969999 980948158 /nfs/dbraw/zinc/94/81/58/980948158.db2.gz HUPWDZXYFNTSMG-UHFFFAOYSA-N -1 0 337.441 2.681 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC000902980165 980948575 /nfs/dbraw/zinc/94/85/75/980948575.db2.gz YEBNMAZUHQJPEN-GFCCVEGCSA-N -1 0 341.429 2.554 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)C(=O)[O-] ZINC000903059648 980957801 /nfs/dbraw/zinc/95/78/01/980957801.db2.gz SRVHAXXEXCRPNN-NWDGAFQWSA-N -1 0 339.404 2.541 20 30 EFEDRM CCOCc1nc(C)cc(N=NCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000905500517 981118835 /nfs/dbraw/zinc/11/88/35/981118835.db2.gz UWJXTBDYPWZAIT-UHFFFAOYSA-N -1 0 332.335 2.605 20 30 EFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001595533184 981374602 /nfs/dbraw/zinc/37/46/02/981374602.db2.gz UALGGLWAYROHSQ-UHFFFAOYSA-N -1 0 330.431 2.587 20 30 EFEDRM CCCC[C@H](C(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC001595629759 981806960 /nfs/dbraw/zinc/80/69/60/981806960.db2.gz NNKNGGPHFQLSPY-CYBMUJFWSA-N -1 0 329.805 2.770 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccccc1OCC#N ZINC001594792791 981863699 /nfs/dbraw/zinc/86/36/99/981863699.db2.gz REGIVJOVOUSHFQ-GOSISDBHSA-N -1 0 330.384 2.694 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594883934 982257636 /nfs/dbraw/zinc/25/76/36/982257636.db2.gz DSFORUGTENWMJV-QMTHXVAHSA-N -1 0 327.302 2.672 20 30 EFEDRM CCCCCCCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595704392 982274456 /nfs/dbraw/zinc/27/44/56/982274456.db2.gz JKFYFTYNDKDJBT-UHFFFAOYSA-N -1 0 338.429 2.895 20 30 EFEDRM CCCCCCCCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001595704641 982278225 /nfs/dbraw/zinc/27/82/25/982278225.db2.gz FWQSDNYKHKNJAX-UHFFFAOYSA-N -1 0 336.436 2.890 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001595705228 982282344 /nfs/dbraw/zinc/28/23/44/982282344.db2.gz SFNQDDUIUJXEQF-CABCVRRESA-N -1 0 328.453 2.868 20 30 EFEDRM CCCCCCC[C@@H](C)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001595705230 982283026 /nfs/dbraw/zinc/28/30/26/982283026.db2.gz SFNQDDUIUJXEQF-HUUCEWRRSA-N -1 0 328.453 2.868 20 30 EFEDRM CC[C@@H](C)[C@@H](NC(=O)CSc1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001594901363 982355413 /nfs/dbraw/zinc/35/54/13/982355413.db2.gz FXLJBKKFSBCRKB-YMTOWFKASA-N -1 0 340.832 2.919 20 30 EFEDRM CCCCn1cc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001595805572 982632019 /nfs/dbraw/zinc/63/20/19/982632019.db2.gz XRJJRPLRCULBSU-UHFFFAOYSA-N -1 0 340.379 2.898 20 30 EFEDRM CCCCn1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1C ZINC001595807852 982635547 /nfs/dbraw/zinc/63/55/47/982635547.db2.gz VDULMGROXPYMAY-UHFFFAOYSA-N -1 0 341.367 2.919 20 30 EFEDRM N#C[C@]1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CC12CCCC2 ZINC000923065778 982703974 /nfs/dbraw/zinc/70/39/74/982703974.db2.gz SUZHLKNEIBYYQW-LIRRHRJNSA-N -1 0 344.386 2.659 20 30 EFEDRM N#C[C@@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC2CCC1CC2 ZINC000923069488 982705378 /nfs/dbraw/zinc/70/53/78/982705378.db2.gz OXRHNYOHAVHLJB-JLICYHETSA-N -1 0 338.407 2.990 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000923078261 982710051 /nfs/dbraw/zinc/71/00/51/982710051.db2.gz FQZVBPXVXFSKHB-IBGZPJMESA-N -1 0 342.395 2.526 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000923084193 982714180 /nfs/dbraw/zinc/71/41/80/982714180.db2.gz WTRPQDPVDPQZBN-YYFZDKIDSA-N -1 0 340.423 2.909 20 30 EFEDRM N#C[C@@]1(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC2CCC1CC2 ZINC000923098657 982723086 /nfs/dbraw/zinc/72/30/86/982723086.db2.gz YODADPFDJIILJD-IELXDLANSA-N -1 0 338.407 2.990 20 30 EFEDRM N#C[C@@]1(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC2CCC1CC2 ZINC000923101831 982725362 /nfs/dbraw/zinc/72/53/62/982725362.db2.gz JJRIIDOFAYQVNF-KJXMEXGPSA-N -1 0 326.396 2.650 20 30 EFEDRM CC[C@@H](C)NC(=O)c1ccc(Nc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001594992388 982861612 /nfs/dbraw/zinc/86/16/12/982861612.db2.gz VCBPLHAJOFQDEE-LLVKDONJSA-N -1 0 338.367 2.923 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C1 ZINC001118889700 982964449 /nfs/dbraw/zinc/96/44/49/982964449.db2.gz QSAJXLLIIHTEFR-NSHDSACASA-N -1 0 334.376 2.625 20 30 EFEDRM C#C[C@](C)(CC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588367396 983298563 /nfs/dbraw/zinc/29/85/63/983298563.db2.gz SFHVDTKXPKBHDE-GOSISDBHSA-N -1 0 341.367 2.622 20 30 EFEDRM C#C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc(Cl)cc1 ZINC001588371942 983326543 /nfs/dbraw/zinc/32/65/43/983326543.db2.gz AOFRSMIVQYVKIK-XHSDSOJGSA-N -1 0 346.814 2.767 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001588372081 983327861 /nfs/dbraw/zinc/32/78/61/983327861.db2.gz CMSIKIKNUOQLRI-HUUCEWRRSA-N -1 0 346.814 2.911 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588372108 983328037 /nfs/dbraw/zinc/32/80/37/983328037.db2.gz DEMAJZATQWFCPC-ZYHUDNBSSA-N -1 0 329.381 2.576 20 30 EFEDRM C#C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001588372098 983328078 /nfs/dbraw/zinc/32/80/78/983328078.db2.gz DAFHHOPUNXATGO-LBPRGKRZSA-N -1 0 326.755 2.563 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372641 983332879 /nfs/dbraw/zinc/33/28/79/983332879.db2.gz PTADCZIQUNIIGO-WMLDXEAASA-N -1 0 334.803 2.911 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588372640 983333086 /nfs/dbraw/zinc/33/30/86/983333086.db2.gz PTADCZIQUNIIGO-RHSMWYFYSA-N -1 0 334.803 2.911 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC001588372820 983334168 /nfs/dbraw/zinc/33/41/68/983334168.db2.gz TYNNQGBDAINDOT-MRXNPFEDSA-N -1 0 332.375 2.786 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588373107 983336824 /nfs/dbraw/zinc/33/68/24/983336824.db2.gz AAZSSSFUMQWNEG-INIZCTEOSA-N -1 0 338.363 2.567 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])c1ccccc1 ZINC001588376680 983353315 /nfs/dbraw/zinc/35/33/15/983353315.db2.gz WQBUYVMPEPOHPW-ZDUSSCGKSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001588377656 983358719 /nfs/dbraw/zinc/35/87/19/983358719.db2.gz PFGMJDRNTWANSN-AWEZNQCLSA-N -1 0 349.795 2.691 20 30 EFEDRM C#C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@@H]1CCCO1 ZINC001588377944 983359926 /nfs/dbraw/zinc/35/99/26/983359926.db2.gz SNIWGVDCAMOYLX-OALUTQOASA-N -1 0 349.386 2.962 20 30 EFEDRM C#C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@@H]1CCCO1 ZINC001588377940 983360232 /nfs/dbraw/zinc/36/02/32/983360232.db2.gz SNIWGVDCAMOYLX-MOPGFXCFSA-N -1 0 349.386 2.962 20 30 EFEDRM C#CC1CCC(c2nnc(N3CC[C@H](C(=O)[O-])[C@H](C)C3)n2CC)CC1 ZINC001588382357 983370650 /nfs/dbraw/zinc/37/06/50/983370650.db2.gz NENLIJCIWNTKAQ-LMPOIIKSSA-N -1 0 344.459 2.752 20 30 EFEDRM C#C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001588382800 983374657 /nfs/dbraw/zinc/37/46/57/983374657.db2.gz JEMFLEUNXQDABU-ZDUSSCGKSA-N -1 0 343.404 2.572 20 30 EFEDRM C#CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588383867 983385136 /nfs/dbraw/zinc/38/51/36/983385136.db2.gz NIYZQTSDEFXDQB-UHFFFAOYSA-N -1 0 336.775 2.985 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1CC=C ZINC001588389793 983388907 /nfs/dbraw/zinc/38/89/07/983388907.db2.gz BFFNUAFSZSQJIA-OAHLLOKOSA-N -1 0 344.459 2.846 20 30 EFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1CC ZINC001588390198 983392119 /nfs/dbraw/zinc/39/21/19/983392119.db2.gz NQRYQJIRGLYSDP-CQSZACIVSA-N -1 0 346.475 2.926 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1CC1CC1 ZINC001588390471 983394453 /nfs/dbraw/zinc/39/44/53/983394453.db2.gz VTBTYTFJDAJOQP-KBMXLJTQSA-N -1 0 344.459 2.752 20 30 EFEDRM C#CCC(CC#C)C(=O)OCc1ccc(C(=O)[O-])cc1Br ZINC001588390557 983394739 /nfs/dbraw/zinc/39/47/39/983394739.db2.gz XYILHBYZDSDETD-UHFFFAOYSA-N -1 0 349.180 2.853 20 30 EFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001588394342 983402485 /nfs/dbraw/zinc/40/24/85/983402485.db2.gz KVFCVMNWSWNCCC-OAHLLOKOSA-N -1 0 338.407 2.948 20 30 EFEDRM C#CC[C@H](CCOC)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588395872 983406805 /nfs/dbraw/zinc/40/68/05/983406805.db2.gz VBBFEEZXMVQSBY-HZPDHXFCSA-N -1 0 346.427 2.566 20 30 EFEDRM C#CC[C@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccccc1 ZINC001588407375 983428013 /nfs/dbraw/zinc/42/80/13/983428013.db2.gz HDNWLJCROLLWFA-ALYAQQCSSA-N -1 0 326.396 2.550 20 30 EFEDRM C#CC[C@@H](NC(=O)c1c(F)ccc(SCC2CC2)c1F)C(=O)[O-] ZINC001588414466 983434134 /nfs/dbraw/zinc/43/41/34/983434134.db2.gz TUMDTRZDUPKVEE-LLVKDONJSA-N -1 0 339.363 2.673 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccccc1SCc1cscn1)C(=O)[O-] ZINC001588416464 983436817 /nfs/dbraw/zinc/43/68/17/983436817.db2.gz MRVBFZQVSYCLGN-ZDUSSCGKSA-N -1 0 346.433 2.642 20 30 EFEDRM C#CC[C@@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC001588423369 983452366 /nfs/dbraw/zinc/45/23/66/983452366.db2.gz DNZVKANPPWTFEG-OAHLLOKOSA-N -1 0 330.409 2.597 20 30 EFEDRM C#CCC1(NC(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC001588427646 983457316 /nfs/dbraw/zinc/45/73/16/983457316.db2.gz HAWFIDFRPQBYQS-LLVKDONJSA-N -1 0 334.347 2.745 20 30 EFEDRM CCCn1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1C ZINC001596121425 983458525 /nfs/dbraw/zinc/45/85/25/983458525.db2.gz VDYXEBNRYUZDAL-UHFFFAOYSA-N -1 0 341.367 2.837 20 30 EFEDRM C#CCC1(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCCCC1 ZINC001588431709 983465442 /nfs/dbraw/zinc/46/54/42/983465442.db2.gz MHNJJQKRRMAFOW-DHZHZOJOSA-N -1 0 347.436 2.789 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588434160 983468910 /nfs/dbraw/zinc/46/89/10/983468910.db2.gz HGQXBLQOTAYQQN-GDBMZVCRSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001588434161 983469166 /nfs/dbraw/zinc/46/91/66/983469166.db2.gz HGQXBLQOTAYQQN-GOEBONIOSA-N -1 0 328.412 2.893 20 30 EFEDRM C#CC[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC001588434455 983470045 /nfs/dbraw/zinc/47/00/45/983470045.db2.gz KFONCCHMESAICH-LLVKDONJSA-N -1 0 336.775 2.681 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001588455176 983478647 /nfs/dbraw/zinc/47/86/47/983478647.db2.gz GAAYPMAKAKGOIG-UHFFFAOYSA-N -1 0 349.386 2.985 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001588455389 983479574 /nfs/dbraw/zinc/47/95/74/983479574.db2.gz LYYMTBCFJZKXTP-HNNXBMFYSA-N -1 0 329.377 2.706 20 30 EFEDRM C#CCCOc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001588455881 983480968 /nfs/dbraw/zinc/48/09/68/983480968.db2.gz VALJYKAWTRUKEV-QFBILLFUSA-N -1 0 329.396 2.852 20 30 EFEDRM C#CCN(C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C1CCCC1 ZINC001588459710 983485747 /nfs/dbraw/zinc/48/57/47/983485747.db2.gz IVLBTQMJOYMNNF-NSHDSACASA-N -1 0 347.440 2.742 20 30 EFEDRM C#CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC001588459994 983486639 /nfs/dbraw/zinc/48/66/39/983486639.db2.gz OZLZSEHQKHAGSU-UHFFFAOYSA-N -1 0 338.363 2.933 20 30 EFEDRM C#CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCc2ccccc21 ZINC001588461497 983490212 /nfs/dbraw/zinc/49/02/12/983490212.db2.gz RXDHZWIOZIFAFW-SFHVURJKSA-N -1 0 334.375 2.933 20 30 EFEDRM C#CCN(C(=S)NCCCC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001588461564 983490422 /nfs/dbraw/zinc/49/04/22/983490422.db2.gz TWPREWNOLKSTLH-MRXNPFEDSA-N -1 0 330.453 2.739 20 30 EFEDRM C#CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001588466077 983498312 /nfs/dbraw/zinc/49/83/12/983498312.db2.gz UMTYCRXYZUKGFI-HNNXBMFYSA-N -1 0 337.803 2.743 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588469770 983503503 /nfs/dbraw/zinc/50/35/03/983503503.db2.gz QOHFZFZVIUIADO-GOEBONIOSA-N -1 0 332.375 2.614 20 30 EFEDRM CCN(C(=O)c1ccc(C(=O)[O-])n1C)[C@H](C)c1ccc(C#N)cc1 ZINC001596165052 983528682 /nfs/dbraw/zinc/52/86/82/983528682.db2.gz IXZKHBVLXFOWEK-GFCCVEGCSA-N -1 0 325.368 2.818 20 30 EFEDRM C#CCOc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001588498090 983543458 /nfs/dbraw/zinc/54/34/58/983543458.db2.gz VVDTZCARRVBPPR-QAPCUYQASA-N -1 0 328.368 2.560 20 30 EFEDRM C#CCOc1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588499215 983544986 /nfs/dbraw/zinc/54/49/86/983544986.db2.gz QXRPKDWUFLGAAG-UHFFFAOYSA-N -1 0 335.359 2.990 20 30 EFEDRM C#CCON=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588499312 983545329 /nfs/dbraw/zinc/54/53/29/983545329.db2.gz XAAFUSPYXLBHJQ-UHFFFAOYSA-N -1 0 329.308 2.549 20 30 EFEDRM C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ocnc1C(=O)[O-] ZINC001588504014 983546197 /nfs/dbraw/zinc/54/61/97/983546197.db2.gz DDXQMJNFFBLRJS-LBPRGKRZSA-N -1 0 343.335 2.622 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588505139 983549708 /nfs/dbraw/zinc/54/97/08/983549708.db2.gz VBNPJXJIAXAPLB-AUUYWEPGSA-N -1 0 342.395 2.807 20 30 EFEDRM C#CCSCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588506569 983552253 /nfs/dbraw/zinc/55/22/53/983552253.db2.gz XCXQPXJQIZPLPE-UHFFFAOYSA-N -1 0 346.433 2.742 20 30 EFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)[O-])cc2C)n1 ZINC001588509798 983553597 /nfs/dbraw/zinc/55/35/97/983553597.db2.gz NJPONYNAPMEUQI-UHFFFAOYSA-N -1 0 340.383 2.577 20 30 EFEDRM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001588511301 983559185 /nfs/dbraw/zinc/55/91/85/983559185.db2.gz UDIZVKLKXVLVGH-WRWLIDTKSA-N -1 0 340.423 2.616 20 30 EFEDRM C#Cc1ccc([C@@H](OC(=O)[C@H]2CC[C@H]2C(=O)[O-])C(F)(F)F)cc1 ZINC001588516714 983561959 /nfs/dbraw/zinc/56/19/59/983561959.db2.gz XQBGJDHUVKTCLV-FRRDWIJNSA-N -1 0 326.270 2.925 20 30 EFEDRM C#Cc1cccc(CNC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)c1 ZINC001588522401 983571167 /nfs/dbraw/zinc/57/11/67/983571167.db2.gz WFYDXTAIBVTDOL-UHFFFAOYSA-N -1 0 343.408 2.808 20 30 EFEDRM C#Cc1cccc(NC(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001588524942 983576642 /nfs/dbraw/zinc/57/66/42/983576642.db2.gz ZLFDZSMFNYJZCF-LBPRGKRZSA-N -1 0 341.392 2.844 20 30 EFEDRM C=C(Br)CNC(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588529233 983580269 /nfs/dbraw/zinc/58/02/69/983580269.db2.gz UCMOPQMUQRPXBH-UHFFFAOYSA-N -1 0 343.177 2.561 20 30 EFEDRM C#Cc1cncc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC001588529477 983581813 /nfs/dbraw/zinc/58/18/13/983581813.db2.gz ZWKTVJVEXNFFFM-UHFFFAOYSA-N -1 0 336.372 2.906 20 30 EFEDRM C=C(C)C(C)(C)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588530127 983583547 /nfs/dbraw/zinc/58/35/47/983583547.db2.gz RADLKZQEQFQGLG-LBPRGKRZSA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC001588533915 983584610 /nfs/dbraw/zinc/58/46/10/983584610.db2.gz CHHKRQCQMYPIKY-CYBMUJFWSA-N -1 0 345.367 2.509 20 30 EFEDRM C=C(C)[C@@H](NC(=O)NCCSCC(=O)[O-])c1ccc(F)c(F)c1 ZINC001588533876 983584683 /nfs/dbraw/zinc/58/46/83/983584683.db2.gz BMEKREDIUSEBTR-CQSZACIVSA-N -1 0 344.383 2.699 20 30 EFEDRM CCN(CC#N)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001596200305 983585022 /nfs/dbraw/zinc/58/50/22/983585022.db2.gz SUDSGIZWOJAYKK-UHFFFAOYSA-N -1 0 344.367 2.911 20 30 EFEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)OCC ZINC001588534844 983586971 /nfs/dbraw/zinc/58/69/71/983586971.db2.gz JONHREVUIBCDGB-AWEZNQCLSA-N -1 0 336.344 2.911 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001588534996 983587536 /nfs/dbraw/zinc/58/75/36/983587536.db2.gz DUWGOHSCDKOZAO-RNCFNFMXSA-N -1 0 339.779 2.536 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)C(=O)[O-] ZINC001588534963 983587553 /nfs/dbraw/zinc/58/75/53/983587553.db2.gz DLBAMSHVTCNUQR-WDEREUQCSA-N -1 0 336.363 2.569 20 30 EFEDRM C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588535769 983590688 /nfs/dbraw/zinc/59/06/88/983590688.db2.gz LQPFPMLNQGHHCC-STQMWFEESA-N -1 0 333.384 2.535 20 30 EFEDRM C=C(C)C[C@@H](C)C(=O)O[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588536960 983596739 /nfs/dbraw/zinc/59/67/39/983596739.db2.gz WBSJWPWGXJMYAZ-PWSUYJOCSA-N -1 0 337.397 2.697 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)[O-] ZINC001588542799 983609568 /nfs/dbraw/zinc/60/95/68/983609568.db2.gz RMCKMAXTVPMXCJ-LVQVYYBASA-N -1 0 325.449 2.999 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)ncc1Br)C(=O)[O-] ZINC001588543098 983610620 /nfs/dbraw/zinc/61/06/20/983610620.db2.gz DANOAMCMEDPAPK-SECBINFHSA-N -1 0 347.596 2.647 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)C(=O)[O-] ZINC001588543092 983610625 /nfs/dbraw/zinc/61/06/25/983610625.db2.gz CZJLKGIMGGWYPB-INIZCTEOSA-N -1 0 327.384 2.843 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC001588543723 983612409 /nfs/dbraw/zinc/61/24/09/983612409.db2.gz NAKKICNRWTUEPI-LLVKDONJSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001588548317 983623915 /nfs/dbraw/zinc/62/39/15/983623915.db2.gz POLUTWFKDAMOQQ-GFCCVEGCSA-N -1 0 349.387 2.578 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)C(=O)[O-] ZINC001588548706 983625201 /nfs/dbraw/zinc/62/52/01/983625201.db2.gz SPOYJVGEVZTXAE-CQSZACIVSA-N -1 0 327.336 2.660 20 30 EFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001588548984 983626113 /nfs/dbraw/zinc/62/61/13/983626113.db2.gz ZYHNKKWFUWPSND-AWEZNQCLSA-N -1 0 339.775 2.552 20 30 EFEDRM C=C(C)C[C@H]1NC(=O)N(c2cccc(CSCCC(=O)[O-])c2)C1=O ZINC001588554284 983630146 /nfs/dbraw/zinc/63/01/46/983630146.db2.gz CHBSEXZYBZJNJT-CQSZACIVSA-N -1 0 348.424 2.786 20 30 EFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(CCC)ccc1Cl)C(=O)[O-] ZINC001588555856 983637853 /nfs/dbraw/zinc/63/78/53/983637853.db2.gz UXWQCCVSRUJYLQ-CYBMUJFWSA-N -1 0 345.848 2.990 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001588567343 983647015 /nfs/dbraw/zinc/64/70/15/983647015.db2.gz KBBVUGBOUOXRGK-UHFFFAOYSA-N -1 0 343.379 2.997 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001588567724 983647775 /nfs/dbraw/zinc/64/77/75/983647775.db2.gz RATNIGLFPHCLTL-UHFFFAOYSA-N -1 0 335.381 2.745 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588568004 983648308 /nfs/dbraw/zinc/64/83/08/983648308.db2.gz YUFQTDDQRQBYQG-CVEARBPZSA-N -1 0 337.441 2.648 20 30 EFEDRM C=C(C)CNC(=S)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001588569428 983648846 /nfs/dbraw/zinc/64/88/46/983648846.db2.gz BBHPASPZROAOEA-UHFFFAOYSA-N -1 0 329.425 2.675 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588579276 983660995 /nfs/dbraw/zinc/66/09/95/983660995.db2.gz YBVPMTUGFLEZGF-KRWDZBQOSA-N -1 0 348.353 2.663 20 30 EFEDRM C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588579278 983661215 /nfs/dbraw/zinc/66/12/15/983661215.db2.gz YBVPMTUGFLEZGF-QGZVFWFLSA-N -1 0 348.353 2.663 20 30 EFEDRM C=C(C)Cn1c(-c2nccs2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588588844 983664915 /nfs/dbraw/zinc/66/49/15/983664915.db2.gz BBWMPLHTPSNTBL-INIZCTEOSA-N -1 0 347.444 2.669 20 30 EFEDRM C=C(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588589767 983668368 /nfs/dbraw/zinc/66/83/68/983668368.db2.gz TWSVRVJQOQFDPQ-KBXCAEBGSA-N -1 0 345.447 2.953 20 30 EFEDRM C=C(C)Cn1c([C@H](C)CCC#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588589763 983668485 /nfs/dbraw/zinc/66/84/85/983668485.db2.gz SYEYGIFCDJEHKK-QLFBSQMISA-N -1 0 345.447 2.808 20 30 EFEDRM C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588591342 983672447 /nfs/dbraw/zinc/67/24/47/983672447.db2.gz HXJCIKSIAVJNSI-NWDGAFQWSA-N -1 0 340.374 2.668 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588591686 983673891 /nfs/dbraw/zinc/67/38/91/983673891.db2.gz LOTQUTQGISGLAV-CABCVRRESA-N -1 0 343.431 2.562 20 30 EFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588591710 983674198 /nfs/dbraw/zinc/67/41/98/983674198.db2.gz LXTMLGFTCALXPV-MCIONIFRSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588592390 983677718 /nfs/dbraw/zinc/67/77/18/983677718.db2.gz XHZGIIZQBGNRLP-BLLLJJGKSA-N -1 0 336.461 2.723 20 30 EFEDRM C=C(C)Cn1c(Cc2csc(C)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588598761 983685951 /nfs/dbraw/zinc/68/59/51/983685951.db2.gz NMCZADQYMJFUIU-AWEZNQCLSA-N -1 0 346.456 2.726 20 30 EFEDRM C=C(C)Cn1c(N2CCC(CCC(=O)[O-])CC2)nnc1C1(OC)CC1 ZINC001588598751 983686004 /nfs/dbraw/zinc/68/60/04/983686004.db2.gz NCZKRVLVNJFOFQ-UHFFFAOYSA-N -1 0 348.447 2.571 20 30 EFEDRM C=C(C)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001588598763 983686015 /nfs/dbraw/zinc/68/60/15/983686015.db2.gz NMHVPSPXFYDKTE-GOSISDBHSA-N -1 0 346.431 2.695 20 30 EFEDRM C=C(CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588605798 983694803 /nfs/dbraw/zinc/69/48/03/983694803.db2.gz NLEBTCBGWVFQEG-GFCCVEGCSA-N -1 0 326.190 2.999 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCc1cccc(Br)c1 ZINC001588606744 983698588 /nfs/dbraw/zinc/69/85/88/983698588.db2.gz HYSUIECLFXUMCA-UHFFFAOYSA-N -1 0 340.217 2.871 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001588612213 983702137 /nfs/dbraw/zinc/70/21/37/983702137.db2.gz KYMCHRCHKRKFLN-RKDXNWHRSA-N -1 0 347.255 2.997 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 ZINC001588614454 983707523 /nfs/dbraw/zinc/70/75/23/983707523.db2.gz VVQHEVWEWZHLHR-GOSISDBHSA-N -1 0 339.432 2.768 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001588615315 983711453 /nfs/dbraw/zinc/71/14/53/983711453.db2.gz QBFRENGQWGOTBZ-AWEZNQCLSA-N -1 0 339.432 2.910 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2cc(Br)ccc2C1 ZINC001588618915 983713856 /nfs/dbraw/zinc/71/38/56/983713856.db2.gz FELXZNNMPRBCIT-UHFFFAOYSA-N -1 0 338.201 2.755 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001588621592 983720112 /nfs/dbraw/zinc/72/01/12/983720112.db2.gz HFHLIESBWKZTGW-CYBMUJFWSA-N -1 0 345.317 2.666 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC001588623287 983727543 /nfs/dbraw/zinc/72/75/43/983727543.db2.gz OCWIAQMPDMJENO-SFHVURJKSA-N -1 0 339.391 2.924 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC001588623766 983729565 /nfs/dbraw/zinc/72/95/65/983729565.db2.gz WRPTXIWTRMTBDW-LLVKDONJSA-N -1 0 332.183 2.564 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 ZINC001588629287 983736621 /nfs/dbraw/zinc/73/66/21/983736621.db2.gz FFCKYFUIOWTPCB-LRDDRELGSA-N -1 0 330.384 2.807 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC001588629713 983739107 /nfs/dbraw/zinc/73/91/07/983739107.db2.gz RGWHLAFJGJQJLK-UHFFFAOYSA-N -1 0 336.775 2.826 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001588629771 983739344 /nfs/dbraw/zinc/73/93/44/983739344.db2.gz KBCMGJMZKXNOSS-UHFFFAOYSA-N -1 0 331.290 2.665 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(C)c(Br)ccc1O ZINC001588630513 983744494 /nfs/dbraw/zinc/74/44/94/983744494.db2.gz ORCICZCHVIPRNC-UHFFFAOYSA-N -1 0 328.162 2.823 20 30 EFEDRM C=C(CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001588636929 983757551 /nfs/dbraw/zinc/75/75/51/983757551.db2.gz ZLLMDHBVIPZDKA-LLVKDONJSA-N -1 0 331.397 2.915 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)CC(=O)[O-])s1 ZINC001588643391 983766247 /nfs/dbraw/zinc/76/62/47/983766247.db2.gz IGHQCICJNQCWLO-UHFFFAOYSA-N -1 0 348.877 2.772 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588644491 983769909 /nfs/dbraw/zinc/76/99/09/983769909.db2.gz XZRJRMJAFNGWAI-PHIMTYICSA-N -1 0 345.424 2.674 20 30 EFEDRM C=C1CCC(CNC(=O)C(=O)Nc2scc(C)c2C(=O)[O-])CC1 ZINC001588649933 983771282 /nfs/dbraw/zinc/77/12/82/983771282.db2.gz MGFQYYSWLZWEJK-UHFFFAOYSA-N -1 0 336.413 2.556 20 30 EFEDRM C=C[C@H](C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001588661831 983787898 /nfs/dbraw/zinc/78/78/98/983787898.db2.gz SSWOKCSTAVDPOR-WMLDXEAASA-N -1 0 341.338 2.974 20 30 EFEDRM C=C[C@@H](C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC001588664049 983798292 /nfs/dbraw/zinc/79/82/92/983798292.db2.gz NCPSIPGVJOUBPI-MSOLQXFVSA-N -1 0 337.375 2.700 20 30 EFEDRM C=C[C@H](C(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C)c1ccccc1 ZINC001588664691 983803839 /nfs/dbraw/zinc/80/38/39/983803839.db2.gz TUVRAOVVXRSOIG-QMTMVMCOSA-N -1 0 331.412 2.731 20 30 EFEDRM C=C[C@@H](C(=O)[O-])N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001588670007 983816403 /nfs/dbraw/zinc/81/64/03/983816403.db2.gz TUBSNMZESMXMEF-HNNXBMFYSA-N -1 0 343.254 2.793 20 30 EFEDRM C=CC(C)(C)CCNC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001588676826 983831354 /nfs/dbraw/zinc/83/13/54/983831354.db2.gz DEMMWZGFJZHQQI-UHFFFAOYSA-N -1 0 334.416 2.894 20 30 EFEDRM C=CC(C)(C)CNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588676906 983832278 /nfs/dbraw/zinc/83/22/78/983832278.db2.gz JUTYRJAEYHJIPF-AWEZNQCLSA-N -1 0 345.443 2.817 20 30 EFEDRM C=C[C@@](C)(O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588681773 983841711 /nfs/dbraw/zinc/84/17/11/983841711.db2.gz DXUXQPKSQMHVEZ-HXUWFJFHSA-N -1 0 335.359 2.660 20 30 EFEDRM C=C[C@H](C)ONC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588686821 983866636 /nfs/dbraw/zinc/86/66/36/983866636.db2.gz GHAZGIJIUBNDGF-LEWSCRJBSA-N -1 0 338.791 2.656 20 30 EFEDRM C=C[C@H](C)ONC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001588686789 983866875 /nfs/dbraw/zinc/86/68/75/983866875.db2.gz FDJNCZKEFGLONM-ZETCQYMHSA-N -1 0 329.150 2.775 20 30 EFEDRM C=C[C@@H](C)ONC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588688013 983872834 /nfs/dbraw/zinc/87/28/34/983872834.db2.gz VXKUSRQAGFRDIH-PSASIEDQSA-N -1 0 325.390 2.502 20 30 EFEDRM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001588690591 983875166 /nfs/dbraw/zinc/87/51/66/983875166.db2.gz DAXAVFAMHDWGBK-NWANDNLSSA-N -1 0 346.431 2.616 20 30 EFEDRM C=C[C@H](CC)CC(=O)Nc1c(C(=O)[O-])nnn1Cc1ccccc1 ZINC001588691063 983878467 /nfs/dbraw/zinc/87/84/67/983878467.db2.gz QMCBJGMRRBYAMS-GFCCVEGCSA-N -1 0 328.372 2.565 20 30 EFEDRM C=C[C@@H](CC(=O)Nc1c(C(=O)OC)c[nH]c1C(=O)[O-])c1ccccc1 ZINC001588691288 983879128 /nfs/dbraw/zinc/87/91/28/983879128.db2.gz WWDYOZYYIBHVEX-NSHDSACASA-N -1 0 342.351 2.798 20 30 EFEDRM C=C[C@@H](Sc1nc2cc(Br)c(C)nc2[nH]1)C(=O)[O-] ZINC001588714268 983950725 /nfs/dbraw/zinc/95/07/25/983950725.db2.gz DSCWIKATMJIVDL-MRVPVSSYSA-N -1 0 328.191 2.760 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2cc(Cl)ccc2Cl)n1N)C(=O)[O-] ZINC001588714482 983951856 /nfs/dbraw/zinc/95/18/56/983951856.db2.gz HLTKHIHFWKCXHH-SECBINFHSA-N -1 0 345.211 2.697 20 30 EFEDRM C=CC[C@@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccccc1 ZINC001588720748 983969514 /nfs/dbraw/zinc/96/95/14/983969514.db2.gz GRQSQPUUNTVVMG-OAHLLOKOSA-N -1 0 342.395 2.568 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588736108 984022568 /nfs/dbraw/zinc/02/25/68/984022568.db2.gz SJIYWSWNDDJDFJ-SNVBAGLBSA-N -1 0 336.413 2.516 20 30 EFEDRM C=CCC(C)(C)CNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001588736875 984027278 /nfs/dbraw/zinc/02/72/78/984027278.db2.gz YHHJWVSXRTYSQZ-NSHDSACASA-N -1 0 349.387 2.812 20 30 EFEDRM C=CC[C@H](CO)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588738013 984031852 /nfs/dbraw/zinc/03/18/52/984031852.db2.gz ZYLFEPALQAPAGB-LBPRGKRZSA-N -1 0 328.368 2.844 20 30 EFEDRM C=CC[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccncc1 ZINC001588742888 984035426 /nfs/dbraw/zinc/03/54/26/984035426.db2.gz MZGDOTCRPRJVCA-MPGHIAIKSA-N -1 0 329.400 2.595 20 30 EFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588743711 984039646 /nfs/dbraw/zinc/03/96/46/984039646.db2.gz BXRSJOVWPDNYKJ-OIISXLGYSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588743710 984039661 /nfs/dbraw/zinc/03/96/61/984039661.db2.gz BXRSJOVWPDNYKJ-DJIMGWMZSA-N -1 0 330.428 2.926 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC001588750517 984072083 /nfs/dbraw/zinc/07/20/83/984072083.db2.gz FMVQPMQAKKASOV-KWQFWETISA-N -1 0 348.321 2.738 20 30 EFEDRM C=CC[C@@H](OC(=O)c1cc(N)cc(Br)c1C)C(=O)[O-] ZINC001588757340 984102490 /nfs/dbraw/zinc/10/24/90/984102490.db2.gz YOCKMHMAJJINFV-LLVKDONJSA-N -1 0 328.162 2.526 20 30 EFEDRM C=CC[C@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588763303 984119325 /nfs/dbraw/zinc/11/93/25/984119325.db2.gz SUETVQKNBDYDRF-HOTGVXAUSA-N -1 0 340.427 2.917 20 30 EFEDRM C=CCC1(C(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1 ZINC001588764909 984124129 /nfs/dbraw/zinc/12/41/29/984124129.db2.gz LCOMWSKMSBOQDI-UHFFFAOYSA-N -1 0 337.416 2.570 20 30 EFEDRM C=CC[C@]1(C(=O)O[C@H](C)CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588767221 984128747 /nfs/dbraw/zinc/12/87/47/984128747.db2.gz PKNBQVSKJLBWES-SJKOYZFVSA-N -1 0 341.404 2.739 20 30 EFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001588769210 984132889 /nfs/dbraw/zinc/13/28/89/984132889.db2.gz PXKDLJVUIBSQSP-UHFFFAOYSA-N -1 0 343.383 2.801 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CCCC1 ZINC001588769281 984132971 /nfs/dbraw/zinc/13/29/71/984132971.db2.gz RGKCVQMEPUAGJJ-UHFFFAOYSA-N -1 0 345.367 2.830 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)CCCC1 ZINC001588769595 984134552 /nfs/dbraw/zinc/13/45/52/984134552.db2.gz ZIMJRTBPLZBZPX-UHFFFAOYSA-N -1 0 341.404 3.000 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001588771008 984137462 /nfs/dbraw/zinc/13/74/62/984137462.db2.gz LENBFUZKPMJOEP-OCCSQVGLSA-N -1 0 334.420 2.959 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001588771426 984139653 /nfs/dbraw/zinc/13/96/53/984139653.db2.gz UEVDSJRTENRBIC-CZJPOVKDSA-N -1 0 334.416 2.687 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588771701 984140822 /nfs/dbraw/zinc/14/08/22/984140822.db2.gz YCSDXDSJYNMJKT-RISCZKNCSA-N -1 0 341.404 2.937 20 30 EFEDRM C=CC[C@@H]1CCCN(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)C1 ZINC001588771738 984141403 /nfs/dbraw/zinc/14/14/03/984141403.db2.gz ZDVBHOCYTOZZTF-LLVKDONJSA-N -1 0 332.356 2.934 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC001588773293 984147754 /nfs/dbraw/zinc/14/77/54/984147754.db2.gz ZUPAZGAVMDKMQV-VIFPVBQESA-N -1 0 347.795 2.764 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](CC)Nc1cccnc1Cl)C(=O)[O-] ZINC001588784923 984178432 /nfs/dbraw/zinc/17/84/32/984178432.db2.gz DEOQRDCSWOXGDJ-DGCLKSJQSA-N -1 0 339.823 2.851 20 30 EFEDRM C=CCCC[C@@H](NC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787632 984187647 /nfs/dbraw/zinc/18/76/47/984187647.db2.gz WZZJEEJETGVAFP-CHWSQXEVSA-N -1 0 342.436 2.558 20 30 EFEDRM C=CCCC[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)[O-] ZINC001588788585 984191041 /nfs/dbraw/zinc/19/10/41/984191041.db2.gz HTCQFMMVQZTJAK-GFCCVEGCSA-N -1 0 349.412 2.656 20 30 EFEDRM C=CCCC[C@H](NC(=O)COc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001588788590 984191143 /nfs/dbraw/zinc/19/11/43/984191143.db2.gz HUGKZEOMNWSEFR-ZDUSSCGKSA-N -1 0 329.755 2.784 20 30 EFEDRM C=CCCC[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)C(=O)[O-] ZINC001588789361 984198268 /nfs/dbraw/zinc/19/82/68/984198268.db2.gz BNUUFSUMJOZXDP-SIFUEBAJSA-N -1 0 325.368 2.569 20 30 EFEDRM C=CCCC[C@@H](NC(=O)C[C@H](C)C(=O)c1cccc(F)c1)C(=O)[O-] ZINC001588789496 984198327 /nfs/dbraw/zinc/19/83/27/984198327.db2.gz CSKVFROGOKZNRQ-SWLSCSKDSA-N -1 0 335.375 2.960 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1NC(=O)NC(C)C)C(=O)[O-] ZINC001588792556 984210454 /nfs/dbraw/zinc/21/04/54/984210454.db2.gz ARZHNHVWTQWVCX-OAHLLOKOSA-N -1 0 347.415 2.756 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1N)C(=O)[O-] ZINC001588793291 984217904 /nfs/dbraw/zinc/21/79/04/984217904.db2.gz VSFJQCODXZJDDZ-GFCCVEGCSA-N -1 0 330.306 2.827 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2n[nH]c(CC)n2)cc1)C(=O)[O-] ZINC001588793393 984218790 /nfs/dbraw/zinc/21/87/90/984218790.db2.gz XCUBHHTWNJZXLU-AWEZNQCLSA-N -1 0 342.399 2.573 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)C(=O)[O-] ZINC001588793476 984219473 /nfs/dbraw/zinc/21/94/73/984219473.db2.gz RFXUNTHMRYISJH-AWEZNQCLSA-N -1 0 343.383 2.616 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2c(F)cccc2F)n1)C(=O)[O-] ZINC001588793726 984221476 /nfs/dbraw/zinc/22/14/76/984221476.db2.gz ZEYBDYFEOBMHFH-CQSZACIVSA-N -1 0 349.337 2.690 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1c(OC)cnc2ccccc21)C(=O)[O-] ZINC001588794163 984224727 /nfs/dbraw/zinc/22/47/27/984224727.db2.gz MZHRITRXDWQWOB-CQSZACIVSA-N -1 0 328.368 2.783 20 30 EFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CC)C(=O)[O-] ZINC001588794150 984224793 /nfs/dbraw/zinc/22/47/93/984224793.db2.gz MRNHLVMPMJFOIE-PXAZEXFGSA-N -1 0 342.436 2.606 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588794121 984224963 /nfs/dbraw/zinc/22/49/63/984224963.db2.gz LVWXHPWPMGNAMG-MJBXVCDLSA-N -1 0 339.432 2.670 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1C#N)C(=O)[O-] ZINC001588794561 984228173 /nfs/dbraw/zinc/22/81/73/984228173.db2.gz YRAPDXQOCHWVMC-AWEZNQCLSA-N -1 0 341.367 2.790 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1)C(=O)[O-] ZINC001588798110 984233417 /nfs/dbraw/zinc/23/34/17/984233417.db2.gz UGJGEEGZRIWHII-HNNXBMFYSA-N -1 0 327.384 2.720 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001588798632 984237673 /nfs/dbraw/zinc/23/76/73/984237673.db2.gz MFBHHGJQRUQABO-OAHLLOKOSA-N -1 0 325.430 2.898 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC001588798869 984239316 /nfs/dbraw/zinc/23/93/16/984239316.db2.gz SYDLINDVHWRZCQ-AWEZNQCLSA-N -1 0 325.430 2.700 20 30 EFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001588798973 984239792 /nfs/dbraw/zinc/23/97/92/984239792.db2.gz WVKYNBWHUXACLH-NSHDSACASA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001588798972 984239879 /nfs/dbraw/zinc/23/98/79/984239879.db2.gz WVKYNBWHUXACLH-LLVKDONJSA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001588799735 984241844 /nfs/dbraw/zinc/24/18/44/984241844.db2.gz DBAJFVBLYNWPSZ-UHFFFAOYSA-N -1 0 329.393 2.891 20 30 EFEDRM C=CCCCCCN(C)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588800007 984243472 /nfs/dbraw/zinc/24/34/72/984243472.db2.gz WCAMDJOCGCSQMF-ZDUSSCGKSA-N -1 0 334.420 2.804 20 30 EFEDRM C=CCCCCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001588802520 984249980 /nfs/dbraw/zinc/24/99/80/984249980.db2.gz PYARYQCLHXHWCS-UHFFFAOYSA-N -1 0 336.413 2.735 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588805567 984253885 /nfs/dbraw/zinc/25/38/85/984253885.db2.gz FENDODXLTIPMAO-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM C=CCCCS(=O)(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001588805538 984254141 /nfs/dbraw/zinc/25/41/41/984254141.db2.gz COVBEZBYNJWQLD-UHFFFAOYSA-N -1 0 349.202 2.822 20 30 EFEDRM C=CCCOCC(=O)O[C@H](C(=O)[O-])c1ccccc1Br ZINC001588810571 984268021 /nfs/dbraw/zinc/26/80/21/984268021.db2.gz YIWHIYYEHIPHFM-ZDUSSCGKSA-N -1 0 343.173 2.711 20 30 EFEDRM C=CCCOCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588813406 984269667 /nfs/dbraw/zinc/26/96/67/984269667.db2.gz SFYRTZZZGQZQHF-UHFFFAOYSA-N -1 0 330.743 2.892 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001588814673 984272284 /nfs/dbraw/zinc/27/22/84/984272284.db2.gz KTNJHMQIUFXLQV-QGZVFWFLSA-N -1 0 337.441 2.681 20 30 EFEDRM C=CCCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001588814723 984272720 /nfs/dbraw/zinc/27/27/20/984272720.db2.gz NEYFJKRBVFIZEF-HUUCEWRRSA-N -1 0 332.400 2.664 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001588814781 984272928 /nfs/dbraw/zinc/27/29/28/984272928.db2.gz QRPYKLVLSNGIQT-MRXNPFEDSA-N -1 0 337.441 2.823 20 30 EFEDRM C=CCCc1ccc(S(=O)(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001588814937 984274834 /nfs/dbraw/zinc/27/48/34/984274834.db2.gz ZCSFRLWFZNPESF-UHFFFAOYSA-N -1 0 337.441 2.823 20 30 EFEDRM C=CCN(CCC#N)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588826745 984306263 /nfs/dbraw/zinc/30/62/63/984306263.db2.gz UPMWFFQNPOLLLC-LLVKDONJSA-N -1 0 335.335 2.611 20 30 EFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588829019 984310640 /nfs/dbraw/zinc/31/06/40/984310640.db2.gz YQBSULWIOCECAL-GJYPPUQNSA-N -1 0 328.412 2.680 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588829109 984311962 /nfs/dbraw/zinc/31/19/62/984311962.db2.gz BJBBGNRRRZOSSA-HNNXBMFYSA-N -1 0 330.384 2.566 20 30 EFEDRM C=CCNC(=O)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001588845346 984362009 /nfs/dbraw/zinc/36/20/09/984362009.db2.gz HXPXCKFFIYMGLK-UHFFFAOYSA-N -1 0 344.411 2.966 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC001588849282 984370370 /nfs/dbraw/zinc/37/03/70/984370370.db2.gz IGAQNROJJCSNJI-CQSZACIVSA-N -1 0 345.424 2.914 20 30 EFEDRM C=CCOC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588849766 984375270 /nfs/dbraw/zinc/37/52/70/984375270.db2.gz IWUFLBRMKXWUPT-UHFFFAOYSA-N -1 0 328.368 2.849 20 30 EFEDRM C=CCOCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588850798 984379969 /nfs/dbraw/zinc/37/99/69/984379969.db2.gz FDPRSKBQGRYBGQ-UHFFFAOYSA-N -1 0 328.162 2.597 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2cccc(F)c2)s1)C(=O)[O-] ZINC001588859193 984403855 /nfs/dbraw/zinc/40/38/55/984403855.db2.gz CNDIAUBBPHXXQH-CYBMUJFWSA-N -1 0 349.383 2.940 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001588859381 984405603 /nfs/dbraw/zinc/40/56/03/984405603.db2.gz JULGAXJRRGOPPC-HNNXBMFYSA-N -1 0 339.347 2.972 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001588859373 984405642 /nfs/dbraw/zinc/40/56/42/984405642.db2.gz JPNBQDQMBURHJL-HNNXBMFYSA-N -1 0 348.786 2.516 20 30 EFEDRM C=CCOC[C@H](NCc1ccc(-c2cccc(F)c2F)o1)C(=O)[O-] ZINC001588865897 984420649 /nfs/dbraw/zinc/42/06/49/984420649.db2.gz FKEDAWUEXFQIKM-AWEZNQCLSA-N -1 0 337.322 2.970 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1OC ZINC001588869676 984440306 /nfs/dbraw/zinc/44/03/06/984440306.db2.gz URLMMDHWXNPHNG-HNNXBMFYSA-N -1 0 347.392 2.877 20 30 EFEDRM C=CCOc1cccc(NC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001588873010 984444210 /nfs/dbraw/zinc/44/42/10/984444210.db2.gz ZFWKWZOKAYJZFN-UHFFFAOYSA-N -1 0 344.371 2.912 20 30 EFEDRM C=CCOc1ccc(CC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001588873563 984444740 /nfs/dbraw/zinc/44/47/40/984444740.db2.gz CSVMCASWSZUOFS-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(OC)[C@H](C)CC(=O)[O-])cc1OC ZINC001588875096 984451192 /nfs/dbraw/zinc/45/11/92/984451192.db2.gz VQKNCNHRCIBVKF-FNOHHLHBSA-N -1 0 349.383 2.526 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(OC)[C@@H](C)CC(=O)[O-])cc1OC ZINC001588875097 984451269 /nfs/dbraw/zinc/45/12/69/984451269.db2.gz VQKNCNHRCIBVKF-JWJUJFCLSA-N -1 0 349.383 2.526 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001588882363 984462571 /nfs/dbraw/zinc/46/25/71/984462571.db2.gz OXYRIZFRMMBGPK-GDLCADMTSA-N -1 0 344.363 2.643 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC001588882452 984463125 /nfs/dbraw/zinc/46/31/25/984463125.db2.gz SVOAJVSVDNSBKI-UHIISALHSA-N -1 0 334.368 2.841 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H]1CCCOC1 ZINC001588882470 984463700 /nfs/dbraw/zinc/46/37/00/984463700.db2.gz VHNFDAMICVGDRQ-GFCCVEGCSA-N -1 0 334.368 2.844 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001588886959 984474151 /nfs/dbraw/zinc/47/41/51/984474151.db2.gz VJKBUUWCOOZLFR-UHFFFAOYSA-N -1 0 346.427 2.982 20 30 EFEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588888797 984475671 /nfs/dbraw/zinc/47/56/71/984475671.db2.gz DLYKIAZZNDNONW-AWEZNQCLSA-N -1 0 326.400 2.741 20 30 EFEDRM C=CCn1c(-c2ccc(C)nc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588888964 984476345 /nfs/dbraw/zinc/47/63/45/984476345.db2.gz HUSHJIMSLKYSFK-GOSISDBHSA-N -1 0 341.415 2.526 20 30 EFEDRM C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588895448 984493343 /nfs/dbraw/zinc/49/33/43/984493343.db2.gz GIJLJNKNGLVEMB-KDOFPFPSSA-N -1 0 348.447 2.643 20 30 EFEDRM C=CCn1c([C@@H](O)/C=C/CC)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895624 984494969 /nfs/dbraw/zinc/49/49/69/984494969.db2.gz JZNMGGFVGYRNBJ-NFAHFFEMSA-N -1 0 348.447 2.545 20 30 EFEDRM C=CCn1c([C@H](C)CCC#N)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588895904 984497253 /nfs/dbraw/zinc/49/72/53/984497253.db2.gz NZFZHHMZRCNSHX-CXAGYDPISA-N -1 0 331.420 2.562 20 30 EFEDRM C=CCn1c([C@H]2CC=CCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588896129 984499037 /nfs/dbraw/zinc/49/90/37/984499037.db2.gz GKQHATHRIXIDMW-QLFBSQMISA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c([C@H]2CC=CCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588897052 984506731 /nfs/dbraw/zinc/50/67/31/984506731.db2.gz NQJHDNITOQVIGW-SOUVJXGZSA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c([C@@H]2CC=CCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588897051 984506775 /nfs/dbraw/zinc/50/67/75/984506775.db2.gz NQJHDNITOQVIGW-RRFJBIMHSA-N -1 0 330.432 2.835 20 30 EFEDRM C=CCn1c([C@H]2[C@@H]3CCCC[C@@H]32)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588897680 984512425 /nfs/dbraw/zinc/51/24/25/984512425.db2.gz SYDVLDGDOVTATO-LWGWVAHUSA-N -1 0 330.432 2.669 20 30 EFEDRM C=CCn1c(CSC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588900695 984521897 /nfs/dbraw/zinc/52/18/97/984521897.db2.gz LKVDMCBTZSSLNQ-MRXNPFEDSA-N -1 0 338.477 2.797 20 30 EFEDRM C=CCn1c(SCC(=O)CCC(=O)[O-])nnc1-c1ccc(F)cc1 ZINC001588907774 984540579 /nfs/dbraw/zinc/54/05/79/984540579.db2.gz WNCUEQMWRVSJTB-UHFFFAOYSA-N -1 0 349.387 2.796 20 30 EFEDRM C=CCn1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nn1 ZINC001588909382 984543542 /nfs/dbraw/zinc/54/35/42/984543542.db2.gz RRHPPCYYSMTPSC-CYBMUJFWSA-N -1 0 341.198 2.686 20 30 EFEDRM C=CCn1cc2ccc(NC(=O)NCc3ccoc3C(=O)[O-])cc2n1 ZINC001588909645 984545234 /nfs/dbraw/zinc/54/52/34/984545234.db2.gz ZUCPMXNYFRFGGZ-UHFFFAOYSA-N -1 0 340.339 2.835 20 30 EFEDRM C=CCn1cnnc1SCCOc1ccc(C(=O)[O-])cc1Cl ZINC001588912553 984551487 /nfs/dbraw/zinc/55/14/87/984551487.db2.gz KAWHJLVVRAXNOF-UHFFFAOYSA-N -1 0 339.804 2.987 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588913455 984554990 /nfs/dbraw/zinc/55/49/90/984554990.db2.gz CTQBFBIKPZAAAM-OLZOCXBDSA-N -1 0 336.413 2.962 20 30 EFEDRM CC#CCCCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001588926898 984595151 /nfs/dbraw/zinc/59/51/51/984595151.db2.gz BSPFCBFIOZCGEM-UHFFFAOYSA-N -1 0 325.368 2.585 20 30 EFEDRM CC#CCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588932349 984607511 /nfs/dbraw/zinc/60/75/11/984607511.db2.gz RXUVXGMHBGWQQS-UHFFFAOYSA-N -1 0 325.324 2.717 20 30 EFEDRM C/C(=C/C(=O)N(CC#N)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588932717 984610108 /nfs/dbraw/zinc/61/01/08/984610108.db2.gz HOLHYTRRJSXFHX-LUAWRHEFSA-N -1 0 340.301 2.936 20 30 EFEDRM CCOC(=O)COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001596629850 984614026 /nfs/dbraw/zinc/61/40/26/984614026.db2.gz WYEIVJWXHBHLEH-VURMDHGXSA-N -1 0 344.319 2.816 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCc2nc(C(=O)[O-])cs2)n1 ZINC001596713950 984938751 /nfs/dbraw/zinc/93/87/51/984938751.db2.gz NPOKQVQXKVBKQH-UHFFFAOYSA-N -1 0 349.393 2.577 20 30 EFEDRM CCOC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])n(C)c2)cc1C ZINC001596724652 984979081 /nfs/dbraw/zinc/97/90/81/984979081.db2.gz SZIMGCSLVWRPGV-UHFFFAOYSA-N -1 0 329.356 2.654 20 30 EFEDRM CC(=NN=Cc1ccc(C(=O)[O-])cc1Br)c1cnccn1 ZINC001589010756 984982239 /nfs/dbraw/zinc/98/22/39/984982239.db2.gz HCJUJQPLWLYXLA-UHFFFAOYSA-N -1 0 347.172 2.780 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599942608 985473335 /nfs/dbraw/zinc/47/33/35/985473335.db2.gz QDHLSUGYXSKMOT-QGZVFWFLSA-N -1 0 345.786 2.664 20 30 EFEDRM CC(=O)Nc1ccc(C(C)=NOCc2nc(C(=O)[O-])cs2)cc1 ZINC001589188387 985583314 /nfs/dbraw/zinc/58/33/14/985583314.db2.gz VDPJTJUXRCRLSF-UHFFFAOYSA-N -1 0 333.369 2.741 20 30 EFEDRM Cc1[nH]c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001599952100 985625902 /nfs/dbraw/zinc/62/59/02/985625902.db2.gz GGHZGWOSDKUVRN-IBGZPJMESA-N -1 0 337.379 2.511 20 30 EFEDRM CC(=O)[C@@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001589234667 985792866 /nfs/dbraw/zinc/79/28/66/985792866.db2.gz WNNYYKLGBQKATH-CJNGLKHVSA-N -1 0 343.379 2.941 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)Nc2cc(C)cc(C#N)c2)c(C(=O)[O-])c1C ZINC001589244191 985843957 /nfs/dbraw/zinc/84/39/57/985843957.db2.gz HSIGECPRDYGWMD-UHFFFAOYSA-N -1 0 339.351 2.585 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)O[C@H](C)CC(C)(C)C#N)c(C(=O)[O-])c1C ZINC001589248246 985852737 /nfs/dbraw/zinc/85/27/37/985852737.db2.gz JSRKRWGBFXVUQG-SECBINFHSA-N -1 0 334.372 2.638 20 30 EFEDRM Cc1[nH]c2ccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2c1C ZINC001599965098 985888785 /nfs/dbraw/zinc/88/87/85/985888785.db2.gz OUHLNBUYEFMXRJ-UHFFFAOYSA-N -1 0 325.368 2.615 20 30 EFEDRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599966463 985914531 /nfs/dbraw/zinc/91/45/31/985914531.db2.gz RNWLYHOAWOJYKR-UHFFFAOYSA-N -1 0 345.786 2.960 20 30 EFEDRM CC(=O)c1ccc(C#N)c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001589274034 985979210 /nfs/dbraw/zinc/97/92/10/985979210.db2.gz WZARGXKBQBBJBJ-FQEVSTJZSA-N -1 0 334.375 2.994 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599973508 986048754 /nfs/dbraw/zinc/04/87/54/986048754.db2.gz XEDPRRDPUSNCGT-UHFFFAOYSA-N -1 0 329.743 2.543 20 30 EFEDRM Cc1c(C#N)cccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599974752 986071264 /nfs/dbraw/zinc/07/12/64/986071264.db2.gz HSWZRTIGGMBPPT-UHFFFAOYSA-N -1 0 341.323 2.850 20 30 EFEDRM CC(=O)c1cccc(C#N)c1OCCOc1cccc(C(=O)[O-])c1 ZINC001589306395 986073542 /nfs/dbraw/zinc/07/35/42/986073542.db2.gz WESRMTXGPMOJTD-UHFFFAOYSA-N -1 0 325.320 2.917 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001599978881 986133618 /nfs/dbraw/zinc/13/36/18/986133618.db2.gz NIZAWSPOUXKBLE-SNVBAGLBSA-N -1 0 338.335 2.920 20 30 EFEDRM C[C@@H](C#N)CN(C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CC1 ZINC001589329133 986161048 /nfs/dbraw/zinc/16/10/48/986161048.db2.gz JTEKAHBHEMYNGG-VIFPVBQESA-N -1 0 336.417 2.661 20 30 EFEDRM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001589330482 986173424 /nfs/dbraw/zinc/17/34/24/986173424.db2.gz GTXJRDHTUANZNM-LLVKDONJSA-N -1 0 340.339 2.853 20 30 EFEDRM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001589331994 986194956 /nfs/dbraw/zinc/19/49/56/986194956.db2.gz VLJCNFZGNSRJSP-LLVKDONJSA-N -1 0 344.392 2.603 20 30 EFEDRM Cc1c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cnn1CCC#N ZINC001599983523 986197588 /nfs/dbraw/zinc/19/75/88/986197588.db2.gz FALCZUQCSXFIQY-GFCCVEGCSA-N -1 0 340.383 2.621 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C#N)cc1 ZINC001597021113 986407483 /nfs/dbraw/zinc/40/74/83/986407483.db2.gz RXBDMXXYVRLHEE-UHFFFAOYSA-N -1 0 339.351 2.977 20 30 EFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C#N)cc1OC ZINC001597024889 986430038 /nfs/dbraw/zinc/43/00/38/986430038.db2.gz FYCWICRPMCDZOF-UHFFFAOYSA-N -1 0 340.335 2.916 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001597055962 986538661 /nfs/dbraw/zinc/53/86/61/986538661.db2.gz NFHFOAZYHVDWHE-QGZVFWFLSA-N -1 0 331.372 2.722 20 30 EFEDRM CCOc1ccc([C@H](C)NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597079147 986618010 /nfs/dbraw/zinc/61/80/10/986618010.db2.gz MYLFSXGYBIEGCZ-ZDUSSCGKSA-N -1 0 345.399 2.546 20 30 EFEDRM C[C@@H]1Cc2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2O1 ZINC001594619696 986652570 /nfs/dbraw/zinc/65/25/70/986652570.db2.gz HNKDFYGRFCUWPB-DIFFPNOSSA-N -1 0 337.331 2.864 20 30 EFEDRM CCOc1ccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1 ZINC001597118080 986796499 /nfs/dbraw/zinc/79/64/99/986796499.db2.gz PAVOXHWIFLYOKF-UHFFFAOYSA-N -1 0 331.372 2.616 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NC[C@@H](O)COc2ccccc2C#N)c1 ZINC001589532295 987212326 /nfs/dbraw/zinc/21/23/26/987212326.db2.gz PIORMVSFJRLXJP-CXAGYDPISA-N -1 0 340.379 2.598 20 30 EFEDRM C[C@@H](C(=O)[O-])c1cccc(NC[C@H](O)COc2ccccc2C#N)c1 ZINC001589532296 987212558 /nfs/dbraw/zinc/21/25/58/987212558.db2.gz PIORMVSFJRLXJP-DYVFJYSZSA-N -1 0 340.379 2.598 20 30 EFEDRM CC[C@@H](C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001594722622 987214997 /nfs/dbraw/zinc/21/49/97/987214997.db2.gz RHZQEVDQFIKWCN-JOYOIKCWSA-N -1 0 339.189 2.631 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)OCC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001589558742 987311201 /nfs/dbraw/zinc/31/12/01/987311201.db2.gz TZXYEODAOFNLQA-UHFFFAOYSA-N -1 0 341.319 2.819 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)CC1(C#N)CCOCC1)c1ccccc1 ZINC001589591893 987398771 /nfs/dbraw/zinc/39/87/71/987398771.db2.gz NWXSPLVKHSMMIF-MRXNPFEDSA-N -1 0 344.411 2.665 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cccc(C#N)n1)c1ccccc1 ZINC001589597874 987417767 /nfs/dbraw/zinc/41/77/67/987417767.db2.gz CUXSOVVDSLKXNB-OAHLLOKOSA-N -1 0 338.367 2.927 20 30 EFEDRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CC1(C#N)CCOCC1 ZINC001589616999 987487594 /nfs/dbraw/zinc/48/75/94/987487594.db2.gz RKRZDNKBTLVQJG-UHFFFAOYSA-N -1 0 344.411 2.589 20 30 EFEDRM CCc1[nH]c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC001597354922 987498838 /nfs/dbraw/zinc/49/88/38/987498838.db2.gz RRIZLVNAFDIVJS-UHFFFAOYSA-N -1 0 325.368 2.728 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2ccc(C#N)cc2OC)c(C)c1C(=O)[O-] ZINC001597372649 987555649 /nfs/dbraw/zinc/55/56/49/987555649.db2.gz GKHVDVHUBRGMOT-UHFFFAOYSA-N -1 0 327.340 2.716 20 30 EFEDRM CCc1[nH]c(C(=O)Nc2nc(Cl)c(C#N)s2)c(C)c1C(=O)[O-] ZINC001597373884 987559162 /nfs/dbraw/zinc/55/91/62/987559162.db2.gz CHBOMKFHMYPRBF-UHFFFAOYSA-N -1 0 338.776 2.818 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)n1 ZINC001589656735 987622711 /nfs/dbraw/zinc/62/27/11/987622711.db2.gz WOKOSACOIBORDV-UWVGGRQHSA-N -1 0 336.417 2.709 20 30 EFEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)Nc2ccc(CCC#N)cc2)cn1 ZINC001589666417 987652236 /nfs/dbraw/zinc/65/22/36/987652236.db2.gz GLSMYBURLYMYKF-UHFFFAOYSA-N -1 0 341.371 2.803 20 30 EFEDRM CC(C)(C(=O)OCC#Cc1cccc(C(=O)[O-])c1)C1CCOCC1 ZINC001589680635 987704601 /nfs/dbraw/zinc/70/46/01/987704601.db2.gz HULPKTMZVLZIKQ-UHFFFAOYSA-N -1 0 330.380 2.732 20 30 EFEDRM CC(C)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCCCO1 ZINC001589680775 987706419 /nfs/dbraw/zinc/70/64/19/987706419.db2.gz FOKUCCMHCKPCLX-HNNXBMFYSA-N -1 0 331.368 2.895 20 30 EFEDRM CCc1c(C)sc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c1C#N ZINC001597415443 987715291 /nfs/dbraw/zinc/71/52/91/987715291.db2.gz GDOXUMCHZJOYTM-GXFFZTMASA-N -1 0 336.413 2.842 20 30 EFEDRM CC(C)(C)C#CC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001589684820 987722656 /nfs/dbraw/zinc/72/26/56/987722656.db2.gz MPWKTOIQDXIXJF-UONOGXRCSA-N -1 0 335.350 2.641 20 30 EFEDRM CCc1ccc(C#CC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001597495668 988044382 /nfs/dbraw/zinc/04/43/82/988044382.db2.gz ZUNXVBIJEKFAFD-UHFFFAOYSA-N -1 0 333.387 2.884 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001597509127 988090236 /nfs/dbraw/zinc/09/02/36/988090236.db2.gz YHOYMKCLYFAKIY-HNNXBMFYSA-N -1 0 326.396 2.965 20 30 EFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001597543207 988238923 /nfs/dbraw/zinc/23/89/23/988238923.db2.gz WWOBOZQSZBLIKJ-CYBMUJFWSA-N -1 0 326.308 2.501 20 30 EFEDRM CSc1ccc(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001599820260 988500033 /nfs/dbraw/zinc/50/00/33/988500033.db2.gz PHZUMAHSGKHVQD-UHFFFAOYSA-N -1 0 349.389 2.746 20 30 EFEDRM CCc1nc(C#N)cc(N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC001597644598 988654239 /nfs/dbraw/zinc/65/42/39/988654239.db2.gz CXLSLFRTKWQGEB-DZGCQCFKSA-N -1 0 328.416 2.770 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001599855688 989084701 /nfs/dbraw/zinc/08/47/01/989084701.db2.gz NYOVYFJHRSENIN-FVQBIDKESA-N -1 0 329.400 2.784 20 30 EFEDRM CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001597822505 989466032 /nfs/dbraw/zinc/46/60/32/989466032.db2.gz CQJBJTTUXLIXDK-GOSISDBHSA-N -1 0 339.399 2.528 20 30 EFEDRM CCn1c(CCCCC#N)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597851138 989597305 /nfs/dbraw/zinc/59/73/05/989597305.db2.gz UIRHQMCCMVBQIA-AWEZNQCLSA-N -1 0 347.463 2.862 20 30 EFEDRM CCn1nc(C2CC2)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597946045 989931055 /nfs/dbraw/zinc/93/10/55/989931055.db2.gz LYZUSJUOUSCKRN-INIZCTEOSA-N -1 0 339.351 2.635 20 30 EFEDRM CC(C)(C)c1ccc(C2(C(=O)N(CC#N)CCC(=O)[O-])CC2)cc1 ZINC001590479923 990057911 /nfs/dbraw/zinc/05/79/11/990057911.db2.gz MPLJVKYPQFFIEP-UHFFFAOYSA-N -1 0 328.412 2.843 20 30 EFEDRM CN(C(=O)[C@@H](CC#N)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001597990484 990082855 /nfs/dbraw/zinc/08/28/55/990082855.db2.gz OCDJQAUQCHMKHH-KRWDZBQOSA-N -1 0 338.363 2.810 20 30 EFEDRM CC(C)(C)c1nc(NC(=O)c2cnccc2C#N)sc1C(=O)[O-] ZINC001590545307 990180670 /nfs/dbraw/zinc/18/06/70/990180670.db2.gz BZFQZQHUQQGNKJ-UHFFFAOYSA-N -1 0 330.369 2.658 20 30 EFEDRM CC(C)(C)c1ncc(/C=C/C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001590550671 990189161 /nfs/dbraw/zinc/18/91/61/990189161.db2.gz KWSCZOWFFVBNPN-SNAWJCMRSA-N -1 0 347.440 2.671 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001590551079 990191844 /nfs/dbraw/zinc/19/18/44/990191844.db2.gz VOJCUELVWOGQKI-CQSZACIVSA-N -1 0 339.351 2.628 20 30 EFEDRM CC(C)(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001590551078 990192085 /nfs/dbraw/zinc/19/20/85/990192085.db2.gz VOJCUELVWOGQKI-AWEZNQCLSA-N -1 0 339.351 2.628 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001590587023 990233262 /nfs/dbraw/zinc/23/32/62/990233262.db2.gz DLSHJJDTIHTNNU-ZDUSSCGKSA-N -1 0 332.404 2.737 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590587167 990233981 /nfs/dbraw/zinc/23/39/81/990233981.db2.gz ISTHZPGKFKRJIV-UGSOOPFHSA-N -1 0 344.415 2.833 20 30 EFEDRM CC(C)(C)n1cc(C#N)c(NC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001590588978 990240141 /nfs/dbraw/zinc/24/01/41/990240141.db2.gz POMGSQKDTHLHTK-UHFFFAOYSA-N -1 0 332.404 2.873 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001590654324 990346252 /nfs/dbraw/zinc/34/62/52/990346252.db2.gz NGDJCECVIASWHJ-IBGZPJMESA-N -1 0 343.427 2.754 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001590656126 990352247 /nfs/dbraw/zinc/35/22/47/990352247.db2.gz JLHZMNBVGGMGEQ-UHFFFAOYSA-N -1 0 327.384 2.855 20 30 EFEDRM CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001598073721 990379728 /nfs/dbraw/zinc/37/97/28/990379728.db2.gz SEZXLDNSWBDOMI-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1ccc(C#N)cc1 ZINC001598078994 990390267 /nfs/dbraw/zinc/39/02/67/990390267.db2.gz GFPWUZDCHRGCJR-UHFFFAOYSA-N -1 0 346.346 2.719 20 30 EFEDRM CC(C)(C)OC(=O)NC(C)(C)CCNc1ccc(C(=O)[O-])nc1C#N ZINC001590693330 990407795 /nfs/dbraw/zinc/40/77/95/990407795.db2.gz IKFLPFGNICSXGI-UHFFFAOYSA-N -1 0 348.403 2.757 20 30 EFEDRM CN(C)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1c(F)cccc1F ZINC001598175677 990724250 /nfs/dbraw/zinc/72/42/50/990724250.db2.gz DRCISSXOSLDOJP-OAHLLOKOSA-N -1 0 346.337 2.644 20 30 EFEDRM CC(C)(NCc1cc(Cl)ccc1OCC#N)c1cc(C(=O)[O-])on1 ZINC001590870373 990771627 /nfs/dbraw/zinc/77/16/27/990771627.db2.gz CYYVYYMMCRGWAH-UHFFFAOYSA-N -1 0 349.774 2.953 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001590904980 990868037 /nfs/dbraw/zinc/86/80/37/990868037.db2.gz PBTSVOUQXCGFEU-UHFFFAOYSA-N -1 0 346.364 2.614 20 30 EFEDRM CC(C)(c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1)C(F)(F)F ZINC001590907376 990873545 /nfs/dbraw/zinc/87/35/45/990873545.db2.gz WGOYXDJZOQZVAY-UHFFFAOYSA-N -1 0 342.317 2.967 20 30 EFEDRM CC(C)=CCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001590922079 990917165 /nfs/dbraw/zinc/91/71/65/990917165.db2.gz SXXYTBXYTGMKHP-GFCCVEGCSA-N -1 0 336.413 2.670 20 30 EFEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC001598293664 991211108 /nfs/dbraw/zinc/21/11/08/991211108.db2.gz NPKKDVQEZAQKHN-UHFFFAOYSA-N -1 0 337.379 2.894 20 30 EFEDRM CN(C)c1ccc(C#N)cc1CNCc1ccc(C(=O)[O-])cc1F ZINC001598307796 991278153 /nfs/dbraw/zinc/27/81/53/991278153.db2.gz LHFPZDVZDOFPIZ-UHFFFAOYSA-N -1 0 327.359 2.751 20 30 EFEDRM CN(C)c1ccc(OCCOc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001598328421 991350340 /nfs/dbraw/zinc/35/03/40/991350340.db2.gz LIBFHTKKTNIFOJ-UHFFFAOYSA-N -1 0 326.352 2.780 20 30 EFEDRM COc1ccccc1CN(Cc1cccc(C(=O)[O-])c1C#N)OC ZINC001599710707 991366361 /nfs/dbraw/zinc/36/63/61/991366361.db2.gz AZUYQPAOVWTWIG-UHFFFAOYSA-N -1 0 326.352 2.829 20 30 EFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591051425 991450037 /nfs/dbraw/zinc/45/00/37/991450037.db2.gz BUYLKJCVONOVRR-XUWXXGDYSA-N -1 0 344.411 2.721 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC1(C(=O)[O-])CCC1 ZINC001591052395 991459254 /nfs/dbraw/zinc/45/92/54/991459254.db2.gz QNFBJIPSVIPIET-OAHLLOKOSA-N -1 0 331.368 2.760 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001598419062 991751029 /nfs/dbraw/zinc/75/10/29/991751029.db2.gz AKOMQRDSTHVXRW-UHFFFAOYSA-N -1 0 344.415 2.998 20 30 EFEDRM CN(CC(C)(C)C#N)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598419514 991753895 /nfs/dbraw/zinc/75/38/95/991753895.db2.gz KRZBVGRYCIUFAR-UHFFFAOYSA-N -1 0 326.356 2.946 20 30 EFEDRM CN(CCC#N)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001598467945 991979960 /nfs/dbraw/zinc/97/99/60/991979960.db2.gz DYZSSFUVDCEXDJ-UHFFFAOYSA-N -1 0 330.369 2.886 20 30 EFEDRM CC(C)CN(CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001591304995 992260884 /nfs/dbraw/zinc/26/08/84/992260884.db2.gz XVBWMWYRLWEYFL-UHFFFAOYSA-N -1 0 341.411 2.780 20 30 EFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])n1 ZINC001591343114 992324114 /nfs/dbraw/zinc/32/41/14/992324114.db2.gz QYINTDUOEVTIQL-UHFFFAOYSA-N -1 0 337.379 2.950 20 30 EFEDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(=O)[O-])nc1C#N ZINC001598508605 992538184 /nfs/dbraw/zinc/53/81/84/992538184.db2.gz QOBAKQDKWDLNKT-UHFFFAOYSA-N -1 0 346.730 2.849 20 30 EFEDRM CN(Cc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598509328 992548866 /nfs/dbraw/zinc/54/88/66/992548866.db2.gz RETIHEPFBDQQEB-UHFFFAOYSA-N -1 0 325.324 2.797 20 30 EFEDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001598509843 992555637 /nfs/dbraw/zinc/55/56/37/992555637.db2.gz FAOVZVCUPROMIO-UHFFFAOYSA-N -1 0 334.375 2.947 20 30 EFEDRM CN(Cc1ccc(OC(F)F)cc1)c1ccc(C(=O)[O-])nc1C#N ZINC001598519729 992664486 /nfs/dbraw/zinc/66/44/86/992664486.db2.gz BZOXFSNJEPLAGT-UHFFFAOYSA-N -1 0 333.294 2.889 20 30 EFEDRM CC(C)Cn1c(CCCC#N)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591514331 992674922 /nfs/dbraw/zinc/67/49/22/992674922.db2.gz UPBDKOJUCSDQCO-HNNXBMFYSA-N -1 0 347.463 2.862 20 30 EFEDRM CN(Cc1cccc(C#N)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598525769 992718418 /nfs/dbraw/zinc/71/84/18/992718418.db2.gz YVCYROPZMVWBNN-UHFFFAOYSA-N -1 0 325.324 2.797 20 30 EFEDRM CN(Cc1ccccc1F)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001598529751 992764987 /nfs/dbraw/zinc/76/49/87/992764987.db2.gz WJJJANPUTXENHN-UHFFFAOYSA-N -1 0 344.342 2.533 20 30 EFEDRM CN(Cc1nc(C#N)cs1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598536719 992848648 /nfs/dbraw/zinc/84/86/48/992848648.db2.gz LFHCGPIXKLBDFO-CYBMUJFWSA-N -1 0 341.314 2.690 20 30 EFEDRM COc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1C#N ZINC001599593119 993714253 /nfs/dbraw/zinc/71/42/53/993714253.db2.gz TZNQPFMLUKZLIT-AWEZNQCLSA-N -1 0 331.372 2.722 20 30 EFEDRM COc1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC001599593619 993720689 /nfs/dbraw/zinc/72/06/89/993720689.db2.gz HZNPXFLMVGKTDT-UHFFFAOYSA-N -1 0 332.262 2.796 20 30 EFEDRM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001593139393 993915996 /nfs/dbraw/zinc/91/59/96/993915996.db2.gz XZGRHIDCHPMEIK-TVYUQYBPSA-N -1 0 341.392 2.694 20 30 EFEDRM C[C@H](NC(=O)c1sccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593188325 994099990 /nfs/dbraw/zinc/09/99/90/994099990.db2.gz ARSVVZXAXIRHSA-FZMZJTMJSA-N -1 0 328.393 2.682 20 30 EFEDRM C[C@@H](NC(=S)NN=Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC001593189017 994107597 /nfs/dbraw/zinc/10/75/97/994107597.db2.gz CIBUSQRWMIOOFS-MRVPVSSYSA-N -1 0 325.821 2.635 20 30 EFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])n1C)CCO2 ZINC001599625914 994147965 /nfs/dbraw/zinc/14/79/65/994147965.db2.gz LFQWIAZQTNIZRG-LUAWRHEFSA-N -1 0 327.336 2.781 20 30 EFEDRM CNC(=O)c1cc2cc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2[nH]1 ZINC001598656961 994537669 /nfs/dbraw/zinc/53/76/69/994537669.db2.gz OFVAUDVMZLQSGT-QGZVFWFLSA-N -1 0 348.362 2.637 20 30 EFEDRM COc1cccc(O[C@@H](C)CNc2ccc(C(=O)[O-])nc2C#N)c1 ZINC001599682824 995009993 /nfs/dbraw/zinc/00/99/93/995009993.db2.gz IJIULNLSUOLTEU-NSHDSACASA-N -1 0 327.340 2.539 20 30 EFEDRM C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593359285 995013694 /nfs/dbraw/zinc/01/36/94/995013694.db2.gz ALBKJYPJEZSGNP-WBMJQRKESA-N -1 0 336.395 2.970 20 30 EFEDRM C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365777 995044208 /nfs/dbraw/zinc/04/42/08/995044208.db2.gz JHNWOAWUMAHOCQ-MAZHCROVSA-N -1 0 341.411 2.791 20 30 EFEDRM COC(=O)[C@@H](Sc1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001598710651 995344313 /nfs/dbraw/zinc/34/43/13/995344313.db2.gz FZFCUGQDRFPQOT-NSHDSACASA-N -1 0 334.378 2.719 20 30 EFEDRM C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)C(C)(C)C(=O)[O-] ZINC001593517560 995555072 /nfs/dbraw/zinc/55/50/72/995555072.db2.gz WEBYMNKBUZJZPG-TZMCWYRMSA-N -1 0 331.368 2.686 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCc1ccccc1C(=O)[O-] ZINC001593612040 995811965 /nfs/dbraw/zinc/81/19/65/995811965.db2.gz JFNJKDVGJLJQSL-ZDUSSCGKSA-N -1 0 339.347 2.810 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)C#Cc2ccccc2)cc1F)C(=O)[O-] ZINC001593623592 995881898 /nfs/dbraw/zinc/88/18/98/995881898.db2.gz XSGRXZWVTSPQQM-GFCCVEGCSA-N -1 0 327.311 2.668 20 30 EFEDRM C[C@@H](Oc1ccc(NC(=O)NCC(C)(C)CC#N)cc1F)C(=O)[O-] ZINC001593629527 995909647 /nfs/dbraw/zinc/90/96/47/995909647.db2.gz QZEDFZZSASTYQO-SNVBAGLBSA-N -1 0 337.351 2.739 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)NCC(C)(C)CC#N)cc1F)C(=O)[O-] ZINC001593629526 995909794 /nfs/dbraw/zinc/90/97/94/995909794.db2.gz QZEDFZZSASTYQO-JTQLQIEISA-N -1 0 337.351 2.739 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001593641436 995951508 /nfs/dbraw/zinc/95/15/08/995951508.db2.gz KPLZBWAEVHQKHE-WBMJQRKESA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001593641435 995951550 /nfs/dbraw/zinc/95/15/50/995951550.db2.gz KPLZBWAEVHQKHE-MLGOLLRUSA-N -1 0 325.320 2.695 20 30 EFEDRM C[C@H](Oc1ccccc1C=NNCCc1ccccc1F)C(=O)[O-] ZINC001593646482 995985496 /nfs/dbraw/zinc/98/54/96/995985496.db2.gz XVQRKKXEKUXMIT-ZDUSSCGKSA-N -1 0 330.359 2.844 20 30 EFEDRM C[C@@H](Sc1ccccc1C(=O)NCC#C[C@@H]1CCCCO1)C(=O)[O-] ZINC001593668872 996067751 /nfs/dbraw/zinc/06/77/51/996067751.db2.gz LFCWSHRAWOMXSP-KGLIPLIRSA-N -1 0 347.436 2.554 20 30 EFEDRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001593689882 996134436 /nfs/dbraw/zinc/13/44/36/996134436.db2.gz MKSGNMMQSVWWQY-LBPRGKRZSA-N -1 0 343.358 2.872 20 30 EFEDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001593690994 996136914 /nfs/dbraw/zinc/13/69/14/996136914.db2.gz WBDWNQZLNHGQHK-CQSZACIVSA-N -1 0 339.395 2.728 20 30 EFEDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H]1C[C@@H]1C#N ZINC001593720596 996251602 /nfs/dbraw/zinc/25/16/02/996251602.db2.gz WLUUWJXSLMSLBH-IACUBPJLSA-N -1 0 339.351 2.622 20 30 EFEDRM CC1(C)C[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C(C)(C)O1 ZINC001593848244 996618939 /nfs/dbraw/zinc/61/89/39/996618939.db2.gz NAWHGHOMGNPPQD-KBPBESRZSA-N -1 0 331.368 2.821 20 30 EFEDRM CC1(C)C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C(C)(C)O1 ZINC001593848246 996618998 /nfs/dbraw/zinc/61/89/98/996618998.db2.gz NAWHGHOMGNPPQD-UONOGXRCSA-N -1 0 331.368 2.821 20 30 EFEDRM CC1(C)CCC[C@](NC(=O)c2ccccc2OCC#N)(C(=O)[O-])C1 ZINC001593892420 996740984 /nfs/dbraw/zinc/74/09/84/996740984.db2.gz MUXWNTLUGMXVBU-GOSISDBHSA-N -1 0 330.384 2.742 20 30 EFEDRM CC1(C)CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001593899588 996765428 /nfs/dbraw/zinc/76/54/28/996765428.db2.gz OSSIECPBAFPUEG-GFCCVEGCSA-N -1 0 336.413 2.504 20 30 EFEDRM CC1(C)CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001593899589 996765534 /nfs/dbraw/zinc/76/55/34/996765534.db2.gz OSSIECPBAFPUEG-LBPRGKRZSA-N -1 0 336.413 2.504 20 30 EFEDRM CC1(C)CCc2onc(CNc3ccc(C(=O)[O-])nc3C#N)c2C1 ZINC001593924418 996848230 /nfs/dbraw/zinc/84/82/30/996848230.db2.gz IKTYRPFFRVXRMX-UHFFFAOYSA-N -1 0 326.356 2.766 20 30 EFEDRM CC1(C)CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](C(F)(F)F)O1 ZINC001593942421 996967574 /nfs/dbraw/zinc/96/75/74/996967574.db2.gz JVHSQBUCIGIHRE-ZDUSSCGKSA-N -1 0 342.317 2.798 20 30 EFEDRM COCc1cc(NC(=O)c2ccc(C#N)c(Cl)n2)cc(C(=O)[O-])c1 ZINC001599288879 997027984 /nfs/dbraw/zinc/02/79/84/997027984.db2.gz VUKJOHQARHCQQC-UHFFFAOYSA-N -1 0 345.742 2.704 20 30 EFEDRM CC1(C)CO[C@H](CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001593954263 997042704 /nfs/dbraw/zinc/04/27/04/997042704.db2.gz JMIINCYZCVEMHU-GDBMZVCRSA-N -1 0 331.368 2.822 20 30 EFEDRM COCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC001599294635 997117818 /nfs/dbraw/zinc/11/78/18/997117818.db2.gz HTVZDWCWXYZLSN-QGZVFWFLSA-N -1 0 326.352 2.951 20 30 EFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1ccc(C#N)cc1 ZINC001599395909 997125890 /nfs/dbraw/zinc/12/58/90/997125890.db2.gz COBWZGHKVCISBS-VQHVLOKHSA-N -1 0 337.331 2.813 20 30 EFEDRM COCc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599296753 997156827 /nfs/dbraw/zinc/15/68/27/997156827.db2.gz DGQSPERDQNOLAG-CYBMUJFWSA-N -1 0 331.349 2.749 20 30 EFEDRM COc1cc(C=NN2CCC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599400611 997207558 /nfs/dbraw/zinc/20/75/58/997207558.db2.gz RVNSKCSSPZGQOI-UHFFFAOYSA-N -1 0 330.340 2.605 20 30 EFEDRM COCc1nc(C)c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)s1 ZINC001599300893 997230749 /nfs/dbraw/zinc/23/07/49/997230749.db2.gz RGNCDZIRUORUDM-UHFFFAOYSA-N -1 0 346.364 2.525 20 30 EFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)cc1 ZINC001599512773 997325030 /nfs/dbraw/zinc/32/50/30/997325030.db2.gz QQIHAKNYDLBSBQ-INIZCTEOSA-N -1 0 342.326 2.652 20 30 EFEDRM COc1ccc([C@H](NC(=O)c2cccc(C#N)c2)C(=O)[O-])cc1Cl ZINC001599523270 997516862 /nfs/dbraw/zinc/51/68/62/997516862.db2.gz CWBMFJIJNUYNCE-HNNXBMFYSA-N -1 0 344.754 2.776 20 30 EFEDRM COc1ccc([C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C(=O)[O-])cc1 ZINC001599524091 997529533 /nfs/dbraw/zinc/52/95/33/997529533.db2.gz MUGPNBORMOPOKA-OAHLLOKOSA-N -1 0 344.754 2.776 20 30 EFEDRM CO[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001599319775 997560735 /nfs/dbraw/zinc/56/07/35/997560735.db2.gz MPGCKCHKGBEBQR-MRXNPFEDSA-N -1 0 325.320 2.687 20 30 EFEDRM CON=Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001599320086 997565305 /nfs/dbraw/zinc/56/53/05/997565305.db2.gz BFGFFZIPVMKGPP-AWEZNQCLSA-N -1 0 340.379 2.782 20 30 EFEDRM CON=Cc1ccc(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001599320522 997573305 /nfs/dbraw/zinc/57/33/05/997573305.db2.gz JKSCCFAPTFBJBO-IBGZPJMESA-N -1 0 341.363 2.866 20 30 EFEDRM COC(=O)c1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C ZINC001598928516 997697115 /nfs/dbraw/zinc/69/71/15/997697115.db2.gz PXJPTXPYEMKNHO-MRXNPFEDSA-N -1 0 342.351 2.504 20 30 EFEDRM COc1cc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599429598 997735598 /nfs/dbraw/zinc/73/55/98/997735598.db2.gz XQUVMARCDDHHIT-WTKPLQERSA-N -1 0 343.310 2.754 20 30 EFEDRM COc1cc(NC(=O)[C@H](C)CC#N)c(C(=O)[O-])cc1Br ZINC001599433685 997804452 /nfs/dbraw/zinc/80/44/52/997804452.db2.gz XIJPGQQZALNCTK-SSDOTTSWSA-N -1 0 341.161 2.644 20 30 EFEDRM COC(=O)c1cc(COC(=O)C2(C#N)CCCCC2)cc(C(=O)[O-])c1 ZINC001598933058 997805361 /nfs/dbraw/zinc/80/53/61/997805361.db2.gz DEJMPIDKJGWPQX-UHFFFAOYSA-N -1 0 345.351 2.689 20 30 EFEDRM COCCN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC001599230931 997852025 /nfs/dbraw/zinc/85/20/25/997852025.db2.gz HFQPEUWNIKQNKH-YCRREMRBSA-N -1 0 340.379 2.759 20 30 EFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cc1cccc(C#N)c1 ZINC001599541658 997853914 /nfs/dbraw/zinc/85/39/14/997853914.db2.gz DRWIQVXDBLPWOJ-SOFGYWHQSA-N -1 0 337.331 2.813 20 30 EFEDRM C[C@]1(c2cccc(F)c2)CCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001594073197 997929632 /nfs/dbraw/zinc/92/96/32/997929632.db2.gz IKIYTCXKSWQRHH-SFHVURJKSA-N -1 0 325.343 2.959 20 30 EFEDRM COc1c(O)cccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001599345453 997996958 /nfs/dbraw/zinc/99/69/58/997996958.db2.gz ULHKRPSJFUQPLL-YFHOEESVSA-N -1 0 328.320 2.760 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599348037 998043688 /nfs/dbraw/zinc/04/36/88/998043688.db2.gz QXXVSNBLCMRPOE-IFXJQAMLSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599348038 998044006 /nfs/dbraw/zinc/04/40/06/998044006.db2.gz QXXVSNBLCMRPOE-KUHUBIRLSA-N -1 0 337.331 2.731 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001599348806 998057731 /nfs/dbraw/zinc/05/77/31/998057731.db2.gz BMHIKKNTYGZQNQ-UHFFFAOYSA-N -1 0 335.319 2.999 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599349050 998060742 /nfs/dbraw/zinc/06/07/42/998060742.db2.gz HINGSNQWGOEUFC-GOSISDBHSA-N -1 0 330.384 2.720 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001599349003 998061150 /nfs/dbraw/zinc/06/11/50/998061150.db2.gz FSBWYHJLNGUUIM-UHFFFAOYSA-N -1 0 330.384 2.722 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599349070 998062311 /nfs/dbraw/zinc/06/23/11/998062311.db2.gz IDOOBYRTLBCPMV-KRWDZBQOSA-N -1 0 338.363 2.739 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599349437 998067611 /nfs/dbraw/zinc/06/76/11/998067611.db2.gz SYLSKCLMJZGTJL-UHFFFAOYSA-N -1 0 343.364 2.851 20 30 EFEDRM COC(=O)c1cc(NCc2cccc(C#N)c2F)cc(C(=O)[O-])c1 ZINC001598948553 998101715 /nfs/dbraw/zinc/10/17/15/998101715.db2.gz XPGHSMQKZVSLFR-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2C#N)cc1OC ZINC001599557870 998126346 /nfs/dbraw/zinc/12/63/46/998126346.db2.gz BHDPRRIPUOOASU-UHFFFAOYSA-N -1 0 340.379 2.906 20 30 EFEDRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC001599353010 998128805 /nfs/dbraw/zinc/12/88/05/998128805.db2.gz FGAHPPGPAMLYRX-MRXNPFEDSA-N -1 0 338.363 2.903 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)O1 ZINC001594105184 998157490 /nfs/dbraw/zinc/15/74/90/998157490.db2.gz UDSMCBJTSSKGIM-JSGCOSHPSA-N -1 0 340.301 2.899 20 30 EFEDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(Br)ccc2C#N)O1 ZINC001594106228 998167640 /nfs/dbraw/zinc/16/76/40/998167640.db2.gz LASIOVBVCGITHZ-NSHDSACASA-N -1 0 338.157 2.847 20 30 EFEDRM COc1cc(OCc2c(C#N)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599457163 998207987 /nfs/dbraw/zinc/20/79/87/998207987.db2.gz ZCLZKNNUCGBEGJ-UHFFFAOYSA-N -1 0 328.280 2.752 20 30 EFEDRM COCCOCc1cc(C#N)ccc1N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC001599251344 998236082 /nfs/dbraw/zinc/23/60/82/998236082.db2.gz FDTFPAHWNMFFCZ-ILXVDBEPSA-N -1 0 344.411 2.632 20 30 EFEDRM C[C@H]1/C(=C/c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120555 998272349 /nfs/dbraw/zinc/27/23/49/998272349.db2.gz OQGHHXRMYWGRGF-SOBCLFBASA-N -1 0 337.257 2.836 20 30 EFEDRM COc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C#N ZINC001599569356 998340123 /nfs/dbraw/zinc/34/01/23/998340123.db2.gz FQPSDFGPCSYCEG-UHFFFAOYSA-N -1 0 339.351 2.895 20 30 EFEDRM COc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001599570387 998354820 /nfs/dbraw/zinc/35/48/20/998354820.db2.gz LTFWXZFHUFBPJP-UHFFFAOYSA-N -1 0 344.754 2.848 20 30 EFEDRM COc1ccc(CNc2cc(OC)c(OC)cc2C(=O)[O-])cc1C#N ZINC001599573584 998405985 /nfs/dbraw/zinc/40/59/85/998405985.db2.gz FRYAOERIOMZCDN-UHFFFAOYSA-N -1 0 342.351 2.894 20 30 EFEDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001598967135 998442599 /nfs/dbraw/zinc/44/25/99/998442599.db2.gz AYHNIOXIQSIOMB-UHFFFAOYSA-N -1 0 338.319 2.604 20 30 EFEDRM COc1ccc(C#N)cc1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599476611 998542516 /nfs/dbraw/zinc/54/25/16/998542516.db2.gz GVWPVZCOMZXION-UHFFFAOYSA-N -1 0 340.354 2.962 20 30 EFEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001594156178 998567465 /nfs/dbraw/zinc/56/74/65/998567465.db2.gz JGBSDDOONUYTBG-KSSFIOAISA-N -1 0 349.390 2.808 20 30 EFEDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)C1(C#N)CCCC1 ZINC001599274814 998595506 /nfs/dbraw/zinc/59/55/06/998595506.db2.gz OLSDJHLBKLBRTA-UHFFFAOYSA-N -1 0 346.383 2.709 20 30 EFEDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001594161029 998597993 /nfs/dbraw/zinc/59/79/93/998597993.db2.gz BJCVJHJJHBXMQZ-KBPBESRZSA-N -1 0 339.395 2.880 20 30 EFEDRM COC(=O)c1ccc(NCc2ccc(C#N)c(F)c2)cc1C(=O)[O-] ZINC001598984529 998688770 /nfs/dbraw/zinc/68/87/70/998688770.db2.gz QOHKXNFYTDBUJE-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM COC(=O)c1cccc(COc2cc(C(=O)[O-])ccc2C)c1C#N ZINC001598994684 998767931 /nfs/dbraw/zinc/76/79/31/998767931.db2.gz UGGPXGCZVUCAGH-UHFFFAOYSA-N -1 0 325.320 2.931 20 30 EFEDRM COC(=O)c1ccccc1N=NC(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599002070 998827819 /nfs/dbraw/zinc/82/78/19/998827819.db2.gz KOLNCCIHIREYEA-UHFFFAOYSA-N -1 0 342.351 2.773 20 30 EFEDRM COC(=O)c1cnc(C(C)=NNc2ccc(C)c(C(=O)[O-])c2)s1 ZINC001599008305 998874733 /nfs/dbraw/zinc/87/47/33/998874733.db2.gz WLKOTDBEVZDJDA-UHFFFAOYSA-N -1 0 333.369 2.772 20 30 EFEDRM C[C@@H]1C[C@]2(C[C@H]2C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC001594287743 999113619 /nfs/dbraw/zinc/11/36/19/999113619.db2.gz XFFDHGWANWOHOL-PSZVPEGOSA-N -1 0 329.352 2.505 20 30 EFEDRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594293466 999132616 /nfs/dbraw/zinc/13/26/16/999132616.db2.gz VSXVHEMUGNXGDK-KYOSRNDESA-N -1 0 348.424 2.598 20 30 EFEDRM C[C@@H]1CC[C@](NC(=O)c2cccc(C#N)n2)(C(=O)[O-])c2ccccc21 ZINC001594321019 999232986 /nfs/dbraw/zinc/23/29/86/999232986.db2.gz BCAMQUBWTBOTOM-CWTRNNRKSA-N -1 0 335.363 2.560 20 30 EFEDRM CO[C@@H](Cc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599058860 999250550 /nfs/dbraw/zinc/25/05/50/999250550.db2.gz OJBHBBVJQKULIT-KRWDZBQOSA-N -1 0 339.347 2.557 20 30 EFEDRM CO[C@@H](c1ccccc1F)[C@H](C)Nc1ccc(C(=O)[O-])nc1C#N ZINC001599064663 999290520 /nfs/dbraw/zinc/29/05/20/999290520.db2.gz YSLXSVCOHQBXGZ-MGPLVRAMSA-N -1 0 329.331 2.979 20 30 EFEDRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594444844 999635882 /nfs/dbraw/zinc/63/58/82/999635882.db2.gz BICFQBBHICULPH-XJKSGUPXSA-N -1 0 341.411 2.710 20 30 EFEDRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594444843 999635955 /nfs/dbraw/zinc/63/59/55/999635955.db2.gz BICFQBBHICULPH-CZUORRHYSA-N -1 0 341.411 2.710 20 30 EFEDRM C[C@H]1CCc2sc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2C1 ZINC001594450694 999647878 /nfs/dbraw/zinc/64/78/78/999647878.db2.gz ISJDWCQLMQDGQI-NSHDSACASA-N -1 0 332.425 2.703 20 30 EFEDRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC001573647193 1087853351 /nfs/dbraw/zinc/85/33/51/1087853351.db2.gz VUKJFRPBINIWJO-QGZVFWFLSA-N -1 0 336.391 2.820 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)nnn1CC1CCCC1 ZINC001646897775 1088504144 /nfs/dbraw/zinc/50/41/44/1088504144.db2.gz IEBCNLPREOVQMZ-LBPRGKRZSA-N -1 0 346.822 2.654 20 30 EFEDRM CC(C)Oc1cccnc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC001647151255 1088998921 /nfs/dbraw/zinc/99/89/21/1088998921.db2.gz FLOWPVPRVPOSGI-UHFFFAOYSA-N -1 0 335.360 2.680 20 30 EFEDRM CS(=O)(=O)Nc1cccc(F)c1CNc1c(C#N)cccc1C#N ZINC001647160505 1089014911 /nfs/dbraw/zinc/01/49/11/1089014911.db2.gz RFGGSGPERQXNTN-UHFFFAOYSA-N -1 0 344.371 2.553 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(C)n1 ZINC001647343477 1089278798 /nfs/dbraw/zinc/27/87/98/1089278798.db2.gz PITACTZUSKXMQN-UHFFFAOYSA-N -1 0 348.428 2.695 20 30 EFEDRM CC(C)C1(C)CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)CC1 ZINC001647671777 1089735618 /nfs/dbraw/zinc/73/56/18/1089735618.db2.gz VIJHXUVXSVWASZ-UHFFFAOYSA-N -1 0 340.431 2.717 20 30 EFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@](C)(CC)C1 ZINC001647700083 1089793966 /nfs/dbraw/zinc/79/39/66/1089793966.db2.gz JXOLKDATWUFGOQ-GOSISDBHSA-N -1 0 340.431 2.954 20 30 EFEDRM COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001579888852 1090715155 /nfs/dbraw/zinc/71/51/55/1090715155.db2.gz SBQLEWWOJSWGBQ-NSHDSACASA-N -1 0 349.350 2.665 20 30 EFEDRM C[C@@H](OC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC001580310687 1090857790 /nfs/dbraw/zinc/85/77/90/1090857790.db2.gz GQYOUPWSKCZVBL-SNVBAGLBSA-N -1 0 337.314 2.795 20 30 EFEDRM C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001580310964 1090858313 /nfs/dbraw/zinc/85/83/13/1090858313.db2.gz YVSVMKGYAMFVQG-SNVBAGLBSA-N -1 0 337.314 2.795 20 30 EFEDRM Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001584514346 1092185854 /nfs/dbraw/zinc/18/58/54/1092185854.db2.gz HRKVUJRSUFPWJG-UHFFFAOYSA-N -1 0 333.351 2.537 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2sccc2Br)C(=O)O1 ZINC000588467706 1092233349 /nfs/dbraw/zinc/23/33/49/1092233349.db2.gz JIFHJLLRXSNPFO-DLGQBQFBSA-N -1 0 341.182 2.739 20 30 EFEDRM CC(C)CCN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001649268332 1092285297 /nfs/dbraw/zinc/28/52/97/1092285297.db2.gz AJTJJSRZUVLFQE-UHFFFAOYSA-N -1 0 340.431 2.810 20 30 EFEDRM Cc1cc(Nc2c(C#N)cnn2C2CCOCC2)cc(C(=O)[O-])c1 ZINC001211539229 1092616140 /nfs/dbraw/zinc/61/61/40/1092616140.db2.gz MNJJTJXADBJGTD-UHFFFAOYSA-N -1 0 326.356 2.857 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001649719529 1092619502 /nfs/dbraw/zinc/61/95/02/1092619502.db2.gz HUBPPKKQCCDBLG-UHFFFAOYSA-N -1 0 338.335 2.840 20 30 EFEDRM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001588426182 1092944233 /nfs/dbraw/zinc/94/42/33/1092944233.db2.gz PSECVSQTVIVQDH-UHFFFAOYSA-N -1 0 349.394 2.791 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC001588456228 1092946491 /nfs/dbraw/zinc/94/64/91/1092946491.db2.gz JEYGMGJKMDZJLL-OKILXGFUSA-N -1 0 341.440 2.668 20 30 EFEDRM C=C(CC)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[nH]n1 ZINC001588441474 1092946740 /nfs/dbraw/zinc/94/67/40/1092946740.db2.gz FVWFGFKVYLFYBQ-UHFFFAOYSA-N -1 0 344.444 2.557 20 30 EFEDRM C=CC(C)(C)CCNC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001588486271 1092950046 /nfs/dbraw/zinc/95/00/46/1092950046.db2.gz FBJAHXLSBGYAFK-UHFFFAOYSA-N -1 0 325.416 2.617 20 30 EFEDRM C=C[C@@H](C(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC001588468009 1092950976 /nfs/dbraw/zinc/95/09/76/1092950976.db2.gz OVIVVGSKWPQDBX-CQSZACIVSA-N -1 0 335.367 2.784 20 30 EFEDRM C=CC[C@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[nH]n1 ZINC001588541821 1092954597 /nfs/dbraw/zinc/95/45/97/1092954597.db2.gz SVJOYFSTVRCJLT-LBPRGKRZSA-N -1 0 343.435 2.717 20 30 EFEDRM C=CCCCN(CC)C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588601243 1092966213 /nfs/dbraw/zinc/96/62/13/1092966213.db2.gz FZOPYCULBKTMPP-UHFFFAOYSA-N -1 0 332.383 2.504 20 30 EFEDRM C=CCCCN(C)C(=O)C(C)(C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001588602046 1092967840 /nfs/dbraw/zinc/96/78/40/1092967840.db2.gz YZRYLILBTVDCHR-UHFFFAOYSA-N -1 0 331.395 2.708 20 30 EFEDRM C=CCCN(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(C)C ZINC001588603227 1092968259 /nfs/dbraw/zinc/96/82/59/1092968259.db2.gz IMXAMQVPSIRRHV-UHFFFAOYSA-N -1 0 330.392 2.694 20 30 EFEDRM C=CCN(c1nccc(Oc2cccc(-c3nn[nH]n3)c2)n1)C1CC1 ZINC001588653426 1092974752 /nfs/dbraw/zinc/97/47/52/1092974752.db2.gz HWEWVAXTFNOXJF-UHFFFAOYSA-N -1 0 335.371 2.604 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588653654 1092976474 /nfs/dbraw/zinc/97/64/74/1092976474.db2.gz SEDIVXLXJFXQSR-UHFFFAOYSA-N -1 0 344.378 2.567 20 30 EFEDRM CC#CC(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC001588739114 1092983985 /nfs/dbraw/zinc/98/39/85/1092983985.db2.gz ZCODWFYQRSVYMP-UHFFFAOYSA-N -1 0 337.314 2.760 20 30 EFEDRM CC#CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC001588738851 1092984407 /nfs/dbraw/zinc/98/44/07/1092984407.db2.gz STCWPURVYIKXPY-UHFFFAOYSA-N -1 0 333.351 2.929 20 30 EFEDRM Cc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c(O)c1 ZINC001588781250 1092992249 /nfs/dbraw/zinc/99/22/49/1092992249.db2.gz OXDKNRQIKLIMID-UHFFFAOYSA-N -1 0 341.375 2.828 20 30 EFEDRM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001588882783 1092999793 /nfs/dbraw/zinc/99/97/93/1092999793.db2.gz SNRYKJYTHLLHIK-HJWRWDBZSA-N -1 0 333.351 2.721 20 30 EFEDRM CC(C)Sc1ccc([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001650225500 1093042493 /nfs/dbraw/zinc/04/24/93/1093042493.db2.gz AWNAUJPIURHJQC-LLVKDONJSA-N -1 0 344.440 2.619 20 30 EFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)cn2)o1 ZINC001589238444 1093054967 /nfs/dbraw/zinc/05/49/67/1093054967.db2.gz XAFJZBSFNQYHQW-UHFFFAOYSA-N -1 0 346.782 2.647 20 30 EFEDRM CC(C)(CCC#N)COC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC001589272901 1093062789 /nfs/dbraw/zinc/06/27/89/1093062789.db2.gz SITNSYLPKZBRRO-UHFFFAOYSA-N -1 0 327.388 2.672 20 30 EFEDRM CC(C)[C@H]1CCC[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001589507370 1093098848 /nfs/dbraw/zinc/09/88/48/1093098848.db2.gz JDLXGWGGSZAGMP-RYUDHWBXSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001589664833 1093122593 /nfs/dbraw/zinc/12/25/93/1093122593.db2.gz YHCXGGQWUYTUJK-UHFFFAOYSA-N -1 0 347.329 2.777 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC=CCc2ccco2)o1 ZINC001589664693 1093123826 /nfs/dbraw/zinc/12/38/26/1093123826.db2.gz VKRPQPMJVMRWGI-KRYSJNIRSA-N -1 0 327.348 2.757 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCC(C)(C)[C@@H]2CCCCO2)o1 ZINC001589773951 1093142324 /nfs/dbraw/zinc/14/23/24/1093142324.db2.gz QKYISZYDDYZOLR-NSHDSACASA-N -1 0 347.423 2.971 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc3ncccc3c2)o1 ZINC001589773397 1093143161 /nfs/dbraw/zinc/14/31/61/1093143161.db2.gz ALEVERCUFFGZOU-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001650320564 1093150943 /nfs/dbraw/zinc/15/09/43/1093150943.db2.gz GYMYDYSSRUXWKE-SRCQZFHVSA-N -1 0 341.411 2.688 20 30 EFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccoc2)o1 ZINC001589901646 1093173139 /nfs/dbraw/zinc/17/31/39/1093173139.db2.gz BAFKXKYITANIAI-UHFFFAOYSA-N -1 0 329.364 2.677 20 30 EFEDRM CCN(CC1CC1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001650518616 1093358037 /nfs/dbraw/zinc/35/80/37/1093358037.db2.gz BHUUKFHOYUILPH-UHFFFAOYSA-N -1 0 338.415 2.564 20 30 EFEDRM CCOc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)o1 ZINC001590838186 1093591205 /nfs/dbraw/zinc/59/12/05/1093591205.db2.gz YDQYAAYMCJOJDK-UHFFFAOYSA-N -1 0 345.363 2.590 20 30 EFEDRM CCSCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1ccccc1 ZINC001590852504 1093599050 /nfs/dbraw/zinc/59/90/50/1093599050.db2.gz JGVUJGVMIPLCPD-UHFFFAOYSA-N -1 0 343.416 2.732 20 30 EFEDRM CC(C)C#CC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001590927009 1093633209 /nfs/dbraw/zinc/63/32/09/1093633209.db2.gz OOSDTEBZNPPCQC-GFCCVEGCSA-N -1 0 344.230 2.754 20 30 EFEDRM COCC(CC(C)(C)C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC001591374970 1093709216 /nfs/dbraw/zinc/70/92/16/1093709216.db2.gz IIPNRNKTFGQEBM-UHFFFAOYSA-N -1 0 349.439 2.904 20 30 EFEDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001591423554 1093720210 /nfs/dbraw/zinc/72/02/10/1093720210.db2.gz XQQSOUUMOWAKPV-NSHDSACASA-N -1 0 343.305 2.543 20 30 EFEDRM Cc1cc(C=CC(=O)c2ccc(C(=O)[O-])s2)ccc1-c1nn[nH]n1 ZINC001591959643 1093933403 /nfs/dbraw/zinc/93/34/03/1093933403.db2.gz UNHRDMQPUCKTNT-HYXAFXHYSA-N -1 0 340.364 2.831 20 30 EFEDRM Cc1sc(NC(=O)c2cc(C#N)ccc2C)c(-c2nn[nH]n2)c1C ZINC001592113250 1093984464 /nfs/dbraw/zinc/98/44/64/1093984464.db2.gz KNZUSEMHIDTKPI-UHFFFAOYSA-N -1 0 338.396 2.977 20 30 EFEDRM Cc1ccc(Br)c(N2CC[C@](C)(C#N)C2)c1-c1nn[nH]n1 ZINC001592111877 1093984751 /nfs/dbraw/zinc/98/47/51/1093984751.db2.gz DLEBYBVFIOVEDN-CQSZACIVSA-N -1 0 347.220 2.678 20 30 EFEDRM Cc1ccc2ccc(Oc3cnc(-c4nnn[n-]4)c(C#N)n3)cc2c1 ZINC001592207986 1094031319 /nfs/dbraw/zinc/03/13/19/1094031319.db2.gz ODSZZQAVARJQRJ-UHFFFAOYSA-N -1 0 329.323 2.782 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC2CC[C@H](Cc3ccccc3)C2)o1 ZINC001592337029 1094081017 /nfs/dbraw/zinc/08/10/17/1094081017.db2.gz NBIXGXOTVNQKOQ-CYBMUJFWSA-N -1 0 337.387 2.974 20 30 EFEDRM Fc1ccc(C=Nn2cnc3ccccc32)c(Cl)c1-c1nn[nH]n1 ZINC001592648158 1094161434 /nfs/dbraw/zinc/16/14/34/1094161434.db2.gz AMYRGPYBVXFCOZ-UHFFFAOYSA-N -1 0 341.737 2.891 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(-c2cccs2)cc1 ZINC001592684281 1094176572 /nfs/dbraw/zinc/17/65/72/1094176572.db2.gz KDRNVLMYCNOVGH-UHFFFAOYSA-N -1 0 333.380 2.712 20 30 EFEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(-c2ccsc2)cc1 ZINC001592684493 1094176581 /nfs/dbraw/zinc/17/65/81/1094176581.db2.gz UKZZIPBYHRVDNL-UHFFFAOYSA-N -1 0 333.380 2.712 20 30 EFEDRM O=C(C=Cc1cccc(F)c1-c1nn[nH]n1)c1ccc([O-])c(F)c1 ZINC001592794858 1094189775 /nfs/dbraw/zinc/18/97/75/1094189775.db2.gz SQHMXASFASTPSW-GQCTYLIASA-N -1 0 328.278 2.747 20 30 EFEDRM O=C([O-])c1cccc(C=NNc2cccc(-c3nn[nH]n3)c2)c1Cl ZINC001593282785 1094265703 /nfs/dbraw/zinc/26/57/03/1094265703.db2.gz FHLISAJXOMBGBA-UHFFFAOYSA-N -1 0 342.746 2.664 20 30 EFEDRM O=C([O-])[C@H]1CC(=Cc2cccc(-c3nn[nH]n3)c2)C(=O)c2ccccc21 ZINC001593380881 1094302361 /nfs/dbraw/zinc/30/23/61/1094302361.db2.gz UPOBGOXDAXYZFV-WQMJKPAKSA-N -1 0 346.346 2.705 20 30 EFEDRM O=C([O-])[C@@H]1CC(=Cc2cccc(-c3nn[nH]n3)c2)C(=O)c2ccccc21 ZINC001593380873 1094304197 /nfs/dbraw/zinc/30/41/97/1094304197.db2.gz UPOBGOXDAXYZFV-RCBBPTIPSA-N -1 0 346.346 2.705 20 30 EFEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594339983 1094425191 /nfs/dbraw/zinc/42/51/91/1094425191.db2.gz LMVKZOTZZYJNJG-HXPMCKFVSA-N -1 0 339.395 2.997 20 30 EFEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC#C[C@@H]1CCCCO1 ZINC001597456721 1094589541 /nfs/dbraw/zinc/58/95/41/1094589541.db2.gz AWWLPCJGRIVYBC-HNNXBMFYSA-N -1 0 330.384 2.641 20 30 EFEDRM CCn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C2CC2)n1 ZINC001597880453 1094635886 /nfs/dbraw/zinc/63/58/86/1094635886.db2.gz VJXMLWZFTRAXIE-MRXNPFEDSA-N -1 0 339.351 2.635 20 30 EFEDRM CN(C(=O)c1c[nH]c2cccc(C#N)c21)c1ccc(OCC(=O)[O-])cc1 ZINC001598073877 1094653040 /nfs/dbraw/zinc/65/30/40/1094653040.db2.gz YVHAJCXJMJVZLY-UHFFFAOYSA-N -1 0 349.346 2.780 20 30 EFEDRM Cc1c2cc(C(=O)/C=C\c3cncnc3)cnc2sc1C(=O)[O-] ZINC001600004657 1094712988 /nfs/dbraw/zinc/71/29/88/1094712988.db2.gz AMDUERPMMALTDX-IHWYPQMZSA-N -1 0 325.349 2.989 20 30 EFEDRM Cc1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)sc2nccn12 ZINC001600006360 1094715141 /nfs/dbraw/zinc/71/51/41/1094715141.db2.gz LQLRDTQOYBVKKA-UHFFFAOYSA-N -1 0 341.348 2.631 20 30 EFEDRM Cc1c(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)cnn1C(C)(C)C ZINC001600006334 1094715761 /nfs/dbraw/zinc/71/57/61/1094715761.db2.gz HUIXGRGQANMRTM-UHFFFAOYSA-N -1 0 340.379 2.853 20 30 EFEDRM Cc1c(/C=C/C(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])nn1C ZINC001600009763 1094719203 /nfs/dbraw/zinc/71/92/03/1094719203.db2.gz RACJYTOXGMBGMN-VOTSOKGWSA-N -1 0 326.352 2.648 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1OS(=O)(=O)c1ccc(C#N)s1 ZINC001600019708 1094725498 /nfs/dbraw/zinc/72/54/98/1094725498.db2.gz IBTPTMNQCVAFNO-UHFFFAOYSA-N -1 0 341.341 2.533 20 30 EFEDRM Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cccc1C(=O)[O-] ZINC001600027983 1094728382 /nfs/dbraw/zinc/72/83/82/1094728382.db2.gz QIOOOZSEONGNIM-GOSISDBHSA-N -1 0 346.383 2.893 20 30 EFEDRM Cc1c(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600035911 1094733239 /nfs/dbraw/zinc/73/32/39/1094733239.db2.gz ZTQIPWBSMFLNIB-ZWNOBZJWSA-N -1 0 346.343 2.757 20 30 EFEDRM Cc1c(NC(=O)NCC2(C#N)CCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600039219 1094733758 /nfs/dbraw/zinc/73/37/58/1094733758.db2.gz GEPDDILQSFPEQB-UHFFFAOYSA-N -1 0 346.343 2.807 20 30 EFEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600074898 1094753566 /nfs/dbraw/zinc/75/35/66/1094753566.db2.gz DCPVYSOSYVZMQY-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM Cc1cc(C#N)cc(C)c1CC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001600074884 1094753657 /nfs/dbraw/zinc/75/36/57/1094753657.db2.gz UXGJUONJMHIWQW-UHFFFAOYSA-N -1 0 342.317 2.583 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001600075005 1094753852 /nfs/dbraw/zinc/75/38/52/1094753852.db2.gz XZYXGIQTXXHITN-IBGZPJMESA-N -1 0 337.379 2.690 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001600074376 1094754115 /nfs/dbraw/zinc/75/41/15/1094754115.db2.gz BCSQVVMKQFXIOH-UHFFFAOYSA-N -1 0 338.363 2.915 20 30 EFEDRM Cc1cc(C#N)cc(C)c1C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001600075006 1094754150 /nfs/dbraw/zinc/75/41/50/1094754150.db2.gz XZYXGIQTXXHITN-LJQANCHMSA-N -1 0 337.379 2.690 20 30 EFEDRM Cc1cc(C(=O)/C=C/c2cc(C)c(OCC(=O)[O-])c(C)c2)n(C)n1 ZINC001600075671 1094754719 /nfs/dbraw/zinc/75/47/19/1094754719.db2.gz KXDCCCAWMQPLTJ-AATRIKPKSA-N -1 0 328.368 2.705 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001600076265 1094755031 /nfs/dbraw/zinc/75/50/31/1094755031.db2.gz QPMGNAUTZKRPBN-YVEFUNNKSA-N -1 0 335.363 2.554 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001600076394 1094755506 /nfs/dbraw/zinc/75/55/06/1094755506.db2.gz XXVKUVRIVUVHPI-CQSZACIVSA-N -1 0 337.379 2.625 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001600076177 1094756012 /nfs/dbraw/zinc/75/60/12/1094756012.db2.gz MXBFGGZEYZRJTP-HOTGVXAUSA-N -1 0 341.411 2.757 20 30 EFEDRM Cc1cc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)ncc1C#N ZINC001600092974 1094766156 /nfs/dbraw/zinc/76/61/56/1094766156.db2.gz RWRFAZPLHRRVMC-UHFFFAOYSA-N -1 0 349.346 2.679 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(C)n2)cc(C)c1OCC(=O)[O-] ZINC001600098045 1094768179 /nfs/dbraw/zinc/76/81/79/1094768179.db2.gz GQDKPXFTBRLBPC-UHFFFAOYSA-N -1 0 339.351 2.594 20 30 EFEDRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)ncc1C#N ZINC001600100337 1094771556 /nfs/dbraw/zinc/77/15/56/1094771556.db2.gz YBAOCDVAMYRNCY-UHFFFAOYSA-N -1 0 339.351 2.758 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC001600106886 1094775887 /nfs/dbraw/zinc/77/58/87/1094775887.db2.gz DTOFKLXXEJOYBJ-UHFFFAOYSA-N -1 0 349.390 2.786 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001600122028 1094784953 /nfs/dbraw/zinc/78/49/53/1094784953.db2.gz OONCQHDNZOFPBV-UHFFFAOYSA-N -1 0 344.367 2.563 20 30 EFEDRM Cc1cc(C(=O)OCCCCCC(=O)[O-])nn1-c1cccc(C#N)c1 ZINC001600138074 1094797040 /nfs/dbraw/zinc/79/70/40/1094797040.db2.gz AVHQLZULFNSQEH-UHFFFAOYSA-N -1 0 341.367 2.854 20 30 EFEDRM N#Cc1cc(NC(=O)c2cn3cc(Cl)ccc3n2)c([O-])cc1F ZINC001149288821 1094817512 /nfs/dbraw/zinc/81/75/12/1094817512.db2.gz AAJVMVBPVCHLEY-UHFFFAOYSA-N -1 0 330.706 2.956 20 30 EFEDRM Cc1cc(C)c(C)c(OS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])c1 ZINC001600159345 1094823029 /nfs/dbraw/zinc/82/30/29/1094823029.db2.gz OHOZVITZZVVRAL-UHFFFAOYSA-N -1 0 345.376 2.949 20 30 EFEDRM COc1cccc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1OC ZINC001204656224 1094847506 /nfs/dbraw/zinc/84/75/06/1094847506.db2.gz GDJOPEGYVSZBKZ-UHFFFAOYSA-N -1 0 325.344 2.956 20 30 EFEDRM Cc1cc(/C=C2/C(=O)c3nccn3[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC001600186606 1094850996 /nfs/dbraw/zinc/85/09/96/1094850996.db2.gz QFCMCDCEBGZLHH-ZBQKXELDSA-N -1 0 326.352 2.804 20 30 EFEDRM Cc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnc1C(F)F ZINC001600259347 1094920741 /nfs/dbraw/zinc/92/07/41/1094920741.db2.gz DOHBOAXYVSCKMR-UHFFFAOYSA-N -1 0 338.314 2.550 20 30 EFEDRM Cc1cc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C#N)cc1N(C)C ZINC001600275293 1094937377 /nfs/dbraw/zinc/93/73/77/1094937377.db2.gz KIELYEZMIDUDFL-ALCCZGGFSA-N -1 0 339.351 2.876 20 30 EFEDRM Cc1ccc(-c2nnc([C@H](C)N3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001600319379 1094969416 /nfs/dbraw/zinc/96/94/16/1094969416.db2.gz XFZBCMQTRCSDJH-ZDUSSCGKSA-N -1 0 340.383 2.796 20 30 EFEDRM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001600322369 1094972272 /nfs/dbraw/zinc/97/22/72/1094972272.db2.gz HQBPOIQDOMEUPU-UHFFFAOYSA-N -1 0 339.395 2.843 20 30 EFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001600328449 1094975196 /nfs/dbraw/zinc/97/51/96/1094975196.db2.gz HMALVEYWXJKCAN-SFHVURJKSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001600328456 1094975453 /nfs/dbraw/zinc/97/54/53/1094975453.db2.gz HPWSMIAZPJBTCI-UHFFFAOYSA-N -1 0 349.339 2.780 20 30 EFEDRM Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001600328534 1094976477 /nfs/dbraw/zinc/97/64/77/1094976477.db2.gz AFMPQANSMPUFKA-OFAQMXQXSA-N -1 0 329.396 2.884 20 30 EFEDRM Cc1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)cc1C(=O)[O-] ZINC001600334954 1094981234 /nfs/dbraw/zinc/98/12/34/1094981234.db2.gz PRFSCXVRXATJEK-UHFFFAOYSA-N -1 0 334.375 2.958 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001600347301 1094989354 /nfs/dbraw/zinc/98/93/54/1094989354.db2.gz IZWOLZTUINNVCH-UITAMQMPSA-N -1 0 343.310 2.759 20 30 EFEDRM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001600347302 1094989640 /nfs/dbraw/zinc/98/96/40/1094989640.db2.gz IZWOLZTUINNVCH-WEVVVXLNSA-N -1 0 343.310 2.759 20 30 EFEDRM Cc1ccc(C(=O)OCCOc2ccccc2C(=O)[O-])cc1C#N ZINC001600365965 1095005462 /nfs/dbraw/zinc/00/54/62/1095005462.db2.gz YGMNRVCIGXKKNX-UHFFFAOYSA-N -1 0 325.320 2.801 20 30 EFEDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C#N)ccc2F)cc1 ZINC001600372870 1095011341 /nfs/dbraw/zinc/01/13/41/1095011341.db2.gz UUCAXDHPUZMCBM-INIZCTEOSA-N -1 0 326.327 2.952 20 30 EFEDRM Cc1ccc(C(N)=NOCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001600379506 1095018548 /nfs/dbraw/zinc/01/85/48/1095018548.db2.gz YAXYJLAFDLSBIP-UHFFFAOYSA-N -1 0 327.315 2.751 20 30 EFEDRM Cc1ccc(CS(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC001600421662 1095052079 /nfs/dbraw/zinc/05/20/79/1095052079.db2.gz FUHJAURLAHPJQI-GOEBONIOSA-N -1 0 335.425 2.673 20 30 EFEDRM Cc1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cc1Br ZINC001600426215 1095055881 /nfs/dbraw/zinc/05/58/81/1095055881.db2.gz KFMXILCCJSXIOI-UHFFFAOYSA-N -1 0 347.168 2.537 20 30 EFEDRM Cc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])n(C)c2)cc1C ZINC001600458540 1095081585 /nfs/dbraw/zinc/08/15/85/1095081585.db2.gz PHPKHGCFMWLCQH-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001600479115 1095097458 /nfs/dbraw/zinc/09/74/58/1095097458.db2.gz KSOMLIJXXOGRCJ-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001600483184 1095100490 /nfs/dbraw/zinc/10/04/90/1095100490.db2.gz LDEPXLZMZBDSGI-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1ccc2c(c1)nc(CN[C@@H](C(=O)[O-])c1cccc(C#N)c1)n2C ZINC001600498551 1095112761 /nfs/dbraw/zinc/11/27/61/1095112761.db2.gz GVJAHUUOAYGDGP-GOSISDBHSA-N -1 0 334.379 2.669 20 30 EFEDRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)CCC2 ZINC001600497963 1095113284 /nfs/dbraw/zinc/11/32/84/1095113284.db2.gz QEJDZSBKPWUUCW-INIZCTEOSA-N -1 0 341.411 2.772 20 30 EFEDRM Cc1cccc([C@H](OC(=O)COc2ccc(C#N)cc2)C(=O)[O-])c1C ZINC001600519535 1095130247 /nfs/dbraw/zinc/13/02/47/1095130247.db2.gz JGAPRTGNTJWIMJ-SFHVURJKSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cccc(C)c1NC(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001600522131 1095133488 /nfs/dbraw/zinc/13/34/88/1095133488.db2.gz MINORUJMNMMDCM-UHFFFAOYSA-N -1 0 326.352 2.991 20 30 EFEDRM Cc1cccc(C)c1NC(=S)NN=Cc1cc(C(=O)[O-])n(C)c1 ZINC001600523592 1095135264 /nfs/dbraw/zinc/13/52/64/1095135264.db2.gz YJZYDKVUKDRKQF-UHFFFAOYSA-N -1 0 330.413 2.661 20 30 EFEDRM Cc1cccc(N=C2NC(=O)/C(=C/c3cccc(C(=O)[O-])n3)S2)c1 ZINC001600541734 1095149608 /nfs/dbraw/zinc/14/96/08/1095149608.db2.gz ABEWFJHWLSSHDA-ZROIWOOFSA-N -1 0 339.376 2.980 20 30 EFEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)Nc3ccccc3C(=O)[O-])nc21 ZINC001600555312 1095160350 /nfs/dbraw/zinc/16/03/50/1095160350.db2.gz PXYFMBSCWQFYNY-LBPRGKRZSA-N -1 0 334.335 2.815 20 30 EFEDRM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(c2ccsc2C#N)CC1 ZINC001600567888 1095172452 /nfs/dbraw/zinc/17/24/52/1095172452.db2.gz OFFOLJSZLRNALG-QGZVFWFLSA-N -1 0 341.436 2.876 20 30 EFEDRM Cc1cccnc1Oc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1 ZINC001600592545 1095194105 /nfs/dbraw/zinc/19/41/05/1095194105.db2.gz IPFFUGCOBQHIAR-UHFFFAOYSA-N -1 0 339.351 2.623 20 30 EFEDRM Cc1ccnc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1C#N ZINC001600601940 1095202466 /nfs/dbraw/zinc/20/24/66/1095202466.db2.gz LZIFEMLCERBMRZ-LSDHHAIUSA-N -1 0 343.333 2.845 20 30 EFEDRM Cc1ccoc1C(=O)/C=C\c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001600606140 1095206415 /nfs/dbraw/zinc/20/64/15/1095206415.db2.gz NYAUJHDEUQWIGY-RQOWECAXSA-N -1 0 331.280 2.856 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001600641006 1095230354 /nfs/dbraw/zinc/23/03/54/1095230354.db2.gz HOYYNIWDJGJZPL-UHFFFAOYSA-N -1 0 340.379 2.838 20 30 EFEDRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC001600641210 1095230621 /nfs/dbraw/zinc/23/06/21/1095230621.db2.gz QZXHBOBKVUALCW-LBPRGKRZSA-N -1 0 332.743 2.863 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC001600651605 1095238116 /nfs/dbraw/zinc/23/81/16/1095238116.db2.gz MPJHMOWFNUAQJU-NSHDSACASA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC001600651604 1095238519 /nfs/dbraw/zinc/23/85/19/1095238519.db2.gz MPJHMOWFNUAQJU-LLVKDONJSA-N -1 0 335.429 2.707 20 30 EFEDRM Cc1csc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)c1C#N ZINC001600663547 1095244643 /nfs/dbraw/zinc/24/46/43/1095244643.db2.gz LRSHXMPQDCEJLK-MRXNPFEDSA-N -1 0 344.396 2.835 20 30 EFEDRM Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)ccc1C#N ZINC001600684093 1095257733 /nfs/dbraw/zinc/25/77/33/1095257733.db2.gz RDABPEZUFMEAMT-YUNKPMOVSA-N -1 0 349.390 2.869 20 30 EFEDRM Cc1nc(C(C)C)oc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001600689878 1095262565 /nfs/dbraw/zinc/26/25/65/1095262565.db2.gz UOPVEDPZXIRTQP-AWEZNQCLSA-N -1 0 328.324 2.961 20 30 EFEDRM Cc1nc(CC2CC2)oc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001600698495 1095270570 /nfs/dbraw/zinc/27/05/70/1095270570.db2.gz XTHYPNLMIMCVRJ-UHFFFAOYSA-N -1 0 340.335 2.862 20 30 EFEDRM Cc1nc(COC(=O)C2(c3cccc(C#N)c3)CC2)sc1C(=O)[O-] ZINC001600705027 1095275392 /nfs/dbraw/zinc/27/53/92/1095275392.db2.gz JSROJTJDUTWCPO-UHFFFAOYSA-N -1 0 342.376 2.796 20 30 EFEDRM Cc1nc(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(Cl)cc1C#N ZINC001600715920 1095284424 /nfs/dbraw/zinc/28/44/24/1095284424.db2.gz MIAQEISPBRTIMU-CQSZACIVSA-N -1 0 349.749 2.998 20 30 EFEDRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CC[C@@H](CC#N)C3)c12 ZINC001600718897 1095285641 /nfs/dbraw/zinc/28/56/41/1095285641.db2.gz YRLIYRXWFFATAJ-QWRGUYRKSA-N -1 0 330.413 2.923 20 30 EFEDRM Cc1nc2c(cccc2C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1 ZINC001600721499 1095287941 /nfs/dbraw/zinc/28/79/41/1095287941.db2.gz ZJJLYDSCPTZVQL-MRXNPFEDSA-N -1 0 336.303 2.991 20 30 EFEDRM Cc1ncc(NC(=O)c2cc3ccccc3n2CC#N)cc1C(=O)[O-] ZINC001600744441 1095304050 /nfs/dbraw/zinc/30/40/50/1095304050.db2.gz YRCGLPPZAQUTLK-UHFFFAOYSA-N -1 0 334.335 2.819 20 30 EFEDRM Cc1nn(-c2ccccc2)c(COC(=O)CCCCC(=O)[O-])c1C#N ZINC001600762136 1095314751 /nfs/dbraw/zinc/31/47/51/1095314751.db2.gz QTGHOJJBXNKIFK-UHFFFAOYSA-N -1 0 341.367 2.741 20 30 EFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001600783635 1095329524 /nfs/dbraw/zinc/32/95/24/1095329524.db2.gz SFJBNMOEHCRUEH-HUUCEWRRSA-N -1 0 347.415 2.533 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CC1(C#N)CCCCC1 ZINC001600785581 1095332414 /nfs/dbraw/zinc/33/24/14/1095332414.db2.gz VDCIHERFAGHQPA-UHFFFAOYSA-N -1 0 332.404 2.777 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001600821977 1095354287 /nfs/dbraw/zinc/35/42/87/1095354287.db2.gz NQIVUZRFXLEJDV-AWEZNQCLSA-N -1 0 333.727 2.966 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600822651 1095356850 /nfs/dbraw/zinc/35/68/50/1095356850.db2.gz WBCANQUYFHANIX-KRWDZBQOSA-N -1 0 330.315 2.719 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001600830972 1095363603 /nfs/dbraw/zinc/36/36/03/1095363603.db2.gz XEGPILJBEAIITE-CQSZACIVSA-N -1 0 338.319 2.584 20 30 EFEDRM Cc1oc(CN(C)C(=O)[C@H](CC#N)c2ccccc2)cc1C(=O)[O-] ZINC001600839883 1095372140 /nfs/dbraw/zinc/37/21/40/1095372140.db2.gz IKUJQGLDDVSZND-OAHLLOKOSA-N -1 0 326.352 2.942 20 30 EFEDRM Cc1oc(CN(C)Cc2cc(C#N)ccc2N(C)C)cc1C(=O)[O-] ZINC001600842531 1095372767 /nfs/dbraw/zinc/37/27/67/1095372767.db2.gz PBDULTXFWWETPP-UHFFFAOYSA-N -1 0 327.384 2.856 20 30 EFEDRM Cc1oc(CN(C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001600843168 1095373862 /nfs/dbraw/zinc/37/38/62/1095373862.db2.gz KOYINXAXBLRWFS-UHFFFAOYSA-N -1 0 329.312 2.698 20 30 EFEDRM Cc1oc(CNC(=O)[C@@H](C#N)CCc2ccccc2)cc1C(=O)[O-] ZINC001600847488 1095377390 /nfs/dbraw/zinc/37/73/90/1095377390.db2.gz IMLWXJGEBPYGIE-CQSZACIVSA-N -1 0 326.352 2.675 20 30 EFEDRM Cc1oc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001600848693 1095378427 /nfs/dbraw/zinc/37/84/27/1095378427.db2.gz WLSCSURYMDSEJG-JTQLQIEISA-N -1 0 327.340 2.718 20 30 EFEDRM Cc1oc(CNC(=O)[C@H](C#N)CCc2ccccc2)cc1C(=O)[O-] ZINC001600847487 1095378438 /nfs/dbraw/zinc/37/84/38/1095378438.db2.gz IMLWXJGEBPYGIE-AWEZNQCLSA-N -1 0 326.352 2.675 20 30 EFEDRM Cc1oc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1C(=O)[O-] ZINC001600854321 1095383999 /nfs/dbraw/zinc/38/39/99/1095383999.db2.gz BKODPRFGAWVWJE-UHFFFAOYSA-N -1 0 331.372 2.990 20 30 EFEDRM Cc1oc(COC(=O)C2(c3cccc(C#N)c3)CC2)cc1C(=O)[O-] ZINC001600853096 1095384139 /nfs/dbraw/zinc/38/41/39/1095384139.db2.gz KNLFQUDPXMWUPL-UHFFFAOYSA-N -1 0 325.320 2.933 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1COC(=O)C1(C#N)CCSCC1 ZINC001600867864 1095390919 /nfs/dbraw/zinc/39/09/19/1095390919.db2.gz LFMQRWAFLRRAGU-UHFFFAOYSA-N -1 0 325.411 2.835 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1NC(=O)NCc1cccc(OCC#N)c1 ZINC001600871706 1095395060 /nfs/dbraw/zinc/39/50/60/1095395060.db2.gz COUAXVGQLFFJDN-UHFFFAOYSA-N -1 0 345.380 2.979 20 30 EFEDRM Cn1c(/C=C2/S/C(=N/C3CCCCC3)NC2=O)ccc1C(=O)[O-] ZINC001600910984 1095422639 /nfs/dbraw/zinc/42/26/39/1095422639.db2.gz AYCZTERZFLLECB-UKTHLTGXSA-N -1 0 333.413 2.616 20 30 EFEDRM Cn1c(CN=Nc2ncnc3c4ccccc4oc32)ccc1C(=O)[O-] ZINC001600912893 1095424000 /nfs/dbraw/zinc/42/40/00/1095424000.db2.gz XBWJJYJFUABYLR-UHFFFAOYSA-N -1 0 335.323 2.859 20 30 EFEDRM Cn1cc([C@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2)cn1 ZINC001600938717 1095437305 /nfs/dbraw/zinc/43/73/05/1095437305.db2.gz DFFWZHUJVYUISJ-MOPGFXCFSA-N -1 0 346.390 2.797 20 30 EFEDRM Cn1ncc(C2CCC2)c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001601026614 1095471819 /nfs/dbraw/zinc/47/18/19/1095471819.db2.gz IAINSBYDAVCNSV-INIZCTEOSA-N -1 0 339.351 2.542 20 30 EFEDRM Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601026713 1095472366 /nfs/dbraw/zinc/47/23/66/1095472366.db2.gz ORSWZILTDNPHQO-HJWRWDBZSA-N -1 0 326.352 2.657 20 30 EFEDRM N#CC(C(=O)Cc1cccc(C(=O)[O-])c1)c1cnc2ccccc2n1 ZINC001601046858 1095477485 /nfs/dbraw/zinc/47/74/85/1095477485.db2.gz DZBLOBJZABLRMO-CQSZACIVSA-N -1 0 331.331 2.747 20 30 EFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)Cc1ccccc1C(=O)[O-] ZINC001601047325 1095477569 /nfs/dbraw/zinc/47/75/69/1095477569.db2.gz MUTPYXGRFZXLIU-KRWDZBQOSA-N -1 0 347.370 2.937 20 30 EFEDRM Cn1nncc1CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001601045161 1095477654 /nfs/dbraw/zinc/47/76/54/1095477654.db2.gz WDFUHAVMZGLCNW-UHFFFAOYSA-N -1 0 332.363 2.525 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])[nH]1)c1nc2ccccc2n1C(F)F ZINC001601047790 1095478053 /nfs/dbraw/zinc/47/80/53/1095478053.db2.gz XVAMODDBAOTBKG-QMMMGPOBSA-N -1 0 344.277 2.948 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001601047435 1095478336 /nfs/dbraw/zinc/47/83/36/1095478336.db2.gz PSJKZSPXBRORLJ-ZFWWWQNUSA-N -1 0 328.393 2.763 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001601047432 1095478670 /nfs/dbraw/zinc/47/86/70/1095478670.db2.gz PSJKZSPXBRORLJ-DZGCQCFKSA-N -1 0 328.393 2.763 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001601049690 1095479675 /nfs/dbraw/zinc/47/96/75/1095479675.db2.gz PCIRGYQWDHEVNE-WMZOPIPTSA-N -1 0 349.390 2.621 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001601048566 1095479800 /nfs/dbraw/zinc/47/98/00/1095479800.db2.gz FSIWVAHMIGSBQU-LJQANCHMSA-N -1 0 335.407 2.767 20 30 EFEDRM N#C[C@]1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)CC12CCCC2 ZINC001601050626 1095479878 /nfs/dbraw/zinc/47/98/78/1095479878.db2.gz DADKRLPOSRKHNX-INIZCTEOSA-N -1 0 333.413 2.963 20 30 EFEDRM N#C[C@H](CCc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001601047898 1095479946 /nfs/dbraw/zinc/47/99/46/1095479946.db2.gz FMILXOQXBNLXDP-ZDUSSCGKSA-N -1 0 343.408 2.871 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC001601048711 1095479984 /nfs/dbraw/zinc/47/99/84/1095479984.db2.gz GUQXJXMQDKWDQJ-JSGCOSHPSA-N -1 0 341.392 2.753 20 30 EFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC001601049302 1095480074 /nfs/dbraw/zinc/48/00/74/1095480074.db2.gz KUAGXHOTPXJUBR-DOTOQJQBSA-N -1 0 335.363 2.692 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001601049182 1095480116 /nfs/dbraw/zinc/48/01/16/1095480116.db2.gz VIBRZBMZGLYMDV-OAHLLOKOSA-N -1 0 338.363 2.861 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCCOC1 ZINC001601050722 1095481467 /nfs/dbraw/zinc/48/14/67/1095481467.db2.gz HUJIESPGHKBTRT-AWEZNQCLSA-N -1 0 343.166 2.950 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001601051414 1095481675 /nfs/dbraw/zinc/48/16/75/1095481675.db2.gz OLJHFRJCYJHYJP-SOUVJXGZSA-N -1 0 333.432 2.745 20 30 EFEDRM N#C[C@@]1(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CC12CCCC2 ZINC001601050714 1095481738 /nfs/dbraw/zinc/48/17/38/1095481738.db2.gz HMYACULZCSRWEC-GOSISDBHSA-N -1 0 338.367 2.533 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC001601052994 1095482842 /nfs/dbraw/zinc/48/28/42/1095482842.db2.gz ZUKPSTBJVLVKLD-UHFFFAOYSA-N -1 0 342.399 2.509 20 30 EFEDRM N#CC1(CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CCCCC1 ZINC001601053512 1095482918 /nfs/dbraw/zinc/48/29/18/1095482918.db2.gz IXUCWMYYHIUNSU-UHFFFAOYSA-N -1 0 329.400 2.749 20 30 EFEDRM N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC001601053751 1095482939 /nfs/dbraw/zinc/48/29/39/1095482939.db2.gz REUAGDCKVKHYLE-ARFHVFGLSA-N -1 0 348.443 2.721 20 30 EFEDRM N#CC1(CCCCn2cc(CN3CCCC[C@H]3C(=O)[O-])nn2)CCC1 ZINC001601054107 1095483057 /nfs/dbraw/zinc/48/30/57/1095483057.db2.gz FYBCSXVINGLOBS-INIZCTEOSA-N -1 0 345.447 2.581 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ccon3)cc2)CC1 ZINC001601052995 1095483112 /nfs/dbraw/zinc/48/31/12/1095483112.db2.gz ZVOOGDHIRDDAGZ-UHFFFAOYSA-N -1 0 340.339 2.564 20 30 EFEDRM N#CC1(CC(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])CCCCC1 ZINC001601055448 1095483130 /nfs/dbraw/zinc/48/31/30/1095483130.db2.gz YRQMZQDEQKJYTA-INIZCTEOSA-N -1 0 342.395 2.594 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC001601055478 1095483246 /nfs/dbraw/zinc/48/32/46/1095483246.db2.gz KHUIYXIFKGWEST-UHFFFAOYSA-N -1 0 327.167 2.824 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC001601053154 1095483374 /nfs/dbraw/zinc/48/33/74/1095483374.db2.gz QVOZGDDJPMJPSE-UHFFFAOYSA-N -1 0 333.413 2.631 20 30 EFEDRM N#CC1(C(=O)OCc2cc(Br)ccc2C(=O)[O-])CCC1 ZINC001601053724 1095483502 /nfs/dbraw/zinc/48/35/02/1095483502.db2.gz QDOPNRSIPKKJOJ-UHFFFAOYSA-N -1 0 338.157 2.884 20 30 EFEDRM N#C[C@]1(F)CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001601057321 1095484350 /nfs/dbraw/zinc/48/43/50/1095484350.db2.gz UCEZXGKTKVNUDW-CYBMUJFWSA-N -1 0 327.153 2.585 20 30 EFEDRM N#CC1(CNC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCC1 ZINC001601056468 1095484357 /nfs/dbraw/zinc/48/43/57/1095484357.db2.gz JZRBVFNOUPTQRK-LJQANCHMSA-N -1 0 341.411 2.508 20 30 EFEDRM N#CC1(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCCC1 ZINC001601056563 1095484765 /nfs/dbraw/zinc/48/47/65/1095484765.db2.gz ONPANBSQQUXLFV-INIZCTEOSA-N -1 0 341.411 2.854 20 30 EFEDRM N#CC1(CNC(=O)NCCc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001601056294 1095484801 /nfs/dbraw/zinc/48/48/01/1095484801.db2.gz FGSPPHSQGFGRRW-UHFFFAOYSA-N -1 0 329.400 2.701 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2)CC1 ZINC001601058093 1095484890 /nfs/dbraw/zinc/48/48/90/1095484890.db2.gz IMSPLHDIWXAPAX-UHFFFAOYSA-N -1 0 336.347 2.957 20 30 EFEDRM N#CC[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001601061714 1095486122 /nfs/dbraw/zinc/48/61/22/1095486122.db2.gz FNOBGTIUJOEXNV-JTQLQIEISA-N -1 0 335.326 2.555 20 30 EFEDRM N#CC1CCC(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001601059635 1095486226 /nfs/dbraw/zinc/48/62/26/1095486226.db2.gz IXSQZBIOAKOZTG-UHFFFAOYSA-N -1 0 331.372 2.601 20 30 EFEDRM N#CC[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001601060910 1095486340 /nfs/dbraw/zinc/48/63/40/1095486340.db2.gz OOLUPXTYMAZGPB-HNNXBMFYSA-N -1 0 339.307 2.929 20 30 EFEDRM N#CCC1(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])CC1 ZINC001601061077 1095486417 /nfs/dbraw/zinc/48/64/17/1095486417.db2.gz AQXAIOQHWOTBSX-AWEZNQCLSA-N -1 0 349.228 2.954 20 30 EFEDRM N#C[C@H]1CCCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001601059554 1095486640 /nfs/dbraw/zinc/48/66/40/1095486640.db2.gz HASDGOPYQZHFMK-MRVPVSSYSA-N -1 0 325.727 2.945 20 30 EFEDRM N#CCCCn1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)c2ccccc21 ZINC001601067045 1095487684 /nfs/dbraw/zinc/48/76/84/1095487684.db2.gz ORDHFDQMMLYSDC-UHFFFAOYSA-N -1 0 337.379 2.634 20 30 EFEDRM N#CCCN(CCC#N)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001601066912 1095488068 /nfs/dbraw/zinc/48/80/68/1095488068.db2.gz NNMIWGISKPCWRJ-UHFFFAOYSA-N -1 0 336.189 2.777 20 30 EFEDRM N#CCCCC[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001601066090 1095488078 /nfs/dbraw/zinc/48/80/78/1095488078.db2.gz ZYJJDMAFXRWBAA-HSZRJFAPSA-N -1 0 332.381 2.982 20 30 EFEDRM N#CCCCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001601065806 1095488250 /nfs/dbraw/zinc/48/82/50/1095488250.db2.gz WOTYJPFWTCCZON-UHFFFAOYSA-N -1 0 344.396 2.862 20 30 EFEDRM N#CCCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001601065577 1095488323 /nfs/dbraw/zinc/48/83/23/1095488323.db2.gz JXCJJTDSEKQYND-MRXNPFEDSA-N -1 0 346.408 2.579 20 30 EFEDRM N#CCC1CN(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001601064151 1095488400 /nfs/dbraw/zinc/48/84/00/1095488400.db2.gz MXLAGNIPHRUYQA-LBPRGKRZSA-N -1 0 341.289 2.543 20 30 EFEDRM N#CCCCn1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c2ccccc21 ZINC001601067250 1095489416 /nfs/dbraw/zinc/48/94/16/1095489416.db2.gz RRKLEQZDGFAWCF-MRXNPFEDSA-N -1 0 339.395 2.928 20 30 EFEDRM N#CCCN1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001601067872 1095489463 /nfs/dbraw/zinc/48/94/63/1095489463.db2.gz RKRHLGCVWMRGPB-UHFFFAOYSA-N -1 0 339.395 2.676 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(Br)c2ccccc2c1 ZINC001601069409 1095489520 /nfs/dbraw/zinc/48/95/20/1095489520.db2.gz LIEKPQWMHHUBCW-UHFFFAOYSA-N -1 0 347.168 2.653 20 30 EFEDRM N#CCCc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001601068554 1095489539 /nfs/dbraw/zinc/48/95/39/1095489539.db2.gz GEDCSSRXIWYNSW-HNNXBMFYSA-N -1 0 327.384 2.861 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1ccccc1-c1ccccc1C#N ZINC001601071853 1095489582 /nfs/dbraw/zinc/48/95/82/1095489582.db2.gz KCAPVUMHTNVMMW-UHFFFAOYSA-N -1 0 333.347 2.666 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001601070171 1095489587 /nfs/dbraw/zinc/48/95/87/1095489587.db2.gz LANMNBBFQFGLSW-UHFFFAOYSA-N -1 0 330.771 2.863 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)Cc1coc2ccc3ccccc3c12 ZINC001601070391 1095489765 /nfs/dbraw/zinc/48/97/65/1095489765.db2.gz MDCVIVWRDVMOAJ-UHFFFAOYSA-N -1 0 336.347 2.955 20 30 EFEDRM N#CCN(CCC(=O)[O-])CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001601072093 1095489799 /nfs/dbraw/zinc/48/97/99/1095489799.db2.gz DHFYGNFDOSBQLT-UHFFFAOYSA-N -1 0 337.379 2.592 20 30 EFEDRM N#CCCN(C(=O)CSc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001601067125 1095490050 /nfs/dbraw/zinc/49/00/50/1095490050.db2.gz PRCCBQADIYLDAH-UHFFFAOYSA-N -1 0 347.421 2.880 20 30 EFEDRM N#CCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001601075678 1095491110 /nfs/dbraw/zinc/49/11/10/1095491110.db2.gz NETXAWCNHMBHIW-OAHLLOKOSA-N -1 0 331.349 2.562 20 30 EFEDRM N#CCOc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001601073661 1095491287 /nfs/dbraw/zinc/49/12/87/1095491287.db2.gz HITUNMDITOZYCS-UHFFFAOYSA-N -1 0 346.289 2.747 20 30 EFEDRM N#CCSc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001601076068 1095491342 /nfs/dbraw/zinc/49/13/42/1095491342.db2.gz UNRCWUKFABARAT-SJCJKPOMSA-N -1 0 330.409 2.629 20 30 EFEDRM N#CCSCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001601075645 1095491501 /nfs/dbraw/zinc/49/15/01/1095491501.db2.gz ICLFKNKDMKBIKP-NSHDSACASA-N -1 0 334.180 2.919 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001601073801 1095492019 /nfs/dbraw/zinc/49/20/19/1095492019.db2.gz OATCFCQEXQIYDN-UHFFFAOYSA-N -1 0 332.331 2.702 20 30 EFEDRM N#CCc1ccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001601076700 1095492760 /nfs/dbraw/zinc/49/27/60/1095492760.db2.gz PIIVQWSZPLWLLU-INIZCTEOSA-N -1 0 327.311 2.744 20 30 EFEDRM N#CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001601076784 1095492907 /nfs/dbraw/zinc/49/29/07/1095492907.db2.gz SBDHBKMEBMACQX-UHFFFAOYSA-N -1 0 325.280 2.611 20 30 EFEDRM N#CCc1cccc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001601077958 1095492928 /nfs/dbraw/zinc/49/29/28/1095492928.db2.gz SJGJTPGPZJXKRR-UHFFFAOYSA-N -1 0 338.338 2.788 20 30 EFEDRM N#CCc1ccccc1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001601078434 1095492987 /nfs/dbraw/zinc/49/29/87/1095492987.db2.gz MPEJLQLUYOSDNT-UHFFFAOYSA-N -1 0 344.754 2.991 20 30 EFEDRM N#CCc1cccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c1 ZINC001601077906 1095493120 /nfs/dbraw/zinc/49/31/20/1095493120.db2.gz QKOXRCPEAAMGPU-UHFFFAOYSA-N -1 0 341.392 2.967 20 30 EFEDRM N#CCc1ccccc1CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001601078132 1095493165 /nfs/dbraw/zinc/49/31/65/1095493165.db2.gz HNMNKVLTEMBJAT-UHFFFAOYSA-N -1 0 340.291 2.507 20 30 EFEDRM N#CCc1ccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001601076702 1095493190 /nfs/dbraw/zinc/49/31/90/1095493190.db2.gz PIIVQWSZPLWLLU-MRXNPFEDSA-N -1 0 327.311 2.744 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2 ZINC001601077617 1095493465 /nfs/dbraw/zinc/49/34/65/1095493465.db2.gz GYJWWDHVDIAYOX-SHTZXODSSA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)c1ccsc1C(=O)[O-])C2 ZINC001601078271 1095493492 /nfs/dbraw/zinc/49/34/92/1095493492.db2.gz QBGZBNDQLJVGHP-UHFFFAOYSA-N -1 0 326.377 2.711 20 30 EFEDRM N#CCSc1ccccc1NC(=O)CN1CCCCC[C@H]1C(=O)[O-] ZINC001601076345 1095493626 /nfs/dbraw/zinc/49/36/26/1095493626.db2.gz XYHFXENYZFPLQW-AWEZNQCLSA-N -1 0 347.440 2.570 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001601076689 1095493651 /nfs/dbraw/zinc/49/36/51/1095493651.db2.gz XVZWZUVGVZRXEA-UHFFFAOYSA-N -1 0 343.364 2.873 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601078910 1095494545 /nfs/dbraw/zinc/49/45/45/1095494545.db2.gz IQGONILUTNRAQI-UHFFFAOYSA-N -1 0 326.377 2.711 20 30 EFEDRM N#CCc1ccccc1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001601078728 1095494707 /nfs/dbraw/zinc/49/47/07/1095494707.db2.gz YAEAUPLVEMBFKI-SFHVURJKSA-N -1 0 334.331 2.536 20 30 EFEDRM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)C1 ZINC001601080147 1095494836 /nfs/dbraw/zinc/49/48/36/1095494836.db2.gz YUPHYNPZIRRZSM-NWDGAFQWSA-N -1 0 344.392 2.509 20 30 EFEDRM N#CCc1ccccc1CC(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001601078719 1095494882 /nfs/dbraw/zinc/49/48/82/1095494882.db2.gz XOIPJIWNWLEHPN-UHFFFAOYSA-N -1 0 327.311 2.876 20 30 EFEDRM N#Cc1c(COC(=O)c2cccc(Cl)c2N)cccc1C(=O)[O-] ZINC001601080190 1095495158 /nfs/dbraw/zinc/49/51/58/1095495158.db2.gz BEIDQDOKIPCIOT-UHFFFAOYSA-N -1 0 330.727 2.849 20 30 EFEDRM N#CCc1ccsc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001601079095 1095495243 /nfs/dbraw/zinc/49/52/43/1095495243.db2.gz MVSWITCAJWPRHZ-UHFFFAOYSA-N -1 0 326.337 2.641 20 30 EFEDRM N#Cc1c(Br)cccc1N1CCSC[C@H](C(=O)[O-])C1 ZINC001601079801 1095495255 /nfs/dbraw/zinc/49/52/55/1095495255.db2.gz NBIDTMBNSHGEGO-SECBINFHSA-N -1 0 341.230 2.575 20 30 EFEDRM N#CCc1ccsc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601078809 1095495273 /nfs/dbraw/zinc/49/52/73/1095495273.db2.gz BYHIOFJYFJHYED-SFHVURJKSA-N -1 0 340.404 2.683 20 30 EFEDRM N#CCc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001601079103 1095495281 /nfs/dbraw/zinc/49/52/81/1095495281.db2.gz NACVLKKEEPYEHV-ZDUSSCGKSA-N -1 0 326.377 2.718 20 30 EFEDRM N#Cc1c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]c1C1CC1 ZINC001601081732 1095496160 /nfs/dbraw/zinc/49/61/60/1095496160.db2.gz PIJGKDMTMIBCGZ-UHFFFAOYSA-N -1 0 330.731 2.763 20 30 EFEDRM N#Cc1c(F)cc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC001601081276 1095496192 /nfs/dbraw/zinc/49/61/92/1095496192.db2.gz RLEYNVUNCWWVAA-UHFFFAOYSA-N -1 0 331.278 2.856 20 30 EFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001601081728 1095496288 /nfs/dbraw/zinc/49/62/88/1095496288.db2.gz PBXFLERZNZLNJK-UHFFFAOYSA-N -1 0 325.368 2.899 20 30 EFEDRM N#Cc1c(COc2cc(C=O)ccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001601081006 1095496382 /nfs/dbraw/zinc/49/63/82/1095496382.db2.gz WQSCHGBMIJGTSI-UHFFFAOYSA-N -1 0 326.264 2.556 20 30 EFEDRM N#Cc1c(CN2CCC(n3cc(Cl)cn3)CC2)cccc1C(=O)[O-] ZINC001601081380 1095496560 /nfs/dbraw/zinc/49/65/60/1095496560.db2.gz KTLLOASQDBZTKL-UHFFFAOYSA-N -1 0 344.802 2.943 20 30 EFEDRM N#Cc1c(CN2CCOc3cc(F)ccc3C2)cccc1C(=O)[O-] ZINC001601081481 1095496843 /nfs/dbraw/zinc/49/68/43/1095496843.db2.gz HCLXCKSPMPMVGM-UHFFFAOYSA-N -1 0 326.327 2.790 20 30 EFEDRM N#Cc1c(COC(=O)[C@H](O)c2ccccc2Cl)cccc1C(=O)[O-] ZINC001601083836 1095497620 /nfs/dbraw/zinc/49/76/20/1095497620.db2.gz ULWNVCTVEVSAOH-OAHLLOKOSA-N -1 0 345.738 2.687 20 30 EFEDRM N#Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)ccc1Cl ZINC001601085158 1095497649 /nfs/dbraw/zinc/49/76/49/1095497649.db2.gz UZXBNHZKXINSNF-HNNXBMFYSA-N -1 0 342.738 2.704 20 30 EFEDRM N#Cc1c(=O)n(Cc2cccc(C(=O)[O-])c2Cl)cc2c1CCCC2 ZINC001601084637 1095498056 /nfs/dbraw/zinc/49/80/56/1095498056.db2.gz ZKZLVBBVIDZUNE-UHFFFAOYSA-N -1 0 342.782 2.999 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(F)ccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001601083803 1095498220 /nfs/dbraw/zinc/49/82/20/1095498220.db2.gz SOGJNUSXPAUXKM-UHFFFAOYSA-N -1 0 344.254 2.661 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC001601086549 1095499063 /nfs/dbraw/zinc/49/90/63/1095499063.db2.gz WDNZSQJDVRGZHS-OAHLLOKOSA-N -1 0 339.376 2.527 20 30 EFEDRM N#Cc1cc(Cl)ccc1CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001601086646 1095499172 /nfs/dbraw/zinc/49/91/72/1095499172.db2.gz BMAXLFDVGUJZPP-UHFFFAOYSA-N -1 0 343.770 2.638 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(C[C@H]2CCC[C@@H](c3ccccc3)O2)c1=O ZINC001601086952 1095499182 /nfs/dbraw/zinc/49/91/82/1095499182.db2.gz CCZZDLMQFDWKFH-SJORKVTESA-N -1 0 338.363 2.729 20 30 EFEDRM N#Cc1cc(Cl)cc(OS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001601086871 1095499249 /nfs/dbraw/zinc/49/92/49/1095499249.db2.gz MLUCHRUFANBZCF-QWHCGFSZSA-N -1 0 343.788 2.564 20 30 EFEDRM N#Cc1cc(Br)ccc1C(=O)OCCCCC(=O)[O-] ZINC001601085379 1095499369 /nfs/dbraw/zinc/49/93/69/1095499369.db2.gz UYNIANAPLIYTIA-UHFFFAOYSA-N -1 0 326.146 2.732 20 30 EFEDRM N#Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)ccc1Cl ZINC001601085988 1095499495 /nfs/dbraw/zinc/49/94/95/1095499495.db2.gz SKJZVVFZJCHOAI-UHFFFAOYSA-N -1 0 341.754 2.503 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c[nH]1 ZINC001601085560 1095499506 /nfs/dbraw/zinc/49/95/06/1095499506.db2.gz CIFUJQNLLUZSMZ-MRXNPFEDSA-N -1 0 347.374 2.713 20 30 EFEDRM N#Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC001601085940 1095499560 /nfs/dbraw/zinc/49/95/60/1095499560.db2.gz QUTSNFHSBOXJBW-AWEZNQCLSA-N -1 0 346.745 2.949 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cs1 ZINC001601085698 1095499572 /nfs/dbraw/zinc/49/95/72/1095499572.db2.gz IVKFKLFYVGHFCQ-LBPRGKRZSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1cc(C(=O)NCCc2ccccc2C(=O)[O-])ccc1Cl ZINC001601085614 1095499594 /nfs/dbraw/zinc/49/95/94/1095499594.db2.gz FLUZDHMRJDKCJC-UHFFFAOYSA-N -1 0 328.755 2.882 20 30 EFEDRM N#Cc1cc(F)c(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(F)c1 ZINC001601087546 1095500178 /nfs/dbraw/zinc/50/01/78/1095500178.db2.gz GWMASTKECQBUKO-UHFFFAOYSA-N -1 0 348.217 2.662 20 30 EFEDRM N#Cc1cc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC001601087982 1095500823 /nfs/dbraw/zinc/50/08/23/1095500823.db2.gz UCTUBKNQKZFPKP-HNNXBMFYSA-N -1 0 331.274 2.689 20 30 EFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2csc(-c3ccccc3)n2)c1=O ZINC001601088034 1095501300 /nfs/dbraw/zinc/50/13/00/1095501300.db2.gz UUYVDVKIMYZFLT-UHFFFAOYSA-N -1 0 337.360 2.590 20 30 EFEDRM N#Cc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001601089204 1095501330 /nfs/dbraw/zinc/50/13/30/1095501330.db2.gz SSOOCXRKRCIRSJ-OAHLLOKOSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1cc2c(nc1OCc1nc(C(=O)[O-])cs1)CCCCC2 ZINC001601091595 1095502531 /nfs/dbraw/zinc/50/25/31/1095502531.db2.gz SVJDKTDKGHOREO-UHFFFAOYSA-N -1 0 329.381 2.956 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)nc1Cl ZINC001601093509 1095503996 /nfs/dbraw/zinc/50/39/96/1095503996.db2.gz RPVZOZDQOICPIQ-UHFFFAOYSA-N -1 0 337.122 2.606 20 30 EFEDRM N#Cc1ccc(-n2nccc2NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001601092703 1095504242 /nfs/dbraw/zinc/50/42/42/1095504242.db2.gz JWDADNIUEKGPBF-AATRIKPKSA-N -1 0 348.318 2.687 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC001601093607 1095504256 /nfs/dbraw/zinc/50/42/56/1095504256.db2.gz BXPOUYRWMSQCBI-GFCCVEGCSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC001601094109 1095504397 /nfs/dbraw/zinc/50/43/97/1095504397.db2.gz NGOPVUIQZCSPKJ-GFCCVEGCSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1ccc(Br)c(OCc2cccc(C(=O)[O-])n2)c1 ZINC001601092125 1095504585 /nfs/dbraw/zinc/50/45/85/1095504585.db2.gz AEQLBJAIQDCVNB-UHFFFAOYSA-N -1 0 333.141 2.993 20 30 EFEDRM N#Cc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(F)c1 ZINC001601091961 1095504722 /nfs/dbraw/zinc/50/47/22/1095504722.db2.gz ILTXQVFQWJZHEK-CYBMUJFWSA-N -1 0 344.317 2.510 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC001601094946 1095505528 /nfs/dbraw/zinc/50/55/28/1095505528.db2.gz BWXHQDKXPCGXBW-RTBURBONSA-N -1 0 336.391 2.627 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCS[C@H](C(F)(F)F)C2)cc1 ZINC001601095516 1095506453 /nfs/dbraw/zinc/50/64/53/1095506453.db2.gz TVOJYPVUGTXBPW-NWDGAFQWSA-N -1 0 330.331 2.664 20 30 EFEDRM N#Cc1ccc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)o1 ZINC001601094685 1095506695 /nfs/dbraw/zinc/50/66/95/1095506695.db2.gz RQWHQXWHXDYCSN-UHFFFAOYSA-N -1 0 338.275 2.861 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC001601094495 1095506960 /nfs/dbraw/zinc/50/69/60/1095506960.db2.gz XYIAGKDHONCSFP-LBPRGKRZSA-N -1 0 338.241 2.726 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC001601095446 1095507147 /nfs/dbraw/zinc/50/71/47/1095507147.db2.gz QVCHTCUGHWNOEW-AZUAARDMSA-N -1 0 346.390 2.636 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1O ZINC001601094367 1095507179 /nfs/dbraw/zinc/50/71/79/1095507179.db2.gz TZBXEVGMRDMTJN-GOSISDBHSA-N -1 0 346.342 2.973 20 30 EFEDRM N#Cc1ccc([C@H](O)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001601096558 1095508038 /nfs/dbraw/zinc/50/80/38/1095508038.db2.gz XLJLIJYLSCQOJB-HNNXBMFYSA-N -1 0 345.738 2.687 20 30 EFEDRM N#Cc1ccc([C@@H](O)C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001601096148 1095508050 /nfs/dbraw/zinc/50/80/50/1095508050.db2.gz PAYRSZVWOBJRSP-HUUCEWRRSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCOC3(CCCC3)C2)C(=O)[O-])cc1 ZINC001601096551 1095508084 /nfs/dbraw/zinc/50/80/84/1095508084.db2.gz XFDHQRIVWFYLDC-HOTGVXAUSA-N -1 0 343.379 2.967 20 30 EFEDRM N#Cc1ccc([C@H](N[C@H]2c3ccccc3OC[C@H]2F)C(=O)[O-])cc1 ZINC001601096436 1095508255 /nfs/dbraw/zinc/50/82/55/1095508255.db2.gz DODKGYBHBBYPGN-PVAVHDDUSA-N -1 0 326.327 2.745 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2cccc(N3CCOC3=O)c2)C(=O)[O-])cc1 ZINC001601097173 1095508287 /nfs/dbraw/zinc/50/82/87/1095508287.db2.gz ZJOORHPCFLDMOS-MRXNPFEDSA-N -1 0 337.335 2.753 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)[C@@H](O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001601096335 1095508704 /nfs/dbraw/zinc/50/87/04/1095508704.db2.gz SFUNAWAVPUJUPH-GJZGRUSLSA-N -1 0 345.738 2.614 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(F)cc(Cl)c2N)C(=O)[O-])cc1 ZINC001601099232 1095509487 /nfs/dbraw/zinc/50/94/87/1095509487.db2.gz JYLUPOYZQVYJCR-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1ccc(CC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC001601098658 1095509597 /nfs/dbraw/zinc/50/95/97/1095509597.db2.gz UULZXSOUDJPOOQ-MRXNPFEDSA-N -1 0 343.427 2.816 20 30 EFEDRM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001601097922 1095509768 /nfs/dbraw/zinc/50/97/68/1095509768.db2.gz PIJNSFCJQDXYTF-UHFFFAOYSA-N -1 0 348.362 2.973 20 30 EFEDRM N#Cc1ccc([C@@H]2CN(C(=O)c3ccsc3C(=O)[O-])CCO2)cc1 ZINC001601098505 1095509776 /nfs/dbraw/zinc/50/97/76/1095509776.db2.gz NTTRBOHZGUGYTF-AWEZNQCLSA-N -1 0 342.376 2.532 20 30 EFEDRM N#Cc1ccc(C2CCN(c3ccc(C(=O)[O-])nc3C#N)CC2)cc1 ZINC001601098638 1095509840 /nfs/dbraw/zinc/50/98/40/1095509840.db2.gz UCRSIDCBRKPIOR-UHFFFAOYSA-N -1 0 332.363 2.907 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CCC[C@@H]3CC(=O)[O-])CCCC2)cc1 ZINC001601099076 1095510126 /nfs/dbraw/zinc/51/01/26/1095510126.db2.gz IMXJCCTWWAWRAV-MRXNPFEDSA-N -1 0 326.396 2.836 20 30 EFEDRM N#Cc1ccc(CN(C(=O)Cc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001601097805 1095510309 /nfs/dbraw/zinc/51/03/09/1095510309.db2.gz MCCTVZWXSLRPNU-UHFFFAOYSA-N -1 0 334.375 2.990 20 30 EFEDRM N#Cc1ccc(CNC(=O)CSCc2ccc(C(=O)[O-])s2)cc1 ZINC001601099594 1095511315 /nfs/dbraw/zinc/51/13/15/1095511315.db2.gz CEHUXBVJOICSHG-UHFFFAOYSA-N -1 0 346.433 2.868 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3C[C@@H](C(=O)[O-])Cc4ccccc43)CC2)cc1 ZINC001601099604 1095512403 /nfs/dbraw/zinc/51/24/03/1095512403.db2.gz RZHJDLQBYTYHKR-INIZCTEOSA-N -1 0 346.386 2.880 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601103104 1095513124 /nfs/dbraw/zinc/51/31/24/1095513124.db2.gz CRFNQKNZOBGMBY-CYBMUJFWSA-N -1 0 346.692 2.691 20 30 EFEDRM N#Cc1ccc(CN2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC001601100967 1095513415 /nfs/dbraw/zinc/51/34/15/1095513415.db2.gz SPBDQIPESLHVBX-QGZVFWFLSA-N -1 0 341.436 2.563 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001601101569 1095513450 /nfs/dbraw/zinc/51/34/50/1095513450.db2.gz UVKUBFRTZZEROY-UHFFFAOYSA-N -1 0 333.344 2.708 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(F)c1 ZINC001601101673 1095513872 /nfs/dbraw/zinc/51/38/72/1095513872.db2.gz ZNVMBMZUSGBLFB-UHFFFAOYSA-N -1 0 345.305 2.785 20 30 EFEDRM N#Cc1ccc(CSCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601103672 1095514527 /nfs/dbraw/zinc/51/45/27/1095514527.db2.gz VVKOTEJOAVYUAE-KRWDZBQOSA-N -1 0 346.452 2.941 20 30 EFEDRM N#Cc1ccc(N2CCc3[nH]nc(C(=O)[O-])c3C2)cc1C(F)(F)F ZINC001601106096 1095514792 /nfs/dbraw/zinc/51/47/92/1095514792.db2.gz ONFHBAFDIVXCRQ-UHFFFAOYSA-N -1 0 336.273 2.561 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001601103534 1095514820 /nfs/dbraw/zinc/51/48/20/1095514820.db2.gz SRCIPSBIVRDZGD-UHFFFAOYSA-N -1 0 343.722 2.950 20 30 EFEDRM N#Cc1ccc(N2CCSC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001601106466 1095514924 /nfs/dbraw/zinc/51/49/24/1095514924.db2.gz VKBMXSAGCRLVFD-SNVBAGLBSA-N -1 0 330.331 2.831 20 30 EFEDRM N#Cc1ccc(N(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C2CCC2)cc1 ZINC001601105752 1095514958 /nfs/dbraw/zinc/51/49/58/1095514958.db2.gz HHUYQKNZGFADGN-WMLDXEAASA-N -1 0 342.395 2.714 20 30 EFEDRM N#Cc1ccc(N(C(=O)c2csc(C(=O)[O-])n2)C2CCC2)cc1 ZINC001601106652 1095515141 /nfs/dbraw/zinc/51/51/41/1095515141.db2.gz WSMUKMCIKSOLSX-UHFFFAOYSA-N -1 0 327.365 2.912 20 30 EFEDRM N#Cc1ccc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cn1 ZINC001601106186 1095515231 /nfs/dbraw/zinc/51/52/31/1095515231.db2.gz QODGKXWVJVEURW-JKSUJKDBSA-N -1 0 327.771 2.911 20 30 EFEDRM N#Cc1ccc(CSCC(=O)O[C@@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001601103656 1095515546 /nfs/dbraw/zinc/51/55/46/1095515546.db2.gz VCDHKSYUSPXHQY-QKPAOTATSA-N -1 0 345.420 2.834 20 30 EFEDRM N#Cc1ccc(NN=Cc2cccn2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001601107678 1095516057 /nfs/dbraw/zinc/51/60/57/1095516057.db2.gz CVAANMWSYIXBED-UHFFFAOYSA-N -1 0 336.273 2.909 20 30 EFEDRM N#Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001601107186 1095516258 /nfs/dbraw/zinc/51/62/58/1095516258.db2.gz GESXOLNGCPJFCS-MNOVXSKESA-N -1 0 341.289 2.675 20 30 EFEDRM N#Cc1ccc(NC(=S)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001601108130 1095516383 /nfs/dbraw/zinc/51/63/83/1095516383.db2.gz CHDANMJQUZWLQK-FTUHBYGFSA-N -1 0 349.843 2.997 20 30 EFEDRM N#Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001601107498 1095516499 /nfs/dbraw/zinc/51/64/99/1095516499.db2.gz SEQGOEBVIGHDGK-UHFFFAOYSA-N -1 0 336.351 2.851 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(C(=O)[O-])c1 ZINC001601112546 1095518364 /nfs/dbraw/zinc/51/83/64/1095518364.db2.gz BPQRCANIRVABCU-MELADBBJSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001601110238 1095518625 /nfs/dbraw/zinc/51/86/25/1095518625.db2.gz OJWJAFMRTCRRCE-UHFFFAOYSA-N -1 0 332.262 2.552 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(C(=O)[O-])c1 ZINC001601112512 1095518829 /nfs/dbraw/zinc/51/88/29/1095518829.db2.gz ARBGJGMZRIZMMR-HIFRSBDPSA-N -1 0 348.424 2.504 20 30 EFEDRM N#Cc1cccc(-c2nnc(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)o2)c1 ZINC001601115733 1095519398 /nfs/dbraw/zinc/51/93/98/1095519398.db2.gz BSSQLKJLUHYINC-UHFFFAOYSA-N -1 0 336.263 2.882 20 30 EFEDRM N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c1 ZINC001601114053 1095519752 /nfs/dbraw/zinc/51/97/52/1095519752.db2.gz IUNBVWTWVATILH-OAHLLOKOSA-N -1 0 345.286 2.550 20 30 EFEDRM N#Cc1ccc2c(c1)CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)C2 ZINC001601114602 1095519763 /nfs/dbraw/zinc/51/97/63/1095519763.db2.gz DWRNLBIAAZUAOE-UHFFFAOYSA-N -1 0 325.299 2.943 20 30 EFEDRM N#Cc1ccc2c(n1)CCCN2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001601115525 1095519946 /nfs/dbraw/zinc/51/99/46/1095519946.db2.gz PDOPLNSHKYSCLE-UHFFFAOYSA-N -1 0 335.363 2.563 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001601115589 1095520227 /nfs/dbraw/zinc/52/02/27/1095520227.db2.gz YRIXUTLKIGLZNS-CYBMUJFWSA-N -1 0 349.268 2.528 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2c(F)cccc2F)C(=O)[O-])c1 ZINC001601117161 1095520907 /nfs/dbraw/zinc/52/09/07/1095520907.db2.gz GDLZHFQYTIXWBN-MRXNPFEDSA-N -1 0 331.274 2.748 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)Cc2noc3ccccc23)C(=O)[O-])c1 ZINC001601117149 1095521036 /nfs/dbraw/zinc/52/10/36/1095521036.db2.gz FNINLHRMUGMIRQ-QGZVFWFLSA-N -1 0 336.303 2.611 20 30 EFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccccc3C(=O)[O-])n2)c1 ZINC001601115936 1095521319 /nfs/dbraw/zinc/52/13/19/1095521319.db2.gz FKXYYNCQNBLLQW-UHFFFAOYSA-N -1 0 346.346 2.577 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cnc(CC3CC3)s2)C(=O)[O-])c1 ZINC001601117403 1095521332 /nfs/dbraw/zinc/52/13/32/1095521332.db2.gz KKOKECKJXHUFLD-HNNXBMFYSA-N -1 0 342.376 2.950 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001601117547 1095521397 /nfs/dbraw/zinc/52/13/97/1095521397.db2.gz CWEJTZAZHILUAJ-TZIWHRDSSA-N -1 0 348.402 2.858 20 30 EFEDRM N#Cc1cccc(-c2csc(NC(=O)C34CC(C(=O)[O-])(C3)C4)n2)c1 ZINC001601116162 1095521644 /nfs/dbraw/zinc/52/16/44/1095521644.db2.gz MRWGKFLALMHQEL-UHFFFAOYSA-N -1 0 339.376 2.875 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])n2)c1Br ZINC001601116966 1095522225 /nfs/dbraw/zinc/52/22/25/1095522225.db2.gz XFQMLAAWRASRDQ-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1cccc([C@H](Nc2cccc([C@H]3CCC(=O)N3)c2)C(=O)[O-])c1 ZINC001601118360 1095523077 /nfs/dbraw/zinc/52/30/77/1095523077.db2.gz JPUDVZSGWJNZDS-AEFFLSMTSA-N -1 0 335.363 2.747 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)CC2(C(F)(F)F)CC2)C(=O)[O-])c1 ZINC001601118757 1095523437 /nfs/dbraw/zinc/52/34/37/1095523437.db2.gz ZZQZYKRDLQFNBN-GFCCVEGCSA-N -1 0 327.258 2.960 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@H](C3CCCCC3)C2)c1 ZINC001601119090 1095524039 /nfs/dbraw/zinc/52/40/39/1095524039.db2.gz NTEQHUJPBDVMAT-ZWKOTPCHSA-N -1 0 328.412 2.965 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2OCCc3ccccc32)C(=O)[O-])c1 ZINC001601119053 1095524274 /nfs/dbraw/zinc/52/42/74/1095524274.db2.gz UHXPHUFROJWHMW-IAGOWNOFSA-N -1 0 337.331 2.541 20 30 EFEDRM N#Cc1cccc(NC(=O)c2ccoc2CC(=O)[O-])c1Br ZINC001601120823 1095524872 /nfs/dbraw/zinc/52/48/72/1095524872.db2.gz NYUATAXCOSBJGR-UHFFFAOYSA-N -1 0 349.140 2.793 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)c3ccccc3CCC(=O)[O-])CC2)c1 ZINC001601120599 1095525205 /nfs/dbraw/zinc/52/52/05/1095525205.db2.gz ZZZKHHMQQPCAPU-UHFFFAOYSA-N -1 0 334.375 2.995 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001601119620 1095525445 /nfs/dbraw/zinc/52/54/45/1095525445.db2.gz VEVXSVCYWPKZLE-ROUUACIJSA-N -1 0 340.354 2.897 20 30 EFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC001601121292 1095526075 /nfs/dbraw/zinc/52/60/75/1095526075.db2.gz GOIAXEPXPPGCPR-OAHLLOKOSA-N -1 0 330.384 2.573 20 30 EFEDRM N#Cc1cccc(Oc2ccnc(N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)n2)c1 ZINC001601121832 1095526782 /nfs/dbraw/zinc/52/67/82/1095526782.db2.gz ZBQRTASVEVTILA-VBHSOAQHSA-N -1 0 336.351 2.806 20 30 EFEDRM N#Cc1cccc(OCC(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC001601121581 1095526813 /nfs/dbraw/zinc/52/68/13/1095526813.db2.gz NSVURNFAUJWXHZ-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1cccc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])c1F ZINC001601122616 1095527422 /nfs/dbraw/zinc/52/74/22/1095527422.db2.gz PHPZHARVASZTKM-KRWDZBQOSA-N -1 0 326.327 2.718 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001601124522 1095528482 /nfs/dbraw/zinc/52/84/82/1095528482.db2.gz QEPGACQUWKZQQP-UHFFFAOYSA-N -1 0 347.330 2.841 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001601124974 1095528696 /nfs/dbraw/zinc/52/86/96/1095528696.db2.gz AEMVGZTXIGVELJ-DOOKAGJSSA-N -1 0 332.359 2.862 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001601124201 1095528860 /nfs/dbraw/zinc/52/88/60/1095528860.db2.gz GGRMKOCLVQAXTC-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1cccc2c1CCN2C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001601124583 1095528962 /nfs/dbraw/zinc/52/89/62/1095528962.db2.gz UCCXNNOWBJLHQY-UZLBHIALSA-N -1 0 332.359 2.706 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001601124149 1095529143 /nfs/dbraw/zinc/52/91/43/1095529143.db2.gz FAIXIAXWNRTQSE-KSZLIROESA-N -1 0 335.359 2.901 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001601124116 1095529250 /nfs/dbraw/zinc/52/92/50/1095529250.db2.gz CQGWYOGUDPIBEW-UONOGXRCSA-N -1 0 346.346 2.875 20 30 EFEDRM N#Cc1ccccc1NC(=S)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001601125361 1095530241 /nfs/dbraw/zinc/53/02/41/1095530241.db2.gz GOZOKXQEXQOQBL-VNHYZAJKSA-N -1 0 329.425 2.830 20 30 EFEDRM N#Cc1ccnc(N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001601127698 1095530574 /nfs/dbraw/zinc/53/05/74/1095530574.db2.gz VGRCFRQCSPKVPR-UHFFFAOYSA-N -1 0 328.397 2.567 20 30 EFEDRM N#Cc1ccccc1OCCn1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001601127011 1095530905 /nfs/dbraw/zinc/53/09/05/1095530905.db2.gz ZZNHWVBKCPEPCL-UHFFFAOYSA-N -1 0 340.383 2.587 20 30 EFEDRM N#Cc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601129707 1095532250 /nfs/dbraw/zinc/53/22/50/1095532250.db2.gz ORSLNWKYXKGNEC-LLVKDONJSA-N -1 0 338.747 2.968 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001601128834 1095532383 /nfs/dbraw/zinc/53/23/83/1095532383.db2.gz DBMQRUKPGLTECH-OCCSQVGLSA-N -1 0 341.754 2.650 20 30 EFEDRM N#Cc1ccsc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601129561 1095532444 /nfs/dbraw/zinc/53/24/44/1095532444.db2.gz JMEAQFPZSMOFCV-QGZVFWFLSA-N -1 0 341.392 2.880 20 30 EFEDRM N#Cc1cn(Cc2ccc(C(=O)[O-])c(F)c2)c(=O)c2sccc21 ZINC001601129139 1095532910 /nfs/dbraw/zinc/53/29/10/1095532910.db2.gz NNILNXRYPWUIAT-UHFFFAOYSA-N -1 0 328.324 2.820 20 30 EFEDRM N#Cc1cnc(NCc2ccc(OCCCC(=O)[O-])cc2)c(F)c1 ZINC001601130478 1095532968 /nfs/dbraw/zinc/53/29/68/1095532968.db2.gz PAAXUYDZXHWUEB-UHFFFAOYSA-N -1 0 329.331 2.948 20 30 EFEDRM N#Cc1cnc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cn1 ZINC001601130345 1095533112 /nfs/dbraw/zinc/53/31/12/1095533112.db2.gz NOTKNLHFKHVVBM-HNNXBMFYSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(C(=O)[O-])c2)C1=O ZINC001601129577 1095533430 /nfs/dbraw/zinc/53/34/30/1095533430.db2.gz JYDFMFMFHIQWBP-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1cnc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(Cl)c1 ZINC001601129087 1095533491 /nfs/dbraw/zinc/53/34/91/1095533491.db2.gz LFVCSQDIIHDOEM-UHFFFAOYSA-N -1 0 348.771 2.891 20 30 EFEDRM N#Cc1cscc1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001601132232 1095534207 /nfs/dbraw/zinc/53/42/07/1095534207.db2.gz MOAZCDMYOOQGMW-UHFFFAOYSA-N -1 0 334.378 2.704 20 30 EFEDRM N#Cc1cnnc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)c1 ZINC001601131081 1095534247 /nfs/dbraw/zinc/53/42/47/1095534247.db2.gz OQIAKKFHBXOACW-UHFFFAOYSA-N -1 0 337.364 2.782 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCCCOCCc1ccccc1 ZINC001601133415 1095534828 /nfs/dbraw/zinc/53/48/28/1095534828.db2.gz RBIKSAOBQOPRQQ-UHFFFAOYSA-N -1 0 325.368 2.713 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CCC(Oc2ccccc2F)CC1 ZINC001601133594 1095534978 /nfs/dbraw/zinc/53/49/78/1095534978.db2.gz SVWJVTJLIJUWQX-UHFFFAOYSA-N -1 0 341.342 2.838 20 30 EFEDRM N#Cc1cnccc1CN[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601131727 1095535110 /nfs/dbraw/zinc/53/51/10/1095535110.db2.gz NYQXJEFXWBLRKT-AWEZNQCLSA-N -1 0 335.285 2.888 20 30 EFEDRM N#Cc1nc(N2CCOc3cc(C(=O)[O-])ccc3C2)sc1Cl ZINC001601134049 1095535827 /nfs/dbraw/zinc/53/58/27/1095535827.db2.gz FSCOYOGXXGGQHB-UHFFFAOYSA-N -1 0 335.772 2.765 20 30 EFEDRM N#Cc1nnc2ccccc2c1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001601136310 1095535887 /nfs/dbraw/zinc/53/58/87/1095535887.db2.gz NGMNNGBRUVXMCB-OAHLLOKOSA-N -1 0 330.347 2.690 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1Sc1n[nH]c(Cc2ccccc2)n1 ZINC001601134782 1095536006 /nfs/dbraw/zinc/53/60/06/1095536006.db2.gz MZKXEEPTBDOMMY-UHFFFAOYSA-N -1 0 337.364 2.512 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(Cn2ccnc2)c1 ZINC001601134562 1095536198 /nfs/dbraw/zinc/53/61/98/1095536198.db2.gz HGZNXUIFYUIROT-UHFFFAOYSA-N -1 0 333.351 2.508 20 30 EFEDRM N#Cc1sccc1N1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001601135951 1095536443 /nfs/dbraw/zinc/53/64/43/1095536443.db2.gz XOTHELOQOQGPMZ-UHFFFAOYSA-N -1 0 327.409 2.640 20 30 EFEDRM N#Cc1nn(Cc2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001601136024 1095536775 /nfs/dbraw/zinc/53/67/75/1095536775.db2.gz AZUNLHNIPQUKAN-UHFFFAOYSA-N -1 0 328.309 2.624 20 30 EFEDRM O=C([O-])c1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC001601223400 1095563957 /nfs/dbraw/zinc/56/39/57/1095563957.db2.gz GOETXCOTVSAYGF-UHFFFAOYSA-N -1 0 334.253 2.789 20 30 EFEDRM O=C([O-])c1ccc(F)c(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 ZINC001601237792 1095571898 /nfs/dbraw/zinc/57/18/98/1095571898.db2.gz DYDRVXXLICBFFZ-FPYGCLRLSA-N -1 0 331.274 2.884 20 30 EFEDRM O=C([O-])c1ccccc1CON=CC(=O)Nc1ccc(F)cc1F ZINC001601244460 1095574372 /nfs/dbraw/zinc/57/43/72/1095574372.db2.gz BHVCHKMTXHOVEK-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM O=C([O-])Cc1sc(NC(=O)C#CC2CC2)nc1-c1ccccc1 ZINC001602156064 1096095977 /nfs/dbraw/zinc/09/59/77/1096095977.db2.gz IFVWQUPVHMBIFS-UHFFFAOYSA-N -1 0 326.377 2.789 20 30 EFEDRM O=C([O-])c1cc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC001602248612 1096136876 /nfs/dbraw/zinc/13/68/76/1096136876.db2.gz DWGLUHOUPKLOEA-UHFFFAOYSA-N -1 0 339.225 2.600 20 30 EFEDRM O=C([O-])c1cc2ccccc2cc1S(=O)(=O)OCC(F)(F)F ZINC001602306193 1096168950 /nfs/dbraw/zinc/16/89/50/1096168950.db2.gz MKCZGJSMXWVWNC-UHFFFAOYSA-N -1 0 334.271 2.806 20 30 EFEDRM O=C([O-])c1ccc(C=NNc2ncnc3sc4c(c32)CCC4)o1 ZINC001602331156 1096182654 /nfs/dbraw/zinc/18/26/54/1096182654.db2.gz RRXJOEXXPPVFHS-UHFFFAOYSA-N -1 0 328.353 2.917 20 30 EFEDRM O=C([O-])c1ccc(C=NOCCOCC(F)(F)C(F)(F)F)cc1 ZINC001602333399 1096183627 /nfs/dbraw/zinc/18/36/27/1096183627.db2.gz YRHHEDSUGGNYRI-UHFFFAOYSA-N -1 0 341.232 2.950 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cc3c2OCC3)C(=O)O1 ZINC000782880831 1096196912 /nfs/dbraw/zinc/19/69/12/1096196912.db2.gz PAQHHCVNRALFOT-MPNWYJEXSA-N -1 0 332.739 2.503 20 30 EFEDRM O=C([O-])c1ccc(COc2ccc(CN=Nc3nc[nH]n3)cc2)cc1 ZINC001602353553 1096199719 /nfs/dbraw/zinc/19/97/19/1096199719.db2.gz UNHHEGIFDONBSB-UHFFFAOYSA-N -1 0 337.339 2.528 20 30 EFEDRM O=C([O-])c1ccc(COc2ccccc2CN=Nc2nc[nH]n2)cc1 ZINC001602354541 1096200533 /nfs/dbraw/zinc/20/05/33/1096200533.db2.gz FHHUPKGIXCOGEF-UHFFFAOYSA-N -1 0 337.339 2.528 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(CN=Nc2nc(-c3cccnc3)no2)c1 ZINC001602357022 1096201808 /nfs/dbraw/zinc/20/18/08/1096201808.db2.gz HLWKNWNCPVMRHM-UHFFFAOYSA-N -1 0 343.730 2.929 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cnsn3)c2)c1 ZINC001602430133 1096241017 /nfs/dbraw/zinc/24/10/17/1096241017.db2.gz DJQSDACGNKJFOH-UHFFFAOYSA-N -1 0 349.371 2.888 20 30 EFEDRM C#C[C@H](C)N(C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602670199 1096345074 /nfs/dbraw/zinc/34/50/74/1096345074.db2.gz PXEYLHGIZPEOLM-NSHDSACASA-N -1 0 343.408 2.671 20 30 EFEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001602674827 1096345927 /nfs/dbraw/zinc/34/59/27/1096345927.db2.gz WBULDWKQCGTIHY-ZDUSSCGKSA-N -1 0 332.356 2.759 20 30 EFEDRM C#C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001602674287 1096346269 /nfs/dbraw/zinc/34/62/69/1096346269.db2.gz OLLZWWABMCOBPV-NWANDNLSSA-N -1 0 334.803 2.957 20 30 EFEDRM C#C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1F ZINC001602672470 1096346475 /nfs/dbraw/zinc/34/64/75/1096346475.db2.gz DERDSMRRIBEJLL-CQSZACIVSA-N -1 0 346.745 2.606 20 30 EFEDRM C#C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001602675052 1096346840 /nfs/dbraw/zinc/34/68/40/1096346840.db2.gz YLQIJNOAOXHUAI-SMDDNHRTSA-N -1 0 338.766 2.802 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001602683309 1096349472 /nfs/dbraw/zinc/34/94/72/1096349472.db2.gz OECULYSQQWTMFT-KDOFPFPSSA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@@H](CCOC)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001602683190 1096349788 /nfs/dbraw/zinc/34/97/88/1096349788.db2.gz KNYBPCHAMIYJBZ-AWEZNQCLSA-N -1 0 332.400 2.599 20 30 EFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CC(=C)C ZINC001602683310 1096349875 /nfs/dbraw/zinc/34/98/75/1096349875.db2.gz OECULYSQQWTMFT-KSSFIOAISA-N -1 0 330.432 2.672 20 30 EFEDRM C#CC[C@@H](CC)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC(C)C ZINC001602683293 1096350102 /nfs/dbraw/zinc/35/01/02/1096350102.db2.gz NSJUIPOCPYADIW-CQSZACIVSA-N -1 0 332.448 2.752 20 30 EFEDRM C#CC[C@@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001602685296 1096350413 /nfs/dbraw/zinc/35/04/13/1096350413.db2.gz QSKRAXARWYCTCC-OSNAKNMZSA-N -1 0 343.345 2.728 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001602691918 1096350826 /nfs/dbraw/zinc/35/08/26/1096350826.db2.gz DMIZMYBPBKTCTQ-HNNXBMFYSA-N -1 0 334.331 2.701 20 30 EFEDRM C#CC[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001602692645 1096351080 /nfs/dbraw/zinc/35/10/80/1096351080.db2.gz QMODMOPYMYOKJS-CYBMUJFWSA-N -1 0 348.811 2.599 20 30 EFEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001602691919 1096351225 /nfs/dbraw/zinc/35/12/25/1096351225.db2.gz DMIZMYBPBKTCTQ-OAHLLOKOSA-N -1 0 334.331 2.701 20 30 EFEDRM C#CC[C@H](NCc1nc2ccc(Br)cc2s1)C(=O)[O-] ZINC001602695169 1096351233 /nfs/dbraw/zinc/35/12/33/1096351233.db2.gz YITFVDJQPNVEEY-JTQLQIEISA-N -1 0 339.214 2.625 20 30 EFEDRM C#CC[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC001602694056 1096351453 /nfs/dbraw/zinc/35/14/53/1096351453.db2.gz GDFKPBHJXISGSV-QMMMGPOBSA-N -1 0 325.748 2.900 20 30 EFEDRM C#C[C@H](Nc1nnc(C)c(C)c1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC001602690941 1096351464 /nfs/dbraw/zinc/35/14/64/1096351464.db2.gz NABBLYBLLNTVQY-ZDUSSCGKSA-N -1 0 339.790 2.713 20 30 EFEDRM C#CC[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001602693373 1096351773 /nfs/dbraw/zinc/35/17/73/1096351773.db2.gz RGBRZBYNOVSQBI-INIZCTEOSA-N -1 0 327.311 2.824 20 30 EFEDRM C#C[C@@H]1CCCCN1C(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001602691495 1096351789 /nfs/dbraw/zinc/35/17/89/1096351789.db2.gz YTAOVXZJLOPRTD-QGZVFWFLSA-N -1 0 349.438 2.693 20 30 EFEDRM C#C[C@@H](NC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC001602689225 1096351915 /nfs/dbraw/zinc/35/19/15/1096351915.db2.gz PGQQSURPEPUDEV-OAHLLOKOSA-N -1 0 337.770 2.624 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[nH]n2)c(C)c1)c1ccc(F)cc1 ZINC001602689309 1096351990 /nfs/dbraw/zinc/35/19/90/1096351990.db2.gz QPCFSOABHPUANI-MRXNPFEDSA-N -1 0 349.369 2.727 20 30 EFEDRM C#C[C@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC001602688982 1096352006 /nfs/dbraw/zinc/35/20/06/1096352006.db2.gz AHOAHOITYPRUNO-QGZVFWFLSA-N -1 0 342.403 2.577 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001602692788 1096352109 /nfs/dbraw/zinc/35/21/09/1096352109.db2.gz SMOCLMGFOVSSQC-ZDUSSCGKSA-N -1 0 348.811 2.599 20 30 EFEDRM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[nH]n2)c1 ZINC001602689864 1096352145 /nfs/dbraw/zinc/35/21/45/1096352145.db2.gz NLIVVHRYAOTZGF-LBPRGKRZSA-N -1 0 348.366 2.802 20 30 EFEDRM C#CCC1(C(=O)N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)CCCCC1 ZINC001602698841 1096353681 /nfs/dbraw/zinc/35/36/81/1096353681.db2.gz XTNKANGBUXHTNW-UHFFFAOYSA-N -1 0 347.455 2.569 20 30 EFEDRM C#CCC1(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)CCCCC1 ZINC001602698796 1096353798 /nfs/dbraw/zinc/35/37/98/1096353798.db2.gz VXFFQUJFRPBMGP-SFHVURJKSA-N -1 0 328.412 2.862 20 30 EFEDRM C#CCCOc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001602711328 1096354610 /nfs/dbraw/zinc/35/46/10/1096354610.db2.gz DNVMSHSQKMXKBG-UHFFFAOYSA-N -1 0 337.375 2.646 20 30 EFEDRM C#CCCOC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001602707962 1096354742 /nfs/dbraw/zinc/35/47/42/1096354742.db2.gz AOBORHUALUVDOI-LBPRGKRZSA-N -1 0 340.173 2.667 20 30 EFEDRM C#CCCCc1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC(C)C ZINC001602710928 1096354919 /nfs/dbraw/zinc/35/49/19/1096354919.db2.gz VTJDZZWMEQHQLE-GOSISDBHSA-N -1 0 332.448 2.581 20 30 EFEDRM C#CCCN(CCOC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001602710735 1096354952 /nfs/dbraw/zinc/35/49/52/1096354952.db2.gz LMPLCGPKIYYTNP-MRXNPFEDSA-N -1 0 346.427 2.520 20 30 EFEDRM C#CCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001602708537 1096355095 /nfs/dbraw/zinc/35/50/95/1096355095.db2.gz UOFFBYBDNXNCME-UHFFFAOYSA-N -1 0 325.162 2.601 20 30 EFEDRM C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001602710151 1096355135 /nfs/dbraw/zinc/35/51/35/1096355135.db2.gz BVBNKRGNLQYXHP-INIZCTEOSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCCCCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602705255 1096355368 /nfs/dbraw/zinc/35/53/68/1096355368.db2.gz KVXRJJOHCQUJRO-MRXNPFEDSA-N -1 0 344.459 2.725 20 30 EFEDRM C#CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCc2ccccc21 ZINC001602711701 1096355392 /nfs/dbraw/zinc/35/53/92/1096355392.db2.gz PPCCPEVHTJISPL-SOLBZPMBSA-N -1 0 340.423 2.962 20 30 EFEDRM C#CCCCCNC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001602705211 1096355611 /nfs/dbraw/zinc/35/56/11/1096355611.db2.gz JKAMHLZVLBEYRC-GFCCVEGCSA-N -1 0 335.429 2.800 20 30 EFEDRM C#CCCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001602702767 1096355749 /nfs/dbraw/zinc/35/57/49/1096355749.db2.gz IYNQOBIQLGJJDP-UHFFFAOYSA-N -1 0 326.352 2.830 20 30 EFEDRM C#CCCCNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001602705064 1096355796 /nfs/dbraw/zinc/35/57/96/1096355796.db2.gz DVPCXOZEEQYZTG-UHFFFAOYSA-N -1 0 343.408 2.721 20 30 EFEDRM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001602719856 1096356380 /nfs/dbraw/zinc/35/63/80/1096356380.db2.gz WLOZGTPXCPCYCB-UHFFFAOYSA-N -1 0 328.393 2.791 20 30 EFEDRM C#CCN(Cc1cc(OC)c(C(=O)[O-])cc1Br)C(C)C ZINC001602719521 1096356774 /nfs/dbraw/zinc/35/67/74/1096356774.db2.gz OTPAFHZLRASWJC-UHFFFAOYSA-N -1 0 340.217 3.000 20 30 EFEDRM C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001602730361 1096357239 /nfs/dbraw/zinc/35/72/39/1096357239.db2.gz DDPWOLJEDJILHN-UHFFFAOYSA-N -1 0 341.275 2.524 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001602730378 1096357355 /nfs/dbraw/zinc/35/73/55/1096357355.db2.gz FBMXXIRQMUSICS-UHFFFAOYSA-N -1 0 331.274 2.927 20 30 EFEDRM C#CCSCC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001602734513 1096358597 /nfs/dbraw/zinc/35/85/97/1096358597.db2.gz OFIVUVBMVYOCDZ-UHFFFAOYSA-N -1 0 342.376 2.877 20 30 EFEDRM C#CCOc1ccccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001602734213 1096358607 /nfs/dbraw/zinc/35/86/07/1096358607.db2.gz IAVNBXABFXDBPZ-SNVBAGLBSA-N -1 0 345.380 2.736 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001602734056 1096358853 /nfs/dbraw/zinc/35/88/53/1096358853.db2.gz ILZWRIWEPLSXSK-AWEZNQCLSA-N -1 0 348.374 2.993 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001602743065 1096359415 /nfs/dbraw/zinc/35/94/15/1096359415.db2.gz HFJXEILQIRZPPZ-UHFFFAOYSA-N -1 0 339.347 2.565 20 30 EFEDRM C#Cc1cccc(N(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C(C)C)c1 ZINC001602742079 1096360128 /nfs/dbraw/zinc/36/01/28/1096360128.db2.gz CUOMPKPDOZYOFT-DLBZAZTESA-N -1 0 329.396 2.822 20 30 EFEDRM C#Cc1ccccc1CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001602743883 1096360477 /nfs/dbraw/zinc/36/04/77/1096360477.db2.gz XUTJVGNUUWTXFL-UHFFFAOYSA-N -1 0 328.393 2.668 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccccc2OCC)n[nH]1)C(=O)[O-] ZINC001602749310 1096362826 /nfs/dbraw/zinc/36/28/26/1096362826.db2.gz SIJITDOHLIINDL-HNNXBMFYSA-N -1 0 343.383 2.625 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)c1cccc(Nc2nccc(C)n2)c1)C(=O)[O-] ZINC001602754410 1096362839 /nfs/dbraw/zinc/36/28/39/1096362839.db2.gz IYNKBRPHZVXQBL-OAHLLOKOSA-N -1 0 340.383 2.678 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(F)c(Cl)c(N)c1Cl)C(=O)[O-] ZINC001602754266 1096363503 /nfs/dbraw/zinc/36/35/03/1096363503.db2.gz BITNETKAEVVMSS-QMMMGPOBSA-N -1 0 335.162 2.864 20 30 EFEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001602749124 1096363563 /nfs/dbraw/zinc/36/35/63/1096363563.db2.gz CDBJAHBLTIEIFA-LBPRGKRZSA-N -1 0 328.368 2.987 20 30 EFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cccc(O[C@@H](C)CC)c1)C(=O)[O-] ZINC001602757791 1096364899 /nfs/dbraw/zinc/36/48/99/1096364899.db2.gz WCWGOLJEOQNUMF-WFASDCNBSA-N -1 0 341.429 2.562 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001602755277 1096365430 /nfs/dbraw/zinc/36/54/30/1096365430.db2.gz NFOPIPUJSKJNQD-AFNCTOJWSA-N -1 0 349.383 2.784 20 30 EFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCCCCS(C)(=O)=O ZINC001602764787 1096365738 /nfs/dbraw/zinc/36/57/38/1096365738.db2.gz QODNMYXRJVUIIL-UHFFFAOYSA-N -1 0 326.414 2.707 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001602764854 1096365760 /nfs/dbraw/zinc/36/57/60/1096365760.db2.gz USYPVNQOGRKXOT-BBRMVZONSA-N -1 0 348.399 2.500 20 30 EFEDRM C=C(C)Cn1c(-c2sc(C)nc2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602765585 1096366024 /nfs/dbraw/zinc/36/60/24/1096366024.db2.gz DPFSZSMDPASINW-GFCCVEGCSA-N -1 0 347.444 2.505 20 30 EFEDRM C=C(C)Cn1c([C@H](C)C2CCC2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602766328 1096366485 /nfs/dbraw/zinc/36/64/85/1096366485.db2.gz YQMYANNXXCJQPI-UMVBOHGHSA-N -1 0 332.448 2.915 20 30 EFEDRM C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602767579 1096367292 /nfs/dbraw/zinc/36/72/92/1096367292.db2.gz ALPLXDZTLOCZHK-JKSUJKDBSA-N -1 0 346.475 2.990 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@H]2C)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602768749 1096367381 /nfs/dbraw/zinc/36/73/81/1096367381.db2.gz MCMSKYNGLRUTEN-COJSNBRMSA-N -1 0 330.432 2.669 20 30 EFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001602773332 1096367907 /nfs/dbraw/zinc/36/79/07/1096367907.db2.gz VCAHCGZJKHQIRP-TXEJJXNPSA-N -1 0 328.351 2.721 20 30 EFEDRM C=C(C)Cn1c([C@H]2C[C@@H]2C)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001602768752 1096368205 /nfs/dbraw/zinc/36/82/05/1096368205.db2.gz MCMSKYNGLRUTEN-NUXNZHGMSA-N -1 0 330.432 2.669 20 30 EFEDRM C=C[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC001602780420 1096368822 /nfs/dbraw/zinc/36/88/22/1096368822.db2.gz MVFDDMAUSPHKHP-CYBMUJFWSA-N -1 0 325.397 2.514 20 30 EFEDRM C=C[C@@H](C(=O)N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC001602780975 1096369298 /nfs/dbraw/zinc/36/92/98/1096369298.db2.gz VBNLBEFRHVIPSB-SJLPKXTDSA-N -1 0 345.406 2.940 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC001602777813 1096369693 /nfs/dbraw/zinc/36/96/93/1096369693.db2.gz FHOQPHGGVRXALA-CYBMUJFWSA-N -1 0 346.408 2.617 20 30 EFEDRM C=C(CC)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001602774651 1096369878 /nfs/dbraw/zinc/36/98/78/1096369878.db2.gz UETPVLCCSCFAGM-UHFFFAOYSA-N -1 0 329.356 2.786 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC001602785907 1096370395 /nfs/dbraw/zinc/37/03/95/1096370395.db2.gz PDBXLGZHECQNDA-UHFFFAOYSA-N -1 0 330.384 2.591 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001602782756 1096370639 /nfs/dbraw/zinc/37/06/39/1096370639.db2.gz PKVDZUUIIXTKEI-GFCCVEGCSA-N -1 0 332.183 2.564 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001602786191 1096370846 /nfs/dbraw/zinc/37/08/46/1096370846.db2.gz ZACQAQJOMCRPSO-QWHCGFSZSA-N -1 0 338.201 2.842 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC001602785760 1096371009 /nfs/dbraw/zinc/37/10/09/1096371009.db2.gz IKIFMVXPLGQCAN-UHFFFAOYSA-N -1 0 327.340 2.974 20 30 EFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC001602785759 1096371107 /nfs/dbraw/zinc/37/11/07/1096371107.db2.gz IJABBPBHFHJPDN-UHFFFAOYSA-N -1 0 335.310 2.725 20 30 EFEDRM C=C1CCC(CNC(=O)Nc2nnc(CCCC(=O)[O-])s2)CC1 ZINC001602792079 1096371732 /nfs/dbraw/zinc/37/17/32/1096371732.db2.gz LSYOBESSGWWNNR-UHFFFAOYSA-N -1 0 338.433 2.813 20 30 EFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)O[C@H](C)C(=O)[O-])s1 ZINC001602791241 1096372117 /nfs/dbraw/zinc/37/21/17/1096372117.db2.gz GUGFKSHYXKDNRM-MRVPVSSYSA-N -1 0 335.834 2.855 20 30 EFEDRM C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001602807448 1096373576 /nfs/dbraw/zinc/37/35/76/1096373576.db2.gz KTNOIXXMUMIZIQ-UHFFFAOYSA-N -1 0 340.379 2.805 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001602803264 1096373676 /nfs/dbraw/zinc/37/36/76/1096373676.db2.gz JXOWZODGRRAIOB-ZETCQYMHSA-N -1 0 339.812 2.549 20 30 EFEDRM C=C[C@H](OC(=O)c1ccc(NC(=O)OCC)cc1Cl)C(=O)[O-] ZINC001602827997 1096376804 /nfs/dbraw/zinc/37/68/04/1096376804.db2.gz UZDIXSHXSCGQAZ-NSHDSACASA-N -1 0 327.720 2.704 20 30 EFEDRM C=C[C@H](OC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC001602827902 1096377322 /nfs/dbraw/zinc/37/73/22/1096377322.db2.gz UCCIRSFCHQQMDJ-ZDUSSCGKSA-N -1 0 334.372 2.711 20 30 EFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001602828800 1096378021 /nfs/dbraw/zinc/37/80/21/1096378021.db2.gz PVPMPBRXLGIJJI-SNVBAGLBSA-N -1 0 329.805 2.767 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001602828917 1096380204 /nfs/dbraw/zinc/38/02/04/1096380204.db2.gz RUSDBLCRXFDNPP-LBPRGKRZSA-N -1 0 346.408 2.662 20 30 EFEDRM C=CC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001602836586 1096380678 /nfs/dbraw/zinc/38/06/78/1096380678.db2.gz YOTPLPXPEGFDFB-VIFPVBQESA-N -1 0 341.205 2.911 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)Nc1cc(C)nc2nc(C(=O)[O-])nn21 ZINC001602842168 1096382487 /nfs/dbraw/zinc/38/24/87/1096382487.db2.gz FAZUSUFGKSDPLB-CQSZACIVSA-N -1 0 337.383 2.730 20 30 EFEDRM C=CC[C@H](N[C@@H](Cc1cccc2ccccc21)C(=O)OCC)C(=O)[O-] ZINC001602841797 1096382579 /nfs/dbraw/zinc/38/25/79/1096382579.db2.gz GRZGWFQYTSEMAD-ROUUACIJSA-N -1 0 341.407 2.933 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001602845806 1096382784 /nfs/dbraw/zinc/38/27/84/1096382784.db2.gz XEIYKLJVPLOJNH-KXBFYZLASA-N -1 0 345.395 2.501 20 30 EFEDRM C=CC[C@@H](OC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001602845711 1096382918 /nfs/dbraw/zinc/38/29/18/1096382918.db2.gz UMRVUCOKAVAIQU-SECBINFHSA-N -1 0 331.290 2.951 20 30 EFEDRM C=CC[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001602845566 1096383573 /nfs/dbraw/zinc/38/35/73/1096383573.db2.gz QWMHTMCKSUQXSR-SKDRFNHKSA-N -1 0 325.342 2.648 20 30 EFEDRM C=CCC1(NS(=O)(=O)c2cc(OC)ccc2C(=O)[O-])CCCC1 ZINC001602851517 1096384150 /nfs/dbraw/zinc/38/41/50/1096384150.db2.gz PJHGVGAQWASBPH-UHFFFAOYSA-N -1 0 339.413 2.561 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001602855180 1096385388 /nfs/dbraw/zinc/38/53/88/1096385388.db2.gz JGRYWFQCWQPVFN-HZSPNIEDSA-N -1 0 326.462 2.581 20 30 EFEDRM C=CCCC(C)(C)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001602856003 1096385817 /nfs/dbraw/zinc/38/58/17/1096385817.db2.gz NEQFZABIEJVQPH-GFCCVEGCSA-N -1 0 334.420 2.708 20 30 EFEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001602855911 1096386291 /nfs/dbraw/zinc/38/62/91/1096386291.db2.gz IOTRJFXNZYDGBH-INIZCTEOSA-N -1 0 329.396 2.844 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001602857541 1096388051 /nfs/dbraw/zinc/38/80/51/1096388051.db2.gz TTYROBBREMNMOK-ZDUSSCGKSA-N -1 0 339.775 2.666 20 30 EFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001602856780 1096388209 /nfs/dbraw/zinc/38/82/09/1096388209.db2.gz IIAMWQNSZQUYDG-ZDUSSCGKSA-N -1 0 346.427 2.749 20 30 EFEDRM C=CCN(Cc1nccn1C(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602860092 1096388241 /nfs/dbraw/zinc/38/82/41/1096388241.db2.gz UFBIWSQZSBYQDY-UHFFFAOYSA-N -1 0 337.431 2.832 20 30 EFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001602860765 1096388418 /nfs/dbraw/zinc/38/84/18/1096388418.db2.gz PDCJPEWKQILGFB-LLVKDONJSA-N -1 0 327.377 2.643 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001602861024 1096388852 /nfs/dbraw/zinc/38/88/52/1096388852.db2.gz WVKDWDYIKWQSTH-GFCCVEGCSA-N -1 0 330.388 2.987 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)C(=O)[O-] ZINC001602869251 1096389051 /nfs/dbraw/zinc/38/90/51/1096389051.db2.gz AOBVIBXMJWIFBR-OAHLLOKOSA-N -1 0 341.367 2.808 20 30 EFEDRM C=CCCC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001602865705 1096389761 /nfs/dbraw/zinc/38/97/61/1096389761.db2.gz PITRXLDDIJZEIX-IRXDYDNUSA-N -1 0 346.427 2.969 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001602869451 1096389782 /nfs/dbraw/zinc/38/97/82/1096389782.db2.gz BJMPURDWZPBWBI-OAHLLOKOSA-N -1 0 331.347 2.551 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC001602873015 1096390698 /nfs/dbraw/zinc/39/06/98/1096390698.db2.gz OQORZULESHIOKN-SNVBAGLBSA-N -1 0 335.784 2.567 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1ccccc1N=S(C)(C)=O)C(=O)[O-] ZINC001602871571 1096390789 /nfs/dbraw/zinc/39/07/89/1096390789.db2.gz NPCNKXIWDRQNLT-AWEZNQCLSA-N -1 0 338.429 2.585 20 30 EFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001602873675 1096390812 /nfs/dbraw/zinc/39/08/12/1096390812.db2.gz ZVCRHVAPPKITGV-CYBMUJFWSA-N -1 0 349.811 2.708 20 30 EFEDRM C=CCCSCCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001602881124 1096391679 /nfs/dbraw/zinc/39/16/79/1096391679.db2.gz SVJKYLQYOUWYRF-CYBMUJFWSA-N -1 0 328.478 2.828 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[nH]n1 ZINC001602883783 1096392154 /nfs/dbraw/zinc/39/21/54/1096392154.db2.gz JYUKFUJGUOHEQG-OLZOCXBDSA-N -1 0 328.420 2.705 20 30 EFEDRM C=CCCc1ccccc1NC(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001602884591 1096392297 /nfs/dbraw/zinc/39/22/97/1096392297.db2.gz KITIMCMGLQRWQR-UHFFFAOYSA-N -1 0 340.383 2.817 20 30 EFEDRM C=CCN(Cc1noc(CCCC(=O)[O-])n1)Cc1cccc(C#N)c1 ZINC001602894227 1096392994 /nfs/dbraw/zinc/39/29/94/1096392994.db2.gz WYTDUFXEVROBAF-UHFFFAOYSA-N -1 0 340.383 2.537 20 30 EFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001602893545 1096393715 /nfs/dbraw/zinc/39/37/15/1096393715.db2.gz CGYIWZNVFOLTAA-PBHICJAKSA-N -1 0 341.411 2.899 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001602894608 1096394126 /nfs/dbraw/zinc/39/41/26/1096394126.db2.gz NLFFJQRXCJUULZ-UHFFFAOYSA-N -1 0 345.420 2.903 20 30 EFEDRM C=CCNc1nc(-c2cn([C@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001602904879 1096395216 /nfs/dbraw/zinc/39/52/16/1096395216.db2.gz MATFTTOTEWQREY-MNOVXSKESA-N -1 0 333.417 2.815 20 30 EFEDRM C=CCNc1nc(-c2cn(Cc3ccc(C(=O)[O-])o3)nn2)c(C)s1 ZINC001602905050 1096395404 /nfs/dbraw/zinc/39/54/04/1096395404.db2.gz RUTMGTAMIRVEPD-UHFFFAOYSA-N -1 0 345.384 2.647 20 30 EFEDRM C=CCNc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC001602904667 1096395624 /nfs/dbraw/zinc/39/56/24/1096395624.db2.gz IGDPTDBAAWWILN-CQSZACIVSA-N -1 0 343.408 2.565 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(OC(C)C)cc2)o1 ZINC001602911994 1096400166 /nfs/dbraw/zinc/40/01/66/1096400166.db2.gz LTQOLBGMRBIHAO-UHFFFAOYSA-N -1 0 341.375 2.786 20 30 EFEDRM C=CCc1cc(C(=O)NCc2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001602925967 1096400844 /nfs/dbraw/zinc/40/08/44/1096400844.db2.gz JEJXCRAYZMSOJI-UHFFFAOYSA-N -1 0 345.351 2.654 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001602925829 1096400958 /nfs/dbraw/zinc/40/09/58/1096400958.db2.gz BESGDOVRTBZUAK-SMDDNHRTSA-N -1 0 334.368 2.842 20 30 EFEDRM C=CCSCCNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001602925186 1096401076 /nfs/dbraw/zinc/40/10/76/1096401076.db2.gz VRIXURNJCMGKDF-UHFFFAOYSA-N -1 0 329.447 2.546 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(CCF)c1 ZINC001602926642 1096401203 /nfs/dbraw/zinc/40/12/03/1096401203.db2.gz CTVVPLHYXWDBNH-UHFFFAOYSA-N -1 0 348.330 2.507 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001602924932 1096401435 /nfs/dbraw/zinc/40/14/35/1096401435.db2.gz LVKRFXGOGRUWME-UHFFFAOYSA-N -1 0 325.364 2.809 20 30 EFEDRM C=CCn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001602931735 1096402006 /nfs/dbraw/zinc/40/20/06/1096402006.db2.gz AJLWEYNPYWLCCH-VFVRVIDISA-N -1 0 332.448 2.915 20 30 EFEDRM C=CCc1cccc(F)c1OS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001602926767 1096402454 /nfs/dbraw/zinc/40/24/54/1096402454.db2.gz MNMYEBBXUHWPRM-JSGCOSHPSA-N -1 0 342.388 2.906 20 30 EFEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001602932551 1096402557 /nfs/dbraw/zinc/40/25/57/1096402557.db2.gz PJRJLUONQKTBCV-MJBXVCDLSA-N -1 0 348.472 2.579 20 30 EFEDRM C=CCn1c(-c2ncc(C)o2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001602931169 1096402631 /nfs/dbraw/zinc/40/26/31/1096402631.db2.gz NTTMLWIPKFRXFD-UHFFFAOYSA-N -1 0 345.403 2.509 20 30 EFEDRM C=CCn1c(C(F)F)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001602931127 1096402762 /nfs/dbraw/zinc/40/27/62/1096402762.db2.gz MRVGAFCRVXUNEV-UHFFFAOYSA-N -1 0 334.326 2.663 20 30 EFEDRM C=CCn1c(C(C)C)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001602931567 1096402854 /nfs/dbraw/zinc/40/28/54/1096402854.db2.gz YULXQIZMHVNXRI-UHFFFAOYSA-N -1 0 326.400 2.848 20 30 EFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001602930175 1096402905 /nfs/dbraw/zinc/40/29/05/1096402905.db2.gz OKRYWGWZBWVDST-UHFFFAOYSA-N -1 0 348.376 2.890 20 30 EFEDRM C=CCn1c([C@@H](C)CCC#N)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001602930828 1096403019 /nfs/dbraw/zinc/40/30/19/1096403019.db2.gz FZLFLXJXDGMSTC-LSDHHAIUSA-N -1 0 345.447 2.953 20 30 EFEDRM C=CCn1nnnc1S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602940565 1096403736 /nfs/dbraw/zinc/40/37/36/1096403736.db2.gz OFYBJBLQUPUJLO-JTQLQIEISA-N -1 0 344.318 2.796 20 30 EFEDRM C=CCn1c(N2CCC[C@H](CCC(=O)[O-])C2)nnc1C(C)(F)F ZINC001602937262 1096403771 /nfs/dbraw/zinc/40/37/71/1096403771.db2.gz SRTKAMQZXZXJBI-LLVKDONJSA-N -1 0 328.363 2.657 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc21 ZINC001602940543 1096403981 /nfs/dbraw/zinc/40/39/81/1096403981.db2.gz NQJZXCULJFQHJC-CQSZACIVSA-N -1 0 342.399 2.845 20 30 EFEDRM C=CCn1ncc2ccc(NC(=O)N[C@H](CC(=O)[O-])C3CC3)cc21 ZINC001602940583 1096404092 /nfs/dbraw/zinc/40/40/92/1096404092.db2.gz OMJQIFUWJMLOMO-CQSZACIVSA-N -1 0 328.372 2.597 20 30 EFEDRM C=CCn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCC=CO1 ZINC001602936754 1096404185 /nfs/dbraw/zinc/40/41/85/1096404185.db2.gz DVPHCVGYSVHXSB-KKXDTOCCSA-N -1 0 346.431 2.550 20 30 EFEDRM CC#CCCCC(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001602947158 1096405200 /nfs/dbraw/zinc/40/52/00/1096405200.db2.gz OVDQKKGMHDDHIL-UHFFFAOYSA-N -1 0 327.336 2.786 20 30 EFEDRM CC#CCCCC(=O)NC[C@@H](Cc1ccc(OCC)cc1)C(=O)[O-] ZINC001602947351 1096405248 /nfs/dbraw/zinc/40/52/48/1096405248.db2.gz VYGMKGJGKZKGIW-MRXNPFEDSA-N -1 0 331.412 2.638 20 30 EFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(C#N)o2)cc1C(=O)[O-] ZINC001603061998 1096428084 /nfs/dbraw/zinc/42/80/84/1096428084.db2.gz YVJQZYSMVPZFDX-UHFFFAOYSA-N -1 0 347.714 2.714 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)Oc2ccc(C#N)c(C)c2)c(C(=O)[O-])c1C ZINC001603097705 1096440006 /nfs/dbraw/zinc/44/00/06/1096440006.db2.gz KAGXANOKTBOILO-UHFFFAOYSA-N -1 0 340.335 2.552 20 30 EFEDRM CC(=O)c1cc(C#N)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001603099168 1096440771 /nfs/dbraw/zinc/44/07/71/1096440771.db2.gz AIIYVOIHLDKHHV-UZLBHIALSA-N -1 0 348.358 2.958 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001603131655 1096454387 /nfs/dbraw/zinc/45/43/87/1096454387.db2.gz IWRPNGFLTIUVIM-UPJWGTAASA-N -1 0 331.372 2.742 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001603131892 1096454529 /nfs/dbraw/zinc/45/45/29/1096454529.db2.gz NZZDRPQGAKJRKT-DGCLKSJQSA-N -1 0 331.372 2.600 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001603131771 1096454757 /nfs/dbraw/zinc/45/47/57/1096454757.db2.gz KFYCXTWVKSAZAH-SNVBAGLBSA-N -1 0 329.312 2.590 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603182092 1096467942 /nfs/dbraw/zinc/46/79/42/1096467942.db2.gz YBPZZXUORNLHEJ-ACJLOTCBSA-N -1 0 349.390 2.569 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)c1ccccc1 ZINC001603187989 1096468923 /nfs/dbraw/zinc/46/89/23/1096468923.db2.gz RFFOSNIBDIDAEY-DLOVCJGASA-N -1 0 343.305 2.592 20 30 EFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC001603188504 1096469208 /nfs/dbraw/zinc/46/92/08/1096469208.db2.gz ZMAHNZKPEVFSBI-ZBEGNZNMSA-N -1 0 326.327 2.889 20 30 EFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001603188531 1096469213 /nfs/dbraw/zinc/46/92/13/1096469213.db2.gz ZQSYYPXEOREKFS-BZNIZROVSA-N -1 0 326.327 2.889 20 30 EFEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC001603205619 1096472575 /nfs/dbraw/zinc/47/25/75/1096472575.db2.gz LUCYSJIDZATJAX-ZDUSSCGKSA-N -1 0 338.363 2.958 20 30 EFEDRM CC(C)(C#N)CC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603230330 1096478968 /nfs/dbraw/zinc/47/89/68/1096478968.db2.gz SKXAHCFWAWZFBM-LBPRGKRZSA-N -1 0 328.290 2.887 20 30 EFEDRM CC(C)(C#N)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001603230270 1096479149 /nfs/dbraw/zinc/47/91/49/1096479149.db2.gz QZMUDESYGXALJM-UONOGXRCSA-N -1 0 334.803 2.906 20 30 EFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(C#N)cn1)c1ccccc1 ZINC001603247362 1096484560 /nfs/dbraw/zinc/48/45/60/1096484560.db2.gz QWNUSUZBXQWTND-HNNXBMFYSA-N -1 0 338.367 2.927 20 30 EFEDRM CC(C)CC[C@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603278513 1096493088 /nfs/dbraw/zinc/49/30/88/1096493088.db2.gz QPJKXXVTZFMUPP-NEPJUHHUSA-N -1 0 326.408 2.545 20 30 EFEDRM CC(C)(C)C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(F)(F)F ZINC001603328192 1096507125 /nfs/dbraw/zinc/50/71/25/1096507125.db2.gz XKQHHTJLFKGAFT-SNVBAGLBSA-N -1 0 349.353 2.753 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc3c(c2)CCC3)o1 ZINC001603406831 1096521417 /nfs/dbraw/zinc/52/14/17/1096521417.db2.gz CYFZBKYQZJLCRU-UHFFFAOYSA-N -1 0 337.387 2.913 20 30 EFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001603407376 1096522882 /nfs/dbraw/zinc/52/28/82/1096522882.db2.gz VPRISBZJCDFWQS-UHFFFAOYSA-N -1 0 333.302 2.702 20 30 EFEDRM CC(C)(C)c1cc2n(n1)CCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001603532725 1096545945 /nfs/dbraw/zinc/54/59/45/1096545945.db2.gz DZMARMFJWRJRHW-KRWDZBQOSA-N -1 0 338.411 2.694 20 30 EFEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001603591255 1096562681 /nfs/dbraw/zinc/56/26/81/1096562681.db2.gz CCVOBMUJKMZWAX-UHFFFAOYSA-N -1 0 344.820 2.646 20 30 EFEDRM C[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726752 1096602805 /nfs/dbraw/zinc/60/28/05/1096602805.db2.gz ASHXMEOCDAEQMF-ZDUSSCGKSA-N -1 0 346.394 2.500 20 30 EFEDRM CC(C)[C@@H]1C[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001603750159 1096612803 /nfs/dbraw/zinc/61/28/03/1096612803.db2.gz FEZVBDHZYKQQIC-PMPSAXMXSA-N -1 0 331.368 2.678 20 30 EFEDRM CC(C)[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001603750156 1096613382 /nfs/dbraw/zinc/61/33/82/1096613382.db2.gz FEZVBDHZYKQQIC-HRCADAONSA-N -1 0 331.368 2.678 20 30 EFEDRM CC(C)C1CCC(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1 ZINC001603754314 1096614318 /nfs/dbraw/zinc/61/43/18/1096614318.db2.gz VRXBZNJRCPLGSL-UHFFFAOYSA-N -1 0 335.448 2.849 20 30 EFEDRM CC(C)Cn1nccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603866488 1096647914 /nfs/dbraw/zinc/64/79/14/1096647914.db2.gz RHRVDIFYHVFZKY-VMPITWQZSA-N -1 0 328.368 2.899 20 30 EFEDRM C[C@@H]1CCCc2ccccc2[C@@H]1Nc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001603899169 1096663442 /nfs/dbraw/zinc/66/34/42/1096663442.db2.gz LVFDNHHMIMOLGE-BDJLRTHQSA-N -1 0 346.398 2.654 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001603938574 1096675640 /nfs/dbraw/zinc/67/56/40/1096675640.db2.gz SMDBJARZFMELAQ-UHFFFAOYSA-N -1 0 325.324 2.691 20 30 EFEDRM CC(C)c1sc(NC(=O)COc2ccccc2C#N)nc1C(=O)[O-] ZINC001604031127 1096705145 /nfs/dbraw/zinc/70/51/45/1096705145.db2.gz FBNWMIJCRHUBGP-UHFFFAOYSA-N -1 0 345.380 2.854 20 30 EFEDRM CC(C)n1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1Cl ZINC001604043579 1096708509 /nfs/dbraw/zinc/70/85/09/1096708509.db2.gz UEXYIUIKYDLPTB-CYBMUJFWSA-N -1 0 347.758 2.972 20 30 EFEDRM C[C@@H](CC#N)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001604060467 1096715712 /nfs/dbraw/zinc/71/57/12/1096715712.db2.gz MMPDTAZBSPNKLV-LBPRGKRZSA-N -1 0 330.388 2.799 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C#N)c1cccnc1 ZINC001604078696 1096723511 /nfs/dbraw/zinc/72/35/11/1096723511.db2.gz UDWMTTOUFOUAIF-QGZVFWFLSA-N -1 0 342.330 2.604 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001604106439 1096739511 /nfs/dbraw/zinc/73/95/11/1096739511.db2.gz YMNASNPVNXTTRX-JOYOIKCWSA-N -1 0 339.189 2.631 20 30 EFEDRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)ccc1OCC#N ZINC001604113313 1096742530 /nfs/dbraw/zinc/74/25/30/1096742530.db2.gz REQNDJKPCBQRMV-SNVBAGLBSA-N -1 0 325.748 2.786 20 30 EFEDRM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)Nc1ccc(C(=O)[O-])nc1C#N ZINC001604124986 1096744904 /nfs/dbraw/zinc/74/49/04/1096744904.db2.gz HRAKATDTUUUAKO-MNOVXSKESA-N -1 0 348.403 2.755 20 30 EFEDRM C[C@H](CCC#N)c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC1CC1 ZINC001604130888 1096745794 /nfs/dbraw/zinc/74/57/94/1096745794.db2.gz WPSAGUFVPTXYEI-ACJLOTCBSA-N -1 0 345.447 2.786 20 30 EFEDRM C[C@](CNC(=O)Nc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001604179334 1096763422 /nfs/dbraw/zinc/76/34/22/1096763422.db2.gz WHYYHKBMPOVTNB-GOSISDBHSA-N -1 0 341.342 2.861 20 30 EFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001604200670 1096769650 /nfs/dbraw/zinc/76/96/50/1096769650.db2.gz AWXBPZMDBWHJQQ-CYBMUJFWSA-N -1 0 339.347 2.810 20 30 EFEDRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC001604265417 1096790221 /nfs/dbraw/zinc/79/02/21/1096790221.db2.gz PLKMFTQDSBFOGE-ROOHIHILSA-N -1 0 334.375 2.994 20 30 EFEDRM C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001604287265 1096796069 /nfs/dbraw/zinc/79/60/69/1096796069.db2.gz YHMLMBGXJPIKAT-VHSXEESVSA-N -1 0 344.396 2.834 20 30 EFEDRM C[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C#N)cc1 ZINC001604287266 1096796234 /nfs/dbraw/zinc/79/62/34/1096796234.db2.gz YHMLMBGXJPIKAT-ZJUUUORDSA-N -1 0 344.396 2.834 20 30 EFEDRM C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC001604307265 1096800788 /nfs/dbraw/zinc/80/07/88/1096800788.db2.gz MYKGPMFXSRJWRA-JTQLQIEISA-N -1 0 330.365 2.574 20 30 EFEDRM C[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1ncc(C(=O)[O-])s1 ZINC001604305839 1096800955 /nfs/dbraw/zinc/80/09/55/1096800955.db2.gz CMNVFWWUEOLQSN-QMMMGPOBSA-N -1 0 340.364 2.685 20 30 EFEDRM C[C@@](NC(=O)c1ccc(C2(C#N)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001604309597 1096802373 /nfs/dbraw/zinc/80/23/73/1096802373.db2.gz ZJDSYLZLURPJIN-IBGZPJMESA-N -1 0 334.375 2.972 20 30 EFEDRM C[C@H](NC(=O)c1ccc(F)c(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604310269 1096802748 /nfs/dbraw/zinc/80/27/48/1096802748.db2.gz FHAKKROFOJEXGZ-LRDDRELGSA-N -1 0 340.354 2.759 20 30 EFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC001604426888 1096849119 /nfs/dbraw/zinc/84/91/19/1096849119.db2.gz JOEJYJJUWNWDID-LBPRGKRZSA-N -1 0 344.342 2.579 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001604426924 1096850871 /nfs/dbraw/zinc/85/08/71/1096850871.db2.gz KLWRZAKKZVWXSG-IINYFYTJSA-N -1 0 331.349 2.756 20 30 EFEDRM C[C@H](Oc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1F)C(=O)[O-] ZINC001604436031 1096853002 /nfs/dbraw/zinc/85/30/02/1096853002.db2.gz GBEZAXSCBBVJCQ-JTQLQIEISA-N -1 0 337.351 2.691 20 30 EFEDRM C[C@@H](Oc1ccccc1C=NN1C(=S)N=NC1C(C)(C)C)C(=O)[O-] ZINC001604443963 1096858133 /nfs/dbraw/zinc/85/81/33/1096858133.db2.gz UYCLEXNONQRSQQ-SNVBAGLBSA-N -1 0 348.428 2.598 20 30 EFEDRM C[C@H](c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1)C(F)(F)F ZINC001604459921 1096865246 /nfs/dbraw/zinc/86/52/46/1096865246.db2.gz GKJDSYMAXQKEEO-SNVBAGLBSA-N -1 0 328.290 2.793 20 30 EFEDRM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001604468641 1096870622 /nfs/dbraw/zinc/87/06/22/1096870622.db2.gz RVFCDCOTGLFVMR-GFCCVEGCSA-N -1 0 344.392 2.638 20 30 EFEDRM C[C@H](c1cccc(C#N)c1)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001604468585 1096870747 /nfs/dbraw/zinc/87/07/47/1096870747.db2.gz WIOHDQVOUOUYRH-CYBMUJFWSA-N -1 0 337.379 2.888 20 30 EFEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001604480653 1096875378 /nfs/dbraw/zinc/87/53/78/1096875378.db2.gz LIAKEKURNSQGGL-RISCZKNCSA-N -1 0 343.408 2.847 20 30 EFEDRM CCn1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)c2ccccc21 ZINC001604604616 1096913186 /nfs/dbraw/zinc/91/31/86/1096913186.db2.gz IKZMFOCVYJUHTE-UHFFFAOYSA-N -1 0 336.359 2.584 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(Cl)ccc1Cl ZINC001225207870 1096935592 /nfs/dbraw/zinc/93/55/92/1096935592.db2.gz RTARSUMHVOMFMO-JTQLQIEISA-N -1 0 341.212 2.831 20 30 EFEDRM C[C@@H]1CCCC[C@H]1N(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001604723888 1096940886 /nfs/dbraw/zinc/94/08/86/1096940886.db2.gz FLXXWABKDSLKJX-CZUORRHYSA-N -1 0 332.400 2.772 20 30 EFEDRM C[C@@H]1CCc2ccccc2N1CCNc1ccc(C(=O)[O-])nc1C#N ZINC001604762958 1096950507 /nfs/dbraw/zinc/95/05/07/1096950507.db2.gz CAEVMWPCEWNWEO-CYBMUJFWSA-N -1 0 336.395 2.905 20 30 EFEDRM CCC(C#N)(CC)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001604864415 1096972432 /nfs/dbraw/zinc/97/24/32/1096972432.db2.gz FMIQSWFQKLVKCU-LBPRGKRZSA-N -1 0 346.383 2.893 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001604887048 1096974734 /nfs/dbraw/zinc/97/47/34/1096974734.db2.gz BAHLYTNHLUXIJX-HWPZZCPQSA-N -1 0 342.317 2.546 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001604887049 1096975018 /nfs/dbraw/zinc/97/50/18/1096975018.db2.gz BAHLYTNHLUXIJX-MGPLVRAMSA-N -1 0 342.317 2.546 20 30 EFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C#N)c(OC)c1 ZINC001604886932 1096975075 /nfs/dbraw/zinc/97/50/75/1096975075.db2.gz CGZLGAZDEBBWTG-GOSISDBHSA-N -1 0 330.384 2.672 20 30 EFEDRM CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605013057 1097000950 /nfs/dbraw/zinc/00/09/50/1097000950.db2.gz MUJRNVCAJZLADZ-UHFFFAOYSA-N -1 0 345.399 2.502 20 30 EFEDRM CO[C@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CC1 ZINC001605027785 1097004410 /nfs/dbraw/zinc/00/44/10/1097004410.db2.gz CHBKYUBPUKTLJY-NSHDSACASA-N -1 0 333.396 2.725 20 30 EFEDRM CO[C@H]1CCCC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CC1 ZINC001605029298 1097005011 /nfs/dbraw/zinc/00/50/11/1097005011.db2.gz MVTLMJIPDVRZSX-LBPRGKRZSA-N -1 0 347.423 2.800 20 30 EFEDRM CC[C@@](CNC(=O)Cc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001605033193 1097006002 /nfs/dbraw/zinc/00/60/02/1097006002.db2.gz QJSRZPWURQOUAN-FQEVSTJZSA-N -1 0 336.391 2.650 20 30 EFEDRM CC[C@](CNC(=O)c1cccc(F)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001605038912 1097008837 /nfs/dbraw/zinc/00/88/37/1097008837.db2.gz BTMFLTDWZJUWSU-LJQANCHMSA-N -1 0 340.354 2.860 20 30 EFEDRM CC[C@](COC)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001605052692 1097010998 /nfs/dbraw/zinc/01/09/98/1097010998.db2.gz LHRKMRDXYIPBLP-OAHLLOKOSA-N -1 0 329.318 2.526 20 30 EFEDRM CC[C@@](COC)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001605052691 1097011238 /nfs/dbraw/zinc/01/12/38/1097011238.db2.gz LHRKMRDXYIPBLP-HNNXBMFYSA-N -1 0 329.318 2.526 20 30 EFEDRM CC[C@@H](NC(=S)N1CCC(C#N)(C(=O)[O-])CC1)c1cccs1 ZINC001605089417 1097019305 /nfs/dbraw/zinc/01/93/05/1097019305.db2.gz DYOOEYSKFJWTSD-LLVKDONJSA-N -1 0 337.470 2.764 20 30 EFEDRM CCC(NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])(C1CC1)C1CC1 ZINC001605103974 1097022295 /nfs/dbraw/zinc/02/22/95/1097022295.db2.gz QEKDWFHKSCOSHB-UHFFFAOYSA-N -1 0 348.424 2.504 20 30 EFEDRM CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCO1 ZINC001605225853 1097060440 /nfs/dbraw/zinc/06/04/40/1097060440.db2.gz WLWRJQFZKVEYEH-ARFHVFGLSA-N -1 0 331.368 2.822 20 30 EFEDRM CCCCCCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001605267165 1097074519 /nfs/dbraw/zinc/07/45/19/1097074519.db2.gz RJUVHPCSYPERMR-UONOGXRCSA-N -1 0 327.421 2.602 20 30 EFEDRM CCCCCCCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001605266663 1097074585 /nfs/dbraw/zinc/07/45/85/1097074585.db2.gz KIUFKNWPLWFFTM-UHFFFAOYSA-N -1 0 328.434 2.727 20 30 EFEDRM CCCCCCC[C@H](C)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001605266728 1097074613 /nfs/dbraw/zinc/07/46/13/1097074613.db2.gz LMNMWVAMNLZFRK-ZNMIVQPWSA-N -1 0 328.453 2.867 20 30 EFEDRM COc1ccc(CCC(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001605271590 1097075614 /nfs/dbraw/zinc/07/56/14/1097075614.db2.gz OBTAABAIKUPZAQ-UHFFFAOYSA-N -1 0 341.375 2.592 20 30 EFEDRM CCCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H](C)C(=O)[O-] ZINC001605299083 1097087764 /nfs/dbraw/zinc/08/77/64/1097087764.db2.gz KENKMBNHNUYTMS-CQSZACIVSA-N -1 0 332.400 2.819 20 30 EFEDRM CCCN(C(=O)c1ccoc1CC(=O)[O-])c1snc(C)c1C#N ZINC001605302864 1097088890 /nfs/dbraw/zinc/08/88/90/1097088890.db2.gz ZQJNBFPJQDRUAZ-UHFFFAOYSA-N -1 0 333.369 2.600 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(C(=O)[O-])n1 ZINC001605317355 1097092981 /nfs/dbraw/zinc/09/29/81/1097092981.db2.gz JKCLBDXZAUUULR-UHFFFAOYSA-N -1 0 329.381 2.765 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001605317836 1097094751 /nfs/dbraw/zinc/09/47/51/1097094751.db2.gz VPLKNXMTNHIZOQ-SJORKVTESA-N -1 0 344.411 2.709 20 30 EFEDRM CCOC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1C#N ZINC001605556544 1097158351 /nfs/dbraw/zinc/15/83/51/1097158351.db2.gz WLPCXCWFOHHNOC-OAHLLOKOSA-N -1 0 340.339 2.759 20 30 EFEDRM CCOC(=O)c1sc(NC(=O)C[C@H](C)CC(=O)[O-])c(C#N)c1C ZINC001605584454 1097163420 /nfs/dbraw/zinc/16/34/20/1097163420.db2.gz MMFLAOSKAMHNTE-QMMMGPOBSA-N -1 0 338.385 2.544 20 30 EFEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cscc1C#N ZINC001605635981 1097175342 /nfs/dbraw/zinc/17/53/42/1097175342.db2.gz ZVXCOOWZYUPXQZ-UHFFFAOYSA-N -1 0 348.380 2.590 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001605677512 1097191692 /nfs/dbraw/zinc/19/16/92/1097191692.db2.gz ASBXFHCAPDYMIZ-UHFFFAOYSA-N -1 0 328.368 2.931 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001605678000 1097192022 /nfs/dbraw/zinc/19/20/22/1097192022.db2.gz SKAABBXXZRVFKL-UHFFFAOYSA-N -1 0 340.335 2.673 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2ccc(OC)c(C#N)c2)c(C)c1C(=O)[O-] ZINC001605771386 1097220549 /nfs/dbraw/zinc/22/05/49/1097220549.db2.gz XCOFDTBYMZANRH-UHFFFAOYSA-N -1 0 342.351 2.821 20 30 EFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001605785254 1097223778 /nfs/dbraw/zinc/22/37/78/1097223778.db2.gz QJNRNUUOKHGXKZ-UHFFFAOYSA-N -1 0 337.378 2.648 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC001605807973 1097233539 /nfs/dbraw/zinc/23/35/39/1097233539.db2.gz ZDXQIYAQYNUFSX-OAHLLOKOSA-N -1 0 341.363 2.638 20 30 EFEDRM CCc1ccc(C(=O)[O-])c(OS(=O)(=O)c2ccsc2C#N)c1 ZINC001605807994 1097234021 /nfs/dbraw/zinc/23/40/21/1097234021.db2.gz ZZUAXQRWJQXCMY-UHFFFAOYSA-N -1 0 337.378 2.648 20 30 EFEDRM CCc1nnc([C@@H](C)ON=C(C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001605867817 1097259391 /nfs/dbraw/zinc/25/93/91/1097259391.db2.gz GEYQVLKDXIWTJH-LLVKDONJSA-N -1 0 333.344 2.597 20 30 EFEDRM CCc1oc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc1C(=O)[O-] ZINC001605889050 1097266598 /nfs/dbraw/zinc/26/65/98/1097266598.db2.gz AFHZHXYDNFLEBG-UHFFFAOYSA-N -1 0 345.380 2.811 20 30 EFEDRM CN(C(=O)COc1cc(Cl)cc(C#N)c1)c1ccccc1C(=O)[O-] ZINC001605964572 1097287705 /nfs/dbraw/zinc/28/77/05/1097287705.db2.gz AQZURGNHWABIFZ-UHFFFAOYSA-N -1 0 344.754 2.952 20 30 EFEDRM CN(C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@H]1CCC[C@@H]1C#N ZINC001605975272 1097290175 /nfs/dbraw/zinc/29/01/75/1097290175.db2.gz HVULWWZKQXSTOL-KOLCDFICSA-N -1 0 349.412 2.675 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2-c2nn[nH]n2)n1 ZINC001606001404 1097295182 /nfs/dbraw/zinc/29/51/82/1097295182.db2.gz QOAVAASMYTUNBP-FWWRYZNZSA-N -1 0 336.380 2.521 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001606019971 1097299922 /nfs/dbraw/zinc/29/99/22/1097299922.db2.gz PHYVIFGGSYZRER-RKDXNWHRSA-N -1 0 343.313 2.930 20 30 EFEDRM CN(C)c1ccc(NC(=S)NN=C2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001606055330 1097308336 /nfs/dbraw/zinc/30/83/36/1097308336.db2.gz PHSZQVBASQJXKS-NSHDSACASA-N -1 0 334.445 2.670 20 30 EFEDRM CN(C)c1ccc(OC(=O)Cc2ccccc2CC#N)cc1C(=O)[O-] ZINC001606058650 1097309152 /nfs/dbraw/zinc/30/91/52/1097309152.db2.gz HYLPOEGUDDHUJH-UHFFFAOYSA-N -1 0 338.363 2.665 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1C(=O)[O-] ZINC001606134763 1097325603 /nfs/dbraw/zinc/32/56/03/1097325603.db2.gz FUXBDZYMNVNJNY-UHFFFAOYSA-N -1 0 338.363 2.545 20 30 EFEDRM COC(=O)[C@H](C)n1cccc1C=NNc1cccc(C(=O)[O-])c1C ZINC001606322449 1097380192 /nfs/dbraw/zinc/38/01/92/1097380192.db2.gz DGFCJIPDYBRMFK-LBPRGKRZSA-N -1 0 329.356 2.675 20 30 EFEDRM COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(CC#N)CCC(=O)[O-] ZINC001606341678 1097388631 /nfs/dbraw/zinc/38/86/31/1097388631.db2.gz KZAFBKWBXVUDRX-CYBMUJFWSA-N -1 0 345.182 2.508 20 30 EFEDRM N#CC1(Cn2cc(-c3nnn[n-]3)c(=O)c3cc(Cl)ccc32)CCC1 ZINC001606343978 1097389912 /nfs/dbraw/zinc/38/99/12/1097389912.db2.gz VOTVZXZILONMNX-UHFFFAOYSA-N -1 0 340.774 2.529 20 30 EFEDRM COCC1(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001606834875 1097461689 /nfs/dbraw/zinc/46/16/89/1097461689.db2.gz OMXDNSDRCHUQAZ-UHFFFAOYSA-N -1 0 330.380 2.876 20 30 EFEDRM COCCN(CCC#N)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001606884398 1097466584 /nfs/dbraw/zinc/46/65/84/1097466584.db2.gz AAASFSQPFSJQAE-UHFFFAOYSA-N -1 0 333.388 2.902 20 30 EFEDRM COCCOc1ccc(C#N)cc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001606910331 1097470701 /nfs/dbraw/zinc/47/07/01/1097470701.db2.gz KHGACWYMAKEUMT-FNORWQNLSA-N -1 0 342.351 2.886 20 30 EFEDRM COCc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC001606951458 1097478860 /nfs/dbraw/zinc/47/88/60/1097478860.db2.gz FBHRNFOPGYDZSJ-KRWDZBQOSA-N -1 0 326.352 2.951 20 30 EFEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001606962216 1097481812 /nfs/dbraw/zinc/48/18/12/1097481812.db2.gz KFHUMUFXWZUNAX-DAXSKMNVSA-N -1 0 338.298 2.600 20 30 EFEDRM COc1c(C)cnc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001607021560 1097497460 /nfs/dbraw/zinc/49/74/60/1097497460.db2.gz XGMABDNHGMTMSD-KRWDZBQOSA-N -1 0 339.395 2.836 20 30 EFEDRM COc1c(NC(=O)N(C)Cc2cc(C#N)cs2)cccc1C(=O)[O-] ZINC001607029992 1097499352 /nfs/dbraw/zinc/49/93/52/1097499352.db2.gz SCFWHDGYNXLEHK-UHFFFAOYSA-N -1 0 345.380 2.990 20 30 EFEDRM COc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)ccc1OCC#N ZINC001607046085 1097503548 /nfs/dbraw/zinc/50/35/48/1097503548.db2.gz LGRLXIGWQKYPDE-UHFFFAOYSA-N -1 0 337.335 2.849 20 30 EFEDRM COc1cc(C#N)ccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001607064808 1097503937 /nfs/dbraw/zinc/50/39/37/1097503937.db2.gz CBQHGSGINQRGOF-MRVPVSSYSA-N -1 0 346.368 2.604 20 30 EFEDRM COc1cc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])ccc1C#N ZINC001607075389 1097505726 /nfs/dbraw/zinc/50/57/26/1097505726.db2.gz BQIWQHPKJDQLOJ-INIZCTEOSA-N -1 0 336.347 2.531 20 30 EFEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2sccc2CC#N)c1OC ZINC001607103226 1097515620 /nfs/dbraw/zinc/51/56/20/1097515620.db2.gz FWUXCMLOOUECPR-UHFFFAOYSA-N -1 0 346.364 2.782 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC001607121116 1097523008 /nfs/dbraw/zinc/52/30/08/1097523008.db2.gz KYCOCTDZDCYSAE-UHFFFAOYSA-N -1 0 341.323 2.828 20 30 EFEDRM COc1cc(C(C)=NNc2ccc(CC(=O)[O-])cc2)c(OC)cc1O ZINC001607147500 1097543633 /nfs/dbraw/zinc/54/36/33/1097543633.db2.gz SIKVUKLEYANACB-UHFFFAOYSA-N -1 0 344.367 2.873 20 30 EFEDRM COc1cc(CNC(=O)Nc2ccc(C(=O)[O-])s2)ccc1C#N ZINC001607162630 1097547909 /nfs/dbraw/zinc/54/79/09/1097547909.db2.gz ZHVWACWVVMHPPF-UHFFFAOYSA-N -1 0 331.353 2.648 20 30 EFEDRM COc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001607175884 1097551449 /nfs/dbraw/zinc/55/14/49/1097551449.db2.gz FWCNPASYTCDROI-UHFFFAOYSA-N -1 0 342.376 2.996 20 30 EFEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(C(=O)[O-])n1C)C2 ZINC001607193114 1097556937 /nfs/dbraw/zinc/55/69/37/1097556937.db2.gz GQSBAGIKCDNFKR-YRNVUSSQSA-N -1 0 327.336 2.563 20 30 EFEDRM COc1ccc(C2CC2)c(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001607238508 1097570412 /nfs/dbraw/zinc/57/04/12/1097570412.db2.gz KKPRPTCXUUBPBE-UHFFFAOYSA-N -1 0 343.383 2.795 20 30 EFEDRM COc1ccc([N+](=O)[O-])cc1NCc1cccc(C(=O)[O-])c1C#N ZINC001607291411 1097585497 /nfs/dbraw/zinc/58/54/97/1097585497.db2.gz DMTLIXCTUIVPGR-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1sccc1CC#N ZINC001607306337 1097592378 /nfs/dbraw/zinc/59/23/78/1097592378.db2.gz ZEAMMGBENVECCX-UHFFFAOYSA-N -1 0 330.365 2.798 20 30 EFEDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cccc(C#N)c2F)c1 ZINC001607311260 1097595052 /nfs/dbraw/zinc/59/50/52/1097595052.db2.gz ZZQWTMLCVVIJEJ-QGZVFWFLSA-N -1 0 328.343 2.964 20 30 EFEDRM CSC1([C@H](C#N)N(C)C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001607389892 1097616745 /nfs/dbraw/zinc/61/67/45/1097616745.db2.gz LQJBNDKYXNNFQA-AWEZNQCLSA-N -1 0 332.425 2.564 20 30 EFEDRM CSCC(=O)Nc1ccc(Oc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001607393774 1097617638 /nfs/dbraw/zinc/61/76/38/1097617638.db2.gz JBACDGCRTDPHMM-UHFFFAOYSA-N -1 0 343.364 2.745 20 30 EFEDRM CSc1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1C(=O)[O-] ZINC001607409167 1097621859 /nfs/dbraw/zinc/62/18/59/1097621859.db2.gz JRXBQVPUMGWUOR-UHFFFAOYSA-N -1 0 349.412 2.549 20 30 EFEDRM C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001607431829 1097628092 /nfs/dbraw/zinc/62/80/92/1097628092.db2.gz VFUWCCGOYFZJLJ-FVQBIDKESA-N -1 0 329.400 2.784 20 30 EFEDRM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(C#N)cs2)[C@@H]1C(=O)[O-] ZINC001607447197 1097629867 /nfs/dbraw/zinc/62/98/67/1097629867.db2.gz WPXGCOVGLIUBFX-BMIGLBTASA-N -1 0 326.377 2.912 20 30 EFEDRM C[C@H]1CC[C@@](NC(=O)[C@H](C#N)CCc2ccccc2)(C(=O)[O-])CC1 ZINC001607463606 1097633523 /nfs/dbraw/zinc/63/35/23/1097633523.db2.gz MUQCQVBVJDJCHU-QOKNQOGYSA-N -1 0 328.412 2.909 20 30 EFEDRM Cc1[nH]c(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1C(=O)[O-] ZINC001607497982 1097643170 /nfs/dbraw/zinc/64/31/70/1097643170.db2.gz KWIYKRKSJFKDNM-UHFFFAOYSA-N -1 0 342.326 2.807 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001607504032 1097645131 /nfs/dbraw/zinc/64/51/31/1097645131.db2.gz AGSMPZMTKJKMLF-MRXNPFEDSA-N -1 0 327.311 2.859 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCCSCC(=O)[O-] ZINC001607509473 1097645709 /nfs/dbraw/zinc/64/57/09/1097645709.db2.gz VPLBKPPFVDDBRB-UHFFFAOYSA-N -1 0 334.422 2.629 20 30 EFEDRM Cc1c(NC(=O)NCC(C)(C)CC#N)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607543082 1097657482 /nfs/dbraw/zinc/65/74/82/1097657482.db2.gz UGSKLBLSPMBXJP-UHFFFAOYSA-N -1 0 334.332 2.663 20 30 EFEDRM Cc1c(NCCOc2cccc(C#N)c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607549657 1097659045 /nfs/dbraw/zinc/65/90/45/1097659045.db2.gz UBMTVSUXHHEDNU-UHFFFAOYSA-N -1 0 341.323 2.964 20 30 EFEDRM Cc1cc(C#N)nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC001607566309 1097662876 /nfs/dbraw/zinc/66/28/76/1097662876.db2.gz SLTSKITUDCRTOF-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM Cc1cc(C(=O)NCC2(C(=O)[O-])CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001607578305 1097665324 /nfs/dbraw/zinc/66/53/24/1097665324.db2.gz WEMGAIFSRBNHOZ-UHFFFAOYSA-N -1 0 337.379 2.560 20 30 EFEDRM Cc1cc2c[nH]nc2c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001607605057 1097673069 /nfs/dbraw/zinc/67/30/69/1097673069.db2.gz VHKIXJQWTIXJQS-INIZCTEOSA-N -1 0 335.319 2.726 20 30 EFEDRM Cc1cc([C@@H](NC(=O)c2sccc2CC#N)C(=O)[O-])ccc1F ZINC001607613862 1097677728 /nfs/dbraw/zinc/67/77/28/1097677728.db2.gz CHTDIEJNXIDRPT-CYBMUJFWSA-N -1 0 332.356 2.817 20 30 EFEDRM Cc1cc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)ccc1C(=O)[O-] ZINC001607633317 1097683757 /nfs/dbraw/zinc/68/37/57/1097683757.db2.gz KOLHKHIRZCYWPM-ZDUSSCGKSA-N -1 0 346.412 2.697 20 30 EFEDRM Cc1cc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)oc1C(=O)[O-] ZINC001607643957 1097687275 /nfs/dbraw/zinc/68/72/75/1097687275.db2.gz TVAFYTGNWUAYEQ-OAHLLOKOSA-N -1 0 339.351 2.645 20 30 EFEDRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C#N)cc1N(C)C ZINC001607676576 1097696385 /nfs/dbraw/zinc/69/63/85/1097696385.db2.gz FTKHWPXBNQDZND-OLZOCXBDSA-N -1 0 329.400 2.762 20 30 EFEDRM Cc1cc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)nn1CCC#N ZINC001607689637 1097699687 /nfs/dbraw/zinc/69/96/87/1097699687.db2.gz OPCKIJTUUPPXFR-GFCCVEGCSA-N -1 0 341.371 2.937 20 30 EFEDRM Cc1ccc(C#N)cc1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001607724528 1097710347 /nfs/dbraw/zinc/71/03/47/1097710347.db2.gz QPBXFQDAYYIYJW-UHFFFAOYSA-N -1 0 336.413 2.644 20 30 EFEDRM Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)[O-] ZINC001607728931 1097711750 /nfs/dbraw/zinc/71/17/50/1097711750.db2.gz NPIIVUGHXKPDPD-UHFFFAOYSA-N -1 0 349.390 2.527 20 30 EFEDRM Cc1ccc(C[C@@H](SCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-])cc1 ZINC001607775843 1097728664 /nfs/dbraw/zinc/72/86/64/1097728664.db2.gz NLPCWGFIJQSTNT-QAPCUYQASA-N -1 0 348.468 2.778 20 30 EFEDRM Cc1ccc(C[C@H](SCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-])cc1 ZINC001607775841 1097728877 /nfs/dbraw/zinc/72/88/77/1097728877.db2.gz NLPCWGFIJQSTNT-MAUKXSAKSA-N -1 0 348.468 2.778 20 30 EFEDRM Cc1ccc(CS[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1C#N ZINC001607786409 1097733125 /nfs/dbraw/zinc/73/31/25/1097733125.db2.gz UFGIALPBHCFNQM-HNNXBMFYSA-N -1 0 332.425 2.566 20 30 EFEDRM Cc1ccc(OC[C@H](O)COc2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001607812816 1097741016 /nfs/dbraw/zinc/74/10/16/1097741016.db2.gz CVOBAPRGYMCZHB-OAHLLOKOSA-N -1 0 341.363 2.578 20 30 EFEDRM Cc1ccc(OCCCC(=O)N(CC#N)CCC(=O)[O-])c(Cl)c1 ZINC001607813620 1097742258 /nfs/dbraw/zinc/74/22/58/1097742258.db2.gz TWWUFDKDXXLGFI-UHFFFAOYSA-N -1 0 338.791 2.634 20 30 EFEDRM Cc1ccc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])c(C#N)c1 ZINC001607821922 1097742848 /nfs/dbraw/zinc/74/28/48/1097742848.db2.gz CZZAIBRDNPAZHZ-INIZCTEOSA-N -1 0 340.404 2.842 20 30 EFEDRM Cc1cccc([C@H](OC(=O)CC2(C#N)CCOCC2)C(=O)[O-])c1C ZINC001607843541 1097751225 /nfs/dbraw/zinc/75/12/25/1097751225.db2.gz CGPAWFCVBUEELE-INIZCTEOSA-N -1 0 331.368 2.683 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C)c(C#N)c2)C(=O)[O-])c1 ZINC001607850175 1097753628 /nfs/dbraw/zinc/75/36/28/1097753628.db2.gz WVNACLYKHCYCKT-GOSISDBHSA-N -1 0 336.391 2.848 20 30 EFEDRM Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607867636 1097759554 /nfs/dbraw/zinc/75/95/54/1097759554.db2.gz KMQNOERNNIZQCL-INIZCTEOSA-N -1 0 341.411 2.772 20 30 EFEDRM Cc1ccccc1-c1nsc(N2CCC(C#N)(C(=O)[O-])CC2)n1 ZINC001607869975 1097760462 /nfs/dbraw/zinc/76/04/62/1097760462.db2.gz JSDCHGPUTWDNMG-UHFFFAOYSA-N -1 0 328.397 2.708 20 30 EFEDRM Cc1cccnc1C(F)(F)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001607887972 1097768509 /nfs/dbraw/zinc/76/85/09/1097768509.db2.gz KFIKFCZZXQMGSA-ZDUSSCGKSA-N -1 0 346.289 2.723 20 30 EFEDRM Cc1[nH]nc(C(C)C)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001607935689 1097782640 /nfs/dbraw/zinc/78/26/40/1097782640.db2.gz VUFIZDNNHAKTNV-UHFFFAOYSA-N -1 0 327.340 2.768 20 30 EFEDRM Cc1nc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)ccc1C#N ZINC001607945424 1097784322 /nfs/dbraw/zinc/78/43/22/1097784322.db2.gz QNMLPWDKZQJFJY-UHFFFAOYSA-N -1 0 349.346 2.679 20 30 EFEDRM Cc1nc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)ccc1C#N ZINC001607944467 1097784606 /nfs/dbraw/zinc/78/46/06/1097784606.db2.gz UPHXNLZDOVXHEL-UHFFFAOYSA-N -1 0 343.770 2.642 20 30 EFEDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cc(C#N)ccc1Cl ZINC001608007627 1097803597 /nfs/dbraw/zinc/80/35/97/1097803597.db2.gz LXUVEMBMRCIABY-UHFFFAOYSA-N -1 0 346.774 2.752 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001608031789 1097810036 /nfs/dbraw/zinc/81/00/36/1097810036.db2.gz MSSHAELBTZARLI-UHFFFAOYSA-N -1 0 348.742 2.546 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001608031860 1097810518 /nfs/dbraw/zinc/81/05/18/1097810518.db2.gz RIEQWQRQTQDQIF-BBRMVZONSA-N -1 0 330.384 2.955 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001608031913 1097811038 /nfs/dbraw/zinc/81/10/38/1097811038.db2.gz WDBQTOVTYJOAOU-UHFFFAOYSA-N -1 0 326.352 2.967 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCC2(C#N)CCCCC2)cc1C(=O)[O-] ZINC001608044099 1097814792 /nfs/dbraw/zinc/81/47/92/1097814792.db2.gz KTZDBAAXPRSPNB-UHFFFAOYSA-N -1 0 333.388 2.902 20 30 EFEDRM Cc1oc(C=NN2C(=S)N=NC2c2ccccc2)cc1C(=O)[O-] ZINC001608043438 1097814868 /nfs/dbraw/zinc/81/48/68/1097814868.db2.gz UXDYQMDMBGTWSC-UHFFFAOYSA-N -1 0 328.353 2.716 20 30 EFEDRM Cc1sc(C(=O)N(CC#N)CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC001608059579 1097819864 /nfs/dbraw/zinc/81/98/64/1097819864.db2.gz OULJDMSRGNIBHQ-UHFFFAOYSA-N -1 0 332.356 2.913 20 30 EFEDRM Cc1sc(C)c(C(=O)[O-])c1NC(=O)NCc1ccc(C#N)cn1 ZINC001608066325 1097823893 /nfs/dbraw/zinc/82/38/93/1097823893.db2.gz GDPIOFXBAFFPAT-UHFFFAOYSA-N -1 0 330.369 2.652 20 30 EFEDRM Cn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2Br)cn1 ZINC001608097309 1097833899 /nfs/dbraw/zinc/83/38/99/1097833899.db2.gz WHKROESSLGCBDD-SNAWJCMRSA-N -1 0 335.157 2.777 20 30 EFEDRM N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001608170550 1097849322 /nfs/dbraw/zinc/84/93/22/1097849322.db2.gz QSDSHYRUXDOTLW-UKRRQHHQSA-N -1 0 328.393 2.763 20 30 EFEDRM N#CC(C(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cnc2ccccc2n1 ZINC001608170417 1097849468 /nfs/dbraw/zinc/84/94/68/1097849468.db2.gz NYGUXNAHBDOJFE-PIHIASKNSA-N -1 0 335.363 2.841 20 30 EFEDRM N#C[C@H](C(=O)c1ccc(C(=O)[O-])cc1F)c1cnc2ccccc2n1 ZINC001608170547 1097849786 /nfs/dbraw/zinc/84/97/86/1097849786.db2.gz QRIPQHFSQJKWSE-LBPRGKRZSA-N -1 0 335.294 2.957 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc(C(=O)[O-])cc1F)c1cnc2ccccc2n1 ZINC001608170546 1097850037 /nfs/dbraw/zinc/85/00/37/1097850037.db2.gz QRIPQHFSQJKWSE-GFCCVEGCSA-N -1 0 335.294 2.957 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001608171757 1097850422 /nfs/dbraw/zinc/85/04/22/1097850422.db2.gz REFSPEOJBHLTHK-HOTGVXAUSA-N -1 0 326.396 2.787 20 30 EFEDRM N#CC(CCn1cnc(C(=O)[O-])n1)(c1ccccc1)c1ccccc1 ZINC001608173547 1097850446 /nfs/dbraw/zinc/85/04/46/1097850446.db2.gz HPPLKPNVHBESSQ-UHFFFAOYSA-N -1 0 332.363 2.876 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC001608173221 1097850462 /nfs/dbraw/zinc/85/04/62/1097850462.db2.gz DEILAWSXQPPWMJ-HXUWFJFHSA-N -1 0 349.434 2.696 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3c(ccnc3Cl)s2)CC1 ZINC001608172792 1097850662 /nfs/dbraw/zinc/85/06/62/1097850662.db2.gz QGOHIYOHGRTWMW-UHFFFAOYSA-N -1 0 349.799 2.780 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H](CC2CC2)c2ccccc2)CC1 ZINC001608171542 1097850829 /nfs/dbraw/zinc/85/08/29/1097850829.db2.gz OFBYUBXNWYDFGD-MRXNPFEDSA-N -1 0 341.411 2.928 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC001608172409 1097850898 /nfs/dbraw/zinc/85/08/98/1097850898.db2.gz HNBRPALGYWOLFD-UHFFFAOYSA-N -1 0 332.356 2.871 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC001608171101 1097850964 /nfs/dbraw/zinc/85/09/64/1097850964.db2.gz FIHBWVYIIIRCAQ-UHFFFAOYSA-N -1 0 334.803 2.880 20 30 EFEDRM N#CC1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCSCC1 ZINC001608172295 1097851040 /nfs/dbraw/zinc/85/10/40/1097851040.db2.gz RYWZSMPZIPAOPA-UHFFFAOYSA-N -1 0 326.324 2.638 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001608174153 1097851371 /nfs/dbraw/zinc/85/13/71/1097851371.db2.gz JIGIBRBQSWMUOD-ZDUSSCGKSA-N -1 0 343.210 2.717 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC001608174498 1097851578 /nfs/dbraw/zinc/85/15/78/1097851578.db2.gz OOTASEPVKNVXCI-UHFFFAOYSA-N -1 0 346.380 2.893 20 30 EFEDRM N#CC1(CCCC[S@@](=O)Cc2nc(C(=O)[O-])cs2)CCC1 ZINC001608174757 1097851692 /nfs/dbraw/zinc/85/16/92/1097851692.db2.gz BZJGYEPOWOJHKQ-OAQYLSRUSA-N -1 0 326.443 2.954 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2cccc(F)c2Br)CC1 ZINC001608174534 1097851765 /nfs/dbraw/zinc/85/17/65/1097851765.db2.gz PVWAVYDUKNPJHJ-UHFFFAOYSA-N -1 0 341.180 2.779 20 30 EFEDRM N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608173865 1097851836 /nfs/dbraw/zinc/85/18/36/1097851836.db2.gz NKMRUDXDMJSLEA-ZFWWWQNUSA-N -1 0 345.790 2.531 20 30 EFEDRM N#C[C@H](COC(=O)c1csc(C(=O)[O-])n1)Cc1ccc(F)cc1 ZINC001608174212 1097851898 /nfs/dbraw/zinc/85/18/98/1097851898.db2.gz VDSVEBHSHJQZCP-SNVBAGLBSA-N -1 0 334.328 2.520 20 30 EFEDRM N#CC1(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])CCC1 ZINC001608175806 1097851984 /nfs/dbraw/zinc/85/19/84/1097851984.db2.gz OKBBLIKMABOCGZ-UHFFFAOYSA-N -1 0 343.408 2.657 20 30 EFEDRM N#C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cccc(C(F)(F)F)c1 ZINC001608174108 1097851992 /nfs/dbraw/zinc/85/19/92/1097851992.db2.gz SBCXBBNPIAWVOA-VCANKDNSSA-N -1 0 338.285 2.641 20 30 EFEDRM N#CC1(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCCC1 ZINC001608175372 1097852036 /nfs/dbraw/zinc/85/20/36/1097852036.db2.gz WPCXCSYHCBNSDB-UHFFFAOYSA-N -1 0 327.384 2.536 20 30 EFEDRM N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001608174457 1097852340 /nfs/dbraw/zinc/85/23/40/1097852340.db2.gz YYHQKFVQRSQNPY-OAHLLOKOSA-N -1 0 345.301 2.884 20 30 EFEDRM N#CCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC001608179001 1097852610 /nfs/dbraw/zinc/85/26/10/1097852610.db2.gz UKORTTKOYSXIMU-UHFFFAOYSA-N -1 0 339.298 2.802 20 30 EFEDRM N#CC1(c2ccc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001608177080 1097852671 /nfs/dbraw/zinc/85/26/71/1097852671.db2.gz LHHGFNIGOGIWOP-UHFFFAOYSA-N -1 0 334.375 2.912 20 30 EFEDRM N#CCC[C@@H](NC(=O)NCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001608182227 1097852945 /nfs/dbraw/zinc/85/29/45/1097852945.db2.gz XSPBTSSQNSIINO-GFCCVEGCSA-N -1 0 344.396 2.686 20 30 EFEDRM N#CCCCCOC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001608181664 1097853042 /nfs/dbraw/zinc/85/30/42/1097853042.db2.gz PGQBOMJTARHWDI-UHFFFAOYSA-N -1 0 326.146 2.998 20 30 EFEDRM N#CCCCCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001608180013 1097853567 /nfs/dbraw/zinc/85/35/67/1097853567.db2.gz FWRVYBFSHGLPIF-GFCCVEGCSA-N -1 0 343.305 2.981 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001608187352 1097854077 /nfs/dbraw/zinc/85/40/77/1097854077.db2.gz UYVTUQOPPIXBNC-UHFFFAOYSA-N -1 0 332.262 2.818 20 30 EFEDRM N#CCSCC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001608187123 1097854163 /nfs/dbraw/zinc/85/41/63/1097854163.db2.gz OARUSDKWXZDMSV-UHFFFAOYSA-N -1 0 343.364 2.767 20 30 EFEDRM N#CCOc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001608187062 1097854171 /nfs/dbraw/zinc/85/41/71/1097854171.db2.gz LCNOSOJDWCIVTH-CQSZACIVSA-N -1 0 336.347 2.808 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC001608183815 1097854180 /nfs/dbraw/zinc/85/41/80/1097854180.db2.gz MAPITZKTGCPYKP-KRWDZBQOSA-N -1 0 329.400 2.572 20 30 EFEDRM N#CCN(CCC(=O)[O-])Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001608186035 1097854444 /nfs/dbraw/zinc/85/44/44/1097854444.db2.gz AQIAYPHNJLWZLX-UHFFFAOYSA-N -1 0 329.331 2.813 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC001608185267 1097854448 /nfs/dbraw/zinc/85/44/48/1097854448.db2.gz JYOXVZKQWQTIEG-HJWRWDBZSA-N -1 0 342.395 2.848 20 30 EFEDRM N#CCOc1cccc(CC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001608188865 1097854898 /nfs/dbraw/zinc/85/48/98/1097854898.db2.gz PRPLODZQWLTOEL-UHFFFAOYSA-N -1 0 344.411 2.673 20 30 EFEDRM N#CCc1cccc2c1CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC001608189441 1097854924 /nfs/dbraw/zinc/85/49/24/1097854924.db2.gz SFRLOUOFZNTQET-GJZGRUSLSA-N -1 0 326.396 2.528 20 30 EFEDRM N#CCOc1cc(F)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001608188711 1097855384 /nfs/dbraw/zinc/85/53/84/1097855384.db2.gz JYPYCVQPDNCMTJ-ZZXKWVIFSA-N -1 0 330.271 2.671 20 30 EFEDRM N#CCc1cccc2c1CCN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC001608189090 1097855533 /nfs/dbraw/zinc/85/55/33/1097855533.db2.gz AXYIEQNFLCTHPE-UHFFFAOYSA-N -1 0 337.335 2.922 20 30 EFEDRM N#CCOc1ccc(CC(=O)OC[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001608188455 1097855615 /nfs/dbraw/zinc/85/56/15/1097855615.db2.gz FTXKJPAXSJUEFP-ZBFHGGJFSA-N -1 0 331.368 2.566 20 30 EFEDRM N#Cc1c(CSCc2cn(CC3CC3)nn2)cccc1C(=O)[O-] ZINC001608191800 1097855998 /nfs/dbraw/zinc/85/59/98/1097855998.db2.gz DJDVFAIVIZMXBU-UHFFFAOYSA-N -1 0 328.397 2.691 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3c(n2)CCCC3)cccc1C(=O)[O-] ZINC001608190314 1097856036 /nfs/dbraw/zinc/85/60/36/1097856036.db2.gz CYSDTQDKJBQQDQ-UHFFFAOYSA-N -1 0 336.347 2.887 20 30 EFEDRM N#Cc1c(COC(=O)c2ccc3nsnc3c2)cccc1C(=O)[O-] ZINC001608190262 1097856325 /nfs/dbraw/zinc/85/63/25/1097856325.db2.gz BORACEHJXPNIBB-UHFFFAOYSA-N -1 0 339.332 2.618 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001608194213 1097857173 /nfs/dbraw/zinc/85/71/73/1097857173.db2.gz LPAXHEFYOVHXFA-VVHFOWEKSA-N -1 0 348.399 2.556 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)ccn1 ZINC001608193983 1097857228 /nfs/dbraw/zinc/85/72/28/1097857228.db2.gz NLTDVCLIVFSUGE-ZDUSSCGKSA-N -1 0 349.268 2.685 20 30 EFEDRM N#Cc1c(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nc2cc(Cl)ccn21 ZINC001608194481 1097857331 /nfs/dbraw/zinc/85/73/31/1097857331.db2.gz QBGYCICKDNWFBG-WBMJQRKESA-N -1 0 330.775 2.693 20 30 EFEDRM N#Cc1c(Cn2c(=O)cnc3ccc(Cl)cc32)cccc1C(=O)[O-] ZINC001608192150 1097857437 /nfs/dbraw/zinc/85/74/37/1097857437.db2.gz JZXYPKLIUDGOLW-UHFFFAOYSA-N -1 0 339.738 2.668 20 30 EFEDRM N#Cc1cc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cs1 ZINC001608194565 1097857696 /nfs/dbraw/zinc/85/76/96/1097857696.db2.gz ZGDCPQALHGDAIW-VIFPVBQESA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1cc(C(F)(F)F)cc(N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])n1 ZINC001608195576 1097857796 /nfs/dbraw/zinc/85/77/96/1097857796.db2.gz CIEYODJIOMOWFL-SKDRFNHKSA-N -1 0 343.305 2.654 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)c[nH]1 ZINC001608193501 1097857979 /nfs/dbraw/zinc/85/79/79/1097857979.db2.gz ICQDSDNJFJGAMJ-QGZVFWFLSA-N -1 0 333.347 2.985 20 30 EFEDRM N#Cc1c[nH]c2cc(C(=O)N(CC(=O)[O-])C3CCCCC3)ccc12 ZINC001608195548 1097857988 /nfs/dbraw/zinc/85/79/88/1097857988.db2.gz SIXTVPWYAAPSKV-UHFFFAOYSA-N -1 0 325.368 2.899 20 30 EFEDRM N#Cc1cc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cs1 ZINC001608195268 1097857998 /nfs/dbraw/zinc/85/79/98/1097857998.db2.gz LCCMJBMNOWAYFC-UHFFFAOYSA-N -1 0 327.321 2.947 20 30 EFEDRM N#Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])ccn1 ZINC001608194407 1097858062 /nfs/dbraw/zinc/85/80/62/1097858062.db2.gz VBEIOZWPXHKNRM-KSSFIOAISA-N -1 0 349.390 2.646 20 30 EFEDRM N#Cc1cc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)ccc1F ZINC001608197658 1097858518 /nfs/dbraw/zinc/85/85/18/1097858518.db2.gz MCAGVGZLMCHJGK-HNNXBMFYSA-N -1 0 341.342 2.905 20 30 EFEDRM N#Cc1cc(NC(=O)c2c[nH]c(C(=O)[O-])c2)ccc1OC(F)(F)F ZINC001608197722 1097858558 /nfs/dbraw/zinc/85/85/58/1097858558.db2.gz PFXNMMFTBIOSHE-UHFFFAOYSA-N -1 0 339.229 2.735 20 30 EFEDRM N#Cc1cc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(F)cc1F ZINC001608197620 1097858587 /nfs/dbraw/zinc/85/85/87/1097858587.db2.gz JOBZCYFIYOMRQA-CJNGLKHVSA-N -1 0 335.310 2.698 20 30 EFEDRM N#Cc1cc(Cl)c(C(=O)NC2CC(CC(=O)[O-])C2)c(Cl)c1 ZINC001608196416 1097858765 /nfs/dbraw/zinc/85/87/65/1097858765.db2.gz AUQDHTBXUIQMIP-UHFFFAOYSA-N -1 0 327.167 2.848 20 30 EFEDRM N#Cc1cc(Cl)cc(CS[C@H]2CCN(CCC(=O)[O-])C2=O)c1 ZINC001608196843 1097859140 /nfs/dbraw/zinc/85/91/40/1097859140.db2.gz KSHQCFHGMJSICW-ZDUSSCGKSA-N -1 0 338.816 2.520 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)nc1Cl ZINC001608199475 1097859427 /nfs/dbraw/zinc/85/94/27/1097859427.db2.gz IVZZEHVFRUILSQ-UHFFFAOYSA-N -1 0 337.669 2.835 20 30 EFEDRM N#Cc1ccc(C(=O)OCCOc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC001608199294 1097859634 /nfs/dbraw/zinc/85/96/34/1097859634.db2.gz BACNZQLYXZOEQN-YHYXMXQVSA-N -1 0 337.331 2.892 20 30 EFEDRM N#Cc1cc2cccnc2nc1NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001608198746 1097859864 /nfs/dbraw/zinc/85/98/64/1097859864.db2.gz YZULCIDTYJTMNF-OAHLLOKOSA-N -1 0 348.362 2.562 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])s1 ZINC001608200152 1097859932 /nfs/dbraw/zinc/85/99/32/1097859932.db2.gz DTOFDECJVWCTEO-ZDUSSCGKSA-N -1 0 340.360 2.792 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1Cl ZINC001608198816 1097860021 /nfs/dbraw/zinc/86/00/21/1097860021.db2.gz CZGGWUANQCILAM-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)nc1SCc1cc(C(=O)[O-])no1 ZINC001608202356 1097860543 /nfs/dbraw/zinc/86/05/43/1097860543.db2.gz PAGSAXIGJIVCMD-UHFFFAOYSA-N -1 0 329.259 2.951 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])S(=O)(=O)c2ccccc2Cl)cc1 ZINC001608201597 1097860887 /nfs/dbraw/zinc/86/08/87/1097860887.db2.gz FDFNNCOJBBNKQR-AWEZNQCLSA-N -1 0 335.768 2.811 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])S(=O)(=O)c2ccccc2Cl)cc1 ZINC001608201600 1097860967 /nfs/dbraw/zinc/86/09/67/1097860967.db2.gz FDFNNCOJBBNKQR-CQSZACIVSA-N -1 0 335.768 2.811 20 30 EFEDRM N#Cc1ccc([C@H](O)COc2ccccc2SCC(=O)[O-])cc1 ZINC001608202270 1097861236 /nfs/dbraw/zinc/86/12/36/1097861236.db2.gz NRWGJSIOJKLIBJ-CQSZACIVSA-N -1 0 329.377 2.847 20 30 EFEDRM N#Cc1ccc(C2CCN(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)CC2)cc1 ZINC001608204140 1097861532 /nfs/dbraw/zinc/86/15/32/1097861532.db2.gz UQGIDYWNUGRJIU-KRWDZBQOSA-N -1 0 339.395 2.621 20 30 EFEDRM N#Cc1ccc(C2(NCc3nc(C(=O)[O-])cs3)CCOCC2)cc1 ZINC001608204006 1097861672 /nfs/dbraw/zinc/86/16/72/1097861672.db2.gz NYQLKVPPZPEZTG-UHFFFAOYSA-N -1 0 343.408 2.508 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2nc3cccnc3s2)C(=O)[O-])cc1 ZINC001608203783 1097861692 /nfs/dbraw/zinc/86/16/92/1097861692.db2.gz VIPWADBCGVKZJP-GFCCVEGCSA-N -1 0 339.332 2.546 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)C[C@H]2OCc3ccccc32)C(=O)[O-])cc1 ZINC001608203610 1097861705 /nfs/dbraw/zinc/86/17/05/1097861705.db2.gz REVDEBCCTASJOR-AEFFLSMTSA-N -1 0 337.331 2.889 20 30 EFEDRM N#Cc1ccc(C2(C(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])CCCC2)cc1 ZINC001608203746 1097862010 /nfs/dbraw/zinc/86/20/10/1097862010.db2.gz UEQLHBIBLMSZRF-CQSZACIVSA-N -1 0 348.349 2.691 20 30 EFEDRM N#Cc1ccc(N2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC001608206600 1097862897 /nfs/dbraw/zinc/86/28/97/1097862897.db2.gz WMPDBUGHJRNTHV-SFHVURJKSA-N -1 0 339.370 2.645 20 30 EFEDRM N#Cc1ccc(N2CCc3c(F)ccc(C(=O)[O-])c3C2)c([N+](=O)[O-])c1 ZINC001608206617 1097863397 /nfs/dbraw/zinc/86/33/97/1097863397.db2.gz XCQLNHGHRLMCBN-UHFFFAOYSA-N -1 0 341.298 2.866 20 30 EFEDRM N#Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001608206145 1097863420 /nfs/dbraw/zinc/86/34/20/1097863420.db2.gz BYNMKXULESXXOQ-HEHGZKQESA-N -1 0 330.359 2.803 20 30 EFEDRM N#Cc1ccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(F)c1 ZINC001608208760 1097864219 /nfs/dbraw/zinc/86/42/19/1097864219.db2.gz OSMNBVJRQQWPLC-ZDUSSCGKSA-N -1 0 345.355 2.674 20 30 EFEDRM N#Cc1ccc(OCC(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001608209706 1097864271 /nfs/dbraw/zinc/86/42/71/1097864271.db2.gz YVGYBLPZCIHHFP-UHFFFAOYSA-N -1 0 336.347 2.615 20 30 EFEDRM N#Cc1ccc(Oc2cccc(Nc3ncncc3C(=O)[O-])c2)nc1 ZINC001608209724 1097864357 /nfs/dbraw/zinc/86/43/57/1097864357.db2.gz MUGUNWCYGHLRES-UHFFFAOYSA-N -1 0 333.307 2.977 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](CC(=O)[O-])C2CC2)c1 ZINC001608209400 1097864395 /nfs/dbraw/zinc/86/43/95/1097864395.db2.gz PONWJJSISWPQIQ-SNVBAGLBSA-N -1 0 339.298 2.534 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)[C@@]3(C(=O)[O-])C[C@@H]3c3ccccc3)nc2c1 ZINC001608213481 1097865071 /nfs/dbraw/zinc/86/50/71/1097865071.db2.gz NFXMUOFJVKGLCQ-BFUOFWGJSA-N -1 0 346.346 2.632 20 30 EFEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001608214190 1097865469 /nfs/dbraw/zinc/86/54/69/1097865469.db2.gz GWKXDUPWMFFVJP-INIZCTEOSA-N -1 0 336.351 2.851 20 30 EFEDRM N#Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001608214943 1097865862 /nfs/dbraw/zinc/86/58/62/1097865862.db2.gz VGBBXQUAOOQTBS-UHFFFAOYSA-N -1 0 335.363 2.648 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001608215409 1097866190 /nfs/dbraw/zinc/86/61/90/1097866190.db2.gz QRDZDSDAPVLZRI-QGZVFWFLSA-N -1 0 331.331 2.662 20 30 EFEDRM N#Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC001608215048 1097866508 /nfs/dbraw/zinc/86/65/08/1097866508.db2.gz KZHHIKRVHMVOAQ-CQSZACIVSA-N -1 0 329.743 2.552 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H]2CCOc3ccccc32)C(=O)[O-])c1 ZINC001608216798 1097867051 /nfs/dbraw/zinc/86/70/51/1097867051.db2.gz VQFPJPXSSDFVHR-NVXWUHKLSA-N -1 0 337.331 2.793 20 30 EFEDRM N#Cc1cccc(C[NH+]2CCC(Nc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001608217631 1097867411 /nfs/dbraw/zinc/86/74/11/1097867411.db2.gz MGMVJVCWRGVGKC-UHFFFAOYSA-N -1 0 342.424 2.789 20 30 EFEDRM N#Cc1cccc(N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001608217051 1097867607 /nfs/dbraw/zinc/86/76/07/1097867607.db2.gz JMTLGSWFWGLOJB-VHSXEESVSA-N -1 0 343.261 2.556 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001608217967 1097867738 /nfs/dbraw/zinc/86/77/38/1097867738.db2.gz AOSUGHYZPUDHMS-IPMKNSEASA-N -1 0 346.386 2.872 20 30 EFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001608218446 1097868452 /nfs/dbraw/zinc/86/84/52/1097868452.db2.gz OQOFQNIMRWWZAR-CEXWTWQISA-N -1 0 348.402 2.721 20 30 EFEDRM N#Cc1cccc([N+](=O)[O-])c1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001608220455 1097868752 /nfs/dbraw/zinc/86/87/52/1097868752.db2.gz CCJUQPQSIZFOGR-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1ccccc1OCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001608218951 1097868816 /nfs/dbraw/zinc/86/88/16/1097868816.db2.gz CFZARGURTDHNLW-INIZCTEOSA-N -1 0 344.411 2.724 20 30 EFEDRM N#Cc1cn(Cc2ccccc2C(=O)[O-])c2ccc([N+](=O)[O-])cc2c1=O ZINC001608223167 1097869337 /nfs/dbraw/zinc/86/93/37/1097869337.db2.gz OZQHZHWBNPCTLR-UHFFFAOYSA-N -1 0 349.302 2.528 20 30 EFEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC001608223088 1097869352 /nfs/dbraw/zinc/86/93/52/1097869352.db2.gz RQHLYVCLIBPBHM-SECBINFHSA-N -1 0 349.312 2.858 20 30 EFEDRM N#Cc1sc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nc1Cl ZINC001608225460 1097870228 /nfs/dbraw/zinc/87/02/28/1097870228.db2.gz XGPMOBGSDOJIGZ-OQPBUACISA-N -1 0 340.792 2.529 20 30 EFEDRM N#Cc1sc(NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])nc1Cl ZINC001608225029 1097870695 /nfs/dbraw/zinc/87/06/95/1097870695.db2.gz NCGNBBGLHAWDGN-VIFPVBQESA-N -1 0 337.788 2.729 20 30 EFEDRM N#Cc1sccc1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001608225321 1097870866 /nfs/dbraw/zinc/87/08/66/1097870866.db2.gz VGTMONSCACBSQP-SECBINFHSA-N -1 0 347.421 2.794 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1SCCOc1ccc([N+](=O)[O-])cc1 ZINC001608224348 1097870885 /nfs/dbraw/zinc/87/08/85/1097870885.db2.gz PRQPTEOACQGSGD-UHFFFAOYSA-N -1 0 345.336 2.731 20 30 EFEDRM N#Cc1sc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])nc1Cl ZINC001608225027 1097870987 /nfs/dbraw/zinc/87/09/87/1097870987.db2.gz NCGNBBGLHAWDGN-SECBINFHSA-N -1 0 337.788 2.729 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(NC(=O)C2CC2)cc1 ZINC001608224206 1097871024 /nfs/dbraw/zinc/87/10/24/1097871024.db2.gz NEYVQLLNDYHDCS-UHFFFAOYSA-N -1 0 336.351 2.612 20 30 EFEDRM N#Cc1nc(C(=O)[O-])ccc1N1CC(Cc2ccccc2Cl)C1 ZINC001608224353 1097871113 /nfs/dbraw/zinc/87/11/13/1097871113.db2.gz VYPXYMYNLQSFRO-UHFFFAOYSA-N -1 0 327.771 2.984 20 30 EFEDRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)C#Cc1ccccc1)CCC2 ZINC001608277846 1097879057 /nfs/dbraw/zinc/87/90/57/1097879057.db2.gz URZVGLWSULUPBJ-SFHVURJKSA-N -1 0 333.387 2.973 20 30 EFEDRM O=C([O-])[C@H](Cc1ccc(Cl)cc1)OC(=O)C#Cc1ccccc1 ZINC001608277768 1097879275 /nfs/dbraw/zinc/87/92/75/1097879275.db2.gz RFQPEIFHEKLKQY-INIZCTEOSA-N -1 0 328.751 2.931 20 30 EFEDRM O=C([O-])[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC001608284079 1097881643 /nfs/dbraw/zinc/88/16/43/1097881643.db2.gz HMBUAARFGUMBQS-YCABEKBOSA-N -1 0 333.359 2.558 20 30 EFEDRM O=C([O-])c1c(F)cccc1NN=Cc1ccc(C(=O)NC2CC2)cc1 ZINC001608405712 1097913746 /nfs/dbraw/zinc/91/37/46/1097913746.db2.gz ASAZJWGRGAKGQE-UHFFFAOYSA-N -1 0 341.342 2.862 20 30 EFEDRM O=C([O-])[C@@H]1CC(F)(F)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001608802012 1098026404 /nfs/dbraw/zinc/02/64/04/1098026404.db2.gz RAVWTSRAVNNQHF-LBPRGKRZSA-N -1 0 349.255 2.731 20 30 EFEDRM O=C([O-])c1cc(/C=C\C(=O)c2cc(Br)ncc2F)c[nH]1 ZINC001608841531 1098040219 /nfs/dbraw/zinc/04/02/19/1098040219.db2.gz XODPTLJSSORNMS-UPHRSURJSA-N -1 0 339.120 2.906 20 30 EFEDRM O=C([O-])c1ccc(COc2ccc(C=NN3CCOCC3)cc2)cc1 ZINC001608890240 1098061179 /nfs/dbraw/zinc/06/11/79/1098061179.db2.gz XOYJXIXHDGCYHN-UHFFFAOYSA-N -1 0 340.379 2.630 20 30 EFEDRM O=C([O-])c1ccc(Cl)c(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC001609032013 1098117863 /nfs/dbraw/zinc/11/78/63/1098117863.db2.gz TXQPTQBUSWUFOL-UHFFFAOYSA-N -1 0 335.787 2.876 20 30 EFEDRM C#C[C@H](NC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC001609054950 1098123135 /nfs/dbraw/zinc/12/31/35/1098123135.db2.gz SPRUTMLBWKRFLW-KRWDZBQOSA-N -1 0 343.427 2.629 20 30 EFEDRM C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001609054787 1098123144 /nfs/dbraw/zinc/12/31/44/1098123144.db2.gz REALQLKOHGVCFP-VXGBXAGGSA-N -1 0 335.429 2.798 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001609076326 1098133793 /nfs/dbraw/zinc/13/37/93/1098133793.db2.gz HWOJHZYMJUOYMJ-SFHVURJKSA-N -1 0 336.391 2.819 20 30 EFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001609076311 1098134178 /nfs/dbraw/zinc/13/41/78/1098134178.db2.gz HPKVYQZOPAVHDS-INIZCTEOSA-N -1 0 328.412 2.565 20 30 EFEDRM C#CC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001609089039 1098138755 /nfs/dbraw/zinc/13/87/55/1098138755.db2.gz BUQZJHRRLYIXMT-INIZCTEOSA-N -1 0 349.452 2.706 20 30 EFEDRM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(C#N)cc1 ZINC001609094971 1098142757 /nfs/dbraw/zinc/14/27/57/1098142757.db2.gz LMJRPFWMGCELLU-UHFFFAOYSA-N -1 0 336.355 2.634 20 30 EFEDRM C#CCCOc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC001609137285 1098163195 /nfs/dbraw/zinc/16/31/95/1098163195.db2.gz JGLZJUIQRFOPQW-LJQANCHMSA-N -1 0 349.386 2.740 20 30 EFEDRM C#CCOc1ccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001609167551 1098179939 /nfs/dbraw/zinc/17/99/39/1098179939.db2.gz HLRCMHVYXVFKPW-UHFFFAOYSA-N -1 0 328.324 2.620 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609167550 1098180077 /nfs/dbraw/zinc/18/00/77/1098180077.db2.gz HKCYFYQOOIRYHW-QGZVFWFLSA-N -1 0 334.347 2.556 20 30 EFEDRM C=C(C)CCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001609226818 1098213355 /nfs/dbraw/zinc/21/33/55/1098213355.db2.gz XEWQMMIWJQYHGT-AWEZNQCLSA-N -1 0 331.416 2.571 20 30 EFEDRM C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001609257675 1098228072 /nfs/dbraw/zinc/22/80/72/1098228072.db2.gz LEOJULCWUHTPGY-AWEZNQCLSA-N -1 0 341.415 2.526 20 30 EFEDRM C=C(CNC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC001609259330 1098228939 /nfs/dbraw/zinc/22/89/39/1098228939.db2.gz JBGJAPRMNMKSBU-UHFFFAOYSA-N -1 0 331.397 2.995 20 30 EFEDRM C=C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)[O-] ZINC001609287302 1098239362 /nfs/dbraw/zinc/23/93/62/1098239362.db2.gz LADQISRKQBCJMY-LLVKDONJSA-N -1 0 334.357 2.605 20 30 EFEDRM C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001609287056 1098239708 /nfs/dbraw/zinc/23/97/08/1098239708.db2.gz CRVHIHXIBCSYAM-LLVKDONJSA-N -1 0 336.775 2.544 20 30 EFEDRM C=CC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001609290630 1098239846 /nfs/dbraw/zinc/23/98/46/1098239846.db2.gz QPVAHEVMWLQSTA-ZETCQYMHSA-N -1 0 345.182 2.711 20 30 EFEDRM C=CCCOCC(=O)OCc1c(Br)cccc1C(=O)[O-] ZINC001609340970 1098254335 /nfs/dbraw/zinc/25/43/35/1098254335.db2.gz MNZNQMDGURFVCZ-UHFFFAOYSA-N -1 0 343.173 2.783 20 30 EFEDRM C=CCN1C(=O)N[C@@H](c2ncc(C(F)(F)F)s2)C(C(=O)[O-])=C1C ZINC001609373476 1098273378 /nfs/dbraw/zinc/27/33/78/1098273378.db2.gz BZQKRNUKBHFVMM-SECBINFHSA-N -1 0 347.318 2.773 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609432245 1098318012 /nfs/dbraw/zinc/31/80/12/1098318012.db2.gz KLHLOHJAYSWMOY-AWEZNQCLSA-N -1 0 339.819 2.681 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001609442799 1098325673 /nfs/dbraw/zinc/32/56/73/1098325673.db2.gz GHJDATRXSWBLNE-CYBMUJFWSA-N -1 0 349.770 2.986 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2cccs2)nc1C)C(=O)[O-] ZINC001609443278 1098326517 /nfs/dbraw/zinc/32/65/17/1098326517.db2.gz YEDMHUMVEJAHKC-CQSZACIVSA-N -1 0 346.408 2.504 20 30 EFEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc3nc(C)sc3c2)o1 ZINC001609446311 1098327725 /nfs/dbraw/zinc/32/77/25/1098327725.db2.gz WYKWOGNCTGSYQD-UHFFFAOYSA-N -1 0 340.372 2.527 20 30 EFEDRM C=CCOc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC001609459974 1098336595 /nfs/dbraw/zinc/33/65/95/1098336595.db2.gz BCSJBFMKNBUNPE-LBPRGKRZSA-N -1 0 333.384 2.728 20 30 EFEDRM C=CCn1c(C2CCC2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001609470482 1098342458 /nfs/dbraw/zinc/34/24/58/1098342458.db2.gz VWXGKNCPYUCTLJ-UHFFFAOYSA-N -1 0 338.411 2.993 20 30 EFEDRM C=CCn1c(SCCCC(=O)C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC001609485220 1098351631 /nfs/dbraw/zinc/35/16/31/1098351631.db2.gz HCSMUDCEEQTYSQ-UHFFFAOYSA-N -1 0 349.387 2.796 20 30 EFEDRM C=CCn1c(=O)[nH]nc1S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609485024 1098352645 /nfs/dbraw/zinc/35/26/45/1098352645.db2.gz BTJMZAGQKVIXFR-LLVKDONJSA-N -1 0 339.804 2.611 20 30 EFEDRM CC#CCCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001609488618 1098354132 /nfs/dbraw/zinc/35/41/32/1098354132.db2.gz GHVRXIKPWSQGJM-UHFFFAOYSA-N -1 0 343.408 2.972 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(Cl)ccc3O)C2)C1=O ZINC001269685915 1098359506 /nfs/dbraw/zinc/35/95/06/1098359506.db2.gz GRMYMCGURGXCLG-GOSISDBHSA-N -1 0 348.830 2.686 20 30 EFEDRM C/C(=C\CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001609503201 1098364581 /nfs/dbraw/zinc/36/45/81/1098364581.db2.gz GHRHMGJBNJWKAD-ZUFYJRLNSA-N -1 0 333.819 2.553 20 30 EFEDRM O=C([O-])c1cc(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)cs1 ZINC001609517844 1098365473 /nfs/dbraw/zinc/36/54/73/1098365473.db2.gz REGBIRAACVVUDD-SNAWJCMRSA-N -1 0 344.327 2.662 20 30 EFEDRM CC(=NNc1cc(Cl)cc(Cl)c1)c1cn(CC(=O)[O-])nn1 ZINC001609556965 1098379930 /nfs/dbraw/zinc/37/99/30/1098379930.db2.gz XFKWHNUGVWNOSH-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC001609649489 1098416282 /nfs/dbraw/zinc/41/62/82/1098416282.db2.gz HYSLMFUYNWXXEN-INIZCTEOSA-N -1 0 340.423 2.939 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@]2(C#N)CC23CCCC3)n1 ZINC001609652700 1098417074 /nfs/dbraw/zinc/41/70/74/1098417074.db2.gz VCUVAVSZDZMFQL-MRXNPFEDSA-N -1 0 333.413 2.918 20 30 EFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(F)c2C#N)n1 ZINC001609652555 1098417146 /nfs/dbraw/zinc/41/71/46/1098417146.db2.gz YTJNTPBPFGKUNK-UHFFFAOYSA-N -1 0 333.344 2.768 20 30 EFEDRM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc1C#N ZINC001609669047 1098421101 /nfs/dbraw/zinc/42/11/01/1098421101.db2.gz IYLPGBXJXZVXFN-UHFFFAOYSA-N -1 0 333.388 2.968 20 30 EFEDRM CC(C)(CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1F ZINC001609675635 1098423547 /nfs/dbraw/zinc/42/35/47/1098423547.db2.gz BUMSBLKINJQQFZ-UHFFFAOYSA-N -1 0 347.390 2.503 20 30 EFEDRM CC(C)C[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001609691843 1098428791 /nfs/dbraw/zinc/42/87/91/1098428791.db2.gz VOKOHLHMLNPGJC-GOSISDBHSA-N -1 0 340.383 2.629 20 30 EFEDRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609695939 1098430519 /nfs/dbraw/zinc/43/05/19/1098430519.db2.gz MCCUUZSTDOWTMS-GJZGRUSLSA-N -1 0 335.448 2.991 20 30 EFEDRM CC(C)Oc1ncccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001609714937 1098435510 /nfs/dbraw/zinc/43/55/10/1098435510.db2.gz FOUAZNSNSFTRET-OAHLLOKOSA-N -1 0 340.335 2.723 20 30 EFEDRM CC(C)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001609719428 1098436137 /nfs/dbraw/zinc/43/61/37/1098436137.db2.gz FTJPIKHOANYIHQ-UHFFFAOYSA-N -1 0 331.372 2.909 20 30 EFEDRM CC(C)c1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001609719110 1098436414 /nfs/dbraw/zinc/43/64/14/1098436414.db2.gz UJGRMOIXOYDCBP-UHFFFAOYSA-N -1 0 345.355 2.549 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001609720760 1098437061 /nfs/dbraw/zinc/43/70/61/1098437061.db2.gz KDTWBKNEWSQNOT-CQSZACIVSA-N -1 0 343.427 2.827 20 30 EFEDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC001609729455 1098440424 /nfs/dbraw/zinc/44/04/24/1098440424.db2.gz UMLOPZYFQNDNOG-MRXNPFEDSA-N -1 0 332.356 2.879 20 30 EFEDRM C[C@H](CCN=Nc1nc(-c2ccccn2)nc2c1CCC2)C(=O)[O-] ZINC001609738024 1098442625 /nfs/dbraw/zinc/44/26/25/1098442625.db2.gz PZOBRNJKZXPFCE-LLVKDONJSA-N -1 0 325.372 2.536 20 30 EFEDRM C[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)Sc1ccccc1 ZINC001609745366 1098444530 /nfs/dbraw/zinc/44/45/30/1098444530.db2.gz SKGMGALQWJKLCT-CYBMUJFWSA-N -1 0 347.440 2.567 20 30 EFEDRM C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609767296 1098450884 /nfs/dbraw/zinc/45/08/84/1098450884.db2.gz BASZDXPOCNCCMD-LBPRGKRZSA-N -1 0 339.351 2.904 20 30 EFEDRM C[C@H](Nc1ccc(CC#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001609787245 1098458180 /nfs/dbraw/zinc/45/81/80/1098458180.db2.gz URILEBUVSJMNDU-ZDUSSCGKSA-N -1 0 337.379 2.568 20 30 EFEDRM C[C@H](OC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)C(C)(C)C(=O)[O-] ZINC001609791148 1098459053 /nfs/dbraw/zinc/45/90/53/1098459053.db2.gz ZAPQNPOHXIEAJW-JTQLQIEISA-N -1 0 349.358 2.587 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001609804080 1098463300 /nfs/dbraw/zinc/46/33/00/1098463300.db2.gz CAKASBWQXFAAFL-WDEREUQCSA-N -1 0 329.308 2.921 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001609803950 1098463404 /nfs/dbraw/zinc/46/34/04/1098463404.db2.gz ZMFDGNJHUAGWAG-LBPRGKRZSA-N -1 0 325.320 2.558 20 30 EFEDRM CC1(C)CC(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001609816653 1098467423 /nfs/dbraw/zinc/46/74/23/1098467423.db2.gz TVQBSJNDYGXPDU-UHFFFAOYSA-N -1 0 335.448 2.991 20 30 EFEDRM CC1CCC(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001609848819 1098476207 /nfs/dbraw/zinc/47/62/07/1098476207.db2.gz DPNCFOWEGUOECI-QOJXUVEWSA-N -1 0 331.368 2.822 20 30 EFEDRM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1ccc(Cl)cc1C#N ZINC001609853959 1098477268 /nfs/dbraw/zinc/47/72/68/1098477268.db2.gz UHBQSUCFJWOFNI-XGVBPZLHSA-N -1 0 334.803 2.807 20 30 EFEDRM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1ccc(Cl)cc1C#N ZINC001609853958 1098477342 /nfs/dbraw/zinc/47/73/42/1098477342.db2.gz UHBQSUCFJWOFNI-HGGPSHQYSA-N -1 0 334.803 2.807 20 30 EFEDRM CC[C@H](C)C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001609906148 1098490100 /nfs/dbraw/zinc/49/01/00/1098490100.db2.gz BKCXNQBUHYSXLY-KWQFWETISA-N -1 0 343.305 2.591 20 30 EFEDRM CCC(CC)C(=O)N1CCC(=NOCc2occc2C(=O)[O-])CC1 ZINC001609916584 1098493207 /nfs/dbraw/zinc/49/32/07/1098493207.db2.gz FAEZMRYGBABGEU-UHFFFAOYSA-N -1 0 336.388 2.909 20 30 EFEDRM CC[C@@](CNc1nccc(C#N)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609921869 1098494906 /nfs/dbraw/zinc/49/49/06/1098494906.db2.gz ZXCUKTHHYMWVKT-KRWDZBQOSA-N -1 0 340.339 2.706 20 30 EFEDRM CC[C@@](NC(=O)c1cc(C#N)[nH]c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929218 1098497155 /nfs/dbraw/zinc/49/71/55/1098497155.db2.gz QSNISPMVKHJUSC-KRWDZBQOSA-N -1 0 345.786 2.968 20 30 EFEDRM CC[C@@](NC(=O)c1cccc(C#N)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001609929029 1098497182 /nfs/dbraw/zinc/49/71/82/1098497182.db2.gz RUDHVYGJYBKFSX-KRWDZBQOSA-N -1 0 343.770 2.727 20 30 EFEDRM CC[C@H](OC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC001609939024 1098500033 /nfs/dbraw/zinc/50/00/33/1098500033.db2.gz TXBUWEXTXSKMAA-TVRMLOFPSA-N -1 0 345.273 2.764 20 30 EFEDRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)o1 ZINC001609986619 1098514522 /nfs/dbraw/zinc/51/45/22/1098514522.db2.gz SMOXBTZKWZXHJP-HNNXBMFYSA-N -1 0 328.324 2.790 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CS[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001609993477 1098517704 /nfs/dbraw/zinc/51/77/04/1098517704.db2.gz MFQAMYIJRCQCEV-GDBMZVCRSA-N -1 0 348.468 2.732 20 30 EFEDRM CCN(C[C@H](C)C#N)C(=O)CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001609993480 1098517765 /nfs/dbraw/zinc/51/77/65/1098517765.db2.gz MFQAMYIJRCQCEV-ZBFHGGJFSA-N -1 0 348.468 2.732 20 30 EFEDRM CCOC(=O)c1ccc(C#N)c(SCc2cccc(C(=O)[O-])n2)n1 ZINC001610022103 1098523797 /nfs/dbraw/zinc/52/37/97/1098523797.db2.gz PZTYOUZOUONICP-UHFFFAOYSA-N -1 0 343.364 2.515 20 30 EFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1nc(Cl)c(C#N)s1 ZINC001610034318 1098525801 /nfs/dbraw/zinc/52/58/01/1098525801.db2.gz WDVASKSCXHVBKZ-VIFPVBQESA-N -1 0 331.825 2.622 20 30 EFEDRM CCc1nc(NC(=O)CCc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC001610069889 1098538356 /nfs/dbraw/zinc/53/83/56/1098538356.db2.gz AUKRQISWIUXQBZ-UHFFFAOYSA-N -1 0 329.381 2.847 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([S-])cc1)CC2 ZINC001269963669 1098550242 /nfs/dbraw/zinc/55/02/42/1098550242.db2.gz MMVPKGGFGHXWQW-HNNXBMFYSA-N -1 0 330.453 2.520 20 30 EFEDRM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)c2ccc(F)cc21 ZINC001610138210 1098555996 /nfs/dbraw/zinc/55/59/96/1098555996.db2.gz RGTNJBFNSQWKHZ-UHFFFAOYSA-N -1 0 325.343 2.852 20 30 EFEDRM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])c(Cl)c1 ZINC001269982338 1098558118 /nfs/dbraw/zinc/55/81/18/1098558118.db2.gz BTQJAJMUMGWRRZ-GOSISDBHSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1 ZINC001610155922 1098560054 /nfs/dbraw/zinc/56/00/54/1098560054.db2.gz UBXLXPRKLXOKHQ-SJKOYZFVSA-N -1 0 338.363 2.821 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(Cl)c1[O-] ZINC001269983577 1098566761 /nfs/dbraw/zinc/56/67/61/1098566761.db2.gz SROUTCXVMHWXOB-SFHVURJKSA-N -1 0 348.830 2.829 20 30 EFEDRM COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2C#N)cc(C(=O)[O-])c1 ZINC001610204264 1098570263 /nfs/dbraw/zinc/57/02/63/1098570263.db2.gz OXJAMCCRGKSFBD-UHFFFAOYSA-N -1 0 342.263 2.744 20 30 EFEDRM COC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])c(C)n2C)cc1Cl ZINC001610215732 1098575254 /nfs/dbraw/zinc/57/52/54/1098575254.db2.gz MPFVTMPFZFMRLM-UHFFFAOYSA-N -1 0 349.774 2.918 20 30 EFEDRM COC(=O)c1cccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001610217780 1098576469 /nfs/dbraw/zinc/57/64/69/1098576469.db2.gz JWKDLUHGMZYHKS-YHYXMXQVSA-N -1 0 340.331 2.833 20 30 EFEDRM COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC001610260423 1098590234 /nfs/dbraw/zinc/59/02/34/1098590234.db2.gz WQBMIDUCLPOTSK-UHFFFAOYSA-N -1 0 338.407 2.834 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001610277594 1098598668 /nfs/dbraw/zinc/59/86/68/1098598668.db2.gz NJPITNXZTOBINY-GOSISDBHSA-N -1 0 344.342 2.536 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1CCNc1c(C#N)nnc2ccccc21 ZINC001610284095 1098601233 /nfs/dbraw/zinc/60/12/33/1098601233.db2.gz ZWLRZQWRKQLBMP-UHFFFAOYSA-N -1 0 348.362 2.863 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC001610284456 1098601487 /nfs/dbraw/zinc/60/14/87/1098601487.db2.gz MLZIFJFGGUZJJM-UHFFFAOYSA-N -1 0 339.351 2.929 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1ccccc1CC#N ZINC001610288107 1098604537 /nfs/dbraw/zinc/60/45/37/1098604537.db2.gz CYHNIJWKYFKZLO-UHFFFAOYSA-N -1 0 325.320 2.608 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ncc(C#N)cc1C ZINC001610294480 1098605993 /nfs/dbraw/zinc/60/59/93/1098605993.db2.gz JSQLIXIKKKXYGH-XQRVVYSFSA-N -1 0 338.319 2.587 20 30 EFEDRM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])cc(OC)c1O ZINC001610293563 1098606065 /nfs/dbraw/zinc/60/60/65/1098606065.db2.gz HJIYENKIRYQDDV-UHFFFAOYSA-N -1 0 334.303 2.693 20 30 EFEDRM COc1ccc(C#N)cc1COC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001610311787 1098614800 /nfs/dbraw/zinc/61/48/00/1098614800.db2.gz JHWSNELVTBFUBF-UHFFFAOYSA-N -1 0 329.352 2.645 20 30 EFEDRM COc1ccc(C#N)cc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001610311666 1098614949 /nfs/dbraw/zinc/61/49/49/1098614949.db2.gz IHARNFLWVFBFIC-UHFFFAOYSA-N -1 0 340.379 2.662 20 30 EFEDRM COc1ccc([C@@H](NCc2ccc(C#N)s2)C(=O)[O-])c(OC)c1 ZINC001610324195 1098620585 /nfs/dbraw/zinc/62/05/85/1098620585.db2.gz IRIHVKNOEOJGMV-OAHLLOKOSA-N -1 0 332.381 2.552 20 30 EFEDRM COc1ccc([C@H](NCc2ccc(C#N)s2)C(=O)[O-])c(OC)c1 ZINC001610324189 1098620658 /nfs/dbraw/zinc/62/06/58/1098620658.db2.gz IRIHVKNOEOJGMV-HNNXBMFYSA-N -1 0 332.381 2.552 20 30 EFEDRM COc1ccc([C@H](NCc2cc(C#N)ccc2F)C(=O)[O-])c(OC)c1 ZINC001610324722 1098621996 /nfs/dbraw/zinc/62/19/96/1098621996.db2.gz LOZMNMYKOASLCT-KRWDZBQOSA-N -1 0 344.342 2.630 20 30 EFEDRM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001610396582 1098654250 /nfs/dbraw/zinc/65/42/50/1098654250.db2.gz GUNNFUXVPRWUDP-UHFFFAOYSA-N -1 0 327.340 2.691 20 30 EFEDRM Cc1[nH]c(C(=O)[C@H](C)Sc2ccc(C#N)cn2)c(C)c1C(=O)[O-] ZINC001610400531 1098656765 /nfs/dbraw/zinc/65/67/65/1098656765.db2.gz YQXCHZWAPOEOAD-JTQLQIEISA-N -1 0 329.381 2.960 20 30 EFEDRM Cc1cc(C#N)cc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001610432859 1098673867 /nfs/dbraw/zinc/67/38/67/1098673867.db2.gz OJTVDIWZNAILRO-GOSISDBHSA-N -1 0 338.367 2.773 20 30 EFEDRM Cc1cc(C#N)cnc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001610432973 1098673976 /nfs/dbraw/zinc/67/39/76/1098673976.db2.gz QUMUIGHZXKNIPY-UHFFFAOYSA-N -1 0 330.727 2.970 20 30 EFEDRM Cc1cc(C)n(N=Cc2cc(C(=O)[O-])ccc2Cl)c(=O)c1C#N ZINC001610458166 1098689717 /nfs/dbraw/zinc/68/97/17/1098689717.db2.gz KKXUSOQQJYWBFF-UHFFFAOYSA-N -1 0 329.743 2.571 20 30 EFEDRM Cc1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c(C#N)cc1N(C)C ZINC001610472305 1098695968 /nfs/dbraw/zinc/69/59/68/1098695968.db2.gz XBQIVVWISPZUCD-UHFFFAOYSA-N -1 0 337.379 2.812 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1Cc2cccc(C#N)c2C1 ZINC001610487011 1098706900 /nfs/dbraw/zinc/70/69/00/1098706900.db2.gz OQMMOSGOUIDJEE-ZDUSSCGKSA-N -1 0 349.390 2.908 20 30 EFEDRM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1C#N ZINC001610552302 1098748321 /nfs/dbraw/zinc/74/83/21/1098748321.db2.gz RTHUKVPEXNQDSP-HNNXBMFYSA-N -1 0 343.770 2.861 20 30 EFEDRM Cc1nc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2C#N)no1 ZINC001610554869 1098749581 /nfs/dbraw/zinc/74/95/81/1098749581.db2.gz MPFGFBAUDUIBPS-OAHLLOKOSA-N -1 0 326.356 2.675 20 30 EFEDRM Cc1nn(C(C)(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001610567387 1098758009 /nfs/dbraw/zinc/75/80/09/1098758009.db2.gz UCYBGQFDAOLIQX-HNNXBMFYSA-N -1 0 341.367 2.801 20 30 EFEDRM Cc1csc(=Nc2ccccn2)n1N=Cc1cc(C(=O)[O-])c(C)o1 ZINC001610579506 1098765297 /nfs/dbraw/zinc/76/52/97/1098765297.db2.gz GYOMLQFNSJWQNQ-UHFFFAOYSA-N -1 0 342.380 2.967 20 30 EFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC001610579164 1098765453 /nfs/dbraw/zinc/76/54/53/1098765453.db2.gz IDRKLEGKXJQSTK-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1oc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC001610587345 1098771153 /nfs/dbraw/zinc/77/11/53/1098771153.db2.gz IPGLNGPGPKYJAO-UHFFFAOYSA-N -1 0 341.728 2.579 20 30 EFEDRM Cc1sc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)nc1C(=O)[O-] ZINC001610592895 1098774167 /nfs/dbraw/zinc/77/41/67/1098774167.db2.gz YWOGUVWVEGXUOD-CYBMUJFWSA-N -1 0 341.392 2.999 20 30 EFEDRM Cn1c(C=NNC(=S)Nc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001610597266 1098776353 /nfs/dbraw/zinc/77/63/53/1098776353.db2.gz BSUISDXKQBIKBM-UHFFFAOYSA-N -1 0 336.804 2.697 20 30 EFEDRM N#CC1(CC[S@@](=O)Cc2nc(C(=O)[O-])cs2)CCCCC1 ZINC001610619525 1098785809 /nfs/dbraw/zinc/78/58/09/1098785809.db2.gz LFCNWDJERMRBKY-OAQYLSRUSA-N -1 0 326.443 2.954 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC001610619364 1098786022 /nfs/dbraw/zinc/78/60/22/1098786022.db2.gz TVIVBLOESFSAGV-UHFFFAOYSA-N -1 0 330.428 2.810 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001610618150 1098786201 /nfs/dbraw/zinc/78/62/01/1098786201.db2.gz VODKGFSLUNAJBQ-UHFFFAOYSA-N -1 0 329.331 2.671 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(c2ncccc2OCc2ccccc2)CC1 ZINC001610617629 1098786492 /nfs/dbraw/zinc/78/64/92/1098786492.db2.gz JCSNZKWUYLHHPH-UHFFFAOYSA-N -1 0 337.379 2.855 20 30 EFEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCC[C@@H]2CCc3ccccc32)CC1 ZINC001610617427 1098786528 /nfs/dbraw/zinc/78/65/28/1098786528.db2.gz CRDGMRPTRNRFNX-HNNXBMFYSA-N -1 0 341.411 2.506 20 30 EFEDRM N#CCOc1cccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001610623080 1098787687 /nfs/dbraw/zinc/78/76/87/1098787687.db2.gz HIHSBVWATHRDFH-UHFFFAOYSA-N -1 0 343.314 2.748 20 30 EFEDRM N#CC1(c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2)CC1 ZINC001610620979 1098787983 /nfs/dbraw/zinc/78/79/83/1098787983.db2.gz YQSRWGXXANHLDD-UHFFFAOYSA-N -1 0 327.365 2.578 20 30 EFEDRM N#CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001610623637 1098788776 /nfs/dbraw/zinc/78/87/76/1098788776.db2.gz VTZPAGZOYHJCGD-UHFFFAOYSA-N -1 0 328.368 2.953 20 30 EFEDRM N#Cc1c(COC(=O)c2cc(-c3ccco3)[nH]n2)cccc1C(=O)[O-] ZINC001610624769 1098789205 /nfs/dbraw/zinc/78/92/05/1098789205.db2.gz FEGNCWZZXNVWCQ-UHFFFAOYSA-N -1 0 337.291 2.597 20 30 EFEDRM N#Cc1c(CN[C@@H](CCO)c2ccccc2F)cccc1C(=O)[O-] ZINC001610623702 1098789530 /nfs/dbraw/zinc/78/95/30/1098789530.db2.gz SXOSPJQYFKLWHW-KRWDZBQOSA-N -1 0 328.343 2.609 20 30 EFEDRM N#CCc1ccc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001610624488 1098789581 /nfs/dbraw/zinc/78/95/81/1098789581.db2.gz QLIIKAURPVMBFF-KRWDZBQOSA-N -1 0 326.327 2.744 20 30 EFEDRM N#CCc1cccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001610624570 1098789968 /nfs/dbraw/zinc/78/99/68/1098789968.db2.gz UHOJJKPJZSMVOQ-TWGQIWQCSA-N -1 0 343.360 2.618 20 30 EFEDRM N#Cc1c(COC(=O)c2ccn(-c3ccccc3)n2)cccc1C(=O)[O-] ZINC001610624913 1098790519 /nfs/dbraw/zinc/79/05/19/1098790519.db2.gz IFDASWUIKZQHQF-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cc1Cl ZINC001610626363 1098790766 /nfs/dbraw/zinc/79/07/66/1098790766.db2.gz IOOVLXWCADFTSU-UHFFFAOYSA-N -1 0 344.710 2.891 20 30 EFEDRM N#Cc1cc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])ncn1 ZINC001610626155 1098790940 /nfs/dbraw/zinc/79/09/40/1098790940.db2.gz MCPCCUOKOVEXHZ-HNNXBMFYSA-N -1 0 332.363 2.857 20 30 EFEDRM N#Cc1ccc(CNC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC001610628113 1098792473 /nfs/dbraw/zinc/79/24/73/1098792473.db2.gz OUGHRSSZGHWBNK-UHFFFAOYSA-N -1 0 328.755 2.769 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1O ZINC001610626833 1098792743 /nfs/dbraw/zinc/79/27/43/1098792743.db2.gz XDVAALLZLSCAKT-HZPDHXFCSA-N -1 0 342.395 2.759 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(C(=O)[O-])co2)c(Cl)c([N+](=O)[O-])c1 ZINC001610626642 1098792817 /nfs/dbraw/zinc/79/28/17/1098792817.db2.gz XXIUJNBQVYVCAA-UHFFFAOYSA-N -1 0 335.659 2.663 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001610627673 1098792861 /nfs/dbraw/zinc/79/28/61/1098792861.db2.gz OOVBAQFIARDDJQ-UHFFFAOYSA-N -1 0 330.727 2.797 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001610627085 1098793008 /nfs/dbraw/zinc/79/30/08/1098793008.db2.gz LDSCHYBTAUKRAF-OAHLLOKOSA-N -1 0 328.755 2.637 20 30 EFEDRM N#Cc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001610628317 1098793713 /nfs/dbraw/zinc/79/37/13/1098793713.db2.gz XOFHHRNOQXYUHN-UHFFFAOYSA-N -1 0 337.335 2.723 20 30 EFEDRM N#Cc1cccc(-n2ccc(C(=O)OCc3ccccc3C(=O)[O-])n2)c1 ZINC001610630551 1098794103 /nfs/dbraw/zinc/79/41/03/1098794103.db2.gz UIULHISPPDFDAO-UHFFFAOYSA-N -1 0 347.330 2.799 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC001610628274 1098794223 /nfs/dbraw/zinc/79/42/23/1098794223.db2.gz UXUIFOSLRCEFGA-UHFFFAOYSA-N -1 0 349.268 2.995 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC001610629996 1098794327 /nfs/dbraw/zinc/79/43/27/1098794327.db2.gz JAVSWLACHZBNRK-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2c(N)cc(F)cc2Cl)C(=O)[O-])c1 ZINC001610632185 1098795188 /nfs/dbraw/zinc/79/51/88/1098795188.db2.gz SNFUFOPTRQPTEK-AWEZNQCLSA-N -1 0 348.717 2.916 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001610631492 1098795352 /nfs/dbraw/zinc/79/53/52/1098795352.db2.gz CUGZEBJAZOLCSB-GFCCVEGCSA-N -1 0 332.293 2.511 20 30 EFEDRM N#Cc1cccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])o3)on2)c1 ZINC001610631637 1098795717 /nfs/dbraw/zinc/79/57/17/1098795717.db2.gz TZFDMJLYKAPEMJ-UHFFFAOYSA-N -1 0 338.275 2.861 20 30 EFEDRM N#Cc1ccccc1/C=C\C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001610632792 1098795831 /nfs/dbraw/zinc/79/58/31/1098795831.db2.gz GRXLVOWFLGNEDY-CGQZWFTASA-N -1 0 339.322 2.950 20 30 EFEDRM N#Cc1ccccc1/C=C/C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001610632633 1098795837 /nfs/dbraw/zinc/79/58/37/1098795837.db2.gz CQFJEFKPLQJAQU-AATRIKPKSA-N -1 0 327.727 2.957 20 30 EFEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001610632491 1098796157 /nfs/dbraw/zinc/79/61/57/1098796157.db2.gz XINLAVZJKNBNAR-RTBURBONSA-N -1 0 347.374 2.629 20 30 EFEDRM N#Cc1csc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001610634152 1098796778 /nfs/dbraw/zinc/79/67/78/1098796778.db2.gz MVZGFVFZPIIYHC-MRVPVSSYSA-N -1 0 333.394 2.518 20 30 EFEDRM N#Cc1ccncc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001610633807 1098796857 /nfs/dbraw/zinc/79/68/57/1098796857.db2.gz ZLNJYDDPQZXQAS-UHFFFAOYSA-N -1 0 346.140 2.666 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001610633416 1098797552 /nfs/dbraw/zinc/79/75/52/1098797552.db2.gz LBPDEMIWDBNTKC-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM N#Cc1cnc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(Cl)c1 ZINC001610633255 1098797856 /nfs/dbraw/zinc/79/78/56/1098797856.db2.gz DMDKNFVSPKGOML-CYBMUJFWSA-N -1 0 335.791 2.760 20 30 EFEDRM O=C([O-])COc1ccc(/C=C2/Oc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC001610785646 1098885095 /nfs/dbraw/zinc/88/50/95/1098885095.db2.gz JCPZOLPJYRKIQG-OVCLIPMQSA-N -1 0 341.275 2.674 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001610785648 1098885292 /nfs/dbraw/zinc/88/52/92/1098885292.db2.gz JGBFKXFGWAZUAL-XFSBKJJWSA-N -1 0 343.291 2.660 20 30 EFEDRM O=C([O-])Cn1cccc1C=NNc1ccc(OCC(F)(F)F)cc1 ZINC001610801293 1098897086 /nfs/dbraw/zinc/89/70/86/1098897086.db2.gz UCIPGQBJHSNKIV-UHFFFAOYSA-N -1 0 341.289 2.960 20 30 EFEDRM O=C([O-])c1ccc(-c2noc(C#Cc3ccc4c(c3)OCO4)n2)cc1 ZINC001610820934 1098911436 /nfs/dbraw/zinc/91/14/36/1098911436.db2.gz DNYKZTSQJILSBB-UHFFFAOYSA-N -1 0 334.287 2.563 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ncc(Br)s2)[nH]1 ZINC001610824294 1098914476 /nfs/dbraw/zinc/91/44/76/1098914476.db2.gz QWNWPJQFJJNJLB-DUXPYHPUSA-N -1 0 327.159 2.828 20 30 EFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2cc3c(s2)SCC(=O)N3)o1 ZINC001610887760 1098959270 /nfs/dbraw/zinc/95/92/70/1098959270.db2.gz YFGNTVMXABAJRQ-IWQZZHSRSA-N -1 0 335.362 2.980 20 30 EFEDRM O=C([O-])c1ccc(/C=C/C(=O)c2cc3c(s2)SCC(=O)N3)o1 ZINC001610887759 1098959734 /nfs/dbraw/zinc/95/97/34/1098959734.db2.gz YFGNTVMXABAJRQ-HNQUOIGGSA-N -1 0 335.362 2.980 20 30 EFEDRM C=C(C)CN1CC[C@@]2(CCN(C(=O)Cc3ccc([S-])cc3)C2)C1=O ZINC001270466006 1099117279 /nfs/dbraw/zinc/11/72/79/1099117279.db2.gz SXOITZLIEOEAJR-IBGZPJMESA-N -1 0 344.480 2.545 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000042234371 1100077950 /nfs/dbraw/zinc/07/79/50/1100077950.db2.gz QPMPSIYWIHKYOK-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM N#Cc1ccc2[nH]c(NC(=O)c3ncc4ccccc4c3[O-])nc2c1 ZINC001631012493 1100361214 /nfs/dbraw/zinc/36/12/14/1100361214.db2.gz WOQXCATVVBOARR-UHFFFAOYSA-N -1 0 329.319 2.941 20 30 EFEDRM CN(C)c1cccc2sc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc21 ZINC001640271139 1101031858 /nfs/dbraw/zinc/03/18/58/1101031858.db2.gz NWJLMAUMGDZGJP-UHFFFAOYSA-N -1 0 336.380 2.686 20 30 EFEDRM Cc1ccccc1Nc1scnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001640270505 1101031879 /nfs/dbraw/zinc/03/18/79/1101031879.db2.gz DNOQOJVTBDAXII-UHFFFAOYSA-N -1 0 349.379 2.914 20 30 EFEDRM N#CCOc1ccccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001642632379 1101228446 /nfs/dbraw/zinc/22/84/46/1101228446.db2.gz WJIMKQNNJBDZDI-UHFFFAOYSA-N -1 0 334.335 2.733 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)Cn2ccc3ccccc32)c1 ZINC000058187997 1101261791 /nfs/dbraw/zinc/26/17/91/1101261791.db2.gz MVXCFNSBVBBWHQ-UHFFFAOYSA-N -1 0 344.392 2.995 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]S(=O)(=O)CC(C)C ZINC000796818956 1101597064 /nfs/dbraw/zinc/59/70/64/1101597064.db2.gz SOIGYDJGRLYEMA-UHFFFAOYSA-N -1 0 336.438 2.797 20 30 EFEDRM N#Cc1cc([N-]c2nnc(Br)s2)cc([N+](=O)[O-])c1 ZINC001211327135 1101666841 /nfs/dbraw/zinc/66/68/41/1101666841.db2.gz NFVWSRADZPKGLG-UHFFFAOYSA-N -1 0 326.135 2.824 20 30 EFEDRM Cn1c(=O)[n-]c(Sc2ccc(-c3ccccc3)cc2)c(C#N)c1=O ZINC001654994666 1101775357 /nfs/dbraw/zinc/77/53/57/1101775357.db2.gz PYUMVPADWMBWDQ-UHFFFAOYSA-N -1 0 335.388 2.763 20 30 EFEDRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(Nc2ccncc2C#N)c1 ZINC001655473192 1101832155 /nfs/dbraw/zinc/83/21/55/1101832155.db2.gz QJPTVRBNJJSDNZ-UHFFFAOYSA-N -1 0 334.301 2.606 20 30 EFEDRM N#CCCN(Cc1ccc(Cl)cc1)c1nccnc1CC(=O)[O-] ZINC001167140773 1101890089 /nfs/dbraw/zinc/89/00/89/1101890089.db2.gz APUAJIYNIIJVHZ-UHFFFAOYSA-N -1 0 330.775 2.677 20 30 EFEDRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000796677592 1102433502 /nfs/dbraw/zinc/43/35/02/1102433502.db2.gz LNVWXMZYSRXZFL-UHFFFAOYSA-N -1 0 332.381 2.534 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2C#N)cc1 ZINC000588448511 1102644332 /nfs/dbraw/zinc/64/43/32/1102644332.db2.gz DYAUFQPHIZNEFH-XFXZXTDPSA-N -1 0 340.404 2.639 20 30 EFEDRM O=C([O-])c1cnc(Cl)cc1C=NNC(=S)NC1CCCCC1 ZINC000905420975 1103166586 /nfs/dbraw/zinc/16/65/86/1103166586.db2.gz ZWJPAMSFVXLXIE-UHFFFAOYSA-N -1 0 340.836 2.564 20 30 EFEDRM CCOCc1nc(C)cc(N=NC(C)c2ccc(C(=O)[O-])cc2)n1 ZINC000905505891 1103253586 /nfs/dbraw/zinc/25/35/86/1103253586.db2.gz GBEVEOSHVYUZDA-UHFFFAOYSA-N -1 0 328.372 2.856 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2cccc3c2OCC3)sc2c1CCC2 ZINC000906072306 1103875718 /nfs/dbraw/zinc/87/57/18/1103875718.db2.gz HYFKLUABLOMIMG-UHFFFAOYSA-N -1 0 346.433 2.844 20 30 EFEDRM CCc1nc(S(=O)(=O)[N-]c2sccc2C#N)cn1CC1CC1 ZINC000906068878 1103879203 /nfs/dbraw/zinc/87/92/03/1103879203.db2.gz OPXIJNPGVLJBGU-UHFFFAOYSA-N -1 0 336.442 2.589 20 30 EFEDRM C[C@@]1(CS(=O)(=O)[N-]c2sccc2C#N)CC1(Cl)Cl ZINC000906069506 1103879642 /nfs/dbraw/zinc/87/96/42/1103879642.db2.gz WRZUAIWPNWRMER-VIFPVBQESA-N -1 0 325.242 2.945 20 30 EFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1scc(C)c1C#N ZINC000906071617 1103883056 /nfs/dbraw/zinc/88/30/56/1103883056.db2.gz DAXKZDYYKNTKDD-UHFFFAOYSA-N -1 0 338.458 2.587 20 30 EFEDRM CCc1c(C)sc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1C#N ZINC000906071437 1103883655 /nfs/dbraw/zinc/88/36/55/1103883655.db2.gz AZNUQJWVANMGDH-UHFFFAOYSA-N -1 0 344.849 2.678 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000906075190 1103904815 /nfs/dbraw/zinc/90/48/15/1103904815.db2.gz ZCEJLCYXWFCLPM-UHFFFAOYSA-N -1 0 343.433 2.975 20 30 EFEDRM N#CCc1ccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)cc1 ZINC001666431652 1104943026 /nfs/dbraw/zinc/94/30/26/1104943026.db2.gz JYDGFIQQTJFJFQ-UHFFFAOYSA-N -1 0 333.355 2.501 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(C3CC3)s2)n1 ZINC000729771507 1105261023 /nfs/dbraw/zinc/26/10/23/1105261023.db2.gz KMVAWBZTJUJORU-SNVBAGLBSA-N -1 0 347.421 2.819 20 30 EFEDRM N#Cc1ccc(NC[C@H]2CCCN(C(=O)c3ccccc3O)C2)cn1 ZINC001059994030 1106524817 /nfs/dbraw/zinc/52/48/17/1106524817.db2.gz CRMDEUKGNACGMN-CQSZACIVSA-N -1 0 336.395 2.623 20 30 EFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1 ZINC000128829190 1106924968 /nfs/dbraw/zinc/92/49/68/1106924968.db2.gz IKKWNBRGHBMLIV-INIZCTEOSA-N -1 0 340.379 2.586 20 30 EFEDRM COc1ccc(-c2nc(SC3CCOCC3)[n-]c(=O)c2C#N)cc1 ZINC000128851473 1107165801 /nfs/dbraw/zinc/16/58/01/1107165801.db2.gz RBZREUGUANKINM-UHFFFAOYSA-N -1 0 343.408 2.588 20 30 EFEDRM CCc1nc(CNCc2cc(C#N)ccc2N(C)C)ccc1C(=O)[O-] ZINC000903997268 1107499824 /nfs/dbraw/zinc/49/98/24/1107499824.db2.gz OVLAMKRSAYGFPV-UHFFFAOYSA-N -1 0 338.411 2.570 20 30 EFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001272219689 1107961390 /nfs/dbraw/zinc/96/13/90/1107961390.db2.gz PKXCRPLZRLRYFR-ZDUSSCGKSA-N -1 0 348.830 2.590 20 30 EFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc([S-])c1 ZINC001272380857 1108133057 /nfs/dbraw/zinc/13/30/57/1108133057.db2.gz YYCCVTZIFQSRTF-SFHVURJKSA-N -1 0 330.453 2.759 20 30 EFEDRM Cc1nc(N[C@H](C)C[C@@H](C)NC(=O)c2ccccc2O)ccc1C#N ZINC001089244004 1108163933 /nfs/dbraw/zinc/16/39/33/1108163933.db2.gz LTGOPQGJLBCUHS-CHWSQXEVSA-N -1 0 338.411 2.976 20 30 EFEDRM CC(=O)CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176397177 1108445614 /nfs/dbraw/zinc/44/56/14/1108445614.db2.gz KIPMWVKNWOCKKL-UHFFFAOYSA-N -1 0 338.363 2.803 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)c1 ZINC000176395210 1108445818 /nfs/dbraw/zinc/44/58/18/1108445818.db2.gz NCVQMIRYSZXCAT-UHFFFAOYSA-N -1 0 335.363 2.720 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2ccc(Cl)cc2n1 ZINC000176458387 1108602691 /nfs/dbraw/zinc/60/26/91/1108602691.db2.gz QHACBXOJBIMHGF-ZDUSSCGKSA-N -1 0 327.771 2.833 20 30 EFEDRM CCn1cc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c(C)n1 ZINC000899342869 1109293382 /nfs/dbraw/zinc/29/33/82/1109293382.db2.gz IAYXBPORBKASPX-ALCCZGGFSA-N -1 0 328.368 2.743 20 30 EFEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C\c1cc(C(=O)[O-])nn1C)CO2 ZINC000899349489 1109295808 /nfs/dbraw/zinc/29/58/08/1109295808.db2.gz DDIVRUXJOAKCMN-SDQBBNPISA-N -1 0 326.352 2.900 20 30 EFEDRM COc1ccc2c(c1)C[C@H](C)/C(=C\c1cc(C(=O)[O-])nn1C)C2=O ZINC000899392886 1109313324 /nfs/dbraw/zinc/31/33/24/1109313324.db2.gz XNYPUNKMGKGIMM-CYANDVJASA-N -1 0 326.352 2.585 20 30 EFEDRM O=C(CCCNC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1 ZINC000042232219 1109343517 /nfs/dbraw/zinc/34/35/17/1109343517.db2.gz PSRBTWZCOMQNEM-UHFFFAOYSA-N -1 0 346.408 2.542 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccoc1 ZINC000042241140 1109376259 /nfs/dbraw/zinc/37/62/59/1109376259.db2.gz REKRBTODWUFPAD-UHFFFAOYSA-N -1 0 330.705 2.535 20 30 EFEDRM C=C(Br)CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899803250 1109491730 /nfs/dbraw/zinc/49/17/30/1109491730.db2.gz NBVQSLDZHXPXHL-GFCCVEGCSA-N -1 0 326.190 2.578 20 30 EFEDRM CC(=NN(C)[C@H](C)CO)c1cc(Br)cc(Cl)c1[O-] ZINC000842543229 1111261666 /nfs/dbraw/zinc/26/16/66/1111261666.db2.gz YXOGEDFEWAAJNQ-SSDOTTSWSA-N -1 0 335.629 2.845 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000916877635 1111993815 /nfs/dbraw/zinc/99/38/15/1111993815.db2.gz IJKWCKMEGIPFLZ-CYBMUJFWSA-N -1 0 342.355 2.705 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916878435 1111994395 /nfs/dbraw/zinc/99/43/95/1111994395.db2.gz WMZGKYRAFWFGTC-ZDUSSCGKSA-N -1 0 343.339 2.970 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000916921594 1111998331 /nfs/dbraw/zinc/99/83/31/1111998331.db2.gz VVRHOCOGLCSZEG-BLLLJJGKSA-N -1 0 335.407 2.917 20 30 EFEDRM C[C@H](Oc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cn1)c1ccccc1 ZINC000916927532 1112000880 /nfs/dbraw/zinc/00/08/80/1112000880.db2.gz LFWOYKBNEBPQPI-GUYCJALGSA-N -1 0 349.390 2.823 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916931500 1112001481 /nfs/dbraw/zinc/00/14/81/1112001481.db2.gz QTLIJOVHWWHUEU-IBGZPJMESA-N -1 0 328.371 2.687 20 30 EFEDRM CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069617995 1117951548 /nfs/dbraw/zinc/95/15/48/1117951548.db2.gz LHQNLNHEIOQYAN-WCBMZHEXSA-N -1 0 348.218 2.519 20 30 EFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000069617998 1117951762 /nfs/dbraw/zinc/95/17/62/1117951762.db2.gz LHQNLNHEIOQYAN-WPRPVWTQSA-N -1 0 348.218 2.519 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000181671207 1118074114 /nfs/dbraw/zinc/07/41/14/1118074114.db2.gz ATDTXHNPNUICLM-UHFFFAOYSA-N -1 0 331.441 2.938 20 30 EFEDRM CCn1c(=O)c2ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc2[n-]c1=S ZINC000184924042 1119625253 /nfs/dbraw/zinc/62/52/53/1119625253.db2.gz HMPBQVDEFJHOHS-ZDUSSCGKSA-N -1 0 345.424 2.800 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2nccc3ccccc32)cc1 ZINC000073087364 1120535074 /nfs/dbraw/zinc/53/50/74/1120535074.db2.gz BHALQTKDXQGDFQ-UHFFFAOYSA-N -1 0 342.376 2.937 20 30 EFEDRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000073087437 1120535722 /nfs/dbraw/zinc/53/57/22/1120535722.db2.gz BGZYHUDGRRRJAB-HNNXBMFYSA-N -1 0 336.413 2.941 20 30 EFEDRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000052557297 214133669 /nfs/dbraw/zinc/13/36/69/214133669.db2.gz HTGFJQDRMDWZTP-LLVKDONJSA-N -1 0 337.383 2.857 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000055635793 214335191 /nfs/dbraw/zinc/33/51/91/214335191.db2.gz VTKHBYDGHRHCQT-UHFFFAOYSA-N -1 0 338.392 2.604 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Br)o1 ZINC000100871148 219110055 /nfs/dbraw/zinc/11/00/55/219110055.db2.gz GGOBRZPCVTUCSH-NSHDSACASA-N -1 0 347.168 2.681 20 30 EFEDRM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000045945862 213767209 /nfs/dbraw/zinc/76/72/09/213767209.db2.gz TWOYPJKKMLPPLY-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM O=C(C=Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000071892451 215929554 /nfs/dbraw/zinc/92/95/54/215929554.db2.gz UDAZGGVALZFJBA-MRZGDXHCSA-N -1 0 327.377 2.694 20 30 EFEDRM O=C([O-])C1(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000262498282 240355759 /nfs/dbraw/zinc/35/57/59/240355759.db2.gz KIMUGTRZVAWNLE-UHFFFAOYSA-N -1 0 339.313 2.818 20 30 EFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000262520175 240359286 /nfs/dbraw/zinc/35/92/86/240359286.db2.gz DVGICFFADHAOFT-STQMWFEESA-N -1 0 345.399 2.824 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262687819 240365768 /nfs/dbraw/zinc/36/57/68/240365768.db2.gz ZDFYYUUVVBQJDO-UHFFFAOYSA-N -1 0 333.384 2.633 20 30 EFEDRM Cn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000159923359 239037951 /nfs/dbraw/zinc/03/79/51/239037951.db2.gz ZRHUBAUSZMWQMR-CYBMUJFWSA-N -1 0 333.376 2.905 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000160956441 239059024 /nfs/dbraw/zinc/05/90/24/239059024.db2.gz GTKQCUIJZMUVNC-UHFFFAOYSA-N -1 0 338.801 2.950 20 30 EFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000024070781 212407521 /nfs/dbraw/zinc/40/75/21/212407521.db2.gz NALSQRISUBJXRI-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192730479 240063311 /nfs/dbraw/zinc/06/33/11/240063311.db2.gz WESZPFDZRYGBJR-UHFFFAOYSA-N -1 0 337.744 2.921 20 30 EFEDRM C=CCOc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000193004926 240079378 /nfs/dbraw/zinc/07/93/78/240079378.db2.gz UGIPQSIKPMDTOR-UHFFFAOYSA-N -1 0 329.356 2.520 20 30 EFEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000194598723 240164341 /nfs/dbraw/zinc/16/43/41/240164341.db2.gz JOVIWQQNPHQQGU-UHFFFAOYSA-N -1 0 330.365 2.536 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N ZINC000194667109 240171547 /nfs/dbraw/zinc/17/15/47/240171547.db2.gz KWNJGTJIQTYUEX-UHFFFAOYSA-N -1 0 345.211 2.839 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237952082 240248862 /nfs/dbraw/zinc/24/88/62/240248862.db2.gz JGRCXNZIJFEDDY-SNVBAGLBSA-N -1 0 343.301 2.817 20 30 EFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[N-]CC(F)(F)F ZINC000195055625 240200895 /nfs/dbraw/zinc/20/08/95/240200895.db2.gz XYGUWCWPIZPQHO-UHFFFAOYSA-N -1 0 348.799 2.786 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000236797260 240235876 /nfs/dbraw/zinc/23/58/76/240235876.db2.gz RGEZEDRTDUQMRJ-UHFFFAOYSA-N -1 0 344.411 2.940 20 30 EFEDRM C=CCC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000262793501 240368972 /nfs/dbraw/zinc/36/89/72/240368972.db2.gz BZJUFIKAUVXUJX-NSHDSACASA-N -1 0 332.183 2.908 20 30 EFEDRM C=CCc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc(OC)c1OC ZINC000262130824 240342455 /nfs/dbraw/zinc/34/24/55/240342455.db2.gz KJIGUJBQDOXYGI-GFCCVEGCSA-N -1 0 347.411 2.758 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl)C(=O)[O-] ZINC000262803879 240369715 /nfs/dbraw/zinc/36/97/15/240369715.db2.gz CWYRZFIMGMSMRJ-YPMHNXCESA-N -1 0 325.792 2.951 20 30 EFEDRM C=CCc1ccc(OCC(=O)N(CCC(=O)[O-])C(C)C)c(OC)c1 ZINC000262385514 240348275 /nfs/dbraw/zinc/34/82/75/240348275.db2.gz HSVPPMOSXQMDFK-UHFFFAOYSA-N -1 0 335.400 2.514 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)[O-] ZINC000262833555 240371377 /nfs/dbraw/zinc/37/13/77/240371377.db2.gz GCJWTFRDIFPQIJ-QGZVFWFLSA-N -1 0 327.380 2.927 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)[O-] ZINC000262845055 240371930 /nfs/dbraw/zinc/37/19/30/240371930.db2.gz HGRJEFZNDZTOKH-VIFPVBQESA-N -1 0 334.319 2.843 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262899637 240372180 /nfs/dbraw/zinc/37/21/80/240372180.db2.gz IBCBYNAHFCOJTB-LJQANCHMSA-N -1 0 347.411 2.833 20 30 EFEDRM C=CCC[C@H](NC(=O)CCNc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000262820099 240372427 /nfs/dbraw/zinc/37/24/27/240372427.db2.gz DXUMAGRKYDBOPV-LBPRGKRZSA-N -1 0 340.807 2.686 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000262878335 240373047 /nfs/dbraw/zinc/37/30/47/240373047.db2.gz KHZHQDULSCTERU-CABZTGNLSA-N -1 0 329.755 2.782 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)C(=O)[O-] ZINC000262889957 240373248 /nfs/dbraw/zinc/37/32/48/240373248.db2.gz LJKQHAQCSIJISP-JTQLQIEISA-N -1 0 347.337 2.806 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC000262906368 240373989 /nfs/dbraw/zinc/37/39/89/240373989.db2.gz FAVFVIQHFWIYDN-CYBMUJFWSA-N -1 0 337.441 2.793 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000262925936 240374045 /nfs/dbraw/zinc/37/40/45/240374045.db2.gz OMDXMCSRYHCUCT-OAHLLOKOSA-N -1 0 331.416 2.611 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1)C(=O)[O-] ZINC000262906919 240374317 /nfs/dbraw/zinc/37/43/17/240374317.db2.gz MUFUSQNDOWUZRZ-MRXNPFEDSA-N -1 0 341.411 2.947 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)C(=O)[O-] ZINC000262955904 240374548 /nfs/dbraw/zinc/37/45/48/240374548.db2.gz RCLPECZWOKCKQB-KRWDZBQOSA-N -1 0 341.411 2.697 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262963421 240374577 /nfs/dbraw/zinc/37/45/77/240374577.db2.gz OMHZRXKOXCFQEW-AWEZNQCLSA-N -1 0 347.411 2.977 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC000262916626 240374662 /nfs/dbraw/zinc/37/46/62/240374662.db2.gz FUVPMKIHYVUYJB-KRWDZBQOSA-N -1 0 342.395 2.744 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C(=O)[O-] ZINC000262945167 240374968 /nfs/dbraw/zinc/37/49/68/240374968.db2.gz QGAFHIVUOQBVPC-OAHLLOKOSA-N -1 0 346.427 2.612 20 30 EFEDRM C=CCOC[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000262963864 240375120 /nfs/dbraw/zinc/37/51/20/240375120.db2.gz JLYULHLPGMOQHH-HNNXBMFYSA-N -1 0 347.436 2.996 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000262923325 240375256 /nfs/dbraw/zinc/37/52/56/240375256.db2.gz OEWUQNPFRXKPDH-AWEZNQCLSA-N -1 0 331.372 2.540 20 30 EFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000262996665 240375448 /nfs/dbraw/zinc/37/54/48/240375448.db2.gz LYNPBBROJGTVSI-ZACQAIPSSA-N -1 0 331.412 2.686 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(C)c2)CCCCC1)C(=O)[O-] ZINC000262915348 240375721 /nfs/dbraw/zinc/37/57/21/240375721.db2.gz FSERXLGKVXUUCS-KRWDZBQOSA-N -1 0 345.439 2.969 20 30 EFEDRM C=CCOC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000263042490 240376119 /nfs/dbraw/zinc/37/61/19/240376119.db2.gz PHMLBGBWFWMSLU-ZDUSSCGKSA-N -1 0 343.782 2.529 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263032664 240376141 /nfs/dbraw/zinc/37/61/41/240376141.db2.gz PPJOEDKTGROZNN-SFHVURJKSA-N -1 0 333.384 2.587 20 30 EFEDRM C=CCC[C@@H](NC(=O)CCc1c(C)nn(CC(C)C)c1C)C(=O)[O-] ZINC000263040657 240376951 /nfs/dbraw/zinc/37/69/51/240376951.db2.gz ZOXRMHSGCBJXHP-MRXNPFEDSA-N -1 0 335.448 2.624 20 30 EFEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(C)cc2)CCOCC1)C(=O)[O-] ZINC000263038004 240376996 /nfs/dbraw/zinc/37/69/96/240376996.db2.gz ZJXPFYGTEWVCDM-MRXNPFEDSA-N -1 0 331.412 2.579 20 30 EFEDRM C=CCOC[C@H](NC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000263011172 240377067 /nfs/dbraw/zinc/37/70/67/240377067.db2.gz NDMCNRHDOMUJMD-HNNXBMFYSA-N -1 0 349.452 2.864 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC000263055535 240377198 /nfs/dbraw/zinc/37/71/98/240377198.db2.gz QFKZRUBUUZRCSW-MRXNPFEDSA-N -1 0 344.411 2.851 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC000263076071 240378193 /nfs/dbraw/zinc/37/81/93/240378193.db2.gz RTCSJYRINPGYHR-GOEBONIOSA-N -1 0 349.427 2.658 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263115879 240379497 /nfs/dbraw/zinc/37/94/97/240379497.db2.gz BZQRWGJGFSRMDN-KGLIPLIRSA-N -1 0 348.468 2.946 20 30 EFEDRM N#CCCCOc1cccnc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263128510 240379918 /nfs/dbraw/zinc/37/99/18/240379918.db2.gz XYGPILXNMGMZRF-UHFFFAOYSA-N -1 0 346.387 2.529 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263163759 240380721 /nfs/dbraw/zinc/38/07/21/240380721.db2.gz YDCISKSXNBSHQN-XJKSGUPXSA-N -1 0 349.427 2.523 20 30 EFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263326774 240382587 /nfs/dbraw/zinc/38/25/87/240382587.db2.gz OXMRVQAZIFQJHQ-JGZJWPJOSA-N -1 0 343.301 2.863 20 30 EFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000263503705 240384212 /nfs/dbraw/zinc/38/42/12/240384212.db2.gz UTQPXTAICXBWIT-HXUWFJFHSA-N -1 0 349.390 2.810 20 30 EFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263464954 240385435 /nfs/dbraw/zinc/38/54/35/240385435.db2.gz FWMLGVJGTAICSU-NWDGAFQWSA-N -1 0 333.413 2.877 20 30 EFEDRM N#CCCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000275063327 240745630 /nfs/dbraw/zinc/74/56/30/240745630.db2.gz VCQXVYRVVLIULN-INIZCTEOSA-N -1 0 346.408 2.579 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)sc1Cl ZINC000276601124 240770709 /nfs/dbraw/zinc/77/07/09/240770709.db2.gz QYGGDIWDZWHQOY-UHFFFAOYSA-N -1 0 344.849 2.929 20 30 EFEDRM C#CCO[N-]C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC000296264871 241081293 /nfs/dbraw/zinc/08/12/93/241081293.db2.gz YAXRKARPVGOKOK-ZDUSSCGKSA-N -1 0 327.409 2.988 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](CCC)C(=O)[O-])cc1OC ZINC000297164985 241113713 /nfs/dbraw/zinc/11/37/13/241113713.db2.gz LXFKFGXJOSXTBW-HQPKTYMTSA-N -1 0 347.411 2.890 20 30 EFEDRM C#CCO[C@@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000295456419 241051614 /nfs/dbraw/zinc/05/16/14/241051614.db2.gz HMGYOHQNULUDJY-ZETCQYMHSA-N -1 0 332.581 2.785 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000299279042 241169827 /nfs/dbraw/zinc/16/98/27/241169827.db2.gz UFQCIHDRCCURPP-HQPKTYMTSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000327320115 241206289 /nfs/dbraw/zinc/20/62/89/241206289.db2.gz ZNKRXDRPUKPLRB-SFHVURJKSA-N -1 0 337.375 2.903 20 30 EFEDRM Cc1csc2ncc(C([O-])=Nc3cc(C4CC4)nc(C)n3)c(=O)n12 ZINC000329204731 241324376 /nfs/dbraw/zinc/32/43/76/241324376.db2.gz DCLFXPVPPVPOCA-UHFFFAOYSA-N -1 0 341.396 2.677 20 30 EFEDRM CC(C)(C)C1CCC(O)(CNC(=O)c2cccn3c([O-])nnc23)CC1 ZINC000329126269 241311233 /nfs/dbraw/zinc/31/12/33/241311233.db2.gz YKMXEIJRLVPPPA-UHFFFAOYSA-N -1 0 346.431 2.707 20 30 EFEDRM CC1(C)CN(/C([O-])=N/Cc2cn3ccsc3n2)[C@@H]1[C@@H]1CCCO1 ZINC000329504928 241382750 /nfs/dbraw/zinc/38/27/50/241382750.db2.gz AEPOXKWTSMMKNZ-QWHCGFSZSA-N -1 0 334.445 2.699 20 30 EFEDRM CC1(C)CN(/C([O-])=N/Cc2cn3ccsc3n2)[C@@H]1[C@H]1CCCO1 ZINC000329504926 241383622 /nfs/dbraw/zinc/38/36/22/241383622.db2.gz AEPOXKWTSMMKNZ-CHWSQXEVSA-N -1 0 334.445 2.699 20 30 EFEDRM C[C@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000337822501 241710658 /nfs/dbraw/zinc/71/06/58/241710658.db2.gz PLLQCDYZKLDZIU-SCSAIBSYSA-N -1 0 339.232 2.720 20 30 EFEDRM C=CCN=c1[n-]nc(SCCOCC(F)(F)C(F)F)s1 ZINC000344622403 241817211 /nfs/dbraw/zinc/81/72/11/241817211.db2.gz ULAGJTHLSCVVKN-UHFFFAOYSA-N -1 0 331.360 2.567 20 30 EFEDRM N#CC1(F)CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000349195949 241866344 /nfs/dbraw/zinc/86/63/44/241866344.db2.gz XXKYLQJXEJCZTC-UHFFFAOYSA-N -1 0 337.405 2.548 20 30 EFEDRM C=CCNC(=O)C(C)=S([O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000349677244 241874237 /nfs/dbraw/zinc/87/42/37/241874237.db2.gz FWSHIOVHXQDTRB-MGUXCZDKSA-N -1 0 338.429 2.748 20 30 EFEDRM C=CCOc1ccc(CNC(=O)N=c2nc([C@@H](C)OC)[n-]s2)cc1 ZINC000350669279 241887651 /nfs/dbraw/zinc/88/76/51/241887651.db2.gz YIBGVDNCMJIGQT-LLVKDONJSA-N -1 0 348.428 2.554 20 30 EFEDRM CSc1ncc(C([O-])=C(C#N)c2ccncn2)n1-c1ccccc1 ZINC000354466091 242001869 /nfs/dbraw/zinc/00/18/69/242001869.db2.gz MIEUDXJBMBVMOZ-CYBMUJFWSA-N -1 0 335.392 2.874 20 30 EFEDRM COc1cc(Br)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000354481790 242000343 /nfs/dbraw/zinc/00/03/43/242000343.db2.gz YNPFXASXRBNEKQ-NSHDSACASA-N -1 0 332.157 2.738 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2ccncn2)sc1Br ZINC000354476255 242000365 /nfs/dbraw/zinc/00/03/65/242000365.db2.gz ZAPKBWPFYIFWPZ-ZETCQYMHSA-N -1 0 338.186 2.799 20 30 EFEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccncn1 ZINC000354473821 242000999 /nfs/dbraw/zinc/00/09/99/242000999.db2.gz WHPDUUMPNATFLV-SNVBAGLBSA-N -1 0 336.229 2.894 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1CC#N ZINC000355851481 242049562 /nfs/dbraw/zinc/04/95/62/242049562.db2.gz YNGCAEZCDCKBOO-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2sccc2C)cc1 ZINC000356750124 242078087 /nfs/dbraw/zinc/07/80/87/242078087.db2.gz ZPJKPWSYWCMAMM-UHFFFAOYSA-N -1 0 336.438 2.773 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(-c2ccncc2)cs1 ZINC000358647482 242127157 /nfs/dbraw/zinc/12/71/57/242127157.db2.gz GHGIAQFJNLKJIL-GFCCVEGCSA-N -1 0 346.375 2.738 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(F)(F)F ZINC000360213296 242189410 /nfs/dbraw/zinc/18/94/10/242189410.db2.gz SWXHWEQNQHJZKC-JTQLQIEISA-N -1 0 349.334 2.708 20 30 EFEDRM N#CC(=C([O-])c1nnc2ccccc2n1)c1cc(C(F)(F)F)ccn1 ZINC000362115478 242243204 /nfs/dbraw/zinc/24/32/04/242243204.db2.gz CUZACWDHPGDSQP-SNVBAGLBSA-N -1 0 343.268 2.929 20 30 EFEDRM N#CCCCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000360836782 242212861 /nfs/dbraw/zinc/21/28/61/242212861.db2.gz NHGVLRXVYWOUCV-UHFFFAOYSA-N -1 0 339.783 2.845 20 30 EFEDRM N#CCSc1cccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)c1 ZINC000361893968 242236315 /nfs/dbraw/zinc/23/63/15/242236315.db2.gz ZGNMIPUNXSIVFU-UHFFFAOYSA-N -1 0 338.314 2.785 20 30 EFEDRM Cn1cnc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cnc21 ZINC000362117532 242243794 /nfs/dbraw/zinc/24/37/94/242243794.db2.gz KJXBZNFLDJXEMT-NSHDSACASA-N -1 0 345.284 2.872 20 30 EFEDRM Cc1cn2ccnc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2n1 ZINC000362119904 242244271 /nfs/dbraw/zinc/24/42/71/242244271.db2.gz UAFAMKUPZLEDOG-NSHDSACASA-N -1 0 345.284 2.942 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1cc(C(F)(F)F)ccn1 ZINC000362134179 242245121 /nfs/dbraw/zinc/24/51/21/242245121.db2.gz ACGMCPDVCNEKGY-SNVBAGLBSA-N -1 0 331.257 2.633 20 30 EFEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1cc(C(F)(F)F)ccn1 ZINC000362132531 242246112 /nfs/dbraw/zinc/24/61/12/242246112.db2.gz BIGZNXUHAPIHCC-SECBINFHSA-N -1 0 339.298 2.751 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000416946100 244926972 /nfs/dbraw/zinc/92/69/72/244926972.db2.gz WYTIYRZFIAUDPR-GFCCVEGCSA-N -1 0 337.426 2.766 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCC2(C#N)CCC2)s1 ZINC000417075568 245007666 /nfs/dbraw/zinc/00/76/66/245007666.db2.gz VHBZMWPLYRWXMN-UHFFFAOYSA-N -1 0 345.403 2.890 20 30 EFEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc(OC)c1OC ZINC000262770064 245169613 /nfs/dbraw/zinc/16/96/13/245169613.db2.gz LXTDWZFHBIIBLU-LBPRGKRZSA-N -1 0 335.400 2.758 20 30 EFEDRM C=CCOc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000263010085 245297178 /nfs/dbraw/zinc/29/71/78/245297178.db2.gz PNMPIEDNEXYZBU-JJRVBVJISA-N -1 0 345.395 2.585 20 30 EFEDRM N#Cc1nc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000111561924 220165521 /nfs/dbraw/zinc/16/55/21/220165521.db2.gz SDSCKHZNXZGRIE-MNOVXSKESA-N -1 0 345.284 2.914 20 30 EFEDRM C[C@@H](O[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-] ZINC000421803625 246122057 /nfs/dbraw/zinc/12/20/57/246122057.db2.gz ILZJTDPYZHRVER-GHMZBOCLSA-N -1 0 334.372 2.552 20 30 EFEDRM C[C@@H](O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000421806708 246123782 /nfs/dbraw/zinc/12/37/82/246123782.db2.gz MLMGHYNNPVXPFR-NXEZZACHSA-N -1 0 336.413 2.705 20 30 EFEDRM CCOCc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000427237341 247330511 /nfs/dbraw/zinc/33/05/11/247330511.db2.gz CVDOQOOKHCEBAI-UHFFFAOYSA-N -1 0 331.397 2.599 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1F ZINC000427274500 247332885 /nfs/dbraw/zinc/33/28/85/247332885.db2.gz MQBWUEAHMZGNPW-UHFFFAOYSA-N -1 0 348.384 2.950 20 30 EFEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427327235 247338024 /nfs/dbraw/zinc/33/80/24/247338024.db2.gz KRTAGOGNCHGFEK-SNVBAGLBSA-N -1 0 336.392 2.974 20 30 EFEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427337628 247339186 /nfs/dbraw/zinc/33/91/86/247339186.db2.gz VLOIPSJVOJZOPB-JTQLQIEISA-N -1 0 334.376 2.666 20 30 EFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)n2)c1 ZINC000427395031 247345761 /nfs/dbraw/zinc/34/57/61/247345761.db2.gz MWVWPOLMNYQUPJ-CQSZACIVSA-N -1 0 330.363 2.694 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000427795442 247395474 /nfs/dbraw/zinc/39/54/74/247395474.db2.gz ZHBZFHYDDLKSKC-UHFFFAOYSA-N -1 0 335.385 2.653 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)cc1C#N ZINC000427752092 247389400 /nfs/dbraw/zinc/38/94/00/247389400.db2.gz AAIDSFFRWUGWJV-VIFPVBQESA-N -1 0 348.453 2.644 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1F ZINC000427747628 247389758 /nfs/dbraw/zinc/38/97/58/247389758.db2.gz UZPPMNQSLXVMBW-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM CCc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)sc1C ZINC000427760958 247391027 /nfs/dbraw/zinc/39/10/27/247391027.db2.gz OUTVWTGIYXIANW-UHFFFAOYSA-N -1 0 325.390 2.826 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1F ZINC000427787873 247393833 /nfs/dbraw/zinc/39/38/33/247393833.db2.gz JXSYSECMKXNULN-UHFFFAOYSA-N -1 0 334.376 2.879 20 30 EFEDRM Cn1nc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430610141 247814246 /nfs/dbraw/zinc/81/42/46/247814246.db2.gz KDHIMWBOVCSDQT-MRVPVSSYSA-N -1 0 333.373 2.572 20 30 EFEDRM C=CCNC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000433485558 248065038 /nfs/dbraw/zinc/06/50/38/248065038.db2.gz HNRJLBZKYYEJBD-UHFFFAOYSA-N -1 0 339.218 2.697 20 30 EFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435484275 248245242 /nfs/dbraw/zinc/24/52/42/248245242.db2.gz WAIYKMMQNWYGND-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435503377 248246806 /nfs/dbraw/zinc/24/68/06/248246806.db2.gz YDMWIMOZROKHGW-UHFFFAOYSA-N -1 0 336.394 2.597 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1 ZINC000435719695 249406770 /nfs/dbraw/zinc/40/67/70/249406770.db2.gz PDVLZPXHRKQSJR-UHFFFAOYSA-N -1 0 346.170 2.622 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436731534 249584747 /nfs/dbraw/zinc/58/47/47/249584747.db2.gz LXCKZSVCSGFJGM-AWEZNQCLSA-N -1 0 325.324 2.857 20 30 EFEDRM CCc1ccc([C@H](C#N)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436731804 249585894 /nfs/dbraw/zinc/58/58/94/249585894.db2.gz NCOQCSRNZWSKNU-HNNXBMFYSA-N -1 0 325.324 2.857 20 30 EFEDRM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000442619649 250091386 /nfs/dbraw/zinc/09/13/86/250091386.db2.gz KTNMKBSLZXYPHN-SKDRFNHKSA-N -1 0 347.234 2.793 20 30 EFEDRM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442642921 250094762 /nfs/dbraw/zinc/09/47/62/250094762.db2.gz BPNFHBIUULMRBO-QHCPKHFHSA-N -1 0 328.393 2.703 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccc3n[nH]nc3c2)ccc1OC(F)(F)F ZINC000442939277 250143372 /nfs/dbraw/zinc/14/33/72/250143372.db2.gz KJPMDFUSQZMWFO-UHFFFAOYSA-N -1 0 347.256 2.980 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1OCC ZINC000443141954 250163268 /nfs/dbraw/zinc/16/32/68/250163268.db2.gz NPNKLTCMTIOFQO-UHFFFAOYSA-N -1 0 347.396 2.551 20 30 EFEDRM N#CCCCS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443447406 250195797 /nfs/dbraw/zinc/19/57/97/250195797.db2.gz WIKBSYNTYJWVNM-CYBMUJFWSA-N -1 0 345.346 2.994 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2C)cc1OC ZINC000095385806 218318222 /nfs/dbraw/zinc/31/82/22/218318222.db2.gz BSNSCXNQCWRYKN-UHFFFAOYSA-N -1 0 335.381 2.706 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C1CC1 ZINC000267473567 251090798 /nfs/dbraw/zinc/09/07/98/251090798.db2.gz RHRBPVHQYFKREN-UHFFFAOYSA-N -1 0 330.413 2.761 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ncc1C(N)=O ZINC000453687410 252060875 /nfs/dbraw/zinc/06/08/75/252060875.db2.gz GJRPAFNPEOELGP-JTQLQIEISA-N -1 0 328.397 2.559 20 30 EFEDRM CC(C)(C)c1n[n-]c(=NC(=O)NCc2ccc(C#N)c(F)c2)s1 ZINC000454551632 252306629 /nfs/dbraw/zinc/30/66/29/252306629.db2.gz OAOMFBJQAQTNKE-UHFFFAOYSA-N -1 0 333.392 2.590 20 30 EFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000236890439 285003567 /nfs/dbraw/zinc/00/35/67/285003567.db2.gz LFZROHBERRYXTL-LBPRGKRZSA-N -1 0 338.429 2.678 20 30 EFEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1C#N ZINC000097085659 218946989 /nfs/dbraw/zinc/94/69/89/218946989.db2.gz QOWZEECNAJAMBV-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000269045105 255519702 /nfs/dbraw/zinc/51/97/02/255519702.db2.gz SFCKYSOCKPKJGQ-ZLQZBKBYSA-N -1 0 345.395 2.596 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000269045102 255519740 /nfs/dbraw/zinc/51/97/40/255519740.db2.gz SFCKYSOCKPKJGQ-FNQPIQQGSA-N -1 0 345.395 2.596 20 30 EFEDRM C=C(C)Cn1c(COc2cccc(C)c2)n[n-]c1=Nc1cnn(C)c1 ZINC000460373776 255955216 /nfs/dbraw/zinc/95/52/16/255955216.db2.gz FSLSNINJDOBFDO-UHFFFAOYSA-N -1 0 338.415 2.641 20 30 EFEDRM CCCCCc1n[n-]c(=NC(=O)NCCc2cccc(C#N)c2)s1 ZINC000466829350 256006744 /nfs/dbraw/zinc/00/67/44/256006744.db2.gz SESCHQOBNDMDMV-UHFFFAOYSA-N -1 0 343.456 2.929 20 30 EFEDRM CC(=Cc1cn2cc(Cl)ccc2n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339308 533412893 /nfs/dbraw/zinc/41/28/93/533412893.db2.gz RSDGZSMAOTWZIY-WEVVVXLNSA-N -1 0 325.759 2.812 20 30 EFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@@H](C(=O)[O-])C1 ZINC000263481206 141398107 /nfs/dbraw/zinc/39/81/07/141398107.db2.gz GJXMUMOJDGMHLU-SECBINFHSA-N -1 0 333.294 2.619 20 30 EFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000343137427 141943401 /nfs/dbraw/zinc/94/34/01/141943401.db2.gz NTNQJYTWNDMPPO-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000344702367 142064046 /nfs/dbraw/zinc/06/40/46/142064046.db2.gz UOZUGRMCZXJKDE-GFCCVEGCSA-N -1 0 344.314 2.776 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(F)c(C#N)c1 ZINC000340897931 144950599 /nfs/dbraw/zinc/95/05/99/144950599.db2.gz NBKVHBFEXDKRST-UHFFFAOYSA-N -1 0 342.355 2.680 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)o1 ZINC000340947109 144959109 /nfs/dbraw/zinc/95/91/09/144959109.db2.gz GGAKHRBZCBHXAW-UHFFFAOYSA-N -1 0 332.259 2.693 20 30 EFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1C(F)(F)F ZINC000340998904 144970087 /nfs/dbraw/zinc/97/00/87/144970087.db2.gz SHBNLCNGYFCIPJ-UHFFFAOYSA-N -1 0 346.286 2.979 20 30 EFEDRM CCCCc1n[n-]c(=NC(=O)NCCc2cccc(C#N)c2)s1 ZINC000342202984 145079622 /nfs/dbraw/zinc/07/96/22/145079622.db2.gz DPQWHYUFLJZRGW-UHFFFAOYSA-N -1 0 329.429 2.538 20 30 EFEDRM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2c1 ZINC000342439670 145127002 /nfs/dbraw/zinc/12/70/02/145127002.db2.gz AJCQKVURKPEYSL-UHFFFAOYSA-N -1 0 335.366 2.570 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)o1 ZINC000342463116 145131359 /nfs/dbraw/zinc/13/13/59/145131359.db2.gz CRPMCKXRLDDTFQ-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)o1 ZINC000342489636 145137077 /nfs/dbraw/zinc/13/70/77/145137077.db2.gz KVAZKJDFLAZJQE-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c2cccnc12 ZINC000342491042 145137470 /nfs/dbraw/zinc/13/74/70/145137470.db2.gz NFXWPADWGFLJJP-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM Cc1cc(=O)[nH]c2cc(C(=O)N=c3[n-]n(C(C)C)cc3C#N)ccc12 ZINC000342525086 145142860 /nfs/dbraw/zinc/14/28/60/145142860.db2.gz WXVOWEHSPNWWKH-UHFFFAOYSA-N -1 0 335.367 2.572 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(F)c1 ZINC000342601596 145157032 /nfs/dbraw/zinc/15/70/32/145157032.db2.gz WKWPEXAEWBIRFY-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(F)c1 ZINC000342604844 145157835 /nfs/dbraw/zinc/15/78/35/145157835.db2.gz NXJYQDIADBRHPQ-UHFFFAOYSA-N -1 0 348.374 2.847 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)s1 ZINC000344012230 145345141 /nfs/dbraw/zinc/34/51/41/145345141.db2.gz XNQDJEASHYWACO-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM CS[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C ZINC000344068246 145360729 /nfs/dbraw/zinc/36/07/29/145360729.db2.gz MEILQJNVTUVYNB-LBPRGKRZSA-N -1 0 348.440 2.892 20 30 EFEDRM Cc1nc(C=Cc2ccc(F)c(C#N)c2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349103776 146053093 /nfs/dbraw/zinc/05/30/93/146053093.db2.gz CVOZLTLTWBHUCB-HWKANZROSA-N -1 0 347.733 2.952 20 30 EFEDRM Cc1nc(C=Cc2ccc(F)c(C#N)c2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349103778 146053237 /nfs/dbraw/zinc/05/32/37/146053237.db2.gz CVOZLTLTWBHUCB-HYXAFXHYSA-N -1 0 347.733 2.952 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000350868759 146097558 /nfs/dbraw/zinc/09/75/58/146097558.db2.gz ITFOFCBUIIXKFX-UHFFFAOYSA-N -1 0 348.334 2.551 20 30 EFEDRM CCOc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c1 ZINC000350872352 146098079 /nfs/dbraw/zinc/09/80/79/146098079.db2.gz URTBELBKKVTYDN-UHFFFAOYSA-N -1 0 331.397 2.799 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000350869487 146098241 /nfs/dbraw/zinc/09/82/41/146098241.db2.gz KZCKXLJKUDMQBM-UHFFFAOYSA-N -1 0 341.314 2.818 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccoc1 ZINC000351299756 146120756 /nfs/dbraw/zinc/12/07/56/146120756.db2.gz CYPHBYZOCWRJLW-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM COCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000351104061 146110393 /nfs/dbraw/zinc/11/03/93/146110393.db2.gz AICJPQCVZFGDPP-UHFFFAOYSA-N -1 0 343.817 2.615 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(-c3ccccn3)s2)c1 ZINC000351216330 146115822 /nfs/dbraw/zinc/11/58/22/146115822.db2.gz BHHQFGRIQIFNDY-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000351308608 146121074 /nfs/dbraw/zinc/12/10/74/146121074.db2.gz WNOPZCREDBLQST-UHFFFAOYSA-N -1 0 338.392 2.760 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000351636885 146165347 /nfs/dbraw/zinc/16/53/47/146165347.db2.gz CHNOQDWFUHIWKK-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1c(F)ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1Cl ZINC000352013447 146264236 /nfs/dbraw/zinc/26/42/36/146264236.db2.gz JWFGYNRBEXXJMN-RQOWECAXSA-N -1 0 336.666 2.631 20 30 EFEDRM N#Cc1ccc(Cl)c(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000356006042 147121117 /nfs/dbraw/zinc/12/11/17/147121117.db2.gz UMIHHBWSHQABHK-UHFFFAOYSA-N -1 0 339.742 2.955 20 30 EFEDRM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1OC ZINC000356195832 147173349 /nfs/dbraw/zinc/17/33/49/147173349.db2.gz BAIQVGPPBAEPFT-XQRVVYSFSA-N -1 0 340.335 2.848 20 30 EFEDRM CCCc1ccc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)cc1 ZINC000359063407 147982621 /nfs/dbraw/zinc/98/26/21/147982621.db2.gz FFEJCYSSAYOZJN-UHFFFAOYSA-N -1 0 348.453 2.614 20 30 EFEDRM COc1cccc(Cc2n[n-]c(=NCc3cc(C#N)cs3)o2)c1 ZINC000359305041 148050723 /nfs/dbraw/zinc/05/07/23/148050723.db2.gz LNCGQNKCIHLXDB-UHFFFAOYSA-N -1 0 326.381 2.636 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N(C)Cc2cccc(C#N)c2)s1 ZINC000359452261 148088211 /nfs/dbraw/zinc/08/82/11/148088211.db2.gz JANDVSNVMQUEMJ-UHFFFAOYSA-N -1 0 333.442 2.608 20 30 EFEDRM N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1Cl ZINC000359458026 148089731 /nfs/dbraw/zinc/08/97/31/148089731.db2.gz KHPRRBGSAIXJOK-UHFFFAOYSA-N -1 0 344.684 2.670 20 30 EFEDRM COc1cc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)ccc1C#N ZINC000367035106 149774512 /nfs/dbraw/zinc/77/45/12/149774512.db2.gz HJTGGVAOCIPRFN-QGZVFWFLSA-N -1 0 348.362 2.660 20 30 EFEDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408498589 152202127 /nfs/dbraw/zinc/20/21/27/152202127.db2.gz LNILXNJFYLQSAN-ZWNOBZJWSA-N -1 0 340.832 2.843 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cn1 ZINC000171955972 227385716 /nfs/dbraw/zinc/38/57/16/227385716.db2.gz PVDRAYLNJXAJBZ-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000122505735 222102204 /nfs/dbraw/zinc/10/22/04/222102204.db2.gz MTUDHIQBFNYFQD-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnn1CC(C)C ZINC000155606830 544759300 /nfs/dbraw/zinc/75/93/00/544759300.db2.gz FKLONCMPIPNMPQ-CQSZACIVSA-N -1 0 340.431 2.656 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1C ZINC000183397708 544955409 /nfs/dbraw/zinc/95/54/09/544955409.db2.gz SEDDKWMXTLDKIS-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C ZINC000181148421 544931602 /nfs/dbraw/zinc/93/16/02/544931602.db2.gz GXUJAOLJEYUIMS-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1cc(C)c(C#N)c(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000290600776 270024540 /nfs/dbraw/zinc/02/45/40/270024540.db2.gz YVYCFXJATYNCPR-UHFFFAOYSA-N -1 0 325.397 2.917 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000290636010 270024720 /nfs/dbraw/zinc/02/47/20/270024720.db2.gz LQKMBUBJAGCPBX-UHFFFAOYSA-N -1 0 343.408 2.681 20 30 EFEDRM C#C[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000491274636 270031903 /nfs/dbraw/zinc/03/19/03/270031903.db2.gz ABUGQOJTDJAHKP-CQSZACIVSA-N -1 0 341.367 2.624 20 30 EFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cccc([C@@H]3CCCOC3)c2)[n-]1 ZINC000534300942 270037042 /nfs/dbraw/zinc/03/70/42/270037042.db2.gz LXVRPGFYRVJOFS-MRXNPFEDSA-N -1 0 338.411 2.904 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc1[O-] ZINC000188831403 265156052 /nfs/dbraw/zinc/15/60/52/265156052.db2.gz UWUIXNLBQWUGLT-UHFFFAOYSA-N -1 0 333.351 2.826 20 30 EFEDRM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000193682508 265342166 /nfs/dbraw/zinc/34/21/66/265342166.db2.gz QQUKTGDOEKNPAV-UHFFFAOYSA-N -1 0 344.289 2.593 20 30 EFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000177499477 265940859 /nfs/dbraw/zinc/94/08/59/265940859.db2.gz LOODATQAZSKXGP-UHFFFAOYSA-N -1 0 341.396 2.685 20 30 EFEDRM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000291804401 266121005 /nfs/dbraw/zinc/12/10/05/266121005.db2.gz BQHKQHPSKQCKBW-UHFFFAOYSA-N -1 0 348.403 2.739 20 30 EFEDRM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)o1)O[C@@H](C)C2 ZINC000288517427 266309834 /nfs/dbraw/zinc/30/98/34/266309834.db2.gz VSNJZDDRZLASGV-JTQLQIEISA-N -1 0 348.380 2.674 20 30 EFEDRM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1C#N ZINC000494589982 267131166 /nfs/dbraw/zinc/13/11/66/267131166.db2.gz LRORFVMZLZLSQQ-UHFFFAOYSA-N -1 0 349.368 2.829 20 30 EFEDRM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000288685013 267187106 /nfs/dbraw/zinc/18/71/06/267187106.db2.gz UXLSVVCARCEKQE-LURJTMIESA-N -1 0 346.252 2.806 20 30 EFEDRM CCn1nc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1C1CC1 ZINC000277550111 267195158 /nfs/dbraw/zinc/19/51/58/267195158.db2.gz HPGPSDQGOBWHSQ-UHFFFAOYSA-N -1 0 330.413 2.761 20 30 EFEDRM CCn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cn1 ZINC000443402199 267252553 /nfs/dbraw/zinc/25/25/53/267252553.db2.gz XBPRMRPJYVBRDZ-UHFFFAOYSA-N -1 0 344.318 2.594 20 30 EFEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1F ZINC000276816919 267328340 /nfs/dbraw/zinc/32/83/40/267328340.db2.gz FJEHDMLJFLXJIP-UHFFFAOYSA-N -1 0 338.339 2.546 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1C#N ZINC000324216443 267360361 /nfs/dbraw/zinc/36/03/61/267360361.db2.gz UJQZAVNSZHDHNL-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C)c1O ZINC000172816165 267433891 /nfs/dbraw/zinc/43/38/91/267433891.db2.gz OBVRTWGEGPGADY-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1Oc1ccccc1 ZINC000187810886 268014972 /nfs/dbraw/zinc/01/49/72/268014972.db2.gz IZOIXMAPATXIPT-UHFFFAOYSA-N -1 0 340.364 2.874 20 30 EFEDRM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000491091246 268024277 /nfs/dbraw/zinc/02/42/77/268024277.db2.gz HGZCBWMNKQKNAT-KHPPLWFESA-N -1 0 340.404 2.526 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c2c(nn1C(C)C)CCC2 ZINC000471906138 268031173 /nfs/dbraw/zinc/03/11/73/268031173.db2.gz GZDKZWSWGRCGTA-UHFFFAOYSA-N -1 0 344.440 2.934 20 30 EFEDRM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000451070286 268071321 /nfs/dbraw/zinc/07/13/21/268071321.db2.gz NVKDLAQNWWVTPU-UHFFFAOYSA-N -1 0 349.387 2.989 20 30 EFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3(C)C)cc1C#N ZINC000530140882 268086300 /nfs/dbraw/zinc/08/63/00/268086300.db2.gz MSSYATOFRMIWTA-UHFFFAOYSA-N -1 0 343.408 2.733 20 30 EFEDRM N#Cc1c(F)cccc1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000489609626 268162484 /nfs/dbraw/zinc/16/24/84/268162484.db2.gz WKVUPFSHGKZDER-SREVYHEPSA-N -1 0 340.339 2.986 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)o1 ZINC000288564131 268208259 /nfs/dbraw/zinc/20/82/59/268208259.db2.gz ZYGBBULWQFHIAE-OAHLLOKOSA-N -1 0 348.380 2.510 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)o1 ZINC000288475133 268208279 /nfs/dbraw/zinc/20/82/79/268208279.db2.gz KVHDVBNMGBNWQV-OAHLLOKOSA-N -1 0 348.380 2.510 20 30 EFEDRM N#Cc1cccc(C=CC(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000492884421 268267646 /nfs/dbraw/zinc/26/76/46/268267646.db2.gz YOHZLDFBYOAWFV-BQYQJAHWSA-N -1 0 331.335 2.701 20 30 EFEDRM N#Cc1cc(F)c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000281719879 273463007 /nfs/dbraw/zinc/46/30/07/273463007.db2.gz DASHBIFCTLQGFQ-UHFFFAOYSA-N -1 0 347.287 2.731 20 30 EFEDRM CC(C)(C)CC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000362216370 278321885 /nfs/dbraw/zinc/32/18/85/278321885.db2.gz LUQADFYOUMZXRX-ZDUSSCGKSA-N -1 0 344.477 2.659 20 30 EFEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000123437777 292980265 /nfs/dbraw/zinc/98/02/65/292980265.db2.gz RQCWHJFIWDURQK-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c(F)c1 ZINC000128021591 293088449 /nfs/dbraw/zinc/08/84/49/293088449.db2.gz HSYVCWRAHLNAFK-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000129875755 293146254 /nfs/dbraw/zinc/14/62/54/293146254.db2.gz FKTURYRVLJQFOM-UHFFFAOYSA-N -1 0 348.334 2.822 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)cc1Br ZINC000153178846 293364606 /nfs/dbraw/zinc/36/46/06/293364606.db2.gz XKBMGJJNLFUXDX-UHFFFAOYSA-N -1 0 344.172 2.785 20 30 EFEDRM COc1ccc(=NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[n-]n1 ZINC000329141036 295063886 /nfs/dbraw/zinc/06/38/86/295063886.db2.gz UABGOESWMWUILD-GFCCVEGCSA-N -1 0 328.372 2.535 20 30 EFEDRM COc1ccc(SCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000444643020 295202611 /nfs/dbraw/zinc/20/26/11/295202611.db2.gz BWTBHSKESJRVTB-UHFFFAOYSA-N -1 0 341.396 2.673 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000337769596 295379424 /nfs/dbraw/zinc/37/94/24/295379424.db2.gz NUUVKGPSVWBZQU-UHFFFAOYSA-N -1 0 346.412 2.679 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000263297603 300473972 /nfs/dbraw/zinc/47/39/72/300473972.db2.gz ZSLMTQQRNKPNND-UWVGGRQHSA-N -1 0 331.322 2.932 20 30 EFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000179028468 300911931 /nfs/dbraw/zinc/91/19/31/300911931.db2.gz REYMLEAAXUDARO-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM Cc1c(Cl)cnc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1C#N ZINC000263558071 300963082 /nfs/dbraw/zinc/96/30/82/300963082.db2.gz PMGYOPBQRFKRSY-RKDXNWHRSA-N -1 0 333.697 2.614 20 30 EFEDRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130303148 301227004 /nfs/dbraw/zinc/22/70/04/301227004.db2.gz YQIOWIQOFCEBSR-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM N#CC1(F)CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436713359 303144570 /nfs/dbraw/zinc/14/45/70/303144570.db2.gz JCUDEJCJKWGMEK-UHFFFAOYSA-N -1 0 345.143 2.762 20 30 EFEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)[n-]c1C#N ZINC000075555084 303216218 /nfs/dbraw/zinc/21/62/18/303216218.db2.gz LDBDLQUSIZWMNG-NXEZZACHSA-N -1 0 345.284 2.914 20 30 EFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137189575 310667820 /nfs/dbraw/zinc/66/78/20/310667820.db2.gz MFMXYDWAOPCCQH-UHFFFAOYSA-N -1 0 329.381 2.626 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1C ZINC000160150937 310695206 /nfs/dbraw/zinc/69/52/06/310695206.db2.gz MYHFIIPLKQJGOM-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)ccc1Cl ZINC000164561541 310731190 /nfs/dbraw/zinc/73/11/90/310731190.db2.gz DURDVJJPAXFUCN-UHFFFAOYSA-N -1 0 343.195 2.643 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000326224337 311243926 /nfs/dbraw/zinc/24/39/26/311243926.db2.gz TXZXUQROELDBOQ-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(F)c1 ZINC000547436336 318007586 /nfs/dbraw/zinc/00/75/86/318007586.db2.gz YAPNBVPGRDZJHX-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c2ncccc12 ZINC000547434332 318007947 /nfs/dbraw/zinc/00/79/47/318007947.db2.gz LCAZFWIDNITRDY-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000547822583 318045990 /nfs/dbraw/zinc/04/59/90/318045990.db2.gz PHCXIJFNXFIWEZ-UHFFFAOYSA-N -1 0 342.336 2.749 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000547887871 318051376 /nfs/dbraw/zinc/05/13/76/318051376.db2.gz CAXNSHJUODRQDV-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)cc1F)(C1CC1)C(F)(F)F ZINC000548145809 318077911 /nfs/dbraw/zinc/07/79/11/318077911.db2.gz ANBAGZROFCQXCY-GFCCVEGCSA-N -1 0 336.310 2.707 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000548544930 318118596 /nfs/dbraw/zinc/11/85/96/318118596.db2.gz YFMUCNROZNQGGW-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cncc(C#N)c2)sc1C(F)(F)F ZINC000558595297 318476596 /nfs/dbraw/zinc/47/65/96/318476596.db2.gz KZMONCONBCVDBG-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM CCC[C@@H](CC)S(=O)(=O)[N-]c1nn(-c2ccc(C#N)cn2)cc1C ZINC000572769090 319702209 /nfs/dbraw/zinc/70/22/09/319702209.db2.gz OOSBALRPDIQLFL-CQSZACIVSA-N -1 0 347.444 2.768 20 30 EFEDRM CC(=Cc1cc2c(c(Cl)c1)OCO2)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000574388122 319857422 /nfs/dbraw/zinc/85/74/22/319857422.db2.gz ITTQJCIGLRYMGL-BAQGIRSFSA-N -1 0 329.743 2.893 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(Oc3ccccc3)cn2)[n-]c1C#N ZINC000576423848 320014555 /nfs/dbraw/zinc/01/45/55/320014555.db2.gz JZDFOLTWCORLOT-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM C[C@H](O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(=O)[O-] ZINC000576814379 320050674 /nfs/dbraw/zinc/05/06/74/320050674.db2.gz SISVDSYPHYJHQI-UTLUCORTSA-N -1 0 336.413 2.561 20 30 EFEDRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000576814376 320050806 /nfs/dbraw/zinc/05/08/06/320050806.db2.gz SISVDSYPHYJHQI-BBBLOLIVSA-N -1 0 336.413 2.561 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)c1C#N ZINC000578039674 320168116 /nfs/dbraw/zinc/16/81/16/320168116.db2.gz WJNIXGLLPNHTJI-ZDUSSCGKSA-N -1 0 347.378 2.799 20 30 EFEDRM CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccc(C#N)c1 ZINC000180979107 323223953 /nfs/dbraw/zinc/22/39/53/323223953.db2.gz VXWBIFJWCOKIPW-UHFFFAOYSA-N -1 0 336.326 2.865 20 30 EFEDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000181146245 323228824 /nfs/dbraw/zinc/22/88/24/323228824.db2.gz MPLKLOSHKWRPJI-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)ccc1[N+](=O)[O-] ZINC000181147218 323228837 /nfs/dbraw/zinc/22/88/37/323228837.db2.gz TWEXRDHYTJDGHP-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000181790610 323250820 /nfs/dbraw/zinc/25/08/20/323250820.db2.gz MOTAOTBCYQSKAC-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000181880380 323253973 /nfs/dbraw/zinc/25/39/73/323253973.db2.gz LGEPTLBOSULLEB-UHFFFAOYSA-N -1 0 345.366 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)s1 ZINC000580402774 324154790 /nfs/dbraw/zinc/15/47/90/324154790.db2.gz PUMAWHNNSBPOPL-LBPRGKRZSA-N -1 0 334.422 2.924 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000581027443 324290382 /nfs/dbraw/zinc/29/03/82/324290382.db2.gz JAYPXAAOIJHYGV-UHFFFAOYSA-N -1 0 349.412 2.794 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000583935241 324898769 /nfs/dbraw/zinc/89/87/69/324898769.db2.gz ZFZIJYYYVJYSLT-AAEUAGOBSA-N -1 0 331.372 2.531 20 30 EFEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ncc(C#N)s3)ccc2O1 ZINC000610725241 450313335 /nfs/dbraw/zinc/31/33/35/450313335.db2.gz PNNPQIBBMJMXND-UHFFFAOYSA-N -1 0 335.410 2.529 20 30 EFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc(C)c1 ZINC000042324320 472129095 /nfs/dbraw/zinc/12/90/95/472129095.db2.gz OPQMSIPTYWYPGU-CMDGGOBGSA-N -1 0 333.413 2.704 20 30 EFEDRM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000058405029 472564209 /nfs/dbraw/zinc/56/42/09/472564209.db2.gz JXTYXVFGADXEPM-NYYWCZLTSA-N -1 0 345.376 2.652 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)c1C#N ZINC000137553935 473208586 /nfs/dbraw/zinc/20/85/86/473208586.db2.gz PGCKQIWFTMYYEM-UHFFFAOYSA-N -1 0 341.392 2.552 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000096003070 473251535 /nfs/dbraw/zinc/25/15/35/473251535.db2.gz SVSIKPNIWQSKBM-KRWDZBQOSA-N -1 0 340.379 2.877 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000184858620 473255816 /nfs/dbraw/zinc/25/58/16/473255816.db2.gz QXRNBDZNZBCLCA-UHFFFAOYSA-N -1 0 338.772 2.727 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000184970924 473287575 /nfs/dbraw/zinc/28/75/75/473287575.db2.gz FZZNRMCGMOHNTA-UHFFFAOYSA-N -1 0 337.335 2.977 20 30 EFEDRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000171110739 473288836 /nfs/dbraw/zinc/28/88/36/473288836.db2.gz XRACFVYNTRKELJ-GFCCVEGCSA-N -1 0 337.383 2.991 20 30 EFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000177300253 473350516 /nfs/dbraw/zinc/35/05/16/473350516.db2.gz JGUMGDUSYVBHBL-UHFFFAOYSA-N -1 0 340.355 2.589 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)s1 ZINC000618602878 469401181 /nfs/dbraw/zinc/40/11/81/469401181.db2.gz SDUGSSLFLYLEHM-UHFFFAOYSA-N -1 0 331.781 2.749 20 30 EFEDRM Cc1csc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000083577145 473352610 /nfs/dbraw/zinc/35/26/10/473352610.db2.gz HSGIYVVPWPUBAU-UHFFFAOYSA-N -1 0 347.343 2.565 20 30 EFEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000083955628 473377232 /nfs/dbraw/zinc/37/72/32/473377232.db2.gz XPNNBAHWQDHFME-UHFFFAOYSA-N -1 0 336.442 2.862 20 30 EFEDRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000083955697 473377294 /nfs/dbraw/zinc/37/72/94/473377294.db2.gz PVXUFDZASXRQGS-UHFFFAOYSA-N -1 0 336.442 2.943 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000083956281 473378931 /nfs/dbraw/zinc/37/89/31/473378931.db2.gz JGASGAQBGKXHSY-UHFFFAOYSA-N -1 0 336.442 2.817 20 30 EFEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000125232316 473379070 /nfs/dbraw/zinc/37/90/70/473379070.db2.gz NUFHBIKDSGFNRR-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)o1 ZINC000340796468 474673938 /nfs/dbraw/zinc/67/39/38/474673938.db2.gz XKPPERWCIBZAMA-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM CCCc1n[n-]c(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000619786309 479884680 /nfs/dbraw/zinc/88/46/80/479884680.db2.gz OXRVTDYQLWPHHG-UHFFFAOYSA-N -1 0 335.820 2.759 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000358809596 475956606 /nfs/dbraw/zinc/95/66/06/475956606.db2.gz BPASTGYHNNQUAA-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM C=CC[C@@H](CC)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000393733656 476835389 /nfs/dbraw/zinc/83/53/89/476835389.db2.gz CSRUPIWAHBCBLY-CZUORRHYSA-N -1 0 329.400 2.818 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)ccc1C#N ZINC000435726502 477359086 /nfs/dbraw/zinc/35/90/86/477359086.db2.gz QENYTFJZNCYWGQ-UHFFFAOYSA-N -1 0 332.429 2.910 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000416958811 477387523 /nfs/dbraw/zinc/38/75/23/477387523.db2.gz PFEPMTSVMGIWIF-CYBMUJFWSA-N -1 0 338.820 2.878 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCC[C@@H]3C#N)s2)cc1 ZINC000613144507 479890695 /nfs/dbraw/zinc/89/06/95/479890695.db2.gz ZPCCLGROZLGEIK-KGLIPLIRSA-N -1 0 341.440 2.673 20 30 EFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033736713 471986688 /nfs/dbraw/zinc/98/66/88/471986688.db2.gz RCKDIFRIFWZYAM-KMKOMSMNSA-N -1 0 327.292 2.954 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)s1 ZINC000041508367 472066986 /nfs/dbraw/zinc/06/69/86/472066986.db2.gz WHKRLMNJOPDKHR-NSHDSACASA-N -1 0 328.397 2.759 20 30 EFEDRM N#CC(=C([O-])c1cnn2cccnc12)c1ccc(C(F)(F)F)cn1 ZINC000041552941 472068771 /nfs/dbraw/zinc/06/87/71/472068771.db2.gz MNIQDZSWOLMEFC-SNVBAGLBSA-N -1 0 331.257 2.633 20 30 EFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)nc(C)n1 ZINC000041559890 472069882 /nfs/dbraw/zinc/06/98/82/472069882.db2.gz IIRUIOLAGRQAIG-OAHLLOKOSA-N -1 0 335.342 2.908 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1 ZINC000054489738 472092946 /nfs/dbraw/zinc/09/29/46/472092946.db2.gz LCQMQVPGPJDBMD-LBPRGKRZSA-N -1 0 342.373 2.508 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)n1 ZINC000067898361 472106159 /nfs/dbraw/zinc/10/61/59/472106159.db2.gz AFCFEDFJVFNKMF-NSHDSACASA-N -1 0 345.336 2.718 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OC)c2)n1 ZINC000067895370 472106870 /nfs/dbraw/zinc/10/68/70/472106870.db2.gz AFMFUYPWPCRYEH-GFCCVEGCSA-N -1 0 330.365 2.818 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C#N)cc2)n1 ZINC000067895386 472106959 /nfs/dbraw/zinc/10/69/59/472106959.db2.gz JTRJGBWJTALMTR-LBPRGKRZSA-N -1 0 325.349 2.682 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1csc2c1CCCC2 ZINC000042291834 472127217 /nfs/dbraw/zinc/12/72/17/472127217.db2.gz MPOXLDHYRLVQNO-UHFFFAOYSA-N -1 0 340.426 2.925 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccc(OCc3ccccc3)cc2)[n-]c1C#N ZINC000026276305 472130082 /nfs/dbraw/zinc/13/00/82/472130082.db2.gz AYGJMSHNGCTHTO-UHFFFAOYSA-N -1 0 343.346 2.984 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccccc3C2)cc1C#N ZINC000027605415 472186031 /nfs/dbraw/zinc/18/60/31/472186031.db2.gz QBBPCEUNCDLALW-UHFFFAOYSA-N -1 0 325.393 2.579 20 30 EFEDRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000084505121 472186819 /nfs/dbraw/zinc/18/68/19/472186819.db2.gz KNBNNFSOATZXHI-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM COc1ccc(CN(C)C(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000027607309 472187593 /nfs/dbraw/zinc/18/75/93/472187593.db2.gz XPPKIKPPOIDYIH-UHFFFAOYSA-N -1 0 343.408 2.662 20 30 EFEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000055664085 472222200 /nfs/dbraw/zinc/22/22/00/472222200.db2.gz AXCHYGXJXNUADN-UHFFFAOYSA-N -1 0 348.399 2.851 20 30 EFEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000076081940 472264165 /nfs/dbraw/zinc/26/41/65/472264165.db2.gz ZSQLRTIMSFRNKI-UHFFFAOYSA-N -1 0 348.355 2.633 20 30 EFEDRM Cc1ccn2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2n1 ZINC000076100169 472271445 /nfs/dbraw/zinc/27/14/45/472271445.db2.gz XBEBKLAHLMGSME-LLVKDONJSA-N -1 0 345.284 2.942 20 30 EFEDRM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282958 472315836 /nfs/dbraw/zinc/31/58/36/472315836.db2.gz CPUWALFULUAOEE-CMPLNLGQSA-N -1 0 347.820 2.569 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCO2)cc1C ZINC000069282728 472316580 /nfs/dbraw/zinc/31/65/80/472316580.db2.gz PCGBRAHQZUOQMT-UONOGXRCSA-N -1 0 341.429 2.533 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC#N)CC2CC2)n1 ZINC000088406591 472362446 /nfs/dbraw/zinc/36/24/46/472362446.db2.gz XRCRPUMVYQJQFF-UHFFFAOYSA-N -1 0 338.411 2.906 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3ccccc3)CC2)cc1C#N ZINC000031895820 472401093 /nfs/dbraw/zinc/40/10/93/472401093.db2.gz GFYGEZKUISNKQN-UHFFFAOYSA-N -1 0 339.420 2.842 20 30 EFEDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc12 ZINC000089267654 472403694 /nfs/dbraw/zinc/40/36/94/472403694.db2.gz KZHXEJPFXDKVNQ-UHFFFAOYSA-N -1 0 347.787 2.592 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C=Cc1cc(Br)cs1 ZINC000089284971 472406601 /nfs/dbraw/zinc/40/66/01/472406601.db2.gz VFQCFXNSWPQUFH-ONEGZZNKSA-N -1 0 336.232 2.996 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076936485 472426983 /nfs/dbraw/zinc/42/69/83/472426983.db2.gz AOEQMEXNBRKECH-AWEZNQCLSA-N -1 0 338.429 2.656 20 30 EFEDRM Cc1cscc1C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000097083178 472437764 /nfs/dbraw/zinc/43/77/64/472437764.db2.gz GOHPLGKKXVFPSG-UHFFFAOYSA-N -1 0 327.431 2.603 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccnc(OC3CCCCC3)c2)[n-]c1C#N ZINC000089435915 472439319 /nfs/dbraw/zinc/43/93/19/472439319.db2.gz DOLAJRGULRGATA-UHFFFAOYSA-N -1 0 336.355 2.512 20 30 EFEDRM Cc1[nH]nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1C#N ZINC000097101550 472447581 /nfs/dbraw/zinc/44/75/81/472447581.db2.gz LOMZLMWTPHPENQ-UHFFFAOYSA-N -1 0 344.318 2.551 20 30 EFEDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)o1 ZINC000045774315 472459759 /nfs/dbraw/zinc/45/97/59/472459759.db2.gz ZBERIDDXCDOVQV-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc(C)n1 ZINC000097140403 472460232 /nfs/dbraw/zinc/46/02/32/472460232.db2.gz ZKSZOJXEXMNDOQ-UHFFFAOYSA-N -1 0 336.804 2.673 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)ccc1OC(C)C ZINC000117740801 472478605 /nfs/dbraw/zinc/47/86/05/472478605.db2.gz AMSFFJWWLKPHKD-UHFFFAOYSA-N -1 0 348.428 2.693 20 30 EFEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000117740650 472478774 /nfs/dbraw/zinc/47/87/74/472478774.db2.gz QSRSFMBCJDUNCD-UHFFFAOYSA-N -1 0 332.429 2.895 20 30 EFEDRM CC(C)(C)OC(=O)NCCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058078174 472503171 /nfs/dbraw/zinc/50/31/71/472503171.db2.gz IJAZARMWSLCTGW-UHFFFAOYSA-N -1 0 334.438 2.520 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2F)c1 ZINC000058186309 472514339 /nfs/dbraw/zinc/51/43/39/472514339.db2.gz OIJQNPSXSVGAMS-UHFFFAOYSA-N -1 0 327.308 2.667 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000155281099 472527087 /nfs/dbraw/zinc/52/70/87/472527087.db2.gz JLATVHZIDFWEQI-ZDUSSCGKSA-N -1 0 339.399 2.677 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000102115967 472565058 /nfs/dbraw/zinc/56/50/58/472565058.db2.gz IIYVFNHEGLZIDW-NSHDSACASA-N -1 0 336.307 2.970 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000046708517 472588820 /nfs/dbraw/zinc/58/88/20/472588820.db2.gz WXUOQZDBXXGUGZ-DHZHZOJOSA-N -1 0 332.337 2.953 20 30 EFEDRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130305304 472597406 /nfs/dbraw/zinc/59/74/06/472597406.db2.gz ZWXHWDKRSHLCGL-UHFFFAOYSA-N -1 0 349.393 2.989 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000130909631 472636780 /nfs/dbraw/zinc/63/67/80/472636780.db2.gz GRRWYGHXRGJYQF-AWEZNQCLSA-N -1 0 342.362 2.644 20 30 EFEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060442548 472656889 /nfs/dbraw/zinc/65/68/89/472656889.db2.gz PTKUKRQQYXEAQW-UHFFFAOYSA-N -1 0 326.299 2.971 20 30 EFEDRM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000060851453 472679700 /nfs/dbraw/zinc/67/97/00/472679700.db2.gz XKAVMUOIIRZRJP-ZDUSSCGKSA-N -1 0 339.355 2.711 20 30 EFEDRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000105389520 472751280 /nfs/dbraw/zinc/75/12/80/472751280.db2.gz LECOOOPZZWALLN-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1OC(C)C ZINC000105640316 472765900 /nfs/dbraw/zinc/76/59/00/472765900.db2.gz XNGAUPBHRUPSQO-XZVRFQMRSA-N -1 0 344.363 2.711 20 30 EFEDRM CCCS(=O)(=O)/N=C(\[O-])c1cc2c(C(C)C)nn(C)c2s1 ZINC000078948453 472794108 /nfs/dbraw/zinc/79/41/08/472794108.db2.gz TZVGRALENBSUBF-UHFFFAOYSA-N -1 0 329.447 2.803 20 30 EFEDRM O=S(=O)([N-]c1cccc(C#Cc2cccs2)c1)c1cn[nH]c1 ZINC000048232396 472836416 /nfs/dbraw/zinc/83/64/16/472836416.db2.gz PCTGNFJVWUCUSE-UHFFFAOYSA-N -1 0 329.406 2.672 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000064479160 472857266 /nfs/dbraw/zinc/85/72/66/472857266.db2.gz BOYUYEXVFHOSSP-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000048383104 472870600 /nfs/dbraw/zinc/87/06/00/472870600.db2.gz LZLMPQCEXNWBSH-UHFFFAOYSA-N -1 0 334.401 2.510 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000048422532 472876350 /nfs/dbraw/zinc/87/63/50/472876350.db2.gz LAVZOFNZRJUUDF-NSHDSACASA-N -1 0 342.417 2.553 20 30 EFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COc2cccc(C#N)c2)c1 ZINC000048472334 472880293 /nfs/dbraw/zinc/88/02/93/472880293.db2.gz CVFYMWBHIIYDBA-UHFFFAOYSA-N -1 0 344.392 2.899 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000157986876 472881420 /nfs/dbraw/zinc/88/14/20/472881420.db2.gz SQODCZHARBMJRL-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)cc1 ZINC000048503597 472883839 /nfs/dbraw/zinc/88/38/39/472883839.db2.gz GWCIPHMKTLZRHC-TWGQIWQCSA-N -1 0 337.360 2.789 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C)s1 ZINC000048528445 472885779 /nfs/dbraw/zinc/88/57/79/472885779.db2.gz ZZWQKNUDWDNBSV-VIFPVBQESA-N -1 0 348.446 2.615 20 30 EFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000048536514 472886172 /nfs/dbraw/zinc/88/61/72/472886172.db2.gz KTQQKYCAZOGDLT-LUAWRHEFSA-N -1 0 337.397 2.849 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccc(C(=O)NC)cc1 ZINC000073837992 472886685 /nfs/dbraw/zinc/88/66/85/472886685.db2.gz YYESBFMLARLWJR-DHZHZOJOSA-N -1 0 338.429 2.534 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)cc1 ZINC000048584977 472891474 /nfs/dbraw/zinc/89/14/74/472891474.db2.gz PJLZWKYBSXEPTM-BJMVGYQFSA-N -1 0 342.376 2.925 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000048600177 472892435 /nfs/dbraw/zinc/89/24/35/472892435.db2.gz AFXVFPLMZNTBJV-PBWFPOADSA-N -1 0 346.408 2.599 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1noc2c1CCCC2 ZINC000048613283 472893545 /nfs/dbraw/zinc/89/35/45/472893545.db2.gz MHUWBQCKWKROFW-UHFFFAOYSA-N -1 0 346.408 2.736 20 30 EFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)CC23CC4CC(CC(C4)C2)C3)cn1 ZINC000048646440 472895144 /nfs/dbraw/zinc/89/51/44/472895144.db2.gz QJUXQPYZXNLYNN-UHFFFAOYSA-N -1 0 337.445 2.672 20 30 EFEDRM CCCOc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000048676587 472898965 /nfs/dbraw/zinc/89/89/65/472898965.db2.gz OJEVPZFPVXWIJP-RMKNXTFCSA-N -1 0 349.412 2.568 20 30 EFEDRM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)ccc1C ZINC000134459657 472912053 /nfs/dbraw/zinc/91/20/53/472912053.db2.gz OTNZDLQSLDSZDB-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000107035464 472922523 /nfs/dbraw/zinc/92/25/23/472922523.db2.gz ZQHZVGRLFYYFQS-UHFFFAOYSA-N -1 0 341.396 2.514 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546667 472933590 /nfs/dbraw/zinc/93/35/90/472933590.db2.gz VWGRZVZCOZAMQL-UHFFFAOYSA-N -1 0 341.323 2.968 20 30 EFEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nnc2n1CCCCC2 ZINC000122102973 472975291 /nfs/dbraw/zinc/97/52/91/472975291.db2.gz DKLJBHYKHLRQNI-AWEZNQCLSA-N -1 0 338.415 2.806 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cn1C ZINC000108250899 473009532 /nfs/dbraw/zinc/00/95/32/473009532.db2.gz MTKKPOMUTKBXNP-UHFFFAOYSA-N -1 0 336.442 2.535 20 30 EFEDRM COc1cc(C)ccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000080423991 473027895 /nfs/dbraw/zinc/02/78/95/473027895.db2.gz XJKUYQANPYVVMI-UHFFFAOYSA-N -1 0 329.381 2.950 20 30 EFEDRM C=CCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000123120243 473099705 /nfs/dbraw/zinc/09/97/05/473099705.db2.gz RKGXMWBDJDEQHD-UHFFFAOYSA-N -1 0 342.848 2.894 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000110129414 473145338 /nfs/dbraw/zinc/14/53/38/473145338.db2.gz GEYABSRBSRJLSW-UWONZBIMSA-N -1 0 335.360 2.729 20 30 EFEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000066813944 473157257 /nfs/dbraw/zinc/15/72/57/473157257.db2.gz WETJQFJUEXOFOD-LLVKDONJSA-N -1 0 336.442 2.615 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCS[C@@H](C(C)C)C2)cc1C#N ZINC000075349313 473172710 /nfs/dbraw/zinc/17/27/10/473172710.db2.gz OATNEAXZKKUGRI-GFCCVEGCSA-N -1 0 337.470 2.594 20 30 EFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123765242 473181800 /nfs/dbraw/zinc/18/18/00/473181800.db2.gz SFURSSPBUGIQQQ-SECBINFHSA-N -1 0 344.820 2.517 20 30 EFEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1C ZINC000160940378 473193564 /nfs/dbraw/zinc/19/35/64/473193564.db2.gz UAAHGBONARLSAW-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM Cc1cc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)cc3)o2)c(C)o1 ZINC000163241445 473425193 /nfs/dbraw/zinc/42/51/93/473425193.db2.gz HOSVAIVNMHTNES-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1cnc2ccccc2n1 ZINC000190994975 473451304 /nfs/dbraw/zinc/45/13/04/473451304.db2.gz QLFUPYXCVAXZPN-ZDUSSCGKSA-N -1 0 340.346 2.701 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n[nH]c1C1CC1 ZINC000616949888 480039503 /nfs/dbraw/zinc/03/95/03/480039503.db2.gz VCKGKSMVWYFDPX-UHFFFAOYSA-N -1 0 340.767 2.752 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000114673816 473491693 /nfs/dbraw/zinc/49/16/93/473491693.db2.gz UZROZBGXLCUIKQ-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1)C(=O)[O-] ZINC000191281718 473523364 /nfs/dbraw/zinc/52/33/64/473523364.db2.gz SYCIKETXCLSIKE-BCPZQOPPSA-N -1 0 343.383 2.781 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1C#N ZINC000178608079 473537015 /nfs/dbraw/zinc/53/70/15/473537015.db2.gz OGJDRPAFTZYQEC-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000167727979 473540363 /nfs/dbraw/zinc/54/03/63/473540363.db2.gz CJXFNGQXTZVIPQ-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(Cl)c1 ZINC000169255966 473547264 /nfs/dbraw/zinc/54/72/64/473547264.db2.gz TWTPSHRPTRSICJ-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COC(=O)N1CCC([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000185917147 473547830 /nfs/dbraw/zinc/54/78/30/473547830.db2.gz MWYJHINNVIIVJQ-JDAJCMJVSA-N -1 0 335.360 2.586 20 30 EFEDRM C[C@@H](CSCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000178761606 473555700 /nfs/dbraw/zinc/55/57/00/473555700.db2.gz YFDIYENBQHLQAA-NSHDSACASA-N -1 0 325.397 2.661 20 30 EFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000170596531 473560036 /nfs/dbraw/zinc/56/00/36/473560036.db2.gz FQOGIWVKNJSKNV-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000191807892 473579878 /nfs/dbraw/zinc/57/98/78/473579878.db2.gz IRFAHDLIYUWPRW-UHFFFAOYSA-N -1 0 348.815 2.988 20 30 EFEDRM C[C@H]1C[C@H](C)CN(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)C1 ZINC000178937025 473594996 /nfs/dbraw/zinc/59/49/96/473594996.db2.gz OIHWLLHQVGKOTC-KBPBESRZSA-N -1 0 346.475 2.847 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000179027514 473614316 /nfs/dbraw/zinc/61/43/16/473614316.db2.gz FBYHFBACTPUYQF-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C=C(C)CN(CC)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153512364 473627792 /nfs/dbraw/zinc/62/77/92/473627792.db2.gz JYUPKNXCTDUSSQ-UHFFFAOYSA-N -1 0 332.448 2.767 20 30 EFEDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591702 473651706 /nfs/dbraw/zinc/65/17/06/473651706.db2.gz UFYDBDPFSBKTBE-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc2ccccc2o1 ZINC000179386623 473683377 /nfs/dbraw/zinc/68/33/77/473683377.db2.gz IDBFFBKHSZVKAB-AWEZNQCLSA-N -1 0 329.319 2.899 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1Cl ZINC000172834544 473690722 /nfs/dbraw/zinc/69/07/22/473690722.db2.gz PTDMNBMPTSXJQJ-UHFFFAOYSA-N -1 0 332.772 2.889 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c(Cl)c1 ZINC000186600284 473697284 /nfs/dbraw/zinc/69/72/84/473697284.db2.gz LWNMIGDQEPBWIZ-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc12 ZINC000186624317 473704487 /nfs/dbraw/zinc/70/44/87/473704487.db2.gz NZYVMLZFZBLKIE-UHFFFAOYSA-N -1 0 347.787 2.592 20 30 EFEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc2ccccc2o1 ZINC000179701825 473710219 /nfs/dbraw/zinc/71/02/19/473710219.db2.gz LDHKQZDJORNXOJ-CYBMUJFWSA-N -1 0 329.319 2.899 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000186701986 473733575 /nfs/dbraw/zinc/73/35/75/473733575.db2.gz LTAPCAVCBPLTQI-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263462095 473756753 /nfs/dbraw/zinc/75/67/53/473756753.db2.gz IYAOMNQOKXFALQ-LJQANCHMSA-N -1 0 335.407 2.767 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000245915024 473760334 /nfs/dbraw/zinc/76/03/34/473760334.db2.gz FFUSCMCEDZLZGD-BFHYXJOUSA-N -1 0 327.771 2.769 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1F ZINC000180024036 473779901 /nfs/dbraw/zinc/77/99/01/473779901.db2.gz ZSBCTRIZRWMUCZ-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM CCOc1ncccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186956604 473787627 /nfs/dbraw/zinc/78/76/27/473787627.db2.gz GZLGHFLXTHYYFY-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000187030556 473804774 /nfs/dbraw/zinc/80/47/74/473804774.db2.gz TYUPQCLHZZTTJC-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CC(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000187039535 473805438 /nfs/dbraw/zinc/80/54/38/473805438.db2.gz ZCLIHDVFVJNCRD-UHFFFAOYSA-N -1 0 326.765 2.519 20 30 EFEDRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000288145924 473858266 /nfs/dbraw/zinc/85/82/66/473858266.db2.gz BRYCTCYQTSMXJU-UHFFFAOYSA-N -1 0 336.369 2.748 20 30 EFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC000281873392 473866788 /nfs/dbraw/zinc/86/67/88/473866788.db2.gz CJYPLNYJRAXXLX-UHFFFAOYSA-N -1 0 346.412 2.585 20 30 EFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000187767356 473916233 /nfs/dbraw/zinc/91/62/33/473916233.db2.gz PGCGZANETMJZBI-UHFFFAOYSA-N -1 0 332.429 2.873 20 30 EFEDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2cccc(C#N)c2)o1 ZINC000194778328 473951489 /nfs/dbraw/zinc/95/14/89/473951489.db2.gz BYWDXDQJRMRJSW-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000180789536 473966493 /nfs/dbraw/zinc/96/64/93/473966493.db2.gz VCNKGSLRDAZGAM-SGTLLEGYSA-N -1 0 342.374 2.919 20 30 EFEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cn3)cc(Cl)c2O1 ZINC000174002272 473971887 /nfs/dbraw/zinc/97/18/87/473971887.db2.gz CICHSCKMHMVLJS-VIFPVBQESA-N -1 0 349.799 2.731 20 30 EFEDRM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188238893 474030221 /nfs/dbraw/zinc/03/02/21/474030221.db2.gz YDCIDYNOUBBIAA-UHFFFAOYSA-N -1 0 337.379 2.998 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nc2C2CCCCC2)C(=O)O1 ZINC000181386155 474030584 /nfs/dbraw/zinc/03/05/84/474030584.db2.gz IFEXQOLRYFPELH-IJDCCNJMSA-N -1 0 342.395 2.696 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1[O-] ZINC000188256035 474036133 /nfs/dbraw/zinc/03/61/33/474036133.db2.gz XQXKUGIOYXSAGR-UHFFFAOYSA-N -1 0 342.424 2.959 20 30 EFEDRM C=CCCS(=O)(=O)N(Cc1c(F)cccc1Cl)[C@H](C)C(=O)[O-] ZINC000275089321 474065412 /nfs/dbraw/zinc/06/54/12/474065412.db2.gz GMFXLOTVCSVKSA-SNVBAGLBSA-N -1 0 349.811 2.660 20 30 EFEDRM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188364860 474071332 /nfs/dbraw/zinc/07/13/32/474071332.db2.gz UBFDQLKDZYDVST-UHFFFAOYSA-N -1 0 337.379 2.963 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)cc1[O-] ZINC000188369726 474073532 /nfs/dbraw/zinc/07/35/32/474073532.db2.gz MBYTXZPATJTAMR-UHFFFAOYSA-N -1 0 348.362 2.792 20 30 EFEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC1CCC(C#N)CC1 ZINC000282513733 474092503 /nfs/dbraw/zinc/09/25/03/474092503.db2.gz ZDWKLMRPMFWBPV-UHFFFAOYSA-N -1 0 349.456 2.508 20 30 EFEDRM C=C[C@@](C)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 ZINC000288950550 474100562 /nfs/dbraw/zinc/10/05/62/474100562.db2.gz PCGNCHJMLPYAGP-ROUUACIJSA-N -1 0 340.383 2.645 20 30 EFEDRM Cc1nn(C)c(-n2cccn2)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000188719753 474176056 /nfs/dbraw/zinc/17/60/56/474176056.db2.gz WWBWVVDECRDJCY-GFCCVEGCSA-N -1 0 346.350 2.546 20 30 EFEDRM CCc1cc(=O)c2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2[nH]1 ZINC000188768240 474190363 /nfs/dbraw/zinc/19/03/63/474190363.db2.gz NSIXJDWFPUFFHF-UHFFFAOYSA-N -1 0 333.347 2.920 20 30 EFEDRM N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1O ZINC000188792871 474198763 /nfs/dbraw/zinc/19/87/63/474198763.db2.gz ACSLVXQJSJSTTL-MRXNPFEDSA-N -1 0 326.327 2.696 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000265579192 474259336 /nfs/dbraw/zinc/25/93/36/474259336.db2.gz PCEOHFZTZJVHOS-UHFFFAOYSA-N -1 0 348.428 2.632 20 30 EFEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000270817044 474279579 /nfs/dbraw/zinc/27/95/79/474279579.db2.gz QYQBLZMKMDBWEO-QPJJXVBHSA-N -1 0 345.355 2.656 20 30 EFEDRM CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)[C@@H](O)C(F)(F)F ZINC000270835753 474287324 /nfs/dbraw/zinc/28/73/24/474287324.db2.gz GZUUJWNZSBZSRW-WCBMZHEXSA-N -1 0 347.230 2.875 20 30 EFEDRM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000248530813 474347176 /nfs/dbraw/zinc/34/71/76/474347176.db2.gz FCHANWGVMKEILY-VIKVFOODSA-N -1 0 334.441 2.577 20 30 EFEDRM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nc2ccccc2o1 ZINC000183516401 474389465 /nfs/dbraw/zinc/38/94/65/474389465.db2.gz UVWSESDPFDYEOQ-KBPBESRZSA-N -1 0 349.346 2.881 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)nn1CCC#N ZINC000271058101 474390217 /nfs/dbraw/zinc/39/02/17/474390217.db2.gz KFLRUHSTKNQSPP-UHFFFAOYSA-N -1 0 330.822 2.621 20 30 EFEDRM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000189916804 474506344 /nfs/dbraw/zinc/50/63/44/474506344.db2.gz YSOQKYWGRJZRGT-MRVPVSSYSA-N -1 0 349.272 2.578 20 30 EFEDRM C=CCOc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000238082914 474530835 /nfs/dbraw/zinc/53/08/35/474530835.db2.gz UCJNTEOYZFPBEN-UHFFFAOYSA-N -1 0 325.364 2.922 20 30 EFEDRM CC(C)Oc1ccc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cc1Cl ZINC000283996623 474545407 /nfs/dbraw/zinc/54/54/07/474545407.db2.gz HDMDLLBLCRYPQR-SNAWJCMRSA-N -1 0 349.774 2.699 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC(C)C ZINC000290509121 474574836 /nfs/dbraw/zinc/57/48/36/474574836.db2.gz LMRSBJNBYXPFEG-UHFFFAOYSA-N -1 0 347.396 2.550 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)sc1Cl ZINC000190296071 474575196 /nfs/dbraw/zinc/57/51/96/474575196.db2.gz VXBQEVOKHFATBB-UHFFFAOYSA-N -1 0 330.822 2.621 20 30 EFEDRM C=CCc1cc(CNCc2nc(C(=O)[O-])cs2)cc(OC)c1O ZINC000277154765 474580155 /nfs/dbraw/zinc/58/01/55/474580155.db2.gz CXCWWUNERXWXEY-UHFFFAOYSA-N -1 0 334.397 2.574 20 30 EFEDRM N#Cc1c(F)cccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290747689 474584573 /nfs/dbraw/zinc/58/45/73/474584573.db2.gz SCTZSRNXOMDHBB-SNVBAGLBSA-N -1 0 329.297 2.592 20 30 EFEDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cncc(C#N)c3)sc2C1 ZINC000290889834 474587058 /nfs/dbraw/zinc/58/70/58/474587058.db2.gz CSQGMOVXMCUUAK-JTQLQIEISA-N -1 0 348.453 2.725 20 30 EFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000184821873 474614898 /nfs/dbraw/zinc/61/48/98/474614898.db2.gz CZIXCQXYMZUBNO-UHFFFAOYSA-N -1 0 344.392 2.932 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)ccc1C#N ZINC000278464870 474651462 /nfs/dbraw/zinc/65/14/62/474651462.db2.gz FXCJSFCVAYQZRL-UHFFFAOYSA-N -1 0 336.442 2.718 20 30 EFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCN(C3CCCCC3)C2=O)s1 ZINC000629086335 480119659 /nfs/dbraw/zinc/11/96/59/480119659.db2.gz LNNBJXBFVIDFJE-GFCCVEGCSA-N -1 0 338.502 2.584 20 30 EFEDRM C=CCSCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344373163 474698441 /nfs/dbraw/zinc/69/84/41/474698441.db2.gz JWDJTXNBONCQEC-UHFFFAOYSA-N -1 0 327.805 2.816 20 30 EFEDRM C=CCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000291869936 474726717 /nfs/dbraw/zinc/72/67/17/474726717.db2.gz LFJYRUZDHCRRMS-UHFFFAOYSA-N -1 0 348.218 2.855 20 30 EFEDRM Cc1nnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000337142304 474735275 /nfs/dbraw/zinc/73/52/75/474735275.db2.gz TYPVCICYEJLMAD-UHFFFAOYSA-N -1 0 348.331 2.538 20 30 EFEDRM COc1cncc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000337179701 474760753 /nfs/dbraw/zinc/76/07/53/474760753.db2.gz LRGQIHLKVKBAPB-UHFFFAOYSA-N -1 0 349.437 2.897 20 30 EFEDRM CCc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000291944454 474765276 /nfs/dbraw/zinc/76/52/76/474765276.db2.gz NOSIGWSSVOKCTH-UHFFFAOYSA-N -1 0 339.804 2.549 20 30 EFEDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340933533 474793107 /nfs/dbraw/zinc/79/31/07/474793107.db2.gz FTRYPFIRVMHRPP-UHFFFAOYSA-N -1 0 342.380 2.755 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000344811279 474793889 /nfs/dbraw/zinc/79/38/89/474793889.db2.gz UZNBAIQTNIZZHW-LBPRGKRZSA-N -1 0 349.437 2.581 20 30 EFEDRM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc21 ZINC000340939363 474799055 /nfs/dbraw/zinc/79/90/55/474799055.db2.gz NKWKXVWCGJONEC-UHFFFAOYSA-N -1 0 345.380 2.553 20 30 EFEDRM C=C(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000344885242 474804925 /nfs/dbraw/zinc/80/49/25/474804925.db2.gz OLCXWUGZKJONGE-UHFFFAOYSA-N -1 0 336.344 2.726 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307969008 474817028 /nfs/dbraw/zinc/81/70/28/474817028.db2.gz VPGUCSHFBHIDSD-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)o1 ZINC000340980888 474843417 /nfs/dbraw/zinc/84/34/17/474843417.db2.gz YWEWSYJRTLEOLJ-UHFFFAOYSA-N -1 0 336.756 2.734 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cn1 ZINC000273378180 474868722 /nfs/dbraw/zinc/86/87/22/474868722.db2.gz FJORDIKKFZCVGF-LBPRGKRZSA-N -1 0 347.396 2.572 20 30 EFEDRM CC(C)(CC#N)CNS(=O)(=O)c1ccc(Br)s1 ZINC000315607998 474873651 /nfs/dbraw/zinc/87/36/51/474873651.db2.gz NUSKDWSTIXBXKI-UHFFFAOYSA-N -1 0 337.264 2.729 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cccc(Br)c1)C(=O)[O-] ZINC000315901562 474874388 /nfs/dbraw/zinc/87/43/88/474874388.db2.gz MSWIXZUIWGWOFO-GFCCVEGCSA-N -1 0 341.205 2.668 20 30 EFEDRM COc1ccc2c(O)c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cnc2c1 ZINC000339050901 474880814 /nfs/dbraw/zinc/88/08/14/474880814.db2.gz AAZGQSBAWXKJSO-LBPRGKRZSA-N -1 0 347.374 2.899 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000319442991 474900003 /nfs/dbraw/zinc/90/00/03/474900003.db2.gz HISVQGZLYDARJF-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C)ccc1O ZINC000273450850 474904272 /nfs/dbraw/zinc/90/42/72/474904272.db2.gz HJARCDWOZDAOGB-UHFFFAOYSA-N -1 0 341.367 2.774 20 30 EFEDRM CC(C)(CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CC1 ZINC000339107699 474934599 /nfs/dbraw/zinc/93/45/99/474934599.db2.gz PPTIFJFNUMOCQS-UHFFFAOYSA-N -1 0 328.384 2.941 20 30 EFEDRM CC[C@@H](C#N)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000278950646 474937862 /nfs/dbraw/zinc/93/78/62/474937862.db2.gz CZKOHHMZJYBRKH-VIFPVBQESA-N -1 0 338.289 2.629 20 30 EFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000323774839 474955391 /nfs/dbraw/zinc/95/53/91/474955391.db2.gz YONQDHNHLXJFPK-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000323855137 474956538 /nfs/dbraw/zinc/95/65/38/474956538.db2.gz AEIKHKZDUMGJOL-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000324395125 474966880 /nfs/dbraw/zinc/96/68/80/474966880.db2.gz NWNBDSWNNUPRDV-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM CCO[C@H](C)c1ncc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)s1 ZINC000345182447 474969900 /nfs/dbraw/zinc/96/99/00/474969900.db2.gz AVDJZNFTPPCJFE-SNVBAGLBSA-N -1 0 333.417 2.564 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324661134 474975139 /nfs/dbraw/zinc/97/51/39/474975139.db2.gz GKVJBRHJTREACY-UHFFFAOYSA-N -1 0 331.328 2.830 20 30 EFEDRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000293444837 474982787 /nfs/dbraw/zinc/98/27/87/474982787.db2.gz XCZDLGSKCSXLBW-CHWSQXEVSA-N -1 0 349.456 2.971 20 30 EFEDRM N#Cc1cccc(CNC(=O)c2cccc(Br)c2[O-])c1 ZINC000609287369 480138648 /nfs/dbraw/zinc/13/86/48/480138648.db2.gz MZSCVYAOCOARRV-UHFFFAOYSA-N -1 0 331.169 2.956 20 30 EFEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339192439 475023727 /nfs/dbraw/zinc/02/37/27/475023727.db2.gz FDCYWZQIANUZAE-UHFFFAOYSA-N -1 0 332.356 2.964 20 30 EFEDRM CSc1nc(=NC(=O)N2CC[C@@H](C3CCOCC3)C2)s[n-]1 ZINC000328586498 475032031 /nfs/dbraw/zinc/03/20/31/475032031.db2.gz NQWWUOGBDIYGME-SNVBAGLBSA-N -1 0 328.463 2.554 20 30 EFEDRM COCCOCc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000345275080 475050861 /nfs/dbraw/zinc/05/08/61/475050861.db2.gz UHEJGCJRZDNYIF-SOFGYWHQSA-N -1 0 338.363 2.985 20 30 EFEDRM Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cccc(Cl)c2[O-])CC(=O)N1C ZINC000328925406 475057349 /nfs/dbraw/zinc/05/73/49/475057349.db2.gz DUUOCOPLSXUYRO-LKFCYVNXSA-N -1 0 348.790 2.587 20 30 EFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC000261845129 475082955 /nfs/dbraw/zinc/08/29/55/475082955.db2.gz WDPYWYRBWWTZDS-QMMMGPOBSA-N -1 0 340.177 2.505 20 30 EFEDRM COCCN(C)c1ccc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)cn1 ZINC000286945893 475087451 /nfs/dbraw/zinc/08/74/51/475087451.db2.gz AHLNRWLFFOPHSW-UKTHLTGXSA-N -1 0 342.370 2.831 20 30 EFEDRM Cc1cccc(C)c1NC(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000329630601 475100526 /nfs/dbraw/zinc/10/05/26/475100526.db2.gz HZQDIKDVJCWAKZ-UHFFFAOYSA-N -1 0 329.404 2.595 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000261990658 475139725 /nfs/dbraw/zinc/13/97/25/475139725.db2.gz CUCXUTQYUQEMKO-JKSUJKDBSA-N -1 0 342.395 2.550 20 30 EFEDRM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCCOCC2)s[n-]1 ZINC000329966380 475174433 /nfs/dbraw/zinc/17/44/33/475174433.db2.gz RUJSVJFMNYBUET-SNVBAGLBSA-N -1 0 338.458 2.892 20 30 EFEDRM C=CCOc1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1OC ZINC000262187778 475194771 /nfs/dbraw/zinc/19/47/71/475194771.db2.gz SKCCCUBLHHNTMJ-UHFFFAOYSA-N -1 0 335.400 2.881 20 30 EFEDRM Cc1cc(N=C([O-])[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cn(C)c1=O ZINC000330192807 475210062 /nfs/dbraw/zinc/21/00/62/475210062.db2.gz NXEZJSKPEDDWSD-GJZGRUSLSA-N -1 0 340.379 2.857 20 30 EFEDRM CC(C)Oc1ccc(=NC(=O)NC2(c3nccs3)CCCC2)[n-]n1 ZINC000330240774 475216771 /nfs/dbraw/zinc/21/67/71/475216771.db2.gz ITWFFLCBXAHPQE-UHFFFAOYSA-N -1 0 347.444 2.938 20 30 EFEDRM C=CCc1cc(C(=O)N(CC(=O)[O-])CC(C)C)cc(OC)c1OC ZINC000262358604 475225141 /nfs/dbraw/zinc/22/51/41/475225141.db2.gz CPUBJXPKVIYJIF-UHFFFAOYSA-N -1 0 335.400 2.615 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)s1 ZINC000330343301 475233052 /nfs/dbraw/zinc/23/30/52/475233052.db2.gz BVILNRFJNPRJAT-DGCLKSJQSA-N -1 0 326.466 2.546 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc([N+](=O)[O-])c1C ZINC000361183046 475251642 /nfs/dbraw/zinc/25/16/42/475251642.db2.gz MNRMRAGPWAUMBA-CYBMUJFWSA-N -1 0 340.339 2.809 20 30 EFEDRM CCCc1nc(=NC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)s[n-]1 ZINC000330866726 475284459 /nfs/dbraw/zinc/28/44/59/475284459.db2.gz VLFFRCJNMXQMFM-NSHDSACASA-N -1 0 336.465 2.740 20 30 EFEDRM CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C1CCOCC1 ZINC000330990358 475299822 /nfs/dbraw/zinc/29/98/22/475299822.db2.gz HEMSXSKZUKIXGL-LLVKDONJSA-N -1 0 326.466 2.789 20 30 EFEDRM CC(C)Cc1n[n-]c(=NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)s1 ZINC000331111152 475310867 /nfs/dbraw/zinc/31/08/67/475310867.db2.gz BVILNRFJNPRJAT-WCQYABFASA-N -1 0 326.466 2.546 20 30 EFEDRM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000354678871 475333199 /nfs/dbraw/zinc/33/31/99/475333199.db2.gz WOKGBYZMZQVEJS-QMMMGPOBSA-N -1 0 342.289 2.846 20 30 EFEDRM CC(C)CC(=O)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000331161007 475317442 /nfs/dbraw/zinc/31/74/42/475317442.db2.gz CQVDIDMPPXXRQZ-UHFFFAOYSA-N -1 0 349.387 2.642 20 30 EFEDRM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000354678870 475334098 /nfs/dbraw/zinc/33/40/98/475334098.db2.gz WOKGBYZMZQVEJS-MRVPVSSYSA-N -1 0 342.289 2.846 20 30 EFEDRM CCc1oncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000337794690 475329181 /nfs/dbraw/zinc/32/91/81/475329181.db2.gz CMEGRWMFOIIHPP-UHFFFAOYSA-N -1 0 345.302 2.928 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c([N+](=O)[O-])c1 ZINC000337852971 475378427 /nfs/dbraw/zinc/37/84/27/475378427.db2.gz KADWZKXYLDCDDL-UHFFFAOYSA-N -1 0 331.353 2.770 20 30 EFEDRM CC(=Cc1ccc(-c2cnn(C)c2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000337861276 475386556 /nfs/dbraw/zinc/38/65/56/475386556.db2.gz NMLMIHVONJBUIP-POHAHGRESA-N -1 0 337.408 2.973 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000345773833 475439783 /nfs/dbraw/zinc/43/97/83/475439783.db2.gz BDAIQTUERMEULF-UHFFFAOYSA-N -1 0 326.352 2.617 20 30 EFEDRM N#CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000345782655 475447403 /nfs/dbraw/zinc/44/74/03/475447403.db2.gz RBQKQPCTFWYBRT-MRXNPFEDSA-N -1 0 326.327 2.838 20 30 EFEDRM Cc1ccc(-c2cc(=NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)o1 ZINC000352623330 475467925 /nfs/dbraw/zinc/46/79/25/475467925.db2.gz MIUKMIXJGZOKPI-HNNXBMFYSA-N -1 0 345.362 2.593 20 30 EFEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3cncc(C#N)c3)sc2C1 ZINC000332185333 475548091 /nfs/dbraw/zinc/54/80/91/475548091.db2.gz FKAXQQJWTCZBSZ-UHFFFAOYSA-N -1 0 348.453 2.725 20 30 EFEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000342442849 475601696 /nfs/dbraw/zinc/60/16/96/475601696.db2.gz AXOHELTUCWMBOB-SNVBAGLBSA-N -1 0 326.381 2.666 20 30 EFEDRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2C#N)cnn1CC(C)C ZINC000346482450 475609428 /nfs/dbraw/zinc/60/94/28/475609428.db2.gz NAVPYIQIKMTAGF-UHFFFAOYSA-N -1 0 332.429 2.828 20 30 EFEDRM N#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCCC1 ZINC000339918353 475611636 /nfs/dbraw/zinc/61/16/36/475611636.db2.gz DFQDKAWLTBOIBS-OAHLLOKOSA-N -1 0 342.374 2.919 20 30 EFEDRM Cn1cc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)cc1C#N ZINC000358375859 475629506 /nfs/dbraw/zinc/62/95/06/475629506.db2.gz ADIZHXDENOGFKE-UHFFFAOYSA-N -1 0 339.424 2.921 20 30 EFEDRM Cc1cc(=NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[n-]nc1C ZINC000348467209 475685084 /nfs/dbraw/zinc/68/50/84/475685084.db2.gz HPYDSMMLOWEXMB-UHFFFAOYSA-N -1 0 333.395 2.708 20 30 EFEDRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cn1 ZINC000358500491 475729471 /nfs/dbraw/zinc/72/94/71/475729471.db2.gz VABYJYJVEXIRTP-NSHDSACASA-N -1 0 346.412 2.671 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2n[nH]cc2c(C)c1 ZINC000361774745 475741473 /nfs/dbraw/zinc/74/14/73/475741473.db2.gz BRNXAGPOVWQBBR-UHFFFAOYSA-N -1 0 342.380 2.552 20 30 EFEDRM N#CCc1ccc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc1 ZINC000340162118 475813835 /nfs/dbraw/zinc/81/38/35/475813835.db2.gz RTVPXGJAVNZYRS-UHFFFAOYSA-N -1 0 334.404 2.869 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)c(C)c1 ZINC000348865964 475875770 /nfs/dbraw/zinc/87/57/70/475875770.db2.gz LAEMBKGSUWWJQE-UHFFFAOYSA-N -1 0 348.428 2.613 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)nn1CCC#N ZINC000348865936 475876356 /nfs/dbraw/zinc/87/63/56/475876356.db2.gz KSFLKKDOMJIPIA-ZDUSSCGKSA-N -1 0 332.429 2.651 20 30 EFEDRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC(C#N)CC2)s1 ZINC000348885448 475877840 /nfs/dbraw/zinc/87/78/40/475877840.db2.gz LXNBQCDARGIWIF-UHFFFAOYSA-N -1 0 345.403 2.842 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nn1CCC#N ZINC000348910471 475881262 /nfs/dbraw/zinc/88/12/62/475881262.db2.gz WMVWWBHBQGKQQK-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1CCC#N ZINC000348909968 475882270 /nfs/dbraw/zinc/88/22/70/475882270.db2.gz UPXLSFVXONASMG-UHFFFAOYSA-N -1 0 342.783 2.699 20 30 EFEDRM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1[N+](=O)[O-] ZINC000338577737 476023084 /nfs/dbraw/zinc/02/30/84/476023084.db2.gz ZBVSEXSQIQPSQL-GFCCVEGCSA-N -1 0 326.312 2.500 20 30 EFEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000350032581 476034911 /nfs/dbraw/zinc/03/49/11/476034911.db2.gz COMZIPRAGIWEIQ-UHFFFAOYSA-N -1 0 337.426 2.856 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000350032556 476035287 /nfs/dbraw/zinc/03/52/87/476035287.db2.gz CINXUIUIQOSMGB-UHFFFAOYSA-N -1 0 346.408 2.895 20 30 EFEDRM COc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)nn1C ZINC000362185186 476056811 /nfs/dbraw/zinc/05/68/11/476056811.db2.gz JAHMGSWHJPDVRK-JTQLQIEISA-N -1 0 338.289 2.641 20 30 EFEDRM C=CCN(CCc1ccco1)C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000353536253 476057207 /nfs/dbraw/zinc/05/72/07/476057207.db2.gz ZOLNPWLXDYQUQA-UHFFFAOYSA-N -1 0 345.790 2.660 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2S[C@H](C)C(N)=O)n1 ZINC000338620815 476062195 /nfs/dbraw/zinc/06/21/95/476062195.db2.gz AFPKPQBCRPMLRK-PWSUYJOCSA-N -1 0 345.449 2.908 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000355844306 476066373 /nfs/dbraw/zinc/06/63/73/476066373.db2.gz OIBURYOUSIPNJR-UHFFFAOYSA-N -1 0 344.392 2.869 20 30 EFEDRM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000336865496 476149053 /nfs/dbraw/zinc/14/90/53/476149053.db2.gz WGBQVKQBAPOQTA-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000302225452 476193388 /nfs/dbraw/zinc/19/33/88/476193388.db2.gz VKLGNXLQOMBUCG-UHFFFAOYSA-N -1 0 341.352 2.813 20 30 EFEDRM COc1cccc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000353797959 476277818 /nfs/dbraw/zinc/27/78/18/476277818.db2.gz OLOKNUPKKPZQOP-JTQLQIEISA-N -1 0 343.408 2.880 20 30 EFEDRM CO[C@@H](C)c1nc(=NC(=O)N[C@H](CCC#N)c2ccccc2)s[n-]1 ZINC000350717365 476293625 /nfs/dbraw/zinc/29/36/25/476293625.db2.gz RKOADMKLDNBZTB-WCQYABFASA-N -1 0 345.428 2.834 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1C#N ZINC000357248396 476304116 /nfs/dbraw/zinc/30/41/16/476304116.db2.gz DCKMHKGDQAWQMI-UHFFFAOYSA-N -1 0 348.337 2.634 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(C)c(Oc3ccncc3)c2)c1C#N ZINC000357263037 476308174 /nfs/dbraw/zinc/30/81/74/476308174.db2.gz SWASFLHMBKNMHQ-UHFFFAOYSA-N -1 0 333.351 2.760 20 30 EFEDRM COCc1ncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000353896806 476316667 /nfs/dbraw/zinc/31/66/67/476316667.db2.gz HUHJYCXBBDPMIV-JTQLQIEISA-N -1 0 326.381 2.964 20 30 EFEDRM N#Cc1cccc(C2(NC(=O)c3nn(-c4ccccc4)cc3[O-])CC2)c1 ZINC000357306730 476324661 /nfs/dbraw/zinc/32/46/61/476324661.db2.gz PFJWCCICWJEYSN-UHFFFAOYSA-N -1 0 344.374 2.869 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2cncc(C#N)c2)c(C)c1C ZINC000357329786 476333533 /nfs/dbraw/zinc/33/35/33/476333533.db2.gz NHBJJVVWRYHVIQ-UHFFFAOYSA-N -1 0 331.397 2.688 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)c2cncc(C#N)c2)c(Cl)cc1Cl ZINC000357391183 476354642 /nfs/dbraw/zinc/35/46/42/476354642.db2.gz PULFXHBUSGCANO-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM O=C([O-])CCOc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1 ZINC000377426135 476393568 /nfs/dbraw/zinc/39/35/68/476393568.db2.gz LUBCRAJXSWNHHD-CXUHLZMHSA-N -1 0 326.304 2.862 20 30 EFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000362765740 476396976 /nfs/dbraw/zinc/39/69/76/476396976.db2.gz MGJNSZUAIHXVLD-UHFFFAOYSA-N -1 0 340.335 2.591 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C#N)cc1N(C)C ZINC000357472839 476403996 /nfs/dbraw/zinc/40/39/96/476403996.db2.gz KXLUDHPOXRLXLX-UHFFFAOYSA-N -1 0 347.444 2.511 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000357479244 476407854 /nfs/dbraw/zinc/40/78/54/476407854.db2.gz XRAVNYYGHRBJJH-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccoc2CC(N)=O)s1 ZINC000354199164 476495786 /nfs/dbraw/zinc/49/57/86/476495786.db2.gz CQUDTHAINHRTSG-JTQLQIEISA-N -1 0 331.397 2.551 20 30 EFEDRM C=C(CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)c1ccccc1 ZINC000352190281 476537400 /nfs/dbraw/zinc/53/74/00/476537400.db2.gz BVMHOXMBURDZDU-UHFFFAOYSA-N -1 0 349.383 2.824 20 30 EFEDRM C=C(CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000352192149 476539283 /nfs/dbraw/zinc/53/92/83/476539283.db2.gz KCFCITDUIJORCY-UHFFFAOYSA-N -1 0 345.420 2.696 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)o1 ZINC000361127414 476619195 /nfs/dbraw/zinc/61/91/95/476619195.db2.gz ASHBZRNWVNVOQH-UHFFFAOYSA-N -1 0 348.771 2.791 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)o1 ZINC000361129175 476621173 /nfs/dbraw/zinc/62/11/73/476621173.db2.gz DHPVVQNHRFTTKV-UHFFFAOYSA-N -1 0 345.149 2.854 20 30 EFEDRM N#CC(=C([O-])c1csc(-c2ncccc2F)n1)c1ccncn1 ZINC000354467251 476677233 /nfs/dbraw/zinc/67/72/33/476677233.db2.gz KTODHMPYAZKBEO-VIFPVBQESA-N -1 0 325.328 2.624 20 30 EFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000422658448 476731149 /nfs/dbraw/zinc/73/11/49/476731149.db2.gz CYJBFNMUXNNHHW-OAHLLOKOSA-N -1 0 344.411 2.553 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000430329857 476811724 /nfs/dbraw/zinc/81/17/24/476811724.db2.gz HXFVUWVQFCQAOR-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)s1 ZINC000430326628 476811993 /nfs/dbraw/zinc/81/19/93/476811993.db2.gz XUHXPHKFMRHUKA-UHFFFAOYSA-N -1 0 346.393 2.779 20 30 EFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000391244719 476813295 /nfs/dbraw/zinc/81/32/95/476813295.db2.gz LQNHBMBWDLBUOI-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM C[C@@H](Oc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1)C(=O)[O-] ZINC000375581726 476903378 /nfs/dbraw/zinc/90/33/78/476903378.db2.gz KRZHZKAWTDDXDR-LYQMGENXSA-N -1 0 326.304 2.860 20 30 EFEDRM COc1cc(Cl)c(F)c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c1 ZINC000415261889 476911426 /nfs/dbraw/zinc/91/14/26/476911426.db2.gz ZWSYYPMEUWDFFR-UHFFFAOYSA-N -1 0 336.754 2.811 20 30 EFEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000446784811 476920350 /nfs/dbraw/zinc/92/03/50/476920350.db2.gz NZKIRSGWJHZXMH-UHFFFAOYSA-N -1 0 344.352 2.619 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000408513709 476956691 /nfs/dbraw/zinc/95/66/91/476956691.db2.gz NCGPYJPEVPSOCM-RBUKOAKNSA-N -1 0 348.402 2.829 20 30 EFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000447155595 476959647 /nfs/dbraw/zinc/95/96/47/476959647.db2.gz NCAPBTAYBWAZSH-LBPRGKRZSA-N -1 0 327.377 2.562 20 30 EFEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000366454879 477018463 /nfs/dbraw/zinc/01/84/63/477018463.db2.gz RBAPMDVOPBZTDT-UHFFFAOYSA-N -1 0 339.742 2.750 20 30 EFEDRM C=CCOc1cccnc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000431524973 477045639 /nfs/dbraw/zinc/04/56/39/477045639.db2.gz RQVZVOORWXBMCE-HNNXBMFYSA-N -1 0 340.379 2.553 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000431687856 477076461 /nfs/dbraw/zinc/07/64/61/477076461.db2.gz AESRCPFVPNVCOM-UHFFFAOYSA-N -1 0 337.408 2.620 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1C#N ZINC000431697524 477077083 /nfs/dbraw/zinc/07/70/83/477077083.db2.gz IMKUGLVFRFMSBX-QMMMGPOBSA-N -1 0 339.182 2.725 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c1C#N ZINC000431712042 477079655 /nfs/dbraw/zinc/07/96/55/477079655.db2.gz QFVSYGBSJIABOA-VXGBXAGGSA-N -1 0 345.200 2.516 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000431713827 477080587 /nfs/dbraw/zinc/08/05/87/477080587.db2.gz XBWATRBMKCJUPN-WDEREUQCSA-N -1 0 334.301 2.773 20 30 EFEDRM Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000431713825 477081565 /nfs/dbraw/zinc/08/15/65/477081565.db2.gz XBWATRBMKCJUPN-MNOVXSKESA-N -1 0 334.301 2.773 20 30 EFEDRM C[C@H](Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000431999496 477136479 /nfs/dbraw/zinc/13/64/79/477136479.db2.gz CUEKOFQPLWLDIL-CYBMUJFWSA-N -1 0 338.363 2.839 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2C2CC2)n1 ZINC000453632912 477257762 /nfs/dbraw/zinc/25/77/62/477257762.db2.gz WREKICLMKQPAHY-JTQLQIEISA-N -1 0 345.380 2.984 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CCOCC2)o1 ZINC000376274566 477262643 /nfs/dbraw/zinc/26/26/43/477262643.db2.gz OUBPNHXMYZLROO-QGZVFWFLSA-N -1 0 346.408 2.597 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s2)cc1 ZINC000433168436 477315151 /nfs/dbraw/zinc/31/51/51/477315151.db2.gz RSZQJCPFMRFLNA-UHFFFAOYSA-N -1 0 343.456 2.873 20 30 EFEDRM Cc1ccc(Cc2n[n-]c(=NC(=O)NCC3(C#N)CCC3)s2)cc1 ZINC000416820874 477324262 /nfs/dbraw/zinc/32/42/62/477324262.db2.gz UWEWPALLNVVROG-UHFFFAOYSA-N -1 0 341.440 2.675 20 30 EFEDRM Cc1nn(C)c(/C=C2\Oc3cc(O)ccc3C2=O)c1Br ZINC000376435549 477334066 /nfs/dbraw/zinc/33/40/66/477334066.db2.gz TVMWWJDZQVECGU-SDQBBNPISA-N -1 0 335.157 2.813 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435722245 477357864 /nfs/dbraw/zinc/35/78/64/477357864.db2.gz IEMFWBZVEOJICD-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)ccc1C#N ZINC000435732133 477360727 /nfs/dbraw/zinc/36/07/27/477360727.db2.gz NKWTWJFIYSCTLH-GFCCVEGCSA-N -1 0 330.413 2.835 20 30 EFEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000435732018 477360761 /nfs/dbraw/zinc/36/07/61/477360761.db2.gz NYLDJPATMJJHNN-UHFFFAOYSA-N -1 0 332.429 2.973 20 30 EFEDRM CSc1nc(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)s[n-]1 ZINC000416905320 477362952 /nfs/dbraw/zinc/36/29/52/477362952.db2.gz QKSUTWCQANWRAG-GFCCVEGCSA-N -1 0 345.453 2.753 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C#N)oc2C)n1 ZINC000435775156 477368761 /nfs/dbraw/zinc/36/87/61/477368761.db2.gz YGKUZHVTTRSXJQ-NSHDSACASA-N -1 0 329.337 2.583 20 30 EFEDRM C=CCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)[O-] ZINC000448990334 477374064 /nfs/dbraw/zinc/37/40/64/477374064.db2.gz GVWOXYXNQGADNS-NSHDSACASA-N -1 0 332.400 2.627 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000416933344 477375824 /nfs/dbraw/zinc/37/58/24/477375824.db2.gz ARHMZFHKKQFRQT-UONOGXRCSA-N -1 0 338.429 2.597 20 30 EFEDRM C=CCC[C@H](NC(=O)c1c(OC)ccc(SC)c1OC)C(=O)[O-] ZINC000448996219 477376863 /nfs/dbraw/zinc/37/68/63/477376863.db2.gz RTDYIXDFOSEATC-JTQLQIEISA-N -1 0 339.413 2.575 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000416936639 477376958 /nfs/dbraw/zinc/37/69/58/477376958.db2.gz HVNQUGOPPPDSNG-LLVKDONJSA-N -1 0 333.417 2.639 20 30 EFEDRM CCOc1ccc(Br)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416938918 477378948 /nfs/dbraw/zinc/37/89/48/477378948.db2.gz MAXHLVQMQMGEGG-SNVBAGLBSA-N -1 0 347.234 2.892 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000416937049 477379002 /nfs/dbraw/zinc/37/90/02/477379002.db2.gz IMUNVSXCSDPFST-AWEZNQCLSA-N -1 0 337.445 2.649 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)NC(C)C)ccc1Cl ZINC000416939209 477379117 /nfs/dbraw/zinc/37/91/17/477379117.db2.gz MPJUXJDQBRXECS-LLVKDONJSA-N -1 0 343.836 2.522 20 30 EFEDRM CCCc1c([N-]S(=O)(=O)[C@@H](C#N)CC)cnn1-c1ccccc1 ZINC000416942552 477379613 /nfs/dbraw/zinc/37/96/13/477379613.db2.gz BGOCGSGBHJPKNO-CQSZACIVSA-N -1 0 332.429 2.869 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000416941493 477379816 /nfs/dbraw/zinc/37/98/16/477379816.db2.gz QNGSYNMXTSCPPT-MRXNPFEDSA-N -1 0 349.456 2.747 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1C#N ZINC000424379668 477382808 /nfs/dbraw/zinc/38/28/08/477382808.db2.gz IQNXDMCPTCAWBK-UHFFFAOYSA-N -1 0 333.388 2.968 20 30 EFEDRM CCC(CC)(CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000424374306 477382940 /nfs/dbraw/zinc/38/29/40/477382940.db2.gz KWLOLZJTRAYUBY-UHFFFAOYSA-N -1 0 342.355 2.739 20 30 EFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(Br)c(F)c1 ZINC000416952549 477384091 /nfs/dbraw/zinc/38/40/91/477384091.db2.gz GWHAFRNXLDMLKT-SECBINFHSA-N -1 0 335.198 2.941 20 30 EFEDRM CC(C)C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000424428932 477403775 /nfs/dbraw/zinc/40/37/75/477403775.db2.gz YNHGVWGWRXIRDQ-INIZCTEOSA-N -1 0 343.427 2.979 20 30 EFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000455049620 477480799 /nfs/dbraw/zinc/48/07/99/477480799.db2.gz MMSJFIKNVNZNDC-XRMAHGQMSA-N -1 0 346.412 2.579 20 30 EFEDRM C=CCOc1ccc(CN=c2[n-]ncn2-c2cccnc2)cc1Cl ZINC000376745583 477485653 /nfs/dbraw/zinc/48/56/53/477485653.db2.gz GLIOWSZSLYJHQX-UHFFFAOYSA-N -1 0 341.802 2.915 20 30 EFEDRM COc1ccc(-c2n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s2)cc1 ZINC000455180839 477533509 /nfs/dbraw/zinc/53/35/09/477533509.db2.gz NJBUJJNOWYCKFV-UHFFFAOYSA-N -1 0 345.428 2.649 20 30 EFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1F ZINC000436931720 477638885 /nfs/dbraw/zinc/63/88/85/477638885.db2.gz KGKDITUERMVZNR-UHFFFAOYSA-N -1 0 328.343 2.692 20 30 EFEDRM N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000436966145 477652348 /nfs/dbraw/zinc/65/23/48/477652348.db2.gz MTTKXANKXONFHM-ZDUSSCGKSA-N -1 0 331.715 2.948 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000420272785 477656644 /nfs/dbraw/zinc/65/66/44/477656644.db2.gz IXTCGHVNPVRETD-NSHDSACASA-N -1 0 329.381 2.938 20 30 EFEDRM CCCc1nnc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451009139 477790317 /nfs/dbraw/zinc/79/03/17/477790317.db2.gz ZKESCZKVJLIMIE-UHFFFAOYSA-N -1 0 340.792 2.542 20 30 EFEDRM C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000428045480 477812231 /nfs/dbraw/zinc/81/22/31/477812231.db2.gz YQCAUKSQWSNKTE-ZDUSSCGKSA-N -1 0 327.384 2.767 20 30 EFEDRM CCCCc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)nc1 ZINC000451100743 477824464 /nfs/dbraw/zinc/82/44/64/477824464.db2.gz XFTQXJOAVZBUBN-UHFFFAOYSA-N -1 0 346.412 2.500 20 30 EFEDRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000451114922 477830686 /nfs/dbraw/zinc/83/06/86/477830686.db2.gz NAWXBECYWIPNIO-UHFFFAOYSA-N -1 0 348.380 2.610 20 30 EFEDRM CC1(C)C[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c2ccccc2O1 ZINC000515797461 477863399 /nfs/dbraw/zinc/86/33/99/477863399.db2.gz IWNTVPMMQJQSNW-ZDUSSCGKSA-N -1 0 336.395 2.864 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)sc1Cl ZINC000530492820 477886065 /nfs/dbraw/zinc/88/60/65/477886065.db2.gz XYQWGNMGRKWIIN-UHFFFAOYSA-N -1 0 327.818 2.972 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1C ZINC000531652997 477908093 /nfs/dbraw/zinc/90/80/93/477908093.db2.gz KJZDAQVAOYAHPH-UHFFFAOYSA-N -1 0 331.397 2.656 20 30 EFEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000558672061 477913141 /nfs/dbraw/zinc/91/31/41/477913141.db2.gz VFXGRRXEZVAFMQ-GFCCVEGCSA-N -1 0 349.268 2.772 20 30 EFEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(CC#N)ccn3)ccc2O1 ZINC000531906937 477913789 /nfs/dbraw/zinc/91/37/89/477913789.db2.gz OJGRNGINBSHARN-UHFFFAOYSA-N -1 0 343.408 2.662 20 30 EFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cc1 ZINC000532162733 477919741 /nfs/dbraw/zinc/91/97/41/477919741.db2.gz OCNKUCRPTJTOCM-UHFFFAOYSA-N -1 0 345.424 2.983 20 30 EFEDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000439153399 477937920 /nfs/dbraw/zinc/93/79/20/477937920.db2.gz PMHZHGXWJIATJP-UHFFFAOYSA-N -1 0 347.762 2.880 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000558879097 477939981 /nfs/dbraw/zinc/93/99/81/477939981.db2.gz SVTLMECGVBLADO-SNVBAGLBSA-N -1 0 331.459 2.743 20 30 EFEDRM CC(F)(F)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000559132197 477960174 /nfs/dbraw/zinc/96/01/74/477960174.db2.gz IHHFYXJXCFHGLD-UHFFFAOYSA-N -1 0 328.262 2.511 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccccn2)cc1C#N ZINC000516619930 477960581 /nfs/dbraw/zinc/96/05/81/477960581.db2.gz KSHKAVJTQFJMDU-CQSZACIVSA-N -1 0 340.408 2.753 20 30 EFEDRM CC#CCCNC(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000470511494 478006029 /nfs/dbraw/zinc/00/60/29/478006029.db2.gz GZTLXGNMZWWZGK-UHFFFAOYSA-N -1 0 326.381 2.908 20 30 EFEDRM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(C(=O)[O-])cn1 ZINC000494570830 478013444 /nfs/dbraw/zinc/01/34/44/478013444.db2.gz CRASBAKWECNIEC-UHFFFAOYSA-N -1 0 336.392 2.823 20 30 EFEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c(C(F)(F)F)o1 ZINC000472314905 478014585 /nfs/dbraw/zinc/01/45/85/478014585.db2.gz FUWFGRNHNPMXNE-UHFFFAOYSA-N -1 0 326.278 2.930 20 30 EFEDRM C=CCN=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2F)s1 ZINC000476508228 478019788 /nfs/dbraw/zinc/01/97/88/478019788.db2.gz NQGVLXCGIHXYMJ-UHFFFAOYSA-N -1 0 326.378 2.898 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000517008099 478033117 /nfs/dbraw/zinc/03/31/17/478033117.db2.gz DASXWSOPROSWSM-BBRMVZONSA-N -1 0 348.399 2.643 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1c(F)cccc1Cl)[C@H](C)C(=O)[O-] ZINC000517033930 478041939 /nfs/dbraw/zinc/04/19/39/478041939.db2.gz PNUOKVBHMDXYBK-SNVBAGLBSA-N -1 0 349.811 2.660 20 30 EFEDRM C=CCN=c1[n-]nc(SC[C@@H](O)Cc2cccc(Cl)c2)s1 ZINC000487965315 478094208 /nfs/dbraw/zinc/09/42/08/478094208.db2.gz DPYIJPTWDHXASH-LBPRGKRZSA-N -1 0 341.889 2.907 20 30 EFEDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000421501615 478112659 /nfs/dbraw/zinc/11/26/59/478112659.db2.gz LLBBOIYAVJMWSA-UHFFFAOYSA-N -1 0 327.344 2.535 20 30 EFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3C)nc1-2 ZINC000429581319 478158156 /nfs/dbraw/zinc/15/81/56/478158156.db2.gz YRNVFCYSRURBPI-ZDUSSCGKSA-N -1 0 335.323 2.973 20 30 EFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccsc1Br ZINC000451729197 478181358 /nfs/dbraw/zinc/18/13/58/478181358.db2.gz UUYCCTLJEIWINC-UHFFFAOYSA-N -1 0 337.202 2.657 20 30 EFEDRM C=CCOc1ccccc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000535170701 478201588 /nfs/dbraw/zinc/20/15/88/478201588.db2.gz BFUXTJSLUFORRK-UHFFFAOYSA-N -1 0 338.392 2.839 20 30 EFEDRM CCSc1n[n-]c(=NC(=O)N2CCC(CCC#N)CC2)s1 ZINC000518973383 478201868 /nfs/dbraw/zinc/20/18/68/478201868.db2.gz RQORKUZIRMWFGM-UHFFFAOYSA-N -1 0 325.463 2.620 20 30 EFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(F)c1 ZINC000451831022 478219460 /nfs/dbraw/zinc/21/94/60/478219460.db2.gz ZDQIEVDVHRQBIZ-VIFPVBQESA-N -1 0 336.310 2.550 20 30 EFEDRM C=CCN(CCC#N)C(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000562413687 478245804 /nfs/dbraw/zinc/24/58/04/478245804.db2.gz LKGYMDGHBMNBNV-UHFFFAOYSA-N -1 0 345.403 2.623 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000562429707 478247829 /nfs/dbraw/zinc/24/78/29/478247829.db2.gz FDCGNGQBNUVSOP-ZBFHGGJFSA-N -1 0 348.443 2.698 20 30 EFEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1cc(C(F)(F)F)ccn1 ZINC000520301510 478295298 /nfs/dbraw/zinc/29/52/98/478295298.db2.gz BEDGSTHVKYIRNT-JTQLQIEISA-N -1 0 336.273 2.569 20 30 EFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000597331497 478296853 /nfs/dbraw/zinc/29/68/53/478296853.db2.gz YMQAJINZWWWIPM-UKRRQHHQSA-N -1 0 348.362 2.840 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000562648949 478296971 /nfs/dbraw/zinc/29/69/71/478296971.db2.gz WWPBEHQFXGKMHQ-GFCCVEGCSA-N -1 0 328.315 2.507 20 30 EFEDRM C=CCNC(=O)N=c1[n-]nc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000490248886 478324312 /nfs/dbraw/zinc/32/43/12/478324312.db2.gz PWOQGERUUCSYKG-UHFFFAOYSA-N -1 0 344.318 2.833 20 30 EFEDRM COc1cccc(S([O-])=CC(=O)N[C@](C)(C#N)C2CCCCC2)c1 ZINC000579583133 478330562 /nfs/dbraw/zinc/33/05/62/478330562.db2.gz FCKCDWANWCVQBW-KOSHJBKYSA-N -1 0 348.468 2.782 20 30 EFEDRM COCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@@H]1CCC[C@@H]1C ZINC000490336503 478332011 /nfs/dbraw/zinc/33/20/11/478332011.db2.gz QSWIMNADDYPOLS-SMDDNHRTSA-N -1 0 349.456 2.658 20 30 EFEDRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N ZINC000590822354 478355453 /nfs/dbraw/zinc/35/54/53/478355453.db2.gz PBQNORZQAOXUPW-OAHLLOKOSA-N -1 0 327.363 2.530 20 30 EFEDRM C=CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000580272714 478357914 /nfs/dbraw/zinc/35/79/14/478357914.db2.gz PVANYDPEYURPAW-MRXNPFEDSA-N -1 0 337.441 2.648 20 30 EFEDRM C=CCCCS(=O)(=O)N1CC[C@H](c2cccc(C)c2)[C@@H]1C(=O)[O-] ZINC000580513156 478363866 /nfs/dbraw/zinc/36/38/66/478363866.db2.gz ISXVCAZJGPKVHY-HZPDHXFCSA-N -1 0 337.441 2.534 20 30 EFEDRM COC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000490652548 478365134 /nfs/dbraw/zinc/36/51/34/478365134.db2.gz RKFFJTUGTXTMGW-OAHLLOKOSA-N -1 0 343.383 2.636 20 30 EFEDRM C=CCOc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1OC ZINC000538584246 478365314 /nfs/dbraw/zinc/36/53/14/478365314.db2.gz QXTCBJINTKERNB-UHFFFAOYSA-N -1 0 347.411 2.977 20 30 EFEDRM N#CC1(c2ccccn2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000570464243 478365663 /nfs/dbraw/zinc/36/56/63/478365663.db2.gz OVTNIUINDSPMAG-UHFFFAOYSA-N -1 0 338.367 2.753 20 30 EFEDRM CCOC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000490653227 478366276 /nfs/dbraw/zinc/36/62/76/478366276.db2.gz VMIPERZNLCAESS-HNNXBMFYSA-N -1 0 343.383 2.636 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000490672221 478368127 /nfs/dbraw/zinc/36/81/27/478368127.db2.gz ZXQJAQFUJHSTGQ-AWEZNQCLSA-N -1 0 345.399 2.881 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000490672222 478369136 /nfs/dbraw/zinc/36/91/36/478369136.db2.gz ZXQJAQFUJHSTGQ-CQSZACIVSA-N -1 0 345.399 2.881 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000581177555 478374965 /nfs/dbraw/zinc/37/49/65/478374965.db2.gz JFUFYNUSSMARLT-LBPRGKRZSA-N -1 0 344.440 2.808 20 30 EFEDRM CC1(C#N)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000597488149 478376026 /nfs/dbraw/zinc/37/60/26/478376026.db2.gz YXNQXFPDUYISHH-UHFFFAOYSA-N -1 0 346.337 2.622 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000581229247 478376545 /nfs/dbraw/zinc/37/65/45/478376545.db2.gz WSYVUNNGQHRWAR-CYBMUJFWSA-N -1 0 347.396 2.587 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(F)c1 ZINC000525367879 478393943 /nfs/dbraw/zinc/39/39/43/478393943.db2.gz DVVNQMNIWFETOG-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM C[C@@H](C#N)CNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000525909162 478399191 /nfs/dbraw/zinc/39/91/91/478399191.db2.gz XGSUNVXKTCSCNP-ZETCQYMHSA-N -1 0 339.783 2.701 20 30 EFEDRM C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594526995 478426512 /nfs/dbraw/zinc/42/65/12/478426512.db2.gz ASYOOEAYYLFHOX-LEWSCRJBSA-N -1 0 347.390 2.632 20 30 EFEDRM CC(CCCNC(=O)OC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000495954109 478436087 /nfs/dbraw/zinc/43/60/87/478436087.db2.gz ZGICVGSUMXBECR-UHFFFAOYSA-N -1 0 336.392 2.873 20 30 EFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2noc3c2COCC3)s1 ZINC000527599921 478440144 /nfs/dbraw/zinc/44/01/44/478440144.db2.gz PGWMNURJIULHSQ-VIFPVBQESA-N -1 0 331.397 2.991 20 30 EFEDRM Cc1nc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)ccc1C#N ZINC000600673920 478461907 /nfs/dbraw/zinc/46/19/07/478461907.db2.gz BWRRXNXMBGPYBZ-CYBMUJFWSA-N -1 0 336.395 2.675 20 30 EFEDRM Cc1nc(N2CCC(c3nc(C(=O)[O-])cs3)CC2)ccc1C#N ZINC000600673708 478462134 /nfs/dbraw/zinc/46/21/34/478462134.db2.gz ABCQSMHJPNFHEQ-UHFFFAOYSA-N -1 0 328.397 2.800 20 30 EFEDRM N#CCC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000570898386 478470994 /nfs/dbraw/zinc/47/09/94/478470994.db2.gz BBFXRLBCOGQVRY-LBPRGKRZSA-N -1 0 332.347 2.903 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000563227504 478488858 /nfs/dbraw/zinc/48/88/58/478488858.db2.gz XMHSRNDWXOXBSY-HNNXBMFYSA-N -1 0 325.430 2.821 20 30 EFEDRM N#CC1(CNC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCCCC1 ZINC000594689752 478495711 /nfs/dbraw/zinc/49/57/11/478495711.db2.gz AQFCWGIIKQEPAE-INIZCTEOSA-N -1 0 341.411 2.682 20 30 EFEDRM C=CCCSCCNC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000594690588 478496995 /nfs/dbraw/zinc/49/69/95/478496995.db2.gz LSXYNFTWMDPPAU-HNNXBMFYSA-N -1 0 334.441 2.517 20 30 EFEDRM N#CC1(CNC(=O)N(CC(=O)[O-])Cc2ccccc2)CCCCC1 ZINC000594691613 478498089 /nfs/dbraw/zinc/49/80/89/478498089.db2.gz WWCWJERLLISHNF-UHFFFAOYSA-N -1 0 329.400 2.757 20 30 EFEDRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000594691609 478498170 /nfs/dbraw/zinc/49/81/70/478498170.db2.gz WVDFPMMOUMLLPC-GOSISDBHSA-N -1 0 329.400 2.530 20 30 EFEDRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1 ZINC000594694284 478499690 /nfs/dbraw/zinc/49/96/90/478499690.db2.gz IAKLWHHXEXTXHO-ZDUSSCGKSA-N -1 0 348.428 2.775 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594694331 478500240 /nfs/dbraw/zinc/50/02/40/478500240.db2.gz JGVXDUDQUOBGKP-MRXNPFEDSA-N -1 0 338.429 2.514 20 30 EFEDRM CC(=Cc1ccc(O[C@H]2CCOC2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000594697531 478500580 /nfs/dbraw/zinc/50/05/80/478500580.db2.gz XRAFFLHTAFOQFI-CKDIWJPDSA-N -1 0 337.379 2.678 20 30 EFEDRM N#CC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000591269785 478503292 /nfs/dbraw/zinc/50/32/92/478503292.db2.gz HTJJRGDDLHWKSF-UHFFFAOYSA-N -1 0 327.384 2.578 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000594718773 478510580 /nfs/dbraw/zinc/51/05/80/478510580.db2.gz CNMNVXLRPZCWJZ-UHFFFAOYSA-N -1 0 349.861 2.626 20 30 EFEDRM C#C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000491349553 478518476 /nfs/dbraw/zinc/51/84/76/478518476.db2.gz IWKXLCRCYMCPDJ-LLVKDONJSA-N -1 0 346.736 2.588 20 30 EFEDRM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](c2ccccc2)C1 ZINC000591338169 478527713 /nfs/dbraw/zinc/52/77/13/478527713.db2.gz QUNHNRZFVQSDQU-JLJPHGGASA-N -1 0 337.427 2.808 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1)C(=O)[O-] ZINC000571164194 478535747 /nfs/dbraw/zinc/53/57/47/478535747.db2.gz MDIFAQXJDSWUDW-XJKSGUPXSA-N -1 0 334.416 2.592 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000600873469 478547366 /nfs/dbraw/zinc/54/73/66/478547366.db2.gz LAVIHKZMHYXLQZ-GWCFXTLKSA-N -1 0 338.385 2.611 20 30 EFEDRM C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000600964571 478588168 /nfs/dbraw/zinc/58/81/68/478588168.db2.gz QWWJJYURTFQQHJ-DGCLKSJQSA-N -1 0 332.404 2.689 20 30 EFEDRM N#CCCC1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000571405560 478589640 /nfs/dbraw/zinc/58/96/40/478589640.db2.gz JBOFJWZPACUVJP-UHFFFAOYSA-N -1 0 342.374 2.873 20 30 EFEDRM N#Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1 ZINC000600983922 478597266 /nfs/dbraw/zinc/59/72/66/478597266.db2.gz MTRBHDPNUICQIH-ROUUACIJSA-N -1 0 349.390 2.615 20 30 EFEDRM C=CCCSCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000597968298 478599290 /nfs/dbraw/zinc/59/92/90/478599290.db2.gz SCBWUIZQSNOQGG-UHFFFAOYSA-N -1 0 335.404 2.756 20 30 EFEDRM C#CCN(C)C(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000491634884 478607975 /nfs/dbraw/zinc/60/79/75/478607975.db2.gz RBPIDMGKSHFXEH-UHFFFAOYSA-N -1 0 348.449 2.563 20 30 EFEDRM C#CCN(C)c1cnc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cn1 ZINC000491666426 478623303 /nfs/dbraw/zinc/62/33/03/478623303.db2.gz WCBFGWCLDKOZEA-UHFFFAOYSA-N -1 0 341.758 2.622 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496236274 478630215 /nfs/dbraw/zinc/63/02/15/478630215.db2.gz VMFSWDORCWQEMK-LLVKDONJSA-N -1 0 349.387 2.594 20 30 EFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(F)c1 ZINC000571733830 478663767 /nfs/dbraw/zinc/66/37/67/478663767.db2.gz UJRRBEBKHNGTTO-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@@H](C)C#N)C2CC2)n1 ZINC000598132535 478673966 /nfs/dbraw/zinc/67/39/66/478673966.db2.gz TZQUQTZYHSTWFM-NSHDSACASA-N -1 0 328.347 2.542 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccncn2)nc1 ZINC000496611201 478675419 /nfs/dbraw/zinc/67/54/19/478675419.db2.gz WVJFODNKOAVVMZ-GFCCVEGCSA-N -1 0 339.355 2.709 20 30 EFEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CN=Nc1ccc(C(=O)[O-])nc1 ZINC000496786848 478694456 /nfs/dbraw/zinc/69/44/56/478694456.db2.gz ROGOSBRQQGAYBS-GFCCVEGCSA-N -1 0 334.376 2.577 20 30 EFEDRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000595261415 478705976 /nfs/dbraw/zinc/70/59/76/478705976.db2.gz ZKUKXXRXIRKCRA-ZDUSSCGKSA-N -1 0 329.400 2.906 20 30 EFEDRM C[C@@](CNC(=O)NCC1(C#N)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000595263543 478707822 /nfs/dbraw/zinc/70/78/22/478707822.db2.gz RPAHQNMMLPDJPW-SFHVURJKSA-N -1 0 343.427 2.802 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])c1 ZINC000571962162 478714594 /nfs/dbraw/zinc/71/45/94/478714594.db2.gz IYSIHIKQDVLBRM-ZBFHGGJFSA-N -1 0 348.399 2.737 20 30 EFEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000564402346 478735201 /nfs/dbraw/zinc/73/52/01/478735201.db2.gz SODLVIFPIVSMGZ-UHFFFAOYSA-N -1 0 338.429 2.775 20 30 EFEDRM CC[C@@H](NN=C1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000497175050 478735296 /nfs/dbraw/zinc/73/52/96/478735296.db2.gz CQMKWJSMAAJJIW-ZIAGYGMSSA-N -1 0 347.415 2.813 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)n(CCC#N)n1 ZINC000564425498 478742184 /nfs/dbraw/zinc/74/21/84/478742184.db2.gz PHRHQZXUENOYEH-UHFFFAOYSA-N -1 0 338.820 2.868 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NC2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000497282127 478747031 /nfs/dbraw/zinc/74/70/31/478747031.db2.gz AGBQOOUVUDXXCY-NSHDSACASA-N -1 0 335.408 2.726 20 30 EFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000564636966 478773931 /nfs/dbraw/zinc/77/39/31/478773931.db2.gz KENZGZOHDMIEFQ-LLVKDONJSA-N -1 0 349.861 2.760 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000564636972 478774471 /nfs/dbraw/zinc/77/44/71/478774471.db2.gz KENZGZOHDMIEFQ-NSHDSACASA-N -1 0 349.861 2.760 20 30 EFEDRM N#Cc1cccc(CCNC(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000500200338 478787557 /nfs/dbraw/zinc/78/75/57/478787557.db2.gz YBKYVRWKOHOSFD-UHFFFAOYSA-N -1 0 349.419 2.863 20 30 EFEDRM C=CCC[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)C(=O)[O-] ZINC000583306925 478819437 /nfs/dbraw/zinc/81/94/37/478819437.db2.gz OPDBONIPFRUSOU-OAHLLOKOSA-N -1 0 345.399 2.829 20 30 EFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000592465381 478904294 /nfs/dbraw/zinc/90/42/94/478904294.db2.gz ULKBLVWTKQRVHV-ZJUUUORDSA-N -1 0 339.298 2.534 20 30 EFEDRM C=CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000572758276 478912790 /nfs/dbraw/zinc/91/27/90/478912790.db2.gz FNRABKYRMWNBFK-ZDUSSCGKSA-N -1 0 331.821 2.741 20 30 EFEDRM N#Cc1c[n-][nH]c1=NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000601638523 478921023 /nfs/dbraw/zinc/92/10/23/478921023.db2.gz CMDXIVRNRLZVEX-UHFFFAOYSA-N -1 0 346.394 2.545 20 30 EFEDRM N#CC1(CC(=O)N=c2nc(-c3cccnc3)[n-]s2)CCCCC1 ZINC000598695342 478976402 /nfs/dbraw/zinc/97/64/02/478976402.db2.gz VYEKXLONZRWJNC-UHFFFAOYSA-N -1 0 327.413 2.825 20 30 EFEDRM Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[n-]n1C ZINC000592648157 478982087 /nfs/dbraw/zinc/98/20/87/478982087.db2.gz BUQGGPOZPOBYBS-QWHCGFSZSA-N -1 0 348.328 2.783 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000528909100 478982381 /nfs/dbraw/zinc/98/23/81/478982381.db2.gz KPXIIGRNVLFGCU-UHFFFAOYSA-N -1 0 348.346 2.840 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(OC(F)F)ccc1F ZINC000528922853 478987932 /nfs/dbraw/zinc/98/79/32/478987932.db2.gz CFDNVBNECNZJIO-LBPRGKRZSA-N -1 0 340.301 2.808 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)N2CCSC[C@H]2C(=O)[O-])c1 ZINC000584031542 478997384 /nfs/dbraw/zinc/99/73/84/478997384.db2.gz VJEVCOYDOSGXRM-AWEZNQCLSA-N -1 0 336.413 2.675 20 30 EFEDRM C=CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC000584031549 478997932 /nfs/dbraw/zinc/99/79/32/478997932.db2.gz VQPLWUQJOVHJNX-MRXNPFEDSA-N -1 0 342.351 2.904 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc2ccccc2c1 ZINC000492587125 479008993 /nfs/dbraw/zinc/00/89/93/479008993.db2.gz BAFIIFRDFKBEON-NTMALXAHSA-N -1 0 328.393 2.603 20 30 EFEDRM CC(C)[C@H](C=NN=c1ccc(Cl)n[n-]1)CNC(=O)OC(C)(C)C ZINC000492658483 479012199 /nfs/dbraw/zinc/01/21/99/479012199.db2.gz SPEFGIKKUGECKT-NSHDSACASA-N -1 0 341.843 2.747 20 30 EFEDRM N#CCC1CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000573217114 479018152 /nfs/dbraw/zinc/01/81/52/479018152.db2.gz JFEXXRDWKUENJN-QGZVFWFLSA-N -1 0 343.427 2.798 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1OC ZINC000492799949 479019382 /nfs/dbraw/zinc/01/93/82/479019382.db2.gz NSJXSJORBAZJRU-VIHMKRCTSA-N -1 0 345.395 2.643 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C\c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000492996981 479030121 /nfs/dbraw/zinc/03/01/21/479030121.db2.gz WHPZRLWQYBYEAB-RBJHHQRMSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(C)C(C)(C)C(=O)[O-])cc1OC ZINC000493082325 479033746 /nfs/dbraw/zinc/03/37/46/479033746.db2.gz KJVVNKYDTAUZOE-NTMALXAHSA-N -1 0 333.384 2.595 20 30 EFEDRM C=CCC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OCC)c1)C(=O)[O-] ZINC000493118291 479035598 /nfs/dbraw/zinc/03/55/98/479035598.db2.gz LSYUZXCLVDBOMP-CFRMROPGSA-N -1 0 333.384 2.643 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1OC ZINC000493220405 479040270 /nfs/dbraw/zinc/04/02/70/479040270.db2.gz JURLVSWXRIXFSZ-CSIFZYERSA-N -1 0 345.395 2.595 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000493265138 479041897 /nfs/dbraw/zinc/04/18/97/479041897.db2.gz VSHRNXKVZGPUBA-VOTSOKGWSA-N -1 0 325.817 2.908 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000584212568 479051708 /nfs/dbraw/zinc/05/17/08/479051708.db2.gz FMVKBAZACJHANA-LBPRGKRZSA-N -1 0 339.775 2.651 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cc(F)c(F)c(F)c2)CC1 ZINC000493531319 479055408 /nfs/dbraw/zinc/05/54/08/479055408.db2.gz UUOVITPTSTYTRM-ARJAWSKDSA-N -1 0 345.342 2.672 20 30 EFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)c1 ZINC000573498515 479079808 /nfs/dbraw/zinc/07/98/08/479079808.db2.gz KEVWSJYASPJJBK-UHFFFAOYSA-N -1 0 345.428 2.915 20 30 EFEDRM Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3C[C@@H](C(=O)[O-])C[C@H]3O)c2c1 ZINC000595979052 479088068 /nfs/dbraw/zinc/08/80/68/479088068.db2.gz PUTUYUKDYJQPNI-OWYVNGRQSA-N -1 0 345.786 2.704 20 30 EFEDRM C=CCCCS(=O)(=O)N1[C@@H](c2ccsc2)SC[C@@H]1C(=O)[O-] ZINC000584327629 479092817 /nfs/dbraw/zinc/09/28/17/479092817.db2.gz BDWVOVXQNATRMQ-VXGBXAGGSA-N -1 0 347.483 2.545 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)sn1 ZINC000601962671 479098115 /nfs/dbraw/zinc/09/81/15/479098115.db2.gz NSJMMDVYZFQKHU-UHFFFAOYSA-N -1 0 346.484 2.633 20 30 EFEDRM N#CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000566889966 479099010 /nfs/dbraw/zinc/09/90/10/479099010.db2.gz BAVVEWXLXACACM-UHFFFAOYSA-N -1 0 329.287 3.000 20 30 EFEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000567095225 479102463 /nfs/dbraw/zinc/10/24/63/479102463.db2.gz MHUKVMYLVUYMPG-SNVBAGLBSA-N -1 0 338.245 2.837 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000515001346 479103719 /nfs/dbraw/zinc/10/37/19/479103719.db2.gz FRMIBKYCUDQBFL-AWEZNQCLSA-N -1 0 332.400 2.648 20 30 EFEDRM CCCCn1cc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c(C)n1 ZINC000601977052 479105799 /nfs/dbraw/zinc/10/57/99/479105799.db2.gz JZBYGCIXRCZKBD-UHFFFAOYSA-N -1 0 336.392 2.803 20 30 EFEDRM C[C@](CC(=O)[O-])(C(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000601980847 479107845 /nfs/dbraw/zinc/10/78/45/479107845.db2.gz ASUHJFAAOHTFRP-QWQCLYJRSA-N -1 0 334.441 2.927 20 30 EFEDRM CC[C@@](CC(=O)[O-])(C(=O)NCC1(CC#N)CC1)c1ccc(C)cc1 ZINC000601983700 479111057 /nfs/dbraw/zinc/11/10/57/479111057.db2.gz SGXUDPLNQVQPGM-IBGZPJMESA-N -1 0 328.412 2.928 20 30 EFEDRM C=C(C)Cn1c([C@@H]2CCCS2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000567661667 479111662 /nfs/dbraw/zinc/11/16/62/479111662.db2.gz PQHVZEUKSJSQMO-ZDUSSCGKSA-N -1 0 332.477 2.938 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)CCCCCC(=O)[O-] ZINC000568084902 479119883 /nfs/dbraw/zinc/11/98/83/479119883.db2.gz XBOFLDUCGJBRDN-UHFFFAOYSA-N -1 0 325.430 2.649 20 30 EFEDRM CC(C)c1csc(S([O-])=CC(=O)NCc2cccc(C#N)c2)n1 ZINC000593000621 479120787 /nfs/dbraw/zinc/12/07/87/479120787.db2.gz IAZVNZUPZKNLKX-HSZRJFAPSA-N -1 0 347.465 2.562 20 30 EFEDRM CC(C)c1csc(S([O-])=CC(=O)NCc2cccc(C#N)c2)n1 ZINC000593000622 479120946 /nfs/dbraw/zinc/12/09/46/479120946.db2.gz IAZVNZUPZKNLKX-QHCPKHFHSA-N -1 0 347.465 2.562 20 30 EFEDRM C=CCSc1ccccc1C(=O)N=c1cc(C(=O)OCC)[n-][nH]1 ZINC000547926321 479121117 /nfs/dbraw/zinc/12/11/17/479121117.db2.gz UHSZJXWJPONKNW-UHFFFAOYSA-N -1 0 331.397 2.539 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)C[C@H](C)CC(=O)[O-])sc2C1 ZINC000601995110 479121120 /nfs/dbraw/zinc/12/11/20/479121120.db2.gz SIDIKEMXQORGCB-VHSXEESVSA-N -1 0 336.413 2.563 20 30 EFEDRM N#CC1(CS(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])CCCCC1 ZINC000547913980 479121798 /nfs/dbraw/zinc/12/17/98/479121798.db2.gz WCEHHGNFSYTXQM-AWEZNQCLSA-N -1 0 342.461 2.510 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601995436 479122317 /nfs/dbraw/zinc/12/23/17/479122317.db2.gz OFCCDCRTUWXGSK-NWDGAFQWSA-N -1 0 325.405 2.935 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1C#N ZINC000593014965 479125555 /nfs/dbraw/zinc/12/55/55/479125555.db2.gz WKZCYIILSYSGHJ-UHFFFAOYSA-N -1 0 331.372 2.864 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000593014290 479125791 /nfs/dbraw/zinc/12/57/91/479125791.db2.gz HCJCZZUIJNYAMC-UHFFFAOYSA-N -1 0 331.372 2.864 20 30 EFEDRM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000548536749 479126582 /nfs/dbraw/zinc/12/65/82/479126582.db2.gz RUDUKPBPCYWLKB-UHFFFAOYSA-N -1 0 340.376 2.658 20 30 EFEDRM CC(C)(C)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)CC(=O)[O-] ZINC000548528291 479127635 /nfs/dbraw/zinc/12/76/35/479127635.db2.gz ASXHVTAWJVYAAO-ZDUSSCGKSA-N -1 0 344.477 2.517 20 30 EFEDRM C=CCCS(=O)(=O)NC1(C(=O)[O-])CCC(c2ccccc2)CC1 ZINC000548771204 479129593 /nfs/dbraw/zinc/12/95/93/479129593.db2.gz NPGJPQXIGIMJQN-UHFFFAOYSA-N -1 0 337.441 2.663 20 30 EFEDRM N#CC1(CNC(=O)N=c2nc(SCc3ccccc3)[n-]s2)CC1 ZINC000569063645 479134331 /nfs/dbraw/zinc/13/43/31/479134331.db2.gz UZEBOBCGJHYXNG-UHFFFAOYSA-N -1 0 345.453 2.678 20 30 EFEDRM C=CCN(Cc1noc(CCCC(=O)[O-])n1)Cc1ccccc1F ZINC000569612018 479145455 /nfs/dbraw/zinc/14/54/55/479145455.db2.gz OLMRODAEDCWRKI-UHFFFAOYSA-N -1 0 333.363 2.804 20 30 EFEDRM C=CCOC[C@H](NC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC000569654224 479147030 /nfs/dbraw/zinc/14/70/30/479147030.db2.gz RKLROIKGCIHNME-KBPBESRZSA-N -1 0 340.807 2.746 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000569683855 479155924 /nfs/dbraw/zinc/15/59/24/479155924.db2.gz OLNJJWFVNIARAZ-WCQYABFASA-N -1 0 344.371 2.516 20 30 EFEDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC000555456596 479164804 /nfs/dbraw/zinc/16/48/04/479164804.db2.gz FEJMFCPEUSHCEL-KGLIPLIRSA-N -1 0 344.477 2.659 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000610725600 479167799 /nfs/dbraw/zinc/16/77/99/479167799.db2.gz MVLDAVICHDXVEM-UHFFFAOYSA-N -1 0 341.417 2.904 20 30 EFEDRM CC(C)(C)CC[C@](C)(NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-] ZINC000556417127 479170128 /nfs/dbraw/zinc/17/01/28/479170128.db2.gz VJHTUZMGZFDNOA-HNNXBMFYSA-N -1 0 344.477 2.659 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCc1c[nH]c2c1cccc2CC)C(=O)[O-] ZINC000556707775 479180155 /nfs/dbraw/zinc/18/01/55/479180155.db2.gz DUJUEEKBJPYNPM-INIZCTEOSA-N -1 0 343.427 2.991 20 30 EFEDRM C=C(C)Cn1c(-c2ncccc2C)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000574010709 479193709 /nfs/dbraw/zinc/19/37/09/479193709.db2.gz BUEMRPZBDJAIPB-UHFFFAOYSA-N -1 0 337.431 2.740 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2N=c1ccc(OCC(F)(F)F)n[n-]1 ZINC000596216456 479206194 /nfs/dbraw/zinc/20/61/94/479206194.db2.gz ZTIBPEVVJVLRFU-ZDUSSCGKSA-N -1 0 334.301 2.811 20 30 EFEDRM N#Cc1ccc(CN=c2nc(C3CCOCC3)[n-]s2)cc1Cl ZINC000596221591 479208650 /nfs/dbraw/zinc/20/86/50/479208650.db2.gz KRWVQVNVRXQRGD-UHFFFAOYSA-N -1 0 334.832 2.991 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(F)c1 ZINC000610897239 479227455 /nfs/dbraw/zinc/22/74/55/479227455.db2.gz WRGDOTLJHNFLER-UHFFFAOYSA-N -1 0 347.371 2.765 20 30 EFEDRM CCN(CCC#N)C(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603080475 479235871 /nfs/dbraw/zinc/23/58/71/479235871.db2.gz GNYFMIUPWCYHDW-UHFFFAOYSA-N -1 0 337.355 2.673 20 30 EFEDRM CC[C@@H](CC#N)NC(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000603080411 479236459 /nfs/dbraw/zinc/23/64/59/479236459.db2.gz FOONWPAIWFVCTL-QMMMGPOBSA-N -1 0 337.355 2.719 20 30 EFEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]nc([C@@H]3CCCO3)s2)cc1 ZINC000602211462 479238907 /nfs/dbraw/zinc/23/89/07/479238907.db2.gz PFTQHAIMPBCKHT-ZDUSSCGKSA-N -1 0 342.424 2.865 20 30 EFEDRM N#Cc1ccc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])c(F)c1 ZINC000610945963 479239762 /nfs/dbraw/zinc/23/97/62/479239762.db2.gz FNVZJZCTWFZBKC-FPLPWBNLSA-N -1 0 349.321 2.662 20 30 EFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(-c2ccc(F)cc2F)c1C ZINC000593219803 479245254 /nfs/dbraw/zinc/24/52/54/479245254.db2.gz YWGYSLGPQFMICM-NSHDSACASA-N -1 0 340.355 2.503 20 30 EFEDRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C1CC1 ZINC000574367847 479271760 /nfs/dbraw/zinc/27/17/60/479271760.db2.gz KOMVAJRBFSAEFC-UHFFFAOYSA-N -1 0 330.413 2.843 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n[nH]c1C1CC1 ZINC000593279341 479273094 /nfs/dbraw/zinc/27/30/94/479273094.db2.gz FAGDCZNLORBONV-UHFFFAOYSA-N -1 0 336.804 2.754 20 30 EFEDRM C[C@@H](NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1)c1ccc(C#N)cc1 ZINC000603162632 479284867 /nfs/dbraw/zinc/28/48/67/479284867.db2.gz FKLXOYZXZKPITE-ZWNOBZJWSA-N -1 0 343.412 2.566 20 30 EFEDRM C=CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)c1nc2c(s1)CCCC2 ZINC000574694622 479330987 /nfs/dbraw/zinc/33/09/87/479330987.db2.gz OWKYMBKQCWZKBE-OLZOCXBDSA-N -1 0 334.441 2.898 20 30 EFEDRM C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000574747717 479340826 /nfs/dbraw/zinc/34/08/26/479340826.db2.gz RPSLPODKHIVQOA-QGZVFWFLSA-N -1 0 342.395 2.857 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(Cc3ccccc3)CCCC2)[n-]1 ZINC000611519449 479404122 /nfs/dbraw/zinc/40/41/22/479404122.db2.gz LPUCADYKTQZQMY-UHFFFAOYSA-N -1 0 337.427 2.638 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCC[C@H](C)c1ccc(OC)cc1)C(=O)[O-] ZINC000575225674 479422564 /nfs/dbraw/zinc/42/25/64/479422564.db2.gz IVQVTRZXDFMHJQ-XJKSGUPXSA-N -1 0 334.416 2.907 20 30 EFEDRM CC(C)(CCC#N)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000593699159 479428431 /nfs/dbraw/zinc/42/84/31/479428431.db2.gz ZLGNEUPUPCXIBD-GOSISDBHSA-N -1 0 331.416 2.658 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000603835279 479435200 /nfs/dbraw/zinc/43/52/00/479435200.db2.gz IFNFPOOXTJRZFJ-SECBINFHSA-N -1 0 331.309 2.579 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)ccc1C#N ZINC000618601678 479511243 /nfs/dbraw/zinc/51/12/43/479511243.db2.gz DIIUHXNHNNYQGX-UHFFFAOYSA-N -1 0 342.424 2.663 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593956375 479519610 /nfs/dbraw/zinc/51/96/10/479519610.db2.gz LXWOSYLQZVSTFN-JIMOISOXSA-N -1 0 333.363 2.954 20 30 EFEDRM CCNc1nc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cs1 ZINC000596986599 479520507 /nfs/dbraw/zinc/52/05/07/479520507.db2.gz XFCHWYFTENQRQV-UHFFFAOYSA-N -1 0 328.441 2.919 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)c1 ZINC000589591067 479542096 /nfs/dbraw/zinc/54/20/96/479542096.db2.gz QSQGHXUWPMGTTL-UHFFFAOYSA-N -1 0 346.393 2.665 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000589593363 479542600 /nfs/dbraw/zinc/54/26/00/479542600.db2.gz YEWRNAJQNNILCT-UHFFFAOYSA-N -1 0 348.387 2.973 20 30 EFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1 ZINC000589586476 479542678 /nfs/dbraw/zinc/54/26/78/479542678.db2.gz SFZNFCBJVQSJFE-UHFFFAOYSA-N -1 0 342.424 2.549 20 30 EFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC#N)C(C)C)n1 ZINC000597041397 479546073 /nfs/dbraw/zinc/54/60/73/479546073.db2.gz IFQKYRJGLCKQRD-UHFFFAOYSA-N -1 0 326.400 2.905 20 30 EFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000576156108 479551926 /nfs/dbraw/zinc/55/19/26/479551926.db2.gz YBWRVPVJEROYGC-SNVBAGLBSA-N -1 0 345.392 2.556 20 30 EFEDRM CC(C)C[C@H](C#N)NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597072984 479557725 /nfs/dbraw/zinc/55/77/25/479557725.db2.gz CVDBABWQAWSKSP-LLVKDONJSA-N -1 0 334.326 2.524 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC2(C(F)F)CCCC2)cc1C#N ZINC000589949179 479585141 /nfs/dbraw/zinc/58/51/41/479585141.db2.gz MHIPDXCJKXHVBD-UHFFFAOYSA-N -1 0 327.356 2.688 20 30 EFEDRM C=C(C)CS(=O)(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000576996953 479586632 /nfs/dbraw/zinc/58/66/32/479586632.db2.gz NHISPEZVNWSMIF-NSHDSACASA-N -1 0 331.821 2.521 20 30 EFEDRM C=C(C)CS(=O)(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000577369690 479591228 /nfs/dbraw/zinc/59/12/28/479591228.db2.gz IHANTRICEVONJL-CQSZACIVSA-N -1 0 331.821 2.525 20 30 EFEDRM C[C@@H](CC(=O)[O-])CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000577529384 479594137 /nfs/dbraw/zinc/59/41/37/479594137.db2.gz SQSYHIFVPGPUQJ-LLVKDONJSA-N -1 0 327.302 2.674 20 30 EFEDRM C=CCC1(CNC(=O)N=c2ccc(-c3cnn(C)c3)n[n-]2)CCCC1 ZINC000578115874 479601587 /nfs/dbraw/zinc/60/15/87/479601587.db2.gz KPUADYOJNPZEIN-UHFFFAOYSA-N -1 0 340.431 2.557 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(C(C)C)nc2C)n1 ZINC000578081010 479601686 /nfs/dbraw/zinc/60/16/86/479601686.db2.gz IWTNSTHUBXSCPT-LLVKDONJSA-N -1 0 346.412 2.896 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000618893216 479626370 /nfs/dbraw/zinc/62/63/70/479626370.db2.gz YVOKUPKTPLWXSE-KRWDZBQOSA-N -1 0 344.374 2.867 20 30 EFEDRM C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000578949360 479635223 /nfs/dbraw/zinc/63/52/23/479635223.db2.gz SHRJZQIVBLNCHP-UKRRQHHQSA-N -1 0 332.400 2.646 20 30 EFEDRM COc1ccc(Cn2nccc2NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000615431002 479673133 /nfs/dbraw/zinc/67/31/33/479673133.db2.gz IMCZRRVMNTUSIE-UHFFFAOYSA-N -1 0 348.362 2.770 20 30 EFEDRM C[C@H](c1ccccc1)n1ccc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH]1 ZINC000615427204 479673174 /nfs/dbraw/zinc/67/31/74/479673174.db2.gz GIDUXGROEGVUQQ-CYBMUJFWSA-N -1 0 332.363 2.744 20 30 EFEDRM N#C[C@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCC[C@]12CCCCO2 ZINC000619221938 479723049 /nfs/dbraw/zinc/72/30/49/479723049.db2.gz GUYXVWTXYDOUOF-IAGOWNOFSA-N -1 0 331.372 2.728 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000612735506 479746421 /nfs/dbraw/zinc/74/64/21/479746421.db2.gz HTNHCQIVRNWHLB-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(OC)c1 ZINC000619461377 479800265 /nfs/dbraw/zinc/80/02/65/479800265.db2.gz SXJZDJBVRLIAFR-UHFFFAOYSA-N -1 0 332.381 2.571 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462180 479800349 /nfs/dbraw/zinc/80/03/49/479800349.db2.gz LXPLTASIKUMQHT-UHFFFAOYSA-N -1 0 341.392 2.824 20 30 EFEDRM Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1C(=O)[O-] ZINC000619463103 479801106 /nfs/dbraw/zinc/80/11/06/479801106.db2.gz CZHAQNCWMOBVGI-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619547069 479824198 /nfs/dbraw/zinc/82/41/98/479824198.db2.gz BMGCYTAVUONIJV-UHFFFAOYSA-N -1 0 344.421 2.915 20 30 EFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1CC(C)C ZINC000619547064 479824255 /nfs/dbraw/zinc/82/42/55/479824255.db2.gz QBAXUOPAIJOPQS-UHFFFAOYSA-N -1 0 338.458 2.835 20 30 EFEDRM C=C[C@H](Sc1n[n-]c(=Nc2ccccc2F)s1)C(=O)OC ZINC000619686437 479856681 /nfs/dbraw/zinc/85/66/81/479856681.db2.gz KPQQTXVQCOWZGV-JTQLQIEISA-N -1 0 325.390 2.662 20 30 EFEDRM C=C[C@H](Sc1n[n-]c(=Nc2ccccc2OC)s1)C(=O)OC ZINC000619686369 479856689 /nfs/dbraw/zinc/85/66/89/479856689.db2.gz CKLDSCJAMQBIQU-NSHDSACASA-N -1 0 337.426 2.532 20 30 EFEDRM C=C[C@@H](Sc1n[n-]c(=Nc2ccccc2F)s1)C(=O)OC ZINC000619686438 479856760 /nfs/dbraw/zinc/85/67/60/479856760.db2.gz KPQQTXVQCOWZGV-SNVBAGLBSA-N -1 0 325.390 2.662 20 30 EFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000629334015 480221700 /nfs/dbraw/zinc/22/17/00/480221700.db2.gz HBARBQSEPPEBTJ-SNVBAGLBSA-N -1 0 329.805 2.625 20 30 EFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000629334267 480222079 /nfs/dbraw/zinc/22/20/79/480222079.db2.gz NMVFJOUPXFJFAM-ZDUSSCGKSA-N -1 0 337.441 2.636 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610056480 480233451 /nfs/dbraw/zinc/23/34/51/480233451.db2.gz KEVFANTWTNLUGG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000614292153 480256313 /nfs/dbraw/zinc/25/63/13/480256313.db2.gz PGLOIXXZXZHGMP-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000610479245 480316545 /nfs/dbraw/zinc/31/65/45/480316545.db2.gz SGPSLLKATJIPGW-UHFFFAOYSA-N -1 0 334.401 2.604 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)[n-]1 ZINC000610561729 480336779 /nfs/dbraw/zinc/33/67/79/480336779.db2.gz BYWRHWPVWLDFBF-WBVHZDCISA-N -1 0 337.427 2.637 20 30 EFEDRM CCCC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(OC)cc1 ZINC000610560752 480336916 /nfs/dbraw/zinc/33/69/16/480336916.db2.gz JSPHXVAFJWFNLE-MRXNPFEDSA-N -1 0 341.415 2.775 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[n-]1 ZINC000610561564 480337442 /nfs/dbraw/zinc/33/74/42/480337442.db2.gz NFKBPCINYOMGOO-GFCCVEGCSA-N -1 0 347.831 2.726 20 30 EFEDRM CC(C)c1ccc(CCCNC(=O)N=c2[n-]n(C)cc2C#N)cc1 ZINC000610562476 480337867 /nfs/dbraw/zinc/33/78/67/480337867.db2.gz VMTPMWOTKLCGLI-UHFFFAOYSA-N -1 0 325.416 2.591 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)[n-]1 ZINC000610564785 480338813 /nfs/dbraw/zinc/33/88/13/480338813.db2.gz VYXJDPKSNLRPLL-CQSZACIVSA-N -1 0 348.410 2.606 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)[n-]1 ZINC000610564216 480338834 /nfs/dbraw/zinc/33/88/34/480338834.db2.gz GKXZYLAPHJEDJF-HNNXBMFYSA-N -1 0 327.363 2.516 20 30 EFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)[n-]1 ZINC000610652612 480355718 /nfs/dbraw/zinc/35/57/18/480355718.db2.gz ZJGREJHPROMSTF-FQEVSTJZSA-N -1 0 349.438 2.616 20 30 EFEDRM COCCCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000626466555 480368525 /nfs/dbraw/zinc/36/85/25/480368525.db2.gz FIHOHULFGWUXEC-CYBMUJFWSA-N -1 0 330.413 2.744 20 30 EFEDRM C=CCC[C@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000635515436 480435937 /nfs/dbraw/zinc/43/59/37/480435937.db2.gz RVPRNAAJSBNKKV-QFBILLFUSA-N -1 0 346.427 2.827 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1ccccc1S(=O)(=O)C(C)C ZINC000644635043 480487806 /nfs/dbraw/zinc/48/78/06/480487806.db2.gz PUFWJCUKXJCMKR-UHFFFAOYSA-N -1 0 331.459 2.577 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000634876293 480598918 /nfs/dbraw/zinc/59/89/18/480598918.db2.gz LLNUCHSRXGPCOX-GJZGRUSLSA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCc1cc(CNC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000634876294 480599028 /nfs/dbraw/zinc/59/90/28/480599028.db2.gz LLNUCHSRXGPCOX-HUUCEWRRSA-N -1 0 347.411 2.549 20 30 EFEDRM C=CCOc1cccnc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630264222 480638659 /nfs/dbraw/zinc/63/86/59/480638659.db2.gz CDMSLANCBAQYJP-AWEZNQCLSA-N -1 0 332.400 2.657 20 30 EFEDRM C=C(C)C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000630316810 480668036 /nfs/dbraw/zinc/66/80/36/480668036.db2.gz INTSSYQXKXXGTF-JTQLQIEISA-N -1 0 348.346 2.728 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)Cc1cc(F)ccc1Br)C(=O)[O-] ZINC000630319636 480668690 /nfs/dbraw/zinc/66/86/90/480668690.db2.gz DVMKZIBGOVREIF-GFCCVEGCSA-N -1 0 344.180 2.666 20 30 EFEDRM C=C(C)C[C@H](NC(=O)Cc1c(C)nc([C@H](C)CC)nc1C)C(=O)[O-] ZINC000630320725 480669963 /nfs/dbraw/zinc/66/99/63/480669963.db2.gz AQRWQRPNTXFQHO-ABAIWWIYSA-N -1 0 333.432 2.685 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cnc(OCC(C)C)c(Cl)c1)C(=O)[O-] ZINC000630320499 480670120 /nfs/dbraw/zinc/67/01/20/480670120.db2.gz XSJYENSHQPFTJS-ZDUSSCGKSA-N -1 0 340.807 2.919 20 30 EFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1)C(=O)[O-] ZINC000630326906 480672926 /nfs/dbraw/zinc/67/29/26/480672926.db2.gz SVSICBLOFPOVBD-PBHICJAKSA-N -1 0 347.411 2.511 20 30 EFEDRM C=CCOc1ccc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC000630333217 480675552 /nfs/dbraw/zinc/67/55/52/480675552.db2.gz TZEVZJFZXHKBLD-UHFFFAOYSA-N -1 0 343.383 2.792 20 30 EFEDRM C=C(C)C[C@@H](NC(=O)NCc1ccc(Br)s1)C(=O)[O-] ZINC000630472494 480732920 /nfs/dbraw/zinc/73/29/20/480732920.db2.gz MQJFFRJJDDDVLG-SECBINFHSA-N -1 0 347.234 2.729 20 30 EFEDRM C=C[C@@H](CC(=O)N1CCC(c2n[n-]c(=N)o2)CC1)c1ccccc1 ZINC000636132463 480816667 /nfs/dbraw/zinc/81/66/67/480816667.db2.gz TXRLNRBFFDEZNJ-ZDUSSCGKSA-N -1 0 326.400 2.548 20 30 EFEDRM C=CCOc1ccc(C(=O)N=c2[n-]nc([C@@H]3CCCO3)s2)cc1 ZINC000636350944 480913656 /nfs/dbraw/zinc/91/36/56/480913656.db2.gz AYCVMASBAVIQGK-ZDUSSCGKSA-N -1 0 331.397 2.629 20 30 EFEDRM C=C(C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000645986890 481006984 /nfs/dbraw/zinc/00/69/84/481006984.db2.gz QVFWBWQUGWANGK-UHFFFAOYSA-N -1 0 337.319 2.600 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000659065463 481198359 /nfs/dbraw/zinc/19/83/59/481198359.db2.gz XITRFMJGPPJXJV-TZMCWYRMSA-N -1 0 330.384 2.574 20 30 EFEDRM C=CCc1cc(CNC(=O)C(CC)(CC)C(=O)[O-])cc(OC)c1OC ZINC000653294642 481206726 /nfs/dbraw/zinc/20/67/26/481206726.db2.gz UVNVLXJCSNCNFC-UHFFFAOYSA-N -1 0 349.427 2.940 20 30 EFEDRM C=CCC1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCOCC1 ZINC000653327275 481229294 /nfs/dbraw/zinc/22/92/94/481229294.db2.gz URZOXJBZQPNOSI-HZPDHXFCSA-N -1 0 329.396 2.789 20 30 EFEDRM C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000650673500 481253443 /nfs/dbraw/zinc/25/34/43/481253443.db2.gz ATJGXEQVVIESQC-UHFFFAOYSA-N -1 0 331.459 2.940 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C)C(=O)[O-] ZINC000653472350 481270456 /nfs/dbraw/zinc/27/04/56/481270456.db2.gz MZOZOXYRVMEJLG-NHYWBVRUSA-N -1 0 333.432 2.685 20 30 EFEDRM C=CCC[C@@H](NC(=O)Cc1c(C)nc([C@H](C)CC)nc1C)C(=O)[O-] ZINC000653472349 481270656 /nfs/dbraw/zinc/27/06/56/481270656.db2.gz MZOZOXYRVMEJLG-IAQYHMDHSA-N -1 0 333.432 2.685 20 30 EFEDRM C=CCCC(C)(C)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000667065174 481292102 /nfs/dbraw/zinc/29/21/02/481292102.db2.gz BWFRIIIYANCWGD-UHFFFAOYSA-N -1 0 343.424 2.600 20 30 EFEDRM C=CCc1ccc(OCC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c(OC)c1 ZINC000659232614 481292269 /nfs/dbraw/zinc/29/22/69/481292269.db2.gz CCBKNJJDUBXNCC-VQIMIIECSA-N -1 0 347.411 2.562 20 30 EFEDRM C=CCCOCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000653665299 481397137 /nfs/dbraw/zinc/39/71/37/481397137.db2.gz LYOMPGGGTYZZOQ-NVXWUHKLSA-N -1 0 331.412 2.659 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cc(C)n(CC(F)(F)F)c1C)C(=O)[O-] ZINC000648345101 481477275 /nfs/dbraw/zinc/47/72/75/481477275.db2.gz SIPGQKGMFUNDIA-GFCCVEGCSA-N -1 0 332.322 2.816 20 30 EFEDRM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC(F)F ZINC000647379140 481792821 /nfs/dbraw/zinc/79/28/21/481792821.db2.gz CWTPWNBXJKESNS-MRVPVSSYSA-N -1 0 338.339 2.845 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cccc(OCC(F)F)c1)C(=O)[O-] ZINC000654800224 482056631 /nfs/dbraw/zinc/05/66/31/482056631.db2.gz MGUSPRSOVRWUCR-CYBMUJFWSA-N -1 0 342.342 2.549 20 30 EFEDRM C=C(C)CN(C)c1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649393766 482059012 /nfs/dbraw/zinc/05/90/12/482059012.db2.gz FQABPXTVVWFAQV-UHFFFAOYSA-N -1 0 334.445 2.772 20 30 EFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000663094845 482066611 /nfs/dbraw/zinc/06/66/11/482066611.db2.gz STCOOLSWJWFDOU-MRXNPFEDSA-N -1 0 342.395 2.550 20 30 EFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2c(c1)CCCCC2)C(=O)[O-] ZINC000649535914 482119643 /nfs/dbraw/zinc/11/96/43/482119643.db2.gz CNODAAPSSTWZMC-MRXNPFEDSA-N -1 0 332.400 2.733 20 30 EFEDRM C=CCC[C@@H](NC(=O)NCc1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000663269471 482146833 /nfs/dbraw/zinc/14/68/33/482146833.db2.gz OIDXASILDJIGHE-LLVKDONJSA-N -1 0 346.305 2.646 20 30 EFEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000663434703 482233238 /nfs/dbraw/zinc/23/32/38/482233238.db2.gz DDTUACMLFQRJMP-UHFFFAOYSA-N -1 0 337.441 2.826 20 30 EFEDRM CC(=O)c1cccc(OCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000083862096 518446252 /nfs/dbraw/zinc/44/62/52/518446252.db2.gz AUEAVXJXRUZPBN-UHFFFAOYSA-N -1 0 339.394 2.675 20 30 EFEDRM C=CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(OC)c1OC ZINC000262954464 534408561 /nfs/dbraw/zinc/40/85/61/534408561.db2.gz LMPBOCYZONKYLY-DOMZBBRYSA-N -1 0 347.411 2.615 20 30 EFEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cn1 ZINC000116710057 519763279 /nfs/dbraw/zinc/76/32/79/519763279.db2.gz KEHRBTKCQFFPKQ-UHFFFAOYSA-N -1 0 331.397 2.789 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C#N ZINC000263135957 519780741 /nfs/dbraw/zinc/78/07/41/519780741.db2.gz NQGLCEVWNJCYTI-GXTWGEPZSA-N -1 0 345.399 2.920 20 30 EFEDRM CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)c2cccnc2)cc1 ZINC000042322331 519837885 /nfs/dbraw/zinc/83/78/85/519837885.db2.gz FRYKKVKERWDNCK-UHFFFAOYSA-N -1 0 334.397 2.929 20 30 EFEDRM C=C[C@@H](C)NC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000362612892 534484051 /nfs/dbraw/zinc/48/40/51/534484051.db2.gz JIDAWHMDJZZRIU-SNVBAGLBSA-N -1 0 345.453 2.820 20 30 EFEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263130309 520866890 /nfs/dbraw/zinc/86/68/90/520866890.db2.gz NANRDWPDHCLQJP-WCQYABFASA-N -1 0 331.372 2.531 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000057125743 520870364 /nfs/dbraw/zinc/87/03/64/520870364.db2.gz NLLJGOQDYLTUIC-UHFFFAOYSA-N -1 0 344.392 2.693 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000057125711 520870792 /nfs/dbraw/zinc/87/07/92/520870792.db2.gz JRXPQIPSWYTGHP-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM C=CC1CCN(C(=O)c2ccc(OCC(=O)[O-])c(OCC)c2)CC1 ZINC000262713018 534527368 /nfs/dbraw/zinc/52/73/68/534527368.db2.gz CZGSFBRPTDDOLA-UHFFFAOYSA-N -1 0 333.384 2.587 20 30 EFEDRM CCN(Cc1ccccc1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000121047556 521369276 /nfs/dbraw/zinc/36/92/76/521369276.db2.gz BTOOJSTXFYWODI-UHFFFAOYSA-N -1 0 327.409 2.631 20 30 EFEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000180064837 521434858 /nfs/dbraw/zinc/43/48/58/521434858.db2.gz NYVDAAZONBUBBJ-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1 ZINC000183397308 521529310 /nfs/dbraw/zinc/52/93/10/521529310.db2.gz GSQNSAQHUCFOEZ-UHFFFAOYSA-N -1 0 348.355 2.675 20 30 EFEDRM C=CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCOCC1 ZINC000425258105 534586271 /nfs/dbraw/zinc/58/62/71/534586271.db2.gz QRZRKYXFAGZTGD-IAGOWNOFSA-N -1 0 343.423 2.686 20 30 EFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC000184764482 522047206 /nfs/dbraw/zinc/04/72/06/522047206.db2.gz PUBQZVFDUQAVAT-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120956409 522274803 /nfs/dbraw/zinc/27/48/03/522274803.db2.gz WJJFTYGQZJXLQN-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM C=C[C@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1)c1ccccc1 ZINC000262954030 534674098 /nfs/dbraw/zinc/67/40/98/534674098.db2.gz NEJJWXQPAVPTEI-RHSMWYFYSA-N -1 0 331.412 2.590 20 30 EFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1C ZINC000435483401 534718393 /nfs/dbraw/zinc/71/83/93/534718393.db2.gz KXOYQYVBADSRIF-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nc(C(=O)OC)c(C2CC2)s1 ZINC000427784764 534745461 /nfs/dbraw/zinc/74/54/61/534745461.db2.gz ZOBSHCJKKXLOOB-UHFFFAOYSA-N -1 0 330.431 2.515 20 30 EFEDRM C=CCCCS(=O)(=O)[N-]c1nnc(Cc2cccc(F)c2)o1 ZINC000427794725 534745615 /nfs/dbraw/zinc/74/56/15/534745615.db2.gz VPRXHCKGPLAPNK-UHFFFAOYSA-N -1 0 325.365 2.507 20 30 EFEDRM CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120552786 523996338 /nfs/dbraw/zinc/99/63/38/523996338.db2.gz HSKKQYIGKVGJAI-UHFFFAOYSA-N -1 0 331.353 2.830 20 30 EFEDRM CCc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000152967296 524017456 /nfs/dbraw/zinc/01/74/56/524017456.db2.gz YTMKQTYHCOWUSJ-UHFFFAOYSA-N -1 0 348.355 2.759 20 30 EFEDRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000130289259 524160811 /nfs/dbraw/zinc/16/08/11/524160811.db2.gz OQHYHFHIYVEPDD-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1CC)C(=O)[O-] ZINC000262892979 534795033 /nfs/dbraw/zinc/79/50/33/534795033.db2.gz LONULMBAJMRQQZ-OAHLLOKOSA-N -1 0 345.374 2.723 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000130292446 524690901 /nfs/dbraw/zinc/69/09/01/524690901.db2.gz SKXURPFNRDJKGO-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000121265020 524698305 /nfs/dbraw/zinc/69/83/05/524698305.db2.gz VCHYMPRJDYDKCT-UHFFFAOYSA-N -1 0 347.352 2.584 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1C#N ZINC000178596101 524805573 /nfs/dbraw/zinc/80/55/73/524805573.db2.gz NVMFUYFTXBXPNM-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1C ZINC000120497384 525304975 /nfs/dbraw/zinc/30/49/75/525304975.db2.gz HMFOLWLPKONXCS-UHFFFAOYSA-N -1 0 331.353 2.884 20 30 EFEDRM C=CCOC[C@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000263168885 534880216 /nfs/dbraw/zinc/88/02/16/534880216.db2.gz YOHLDEMMXBYKBM-KRWDZBQOSA-N -1 0 348.443 2.996 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(C#N)c2)c1 ZINC000058187469 526243523 /nfs/dbraw/zinc/24/35/23/526243523.db2.gz JBPOSNIYZIKTRX-CMDGGOBGSA-N -1 0 342.376 2.925 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000084025696 526546290 /nfs/dbraw/zinc/54/62/90/526546290.db2.gz WFSYCYJTTVHVJD-JOYOIKCWSA-N -1 0 330.406 2.532 20 30 EFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000180736531 526562521 /nfs/dbraw/zinc/56/25/21/526562521.db2.gz KIHSUBVODYRGLM-UHFFFAOYSA-N -1 0 348.355 2.659 20 30 EFEDRM C=CCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160757622 526639262 /nfs/dbraw/zinc/63/92/62/526639262.db2.gz AYWIJWXPHNMWBO-UHFFFAOYSA-N -1 0 334.995 2.833 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cn1 ZINC000180217459 526683962 /nfs/dbraw/zinc/68/39/62/526683962.db2.gz DZFWTKIPEDFWCV-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc1 ZINC000088547666 526685764 /nfs/dbraw/zinc/68/57/64/526685764.db2.gz CSPTXWMTIYMMPR-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263245450 526733155 /nfs/dbraw/zinc/73/31/55/526733155.db2.gz OGLYNXSMVWVWGN-KRWDZBQOSA-N -1 0 349.390 2.841 20 30 EFEDRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231728111 526771956 /nfs/dbraw/zinc/77/19/56/526771956.db2.gz RXXZGSQYYJNPOA-UHFFFAOYSA-N -1 0 335.147 2.528 20 30 EFEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000164611298 527011462 /nfs/dbraw/zinc/01/14/62/527011462.db2.gz BUGAQMUUZNBLGC-ZDUSSCGKSA-N -1 0 334.441 2.700 20 30 EFEDRM C=CCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000178101332 527079601 /nfs/dbraw/zinc/07/96/01/527079601.db2.gz ZTTQLSNXPYNDOC-UHFFFAOYSA-N -1 0 337.426 2.849 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)C[C@H](C)CC)cc2[n-]c1=S ZINC000171866836 527334865 /nfs/dbraw/zinc/33/48/65/527334865.db2.gz OBZCIEQNVIQAFI-GFCCVEGCSA-N -1 0 345.468 2.989 20 30 EFEDRM Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000058465107 527603209 /nfs/dbraw/zinc/60/32/09/527603209.db2.gz FVGJVMUIZFPSKP-BQYQJAHWSA-N -1 0 328.368 2.787 20 30 EFEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000160106887 528482020 /nfs/dbraw/zinc/48/20/20/528482020.db2.gz DCVPQYIWLZMGRE-UHFFFAOYSA-N -1 0 346.412 2.729 20 30 EFEDRM CC(C)n1cc(Br)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000175296377 528546754 /nfs/dbraw/zinc/54/67/54/528546754.db2.gz DEXIJWZWBPFNFS-UHFFFAOYSA-N -1 0 347.176 2.550 20 30 EFEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357398447 535595588 /nfs/dbraw/zinc/59/55/88/535595588.db2.gz RTGHSCIECGTZDG-UHFFFAOYSA-N -1 0 341.396 2.514 20 30 EFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000349943700 536657467 /nfs/dbraw/zinc/65/74/67/536657467.db2.gz JIAHBTXMXGWRSP-UHFFFAOYSA-N -1 0 349.412 2.794 20 30 EFEDRM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000355066860 536854818 /nfs/dbraw/zinc/85/48/18/536854818.db2.gz VMNRAQJUMGTVPB-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1nnc2n1CCCCC2 ZINC000192541433 545526989 /nfs/dbraw/zinc/52/69/89/545526989.db2.gz ZZFWJGHPHOGZII-GFCCVEGCSA-N -1 0 325.372 2.750 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324468077 545821329 /nfs/dbraw/zinc/82/13/29/545821329.db2.gz AEVKGVHWWXVGDF-IBGZPJMESA-N -1 0 325.364 2.981 20 30 EFEDRM Cc1cc(N=C([O-])[C@@H]2CCCN2C(=O)c2cccs2)cn(C)c1=O ZINC000330187996 545847044 /nfs/dbraw/zinc/84/70/44/545847044.db2.gz KVHNPCDUUOLRJV-ZDUSSCGKSA-N -1 0 345.424 2.648 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nnc4ccccc4n3)nc21 ZINC000355166806 546077872 /nfs/dbraw/zinc/07/78/72/546077872.db2.gz HDYRYULEHQUQQL-LLVKDONJSA-N -1 0 328.335 2.700 20 30 EFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000656717055 546899455 /nfs/dbraw/zinc/89/94/55/546899455.db2.gz INUGZXDSHRNKRW-GDBMZVCRSA-N -1 0 337.441 2.939 20 30 EFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000656717064 546899647 /nfs/dbraw/zinc/89/96/47/546899647.db2.gz INUGZXDSHRNKRW-ZBFHGGJFSA-N -1 0 337.441 2.939 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1 ZINC000678027121 548822717 /nfs/dbraw/zinc/82/27/17/548822717.db2.gz BQKQSRRLRGBUOX-SNVBAGLBSA-N -1 0 344.325 2.923 20 30 EFEDRM CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1 ZINC000678027108 548822850 /nfs/dbraw/zinc/82/28/50/548822850.db2.gz BQKQSRRLRGBUOX-JTQLQIEISA-N -1 0 344.325 2.923 20 30 EFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678990581 549033168 /nfs/dbraw/zinc/03/31/68/549033168.db2.gz UNEOWTHRABAXCN-INIZCTEOSA-N -1 0 329.327 2.946 20 30 EFEDRM C=CCOc1ccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000679096003 549053914 /nfs/dbraw/zinc/05/39/14/549053914.db2.gz MGWWJYAFSXAFDK-UHFFFAOYSA-N -1 0 341.363 2.758 20 30 EFEDRM C=CC[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC000681558630 549566806 /nfs/dbraw/zinc/56/68/06/549566806.db2.gz UJAXUVNUHWUFGI-OAHLLOKOSA-N -1 0 331.393 2.661 20 30 EFEDRM COCCn1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1 ZINC000682235215 549716338 /nfs/dbraw/zinc/71/63/38/549716338.db2.gz WPHAZQDNIAYOCQ-LLVKDONJSA-N -1 0 344.371 2.768 20 30 EFEDRM C=CCOc1cc(OC)ccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000683317476 549881788 /nfs/dbraw/zinc/88/17/88/549881788.db2.gz YTXBNAAEPBXKQE-UHFFFAOYSA-N -1 0 333.384 2.635 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000683326149 549883196 /nfs/dbraw/zinc/88/31/96/549883196.db2.gz YHHULYYRNMTGHZ-ZDUSSCGKSA-N -1 0 332.400 2.609 20 30 EFEDRM O=C([O-])c1cc(NN=C2C(=O)Nc3c2cccc3F)ccc1Cl ZINC000753956182 575366102 /nfs/dbraw/zinc/36/61/02/575366102.db2.gz VGFFEOZSDSRURU-UHFFFAOYSA-N -1 0 333.706 2.946 20 30 EFEDRM CC(C)Cc1nc(C#N)c([N-]N=C2c3cccc(F)c3NC2=O)o1 ZINC000753959130 575366491 /nfs/dbraw/zinc/36/64/91/575366491.db2.gz DLLRYEZGBBZXKW-UHFFFAOYSA-N -1 0 327.319 2.652 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC000753999704 575373746 /nfs/dbraw/zinc/37/37/46/575373746.db2.gz XUGNRNQPURBGPA-UHFFFAOYSA-N -1 0 347.440 2.551 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CCCC#N ZINC000754003248 575374172 /nfs/dbraw/zinc/37/41/72/575374172.db2.gz ZYJDLSWVKHHTPW-KGLIPLIRSA-N -1 0 334.441 2.726 20 30 EFEDRM O=[N+]([O-])c1cc(CN=Nc2ccc(C(F)(F)F)nn2)ccc1[O-] ZINC000754710982 575475294 /nfs/dbraw/zinc/47/52/94/575475294.db2.gz PMLGNGBZTBGZPG-UHFFFAOYSA-N -1 0 327.222 2.555 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)c2ccncc2)n1 ZINC000754942915 575517460 /nfs/dbraw/zinc/51/74/60/575517460.db2.gz ARYBKZRHNUCDLO-FZMZJTMJSA-N -1 0 343.408 2.760 20 30 EFEDRM CCCn1nc(C)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1C ZINC000755510543 575594113 /nfs/dbraw/zinc/59/41/13/575594113.db2.gz HNDZQBQNKXXURV-UHFFFAOYSA-N -1 0 332.355 2.691 20 30 EFEDRM O=C([O-])c1csc(C=NNC(=S)NCc2ccc(F)cc2)c1 ZINC000755618770 575609292 /nfs/dbraw/zinc/60/92/92/575609292.db2.gz CHJBFQNCYAIBFY-UHFFFAOYSA-N -1 0 337.401 2.584 20 30 EFEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755886305 575649571 /nfs/dbraw/zinc/64/95/71/575649571.db2.gz JYXXLYPULJHSNP-UHFFFAOYSA-N -1 0 348.490 2.634 20 30 EFEDRM C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)OCC ZINC000756578989 575765007 /nfs/dbraw/zinc/76/50/07/575765007.db2.gz HZFLDDDIDUZRHR-AWEZNQCLSA-N -1 0 345.848 2.657 20 30 EFEDRM CCC(N=Nc1nc(C)cc(OC)n1)c1cc(C(=O)[O-])ccc1F ZINC000756895329 575797812 /nfs/dbraw/zinc/79/78/12/575797812.db2.gz MYLHRISAPXRPLX-UHFFFAOYSA-N -1 0 332.335 2.857 20 30 EFEDRM CCc1cccc2c1NC(=O)C2=NNc1ccc(C(=O)[O-])cc1OC ZINC000756898984 575798482 /nfs/dbraw/zinc/79/84/82/575798482.db2.gz KMKZWWAJKNIMAS-UHFFFAOYSA-N -1 0 339.351 2.724 20 30 EFEDRM COCCOc1cccc(CN=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756898918 575798501 /nfs/dbraw/zinc/79/85/01/575798501.db2.gz HWVRPURZIGCBTJ-UHFFFAOYSA-N -1 0 344.367 2.865 20 30 EFEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1c(C)ccc2F ZINC000756901695 575798896 /nfs/dbraw/zinc/79/88/96/575798896.db2.gz WUPXZQONKKBUHJ-UHFFFAOYSA-N -1 0 343.314 2.609 20 30 EFEDRM COc1cccc(OC)c1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000756901087 575798962 /nfs/dbraw/zinc/79/89/62/575798962.db2.gz JCSQAIYZKUMRGW-UHFFFAOYSA-N -1 0 330.340 2.857 20 30 EFEDRM COc1ccc(O)c(C(C)=NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756905544 575799708 /nfs/dbraw/zinc/79/97/08/575799708.db2.gz CMPXFKQVNQXQFO-UHFFFAOYSA-N -1 0 330.340 2.944 20 30 EFEDRM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000756965104 575806217 /nfs/dbraw/zinc/80/62/17/575806217.db2.gz ABEWQZOOYOTCRH-UHFFFAOYSA-N -1 0 346.580 2.758 20 30 EFEDRM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000756980526 575807635 /nfs/dbraw/zinc/80/76/35/575807635.db2.gz NPVGLBLHBFEERJ-AWEZNQCLSA-N -1 0 348.355 2.777 20 30 EFEDRM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758116409 575860152 /nfs/dbraw/zinc/86/01/52/575860152.db2.gz FGOFDFMGQNDBKI-UHFFFAOYSA-N -1 0 339.311 2.785 20 30 EFEDRM CCC(N=Nc1ccc(C(=O)OC)cn1)c1cc(C(=O)[O-])ccc1F ZINC000758126921 575860401 /nfs/dbraw/zinc/86/04/01/575860401.db2.gz KTSQGNHOTKZHEE-UHFFFAOYSA-N -1 0 345.330 2.932 20 30 EFEDRM COC(=O)[C@H](C)Oc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000758360079 575867727 /nfs/dbraw/zinc/86/77/27/575867727.db2.gz UTKRPTDNVRQCDK-LBPRGKRZSA-N -1 0 342.351 2.771 20 30 EFEDRM C[C@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000758379926 575868182 /nfs/dbraw/zinc/86/81/82/575868182.db2.gz ZQEPXFLANVEMHO-WDEREUQCSA-N -1 0 336.442 2.998 20 30 EFEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000758580749 575873277 /nfs/dbraw/zinc/87/32/77/575873277.db2.gz SGEVOYSHXZNXNY-UHFFFAOYSA-N -1 0 327.450 2.812 20 30 EFEDRM CCc1c2cc(C)ccc2oc1C(=O)/C=C/c1cn(CC(=O)[O-])nn1 ZINC000759075372 575884135 /nfs/dbraw/zinc/88/41/35/575884135.db2.gz LHHUCSADGOHOLP-AATRIKPKSA-N -1 0 339.351 2.876 20 30 EFEDRM COC(=O)c1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000759091728 575884414 /nfs/dbraw/zinc/88/44/14/575884414.db2.gz SIQAORGUKUPIQT-XBXARRHUSA-N -1 0 327.292 2.983 20 30 EFEDRM O=C(/C=C/c1ccccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090804 575884445 /nfs/dbraw/zinc/88/44/45/575884445.db2.gz MSCCQFKVSCYHNM-FNORWQNLSA-N -1 0 336.307 2.777 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1OC)c1ccccc1 ZINC000759380480 575890550 /nfs/dbraw/zinc/89/05/50/575890550.db2.gz AIUSOJMQSPQXLX-AWEZNQCLSA-N -1 0 345.420 2.860 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000759429747 575891579 /nfs/dbraw/zinc/89/15/79/575891579.db2.gz AVHDWYNKMMJIHL-QMMMGPOBSA-N -1 0 332.228 2.585 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1(C)CC1 ZINC000759442329 575891873 /nfs/dbraw/zinc/89/18/73/575891873.db2.gz YSSCXWJXHIWXBA-LBPRGKRZSA-N -1 0 330.384 2.890 20 30 EFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(Cl)cs2)c1 ZINC000759454643 575892158 /nfs/dbraw/zinc/89/21/58/575892158.db2.gz HZHJUUDUXZHKOH-UHFFFAOYSA-N -1 0 340.813 2.533 20 30 EFEDRM C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cccc(C#N)c1 ZINC000759465224 575892401 /nfs/dbraw/zinc/89/24/01/575892401.db2.gz VZYKYKYFZDRFRW-VIFPVBQESA-N -1 0 328.290 2.620 20 30 EFEDRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000759551197 575899430 /nfs/dbraw/zinc/89/94/30/575899430.db2.gz TZSSEPRFLXXIOY-UHFFFAOYSA-N -1 0 328.821 2.843 20 30 EFEDRM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713247 575925060 /nfs/dbraw/zinc/92/50/60/575925060.db2.gz JRCBMLGDKNILPH-STQMWFEESA-N -1 0 345.399 2.896 20 30 EFEDRM CC1=CC(=O)C(=C([O-])C=Cc2nc3ccc(F)cc3s2)C(=O)O1 ZINC000761476144 576167714 /nfs/dbraw/zinc/16/77/14/576167714.db2.gz RKUKZJJAODILRU-RGDDUWESSA-N -1 0 331.324 2.664 20 30 EFEDRM CCC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc(O)c(F)c1 ZINC000761835631 576217222 /nfs/dbraw/zinc/21/72/22/576217222.db2.gz MZLYYIMQGOTVPD-UHFFFAOYSA-N -1 0 326.335 2.733 20 30 EFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000761954548 576233606 /nfs/dbraw/zinc/23/36/06/576233606.db2.gz SAIZDRSJXOFCRS-UHFFFAOYSA-N -1 0 340.763 2.687 20 30 EFEDRM C#CCCc1noc(-c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)n1 ZINC000762015854 576243146 /nfs/dbraw/zinc/24/31/46/576243146.db2.gz FLDHOLAVUYPUJP-UHFFFAOYSA-N -1 0 345.302 2.564 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000762021040 576244419 /nfs/dbraw/zinc/24/44/19/576244419.db2.gz IOHAHABYMAKOHC-UHFFFAOYSA-N -1 0 330.359 2.946 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000762427117 576301299 /nfs/dbraw/zinc/30/12/99/576301299.db2.gz LJOXZAYDRKRWGK-UHFFFAOYSA-N -1 0 346.246 2.751 20 30 EFEDRM CS[C@H](C)CCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000762929810 576348503 /nfs/dbraw/zinc/34/85/03/576348503.db2.gz RLTRPRFQOKZXTD-MNOVXSKESA-N -1 0 326.443 2.703 20 30 EFEDRM CS[C@@H](C)CCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000762929811 576348543 /nfs/dbraw/zinc/34/85/43/576348543.db2.gz RLTRPRFQOKZXTD-QWRGUYRKSA-N -1 0 326.443 2.703 20 30 EFEDRM COc1cc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c(OC)cc1O ZINC000763107561 576361776 /nfs/dbraw/zinc/36/17/76/576361776.db2.gz ZFKHJKRFLJQICJ-HWKANZROSA-N -1 0 345.307 2.919 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(F)cc1Br ZINC000763137540 576363942 /nfs/dbraw/zinc/36/39/42/576363942.db2.gz KRBLNDZYJXBJKP-UHFFFAOYSA-N -1 0 340.156 2.623 20 30 EFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ncc(Br)s1 ZINC000763369451 576374512 /nfs/dbraw/zinc/37/45/12/576374512.db2.gz GBTUGXQNDGMSIL-UHFFFAOYSA-N -1 0 341.190 2.835 20 30 EFEDRM COc1ccc(CC(C)N=Nc2ccc(C(=O)[O-])cn2)cc1OC ZINC000763371926 576374589 /nfs/dbraw/zinc/37/45/89/576374589.db2.gz MDRWWEOVSHBPHL-UHFFFAOYSA-N -1 0 329.356 2.828 20 30 EFEDRM COc1cc(/C=C/C(=O)c2cncc(F)c2)ccc1OCCC(=O)[O-] ZINC000763373453 576374811 /nfs/dbraw/zinc/37/48/11/576374811.db2.gz LMZKYTFCQTVKLF-DUXPYHPUSA-N -1 0 345.326 2.979 20 30 EFEDRM COc1nccnc1[N-]N=C1c2ccccc2N(CCC(C)C)C1=O ZINC000763421713 576376870 /nfs/dbraw/zinc/37/68/70/576376870.db2.gz HVTCLJBPFACWET-UHFFFAOYSA-N -1 0 339.399 2.694 20 30 EFEDRM CNC(=S)NN=C(C)c1cc(Br)cc(Cl)c1[O-] ZINC000764646574 576484560 /nfs/dbraw/zinc/48/45/60/576484560.db2.gz AYGGBMVQNKFKIH-UHFFFAOYSA-N -1 0 336.642 2.626 20 30 EFEDRM CC(=NN1CCN(C)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000764650188 576484941 /nfs/dbraw/zinc/48/49/41/576484941.db2.gz STCZSKZIKVEFSV-UHFFFAOYSA-N -1 0 346.656 2.780 20 30 EFEDRM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cccc(C(=O)[O-])c1 ZINC000764682508 576488645 /nfs/dbraw/zinc/48/86/45/576488645.db2.gz NDRXFEPPLKEIAL-UHFFFAOYSA-N -1 0 332.381 2.624 20 30 EFEDRM O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1cnnc2ccccc21 ZINC000765577387 577055739 /nfs/dbraw/zinc/05/57/39/577055739.db2.gz NLZQNZVWNBXHCV-UHFFFAOYSA-N -1 0 332.323 2.650 20 30 EFEDRM Cc1[nH]c(=O)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1Br ZINC000765985657 577095724 /nfs/dbraw/zinc/09/57/24/577095724.db2.gz LNFGOTPNFKSQEV-UHFFFAOYSA-N -1 0 348.156 2.688 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CCC(C(F)(F)F)CC1)[n-]c2=O ZINC000766025914 577099496 /nfs/dbraw/zinc/09/94/96/577099496.db2.gz WIPSJAIQPNOANV-UHFFFAOYSA-N -1 0 328.298 2.589 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)ccc1C#N ZINC000766546826 577164840 /nfs/dbraw/zinc/16/48/40/577164840.db2.gz DUZOIJXSWOVHJQ-UHFFFAOYSA-N -1 0 340.408 2.605 20 30 EFEDRM CCCn1cc(C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)nn1 ZINC000766617740 577171468 /nfs/dbraw/zinc/17/14/68/577171468.db2.gz NJRLMXFVLXYYOF-ZDUSSCGKSA-N -1 0 335.367 2.683 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CCC(=O)[O-])C2CC2)cc1OC ZINC000766913285 577187549 /nfs/dbraw/zinc/18/75/49/577187549.db2.gz IYIWAOCEKNPTCM-UITAMQMPSA-N -1 0 345.395 2.739 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N(CC(=O)[O-])CC(C)C)cc1OC ZINC000766924913 577188257 /nfs/dbraw/zinc/18/82/57/577188257.db2.gz UAXSKEBADMYAPI-CLFYSBASSA-N -1 0 347.411 2.842 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2ccc(SC(F)(F)F)cc2)c1=O ZINC000767105056 577196504 /nfs/dbraw/zinc/19/65/04/577196504.db2.gz KGZHWZPHCSASIO-UHFFFAOYSA-N -1 0 346.359 2.730 20 30 EFEDRM Cn1ncc2c1nc(N=NCC1CCC(C(F)(F)F)CC1)[n-]c2=O ZINC000767378738 577206897 /nfs/dbraw/zinc/20/68/97/577206897.db2.gz QNALQHLJOBGPEN-UHFFFAOYSA-N -1 0 342.325 2.835 20 30 EFEDRM CC(=O)c1cccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000767442615 577208629 /nfs/dbraw/zinc/20/86/29/577208629.db2.gz IWKICVPXQWGAJN-AWEZNQCLSA-N -1 0 342.376 2.687 20 30 EFEDRM COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737983354 577221185 /nfs/dbraw/zinc/22/11/85/577221185.db2.gz UNEMSHSWSRDGQD-QKIXSCASSA-N -1 0 337.331 2.949 20 30 EFEDRM COC(=O)c1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000767728779 577230626 /nfs/dbraw/zinc/23/06/26/577230626.db2.gz HRCQKLIYADMEAW-NYYWCZLTSA-N -1 0 340.331 2.833 20 30 EFEDRM COc1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c([N+](=O)[O-])c1 ZINC000767801156 577234837 /nfs/dbraw/zinc/23/48/37/577234837.db2.gz GLDKNKVTPSDLMN-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000768001753 577248588 /nfs/dbraw/zinc/24/85/88/577248588.db2.gz UDSJWIQBFMHLSG-UHFFFAOYSA-N -1 0 331.796 2.786 20 30 EFEDRM CCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(O)c1 ZINC000725857654 577252487 /nfs/dbraw/zinc/25/24/87/577252487.db2.gz AKKARBPEGVVIQJ-UHFFFAOYSA-N -1 0 341.392 2.672 20 30 EFEDRM CN(C)c1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000725859429 577253521 /nfs/dbraw/zinc/25/35/21/577253521.db2.gz NZWKAMVJYFLANK-UHFFFAOYSA-N -1 0 330.438 2.695 20 30 EFEDRM COc1ccc(C)cc1C=Nn1c(=O)c2ccccc2[n-]c1=S ZINC000725860025 577253745 /nfs/dbraw/zinc/25/37/45/577253745.db2.gz UWCJZDYSIPZZKZ-UHFFFAOYSA-N -1 0 325.393 2.884 20 30 EFEDRM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1OC ZINC000725860068 577253819 /nfs/dbraw/zinc/25/38/19/577253819.db2.gz WDAFMAMVXVUEFP-UHFFFAOYSA-N -1 0 341.392 2.585 20 30 EFEDRM N#Cc1cc(Cl)nc(N=NCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000768381712 577270429 /nfs/dbraw/zinc/27/04/29/577270429.db2.gz LOSYEFKPRYBWEV-UHFFFAOYSA-N -1 0 330.731 2.516 20 30 EFEDRM Cc1oc(CN(C)C(=O)NCc2ccc(C#N)cc2F)cc1C(=O)[O-] ZINC000738967061 577343294 /nfs/dbraw/zinc/34/32/94/577343294.db2.gz IWTQSEYKQCFZLD-UHFFFAOYSA-N -1 0 345.330 2.639 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(F)cc2C#N)cc(C(=O)[O-])c1 ZINC000737676478 577344383 /nfs/dbraw/zinc/34/43/83/577344383.db2.gz YGVBFTKENQPZEA-UHFFFAOYSA-N -1 0 329.283 2.761 20 30 EFEDRM Cc1csc(CCC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)n1 ZINC000769498967 577367381 /nfs/dbraw/zinc/36/73/81/577367381.db2.gz FSUOBVNKEYTMHH-LLVKDONJSA-N -1 0 349.437 2.569 20 30 EFEDRM Cc1csc(CCC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)n1 ZINC000769498971 577367507 /nfs/dbraw/zinc/36/75/07/577367507.db2.gz FSUOBVNKEYTMHH-NSHDSACASA-N -1 0 349.437 2.569 20 30 EFEDRM C[C@H](Oc1cccc(C=NN2CCc3ccccc3C2=O)c1)C(=O)[O-] ZINC000769597451 577374011 /nfs/dbraw/zinc/37/40/11/577374011.db2.gz IJSRUUXAKDWPFF-ZDUSSCGKSA-N -1 0 338.363 2.571 20 30 EFEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1nnnn1CC1CC1 ZINC000769718864 577380942 /nfs/dbraw/zinc/38/09/42/577380942.db2.gz VJSIYVQXFJYCNI-BNCCVWRVSA-N -1 0 326.187 2.715 20 30 EFEDRM C=CCCCCNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000769728144 577381330 /nfs/dbraw/zinc/38/13/30/577381330.db2.gz MXGDJWJVOUFEST-UHFFFAOYSA-N -1 0 331.821 2.981 20 30 EFEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2-n2cncn2)s1 ZINC000726743513 577382726 /nfs/dbraw/zinc/38/27/26/577382726.db2.gz KQULKBROTOUZHU-WAYWQWQTSA-N -1 0 325.349 2.923 20 30 EFEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2-n2cncn2)cc1 ZINC000726744146 577382887 /nfs/dbraw/zinc/38/28/87/577382887.db2.gz UQHLGTJOFPESGF-KTKRTIGZSA-N -1 0 333.347 2.791 20 30 EFEDRM COc1cc(/C=C\C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000769771897 577384297 /nfs/dbraw/zinc/38/42/97/577384297.db2.gz SZPUYPLDYVZZSO-PLNGDYQASA-N -1 0 347.279 2.556 20 30 EFEDRM CCn1nc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c2ccccc21 ZINC000769778468 577384344 /nfs/dbraw/zinc/38/43/44/577384344.db2.gz RUERQBCAKNQQTJ-UHFFFAOYSA-N -1 0 340.334 2.837 20 30 EFEDRM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(N)cc1 ZINC000769810226 577387029 /nfs/dbraw/zinc/38/70/29/577387029.db2.gz NCYONUDTCHLSTH-UHFFFAOYSA-N -1 0 339.403 2.705 20 30 EFEDRM CN(C)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1F ZINC000770099456 577402059 /nfs/dbraw/zinc/40/20/59/577402059.db2.gz NTZUZOIAYRAUOP-HNNXBMFYSA-N -1 0 339.370 2.531 20 30 EFEDRM CCN(c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1)C(C)C ZINC000770156891 577404957 /nfs/dbraw/zinc/40/49/57/577404957.db2.gz KZWVZDFESBMKFT-MRXNPFEDSA-N -1 0 338.411 2.860 20 30 EFEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000738347637 577405972 /nfs/dbraw/zinc/40/59/72/577405972.db2.gz QWZYDWDCPGMOBT-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM CC(C)COc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000770863936 581142798 /nfs/dbraw/zinc/14/27/98/581142798.db2.gz YMXWBXJOTSSCRU-HNNXBMFYSA-N -1 0 325.368 2.660 20 30 EFEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000770868170 581143518 /nfs/dbraw/zinc/14/35/18/581143518.db2.gz FGZPYHOQOCTYMK-SNVBAGLBSA-N -1 0 330.413 2.688 20 30 EFEDRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771074185 581171565 /nfs/dbraw/zinc/17/15/65/581171565.db2.gz PWYDUTZLKSLFTR-UHFFFAOYSA-N -1 0 346.408 2.803 20 30 EFEDRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771074316 581171589 /nfs/dbraw/zinc/17/15/89/581171589.db2.gz KJEZXJCHYXAMMX-CQSZACIVSA-N -1 0 348.468 2.882 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000771073372 581171727 /nfs/dbraw/zinc/17/17/27/581171727.db2.gz HVLVDGVEPWNDQT-UHFFFAOYSA-N -1 0 347.223 2.747 20 30 EFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CCCCC1 ZINC000771075181 581171962 /nfs/dbraw/zinc/17/19/62/581171962.db2.gz HFQNFYKGOSYXIB-ZDUSSCGKSA-N -1 0 326.462 2.733 20 30 EFEDRM CC(C)(C)c1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000771076936 581172165 /nfs/dbraw/zinc/17/21/65/581172165.db2.gz AQXVSPRIRYFMJL-UHFFFAOYSA-N -1 0 348.468 2.666 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 ZINC000771081892 581173011 /nfs/dbraw/zinc/17/30/11/581173011.db2.gz UQAFYQZGTCNJTN-RBSFLKMASA-N -1 0 338.473 2.733 20 30 EFEDRM Cc1cc(=O)[n-]c(N=NCC(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)n1 ZINC000771098816 581175143 /nfs/dbraw/zinc/17/51/43/581175143.db2.gz QKGOURXIVOYFKR-CQSZACIVSA-N -1 0 343.387 2.975 20 30 EFEDRM Cc1cc(COc2ccc(C=NNC[C@H](C)C#N)cc2)oc1C(=O)[O-] ZINC000771104889 581175848 /nfs/dbraw/zinc/17/58/48/581175848.db2.gz WMBNWGURQKPOQU-GFCCVEGCSA-N -1 0 341.367 2.948 20 30 EFEDRM C[C@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000772337865 581310395 /nfs/dbraw/zinc/31/03/95/581310395.db2.gz ARSJEAKBPISCBL-MRVPVSSYSA-N -1 0 325.246 2.666 20 30 EFEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000772645418 581351015 /nfs/dbraw/zinc/35/10/15/581351015.db2.gz ZLGDIJZZLWYUHW-OAHLLOKOSA-N -1 0 336.395 2.638 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000772711061 581358548 /nfs/dbraw/zinc/35/85/48/581358548.db2.gz SZOYAMOXUTVFGU-UHFFFAOYSA-N -1 0 335.406 2.553 20 30 EFEDRM COc1cc(/C=C2/C(=O)Nc3cc(C#N)ccc32)cc([N+](=O)[O-])c1[O-] ZINC000773158975 581401513 /nfs/dbraw/zinc/40/15/13/581401513.db2.gz GFFNROIDFQOYDB-UUILKARUSA-N -1 0 337.291 2.673 20 30 EFEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cccc(OCCC(=O)[O-])c1 ZINC000773163810 581402001 /nfs/dbraw/zinc/40/20/01/581402001.db2.gz YGNWLJKKXSBNOD-CXUHLZMHSA-N -1 0 334.331 2.904 20 30 EFEDRM CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000773792428 581464782 /nfs/dbraw/zinc/46/47/82/581464782.db2.gz IWCOATFWEREBJW-VIFPVBQESA-N -1 0 346.861 2.548 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000774029108 581479538 /nfs/dbraw/zinc/47/95/38/581479538.db2.gz KTBNODQIRBIUHZ-UHFFFAOYSA-N -1 0 347.440 2.805 20 30 EFEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000774041889 581479953 /nfs/dbraw/zinc/47/99/53/581479953.db2.gz BSMSWFHZMYNXFO-CQSZACIVSA-N -1 0 345.374 2.555 20 30 EFEDRM N#CCCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c2ccccc21 ZINC000774042126 581479957 /nfs/dbraw/zinc/47/99/57/581479957.db2.gz FFLCDBGOBBIHPK-MRXNPFEDSA-N -1 0 348.406 2.890 20 30 EFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1Cl ZINC000774052156 581480514 /nfs/dbraw/zinc/48/05/14/581480514.db2.gz KWAFCNPYWHRGIO-SECBINFHSA-N -1 0 335.772 2.766 20 30 EFEDRM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000774082166 581482273 /nfs/dbraw/zinc/48/22/73/581482273.db2.gz OVJDJQVGYGTGFI-UHFFFAOYSA-N -1 0 326.381 2.781 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000774140726 581485268 /nfs/dbraw/zinc/48/52/68/581485268.db2.gz DLLDBTKFFCBLJO-VQXHTEKXSA-N -1 0 327.306 2.680 20 30 EFEDRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)o1 ZINC000774257767 581488241 /nfs/dbraw/zinc/48/82/41/581488241.db2.gz KXAALRVIMKYTFA-ZDUSSCGKSA-N -1 0 344.754 2.774 20 30 EFEDRM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)sc1C ZINC000774261100 581488323 /nfs/dbraw/zinc/48/83/23/581488323.db2.gz VZHJRBAVRYNMHL-AWEZNQCLSA-N -1 0 327.409 2.707 20 30 EFEDRM CCOCCON=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000774421469 581491248 /nfs/dbraw/zinc/49/12/48/581491248.db2.gz FEYDFEHXVBEALK-UHFFFAOYSA-N -1 0 348.321 2.613 20 30 EFEDRM C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000738978887 581505790 /nfs/dbraw/zinc/50/57/90/581505790.db2.gz CNFDTSCNNAGEKB-NSHDSACASA-N -1 0 325.324 2.945 20 30 EFEDRM C=CCn1c(C2CC2)nn(CN2CCC[C@@H](CC(=O)[O-])C2)c1=S ZINC000817689977 597041399 /nfs/dbraw/zinc/04/13/99/597041399.db2.gz KOZWPDIUTIXYTR-LBPRGKRZSA-N -1 0 336.461 2.622 20 30 EFEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000740322535 597086830 /nfs/dbraw/zinc/08/68/30/597086830.db2.gz BVHDOADHMKRMLM-UHFFFAOYSA-N -1 0 340.404 2.909 20 30 EFEDRM N#Cc1ccc(Cl)cc1NC(=O)CNc1cccc(CC(=O)[O-])c1 ZINC000738432447 597129287 /nfs/dbraw/zinc/12/92/87/597129287.db2.gz LZWPHQOAWFLNLZ-UHFFFAOYSA-N -1 0 343.770 2.889 20 30 EFEDRM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)[O-] ZINC000738991634 597201387 /nfs/dbraw/zinc/20/13/87/597201387.db2.gz UYYBBELQSHAWTD-LLVKDONJSA-N -1 0 325.324 2.945 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000738435525 597269207 /nfs/dbraw/zinc/26/92/07/597269207.db2.gz YPASOXWWYGILJW-UHFFFAOYSA-N -1 0 326.377 2.916 20 30 EFEDRM N#Cc1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])c(F)c1 ZINC000819100379 597340395 /nfs/dbraw/zinc/34/03/95/597340395.db2.gz FHHOSCTWCLIRLW-UHFFFAOYSA-N -1 0 327.315 2.646 20 30 EFEDRM N#CCCn1cc(C(=O)CN2CCCC[C@H]2C(=O)[O-])c2ccccc21 ZINC000821324390 597436757 /nfs/dbraw/zinc/43/67/57/597436757.db2.gz DAKQOQVHCJJYJG-KRWDZBQOSA-N -1 0 339.395 2.677 20 30 EFEDRM Cc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000818787891 597465411 /nfs/dbraw/zinc/46/54/11/597465411.db2.gz DOKKFPRSROBODG-CYBMUJFWSA-N -1 0 325.368 2.511 20 30 EFEDRM C=CCn1c(Cc2ccccc2)nn(CN(C)[C@H](C)C(=O)[O-])c1=S ZINC000817690317 597481782 /nfs/dbraw/zinc/48/17/82/597481782.db2.gz WHVJOVKZBQSJGY-CYBMUJFWSA-N -1 0 346.456 2.553 20 30 EFEDRM C=CCn1c(Cc2ccccc2)nn(CN(C)[C@@H](C)C(=O)[O-])c1=S ZINC000817690318 597481912 /nfs/dbraw/zinc/48/19/12/597481912.db2.gz WHVJOVKZBQSJGY-ZDUSSCGKSA-N -1 0 346.456 2.553 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000819842357 597607719 /nfs/dbraw/zinc/60/77/19/597607719.db2.gz NVPRFICZLWRARV-HXUWFJFHSA-N -1 0 347.374 2.846 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000819821682 597608426 /nfs/dbraw/zinc/60/84/26/597608426.db2.gz JFANBMBDKQGFBI-MLGOLLRUSA-N -1 0 336.775 2.674 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000819824560 597609012 /nfs/dbraw/zinc/60/90/12/597609012.db2.gz YYRRZVVOPJGQAC-MAUKXSAKSA-N -1 0 330.359 2.882 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1c(F)cccc1Br ZINC000819874758 597611744 /nfs/dbraw/zinc/61/17/44/597611744.db2.gz QLWVXJPGRYTFQF-ZDUSSCGKSA-N -1 0 344.136 2.636 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000819866531 597611773 /nfs/dbraw/zinc/61/17/73/597611773.db2.gz XYGKCZQJPLSALA-OAHLLOKOSA-N -1 0 339.269 2.605 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOc1cccc2ccccc21 ZINC000819874957 597612799 /nfs/dbraw/zinc/61/27/99/597612799.db2.gz SYUGLOZWLIXREG-SFHVURJKSA-N -1 0 327.336 2.766 20 30 EFEDRM CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820161658 597614316 /nfs/dbraw/zinc/61/43/16/597614316.db2.gz QVEWDLSKXAVRRM-KZULUSFZSA-N -1 0 346.383 2.685 20 30 EFEDRM Cc1ccccc1-c1cnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])o1 ZINC000821120372 597614750 /nfs/dbraw/zinc/61/47/50/597614750.db2.gz XDQIGUNLHLVSAG-KRWDZBQOSA-N -1 0 328.324 2.698 20 30 EFEDRM Cc1cc(Br)ccc1COC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820954165 597614864 /nfs/dbraw/zinc/61/48/64/597614864.db2.gz POANIDDGFOSJBW-CQSZACIVSA-N -1 0 340.173 2.805 20 30 EFEDRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000819796728 597616485 /nfs/dbraw/zinc/61/64/85/597616485.db2.gz IMCMFLWWBYSLPA-SFHVURJKSA-N -1 0 331.368 2.862 20 30 EFEDRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821248084 597616663 /nfs/dbraw/zinc/61/66/63/597616663.db2.gz COXURQGFIDZQAV-HNNXBMFYSA-N -1 0 334.353 2.759 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csc(Br)c1 ZINC000819874926 597623399 /nfs/dbraw/zinc/62/33/99/597623399.db2.gz SRPDACMUPRFWPP-LLVKDONJSA-N -1 0 332.175 2.558 20 30 EFEDRM Cc1ccc(-c2nnc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o2)cc1 ZINC000821052008 597624130 /nfs/dbraw/zinc/62/41/30/597624130.db2.gz GZTXPPAOQYHSHE-DIFFPNOSSA-N -1 0 343.339 2.654 20 30 EFEDRM Cc1cc(C)c(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c1C ZINC000820968161 597625237 /nfs/dbraw/zinc/62/52/37/597625237.db2.gz QGWLEJXUKLVYDY-SFHVURJKSA-N -1 0 331.368 2.651 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000819832352 597628131 /nfs/dbraw/zinc/62/81/31/597628131.db2.gz AYRFCWAZLBXHIO-FQEVSTJZSA-N -1 0 336.391 2.939 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000819811736 597632870 /nfs/dbraw/zinc/63/28/70/597632870.db2.gz VOXJOTIASKYURQ-KPZWWZAWSA-N -1 0 341.367 2.538 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000819810614 597635701 /nfs/dbraw/zinc/63/57/01/597635701.db2.gz DDPMUSBTIGBYBG-GOSISDBHSA-N -1 0 330.359 2.836 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000819810615 597635742 /nfs/dbraw/zinc/63/57/42/597635742.db2.gz DDPMUSBTIGBYBG-SFHVURJKSA-N -1 0 330.359 2.836 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000819842893 597646788 /nfs/dbraw/zinc/64/67/88/597646788.db2.gz WNDNDRBTNXUDIO-QGZVFWFLSA-N -1 0 349.456 2.854 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000819812064 597653785 /nfs/dbraw/zinc/65/37/85/597653785.db2.gz YFMDKOFZQMQJNF-WOJBJXKFSA-N -1 0 340.423 2.888 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000819873417 597660074 /nfs/dbraw/zinc/66/00/74/597660074.db2.gz BGMOFUCZPVHTEA-PNESKVBLSA-N -1 0 331.372 2.742 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000819875416 597660129 /nfs/dbraw/zinc/66/01/29/597660129.db2.gz WPESLPRLFUODSY-CHWSQXEVSA-N -1 0 331.372 2.696 20 30 EFEDRM COc1cc(C=NNCCC(=O)[O-])c(-c2ccccc2)cc1OC ZINC000820763972 597740219 /nfs/dbraw/zinc/74/02/19/597740219.db2.gz PMDIKKZKDMABCX-UHFFFAOYSA-N -1 0 328.368 2.769 20 30 EFEDRM N#Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1N1CCC(O)CC1 ZINC000821330231 598109050 /nfs/dbraw/zinc/10/90/50/598109050.db2.gz XEQPBNLUAJKWEL-UHFFFAOYSA-N -1 0 343.427 2.575 20 30 EFEDRM CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820374021 598148644 /nfs/dbraw/zinc/14/86/44/598148644.db2.gz JUBWKEFIWLYXEI-LLVKDONJSA-N -1 0 344.348 2.508 20 30 EFEDRM N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000821320033 598160132 /nfs/dbraw/zinc/16/01/32/598160132.db2.gz GZEIOCGLBUMAEV-GFCCVEGCSA-N -1 0 342.738 2.999 20 30 EFEDRM CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820374407 598160340 /nfs/dbraw/zinc/16/03/40/598160340.db2.gz QCDBSMJNXWXHAU-NSHDSACASA-N -1 0 344.348 2.508 20 30 EFEDRM N#CC1(c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000821320378 598196126 /nfs/dbraw/zinc/19/61/26/598196126.db2.gz NMMAMTIZYXCPHN-KRWDZBQOSA-N -1 0 334.375 2.667 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000819865884 598221887 /nfs/dbraw/zinc/22/18/87/598221887.db2.gz PIJBVMNGQHFRNH-HNNXBMFYSA-N -1 0 333.344 2.892 20 30 EFEDRM Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(Br)c1 ZINC000821088464 598221977 /nfs/dbraw/zinc/22/19/77/598221977.db2.gz USVPPKFVVNOECQ-ZDUSSCGKSA-N -1 0 325.162 2.701 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000820113764 598222406 /nfs/dbraw/zinc/22/24/06/598222406.db2.gz GIRPKBYVLSVUOZ-XPTSAGLGSA-N -1 0 328.290 2.887 20 30 EFEDRM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000820114565 598223865 /nfs/dbraw/zinc/22/38/65/598223865.db2.gz PLBBXDZOYYCWOI-OTYXRUKQSA-N -1 0 344.289 2.767 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000819857265 598224366 /nfs/dbraw/zinc/22/43/66/598224366.db2.gz UWWXYCXWEOHSGD-CQSZACIVSA-N -1 0 348.409 2.632 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1F ZINC000819846360 598224688 /nfs/dbraw/zinc/22/46/88/598224688.db2.gz AVQJRYXWUPVDDD-LBPRGKRZSA-N -1 0 329.125 2.531 20 30 EFEDRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C ZINC000820976632 598225367 /nfs/dbraw/zinc/22/53/67/598225367.db2.gz NAJTWYVGIPWWGI-GOSISDBHSA-N -1 0 327.384 2.714 20 30 EFEDRM CCC[C@@H]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820304846 598225932 /nfs/dbraw/zinc/22/59/32/598225932.db2.gz YXTDMZUOLKMHLK-HWPZZCPQSA-N -1 0 335.429 2.991 20 30 EFEDRM CC1CCN(c2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)CC1 ZINC000820238466 598228535 /nfs/dbraw/zinc/22/85/35/598228535.db2.gz PZPNMASSKOBTED-SFHVURJKSA-N -1 0 329.400 2.866 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000819835973 598228960 /nfs/dbraw/zinc/22/89/60/598228960.db2.gz YYAGNDNZRDBRQM-YMTOWFKASA-N -1 0 343.166 2.548 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819914646 598229112 /nfs/dbraw/zinc/22/91/12/598229112.db2.gz AMHMWOGHXKENCL-GOSISDBHSA-N -1 0 346.383 2.514 20 30 EFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000819821229 598229643 /nfs/dbraw/zinc/22/96/43/598229643.db2.gz DOYSDBPMQOIARF-OAHLLOKOSA-N -1 0 341.194 2.883 20 30 EFEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2cc(Cl)ccc2n1C ZINC000820160441 598229745 /nfs/dbraw/zinc/22/97/45/598229745.db2.gz DPOQTNPDJQBJQG-FVMDXXJSSA-N -1 0 349.774 2.835 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000820211946 598229820 /nfs/dbraw/zinc/22/98/20/598229820.db2.gz ORPHXRKIOBRQCH-MOPGFXCFSA-N -1 0 328.412 2.862 20 30 EFEDRM CCc1noc(-c2ccc(C)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)n1 ZINC000820503862 598229927 /nfs/dbraw/zinc/22/99/27/598229927.db2.gz IQHHGDDNFNUBIS-KRWDZBQOSA-N -1 0 342.355 2.551 20 30 EFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000819821451 598230176 /nfs/dbraw/zinc/23/01/76/598230176.db2.gz GWYTZDQNBBZGTG-DYVFJYSZSA-N -1 0 328.368 2.554 20 30 EFEDRM CC(C)COc1ccc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819979959 598230214 /nfs/dbraw/zinc/23/02/14/598230214.db2.gz AUPLWJBOVLDVMA-FZKQIMNGSA-N -1 0 332.400 2.903 20 30 EFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000820115149 598230268 /nfs/dbraw/zinc/23/02/68/598230268.db2.gz UHAIEAYJUFTFKT-VOJFVSQTSA-N -1 0 348.374 2.796 20 30 EFEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1F ZINC000737261996 598787537 /nfs/dbraw/zinc/78/75/37/598787537.db2.gz JOOCTKBPXRKDRD-UHFFFAOYSA-N -1 0 329.339 2.872 20 30 EFEDRM N#Cc1ccc(-c2csc(NC(=O)CCCNC(=O)[O-])n2)cc1 ZINC000739102024 599707361 /nfs/dbraw/zinc/70/73/61/599707361.db2.gz NEWSNFJZUUDBOP-UHFFFAOYSA-N -1 0 330.369 2.668 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000739128368 599721580 /nfs/dbraw/zinc/72/15/80/599721580.db2.gz AGNUJSHSIOPRET-UHFFFAOYSA-N -1 0 337.740 2.678 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000737908643 599729055 /nfs/dbraw/zinc/72/90/55/599729055.db2.gz GDRFRVHFFOJNJQ-FRRDWIJNSA-N -1 0 342.376 2.716 20 30 EFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cn2)cc1 ZINC000738202325 599731880 /nfs/dbraw/zinc/73/18/80/599731880.db2.gz FAHKVLTWAJQQDU-HNNXBMFYSA-N -1 0 341.392 2.621 20 30 EFEDRM C=CCOCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736109308 599748254 /nfs/dbraw/zinc/74/82/54/599748254.db2.gz GVNSNMNLVIUULZ-ZDUSSCGKSA-N -1 0 344.367 2.665 20 30 EFEDRM C=CCOCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736109231 599748297 /nfs/dbraw/zinc/74/82/97/599748297.db2.gz BOWGUJYIYISXLQ-UHFFFAOYSA-N -1 0 332.381 2.573 20 30 EFEDRM N#C[C@H](NC(=O)CCC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000738422947 599752156 /nfs/dbraw/zinc/75/21/56/599752156.db2.gz NYJCMVHCLGTLHO-KRWDZBQOSA-N -1 0 338.363 2.811 20 30 EFEDRM Cc1c(NC(=O)NCc2ccc(OCC#N)cc2)cccc1C(=O)[O-] ZINC000738305561 599789534 /nfs/dbraw/zinc/78/95/34/599789534.db2.gz IMWMAYKUIDYOPU-UHFFFAOYSA-N -1 0 339.351 2.917 20 30 EFEDRM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890415 599798477 /nfs/dbraw/zinc/79/84/77/599798477.db2.gz APHBDLJVDITYHT-DOMZBBRYSA-N -1 0 345.399 2.895 20 30 EFEDRM COc1ccc(-c2csc(C(C#N)C(=O)CCNC(=O)[O-])n2)cc1 ZINC000737910342 599800078 /nfs/dbraw/zinc/80/00/78/599800078.db2.gz ZOAHCBPERLUOEL-GFCCVEGCSA-N -1 0 345.380 2.653 20 30 EFEDRM N#Cc1ccc(OCc2ccc(C(=O)NCCCCC(=O)[O-])o2)cc1 ZINC000739128700 599805747 /nfs/dbraw/zinc/80/57/47/599805747.db2.gz IOTKOBHFWUETBF-UHFFFAOYSA-N -1 0 342.351 2.715 20 30 EFEDRM C#CCOc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736089656 599833855 /nfs/dbraw/zinc/83/38/55/599833855.db2.gz OCWBEIAKQKYBJQ-UHFFFAOYSA-N -1 0 340.291 2.557 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000736090207 599838650 /nfs/dbraw/zinc/83/86/50/599838650.db2.gz XMBQDTFOBYDDHT-UHFFFAOYSA-N -1 0 345.376 2.506 20 30 EFEDRM N#Cc1cc([N+](=O)[O-])cnc1Nc1cccc(CSCC(=O)[O-])c1 ZINC000739098279 599854812 /nfs/dbraw/zinc/85/48/12/599854812.db2.gz AUGOGONPSHDBIN-UHFFFAOYSA-N -1 0 344.352 2.923 20 30 EFEDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000738326323 599868634 /nfs/dbraw/zinc/86/86/34/599868634.db2.gz KSGOIQNUHCRBFG-QGZVFWFLSA-N -1 0 339.395 2.805 20 30 EFEDRM CCOc1ccc(O)c(/C=N\CCOc2ccc(C(=O)[O-])cc2)c1 ZINC000737203152 599886419 /nfs/dbraw/zinc/88/64/19/599886419.db2.gz JSCCQLNGFRTNEK-UNOMPAQXSA-N -1 0 329.352 2.987 20 30 EFEDRM N#Cc1ccccc1-c1ccccc1C(=O)NCCSCC(=O)[O-] ZINC000739140688 599891721 /nfs/dbraw/zinc/89/17/21/599891721.db2.gz YJUJMCRUZYVRFF-UHFFFAOYSA-N -1 0 340.404 2.773 20 30 EFEDRM N#Cc1ccc(SCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000739131862 599900907 /nfs/dbraw/zinc/90/09/07/599900907.db2.gz GFOHLKYQZBMJBS-UHFFFAOYSA-N -1 0 326.377 2.916 20 30 EFEDRM CCc1ccc([C@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(C)=O)s1 ZINC000737260182 599905360 /nfs/dbraw/zinc/90/53/60/599905360.db2.gz BMWOZENMJWTRRX-CQSZACIVSA-N -1 0 348.424 2.715 20 30 EFEDRM C#Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000736091618 599925887 /nfs/dbraw/zinc/92/58/87/599925887.db2.gz ZSCUUHUJYSRNFY-UHFFFAOYSA-N -1 0 349.795 2.845 20 30 EFEDRM N#Cc1cccc(OCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000739134174 599932480 /nfs/dbraw/zinc/93/24/80/599932480.db2.gz XPXFDSISEDXHFJ-KRWDZBQOSA-N -1 0 338.363 2.659 20 30 EFEDRM CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000737226250 600029581 /nfs/dbraw/zinc/02/95/81/600029581.db2.gz HXZJAUSEAAEAFV-VQHVLOKHSA-N -1 0 349.364 2.636 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)/C=C/c2ccccc2C#N)C(=O)[O-])c1 ZINC000738701844 600064288 /nfs/dbraw/zinc/06/42/88/600064288.db2.gz GQYNMJYODGKQBH-YXBWYFRISA-N -1 0 348.402 2.940 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)/C=C\c2ccccc2C#N)C(=O)[O-])c1 ZINC000738701840 600064337 /nfs/dbraw/zinc/06/43/37/600064337.db2.gz GQYNMJYODGKQBH-VJIACCKLSA-N -1 0 348.402 2.940 20 30 EFEDRM Cc1cccc(C[C@H](CNC(=O)C2(C#N)CCCCC2)C(=O)[O-])c1 ZINC000738698293 600070783 /nfs/dbraw/zinc/07/07/83/600070783.db2.gz KSQQAUQMBDKENF-MRXNPFEDSA-N -1 0 328.412 2.829 20 30 EFEDRM CC(=O)c1[nH]c(CC(=O)N(CCC#N)CCC(C)C)c(C(=O)[O-])c1C ZINC000736174166 600074223 /nfs/dbraw/zinc/07/42/23/600074223.db2.gz VSTNBSZWPNUXEV-UHFFFAOYSA-N -1 0 347.415 2.555 20 30 EFEDRM CC(C)CCN(CCC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736425777 600074388 /nfs/dbraw/zinc/07/43/88/600074388.db2.gz CZTJAFUTDGBWOS-UHFFFAOYSA-N -1 0 333.344 2.695 20 30 EFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736217701 600083874 /nfs/dbraw/zinc/08/38/74/600083874.db2.gz FAPQVKOTFCKEKB-GFCCVEGCSA-N -1 0 335.363 2.599 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000740212122 600095117 /nfs/dbraw/zinc/09/51/17/600095117.db2.gz BTFBBUZNROCWFA-UHFFFAOYSA-N -1 0 341.388 2.689 20 30 EFEDRM N#CCCn1cc(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000738427405 600101419 /nfs/dbraw/zinc/10/14/19/600101419.db2.gz ARVMIOQDMCFXQH-CQSZACIVSA-N -1 0 339.395 2.534 20 30 EFEDRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000736336153 600154775 /nfs/dbraw/zinc/15/47/75/600154775.db2.gz CWCRTQHTBCVEBM-UHFFFAOYSA-N -1 0 340.339 2.730 20 30 EFEDRM CON=Cc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737840224 600160782 /nfs/dbraw/zinc/16/07/82/600160782.db2.gz UPKGKUSFAQYYMR-KRWDZBQOSA-N -1 0 340.379 2.574 20 30 EFEDRM N#CCOc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739087421 600192713 /nfs/dbraw/zinc/19/27/13/600192713.db2.gz IMVVQVQSGHWGKF-UHFFFAOYSA-N -1 0 339.347 2.963 20 30 EFEDRM N#Cc1ccc(NCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739121888 600203567 /nfs/dbraw/zinc/20/35/67/600203567.db2.gz YFJIMWZOTCLMQJ-UHFFFAOYSA-N -1 0 329.743 2.960 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000737242219 600228926 /nfs/dbraw/zinc/22/89/26/600228926.db2.gz SAYLKKVVOOJQBX-ZDUSSCGKSA-N -1 0 329.331 2.718 20 30 EFEDRM O=C([O-])N1C/C(=C/c2nccs2)C(=O)/C(=C\c2nccs2)C1 ZINC000740308046 600274459 /nfs/dbraw/zinc/27/44/59/600274459.db2.gz SWICWAAZJWXITH-OZDSWYPASA-N -1 0 333.394 2.629 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736706300 600289654 /nfs/dbraw/zinc/28/96/54/600289654.db2.gz BDBYQWJJOJUXFT-GFCCVEGCSA-N -1 0 339.351 2.732 20 30 EFEDRM CCN(Cc1noc(CCCC(=O)[O-])n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000737108548 600290416 /nfs/dbraw/zinc/29/04/16/600290416.db2.gz WMBGKXQIAWBAAK-ZDUSSCGKSA-N -1 0 342.399 2.932 20 30 EFEDRM C=CC1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000736096577 600327421 /nfs/dbraw/zinc/32/74/21/600327421.db2.gz PUNIFTDPVMLUFE-UHFFFAOYSA-N -1 0 334.441 2.772 20 30 EFEDRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccccc1C#N ZINC000736670187 600327598 /nfs/dbraw/zinc/32/75/98/600327598.db2.gz DNGWWNOVDJLRMU-GFCCVEGCSA-N -1 0 338.367 2.765 20 30 EFEDRM N#Cc1cc(F)ccc1CSCc1noc(CCCC(=O)[O-])n1 ZINC000739099251 600352188 /nfs/dbraw/zinc/35/21/88/600352188.db2.gz RKDWFWJOVNOCNB-UHFFFAOYSA-N -1 0 335.360 2.921 20 30 EFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000736427260 600359756 /nfs/dbraw/zinc/35/97/56/600359756.db2.gz RRGOYYRBSNLXQC-DOMZBBRYSA-N -1 0 334.372 2.551 20 30 EFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736616553 600360212 /nfs/dbraw/zinc/36/02/12/600360212.db2.gz SBAHJUYQPKAMCZ-LBPRGKRZSA-N -1 0 325.320 2.881 20 30 EFEDRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736575380 600360356 /nfs/dbraw/zinc/36/03/56/600360356.db2.gz MZROJDRGWXBGEP-GFCCVEGCSA-N -1 0 339.351 2.538 20 30 EFEDRM N#CCOc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739088110 600369665 /nfs/dbraw/zinc/36/96/65/600369665.db2.gz PACYATGUYMKFRE-UHFFFAOYSA-N -1 0 325.320 2.573 20 30 EFEDRM N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000739121651 600398691 /nfs/dbraw/zinc/39/86/91/600398691.db2.gz UAGUMQZCQASQOE-OAHLLOKOSA-N -1 0 335.363 2.849 20 30 EFEDRM CC(C)(C)c1ccc(OCCCC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000736300423 600403274 /nfs/dbraw/zinc/40/32/74/600403274.db2.gz XYOAFFBLWNMBDX-UHFFFAOYSA-N -1 0 332.400 2.580 20 30 EFEDRM Cc1cc(F)ccc1-c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1F ZINC000738397622 600408334 /nfs/dbraw/zinc/40/83/34/600408334.db2.gz VDEFJSMKFSGHJF-UHFFFAOYSA-N -1 0 344.317 2.991 20 30 EFEDRM N#CCN(CC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000739078528 600409093 /nfs/dbraw/zinc/40/90/93/600409093.db2.gz IRWQSYOWLIUUJA-UHFFFAOYSA-N -1 0 326.139 2.525 20 30 EFEDRM N#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C1CCCC1 ZINC000738427005 600438244 /nfs/dbraw/zinc/43/82/44/600438244.db2.gz VSEQPTKNTFRFNU-UHFFFAOYSA-N -1 0 347.440 2.642 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC000736109570 600447113 /nfs/dbraw/zinc/44/71/13/600447113.db2.gz PRFUWJGMCLMSJW-LBPRGKRZSA-N -1 0 336.344 2.863 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736708614 600450003 /nfs/dbraw/zinc/45/00/03/600450003.db2.gz UYDHFAZGLKQWHE-MEDUHNTESA-N -1 0 343.310 2.834 20 30 EFEDRM O=C([O-])Nc1ccc(CCNC(=O)NCC#Cc2ccccc2)cc1 ZINC000740017347 600456695 /nfs/dbraw/zinc/45/66/95/600456695.db2.gz HZUKZMMZQLLLTP-UHFFFAOYSA-N -1 0 337.379 2.670 20 30 EFEDRM N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000321166447 600476999 /nfs/dbraw/zinc/47/69/99/600476999.db2.gz QNOBPIQKBVZXTI-UHFFFAOYSA-N -1 0 330.727 2.927 20 30 EFEDRM N#Cc1ccc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000739117891 600481428 /nfs/dbraw/zinc/48/14/28/600481428.db2.gz NMGFRJXMDLMIEE-UHFFFAOYSA-N -1 0 338.363 2.983 20 30 EFEDRM N#Cc1ccsc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000739142036 600482702 /nfs/dbraw/zinc/48/27/02/600482702.db2.gz HPBCVDPTVWLRQL-UHFFFAOYSA-N -1 0 344.392 2.793 20 30 EFEDRM N#Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000739101425 600483568 /nfs/dbraw/zinc/48/35/68/600483568.db2.gz HQGIYGJLNPZJPE-UHFFFAOYSA-N -1 0 338.363 2.732 20 30 EFEDRM C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000736605938 600494120 /nfs/dbraw/zinc/49/41/20/600494120.db2.gz VZNJDXVHGDMECN-CYBMUJFWSA-N -1 0 338.363 2.588 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000736095993 600551810 /nfs/dbraw/zinc/55/18/10/600551810.db2.gz DPGNWVZRQCLZHY-OAHLLOKOSA-N -1 0 341.323 2.735 20 30 EFEDRM Cc1ccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738622204 600561915 /nfs/dbraw/zinc/56/19/15/600561915.db2.gz PGWNGEHSDDAXHP-SFHVURJKSA-N -1 0 337.379 2.563 20 30 EFEDRM Cc1ccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738622203 600561919 /nfs/dbraw/zinc/56/19/19/600561919.db2.gz PGWNGEHSDDAXHP-GOSISDBHSA-N -1 0 337.379 2.563 20 30 EFEDRM CN(Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494624 600563652 /nfs/dbraw/zinc/56/36/52/600563652.db2.gz YEJOSQCWSMGFBU-MRXNPFEDSA-N -1 0 325.324 2.724 20 30 EFEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736106219 600572322 /nfs/dbraw/zinc/57/23/22/600572322.db2.gz UNNSUDHMLFNPAX-UHFFFAOYSA-N -1 0 339.351 2.945 20 30 EFEDRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736764696 600586816 /nfs/dbraw/zinc/58/68/16/600586816.db2.gz VZTWNOSXWYAMLT-LGESCRJUSA-N -1 0 326.462 2.902 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736708566 600590260 /nfs/dbraw/zinc/59/02/60/600590260.db2.gz UMAVZFZTPBWBDK-DYVFJYSZSA-N -1 0 338.363 2.610 20 30 EFEDRM C[C@@H]1Oc2ccc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2NC1=O ZINC000736835790 600591089 /nfs/dbraw/zinc/59/10/89/600591089.db2.gz NCEMHGOVALJXRA-MGPLVRAMSA-N -1 0 337.335 2.515 20 30 EFEDRM CC(C)NC(=O)c1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736477286 600594155 /nfs/dbraw/zinc/59/41/55/600594155.db2.gz DZVHEOHKSXWBAT-QGZVFWFLSA-N -1 0 337.379 2.934 20 30 EFEDRM N#Cc1ccc([C@H](Nc2ccc(C(N)=O)c(Cl)c2)C(=O)[O-])cc1 ZINC000739107879 600594170 /nfs/dbraw/zinc/59/41/70/600594170.db2.gz CHSHIDKEKIIBRX-AWEZNQCLSA-N -1 0 329.743 2.548 20 30 EFEDRM N#Cc1ccc([C@@H](Nc2cccc(N3CCOCC3)c2)C(=O)[O-])cc1 ZINC000739108974 600596720 /nfs/dbraw/zinc/59/67/20/600596720.db2.gz HVTIPWVYNOYBSV-GOSISDBHSA-N -1 0 337.379 2.633 20 30 EFEDRM C[C@@H](CS[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(=O)[O-] ZINC000736607730 600597520 /nfs/dbraw/zinc/59/75/20/600597520.db2.gz WQOHSRRIPDOTNQ-NWDGAFQWSA-N -1 0 338.404 2.915 20 30 EFEDRM CN1c2ccc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2CCC1=O ZINC000737510871 600597633 /nfs/dbraw/zinc/59/76/33/600597633.db2.gz YWOUPSGYKHQZJA-GOSISDBHSA-N -1 0 335.363 2.705 20 30 EFEDRM CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737200339 600603187 /nfs/dbraw/zinc/60/31/87/600603187.db2.gz QTDNHYZBIJXNQP-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)COc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739114924 600603652 /nfs/dbraw/zinc/60/36/52/600603652.db2.gz LNVKDXSSBWISKP-MRXNPFEDSA-N -1 0 345.738 2.960 20 30 EFEDRM Cc1cc(C)cc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738364343 600603996 /nfs/dbraw/zinc/60/39/96/600603996.db2.gz PXNABTBDZKVVNU-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000738637923 600604012 /nfs/dbraw/zinc/60/40/12/600604012.db2.gz BREGOBVVPSKKHE-GOSISDBHSA-N -1 0 339.347 2.923 20 30 EFEDRM Cc1cccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738734173 600604394 /nfs/dbraw/zinc/60/43/94/600604394.db2.gz KABKNAXEDFKUMX-KRWDZBQOSA-N -1 0 325.320 2.615 20 30 EFEDRM CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737212235 600604817 /nfs/dbraw/zinc/60/48/17/600604817.db2.gz CUVXEOUEFQRBIN-MRXNPFEDSA-N -1 0 325.320 2.940 20 30 EFEDRM CCc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737275718 600605597 /nfs/dbraw/zinc/60/55/97/600605597.db2.gz WYWPCPOZPLTZDP-GOSISDBHSA-N -1 0 339.347 2.869 20 30 EFEDRM COc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738125938 600605834 /nfs/dbraw/zinc/60/58/34/600605834.db2.gz NTXUBIMCKIUENQ-SFHVURJKSA-N -1 0 339.347 2.869 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738747602 600606614 /nfs/dbraw/zinc/60/66/14/600606614.db2.gz YLAQSPIJKVXSGK-HNNXBMFYSA-N -1 0 340.291 2.758 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(Cl)c2N)C(=O)[O-])cc1 ZINC000739114890 600609084 /nfs/dbraw/zinc/60/90/84/600609084.db2.gz LGLRNQCYBMYUAL-CQSZACIVSA-N -1 0 330.727 2.777 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Br)c[nH]2)C(=O)[O-])cc1 ZINC000739114682 600609183 /nfs/dbraw/zinc/60/91/83/600609183.db2.gz KFXIVECWWDZDFT-LBPRGKRZSA-N -1 0 349.140 2.632 20 30 EFEDRM C[C@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736701504 600610538 /nfs/dbraw/zinc/61/05/38/600610538.db2.gz WQDWXLFAYNVGCF-GUYCJALGSA-N -1 0 339.347 2.832 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)CCSC(F)(F)F)C(=O)[O-])cc1 ZINC000739110464 600612018 /nfs/dbraw/zinc/61/20/18/600612018.db2.gz QLARARFYEJVKNT-LLVKDONJSA-N -1 0 333.287 2.870 20 30 EFEDRM CCc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1O ZINC000737268039 600612358 /nfs/dbraw/zinc/61/23/58/600612358.db2.gz YFPJALPUVQWQCA-MRXNPFEDSA-N -1 0 325.320 2.809 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccoc3)[nH]n2)C(=O)[O-])cc1 ZINC000739116089 600613371 /nfs/dbraw/zinc/61/33/71/600613371.db2.gz ZHBAHAGKNUXPSD-OAHLLOKOSA-N -1 0 337.291 2.524 20 30 EFEDRM CN(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737376481 600614668 /nfs/dbraw/zinc/61/46/68/600614668.db2.gz FWDKIAFCOHIEFH-INIZCTEOSA-N -1 0 342.326 2.746 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(F)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000739115590 600615098 /nfs/dbraw/zinc/61/50/98/600615098.db2.gz TWMQAFREICXVPK-CQSZACIVSA-N -1 0 344.254 2.588 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2csc(C3CC3)n2)C(=O)[O-])cc1 ZINC000739118565 600615106 /nfs/dbraw/zinc/61/51/06/600615106.db2.gz TVTMAWIGPBEHRV-CYBMUJFWSA-N -1 0 328.349 2.875 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000175018853 600628360 /nfs/dbraw/zinc/62/83/60/600628360.db2.gz JJZUUDQYPMDDDQ-UHFFFAOYSA-N -1 0 343.404 2.510 20 30 EFEDRM C=CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccncc1 ZINC000736095875 600638137 /nfs/dbraw/zinc/63/81/37/600638137.db2.gz CHZDUDKNBXFLDT-HNNXBMFYSA-N -1 0 346.408 2.684 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(F)cc1[O-] ZINC000822922024 607460333 /nfs/dbraw/zinc/46/03/33/607460333.db2.gz BWMJIDDPADTWNG-ZZXKWVIFSA-N -1 0 328.278 2.747 20 30 EFEDRM CCN(C(=O)Cc1ccc(OCC#N)cc1)c1ccccc1C(=O)[O-] ZINC000737059716 600646561 /nfs/dbraw/zinc/64/65/61/600646561.db2.gz GXFGNMSPTQXQAW-UHFFFAOYSA-N -1 0 338.363 2.883 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736108975 600647999 /nfs/dbraw/zinc/64/79/99/600647999.db2.gz YRQIGWQESOQWQY-UHFFFAOYSA-N -1 0 345.420 2.691 20 30 EFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736097465 600656686 /nfs/dbraw/zinc/65/66/86/600656686.db2.gz MFOQGCKEJDGBLP-UHFFFAOYSA-N -1 0 336.363 2.667 20 30 EFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736700838 600675826 /nfs/dbraw/zinc/67/58/26/600675826.db2.gz NSCOAGJZSNCRBL-GFCCVEGCSA-N -1 0 325.320 2.558 20 30 EFEDRM C#CCOc1cc(F)ccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736076345 600679363 /nfs/dbraw/zinc/67/93/63/600679363.db2.gz MUSICRFDBRZZAL-UHFFFAOYSA-N -1 0 342.326 2.587 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000736232209 600679471 /nfs/dbraw/zinc/67/94/71/600679471.db2.gz JBSXNPSVDWRDLZ-UHFFFAOYSA-N -1 0 343.427 2.803 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000736233230 600679480 /nfs/dbraw/zinc/67/94/80/600679480.db2.gz SLGOORNYVTWXCS-UHFFFAOYSA-N -1 0 337.379 2.971 20 30 EFEDRM COc1cc(C#N)ccc1OCCOc1ccc(C(=O)[O-])cc1C=O ZINC000737843993 600686680 /nfs/dbraw/zinc/68/66/80/600686680.db2.gz DSTVKADVXYEPHC-UHFFFAOYSA-N -1 0 341.319 2.535 20 30 EFEDRM N#Cc1ccc([C@H](OC(=O)c2c(F)cc(F)cc2F)C(=O)[O-])cc1 ZINC000833071104 600687928 /nfs/dbraw/zinc/68/79/28/600687928.db2.gz CGYPOKLCCONJRE-AWEZNQCLSA-N -1 0 335.237 2.958 20 30 EFEDRM C#CCOc1ccc(C(=O)OCCOc2cccc(C(=O)[O-])c2)cc1 ZINC000825632039 600692286 /nfs/dbraw/zinc/69/22/86/600692286.db2.gz RHOCFIFNPZQLGI-UHFFFAOYSA-N -1 0 340.331 2.633 20 30 EFEDRM N#Cc1nnc2ccccc2c1Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000739145671 600708528 /nfs/dbraw/zinc/70/85/28/600708528.db2.gz TYYDFAJFLDVHDM-UHFFFAOYSA-N -1 0 336.263 2.900 20 30 EFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000832869203 600708859 /nfs/dbraw/zinc/70/88/59/600708859.db2.gz IYKJCGJXOVNLKK-GFCCVEGCSA-N -1 0 344.392 2.604 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000237052057 600738008 /nfs/dbraw/zinc/73/80/08/600738008.db2.gz XGMUHSISYBOMRQ-UHFFFAOYSA-N -1 0 335.406 2.643 20 30 EFEDRM Cc1ncc(CO)c(/C=N\[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1O ZINC000833008762 600763740 /nfs/dbraw/zinc/76/37/40/600763740.db2.gz UKXTXGCRJRXZLR-DZWVFDFXSA-N -1 0 348.786 2.876 20 30 EFEDRM CCc1[nH]c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000830191923 600791248 /nfs/dbraw/zinc/79/12/48/600791248.db2.gz KWRVLALQPYWEMB-NSHDSACASA-N -1 0 325.368 2.946 20 30 EFEDRM C=CCOc1ccc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000825698806 600793711 /nfs/dbraw/zinc/79/37/11/600793711.db2.gz KOFGZGFVZRQGDR-UHFFFAOYSA-N -1 0 348.376 2.858 20 30 EFEDRM C#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000825636966 600803433 /nfs/dbraw/zinc/80/34/33/600803433.db2.gz YCGANGXAFWHQGT-HNNXBMFYSA-N -1 0 328.755 2.662 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776675205 600807937 /nfs/dbraw/zinc/80/79/37/600807937.db2.gz ZNKNVDDZAJGDMZ-FZMZJTMJSA-N -1 0 325.792 2.953 20 30 EFEDRM Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000832889053 600812243 /nfs/dbraw/zinc/81/22/43/600812243.db2.gz CBKPNAFVRHBFHY-CYBMUJFWSA-N -1 0 328.347 2.530 20 30 EFEDRM CCc1[nH]c(C(=O)N(CCC#N)CC(F)(F)F)c(C)c1C(=O)[O-] ZINC000830183545 600832700 /nfs/dbraw/zinc/83/27/00/600832700.db2.gz JFMYTHXWMNKZAS-UHFFFAOYSA-N -1 0 331.294 2.502 20 30 EFEDRM C#CCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000736090297 600834536 /nfs/dbraw/zinc/83/45/36/600834536.db2.gz ZVNXYAVENWMAFI-UHFFFAOYSA-N -1 0 339.347 2.723 20 30 EFEDRM C#CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736075774 600837579 /nfs/dbraw/zinc/83/75/79/600837579.db2.gz HFIDJYVPOAYAKP-MRXNPFEDSA-N -1 0 345.301 2.533 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000736091601 600893344 /nfs/dbraw/zinc/89/33/44/600893344.db2.gz ZIWOOFZTQIVPFD-UHFFFAOYSA-N -1 0 343.404 2.890 20 30 EFEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000736228030 600932787 /nfs/dbraw/zinc/93/27/87/600932787.db2.gz CUVINFTUXQTZAI-UHFFFAOYSA-N -1 0 337.379 2.971 20 30 EFEDRM Cc1cc(C)n2nc(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)nc2n1 ZINC000738377958 600935614 /nfs/dbraw/zinc/93/56/14/600935614.db2.gz BPYBDEMTQXQTSF-CYBMUJFWSA-N -1 0 339.380 2.531 20 30 EFEDRM N#Cc1ccccc1OCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000739146931 600938477 /nfs/dbraw/zinc/93/84/77/600938477.db2.gz MRAAEHUIICWYGI-UHFFFAOYSA-N -1 0 342.326 2.584 20 30 EFEDRM C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000825967483 600943685 /nfs/dbraw/zinc/94/36/85/600943685.db2.gz XJVSRNXTIIYINW-GPMSIDNRSA-N -1 0 328.412 2.909 20 30 EFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000828586820 600952641 /nfs/dbraw/zinc/95/26/41/600952641.db2.gz KBLOMGJYZGURNK-HRCADAONSA-N -1 0 344.411 2.875 20 30 EFEDRM C#C[C@@H](C)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000825600597 600959894 /nfs/dbraw/zinc/95/98/94/600959894.db2.gz WXVQLJGWFYPCCJ-GFCCVEGCSA-N -1 0 340.379 2.685 20 30 EFEDRM C=CCOCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000825692359 600978510 /nfs/dbraw/zinc/97/85/10/600978510.db2.gz RGISBIUWYOQMTL-UHFFFAOYSA-N -1 0 328.162 2.597 20 30 EFEDRM C=CCCOCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000825676028 600978611 /nfs/dbraw/zinc/97/86/11/600978611.db2.gz OPEYZGNPWDBTJK-UHFFFAOYSA-N -1 0 342.189 2.987 20 30 EFEDRM Cc1cc2oc(=O)cc(CN(CC#N)CC(=O)[O-])c2cc1C(C)C ZINC000832906454 601002476 /nfs/dbraw/zinc/00/24/76/601002476.db2.gz GNIPGOJOVREDHV-UHFFFAOYSA-N -1 0 328.368 2.635 20 30 EFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000832152429 601034165 /nfs/dbraw/zinc/03/41/65/601034165.db2.gz FTRSIIXYYVLWKM-AWEZNQCLSA-N -1 0 339.351 2.557 20 30 EFEDRM COc1ccc([C@H]2NC(=O)N(CC(C)C)C(C)=C2C(=O)[O-])cc1C#N ZINC000737987660 601045231 /nfs/dbraw/zinc/04/52/31/601045231.db2.gz XLCDKJJJUSSCSX-MRXNPFEDSA-N -1 0 343.383 2.648 20 30 EFEDRM N#Cc1ccc(OCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000821335974 601046091 /nfs/dbraw/zinc/04/60/91/601046091.db2.gz GIHHPQYMOFBYPK-UHFFFAOYSA-N -1 0 343.314 2.596 20 30 EFEDRM C#CCOc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000825631576 601047834 /nfs/dbraw/zinc/04/78/34/601047834.db2.gz FYEOEJYVAIQTQI-QGZVFWFLSA-N -1 0 338.363 2.689 20 30 EFEDRM CN(Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C(=O)[O-] ZINC000830836160 601069172 /nfs/dbraw/zinc/06/91/72/601069172.db2.gz RGMZAXRHTYIMES-UHFFFAOYSA-N -1 0 342.359 2.551 20 30 EFEDRM C#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cn1 ZINC000825636961 601091944 /nfs/dbraw/zinc/09/19/44/601091944.db2.gz XXKDKXWTMLNZCF-RDJZCZTQSA-N -1 0 326.396 2.559 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000825631965 601098192 /nfs/dbraw/zinc/09/81/92/601098192.db2.gz ODQTUEITVBALLG-CYBMUJFWSA-N -1 0 346.358 2.556 20 30 EFEDRM N#CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833068265 601117938 /nfs/dbraw/zinc/11/79/38/601117938.db2.gz UACAQBDGDDTFNM-HNNXBMFYSA-N -1 0 329.283 2.711 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000825625456 601146246 /nfs/dbraw/zinc/14/62/46/601146246.db2.gz CVTFJYRQUUVLOX-UHFFFAOYSA-N -1 0 327.311 2.569 20 30 EFEDRM O=C([O-])N1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000833279070 601147455 /nfs/dbraw/zinc/14/74/55/601147455.db2.gz AXOFTZFGPQSKAC-UHFFFAOYSA-N -1 0 349.390 2.914 20 30 EFEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000826710300 601174584 /nfs/dbraw/zinc/17/45/84/601174584.db2.gz GTHQQLVRKAZWKT-CYBMUJFWSA-N -1 0 343.301 2.892 20 30 EFEDRM N#Cc1ccc(OCCCOC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833070757 601188153 /nfs/dbraw/zinc/18/81/53/601188153.db2.gz AXKZDLSHLJXKRS-HUUCEWRRSA-N -1 0 331.368 2.761 20 30 EFEDRM N#Cc1cc(F)ccc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833069522 601202127 /nfs/dbraw/zinc/20/21/27/601202127.db2.gz CKWARJBZUPJTON-CYBMUJFWSA-N -1 0 345.355 2.674 20 30 EFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C#N)cc2)c1C ZINC000013087239 601203297 /nfs/dbraw/zinc/20/32/97/601203297.db2.gz OYBNGPQNSARKTR-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM N#Cc1cc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])ccc1F ZINC000833070462 601226166 /nfs/dbraw/zinc/22/61/66/601226166.db2.gz HIKPNAHYMJPUGD-UHFFFAOYSA-N -1 0 336.300 2.555 20 30 EFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825609104 601228539 /nfs/dbraw/zinc/22/85/39/601228539.db2.gz URRVECDQJXJBJG-RAXLEYEMSA-N -1 0 347.436 2.741 20 30 EFEDRM N#C[C@H](COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000833063345 601237823 /nfs/dbraw/zinc/23/78/23/601237823.db2.gz ITGRGQHYYAHFSN-ILXRZTDVSA-N -1 0 333.359 2.942 20 30 EFEDRM N#Cc1nc(NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1Cl ZINC000833078090 601252068 /nfs/dbraw/zinc/25/20/68/601252068.db2.gz BUEGPOAXGCFHFF-LLVKDONJSA-N -1 0 331.759 2.668 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833041087 601252579 /nfs/dbraw/zinc/25/25/79/601252579.db2.gz XFOYNDRIMUGKJA-UHFFFAOYSA-N -1 0 329.381 2.788 20 30 EFEDRM Cc1c(N[C@@H]2CCN(c3sccc3C#N)C2=O)cccc1C(=O)[O-] ZINC000832856860 601264519 /nfs/dbraw/zinc/26/45/19/601264519.db2.gz WFIKXHXUTDHYML-CQSZACIVSA-N -1 0 341.392 2.844 20 30 EFEDRM Cc1ccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1C(=O)[O-] ZINC000832949026 601266381 /nfs/dbraw/zinc/26/63/81/601266381.db2.gz MDWMYPZFAIARKX-QGZVFWFLSA-N -1 0 335.363 2.782 20 30 EFEDRM C[C@@H]1Oc2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2NC1=O ZINC000828520742 601298278 /nfs/dbraw/zinc/29/82/78/601298278.db2.gz AESLBXRDCTWEIW-QFYYESIMSA-N -1 0 337.335 2.515 20 30 EFEDRM N#Cc1cccc([C@H](Nc2ccc3c(c2)NC(=O)CS3)C(=O)[O-])c1 ZINC000833076455 601298924 /nfs/dbraw/zinc/29/89/24/601298924.db2.gz VJIDJJVGQVQQOO-INIZCTEOSA-N -1 0 339.376 2.840 20 30 EFEDRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000825890164 601299355 /nfs/dbraw/zinc/29/93/55/601299355.db2.gz BJXMBVNWRYOXDE-MRXNPFEDSA-N -1 0 327.315 2.894 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2cccc(N3CCOC3=O)c2)C(=O)[O-])c1 ZINC000833076134 601300141 /nfs/dbraw/zinc/30/01/41/601300141.db2.gz QOJRIGQZRAYMHF-MRXNPFEDSA-N -1 0 337.335 2.753 20 30 EFEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000833074210 601302242 /nfs/dbraw/zinc/30/22/42/601302242.db2.gz RVRKIHMYJLDLBZ-KBPBESRZSA-N -1 0 342.317 2.727 20 30 EFEDRM Cc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1C(=O)[O-] ZINC000832949279 601302611 /nfs/dbraw/zinc/30/26/11/601302611.db2.gz SQMLTPQBOIRWGE-UHFFFAOYSA-N -1 0 329.400 2.790 20 30 EFEDRM COC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831198333 601303154 /nfs/dbraw/zinc/30/31/54/601303154.db2.gz HDWIDJUYDNLAAO-MRXNPFEDSA-N -1 0 339.351 2.999 20 30 EFEDRM COC(=O)NCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831206220 601305492 /nfs/dbraw/zinc/30/54/92/601305492.db2.gz CACARADZQVNOMI-INIZCTEOSA-N -1 0 339.351 2.652 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(O[C@@H]3CCOC3)cc2)C(=O)[O-])c1 ZINC000833074884 601306013 /nfs/dbraw/zinc/30/60/13/601306013.db2.gz GARXAKBCAYXRAP-QZTJIDSGSA-N -1 0 338.363 2.964 20 30 EFEDRM N#Cc1cccc([C@@H](Nc2ccc(O[C@H]3CCOC3)cc2)C(=O)[O-])c1 ZINC000833074886 601306108 /nfs/dbraw/zinc/30/61/08/601306108.db2.gz GARXAKBCAYXRAP-ZWKOTPCHSA-N -1 0 338.363 2.964 20 30 EFEDRM Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(C(=O)[O-])[nH]2)S1 ZINC000832978482 601330804 /nfs/dbraw/zinc/33/08/04/601330804.db2.gz HHVGGUQCBPAQOR-JYRVWZFOSA-N -1 0 327.365 2.913 20 30 EFEDRM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1NC(C)=O ZINC000832157773 601331650 /nfs/dbraw/zinc/33/16/50/601331650.db2.gz VPKZEQDTYIBPHE-FNORWQNLSA-N -1 0 328.324 2.576 20 30 EFEDRM COCCOc1cccc(F)c1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1 ZINC000831785098 601331663 /nfs/dbraw/zinc/33/16/63/601331663.db2.gz ZSGLVBYFEMNEHJ-SOFGYWHQSA-N -1 0 333.315 2.773 20 30 EFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(N3CC=CC3)c2)C(=O)[O-])cc1 ZINC000833072789 601340697 /nfs/dbraw/zinc/34/06/97/601340697.db2.gz QCWUAISMSGOIHN-GOSISDBHSA-N -1 0 348.358 2.917 20 30 EFEDRM CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000825942377 601343215 /nfs/dbraw/zinc/34/32/15/601343215.db2.gz WBKJAKAJNZWTRO-MRXNPFEDSA-N -1 0 340.335 2.689 20 30 EFEDRM CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830064927 601344975 /nfs/dbraw/zinc/34/49/75/601344975.db2.gz YSFPGTAJIBZALE-INIZCTEOSA-N -1 0 325.320 2.940 20 30 EFEDRM COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832280986 601345078 /nfs/dbraw/zinc/34/50/78/601345078.db2.gz HFORNYJWANPTJK-HKMNZKMDSA-N -1 0 337.331 2.949 20 30 EFEDRM Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832972661 601346144 /nfs/dbraw/zinc/34/61/44/601346144.db2.gz JENHZUNZUSWGSB-OAHLLOKOSA-N -1 0 340.291 2.758 20 30 EFEDRM C=CCNc1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000825692290 601346472 /nfs/dbraw/zinc/34/64/72/601346472.db2.gz PMIBRIASKFJVEE-CYBMUJFWSA-N -1 0 343.364 2.595 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2ccn(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000833077644 601348863 /nfs/dbraw/zinc/34/88/63/601348863.db2.gz YBJIWLMFSIVUKP-KRWDZBQOSA-N -1 0 347.330 2.727 20 30 EFEDRM N#Cc1cccc([C@H](OC(=O)c2cc([N+](=O)[O-])ccc2F)C(=O)[O-])c1 ZINC000833075511 601349783 /nfs/dbraw/zinc/34/97/83/601349783.db2.gz CBBSODLWHRMKTQ-AWEZNQCLSA-N -1 0 344.254 2.588 20 30 EFEDRM CN(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000830636147 601350777 /nfs/dbraw/zinc/35/07/77/601350777.db2.gz WASYITAYPQPYOC-MRXNPFEDSA-N -1 0 342.326 2.746 20 30 EFEDRM Cn1cc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833043600 601351222 /nfs/dbraw/zinc/35/12/22/601351222.db2.gz DQPXWHCDVOMZTE-IBGZPJMESA-N -1 0 348.358 2.962 20 30 EFEDRM Cn1cc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833043604 601351227 /nfs/dbraw/zinc/35/12/27/601351227.db2.gz DQPXWHCDVOMZTE-LJQANCHMSA-N -1 0 348.358 2.962 20 30 EFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c(s2)CCOC3)C(=O)[O-])c1 ZINC000833077739 601352473 /nfs/dbraw/zinc/35/24/73/601352473.db2.gz ZSGVJSOJZGRCAE-OAHLLOKOSA-N -1 0 343.360 2.675 20 30 EFEDRM CCN(CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829635463 601352944 /nfs/dbraw/zinc/35/29/44/601352944.db2.gz KMTMVRITYSRBMH-GOSISDBHSA-N -1 0 338.363 2.754 20 30 EFEDRM Cc1noc(C(F)F)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833020063 601355066 /nfs/dbraw/zinc/35/50/66/601355066.db2.gz SEOHLGYBQKMBPZ-NSHDSACASA-N -1 0 336.250 2.775 20 30 EFEDRM Cc1cc(N2CC[C@@](F)(C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000832889024 601379811 /nfs/dbraw/zinc/37/98/11/601379811.db2.gz LQAABYAOCIGNNN-SFHVURJKSA-N -1 0 338.342 2.671 20 30 EFEDRM C#CCN(Cc1ccc(F)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000825614214 601398269 /nfs/dbraw/zinc/39/82/69/601398269.db2.gz IWQRFCBUINELHA-UHFFFAOYSA-N -1 0 337.354 2.967 20 30 EFEDRM C/C(=C\COC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000825785764 601423407 /nfs/dbraw/zinc/42/34/07/601423407.db2.gz BNPGDZJIFJAWEX-LFYBBSHMSA-N -1 0 341.319 2.918 20 30 EFEDRM N#Cc1c[nH]c(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000833068132 601438166 /nfs/dbraw/zinc/43/81/66/601438166.db2.gz OKNCBSWPSULZJN-INIZCTEOSA-N -1 0 347.374 2.713 20 30 EFEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccc(C#N)cn3)ccc2n1C ZINC000832852349 601450984 /nfs/dbraw/zinc/45/09/84/601450984.db2.gz SMFZZIXAJYPFGE-UHFFFAOYSA-N -1 0 335.319 2.671 20 30 EFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000830379399 601460880 /nfs/dbraw/zinc/46/08/80/601460880.db2.gz UWTYVHKINVWWKE-LLVKDONJSA-N -1 0 343.335 2.923 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000825632371 601486931 /nfs/dbraw/zinc/48/69/31/601486931.db2.gz YMLPDFGDBVUAMJ-UHFFFAOYSA-N -1 0 348.374 2.946 20 30 EFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(C#N)cs1 ZINC000831977865 601499013 /nfs/dbraw/zinc/49/90/13/601499013.db2.gz VCFBDAJASWNLMY-HYXAFXHYSA-N -1 0 329.333 2.945 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(OC)n1 ZINC000825702320 601529712 /nfs/dbraw/zinc/52/97/12/601529712.db2.gz JUZRNUOQKIKLGG-UHFFFAOYSA-N -1 0 343.335 2.745 20 30 EFEDRM COc1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000832356161 601592004 /nfs/dbraw/zinc/59/20/04/601592004.db2.gz BWCRYHMMWDIREP-UHFFFAOYSA-N -1 0 327.296 2.785 20 30 EFEDRM N#CCn1c(C(=O)NCC2(C(=O)[O-])CCCC2)cc2ccccc21 ZINC000833069102 601602653 /nfs/dbraw/zinc/60/26/53/601602653.db2.gz MMXWGTLNQAQXDK-UHFFFAOYSA-N -1 0 325.368 2.540 20 30 EFEDRM CON=Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000831837374 601609064 /nfs/dbraw/zinc/60/90/64/601609064.db2.gz YGDDYTMNVPUNDM-CXAGYDPISA-N -1 0 340.379 2.859 20 30 EFEDRM C[C@@H](CNC(=O)Nc1cccc(C#Cc2cccs2)c1)C(=O)[O-] ZINC000827493305 601616700 /nfs/dbraw/zinc/61/67/00/601616700.db2.gz OVJLMKOFLKPHJC-LBPRGKRZSA-N -1 0 328.393 2.990 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C(=O)[O-])sc2C)c1 ZINC000825636095 601619759 /nfs/dbraw/zinc/61/97/59/601619759.db2.gz BWVSMRPIUWCZNE-UHFFFAOYSA-N -1 0 342.420 2.807 20 30 EFEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC000833072286 601621010 /nfs/dbraw/zinc/62/10/10/601621010.db2.gz QXJSUQSYYLPYGW-AWEZNQCLSA-N -1 0 329.743 2.552 20 30 EFEDRM Cc1sc(C(=O)[O-])cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000833031594 601626798 /nfs/dbraw/zinc/62/67/98/601626798.db2.gz KXCCAQYLKXFSSI-UHFFFAOYSA-N -1 0 341.436 2.949 20 30 EFEDRM O=C([O-])c1ccc(CON=CC(=O)Nc2ccc(F)cc2)cc1F ZINC000833095673 601631067 /nfs/dbraw/zinc/63/10/67/601631067.db2.gz PZUXJBPQMMHBNC-UHFFFAOYSA-N -1 0 334.278 2.804 20 30 EFEDRM N#Cc1cc(F)c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000833068617 601645599 /nfs/dbraw/zinc/64/55/99/601645599.db2.gz DVKZQIHAWOUASW-UHFFFAOYSA-N -1 0 330.290 2.507 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C[C@H]1CCCCO1 ZINC000825702848 601654471 /nfs/dbraw/zinc/65/44/71/601654471.db2.gz YPAOWANGSQWBKO-CQSZACIVSA-N -1 0 334.368 2.987 20 30 EFEDRM CC[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000828976428 601677314 /nfs/dbraw/zinc/67/73/14/601677314.db2.gz PVCHUXYKKUQBQA-KRWDZBQOSA-N -1 0 338.363 2.730 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)c2cc(C#N)cs2)C(=O)[O-])c1 ZINC000832969701 601687420 /nfs/dbraw/zinc/68/74/20/601687420.db2.gz NTWXJSKZKJLLFU-AWEZNQCLSA-N -1 0 328.393 2.602 20 30 EFEDRM CCOC(=O)Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000829852807 601791752 /nfs/dbraw/zinc/79/17/52/601791752.db2.gz ORQZWJSEASUREA-YVMONPNESA-N -1 0 327.336 2.715 20 30 EFEDRM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C1=O ZINC000814745050 601796404 /nfs/dbraw/zinc/79/64/04/601796404.db2.gz GKIKVRUTHHYSEL-QGZVFWFLSA-N -1 0 348.403 2.718 20 30 EFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CC[C@H](CC)O1 ZINC000825702708 601800949 /nfs/dbraw/zinc/80/09/49/601800949.db2.gz WLVDJSRIBXBMQA-KBPBESRZSA-N -1 0 334.368 2.985 20 30 EFEDRM N#C[C@@H]1CN(Cc2ccsc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000833062565 601827127 /nfs/dbraw/zinc/82/71/27/601827127.db2.gz NFYKWROIDCZGBD-MRXNPFEDSA-N -1 0 341.436 2.656 20 30 EFEDRM C=CC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccncc1 ZINC000825665297 601827643 /nfs/dbraw/zinc/82/76/43/601827643.db2.gz YGSXCWYTHAVYAL-INIZCTEOSA-N -1 0 331.416 2.985 20 30 EFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3cccs3)CC2)cc1 ZINC000833072635 601968500 /nfs/dbraw/zinc/96/85/00/601968500.db2.gz WJBDFFBELNERQX-MRXNPFEDSA-N -1 0 327.409 2.568 20 30 EFEDRM N#CCCN(C(=O)CNc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000819091196 601969335 /nfs/dbraw/zinc/96/93/35/601969335.db2.gz SCBBOLODZPWWGC-UHFFFAOYSA-N -1 0 337.379 2.672 20 30 EFEDRM CCCn1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC000829585393 601985898 /nfs/dbraw/zinc/98/58/98/601985898.db2.gz UILWFTHUTVVTKP-INIZCTEOSA-N -1 0 341.367 2.764 20 30 EFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827880227 601999145 /nfs/dbraw/zinc/99/91/45/601999145.db2.gz ZYCHNZMJUGFALB-JTQLQIEISA-N -1 0 331.349 2.829 20 30 EFEDRM C[C@@H](Oc1ccc(CN=Nc2nncc3ccccc32)cc1)C(=O)[O-] ZINC000794860550 602066943 /nfs/dbraw/zinc/06/69/43/602066943.db2.gz SERRZQGLDSPLBI-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM C[C@H](Oc1ccc(C=NNc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794896175 602072403 /nfs/dbraw/zinc/07/24/03/602072403.db2.gz WJTCETGFYJOMIE-LBPRGKRZSA-N -1 0 338.367 2.871 20 30 EFEDRM N#CCOc1ccc(CNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000739088610 602100375 /nfs/dbraw/zinc/10/03/75/602100375.db2.gz UPXXDOSHCDGPKE-UHFFFAOYSA-N -1 0 325.324 2.609 20 30 EFEDRM COC(=O)c1ccc(NCc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000831435354 602104702 /nfs/dbraw/zinc/10/47/02/602104702.db2.gz VODDAWHNMUKZOE-UHFFFAOYSA-N -1 0 328.299 2.794 20 30 EFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1)C(=O)[O-] ZINC000794702413 602112362 /nfs/dbraw/zinc/11/23/62/602112362.db2.gz QDJRHYQXDAICLK-OHYQPGSNSA-N -1 0 328.320 2.846 20 30 EFEDRM CN(Cc1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000830841065 602129934 /nfs/dbraw/zinc/12/99/34/602129934.db2.gz UPBSANLWOHFUTH-UHFFFAOYSA-N -1 0 327.300 2.715 20 30 EFEDRM CC(C)Oc1cncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827066097 602149173 /nfs/dbraw/zinc/14/91/73/602149173.db2.gz ITJFWNRHDGVRDH-MRXNPFEDSA-N -1 0 340.335 2.723 20 30 EFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833073039 602187327 /nfs/dbraw/zinc/18/73/27/602187327.db2.gz FLAKONAIVVIQOI-CQSZACIVSA-N -1 0 341.392 2.925 20 30 EFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000833071567 602241905 /nfs/dbraw/zinc/24/19/05/602241905.db2.gz JDLIXRODYXMOFY-CVEARBPZSA-N -1 0 328.393 2.819 20 30 EFEDRM Cn1cc(C#N)cc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833040752 602260061 /nfs/dbraw/zinc/26/00/61/602260061.db2.gz QGVJVBDIYGJHGU-UHFFFAOYSA-N -1 0 349.346 2.766 20 30 EFEDRM CCc1[nH]c(C(=O)OCc2ccc(F)c(C#N)c2)c(C)c1C(=O)[O-] ZINC000830202069 602266651 /nfs/dbraw/zinc/26/66/51/602266651.db2.gz GMOWHJKWSADTCK-UHFFFAOYSA-N -1 0 330.315 2.952 20 30 EFEDRM CC(C)C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-] ZINC000818623326 602281924 /nfs/dbraw/zinc/28/19/24/602281924.db2.gz ITOLWHCQHHKMIG-LLVKDONJSA-N -1 0 337.351 2.596 20 30 EFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832910679 602319586 /nfs/dbraw/zinc/31/95/86/602319586.db2.gz ZURVVPMCPTXYAU-UHFFFAOYSA-N -1 0 331.349 2.641 20 30 EFEDRM C#CCOc1ccc(F)cc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825631388 602362446 /nfs/dbraw/zinc/36/24/46/602362446.db2.gz CBOYNYNZYXVGDE-UHFFFAOYSA-N -1 0 331.303 2.518 20 30 EFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825682420 602367335 /nfs/dbraw/zinc/36/73/35/602367335.db2.gz ZQUGSTYOJFNQJD-UHFFFAOYSA-N -1 0 343.383 2.952 20 30 EFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825625921 602375455 /nfs/dbraw/zinc/37/54/55/602375455.db2.gz PXYVCULEWDFEAB-UHFFFAOYSA-N -1 0 331.303 2.518 20 30 EFEDRM C=C(C)COc1cccc(NC(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000736094784 602595471 /nfs/dbraw/zinc/59/54/71/602595471.db2.gz VOGZADNATQSTJH-UHFFFAOYSA-N -1 0 333.388 2.905 20 30 EFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736200269 602654719 /nfs/dbraw/zinc/65/47/19/602654719.db2.gz BBOUKLCFODBJFG-GFCCVEGCSA-N -1 0 348.428 2.766 20 30 EFEDRM COC(=O)[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737577816 603087422 /nfs/dbraw/zinc/08/74/22/603087422.db2.gz LFDFRUXOOOFAMA-HNNXBMFYSA-N -1 0 325.324 2.974 20 30 EFEDRM CN(CCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000828279456 603707883 /nfs/dbraw/zinc/70/78/83/603707883.db2.gz XQRWYTBZFMQVLL-HOTGVXAUSA-N -1 0 329.400 2.675 20 30 EFEDRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(CC#N)CC(=O)[O-] ZINC000832870521 604284015 /nfs/dbraw/zinc/28/40/15/604284015.db2.gz IZRYOAODDYTORV-UHFFFAOYSA-N -1 0 346.427 2.888 20 30 EFEDRM C=C(Cl)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825647430 604357815 /nfs/dbraw/zinc/35/78/15/604357815.db2.gz NDMOAUAZMBMZGZ-CQSZACIVSA-N -1 0 329.227 2.836 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000826642227 604376069 /nfs/dbraw/zinc/37/60/69/604376069.db2.gz SQEQFAPRVOTRIY-UHFFFAOYSA-N -1 0 331.353 2.509 20 30 EFEDRM C=CCNc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000825692125 604432890 /nfs/dbraw/zinc/43/28/90/604432890.db2.gz JFHCEMGOIIPSEQ-CYBMUJFWSA-N -1 0 343.364 2.595 20 30 EFEDRM C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833369637 604490959 /nfs/dbraw/zinc/49/09/59/604490959.db2.gz BPIMAWWYRKELGE-LBPRGKRZSA-N -1 0 328.372 2.965 20 30 EFEDRM C=C(C)[C@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)OCC ZINC000833368615 604541978 /nfs/dbraw/zinc/54/19/78/604541978.db2.gz MXXRFTYGDFKUKE-AWEZNQCLSA-N -1 0 332.356 2.871 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000832080036 604544254 /nfs/dbraw/zinc/54/42/54/604544254.db2.gz HGVXNXFAPHJAFQ-MRXNPFEDSA-N -1 0 341.319 2.558 20 30 EFEDRM C#CCOCCC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833364469 604550395 /nfs/dbraw/zinc/55/03/95/604550395.db2.gz RWHSJSMGUIRJPE-AWEZNQCLSA-N -1 0 344.194 2.617 20 30 EFEDRM Cc1cc([C@H](C)OC(=O)CNc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832872051 604570702 /nfs/dbraw/zinc/57/07/02/604570702.db2.gz LSHOFOFJSTWMBL-NSHDSACASA-N -1 0 328.324 2.874 20 30 EFEDRM COc1cc(OC)cc([C@@H](OC(=O)c2sccc2C#N)C(=O)[O-])c1 ZINC000832080079 604576817 /nfs/dbraw/zinc/57/68/17/604576817.db2.gz IAORHVRTQJYXLS-CYBMUJFWSA-N -1 0 347.348 2.620 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cs1 ZINC000833376178 604579791 /nfs/dbraw/zinc/57/97/91/604579791.db2.gz VTKBEPAYJBNZLJ-UHFFFAOYSA-N -1 0 343.364 2.668 20 30 EFEDRM C[C@H]1CCCC[C@H]1OCC(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833614284 604583136 /nfs/dbraw/zinc/58/31/36/604583136.db2.gz ZVWOWRTVCIDXSP-BLLLJJGKSA-N -1 0 331.368 2.895 20 30 EFEDRM C#CCOCCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833366378 604613710 /nfs/dbraw/zinc/61/37/10/604613710.db2.gz UMKJSKMAZSTGQK-ZDUSSCGKSA-N -1 0 330.258 2.571 20 30 EFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000827038890 604623134 /nfs/dbraw/zinc/62/31/34/604623134.db2.gz WEFOVRSWUUMHGW-ZDUSSCGKSA-N -1 0 331.372 2.816 20 30 EFEDRM O=C([O-])N1C/C(=C/c2cncs2)C(=O)/C(=C\c2cncs2)C1 ZINC000833356966 604629177 /nfs/dbraw/zinc/62/91/77/604629177.db2.gz XXXVDJIMKKVHMO-LNUNWCPQSA-N -1 0 333.394 2.629 20 30 EFEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ccc(Cl)c(C#N)n1 ZINC000830000037 604634739 /nfs/dbraw/zinc/63/47/39/604634739.db2.gz AGLUVNPJUSMWMW-LLVKDONJSA-N -1 0 325.796 2.560 20 30 EFEDRM C#CC[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833361133 604638100 /nfs/dbraw/zinc/63/81/00/604638100.db2.gz XCRJHVSGUUSVCL-GOSISDBHSA-N -1 0 336.391 2.991 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000827054626 604639169 /nfs/dbraw/zinc/63/91/69/604639169.db2.gz MFSVUCASBTUOAY-BXUZGUMPSA-N -1 0 331.372 2.530 20 30 EFEDRM C#CC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000776686402 604651112 /nfs/dbraw/zinc/65/11/12/604651112.db2.gz WPRMUFULAIRKNK-INIZCTEOSA-N -1 0 338.319 2.787 20 30 EFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(F)c1 ZINC000833072383 604655760 /nfs/dbraw/zinc/65/57/60/604655760.db2.gz XYTYUXBXHWXBJY-XBXARRHUSA-N -1 0 347.323 2.563 20 30 EFEDRM C[C@@H](Oc1ccc(C=NN2CCc3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794921515 604684512 /nfs/dbraw/zinc/68/45/12/604684512.db2.gz IODORWVNBPVREH-CYBMUJFWSA-N -1 0 338.363 2.571 20 30 EFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833542098 604697053 /nfs/dbraw/zinc/69/70/53/604697053.db2.gz ZBPKGOMGGXFRRA-NSHDSACASA-N -1 0 343.310 2.906 20 30 EFEDRM C=CCNc1ncc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000825692488 604738066 /nfs/dbraw/zinc/73/80/66/604738066.db2.gz WRLMYQMKQHYUAK-UHFFFAOYSA-N -1 0 345.424 2.858 20 30 EFEDRM C=CCNc1ncc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000825692171 604743686 /nfs/dbraw/zinc/74/36/86/604743686.db2.gz LRMVRPHGWQEZEQ-BXUZGUMPSA-N -1 0 345.424 2.933 20 30 EFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000826799884 604748373 /nfs/dbraw/zinc/74/83/73/604748373.db2.gz BEHKEQQUMNJHEI-AWEZNQCLSA-N -1 0 333.388 2.966 20 30 EFEDRM C=CCn1c(COc2ccc(C)cc2)nnc1SCCC(=O)[O-] ZINC000825711050 604749737 /nfs/dbraw/zinc/74/97/37/604749737.db2.gz MQHNSKYCBQTJFZ-UHFFFAOYSA-N -1 0 333.413 2.918 20 30 EFEDRM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1C#N ZINC000832794208 604750384 /nfs/dbraw/zinc/75/03/84/604750384.db2.gz FLICZHKDEKNQQG-NSHDSACASA-N -1 0 345.424 2.632 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(C(=O)[O-])cc2F)c1 ZINC000833368961 604750703 /nfs/dbraw/zinc/75/07/03/604750703.db2.gz XUWABSBIPMNLRN-UHFFFAOYSA-N -1 0 340.354 2.576 20 30 EFEDRM CC(=NNc1ccc(Cl)cc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000825809056 604783253 /nfs/dbraw/zinc/78/32/53/604783253.db2.gz LHRDDTZCKMVJKM-UHFFFAOYSA-N -1 0 328.159 2.506 20 30 EFEDRM CC(=NN=C1c2ccccc2-c2ccccc21)c1cn(CC(=O)[O-])nn1 ZINC000825798810 604784331 /nfs/dbraw/zinc/78/43/31/604784331.db2.gz ZDPVEXWHXHAHMN-UHFFFAOYSA-N -1 0 345.362 2.605 20 30 EFEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)cc2F)NC(=O)N1CC1CC1 ZINC000828135738 604793939 /nfs/dbraw/zinc/79/39/39/604793939.db2.gz QDCPODSJAIPZKX-OAHLLOKOSA-N -1 0 329.331 2.532 20 30 EFEDRM O=C([O-])CNC(=O)c1ccc(NCC#Cc2cccc(Cl)c2)cc1 ZINC000833253154 604797198 /nfs/dbraw/zinc/79/71/98/604797198.db2.gz LTMJQJVAJDFGKM-UHFFFAOYSA-N -1 0 342.782 2.618 20 30 EFEDRM Cc1cccc(S(=O)(=O)Nc2ccc(C#N)cc2F)c1C(=O)[O-] ZINC000832973157 604807378 /nfs/dbraw/zinc/80/73/78/604807378.db2.gz XFFFGXMOXOFWTQ-UHFFFAOYSA-N -1 0 334.328 2.505 20 30 EFEDRM CCOc1cc(C#N)ccc1OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833661228 604810641 /nfs/dbraw/zinc/81/06/41/604810641.db2.gz MOMDZUZVZNRERF-UHFFFAOYSA-N -1 0 325.320 2.803 20 30 EFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409307 604846708 /nfs/dbraw/zinc/84/67/08/604846708.db2.gz LJMMVHHVBICUIK-ZDUSSCGKSA-N -1 0 349.390 2.642 20 30 EFEDRM C=CCn1c(C)nn(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC000833379721 604862933 /nfs/dbraw/zinc/86/29/33/604862933.db2.gz KYKZXHALHFBRQQ-ZDUSSCGKSA-N -1 0 338.477 2.689 20 30 EFEDRM O=C([O-])C1(NC(=O)CON=Cc2ccc(Cl)cc2)CCCCC1 ZINC000833764333 604868816 /nfs/dbraw/zinc/86/88/16/604868816.db2.gz GGXHVTXOTMAIAI-UHFFFAOYSA-N -1 0 338.791 2.594 20 30 EFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000832984252 604886290 /nfs/dbraw/zinc/88/62/90/604886290.db2.gz MQGDKJCSCNQSBA-NSHDSACASA-N -1 0 338.298 2.594 20 30 EFEDRM CC(C)C[C@@H]1CCC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833483080 604906425 /nfs/dbraw/zinc/90/64/25/604906425.db2.gz LDOAHWXGBYPRCH-LBPRGKRZSA-N -1 0 328.368 2.568 20 30 EFEDRM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(C(=O)[O-])o1 ZINC000833533614 604914123 /nfs/dbraw/zinc/91/41/23/604914123.db2.gz YNBPMZQKRWMRDM-LLVKDONJSA-N -1 0 329.308 2.727 20 30 EFEDRM C=C(Br)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833367772 604949411 /nfs/dbraw/zinc/94/94/11/604949411.db2.gz UISVDJHWMPKGJC-UHFFFAOYSA-N -1 0 334.597 2.841 20 30 EFEDRM C=CCN(C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC000833375467 604974319 /nfs/dbraw/zinc/97/43/19/604974319.db2.gz ZIWQOGDXPXRYPF-UHFFFAOYSA-N -1 0 338.385 2.724 20 30 EFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000833413646 604975884 /nfs/dbraw/zinc/97/58/84/604975884.db2.gz DLUBJFMNCOPUGL-INIZCTEOSA-N -1 0 328.412 2.571 20 30 EFEDRM C=CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825705617 604981747 /nfs/dbraw/zinc/98/17/47/604981747.db2.gz OWALMGPXLWPDOT-GFCCVEGCSA-N -1 0 348.428 2.757 20 30 EFEDRM CCc1nc(NC(=O)/C=C\c2ccccc2C#N)sc1C(=O)[O-] ZINC000833675795 604992739 /nfs/dbraw/zinc/99/27/39/604992739.db2.gz HNIMQUHMWUOFEC-FPLPWBNLSA-N -1 0 327.365 2.927 20 30 EFEDRM C[C@@H](CC#N)OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000833516472 605007928 /nfs/dbraw/zinc/00/79/28/605007928.db2.gz XQFKWEWPBXPVID-VIFPVBQESA-N -1 0 338.341 2.621 20 30 EFEDRM CCC[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000833649389 605022419 /nfs/dbraw/zinc/02/24/19/605022419.db2.gz PAKKRBKBNUVAGQ-OAHLLOKOSA-N -1 0 342.351 2.713 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Br)cn1 ZINC000833407190 605039967 /nfs/dbraw/zinc/03/99/67/605039967.db2.gz SBUMFJIIASFPDA-VIFPVBQESA-N -1 0 337.177 2.737 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1oc(C(C)(C)C)nc1C#N ZINC000833406331 605040121 /nfs/dbraw/zinc/04/01/21/605040121.db2.gz MXFFTHHRZBTISU-JTQLQIEISA-N -1 0 329.360 2.737 20 30 EFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)nc1 ZINC000833408147 605040244 /nfs/dbraw/zinc/04/02/44/605040244.db2.gz WYZDCKFNPAHXON-VIFPVBQESA-N -1 0 337.177 2.737 20 30 EFEDRM C=CCNc1nc(C(=O)OCc2ccccc2CC(=O)[O-])cs1 ZINC000833375980 605053271 /nfs/dbraw/zinc/05/32/71/605053271.db2.gz QFTDXBAZSSFKAG-UHFFFAOYSA-N -1 0 332.381 2.725 20 30 EFEDRM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000833367491 605054798 /nfs/dbraw/zinc/05/47/98/605054798.db2.gz YOYQMWVNGLOPSQ-DZGCQCFKSA-N -1 0 333.384 2.985 20 30 EFEDRM C=CCOc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833378163 605077223 /nfs/dbraw/zinc/07/72/23/605077223.db2.gz AAEIXNCAVPYJDQ-MRXNPFEDSA-N -1 0 338.319 2.501 20 30 EFEDRM CC(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000833509220 605078703 /nfs/dbraw/zinc/07/87/03/605078703.db2.gz HEDDEEHWBAFUCK-MRXNPFEDSA-N -1 0 340.335 2.765 20 30 EFEDRM C=CCOc1cccnc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000833378576 605087716 /nfs/dbraw/zinc/08/77/16/605087716.db2.gz JNFYUOOXFDTODZ-CYBMUJFWSA-N -1 0 338.363 2.865 20 30 EFEDRM CC(C)(C#N)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833412708 605095132 /nfs/dbraw/zinc/09/51/32/605095132.db2.gz FNVLSFOXKPFFGS-UHFFFAOYSA-N -1 0 327.287 2.657 20 30 EFEDRM O=C([O-])c1ccccc1NN=Cc1ccc(-n2cncn2)c(F)c1 ZINC000833783753 605099527 /nfs/dbraw/zinc/09/95/27/605099527.db2.gz LIQHRDHYFLPDMP-UHFFFAOYSA-N -1 0 325.303 2.551 20 30 EFEDRM C=CCN(CC=C)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000833374134 605129249 /nfs/dbraw/zinc/12/92/49/605129249.db2.gz ABJSXFWEGOGVGA-UHFFFAOYSA-N -1 0 338.385 2.747 20 30 EFEDRM C=C(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S ZINC000833369400 605145458 /nfs/dbraw/zinc/14/54/58/605145458.db2.gz VJHOJKSQYVFACA-QPEQYQDCSA-N -1 0 349.433 2.927 20 30 EFEDRM Cc1cc(O)cc2c1C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)O2 ZINC000833746682 605147613 /nfs/dbraw/zinc/14/76/13/605147613.db2.gz GHNNPNQXJYDADT-VIZOYTHASA-N -1 0 326.304 2.780 20 30 EFEDRM COC(=O)c1cc(OCc2ccc(C#N)cc2OC)cc(C(=O)[O-])c1 ZINC000833714247 605148093 /nfs/dbraw/zinc/14/80/93/605148093.db2.gz PQBBZYMQRINWDS-UHFFFAOYSA-N -1 0 341.319 2.631 20 30 EFEDRM C=CCOc1cccnc1C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC000833378746 605152865 /nfs/dbraw/zinc/15/28/65/605152865.db2.gz MKVKSCSMFWGEEC-UHFFFAOYSA-N -1 0 333.369 2.616 20 30 EFEDRM C=CCCC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833373513 605174314 /nfs/dbraw/zinc/17/43/14/605174314.db2.gz RBKXZCLSUIKXQJ-ZDUSSCGKSA-N -1 0 326.190 2.999 20 30 EFEDRM C=CC[C@@H](CO)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833371836 605202667 /nfs/dbraw/zinc/20/26/67/605202667.db2.gz XLPPSLGDHDGYHF-SECBINFHSA-N -1 0 346.305 2.710 20 30 EFEDRM C=CCCOCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833374894 605239718 /nfs/dbraw/zinc/23/97/18/605239718.db2.gz LTMWNMOBYUHNGC-KRWDZBQOSA-N -1 0 331.412 2.788 20 30 EFEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000398058350 605250360 /nfs/dbraw/zinc/25/03/60/605250360.db2.gz GDBAFRIATJJMBH-VIFPVBQESA-N -1 0 333.356 2.686 20 30 EFEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000833455646 605260595 /nfs/dbraw/zinc/26/05/95/605260595.db2.gz MJTJNXNLXXKESK-UHFFFAOYSA-N -1 0 326.299 2.989 20 30 EFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833372995 605291014 /nfs/dbraw/zinc/29/10/14/605291014.db2.gz CRRXSTXZBNGVDL-SNVBAGLBSA-N -1 0 337.351 2.715 20 30 EFEDRM C[C@@]1(C#N)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000833550692 605400349 /nfs/dbraw/zinc/40/03/49/605400349.db2.gz CPABLUFOSBMQND-KRWDZBQOSA-N -1 0 330.388 2.654 20 30 EFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C/c2ccc(C(=O)[O-])o2)C1 ZINC000833393867 605417589 /nfs/dbraw/zinc/41/75/89/605417589.db2.gz UNCNVAXSARTGNB-MDWZMJQESA-N -1 0 325.320 2.606 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1 ZINC000833368100 605419777 /nfs/dbraw/zinc/41/97/77/605419777.db2.gz GQWOQTYZZIKMGC-UHFFFAOYSA-N -1 0 347.392 2.737 20 30 EFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833376153 605425273 /nfs/dbraw/zinc/42/52/73/605425273.db2.gz OPPPSWPDJBFHRQ-UHFFFAOYSA-N -1 0 349.408 2.917 20 30 EFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1CC)c1ccccc1 ZINC000833362780 605438907 /nfs/dbraw/zinc/43/89/07/605438907.db2.gz KRGRNISBDAVQKQ-CYBMUJFWSA-N -1 0 347.392 2.583 20 30 EFEDRM C=CCN(CCc1ccco1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833374486 605445722 /nfs/dbraw/zinc/44/57/22/605445722.db2.gz LSRNTKXNWVKXBR-UHFFFAOYSA-N -1 0 349.408 2.538 20 30 EFEDRM C#CCOc1ccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833366063 605512561 /nfs/dbraw/zinc/51/25/61/605512561.db2.gz DRBOHKMEJFWFLR-QGZVFWFLSA-N -1 0 342.322 2.690 20 30 EFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833432349 605626487 /nfs/dbraw/zinc/62/64/87/605626487.db2.gz LTCTXKYKMOBCDZ-OAHLLOKOSA-N -1 0 338.385 2.646 20 30 EFEDRM C=CCNc1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2F)s1 ZINC000833375515 605816786 /nfs/dbraw/zinc/81/67/86/605816786.db2.gz CEFKBKRVPWCNCX-UHFFFAOYSA-N -1 0 336.344 2.935 20 30 EFEDRM C=CCn1c(=O)[nH]nc1SCc1cc(C(=O)[O-])ccc1Cl ZINC000833380862 605861065 /nfs/dbraw/zinc/86/10/65/605861065.db2.gz QRILKWVHVSHKKE-UHFFFAOYSA-N -1 0 325.777 2.814 20 30 EFEDRM C=CCCCN(C)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833374419 605920834 /nfs/dbraw/zinc/92/08/34/605920834.db2.gz ZVFLXFIAGWLIDV-UHFFFAOYSA-N -1 0 332.400 2.871 20 30 EFEDRM COc1ccc([C@H](C)C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC000821777399 606166384 /nfs/dbraw/zinc/16/63/84/606166384.db2.gz DZOWZYWOLXZIFN-SECBINFHSA-N -1 0 341.375 2.763 20 30 EFEDRM Cc1cc(C)n(N=C[C@H]2CCCC(C)(C)C2)c(=O)c1-c1nnn[n-]1 ZINC000826265172 607782584 /nfs/dbraw/zinc/78/25/84/607782584.db2.gz OKZTUPGQIASRLL-ZDUSSCGKSA-N -1 0 328.420 2.696 20 30 EFEDRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001771715760 1250112990 /nfs/dbraw/zinc/11/29/90/1250112990.db2.gz XJVNVYURKCLLPN-UHFFFAOYSA-N -1 0 336.392 2.529 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C(C)C)no2)n1 ZINC000733832961 1265445974 /nfs/dbraw/zinc/44/59/74/1265445974.db2.gz SDQVHLLMPOOHEZ-SNVBAGLBSA-N -1 0 333.369 2.596 20 30 EFEDRM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452599 1248245563 /nfs/dbraw/zinc/24/55/63/1248245563.db2.gz LQWSRIWBUNOAIR-QPEQYQDCSA-N -1 0 333.413 2.933 20 30 EFEDRM N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)cc2=O ZINC000850307553 1250416448 /nfs/dbraw/zinc/41/64/48/1250416448.db2.gz YUFSZIIFGSWCRO-FOLVSLTJSA-N -1 0 340.383 2.566 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)cc1C ZINC000850733185 1250583246 /nfs/dbraw/zinc/58/32/46/1250583246.db2.gz QFEJNIXBTNKCTK-UHFFFAOYSA-N -1 0 334.441 2.973 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000850732720 1250584167 /nfs/dbraw/zinc/58/41/67/1250584167.db2.gz DDUMWRUMABFWIZ-GJZGRUSLSA-N -1 0 332.425 2.580 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000850733922 1250584833 /nfs/dbraw/zinc/58/48/33/1250584833.db2.gz ZPHIHDOJUZKDHA-WKILWMFISA-N -1 0 346.452 2.970 20 30 EFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000850736557 1250585333 /nfs/dbraw/zinc/58/53/33/1250585333.db2.gz PFPJPXNHXNGPJS-UHFFFAOYSA-N -1 0 348.424 2.558 20 30 EFEDRM COCCCOCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000850740643 1250589041 /nfs/dbraw/zinc/58/90/41/1250589041.db2.gz ZAIWXRSBRCZNKX-OAHLLOKOSA-N -1 0 342.395 2.811 20 30 EFEDRM CSc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)o1 ZINC000850752040 1250593909 /nfs/dbraw/zinc/59/39/09/1250593909.db2.gz JOISCPVGVLWIKJ-ZDUSSCGKSA-N -1 0 338.429 2.564 20 30 EFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1coc(-c2cccnc2)n1 ZINC000850757868 1250597030 /nfs/dbraw/zinc/59/70/30/1250597030.db2.gz SIWNQQHVJRWYEU-CQSZACIVSA-N -1 0 338.367 2.508 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1C(F)(F)F ZINC000850761425 1250600559 /nfs/dbraw/zinc/60/05/59/1250600559.db2.gz MGQDFUDKRDWVPB-JTQLQIEISA-N -1 0 328.290 2.561 20 30 EFEDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000850827472 1250638430 /nfs/dbraw/zinc/63/84/30/1250638430.db2.gz UBLKQOSORPNMMY-CQSZACIVSA-N -1 0 346.811 2.935 20 30 EFEDRM CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000850913882 1250685488 /nfs/dbraw/zinc/68/54/88/1250685488.db2.gz BEVISEZRQZCTRN-LSDHHAIUSA-N -1 0 333.494 2.856 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2[C@H]3CCCCCC[C@H]23)CCCC1 ZINC000850932903 1250694152 /nfs/dbraw/zinc/69/41/52/1250694152.db2.gz RZBQPCZWWKADGL-KBPBESRZSA-N -1 0 338.473 2.733 20 30 EFEDRM CC(C)c1ccccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000850933307 1250696783 /nfs/dbraw/zinc/69/67/83/1250696783.db2.gz ZDHLGUFLBHGQOF-UHFFFAOYSA-N -1 0 334.441 2.954 20 30 EFEDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000850947956 1250705567 /nfs/dbraw/zinc/70/55/67/1250705567.db2.gz KGVZPTNGMHAZMO-CQSZACIVSA-N -1 0 332.441 2.825 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCOC3)c1 ZINC000850977462 1250721797 /nfs/dbraw/zinc/72/17/97/1250721797.db2.gz VQWLZYSFWGTPMN-IBGZPJMESA-N -1 0 348.402 2.707 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000850999582 1250735438 /nfs/dbraw/zinc/73/54/38/1250735438.db2.gz GSAULIJHKKKJOS-OAHLLOKOSA-N -1 0 341.860 2.939 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000851031311 1250760743 /nfs/dbraw/zinc/76/07/43/1250760743.db2.gz BDTZOFROXADMRM-SECBINFHSA-N -1 0 326.245 2.515 20 30 EFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)CCCCC1 ZINC000851057160 1250778025 /nfs/dbraw/zinc/77/80/25/1250778025.db2.gz DGOJFWPGFSVWBN-YMAMQOFZSA-N -1 0 338.473 2.875 20 30 EFEDRM CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1 ZINC000851113378 1250803547 /nfs/dbraw/zinc/80/35/47/1250803547.db2.gz ZSNUBKWMGAOQMB-CQSZACIVSA-N -1 0 343.493 2.753 20 30 EFEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)C2=CCCCCC2)c1 ZINC000851191398 1250858546 /nfs/dbraw/zinc/85/85/46/1250858546.db2.gz CEEIHPUPSQUSRY-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191657 1250859306 /nfs/dbraw/zinc/85/93/06/1250859306.db2.gz JVMLXEILWMEGAY-FLIBITNWSA-N -1 0 338.404 2.636 20 30 EFEDRM C[C@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000851213675 1250867836 /nfs/dbraw/zinc/86/78/36/1250867836.db2.gz IWFCRVLZXFVKTO-SNVBAGLBSA-N -1 0 345.424 2.707 20 30 EFEDRM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000851213667 1250868077 /nfs/dbraw/zinc/86/80/77/1250868077.db2.gz IWFCRVLZXFVKTO-JTQLQIEISA-N -1 0 345.424 2.707 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(Br)cc(C)c1C ZINC000851603793 1251124387 /nfs/dbraw/zinc/12/43/87/1251124387.db2.gz VUOQPWWPIHPRKZ-UHFFFAOYSA-N -1 0 326.190 2.779 20 30 EFEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1O ZINC000176514646 1252014068 /nfs/dbraw/zinc/01/40/68/1252014068.db2.gz UIHXXGNFHYGTFW-UHFFFAOYSA-N -1 0 347.352 2.535 20 30 EFEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073266360 1253704923 /nfs/dbraw/zinc/70/49/23/1253704923.db2.gz GVVDEDNFBAAOLB-BMFZPTHFSA-N -1 0 333.409 2.828 20 30 EFEDRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCN1C(=O)CC ZINC000073534270 1259114303 /nfs/dbraw/zinc/11/43/03/1259114303.db2.gz LCAYXKWIUVFBFB-CHWSQXEVSA-N -1 0 332.466 2.500 20 30 EFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)[nH]n1 ZINC000091125646 1260207448 /nfs/dbraw/zinc/20/74/48/1260207448.db2.gz OQGLYNWCNPDCEG-UHFFFAOYSA-N -1 0 349.412 2.552 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2n1CC#N ZINC000729890169 1264101918 /nfs/dbraw/zinc/10/19/18/1264101918.db2.gz WKGCAKHBUYZFQU-HNNXBMFYSA-N -1 0 336.395 2.794 20 30 EFEDRM O=C1CCCCN1CCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000730146668 1264214210 /nfs/dbraw/zinc/21/42/10/1264214210.db2.gz DDNSFPCTIJOBDV-LICLKQGHSA-N -1 0 339.779 2.775 20 30 EFEDRM Cc1nn(C)cc1C(=O)/C=C/c1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000730729484 1264428870 /nfs/dbraw/zinc/42/88/70/1264428870.db2.gz IYPORQZTTWQHLW-VMPITWQZSA-N -1 0 336.294 2.681 20 30 EFEDRM Cn1ncc2c1CC/C(=C\c1ccc(OC(F)(F)C(=O)[O-])cc1)C2=O ZINC000730730290 1264429021 /nfs/dbraw/zinc/42/90/21/1264429021.db2.gz WLAVMKBUJUOPOV-DHZHZOJOSA-N -1 0 348.305 2.689 20 30 EFEDRM O=C([O-])C(F)(F)Oc1ccc(C=Nn2cnc3ccccc32)cc1 ZINC000730728235 1264429050 /nfs/dbraw/zinc/42/90/50/1264429050.db2.gz NHDXIQYNJZZFDL-UHFFFAOYSA-N -1 0 331.278 2.975 20 30 EFEDRM COC(=O)CCCNC(=S)[N-]c1ccccc1SCCC#N ZINC000730953178 1264491759 /nfs/dbraw/zinc/49/17/59/1264491759.db2.gz RMIILRJHOZQTGQ-UHFFFAOYSA-N -1 0 337.470 2.932 20 30 EFEDRM C#CCOc1cccc(NS(=O)(=O)c2cccc(COC)c2)c1 ZINC000730995176 1264509283 /nfs/dbraw/zinc/50/92/83/1264509283.db2.gz ARFBMYFMYOMXMY-UHFFFAOYSA-N -1 0 331.393 2.646 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000133383994 1264678361 /nfs/dbraw/zinc/67/83/61/1264678361.db2.gz BNEKKDLPKWMOMS-SECBINFHSA-N -1 0 338.207 2.793 20 30 EFEDRM O=C([O-])COc1cccc(C=NNCCCOc2ccccc2)c1 ZINC000733204793 1265111005 /nfs/dbraw/zinc/11/10/05/1265111005.db2.gz ZTOSSDOYAIDDTJ-UHFFFAOYSA-N -1 0 328.368 2.543 20 30 EFEDRM C=CCC1(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC000922751173 1266718120 /nfs/dbraw/zinc/71/81/20/1266718120.db2.gz AYFCNBUGPRUUFB-ZDUSSCGKSA-N -1 0 333.436 2.536 20 30 EFEDRM Cc1ccc(-c2ncc(C=Nn3c(=O)c(C)n[n-]c3=S)s2)cc1 ZINC000734297420 1266938884 /nfs/dbraw/zinc/93/88/84/1266938884.db2.gz KWYDSLXZMLODTC-UHFFFAOYSA-N -1 0 343.437 2.550 20 30 EFEDRM COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])c(OCC(=O)[O-])c1 ZINC000734363242 1266954592 /nfs/dbraw/zinc/95/45/92/1266954592.db2.gz YUSIEQLXMIDHSP-UHFFFAOYSA-N -1 0 345.311 2.513 20 30 EFEDRM COc1cccc(NN=Cc2ccc(OC)cc2OCC(=O)[O-])c1 ZINC000734363416 1266954679 /nfs/dbraw/zinc/95/46/79/1266954679.db2.gz JNQKYLIDFDHZPE-UHFFFAOYSA-N -1 0 330.340 2.613 20 30 EFEDRM COc1ccc(C=NNCc2ccccc2Cl)c(OCC(=O)[O-])c1 ZINC000734365675 1266956216 /nfs/dbraw/zinc/95/62/16/1266956216.db2.gz PLEQKGMYZWLDAX-UHFFFAOYSA-N -1 0 348.786 2.936 20 30 EFEDRM COc1ccc(C=NN[C@H](C)c2ccccc2)c(OCC(=O)[O-])c1 ZINC000734365694 1266956340 /nfs/dbraw/zinc/95/63/40/1266956340.db2.gz QAAWTOGMEHTBCM-CYBMUJFWSA-N -1 0 328.368 2.843 20 30 EFEDRM COc1ccc(C=NNCCCc2ccccc2)c(OCC(=O)[O-])c1 ZINC000734365333 1266956400 /nfs/dbraw/zinc/95/64/00/1266956400.db2.gz WPXUGEKIBRZKHZ-UHFFFAOYSA-N -1 0 342.395 2.715 20 30 EFEDRM C=CC[C@@H](C)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000735066638 1267192115 /nfs/dbraw/zinc/19/21/15/1267192115.db2.gz UJKSVBANDSEUPW-GFCCVEGCSA-N -1 0 332.425 2.906 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cnc1Cl ZINC000735266911 1267247690 /nfs/dbraw/zinc/24/76/90/1267247690.db2.gz CPCQLYBYTAVCPX-UHFFFAOYSA-N -1 0 337.788 2.747 20 30 EFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000735267968 1267248740 /nfs/dbraw/zinc/24/87/40/1267248740.db2.gz RPCAJQBUINQQNU-UHFFFAOYSA-N -1 0 336.800 2.856 20 30 EFEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])[C@@H]3Cc4ccccc4C(=O)O3)nc21 ZINC000735790400 1267425006 /nfs/dbraw/zinc/42/50/06/1267425006.db2.gz XGBPIYSZEFDGMU-HOCLYGCPSA-N -1 0 345.358 2.829 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000073837431 1267488342 /nfs/dbraw/zinc/48/83/42/1267488342.db2.gz VNOCMJNMFGWAKX-UHFFFAOYSA-N -1 0 336.413 2.546 20 30 EFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc2c1CC[C@H](C)C2 ZINC000073838635 1267536988 /nfs/dbraw/zinc/53/69/88/1267536988.db2.gz XVNYONZATFYVBL-VHSXEESVSA-N -1 0 331.459 2.542 20 30 EFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000073839280 1267537831 /nfs/dbraw/zinc/53/78/31/1267537831.db2.gz RZNDZYQFPCURBJ-JTQLQIEISA-N -1 0 341.360 2.755 20 30 EFEDRM COc1ccc(CCNN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000737439651 1269622713 /nfs/dbraw/zinc/62/27/13/1269622713.db2.gz ASLGVLMJWMYNHE-CQSZACIVSA-N -1 0 342.395 2.713 20 30 EFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000741658405 1269638202 /nfs/dbraw/zinc/63/82/02/1269638202.db2.gz XFKKVPWFACDNCP-UHFFFAOYSA-N -1 0 349.383 2.785 20 30 EFEDRM O=S(=O)([N-]c1ccccn1)c1ccc(N=NCC2CCCC2)nc1 ZINC000741847885 1269731694 /nfs/dbraw/zinc/73/16/94/1269731694.db2.gz PBNCCSUXESBMOM-UHFFFAOYSA-N -1 0 345.428 2.865 20 30 EFEDRM C=C(Cl)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742297913 1269979963 /nfs/dbraw/zinc/97/99/63/1269979963.db2.gz BUAGXGZZRUXHAH-UHFFFAOYSA-N -1 0 345.591 2.932 20 30 EFEDRM COc1cc(/C=C2/Oc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000742436137 1270062411 /nfs/dbraw/zinc/06/24/11/1270062411.db2.gz HUWJMRASSMQTRC-CXUHLZMHSA-N -1 0 326.304 2.775 20 30 EFEDRM Cc1cc2nc(C)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)n2n1 ZINC000792107614 1278546511 /nfs/dbraw/zinc/54/65/11/1278546511.db2.gz GKJLFCJQLPLFKT-CYBMUJFWSA-N -1 0 342.362 2.779 20 30 EFEDRM CCCCNN=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000743438072 1270588656 /nfs/dbraw/zinc/58/86/56/1270588656.db2.gz QLCQWEYUIHIEIH-UHFFFAOYSA-N -1 0 329.194 2.636 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2cnn(C)c2)c1 ZINC000744021787 1270833179 /nfs/dbraw/zinc/83/31/79/1270833179.db2.gz FKCLNTWLVYYROM-QGZVFWFLSA-N -1 0 338.411 2.716 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000744007480 1270837394 /nfs/dbraw/zinc/83/73/94/1270837394.db2.gz INDMJOXDFPVYGK-LLVKDONJSA-N -1 0 348.811 2.820 20 30 EFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000744007481 1270838037 /nfs/dbraw/zinc/83/80/37/1270838037.db2.gz INDMJOXDFPVYGK-NSHDSACASA-N -1 0 348.811 2.820 20 30 EFEDRM CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000744138500 1270896332 /nfs/dbraw/zinc/89/63/32/1270896332.db2.gz IGPQSJTVASYLTD-UHFFFAOYSA-N -1 0 342.461 2.572 20 30 EFEDRM CCOC(=O)c1c(C)[nH]c(C=NNc2ccc(C(=O)[O-])cc2)c1C ZINC000744516630 1271075041 /nfs/dbraw/zinc/07/50/41/1271075041.db2.gz RDVWVJBNCBQJHY-UHFFFAOYSA-N -1 0 329.356 2.952 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2sc3ccccc3c2Cl)c1=O ZINC000744729535 1271150153 /nfs/dbraw/zinc/15/01/53/1271150153.db2.gz XUNNOFOJBUKRAM-UHFFFAOYSA-N -1 0 336.829 2.986 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2scnc2Cl)n1 ZINC000744951013 1271248661 /nfs/dbraw/zinc/24/86/61/1271248661.db2.gz BEMIXFJNRVNZLY-LURJTMIESA-N -1 0 341.801 2.920 20 30 EFEDRM COc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(C)c1 ZINC000745340727 1271437959 /nfs/dbraw/zinc/43/79/59/1271437959.db2.gz BQZLQEZMVWIIPH-AWEZNQCLSA-N -1 0 344.392 2.802 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccc(C)o2)n1 ZINC000745663859 1271553521 /nfs/dbraw/zinc/55/35/21/1271553521.db2.gz GEKGQSUHSFATMN-NEPJUHHUSA-N -1 0 332.381 2.876 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccc(C)o2)n1 ZINC000745663864 1271554246 /nfs/dbraw/zinc/55/42/46/1271554246.db2.gz GEKGQSUHSFATMN-VXGBXAGGSA-N -1 0 332.381 2.876 20 30 EFEDRM CS(=O)(=O)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000746340586 1272068697 /nfs/dbraw/zinc/06/86/97/1272068697.db2.gz LSHNRAXHOFIWNW-UHFFFAOYSA-N -1 0 334.353 2.596 20 30 EFEDRM C#CC1CCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])CC1 ZINC000844047960 1278732020 /nfs/dbraw/zinc/73/20/20/1278732020.db2.gz XYQKJXMYDSVWKU-UHFFFAOYSA-N -1 0 327.359 2.511 20 30 EFEDRM C#Cc1cccc(N(CC)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000103145656 1272764502 /nfs/dbraw/zinc/76/45/02/1272764502.db2.gz MNWBKATUJUKZTI-UHFFFAOYSA-N -1 0 339.420 2.516 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103330201 1273103059 /nfs/dbraw/zinc/10/30/59/1273103059.db2.gz ACBXYCFQPPFTSU-SFHVURJKSA-N -1 0 345.358 2.952 20 30 EFEDRM C=CCOc1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000804140441 1274565951 /nfs/dbraw/zinc/56/59/51/1274565951.db2.gz JGRXOXTVBLJLNT-UHFFFAOYSA-N -1 0 335.363 2.830 20 30 EFEDRM CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(C)noc1C ZINC000792561060 1278900429 /nfs/dbraw/zinc/90/04/29/1278900429.db2.gz BGEMREDREFEFMW-ZDUSSCGKSA-N -1 0 346.449 2.774 20 30 EFEDRM C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)c1c[nH]c2ccccc21 ZINC000786472551 1275404027 /nfs/dbraw/zinc/40/40/27/1275404027.db2.gz UICCIJLHLFODFI-TZMCWYRMSA-N -1 0 334.379 2.987 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1c[nH]c2ccccc21 ZINC000786481649 1275405543 /nfs/dbraw/zinc/40/55/43/1275405543.db2.gz XVFTUWJWSWBZOY-GFCCVEGCSA-N -1 0 347.440 2.657 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)c1 ZINC000786466226 1275415298 /nfs/dbraw/zinc/41/52/98/1275415298.db2.gz QRYJPIROKFNTTI-HNNXBMFYSA-N -1 0 343.289 2.674 20 30 EFEDRM CC(C)n1nccc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533536 1275422255 /nfs/dbraw/zinc/42/22/55/1275422255.db2.gz FLMCHDYEPLVOLP-CQSZACIVSA-N -1 0 344.802 2.756 20 30 EFEDRM Cc1ccn2cc(C([O-])=C(C#N)C(=O)NCc3cccc(C)c3)nc2c1 ZINC000786537915 1275423408 /nfs/dbraw/zinc/42/34/08/1275423408.db2.gz BXPGYPGIMRKPPE-MRXNPFEDSA-N -1 0 346.390 2.590 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1cc(C2CC2)[nH]n1 ZINC000786536515 1275423915 /nfs/dbraw/zinc/42/39/15/1275423915.db2.gz OLSPBJFBPRZYEE-ZDUSSCGKSA-N -1 0 342.786 2.579 20 30 EFEDRM Cc1nscc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786539801 1275424295 /nfs/dbraw/zinc/42/42/95/1275424295.db2.gz XLFMORFXMXWICT-LBPRGKRZSA-N -1 0 333.800 2.744 20 30 EFEDRM Cc1ncsc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786539726 1275424957 /nfs/dbraw/zinc/42/49/57/1275424957.db2.gz XCDRJAHKHPYTQR-GFCCVEGCSA-N -1 0 333.800 2.744 20 30 EFEDRM C#CCOc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786545992 1275438070 /nfs/dbraw/zinc/43/80/70/1275438070.db2.gz AQQJBKWSRKIBGL-LJQANCHMSA-N -1 0 346.386 2.646 20 30 EFEDRM CCc1ncc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)s1 ZINC000786545768 1275438311 /nfs/dbraw/zinc/43/83/11/1275438311.db2.gz FPYLYOQWJNEIPU-ZDUSSCGKSA-N -1 0 327.409 2.653 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)c1 ZINC000786548618 1275438793 /nfs/dbraw/zinc/43/87/93/1275438793.db2.gz MQTOMPKFLCCPFE-AWEZNQCLSA-N -1 0 328.318 2.912 20 30 EFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)c1 ZINC000786549414 1275440714 /nfs/dbraw/zinc/44/07/14/1275440714.db2.gz IRGDIIYSQKUEQG-AWEZNQCLSA-N -1 0 339.420 2.968 20 30 EFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cc1 ZINC000786553970 1275441781 /nfs/dbraw/zinc/44/17/81/1275441781.db2.gz JTBLJXRRMBYRET-OAHLLOKOSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)oc1C ZINC000786558098 1275442468 /nfs/dbraw/zinc/44/24/68/1275442468.db2.gz KGEQJHKJCKCKAU-CYBMUJFWSA-N -1 0 332.306 2.814 20 30 EFEDRM Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786562931 1275443706 /nfs/dbraw/zinc/44/37/06/1275443706.db2.gz FOFKQLUPIHCSRD-LLVKDONJSA-N -1 0 334.347 2.974 20 30 EFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(C#N)s1 ZINC000786561055 1275443727 /nfs/dbraw/zinc/44/37/27/1275443727.db2.gz SWWMIPKWBVHCDE-LBPRGKRZSA-N -1 0 345.330 2.537 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnccc2C)n1 ZINC000786923683 1275580610 /nfs/dbraw/zinc/58/06/10/1275580610.db2.gz QJNQZVWHVUEFLM-XGACYXMMSA-N -1 0 341.392 2.588 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cn2ccccc2n1)c1ccccc1 ZINC000787032254 1275620694 /nfs/dbraw/zinc/62/06/94/1275620694.db2.gz QEVUSKNYIPZWLF-JKSUJKDBSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cn2ccccc2n1)c1ccccc1 ZINC000787032246 1275620774 /nfs/dbraw/zinc/62/07/74/1275620774.db2.gz QEVUSKNYIPZWLF-HOTGVXAUSA-N -1 0 346.390 2.924 20 30 EFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cncc(F)c1)c1ccccc1 ZINC000787041323 1275624299 /nfs/dbraw/zinc/62/42/99/1275624299.db2.gz OQRNXTQGLDYKRT-HZPDHXFCSA-N -1 0 325.343 2.811 20 30 EFEDRM CCOc1nc(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)co1 ZINC000787039398 1275624317 /nfs/dbraw/zinc/62/43/17/1275624317.db2.gz RUIAUFVYXIRFMO-KGLIPLIRSA-N -1 0 341.367 2.663 20 30 EFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(OC)nc1)c1ccccc1 ZINC000787046269 1275626878 /nfs/dbraw/zinc/62/68/78/1275626878.db2.gz PVRCCVABQLWIDG-CVEARBPZSA-N -1 0 337.379 2.680 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000746676855 1275753179 /nfs/dbraw/zinc/75/31/79/1275753179.db2.gz KYIKNHUKEUSPSN-UHFFFAOYSA-N -1 0 329.312 2.894 20 30 EFEDRM O=C([O-])CCOc1cccc(C=NNCc2cc(F)ccc2F)c1 ZINC000746679280 1275765676 /nfs/dbraw/zinc/76/56/76/1275765676.db2.gz CJCDSVUIWJSVBB-UHFFFAOYSA-N -1 0 334.322 2.942 20 30 EFEDRM C[C@@H](Oc1cccc(CN=Nc2nncc3ccccc32)c1)C(=O)[O-] ZINC000746678928 1275767545 /nfs/dbraw/zinc/76/75/45/1275767545.db2.gz JFZPTYDKJWCFOL-GFCCVEGCSA-N -1 0 336.351 2.928 20 30 EFEDRM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746679866 1275770565 /nfs/dbraw/zinc/77/05/65/1275770565.db2.gz WLJKLTKDPVSIDI-UHFFFAOYSA-N -1 0 348.428 2.600 20 30 EFEDRM C[C@H](Oc1cccc(CN=Nc2ncnc3sccc32)c1)C(=O)[O-] ZINC000746683515 1275781415 /nfs/dbraw/zinc/78/14/15/1275781415.db2.gz XZDQRJWPOBGQIZ-JTQLQIEISA-N -1 0 342.380 2.989 20 30 EFEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1OC ZINC000746692811 1275816523 /nfs/dbraw/zinc/81/65/23/1275816523.db2.gz AYOSVUTZMSCPEM-PLWJUESGSA-N -1 0 347.411 2.985 20 30 EFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1n[n-]c(=S)s1 ZINC000787845062 1275939176 /nfs/dbraw/zinc/93/91/76/1275939176.db2.gz RUUAITJZXOSFKR-LLVKDONJSA-N -1 0 348.478 2.594 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000788071181 1276027160 /nfs/dbraw/zinc/02/71/60/1276027160.db2.gz OKNTXADVJNYZNN-UHFFFAOYSA-N -1 0 345.445 2.597 20 30 EFEDRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1Cl ZINC000788180332 1276067653 /nfs/dbraw/zinc/06/76/53/1276067653.db2.gz OTRVIAPYYJKQCJ-UHFFFAOYSA-N -1 0 348.811 2.568 20 30 EFEDRM CCCCCCCC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1 ZINC000788167878 1276080446 /nfs/dbraw/zinc/08/04/46/1276080446.db2.gz XODFUKACXKNZTG-UHFFFAOYSA-N -1 0 328.434 2.599 20 30 EFEDRM CC(=O)Nc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000788317713 1276143876 /nfs/dbraw/zinc/14/38/76/1276143876.db2.gz KEUJHLBRJFFTTL-CAOOACKPSA-N -1 0 348.746 2.926 20 30 EFEDRM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1nc(-c2ccncc2)no1 ZINC000788427622 1276163087 /nfs/dbraw/zinc/16/30/87/1276163087.db2.gz PSAUEFPYCGTHME-UHFFFAOYSA-N -1 0 337.339 2.974 20 30 EFEDRM CCCN1C[C@@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000817708123 1276269291 /nfs/dbraw/zinc/26/92/91/1276269291.db2.gz UCTWNQHRMNMUOD-VLWLMIQISA-N -1 0 339.779 2.631 20 30 EFEDRM NC(=O)[C@H]1CC[C@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000817706908 1276269402 /nfs/dbraw/zinc/26/94/02/1276269402.db2.gz GGLDLRDAYJDEQC-MVQJMSSWSA-N -1 0 339.779 2.664 20 30 EFEDRM C=C1CCC(C(=O)NC2(CNC(=O)c3ccccc3O)CCC2)CC1 ZINC001062569892 1276272438 /nfs/dbraw/zinc/27/24/38/1276272438.db2.gz OKMTUIKHKOZGEW-UHFFFAOYSA-N -1 0 342.439 2.907 20 30 EFEDRM Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000817728532 1276280171 /nfs/dbraw/zinc/28/01/71/1276280171.db2.gz OHGKUOHNGAUWIS-UHFFFAOYSA-N -1 0 338.404 2.668 20 30 EFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000817854881 1276348230 /nfs/dbraw/zinc/34/82/30/1276348230.db2.gz BJHJDDSZWIQHEY-MRXNPFEDSA-N -1 0 330.428 2.671 20 30 EFEDRM CCCCCCCCCN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000817896677 1276364672 /nfs/dbraw/zinc/36/46/72/1276364672.db2.gz OSRBAKVPCMZTOE-GOSISDBHSA-N -1 0 340.464 2.519 20 30 EFEDRM CC[C@@](C)(C#N)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000923063167 1276707464 /nfs/dbraw/zinc/70/74/64/1276707464.db2.gz WLNMEAFXQYSLNC-SFHVURJKSA-N -1 0 325.368 2.691 20 30 EFEDRM Cc1cccc(C[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C(=O)[O-])c1 ZINC000923064283 1276712158 /nfs/dbraw/zinc/71/21/58/1276712158.db2.gz GLNPWXAEZJFQEI-JXFKEZNVSA-N -1 0 340.423 2.829 20 30 EFEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C1(C#N)CCCCC1 ZINC000923076545 1276735951 /nfs/dbraw/zinc/73/59/51/1276735951.db2.gz RJPSOGICCVPIAN-UHFFFAOYSA-N -1 0 330.384 2.582 20 30 EFEDRM N#C[C@]1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC12CCCC2 ZINC000923087470 1276781491 /nfs/dbraw/zinc/78/14/91/1276781491.db2.gz YCUQFSOQSPHSPK-UXHICEINSA-N -1 0 338.407 2.715 20 30 EFEDRM CC[C@](C)(C#N)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000923104232 1276814153 /nfs/dbraw/zinc/81/41/53/1276814153.db2.gz UAWZVZIJOQBOET-MRXNPFEDSA-N -1 0 335.429 2.796 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000187085654 1276818066 /nfs/dbraw/zinc/81/80/66/1276818066.db2.gz RRLRGIOUYDJERV-UHFFFAOYSA-N -1 0 326.377 2.680 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000187086694 1276819647 /nfs/dbraw/zinc/81/96/47/1276819647.db2.gz DPJZSFAKDKLHHV-UHFFFAOYSA-N -1 0 331.393 2.816 20 30 EFEDRM COc1cc(C=NN[C@H](C)c2ccncc2)ccc1OCCC(=O)[O-] ZINC000819816557 1276916630 /nfs/dbraw/zinc/91/66/30/1276916630.db2.gz KYJLNUXIDGVDKB-CYBMUJFWSA-N -1 0 343.383 2.628 20 30 EFEDRM Cc1oc(Br)cc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000819948069 1276964255 /nfs/dbraw/zinc/96/42/55/1276964255.db2.gz YBFYQBANXYBUON-NSHDSACASA-N -1 0 339.189 2.732 20 30 EFEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1 ZINC000790053208 1277220845 /nfs/dbraw/zinc/22/08/45/1277220845.db2.gz MIARWMFHCMYVKZ-UHFFFAOYSA-N -1 0 338.820 2.984 20 30 EFEDRM CC[C@@H](Cc1ccccc1C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000820652321 1277281042 /nfs/dbraw/zinc/28/10/42/1277281042.db2.gz MYRMDNJIABNCJU-HNNXBMFYSA-N -1 0 348.468 2.704 20 30 EFEDRM CC[C@@H](C)NN=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000790189423 1277338107 /nfs/dbraw/zinc/33/81/07/1277338107.db2.gz NSQHAIMLSLCKIE-SECBINFHSA-N -1 0 329.194 2.635 20 30 EFEDRM COCCN(C)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000790215384 1277356962 /nfs/dbraw/zinc/35/69/62/1277356962.db2.gz QJFZNSAEAYLTHY-HYXAFXHYSA-N -1 0 346.408 2.820 20 30 EFEDRM O=C([N-]CCCN(CCC(F)(F)F)CC(F)(F)F)C(F)(F)F ZINC000790429901 1277547798 /nfs/dbraw/zinc/54/77/98/1277547798.db2.gz GACUALLQKKDQQK-UHFFFAOYSA-N -1 0 348.209 2.872 20 30 EFEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000790870607 1277814078 /nfs/dbraw/zinc/81/40/78/1277814078.db2.gz ZTUQKDCOEPJTPJ-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000790862047 1277840030 /nfs/dbraw/zinc/84/00/30/1277840030.db2.gz KPHHTGHZYWHELE-UHFFFAOYSA-N -1 0 346.330 2.572 20 30 EFEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000790864213 1277841395 /nfs/dbraw/zinc/84/13/95/1277841395.db2.gz MMMCSUYANCYFIC-UHFFFAOYSA-N -1 0 346.330 2.738 20 30 EFEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc([S-])ccc1F ZINC000798724747 1279063606 /nfs/dbraw/zinc/06/36/06/1279063606.db2.gz VFMIEFLIQBXTEI-QLJPJBMISA-N -1 0 338.404 2.714 20 30 EFEDRM C=C1CCN(S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)CC1 ZINC000871867734 1287330505 /nfs/dbraw/zinc/33/05/05/1287330505.db2.gz RMMFSFHGYAZLQL-UHFFFAOYSA-N -1 0 329.805 2.687 20 30 EFEDRM CCOC(=O)c1nn(C)cc1/C=C\C(=O)c1cc(Cl)ccc1[O-] ZINC000792884533 1279233979 /nfs/dbraw/zinc/23/39/79/1279233979.db2.gz KCRBEJMESOJDKJ-XQRVVYSFSA-N -1 0 334.759 2.852 20 30 EFEDRM COC(=O)c1nn(C)c(C)c1/C=C\C(=O)c1cc(Cl)ccc1[O-] ZINC000792883427 1279234560 /nfs/dbraw/zinc/23/45/60/1279234560.db2.gz DLGRPLQMGLZKSW-ALCCZGGFSA-N -1 0 334.759 2.770 20 30 EFEDRM CCOC(=O)c1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000792891849 1279247058 /nfs/dbraw/zinc/24/70/58/1279247058.db2.gz WVEKNTTZCMQRKP-WAYWQWQTSA-N -1 0 334.759 2.852 20 30 EFEDRM CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(Cl)c1 ZINC000792891847 1279247178 /nfs/dbraw/zinc/24/71/78/1279247178.db2.gz WVEKNTTZCMQRKP-AATRIKPKSA-N -1 0 334.759 2.852 20 30 EFEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000792941753 1279267323 /nfs/dbraw/zinc/26/73/23/1279267323.db2.gz RGLMJEHYJHPVSP-UHFFFAOYSA-N -1 0 325.368 2.923 20 30 EFEDRM CCOC(=O)c1nc(=NCC#Cc2ccccc2)c2sccc2[n-]1 ZINC001170423689 1279306514 /nfs/dbraw/zinc/30/65/14/1279306514.db2.gz DYWVLOPZBNNMET-UHFFFAOYSA-N -1 0 337.404 2.754 20 30 EFEDRM CC[C@@H](NN=Cc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000793070542 1279355095 /nfs/dbraw/zinc/35/50/95/1279355095.db2.gz CGTGMKAUIAEFOW-CQSZACIVSA-N -1 0 334.807 2.680 20 30 EFEDRM CC[C@@H](NN=Cc1cn(C)nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000793080472 1279360602 /nfs/dbraw/zinc/36/06/02/1279360602.db2.gz ARCNSRFAIGISPL-CYBMUJFWSA-N -1 0 326.356 2.620 20 30 EFEDRM CC[C@H](NN=Cc1cn(-c2ccccc2)nc1C(C)(C)C)C(=O)[O-] ZINC000793058592 1279367628 /nfs/dbraw/zinc/36/76/28/1279367628.db2.gz WGCHDSLNTTXHNO-HNNXBMFYSA-N -1 0 328.416 2.957 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC=C3)c1 ZINC000793118337 1279386218 /nfs/dbraw/zinc/38/62/18/1279386218.db2.gz QZHRIJINXSFAKT-UHFFFAOYSA-N -1 0 338.388 2.636 20 30 EFEDRM CC(C)[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000793193672 1279436783 /nfs/dbraw/zinc/43/67/83/1279436783.db2.gz AYUNLRBBJLOYBF-HNNXBMFYSA-N -1 0 334.441 2.566 20 30 EFEDRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194373 1279437842 /nfs/dbraw/zinc/43/78/42/1279437842.db2.gz IYIZWUMQIVBGKH-KGLIPLIRSA-N -1 0 346.452 2.726 20 30 EFEDRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793194374 1279438231 /nfs/dbraw/zinc/43/82/31/1279438231.db2.gz IYIZWUMQIVBGKH-UONOGXRCSA-N -1 0 346.452 2.726 20 30 EFEDRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793197378 1279441264 /nfs/dbraw/zinc/44/12/64/1279441264.db2.gz QXYCOWLGUYGCSD-AWEZNQCLSA-N -1 0 326.462 2.733 20 30 EFEDRM C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC(C)(C)C1 ZINC000793196345 1279441444 /nfs/dbraw/zinc/44/14/44/1279441444.db2.gz IUUKVTLQLKNGCG-OLZOCXBDSA-N -1 0 326.462 2.589 20 30 EFEDRM CC(C)CCN1c2ccccc2C(=N[N-]c2ncncc2F)C1=O ZINC000793225143 1279453284 /nfs/dbraw/zinc/45/32/84/1279453284.db2.gz HXKKONFLLBNHPD-UHFFFAOYSA-N -1 0 327.363 2.825 20 30 EFEDRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793411629 1279604463 /nfs/dbraw/zinc/60/44/63/1279604463.db2.gz LJWLFOWKUZPJHU-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM C[C@H]1CCCc2ncc(C([O-])=C(C#N)C(=O)NC3CCCCC3)n21 ZINC000845441154 1279631607 /nfs/dbraw/zinc/63/16/07/1279631607.db2.gz OXRCXCXJMALOPE-JSGCOSHPSA-N -1 0 328.416 2.552 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2ccccn2)nc1 ZINC000845451046 1279638948 /nfs/dbraw/zinc/63/89/48/1279638948.db2.gz KVBXOVKPWKJDNY-HNNXBMFYSA-N -1 0 334.379 2.525 20 30 EFEDRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000845461529 1279650294 /nfs/dbraw/zinc/65/02/94/1279650294.db2.gz BMTDBGSLTKOAJS-XYPYZODXSA-N -1 0 340.832 2.843 20 30 EFEDRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000793427055 1279671525 /nfs/dbraw/zinc/67/15/25/1279671525.db2.gz FPMWTUIXTHFXAK-UHFFFAOYSA-N -1 0 338.385 2.926 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000871982160 1287385072 /nfs/dbraw/zinc/38/50/72/1287385072.db2.gz CWEAOOMZCBBNBI-UHFFFAOYSA-N -1 0 343.470 2.589 20 30 EFEDRM C#CCCCCNS(=O)(=O)c1sc(Br)cc1C ZINC000845901138 1279924038 /nfs/dbraw/zinc/92/40/38/1279924038.db2.gz ZKEPUNXSHUKQHQ-UHFFFAOYSA-N -1 0 336.276 2.901 20 30 EFEDRM N#Cc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)c(F)c1 ZINC001144680650 1279994503 /nfs/dbraw/zinc/99/45/03/1279994503.db2.gz SHKHKNJGCKLUCI-UHFFFAOYSA-N -1 0 345.399 2.779 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000846149917 1280036849 /nfs/dbraw/zinc/03/68/49/1280036849.db2.gz UJIGSGJELYRWCM-UHFFFAOYSA-N -1 0 340.807 2.937 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000846149751 1280037254 /nfs/dbraw/zinc/03/72/54/1280037254.db2.gz RCJNOTWRBFNWEP-UHFFFAOYSA-N -1 0 329.400 2.860 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000846152549 1280038310 /nfs/dbraw/zinc/03/83/10/1280038310.db2.gz BTIZARPBRKCVJN-NSHDSACASA-N -1 0 334.372 2.535 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000846152726 1280038629 /nfs/dbraw/zinc/03/86/29/1280038629.db2.gz CLTUOQNCRTUGCU-MRVPVSSYSA-N -1 0 348.346 2.744 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000846152472 1280038759 /nfs/dbraw/zinc/03/87/59/1280038759.db2.gz UKGFJNGJCNCDGD-LBPRGKRZSA-N -1 0 348.399 2.577 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000846153674 1280039831 /nfs/dbraw/zinc/03/98/31/1280039831.db2.gz IWULKEHKBCUXNC-LLVKDONJSA-N -1 0 337.807 2.501 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000846156042 1280039848 /nfs/dbraw/zinc/03/98/48/1280039848.db2.gz JXNUAQHDDNLRAN-NXEZZACHSA-N -1 0 346.305 2.577 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000846157576 1280040482 /nfs/dbraw/zinc/04/04/82/1280040482.db2.gz VMYAXJNIFQQFQJ-MRVPVSSYSA-N -1 0 348.733 2.545 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000846156154 1280040498 /nfs/dbraw/zinc/04/04/98/1280040498.db2.gz YVTMNCOUQXZUMH-JTQLQIEISA-N -1 0 330.306 2.742 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(CCC)CCC)cc1 ZINC000846157625 1280040704 /nfs/dbraw/zinc/04/07/04/1280040704.db2.gz VXRFNILDCDGDOR-AWEZNQCLSA-N -1 0 333.432 2.874 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000846155808 1280041190 /nfs/dbraw/zinc/04/11/90/1280041190.db2.gz WUMCKVLTRCNQIZ-VXGBXAGGSA-N -1 0 333.413 2.642 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000846155432 1280041269 /nfs/dbraw/zinc/04/12/69/1280041269.db2.gz QFKMTHYPYLIOFI-JTQLQIEISA-N -1 0 333.413 2.981 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000846157459 1280042211 /nfs/dbraw/zinc/04/22/11/1280042211.db2.gz UWWODQXXFFSMFA-HNNXBMFYSA-N -1 0 345.443 2.936 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000846147858 1280053240 /nfs/dbraw/zinc/05/32/40/1280053240.db2.gz VPIDJCAESNSHSU-UHFFFAOYSA-N -1 0 348.733 2.546 20 30 EFEDRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC000872006986 1287395347 /nfs/dbraw/zinc/39/53/47/1287395347.db2.gz DZNYYRLAIRBBHO-NSHDSACASA-N -1 0 332.372 2.639 20 30 EFEDRM C=CCN(CC(=O)[O-])Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000846263360 1280090636 /nfs/dbraw/zinc/09/06/36/1280090636.db2.gz KBEBKZCHJPDCLO-UHFFFAOYSA-N -1 0 341.289 2.828 20 30 EFEDRM CC1(S(=O)(=O)[N-]C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000806028273 1280177245 /nfs/dbraw/zinc/17/72/45/1280177245.db2.gz BAZPYNTVOMTRMJ-UHFFFAOYSA-N -1 0 339.416 2.699 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000846532483 1280232929 /nfs/dbraw/zinc/23/29/29/1280232929.db2.gz IMLJOAUQPMOXSA-UHFFFAOYSA-N -1 0 331.372 2.652 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000846542769 1280237096 /nfs/dbraw/zinc/23/70/96/1280237096.db2.gz BTAJNRWXRWMRSS-CYBMUJFWSA-N -1 0 332.429 2.599 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000846542687 1280237878 /nfs/dbraw/zinc/23/78/78/1280237878.db2.gz GGTKGRQZOIUDKQ-VIFPVBQESA-N -1 0 327.356 2.973 20 30 EFEDRM C=C[C@@H](C)O[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000846552630 1280246964 /nfs/dbraw/zinc/24/69/64/1280246964.db2.gz MDYZCIAMLIURNE-CQSZACIVSA-N -1 0 337.441 2.786 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846553678 1280247070 /nfs/dbraw/zinc/24/70/70/1280247070.db2.gz FOSVUZDRDXWISS-WDEREUQCSA-N -1 0 334.363 2.501 20 30 EFEDRM C=C(C)CO[N-]C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000846534196 1280249639 /nfs/dbraw/zinc/24/96/39/1280249639.db2.gz WBVTUSGESIBYFV-UHFFFAOYSA-N -1 0 331.821 2.516 20 30 EFEDRM C=C(C)CO[N-]C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000846533284 1280249665 /nfs/dbraw/zinc/24/96/65/1280249665.db2.gz GDPCARZCAFXZLT-UHFFFAOYSA-N -1 0 338.201 2.674 20 30 EFEDRM C=C(C)CO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000846535131 1280250850 /nfs/dbraw/zinc/25/08/50/1280250850.db2.gz QNEQCMPBWOGVOE-LLVKDONJSA-N -1 0 334.363 2.503 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000747205046 1280345252 /nfs/dbraw/zinc/34/52/52/1280345252.db2.gz OOLWYAVGAOOFPO-ZDUSSCGKSA-N -1 0 325.393 2.755 20 30 EFEDRM C#CCSCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805145978 1280457266 /nfs/dbraw/zinc/45/72/66/1280457266.db2.gz WPMMLKMSXIUKKA-UHFFFAOYSA-N -1 0 333.240 2.865 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1cccc(Br)c1C ZINC000846793886 1280501168 /nfs/dbraw/zinc/50/11/68/1280501168.db2.gz UKIWLSHWOVPOKL-UHFFFAOYSA-N -1 0 341.205 2.540 20 30 EFEDRM C/C(I)=C/C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001145012110 1280690785 /nfs/dbraw/zinc/69/07/85/1280690785.db2.gz MFMJEIHFEDGJSO-KXFIGUGUSA-N -1 0 346.099 2.680 20 30 EFEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc2cc(F)ccc2c1C ZINC000805851390 1280810925 /nfs/dbraw/zinc/81/09/25/1280810925.db2.gz IWYNFRBVRJBLFA-ZDUSSCGKSA-N -1 0 348.399 2.824 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1C ZINC000805851764 1280811067 /nfs/dbraw/zinc/81/10/67/1280811067.db2.gz PCWWBAYYFZDSDD-CQSZACIVSA-N -1 0 332.400 2.641 20 30 EFEDRM C[C@@H](Cc1cncc2ccccc21)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000805898535 1280856947 /nfs/dbraw/zinc/85/69/47/1280856947.db2.gz OHDFSMWMJSYXML-GUYCJALGSA-N -1 0 346.390 2.739 20 30 EFEDRM C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1cccc(C#N)c1 ZINC001147889803 1281324822 /nfs/dbraw/zinc/32/48/22/1281324822.db2.gz RKEISRALXRRELR-ZDUSSCGKSA-N -1 0 332.363 2.528 20 30 EFEDRM CC(C)(O)c1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000807949653 1281477319 /nfs/dbraw/zinc/47/73/19/1281477319.db2.gz JUMOJDHJLUEEIO-UHFFFAOYSA-N -1 0 330.335 2.695 20 30 EFEDRM Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1C)O2 ZINC000807990112 1281485505 /nfs/dbraw/zinc/48/55/05/1281485505.db2.gz UIIPAHJCLIBWPA-UHFFFAOYSA-N -1 0 327.296 2.918 20 30 EFEDRM Cc1cc([N+](=O)[O-])ccc1NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12 ZINC000807990272 1281485696 /nfs/dbraw/zinc/48/56/96/1281485696.db2.gz ZLDIZQOHQMAVNT-UHFFFAOYSA-N -1 0 339.311 2.924 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000808068860 1281513947 /nfs/dbraw/zinc/51/39/47/1281513947.db2.gz KVBDJNBRIRIYOU-UHFFFAOYSA-N -1 0 327.705 2.514 20 30 EFEDRM C[C@@H](C#N)c1cccc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001148609948 1281652424 /nfs/dbraw/zinc/65/24/24/1281652424.db2.gz HZNOPCDMMUPUCV-VIFPVBQESA-N -1 0 340.343 2.525 20 30 EFEDRM COc1ccc(C(=O)Nc2cc(C#N)c(F)cc2[O-])c(OC)c1OC ZINC001148841570 1281782536 /nfs/dbraw/zinc/78/25/36/1281782536.db2.gz MNEMOGAPRQHRTB-UHFFFAOYSA-N -1 0 346.314 2.681 20 30 EFEDRM COc1cccc2c(C(=O)OCc3ccc(F)c(C#N)c3)n[nH]c21 ZINC000808675346 1281859566 /nfs/dbraw/zinc/85/95/66/1281859566.db2.gz DGQSLMUFNFNCSK-UHFFFAOYSA-N -1 0 325.299 2.939 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808979855 1281979510 /nfs/dbraw/zinc/97/95/10/1281979510.db2.gz NXNBXXZMMLAIEC-CYBMUJFWSA-N -1 0 347.296 2.739 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2ocnc2C2CC2)c1 ZINC000808980013 1281981018 /nfs/dbraw/zinc/98/10/18/1281981018.db2.gz RDUBIXRCLMMSJN-ZDUSSCGKSA-N -1 0 325.324 2.522 20 30 EFEDRM CC#CCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000809008892 1282001031 /nfs/dbraw/zinc/00/10/31/1282001031.db2.gz KFWOGEDWOQOTAV-UHFFFAOYSA-N -1 0 335.759 2.617 20 30 EFEDRM Cc1c(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)nnn1-c1ccccc1 ZINC000809154416 1282067230 /nfs/dbraw/zinc/06/72/30/1282067230.db2.gz UZZGRDMXYBMAPM-CSKARUKUSA-N -1 0 349.346 2.876 20 30 EFEDRM CC(C)(C)OC(=O)N=c1[nH]c(C=NN[C@@H]2CCCOC2)cs1 ZINC000872365987 1287552555 /nfs/dbraw/zinc/55/25/55/1287552555.db2.gz MHEKWIKHAIKKMB-SNVBAGLBSA-N -1 0 326.422 2.593 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(Nc2cncc(C(=O)[O-])c2)c(C)c1O ZINC001175843071 1287559878 /nfs/dbraw/zinc/55/98/78/1287559878.db2.gz HUPCONISNKESDV-UHFFFAOYSA-N -1 0 341.323 2.586 20 30 EFEDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748001643 1287567439 /nfs/dbraw/zinc/56/74/39/1287567439.db2.gz AJXLJUXOZYBBGH-UHFFFAOYSA-N -1 0 333.388 2.896 20 30 EFEDRM COC(=O)c1c(C)c(C)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000872419217 1287572272 /nfs/dbraw/zinc/57/22/72/1287572272.db2.gz ADIBCOLAQWBXKJ-UHFFFAOYSA-N -1 0 338.429 2.772 20 30 EFEDRM C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cc(Br)ncn1 ZINC000872436364 1287582079 /nfs/dbraw/zinc/58/20/79/1287582079.db2.gz APENBXAWBZBNMZ-YUMQZZPRSA-N -1 0 327.182 2.528 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1cc(Br)ncn1 ZINC000872436865 1287582495 /nfs/dbraw/zinc/58/24/95/1287582495.db2.gz SKAXTHYKROAJNK-UHFFFAOYSA-N -1 0 327.182 2.672 20 30 EFEDRM N#Cc1ccc(F)cc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810065707 1282845042 /nfs/dbraw/zinc/84/50/42/1282845042.db2.gz CGJIRCMNMCZFNE-NSHDSACASA-N -1 0 343.324 2.588 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cccc(C#N)n1 ZINC000810522015 1283309491 /nfs/dbraw/zinc/30/94/91/1283309491.db2.gz VUBWZQRBCQZEAY-AWEZNQCLSA-N -1 0 328.331 2.948 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810636282 1283446550 /nfs/dbraw/zinc/44/65/50/1283446550.db2.gz PCHQLRMWLWQYII-HNNXBMFYSA-N -1 0 335.363 2.535 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000810781704 1283585828 /nfs/dbraw/zinc/58/58/28/1283585828.db2.gz ANRNUIMFFLSEBS-LLVKDONJSA-N -1 0 347.358 2.668 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000810781383 1283586831 /nfs/dbraw/zinc/58/68/31/1283586831.db2.gz QJQRZOUZOPJVIQ-UHFFFAOYSA-N -1 0 345.873 2.682 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000810780955 1283587086 /nfs/dbraw/zinc/58/70/86/1283587086.db2.gz YHFNZAANUWBQKE-UHFFFAOYSA-N -1 0 329.377 2.562 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(C)cc1 ZINC000810783221 1283587644 /nfs/dbraw/zinc/58/76/44/1283587644.db2.gz JETQZONUMQMGLV-UHFFFAOYSA-N -1 0 333.434 2.806 20 30 EFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000810786279 1283587918 /nfs/dbraw/zinc/58/79/18/1283587918.db2.gz BFJUDUZJUPJGKL-VIFPVBQESA-N -1 0 334.224 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000810773470 1283631707 /nfs/dbraw/zinc/63/17/07/1283631707.db2.gz GLCZRKJMIXYNPS-LUAWRHEFSA-N -1 0 345.342 2.578 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000810776772 1283632987 /nfs/dbraw/zinc/63/29/87/1283632987.db2.gz HTDKLFNMFCJIJU-JKSUJKDBSA-N -1 0 343.489 2.611 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000810776231 1283633016 /nfs/dbraw/zinc/63/30/16/1283633016.db2.gz KUDCEPHNBVAKIU-ZDUSSCGKSA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000810777387 1283633443 /nfs/dbraw/zinc/63/34/43/1283633443.db2.gz BGHUVACAKQCWCT-NEPJUHHUSA-N -1 0 346.235 2.566 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000810774860 1283633946 /nfs/dbraw/zinc/63/39/46/1283633946.db2.gz OWCAXQNEJAPGGC-NSHDSACASA-N -1 0 347.358 2.668 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000810773953 1283634529 /nfs/dbraw/zinc/63/45/29/1283634529.db2.gz QAOQYZKBIWNLLL-UHFFFAOYSA-N -1 0 336.457 2.693 20 30 EFEDRM CC#CCS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000810778634 1283635633 /nfs/dbraw/zinc/63/56/33/1283635633.db2.gz GTFBKZXZWFGSMN-UHFFFAOYSA-N -1 0 339.844 2.621 20 30 EFEDRM COc1cc(C)nc(N=NC2CCCc3oc(C(=O)[O-])c(C)c32)n1 ZINC000747633369 1283687718 /nfs/dbraw/zinc/68/77/18/1283687718.db2.gz WXGVDLYLYOGDHZ-UHFFFAOYSA-N -1 0 330.344 2.546 20 30 EFEDRM CCCCCCCCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N ZINC000810830095 1283712300 /nfs/dbraw/zinc/71/23/00/1283712300.db2.gz YJOGMVFTIJYGFY-UHFFFAOYSA-N -1 0 345.465 2.901 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)COc2cccc3ccccc32)CC1 ZINC000810981387 1283887915 /nfs/dbraw/zinc/88/79/15/1283887915.db2.gz BFUMFOPJGIACDU-UHFFFAOYSA-N -1 0 345.420 2.773 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000810983788 1283907260 /nfs/dbraw/zinc/90/72/60/1283907260.db2.gz ZGLBYYGWYULLGM-CYBMUJFWSA-N -1 0 337.466 2.821 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC3CCC3)cc2)CC1 ZINC000810982589 1283907501 /nfs/dbraw/zinc/90/75/01/1283907501.db2.gz UAEKRVWMQHJGCS-UHFFFAOYSA-N -1 0 335.425 2.786 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000810983151 1283909625 /nfs/dbraw/zinc/90/96/25/1283909625.db2.gz JNLQJCWNBDQSOS-UHFFFAOYSA-N -1 0 338.410 2.571 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 ZINC000810984210 1283911496 /nfs/dbraw/zinc/91/14/96/1283911496.db2.gz VVKPZZUIXFKZSL-OAHLLOKOSA-N -1 0 337.441 2.707 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)Oc2cccc(C)c2)CC1 ZINC000810984209 1283911769 /nfs/dbraw/zinc/91/17/69/1283911769.db2.gz VVKPZZUIXFKZSL-HNNXBMFYSA-N -1 0 337.441 2.707 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ncoc2-c2ccccc2)CC1 ZINC000810985670 1283913463 /nfs/dbraw/zinc/91/34/63/1283913463.db2.gz PWXZDSCIGPQMDT-UHFFFAOYSA-N -1 0 332.381 2.510 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000810985495 1283914087 /nfs/dbraw/zinc/91/40/87/1283914087.db2.gz NMGIAOQOPPXDRR-NEPJUHHUSA-N -1 0 341.379 2.623 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2SCCc3ccccc32)CC1 ZINC000810986189 1283914901 /nfs/dbraw/zinc/91/49/01/1283914901.db2.gz QJSZCQZADFMDGB-CQSZACIVSA-N -1 0 337.466 2.572 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3c2cccc3C)CC1 ZINC000810987149 1283915765 /nfs/dbraw/zinc/91/57/65/1283915765.db2.gz ZSXUGEBKOYZEBV-UHFFFAOYSA-N -1 0 332.425 2.574 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000811208427 1284117764 /nfs/dbraw/zinc/11/77/64/1284117764.db2.gz UJPKQZSOJCEQMT-UHFFFAOYSA-N -1 0 347.436 2.594 20 30 EFEDRM C[C@@H](COc1ccccc1)NN=Cc1ccccc1OCC(=O)[O-] ZINC000811668753 1284497329 /nfs/dbraw/zinc/49/73/29/1284497329.db2.gz SUBVYVNESWDDFY-AWEZNQCLSA-N -1 0 328.368 2.541 20 30 EFEDRM COc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)ccc1OCC(=O)[O-] ZINC000811695451 1284540660 /nfs/dbraw/zinc/54/06/60/1284540660.db2.gz GOFQHQNQVSXBDY-UUASQNMZSA-N -1 0 349.342 2.853 20 30 EFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cnc1Cl ZINC000811833414 1284661847 /nfs/dbraw/zinc/66/18/47/1284661847.db2.gz BQIMAMLXLWJHMV-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(F)c(Br)c1 ZINC000812403228 1285098963 /nfs/dbraw/zinc/09/89/63/1285098963.db2.gz PBWDQCMOMSHIGV-UHFFFAOYSA-N -1 0 340.156 2.623 20 30 EFEDRM C#CCO[N-]C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000812786354 1285416918 /nfs/dbraw/zinc/41/69/18/1285416918.db2.gz JUKXPKMAQHVRTD-UHFFFAOYSA-N -1 0 334.169 2.662 20 30 EFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCC1 ZINC000813197340 1285726103 /nfs/dbraw/zinc/72/61/03/1285726103.db2.gz FNRPZQYNEKOIJJ-UHFFFAOYSA-N -1 0 329.368 2.825 20 30 EFEDRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813981385 1286230816 /nfs/dbraw/zinc/23/08/16/1286230816.db2.gz NUGODUHWFSVSHV-HNNXBMFYSA-N -1 0 349.456 2.755 20 30 EFEDRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813981386 1286231376 /nfs/dbraw/zinc/23/13/76/1286231376.db2.gz NUGODUHWFSVSHV-OAHLLOKOSA-N -1 0 349.456 2.755 20 30 EFEDRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813985008 1286234576 /nfs/dbraw/zinc/23/45/76/1286234576.db2.gz JNBSAUIABNUAMM-OAHLLOKOSA-N -1 0 349.456 2.755 20 30 EFEDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000814014595 1286238022 /nfs/dbraw/zinc/23/80/22/1286238022.db2.gz FVNJLFKHPYFHBA-KRWDZBQOSA-N -1 0 342.420 2.964 20 30 EFEDRM CC(C)(C)c1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(C(C)(C)C)c1O ZINC000814231987 1286427996 /nfs/dbraw/zinc/42/79/96/1286427996.db2.gz SKJNQGQZCOLIGR-UHFFFAOYSA-N -1 0 332.404 2.872 20 30 EFEDRM COc1ccc2c(c1OC)OCC2=NNc1ccc(C(=O)[O-])cc1 ZINC000814681036 1286891218 /nfs/dbraw/zinc/89/12/18/1286891218.db2.gz UBDOHURDWUPNFU-UHFFFAOYSA-N -1 0 328.324 2.611 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814685193 1286897445 /nfs/dbraw/zinc/89/74/45/1286897445.db2.gz MPEPYWSIZPLBKA-BDAKNGLRSA-N -1 0 336.304 2.792 20 30 EFEDRM Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(C)nc2ccccc2c1=O ZINC000814700681 1286922559 /nfs/dbraw/zinc/92/25/59/1286922559.db2.gz ATJFDGRRCTYFQR-UHFFFAOYSA-N -1 0 335.363 2.902 20 30 EFEDRM Cn1c(=O)ccc2c1CCCC2=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000814690151 1286940945 /nfs/dbraw/zinc/94/09/45/1286940945.db2.gz WBXBEEXJXZOHDU-UHFFFAOYSA-N -1 0 345.786 2.889 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814717634 1286961351 /nfs/dbraw/zinc/96/13/51/1286961351.db2.gz NZINNPYCHMKFKF-WDEREUQCSA-N -1 0 335.429 2.858 20 30 EFEDRM COc1ccc(NC(=S)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814717633 1286961497 /nfs/dbraw/zinc/96/14/97/1286961497.db2.gz NZINNPYCHMKFKF-QWRGUYRKSA-N -1 0 335.429 2.858 20 30 EFEDRM C[C@H]1C(=NNC(=S)Nc2cccnc2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814720469 1286963286 /nfs/dbraw/zinc/96/32/86/1286963286.db2.gz MKGKENALLLMEEK-JQWIXIFHSA-N -1 0 334.445 2.881 20 30 EFEDRM COc1cccc(NC(=S)NN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000814721244 1286965542 /nfs/dbraw/zinc/96/55/42/1286965542.db2.gz ANGKLXYQHVTRIQ-IINYFYTJSA-N -1 0 335.429 2.858 20 30 EFEDRM CC(=NNC(=S)NC1CC1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814734882 1286978415 /nfs/dbraw/zinc/97/84/15/1286978415.db2.gz WSCGEPOSJDSVTB-UHFFFAOYSA-N -1 0 345.424 2.719 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC1CC[C@@H](C(=O)[O-])C[C@@H]1C ZINC000814770448 1287013189 /nfs/dbraw/zinc/01/31/89/1287013189.db2.gz FPWRURWJUHFEQT-NWDGAFQWSA-N -1 0 342.399 2.705 20 30 EFEDRM CCn1c(=O)c2ccccc2nc1N=NC(C)CC1(C(=O)[O-])CCC1 ZINC000814771159 1287016468 /nfs/dbraw/zinc/01/64/68/1287016468.db2.gz WQJIGODNSAEFAQ-UHFFFAOYSA-N -1 0 342.399 2.849 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494587 1287020870 /nfs/dbraw/zinc/02/08/70/1287020870.db2.gz BZPIIZPUAIGXRC-SNAWJCMRSA-N -1 0 338.367 2.948 20 30 EFEDRM C[C@H]1CC(=NNC(=S)NCc2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000814785975 1287036627 /nfs/dbraw/zinc/03/66/27/1287036627.db2.gz PIZUZHXEFDJJSF-HZMBPMFUSA-N -1 0 337.420 2.667 20 30 EFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC(=S)NCc1ccc(F)cc1 ZINC000814785934 1287038726 /nfs/dbraw/zinc/03/87/26/1287038726.db2.gz OAYHGVTZOIEEJH-ZYHUDNBSSA-N -1 0 337.420 2.667 20 30 EFEDRM O=S(=O)(Cc1ccccc1)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814815897 1287048673 /nfs/dbraw/zinc/04/86/73/1287048673.db2.gz FFHKXWJIAPCLOA-AWEZNQCLSA-N -1 0 341.436 2.813 20 30 EFEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1nnc(-c2ccccc2)n1C ZINC000814806349 1287073132 /nfs/dbraw/zinc/07/31/32/1287073132.db2.gz XNXFZKWKTUYYJF-UHFFFAOYSA-N -1 0 327.388 2.915 20 30 EFEDRM C[C@@H]1C(N=Nc2ccc(-n3cccn3)nn2)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814806841 1287076109 /nfs/dbraw/zinc/07/61/09/1287076109.db2.gz TYBNNEFYUQQXKQ-NEPJUHHUSA-N -1 0 342.403 2.587 20 30 EFEDRM Cn1ncc2c1nc(N=NC1CC[C@@H](Cc3ccccc3)C1)[n-]c2=O ZINC000814848680 1287097075 /nfs/dbraw/zinc/09/70/75/1287097075.db2.gz ZJNXMEDYULRRCB-ZDUSSCGKSA-N -1 0 336.399 2.880 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174676027 1287109836 /nfs/dbraw/zinc/10/98/36/1287109836.db2.gz CCOWVCDIWBOIJZ-UHFFFAOYSA-N -1 0 326.308 2.795 20 30 EFEDRM N#Cc1c(C#N)c(=NOC[C@@H]2CCOC2)[n-]c2c1CCCCCC2 ZINC000795175122 1287114080 /nfs/dbraw/zinc/11/40/80/1287114080.db2.gz VTUAMNFWMAKQPA-CYBMUJFWSA-N -1 0 326.400 2.864 20 30 EFEDRM COC(=O)c1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)nc1 ZINC000814888763 1287129732 /nfs/dbraw/zinc/12/97/32/1287129732.db2.gz OPECTHRYSPNKLN-CMPLNLGQSA-N -1 0 333.388 2.793 20 30 EFEDRM CC(CCc1ccc(OCCC(=O)[O-])cc1)N=Nc1ncc(F)cn1 ZINC000814889137 1287131351 /nfs/dbraw/zinc/13/13/51/1287131351.db2.gz GGBTVEHHTGCECY-UHFFFAOYSA-N -1 0 346.362 2.890 20 30 EFEDRM COc1cccc(N=NC(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)n1 ZINC000814900089 1287141856 /nfs/dbraw/zinc/14/18/56/1287141856.db2.gz CSWLAWXZXYIPJU-LBPRGKRZSA-N -1 0 329.356 2.778 20 30 EFEDRM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814908800 1287147443 /nfs/dbraw/zinc/14/74/43/1287147443.db2.gz TYJTUAYMOZUYST-DZGCQCFKSA-N -1 0 334.416 2.810 20 30 EFEDRM COc1ccc(N=NC(C)c2cccc(O[C@H](C)C(=O)[O-])c2)nc1 ZINC000814909171 1287148460 /nfs/dbraw/zinc/14/84/60/1287148460.db2.gz IWKLBDDZHNKLEU-GFCCVEGCSA-N -1 0 329.356 2.778 20 30 EFEDRM CC(=NNCc1ccc(C#N)cc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814881837 1287149548 /nfs/dbraw/zinc/14/95/48/1287149548.db2.gz YYLWLBGLKRYNKX-CQSZACIVSA-N -1 0 337.379 2.924 20 30 EFEDRM CC(=NN[C@H](CO)c1ccccc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814920052 1287154031 /nfs/dbraw/zinc/15/40/31/1287154031.db2.gz YQQZDNPFBVRSFK-RDTXWAMCSA-N -1 0 342.395 2.586 20 30 EFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NOC[C@H]1CCOC1 ZINC000814912336 1287172680 /nfs/dbraw/zinc/17/26/80/1287172680.db2.gz PUPXZIYBLKSNCU-HOCLYGCPSA-N -1 0 335.400 2.900 20 30 EFEDRM CC(CCCCCCC(=O)[O-])N=Nc1ccc(-n2ccnc2)nn1 ZINC000814915118 1287174246 /nfs/dbraw/zinc/17/42/46/1287174246.db2.gz OUNTWMGLHGKYJN-UHFFFAOYSA-N -1 0 330.392 2.875 20 30 EFEDRM CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)N=Nc1nccn1C ZINC000814918154 1287177109 /nfs/dbraw/zinc/17/71/09/1287177109.db2.gz CVXQLERADUBNCT-CYBMUJFWSA-N -1 0 330.388 2.693 20 30 EFEDRM O=C1Nc2cc(O)ccc2C1=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814947094 1287178510 /nfs/dbraw/zinc/17/85/10/1287178510.db2.gz AZCBJOPPBPKVSI-UHFFFAOYSA-N -1 0 337.364 2.679 20 30 EFEDRM CC(N=Nc1nc(-c2cccnc2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000814948337 1287179130 /nfs/dbraw/zinc/17/91/30/1287179130.db2.gz JEAYJINHGDAMIL-UHFFFAOYSA-N -1 0 340.299 2.582 20 30 EFEDRM O=C([O-])CNN=C(Cc1ccccc1Br)c1ccoc1 ZINC000814956614 1287185149 /nfs/dbraw/zinc/18/51/49/1287185149.db2.gz HLXITYPJGNDQAG-UHFFFAOYSA-N -1 0 337.173 2.663 20 30 EFEDRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCC(=O)[O-] ZINC000814956956 1287186940 /nfs/dbraw/zinc/18/69/40/1287186940.db2.gz QLNMVBQVLMAUQK-UHFFFAOYSA-N -1 0 341.198 2.555 20 30 EFEDRM C[C@@H]1CSc2ccc(Br)cc2C1=NNCC(=O)[O-] ZINC000814960850 1287188643 /nfs/dbraw/zinc/18/86/43/1287188643.db2.gz WVVFPAXZQRPNEG-SSDOTTSWSA-N -1 0 329.219 2.569 20 30 EFEDRM O=C([N-]OCC1CC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000815790736 1287838242 /nfs/dbraw/zinc/83/82/42/1287838242.db2.gz BDTYGTZWDUTQTL-UHFFFAOYSA-N -1 0 340.404 2.544 20 30 EFEDRM O=C([N-]OCCC1CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000815792107 1287839099 /nfs/dbraw/zinc/83/90/99/1287839099.db2.gz OCYRLBSKBJOWHG-UHFFFAOYSA-N -1 0 348.402 2.873 20 30 EFEDRM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000815906481 1287875070 /nfs/dbraw/zinc/87/50/70/1287875070.db2.gz ARTITHVFVHNGIM-MRXNPFEDSA-N -1 0 342.782 2.987 20 30 EFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2ncoc2C2CC2)c1 ZINC000815907343 1287877346 /nfs/dbraw/zinc/87/73/46/1287877346.db2.gz YPNLTKXYGCICTK-ZDUSSCGKSA-N -1 0 325.324 2.522 20 30 EFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)o1 ZINC000815909245 1287879185 /nfs/dbraw/zinc/87/91/85/1287879185.db2.gz VRDMUUDNXNQDBY-LLVKDONJSA-N -1 0 327.340 2.515 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(Br)c2ccccc2c1 ZINC000815911612 1287880293 /nfs/dbraw/zinc/88/02/93/1287880293.db2.gz HNCRXDBUVYQCJG-GFCCVEGCSA-N -1 0 331.169 2.671 20 30 EFEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)ccn1C(C)C ZINC000815930643 1287895698 /nfs/dbraw/zinc/89/56/98/1287895698.db2.gz VRCGMIQBSHLUBO-UHFFFAOYSA-N -1 0 345.424 2.509 20 30 EFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ncoc1C1CC1 ZINC000816037438 1287949444 /nfs/dbraw/zinc/94/94/44/1287949444.db2.gz NRCBUGFAZFTBOS-CYBMUJFWSA-N -1 0 343.770 2.844 20 30 EFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000816019768 1287955126 /nfs/dbraw/zinc/95/51/26/1287955126.db2.gz WMBGUZYLILBDCT-UHFFFAOYSA-N -1 0 326.462 2.733 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)CCCCC1 ZINC000816019254 1287955817 /nfs/dbraw/zinc/95/58/17/1287955817.db2.gz FCWZYDZGNIBGJA-UHFFFAOYSA-N -1 0 328.409 2.704 20 30 EFEDRM N#Cc1ccc(F)c(F)c1NC(=O)CSc1n[n-]c(=S)s1 ZINC001177343449 1288401393 /nfs/dbraw/zinc/40/13/93/1288401393.db2.gz CXKZHUNVVQLULZ-UHFFFAOYSA-N -1 0 344.393 2.707 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccco2)c([O-])cc1F ZINC001177622440 1288494238 /nfs/dbraw/zinc/49/42/38/1288494238.db2.gz NFHNEUDUMRKMIU-OAHLLOKOSA-N -1 0 329.331 2.599 20 30 EFEDRM C#CCCCCCC(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000821549970 1288741164 /nfs/dbraw/zinc/74/11/64/1288741164.db2.gz OHSMFSMFXCTLBJ-UHFFFAOYSA-N -1 0 341.860 2.912 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000123010174 1305219704 /nfs/dbraw/zinc/21/97/04/1305219704.db2.gz BWMQPNWRQLKPPO-LLVKDONJSA-N -1 0 337.257 2.524 20 30 EFEDRM COc1ccc([C@@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123014286 1305220779 /nfs/dbraw/zinc/22/07/79/1305220779.db2.gz HIHIYZCRYYSUQW-SWLSCSKDSA-N -1 0 325.368 2.514 20 30 EFEDRM COc1ccc([C@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000123014957 1305221608 /nfs/dbraw/zinc/22/16/08/1305221608.db2.gz HIHIYZCRYYSUQW-DOMZBBRYSA-N -1 0 325.368 2.514 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001179896194 1289293045 /nfs/dbraw/zinc/29/30/45/1289293045.db2.gz XWLQWASVUOGFBM-GFCCVEGCSA-N -1 0 336.347 2.643 20 30 EFEDRM N#Cc1cc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c([O-])cc1F ZINC001180184229 1289431141 /nfs/dbraw/zinc/43/11/41/1289431141.db2.gz MUKSAVVJUFXCSO-OAHLLOKOSA-N -1 0 326.283 2.643 20 30 EFEDRM CO[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCC[C@@H]3C(=O)[O-])sc2C1 ZINC000872869936 1289435948 /nfs/dbraw/zinc/43/59/48/1289435948.db2.gz WTPJCVXSZXGYHR-JLLWLGSASA-N -1 0 348.424 2.563 20 30 EFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000805845881 1289495707 /nfs/dbraw/zinc/49/57/07/1289495707.db2.gz RTRSUJYDYXCKMX-UHFFFAOYSA-N -1 0 348.346 2.984 20 30 EFEDRM NC(=NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc2cc(O)ccc2c1 ZINC001180439413 1289524178 /nfs/dbraw/zinc/52/41/78/1289524178.db2.gz DUWKSDQRLLENIF-UHFFFAOYSA-N -1 0 340.379 2.812 20 30 EFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000824112868 1289545359 /nfs/dbraw/zinc/54/53/59/1289545359.db2.gz BHHRKJUUNXCQPY-JTQLQIEISA-N -1 0 341.333 2.535 20 30 EFEDRM CC[C@@H](Cc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000873520211 1289892284 /nfs/dbraw/zinc/89/22/84/1289892284.db2.gz NIDGDVUHHWTXJS-INIZCTEOSA-N -1 0 348.468 2.704 20 30 EFEDRM COc1ccc(C#CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001182048832 1290063725 /nfs/dbraw/zinc/06/37/25/1290063725.db2.gz WBHFOUIWZARQEK-UHFFFAOYSA-N -1 0 333.347 2.577 20 30 EFEDRM CCCS(=O)(=O)[N-]C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000091444002 1290078580 /nfs/dbraw/zinc/07/85/80/1290078580.db2.gz LHYKAROJDDCTRV-UHFFFAOYSA-N -1 0 326.418 2.838 20 30 EFEDRM N#Cc1ccc([O-])c(CN2CCN(c3ccccc3Cl)C(=O)C2)c1 ZINC001232681555 1312760793 /nfs/dbraw/zinc/76/07/93/1312760793.db2.gz QROCDHFEBQISCS-UHFFFAOYSA-N -1 0 341.798 2.766 20 30 EFEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(-n2cccn2)cc1 ZINC000873988173 1290155137 /nfs/dbraw/zinc/15/51/37/1290155137.db2.gz RCHNUUROFKOKSA-UHFFFAOYSA-N -1 0 338.318 2.654 20 30 EFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(-n2cccn2)cc1 ZINC000874101419 1290204612 /nfs/dbraw/zinc/20/46/12/1290204612.db2.gz YAZZGPDPXCZJJM-UHFFFAOYSA-N -1 0 347.403 2.753 20 30 EFEDRM Cc1cc(CC(=O)N=C(NC#N)c2ccncc2)cc(C(F)(F)F)c1 ZINC001182673420 1290237122 /nfs/dbraw/zinc/23/71/22/1290237122.db2.gz OTNJGUFSZUOIBY-UHFFFAOYSA-N -1 0 346.312 2.995 20 30 EFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F ZINC000091696376 1290333556 /nfs/dbraw/zinc/33/35/56/1290333556.db2.gz SRPNXUVVAHWXQG-UHFFFAOYSA-N -1 0 336.360 2.549 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cn1 ZINC001185196056 1290625618 /nfs/dbraw/zinc/62/56/18/1290625618.db2.gz ZVDDXBBBTCIFEV-UHFFFAOYSA-N -1 0 325.349 2.519 20 30 EFEDRM CC1(C(=O)Nc2cc(C#N)c(F)cc2[O-])CCC2(CC1)OCCO2 ZINC001185696207 1290739228 /nfs/dbraw/zinc/73/92/28/1290739228.db2.gz FGVLLBCCKXXCFG-UHFFFAOYSA-N -1 0 334.347 2.665 20 30 EFEDRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc3n[nH]cc3c1)CCC2 ZINC001185946469 1290788754 /nfs/dbraw/zinc/78/87/54/1290788754.db2.gz RAQYCJWSKPSJPA-UHFFFAOYSA-N -1 0 344.421 2.786 20 30 EFEDRM N#Cc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001186001368 1290807535 /nfs/dbraw/zinc/80/75/35/1290807535.db2.gz UJUIOJBPVGVEMU-UHFFFAOYSA-N -1 0 334.307 2.514 20 30 EFEDRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000092692811 1290819669 /nfs/dbraw/zinc/81/96/69/1290819669.db2.gz XLRXMTFGMZELAY-UHFFFAOYSA-N -1 0 343.408 2.829 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1F ZINC001185999269 1290825204 /nfs/dbraw/zinc/82/52/04/1290825204.db2.gz HWBXFQXJHXGNOB-UHFFFAOYSA-N -1 0 330.344 2.683 20 30 EFEDRM COc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000093099864 1290995415 /nfs/dbraw/zinc/99/54/15/1290995415.db2.gz MBEFHKVSOPQZGB-UHFFFAOYSA-N -1 0 342.376 2.937 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1F ZINC000126179321 1291035908 /nfs/dbraw/zinc/03/59/08/1291035908.db2.gz WIJPMRBVDZWOPV-UHFFFAOYSA-N -1 0 335.316 2.715 20 30 EFEDRM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccco2)c1 ZINC001186863320 1291041069 /nfs/dbraw/zinc/04/10/69/1291041069.db2.gz LTKSDRBLIZIUEF-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM N#Cc1cc(NC(=O)[C@H](O)CCCc2ccccc2)c([O-])cc1F ZINC001187054943 1291086136 /nfs/dbraw/zinc/08/61/36/1291086136.db2.gz XQAHDPFGSJVFTK-MRXNPFEDSA-N -1 0 328.343 2.725 20 30 EFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1nccs1 ZINC001187858327 1291250501 /nfs/dbraw/zinc/25/05/01/1291250501.db2.gz PGFVLBKCCLQGCQ-UHFFFAOYSA-N -1 0 337.502 2.568 20 30 EFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187890991 1291265999 /nfs/dbraw/zinc/26/59/99/1291265999.db2.gz FDQCNUDPYJDKDE-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-]c1cnc(C(=O)OCC)cn1 ZINC001187993302 1291280678 /nfs/dbraw/zinc/28/06/78/1291280678.db2.gz SGQKEPYLRSWKTB-UHFFFAOYSA-N -1 0 343.449 2.756 20 30 EFEDRM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OCC)C(F)(F)F ZINC001188020803 1291297171 /nfs/dbraw/zinc/29/71/71/1291297171.db2.gz HIRSUHXOUSQCLA-LLVKDONJSA-N -1 0 347.399 2.760 20 30 EFEDRM N#Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)C1CCC1 ZINC001188139801 1291316191 /nfs/dbraw/zinc/31/61/91/1291316191.db2.gz YRQNQJBJWPSRRB-UHFFFAOYSA-N -1 0 333.182 2.754 20 30 EFEDRM C=CCOCc1ncn2c1CN(Cc1ccc(F)c(F)c1[O-])CCC2 ZINC001233076439 1312849867 /nfs/dbraw/zinc/84/98/67/1312849867.db2.gz OEQPUDNOBKHUHD-UHFFFAOYSA-N -1 0 349.381 2.975 20 30 EFEDRM N#Cc1cnc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)s1 ZINC000775172079 1291399287 /nfs/dbraw/zinc/39/92/87/1291399287.db2.gz UYBVBHGEIJZONG-UHFFFAOYSA-N -1 0 333.394 2.580 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccoc2)ccc1Br ZINC001188610155 1291421986 /nfs/dbraw/zinc/42/19/86/1291421986.db2.gz HRYXMXIJCGFVFE-UHFFFAOYSA-N -1 0 327.159 2.715 20 30 EFEDRM C=C[C@@H]1C[C@]1(NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(=O)OCC ZINC001188587768 1291429457 /nfs/dbraw/zinc/42/94/57/1291429457.db2.gz AQBFGXSVKRFWQG-MEBBXXQBSA-N -1 0 343.301 2.649 20 30 EFEDRM CC1(CC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCCC1 ZINC000126828901 1291434180 /nfs/dbraw/zinc/43/41/80/1291434180.db2.gz UCWQYDFNMLSGQL-UHFFFAOYSA-N -1 0 334.441 2.865 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)Nc2cc(F)cc3c2OCOC3)c1 ZINC001188874268 1291485712 /nfs/dbraw/zinc/48/57/12/1291485712.db2.gz QVQFDKZZZMDFOY-UHFFFAOYSA-N -1 0 329.287 2.913 20 30 EFEDRM O=C(Nc1ccccc1N1CCCCCC1)N[C@@H]1CCCN(O)C1=O ZINC000878120782 1291505741 /nfs/dbraw/zinc/50/57/41/1291505741.db2.gz BLGJWESFHMTNCH-OAHLLOKOSA-N -1 0 346.431 2.569 20 30 EFEDRM COc1cc(O)c(CN2CCC(C#N)CC2)cc1Br ZINC001233135591 1312862859 /nfs/dbraw/zinc/86/28/59/1312862859.db2.gz VVBFLFBRGFXHEX-UHFFFAOYSA-N -1 0 325.206 2.899 20 30 EFEDRM COc1ccc(C#N)c(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001189066919 1291567356 /nfs/dbraw/zinc/56/73/56/1291567356.db2.gz LOIIPWWASBBAOS-UHFFFAOYSA-N -1 0 348.156 2.682 20 30 EFEDRM Cc1ccc(N2CCNC2=O)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000775234370 1291659987 /nfs/dbraw/zinc/65/99/87/1291659987.db2.gz QMCIRWGEAZJPDW-UHFFFAOYSA-N -1 0 340.339 2.889 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189275228 1291663292 /nfs/dbraw/zinc/66/32/92/1291663292.db2.gz SROSHHKBVNGFKV-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM N#Cc1ncc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189277403 1291664911 /nfs/dbraw/zinc/66/49/11/1291664911.db2.gz AZWFHSINLAAVBI-UHFFFAOYSA-N -1 0 343.742 2.827 20 30 EFEDRM CCOC(=O)C1(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000775240465 1291686720 /nfs/dbraw/zinc/68/67/20/1291686720.db2.gz NPZGWZFJNYVJNW-SNVBAGLBSA-N -1 0 332.356 2.955 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)o1 ZINC001189354577 1291700232 /nfs/dbraw/zinc/70/02/32/1291700232.db2.gz IBLYKITYPHZTEX-UHFFFAOYSA-N -1 0 331.328 2.948 20 30 EFEDRM O=S(=O)(Cc1cccc(F)c1F)[N-]CC(F)(F)C(F)(F)F ZINC001189468762 1291724960 /nfs/dbraw/zinc/72/49/60/1291724960.db2.gz SENXQLXIUZROTM-UHFFFAOYSA-N -1 0 339.232 2.582 20 30 EFEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1 ZINC001189605986 1291780322 /nfs/dbraw/zinc/78/03/22/1291780322.db2.gz ONTAZBIYJQWTBI-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2C#N)sc1C ZINC000775289925 1291832135 /nfs/dbraw/zinc/83/21/35/1291832135.db2.gz BNVFBZCOMYCZSI-FPLPWBNLSA-N -1 0 346.433 2.755 20 30 EFEDRM O=S(=O)(Cc1ccc(F)cc1F)[N-]CC(F)(F)C(F)(F)F ZINC001189834970 1291889858 /nfs/dbraw/zinc/88/98/58/1291889858.db2.gz RQMAWSNPFOWHRI-UHFFFAOYSA-N -1 0 339.232 2.582 20 30 EFEDRM N#Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)CCCF ZINC001189921288 1291920674 /nfs/dbraw/zinc/92/06/74/1291920674.db2.gz LAIFYCFXHXYRNF-UHFFFAOYSA-N -1 0 339.161 2.561 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2Cc3ccc(F)cc32)n1 ZINC000796069420 1291922685 /nfs/dbraw/zinc/92/26/85/1291922685.db2.gz WRWMFYDDGRXXAK-ZIAGYGMSSA-N -1 0 344.367 2.650 20 30 EFEDRM COc1cc([O-])c(C(=O)Nc2c(C#N)ccc(F)c2F)c(OC)c1 ZINC001190144887 1292003902 /nfs/dbraw/zinc/00/39/02/1292003902.db2.gz HOBLYRCGASZVJW-UHFFFAOYSA-N -1 0 334.278 2.812 20 30 EFEDRM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ncc(F)cc2F)c1 ZINC001190181282 1292047246 /nfs/dbraw/zinc/04/72/46/1292047246.db2.gz HMOYHTOWWBJLSD-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127678293 1292077553 /nfs/dbraw/zinc/07/75/53/1292077553.db2.gz PXFMTMDZXRVQBL-NEPJUHHUSA-N -1 0 335.429 2.623 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC001190295817 1292112557 /nfs/dbraw/zinc/11/25/57/1292112557.db2.gz GSFNGYXSRWDQAN-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190347423 1292128628 /nfs/dbraw/zinc/12/86/28/1292128628.db2.gz CWJVLKZCLVUSDJ-GFCCVEGCSA-N -1 0 326.299 2.647 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1C ZINC001190357659 1292134582 /nfs/dbraw/zinc/13/45/82/1292134582.db2.gz BWCFYWABJAUPIP-UHFFFAOYSA-N -1 0 330.287 2.986 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C#N ZINC001190388206 1292142466 /nfs/dbraw/zinc/14/24/66/1292142466.db2.gz QZZNHTQZETXZKM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127833550 1292175385 /nfs/dbraw/zinc/17/53/85/1292175385.db2.gz FQNTZORZZKOLFN-OLZOCXBDSA-N -1 0 341.392 2.956 20 30 EFEDRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190615780 1292226146 /nfs/dbraw/zinc/22/61/46/1292226146.db2.gz BUZRIXFDBHMFMK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(Cl)nc2Cl)c1 ZINC001190616218 1292227050 /nfs/dbraw/zinc/22/70/50/1292227050.db2.gz LKJQZNUFSVFVKS-UHFFFAOYSA-N -1 0 347.158 2.595 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)c1 ZINC001190615870 1292227195 /nfs/dbraw/zinc/22/71/95/1292227195.db2.gz DPPQLUIVGGKHTE-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2csc3nccnc23)c1 ZINC001190617865 1292227745 /nfs/dbraw/zinc/22/77/45/1292227745.db2.gz TYBQHMBQXURKSI-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1nc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)nc1C ZINC001190617539 1292228622 /nfs/dbraw/zinc/22/86/22/1292228622.db2.gz LXYFJDVFXIOZLL-UHFFFAOYSA-N -1 0 340.767 2.558 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)c1 ZINC001190617905 1292228693 /nfs/dbraw/zinc/22/86/93/1292228693.db2.gz VGHRTDOUGMLDSG-UHFFFAOYSA-N -1 0 344.327 2.548 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1C#N ZINC001190617493 1292229069 /nfs/dbraw/zinc/22/90/69/1292229069.db2.gz KUWUQNLMPWAKOP-UHFFFAOYSA-N -1 0 348.359 2.655 20 30 EFEDRM CC(C)(C)c1nsc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190611377 1292248043 /nfs/dbraw/zinc/24/80/43/1292248043.db2.gz NLKKPDJHLJXTHL-UHFFFAOYSA-N -1 0 340.405 2.647 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C2CCC2)C(F)(F)F)c1 ZINC001190664291 1292251871 /nfs/dbraw/zinc/25/18/71/1292251871.db2.gz DYBAPZGUXDVZDT-LBPRGKRZSA-N -1 0 336.310 2.707 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC001190648218 1292264418 /nfs/dbraw/zinc/26/44/18/1292264418.db2.gz WVRXNAMMDGOIDR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001190651039 1292264589 /nfs/dbraw/zinc/26/45/89/1292264589.db2.gz USITUHYAGLPRRS-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2CO)c1 ZINC001190650598 1292264618 /nfs/dbraw/zinc/26/46/18/1292264618.db2.gz HZDYIGXGLVBKHY-UHFFFAOYSA-N -1 0 340.763 2.644 20 30 EFEDRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650249 1292264844 /nfs/dbraw/zinc/26/48/44/1292264844.db2.gz BKZYUPFPPLXROF-UHFFFAOYSA-N -1 0 336.319 2.840 20 30 EFEDRM Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190651253 1292265283 /nfs/dbraw/zinc/26/52/83/1292265283.db2.gz YIXNIOFIAUCPTL-UHFFFAOYSA-N -1 0 340.339 2.550 20 30 EFEDRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650990 1292265579 /nfs/dbraw/zinc/26/55/79/1292265579.db2.gz RGIGYVWDAKXOLG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)c1 ZINC001190655804 1292269619 /nfs/dbraw/zinc/26/96/19/1292269619.db2.gz PNUKECLRIHEWTN-UHFFFAOYSA-N -1 0 337.282 2.648 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1F ZINC001190657666 1292270647 /nfs/dbraw/zinc/27/06/47/1292270647.db2.gz FZOXAHHPFIJESG-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM CCN(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190657833 1292270655 /nfs/dbraw/zinc/27/06/55/1292270655.db2.gz LLFIPURLOYRHPY-UHFFFAOYSA-N -1 0 333.388 2.954 20 30 EFEDRM CCOc1ccc(C(=O)N(O)C(=N)c2ccccc2N)c(F)c1F ZINC001190710146 1292275612 /nfs/dbraw/zinc/27/56/12/1292275612.db2.gz GBYYJMWGAKWEFX-UHFFFAOYSA-N -1 0 335.310 2.803 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccc(C)cc2)CC1 ZINC001190765955 1292305362 /nfs/dbraw/zinc/30/53/62/1292305362.db2.gz JPYNVZPHAWNIPN-UHFFFAOYSA-N -1 0 342.424 2.903 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)OCC)CC1 ZINC001190806625 1292325067 /nfs/dbraw/zinc/32/50/67/1292325067.db2.gz KYDKGBYBEZWBGK-UHFFFAOYSA-N -1 0 327.377 2.853 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(F)cc(F)c2C(=O)OC)CC1 ZINC001190813198 1292345523 /nfs/dbraw/zinc/34/55/23/1292345523.db2.gz ALHNQQKILYIMAG-UHFFFAOYSA-N -1 0 331.340 2.602 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3nccn32)c1 ZINC001190932345 1292374341 /nfs/dbraw/zinc/37/43/41/1292374341.db2.gz IRPPFFNCVCFWLO-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnc1C#N ZINC001190939265 1292377612 /nfs/dbraw/zinc/37/76/12/1292377612.db2.gz XSBFDRJFNOODMO-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937748 1292377924 /nfs/dbraw/zinc/37/79/24/1292377924.db2.gz SXKZYLQXKARQJD-UHFFFAOYSA-N -1 0 346.799 2.969 20 30 EFEDRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC001190939051 1292378559 /nfs/dbraw/zinc/37/85/59/1292378559.db2.gz MLOPNFCFZCKNSJ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC001190942339 1292380357 /nfs/dbraw/zinc/38/03/57/1292380357.db2.gz DNFHNBAWEYGOQD-UHFFFAOYSA-N -1 0 335.772 2.610 20 30 EFEDRM CCOC(=O)c1cnc(NC(=O)c2cccc(C(C)(C)C#N)c2)[n-]1 ZINC001190913481 1292393572 /nfs/dbraw/zinc/39/35/72/1292393572.db2.gz YQBFQFVCVMRRMZ-UHFFFAOYSA-N -1 0 326.356 2.640 20 30 EFEDRM CCOC(=O)c1nc(C(=O)[N-]c2c(C#N)ccc(F)c2F)cs1 ZINC001190958382 1292398312 /nfs/dbraw/zinc/39/83/12/1292398312.db2.gz KEUJQDALXYSLKY-UHFFFAOYSA-N -1 0 337.307 2.722 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C#N ZINC001190972553 1292407066 /nfs/dbraw/zinc/40/70/66/1292407066.db2.gz CLHLAKYCUDIVSJ-UHFFFAOYSA-N -1 0 347.783 2.893 20 30 EFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ncncc3c2)c1 ZINC001190973196 1292407498 /nfs/dbraw/zinc/40/74/98/1292407498.db2.gz XEVZLUADPJHCMB-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)c1Cl ZINC001191722675 1292623732 /nfs/dbraw/zinc/62/37/32/1292623732.db2.gz NVWLRMAHTMWFKG-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM CC(C)C[C@@](C)(C#N)NC(=O)c1nc(Br)ccc1[O-] ZINC001191749211 1292648440 /nfs/dbraw/zinc/64/84/40/1292648440.db2.gz NUHOWTQPAPLDFO-ZDUSSCGKSA-N -1 0 326.194 2.608 20 30 EFEDRM C[C@H](NC(=O)c1nc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC001191747485 1292648875 /nfs/dbraw/zinc/64/88/75/1292648875.db2.gz ARIDWGALICNGTM-VIFPVBQESA-N -1 0 346.184 2.912 20 30 EFEDRM Cc1noc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1C#N ZINC001191855108 1292674199 /nfs/dbraw/zinc/67/41/99/1292674199.db2.gz FKDVADPFWFYSLQ-UHFFFAOYSA-N -1 0 329.740 2.589 20 30 EFEDRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001191827657 1292682876 /nfs/dbraw/zinc/68/28/76/1292682876.db2.gz DOHGPSIQPZLRLH-UHFFFAOYSA-N -1 0 332.381 2.772 20 30 EFEDRM COc1ccc2cc(S(=O)(=O)[N-]c3oncc3C#N)ccc2c1 ZINC001191940325 1292721116 /nfs/dbraw/zinc/72/11/16/1292721116.db2.gz MQLHZXGBJQWBBI-UHFFFAOYSA-N -1 0 329.337 2.509 20 30 EFEDRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3C#N)c2)o1 ZINC001192264916 1292849680 /nfs/dbraw/zinc/84/96/80/1292849680.db2.gz SDZBWPXWVYRJQP-UHFFFAOYSA-N -1 0 340.364 2.718 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]c2c(F)c(F)ccc2C#N)cnc1Cl ZINC001192576251 1292925607 /nfs/dbraw/zinc/92/56/07/1292925607.db2.gz HEGJGBRNQADEKS-UHFFFAOYSA-N -1 0 343.742 2.994 20 30 EFEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192701884 1292998130 /nfs/dbraw/zinc/99/81/30/1292998130.db2.gz ZWDNEUBNWGIDIK-UHFFFAOYSA-N -1 0 343.445 2.741 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)CC(F)(F)F ZINC001253188829 1293016152 /nfs/dbraw/zinc/01/61/52/1293016152.db2.gz JBDNAXYEJQIIIE-UHFFFAOYSA-N -1 0 343.124 2.625 20 30 EFEDRM COC(=O)c1scc(C#N)c1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192797281 1293049976 /nfs/dbraw/zinc/04/99/76/1293049976.db2.gz NXXOGTUIEWEICN-UHFFFAOYSA-N -1 0 338.291 2.642 20 30 EFEDRM COC(=O)c1cc(C#N)cc(NC(=O)c2ccc(F)c(F)c2[O-])c1 ZINC001192810851 1293057065 /nfs/dbraw/zinc/05/70/65/1293057065.db2.gz ODEWNQJHYKMFLP-UHFFFAOYSA-N -1 0 332.262 2.581 20 30 EFEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192856435 1293082871 /nfs/dbraw/zinc/08/28/71/1293082871.db2.gz WHTUCFDMZILHHO-UHFFFAOYSA-N -1 0 338.820 2.964 20 30 EFEDRM N#Cc1cc(F)c(NS(=O)(=O)c2cnccc2Cl)cc1F ZINC001192889977 1293089848 /nfs/dbraw/zinc/08/98/48/1293089848.db2.gz IIXVHDYTIJNRMH-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cnccc2Cl)cc1F ZINC001192900860 1293094644 /nfs/dbraw/zinc/09/46/44/1293094644.db2.gz UBZGGILELKIKGE-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1c(F)cc(OCc2ccccc2)cc1[N-]S(=O)(=O)CC#N ZINC001192982227 1293115975 /nfs/dbraw/zinc/11/59/75/1293115975.db2.gz KOGIVLDURLNISX-UHFFFAOYSA-N -1 0 334.372 2.978 20 30 EFEDRM CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)CC#N ZINC001192982816 1293116176 /nfs/dbraw/zinc/11/61/76/1293116176.db2.gz ZACSDIOTEYRODN-UHFFFAOYSA-N -1 0 345.808 2.952 20 30 EFEDRM N#CCS(=O)(=O)[N-][C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001192994042 1293121387 /nfs/dbraw/zinc/12/13/87/1293121387.db2.gz KTBQHYNCWZURQC-SECBINFHSA-N -1 0 346.252 2.752 20 30 EFEDRM N#CCS(=O)(=O)[N-]c1c(C(F)(F)F)cccc1C(F)(F)F ZINC001192978839 1293130181 /nfs/dbraw/zinc/13/01/81/1293130181.db2.gz JDJQRHYXHCTWLX-UHFFFAOYSA-N -1 0 332.225 2.989 20 30 EFEDRM CC(C)(C)OC(=O)n1ccc2ccc([N-]S(=O)(=O)CC#N)cc21 ZINC001192980586 1293131331 /nfs/dbraw/zinc/13/13/31/1293131331.db2.gz NIIDCXUDEIHNJV-UHFFFAOYSA-N -1 0 335.385 2.690 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(Cl)c(C)cc1C#N ZINC001193064410 1293147254 /nfs/dbraw/zinc/14/72/54/1293147254.db2.gz NVYZLNKTKUOEFB-UHFFFAOYSA-N -1 0 344.820 2.604 20 30 EFEDRM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C(C)C)cc1C#N ZINC001193057514 1293163291 /nfs/dbraw/zinc/16/32/91/1293163291.db2.gz IDZRJEMRZUFYIU-UHFFFAOYSA-N -1 0 338.429 2.765 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001193107285 1293171445 /nfs/dbraw/zinc/17/14/45/1293171445.db2.gz SIZPFDYXHIJCPY-QMMMGPOBSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccnc2cc(Br)ccc12 ZINC001193107256 1293171594 /nfs/dbraw/zinc/17/15/94/1293171594.db2.gz RZEZUZRDBNZWOH-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)nc2ccccc12 ZINC001193107127 1293171649 /nfs/dbraw/zinc/17/16/49/1293171649.db2.gz ONBNIGIJWWWBDU-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccnc2cc(C(F)(F)F)ccc12 ZINC001193106083 1293171710 /nfs/dbraw/zinc/17/17/10/1293171710.db2.gz LDHVBDISRZBMTR-MRVPVSSYSA-N -1 0 329.303 2.907 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2c(Br)n1 ZINC001193106627 1293171754 /nfs/dbraw/zinc/17/17/54/1293171754.db2.gz HSXJYMOAMYEZBA-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccc1 ZINC001193147047 1293186023 /nfs/dbraw/zinc/18/60/23/1293186023.db2.gz WCMQRROEWDIYPE-CYBMUJFWSA-N -1 0 344.392 2.697 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2cncc(Br)c21 ZINC001193149553 1293187050 /nfs/dbraw/zinc/18/70/50/1293187050.db2.gz PSDJANPVVHYIQZ-MRVPVSSYSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c2ccncc12 ZINC001193151905 1293187421 /nfs/dbraw/zinc/18/74/21/1293187421.db2.gz WNMWGWSOHMPBNV-QMMMGPOBSA-N -1 0 340.202 2.651 20 30 EFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(Br)c1Cl ZINC001193158669 1293188758 /nfs/dbraw/zinc/18/87/58/1293188758.db2.gz UBMDFCUIMFAXBL-RXMQYKEDSA-N -1 0 341.589 2.895 20 30 EFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C#N ZINC001193157351 1293188882 /nfs/dbraw/zinc/18/88/82/1293188882.db2.gz CLFSVLGQXYOQDE-LURJTMIESA-N -1 0 348.609 2.628 20 30 EFEDRM CC(=O)c1cc(Br)c(C)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193160246 1293190462 /nfs/dbraw/zinc/19/04/62/1293190462.db2.gz AOZOXEVKRMFHKB-MRVPVSSYSA-N -1 0 345.218 2.614 20 30 EFEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccsc2C#N)c1 ZINC001193390562 1293285586 /nfs/dbraw/zinc/28/55/86/1293285586.db2.gz AHUHZFDVMHFMEB-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM N#Cc1cccc(Br)c1[N-]S(=O)(=O)CC1CCC1 ZINC001193514665 1293341483 /nfs/dbraw/zinc/34/14/83/1293341483.db2.gz CXVGZWQBJCWOCH-UHFFFAOYSA-N -1 0 329.219 2.863 20 30 EFEDRM COC(=O)C[C@H](NC(=O)c1ccc([O-])c(C#N)c1)C1CCCCC1 ZINC001193515599 1293341519 /nfs/dbraw/zinc/34/15/19/1293341519.db2.gz PFCGNHBXDVFMHX-HNNXBMFYSA-N -1 0 330.384 2.506 20 30 EFEDRM N#Cc1cc(C(=O)N[C@H]2CCOc3c(F)cc(F)cc32)ccc1[O-] ZINC001193519170 1293343554 /nfs/dbraw/zinc/34/35/54/1293343554.db2.gz SKRARMHXEBHLCD-AWEZNQCLSA-N -1 0 330.290 2.796 20 30 EFEDRM N#Cc1cnc(NC(=O)c2cccc(C#N)c2[O-])c(Br)c1 ZINC001193634534 1293377346 /nfs/dbraw/zinc/37/73/46/1293377346.db2.gz FDQUMEGMPIRPKB-UHFFFAOYSA-N -1 0 343.140 2.545 20 30 EFEDRM N#Cc1cccc(C(=O)Nc2cccc(-c3cccc(N)n3)n2)c1[O-] ZINC001193635352 1293377700 /nfs/dbraw/zinc/37/77/00/1293377700.db2.gz SCIIDVAMFZCSQN-UHFFFAOYSA-N -1 0 331.335 2.555 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1[O-] ZINC001193634193 1293378664 /nfs/dbraw/zinc/37/86/64/1293378664.db2.gz AEISZXIKBKXSKE-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM Cc1nc(NC(=O)c2cccc(C#N)c2[O-])nc(C)c1Br ZINC001193635227 1293378851 /nfs/dbraw/zinc/37/88/51/1293378851.db2.gz QNDYZLYSOPHKNJ-UHFFFAOYSA-N -1 0 347.172 2.686 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC(COc3cccnc3)CC2)c1[O-] ZINC001193642932 1293380832 /nfs/dbraw/zinc/38/08/32/1293380832.db2.gz SSMBSMVLOKPHLC-UHFFFAOYSA-N -1 0 337.379 2.590 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncc(F)cc2Cl)c1 ZINC001193644233 1293383813 /nfs/dbraw/zinc/38/38/13/1293383813.db2.gz ARLUWHSDWALQEJ-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccnc2C2CC2)c1 ZINC001193644651 1293384699 /nfs/dbraw/zinc/38/46/99/1293384699.db2.gz NBNWCNVDZZITPF-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C3CC3)nc2)c1 ZINC001193644248 1293385345 /nfs/dbraw/zinc/38/53/45/1293385345.db2.gz BYTQHAJPTKIKET-UHFFFAOYSA-N -1 0 329.381 2.640 20 30 EFEDRM N#Cc1cccc(C(=O)N2CCC3(Cc4ccccc4O3)CC2)c1[O-] ZINC001193647247 1293392641 /nfs/dbraw/zinc/39/26/41/1293392641.db2.gz XZASYHOIUVEFOA-UHFFFAOYSA-N -1 0 334.375 2.874 20 30 EFEDRM N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC000903645208 1312998611 /nfs/dbraw/zinc/99/86/11/1312998611.db2.gz NOFYQDJVVIKBFU-UHFFFAOYSA-N -1 0 336.804 2.545 20 30 EFEDRM N#Cc1cccc(C(=O)NCc2ccc(-c3ncccn3)cc2)c1[O-] ZINC001193658564 1293398750 /nfs/dbraw/zinc/39/87/50/1293398750.db2.gz AXJFRKXNVPUJOP-UHFFFAOYSA-N -1 0 330.347 2.651 20 30 EFEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)cc1 ZINC001193681371 1293407980 /nfs/dbraw/zinc/40/79/80/1293407980.db2.gz VDXXRVIKLANHJC-UHFFFAOYSA-N -1 0 332.381 2.766 20 30 EFEDRM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193932386 1293480759 /nfs/dbraw/zinc/48/07/59/1293480759.db2.gz LYKRXJZRLDDVRI-UHFFFAOYSA-N -1 0 341.314 2.960 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131148174 1293489459 /nfs/dbraw/zinc/48/94/59/1293489459.db2.gz DSMNSRXJRJEKDO-LBPRGKRZSA-N -1 0 342.424 2.834 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)cc1F ZINC001194094594 1293529498 /nfs/dbraw/zinc/52/94/98/1293529498.db2.gz HUQUVBXUJPIIAT-UHFFFAOYSA-N -1 0 331.328 2.780 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194217787 1293557797 /nfs/dbraw/zinc/55/77/97/1293557797.db2.gz UTCKGPWRRCKIIO-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194225761 1293561005 /nfs/dbraw/zinc/56/10/05/1293561005.db2.gz HRIWWXYVCFHPOT-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM C#Cc1ccc(CNC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC001194276798 1293563661 /nfs/dbraw/zinc/56/36/61/1293563661.db2.gz FLAFDPIMIQGWMW-UHFFFAOYSA-N -1 0 331.375 2.798 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC001253229303 1293584265 /nfs/dbraw/zinc/58/42/65/1293584265.db2.gz QJMCHVGPPFRJBN-QMMMGPOBSA-N -1 0 339.232 2.911 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)n1 ZINC001194459285 1293631865 /nfs/dbraw/zinc/63/18/65/1293631865.db2.gz YMTUKJBGPMTZLH-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194523986 1293657190 /nfs/dbraw/zinc/65/71/90/1293657190.db2.gz AQSHJPCURUAQKP-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)ccc1F ZINC001194562102 1293668711 /nfs/dbraw/zinc/66/87/11/1293668711.db2.gz NMWGCZSYZIEYTC-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM C#Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194562458 1293668731 /nfs/dbraw/zinc/66/87/31/1293668731.db2.gz QPNULXYBPFDFBJ-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1F ZINC001194568682 1293671687 /nfs/dbraw/zinc/67/16/87/1293671687.db2.gz LDROMWZUPMOZCO-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM C[Si](C)(C)C#C[C@@H](Oc1[nH]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233935416 1313020957 /nfs/dbraw/zinc/02/09/57/1313020957.db2.gz SDFLLGSBSYPTDZ-CQSZACIVSA-N -1 0 338.443 2.647 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1Cl ZINC001194932170 1293742287 /nfs/dbraw/zinc/74/22/87/1293742287.db2.gz HJSYOERLIHRUDD-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM Cc1sc([N-]S(=O)(=O)c2cccc3nccnc32)c(C#N)c1C ZINC001194939305 1293750083 /nfs/dbraw/zinc/75/00/83/1293750083.db2.gz PEAWMEXONXUPJZ-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3nccnc32)s1 ZINC001194939018 1293750605 /nfs/dbraw/zinc/75/06/05/1293750605.db2.gz MGDHJFQBQYRZFB-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194986579 1293768233 /nfs/dbraw/zinc/76/82/33/1293768233.db2.gz VEGWHCUEDHHEDB-UHFFFAOYSA-N -1 0 346.318 2.580 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)CC[Si](C)(C)C)c1C#N ZINC001195041445 1293782334 /nfs/dbraw/zinc/78/23/34/1293782334.db2.gz FIFAPRACECVRRF-UHFFFAOYSA-N -1 0 329.498 2.924 20 30 EFEDRM N#Cc1cc(NC(=O)c2ncc(Br)s2)c([O-])cc1F ZINC001195070906 1293792291 /nfs/dbraw/zinc/79/22/91/1293792291.db2.gz FLEDDHNFUVUQQM-UHFFFAOYSA-N -1 0 342.149 2.874 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000133231616 1293802175 /nfs/dbraw/zinc/80/21/75/1293802175.db2.gz TYMOFSLWZZHANP-UHFFFAOYSA-N -1 0 333.340 2.614 20 30 EFEDRM Cc1cc(C#N)cc(C(=O)Nc2ncc(O)cc2Br)c1 ZINC001195409579 1293909995 /nfs/dbraw/zinc/90/99/95/1293909995.db2.gz VQQSSRGNVHNYAR-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1ccc(Br)c(F)c1C#N ZINC001195491101 1293941232 /nfs/dbraw/zinc/94/12/32/1293941232.db2.gz QUYWGYLZFAVEDS-UHFFFAOYSA-N -1 0 346.181 2.903 20 30 EFEDRM CCOC(=O)NC(=S)[N-]c1cc(Br)cc(F)c1C#N ZINC001195492970 1293942514 /nfs/dbraw/zinc/94/25/14/1293942514.db2.gz SZNHKORXCWBAGJ-UHFFFAOYSA-N -1 0 346.181 2.903 20 30 EFEDRM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(Cl)c2[O-])c1 ZINC000775663835 1293960134 /nfs/dbraw/zinc/96/01/34/1293960134.db2.gz DTSPSYYGOGTSNB-UHFFFAOYSA-N -1 0 342.782 2.738 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c1 ZINC000884105795 1293990450 /nfs/dbraw/zinc/99/04/50/1293990450.db2.gz YAXASNZWINKVGX-TWGQIWQCSA-N -1 0 349.346 2.627 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC001195733595 1294004268 /nfs/dbraw/zinc/00/42/68/1294004268.db2.gz SDQMLPQDFKMLAW-UHFFFAOYSA-N -1 0 343.333 2.504 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)c(Cl)c1 ZINC000903672477 1313044472 /nfs/dbraw/zinc/04/44/72/1313044472.db2.gz OWNWLVKONFJWEE-UHFFFAOYSA-N -1 0 337.788 2.879 20 30 EFEDRM CN1c2cc(NC(=O)c3ccc(C#N)cc3[O-])ccc2C(C)(C)C1=O ZINC001195757429 1294014767 /nfs/dbraw/zinc/01/47/67/1294014767.db2.gz BIWJHRDGUZTPOU-UHFFFAOYSA-N -1 0 335.363 2.770 20 30 EFEDRM CN(CCCCNC(=O)c1ccc(C#N)cc1[O-])C(=O)OC(C)(C)C ZINC001195764009 1294017766 /nfs/dbraw/zinc/01/77/66/1294017766.db2.gz FRENRRAGCZVZNE-UHFFFAOYSA-N -1 0 347.415 2.641 20 30 EFEDRM N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c([O-])c1 ZINC001195740620 1294025358 /nfs/dbraw/zinc/02/53/58/1294025358.db2.gz BHEFUFOSRZUGLJ-HHXXYDBFSA-N -1 0 340.423 2.931 20 30 EFEDRM N#Cc1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c([O-])c1 ZINC001195740691 1294026144 /nfs/dbraw/zinc/02/61/44/1294026144.db2.gz CLKVJOMFMHUBCB-UHFFFAOYSA-N -1 0 348.402 2.968 20 30 EFEDRM CCOC(=O)CN(Cc1ccsc1)C(=O)c1ccc(C#N)cc1[O-] ZINC001195751957 1294029351 /nfs/dbraw/zinc/02/93/51/1294029351.db2.gz ZXEUOBCLQQUTOV-UHFFFAOYSA-N -1 0 344.392 2.531 20 30 EFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(OC)ccc2O)c1 ZINC000775673194 1294047960 /nfs/dbraw/zinc/04/79/60/1294047960.db2.gz XBFUUNNJHXYQTC-UHFFFAOYSA-N -1 0 331.393 2.597 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC001196118565 1294146345 /nfs/dbraw/zinc/14/63/45/1294146345.db2.gz PYSVMKFCAWGLIB-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1C#N ZINC001196214272 1294166341 /nfs/dbraw/zinc/16/63/41/1294166341.db2.gz UGOCOCMXGCFJIU-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM N#Cc1ccsc1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196281185 1294190847 /nfs/dbraw/zinc/19/08/47/1294190847.db2.gz MKEMAYJIJVFRNS-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C(=O)[O-])ccc2F)C1=O ZINC001273718927 1294206072 /nfs/dbraw/zinc/20/60/72/1294206072.db2.gz KDSVOOLWKMRKKO-LJQANCHMSA-N -1 0 346.402 2.667 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c(F)c1 ZINC001196383445 1294218702 /nfs/dbraw/zinc/21/87/02/1294218702.db2.gz SAQFTTDUUXIJCP-UHFFFAOYSA-N -1 0 329.356 2.987 20 30 EFEDRM CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ncc2[O-])cc1C#N ZINC001196396515 1294224411 /nfs/dbraw/zinc/22/44/11/1294224411.db2.gz URCOSIDVTUEEET-UHFFFAOYSA-N -1 0 330.731 2.523 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001196639946 1294314116 /nfs/dbraw/zinc/31/41/16/1294314116.db2.gz WUXMTGSHGHVVQW-UHFFFAOYSA-N -1 0 336.756 2.741 20 30 EFEDRM Cn1cnc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)cc21 ZINC001196679560 1294314816 /nfs/dbraw/zinc/31/48/16/1294314816.db2.gz BLDUCUKSXYIFHZ-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1O ZINC001196680569 1294315280 /nfs/dbraw/zinc/31/52/80/1294315280.db2.gz RJCDTHDCZXECQA-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM Cc1cc(F)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648526 1294318083 /nfs/dbraw/zinc/31/80/83/1294318083.db2.gz WIVCVFFIUCEEHK-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1O ZINC001196650623 1294319349 /nfs/dbraw/zinc/31/93/49/1294319349.db2.gz SOVLITJELCNARR-UHFFFAOYSA-N -1 0 344.179 2.766 20 30 EFEDRM COc1cc(F)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196651934 1294320501 /nfs/dbraw/zinc/32/05/01/1294320501.db2.gz NBRZLXWLHCUAPS-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1cc(O)cc(OC2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC001234140969 1313066799 /nfs/dbraw/zinc/06/67/99/1313066799.db2.gz MVOIKWXIVSYFSB-UHFFFAOYSA-N -1 0 330.775 2.755 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)cnc2Cl)n1 ZINC000885107744 1294327783 /nfs/dbraw/zinc/32/77/83/1294327783.db2.gz BDEFLWQTYRNQAG-NSHDSACASA-N -1 0 349.799 2.842 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC001196676189 1294329541 /nfs/dbraw/zinc/32/95/41/1294329541.db2.gz RHQDTEIHCBUONG-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c1 ZINC001196725955 1294344985 /nfs/dbraw/zinc/34/49/85/1294344985.db2.gz JVTQEFWZWXAJSY-UHFFFAOYSA-N -1 0 341.751 2.555 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ncncc2c1 ZINC001196689791 1294346183 /nfs/dbraw/zinc/34/61/83/1294346183.db2.gz BRLCAHZNBPLHRY-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](O)CC2 ZINC001196690641 1294346810 /nfs/dbraw/zinc/34/68/10/1294346810.db2.gz QVMZXDLUBUYALC-HNNXBMFYSA-N -1 0 348.811 2.992 20 30 EFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001196690851 1294347280 /nfs/dbraw/zinc/34/72/80/1294347280.db2.gz YDIJJZYWYGKWGZ-UHFFFAOYSA-N -1 0 344.726 2.996 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c1 ZINC001196763788 1294350595 /nfs/dbraw/zinc/35/05/95/1294350595.db2.gz DMBLGZPSDSASSG-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(OC)ccc2F)c1 ZINC001196763143 1294350702 /nfs/dbraw/zinc/35/07/02/1294350702.db2.gz OSEOJJQFOZCCJU-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C#N)c1 ZINC001196763328 1294350947 /nfs/dbraw/zinc/35/09/47/1294350947.db2.gz RRZAUXLGGWZDMC-UHFFFAOYSA-N -1 0 345.355 2.687 20 30 EFEDRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)c1 ZINC001196764340 1294351675 /nfs/dbraw/zinc/35/16/75/1294351675.db2.gz NNFQVSHBSZUZOX-UHFFFAOYSA-N -1 0 348.355 2.709 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ncc3c(n2)CC[C@H](C)C3)c1C#N ZINC000903689655 1313072743 /nfs/dbraw/zinc/07/27/43/1313072743.db2.gz OXPNBXQMFWJRKW-NSHDSACASA-N -1 0 342.424 2.582 20 30 EFEDRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC001197030099 1294444618 /nfs/dbraw/zinc/44/46/18/1294444618.db2.gz VZFQBZZROHWHBZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000136030483 1294463840 /nfs/dbraw/zinc/46/38/40/1294463840.db2.gz ONVUROZXSBBQGU-HNNXBMFYSA-N -1 0 340.404 2.723 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCOC3(CCC3)C2)n1 ZINC000885660808 1294464694 /nfs/dbraw/zinc/46/46/94/1294464694.db2.gz LHSJJHBPXFIRKA-CHWSQXEVSA-N -1 0 348.424 2.520 20 30 EFEDRM C=CC[C@@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)c1ccccc1 ZINC001234189934 1313077694 /nfs/dbraw/zinc/07/76/94/1313077694.db2.gz PTTXAGBXWATHGK-GFCCVEGCSA-N -1 0 330.340 2.679 20 30 EFEDRM CCOc1cc(OC)cc(C(=O)N(O)C(=N)c2ccccc2N)c1 ZINC001197322555 1294513946 /nfs/dbraw/zinc/51/39/46/1294513946.db2.gz AKAZUDPZIZVTIA-UHFFFAOYSA-N -1 0 329.356 2.533 20 30 EFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCc2nc[nH]n2)c1 ZINC001197364738 1294515107 /nfs/dbraw/zinc/51/51/07/1294515107.db2.gz BSAIONVHOUWFSN-UHFFFAOYSA-N -1 0 344.415 2.984 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197567394 1294612951 /nfs/dbraw/zinc/61/29/51/1294612951.db2.gz XDDDPAIZSCPSSK-UHFFFAOYSA-N -1 0 340.355 2.556 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197645845 1294640725 /nfs/dbraw/zinc/64/07/25/1294640725.db2.gz CRYVJDCCQGJHME-UHFFFAOYSA-N -1 0 325.752 2.688 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCCOC(C)(C)C)n1 ZINC000803752355 1313091030 /nfs/dbraw/zinc/09/10/30/1313091030.db2.gz QVYCIWJLRBNGLP-GFCCVEGCSA-N -1 0 338.429 2.766 20 30 EFEDRM N#Cc1cncc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197718085 1294661746 /nfs/dbraw/zinc/66/17/46/1294661746.db2.gz XCWQXRXQZCWWCA-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136639502 1294679542 /nfs/dbraw/zinc/67/95/42/1294679542.db2.gz DGXOFVUOKMGDAE-KRWDZBQOSA-N -1 0 347.374 2.540 20 30 EFEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccccn2)cccc1C(F)(F)F ZINC001197822031 1294753804 /nfs/dbraw/zinc/75/38/04/1294753804.db2.gz RRLWCJSKPAQNAP-UHFFFAOYSA-N -1 0 341.314 2.914 20 30 EFEDRM Cc1oc([N-]S(=O)(=O)c2ccc3nccnc3c2)c(C#N)c1C ZINC001198112694 1294902466 /nfs/dbraw/zinc/90/24/66/1294902466.db2.gz YNIILPVUEJVRQZ-UHFFFAOYSA-N -1 0 328.353 2.512 20 30 EFEDRM C=CC[C@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)c1ccccc1 ZINC001234355203 1313111607 /nfs/dbraw/zinc/11/16/07/1313111607.db2.gz MOKQQFVGXWZQCL-LBPRGKRZSA-N -1 0 345.351 2.990 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)cc(Cl)cc1C ZINC001234354862 1313111733 /nfs/dbraw/zinc/11/17/33/1313111733.db2.gz WCVSUPBXSURQGG-ZDUSSCGKSA-N -1 0 334.821 2.795 20 30 EFEDRM C=C[C@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)c1ccccc1 ZINC001234356212 1313112650 /nfs/dbraw/zinc/11/26/50/1313112650.db2.gz ZLBOUQIAUJUTBA-NSHDSACASA-N -1 0 331.324 2.600 20 30 EFEDRM N#Cc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)n2)cc1F ZINC001198231827 1294943657 /nfs/dbraw/zinc/94/36/57/1294943657.db2.gz UVAHISYGOGGOIR-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)n2)cc1F ZINC001198237927 1294950177 /nfs/dbraw/zinc/95/01/77/1294950177.db2.gz MASCOHSWRHMFJZ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cc(NC(=O)c2ccncc2OC(F)(F)F)c([O-])cc1F ZINC001198253864 1294955685 /nfs/dbraw/zinc/95/56/85/1294955685.db2.gz ILFGSHWRAGJNCI-UHFFFAOYSA-N -1 0 341.220 2.949 20 30 EFEDRM N#Cc1cc(NC(=S)Nc2ccc3c(c2)OCO3)c([O-])cc1F ZINC001198289587 1294967034 /nfs/dbraw/zinc/96/70/34/1294967034.db2.gz YFDKHFCZPNOSKZ-UHFFFAOYSA-N -1 0 331.328 2.941 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000121514659 1295051508 /nfs/dbraw/zinc/05/15/08/1295051508.db2.gz MJGCCUQPXCEPFO-GFCCVEGCSA-N -1 0 327.344 2.661 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)ccc1C#N ZINC001198650957 1295169838 /nfs/dbraw/zinc/16/98/38/1295169838.db2.gz IMBDZDCNZMHSNB-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2OC)ccc1F ZINC001198692941 1295180506 /nfs/dbraw/zinc/18/05/06/1295180506.db2.gz KIBXJHLNGSYQIC-UHFFFAOYSA-N -1 0 340.763 2.665 20 30 EFEDRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1 ZINC001198702013 1295187727 /nfs/dbraw/zinc/18/77/27/1295187727.db2.gz XLCCUOFCXNCJGG-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nccc(Oc2cccc(C#N)c2)n1 ZINC000886912054 1295209009 /nfs/dbraw/zinc/20/90/09/1295209009.db2.gz JPKIYZHOROYWRG-GXTWGEPZSA-N -1 0 338.367 2.830 20 30 EFEDRM CCc1cc(C#N)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198770424 1295244003 /nfs/dbraw/zinc/24/40/03/1295244003.db2.gz DBYZROAZWOFMHS-UHFFFAOYSA-N -1 0 330.365 2.620 20 30 EFEDRM C[C@H](C#N)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198779705 1295249098 /nfs/dbraw/zinc/24/90/98/1295249098.db2.gz UWTJPSRMPPPSHC-LLVKDONJSA-N -1 0 330.365 2.813 20 30 EFEDRM Cc1cc(C)c(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1C#N ZINC001198792861 1295261059 /nfs/dbraw/zinc/26/10/59/1295261059.db2.gz VOBOFANOOZCADH-UHFFFAOYSA-N -1 0 330.365 2.674 20 30 EFEDRM C#CC(C#C)Oc1cc(-c2cc(=O)c3ccc([O-])cc3o2)ccc1O ZINC001234495943 1313139259 /nfs/dbraw/zinc/13/92/59/1313139259.db2.gz LPTKEWQACPTHKG-UHFFFAOYSA-N -1 0 332.311 2.885 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c(C)c1 ZINC001198912726 1295326912 /nfs/dbraw/zinc/32/69/12/1295326912.db2.gz YVEJESKMFCNWSO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC/C=C\CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21 ZINC001234529134 1313147638 /nfs/dbraw/zinc/14/76/38/1313147638.db2.gz BTWUKOZOLIZESZ-RXNFCKPNSA-N -1 0 341.367 2.874 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)c(C)c1 ZINC001198943982 1295378427 /nfs/dbraw/zinc/37/84/27/1295378427.db2.gz WNCRLKSNFCKEKM-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM CC(C)C[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(=O)OC(C)C ZINC001234530116 1313148372 /nfs/dbraw/zinc/14/83/72/1313148372.db2.gz HPIUTNQFYFRQBL-HNNXBMFYSA-N -1 0 343.383 2.952 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnoc1C(F)(F)F ZINC001199050093 1295405338 /nfs/dbraw/zinc/40/53/38/1295405338.db2.gz VFJZACGRDMSMOP-UHFFFAOYSA-N -1 0 345.258 2.665 20 30 EFEDRM C=CCN1CC[C@]2(CCCN2Cc2cc(Cl)c([O-])cc2F)C1=O ZINC001274117788 1295474624 /nfs/dbraw/zinc/47/46/24/1295474624.db2.gz RFDFQGYROKHPDR-QGZVFWFLSA-N -1 0 338.810 2.938 20 30 EFEDRM C#C[C@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)CC2(F)F ZINC001234684286 1313182027 /nfs/dbraw/zinc/18/20/27/1313182027.db2.gz AWBMZKTUYCDDHX-LBPRGKRZSA-N -1 0 345.349 2.690 20 30 EFEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc3sccc3[nH]2)C1 ZINC001234846432 1313198051 /nfs/dbraw/zinc/19/80/51/1313198051.db2.gz BVVRAHPXJJGLKA-ONGXEEELSA-N -1 0 334.401 2.762 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C#N)c1C(C)C ZINC001234855471 1313199385 /nfs/dbraw/zinc/19/93/85/1313199385.db2.gz BAJKKOSHKLXMOE-AWEZNQCLSA-N -1 0 339.413 2.519 20 30 EFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)nc1C ZINC000777292626 1295991598 /nfs/dbraw/zinc/99/15/98/1295991598.db2.gz IYQFOQUDAXYRPW-GOSISDBHSA-N -1 0 349.390 2.540 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3csc(C(=O)[O-])c3)cc12 ZINC000106586800 1295997444 /nfs/dbraw/zinc/99/74/44/1295997444.db2.gz PCWGZVAFSIDNRP-ONEGZZNKSA-N -1 0 327.365 2.933 20 30 EFEDRM C=CC[C@H](C=C)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234894139 1313204644 /nfs/dbraw/zinc/20/46/44/1313204644.db2.gz CGTKNLCWHYOAEC-NSHDSACASA-N -1 0 327.340 2.540 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C)c(Cl)c1C ZINC001234946383 1313210602 /nfs/dbraw/zinc/21/06/02/1313210602.db2.gz XDXUPDDZCSXNGQ-GFCCVEGCSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000776067255 1296091340 /nfs/dbraw/zinc/09/13/40/1296091340.db2.gz ORDIFVYTEFVEGN-NTCAYCPXSA-N -1 0 337.441 2.866 20 30 EFEDRM C=CCCOCCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000776074888 1296096071 /nfs/dbraw/zinc/09/60/71/1296096071.db2.gz QAVVOXSYYUICAD-UHFFFAOYSA-N -1 0 345.848 2.908 20 30 EFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000776096811 1296285054 /nfs/dbraw/zinc/28/50/54/1296285054.db2.gz DYPXXUIFNBCMLZ-STQMWFEESA-N -1 0 327.771 2.695 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(Cl)c1Cl ZINC000776136971 1296587649 /nfs/dbraw/zinc/58/76/49/1296587649.db2.gz QCWXJDHBONEEFY-UHFFFAOYSA-N -1 0 335.212 2.603 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000776138191 1296594525 /nfs/dbraw/zinc/59/45/25/1296594525.db2.gz FZAPQJSLRDQFFN-UHFFFAOYSA-N -1 0 335.212 2.603 20 30 EFEDRM CC(C)[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000776139041 1296629718 /nfs/dbraw/zinc/62/97/18/1296629718.db2.gz OGLKBMUZEGDJHA-HNNXBMFYSA-N -1 0 336.457 2.812 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000776142717 1296649360 /nfs/dbraw/zinc/64/93/60/1296649360.db2.gz OZLLOTIAGUQXMZ-UHFFFAOYSA-N -1 0 342.848 2.658 20 30 EFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(Cl)s1 ZINC000776142435 1296649845 /nfs/dbraw/zinc/64/98/45/1296649845.db2.gz MTCHNIDUKCZHHE-MRVPVSSYSA-N -1 0 334.850 2.501 20 30 EFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000776144366 1296651675 /nfs/dbraw/zinc/65/16/75/1296651675.db2.gz MTFMQTBPQXQFKJ-UHFFFAOYSA-N -1 0 349.239 2.532 20 30 EFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCCC2)c1 ZINC000776143627 1296652354 /nfs/dbraw/zinc/65/23/54/1296652354.db2.gz IXTOIVMICBYFHJ-UHFFFAOYSA-N -1 0 348.468 2.803 20 30 EFEDRM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201247801 1296658642 /nfs/dbraw/zinc/65/86/42/1296658642.db2.gz RATMDGRXEBILFL-UHFFFAOYSA-N -1 0 349.174 2.538 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1OC ZINC001201287385 1296683185 /nfs/dbraw/zinc/68/31/85/1296683185.db2.gz IQGYGXWCEQZFCZ-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n(CC2CC2)n1 ZINC001201294946 1296709472 /nfs/dbraw/zinc/70/94/72/1296709472.db2.gz GOOJNHLKBNTCGB-UHFFFAOYSA-N -1 0 330.413 2.582 20 30 EFEDRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201295795 1296710251 /nfs/dbraw/zinc/71/02/51/1296710251.db2.gz ZYZSOCDZJHLBHS-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C#N)cc1C#N ZINC001201322974 1296727110 /nfs/dbraw/zinc/72/71/10/1296727110.db2.gz VQQOYXIZMIXQFY-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2C#N)cc1C#N ZINC001201322046 1296727274 /nfs/dbraw/zinc/72/72/74/1296727274.db2.gz BNIXUQOQFXFSJT-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2NC(=O)CC3)cc1C#N ZINC001201322276 1296727391 /nfs/dbraw/zinc/72/73/91/1296727391.db2.gz HIWRHKQERJQPOF-UHFFFAOYSA-N -1 0 341.392 2.552 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ncn3C)cc1C#N ZINC001201322523 1296727913 /nfs/dbraw/zinc/72/79/13/1296727913.db2.gz NFKFSPYTEQKKLD-UHFFFAOYSA-N -1 0 326.381 2.554 20 30 EFEDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323070 1296728039 /nfs/dbraw/zinc/72/80/39/1296728039.db2.gz YXJDGXNARPHKRR-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2occ3c2CCC3)n1 ZINC000803881992 1313304208 /nfs/dbraw/zinc/30/42/08/1313304208.db2.gz HWYQRFMURFXADS-LBPRGKRZSA-N -1 0 330.365 2.567 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2sc(Cl)nc2C)c1C#N ZINC001201765009 1297061284 /nfs/dbraw/zinc/06/12/84/1297061284.db2.gz OMPWDQULJYANQS-UHFFFAOYSA-N -1 0 343.817 2.786 20 30 EFEDRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2c(C#N)ncn2C)c(C)c1C ZINC001201792439 1297079732 /nfs/dbraw/zinc/07/97/32/1297079732.db2.gz HKQWTQOEZSNFCM-UHFFFAOYSA-N -1 0 332.429 2.635 20 30 EFEDRM C=CCC[C@@H](NC(=O)N[C@](CC)(COC)C(=O)[O-])c1ccccc1 ZINC000929044947 1297153806 /nfs/dbraw/zinc/15/38/06/1297153806.db2.gz PSKZSQQDFUOBQM-CRAIPNDOSA-N -1 0 334.416 2.873 20 30 EFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COc1ccc(C)cc1C ZINC000042292379 1297696179 /nfs/dbraw/zinc/69/61/79/1297696179.db2.gz SGGSSJSCHOFYKC-UHFFFAOYSA-N -1 0 338.385 2.632 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2C#N)cc1 ZINC000042303644 1297698411 /nfs/dbraw/zinc/69/84/11/1297698411.db2.gz UBJXFYGPVPHGNH-JXMROGBWSA-N -1 0 337.360 2.789 20 30 EFEDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000042303809 1297699141 /nfs/dbraw/zinc/69/91/41/1297699141.db2.gz FGZOBJSIQHKKHX-UHFFFAOYSA-N -1 0 348.355 2.594 20 30 EFEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000778653804 1297702039 /nfs/dbraw/zinc/70/20/39/1297702039.db2.gz BFZCKGORSCZGTK-LBPRGKRZSA-N -1 0 335.347 2.745 20 30 EFEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000044011967 1297710292 /nfs/dbraw/zinc/71/02/92/1297710292.db2.gz OLNWCQIVTLYCFV-NTOSSWPYSA-N -1 0 325.324 2.975 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1c(F)cc(F)c([O-])c1F ZINC001235991793 1313428694 /nfs/dbraw/zinc/42/86/94/1313428694.db2.gz XROKSLKBQAWZCI-CGOBSMCZSA-N -1 0 342.273 2.971 20 30 EFEDRM CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776363551 1298023771 /nfs/dbraw/zinc/02/37/71/1298023771.db2.gz FMSGCSWAGRATNF-HNNXBMFYSA-N -1 0 336.413 2.687 20 30 EFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCC2CCCCC2)CCCC1 ZINC000779320556 1298204156 /nfs/dbraw/zinc/20/41/56/1298204156.db2.gz ZZISKOWAYSJCHR-UHFFFAOYSA-N -1 0 326.462 2.877 20 30 EFEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000193381679 1298432926 /nfs/dbraw/zinc/43/29/26/1298432926.db2.gz FXUDAXIJAFGUPB-LBPRGKRZSA-N -1 0 339.317 2.790 20 30 EFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cs2)cc1 ZINC000083937347 1298721129 /nfs/dbraw/zinc/72/11/29/1298721129.db2.gz MDSOCGBMWHKZHP-UHFFFAOYSA-N -1 0 336.394 2.712 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000779848415 1298962171 /nfs/dbraw/zinc/96/21/71/1298962171.db2.gz NGRVWKRTFPGSPY-GFCCVEGCSA-N -1 0 344.392 2.808 20 30 EFEDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1F ZINC000086056347 1299256576 /nfs/dbraw/zinc/25/65/76/1299256576.db2.gz WFQCCZNITGJSSN-UHFFFAOYSA-N -1 0 329.393 2.996 20 30 EFEDRM CCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000086056148 1299256597 /nfs/dbraw/zinc/25/65/97/1299256597.db2.gz XBSABTUKORKNSR-UHFFFAOYSA-N -1 0 326.374 2.734 20 30 EFEDRM Cc1nn(C)c2sc(/C([O-])=N/S(=O)(=O)C3CCCC3)cc12 ZINC000086055949 1299256976 /nfs/dbraw/zinc/25/69/76/1299256976.db2.gz YROKUTQJKCTXKL-UHFFFAOYSA-N -1 0 327.431 2.520 20 30 EFEDRM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC001252354791 1299311883 /nfs/dbraw/zinc/31/18/83/1299311883.db2.gz AOAHQXGNBPJASS-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM C=CCNC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776519149 1299339105 /nfs/dbraw/zinc/33/91/05/1299339105.db2.gz YUDZRTRMRBPBGR-NSHDSACASA-N -1 0 329.743 2.620 20 30 EFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1C#N ZINC000776555086 1299487025 /nfs/dbraw/zinc/48/70/25/1299487025.db2.gz NTWDIYTYTGQZIR-SNVBAGLBSA-N -1 0 344.820 2.523 20 30 EFEDRM C=CCC[C@H](NS(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)[O-] ZINC000776597218 1299715377 /nfs/dbraw/zinc/71/53/77/1299715377.db2.gz NRKKEQHPWOKMFT-XEHSLEBBSA-N -1 0 329.805 2.650 20 30 EFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1C(C)N=Nc1ncncc1F ZINC000853349255 1300094222 /nfs/dbraw/zinc/09/42/22/1300094222.db2.gz UQXRMZVYLAOLQV-UHFFFAOYSA-N -1 0 332.335 2.937 20 30 EFEDRM C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853988484 1300379232 /nfs/dbraw/zinc/37/92/32/1300379232.db2.gz BDULCSGGGBWWGE-PELKAZGASA-N -1 0 347.287 2.730 20 30 EFEDRM COCCO[C@@H]1COCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000776721654 1300480545 /nfs/dbraw/zinc/48/05/45/1300480545.db2.gz IXNRAXMNSNXOJJ-ODSUSYTRSA-N -1 0 348.226 2.938 20 30 EFEDRM CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000088800302 1300631750 /nfs/dbraw/zinc/63/17/50/1300631750.db2.gz JZLKYHVXQNJNRF-OUKQBFOZSA-N -1 0 338.429 2.592 20 30 EFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)c(F)cc1F ZINC000088818542 1300642500 /nfs/dbraw/zinc/64/25/00/1300642500.db2.gz QIBGUKGFXPQEMJ-SNVBAGLBSA-N -1 0 333.356 2.878 20 30 EFEDRM CCOc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1Cl ZINC000112484274 1300655798 /nfs/dbraw/zinc/65/57/98/1300655798.db2.gz XHNFBYHYHMTBGW-LBPRGKRZSA-N -1 0 335.791 2.515 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OCC#N ZINC000254838507 1300709939 /nfs/dbraw/zinc/70/99/39/1300709939.db2.gz NHBGEYSCIFAOBG-UHFFFAOYSA-N -1 0 325.324 2.742 20 30 EFEDRM Cc1nnc(N=NC2C[C@@H](OCc3ccccc3)C2(C)C)[n-]c1=O ZINC000776760514 1300710245 /nfs/dbraw/zinc/71/02/45/1300710245.db2.gz RZDBTTVHOBXJTP-CQSZACIVSA-N -1 0 327.388 2.669 20 30 EFEDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C2=Cc3ccccc3OC2)c1 ZINC000089490489 1300820763 /nfs/dbraw/zinc/82/07/63/1300820763.db2.gz IUTXUYZETNZFGP-UHFFFAOYSA-N -1 0 347.396 2.585 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000245932657 1300823120 /nfs/dbraw/zinc/82/31/20/1300823120.db2.gz QUXUYNNKBQAVPF-HRCADAONSA-N -1 0 346.452 2.970 20 30 EFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000795362027 1300842895 /nfs/dbraw/zinc/84/28/95/1300842895.db2.gz SBYIDNUTDSSWTD-UHFFFAOYSA-N -1 0 340.767 2.588 20 30 EFEDRM Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)cc(C(=O)[O-])c1 ZINC000795365172 1300850433 /nfs/dbraw/zinc/85/04/33/1300850433.db2.gz HAHFEBDQKUEHNY-UHFFFAOYSA-N -1 0 330.365 2.560 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCC1)c1cnc([C@@H]2CCCO2)s1 ZINC000089982056 1300963426 /nfs/dbraw/zinc/96/34/26/1300963426.db2.gz JCRNAHIKGQQLAZ-JTQLQIEISA-N -1 0 330.431 2.572 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccsc1)c1cnc([C@H]2CCCO2)s1 ZINC000089984069 1300963453 /nfs/dbraw/zinc/96/34/53/1300963453.db2.gz YADQGCAJERKDCL-SECBINFHSA-N -1 0 344.439 2.750 20 30 EFEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2nncn2c1 ZINC000113651172 1301106960 /nfs/dbraw/zinc/10/69/60/1301106960.db2.gz JTWAARSSOWNNIW-AWEZNQCLSA-N -1 0 343.346 2.724 20 30 EFEDRM C=CCCO[N-]C(=O)CSc1nccn1-c1cccc(OC)c1 ZINC000856028246 1301209304 /nfs/dbraw/zinc/20/93/04/1301209304.db2.gz DSULNKJXLQDXNP-UHFFFAOYSA-N -1 0 333.413 2.597 20 30 EFEDRM C=CCCO[N-]C(=O)Cn1c2ccccc2nc1SC(F)F ZINC000856029157 1301210307 /nfs/dbraw/zinc/21/03/07/1301210307.db2.gz BOXPEGKIOVSJJO-UHFFFAOYSA-N -1 0 327.356 2.975 20 30 EFEDRM C=CCCO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC ZINC000856031638 1301210383 /nfs/dbraw/zinc/21/03/83/1301210383.db2.gz YAGCOIHQCDAMTG-WMLDXEAASA-N -1 0 330.428 2.610 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000856029506 1301210437 /nfs/dbraw/zinc/21/04/37/1301210437.db2.gz QNIQPUUQURXHRL-FAKMSMKASA-N -1 0 348.487 2.968 20 30 EFEDRM C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000856030648 1301210614 /nfs/dbraw/zinc/21/06/14/1301210614.db2.gz KYOLAZKWCZGISD-SECBINFHSA-N -1 0 332.169 2.979 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2scnc2C)n1 ZINC000777098263 1301411710 /nfs/dbraw/zinc/41/17/10/1301411710.db2.gz DMQYWYIOSRQQPI-PGLGOXFNSA-N -1 0 347.421 2.649 20 30 EFEDRM C=CCOC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238155651 1313772306 /nfs/dbraw/zinc/77/23/06/1313772306.db2.gz QWBSZNBAUMMYDF-UHFFFAOYSA-N -1 0 328.771 2.625 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(-n2cccn2)c1 ZINC000117083012 1301659027 /nfs/dbraw/zinc/65/90/27/1301659027.db2.gz ZJNYAXPEAUAYQO-SFHVURJKSA-N -1 0 344.374 2.511 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cn(C2CC2)nn1 ZINC000860451762 1301810935 /nfs/dbraw/zinc/81/09/35/1301810935.db2.gz MHLJFBLZCPJTKJ-CYBMUJFWSA-N -1 0 333.351 2.608 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000860630757 1301862339 /nfs/dbraw/zinc/86/23/39/1301862339.db2.gz BRQCEWVCSVLSEN-LBPRGKRZSA-N -1 0 346.246 2.575 20 30 EFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000860824142 1301935640 /nfs/dbraw/zinc/93/56/40/1301935640.db2.gz HOMUSBZZVZZYIX-UHFFFAOYSA-N -1 0 346.811 2.755 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CC2=CCCCC2)c(F)c1 ZINC000861013625 1301990797 /nfs/dbraw/zinc/99/07/97/1301990797.db2.gz NPAXXTLCGPRNBO-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014229 1301991138 /nfs/dbraw/zinc/99/11/38/1301991138.db2.gz YXLOYBUYXQPKKA-UHFFFAOYSA-N -1 0 340.420 2.860 20 30 EFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=CCCCCC2)c(F)c1 ZINC000861014322 1301991149 /nfs/dbraw/zinc/99/11/49/1301991149.db2.gz HMQSKFFCKBXMQN-UHFFFAOYSA-N -1 0 336.388 2.534 20 30 EFEDRM C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000862132221 1302291900 /nfs/dbraw/zinc/29/19/00/1302291900.db2.gz BBJAWHULVQAHNF-ZFWWWQNUSA-N -1 0 334.416 2.950 20 30 EFEDRM CC(C)(O)CNN=Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000863137215 1302540349 /nfs/dbraw/zinc/54/03/49/1302540349.db2.gz UIFCCWVTVAPCMC-KRWDZBQOSA-N -1 0 342.395 2.586 20 30 EFEDRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794597049 1302831998 /nfs/dbraw/zinc/83/19/98/1302831998.db2.gz SRFKGRCUPLZWEK-UHFFFAOYSA-N -1 0 332.356 2.895 20 30 EFEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000794731964 1303034197 /nfs/dbraw/zinc/03/41/97/1303034197.db2.gz FERZDHIGRNNYTM-KXFIGUGUSA-N -1 0 340.291 2.527 20 30 EFEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000794731966 1303034208 /nfs/dbraw/zinc/03/42/08/1303034208.db2.gz FERZDHIGRNNYTM-QHHAFSJGSA-N -1 0 340.291 2.527 20 30 EFEDRM COC(=O)c1coc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794715107 1303037787 /nfs/dbraw/zinc/03/77/87/1303037787.db2.gz URIFQQWQMSUEGD-AYLMVEPYSA-N -1 0 344.319 2.814 20 30 EFEDRM N#CC1CCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000865055944 1303142846 /nfs/dbraw/zinc/14/28/46/1303142846.db2.gz UMCLLZPRLBFZCT-UHFFFAOYSA-N -1 0 327.153 2.670 20 30 EFEDRM COc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1C(C)(C)C ZINC000865220464 1303193520 /nfs/dbraw/zinc/19/35/20/1303193520.db2.gz KCDTXDVZKLZNRS-VURMDHGXSA-N -1 0 342.395 2.688 20 30 EFEDRM O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1cc(Cl)ccc1[O-] ZINC000865220587 1303193756 /nfs/dbraw/zinc/19/37/56/1303193756.db2.gz MXXWRLXMMJMFCV-AGLBCWCQSA-N -1 0 333.775 2.712 20 30 EFEDRM Cc1nc2sc3c(c2c([N-]N=C2C(=O)OC[C@@H]2C)n1)CCCC3 ZINC000794869996 1303428437 /nfs/dbraw/zinc/42/84/37/1303428437.db2.gz HRMMETAORKEZEJ-QMMMGPOBSA-N -1 0 330.413 2.839 20 30 EFEDRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000748411820 1313912726 /nfs/dbraw/zinc/91/27/26/1313912726.db2.gz ZKTTYIRKQZICDK-KRWDZBQOSA-N -1 0 349.362 2.551 20 30 EFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000796877765 1303451526 /nfs/dbraw/zinc/45/15/26/1303451526.db2.gz ILDYAGHTDNKQFH-UHFFFAOYSA-N -1 0 334.422 2.551 20 30 EFEDRM COc1cc(/C=C2/Cc3cc(O)ccc3C2=O)ccc1OCC(=O)[O-] ZINC000780188150 1313931930 /nfs/dbraw/zinc/93/19/30/1313931930.db2.gz LLHYBVATQVOVKF-MLPAPPSSSA-N -1 0 340.331 2.687 20 30 EFEDRM O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794946485 1303763550 /nfs/dbraw/zinc/76/35/50/1303763550.db2.gz ORMGKVSOXNNWDI-DAFODLJHSA-N -1 0 340.291 2.527 20 30 EFEDRM C[C@H](Oc1cccc(C=NNCc2ccccc2N(C)C)c1)C(=O)[O-] ZINC000794949132 1303794392 /nfs/dbraw/zinc/79/43/92/1303794392.db2.gz JVMGTMPYYDYEHB-AWEZNQCLSA-N -1 0 341.411 2.728 20 30 EFEDRM C[C@@H](Oc1ccc(C=NNCc2ccccc2N(C)C)cc1)C(=O)[O-] ZINC000794953151 1303821886 /nfs/dbraw/zinc/82/18/86/1303821886.db2.gz XYNVZWFFQXSWMB-CQSZACIVSA-N -1 0 341.411 2.728 20 30 EFEDRM COCCN(C)N=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000794973304 1303866917 /nfs/dbraw/zinc/86/69/17/1303866917.db2.gz SUKGTRKFXMPWAU-UHFFFAOYSA-N -1 0 342.395 2.876 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(OC(F)(F)F)c1 ZINC000121832584 1303956587 /nfs/dbraw/zinc/95/65/87/1303956587.db2.gz XPEPFNLWANEQED-CYBMUJFWSA-N -1 0 340.301 2.966 20 30 EFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000122357173 1304538464 /nfs/dbraw/zinc/53/84/64/1304538464.db2.gz DLXIACJKUSMOAH-UHFFFAOYSA-N -1 0 342.298 2.807 20 30 EFEDRM COc1cccc([C@@H](C)CC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000122507350 1304692736 /nfs/dbraw/zinc/69/27/36/1304692736.db2.gz ISVULZIUNOQYEU-WFASDCNBSA-N -1 0 325.368 2.514 20 30 EFEDRM C[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2C1 ZINC000122555369 1304741061 /nfs/dbraw/zinc/74/10/61/1304741061.db2.gz QUPDSCHLIGVCKB-PWSUYJOCSA-N -1 0 327.409 2.812 20 30 EFEDRM Cc1ccc(OCCCC(=O)C(C#N)=C([O-])c2nccn2C)c(C)c1 ZINC000122607910 1304811840 /nfs/dbraw/zinc/81/18/40/1304811840.db2.gz UIKZWGKKPRNVJI-OAHLLOKOSA-N -1 0 339.395 2.788 20 30 EFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC3CCC3)cc2[n-]c1=S ZINC000122614580 1304813775 /nfs/dbraw/zinc/81/37/75/1304813775.db2.gz DJMOEGYRBCYETH-UHFFFAOYSA-N -1 0 343.452 2.791 20 30 EFEDRM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1 ZINC000122632404 1304823813 /nfs/dbraw/zinc/82/38/13/1304823813.db2.gz BNRGDHHKFQJYLZ-SWLSCSKDSA-N -1 0 325.368 2.803 20 30 EFEDRM COc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122687940 1304895587 /nfs/dbraw/zinc/89/55/87/1304895587.db2.gz DIGHFFWXGUXNPD-CQSZACIVSA-N -1 0 343.408 2.503 20 30 EFEDRM C[C@H](CCc1ccccc1F)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122746637 1304944944 /nfs/dbraw/zinc/94/49/44/1304944944.db2.gz BOCRSWPPGLIFLF-TZMCWYRMSA-N -1 0 327.359 2.720 20 30 EFEDRM CC[C@H](C)c1ccccc1OCC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122799481 1304989368 /nfs/dbraw/zinc/98/93/68/1304989368.db2.gz GECZNXNHWZTWBI-ZFWWWQNUSA-N -1 0 339.395 2.904 20 30 EFEDRM COc1ccc(S[C@H](C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1 ZINC000122801665 1305012570 /nfs/dbraw/zinc/01/25/70/1305012570.db2.gz XROLTTILXQBWQF-BXUZGUMPSA-N -1 0 343.408 2.501 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000122806596 1305014605 /nfs/dbraw/zinc/01/46/05/1305014605.db2.gz RZCRLBDNUVPBJF-VIFPVBQESA-N -1 0 342.405 2.810 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OCc2ccccc2)cn1 ZINC000870133305 1305158957 /nfs/dbraw/zinc/15/89/57/1305158957.db2.gz SRXVSRFMIPDXKL-QGZVFWFLSA-N -1 0 349.390 2.605 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000122985483 1305191318 /nfs/dbraw/zinc/19/13/18/1305191318.db2.gz QXEJKIUQQAJSFV-LBPRGKRZSA-N -1 0 336.376 2.749 20 30 EFEDRM C/C(=C\C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000870270458 1305234041 /nfs/dbraw/zinc/23/40/41/1305234041.db2.gz GTBVCABKFXCFJL-UKTHLTGXSA-N -1 0 326.462 2.755 20 30 EFEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)C(=O)c3nccn3C)c2)c1 ZINC000123112137 1305300545 /nfs/dbraw/zinc/30/05/45/1305300545.db2.gz CYTMYIFJKCUHRZ-QGZVFWFLSA-N -1 0 344.374 2.996 20 30 EFEDRM COc1ccccc1C[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123228007 1305441298 /nfs/dbraw/zinc/44/12/98/1305441298.db2.gz GDXVYBCTIUUBKA-DZGCQCFKSA-N -1 0 339.395 2.589 20 30 EFEDRM CO[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000780202551 1314059556 /nfs/dbraw/zinc/05/95/56/1314059556.db2.gz XWYUSPFWAMGKOI-DZGCQCFKSA-N -1 0 344.392 2.559 20 30 EFEDRM CC(C)COc1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000123283168 1305547748 /nfs/dbraw/zinc/54/77/48/1305547748.db2.gz PCADQORBBVUSKS-OAHLLOKOSA-N -1 0 325.368 2.660 20 30 EFEDRM C[C@@H](CCc1cccc(F)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123357653 1305624616 /nfs/dbraw/zinc/62/46/16/1305624616.db2.gz INXDJOFTVXVNPQ-WFASDCNBSA-N -1 0 327.359 2.720 20 30 EFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000123377897 1305659766 /nfs/dbraw/zinc/65/97/66/1305659766.db2.gz QYMXMPRYSNWTSC-NSHDSACASA-N -1 0 339.248 2.783 20 30 EFEDRM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2cncc(C(=O)[O-])c2)n1 ZINC001241799701 1314151578 /nfs/dbraw/zinc/15/15/78/1314151578.db2.gz DNMBEUUXETVTFJ-ZDUSSCGKSA-N -1 0 339.351 2.791 20 30 EFEDRM COc1cc2cc(C#N)c(-c3cncc(C(=O)[O-])c3)nc2cc1OC ZINC001241800205 1314152072 /nfs/dbraw/zinc/15/20/72/1314152072.db2.gz NPFHHVOODFNVCD-UHFFFAOYSA-N -1 0 335.319 2.884 20 30 EFEDRM COC(=O)c1cc(Br)c([O-])c(Nc2ccc(C#N)nc2)c1 ZINC001209594456 1314196455 /nfs/dbraw/zinc/19/64/55/1314196455.db2.gz YMXBNLJRXZDPCM-UHFFFAOYSA-N -1 0 348.156 2.952 20 30 EFEDRM CCn1cc(-c2ccc(C(=O)[O-])nc2)c2sc(C#N)cc2c1=O ZINC001242337399 1314199740 /nfs/dbraw/zinc/19/97/40/1314199740.db2.gz FEWWWTNNIHMMLP-UHFFFAOYSA-N -1 0 325.349 2.715 20 30 EFEDRM CCOC(=O)c1cc(C)nc(-c2cccc(C(=O)[O-])c2F)c1C#N ZINC001242377865 1314201736 /nfs/dbraw/zinc/20/17/36/1314201736.db2.gz FSSHZGIXALMMQP-UHFFFAOYSA-N -1 0 328.299 2.943 20 30 EFEDRM COc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(OC)c1OC(C)=O ZINC001242390531 1314203180 /nfs/dbraw/zinc/20/31/80/1314203180.db2.gz SBGLVEFCCSAHHD-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM CSCC(C)(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000800313298 1307690181 /nfs/dbraw/zinc/69/01/81/1307690181.db2.gz LDSTWFJYMFUYBW-JTQLQIEISA-N -1 0 326.443 2.560 20 30 EFEDRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000800392437 1307786935 /nfs/dbraw/zinc/78/69/35/1307786935.db2.gz WTZZIFVGNIIVGM-SNVBAGLBSA-N -1 0 328.821 2.843 20 30 EFEDRM C=CCOC[C@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC000900338372 1308007352 /nfs/dbraw/zinc/00/73/52/1308007352.db2.gz XPXRJDQVANGHIQ-ZDUSSCGKSA-N -1 0 326.780 2.734 20 30 EFEDRM C[C@@H]1CC(=O)C=C(c2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)C1 ZINC001242738730 1314230326 /nfs/dbraw/zinc/23/03/26/1314230326.db2.gz YGBSKEGKQATCFA-LBPRGKRZSA-N -1 0 343.408 2.660 20 30 EFEDRM COc1c(C(=O)[O-])cccc1-c1ccc(CN(C)/C(C)=N/C#N)cn1 ZINC001242920170 1314244909 /nfs/dbraw/zinc/24/49/09/1314244909.db2.gz KDRIXJVNFDYUMF-CIAFOILYSA-N -1 0 338.367 2.787 20 30 EFEDRM Cc1cc(C)nc([N-]N=C2C(=O)Nc3cccc(C(F)(F)F)c32)n1 ZINC000800803234 1308450293 /nfs/dbraw/zinc/45/02/93/1308450293.db2.gz BJCRDYMIVXLJQM-UHFFFAOYSA-N -1 0 335.289 2.881 20 30 EFEDRM Cc1[nH]c(C=NN2C(=S)N=NC2c2ccccc2F)cc1C(=O)[O-] ZINC000800806523 1308455194 /nfs/dbraw/zinc/45/51/94/1308455194.db2.gz BDFDGACTXCQWOY-UHFFFAOYSA-N -1 0 345.359 2.590 20 30 EFEDRM Cc1[nH]c(C=NNCc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000800811804 1308464168 /nfs/dbraw/zinc/46/41/68/1308464168.db2.gz JXJQHBOVLCRVDK-UHFFFAOYSA-N -1 0 336.189 2.908 20 30 EFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800930422 1308693329 /nfs/dbraw/zinc/69/33/29/1308693329.db2.gz JASXFHKNIKUIKQ-UHFFFAOYSA-N -1 0 347.783 2.536 20 30 EFEDRM Cc1c(F)cc(C(=O)[O-])cc1Nc1c(C#N)cnn1C1CCOCC1 ZINC001210008301 1314270627 /nfs/dbraw/zinc/27/06/27/1314270627.db2.gz XEEJKNONSRGHRL-UHFFFAOYSA-N -1 0 344.346 2.996 20 30 EFEDRM N#CCc1nn(-c2ccccc2)c(Nc2ccc(C(=O)[O-])nc2)c1C#N ZINC001210174562 1314291578 /nfs/dbraw/zinc/29/15/78/1314291578.db2.gz QIVCKZOKMWOYLN-UHFFFAOYSA-N -1 0 344.334 2.647 20 30 EFEDRM CCCCCCCC[C@@H](N)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000901029153 1309235947 /nfs/dbraw/zinc/23/59/47/1309235947.db2.gz IIPYXGAGNMSIJH-CYBMUJFWSA-N -1 0 332.491 2.631 20 30 EFEDRM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC001413278047 1309238493 /nfs/dbraw/zinc/23/84/93/1309238493.db2.gz CESSCFPOQDOHHA-QWRGUYRKSA-N -1 0 328.384 2.941 20 30 EFEDRM C[C@@H]1Cc2cc(C=Nn3c(=S)[n-]nc3C(F)(F)F)ccc2O1 ZINC000901133674 1309569045 /nfs/dbraw/zinc/56/90/45/1309569045.db2.gz NJSLHIQCRZJQTN-SSDOTTSWSA-N -1 0 328.319 2.791 20 30 EFEDRM CCCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])ccc1N(C)C ZINC000901134487 1309572063 /nfs/dbraw/zinc/57/20/63/1309572063.db2.gz XIMWWFQDMCNXSO-UHFFFAOYSA-N -1 0 347.444 2.556 20 30 EFEDRM Cc1nn(C(C)C)c(C)c1C=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000901134782 1309573817 /nfs/dbraw/zinc/57/38/17/1309573817.db2.gz ZWXZIAHSCHXXNL-UHFFFAOYSA-N -1 0 332.355 2.862 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C)cc(C#N)c2)cc1 ZINC001210391204 1314325758 /nfs/dbraw/zinc/32/57/58/1314325758.db2.gz MZJQRSZIULGQNK-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)ccc2N)c1 ZINC001210539912 1314348524 /nfs/dbraw/zinc/34/85/24/1314348524.db2.gz QDFDALZSCACLIU-UHFFFAOYSA-N -1 0 325.752 2.734 20 30 EFEDRM COc1cc(C(=O)[O-])cc(-c2nccc(/C=N/O)c2C(OC)OC)c1 ZINC001244174123 1314359118 /nfs/dbraw/zinc/35/91/18/1314359118.db2.gz BFBBFYUZRCYSGD-DJKKODMXSA-N -1 0 346.339 2.555 20 30 EFEDRM COc1cc(C(=O)[O-])cc(-c2cc(C#N)cc(OC)c2OC(C)=O)c1 ZINC001244176430 1314359580 /nfs/dbraw/zinc/35/95/80/1314359580.db2.gz OMAYLGHYEFKEKK-UHFFFAOYSA-N -1 0 341.319 2.866 20 30 EFEDRM N#Cc1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c(Cl)c1 ZINC001244329778 1314371850 /nfs/dbraw/zinc/37/18/50/1314371850.db2.gz FADFUMXYQFGZAN-UHFFFAOYSA-N -1 0 333.756 2.702 20 30 EFEDRM CCc1nc(C#N)c(C#N)nc1-c1cc(C(=O)[O-])c(Cl)cc1F ZINC001244611923 1314394884 /nfs/dbraw/zinc/39/48/84/1314394884.db2.gz HDJZNDZTNFRCLB-UHFFFAOYSA-N -1 0 330.706 2.940 20 30 EFEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2cc3n(n2)CCC3)cc1)C(=O)[O-] ZINC000901559943 1310667700 /nfs/dbraw/zinc/66/77/00/1310667700.db2.gz CDWLURNECAXYMB-LZGFCCKTSA-N -1 0 326.352 2.577 20 30 EFEDRM O=C([O-])CCOc1ccccc1/C=C/C(=O)c1cc2n(n1)CCC2 ZINC000901560828 1310668327 /nfs/dbraw/zinc/66/83/27/1310668327.db2.gz NSFZXHGFPVDAQN-BQYQJAHWSA-N -1 0 326.352 2.579 20 30 EFEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000901561517 1310670384 /nfs/dbraw/zinc/67/03/84/1310670384.db2.gz UCCBZEVIHDEHSO-KRZKBDHCSA-N -1 0 326.352 2.577 20 30 EFEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2cc3n(n2)CCC3)c1)C(=O)[O-] ZINC000901561516 1310670444 /nfs/dbraw/zinc/67/04/44/1310670444.db2.gz UCCBZEVIHDEHSO-GUOLPTJISA-N -1 0 326.352 2.577 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000750682436 1311088982 /nfs/dbraw/zinc/08/89/82/1311088982.db2.gz ZAKOWAOJULEFSM-XHDPSFHLSA-N -1 0 334.379 2.905 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])OCc1c(C)cc(C)cc1C ZINC001222901891 1311197585 /nfs/dbraw/zinc/19/75/85/1311197585.db2.gz WCDNFWPRONPCHM-OAHLLOKOSA-N -1 0 328.430 2.587 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)co1 ZINC000802039977 1311254718 /nfs/dbraw/zinc/25/47/18/1311254718.db2.gz CONQVQDFWNKVAX-ZDUSSCGKSA-N -1 0 327.340 2.597 20 30 EFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(C)n2)n1 ZINC000802056340 1311283355 /nfs/dbraw/zinc/28/33/55/1311283355.db2.gz KHXYBSQPZNEYML-LLVKDONJSA-N -1 0 329.381 2.822 20 30 EFEDRM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2ccc([S-])cc2)cc1C#N ZINC001276911018 1311290266 /nfs/dbraw/zinc/29/02/66/1311290266.db2.gz IRAWGKDAPDCSHF-HDICACEKSA-N -1 0 338.480 2.644 20 30 EFEDRM C[C@@H](O)CCCC(=O)O/C(=N\[O-])c1ccccc1Br ZINC001223884653 1311315206 /nfs/dbraw/zinc/31/52/06/1311315206.db2.gz OHTQAELIEDPEIA-ZVNCQBAKSA-N -1 0 330.178 2.679 20 30 EFEDRM COC(=O)[C@@H]1CCC[C@H](O/C(=N\[O-])c2cc(OC)ccc2OC)C1 ZINC001223891368 1311316615 /nfs/dbraw/zinc/31/66/15/1311316615.db2.gz IOWPMZRSVVBTHO-PWTBMBKCSA-N -1 0 337.372 2.588 20 30 EFEDRM CCCCOC(=O)[C@H](C)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223893480 1311317190 /nfs/dbraw/zinc/31/71/90/1311317190.db2.gz WQIRDQXIXJYVBZ-ISOHDOPZSA-N -1 0 325.361 2.588 20 30 EFEDRM CC1(C)CC(=O)C=C(NC(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1 ZINC001158956492 1311424100 /nfs/dbraw/zinc/42/41/00/1311424100.db2.gz MPZJBMMSQHRCEH-UHFFFAOYSA-N -1 0 345.733 2.740 20 30 EFEDRM CCCc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)co1 ZINC000802213363 1311468144 /nfs/dbraw/zinc/46/81/44/1311468144.db2.gz XOIBANMYOJPLQP-CQSZACIVSA-N -1 0 325.368 2.574 20 30 EFEDRM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc([S-])cc1 ZINC001225554275 1311542627 /nfs/dbraw/zinc/54/26/27/1311542627.db2.gz AVBZXLRVCKPFFY-UHFFFAOYSA-N -1 0 336.409 2.961 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1[n-]c(=O)c(F)cc1C#N ZINC001226015083 1311601533 /nfs/dbraw/zinc/60/15/33/1311601533.db2.gz FJOOYWJTPYMLQN-CYZMBNFOSA-N -1 0 349.362 2.717 20 30 EFEDRM N#Cc1cc(F)c(=O)[n-]c1OC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001226016990 1311601751 /nfs/dbraw/zinc/60/17/51/1311601751.db2.gz WZXSSBLNOVTFEW-ZDUSSCGKSA-N -1 0 327.315 2.760 20 30 EFEDRM CCOC(=O)[C@@H]1CC[C@@H](Oc2[n-]c(=O)cc(C(F)(F)F)c2C#N)C1 ZINC001226066293 1311608200 /nfs/dbraw/zinc/60/82/00/1311608200.db2.gz AAKWDLWDGNAZBA-RKDXNWHRSA-N -1 0 344.289 2.788 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H](C(=O)c2ccccn2)c2ccccn2)c1C#N ZINC001226221049 1311632434 /nfs/dbraw/zinc/63/24/34/1311632434.db2.gz HFDDBFXQTUDFAP-GOSISDBHSA-N -1 0 346.346 2.760 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C#N ZINC001226222225 1311632935 /nfs/dbraw/zinc/63/29/35/1311632935.db2.gz WMWYDTIGDFANSO-BZPMIXESSA-N -1 0 345.399 2.744 20 30 EFEDRM COC(=O)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1Cl ZINC001226223194 1311633002 /nfs/dbraw/zinc/63/30/02/1311633002.db2.gz MEZADJIDWGQTCW-CQSZACIVSA-N -1 0 332.743 2.914 20 30 EFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1C#N ZINC001226224001 1311633194 /nfs/dbraw/zinc/63/31/94/1311633194.db2.gz XQGCPLIRGZYSOJ-HUUCEWRRSA-N -1 0 338.411 2.967 20 30 EFEDRM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ncc(C(F)(F)F)cc1F ZINC001226257359 1311637548 /nfs/dbraw/zinc/63/75/48/1311637548.db2.gz ZJRPQAVTSIDQTR-NLLGPWJYSA-N -1 0 330.241 2.978 20 30 EFEDRM C=C[C@H](C#CC(C)(C)C)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226322279 1311647954 /nfs/dbraw/zinc/64/79/54/1311647954.db2.gz ALZLIDHDAFWTIX-LLVKDONJSA-N -1 0 348.355 2.855 20 30 EFEDRM C=C[C@@H](C#CC(C)(C)C)Oc1c(C(=O)OCC)c[nH]c(=O)c1[N+](=O)[O-] ZINC001226322280 1311648000 /nfs/dbraw/zinc/64/80/00/1311648000.db2.gz ALZLIDHDAFWTIX-NSHDSACASA-N -1 0 348.355 2.855 20 30 EFEDRM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(O)cc2S(=O)(=O)[O-])O1 ZINC001226413520 1311663269 /nfs/dbraw/zinc/66/32/69/1311663269.db2.gz RBLYDFRJDSZTDB-HOCLYGCPSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(O)cc2S(=O)(=O)[O-])O1 ZINC001226413519 1311663314 /nfs/dbraw/zinc/66/33/14/1311663314.db2.gz RBLYDFRJDSZTDB-GOEBONIOSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C[C@]1(C)CC[C@@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C(C)(C)O1 ZINC001226412017 1311663420 /nfs/dbraw/zinc/66/34/20/1311663420.db2.gz BGYOKHBHSCTHRX-GDBMZVCRSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C[C@]1(C)CC[C@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C(C)(C)O1 ZINC001226412018 1311663533 /nfs/dbraw/zinc/66/35/33/1311663533.db2.gz BGYOKHBHSCTHRX-GOEBONIOSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C[C@@]1(C)CC[C@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C(C)(C)O1 ZINC001226412019 1311663584 /nfs/dbraw/zinc/66/35/84/1311663584.db2.gz BGYOKHBHSCTHRX-HOCLYGCPSA-N -1 0 342.413 2.920 20 30 EFEDRM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc[n-]c(=O)c1Br ZINC001226719185 1311712323 /nfs/dbraw/zinc/71/23/23/1311712323.db2.gz JWYFBLURLVGUFG-MRVPVSSYSA-N -1 0 345.193 2.610 20 30 EFEDRM CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nnc1Br ZINC001227066392 1311757547 /nfs/dbraw/zinc/75/75/47/1311757547.db2.gz KEAORVFZHWFOJD-LLVKDONJSA-N -1 0 334.173 2.549 20 30 EFEDRM CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nnc1Br ZINC001227067475 1311757849 /nfs/dbraw/zinc/75/78/49/1311757849.db2.gz ZDHYWLJXBFTCSO-GFCCVEGCSA-N -1 0 348.200 2.939 20 30 EFEDRM C[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095935 1311761841 /nfs/dbraw/zinc/76/18/41/1311761841.db2.gz MKULFXPPOMWMNC-SNVBAGLBSA-N -1 0 331.404 2.892 20 30 EFEDRM C#C[C@H](Oc1ccc(S(=O)(=O)[O-])c2cccnc12)c1ccncc1 ZINC001227441326 1311807057 /nfs/dbraw/zinc/80/70/57/1311807057.db2.gz RUJQZMZOJQCYJE-AWEZNQCLSA-N -1 0 340.360 2.630 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(OCCCC)cc1 ZINC001227577783 1311823926 /nfs/dbraw/zinc/82/39/26/1311823926.db2.gz SBSAMMVWQDTEPY-MRXNPFEDSA-N -1 0 344.429 2.703 20 30 EFEDRM C=CCC[C@H](CC)Oc1[nH]c(=O)nc2nc(Br)[n-]c21 ZINC001227598231 1311826831 /nfs/dbraw/zinc/82/68/31/1311826831.db2.gz VSYDOUDLGKRBCE-ZETCQYMHSA-N -1 0 327.182 2.945 20 30 EFEDRM CSc1nc(O[C@@H](C#N)c2ccccc2F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227628242 1311833283 /nfs/dbraw/zinc/83/32/83/1311833283.db2.gz NNSKZTFDCUNZMX-VIFPVBQESA-N -1 0 336.304 2.595 20 30 EFEDRM C#C[C@H]1CCC[C@H]1Oc1c([O-])c(C(=O)OCC)oc1C(=O)OCC ZINC001227636983 1311834613 /nfs/dbraw/zinc/83/46/13/1311834613.db2.gz FOFKUVMSJOWNSO-WDEREUQCSA-N -1 0 336.340 2.519 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)c(Cl)c(C)c1 ZINC001227845108 1311864535 /nfs/dbraw/zinc/86/45/35/1311864535.db2.gz LWJDEWWBRFLMMX-ZDUSSCGKSA-N -1 0 334.821 2.795 20 30 EFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(-c2ccccn2)cc1 ZINC001227906119 1311872207 /nfs/dbraw/zinc/87/22/07/1311872207.db2.gz GALUNTKDSNUHBI-INIZCTEOSA-N -1 0 349.408 2.586 20 30 EFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccccc1C(=O)CCC ZINC001228024925 1311889706 /nfs/dbraw/zinc/88/97/06/1311889706.db2.gz QCFVWIYIKVWIDR-CYBMUJFWSA-N -1 0 342.413 2.507 20 30 EFEDRM C#C[C@H](C)Oc1c(-c2ccc(O)c(O)c2)oc2cc([O-])ccc2c1=O ZINC001228365991 1311937355 /nfs/dbraw/zinc/93/73/55/1311937355.db2.gz QEWWGLYLPXTJFB-JTQLQIEISA-N -1 0 338.315 2.977 20 30 EFEDRM O=c1cc(O)nc(O[C@@H](/C(=N\O)c2ccccc2)c2ccccc2)[n-]1 ZINC001228388508 1311940214 /nfs/dbraw/zinc/94/02/14/1311940214.db2.gz JSUUHEWXBOZREW-RRMQHPPMSA-N -1 0 337.335 2.886 20 30 EFEDRM Cc1[nH]c(C=NN[C@@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000802715338 1311950954 /nfs/dbraw/zinc/95/09/54/1311950954.db2.gz ZXDHABOTAWWPSV-NSHDSACASA-N -1 0 343.383 2.695 20 30 EFEDRM C#C[C@@H](CCC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228518577 1311959812 /nfs/dbraw/zinc/95/98/12/1311959812.db2.gz JHPXZGMLZWTKKG-ZDUSSCGKSA-N -1 0 342.347 2.921 20 30 EFEDRM C#C[C@H](Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1)C(C)C ZINC001228520995 1311960035 /nfs/dbraw/zinc/96/00/35/1311960035.db2.gz GWHMOTYXMYDLKT-INIZCTEOSA-N -1 0 342.347 2.777 20 30 EFEDRM C#C[C@@H](CC)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520027 1311960056 /nfs/dbraw/zinc/96/00/56/1311960056.db2.gz UDZOXRGDJDWVQI-LBPRGKRZSA-N -1 0 328.320 2.531 20 30 EFEDRM CCC#C[C@@H](C)Oc1cc(O)cc([O-])c1C(=O)c1ccc(O)c(O)c1 ZINC001228520280 1311960206 /nfs/dbraw/zinc/96/02/06/1311960206.db2.gz XVGMNMLWZXZVDZ-LLVKDONJSA-N -1 0 342.347 2.921 20 30 EFEDRM COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)CC(C)(C)S)cc1[O-] ZINC001228815718 1312004371 /nfs/dbraw/zinc/00/43/71/1312004371.db2.gz XVMBBPNURXWAQR-MRVPVSSYSA-N -1 0 329.374 2.953 20 30 EFEDRM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2[n-]c(=O)ccc2C#N)C1 ZINC001228898835 1312016961 /nfs/dbraw/zinc/01/69/61/1312016961.db2.gz MRUVBZZWUQHNKF-ZDUSSCGKSA-N -1 0 333.388 2.827 20 30 EFEDRM C[C@@H]1CC[C@H](Oc2[n-]c(=O)ccc2C#N)CN1C(=O)OC(C)(C)C ZINC001228902087 1312017853 /nfs/dbraw/zinc/01/78/53/1312017853.db2.gz PQTLTZPXCODJEH-YPMHNXCESA-N -1 0 333.388 2.826 20 30 EFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1[n-]c(=O)ccc1C#N ZINC001228905200 1312017988 /nfs/dbraw/zinc/01/79/88/1312017988.db2.gz LKJUSJHYRZHETN-YNEHKIRRSA-N -1 0 331.372 2.578 20 30 EFEDRM N#Cc1ccc(=O)[n-]c1O[C@H]1COc2c1cccc2Br ZINC001228906236 1312018237 /nfs/dbraw/zinc/01/82/37/1312018237.db2.gz ULRVGVKUXYDWSC-NSHDSACASA-N -1 0 333.141 2.934 20 30 EFEDRM C=C[C@@H](CCCC)Oc1nc[n-]c(=O)c1I ZINC001228933812 1312022854 /nfs/dbraw/zinc/02/28/54/1312022854.db2.gz RTCYKZZRNAZYIQ-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM C=C[C@@H](CCCC)Oc1nc(I)cc(=O)[n-]1 ZINC001228951072 1312026201 /nfs/dbraw/zinc/02/62/01/1312026201.db2.gz TVBWDSWDMCOJFW-QMMMGPOBSA-N -1 0 334.157 2.910 20 30 EFEDRM C=C[C@H](C)Oc1[n-]c(=O)nc2c(I)cccc12 ZINC001229112317 1312049776 /nfs/dbraw/zinc/04/97/76/1312049776.db2.gz QMOVFMYHMOUUHQ-ZETCQYMHSA-N -1 0 342.136 2.893 20 30 EFEDRM O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O[C@H]1CCOC1=O ZINC001229265118 1312069896 /nfs/dbraw/zinc/06/98/96/1312069896.db2.gz HULAXNHKSVLTLV-HJYWZVSTSA-N -1 0 340.331 2.688 20 30 EFEDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ccccc1C=Nc1ccc(F)cc1 ZINC001229374965 1312085710 /nfs/dbraw/zinc/08/57/10/1312085710.db2.gz VQGDCDNBKSYKCX-OAHLLOKOSA-N -1 0 345.326 2.707 20 30 EFEDRM N#CCN1CC[C@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229515758 1312108669 /nfs/dbraw/zinc/10/86/69/1312108669.db2.gz FPZJOWYMIMBWOI-AWEZNQCLSA-N -1 0 336.347 2.628 20 30 EFEDRM C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000802890726 1312112923 /nfs/dbraw/zinc/11/29/23/1312112923.db2.gz HIBWNHUIVLDFGO-KRWDZBQOSA-N -1 0 346.383 2.885 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000113651688 1312113790 /nfs/dbraw/zinc/11/37/90/1312113790.db2.gz XXTJSIBWQPRYII-INIZCTEOSA-N -1 0 335.363 2.819 20 30 EFEDRM N#CCCN1CC(Oc2ccc3c(c2)oc(=O)c2cc([O-])ccc32)C1 ZINC001229798329 1312142492 /nfs/dbraw/zinc/14/24/92/1312142492.db2.gz VNYMELAOOGUMTI-UHFFFAOYSA-N -1 0 336.347 2.628 20 30 EFEDRM Cc1cnc([N-]C(F)(F)c2cc(Cl)nc(Cl)c2C#N)c(=O)[nH]1 ZINC001162710538 1312157883 /nfs/dbraw/zinc/15/78/83/1312157883.db2.gz PUCWDRSLFNWNFT-UHFFFAOYSA-N -1 0 346.124 2.813 20 30 EFEDRM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc[n-]c(=O)c1Cl ZINC001230012009 1312170777 /nfs/dbraw/zinc/17/07/77/1312170777.db2.gz BREAADYCBVPTJY-JTQLQIEISA-N -1 0 341.795 2.780 20 30 EFEDRM C#C[C@H](COc1cccc(Cl)c1)Oc1nc[n-]c(=O)c1Cl ZINC001230018777 1312172360 /nfs/dbraw/zinc/17/23/60/1312172360.db2.gz TXWXPHWVSFMCJH-SNVBAGLBSA-N -1 0 325.151 2.949 20 30 EFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)s1 ZINC000803029444 1312216151 /nfs/dbraw/zinc/21/61/51/1312216151.db2.gz JXBLFBOZCMHACF-UHFFFAOYSA-N -1 0 348.430 2.953 20 30 EFEDRM Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803031622 1312217090 /nfs/dbraw/zinc/21/70/90/1312217090.db2.gz YFBHOBCJKUMDRR-UHFFFAOYSA-N -1 0 346.389 2.793 20 30 EFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000803032238 1312218038 /nfs/dbraw/zinc/21/80/38/1312218038.db2.gz SLDNSTQLCMKFEP-UHFFFAOYSA-N -1 0 339.438 2.689 20 30 EFEDRM C#CCCCCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000803055394 1312237098 /nfs/dbraw/zinc/23/70/98/1312237098.db2.gz CAAKKOHHDHEPDN-UHFFFAOYSA-N -1 0 327.833 2.522 20 30 EFEDRM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1ncnc2[nH]cc(C#N)c21 ZINC001163110314 1312243179 /nfs/dbraw/zinc/24/31/79/1312243179.db2.gz ZEWHVKCZRGBTPN-UHFFFAOYSA-N -1 0 331.339 2.773 20 30 EFEDRM C=CCc1ccc(NC(=O)C(C)(C)C)c(N[C@@H]2SC(=O)[N-]C2=O)n1 ZINC001163661757 1312356517 /nfs/dbraw/zinc/35/65/17/1312356517.db2.gz DHXKKNAMNGYCMQ-CYBMUJFWSA-N -1 0 348.428 2.516 20 30 EFEDRM N#Cc1c(Cl)cc(Br)cc1N[C@@H]1SC(=O)[N-]C1=O ZINC001163666918 1312357941 /nfs/dbraw/zinc/35/79/41/1312357941.db2.gz OWJBDRNLLVEBQN-SECBINFHSA-N -1 0 346.593 2.695 20 30 EFEDRM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2cc(F)ccc21 ZINC001230885987 1312380787 /nfs/dbraw/zinc/38/07/87/1312380787.db2.gz ZSYRYDCGQXRRQG-UHFFFAOYSA-N -1 0 334.347 2.627 20 30 EFEDRM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000903141744 1312402398 /nfs/dbraw/zinc/40/23/98/1312402398.db2.gz WWFNNPMAMNEEJL-UHFFFAOYSA-N -1 0 327.409 2.941 20 30 EFEDRM C=C[C@@H]1O[C@@H](Oc2cccc3oc(=S)[n-]c32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001231069230 1312422250 /nfs/dbraw/zinc/42/22/50/1312422250.db2.gz ZWRKSVCBEFZCRD-GZBPVQSJSA-N -1 0 335.381 2.926 20 30 EFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1C ZINC000903167909 1312424607 /nfs/dbraw/zinc/42/46/07/1312424607.db2.gz BRHUIADDMJUVHY-UHFFFAOYSA-N -1 0 338.458 2.871 20 30 EFEDRM CC(=O)[C@@H](C)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231227428 1312457370 /nfs/dbraw/zinc/45/73/70/1312457370.db2.gz FTEDHJKGXXONDH-SECBINFHSA-N -1 0 325.280 2.553 20 30 EFEDRM N#C[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001231228823 1312458056 /nfs/dbraw/zinc/45/80/56/1312458056.db2.gz WSHREBXAFNCAPX-CQSZACIVSA-N -1 0 333.231 2.991 20 30 EFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC2CCOCC2)c1C#N ZINC001231230535 1312458377 /nfs/dbraw/zinc/45/83/77/1312458377.db2.gz KCUBBZGNPJHICO-UHFFFAOYSA-N -1 0 339.307 2.755 20 30 EFEDRM N#C[C@@H]1CN(Cc2cc(Cl)c([O-])c(Br)c2)CCO1 ZINC001231747664 1312559851 /nfs/dbraw/zinc/55/98/51/1312559851.db2.gz SFWTUWBBZPHDMX-SECBINFHSA-N -1 0 331.597 2.532 20 30 EFEDRM N#CC[C@H]1CCCN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C1 ZINC001165076053 1312563395 /nfs/dbraw/zinc/56/33/95/1312563395.db2.gz APJFICCOUUQJBC-MRVPVSSYSA-N -1 0 330.722 2.503 20 30 EFEDRM N#Cc1ccccc1C=CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803407523 1312594735 /nfs/dbraw/zinc/59/47/35/1312594735.db2.gz HMOYIKCYSVNLDP-HJWRWDBZSA-N -1 0 331.335 2.701 20 30 EFEDRM COc1c(Nc2c(C#N)cnn2-c2ccccn2)cccc1C(=O)[O-] ZINC001211033380 1314426582 /nfs/dbraw/zinc/42/65/82/1314426582.db2.gz KSJQVUQGXWWAFN-UHFFFAOYSA-N -1 0 335.323 2.589 20 30 EFEDRM N#C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000118335044 1314463307 /nfs/dbraw/zinc/46/33/07/1314463307.db2.gz NFUZBZXIDQAPHX-AWEZNQCLSA-N -1 0 338.754 2.571 20 30 EFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1cccc(C(=O)[O-])c1C ZINC001245299931 1314466112 /nfs/dbraw/zinc/46/61/12/1314466112.db2.gz GXEWTCZCEJNEQX-DJKKODMXSA-N -1 0 330.340 2.855 20 30 EFEDRM CCOC(=O)c1cc(C#N)c(C)nc1-c1cc(CC(=O)[O-])ccc1F ZINC001245315896 1314468204 /nfs/dbraw/zinc/46/82/04/1314468204.db2.gz FFDHWUDIWGYPRX-UHFFFAOYSA-N -1 0 342.326 2.872 20 30 EFEDRM COc1ncnc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C#N ZINC001211484091 1314508497 /nfs/dbraw/zinc/50/84/97/1314508497.db2.gz HHTWPCOULZYPQZ-UHFFFAOYSA-N -1 0 338.245 2.817 20 30 EFEDRM Cc1nsc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1C#N ZINC001213179327 1314517319 /nfs/dbraw/zinc/51/73/19/1314517319.db2.gz JSYWEAMHWNCWDE-UHFFFAOYSA-N -1 0 330.369 2.870 20 30 EFEDRM N#Cc1cccc(-c2cc(=O)n(C(=O)c3nc4ccccc4o3)[n-]2)c1 ZINC001245937642 1314551595 /nfs/dbraw/zinc/55/15/95/1314551595.db2.gz QWYUAGJKRKPMMI-UHFFFAOYSA-N -1 0 330.303 2.957 20 30 EFEDRM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1nc(-c2ccc(C#N)cn2)no1 ZINC001213457258 1314556653 /nfs/dbraw/zinc/55/66/53/1314556653.db2.gz OGYOBSYOABVCIP-UHFFFAOYSA-N -1 0 344.334 2.870 20 30 EFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000178221359 1314643568 /nfs/dbraw/zinc/64/35/68/1314643568.db2.gz VDUCHEUCLHTXBQ-NSHDSACASA-N -1 0 346.726 2.681 20 30 EFEDRM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1OCC ZINC000119704344 1314690509 /nfs/dbraw/zinc/69/05/09/1314690509.db2.gz SRVOTTTZJHDPIJ-HNNXBMFYSA-N -1 0 344.411 2.865 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1sccc1Br ZINC000119872754 1314727324 /nfs/dbraw/zinc/72/73/24/1314727324.db2.gz GGHAGIHKFGOSLM-SECBINFHSA-N -1 0 341.230 2.892 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215105374 1314782236 /nfs/dbraw/zinc/78/22/36/1314782236.db2.gz ZITSHHJKZZSRGY-UHFFFAOYSA-N -1 0 335.298 2.991 20 30 EFEDRM COC(=O)c1sc(Nc2cc(C(=O)[O-])cnc2F)c(C#N)c1C ZINC001215119698 1314784282 /nfs/dbraw/zinc/78/42/82/1314784282.db2.gz GOUPHNAWLBECAX-UHFFFAOYSA-N -1 0 335.316 2.691 20 30 EFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cc(C(=O)[O-])cnc1F ZINC001215122984 1314784585 /nfs/dbraw/zinc/78/45/85/1314784585.db2.gz SDRNNNIJVRTVPR-UHFFFAOYSA-N -1 0 341.277 2.859 20 30 EFEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1cc(C(=O)[O-])cnc1F ZINC001215124400 1314785000 /nfs/dbraw/zinc/78/50/00/1314785000.db2.gz PMCXQNCLJFCVFN-UHFFFAOYSA-N -1 0 335.298 2.991 20 30 EFEDRM C=CCCNC(=S)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001247650182 1314814911 /nfs/dbraw/zinc/81/49/11/1314814911.db2.gz OUITYHMYMMFCBM-UHFFFAOYSA-N -1 0 336.438 2.949 20 30 EFEDRM CON(C)C(=O)c1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1 ZINC001215537423 1314847025 /nfs/dbraw/zinc/84/70/25/1314847025.db2.gz ADSVVTACNZJJAN-UHFFFAOYSA-N -1 0 333.294 2.919 20 30 EFEDRM COc1ccc(CN2CCOCC2)cc1Nc1scc([O-])c1C#N ZINC001215547543 1314849906 /nfs/dbraw/zinc/84/99/06/1314849906.db2.gz VSWIQPKRNACESU-UHFFFAOYSA-N -1 0 345.424 2.910 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(Cc3ccc(CC(=O)[O-])cc3)n2)c1 ZINC001248041641 1314884114 /nfs/dbraw/zinc/88/41/14/1314884114.db2.gz IPZWOCWIYHVFHJ-UHFFFAOYSA-N -1 0 337.310 2.965 20 30 EFEDRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc(C#N)c2C)cc1 ZINC001216176995 1314922232 /nfs/dbraw/zinc/92/22/32/1314922232.db2.gz SFBAPZZTTHJHJL-UHFFFAOYSA-N -1 0 345.380 2.655 20 30 EFEDRM N#Cc1cc(F)cc(-c2noc(-c3ccccc3S(=O)(=O)[O-])n2)c1 ZINC001216732098 1315000293 /nfs/dbraw/zinc/00/02/93/1315000293.db2.gz ILKFERBOCJCNIF-UHFFFAOYSA-N -1 0 345.311 2.661 20 30 EFEDRM Cc1cc(-c2noc(-c3ccccc3S(=O)(=O)[O-])n2)ccc1C#N ZINC001216732055 1315000757 /nfs/dbraw/zinc/00/07/57/1315000757.db2.gz GIPJNYGBELNEQF-UHFFFAOYSA-N -1 0 341.348 2.830 20 30 EFEDRM N#Cc1cccc(-c2nc(-c3ccc(OC4COC4)cc3)no2)c1[O-] ZINC001216979932 1315028099 /nfs/dbraw/zinc/02/80/99/1315028099.db2.gz MRPAIZSIWQSVHM-UHFFFAOYSA-N -1 0 335.319 2.758 20 30 EFEDRM N#Cc1ccc(-c2noc(-c3cc(=O)c4cccc(O)c4[n-]3)n2)nc1 ZINC001217367402 1315065849 /nfs/dbraw/zinc/06/58/49/1315065849.db2.gz JMLGGZQYOOQBQM-UHFFFAOYSA-N -1 0 331.291 2.630 20 30 EFEDRM Cc1cccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)n1 ZINC001217502829 1315079031 /nfs/dbraw/zinc/07/90/31/1315079031.db2.gz WOOXVIZFJSEJDQ-UHFFFAOYSA-N -1 0 329.319 2.820 20 30 EFEDRM COc1cccc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[n-]3)n2)n1 ZINC001217502575 1315079635 /nfs/dbraw/zinc/07/96/35/1315079635.db2.gz OHIOXFCHRKQURD-UHFFFAOYSA-N -1 0 345.318 2.520 20 30 EFEDRM COC(=O)C1(C#N)CCN(C(=S)[N-]c2ccccc2SC)CC1 ZINC001249702634 1315124902 /nfs/dbraw/zinc/12/49/02/1315124902.db2.gz YIZXVOAQCAFDAD-UHFFFAOYSA-N -1 0 349.481 2.884 20 30 EFEDRM N#Cc1cnn(C2CCOCC2)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249960552 1315160307 /nfs/dbraw/zinc/16/03/07/1315160307.db2.gz NNWQXTXEDAYWQL-UHFFFAOYSA-N -1 0 338.289 2.973 20 30 EFEDRM CCOC(=O)CN(CCC#N)Cc1cc([O-])c(Cl)c(F)c1F ZINC001250414668 1315209011 /nfs/dbraw/zinc/20/90/11/1315209011.db2.gz JNTNPZUMYLCREO-UHFFFAOYSA-N -1 0 332.734 2.603 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cccs1 ZINC001250874956 1315285710 /nfs/dbraw/zinc/28/57/10/1315285710.db2.gz QYYPQDWHQUKOHA-UHFFFAOYSA-N -1 0 330.394 2.606 20 30 EFEDRM CCC(C#N)(CC)[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC001251252857 1315335480 /nfs/dbraw/zinc/33/54/80/1315335480.db2.gz FDFJWQYBDFERCA-UHFFFAOYSA-N -1 0 342.289 2.743 20 30 EFEDRM N#C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251411960 1315347014 /nfs/dbraw/zinc/34/70/14/1315347014.db2.gz QRZRRBFUNHYBEE-SECBINFHSA-N -1 0 335.212 2.766 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001251531668 1315353700 /nfs/dbraw/zinc/35/37/00/1315353700.db2.gz ZKFGKUVZSNJKTB-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM C#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC001251538193 1315353731 /nfs/dbraw/zinc/35/37/31/1315353731.db2.gz YOHILBSVSRLJMV-UHFFFAOYSA-N -1 0 337.198 2.626 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1 ZINC001251803705 1315379263 /nfs/dbraw/zinc/37/92/63/1315379263.db2.gz RRXOANGTIORWIN-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C#N)cc1 ZINC001251808058 1315379356 /nfs/dbraw/zinc/37/93/56/1315379356.db2.gz FUSXPSNNWYZHHN-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C)c2C#N)cc1 ZINC001251849319 1315381952 /nfs/dbraw/zinc/38/19/52/1315381952.db2.gz UMFIEEWVSZLPRC-UHFFFAOYSA-N -1 0 343.408 2.934 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2nc(Cl)cc(C)c2C#N)cc1 ZINC001251893679 1315385440 /nfs/dbraw/zinc/38/54/40/1315385440.db2.gz POKCYEMGWXBJEO-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C#N)CCN(C)C3)cc1 ZINC001252093017 1315412353 /nfs/dbraw/zinc/41/23/53/1315412353.db2.gz SNXMSHLVHRBDRZ-UHFFFAOYSA-N -1 0 347.465 2.717 20 30 EFEDRM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(F)c1)C(F)(F)F ZINC001252267154 1315424932 /nfs/dbraw/zinc/42/49/32/1315424932.db2.gz KRQNNEUCELFCJQ-UHFFFAOYSA-N -1 0 327.177 2.986 20 30 EFEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001252347296 1315437301 /nfs/dbraw/zinc/43/73/01/1315437301.db2.gz RMPNYFRSTZUQSN-UHFFFAOYSA-N -1 0 329.097 2.582 20 30 EFEDRM N#Cc1ccc(C[N-]S(=O)(=O)C(F)(F)F)c(C(F)(F)F)c1 ZINC001252401122 1315447479 /nfs/dbraw/zinc/44/74/79/1315447479.db2.gz LOYPZEKJZPMJFX-UHFFFAOYSA-N -1 0 332.225 2.516 20 30 EFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCCc1cn[nH]n1 ZINC000195265655 1315467400 /nfs/dbraw/zinc/46/74/00/1315467400.db2.gz VIMAJLSESZRSIJ-OAHLLOKOSA-N -1 0 349.394 2.899 20 30 EFEDRM N#Cc1ccc([N-]S(=O)(=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC001253183273 1315577620 /nfs/dbraw/zinc/57/76/20/1315577620.db2.gz CAWNAZIWGDBCTD-UHFFFAOYSA-N -1 0 332.225 2.881 20 30 EFEDRM N#Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)CC(F)(F)F ZINC001253198569 1315579914 /nfs/dbraw/zinc/57/99/14/1315579914.db2.gz KVTHDZPJFRCNKC-UHFFFAOYSA-N -1 0 348.224 2.761 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001253210391 1315581295 /nfs/dbraw/zinc/58/12/95/1315581295.db2.gz LGRUPKZXCSBNJS-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM O=S(=O)(CC(F)(F)F)[N-]Cc1cc(C(F)(F)F)ccc1F ZINC001253218197 1315582183 /nfs/dbraw/zinc/58/21/83/1315582183.db2.gz OSSGDRNUFLCKBH-UHFFFAOYSA-N -1 0 339.232 2.826 20 30 EFEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C#N)c(C)cc1C ZINC001254057521 1315669607 /nfs/dbraw/zinc/66/96/07/1315669607.db2.gz YEYNDYGCQCTVNS-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM CCCCCCCCCc1cn(CCOCCOCC(=O)[O-])nn1 ZINC001254090461 1315672255 /nfs/dbraw/zinc/67/22/55/1315672255.db2.gz MDODZJLLPPAVPI-UHFFFAOYSA-N -1 0 341.452 2.689 20 30 EFEDRM C#Cc1cccc(-c2cn(-c3cc4ccc([O-])cc4oc3=O)nn2)c1 ZINC001254164172 1315677422 /nfs/dbraw/zinc/67/74/22/1315677422.db2.gz LVTULXIJABYPGM-UHFFFAOYSA-N -1 0 329.315 2.728 20 30 EFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC001254208907 1315682637 /nfs/dbraw/zinc/68/26/37/1315682637.db2.gz YCKYLNNLRAEXGM-UHFFFAOYSA-N -1 0 326.299 2.883 20 30 EFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)c2ccccc2C)c1C#N ZINC001254520104 1315715593 /nfs/dbraw/zinc/71/55/93/1315715593.db2.gz OTJRCDYOKNFOOV-UHFFFAOYSA-N -1 0 348.380 2.746 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254881038 1315754499 /nfs/dbraw/zinc/75/44/99/1315754499.db2.gz UMIBQPQUCDOKSF-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM CCc1ccc(S(=O)(=O)[N-]c2nc3ncccc3cc2C#N)cc1 ZINC001255017733 1315772334 /nfs/dbraw/zinc/77/23/34/1315772334.db2.gz DUZFCQMJUBFCFE-UHFFFAOYSA-N -1 0 338.392 2.865 20 30 EFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255575115 1315842509 /nfs/dbraw/zinc/84/25/09/1315842509.db2.gz KGIQWAFUOAKMCA-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC001255733499 1315862851 /nfs/dbraw/zinc/86/28/51/1315862851.db2.gz USUISXPFCVHNOJ-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1cc(C#N)ccc1[O-])C2 ZINC001278894410 1315877391 /nfs/dbraw/zinc/87/73/91/1315877391.db2.gz BUVDZEGBACXJEV-GOSISDBHSA-N -1 0 349.434 2.573 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)o1 ZINC001256147784 1315909433 /nfs/dbraw/zinc/90/94/33/1315909433.db2.gz OAEBZMOSAKTDFW-UHFFFAOYSA-N -1 0 325.777 2.926 20 30 EFEDRM C=CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC001256551932 1315955463 /nfs/dbraw/zinc/95/54/63/1315955463.db2.gz YHOCTWDGCHFOCF-HNNXBMFYSA-N -1 0 331.412 2.961 20 30 EFEDRM C=CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001256551007 1315955558 /nfs/dbraw/zinc/95/55/58/1315955558.db2.gz MDEOLQDILWUSJM-WCBMZHEXSA-N -1 0 332.183 2.906 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccc(N(C)c2ccccc2)nc1)C(=O)[O-] ZINC001256550942 1315955968 /nfs/dbraw/zinc/95/59/68/1315955968.db2.gz LZEPMLFODLUDGG-OAHLLOKOSA-N -1 0 325.368 2.609 20 30 EFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC001256581052 1315963600 /nfs/dbraw/zinc/96/36/00/1315963600.db2.gz MRSZFUNVMBFESX-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM Cc1nc(C#N)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC001256585040 1315965063 /nfs/dbraw/zinc/96/50/63/1315965063.db2.gz CDPZFPDYUYOZEK-UHFFFAOYSA-N -1 0 331.275 2.674 20 30 EFEDRM Cc1c(C#N)cccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001256644166 1315974798 /nfs/dbraw/zinc/97/47/98/1315974798.db2.gz FKCQLSIUTKWJDI-UHFFFAOYSA-N -1 0 332.157 2.982 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#N)cc1OC ZINC001257000363 1316020590 /nfs/dbraw/zinc/02/05/90/1316020590.db2.gz MVKIDDXDEJVRMB-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(SCc2csc(C)n2)cc1 ZINC000133473018 1316032482 /nfs/dbraw/zinc/03/24/82/1316032482.db2.gz FIFLVYTYMLWVCA-AWEZNQCLSA-N -1 0 345.449 2.812 20 30 EFEDRM N#Cc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC001257818171 1316095000 /nfs/dbraw/zinc/09/50/00/1316095000.db2.gz NDRXQRMWODSMBE-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C#N ZINC001258039676 1316114519 /nfs/dbraw/zinc/11/45/19/1316114519.db2.gz XLAOHIPQEFDMCK-UHFFFAOYSA-N -1 0 330.369 2.516 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(F)cc2)cc1 ZINC001258039017 1316114684 /nfs/dbraw/zinc/11/46/84/1316114684.db2.gz IOTYDLVYAUJSQU-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC001258039195 1316114747 /nfs/dbraw/zinc/11/47/47/1316114747.db2.gz MLUMVFLXSGNDGT-UHFFFAOYSA-N -1 0 326.381 2.555 20 30 EFEDRM Cc1nc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccn2c1C ZINC001258053649 1316115624 /nfs/dbraw/zinc/11/56/24/1316115624.db2.gz IPVOIUNPFFORFM-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258116128 1316119756 /nfs/dbraw/zinc/11/97/56/1316119756.db2.gz DODWMJUFJZTIBI-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258126557 1316122263 /nfs/dbraw/zinc/12/22/63/1316122263.db2.gz RTCPDIOLIMTAAG-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(C)=O)c1 ZINC001258135927 1316124045 /nfs/dbraw/zinc/12/40/45/1316124045.db2.gz KQOFGQZGYIJLFB-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2O)s1 ZINC001258185215 1316129028 /nfs/dbraw/zinc/12/90/28/1316129028.db2.gz NOPAPUWEEAUMDP-UHFFFAOYSA-N -1 0 331.378 2.674 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC001258202067 1316131033 /nfs/dbraw/zinc/13/10/33/1316131033.db2.gz WWYPTNPGLYBWJQ-UHFFFAOYSA-N -1 0 342.424 2.744 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CCC2)nc1 ZINC001258201479 1316131142 /nfs/dbraw/zinc/13/11/42/1316131142.db2.gz DGHQRZUGNIWZNJ-UHFFFAOYSA-N -1 0 343.408 2.933 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ncccc1OC(F)(F)F ZINC001258208530 1316131430 /nfs/dbraw/zinc/13/14/30/1316131430.db2.gz SUKVDHDVPJAJQC-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM CCCCOc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccn1 ZINC001258208308 1316131617 /nfs/dbraw/zinc/13/16/17/1316131617.db2.gz LOWCSODMRVEGJH-UHFFFAOYSA-N -1 0 331.397 2.933 20 30 EFEDRM COC(Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N)OC ZINC001258273938 1316135729 /nfs/dbraw/zinc/13/57/29/1316135729.db2.gz ULFOFUUAYXAZHK-UHFFFAOYSA-N -1 0 346.408 2.520 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)Nc1cc([O-])c(Cl)cc1F ZINC001258274017 1316135863 /nfs/dbraw/zinc/13/58/63/1316135863.db2.gz XXOIPSBYZGMLJR-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258273866 1316135880 /nfs/dbraw/zinc/13/58/80/1316135880.db2.gz PVMWBOQIBUJGOU-UHFFFAOYSA-N -1 0 330.365 2.570 20 30 EFEDRM Cc1ccc(CCCO)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258283585 1316136243 /nfs/dbraw/zinc/13/62/43/1316136243.db2.gz ZUEQURWJTPEWQJ-UHFFFAOYSA-N -1 0 330.409 2.592 20 30 EFEDRM COC(Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)OC ZINC001258290300 1316137391 /nfs/dbraw/zinc/13/73/91/1316137391.db2.gz OGIZNDVGFSGXMN-UHFFFAOYSA-N -1 0 346.408 2.520 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2ccc(=O)[nH]c21 ZINC001258290187 1316137459 /nfs/dbraw/zinc/13/74/59/1316137459.db2.gz JYBPDJPJHNIRRQ-UHFFFAOYSA-N -1 0 325.349 2.613 20 30 EFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258833414 1316182551 /nfs/dbraw/zinc/18/25/51/1316182551.db2.gz RBENDELMZNKXKM-UHFFFAOYSA-N -1 0 343.195 2.764 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC001258927164 1316192848 /nfs/dbraw/zinc/19/28/48/1316192848.db2.gz LELPXYCQQIOVRN-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc(F)c1F ZINC001258947428 1316195248 /nfs/dbraw/zinc/19/52/48/1316195248.db2.gz ILTKKYONFRBYFN-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC001258959162 1316197310 /nfs/dbraw/zinc/19/73/10/1316197310.db2.gz KNUJRFUHHOMUQE-UHFFFAOYSA-N -1 0 346.408 2.939 20 30 EFEDRM CC(C)C[C@](C)(C#N)NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258991958 1316199476 /nfs/dbraw/zinc/19/94/76/1316199476.db2.gz UBZONPIELLVRMS-KBRIMQKVSA-N -1 0 340.489 2.630 20 30 EFEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc(F)c1F ZINC001259068927 1316204054 /nfs/dbraw/zinc/20/40/54/1316204054.db2.gz ATOWJAVVMQFCNF-UHFFFAOYSA-N -1 0 330.262 2.915 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259074483 1316205500 /nfs/dbraw/zinc/20/55/00/1316205500.db2.gz XCJHFROUEHBPCW-UHFFFAOYSA-N -1 0 347.705 2.825 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C#N)c1 ZINC001259103717 1316209915 /nfs/dbraw/zinc/20/99/15/1316209915.db2.gz SHLAXJUYIHXLFB-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccn3ccnc23)c(Cl)c1 ZINC001259107274 1316210605 /nfs/dbraw/zinc/21/06/05/1316210605.db2.gz OKXYHGXLBNUYDC-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107496 1316210687 /nfs/dbraw/zinc/21/06/87/1316210687.db2.gz AKELDHZZYJKFER-UHFFFAOYSA-N -1 0 332.772 2.588 20 30 EFEDRM COc1nc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107153 1316210708 /nfs/dbraw/zinc/21/07/08/1316210708.db2.gz HHUMDAQVCXISHD-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn3nccc3c2)c(Cl)c1 ZINC001259107419 1316210710 /nfs/dbraw/zinc/21/07/10/1316210710.db2.gz WMCPIXNTCKCDDR-UHFFFAOYSA-N -1 0 332.772 2.660 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107512 1316210729 /nfs/dbraw/zinc/21/07/29/1316210729.db2.gz BLXIHMQVQMOJNV-UHFFFAOYSA-N -1 0 349.803 2.662 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2O)c(Cl)c1 ZINC001259112473 1316211071 /nfs/dbraw/zinc/21/10/71/1316211071.db2.gz MHPXPFXDIBJOAO-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cnncc32)c(Cl)c1 ZINC001259112449 1316211117 /nfs/dbraw/zinc/21/11/17/1316211117.db2.gz KDJRXEDPAMEPHD-UHFFFAOYSA-N -1 0 344.783 2.956 20 30 EFEDRM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)(F)F)c(Cl)c1 ZINC001259113718 1316211148 /nfs/dbraw/zinc/21/11/48/1316211148.db2.gz HMCSGFONVKTBRB-UHFFFAOYSA-N -1 0 348.680 2.688 20 30 EFEDRM Cn1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc2n1 ZINC001259112208 1316211234 /nfs/dbraw/zinc/21/12/34/1316211234.db2.gz TUTWZKBSVFKBGW-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cn1cnc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc21 ZINC001259112444 1316211274 /nfs/dbraw/zinc/21/12/74/1316211274.db2.gz JEAWVCCUYMKWGW-UHFFFAOYSA-N -1 0 346.799 2.899 20 30 EFEDRM Cc1nc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccn2c1C ZINC001259119387 1316211641 /nfs/dbraw/zinc/21/16/41/1316211641.db2.gz XJQLRJNHRVMBCQ-UHFFFAOYSA-N -1 0 326.381 2.624 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)c1 ZINC001259118754 1316211681 /nfs/dbraw/zinc/21/16/81/1316211681.db2.gz PYXYNLBXZGFGFF-UHFFFAOYSA-N -1 0 329.381 2.543 20 30 EFEDRM COc1cccc2ncc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC001259118606 1316211703 /nfs/dbraw/zinc/21/17/03/1316211703.db2.gz MFPSCSGLUIZGDU-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnc(Br)s2)c1 ZINC001259118227 1316211712 /nfs/dbraw/zinc/21/17/12/1316211712.db2.gz BHVONDPQPYAYBA-UHFFFAOYSA-N -1 0 344.215 2.578 20 30 EFEDRM COc1cccc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)cnc21 ZINC001259118944 1316211824 /nfs/dbraw/zinc/21/18/24/1316211824.db2.gz YHMIHJKJAKTUPS-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cccnc2OC(F)(F)F)c1 ZINC001259118853 1316211837 /nfs/dbraw/zinc/21/18/37/1316211837.db2.gz TTYFRAMLYWBBNB-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM COC(=O)c1cc(C)c(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125774 1316212338 /nfs/dbraw/zinc/21/23/38/1316212338.db2.gz RFKQZXDXRYTQHG-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CC(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124758 1316212398 /nfs/dbraw/zinc/21/23/98/1316212398.db2.gz KFYZFYRYBOWBHW-UHFFFAOYSA-N -1 0 344.392 2.924 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001259198106 1316218962 /nfs/dbraw/zinc/21/89/62/1316218962.db2.gz BOLRSWOUJQBXNY-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1 ZINC001259204992 1316220086 /nfs/dbraw/zinc/22/00/86/1316220086.db2.gz CCNYOPWDSGHREP-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C#N ZINC001259205269 1316220418 /nfs/dbraw/zinc/22/04/18/1316220418.db2.gz KDLJCMMURIWAGJ-UHFFFAOYSA-N -1 0 338.335 2.954 20 30 EFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259216483 1316221975 /nfs/dbraw/zinc/22/19/75/1316221975.db2.gz CPOQGFRUEQUJMM-UHFFFAOYSA-N -1 0 335.784 2.764 20 30 EFEDRM N#Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)c1ccccn1 ZINC001259288444 1316225545 /nfs/dbraw/zinc/22/55/45/1316225545.db2.gz QXGKGSIMONEMEG-UHFFFAOYSA-N -1 0 327.287 2.773 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1nc(Cl)cc(C)c1C#N ZINC001259295590 1316226346 /nfs/dbraw/zinc/22/63/46/1316226346.db2.gz HRFLGZRHMQLUNM-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c2ncccc12 ZINC001259301692 1316227213 /nfs/dbraw/zinc/22/72/13/1316227213.db2.gz WDWHAJDSASSVKT-UHFFFAOYSA-N -1 0 339.376 2.916 20 30 EFEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cn1 ZINC001259306206 1316228118 /nfs/dbraw/zinc/22/81/18/1316228118.db2.gz KMZIRZRAMNTFOT-UHFFFAOYSA-N -1 0 337.351 2.962 20 30 EFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001259306754 1316228147 /nfs/dbraw/zinc/22/81/47/1316228147.db2.gz RRQGKSWSIBGZCK-UHFFFAOYSA-N -1 0 329.715 2.686 20 30 EFEDRM O=S(=O)([N-]C(C(F)(F)F)C(F)(F)F)c1cc(F)cc(F)c1 ZINC001259315125 1316229629 /nfs/dbraw/zinc/22/96/29/1316229629.db2.gz SOESCCNXVVDGPW-UHFFFAOYSA-N -1 0 343.195 2.736 20 30 EFEDRM C#Cc1cc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1F ZINC001259369796 1316234149 /nfs/dbraw/zinc/23/41/49/1316234149.db2.gz UWHBZWATECDPCK-UHFFFAOYSA-N -1 0 341.367 2.794 20 30 EFEDRM Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370447 1316234418 /nfs/dbraw/zinc/23/44/18/1316234418.db2.gz POWLYOLTRGBQRF-UHFFFAOYSA-N -1 0 338.392 2.853 20 30 EFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C#N ZINC001259383663 1316235158 /nfs/dbraw/zinc/23/51/58/1316235158.db2.gz NGDSQHMCGJFMLM-UHFFFAOYSA-N -1 0 329.337 2.514 20 30 EFEDRM Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001259402454 1316238505 /nfs/dbraw/zinc/23/85/05/1316238505.db2.gz VMHWTKVPPHTFHL-UHFFFAOYSA-N -1 0 331.397 2.850 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2C(F)(F)F)ccc1F ZINC001259411822 1316239161 /nfs/dbraw/zinc/23/91/61/1316239161.db2.gz FQQYIQZPRXLZOS-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)ccc1F ZINC001259412319 1316239324 /nfs/dbraw/zinc/23/93/24/1316239324.db2.gz BPSVEPINUZBMEZ-UHFFFAOYSA-N -1 0 342.355 2.684 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)ccc1F ZINC001259411437 1316239351 /nfs/dbraw/zinc/23/93/51/1316239351.db2.gz WMYATKRPMPPOLQ-UHFFFAOYSA-N -1 0 345.277 2.912 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncnc3sccc32)ccc1F ZINC001259411987 1316239502 /nfs/dbraw/zinc/23/95/02/1316239502.db2.gz NQUDIWIDIYFNCF-UHFFFAOYSA-N -1 0 334.357 2.503 20 30 EFEDRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259413283 1316239663 /nfs/dbraw/zinc/23/96/63/1316239663.db2.gz ASTJJUNBOOQHCF-UHFFFAOYSA-N -1 0 334.376 2.728 20 30 EFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)ccc1F ZINC001259413737 1316239954 /nfs/dbraw/zinc/23/99/54/1316239954.db2.gz YSXYRIJDLQMLOG-UHFFFAOYSA-N -1 0 347.371 2.682 20 30 EFEDRM COc1cccc(OC)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417104 1316240038 /nfs/dbraw/zinc/24/00/38/1316240038.db2.gz HIMVMDJDJLHAHJ-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1F ZINC001259419110 1316240399 /nfs/dbraw/zinc/24/03/99/1316240399.db2.gz JJSUYWLPLUSQFL-UHFFFAOYSA-N -1 0 333.319 2.817 20 30 EFEDRM COc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)ccc1[S-] ZINC001259419002 1316240523 /nfs/dbraw/zinc/24/05/23/1316240523.db2.gz CAWSDMRPHVWZPQ-UHFFFAOYSA-N -1 0 338.385 2.795 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)c1C#N ZINC001259437613 1316243003 /nfs/dbraw/zinc/24/30/03/1316243003.db2.gz RESSRJPFNVXMLB-UHFFFAOYSA-N -1 0 345.352 2.725 20 30 EFEDRM Cc1cnc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259464504 1316246891 /nfs/dbraw/zinc/24/68/91/1316246891.db2.gz QHMKPKCEHKEKBQ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259469431 1316247414 /nfs/dbraw/zinc/24/74/14/1316247414.db2.gz JKWRGKKTTNIMBE-UHFFFAOYSA-N -1 0 326.736 2.857 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C#N ZINC001259494481 1316251261 /nfs/dbraw/zinc/25/12/61/1316251261.db2.gz UEUXBLRINMVXPV-UHFFFAOYSA-N -1 0 333.316 2.541 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259500064 1316251994 /nfs/dbraw/zinc/25/19/94/1316251994.db2.gz FNIDZFRRNKMXBK-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259506717 1316253178 /nfs/dbraw/zinc/25/31/78/1316253178.db2.gz FLSOIEXEAGQGCD-UHFFFAOYSA-N -1 0 342.783 2.929 20 30 EFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(C#N)c1 ZINC001259638423 1316265487 /nfs/dbraw/zinc/26/54/87/1316265487.db2.gz GSTMCAIZXBGQPA-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM CCn1cc(S(=O)(=O)[N-]c2sc3ccccc3c2C#N)cn1 ZINC001259832793 1316284528 /nfs/dbraw/zinc/28/45/28/1316284528.db2.gz YYNWUMNWSLXFMY-UHFFFAOYSA-N -1 0 332.410 2.790 20 30 EFEDRM C=CCS(=O)(=O)[N-]c1c(C(=O)OC)sc2cccc(OC)c21 ZINC001259922404 1316298215 /nfs/dbraw/zinc/29/82/15/1316298215.db2.gz FWIWHGSSURECCG-UHFFFAOYSA-N -1 0 341.410 2.624 20 30 EFEDRM C=CCS(=O)(=O)N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001259934327 1316299366 /nfs/dbraw/zinc/29/93/66/1316299366.db2.gz NBYJDURGHVQCCY-OAHLLOKOSA-N -1 0 327.833 2.784 20 30 EFEDRM C=CCS(=O)(=O)N[C@@H](C(=O)OCC)c1cccc2ccccc21 ZINC001259934425 1316299521 /nfs/dbraw/zinc/29/95/21/1316299521.db2.gz RBJNSAQKEGIKMK-MRXNPFEDSA-N -1 0 333.409 2.549 20 30 EFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)c1 ZINC001259996890 1316304501 /nfs/dbraw/zinc/30/45/01/1316304501.db2.gz SCSOUZLLIALSBY-UHFFFAOYSA-N -1 0 347.377 2.781 20 30 EFEDRM COc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260039089 1316310130 /nfs/dbraw/zinc/31/01/30/1316310130.db2.gz NCPAWFAHJLGXEA-UHFFFAOYSA-N -1 0 337.788 2.557 20 30 EFEDRM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044178 1316310634 /nfs/dbraw/zinc/31/06/34/1316310634.db2.gz GPBWWLFMTQWKMY-UHFFFAOYSA-N -1 0 344.392 2.595 20 30 EFEDRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260045411 1316311059 /nfs/dbraw/zinc/31/10/59/1316311059.db2.gz PUQZFAYJJJLKLW-UHFFFAOYSA-N -1 0 338.335 2.787 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1sccc1C ZINC001260067979 1316312715 /nfs/dbraw/zinc/31/27/15/1316312715.db2.gz SMZLIJZGXXBSKM-UHFFFAOYSA-N -1 0 336.394 2.516 20 30 EFEDRM Cc1nsc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1C#N ZINC001260128089 1316317451 /nfs/dbraw/zinc/31/74/51/1316317451.db2.gz QYMOIZAWCDYJTQ-UHFFFAOYSA-N -1 0 344.421 2.981 20 30 EFEDRM C=CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC001260255866 1316326261 /nfs/dbraw/zinc/32/62/61/1316326261.db2.gz ZKOXXXQDPFJAGQ-UHFFFAOYSA-N -1 0 326.162 2.582 20 30 EFEDRM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1C#N ZINC001260296765 1316329779 /nfs/dbraw/zinc/32/97/79/1316329779.db2.gz FYPYGZUAJHPJNR-UHFFFAOYSA-N -1 0 332.381 2.685 20 30 EFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)cnc1C#N ZINC001260293175 1316329983 /nfs/dbraw/zinc/32/99/83/1316329983.db2.gz QICYKYQEZJWUEH-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM O=C(/C=C/NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001260314946 1316331792 /nfs/dbraw/zinc/33/17/92/1316331792.db2.gz KFPLOMFAMLLEOI-ONEGZZNKSA-N -1 0 348.129 2.917 20 30 EFEDRM C#CCNS(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001260338905 1316332283 /nfs/dbraw/zinc/33/22/83/1316332283.db2.gz SZWVVKCEWYBGHM-UHFFFAOYSA-N -1 0 332.130 2.924 20 30 EFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC001260353630 1316333640 /nfs/dbraw/zinc/33/36/40/1316333640.db2.gz DGQQTWBZONCRJM-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1C#N ZINC001260387768 1316336493 /nfs/dbraw/zinc/33/64/93/1316336493.db2.gz QQTJIUFCZPGCSL-UHFFFAOYSA-N -1 0 330.394 2.672 20 30 EFEDRM CCCCCCCN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260396666 1316336940 /nfs/dbraw/zinc/33/69/40/1316336940.db2.gz UWSPLPDJMASPHZ-UHFFFAOYSA-N -1 0 329.418 2.681 20 30 EFEDRM Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl ZINC001260442013 1316338993 /nfs/dbraw/zinc/33/89/93/1316338993.db2.gz GKJCYTMUBNGBCD-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260495611 1316342105 /nfs/dbraw/zinc/34/21/05/1316342105.db2.gz DMEJFQQXHJBCAY-UHFFFAOYSA-N -1 0 343.286 2.653 20 30 EFEDRM N#Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC001260528238 1316343585 /nfs/dbraw/zinc/34/35/85/1316343585.db2.gz VURAGCCGUZZSMF-UHFFFAOYSA-N -1 0 342.405 2.878 20 30 EFEDRM Cc1nc(S(=O)(=O)[N-]c2oc(-c3ccccc3)cc2C#N)cn1C ZINC001260542639 1316344970 /nfs/dbraw/zinc/34/49/70/1316344970.db2.gz ZNWBQFZUOTZULU-UHFFFAOYSA-N -1 0 342.380 2.661 20 30 EFEDRM CC(C)(C)c1noc([N-]S(=O)(=O)Cc2ccccc2F)c1C#N ZINC001260622493 1316349236 /nfs/dbraw/zinc/34/92/36/1316349236.db2.gz KNZGMOXNRRAWRM-UHFFFAOYSA-N -1 0 337.376 2.925 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1C ZINC001260633197 1316351063 /nfs/dbraw/zinc/35/10/63/1316351063.db2.gz BVFPXHLLDDYCCQ-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1c(C#N)cccc1OC ZINC001260650078 1316354255 /nfs/dbraw/zinc/35/42/55/1316354255.db2.gz SMAQGWIYMPFVBE-UHFFFAOYSA-N -1 0 336.344 2.515 20 30 EFEDRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C#N ZINC001260650908 1316354574 /nfs/dbraw/zinc/35/45/74/1316354574.db2.gz MULYEMIACFNARQ-UHFFFAOYSA-N -1 0 342.298 2.785 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]c2scc(C)c2C#N)cc1F ZINC001260655683 1316355559 /nfs/dbraw/zinc/35/55/59/1316355559.db2.gz WJDXIIHTJLRMLK-UHFFFAOYSA-N -1 0 326.374 2.877 20 30 EFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)c1ccc(C)s1 ZINC001260678892 1316357905 /nfs/dbraw/zinc/35/79/05/1316357905.db2.gz OTEAMDRLFVYNTF-UHFFFAOYSA-N -1 0 342.423 2.577 20 30 EFEDRM COc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)s2)cc1OC ZINC001260683966 1316358316 /nfs/dbraw/zinc/35/83/16/1316358316.db2.gz LBWXJNBSACBXTR-UHFFFAOYSA-N -1 0 338.410 2.746 20 30 EFEDRM COc1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c1C#N ZINC001260771539 1316367094 /nfs/dbraw/zinc/36/70/94/1316367094.db2.gz QTDGYJFHJKRRFK-UHFFFAOYSA-N -1 0 346.408 2.993 20 30 EFEDRM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC001260777850 1316368274 /nfs/dbraw/zinc/36/82/74/1316368274.db2.gz XGRVJNKDELURSI-UHFFFAOYSA-N -1 0 337.788 2.725 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC001260803388 1316369663 /nfs/dbraw/zinc/36/96/63/1316369663.db2.gz GRBWJDSSSREILJ-UHFFFAOYSA-N -1 0 349.437 2.996 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2scc(C)c2C#N)c1 ZINC001260802352 1316370008 /nfs/dbraw/zinc/37/00/08/1316370008.db2.gz GODMRHTYIJCIEA-UHFFFAOYSA-N -1 0 335.410 2.687 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 ZINC001260809205 1316370383 /nfs/dbraw/zinc/37/03/83/1316370383.db2.gz FHVYXYFCQJIAJE-UHFFFAOYSA-N -1 0 329.381 2.512 20 30 EFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C#N)c1 ZINC001260811132 1316370879 /nfs/dbraw/zinc/37/08/79/1316370879.db2.gz GDGBGIVWRCFFRZ-UHFFFAOYSA-N -1 0 349.799 2.971 20 30 EFEDRM Cc1nc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C#N)cc1C#N ZINC001260828282 1316371932 /nfs/dbraw/zinc/37/19/32/1316371932.db2.gz ZXLYOIRDOLFUGK-UHFFFAOYSA-N -1 0 346.799 2.729 20 30 EFEDRM N#C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260872455 1316374697 /nfs/dbraw/zinc/37/46/97/1316374697.db2.gz OTVSCRPGHMSPAD-MRVPVSSYSA-N -1 0 335.212 2.766 20 30 EFEDRM N#C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260871639 1316374698 /nfs/dbraw/zinc/37/46/98/1316374698.db2.gz BCRVGXFVXYNOAL-MRVPVSSYSA-N -1 0 335.212 2.623 20 30 EFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C)c1C ZINC001260999456 1316383437 /nfs/dbraw/zinc/38/34/37/1316383437.db2.gz UTSZBFVIUFWHBA-UHFFFAOYSA-N -1 0 344.392 2.763 20 30 EFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C#N)c2ccccc12 ZINC001261022927 1316385285 /nfs/dbraw/zinc/38/52/85/1316385285.db2.gz LOQCZDQBWJKXNY-UHFFFAOYSA-N -1 0 326.381 2.852 20 30 EFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1C#N ZINC001261070967 1316388219 /nfs/dbraw/zinc/38/82/19/1316388219.db2.gz FOUJRTWJMXMZBO-UHFFFAOYSA-N -1 0 348.771 2.857 20 30 EFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001261076884 1316388376 /nfs/dbraw/zinc/38/83/76/1316388376.db2.gz DFOJZQIGWLMNFR-UHFFFAOYSA-N -1 0 343.195 2.597 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001261292129 1316402431 /nfs/dbraw/zinc/40/24/31/1316402431.db2.gz VAPNMDJBWQLYDR-SKDRFNHKSA-N -1 0 328.315 2.678 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc2nc(CC)c(CC)nc2c1)C(=O)[O-] ZINC001262177072 1316450940 /nfs/dbraw/zinc/45/09/40/1316450940.db2.gz JXQGOYLYHMPQRA-HNNXBMFYSA-N -1 0 327.384 2.514 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](CC(C)C)C1 ZINC001262941422 1316505956 /nfs/dbraw/zinc/50/59/56/1316505956.db2.gz KXYJGXJCNGDOND-CQSZACIVSA-N -1 0 344.463 2.926 20 30 EFEDRM C=C(C)Cn1c(-c2c[nH]oc2=O)nnc1N(C)Cc1cnc(C)s1 ZINC001263323018 1316530628 /nfs/dbraw/zinc/53/06/28/1316530628.db2.gz DHQLJOCGTWIGAV-UHFFFAOYSA-N -1 0 346.416 2.616 20 30 EFEDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001319518561 1328907500 /nfs/dbraw/zinc/90/75/00/1328907500.db2.gz MJAMHNCCVZPPAO-UHFFFAOYSA-N -1 0 341.396 2.649 20 30 EFEDRM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCCC#N ZINC001320074236 1329069621 /nfs/dbraw/zinc/06/96/21/1329069621.db2.gz RZSMNJIXEBVDBL-UHFFFAOYSA-N -1 0 333.417 2.622 20 30 EFEDRM C=C[C@H](COC)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001320447014 1329133141 /nfs/dbraw/zinc/13/31/41/1329133141.db2.gz HYFWNJHAYQOHRY-MRVPVSSYSA-N -1 0 334.597 2.739 20 30 EFEDRM C=CC[C@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001321111237 1329344400 /nfs/dbraw/zinc/34/44/00/1329344400.db2.gz PZHHMBFMTSLSBE-ZJUUUORDSA-N -1 0 325.434 2.830 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC001321111227 1329344469 /nfs/dbraw/zinc/34/44/69/1329344469.db2.gz PZHHMBFMTSLSBE-NXEZZACHSA-N -1 0 325.434 2.830 20 30 EFEDRM C=CC[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC001321207482 1329356464 /nfs/dbraw/zinc/35/64/64/1329356464.db2.gz ZFPJKKBAKKZUHQ-SNVBAGLBSA-N -1 0 338.157 2.954 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001321338509 1329374884 /nfs/dbraw/zinc/37/48/84/1329374884.db2.gz IIOARGRPEQZNPB-ZDUSSCGKSA-N -1 0 334.372 2.793 20 30 EFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC001317877783 1328433904 /nfs/dbraw/zinc/43/39/04/1328433904.db2.gz KVNMTKFGUXWRKH-UHFFFAOYSA-N -1 0 336.372 2.830 20 30 EFEDRM C=CC[C@H](NC(=O)NCCCO[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001322515127 1329464613 /nfs/dbraw/zinc/46/46/13/1329464613.db2.gz SWNKPGJIIXBSLB-DLBZAZTESA-N -1 0 346.427 2.799 20 30 EFEDRM C=CC[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001322603147 1329471496 /nfs/dbraw/zinc/47/14/96/1329471496.db2.gz XKMHIGATILKVIW-AWEZNQCLSA-N -1 0 348.399 2.561 20 30 EFEDRM CC[C@@H](O)CNN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001323991710 1329589472 /nfs/dbraw/zinc/58/94/72/1329589472.db2.gz RJOUGARWANXYLE-QGZVFWFLSA-N -1 0 342.395 2.658 20 30 EFEDRM CC(=NNCC1CCOCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC001324253945 1329611649 /nfs/dbraw/zinc/61/16/49/1329611649.db2.gz OLJWHGPUNBRBDY-UHFFFAOYSA-N -1 0 334.416 2.670 20 30 EFEDRM C=CC[C@@H](NC(=O)C(C)(C)c1ccc(OCC)c(OCC)c1)C(=O)[O-] ZINC001325145384 1329673410 /nfs/dbraw/zinc/67/34/10/1329673410.db2.gz JHFXCMUXVXBMKW-CQSZACIVSA-N -1 0 349.427 2.907 20 30 EFEDRM C=C[C@@H](C)ONC(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001326504854 1330307168 /nfs/dbraw/zinc/30/71/68/1330307168.db2.gz DSYCXMAUVLTOIK-SNVBAGLBSA-N -1 0 336.417 2.825 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001326736073 1330357048 /nfs/dbraw/zinc/35/70/48/1330357048.db2.gz OMWCWPQGWPYZCZ-JOYOIKCWSA-N -1 0 346.305 2.975 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(OCCOC)c(Cl)c1)C(=O)[O-] ZINC001326931120 1330385847 /nfs/dbraw/zinc/38/58/47/1330385847.db2.gz OYVSUKVYMRVALO-LBPRGKRZSA-N -1 0 342.779 2.516 20 30 EFEDRM C=CC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001327014388 1330399451 /nfs/dbraw/zinc/39/94/51/1330399451.db2.gz SZGHJZRLBXVOTN-QGZVFWFLSA-N -1 0 337.375 2.985 20 30 EFEDRM C=CC[C@H](NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)C(=O)[O-] ZINC001327014676 1330399682 /nfs/dbraw/zinc/39/96/82/1330399682.db2.gz ZHRWPPGVCNCYHL-ZDUSSCGKSA-N -1 0 343.383 2.793 20 30 EFEDRM C=CC[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)[O-] ZINC001327013791 1330399844 /nfs/dbraw/zinc/39/98/44/1330399844.db2.gz ODPKRHKUHXXGSQ-OAHLLOKOSA-N -1 0 343.379 2.836 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC001330000221 1330760586 /nfs/dbraw/zinc/76/05/86/1330760586.db2.gz QDRJAVMVOIJPRX-JTQLQIEISA-N -1 0 329.368 2.623 20 30 EFEDRM Cc1ccc([C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001331420639 1330835176 /nfs/dbraw/zinc/83/51/76/1330835176.db2.gz ZQUADEREUREALW-LLVKDONJSA-N -1 0 345.380 2.703 20 30 EFEDRM C=C[C@H](CCC(=O)[O-])[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001331981416 1330900306 /nfs/dbraw/zinc/90/03/06/1330900306.db2.gz GDJNUROBVLAGQR-SNVBAGLBSA-N -1 0 332.169 2.803 20 30 EFEDRM C=CC[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(F)c1)C(=O)[O-] ZINC001332378213 1330965128 /nfs/dbraw/zinc/96/51/28/1330965128.db2.gz ZVQBAZZVMBYBLM-AWEZNQCLSA-N -1 0 335.379 2.967 20 30 EFEDRM C=CCO[C@H]1CCN(c2c(C(=O)[O-])cnc3c(OC)cccc32)C1 ZINC001332520232 1330980115 /nfs/dbraw/zinc/98/01/15/1330980115.db2.gz QOMDYMDXVSXJKN-LBPRGKRZSA-N -1 0 328.368 2.723 20 30 EFEDRM C=CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001332614313 1330990151 /nfs/dbraw/zinc/99/01/51/1330990151.db2.gz WOCBHSYWZHTOMF-CABZTGNLSA-N -1 0 331.290 2.618 20 30 EFEDRM C#CC[C@H](NC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC001332931798 1331048954 /nfs/dbraw/zinc/04/89/54/1331048954.db2.gz HZPDOSCDKOVWIS-SFHVURJKSA-N -1 0 348.402 2.672 20 30 EFEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(N2CCC(O)CC2)cc1 ZINC001334086960 1331246977 /nfs/dbraw/zinc/24/69/77/1331246977.db2.gz JQXOFISZFIVEDB-CLTKARDFSA-N -1 0 349.390 2.783 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cnc3ccccc3c2)CC1 ZINC001334260092 1331273584 /nfs/dbraw/zinc/27/35/84/1331273584.db2.gz NFWCBEXGTCECBJ-UHFFFAOYSA-N -1 0 330.409 2.786 20 30 EFEDRM CC#CC[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001334853655 1331318065 /nfs/dbraw/zinc/31/80/65/1331318065.db2.gz UKIAKOMDCGMTIW-NSHDSACASA-N -1 0 346.608 2.764 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001334885838 1331324801 /nfs/dbraw/zinc/32/48/01/1331324801.db2.gz CSXDGVKSEHHEBV-YNEHKIRRSA-N -1 0 342.317 2.890 20 30 EFEDRM C=CC[C@H](NC(=O)NCc1ccc(C)c(Br)c1)C(=O)[O-] ZINC001335825397 1331407200 /nfs/dbraw/zinc/40/72/00/1331407200.db2.gz VFQZULZMPICCTA-LBPRGKRZSA-N -1 0 341.205 2.586 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)ncc2C)n1 ZINC001336270887 1331453400 /nfs/dbraw/zinc/45/34/00/1331453400.db2.gz UCYOLIVPJQDQCK-LLVKDONJSA-N -1 0 349.799 2.842 20 30 EFEDRM C[C@H](Oc1ccc(C=NN[C@@H]2CC(C)(C)OC2(C)C)cc1)C(=O)[O-] ZINC001337007442 1331526355 /nfs/dbraw/zinc/52/63/55/1331526355.db2.gz NAYDGBNWAGQDPC-SWLSCSKDSA-N -1 0 334.416 2.808 20 30 EFEDRM CC(C)N(Cc1ccccc1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001338071774 1331645718 /nfs/dbraw/zinc/64/57/18/1331645718.db2.gz FUYKVACJZMOIJL-UHFFFAOYSA-N -1 0 348.410 2.869 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001338851863 1331747120 /nfs/dbraw/zinc/74/71/20/1331747120.db2.gz OJAZKJYEUHHWJZ-QWHCGFSZSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001338852500 1331747227 /nfs/dbraw/zinc/74/72/27/1331747227.db2.gz XLGSUHLVOZDMTC-OCCSQVGLSA-N -1 0 330.436 2.678 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC2(CCCC2)C1 ZINC001338852571 1331747330 /nfs/dbraw/zinc/74/73/30/1331747330.db2.gz YJFROJSJNAYKOX-UHFFFAOYSA-N -1 0 342.447 2.824 20 30 EFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001339815288 1332104156 /nfs/dbraw/zinc/10/41/56/1332104156.db2.gz XSPAKJHVTMMVDV-OKILXGFUSA-N -1 0 348.410 2.506 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCCC[C@@H]1CC ZINC001340331325 1332175774 /nfs/dbraw/zinc/17/57/74/1332175774.db2.gz JLVJPRMQRSWKJL-ZDUSSCGKSA-N -1 0 330.436 2.822 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc2cc(Cl)ccc21 ZINC001341919115 1332288538 /nfs/dbraw/zinc/28/85/38/1332288538.db2.gz QXPRKJUTYIZKDN-CQSZACIVSA-N -1 0 327.771 2.833 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)C[C@H]1C ZINC001342248629 1332323783 /nfs/dbraw/zinc/32/37/83/1332323783.db2.gz UMBNUOOULBKJKP-CHWSQXEVSA-N -1 0 330.436 2.678 20 30 EFEDRM N#C[C@@H](C(=O)c1ccc2[nH]c(=O)oc2c1)c1nc(N)c2ccccc2n1 ZINC001342625851 1332334666 /nfs/dbraw/zinc/33/46/66/1332334666.db2.gz YWGMKIUOWCXXJV-NSHDSACASA-N -1 0 345.318 2.549 20 30 EFEDRM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2n1 ZINC001343429094 1332347735 /nfs/dbraw/zinc/34/77/35/1332347735.db2.gz RHQLRKCTANQXAD-ZDUSSCGKSA-N -1 0 344.378 2.723 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccsc1C(F)F ZINC001343473068 1332348861 /nfs/dbraw/zinc/34/88/61/1332348861.db2.gz FYZYSZKUQVDMDQ-LLVKDONJSA-N -1 0 344.383 2.939 20 30 EFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)[C@@H](C)C1CC1 ZINC001343508853 1332352423 /nfs/dbraw/zinc/35/24/23/1332352423.db2.gz JRDLVAQDHUKHET-LBPRGKRZSA-N -1 0 338.415 2.728 20 30 EFEDRM C[C@H](NN=Cc1c(Br)cc(C(=O)[O-])n1C)C(C)(C)C ZINC001343774126 1332379097 /nfs/dbraw/zinc/37/90/97/1332379097.db2.gz PXCJCXFWIYRSIJ-QMMMGPOBSA-N -1 0 330.226 2.844 20 30 EFEDRM CCc1ccc(C([O-])=C(C#N)c2cccc(F)n2)cc1S(C)(=O)=O ZINC001344016710 1332397321 /nfs/dbraw/zinc/39/73/21/1332397321.db2.gz JHPYKLNDUJEMJH-ZDUSSCGKSA-N -1 0 346.383 2.677 20 30 EFEDRM C=CC[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC001344551589 1332462917 /nfs/dbraw/zinc/46/29/17/1332462917.db2.gz FAQZYCARTJDQDH-GFCCVEGCSA-N -1 0 326.190 2.527 20 30 EFEDRM C=CC[C@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001344551414 1332463010 /nfs/dbraw/zinc/46/30/10/1332463010.db2.gz BWLZHGPEFFDABV-AWEZNQCLSA-N -1 0 333.775 2.593 20 30 EFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC001345158041 1332513899 /nfs/dbraw/zinc/51/38/99/1332513899.db2.gz PYCMBUQIOLQTPK-FUKPKEADSA-N -1 0 345.395 2.739 20 30 EFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1 ZINC001346054162 1332595269 /nfs/dbraw/zinc/59/52/69/1332595269.db2.gz NAVOQZZMKOXMOB-ZDUSSCGKSA-N -1 0 347.378 2.884 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2 ZINC001346199381 1332610742 /nfs/dbraw/zinc/61/07/42/1332610742.db2.gz UXJRJKUTBKJSBU-KRWDZBQOSA-N -1 0 328.412 2.778 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)C(=O)[O-] ZINC001346313647 1332625031 /nfs/dbraw/zinc/62/50/31/1332625031.db2.gz YQTREKGPEMLCIR-DLBZAZTESA-N -1 0 348.418 2.716 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)C(=O)[O-] ZINC001346313653 1332625072 /nfs/dbraw/zinc/62/50/72/1332625072.db2.gz YQTREKGPEMLCIR-SJORKVTESA-N -1 0 348.418 2.716 20 30 EFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC001350241285 1333052762 /nfs/dbraw/zinc/05/27/62/1333052762.db2.gz FMHPVOSULPEOIK-UHFFFAOYSA-N -1 0 325.405 2.994 20 30 EFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)[C@@H](C)c1ccco1 ZINC001351543972 1333247569 /nfs/dbraw/zinc/24/75/69/1333247569.db2.gz KIYNBOYKUKWAMM-LBPRGKRZSA-N -1 0 342.403 2.844 20 30 EFEDRM N#Cc1nc(NC(=O)c2ccccc2Oc2cccnc2)[n-]c1C#N ZINC001300044706 1333585065 /nfs/dbraw/zinc/58/50/65/1333585065.db2.gz IZVFIGDGVKCRBV-UHFFFAOYSA-N -1 0 330.307 2.593 20 30 EFEDRM C=CCN(CC(=O)OCC)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000847611816 1333998069 /nfs/dbraw/zinc/99/80/69/1333998069.db2.gz KHMGUAICKDCSKQ-UHFFFAOYSA-N -1 0 331.290 2.602 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccc(C#N)cc2)s1 ZINC000847618274 1334008265 /nfs/dbraw/zinc/00/82/65/1334008265.db2.gz KAJLJASPGXTHLC-LLVKDONJSA-N -1 0 348.449 2.612 20 30 EFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000847635847 1334049434 /nfs/dbraw/zinc/04/94/34/1334049434.db2.gz NZXZUJDOTNNBAG-CYBMUJFWSA-N -1 0 334.441 2.516 20 30 EFEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000847643425 1334059381 /nfs/dbraw/zinc/05/93/81/1334059381.db2.gz AKSCXSJEZQWTSB-UONOGXRCSA-N -1 0 336.457 2.619 20 30 EFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001354293243 1334216326 /nfs/dbraw/zinc/21/63/26/1334216326.db2.gz MEMNENQXRDKYGA-XJKSGUPXSA-N -1 0 331.416 2.676 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2C#N)c1F ZINC001200690151 1334349357 /nfs/dbraw/zinc/34/93/57/1334349357.db2.gz COXUVARKFMCLGJ-UHFFFAOYSA-N -1 0 325.752 2.855 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@]2(C)CC2(Cl)Cl)cc1C#N ZINC001354884322 1334572795 /nfs/dbraw/zinc/57/27/95/1334572795.db2.gz GDBRRKXQCCEWGE-GFCCVEGCSA-N -1 0 346.239 2.694 20 30 EFEDRM O=C([O-])Cc1ccc([N-][NH+]=Cc2ccccc2N2CCOCC2)cc1 ZINC000848415491 1334713097 /nfs/dbraw/zinc/71/30/97/1334713097.db2.gz MRKWILUUNLMVQA-UHFFFAOYSA-N -1 0 339.395 2.596 20 30 EFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncc(Br)cn1 ZINC000848419704 1334714397 /nfs/dbraw/zinc/71/43/97/1334714397.db2.gz CMAJHMRNDALYQN-SFYZADRCSA-N -1 0 327.182 2.528 20 30 EFEDRM Cn1ncc(C2CC2)c1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000849242892 1335575524 /nfs/dbraw/zinc/57/55/24/1335575524.db2.gz NPDRXFZULDBHPT-BQYQJAHWSA-N -1 0 326.352 2.657 20 30 EFEDRM N#C[C@H](CO)Cc1cccc(-c2ccccc2[C@@H](O)CC(=O)[O-])c1 ZINC000849475284 1335626141 /nfs/dbraw/zinc/62/61/41/1335626141.db2.gz KQYJLPCSDOCVAC-KDOFPFPSSA-N -1 0 325.364 2.536 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccnn2CCC(C)C)cc1C#N ZINC001361291901 1335961415 /nfs/dbraw/zinc/96/14/15/1335961415.db2.gz KOUQQDCKJZGOGR-UHFFFAOYSA-N -1 0 345.428 2.876 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2ccc(F)c(F)c2)cc1C#N ZINC001361343111 1336009004 /nfs/dbraw/zinc/00/90/04/1336009004.db2.gz SNGHRHMTUBOEPL-UHFFFAOYSA-N -1 0 335.335 2.936 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccnc(OC(C)C)c2)cc1C#N ZINC001361408479 1336059535 /nfs/dbraw/zinc/05/95/35/1336059535.db2.gz QSMWHFFIZIPDJW-UHFFFAOYSA-N -1 0 344.396 2.815 20 30 EFEDRM N#CCOc1ccc(NC(=O)c2ncc(Br)cc2[O-])cc1 ZINC001361845250 1336371653 /nfs/dbraw/zinc/37/16/53/1336371653.db2.gz FORTYSFBBRDFFQ-UHFFFAOYSA-N -1 0 348.156 2.704 20 30 EFEDRM N#Cc1ccc(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)cc1[O-] ZINC001362610793 1336672830 /nfs/dbraw/zinc/67/28/30/1336672830.db2.gz CAFYYTGVOZUHGN-UHFFFAOYSA-N -1 0 344.680 2.928 20 30 EFEDRM COc1ccc(NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)cc1C#N ZINC001362796723 1336745241 /nfs/dbraw/zinc/74/52/41/1336745241.db2.gz RNERFXRJQQPHOP-UHFFFAOYSA-N -1 0 326.356 2.747 20 30 EFEDRM N#Cc1nc(NC(=O)C2(Cc3cccc(Cl)c3)CC2)[n-]c1C#N ZINC001363161475 1336810799 /nfs/dbraw/zinc/81/07/99/1336810799.db2.gz TYDMGJCSSNNNDF-UHFFFAOYSA-N -1 0 325.759 2.768 20 30 EFEDRM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1[O-] ZINC001363925207 1337116353 /nfs/dbraw/zinc/11/63/53/1337116353.db2.gz BSAYMQULBCNYBO-UHFFFAOYSA-N -1 0 330.409 2.865 20 30 EFEDRM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001364007129 1337147579 /nfs/dbraw/zinc/14/75/79/1337147579.db2.gz JNUKUDZZAFAMFJ-GXFFZTMASA-N -1 0 328.384 2.939 20 30 EFEDRM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001364736853 1337200250 /nfs/dbraw/zinc/20/02/50/1337200250.db2.gz XKKNUZTUQXVVQN-GPCCPHFNSA-N -1 0 328.384 2.939 20 30 EFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nn(C)c3ccccc23)cc1C#N ZINC001440073032 1389385553 /nfs/dbraw/zinc/38/55/53/1389385553.db2.gz ITRSJSPRVQRGJI-UHFFFAOYSA-N -1 0 339.380 2.520 20 30 EFEDRM N#Cc1nc(NC(=O)c2cnc(-c3ccccc3Cl)nc2)[n-]c1C#N ZINC001469566490 1397038427 /nfs/dbraw/zinc/03/84/27/1397038427.db2.gz KZULRVJQEORZEX-UHFFFAOYSA-N -1 0 349.741 2.516 20 30 EFEDRM Cn1c(=O)[n-]c(N[C@@H](c2ccccc2)C2CCCCC2)c(C#N)c1=O ZINC001472657569 1397266242 /nfs/dbraw/zinc/26/62/42/1397266242.db2.gz XIEDWLNPSZMPMZ-INIZCTEOSA-N -1 0 338.411 2.679 20 30 EFEDRM C[C@H](C#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503046 1427397136 /nfs/dbraw/zinc/39/71/36/1427397136.db2.gz GKPFUAXQJCENHH-LLVKDONJSA-N -1 0 334.339 2.757 20 30 EFEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819740404 1428365109 /nfs/dbraw/zinc/36/51/09/1428365109.db2.gz ZDZDKJZIOIKGTQ-GFCCVEGCSA-N -1 0 345.403 2.574 20 30 EFEDRM C[C@H](C#N)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735502973 1428380279 /nfs/dbraw/zinc/38/02/79/1428380279.db2.gz IAPKOFMHWQBTHN-GFCCVEGCSA-N -1 0 333.355 2.604 20 30 EFEDRM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000820456332 1428685860 /nfs/dbraw/zinc/68/58/60/1428685860.db2.gz SRBNPVSATUXYGF-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM N#CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1Br ZINC001601070344 1413389646 /nfs/dbraw/zinc/38/96/46/1413389646.db2.gz LLWZOLDXGCDQLZ-UHFFFAOYSA-N -1 0 345.580 2.543 20 30 EFEDRM COc1cccc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000821877621 1428744519 /nfs/dbraw/zinc/74/45/19/1428744519.db2.gz NQCGQMULVBPIDC-UHFFFAOYSA-N -1 0 348.366 2.745 20 30 EFEDRM Cn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1cccc(C(=O)[O-])c1 ZINC001552447642 1414455520 /nfs/dbraw/zinc/45/55/20/1414455520.db2.gz VBDGTNMAUQRKTN-CJNGLKHVSA-N -1 0 328.372 2.684 20 30 EFEDRM CCn1nccc1[C@H]1OCCC[C@@H]1CN=Nc1ccc(C(=O)[O-])cn1 ZINC001552448834 1414456376 /nfs/dbraw/zinc/45/63/76/1414456376.db2.gz HLACSKZSPUFQCE-WBMJQRKESA-N -1 0 343.387 2.562 20 30 EFEDRM Cc1c(N=NC[C@@H]2CCCO[C@@H]2c2ccnn2C)cccc1C(=O)[O-] ZINC001552453340 1414456959 /nfs/dbraw/zinc/45/69/59/1414456959.db2.gz LDJPVQVGAKXNRV-GUYCJALGSA-N -1 0 342.399 2.992 20 30 EFEDRM Cn1cc([C@H]2OCCC[C@H]2CN=Nc2ccc(C(=O)[O-])cc2F)cn1 ZINC001552454842 1414457606 /nfs/dbraw/zinc/45/76/06/1414457606.db2.gz QWAODZJUHSZNSF-LRDDRELGSA-N -1 0 346.362 2.823 20 30 EFEDRM COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000821778276 1428933503 /nfs/dbraw/zinc/93/35/03/1428933503.db2.gz XLOYLXAIFWFCCC-UHFFFAOYSA-N -1 0 340.362 2.528 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2[C@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820197999 1428936555 /nfs/dbraw/zinc/93/65/55/1428936555.db2.gz QLRSTGLGQLVAAK-BXKDBHETSA-N -1 0 345.407 2.581 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000737080790 1428951475 /nfs/dbraw/zinc/95/14/75/1428951475.db2.gz HJNYIQFAAYVCCC-XBXARRHUSA-N -1 0 331.335 2.643 20 30 EFEDRM CCc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000825705130 1428966631 /nfs/dbraw/zinc/96/66/31/1428966631.db2.gz WNYYZLMBYDEXGK-UHFFFAOYSA-N -1 0 331.767 2.907 20 30 EFEDRM Oc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511339 1429002389 /nfs/dbraw/zinc/00/23/89/1429002389.db2.gz LONPVZLWFWLOFD-UHFFFAOYSA-N -1 0 340.774 2.988 20 30 EFEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820108354 1429084561 /nfs/dbraw/zinc/08/45/61/1429084561.db2.gz IXOIEZCXXTYSHX-UHFFFAOYSA-N -1 0 347.423 2.799 20 30 EFEDRM C=C(C)CNC(=S)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819722291 1429093780 /nfs/dbraw/zinc/09/37/80/1429093780.db2.gz GAQJQZHFFJGQLY-UHFFFAOYSA-N -1 0 332.433 2.516 20 30 EFEDRM Cc1ccccc1C[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC001646035445 1416604516 /nfs/dbraw/zinc/60/45/16/1416604516.db2.gz NMCIHVSJTFZHSL-OAHLLOKOSA-N -1 0 348.468 2.704 20 30 EFEDRM COc1cccc(O)c1C=Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821871547 1429134750 /nfs/dbraw/zinc/13/47/50/1429134750.db2.gz AMHZXJHMXJTJGJ-UHFFFAOYSA-N -1 0 329.747 2.985 20 30 EFEDRM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(=O)OC)o2)cc1 ZINC000132648303 1417296919 /nfs/dbraw/zinc/29/69/19/1417296919.db2.gz VTKJAZJPSCRREY-ZDUSSCGKSA-N -1 0 340.335 2.590 20 30 EFEDRM C=CCOCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000819759073 1429183765 /nfs/dbraw/zinc/18/37/65/1429183765.db2.gz NTOWRSHHUZVCME-UHFFFAOYSA-N -1 0 335.433 2.720 20 30 EFEDRM N#CCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381218 1429271931 /nfs/dbraw/zinc/27/19/31/1429271931.db2.gz BWRRBSSNPJPENS-MRXNPFEDSA-N -1 0 332.367 2.642 20 30 EFEDRM CCN(C(=O)C#Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821147011 1429344570 /nfs/dbraw/zinc/34/45/70/1429344570.db2.gz CVCHUMQRUILLBA-HNNXBMFYSA-N -1 0 345.406 2.828 20 30 EFEDRM C=CC[C@@H](NC(=O)Nc1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000169273979 1422774219 /nfs/dbraw/zinc/77/42/19/1422774219.db2.gz XVNDREUSWSQPLO-LLVKDONJSA-N -1 0 343.177 2.609 20 30 EFEDRM Cc1ccc(F)cc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826289881 1429623609 /nfs/dbraw/zinc/62/36/09/1429623609.db2.gz QIZCINGOGYSVBS-UHFFFAOYSA-N -1 0 331.742 2.809 20 30 EFEDRM C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172085788 1423398700 /nfs/dbraw/zinc/39/87/00/1423398700.db2.gz NEYAEPTVVISCHB-CYBMUJFWSA-N -1 0 334.441 2.970 20 30 EFEDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401484 1423407452 /nfs/dbraw/zinc/40/74/52/1423407452.db2.gz ZYCNIKZYBLNJGI-BAQGIRSFSA-N -1 0 339.286 2.810 20 30 EFEDRM CCCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736498413 1423739361 /nfs/dbraw/zinc/73/93/61/1423739361.db2.gz ZKTWJBGSKUSXOV-UHFFFAOYSA-N -1 0 332.367 2.943 20 30 EFEDRM C=CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000189334471 1423832297 /nfs/dbraw/zinc/83/22/97/1423832297.db2.gz BSOKUJRJPSFBDG-QGZVFWFLSA-N -1 0 333.395 2.843 20 30 EFEDRM C=CCC(CC=C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819734733 1424087661 /nfs/dbraw/zinc/08/76/61/1424087661.db2.gz RXKUSRCTXAVILZ-UHFFFAOYSA-N -1 0 328.372 2.687 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccccc2F)o1 ZINC000735992362 1424210068 /nfs/dbraw/zinc/21/00/68/1424210068.db2.gz DACPHCYCWHIXKE-UHFFFAOYSA-N -1 0 329.339 2.723 20 30 EFEDRM C=CCC[C@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccccc1 ZINC000194318332 1424462904 /nfs/dbraw/zinc/46/29/04/1424462904.db2.gz WBJGIARMLQFQQG-KRWDZBQOSA-N -1 0 349.394 2.644 20 30 EFEDRM C#Cc1cccc(NC(=S)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391334 1424551141 /nfs/dbraw/zinc/55/11/41/1424551141.db2.gz PUTCFMSRWSOWKS-UHFFFAOYSA-N -1 0 348.435 2.677 20 30 EFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000160342094 1424603979 /nfs/dbraw/zinc/60/39/79/1424603979.db2.gz FMUXJWKXHLAFKF-UHFFFAOYSA-N -1 0 348.366 2.534 20 30 EFEDRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736351676 1424752369 /nfs/dbraw/zinc/75/23/69/1424752369.db2.gz QWSDXGRHBUWFRV-AWEZNQCLSA-N -1 0 346.394 2.946 20 30 EFEDRM Cc1cccc2c1CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737408703 1424835422 /nfs/dbraw/zinc/83/54/22/1424835422.db2.gz KKNITKMFDWEWQE-NTUHNPAUSA-N -1 0 342.362 2.645 20 30 EFEDRM CCCC(C#N)(CCC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736417791 1425046953 /nfs/dbraw/zinc/04/69/53/1425046953.db2.gz WFKXBSFQYNGQEW-KTKRTIGZSA-N -1 0 338.415 2.859 20 30 EFEDRM COCCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000821684746 1425226874 /nfs/dbraw/zinc/22/68/74/1425226874.db2.gz JKYGOHSSABDBKN-UHFFFAOYSA-N -1 0 335.412 2.514 20 30 EFEDRM CC(C)(C)CN(CCC#N)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824087552 1425403321 /nfs/dbraw/zinc/40/33/21/1425403321.db2.gz WYYFSAFHDINQMA-UHFFFAOYSA-N -1 0 329.364 2.541 20 30 EFEDRM Fc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c(F)c1 ZINC000826373969 1425447275 /nfs/dbraw/zinc/44/72/75/1425447275.db2.gz GZNFTSAMRTWOSU-UHFFFAOYSA-N -1 0 335.705 2.639 20 30 EFEDRM O=C(OCC#Cc1ccc(Cl)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823396981 1425454483 /nfs/dbraw/zinc/45/44/83/1425454483.db2.gz PWKFQYJZOUNXOL-UHFFFAOYSA-N -1 0 344.783 2.790 20 30 EFEDRM C#CCOc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380248 1425475745 /nfs/dbraw/zinc/47/57/45/1425475745.db2.gz GXJWYVQEIJITJQ-UHFFFAOYSA-N -1 0 334.339 2.523 20 30 EFEDRM COc1ccc(C=NNCc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737082449 1425649862 /nfs/dbraw/zinc/64/98/62/1425649862.db2.gz VLVZUFPHPGUUCX-UHFFFAOYSA-N -1 0 342.790 2.652 20 30 EFEDRM C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148060 1425778758 /nfs/dbraw/zinc/77/87/58/1425778758.db2.gz FLEQEBLEWSWAKP-ZDUSSCGKSA-N -1 0 347.378 2.975 20 30 EFEDRM O=C1c2ccc(O)cc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475523 1425795522 /nfs/dbraw/zinc/79/55/22/1425795522.db2.gz IQMFPDLIWNZKNJ-GHXNOFRVSA-N -1 0 336.326 2.924 20 30 EFEDRM O=C1c2cc(F)ccc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475785 1425918606 /nfs/dbraw/zinc/91/86/06/1425918606.db2.gz QNGSTRSAJDSIHU-BJMVGYQFSA-N -1 0 340.289 2.804 20 30 EFEDRM C=CCC(C)(C)C(=O)Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12 ZINC001144072852 1425945993 /nfs/dbraw/zinc/94/59/93/1425945993.db2.gz IUKHWQXIOLZHLU-UHFFFAOYSA-N -1 0 339.355 2.514 20 30 EFEDRM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826211004 1426007364 /nfs/dbraw/zinc/00/73/64/1426007364.db2.gz MEMVGPJYEOHBER-HWKANZROSA-N -1 0 342.380 2.842 20 30 EFEDRM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000825560645 1426075880 /nfs/dbraw/zinc/07/58/80/1426075880.db2.gz URXUTYWSODPJRS-HWKANZROSA-N -1 0 344.352 2.594 20 30 EFEDRM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737308298 1426083677 /nfs/dbraw/zinc/08/36/77/1426083677.db2.gz KSSPWUXZTQTLCP-BQYQJAHWSA-N -1 0 330.351 2.719 20 30 EFEDRM CC#CCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819764575 1426107069 /nfs/dbraw/zinc/10/70/69/1426107069.db2.gz JZIGNQIPQWGEAY-UHFFFAOYSA-N -1 0 348.362 2.626 20 30 EFEDRM N#Cc1cc(-c2nn[n-]n2)c(SCCCC2CCCC2)nc1N ZINC000822819431 1426130739 /nfs/dbraw/zinc/13/07/39/1426130739.db2.gz SLAHXLHDTVHBFH-UHFFFAOYSA-N -1 0 329.433 2.778 20 30 EFEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000822217978 1426218726 /nfs/dbraw/zinc/21/87/26/1426218726.db2.gz USIGRDIUNCEVEO-UHFFFAOYSA-N -1 0 341.419 2.969 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1sc(CC)cc1-c1nn[n-]n1)OCC ZINC000823874865 1426260680 /nfs/dbraw/zinc/26/06/80/1426260680.db2.gz ZSPSLBFMUMQMFF-GFCCVEGCSA-N -1 0 335.433 2.800 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822270871 1426296461 /nfs/dbraw/zinc/29/64/61/1426296461.db2.gz BBRILNAHOWEQLS-UHFFFAOYSA-N -1 0 341.306 2.668 20 30 EFEDRM C#Cc1cccc(N(CC)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735391586 1426300893 /nfs/dbraw/zinc/30/08/93/1426300893.db2.gz UBGNNOIIODXKDG-OUKQBFOZSA-N -1 0 343.390 2.914 20 30 EFEDRM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819743923 1426453536 /nfs/dbraw/zinc/45/35/36/1426453536.db2.gz SWMWWUWOUFAIKY-UHFFFAOYSA-N -1 0 347.382 2.641 20 30 EFEDRM Cc1c(C(=O)C=Cc2ccccc2C#N)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234229 1426495336 /nfs/dbraw/zinc/49/53/36/1426495336.db2.gz NEHITRJJZKINRH-CMDGGOBGSA-N -1 0 344.378 2.691 20 30 EFEDRM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823841563 1426644481 /nfs/dbraw/zinc/64/44/81/1426644481.db2.gz PAFOQYOKUXFBEJ-UHFFFAOYSA-N -1 0 327.388 2.788 20 30 EFEDRM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000737329418 1426705132 /nfs/dbraw/zinc/70/51/32/1426705132.db2.gz LUMIHIWSPBFFHD-UHFFFAOYSA-N -1 0 332.367 2.536 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000737065324 1426776564 /nfs/dbraw/zinc/77/65/64/1426776564.db2.gz JBYBNQRPAABYQP-YCRREMRBSA-N -1 0 336.351 2.780 20 30 EFEDRM C#CC(C)(C)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374924 1426796950 /nfs/dbraw/zinc/79/69/50/1426796950.db2.gz GFLVNAIPPIRBPT-UHFFFAOYSA-N -1 0 346.394 2.752 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1cccc(F)c1 ZINC000826172964 1426820142 /nfs/dbraw/zinc/82/01/42/1426820142.db2.gz GNGYVRDCWMUHLG-UHFFFAOYSA-N -1 0 327.319 2.565 20 30 EFEDRM C=C(Br)CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823874633 1427015860 /nfs/dbraw/zinc/01/58/60/1427015860.db2.gz XKENQQGXJFIVBU-UHFFFAOYSA-N -1 0 329.589 2.544 20 30 EFEDRM COc1ccc(C=C2CCc3c(O)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000821786575 1427141191 /nfs/dbraw/zinc/14/11/91/1427141191.db2.gz FQIDPWJLVDUEAY-FMIVXFBMSA-N -1 0 348.362 2.793 20 30 EFEDRM C#CCOc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000819710227 1427145006 /nfs/dbraw/zinc/14/50/06/1427145006.db2.gz ZLZNHZYMAHSNEX-UHFFFAOYSA-N -1 0 329.360 2.691 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccc3ccccc32)o1 ZINC000735940156 1427271885 /nfs/dbraw/zinc/27/18/85/1427271885.db2.gz WOFZEOKXYWVBLA-UHFFFAOYSA-N -1 0 348.370 2.972 20 30 EFEDRM Cc1c(NCCCOc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822122751 1427291750 /nfs/dbraw/zinc/29/17/50/1427291750.db2.gz PWOFFPOECFRNFM-UHFFFAOYSA-N -1 0 334.383 2.928 20 30 EFEDRM C=CCOCCCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819759359 1427318979 /nfs/dbraw/zinc/31/89/79/1427318979.db2.gz VDJLTMSIBULDTC-UHFFFAOYSA-N -1 0 345.403 2.575 20 30 EFEDRM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1O ZINC000821712108 1427439008 /nfs/dbraw/zinc/43/90/08/1427439008.db2.gz CQBYPCMJWBMVFE-JYRVWZFOSA-N -1 0 348.362 2.793 20 30 EFEDRM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000735374559 1427465505 /nfs/dbraw/zinc/46/55/05/1427465505.db2.gz DZLKXOZQLDSILR-FMQWLBJXSA-N -1 0 345.362 2.583 20 30 EFEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823958609 1427540485 /nfs/dbraw/zinc/54/04/85/1427540485.db2.gz SLZBQXMMKJDJJZ-UHFFFAOYSA-N -1 0 348.292 2.512 20 30 EFEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826246675 1427557335 /nfs/dbraw/zinc/55/73/35/1427557335.db2.gz JDZRWKUEJUSSRT-KRWDZBQOSA-N -1 0 346.394 2.950 20 30 EFEDRM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399972 1427835724 /nfs/dbraw/zinc/83/57/24/1427835724.db2.gz LRYQVYNZHINLDY-UXBLZVDNSA-N -1 0 340.289 2.804 20 30 EFEDRM C=CCOc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823932330 1427991162 /nfs/dbraw/zinc/99/11/62/1427991162.db2.gz VBFFKYGVZTVGKI-UHFFFAOYSA-N -1 0 338.367 2.889 20 30 EFEDRM CCc1nc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cs1 ZINC000825744783 1428055651 /nfs/dbraw/zinc/05/56/51/1428055651.db2.gz DXIQGHCMPMPVDX-UHFFFAOYSA-N -1 0 346.420 2.518 20 30 EFEDRM N#CCCN(Cc1ccco1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822811460 1429951215 /nfs/dbraw/zinc/95/12/15/1429951215.db2.gz ZKPJPIPHOUQIPE-UHFFFAOYSA-N -1 0 326.335 2.515 20 30 EFEDRM COc1ccc(C=NNc2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC000737080675 1429998951 /nfs/dbraw/zinc/99/89/51/1429998951.db2.gz FYDOGDDZESZMQY-UHFFFAOYSA-N -1 0 348.288 2.739 20 30 EFEDRM C=C[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729980 1430001074 /nfs/dbraw/zinc/00/10/74/1430001074.db2.gz ONPGHHLWTIOTLN-ZDUSSCGKSA-N -1 0 349.394 2.750 20 30 EFEDRM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000825806788 1430016486 /nfs/dbraw/zinc/01/64/86/1430016486.db2.gz DZAPBXPJVBFFLJ-AATRIKPKSA-N -1 0 328.401 2.658 20 30 EFEDRM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000822837906 1430092416 /nfs/dbraw/zinc/09/24/16/1430092416.db2.gz XWSRGXSNDLIRGU-SXGWCWSVSA-N -1 0 327.347 2.951 20 30 EFEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)OCC ZINC000823874749 1430222430 /nfs/dbraw/zinc/22/24/30/1430222430.db2.gz YNBCTVJYAWAMRN-CYBMUJFWSA-N -1 0 335.795 2.830 20 30 EFEDRM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825879009 1441428116 /nfs/dbraw/zinc/42/81/16/1441428116.db2.gz FTJIWMUHYJVBBS-VMPITWQZSA-N -1 0 325.397 2.890 20 30 EFEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821769427 1441453419 /nfs/dbraw/zinc/45/34/19/1441453419.db2.gz HLUNLGUMUROUNR-GQCTYLIASA-N -1 0 342.380 2.842 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(F)cc3)C2)o1 ZINC000822423363 1441533192 /nfs/dbraw/zinc/53/31/92/1441533192.db2.gz KIFDVTGNIOADEG-UHFFFAOYSA-N -1 0 327.323 2.648 20 30 EFEDRM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821148960 1441564467 /nfs/dbraw/zinc/56/44/67/1441564467.db2.gz QXGRSYAYEZGGNF-KTKRTIGZSA-N -1 0 336.399 2.986 20 30 EFEDRM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403484 1441613446 /nfs/dbraw/zinc/61/34/46/1441613446.db2.gz UALYNBJTYLBFRQ-GQCTYLIASA-N -1 0 329.722 2.950 20 30 EFEDRM N#Cc1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000822822890 1441619732 /nfs/dbraw/zinc/61/97/32/1441619732.db2.gz GYDDXENPPXJBHG-UHFFFAOYSA-N -1 0 342.721 2.783 20 30 EFEDRM C=CCCCOC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735412664 1441666132 /nfs/dbraw/zinc/66/61/32/1441666132.db2.gz HOZWBTIWCGPMSD-HNNXBMFYSA-N -1 0 330.388 2.780 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(O)c(C)c1 ZINC000823914160 1441750793 /nfs/dbraw/zinc/75/07/93/1441750793.db2.gz BWQPZWFZGCLNJH-UHFFFAOYSA-N -1 0 349.394 2.709 20 30 EFEDRM C=CCN(Cc1ccn(C(C)C)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425387 1441754556 /nfs/dbraw/zinc/75/45/56/1441754556.db2.gz AMMQMTXTWWEITI-UHFFFAOYSA-N -1 0 337.431 2.832 20 30 EFEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)nc2ccccc21 ZINC000736817533 1441842291 /nfs/dbraw/zinc/84/22/91/1441842291.db2.gz CLKWRLKQTJMBOM-UHFFFAOYSA-N -1 0 341.378 2.923 20 30 EFEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)SC ZINC000823909961 1441871351 /nfs/dbraw/zinc/87/13/51/1441871351.db2.gz UJZLRKBNZUXXGC-GFCCVEGCSA-N -1 0 331.445 2.523 20 30 EFEDRM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826167041 1441935694 /nfs/dbraw/zinc/93/56/94/1441935694.db2.gz MXDKERDXFXKWGA-SOFGYWHQSA-N -1 0 340.314 2.616 20 30 EFEDRM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953706 1441943707 /nfs/dbraw/zinc/94/37/07/1441943707.db2.gz MNXHDJODDFPWIW-UHFFFAOYSA-N -1 0 346.316 2.798 20 30 EFEDRM C#Cc1cccc(NC(=S)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391330 1441945233 /nfs/dbraw/zinc/94/52/33/1441945233.db2.gz PQHMBWNBXLLVEU-LBPRGKRZSA-N -1 0 348.435 2.896 20 30 EFEDRM C[C@H](CC#N)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735974161 1442096491 /nfs/dbraw/zinc/09/64/91/1442096491.db2.gz JSPHPAUJYYWCHO-GFCCVEGCSA-N -1 0 333.351 2.993 20 30 EFEDRM C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735408122 1442109497 /nfs/dbraw/zinc/10/94/97/1442109497.db2.gz GHWCSIFXAMMPFT-AWEZNQCLSA-N -1 0 343.431 2.839 20 30 EFEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(C)oc1C ZINC000823953567 1442153059 /nfs/dbraw/zinc/15/30/59/1442153059.db2.gz HEGRGSPLTZZIFU-UHFFFAOYSA-N -1 0 331.767 2.961 20 30 EFEDRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736351677 1442157319 /nfs/dbraw/zinc/15/73/19/1442157319.db2.gz QWSDXGRHBUWFRV-CQSZACIVSA-N -1 0 346.394 2.946 20 30 EFEDRM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820462684 1442217334 /nfs/dbraw/zinc/21/73/34/1442217334.db2.gz ZXJAUFACJHAWQU-VIFPVBQESA-N -1 0 325.763 2.960 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716156 1442237341 /nfs/dbraw/zinc/23/73/41/1442237341.db2.gz LQOIRVQNNLJIQV-AWEZNQCLSA-N -1 0 348.391 2.566 20 30 EFEDRM C[C@H](CC#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963758 1442324202 /nfs/dbraw/zinc/32/42/02/1442324202.db2.gz LWTUAKXDYCTLOE-GFCCVEGCSA-N -1 0 347.382 2.642 20 30 EFEDRM COc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(Cl)cc1 ZINC000821700774 1442406730 /nfs/dbraw/zinc/40/67/30/1442406730.db2.gz XDLZQJLKJNJDNF-UHFFFAOYSA-N -1 0 340.770 2.959 20 30 EFEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(F)cc32)o1 ZINC000820198209 1442458581 /nfs/dbraw/zinc/45/85/81/1442458581.db2.gz SNUKTQYEFSIXTH-UHFFFAOYSA-N -1 0 341.350 2.880 20 30 EFEDRM Cc1ccoc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000819782901 1443067178 /nfs/dbraw/zinc/06/71/78/1443067178.db2.gz RDZFPWLDUOURFX-UHFFFAOYSA-N -1 0 329.364 2.791 20 30 EFEDRM C=C(C)CN(CC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819722262 1443126925 /nfs/dbraw/zinc/12/69/25/1443126925.db2.gz FOYQYIGALOMNFX-UHFFFAOYSA-N -1 0 339.359 2.726 20 30 EFEDRM C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000824035311 1443209559 /nfs/dbraw/zinc/20/95/59/1443209559.db2.gz WQBQNPOBMZQKJL-VIFPVBQESA-N -1 0 345.794 2.676 20 30 EFEDRM COc1ccc(C=CC(=O)c2ccc(C#N)c(F)c2)cc1-c1nn[n-]n1 ZINC000826190910 1443302237 /nfs/dbraw/zinc/30/22/37/1443302237.db2.gz QNRRIOXNPYKZCT-QHHAFSJGSA-N -1 0 349.325 2.782 20 30 EFEDRM C#Cc1cccc(N(C)Cc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000735391413 1443329975 /nfs/dbraw/zinc/32/99/75/1443329975.db2.gz SMNZQIUMKMIYRI-UHFFFAOYSA-N -1 0 328.379 2.737 20 30 EFEDRM C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735410270 1443388221 /nfs/dbraw/zinc/38/82/21/1443388221.db2.gz YSPJSCZKDCTSQG-SECBINFHSA-N -1 0 344.444 2.555 20 30 EFEDRM Cc1nc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000737474191 1443409784 /nfs/dbraw/zinc/40/97/84/1443409784.db2.gz OQFLKWCKQMLRFE-UHFFFAOYSA-N -1 0 346.420 2.672 20 30 EFEDRM O=C(C=Cc1ccn(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403339 1443422896 /nfs/dbraw/zinc/42/28/96/1443422896.db2.gz PJHIVXANBPWLFP-MDZDMXLPSA-N -1 0 342.362 2.949 20 30 EFEDRM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735581231 1443423045 /nfs/dbraw/zinc/42/30/45/1443423045.db2.gz QYRUZPAEERCDJH-UHFFFAOYSA-N -1 0 332.367 2.655 20 30 EFEDRM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819773995 1443430792 /nfs/dbraw/zinc/43/07/92/1443430792.db2.gz ZYMFHDDESOVDBS-UHFFFAOYSA-N -1 0 343.394 2.929 20 30 EFEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)CCC3)o1 ZINC000819782497 1443510159 /nfs/dbraw/zinc/51/01/59/1443510159.db2.gz MLIGWNGGVAYNAL-UHFFFAOYSA-N -1 0 329.389 2.549 20 30 EFEDRM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@](C)(C#N)C1 ZINC000826304638 1443597870 /nfs/dbraw/zinc/59/78/70/1443597870.db2.gz SNWSVUICQKRENC-GOSISDBHSA-N -1 0 333.399 2.853 20 30 EFEDRM Cc1ccccc1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737423418 1443655699 /nfs/dbraw/zinc/65/56/99/1443655699.db2.gz PPDCNNVLWCZCMH-UHFFFAOYSA-N -1 0 337.383 2.995 20 30 EFEDRM C#CCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823855815 1443670536 /nfs/dbraw/zinc/67/05/36/1443670536.db2.gz AQJADYJQWXAKCK-UHFFFAOYSA-N -1 0 347.378 2.545 20 30 EFEDRM N#Cc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000737716004 1443704280 /nfs/dbraw/zinc/70/42/80/1443704280.db2.gz JWMCQQHBQUIXPS-QPJJXVBHSA-N -1 0 334.314 2.529 20 30 EFEDRM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826217567 1443758582 /nfs/dbraw/zinc/75/85/82/1443758582.db2.gz SNWJSUVJMZKJRT-SREVYHEPSA-N -1 0 342.380 2.842 20 30 EFEDRM CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000820196790 1443769621 /nfs/dbraw/zinc/76/96/21/1443769621.db2.gz CQVXVVXGECRFRO-SECBINFHSA-N -1 0 344.425 2.998 20 30 EFEDRM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1cc(C)ccc1OC ZINC000825028029 1443785623 /nfs/dbraw/zinc/78/56/23/1443785623.db2.gz CZWPDJYUBIFLKC-UHFFFAOYSA-N -1 0 341.375 2.706 20 30 EFEDRM C=CCC1(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)CCCCC1 ZINC000913439020 1443875933 /nfs/dbraw/zinc/87/59/33/1443875933.db2.gz WHRFNQSEWSQBDQ-OAHLLOKOSA-N -1 0 325.416 2.932 20 30 EFEDRM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000821849436 1443933811 /nfs/dbraw/zinc/93/38/11/1443933811.db2.gz IMXBRGAUFIAZSW-QPEQYQDCSA-N -1 0 336.326 2.837 20 30 EFEDRM N#C[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826379920 1443952933 /nfs/dbraw/zinc/95/29/33/1443952933.db2.gz GXMMTUHEIHEKBD-MRXNPFEDSA-N -1 0 339.399 2.815 20 30 EFEDRM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735581492 1443988499 /nfs/dbraw/zinc/98/84/99/1443988499.db2.gz VFYZKIYDNVVZMG-UHFFFAOYSA-N -1 0 338.396 2.716 20 30 EFEDRM CC(=NNc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958631 1444008271 /nfs/dbraw/zinc/00/82/71/1444008271.db2.gz UAIMAQRHXHXHPI-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC000826384609 1446153561 /nfs/dbraw/zinc/15/35/61/1446153561.db2.gz CEKAIVGKMRYNBP-XQRVVYSFSA-N -1 0 337.289 2.913 20 30 EFEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820585763 1446195340 /nfs/dbraw/zinc/19/53/40/1446195340.db2.gz PJWLBNWHQBPGKH-UHFFFAOYSA-N -1 0 347.423 2.898 20 30 EFEDRM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737315378 1446291435 /nfs/dbraw/zinc/29/14/35/1446291435.db2.gz NEDMTUXNCLPYQQ-UHFFFAOYSA-N -1 0 338.758 2.953 20 30 EFEDRM CCc1noc(C)c1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821553784 1446348318 /nfs/dbraw/zinc/34/83/18/1446348318.db2.gz KAQHVYBDAYIBAS-UHFFFAOYSA-N -1 0 344.379 2.673 20 30 EFEDRM C=CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402530 1446457565 /nfs/dbraw/zinc/45/75/65/1446457565.db2.gz DYASZXYAIIMXQQ-LBPRGKRZSA-N -1 0 326.404 2.535 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824034852 1446500593 /nfs/dbraw/zinc/50/05/93/1446500593.db2.gz PVHSOUBHBHJBHZ-NSHDSACASA-N -1 0 338.346 2.909 20 30 EFEDRM COCC#CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826147509 1446515191 /nfs/dbraw/zinc/51/51/91/1446515191.db2.gz ZMBQNOLTDOFGEW-UHFFFAOYSA-N -1 0 328.319 2.627 20 30 EFEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2 ZINC000822923268 1446567125 /nfs/dbraw/zinc/56/71/25/1446567125.db2.gz PJARQCYNAQROOW-DUXPYHPUSA-N -1 0 340.364 2.596 20 30 EFEDRM C[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824714016 1446632028 /nfs/dbraw/zinc/63/20/28/1446632028.db2.gz LXFCKULHMGKMIA-NSHDSACASA-N -1 0 345.428 2.581 20 30 EFEDRM C#CCCCCC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823838522 1446792022 /nfs/dbraw/zinc/79/20/22/1446792022.db2.gz QSNRASDDHILPNH-UHFFFAOYSA-N -1 0 327.388 2.786 20 30 EFEDRM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823962918 1446856412 /nfs/dbraw/zinc/85/64/12/1446856412.db2.gz RQWCDPWOGJTSOB-UHFFFAOYSA-N -1 0 336.384 2.708 20 30 EFEDRM CC(C)Oc1ccc(NC(=O)C2(C#N)CCCC2)cc1-c1nn[n-]n1 ZINC000820161049 1446860636 /nfs/dbraw/zinc/86/06/36/1446860636.db2.gz SPIZSTWCYHTVBJ-UHFFFAOYSA-N -1 0 340.387 2.676 20 30 EFEDRM C[C@H](OC(=O)c1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518635 1446894389 /nfs/dbraw/zinc/89/43/89/1446894389.db2.gz IBSXLJRNBYMRCZ-VIFPVBQESA-N -1 0 325.353 2.718 20 30 EFEDRM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)cs2)s1 ZINC000821466317 1446930652 /nfs/dbraw/zinc/93/06/52/1446930652.db2.gz VSZNOGSORQZEKY-UHFFFAOYSA-N -1 0 330.398 2.676 20 30 EFEDRM Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822075292 1446956667 /nfs/dbraw/zinc/95/66/67/1446956667.db2.gz AYWKBGYCWNWJRS-UHFFFAOYSA-N -1 0 347.382 2.711 20 30 EFEDRM CC(C)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000820192713 1446975926 /nfs/dbraw/zinc/97/59/26/1446975926.db2.gz WCTWVUQZLWXWFO-UHFFFAOYSA-N -1 0 333.355 2.509 20 30 EFEDRM COc1cccc(OC)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826217736 1447006432 /nfs/dbraw/zinc/00/64/32/1447006432.db2.gz ZVJBTQMETYJVGT-MDZDMXLPSA-N -1 0 336.351 2.780 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000935416102 1447065838 /nfs/dbraw/zinc/06/58/38/1447065838.db2.gz IEZKWHBVQKAMMG-YMTOWFKASA-N -1 0 337.786 2.800 20 30 EFEDRM COc1ccsc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000821910993 1447299556 /nfs/dbraw/zinc/29/95/56/1447299556.db2.gz KVUJJKUNNPRIRR-UHFFFAOYSA-N -1 0 347.404 2.569 20 30 EFEDRM C=C[C@H](CC)CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000935416100 1447333985 /nfs/dbraw/zinc/33/39/85/1447333985.db2.gz IEZKWHBVQKAMMG-OTYXRUKQSA-N -1 0 337.786 2.800 20 30 EFEDRM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715571 1449041533 /nfs/dbraw/zinc/04/15/33/1449041533.db2.gz BINNGLFXOGWUFJ-GDBMZVCRSA-N -1 0 336.399 2.893 20 30 EFEDRM N#C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000826379828 1449134284 /nfs/dbraw/zinc/13/42/84/1449134284.db2.gz CZLBTGGXGSZYIX-CYBMUJFWSA-N -1 0 347.325 2.774 20 30 EFEDRM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736157053 1449167327 /nfs/dbraw/zinc/16/73/27/1449167327.db2.gz YOHQOZGSOSUXSQ-LBPRGKRZSA-N -1 0 333.351 2.585 20 30 EFEDRM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1O)c1ccccc1 ZINC000823883287 1449236473 /nfs/dbraw/zinc/23/64/73/1449236473.db2.gz NGSQMNJBPSIGBH-LBPRGKRZSA-N -1 0 335.367 2.871 20 30 EFEDRM Fc1ccc2c(c1)OCCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826375843 1449401534 /nfs/dbraw/zinc/40/15/34/1449401534.db2.gz DPODCQNBLNFLGW-UHFFFAOYSA-N -1 0 338.346 2.995 20 30 EFEDRM C[C@H](OC(=O)c1ccccc1OCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824724004 1449462201 /nfs/dbraw/zinc/46/22/01/1449462201.db2.gz WWKZSDBMDHDTSE-LBPRGKRZSA-N -1 0 349.350 2.687 20 30 EFEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958664 1449478789 /nfs/dbraw/zinc/47/87/89/1449478789.db2.gz UUUHOCGGYQAHAQ-UHFFFAOYSA-N -1 0 341.306 2.750 20 30 EFEDRM C[C@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820322451 1449689626 /nfs/dbraw/zinc/68/96/26/1449689626.db2.gz STIKCSNMJJTCEI-XPSMFNQNSA-N -1 0 344.378 2.629 20 30 EFEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(F)ccc(F)c21 ZINC000826475989 1449738657 /nfs/dbraw/zinc/73/86/57/1449738657.db2.gz YBQJDRYDEZEFKS-FNORWQNLSA-N -1 0 346.318 2.865 20 30 EFEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1cccnc1 ZINC000819743880 1449753499 /nfs/dbraw/zinc/75/34/99/1449753499.db2.gz SAASMWAGDHRWSJ-AWEZNQCLSA-N -1 0 348.410 2.580 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824035380 1449847363 /nfs/dbraw/zinc/84/73/63/1449847363.db2.gz YFARYTWATVFVDN-NSHDSACASA-N -1 0 349.354 2.802 20 30 EFEDRM C#CCCCCCC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823841729 1449866108 /nfs/dbraw/zinc/86/61/08/1449866108.db2.gz RZUVANFJPFYSIP-UHFFFAOYSA-N -1 0 337.427 2.965 20 30 EFEDRM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000736733186 1449932507 /nfs/dbraw/zinc/93/25/07/1449932507.db2.gz PMNNWZGGRLINQK-VQHVLOKHSA-N -1 0 348.341 2.554 20 30 EFEDRM C=CC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735410362 1449935642 /nfs/dbraw/zinc/93/56/42/1449935642.db2.gz ZUZDPVOCQDTELA-AWEZNQCLSA-N -1 0 342.447 2.999 20 30 EFEDRM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)n1 ZINC000826178253 1449943051 /nfs/dbraw/zinc/94/30/51/1449943051.db2.gz PZBQPEHESBXEGO-PLNGDYQASA-N -1 0 341.396 2.845 20 30 EFEDRM CCCCCCCCCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943975 1449952984 /nfs/dbraw/zinc/95/29/84/1449952984.db2.gz OERKKDXLYSVMAG-UHFFFAOYSA-N -1 0 337.468 2.541 20 30 EFEDRM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cn1 ZINC000823958056 1450024250 /nfs/dbraw/zinc/02/42/50/1450024250.db2.gz ABGGRMFNPRATFM-UHFFFAOYSA-N -1 0 331.742 2.890 20 30 EFEDRM C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819729651 1450134224 /nfs/dbraw/zinc/13/42/24/1450134224.db2.gz KAIHWVWZSOMWMG-MRVPVSSYSA-N -1 0 340.309 2.972 20 30 EFEDRM Clc1cc(NN=Cc2cnn3ccccc23)ccc1-c1nn[n-]n1 ZINC000826351698 1450166267 /nfs/dbraw/zinc/16/62/67/1450166267.db2.gz WPLQTLNLTHZSLE-UHFFFAOYSA-N -1 0 338.762 2.614 20 30 EFEDRM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000736487984 1450177069 /nfs/dbraw/zinc/17/70/69/1450177069.db2.gz MRBZAYAGFQSGAV-UHFFFAOYSA-N -1 0 347.382 2.813 20 30 EFEDRM C=C1CCC(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)CC1 ZINC000907414621 1450180993 /nfs/dbraw/zinc/18/09/93/1450180993.db2.gz ZNRXHOUBNHLDGX-CQSZACIVSA-N -1 0 349.797 2.944 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256972 1450209748 /nfs/dbraw/zinc/20/97/48/1450209748.db2.gz ITKJDRXQVSSLAI-LBPRGKRZSA-N -1 0 332.367 2.538 20 30 EFEDRM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735408834 1450252588 /nfs/dbraw/zinc/25/25/88/1450252588.db2.gz SCDWIMHSWOWMDB-UHFFFAOYSA-N -1 0 346.410 2.894 20 30 EFEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)nc21 ZINC000737405448 1450314221 /nfs/dbraw/zinc/31/42/21/1450314221.db2.gz GJHQICGSSCNZFF-ZDUSSCGKSA-N -1 0 343.350 2.542 20 30 EFEDRM Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256971 1450428099 /nfs/dbraw/zinc/42/80/99/1450428099.db2.gz ITKJDRXQVSSLAI-GFCCVEGCSA-N -1 0 332.367 2.538 20 30 EFEDRM C[S@](=O)c1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000042319309 713011788 /nfs/dbraw/zinc/01/17/88/713011788.db2.gz GKPAHZKVTNJIKX-VDZCTEQFSA-N -1 0 349.433 2.729 20 30 EFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000187084333 713054767 /nfs/dbraw/zinc/05/47/67/713054767.db2.gz GJUKCBPUBUGZGC-UHFFFAOYSA-N -1 0 341.310 2.917 20 30 EFEDRM CN(C)C(=O)Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000254944708 713129186 /nfs/dbraw/zinc/12/91/86/713129186.db2.gz UGFUFWQRKVHHBZ-UHFFFAOYSA-N -1 0 327.340 2.682 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1 ZINC000255041484 713367216 /nfs/dbraw/zinc/36/72/16/713367216.db2.gz GHMKAXNLSYHEQS-INIZCTEOSA-N -1 0 329.400 2.686 20 30 EFEDRM Cc1cc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000134021219 713773502 /nfs/dbraw/zinc/77/35/02/713773502.db2.gz NSZVUPMMJMRRRZ-UHFFFAOYSA-N -1 0 342.420 2.531 20 30 EFEDRM C[C@@H](Oc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048448849 713777613 /nfs/dbraw/zinc/77/76/13/713777613.db2.gz XSJYIGYQZVFZDP-SECBINFHSA-N -1 0 329.374 3.000 20 30 EFEDRM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000255125507 713785503 /nfs/dbraw/zinc/78/55/03/713785503.db2.gz RXVZZOOZRRPTOO-DAXSKMNVSA-N -1 0 331.280 2.966 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121173132 714081821 /nfs/dbraw/zinc/08/18/21/714081821.db2.gz ZVSUHIIVSSCSKB-KRWDZBQOSA-N -1 0 349.390 2.605 20 30 EFEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12 ZINC000255180925 714091737 /nfs/dbraw/zinc/09/17/37/714091737.db2.gz QHLRBJABSZVKQQ-HYXAFXHYSA-N -1 0 338.323 2.787 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160489555 714194930 /nfs/dbraw/zinc/19/49/30/714194930.db2.gz XJOXRSCZEHQKHV-NSHDSACASA-N -1 0 345.486 2.832 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050206648 714201437 /nfs/dbraw/zinc/20/14/37/714201437.db2.gz NENRMIGAPOQEEY-OLZOCXBDSA-N -1 0 328.821 2.741 20 30 EFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000810987705 714207332 /nfs/dbraw/zinc/20/73/32/714207332.db2.gz WLPPOOARQDFPOO-UHFFFAOYSA-N -1 0 331.796 2.576 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1)c1occc1Br ZINC000083762945 714274041 /nfs/dbraw/zinc/27/40/41/714274041.db2.gz GCOYSDAHCUMBJB-UHFFFAOYSA-N -1 0 330.159 2.736 20 30 EFEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)s1 ZINC000177877106 714448691 /nfs/dbraw/zinc/44/86/91/714448691.db2.gz ZIHMXXWBZGHSNJ-UHFFFAOYSA-N -1 0 341.389 2.602 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc2c1C(=O)CCC2 ZINC000050685399 714454245 /nfs/dbraw/zinc/45/42/45/714454245.db2.gz VPZSATCTAWSWOO-CYBMUJFWSA-N -1 0 342.395 2.878 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cc1 ZINC000176016179 714713460 /nfs/dbraw/zinc/71/34/60/714713460.db2.gz RMTUCWBVZNZMCN-MRXNPFEDSA-N -1 0 346.427 2.729 20 30 EFEDRM CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000066003607 718023675 /nfs/dbraw/zinc/02/36/75/718023675.db2.gz JHFNTCQULJZOOC-UHFFFAOYSA-N -1 0 346.836 2.538 20 30 EFEDRM CCCCN(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000179976037 718024665 /nfs/dbraw/zinc/02/46/65/718024665.db2.gz JOAPLQFGORFKSC-KRWDZBQOSA-N -1 0 327.428 2.868 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000121767330 715290823 /nfs/dbraw/zinc/29/08/23/715290823.db2.gz XHWDHMUJCYFJHM-MRXNPFEDSA-N -1 0 337.335 2.542 20 30 EFEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119877832 715323341 /nfs/dbraw/zinc/32/33/41/715323341.db2.gz AWIXIGAKSYMIKD-INIZCTEOSA-N -1 0 341.411 2.662 20 30 EFEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000124555803 715437780 /nfs/dbraw/zinc/43/77/80/715437780.db2.gz RFKUDQLLHJYLOJ-CYBMUJFWSA-N -1 0 343.383 2.837 20 30 EFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCC2 ZINC000125440901 715592160 /nfs/dbraw/zinc/59/21/60/715592160.db2.gz JCZUXRMBBQJRTO-GOSISDBHSA-N -1 0 342.439 2.819 20 30 EFEDRM CSCc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000125457964 715673809 /nfs/dbraw/zinc/67/38/09/715673809.db2.gz PZKYXWSZDCQOBT-MRXNPFEDSA-N -1 0 348.468 2.803 20 30 EFEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)c1cccnc1 ZINC000051897029 715802727 /nfs/dbraw/zinc/80/27/27/715802727.db2.gz ZPULGDJYIRKETF-UHFFFAOYSA-N -1 0 334.397 2.724 20 30 EFEDRM N#Cc1cccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000208305365 715809758 /nfs/dbraw/zinc/80/97/58/715809758.db2.gz JJXVFVVBYYBHEN-WQLSENKSSA-N -1 0 332.406 2.624 20 30 EFEDRM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000909366958 715818981 /nfs/dbraw/zinc/81/89/81/715818981.db2.gz XSPJYUKSTMABBM-MRXNPFEDSA-N -1 0 341.791 2.971 20 30 EFEDRM CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125500103 715864825 /nfs/dbraw/zinc/86/48/25/715864825.db2.gz VGSAHJKOSCDCML-MRXNPFEDSA-N -1 0 348.468 2.971 20 30 EFEDRM CSc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1 ZINC000125513940 715980055 /nfs/dbraw/zinc/98/00/55/715980055.db2.gz MXODWYCANRQBOK-OAHLLOKOSA-N -1 0 334.441 2.662 20 30 EFEDRM Oc1cc(C=NNc2ccnc(F)c2)cc(Br)c1O ZINC000781129012 716012981 /nfs/dbraw/zinc/01/29/81/716012981.db2.gz AWMXHFHWUGDZRL-UHFFFAOYSA-N -1 0 326.125 2.840 20 30 EFEDRM C#Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000156280496 716140407 /nfs/dbraw/zinc/14/04/07/716140407.db2.gz NCFYKYNWVWIVSI-UHFFFAOYSA-N -1 0 329.377 2.784 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000127235309 716153397 /nfs/dbraw/zinc/15/33/97/716153397.db2.gz HMWSYQLPEDCBNY-CQSZACIVSA-N -1 0 329.356 2.675 20 30 EFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000178987243 723262786 /nfs/dbraw/zinc/26/27/86/723262786.db2.gz NIQKXGKRYFGNPQ-OAHLLOKOSA-N -1 0 325.343 2.755 20 30 EFEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000157988032 716394285 /nfs/dbraw/zinc/39/42/85/716394285.db2.gz QSRLHBMKMJPLTI-UHFFFAOYSA-N -1 0 345.355 2.515 20 30 EFEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000065643002 716447215 /nfs/dbraw/zinc/44/72/15/716447215.db2.gz MXGHZIUURJLKOK-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)C1(c2ccc(F)cc2)CCC1 ZINC000052772791 716587047 /nfs/dbraw/zinc/58/70/47/716587047.db2.gz BEUQBCSUKBGTJH-UHFFFAOYSA-N -1 0 326.393 2.545 20 30 EFEDRM C[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000052794443 716610165 /nfs/dbraw/zinc/61/01/65/716610165.db2.gz ZHVOGEXDRZTQSM-CYBMUJFWSA-N -1 0 342.486 2.996 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000052795031 716610922 /nfs/dbraw/zinc/61/09/22/716610922.db2.gz QKBFYNQAXKHKFP-KBPBESRZSA-N -1 0 326.393 2.616 20 30 EFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000052793619 716614481 /nfs/dbraw/zinc/61/44/81/716614481.db2.gz OBIDUZCHOJEREJ-UHFFFAOYSA-N -1 0 347.440 2.692 20 30 EFEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052793663 716614584 /nfs/dbraw/zinc/61/45/84/716614584.db2.gz JEBYODSHYRDHFH-LLVKDONJSA-N -1 0 346.836 2.713 20 30 EFEDRM O=C(CSc1ccc(F)cc1)[N-]S(=O)(=O)N1CCCCC1 ZINC000052795684 716622506 /nfs/dbraw/zinc/62/25/06/716622506.db2.gz GDTZXWUVNYEPBS-UHFFFAOYSA-N -1 0 332.422 2.605 20 30 EFEDRM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3[O-])c12 ZINC000176823847 716715255 /nfs/dbraw/zinc/71/52/55/716715255.db2.gz YNIXYBBBMLSKIR-UHFFFAOYSA-N -1 0 347.378 2.984 20 30 EFEDRM COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176833169 716752851 /nfs/dbraw/zinc/75/28/51/716752851.db2.gz HUTRSAGPAMIKFW-LBPRGKRZSA-N -1 0 326.352 2.816 20 30 EFEDRM CCNC(=O)C(C)(C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255626870 717199333 /nfs/dbraw/zinc/19/93/33/717199333.db2.gz LEFNYKSRZPCIBS-APSNUPSMSA-N -1 0 327.768 2.535 20 30 EFEDRM C#Cc1cccc(NC(=O)c2nn(-c3ccc(OC)cc3)cc2[O-])c1 ZINC000177007564 717342357 /nfs/dbraw/zinc/34/23/57/717342357.db2.gz JKALLSRKLVUYSR-UHFFFAOYSA-N -1 0 333.347 2.820 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892464726 717665440 /nfs/dbraw/zinc/66/54/40/717665440.db2.gz JCZGGHLVIYNXKY-CYBMUJFWSA-N -1 0 348.472 2.762 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2 ZINC000892465331 717687028 /nfs/dbraw/zinc/68/70/28/717687028.db2.gz QOFVANLPKVPMLY-OAHLLOKOSA-N -1 0 343.427 2.534 20 30 EFEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000892466052 717692805 /nfs/dbraw/zinc/69/28/05/717692805.db2.gz XCJVRIYJXFRNNK-MRXNPFEDSA-N -1 0 343.427 2.521 20 30 EFEDRM Cc1ccc2oc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cc2n1 ZINC000179611866 717803513 /nfs/dbraw/zinc/80/35/13/717803513.db2.gz KOSZNCLJRLIIPZ-AWEZNQCLSA-N -1 0 333.347 2.775 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)c1 ZINC000179733173 717859307 /nfs/dbraw/zinc/85/93/07/717859307.db2.gz HSNLRLLKDOMQOL-INIZCTEOSA-N -1 0 343.289 2.674 20 30 EFEDRM Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3cc(C#N)ccc3[O-])C2=O)c1 ZINC000179734999 717860251 /nfs/dbraw/zinc/86/02/51/717860251.db2.gz SLNBGRDSYGZFRS-MRXNPFEDSA-N -1 0 349.390 2.872 20 30 EFEDRM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179734490 717860280 /nfs/dbraw/zinc/86/02/80/717860280.db2.gz YQVGNLRCSXOCFO-UHFFFAOYSA-N -1 0 335.363 2.889 20 30 EFEDRM COc1ccc(-c2n[nH]cc2C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000179732353 717867347 /nfs/dbraw/zinc/86/73/47/717867347.db2.gz DVMOPOGLDQUIKU-UHFFFAOYSA-N -1 0 334.335 2.915 20 30 EFEDRM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1C ZINC000179731794 717867720 /nfs/dbraw/zinc/86/77/20/717867720.db2.gz JQZAKUMSJGNTOU-UHFFFAOYSA-N -1 0 344.392 2.537 20 30 EFEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1C ZINC000180734706 718371070 /nfs/dbraw/zinc/37/10/70/718371070.db2.gz CGRNRMHUVRWTFQ-INIZCTEOSA-N -1 0 346.427 2.566 20 30 EFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000122148339 718383322 /nfs/dbraw/zinc/38/33/22/718383322.db2.gz GHZWSXYSGVMYFL-RHSMWYFYSA-N -1 0 345.358 2.531 20 30 EFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1Br ZINC000066741786 718989340 /nfs/dbraw/zinc/98/93/40/718989340.db2.gz SCGSMECPGNISPS-UHFFFAOYSA-N -1 0 348.218 2.903 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC000067001132 719163505 /nfs/dbraw/zinc/16/35/05/719163505.db2.gz KOTBDQDQJNSUKB-ROKHWSDSSA-N -1 0 344.477 2.500 20 30 EFEDRM Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000126018345 719179304 /nfs/dbraw/zinc/17/93/04/719179304.db2.gz ZLVXALXDEOCKRP-HNNXBMFYSA-N -1 0 336.819 2.902 20 30 EFEDRM C=CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000892882395 719256322 /nfs/dbraw/zinc/25/63/22/719256322.db2.gz KVJOQQJNAIJHPK-UHFFFAOYSA-N -1 0 335.347 2.615 20 30 EFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000057125727 719458761 /nfs/dbraw/zinc/45/87/61/719458761.db2.gz RNWDBLUZXSPVRB-UHFFFAOYSA-N -1 0 337.788 2.806 20 30 EFEDRM Cc1cnn(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2)c1 ZINC000119916896 719483143 /nfs/dbraw/zinc/48/31/43/719483143.db2.gz QFRBXDUCDWFWMN-KRWDZBQOSA-N -1 0 336.395 2.562 20 30 EFEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000122901338 719990727 /nfs/dbraw/zinc/99/07/27/719990727.db2.gz GOWSXYSASRAREL-GXSJLCMTSA-N -1 0 349.749 2.572 20 30 EFEDRM COCCN(CCC#N)Cc1cc(Br)cc(F)c1[O-] ZINC000894003342 720217136 /nfs/dbraw/zinc/21/71/36/720217136.db2.gz JVBRZLSCIVOFBD-UHFFFAOYSA-N -1 0 331.185 2.656 20 30 EFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123572152 720842658 /nfs/dbraw/zinc/84/26/58/720842658.db2.gz XLXDRIFTXCQJFJ-UHFFFAOYSA-N -1 0 334.784 2.639 20 30 EFEDRM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)co1 ZINC000123650793 720850583 /nfs/dbraw/zinc/85/05/83/720850583.db2.gz MOXLTJJQPJFNQX-JTQLQIEISA-N -1 0 347.758 2.860 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2scnc2C)n1 ZINC000840604372 721109345 /nfs/dbraw/zinc/10/93/45/721109345.db2.gz WUOQXAIMCWKMRO-LLVKDONJSA-N -1 0 349.437 2.569 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000124173408 721382288 /nfs/dbraw/zinc/38/22/88/721382288.db2.gz WBYWWYYYDBXBGX-ZDUSSCGKSA-N -1 0 342.317 2.571 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCCC2 ZINC000124203082 721412940 /nfs/dbraw/zinc/41/29/40/721412940.db2.gz ZAMGWVDMCUKTCR-AWEZNQCLSA-N -1 0 348.468 2.882 20 30 EFEDRM O=C1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CN1c1ccccc1 ZINC000194992486 721502676 /nfs/dbraw/zinc/50/26/76/721502676.db2.gz JKFLRZAOGYXWDL-HVOBPNNYSA-N -1 0 325.324 2.525 20 30 EFEDRM Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048410054 722092360 /nfs/dbraw/zinc/09/23/60/722092360.db2.gz PWMDBDJKRRJELC-UHFFFAOYSA-N -1 0 348.211 2.729 20 30 EFEDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000048554526 722636759 /nfs/dbraw/zinc/63/67/59/722636759.db2.gz DUPLFJFNJBUFIP-UHFFFAOYSA-N -1 0 326.418 2.716 20 30 EFEDRM C=C(Cl)COc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000917539060 728754175 /nfs/dbraw/zinc/75/41/75/728754175.db2.gz SRACVQBDXDZBBS-UHFFFAOYSA-N -1 0 333.779 2.853 20 30 EFEDRM Cc1cc(C=NNc2[n-]cnc3ncnc2-3)c(C)n1Cc1ccco1 ZINC000917555587 728759378 /nfs/dbraw/zinc/75/93/78/728759378.db2.gz VRNNJOGISSWLRV-UHFFFAOYSA-N -1 0 335.371 2.859 20 30 EFEDRM COc1cccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000917556741 728759890 /nfs/dbraw/zinc/75/98/90/728759890.db2.gz KKSRRFNUWPSLJB-WOJGMQOQSA-N -1 0 330.340 2.979 20 30 EFEDRM Cc1nnc([S-])n(N=Cc2cc(-c3ccccc3)cs2)c1=O ZINC000917534561 728756707 /nfs/dbraw/zinc/75/67/07/728756707.db2.gz LLVFCCHJTCARML-UHFFFAOYSA-N -1 0 328.422 2.846 20 30 EFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]OCc1ccccn1 ZINC000909532559 723171584 /nfs/dbraw/zinc/17/15/84/723171584.db2.gz YZXBQLUOXJGLLK-QGZVFWFLSA-N -1 0 325.368 2.605 20 30 EFEDRM C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C(=O)c3ccccc3O)C2)C1 ZINC000984620923 723187278 /nfs/dbraw/zinc/18/72/78/723187278.db2.gz WBTJQNPUYCLZQV-OAHLLOKOSA-N -1 0 342.439 2.812 20 30 EFEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000181270037 728808319 /nfs/dbraw/zinc/80/83/19/728808319.db2.gz YWZREEXBYTWODE-UHFFFAOYSA-N -1 0 330.409 2.522 20 30 EFEDRM CCCCCCC[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000917931118 728810558 /nfs/dbraw/zinc/81/05/58/728810558.db2.gz IZIHMZVMOUWBPY-CYBMUJFWSA-N -1 0 344.477 2.998 20 30 EFEDRM CCCCCCC[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000917931119 728810569 /nfs/dbraw/zinc/81/05/69/728810569.db2.gz IZIHMZVMOUWBPY-ZDUSSCGKSA-N -1 0 344.477 2.998 20 30 EFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)c1 ZINC000069366952 728820985 /nfs/dbraw/zinc/82/09/85/728820985.db2.gz FKCBMTDAAIECJD-UHFFFAOYSA-N -1 0 327.308 2.667 20 30 EFEDRM N#Cc1ccc([O-])c(NC(=O)c2csc(N3CCCCC3)n2)c1 ZINC000896820972 723502410 /nfs/dbraw/zinc/50/24/10/723502410.db2.gz NKWBELQAMGXNOJ-UHFFFAOYSA-N -1 0 328.397 2.963 20 30 EFEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000181285836 728827632 /nfs/dbraw/zinc/82/76/32/728827632.db2.gz ODBDPUFTTNUKNQ-UHFFFAOYSA-N -1 0 340.401 2.712 20 30 EFEDRM CO[C@@H]1COCC[C@@H]1C/N=C\c1cc(Br)ccc1O ZINC000840705002 723513334 /nfs/dbraw/zinc/51/33/34/723513334.db2.gz BJKLZBBICNXESE-LDQHGALPSA-N -1 0 328.206 2.625 20 30 EFEDRM Cc1c(NN=Cc2ccc(OCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000727973141 723544399 /nfs/dbraw/zinc/54/43/99/723544399.db2.gz SEVDLEKCLLPBNC-UHFFFAOYSA-N -1 0 329.312 2.813 20 30 EFEDRM C=C1CC(c2noc(-c3ccc4c(c3)[n-]c(=S)n(C)c4=O)n2)C1 ZINC000896890090 723584036 /nfs/dbraw/zinc/58/40/36/723584036.db2.gz POGMHBZSLMTKEB-UHFFFAOYSA-N -1 0 326.381 2.706 20 30 EFEDRM CC(C)Sc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000181298082 728841462 /nfs/dbraw/zinc/84/14/62/728841462.db2.gz YRVQINAABKOEAT-UHFFFAOYSA-N -1 0 326.443 2.550 20 30 EFEDRM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C#N)c2C)ccc1F ZINC000179025145 723819344 /nfs/dbraw/zinc/81/93/44/723819344.db2.gz SOCVTQDYNHEXCZ-UHFFFAOYSA-N -1 0 348.355 2.593 20 30 EFEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226014 723854425 /nfs/dbraw/zinc/85/44/25/723854425.db2.gz DFBCBXRYLSCQNV-XEQXHXIFSA-N -1 0 339.351 2.999 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc3ncoc3c2)n1 ZINC000727195715 723856772 /nfs/dbraw/zinc/85/67/72/723856772.db2.gz SGXJVOSYJQKEMM-LLVKDONJSA-N -1 0 341.348 2.626 20 30 EFEDRM O=C([O-])CCOc1cccc(CN=Nc2cnc3ccccc3n2)c1 ZINC000727255415 723874863 /nfs/dbraw/zinc/87/48/63/723874863.db2.gz BSOAMIDADASCPD-UHFFFAOYSA-N -1 0 336.351 2.929 20 30 EFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)c1 ZINC000728696264 724135843 /nfs/dbraw/zinc/13/58/43/724135843.db2.gz ORLYXQIUCDLPLE-MDZDMXLPSA-N -1 0 349.346 2.627 20 30 EFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918485711 728882271 /nfs/dbraw/zinc/88/22/71/728882271.db2.gz WCLDPKQGXBHORF-HNNXBMFYSA-N -1 0 325.368 2.970 20 30 EFEDRM Cc1nc(SCC(=O)[N-]OCc2ccccn2)c(C#N)c(C)c1C ZINC000909528091 724282444 /nfs/dbraw/zinc/28/24/44/724282444.db2.gz MMBZMWDTQCPUPV-UHFFFAOYSA-N -1 0 342.424 2.614 20 30 EFEDRM C[C@H](C#N)Oc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000727684090 724347452 /nfs/dbraw/zinc/34/74/52/724347452.db2.gz QCAJOELIRNLBAA-MRVPVSSYSA-N -1 0 341.318 2.759 20 30 EFEDRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000069523208 728941150 /nfs/dbraw/zinc/94/11/50/728941150.db2.gz SVZLWDUMUFHNHY-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccccc3)n2)cc1 ZINC000069522797 728941204 /nfs/dbraw/zinc/94/12/04/728941204.db2.gz ANUVSKHPYAVGFS-UHFFFAOYSA-N -1 0 341.392 2.874 20 30 EFEDRM C=CCOC[C@@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000263104388 725429988 /nfs/dbraw/zinc/42/99/88/725429988.db2.gz UHKNHSCEKHKKLW-ITBCDRTKSA-N -1 0 335.444 2.755 20 30 EFEDRM Cc1nnc(N=NC2CCc3cc(Br)ccc3C2)[n-]c1=O ZINC000730431729 726130000 /nfs/dbraw/zinc/13/00/00/726130000.db2.gz ULVIVTVJGBDFRR-UHFFFAOYSA-N -1 0 348.204 2.605 20 30 EFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000152669814 726210491 /nfs/dbraw/zinc/21/04/91/726210491.db2.gz PIANCZSLOCNZGF-UHFFFAOYSA-N -1 0 338.186 2.517 20 30 EFEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000054491896 726355504 /nfs/dbraw/zinc/35/55/04/726355504.db2.gz FDHPPMZVWQIUHJ-ONEGZZNKSA-N -1 0 340.288 2.686 20 30 EFEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000054492053 726357220 /nfs/dbraw/zinc/35/72/20/726357220.db2.gz UHHUAINLDADUTF-UHFFFAOYSA-N -1 0 338.316 2.736 20 30 EFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906824269 726808188 /nfs/dbraw/zinc/80/81/88/726808188.db2.gz YLJPRCGVVYNERF-UHFFFAOYSA-N -1 0 335.784 2.762 20 30 EFEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C#N ZINC000906998729 726842623 /nfs/dbraw/zinc/84/26/23/726842623.db2.gz YNFLMRWYFWTRMP-UHFFFAOYSA-N -1 0 338.429 2.678 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000193415942 726904494 /nfs/dbraw/zinc/90/44/94/726904494.db2.gz CVRMEGIQSUHJPN-CYBMUJFWSA-N -1 0 346.383 2.639 20 30 EFEDRM N#CC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)CCSCC1 ZINC000907853603 727032718 /nfs/dbraw/zinc/03/27/18/727032718.db2.gz LNQWZBSAUMEDQI-CQSZACIVSA-N -1 0 338.473 2.811 20 30 EFEDRM N#C[C@]1(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC12CCCC2 ZINC000908150896 727104068 /nfs/dbraw/zinc/10/40/68/727104068.db2.gz CITZTAROMGCBEA-IBGZPJMESA-N -1 0 340.379 2.580 20 30 EFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908355686 727166252 /nfs/dbraw/zinc/16/62/52/727166252.db2.gz VEINLTRVOMPFPT-CQSZACIVSA-N -1 0 344.411 2.867 20 30 EFEDRM C#CC[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000908625646 727227731 /nfs/dbraw/zinc/22/77/31/727227731.db2.gz PAXFGZBCQWFABR-LBPRGKRZSA-N -1 0 328.290 2.780 20 30 EFEDRM C=CCN(C(=O)Nc1cnn(CC)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000908645858 727233997 /nfs/dbraw/zinc/23/39/97/727233997.db2.gz CQXOLPOWEVQWPX-MRXNPFEDSA-N -1 0 342.399 2.619 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000908751081 727256720 /nfs/dbraw/zinc/25/67/20/727256720.db2.gz ISCRQKKXDJSNTK-IAGOWNOFSA-N -1 0 345.443 2.542 20 30 EFEDRM C=CCN(Cc1ccccc1F)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908753101 727256897 /nfs/dbraw/zinc/25/68/97/727256897.db2.gz LLDMCNVBGDNKQX-UHFFFAOYSA-N -1 0 345.374 2.715 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cnc(C)s2)n1 ZINC000732865496 727262967 /nfs/dbraw/zinc/26/29/67/727262967.db2.gz AETGHBOCOPAFQY-PCAWENJQSA-N -1 0 347.421 2.649 20 30 EFEDRM CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000732900165 727270199 /nfs/dbraw/zinc/27/01/99/727270199.db2.gz YAGWGNZZIVSOID-INIZCTEOSA-N -1 0 342.420 2.632 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000908853154 727275788 /nfs/dbraw/zinc/27/57/88/727275788.db2.gz CYDZORAVFGVIHM-CVEARBPZSA-N -1 0 335.400 2.699 20 30 EFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000908957814 727298852 /nfs/dbraw/zinc/29/88/52/727298852.db2.gz CFFRVGGXJBDPQY-AWEZNQCLSA-N -1 0 349.431 2.677 20 30 EFEDRM CC#CCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000909032190 727307705 /nfs/dbraw/zinc/30/77/05/727307705.db2.gz SNAABWGSGLBISO-LBPRGKRZSA-N -1 0 328.290 2.544 20 30 EFEDRM C=CCC[C@@H](NC(=O)NC[C@H]1CCCN(c2ccccc2)C1)C(=O)[O-] ZINC000909097117 727322074 /nfs/dbraw/zinc/32/20/74/727322074.db2.gz KACXBJNHIOHIDK-NVXWUHKLSA-N -1 0 345.443 2.622 20 30 EFEDRM C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000909122633 727326134 /nfs/dbraw/zinc/32/61/34/727326134.db2.gz CXDLNWYRHHRDMV-CYBMUJFWSA-N -1 0 326.780 2.740 20 30 EFEDRM C=CCC[C@H](NC(=O)NCCC1CC(OC(C)(C)C)C1)C(=O)[O-] ZINC000909202142 727343524 /nfs/dbraw/zinc/34/35/24/727343524.db2.gz RPVHEAQSAPTBAT-RUXDESIVSA-N -1 0 326.437 2.689 20 30 EFEDRM C=CCC[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1)C(=O)[O-] ZINC000909215323 727345703 /nfs/dbraw/zinc/34/57/03/727345703.db2.gz HVAXZASKSCXHOT-HRCADAONSA-N -1 0 332.400 2.660 20 30 EFEDRM C=C(C)[C@H](CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])OCC ZINC000909243348 727346639 /nfs/dbraw/zinc/34/66/39/727346639.db2.gz YOYMAUBIOJAUMH-SJORKVTESA-N -1 0 333.428 2.726 20 30 EFEDRM C=CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000909279008 727358215 /nfs/dbraw/zinc/35/82/15/727358215.db2.gz DFYMEFGMRKYYAL-UHFFFAOYSA-N -1 0 344.411 2.774 20 30 EFEDRM C=CCC[C@@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909715297 727366463 /nfs/dbraw/zinc/36/64/63/727366463.db2.gz LGLWQOXGXYXFIT-NEPJUHHUSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCC[C@H](NC(=O)Cc1c[nH]c2cccc(OCC)c12)C(=O)[O-] ZINC000909714701 727366472 /nfs/dbraw/zinc/36/64/72/727366472.db2.gz ZRBAQFHZQMMJAS-AWEZNQCLSA-N -1 0 330.384 2.645 20 30 EFEDRM C=CCC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909715299 727366494 /nfs/dbraw/zinc/36/64/94/727366494.db2.gz LGLWQOXGXYXFIT-RYUDHWBXSA-N -1 0 332.183 2.562 20 30 EFEDRM C=CCSc1ccccc1C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000909715349 727366582 /nfs/dbraw/zinc/36/65/82/727366582.db2.gz QWQPZQSCGKRYNZ-GOSISDBHSA-N -1 0 349.452 2.918 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-] ZINC000909717203 727368123 /nfs/dbraw/zinc/36/81/23/727368123.db2.gz DIVGFNVPWCWGIQ-HNNXBMFYSA-N -1 0 327.384 2.638 20 30 EFEDRM C=CCC[C@H](NC(=O)c1cnn(CC)c1-c1ccccc1)C(=O)[O-] ZINC000909716523 727368156 /nfs/dbraw/zinc/36/81/56/727368156.db2.gz SMCNFJUXESZWSN-HNNXBMFYSA-N -1 0 327.384 2.719 20 30 EFEDRM C#CCC1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1 ZINC000909762108 727372747 /nfs/dbraw/zinc/37/27/47/727372747.db2.gz INRJTRIMXJKYRX-OAHLLOKOSA-N -1 0 331.334 2.826 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909767842 727373226 /nfs/dbraw/zinc/37/32/26/727373226.db2.gz QVYZRJBMFWCTOF-GXFFZTMASA-N -1 0 345.317 2.738 20 30 EFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000909768703 727373435 /nfs/dbraw/zinc/37/34/35/727373435.db2.gz WBTVCZLCKZYTFP-CXAGYDPISA-N -1 0 327.380 2.715 20 30 EFEDRM C=CCOC[C@@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC000909770314 727373557 /nfs/dbraw/zinc/37/35/57/727373557.db2.gz FDXRWGBJRZGENH-WMLDXEAASA-N -1 0 348.443 2.837 20 30 EFEDRM C=C[C@@](C)(CCOC)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000909831359 727383208 /nfs/dbraw/zinc/38/32/08/727383208.db2.gz VDNRXYYIZOQMBA-BXWFABGCSA-N -1 0 331.412 2.542 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)OCC ZINC000909831381 727383692 /nfs/dbraw/zinc/38/36/92/727383692.db2.gz VHGOFYAQTKZADQ-ULQDDVLXSA-N -1 0 331.412 2.685 20 30 EFEDRM C=C(C)[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)OCC ZINC000909818943 727383762 /nfs/dbraw/zinc/38/37/62/727383762.db2.gz FGVHDYAZKFHEJR-VQIMIIECSA-N -1 0 349.427 2.873 20 30 EFEDRM C=C(C)[C@H](CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])OCC ZINC000909819963 727383963 /nfs/dbraw/zinc/38/39/63/727383963.db2.gz LKYQIKRCLCRXCR-XIRDDKMYSA-N -1 0 333.428 2.806 20 30 EFEDRM C#CC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)C(=O)[O-] ZINC000910052517 727406022 /nfs/dbraw/zinc/40/60/22/727406022.db2.gz ABVVIPRYTULEMY-INIZCTEOSA-N -1 0 339.395 2.510 20 30 EFEDRM C#CC[C@@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910053511 727406049 /nfs/dbraw/zinc/40/60/49/727406049.db2.gz AUSMPSMWURBMLJ-AORWBKJGSA-N -1 0 325.286 2.701 20 30 EFEDRM C#CC[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000910052441 727406052 /nfs/dbraw/zinc/40/60/52/727406052.db2.gz XWUPPNVVYMSJMJ-LLVKDONJSA-N -1 0 344.194 2.745 20 30 EFEDRM C#CC[C@H](NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)C(=O)[O-] ZINC000910052763 727406089 /nfs/dbraw/zinc/40/60/89/727406089.db2.gz IALISZLQPPZCBM-AWEZNQCLSA-N -1 0 342.420 2.562 20 30 EFEDRM C#CC[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000910052654 727406105 /nfs/dbraw/zinc/40/61/05/727406105.db2.gz DUQKSFIQRBMQIM-MFKMUULPSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910054419 727406134 /nfs/dbraw/zinc/40/61/34/727406134.db2.gz NQSPZFOUXFJKNN-CHWSQXEVSA-N -1 0 327.302 2.792 20 30 EFEDRM C#CC[C@H](NC(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C(=O)[O-] ZINC000910054071 727406168 /nfs/dbraw/zinc/40/61/68/727406168.db2.gz IPVCKLQMYQUYTA-HNNXBMFYSA-N -1 0 342.395 2.575 20 30 EFEDRM C#CC[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000910047137 727407967 /nfs/dbraw/zinc/40/79/67/727407967.db2.gz YWOJOSSQTNKXMI-ZDUSSCGKSA-N -1 0 327.302 2.621 20 30 EFEDRM C#CC[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000910048299 727408105 /nfs/dbraw/zinc/40/81/05/727408105.db2.gz IIPRJUBUKHYCKT-FLVLSHQESA-N -1 0 327.380 2.614 20 30 EFEDRM C=CCCOCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910087646 727411037 /nfs/dbraw/zinc/41/10/37/727411037.db2.gz QPYVOGZFFOJAOG-UHFFFAOYSA-N -1 0 342.189 2.987 20 30 EFEDRM C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)OCC ZINC000910102030 727412419 /nfs/dbraw/zinc/41/24/19/727412419.db2.gz JVVCVSHDPGDGIK-OLZOCXBDSA-N -1 0 338.429 2.876 20 30 EFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910251330 727424023 /nfs/dbraw/zinc/42/40/23/727424023.db2.gz IXHQOCQKBOFMPF-XIKOKIGWSA-N -1 0 342.395 2.506 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)cc(OC)c1)C(=O)[O-] ZINC000910291809 727430713 /nfs/dbraw/zinc/43/07/13/727430713.db2.gz BFYUGAVAXNGLDA-LBPRGKRZSA-N -1 0 342.189 2.607 20 30 EFEDRM C=C(C)C[C@H](NC(=O)c1ccc(OCCOC)cc1Cl)C(=O)[O-] ZINC000910295054 727431035 /nfs/dbraw/zinc/43/10/35/727431035.db2.gz UHJOILFPHDMOTJ-AWEZNQCLSA-N -1 0 341.791 2.514 20 30 EFEDRM C=CCCC[C@H](C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1ccccc1 ZINC000910348973 727435967 /nfs/dbraw/zinc/43/59/67/727435967.db2.gz NCSYHEOIRDKODG-IXDOHACOSA-N -1 0 331.412 2.732 20 30 EFEDRM C#CCCCC(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000910378467 727437316 /nfs/dbraw/zinc/43/73/16/727437316.db2.gz DALHPMDHDQLQBR-CYBMUJFWSA-N -1 0 343.301 2.501 20 30 EFEDRM C#CCCCC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000910378469 727437390 /nfs/dbraw/zinc/43/73/90/727437390.db2.gz DALHPMDHDQLQBR-ZDUSSCGKSA-N -1 0 343.301 2.501 20 30 EFEDRM COc1ccccc1C[C@H](CNc1ccc(C#N)c(C)n1)C(=O)[O-] ZINC000910455378 727442586 /nfs/dbraw/zinc/44/25/86/727442586.db2.gz GZLBDJNPEWCNGN-OAHLLOKOSA-N -1 0 325.368 2.626 20 30 EFEDRM C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910577334 727451512 /nfs/dbraw/zinc/45/15/12/727451512.db2.gz BLSXKBRNQLTOOH-WFASDCNBSA-N -1 0 331.368 2.526 20 30 EFEDRM C=CCc1cc(C(=O)NCC(C)(C)CC(=O)[O-])cc(OC)c1OC ZINC000910824503 727466455 /nfs/dbraw/zinc/46/64/55/727466455.db2.gz RUWIKGOKKNPTMP-UHFFFAOYSA-N -1 0 335.400 2.663 20 30 EFEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(=O)[O-] ZINC000910914164 727471707 /nfs/dbraw/zinc/47/17/07/727471707.db2.gz IOOFIJHNNCIFIA-MRXNPFEDSA-N -1 0 330.384 2.645 20 30 EFEDRM C=CCCC[C@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000910913441 727471716 /nfs/dbraw/zinc/47/17/16/727471716.db2.gz WUHPLIXJSGYABH-HNNXBMFYSA-N -1 0 344.415 2.860 20 30 EFEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000910925674 727472394 /nfs/dbraw/zinc/47/23/94/727472394.db2.gz NIEHIALKVRWJJH-IMJJTQAJSA-N -1 0 347.411 2.733 20 30 EFEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1C)C(=O)[O-] ZINC000910926511 727472465 /nfs/dbraw/zinc/47/24/65/727472465.db2.gz UDLNWWRFITUBGL-OAHLLOKOSA-N -1 0 345.374 2.859 20 30 EFEDRM C=C[C@@H](CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000911586260 727565928 /nfs/dbraw/zinc/56/59/28/727565928.db2.gz VDNPDYJBTVABLU-SWLSCSKDSA-N -1 0 329.400 2.926 20 30 EFEDRM C=C(C)[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccc(F)c(F)c1 ZINC000911678889 727580684 /nfs/dbraw/zinc/58/06/84/727580684.db2.gz NNXILWRVOVRDBA-ZAOWEBSESA-N -1 0 339.338 2.576 20 30 EFEDRM C=CCC(CC=C)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC000911763971 727594761 /nfs/dbraw/zinc/59/47/61/727594761.db2.gz XQJULLMLWHQKHI-UHFFFAOYSA-N -1 0 334.441 2.863 20 30 EFEDRM Cc1c(C(=O)[O-])oc2c1C(=NNC(=S)NCCC(C)C)CCC2 ZINC000915952259 727642277 /nfs/dbraw/zinc/64/22/77/727642277.db2.gz UWPUNOMFFKRAIR-UHFFFAOYSA-N -1 0 337.445 2.837 20 30 EFEDRM O=C1c2ccccc2C(=O)N1N=Cc1cccc(Br)c1[O-] ZINC000915936420 727642870 /nfs/dbraw/zinc/64/28/70/727642870.db2.gz NFPIQAVZMPVSMN-UHFFFAOYSA-N -1 0 345.152 2.785 20 30 EFEDRM COc1ccc(C(=O)/C=C\c2cccc3c2OCO3)cc1CC(=O)[O-] ZINC000915985285 727645850 /nfs/dbraw/zinc/64/58/50/727645850.db2.gz KVOGVAZUENORPW-ALCCZGGFSA-N -1 0 340.331 2.947 20 30 EFEDRM COc1cccc2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)oc21 ZINC000916136890 727659884 /nfs/dbraw/zinc/65/98/84/727659884.db2.gz BXVHBQPZLGBXHT-MOEXGYKKSA-N -1 0 326.304 2.670 20 30 EFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OC(C)=O ZINC000916240447 727668329 /nfs/dbraw/zinc/66/83/29/727668329.db2.gz CJIDICUWXHBAPC-UHFFFAOYSA-N -1 0 328.324 2.765 20 30 EFEDRM COc1cc(C=NNc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000916269140 727672436 /nfs/dbraw/zinc/67/24/36/727672436.db2.gz TYLHQMQIKQGZPO-UHFFFAOYSA-N -1 0 332.272 2.663 20 30 EFEDRM C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000916276070 727672784 /nfs/dbraw/zinc/67/27/84/727672784.db2.gz ITSNWTHCQYEMFM-ZYHUDNBSSA-N -1 0 336.417 2.677 20 30 EFEDRM Cc1nnc(NN=Cc2ccc(OCc3ccccc3)cc2)[n-]c1=O ZINC000916282598 727673477 /nfs/dbraw/zinc/67/34/77/727673477.db2.gz JMAIIFIOCKLNMM-UHFFFAOYSA-N -1 0 335.367 2.911 20 30 EFEDRM Cc1sc2ncn(N=Cc3ccc([O-])c([N+](=O)[O-])c3)c(=O)c2c1C ZINC000916310715 727676007 /nfs/dbraw/zinc/67/60/07/727676007.db2.gz FUJOAMBRUORKTJ-UHFFFAOYSA-N -1 0 344.352 2.571 20 30 EFEDRM COc1cc(C=NNc2ncnc3sccc32)cc([N+](=O)[O-])c1[O-] ZINC000916368087 727679767 /nfs/dbraw/zinc/67/97/67/727679767.db2.gz GMLIIHVMMSQQQO-UHFFFAOYSA-N -1 0 345.340 2.760 20 30 EFEDRM COCc1c(C([O-])=C(C#N)C(=O)NC2CC2)sc2cccc(F)c21 ZINC000129441585 727730333 /nfs/dbraw/zinc/73/03/33/727730333.db2.gz MZSLMIKLXKYZEB-JTQLQIEISA-N -1 0 346.383 2.788 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000916752475 727735726 /nfs/dbraw/zinc/73/57/26/727735726.db2.gz GSRXWGVNXJMRKS-UHFFFAOYSA-N -1 0 331.393 2.679 20 30 EFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000916784561 727736314 /nfs/dbraw/zinc/73/63/14/727736314.db2.gz UJLNGRNSJYPZIY-WYMLVPIESA-N -1 0 343.404 2.982 20 30 EFEDRM CCCCCCCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000916824417 727737858 /nfs/dbraw/zinc/73/78/58/727737858.db2.gz NIJZYVBFRIFCNJ-UHFFFAOYSA-N -1 0 326.462 2.840 20 30 EFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1 ZINC000916876111 727740532 /nfs/dbraw/zinc/74/05/32/727740532.db2.gz OXNOMUNOUXTPBO-CQSZACIVSA-N -1 0 326.400 2.662 20 30 EFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916890459 727740799 /nfs/dbraw/zinc/74/07/99/727740799.db2.gz HZFXZMWUZSWHGW-JTQLQIEISA-N -1 0 336.800 2.640 20 30 EFEDRM Cc1ccnn1-c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917041706 727756287 /nfs/dbraw/zinc/75/62/87/727756287.db2.gz NCZUOGVVCRZFBM-KRWDZBQOSA-N -1 0 336.395 2.562 20 30 EFEDRM Cc1ccnn1-c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000917041707 727756393 /nfs/dbraw/zinc/75/63/93/727756393.db2.gz NCZUOGVVCRZFBM-QGZVFWFLSA-N -1 0 336.395 2.562 20 30 EFEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000917044592 727756596 /nfs/dbraw/zinc/75/65/96/727756596.db2.gz LKOXVBTUKQWUAT-HNNXBMFYSA-N -1 0 336.395 2.766 20 30 EFEDRM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1cccs1 ZINC000917031558 727756995 /nfs/dbraw/zinc/75/69/95/727756995.db2.gz WZURYZAMPCGASY-UHFFFAOYSA-N -1 0 348.409 2.967 20 30 EFEDRM Cc1ccc(C=Nn2c(SCC(=O)[O-])nnc2-c2ccoc2C)o1 ZINC000917032912 727757032 /nfs/dbraw/zinc/75/70/32/727757032.db2.gz XJFKKJRDHNIIAB-UHFFFAOYSA-N -1 0 346.368 2.807 20 30 EFEDRM C=CCC1(C(=O)Nc2nccc(Br)c2[O-])CCOCC1 ZINC000913025129 727769804 /nfs/dbraw/zinc/76/98/04/727769804.db2.gz JKQRPMIETGRIDJ-UHFFFAOYSA-N -1 0 341.205 2.861 20 30 EFEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CCC1 ZINC000151067971 727773000 /nfs/dbraw/zinc/77/30/00/727773000.db2.gz DEHOBNWISDMDDU-UHFFFAOYSA-N -1 0 334.441 2.721 20 30 EFEDRM C=CCCSCCNS(=O)(=O)c1cc(F)c(OC)cc1F ZINC000917233727 727788749 /nfs/dbraw/zinc/78/87/49/727788749.db2.gz QCQWURGEXLWASJ-UHFFFAOYSA-N -1 0 337.413 2.561 20 30 EFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000129558574 727903064 /nfs/dbraw/zinc/90/30/64/727903064.db2.gz RUBJEINUIFBMND-INIZCTEOSA-N -1 0 340.404 2.928 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)cc2C)cc1 ZINC000156355299 727910714 /nfs/dbraw/zinc/91/07/14/727910714.db2.gz LGLMBMCSBCJKRT-KRWDZBQOSA-N -1 0 340.354 2.782 20 30 EFEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129601528 727942927 /nfs/dbraw/zinc/94/29/27/727942927.db2.gz YUWNGFCZOQCUIE-AWEZNQCLSA-N -1 0 339.420 2.643 20 30 EFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000183130793 727969069 /nfs/dbraw/zinc/96/90/69/727969069.db2.gz YJNCUAHDRICETB-LBPRGKRZSA-N -1 0 344.392 2.713 20 30 EFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000183130810 727969157 /nfs/dbraw/zinc/96/91/57/727969157.db2.gz YJNCUAHDRICETB-GFCCVEGCSA-N -1 0 344.392 2.713 20 30 EFEDRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183135809 727975314 /nfs/dbraw/zinc/97/53/14/727975314.db2.gz MHTCGDZOMGPARG-JTQLQIEISA-N -1 0 338.410 2.848 20 30 EFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OC1CCCC1 ZINC000130999454 727982492 /nfs/dbraw/zinc/98/24/92/727982492.db2.gz LMXYMVSWYHAORU-HNNXBMFYSA-N -1 0 344.411 2.864 20 30 EFEDRM C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000165280329 728028248 /nfs/dbraw/zinc/02/82/48/728028248.db2.gz UIOSTWBECWLFTC-UHFFFAOYSA-N -1 0 349.452 2.579 20 30 EFEDRM CNC(=O)C(C#N)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165589998 728058268 /nfs/dbraw/zinc/05/82/68/728058268.db2.gz LFGBXWFBUHOGQS-VIFPVBQESA-N -1 0 349.106 2.536 20 30 EFEDRM O=C(COCCc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000057740122 728102906 /nfs/dbraw/zinc/10/29/06/728102906.db2.gz XNGTWEVFPGNVDV-UHFFFAOYSA-N -1 0 325.411 2.653 20 30 EFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)c1Cl ZINC000058055178 728132346 /nfs/dbraw/zinc/13/23/46/728132346.db2.gz AHPRPPFVBBMZSP-UHFFFAOYSA-N -1 0 341.820 2.697 20 30 EFEDRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000058071826 728136966 /nfs/dbraw/zinc/13/69/66/728136966.db2.gz JIXLCHZLVZLWQS-UHFFFAOYSA-N -1 0 347.440 2.899 20 30 EFEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1cccs1 ZINC000058113576 728144593 /nfs/dbraw/zinc/14/45/93/728144593.db2.gz UVDVLCZRNXUXBN-UHFFFAOYSA-N -1 0 333.394 2.627 20 30 EFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000131014764 728154112 /nfs/dbraw/zinc/15/41/12/728154112.db2.gz CCGMTOSKFUDLIX-AWEZNQCLSA-N -1 0 344.802 2.681 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Oc2nccs2)c1 ZINC000130969384 728163721 /nfs/dbraw/zinc/16/37/21/728163721.db2.gz ILQZXFHTEARESA-CQSZACIVSA-N -1 0 341.392 2.880 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000046929920 728324930 /nfs/dbraw/zinc/32/49/30/728324930.db2.gz ZRYOQXFOCTYJJZ-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1[N+](=O)[O-] ZINC000046928084 728325653 /nfs/dbraw/zinc/32/56/53/728325653.db2.gz MXIDXRHWQPFKQF-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000046927616 728325695 /nfs/dbraw/zinc/32/56/95/728325695.db2.gz BTBZPWMERDHWQK-UHFFFAOYSA-N -1 0 334.353 2.873 20 30 EFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000046927521 728325769 /nfs/dbraw/zinc/32/57/69/728325769.db2.gz OEXJDAGWNZNCFD-UHFFFAOYSA-N -1 0 334.353 2.905 20 30 EFEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000046927665 728325829 /nfs/dbraw/zinc/32/58/29/728325829.db2.gz CMCMQIQYEOTBPN-UHFFFAOYSA-N -1 0 342.279 2.567 20 30 EFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000171329402 728529935 /nfs/dbraw/zinc/52/99/35/728529935.db2.gz WLABAILKPOOIPR-SECBINFHSA-N -1 0 349.362 2.935 20 30 EFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)[nH]1 ZINC000171796745 728553689 /nfs/dbraw/zinc/55/36/89/728553689.db2.gz TXDMJIDJYBCJOP-OAHLLOKOSA-N -1 0 339.395 2.547 20 30 EFEDRM N#Cc1ccc(CN(C(=O)c2n[n-]c3ccccc3c2=O)C2CC2)cc1 ZINC000171862549 728557897 /nfs/dbraw/zinc/55/78/97/728557897.db2.gz REWVBBIENKINKM-UHFFFAOYSA-N -1 0 344.374 2.600 20 30 EFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1nccc2ccccc21 ZINC000172020375 728563094 /nfs/dbraw/zinc/56/30/94/728563094.db2.gz ICTZHTCNLAPJTR-KRWDZBQOSA-N -1 0 329.359 2.874 20 30 EFEDRM CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172313758 728581065 /nfs/dbraw/zinc/58/10/65/728581065.db2.gz CZSSPNQZPWRPJO-UHFFFAOYSA-N -1 0 342.420 2.632 20 30 EFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1NC(=O)CC(C)C ZINC000173975213 728643473 /nfs/dbraw/zinc/64/34/73/728643473.db2.gz GXAAYQGFADMMOF-OAHLLOKOSA-N -1 0 341.411 2.581 20 30 EFEDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000064100410 728670626 /nfs/dbraw/zinc/67/06/26/728670626.db2.gz LVXLBHJVIIAPEY-UHFFFAOYSA-N -1 0 335.429 2.787 20 30 EFEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000130627318 728950639 /nfs/dbraw/zinc/95/06/39/728950639.db2.gz GLOTWZOUNLHJMO-NSHDSACASA-N -1 0 338.791 2.594 20 30 EFEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000069616651 729061232 /nfs/dbraw/zinc/06/12/32/729061232.db2.gz CQVJUMVMSQWKBV-OAHLLOKOSA-N -1 0 330.365 2.591 20 30 EFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000155060763 729074101 /nfs/dbraw/zinc/07/41/01/729074101.db2.gz OMHHKHPOIBDWKI-CQSZACIVSA-N -1 0 344.317 2.612 20 30 EFEDRM Cc1cc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)no1 ZINC000920105409 729142557 /nfs/dbraw/zinc/14/25/57/729142557.db2.gz GBKIQBJGLHTXGQ-ZDUSSCGKSA-N -1 0 337.335 2.743 20 30 EFEDRM CCOC(=O)[C@@H](Cc1ccccc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000920175074 729157502 /nfs/dbraw/zinc/15/75/02/729157502.db2.gz SYIXFXBCXMGYIE-BKAYVGFPSA-N -1 0 342.351 2.894 20 30 EFEDRM O=C([O-])c1ccc(NN=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000920359711 729175858 /nfs/dbraw/zinc/17/58/58/729175858.db2.gz QGJPIFWMLRQQCW-UHFFFAOYSA-N -1 0 343.295 2.510 20 30 EFEDRM C#CCCOc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000920370951 729176847 /nfs/dbraw/zinc/17/68/47/729176847.db2.gz PKCABVRHRBZWRF-UHFFFAOYSA-N -1 0 349.415 2.970 20 30 EFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3c2CCC3)n1 ZINC000920678984 729216039 /nfs/dbraw/zinc/21/60/39/729216039.db2.gz WAMSFHACONLVNR-OAHLLOKOSA-N -1 0 340.404 2.974 20 30 EFEDRM CC(C)n1cc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)nn1 ZINC000901529383 729274523 /nfs/dbraw/zinc/27/45/23/729274523.db2.gz KYXICFWDGOOWAX-OJIASSBASA-N -1 0 329.356 2.607 20 30 EFEDRM Cc1ccc(-c2nc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)co2)cc1 ZINC000175316043 729494085 /nfs/dbraw/zinc/49/40/85/729494085.db2.gz VKKMAUNBMXWGEM-IWAYRVGRSA-N -1 0 337.331 2.878 20 30 EFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000064666858 729507528 /nfs/dbraw/zinc/50/75/28/729507528.db2.gz OYONHWOCTLAIQH-SNVBAGLBSA-N -1 0 326.374 2.817 20 30 EFEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)c1C ZINC000175685289 729516146 /nfs/dbraw/zinc/51/61/46/729516146.db2.gz QWNUUMIABYQHNI-UHFFFAOYSA-N -1 0 347.352 2.590 20 30 EFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000179787855 729626240 /nfs/dbraw/zinc/62/62/40/729626240.db2.gz OTUGXBIDDCPVJE-MRXNPFEDSA-N -1 0 341.411 2.738 20 30 EFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cn3cccn3)c2)c1 ZINC000238200112 729743170 /nfs/dbraw/zinc/74/31/70/729743170.db2.gz RMNIKDOWGKANEV-UHFFFAOYSA-N -1 0 345.358 2.620 20 30 EFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1F ZINC000180519064 729758178 /nfs/dbraw/zinc/75/81/78/729758178.db2.gz SGOZOJLPMQSNRC-UHFFFAOYSA-N -1 0 338.335 2.976 20 30 EFEDRM